*HEADER    TOXIN                                   16-JUN-01   1JE9              
*TITLE     NMR SOLUTION STRUCTURE OF NT2                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SHORT NEUROTOXIN II;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SHORT NEUROTOXIN 1 - MONOCLED COBRA                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA KAOUTHIA;                                  
*SOURCE   3 ORGANISM_COMMON: MONOCLED COBRA                                      
*KEYWDS    ALL BETA SHEET PROTEIN, POSTSYNAPTIC NEUROTOXIN, VEONM                
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    Y.CHENG, W.WANG, J.WANG                                               
*REVDAT   1   17-JUN-03 1JE9    0                                                

assign ( resi   1 and name ha   ) ( resi   1 and name hb#  ) 2.83 1.03 1.67
assign ( resi   1 and name ha   ) ( resi   1 and name hd1# ) 3.46 1.66 1.04
assign ( resi   1 and name ha   ) ( resi   1 and name hd2# ) 2.69 0.89 1.01
assign ( resi   1 and name ha   ) ( resi   1 and name hg   ) 3.30 1.5  0.2
assign ( resi   1 and name hb#  ) ( resi   1 and name hd1# ) 2.47 0.67 1.23
assign ( resi   1 and name hb#  ) ( resi   1 and name hd2# ) 2.63 0.83 1.07
assign ( resi   1 and name hb#  ) ( resi   1 and name hg   ) 3.26 1.46 1.24
assign ( resi   1 and name hg   ) ( resi   1 and name hd1# ) 2.53 0.73 1.17
assign ( resi   1 and name hg   ) ( resi   1 and name hd2# ) 2.50 0.7  1.2
assign ( resi   2 and name ha   ) ( resi   2 and name hb#  ) 2.89 1.09 1.61
assign ( resi   2 and name ha   ) ( resi   2 and name hg1  ) 3.48 1.68 0.02
assign ( resi   2 and name ha   ) ( resi   2 and name hg2  ) 4.00 2.2  1
assign ( resi   2 and name ha   ) ( resi  16 and name ha   ) 2.96 1.16 0.54
assign ( resi   2 and name ha   ) ( resi  16 and name hg2# ) 3.92 2.12 2.08
assign ( resi   2 and name hn   ) ( resi   1 and name ha   ) 2.60 0.8  0.1
assign ( resi   2 and name hn   ) ( resi   1 and name hb#  ) 3.36 1.56 1.14
assign ( resi   2 and name hn   ) ( resi   1 and name hd2# ) 2.88 1.08 1.62
assign ( resi   2 and name hn   ) ( resi   1 and name hg   ) 3.42 1.62 0.08
assign ( resi   2 and name hn   ) ( resi   2 and name hb#  ) 2.91 1.11 1.59
assign ( resi   2 and name hn   ) ( resi   2 and name hg1  ) 4.19 2.39 0.81
assign ( resi   3 and name ha   ) ( resi   3 and name hb1  ) 3.15 1.35 0.35
assign ( resi   3 and name ha   ) ( resi   3 and name hb2  ) 3.50 1.7  1.5
assign ( resi   3 and name ha   ) ( resi  58 and name ha   ) 3.23 1.43 0.27
assign ( resi   3 and name hb1  ) ( resi   3 and name hb2  ) 2.50 0.7  0.2
assign ( resi   3 and name hn   ) ( resi   2 and name ha   ) 2.56 0.76 0.14
assign ( resi   3 and name hn   ) ( resi   2 and name hb#  ) 3.20 1.4  1.3
assign ( resi   3 and name hn   ) ( resi   2 and name hg1  ) 4.25 2.45 0.75
assign ( resi   3 and name hn   ) ( resi   2 and name hg2  ) 4.38 2.58 0.62
assign ( resi   3 and name hn   ) ( resi   3 and name hb1  ) 3.00 1.2  0.5
assign ( resi   3 and name hn   ) ( resi   3 and name hb2  ) 3.25 1.45 0.25
assign ( resi   4 and name ha   ) ( resi   4 and name hb1  ) 3.53 1.73 1.47
assign ( resi   4 and name ha   ) ( resi   4 and name hb2  ) 3.68 1.88 1.32
assign ( resi   4 and name hb1  ) ( resi   4 and name hb2  ) 2.69 0.89 0.01
assign ( resi   4 and name hd2  ) ( resi   4 and name hb1  ) 3.91 2.11 1.09
assign ( resi   4 and name hd2  ) ( resi   4 and name hb2  ) 3.49 1.69 0.00
assign ( resi   4 and name hd2  ) ( resi  58 and name ha   ) 3.31 1.51 0.19
assign ( resi   4 and name hd2  ) ( resi  58 and name hb1  ) 3.57 1.77 1.43
assign ( resi   4 and name hd2  ) ( resi  58 and name hb2  ) 3.78 1.98 1.22
assign ( resi   4 and name hd2  ) ( resi  58 and name hd1  ) 4.92 3.12 0.08
assign ( resi   4 and name hd2  ) ( resi  58 and name hg1  ) 4.37 2.57 0.63
assign ( resi   4 and name hd2  ) ( resi  58 and name hg2  ) 4.44 2.64 0.56
assign ( resi   4 and name hd2  ) ( resi  61 and name ha   ) 3.17 1.37 0.33
assign ( resi   4 and name hd2  ) ( resi  61 and name hb1  ) 3.45 1.65 0.04
assign ( resi   4 and name hd2  ) ( resi  61 and name hb2  ) 3.48 1.68 0.02
assign ( resi   4 and name he1  ) ( resi   4 and name hd2  ) 5.00 3.2  0
assign ( resi   4 and name he1  ) ( resi  14 and name hb   ) 4.31 2.51 0.69
assign ( resi   4 and name he1  ) ( resi  14 and name hg2# ) 3.51 1.71 2.49
assign ( resi   4 and name he1  ) ( resi  58 and name hd1  ) 3.90 2.1  1.1
assign ( resi   4 and name he1  ) ( resi  58 and name hd2  ) 3.93 2.13 1.07
assign ( resi   4 and name he1  ) ( resi  58 and name hg1  ) 4.44 2.64 0.56
assign ( resi   4 and name he1  ) ( resi  58 and name hg2  ) 4.26 2.46 0.74
assign ( resi   4 and name hn   ) ( resi   3 and name ha   ) 3.21 1.41 0.29
assign ( resi   4 and name hn   ) ( resi   3 and name hb1  ) 3.65 1.85 1.35
assign ( resi   4 and name hn   ) ( resi   3 and name hb2  ) 4.11 2.31 0.89
assign ( resi   4 and name hn   ) ( resi   3 and name hn   ) 4.56 2.76 0.44
assign ( resi   4 and name hn   ) ( resi   4 and name ha   ) 4.54 2.74 0.46
assign ( resi   4 and name hn   ) ( resi   4 and name hb1  ) 3.73 1.93 1.27
assign ( resi   4 and name hn   ) ( resi   4 and name hb2  ) 3.27 1.47 0.23
assign ( resi   4 and name hn   ) ( resi   4 and name hd2  ) 4.12 2.32 0.88
assign ( resi   4 and name hn   ) ( resi  58 and name ha   ) 3.56 1.76 1.44
assign ( resi   4 and name hn   ) ( resi  58 and name hn   ) 4.92 3.12 0.08
assign ( resi   4 and name hn   ) ( resi  60 and name hd21 ) 4.06 2.26 0.94
assign ( resi   4 and name hn   ) ( resi  60 and name hd22 ) 3.53 1.73 1.47
assign ( resi   5 and name ha   ) ( resi   5 and name hb1  ) 2.69 0.89 0.01
assign ( resi   5 and name ha   ) ( resi   5 and name hb2  ) 2.55 0.75 0.15
assign ( resi   5 and name hb2  ) ( resi   5 and name hb1  ) 2.58 0.78 0.12
assign ( resi   5 and name hd21 ) ( resi   5 and name hb1  ) 3.75 1.95 1.25
assign ( resi   5 and name hd21 ) ( resi   5 and name hb2  ) 3.35 1.55 0.15
assign ( resi   5 and name hd21 ) ( resi   5 and name hd22 ) 2.37 0.57 0.33
assign ( resi   5 and name hd22 ) ( resi   5 and name hb2  ) 3.79 1.99 1.21
assign ( resi   5 and name hn   ) ( resi   4 and name ha   ) 3.27 1.47 0.23
assign ( resi   5 and name hn   ) ( resi   4 and name hb1  ) 3.98 2.18 1.02
assign ( resi   5 and name hn   ) ( resi   5 and name hb2  ) 4.42 2.62 0.58
assign ( resi   6 and name ha   ) ( resi   6 and name hb#  ) 2.76 0.96 1.74
assign ( resi   6 and name ha   ) ( resi   6 and name hg#  ) 2.95 1.15 1.55
assign ( resi   6 and name he21 ) ( resi   6 and name hb#  ) 3.28 1.48 1.22
assign ( resi   6 and name he21 ) ( resi   6 and name he22 ) 2.55 0.75 0.15
assign ( resi   6 and name he21 ) ( resi  12 and name ha   ) 3.89 2.09 1.11
assign ( resi   6 and name he21 ) ( resi  12 and name hg1  ) 3.66 1.86 1.34
assign ( resi   6 and name he22 ) ( resi   6 and name hb#  ) 3.44 1.64 1.06
assign ( resi   6 and name he22 ) ( resi  12 and name ha   ) 3.84 2.04 1.16
assign ( resi   6 and name he22 ) ( resi  61 and name ha   ) 4.96 3.16 0.04
assign ( resi   6 and name hg#  ) ( resi   6 and name hb#  ) 2.45 0.65 1.25
assign ( resi   6 and name hn   ) ( resi   4 and name ha   ) 4.39 2.59 0.61
assign ( resi   6 and name hn   ) ( resi   4 and name hb1  ) 3.83 2.03 1.17
assign ( resi   6 and name hn   ) ( resi   4 and name hb2  ) 4.67 2.87 0.33
assign ( resi   6 and name hn   ) ( resi   5 and name hb1  ) 4.65 2.85 0.35
assign ( resi   6 and name hn   ) ( resi   5 and name hb2  ) 4.20 2.4  0.8
assign ( resi   6 and name hn   ) ( resi   5 and name hn   ) 3.16 1.36 0.34
assign ( resi   6 and name hn   ) ( resi   6 and name ha   ) 3.39 1.59 0.11
assign ( resi   6 and name hn   ) ( resi   6 and name hb#  ) 3.34 1.54 1.16
assign ( resi   6 and name hn   ) ( resi   6 and name hg#  ) 3.38 1.58 1.12
assign ( resi   6 and name hn   ) ( resi   7 and name hn   ) 4.17 2.37 0.83
assign ( resi   6 and name hn   ) ( resi  13 and name hn   ) 3.82 2.02 1.18
assign ( resi   6 and name hn   ) ( resi  38 and name hb1  ) 4.52 2.72 0.48
assign ( resi   7 and name ha   ) ( resi   7 and name hb1  ) 3.36 1.56 0.14
assign ( resi   7 and name ha   ) ( resi   7 and name hb2  ) 3.03 1.23 0.47
assign ( resi   7 and name ha   ) ( resi   7 and name hg#  ) 3.20 1.4  1.3
assign ( resi   7 and name he21 ) ( resi   7 and name he22 ) 2.21 0.41 0.49
assign ( resi   7 and name he21 ) ( resi   7 and name hg#  ) 3.58 1.78 2.42
assign ( resi   7 and name hn   ) ( resi   6 and name ha   ) 2.74 0.94 0.76
assign ( resi   7 and name hn   ) ( resi   6 and name hb#  ) 3.30 1.5  1.2
assign ( resi   7 and name hn   ) ( resi   6 and name hg#  ) 3.63 1.83 2.37
assign ( resi   7 and name hn   ) ( resi   7 and name hb1  ) 2.94 1.14 0.56
assign ( resi   7 and name hn   ) ( resi   7 and name hb2  ) 3.43 1.63 0.06
assign ( resi   7 and name hn   ) ( resi   7 and name hg#  ) 3.38 1.58 1.12
assign ( resi   8 and name hb2  ) ( resi   8 and name ha   ) 3.66 1.86 1.34
assign ( resi   8 and name hb2  ) ( resi   8 and name hb1  ) 2.67 0.87 0.03
assign ( resi   8 and name hn   ) ( resi   7 and name hb1  ) 4.45 2.65 0.55
assign ( resi   8 and name hn   ) ( resi   7 and name hb2  ) 3.81 2.01 1.19
assign ( resi   8 and name hn   ) ( resi   7 and name hg#  ) 4.42 2.62 1.58
assign ( resi   8 and name hn   ) ( resi   8 and name ha   ) 3.10 1.3  0.4
assign ( resi   8 and name hn   ) ( resi   8 and name hb1  ) 4.28 2.48 0.72
assign ( resi   8 and name hn   ) ( resi   8 and name hb2  ) 4.47 2.67 0.53
assign ( resi   8 and name hn   ) ( resi   9 and name hn   ) 4.81 3.01 0.19
assign ( resi   8 and name hn   ) ( resi  36 and name hd1# ) 4.01 2.21 1.99
assign ( resi   8 and name hn   ) ( resi  36 and name hg1# ) 3.18 1.38 1.32
assign ( resi   8 and name hn   ) ( resi  36 and name hg2# ) 3.55 1.75 2.45
assign ( resi   8 and name hn   ) ( resi  36 and name hn   ) 3.48 1.68 0.02
assign ( resi   9 and name ha   ) ( resi   9 and name hb#  ) 2.68 0.88 1.02
assign ( resi   9 and name hn   ) ( resi   8 and name ha   ) 3.76 1.96 1.24
assign ( resi   9 and name hn   ) ( resi   8 and name hb2  ) 2.80 1    0.7
assign ( resi   9 and name hn   ) ( resi   9 and name ha   ) 3.66 1.86 1.34
assign ( resi   9 and name hn   ) ( resi   9 and name hb#  ) 2.72 0.92 1.78
assign ( resi   9 and name hn   ) ( resi  10 and name hn   ) 2.83 1.03 0.67
assign ( resi  10 and name ha   ) ( resi  10 and name hb1  ) 2.80 1    0.7
assign ( resi  10 and name ha   ) ( resi  10 and name hb2  ) 3.03 1.23 0.47
assign ( resi  10 and name ha   ) ( resi  10 and name hg1  ) 2.94 1.14 0.56
assign ( resi  10 and name ha   ) ( resi  10 and name hg2  ) 3.04 1.24 0.46
assign ( resi  10 and name hb1  ) ( resi  10 and name hb2  ) 2.34 0.54 0.36
assign ( resi  10 and name he21 ) ( resi  10 and name he22 ) 2.19 0.39 0.51
assign ( resi  10 and name he21 ) ( resi  10 and name hg1  ) 4.07 2.27 0.93
assign ( resi  10 and name he21 ) ( resi  10 and name hg2  ) 3.93 2.13 1.07
assign ( resi  10 and name hg1  ) ( resi  10 and name hb1  ) 3.16 1.36 0.34
assign ( resi  10 and name hg1  ) ( resi  10 and name hb2  ) 2.93 1.13 0.57
assign ( resi  10 and name hg2  ) ( resi  10 and name hb1  ) 3.48 1.68 0.02
assign ( resi  10 and name hg2  ) ( resi  10 and name hb2  ) 2.60 0.8  0.1
assign ( resi  10 and name hg2  ) ( resi  10 and name hg1  ) 2.60 0.8  0.1
assign ( resi  10 and name hn   ) ( resi   9 and name ha   ) 3.90 2.1  1.1
assign ( resi  10 and name hn   ) ( resi   9 and name hb#  ) 3.71 1.91 2.29
assign ( resi  10 and name hn   ) ( resi  10 and name ha   ) 3.01 1.21 0.49
assign ( resi  10 and name hn   ) ( resi  10 and name hb1  ) 3.15 1.35 0.35
assign ( resi  10 and name hn   ) ( resi  10 and name hb2  ) 2.82 1.02 0.68
assign ( resi  10 and name hn   ) ( resi  10 and name hg1  ) 3.20 1.4  0.3
assign ( resi  10 and name hn   ) ( resi  10 and name hg2  ) 2.99 1.19 0.51
assign ( resi  11 and name ha   ) ( resi  11 and name hb#  ) 2.49 0.69 1.21
assign ( resi  11 and name ha   ) ( resi  12 and name hd1  ) 2.61 0.81 0.09
assign ( resi  11 and name ha   ) ( resi  12 and name hd2  ) 2.53 0.73 0.17
assign ( resi  11 and name ha   ) ( resi  12 and name hg2  ) 3.84 2.04 1.16
assign ( resi  11 and name hn   ) ( resi  10 and name ha   ) 2.61 0.81 0.09
assign ( resi  11 and name hn   ) ( resi  10 and name hb1  ) 3.04 1.24 0.46
assign ( resi  11 and name hn   ) ( resi  10 and name hb2  ) 3.40 1.6  0.1
assign ( resi  11 and name hn   ) ( resi  10 and name hg1  ) 3.88 2.08 1.12
assign ( resi  11 and name hn   ) ( resi  10 and name hg2  ) 4.14 2.34 0.86
assign ( resi  11 and name hn   ) ( resi  10 and name hn   ) 3.76 1.96 1.24
assign ( resi  11 and name hn   ) ( resi  11 and name ha   ) 3.24 1.44 0.26
assign ( resi  11 and name hn   ) ( resi  11 and name hb#  ) 2.53 0.73 1.17
assign ( resi  11 and name hn   ) ( resi  12 and name hd1  ) 4.34 2.54 0.66
assign ( resi  11 and name hn   ) ( resi  12 and name hd2  ) 4.16 2.36 0.84
assign ( resi  12 and name ha   ) ( resi  12 and name hb1  ) 3.18 1.38 0.32
assign ( resi  12 and name ha   ) ( resi  12 and name hb2  ) 3.73 1.93 1.27
assign ( resi  12 and name ha   ) ( resi  12 and name hg1  ) 2.64 0.84 0.06
assign ( resi  12 and name ha   ) ( resi  13 and name hg2# ) 3.73 1.93 2.27
assign ( resi  12 and name hd1  ) ( resi  11 and name hb#  ) 2.89 1.09 1.61
assign ( resi  12 and name hd1  ) ( resi  12 and name hg1  ) 2.74 0.94 0.76
assign ( resi  12 and name hd1  ) ( resi  12 and name hg2  ) 2.88 1.08 0.62
assign ( resi  12 and name hd2  ) ( resi  11 and name hb#  ) 2.99 1.19 1.51
assign ( resi  12 and name hd2  ) ( resi  12 and name hd1  ) 2.34 0.54 0.36
assign ( resi  12 and name hd2  ) ( resi  12 and name hg1  ) 2.76 0.96 0.74
assign ( resi  12 and name hd2  ) ( resi  12 and name hg2  ) 2.96 1.16 0.54
assign ( resi  12 and name hg2  ) ( resi  12 and name hg1  ) 2.33 0.53 0.37
assign ( resi  13 and name ha   ) ( resi  13 and name hb   ) 2.81 1.01 0.69
assign ( resi  13 and name ha   ) ( resi  13 and name hg2# ) 3.35 1.55 1.15
assign ( resi  13 and name hn   ) ( resi  12 and name ha   ) 2.71 0.91 0.79
assign ( resi  13 and name hn   ) ( resi  12 and name hb1  ) 3.90 2.1  1.1
assign ( resi  13 and name hn   ) ( resi  12 and name hb2  ) 3.49 1.69 0.00
assign ( resi  13 and name hn   ) ( resi  13 and name hb   ) 4.13 2.33 0.87
assign ( resi  13 and name hn   ) ( resi  13 and name hg2# ) 3.57 1.77 2.43
assign ( resi  14 and name ha   ) ( resi  14 and name hb   ) 2.74 0.94 0.76
assign ( resi  14 and name ha   ) ( resi  14 and name hg2# ) 2.79 0.99 1.71
assign ( resi  14 and name hb   ) ( resi  14 and name hg2# ) 2.84 1.04 1.66
assign ( resi  14 and name hn   ) ( resi  13 and name hg2# ) 3.30 1.5  1.2
assign ( resi  14 and name hn   ) ( resi  14 and name hb   ) 3.76 1.96 1.24
assign ( resi  14 and name hn   ) ( resi  14 and name hg2# ) 3.85 2.05 2.15
assign ( resi  15 and name ha   ) ( resi  15 and name hb1  ) 2.91 1.11 0.59
assign ( resi  15 and name ha   ) ( resi  15 and name hb2  ) 3.22 1.42 0.28
assign ( resi  15 and name ha   ) ( resi  15 and name hg#  ) 3.20 1.4  1.3
assign ( resi  15 and name hn   ) ( resi  14 and name hb   ) 3.45 1.65 0.04
assign ( resi  15 and name hn   ) ( resi  14 and name hg2# ) 3.44 1.64 1.06
assign ( resi  15 and name hn   ) ( resi  15 and name ha   ) 3.65 1.85 1.35
assign ( resi  15 and name hn   ) ( resi  15 and name hb1  ) 3.31 1.51 0.19
assign ( resi  15 and name hn   ) ( resi  15 and name hb2  ) 3.63 1.83 1.37
assign ( resi  15 and name hn   ) ( resi  15 and name hg#  ) 2.83 1.03 1.67
assign ( resi  16 and name ha   ) ( resi   2 and name hg1  ) 3.91 2.11 1.09
assign ( resi  16 and name ha   ) ( resi   2 and name hg2  ) 3.57 1.77 1.43
assign ( resi  16 and name ha   ) ( resi  16 and name hb   ) 3.77 1.97 1.23
assign ( resi  16 and name ha   ) ( resi  16 and name hg2# ) 3.15 1.35 1.35
assign ( resi  16 and name hb   ) ( resi  16 and name hg2# ) 2.50 0.7  1.2
assign ( resi  16 and name hn   ) ( resi  15 and name ha   ) 2.88 1.08 0.62
assign ( resi  16 and name hn   ) ( resi  15 and name hb1  ) 3.13 1.33 0.37
assign ( resi  16 and name hn   ) ( resi  15 and name hb2  ) 3.50 1.7  1.5
assign ( resi  16 and name hn   ) ( resi  16 and name ha   ) 3.30 1.5  0.2
assign ( resi  16 and name hn   ) ( resi  16 and name hb   ) 2.85 1.05 0.65
assign ( resi  16 and name hn   ) ( resi  16 and name hg2# ) 2.90 1.1  1.6
assign ( resi  17 and name ha   ) ( resi  16 and name hg2# ) 3.50 1.7  2.5
assign ( resi  17 and name ha   ) ( resi  17 and name hb1  ) 2.87 1.07 0.63
assign ( resi  17 and name ha   ) ( resi  17 and name hb2  ) 2.83 1.03 0.67
assign ( resi  17 and name hb1  ) ( resi  17 and name hb2  ) 2.44 0.64 0.26
assign ( resi  17 and name hn   ) ( resi  16 and name ha   ) 2.71 0.91 0.79
assign ( resi  17 and name hn   ) ( resi  16 and name hb   ) 3.77 1.97 1.23
assign ( resi  17 and name hn   ) ( resi  17 and name hb1  ) 3.88 2.08 1.12
assign ( resi  18 and name ha   ) ( resi  18 and name hb1  ) 3.24 1.44 0.26
assign ( resi  18 and name ha   ) ( resi  18 and name hb2  ) 3.15 1.35 0.35
assign ( resi  18 and name hn   ) ( resi  17 and name hb1  ) 3.84 2.04 1.16
assign ( resi  18 and name hn   ) ( resi  17 and name hb2  ) 4.13 2.33 0.87
assign ( resi  18 and name hn   ) ( resi  18 and name ha   ) 3.79 1.99 1.21
assign ( resi  18 and name hn   ) ( resi  18 and name hb1  ) 3.22 1.42 0.28
assign ( resi  18 and name hn   ) ( resi  18 and name hb2  ) 3.35 1.55 0.15
assign ( resi  18 and name hn   ) ( resi  20 and name hn   ) 4.12 2.32 0.88
assign ( resi  19 and name ha2  ) ( resi  19 and name ha1  ) 2.21 0.41 0.49
assign ( resi  19 and name hn   ) ( resi  18 and name ha   ) 3.29 1.49 0.21
assign ( resi  20 and name ha   ) ( resi  20 and name hb1  ) 3.28 1.48 0.22
assign ( resi  20 and name ha   ) ( resi  20 and name hb2  ) 3.37 1.57 0.13
assign ( resi  20 and name ha   ) ( resi  20 and name hg#  ) 3.02 1.22 1.48
assign ( resi  20 and name hb1  ) ( resi  20 and name hb2  ) 2.39 0.59 0.31
assign ( resi  20 and name hg#  ) ( resi  20 and name hb1  ) 3.93 2.13 2.07
assign ( resi  20 and name hg#  ) ( resi  20 and name hb2  ) 2.87 1.07 1.63
assign ( resi  20 and name hn   ) ( resi  19 and name ha1  ) 3.92 2.12 1.08
assign ( resi  20 and name hn   ) ( resi  19 and name ha2  ) 3.93 2.13 1.07
assign ( resi  20 and name hn   ) ( resi  20 and name ha   ) 3.87 2.07 1.13
assign ( resi  20 and name hn   ) ( resi  20 and name hb1  ) 3.26 1.46 0.24
assign ( resi  20 and name hn   ) ( resi  20 and name hb2  ) 3.14 1.34 0.36
assign ( resi  20 and name hn   ) ( resi  20 and name hg#  ) 3.02 1.22 1.48
assign ( resi  21 and name hb   ) ( resi  21 and name hg2# ) 2.24 0.44 1.46
assign ( resi  21 and name hn   ) ( resi  20 and name ha   ) 2.58 0.78 0.12
assign ( resi  21 and name hn   ) ( resi  20 and name hb1  ) 3.07 1.27 0.43
assign ( resi  21 and name hn   ) ( resi  20 and name hb2  ) 3.59 1.79 1.41
assign ( resi  21 and name hn   ) ( resi  20 and name hg#  ) 3.47 1.67 1.03
assign ( resi  21 and name hn   ) ( resi  21 and name ha   ) 3.16 1.36 0.34
assign ( resi  21 and name hn   ) ( resi  21 and name hg2# ) 3.07 1.27 1.43
assign ( resi  21 and name hn   ) ( resi  22 and name hn   ) 2.75 0.95 0.75
assign ( resi  22 and name ha   ) ( resi  21 and name ha   ) 4.08 2.28 0.92
assign ( resi  22 and name ha   ) ( resi  22 and name hb1  ) 3.17 1.37 0.33
assign ( resi  22 and name ha   ) ( resi  22 and name hb2  ) 2.92 1.12 0.58
assign ( resi  22 and name ha   ) ( resi  55 and name ha   ) 3.20 1.4  0.3
assign ( resi  22 and name ha   ) ( resi  55 and name hb2  ) 4.24 2.44 0.76
assign ( resi  22 and name ha   ) ( resi  55 and name hd#  ) 4.66 2.86 1.34
assign ( resi  22 and name ha   ) ( resi  55 and name hg2  ) 4.23 2.43 0.77
assign ( resi  22 and name hb2  ) ( resi  22 and name hb1  ) 2.39 0.59 0.31
assign ( resi  22 and name hd21 ) ( resi  21 and name hb   ) 4.16 2.36 0.84
assign ( resi  22 and name hd21 ) ( resi  21 and name hg2# ) 4.62 2.82 1.38
assign ( resi  22 and name hd21 ) ( resi  22 and name ha   ) 4.05 2.25 0.95
assign ( resi  22 and name hd21 ) ( resi  22 and name hb1  ) 3.46 1.66 0.04
assign ( resi  22 and name hd21 ) ( resi  22 and name hb2  ) 3.86 2.06 1.14
assign ( resi  22 and name hd21 ) ( resi  22 and name hd22 ) 2.27 0.47 0.43
assign ( resi  22 and name hd21 ) ( resi  42 and name hb1  ) 4.42 2.62 0.58
assign ( resi  22 and name hd21 ) ( resi  42 and name hb2  ) 4.51 2.71 0.49
assign ( resi  22 and name hd22 ) ( resi  21 and name hb   ) 4.99 3.19 0.00
assign ( resi  22 and name hd22 ) ( resi  22 and name ha   ) 4.91 3.11 0.08
assign ( resi  22 and name hd22 ) ( resi  22 and name hb1  ) 3.93 2.13 1.07
assign ( resi  22 and name hd22 ) ( resi  22 and name hb2  ) 4.45 2.65 0.55
assign ( resi  22 and name hd22 ) ( resi  42 and name hb1  ) 4.47 2.67 0.53
assign ( resi  22 and name hd22 ) ( resi  42 and name hb2  ) 4.43 2.63 0.57
assign ( resi  22 and name hd22 ) ( resi  55 and name hd#  ) 4.07 2.27 1.93
assign ( resi  22 and name hn   ) ( resi  21 and name ha   ) 3.38 1.58 0.12
assign ( resi  22 and name hn   ) ( resi  21 and name hg2# ) 4.12 2.32 1.88
assign ( resi  22 and name hn   ) ( resi  22 and name ha   ) 3.56 1.76 1.44
assign ( resi  22 and name hn   ) ( resi  22 and name hb1  ) 3.93 2.13 1.07
assign ( resi  22 and name hn   ) ( resi  22 and name hb2  ) 3.13 1.33 0.37
assign ( resi  23 and name ha   ) ( resi  23 and name hb1  ) 3.03 1.23 0.47
assign ( resi  23 and name ha   ) ( resi  23 and name hb2  ) 3.16 1.36 0.34
assign ( resi  23 and name ha   ) ( resi  40 and name ha   ) 2.96 1.16 0.54
assign ( resi  23 and name hb1  ) ( resi  23 and name hb2  ) 2.44 0.64 0.26
assign ( resi  23 and name hn   ) ( resi   1 and name hd1# ) 3.46 1.66 1.04
assign ( resi  23 and name hn   ) ( resi   1 and name hd2# ) 4.09 2.29 1.91
assign ( resi  23 and name hn   ) ( resi  22 and name ha   ) 2.59 0.79 0.11
assign ( resi  23 and name hn   ) ( resi  22 and name hb1  ) 2.92 1.12 0.58
assign ( resi  23 and name hn   ) ( resi  22 and name hb2  ) 3.30 1.5  0.2
assign ( resi  23 and name hn   ) ( resi  23 and name ha   ) 3.47 1.67 0.02
assign ( resi  23 and name hn   ) ( resi  23 and name hb1  ) 3.39 1.59 0.11
assign ( resi  23 and name hn   ) ( resi  23 and name hb2  ) 3.65 1.85 1.35
assign ( resi  23 and name hn   ) ( resi  40 and name ha   ) 3.74 1.94 1.26
assign ( resi  23 and name hn   ) ( resi  53 and name ha   ) 3.73 1.93 1.27
assign ( resi  23 and name hn   ) ( resi  55 and name ha   ) 4.01 2.21 0.99
assign ( resi  24 and name ha   ) ( resi  24 and name hb1  ) 2.82 1.02 0.68
assign ( resi  24 and name ha   ) ( resi  24 and name hb2  ) 2.80 1    0.7
assign ( resi  24 and name ha   ) ( resi  53 and name ha   ) 2.76 0.96 0.74
assign ( resi  24 and name ha   ) ( resi  53 and name hb1  ) 4.04 2.24 0.96
assign ( resi  24 and name hb1  ) ( resi  24 and name hb2  ) 2.46 0.66 0.24
assign ( resi  24 and name hd#  ) ( resi  24 and name ha   ) 3.06 1.26 2.44
assign ( resi  24 and name hd#  ) ( resi  24 and name hb1  ) 2.83 1.03 2.67
assign ( resi  24 and name hd#  ) ( resi  24 and name hb2  ) 2.70 0.9  2.8
assign ( resi  24 and name hd#  ) ( resi  26 and name hb1  ) 3.12 1.32 2.38
assign ( resi  24 and name hd#  ) ( resi  26 and name hb2  ) 3.06 1.26 2.44
assign ( resi  24 and name hd#  ) ( resi  26 and name hg#  ) 2.69 0.89 2.01
assign ( resi  24 and name hn   ) ( resi  23 and name ha   ) 2.74 0.94 0.76
assign ( resi  24 and name hn   ) ( resi  23 and name hb1  ) 3.58 1.78 1.42
assign ( resi  24 and name hn   ) ( resi  23 and name hb2  ) 3.34 1.54 0.16
assign ( resi  24 and name hn   ) ( resi  24 and name ha   ) 3.03 1.23 0.47
assign ( resi  24 and name hn   ) ( resi  24 and name hb1  ) 2.98 1.18 0.52
assign ( resi  24 and name hn   ) ( resi  24 and name hb2  ) 3.79 1.99 1.21
assign ( resi  24 and name hn   ) ( resi  24 and name hd#  ) 3.08 1.28 2.42
assign ( resi  24 and name hn   ) ( resi  60 and name hd21 ) 3.43 1.63 0.06
assign ( resi  24 and name hn   ) ( resi  60 and name hd22 ) 3.52 1.72 1.48
assign ( resi  25 and name ha   ) ( resi  25 and name hb1  ) 3.37 1.57 0.13
assign ( resi  25 and name ha   ) ( resi  25 and name hb2  ) 3.18 1.38 0.32
assign ( resi  25 and name ha   ) ( resi  25 and name hg#  ) 3.27 1.47 1.23
assign ( resi  25 and name hb1  ) ( resi  25 and name hb2  ) 2.31 0.51 0.39
assign ( resi  25 and name he#  ) ( resi  25 and name hd#  ) 2.90 1.1  1.6
assign ( resi  25 and name he#  ) ( resi  25 and name hg#  ) 3.13 1.33 1.37
assign ( resi  25 and name hn   ) ( resi  24 and name ha   ) 2.52 0.72 0.18
assign ( resi  25 and name hn   ) ( resi  24 and name hb1  ) 3.32 1.52 0.18
assign ( resi  25 and name hn   ) ( resi  24 and name hb2  ) 3.14 1.34 0.36
assign ( resi  25 and name hn   ) ( resi  24 and name hn   ) 4.08 2.28 0.92
assign ( resi  25 and name hn   ) ( resi  25 and name ha   ) 3.74 1.94 1.26
assign ( resi  25 and name hn   ) ( resi  25 and name hb1  ) 3.28 1.48 0.22
assign ( resi  25 and name hn   ) ( resi  25 and name hb2  ) 3.23 1.43 0.27
assign ( resi  25 and name hn   ) ( resi  25 and name hd#  ) 4.25 2.45 1.75
assign ( resi  25 and name hn   ) ( resi  25 and name hg#  ) 4.22 2.42 1.78
assign ( resi  25 and name hn   ) ( resi  53 and name ha   ) 3.55 1.75 1.45
assign ( resi  26 and name ha   ) ( resi  26 and name hb1  ) 3.40 1.6  0.1
assign ( resi  26 and name ha   ) ( resi  26 and name hb2  ) 3.24 1.44 0.26
assign ( resi  26 and name ha   ) ( resi  26 and name hg#  ) 3.22 1.42 1.28
assign ( resi  26 and name ha   ) ( resi  51 and name ha   ) 2.86 1.06 0.64
assign ( resi  26 and name hn   ) ( resi  24 and name hd#  ) 3.28 1.48 2.22
assign ( resi  26 and name hn   ) ( resi  25 and name ha   ) 2.74 0.94 0.76
assign ( resi  26 and name hn   ) ( resi  25 and name hd#  ) 4.32 2.52 1.68
assign ( resi  26 and name hn   ) ( resi  25 and name hg#  ) 3.46 1.66 1.04
assign ( resi  26 and name hn   ) ( resi  25 and name hn   ) 3.77 1.97 1.23
assign ( resi  26 and name hn   ) ( resi  26 and name ha   ) 3.37 1.57 0.13
assign ( resi  26 and name hn   ) ( resi  26 and name hb1  ) 3.13 1.33 0.37
assign ( resi  26 and name hn   ) ( resi  26 and name hb2  ) 3.66 1.86 1.34
assign ( resi  26 and name hn   ) ( resi  26 and name hg#  ) 3.17 1.37 1.33
assign ( resi  26 and name hn   ) ( resi  27 and name he3  ) 4.06 2.26 0.94
assign ( resi  26 and name hn   ) ( resi  36 and name hg2# ) 3.55 1.75 2.45
assign ( resi  26 and name hn   ) ( resi  37 and name hb2  ) 4.87 3.07 0.13
assign ( resi  26 and name hn   ) ( resi  37 and name hn   ) 3.46 1.66 0.04
assign ( resi  27 and name ha   ) ( resi  27 and name hb1  ) 2.80 1    0.7
assign ( resi  27 and name ha   ) ( resi  27 and name hb2  ) 2.82 1.02 0.68
assign ( resi  27 and name ha   ) ( resi  34 and name hg2# ) 3.64 1.84 2.36
assign ( resi  27 and name ha   ) ( resi  35 and name hb   ) 4.54 2.74 0.46
assign ( resi  27 and name ha   ) ( resi  35 and name hg2# ) 4.54 2.74 1.46
assign ( resi  27 and name ha   ) ( resi  36 and name ha   ) 3.11 1.31 0.39
assign ( resi  27 and name ha   ) ( resi  36 and name hb   ) 4.15 2.35 0.85
assign ( resi  27 and name ha   ) ( resi  36 and name hd1# ) 4.44 2.64 1.56
assign ( resi  27 and name ha   ) ( resi  36 and name hg2# ) 3.13 1.33 1.37
assign ( resi  27 and name hb1  ) ( resi  27 and name hb2  ) 2.54 0.74 0.16
assign ( resi  27 and name hb1  ) ( resi  36 and name hb   ) 3.40 1.6  0.1
assign ( resi  27 and name hb1  ) ( resi  36 and name hd1# ) 3.72 1.92 2.28
assign ( resi  27 and name hb1  ) ( resi  36 and name hg2# ) 2.74 0.94 1.76
assign ( resi  27 and name hb2  ) ( resi  36 and name hd1# ) 3.80 2    2.2
assign ( resi  27 and name hb2  ) ( resi  36 and name hg2# ) 2.85 1.05 1.65
assign ( resi  27 and name hd1  ) ( resi  27 and name ha   ) 3.73 1.93 1.27
assign ( resi  27 and name hd1  ) ( resi  27 and name hb1  ) 3.52 1.72 1.48
assign ( resi  27 and name hd1  ) ( resi  27 and name hb2  ) 3.11 1.31 0.39
assign ( resi  27 and name hd1  ) ( resi  36 and name hg2# ) 3.85 2.05 2.15
assign ( resi  27 and name hd1  ) ( resi  50 and name hb1  ) 4.62 2.82 0.38
assign ( resi  27 and name hd1  ) ( resi  50 and name hd21 ) 3.50 1.7  1.5
assign ( resi  27 and name he1  ) ( resi  27 and name hb1  ) 4.63 2.83 0.37
assign ( resi  27 and name he1  ) ( resi  27 and name hb2  ) 4.46 2.66 0.54
assign ( resi  27 and name he1  ) ( resi  27 and name hd1  ) 2.60 0.8  0.1
assign ( resi  27 and name he1  ) ( resi  27 and name hz2  ) 2.85 1.05 0.65
assign ( resi  27 and name he1  ) ( resi  50 and name hb1  ) 4.00 2.2  1
assign ( resi  27 and name he1  ) ( resi  50 and name hb2  ) 4.09 2.29 0.91
assign ( resi  27 and name he1  ) ( resi  50 and name hd21 ) 3.74 1.94 1.26
assign ( resi  27 and name he3  ) ( resi  25 and name hb1  ) 3.48 1.68 0.02
assign ( resi  27 and name he3  ) ( resi  25 and name hb2  ) 3.81 2.01 1.19
assign ( resi  27 and name he3  ) ( resi  25 and name hd#  ) 3.69 1.89 2.31
assign ( resi  27 and name he3  ) ( resi  25 and name he#  ) 3.91 2.11 2.09
assign ( resi  27 and name he3  ) ( resi  25 and name hg#  ) 2.87 1.07 1.63
assign ( resi  27 and name he3  ) ( resi  26 and name ha   ) 2.97 1.17 0.53
assign ( resi  27 and name he3  ) ( resi  27 and name ha   ) 3.69 1.89 1.31
assign ( resi  27 and name he3  ) ( resi  27 and name hb1  ) 3.34 1.54 0.16
assign ( resi  27 and name he3  ) ( resi  27 and name hb2  ) 3.64 1.84 1.36
assign ( resi  27 and name he3  ) ( resi  27 and name hz3  ) 2.57 0.77 0.13
assign ( resi  27 and name hn   ) ( resi  26 and name ha   ) 2.53 0.73 0.17
assign ( resi  27 and name hn   ) ( resi  26 and name hb1  ) 3.38 1.58 0.12
assign ( resi  27 and name hn   ) ( resi  26 and name hb2  ) 3.90 2.1  1.1
assign ( resi  27 and name hn   ) ( resi  26 and name hg#  ) 3.28 1.48 1.22
assign ( resi  27 and name hn   ) ( resi  27 and name ha   ) 3.90 2.1  1.1
assign ( resi  27 and name hn   ) ( resi  27 and name hb1  ) 3.78 1.98 1.22
assign ( resi  27 and name hn   ) ( resi  27 and name hb2  ) 4.31 2.51 0.69
assign ( resi  27 and name hn   ) ( resi  27 and name hd1  ) 4.36 2.56 0.64
assign ( resi  27 and name hn   ) ( resi  27 and name he3  ) 2.92 1.12 0.58
assign ( resi  27 and name hn   ) ( resi  27 and name hz3  ) 3.86 2.06 1.14
assign ( resi  27 and name hn   ) ( resi  28 and name hn   ) 4.19 2.39 0.81
assign ( resi  27 and name hn   ) ( resi  50 and name hn   ) 3.27 1.47 0.23
assign ( resi  27 and name hn   ) ( resi  51 and name ha   ) 3.44 1.64 0.06
assign ( resi  27 and name hn   ) ( resi  51 and name hn   ) 4.12 2.32 0.88
assign ( resi  27 and name hz2  ) ( resi  27 and name hh2  ) 2.39 0.59 0.31
assign ( resi  28 and name ha   ) ( resi  28 and name hb1  ) 2.78 0.98 0.72
assign ( resi  28 and name ha   ) ( resi  28 and name hb2  ) 2.75 0.95 0.75
assign ( resi  28 and name ha   ) ( resi  49 and name hg1# ) 4.25 2.45 1.75
assign ( resi  28 and name ha   ) ( resi  49 and name hg2# ) 4.25 2.45 1.75
assign ( resi  28 and name hb1  ) ( resi  28 and name hb2  ) 2.32 0.52 0.38
assign ( resi  28 and name hb1  ) ( resi  49 and name hg1# ) 3.20 1.4  1.3
assign ( resi  28 and name hb1  ) ( resi  49 and name hg2# ) 3.10 1.3  1.4
assign ( resi  28 and name hb2  ) ( resi  49 and name hg1# ) 3.12 1.32 1.38
assign ( resi  28 and name hb2  ) ( resi  49 and name hg2# ) 3.34 1.54 1.16
assign ( resi  28 and name hd1  ) ( resi  28 and name ha   ) 3.98 2.18 1.02
assign ( resi  28 and name hd1  ) ( resi  28 and name hb2  ) 2.99 1.19 0.51
assign ( resi  28 and name hd1  ) ( resi  30 and name hb1  ) 3.99 2.19 1.01
assign ( resi  28 and name hd1  ) ( resi  30 and name hb2  ) 3.66 1.86 1.34
assign ( resi  28 and name hd1  ) ( resi  35 and name hb   ) 4.47 2.67 0.53
assign ( resi  28 and name hd1  ) ( resi  35 and name hd1# ) 4.09 2.29 1.91
assign ( resi  28 and name hd1  ) ( resi  35 and name hg2# ) 4.74 2.94 1.26
assign ( resi  28 and name hd1  ) ( resi  49 and name hg1# ) 3.88 2.08 2.12
assign ( resi  28 and name hd1  ) ( resi  49 and name hg2# ) 4.32 2.52 1.68
assign ( resi  28 and name he1  ) ( resi  28 and name hb1  ) 4.65 2.85 0.35
assign ( resi  28 and name he1  ) ( resi  28 and name hb2  ) 4.40 2.6  0.6
assign ( resi  28 and name he1  ) ( resi  28 and name hd1  ) 2.61 0.81 0.09
assign ( resi  28 and name he1  ) ( resi  28 and name hn   ) 4.57 2.77 0.43
assign ( resi  28 and name he1  ) ( resi  28 and name hz2  ) 2.85 1.05 0.65
assign ( resi  28 and name he1  ) ( resi  30 and name hb1  ) 4.18 2.38 0.82
assign ( resi  28 and name he1  ) ( resi  30 and name hb2  ) 4.24 2.44 0.76
assign ( resi  28 and name he1  ) ( resi  35 and name hb   ) 4.28 2.48 0.72
assign ( resi  28 and name he1  ) ( resi  35 and name hd1# ) 3.33 1.53 1.17
assign ( resi  28 and name he1  ) ( resi  35 and name hg11 ) 4.24 2.44 0.76
assign ( resi  28 and name he1  ) ( resi  35 and name hg12 ) 4.68 2.88 0.32
assign ( resi  28 and name he1  ) ( resi  35 and name hg2# ) 4.00 2.2  2
assign ( resi  28 and name he3  ) ( resi  26 and name ha   ) 4.31 2.51 0.69
assign ( resi  28 and name he3  ) ( resi  27 and name ha   ) 2.99 1.19 0.51
assign ( resi  28 and name he3  ) ( resi  28 and name ha   ) 3.87 2.07 1.13
assign ( resi  28 and name he3  ) ( resi  28 and name hb1  ) 3.22 1.42 0.28
assign ( resi  28 and name he3  ) ( resi  28 and name hz3  ) 2.65 0.85 0.05
assign ( resi  28 and name he3  ) ( resi  35 and name hb   ) 4.42 2.62 0.58
assign ( resi  28 and name he3  ) ( resi  35 and name hg2# ) 4.23 2.43 1.77
assign ( resi  28 and name he3  ) ( resi  49 and name ha   ) 4.08 2.28 0.92
assign ( resi  28 and name he3  ) ( resi  49 and name hb   ) 3.98 2.18 1.02
assign ( resi  28 and name he3  ) ( resi  49 and name hg1# ) 2.91 1.11 1.59
assign ( resi  28 and name he3  ) ( resi  49 and name hg2# ) 3.60 1.8  2.4
assign ( resi  28 and name hh2  ) ( resi  26 and name hg#  ) 3.91 2.11 2.09
assign ( resi  28 and name hh2  ) ( resi  28 and name hz3  ) 2.60 0.8  0.1
assign ( resi  28 and name hh2  ) ( resi  35 and name hb   ) 4.43 2.63 0.57
assign ( resi  28 and name hh2  ) ( resi  35 and name hd1# ) 4.09 2.29 1.91
assign ( resi  28 and name hh2  ) ( resi  35 and name hg2# ) 3.12 1.32 1.38
assign ( resi  28 and name hh2  ) ( resi  37 and name hb2  ) 3.83 2.03 1.17
assign ( resi  28 and name hh2  ) ( resi  37 and name hg2  ) 3.71 1.91 1.29
assign ( resi  28 and name hn   ) ( resi  27 and name ha   ) 2.52 0.72 0.18
assign ( resi  28 and name hn   ) ( resi  27 and name hb1  ) 3.01 1.21 0.49
assign ( resi  28 and name hn   ) ( resi  27 and name hb2  ) 3.90 2.1  1.1
assign ( resi  28 and name hn   ) ( resi  28 and name ha   ) 3.90 2.1  1.1
assign ( resi  28 and name hn   ) ( resi  28 and name hd1  ) 3.90 2.1  1.1
assign ( resi  28 and name hn   ) ( resi  28 and name he3  ) 2.94 1.14 0.56
assign ( resi  28 and name hz2  ) ( resi  28 and name hh2  ) 2.42 0.62 0.28
assign ( resi  28 and name hz2  ) ( resi  35 and name hb   ) 3.89 2.09 1.11
assign ( resi  28 and name hz2  ) ( resi  35 and name hd1# ) 3.25 1.45 1.25
assign ( resi  28 and name hz2  ) ( resi  35 and name hg11 ) 4.03 2.23 0.97
assign ( resi  28 and name hz2  ) ( resi  35 and name hg2# ) 3.03 1.23 1.47
assign ( resi  28 and name hz3  ) ( resi  26 and name hg#  ) 2.71 0.91 1.79
assign ( resi  28 and name hz3  ) ( resi  35 and name hb   ) 4.96 3.16 0.04
assign ( resi  28 and name hz3  ) ( resi  35 and name hg2# ) 3.69 1.89 2.31
assign ( resi  28 and name hz3  ) ( resi  37 and name hb1  ) 3.57 1.77 1.43
assign ( resi  28 and name hz3  ) ( resi  37 and name hb2  ) 3.53 1.73 1.47
assign ( resi  28 and name hz3  ) ( resi  37 and name hg1  ) 4.14 2.34 0.86
assign ( resi  28 and name hz3  ) ( resi  37 and name hg2  ) 3.81 2.01 1.19
assign ( resi  28 and name hz3  ) ( resi  49 and name hg1# ) 3.56 1.76 2.44
assign ( resi  29 and name ha   ) ( resi  29 and name hb1  ) 3.11 1.31 0.39
assign ( resi  29 and name ha   ) ( resi  29 and name hb2  ) 2.99 1.19 0.51
assign ( resi  29 and name ha   ) ( resi  34 and name ha   ) 2.98 1.18 0.52
assign ( resi  29 and name hb2  ) ( resi  29 and name hb1  ) 2.30 0.5  0.4
assign ( resi  29 and name hn   ) ( resi  28 and name ha   ) 3.90 2.1  1.1
assign ( resi  29 and name hn   ) ( resi  28 and name hb1  ) 3.13 1.33 0.37
assign ( resi  29 and name hn   ) ( resi  28 and name hb2  ) 2.82 1.02 0.68
assign ( resi  29 and name hn   ) ( resi  29 and name ha   ) 2.97 1.17 0.53
assign ( resi  29 and name hn   ) ( resi  29 and name hb2  ) 3.03 1.23 0.47
assign ( resi  30 and name ha   ) ( resi  30 and name hb1  ) 2.71 0.91 0.79
assign ( resi  30 and name ha   ) ( resi  30 and name hb2  ) 2.62 0.82 0.08
assign ( resi  30 and name hb2  ) ( resi  30 and name hb1  ) 2.40 0.6  0.3
assign ( resi  30 and name hn   ) ( resi  29 and name ha   ) 2.60 0.8  0.1
assign ( resi  30 and name hn   ) ( resi  30 and name hb1  ) 3.79 1.99 1.21
assign ( resi  30 and name hn   ) ( resi  30 and name hb2  ) 3.90 2.1  1.1
assign ( resi  30 and name hn   ) ( resi  33 and name hn   ) 3.22 1.42 0.28
assign ( resi  31 and name ha   ) ( resi  31 and name hb#  ) 2.56 0.76 1.14
assign ( resi  31 and name hd2  ) ( resi  31 and name hb#  ) 3.60 1.8  2.4
assign ( resi  31 and name hn   ) ( resi  30 and name hb1  ) 3.37 1.57 0.13
assign ( resi  31 and name hn   ) ( resi  30 and name hb2  ) 3.09 1.29 0.41
assign ( resi  31 and name hn   ) ( resi  30 and name hn   ) 4.68 2.88 0.32
assign ( resi  31 and name hn   ) ( resi  31 and name ha   ) 2.90 1.1  0.6
assign ( resi  31 and name hn   ) ( resi  31 and name hb#  ) 2.81 1.01 1.69
assign ( resi  31 and name hn   ) ( resi  31 and name hd2  ) 4.44 2.64 0.56
assign ( resi  31 and name hn   ) ( resi  32 and name hn   ) 3.27 1.47 0.23
assign ( resi  31 and name hn   ) ( resi  33 and name hn   ) 4.33 2.53 0.67
assign ( resi  32 and name ha   ) ( resi  32 and name hb1  ) 3.11 1.31 0.39
assign ( resi  32 and name ha   ) ( resi  32 and name hg1  ) 3.49 1.69 0.00
assign ( resi  32 and name ha   ) ( resi  32 and name hg2  ) 3.15 1.35 0.35
assign ( resi  32 and name hb1  ) ( resi  32 and name hg1  ) 3.28 1.48 0.22
assign ( resi  32 and name hb2  ) ( resi  32 and name hb1  ) 2.59 0.79 0.11
assign ( resi  32 and name hb2  ) ( resi  32 and name hg1  ) 3.68 1.88 1.32
assign ( resi  32 and name hb2  ) ( resi  32 and name hg2  ) 2.73 0.93 0.77
assign ( resi  32 and name hd#  ) ( resi  32 and name hb1  ) 3.75 1.95 2.25
assign ( resi  32 and name hd#  ) ( resi  32 and name hb2  ) 3.40 1.6  1.1
assign ( resi  32 and name hd#  ) ( resi  32 and name hg1  ) 2.95 1.15 1.55
assign ( resi  32 and name hd#  ) ( resi  32 and name hg2  ) 2.94 1.14 1.56
assign ( resi  32 and name he   ) ( resi  32 and name hb1  ) 3.58 1.78 1.42
assign ( resi  32 and name he   ) ( resi  32 and name hb2  ) 3.99 2.19 1.01
assign ( resi  32 and name he   ) ( resi  32 and name hd#  ) 3.38 1.58 1.12
assign ( resi  32 and name he   ) ( resi  32 and name hg1  ) 3.55 1.75 1.45
assign ( resi  32 and name he   ) ( resi  32 and name hg2  ) 4.25 2.45 0.75
assign ( resi  32 and name hn   ) ( resi  31 and name ha   ) 3.54 1.74 1.46
assign ( resi  32 and name hn   ) ( resi  31 and name hb#  ) 3.15 1.35 1.35
assign ( resi  32 and name hn   ) ( resi  32 and name ha   ) 2.90 1.1  0.6
assign ( resi  32 and name hn   ) ( resi  32 and name hb1  ) 3.11 1.31 0.39
assign ( resi  32 and name hn   ) ( resi  32 and name hb2  ) 3.55 1.75 1.45
assign ( resi  32 and name hn   ) ( resi  32 and name he   ) 4.01 2.21 0.99
assign ( resi  32 and name hn   ) ( resi  32 and name hg1  ) 3.33 1.53 0.17
assign ( resi  32 and name hn   ) ( resi  32 and name hg2  ) 3.68 1.88 1.32
assign ( resi  32 and name hn   ) ( resi  33 and name hn   ) 2.77 0.97 0.73
assign ( resi  33 and name ha2  ) ( resi  33 and name ha1  ) 2.24 0.44 0.46
assign ( resi  33 and name hn   ) ( resi  29 and name ha   ) 4.60 2.8  0.4
assign ( resi  33 and name hn   ) ( resi  31 and name ha   ) 4.36 2.56 0.64
assign ( resi  33 and name hn   ) ( resi  32 and name ha   ) 3.39 1.59 0.11
assign ( resi  33 and name hn   ) ( resi  32 and name hb1  ) 3.92 2.12 1.08
assign ( resi  33 and name hn   ) ( resi  32 and name hb2  ) 3.86 2.06 1.14
assign ( resi  33 and name hn   ) ( resi  33 and name ha1  ) 2.97 1.17 0.53
assign ( resi  33 and name hn   ) ( resi  33 and name ha2  ) 2.99 1.19 0.51
assign ( resi  34 and name ha   ) ( resi  34 and name hb   ) 3.65 1.85 1.35
assign ( resi  34 and name ha   ) ( resi  34 and name hg2# ) 3.03 1.23 1.47
assign ( resi  34 and name hb   ) ( resi  34 and name hg2# ) 2.54 0.74 1.16
assign ( resi  34 and name hn   ) ( resi  33 and name ha1  ) 2.78 0.98 0.72
assign ( resi  34 and name hn   ) ( resi  33 and name ha2  ) 2.73 0.93 0.77
assign ( resi  34 and name hn   ) ( resi  33 and name hn   ) 3.58 1.78 1.42
assign ( resi  34 and name hn   ) ( resi  34 and name ha   ) 3.90 2.1  1.1
assign ( resi  34 and name hn   ) ( resi  34 and name hb   ) 2.84 1.04 0.66
assign ( resi  34 and name hn   ) ( resi  34 and name hg2# ) 3.57 1.77 2.43
assign ( resi  35 and name ha   ) ( resi  35 and name hb   ) 3.23 1.43 0.27
assign ( resi  35 and name ha   ) ( resi  35 and name hd1# ) 3.16 1.36 1.34
assign ( resi  35 and name ha   ) ( resi  35 and name hg11 ) 3.06 1.26 0.44
assign ( resi  35 and name ha   ) ( resi  35 and name hg12 ) 3.15 1.35 0.35
assign ( resi  35 and name ha   ) ( resi  35 and name hg2# ) 2.75 0.95 1.75
assign ( resi  35 and name hd1# ) ( resi  35 and name hb   ) 5.00 3.2  1
assign ( resi  35 and name hd1# ) ( resi  35 and name hg2# ) 3.14 1.34 1.36
assign ( resi  35 and name hg11 ) ( resi  35 and name hb   ) 2.87 1.07 0.63
assign ( resi  35 and name hg11 ) ( resi  35 and name hd1# ) 2.66 0.86 1.04
assign ( resi  35 and name hg11 ) ( resi  35 and name hg2# ) 2.74 0.94 1.76
assign ( resi  35 and name hg12 ) ( resi  35 and name hb   ) 3.09 1.29 0.41
assign ( resi  35 and name hg12 ) ( resi  35 and name hd1# ) 2.71 0.91 1.79
assign ( resi  35 and name hg12 ) ( resi  35 and name hg2# ) 2.87 1.07 1.63
assign ( resi  35 and name hg2# ) ( resi  35 and name hb   ) 2.82 1.02 1.68
assign ( resi  35 and name hn   ) ( resi  34 and name hg2# ) 2.69 0.89 1.01
assign ( resi  35 and name hn   ) ( resi  34 and name hn   ) 3.71 1.91 1.29
assign ( resi  35 and name hn   ) ( resi  35 and name hb   ) 2.81 1.01 0.69
assign ( resi  35 and name hn   ) ( resi  35 and name hd1# ) 3.08 1.28 1.42
assign ( resi  35 and name hn   ) ( resi  35 and name hg12 ) 3.52 1.72 1.48
assign ( resi  35 and name hn   ) ( resi  35 and name hg2# ) 3.25 1.45 1.25
assign ( resi  36 and name ha   ) ( resi  27 and name hb1  ) 3.34 1.54 0.16
assign ( resi  36 and name ha   ) ( resi  27 and name hb2  ) 3.43 1.63 0.06
assign ( resi  36 and name ha   ) ( resi  36 and name hb   ) 3.38 1.58 0.12
assign ( resi  36 and name ha   ) ( resi  36 and name hd1# ) 3.88 2.08 2.12
assign ( resi  36 and name ha   ) ( resi  36 and name hg1# ) 3.29 1.49 1.21
assign ( resi  36 and name ha   ) ( resi  36 and name hg2# ) 2.66 0.86 1.04
assign ( resi  36 and name hb   ) ( resi  36 and name hd1# ) 2.70 0.9  1.8
assign ( resi  36 and name hb   ) ( resi  36 and name hg2# ) 2.25 0.45 1.45
assign ( resi  36 and name hg1# ) ( resi  36 and name hd1# ) 2.87 1.07 1.63
assign ( resi  36 and name hg1# ) ( resi  36 and name hg2# ) 2.41 0.61 1.29
assign ( resi  36 and name hn   ) ( resi  34 and name hg2# ) 4.03 2.23 1.97
assign ( resi  36 and name hn   ) ( resi  35 and name ha   ) 2.52 0.72 0.18
assign ( resi  36 and name hn   ) ( resi  35 and name hb   ) 4.25 2.45 0.75
assign ( resi  36 and name hn   ) ( resi  35 and name hd1# ) 4.35 2.55 1.65
assign ( resi  36 and name hn   ) ( resi  35 and name hg2# ) 3.02 1.22 1.48
assign ( resi  36 and name hn   ) ( resi  36 and name ha   ) 3.67 1.87 1.33
assign ( resi  36 and name hn   ) ( resi  36 and name hb   ) 3.52 1.72 1.48
assign ( resi  36 and name hn   ) ( resi  36 and name hd1# ) 3.84 2.04 2.16
assign ( resi  36 and name hn   ) ( resi  36 and name hg1# ) 3.20 1.4  1.3
assign ( resi  36 and name hn   ) ( resi  36 and name hg2# ) 3.36 1.56 1.14
assign ( resi  37 and name ha   ) ( resi  37 and name hb1  ) 3.69 1.89 1.31
assign ( resi  37 and name ha   ) ( resi  37 and name hb2  ) 3.63 1.83 1.37
assign ( resi  37 and name ha   ) ( resi  37 and name hg1  ) 3.57 1.77 1.43
assign ( resi  37 and name ha   ) ( resi  37 and name hg2  ) 3.32 1.52 0.18
assign ( resi  37 and name hb1  ) ( resi  35 and name hg2# ) 4.14 2.34 1.86
assign ( resi  37 and name hb2  ) ( resi  37 and name hb1  ) 2.72 0.92 0.78
assign ( resi  37 and name hg2  ) ( resi  37 and name hb2  ) 2.95 1.15 0.55
assign ( resi  37 and name hn   ) ( resi  26 and name hb1  ) 4.18 2.38 0.82
assign ( resi  37 and name hn   ) ( resi  26 and name hg#  ) 3.66 1.86 2.34
assign ( resi  37 and name hn   ) ( resi  27 and name ha   ) 3.59 1.79 1.41
assign ( resi  37 and name hn   ) ( resi  27 and name hb1  ) 4.18 2.38 0.82
assign ( resi  37 and name hn   ) ( resi  28 and name hz3  ) 3.92 2.12 1.08
assign ( resi  37 and name hn   ) ( resi  35 and name hg2# ) 4.53 2.73 1.47
assign ( resi  37 and name hn   ) ( resi  36 and name ha   ) 2.70 0.9  0.8
assign ( resi  37 and name hn   ) ( resi  36 and name hb   ) 4.68 2.88 0.32
assign ( resi  37 and name hn   ) ( resi  36 and name hd1# ) 4.83 3.03 1.17
assign ( resi  37 and name hn   ) ( resi  36 and name hg1# ) 4.33 2.53 1.67
assign ( resi  37 and name hn   ) ( resi  36 and name hg2# ) 2.87 1.07 1.63
assign ( resi  37 and name hn   ) ( resi  36 and name hn   ) 4.39 2.59 0.61
assign ( resi  37 and name hn   ) ( resi  37 and name ha   ) 4.76 2.96 0.24
assign ( resi  37 and name hn   ) ( resi  37 and name hb1  ) 3.54 1.74 1.46
assign ( resi  37 and name hn   ) ( resi  37 and name hb2  ) 3.34 1.54 0.16
assign ( resi  37 and name hn   ) ( resi  37 and name hg2  ) 4.28 2.48 0.72
assign ( resi  38 and name ha   ) ( resi  38 and name hb1  ) 2.52 0.72 0.18
assign ( resi  38 and name ha   ) ( resi  38 and name hb2  ) 2.96 1.16 0.54
assign ( resi  38 and name ha   ) ( resi  38 and name hg#  ) 2.76 0.96 1.74
assign ( resi  38 and name he   ) ( resi  38 and name hd#  ) 3.11 1.31 1.39
assign ( resi  38 and name he   ) ( resi  38 and name hg1  ) 3.56 1.76 1.44
assign ( resi  38 and name he   ) ( resi  61 and name ha   ) 3.09 1.29 0.41
assign ( resi  38 and name hn   ) ( resi  37 and name ha   ) 3.38 1.58 0.12
assign ( resi  38 and name hn   ) ( resi  37 and name hb1  ) 3.72 1.92 1.28
assign ( resi  38 and name hn   ) ( resi  37 and name hb2  ) 3.89 2.09 1.11
assign ( resi  38 and name hn   ) ( resi  37 and name hg1  ) 4.32 2.52 0.68
assign ( resi  38 and name hn   ) ( resi  37 and name hg2  ) 4.07 2.27 0.93
assign ( resi  38 and name hn   ) ( resi  38 and name hg1  ) 3.89 2.09 1.11
assign ( resi  38 and name hn   ) ( resi  38 and name hg1  ) 4.14 2.34 0.86
assign ( resi  39 and name hn   ) ( resi  23 and name ha   ) 4.18 2.38 0.82
assign ( resi  39 and name hn   ) ( resi  39 and name ha1  ) 3.69 1.89 1.31
assign ( resi  40 and name ha   ) ( resi  40 and name hb2  ) 3.09 1.29 0.41
assign ( resi  40 and name hb2  ) ( resi  40 and name hb1  ) 2.15 0.35 0.55
assign ( resi  40 and name hn   ) ( resi  39 and name ha1  ) 2.93 1.13 0.57
assign ( resi  40 and name hn   ) ( resi  40 and name ha   ) 3.57 1.77 1.43
assign ( resi  40 and name hn   ) ( resi  40 and name hb1  ) 3.37 1.57 0.13
assign ( resi  40 and name hn   ) ( resi  40 and name hb2  ) 3.01 1.21 0.49
assign ( resi  41 and name ha2  ) ( resi  41 and name ha1  ) 2.39 0.59 0.31
assign ( resi  41 and name hn   ) ( resi  23 and name ha   ) 3.00 1.2  0.5
assign ( resi  41 and name hn   ) ( resi  40 and name ha   ) 2.78 0.98 0.72
assign ( resi  41 and name hn   ) ( resi  40 and name hb1  ) 3.64 1.84 1.36
assign ( resi  41 and name hn   ) ( resi  40 and name hb2  ) 4.12 2.32 0.88
assign ( resi  41 and name hn   ) ( resi  41 and name ha1  ) 3.01 1.21 0.49
assign ( resi  41 and name hn   ) ( resi  41 and name ha2  ) 3.23 1.43 0.27
assign ( resi  42 and name ha   ) ( resi  24 and name hb1  ) 3.10 1.3  0.4
assign ( resi  42 and name ha   ) ( resi  42 and name hb1  ) 3.30 1.5  0.2
assign ( resi  42 and name ha   ) ( resi  42 and name hb2  ) 3.03 1.23 0.47
assign ( resi  42 and name ha   ) ( resi  43 and name hd1  ) 2.86 1.06 0.64
assign ( resi  42 and name ha   ) ( resi  43 and name hd2  ) 2.64 0.84 0.06
assign ( resi  42 and name hb2  ) ( resi  42 and name hb1  ) 2.32 0.52 0.38
assign ( resi  42 and name hn   ) ( resi  41 and name ha1  ) 2.90 1.1  0.6
assign ( resi  42 and name hn   ) ( resi  41 and name ha2  ) 2.75 0.95 0.75
assign ( resi  42 and name hn   ) ( resi  42 and name ha   ) 3.46 1.66 0.04
assign ( resi  42 and name hn   ) ( resi  42 and name hb1  ) 3.33 1.53 0.17
assign ( resi  42 and name hn   ) ( resi  42 and name hb2  ) 3.51 1.71 1.49
assign ( resi  42 and name hn   ) ( resi  43 and name hd1  ) 4.05 2.25 0.95
assign ( resi  42 and name hn   ) ( resi  43 and name hd2  ) 4.00 2.2  1
assign ( resi  43 and name ha   ) ( resi  43 and name hb1  ) 2.58 0.78 0.12
assign ( resi  43 and name ha   ) ( resi  43 and name hb2  ) 2.54 0.74 0.16
assign ( resi  43 and name ha   ) ( resi  43 and name hd1  ) 3.77 1.97 1.23
assign ( resi  43 and name ha   ) ( resi  43 and name hd2  ) 3.63 1.83 1.37
assign ( resi  43 and name ha   ) ( resi  43 and name hg2  ) 3.95 2.15 1.05
assign ( resi  43 and name hb1  ) ( resi  43 and name hg1  ) 3.47 1.67 0.02
assign ( resi  43 and name hb1  ) ( resi  43 and name hg2  ) 3.17 1.37 0.33
assign ( resi  43 and name hb2  ) ( resi  43 and name hb1  ) 2.20 0.4  0.5
assign ( resi  43 and name hb2  ) ( resi  43 and name hg1  ) 3.11 1.31 0.39
assign ( resi  43 and name hb2  ) ( resi  43 and name hg2  ) 3.22 1.42 0.28
assign ( resi  43 and name hd1  ) ( resi  43 and name hg1  ) 2.89 1.09 0.61
assign ( resi  43 and name hd1  ) ( resi  43 and name hg2  ) 2.98 1.18 0.52
assign ( resi  43 and name hd2  ) ( resi  43 and name hd1  ) 2.76 0.96 0.74
assign ( resi  43 and name hd2  ) ( resi  43 and name hg1  ) 3.08 1.28 0.42
assign ( resi  43 and name hd2  ) ( resi  43 and name hg2  ) 2.96 1.16 0.54
assign ( resi  43 and name hg2  ) ( resi  43 and name hg1  ) 2.13 0.33 0.57
assign ( resi  44 and name ha   ) ( resi  44 and name hb#  ) 2.50 0.7  1.2
assign ( resi  44 and name ha   ) ( resi  44 and name hg1  ) 3.47 1.67 0.02
assign ( resi  44 and name ha   ) ( resi  44 and name hg2  ) 3.69 1.89 1.31
assign ( resi  44 and name ha   ) ( resi  45 and name hg*  ) 4.15 2.35 3.25
assign ( resi  44 and name ha   ) ( resi  51 and name hd1# ) 3.95 2.15 2.05
assign ( resi  44 and name hn   ) ( resi  43 and name ha   ) 2.45 0.65 0.25
assign ( resi  44 and name hn   ) ( resi  43 and name hb2  ) 3.15 1.35 0.35
assign ( resi  44 and name hn   ) ( resi  44 and name ha   ) 3.15 1.35 0.35
assign ( resi  44 and name hn   ) ( resi  44 and name hb#  ) 2.46 0.66 1.24
assign ( resi  44 and name hn   ) ( resi  44 and name hg1  ) 3.90 2.1  1.1
assign ( resi  44 and name hn   ) ( resi  44 and name hg2  ) 3.71 1.91 1.29
assign ( resi  45 and name ha   ) ( resi  45 and name hb   ) 2.55 0.75 0.15
assign ( resi  45 and name ha   ) ( resi  45 and name hg*  ) 3.39 1.59 2.51
assign ( resi  45 and name hb   ) ( resi  45 and name hg*  ) 2.92 1.12 2.98
assign ( resi  45 and name hn   ) ( resi  44 and name ha   ) 2.33 0.53 0.37
assign ( resi  45 and name hn   ) ( resi  44 and name hb#  ) 2.97 1.17 1.53
assign ( resi  45 and name hn   ) ( resi  44 and name hg1  ) 4.14 2.34 0.86
assign ( resi  45 and name hn   ) ( resi  44 and name hg2  ) 4.23 2.43 0.77
assign ( resi  45 and name hn   ) ( resi  44 and name hn   ) 3.77 1.97 1.23
assign ( resi  45 and name hn   ) ( resi  45 and name ha   ) 3.18 1.38 0.32
assign ( resi  45 and name hn   ) ( resi  45 and name hb   ) 3.52 1.72 1.48
assign ( resi  45 and name hn   ) ( resi  45 and name hg*  ) 3.46 1.66 2.44
assign ( resi  45 and name hn   ) ( resi  46 and name hn   ) 3.94 2.14 1.06
assign ( resi  46 and name ha   ) ( resi  46 and name hb1  ) 2.74 0.94 0.76
assign ( resi  46 and name ha   ) ( resi  46 and name hg2  ) 2.98 1.18 0.52
assign ( resi  46 and name ha   ) ( resi  47 and name hd1  ) 2.66 0.86 0.04
assign ( resi  46 and name hn   ) ( resi  45 and name hb   ) 2.64 0.84 0.06
assign ( resi  46 and name hn   ) ( resi  45 and name hg*  ) 3.95 2.15 3.45
assign ( resi  46 and name hn   ) ( resi  46 and name ha   ) 2.42 0.62 0.28
assign ( resi  46 and name hn   ) ( resi  46 and name hb1  ) 3.25 1.45 0.25
assign ( resi  46 and name hn   ) ( resi  46 and name hg2  ) 3.18 1.38 0.32
assign ( resi  46 and name hn   ) ( resi  47 and name hd1  ) 4.60 2.8  0.4
assign ( resi  46 and name hn   ) ( resi  47 and name hd2  ) 4.07 2.27 0.93
assign ( resi  46 and name hn   ) ( resi  49 and name hg1# ) 3.89 2.09 2.11
assign ( resi  46 and name hn   ) ( resi  49 and name hg2# ) 3.44 1.64 1.06
assign ( resi  47 and name ha   ) ( resi  47 and name hb1  ) 2.53 0.73 0.17
assign ( resi  47 and name ha   ) ( resi  47 and name hb2  ) 3.48 1.68 0.02
assign ( resi  47 and name hb1  ) ( resi  47 and name hg2  ) 2.16 0.36 0.54
assign ( resi  47 and name hd1  ) ( resi  47 and name hb1  ) 3.48 1.68 0.02
assign ( resi  47 and name hd1  ) ( resi  47 and name hg1  ) 2.93 1.13 0.57
assign ( resi  47 and name hd1  ) ( resi  47 and name hg2  ) 3.53 1.73 1.47
assign ( resi  47 and name hd2  ) ( resi  47 and name hb1  ) 3.61 1.81 1.39
assign ( resi  47 and name hd2  ) ( resi  47 and name hb2  ) 2.87 1.07 0.63
assign ( resi  47 and name hd2  ) ( resi  47 and name hd1  ) 2.33 0.53 0.37
assign ( resi  47 and name hd2  ) ( resi  47 and name hg1  ) 2.82 1.02 0.68
assign ( resi  48 and name ha1  ) ( resi  48 and name ha2  ) 2.14 0.34 0.56
assign ( resi  48 and name hn   ) ( resi  47 and name ha   ) 2.37 0.57 0.33
assign ( resi  48 and name hn   ) ( resi  48 and name ha2  ) 2.76 0.96 0.74
assign ( resi  48 and name hn   ) ( resi  49 and name hn   ) 2.69 0.89 0.01
assign ( resi  49 and name ha   ) ( resi  28 and name hb1  ) 3.18 1.38 0.32
assign ( resi  49 and name ha   ) ( resi  28 and name hb2  ) 3.19 1.39 0.31
assign ( resi  49 and name ha   ) ( resi  49 and name hb   ) 3.07 1.27 0.43
assign ( resi  49 and name ha   ) ( resi  49 and name hg1# ) 2.73 0.93 1.77
assign ( resi  49 and name ha   ) ( resi  49 and name hg2# ) 2.67 0.87 1.03
assign ( resi  49 and name hb   ) ( resi  49 and name hg1# ) 2.34 0.54 1.36
assign ( resi  49 and name hb   ) ( resi  49 and name hg2# ) 2.44 0.64 1.26
assign ( resi  49 and name hg2# ) ( resi  49 and name hg1# ) 2.61 0.81 1.09
assign ( resi  49 and name hn   ) ( resi  45 and name hg*  ) 4.79 2.99 2.61
assign ( resi  49 and name hn   ) ( resi  48 and name ha2  ) 3.43 1.63 0.06
assign ( resi  49 and name hn   ) ( resi  49 and name ha   ) 3.24 1.44 0.26
assign ( resi  49 and name hn   ) ( resi  49 and name hb   ) 2.67 0.87 0.03
assign ( resi  49 and name hn   ) ( resi  49 and name hg1# ) 3.19 1.39 1.31
assign ( resi  49 and name hn   ) ( resi  49 and name hg2# ) 2.82 1.02 1.68
assign ( resi  50 and name ha   ) ( resi  50 and name hb1  ) 2.67 0.87 0.03
assign ( resi  50 and name ha   ) ( resi  50 and name hb2  ) 3.03 1.23 0.47
assign ( resi  50 and name hb1  ) ( resi  50 and name hb2  ) 2.11 0.31 0.59
assign ( resi  50 and name hd21 ) ( resi  50 and name ha   ) 4.29 2.49 0.71
assign ( resi  50 and name hd21 ) ( resi  50 and name hb1  ) 3.35 1.55 0.15
assign ( resi  50 and name hd21 ) ( resi  50 and name hb2  ) 3.08 1.28 0.42
assign ( resi  50 and name hd22 ) ( resi  50 and name hb1  ) 3.88 2.08 1.12
assign ( resi  50 and name hd22 ) ( resi  50 and name hb2  ) 3.66 1.86 1.34
assign ( resi  50 and name hd22 ) ( resi  50 and name hd21 ) 2.25 0.45 0.45
assign ( resi  50 and name hn   ) ( resi  28 and name ha   ) 4.55 2.75 0.45
assign ( resi  50 and name hn   ) ( resi  28 and name hb1  ) 3.85 2.05 1.15
assign ( resi  50 and name hn   ) ( resi  28 and name hb2  ) 4.14 2.34 0.86
assign ( resi  50 and name hn   ) ( resi  49 and name ha   ) 2.52 0.72 0.18
assign ( resi  50 and name hn   ) ( resi  49 and name hb   ) 3.56 1.76 1.44
assign ( resi  50 and name hn   ) ( resi  49 and name hg1# ) 2.86 1.06 1.64
assign ( resi  50 and name hn   ) ( resi  49 and name hg2# ) 3.56 1.76 2.44
assign ( resi  50 and name hn   ) ( resi  49 and name hn   ) 4.01 2.21 0.99
assign ( resi  50 and name hn   ) ( resi  50 and name ha   ) 3.23 1.43 0.27
assign ( resi  50 and name hn   ) ( resi  50 and name hb1  ) 3.53 1.73 1.47
assign ( resi  50 and name hn   ) ( resi  50 and name hb2  ) 3.00 1.2  0.5
assign ( resi  50 and name hn   ) ( resi  50 and name hd21 ) 3.41 1.61 0.08
assign ( resi  50 and name hn   ) ( resi  50 and name hd22 ) 3.79 1.99 1.21
assign ( resi  51 and name ha   ) ( resi  51 and name hb#  ) 3.18 1.38 1.32
assign ( resi  51 and name ha   ) ( resi  51 and name hd1# ) 2.68 0.88 1.02
assign ( resi  51 and name ha   ) ( resi  51 and name hd2# ) 3.07 1.27 1.43
assign ( resi  51 and name ha   ) ( resi  51 and name hg   ) 3.35 1.55 0.15
assign ( resi  51 and name hb#  ) ( resi  51 and name hd1# ) 2.39 0.59 1.31
assign ( resi  51 and name hb#  ) ( resi  51 and name hd2# ) 2.25 0.45 1.45
assign ( resi  51 and name hb#  ) ( resi  51 and name hg   ) 2.69 0.89 1.01
assign ( resi  51 and name hd2# ) ( resi  51 and name hd1# ) 2.57 0.77 1.13
assign ( resi  51 and name hg   ) ( resi  51 and name hd1# ) 2.14 0.34 1.56
assign ( resi  51 and name hn   ) ( resi  50 and name ha   ) 2.40 0.6  0.3
assign ( resi  51 and name hn   ) ( resi  50 and name hb1  ) 3.21 1.41 0.29
assign ( resi  51 and name hn   ) ( resi  50 and name hb2  ) 3.38 1.58 0.12
assign ( resi  51 and name hn   ) ( resi  51 and name ha   ) 3.38 1.58 0.12
assign ( resi  51 and name hn   ) ( resi  51 and name hb#  ) 2.95 1.15 1.55
assign ( resi  51 and name hn   ) ( resi  51 and name hd1# ) 3.44 1.64 1.06
assign ( resi  51 and name hn   ) ( resi  51 and name hd2# ) 3.16 1.36 1.34
assign ( resi  51 and name hn   ) ( resi  51 and name hg   ) 4.07 2.27 0.93
assign ( resi  52 and name ha   ) ( resi  52 and name hb#  ) 2.45 0.65 1.25
assign ( resi  52 and name hd21 ) ( resi  52 and name hb#  ) 3.08 1.28 1.42
assign ( resi  52 and name hd22 ) ( resi  25 and name hb1  ) 3.60 1.8  1.4
assign ( resi  52 and name hd22 ) ( resi  25 and name he#  ) 4.14 2.34 1.86
assign ( resi  52 and name hd22 ) ( resi  25 and name hg#  ) 3.39 1.59 1.11
assign ( resi  52 and name hd22 ) ( resi  26 and name ha   ) 3.87 2.07 1.13
assign ( resi  52 and name hd22 ) ( resi  51 and name ha   ) 3.81 2.01 1.19
assign ( resi  52 and name hd22 ) ( resi  52 and name hb#  ) 2.88 1.08 1.62
assign ( resi  52 and name hn   ) ( resi  24 and name ha   ) 4.22 2.42 0.78
assign ( resi  52 and name hn   ) ( resi  25 and name hn   ) 3.23 1.43 0.27
assign ( resi  52 and name hn   ) ( resi  26 and name ha   ) 3.43 1.63 0.06
assign ( resi  52 and name hn   ) ( resi  51 and name ha   ) 2.56 0.76 0.14
assign ( resi  52 and name hn   ) ( resi  51 and name hb#  ) 3.87 2.07 2.13
assign ( resi  52 and name hn   ) ( resi  51 and name hd1# ) 2.84 1.04 1.66
assign ( resi  52 and name hn   ) ( resi  51 and name hd2# ) 3.35 1.55 1.15
assign ( resi  52 and name hn   ) ( resi  51 and name hg   ) 3.25 1.45 0.25
assign ( resi  52 and name hn   ) ( resi  51 and name hn   ) 3.99 2.19 1.01
assign ( resi  52 and name hn   ) ( resi  52 and name ha   ) 3.62 1.82 1.38
assign ( resi  52 and name hn   ) ( resi  52 and name hb#  ) 2.90 1.1  1.6
assign ( resi  52 and name hn   ) ( resi  52 and name hd21 ) 3.66 1.86 1.34
assign ( resi  52 and name hn   ) ( resi  52 and name hd22 ) 3.14 1.34 0.36
assign ( resi  53 and name ha   ) ( resi  24 and name hb1  ) 3.75 1.95 1.25
assign ( resi  53 and name ha   ) ( resi  24 and name hb2  ) 3.67 1.87 1.33
assign ( resi  53 and name ha   ) ( resi  53 and name hb1  ) 2.83 1.03 0.67
assign ( resi  53 and name ha   ) ( resi  53 and name hb2  ) 2.98 1.18 0.52
assign ( resi  53 and name hb1  ) ( resi  53 and name hb2  ) 2.26 0.46 0.44
assign ( resi  53 and name hn   ) ( resi  24 and name ha   ) 4.03 2.23 0.97
assign ( resi  53 and name hn   ) ( resi  51 and name hd1# ) 3.98 2.18 2.02
assign ( resi  53 and name hn   ) ( resi  51 and name hg   ) 4.11 2.31 0.89
assign ( resi  53 and name hn   ) ( resi  52 and name ha   ) 2.42 0.62 0.28
assign ( resi  53 and name hn   ) ( resi  52 and name hb#  ) 3.17 1.37 1.33
assign ( resi  53 and name hn   ) ( resi  53 and name ha   ) 3.30 1.5  0.2
assign ( resi  53 and name hn   ) ( resi  53 and name hb1  ) 3.33 1.53 0.17
assign ( resi  53 and name hn   ) ( resi  53 and name hb2  ) 3.02 1.22 0.48
assign ( resi  54 and name ha   ) ( resi  54 and name hb1  ) 2.57 0.77 0.13
assign ( resi  54 and name ha   ) ( resi  54 and name hb2  ) 2.64 0.84 0.06
assign ( resi  54 and name ha   ) ( resi  55 and name hb1  ) 4.17 2.37 0.83
assign ( resi  54 and name ha   ) ( resi  55 and name hb2  ) 3.87 2.07 1.13
assign ( resi  54 and name ha   ) ( resi  55 and name hg1  ) 3.62 1.82 1.38
assign ( resi  54 and name ha   ) ( resi  55 and name hg2  ) 4.25 2.45 0.75
assign ( resi  54 and name hb2  ) ( resi  54 and name hb1  ) 2.25 0.45 0.45
assign ( resi  54 and name hn   ) ( resi  22 and name ha   ) 3.87 2.07 1.13
assign ( resi  54 and name hn   ) ( resi  22 and name hb1  ) 4.27 2.47 0.73
assign ( resi  54 and name hn   ) ( resi  22 and name hb2  ) 3.74 1.94 1.26
assign ( resi  54 and name hn   ) ( resi  23 and name hb1  ) 4.34 2.54 0.66
assign ( resi  54 and name hn   ) ( resi  23 and name hn   ) 3.33 1.53 0.17
assign ( resi  54 and name hn   ) ( resi  24 and name ha   ) 3.40 1.6  0.1
assign ( resi  54 and name hn   ) ( resi  53 and name ha   ) 2.51 0.71 0.19
assign ( resi  54 and name hn   ) ( resi  53 and name hb1  ) 3.20 1.4  0.3
assign ( resi  54 and name hn   ) ( resi  53 and name hb2  ) 3.47 1.67 0.02
assign ( resi  54 and name hn   ) ( resi  53 and name hn   ) 4.12 2.32 0.88
assign ( resi  54 and name hn   ) ( resi  54 and name ha   ) 3.17 1.37 0.33
assign ( resi  54 and name hn   ) ( resi  54 and name hb1  ) 3.64 1.84 1.36
assign ( resi  54 and name hn   ) ( resi  54 and name hb2  ) 3.94 2.14 1.06
assign ( resi  54 and name hn   ) ( resi  55 and name hn   ) 4.18 2.38 0.82
assign ( resi  55 and name ha   ) ( resi   1 and name hd1# ) 3.99 2.19 2.01
assign ( resi  55 and name ha   ) ( resi   1 and name hd2# ) 3.76 1.96 2.24
assign ( resi  55 and name ha   ) ( resi  55 and name hb1  ) 3.06 1.26 0.44
assign ( resi  55 and name ha   ) ( resi  55 and name hb2  ) 2.88 1.08 0.62
assign ( resi  55 and name ha   ) ( resi  55 and name he   ) 3.96 2.16 1.04
assign ( resi  55 and name ha   ) ( resi  55 and name hg1  ) 3.66 1.86 1.34
assign ( resi  55 and name ha   ) ( resi  55 and name hg2  ) 3.12 1.32 0.38
assign ( resi  55 and name hb1  ) ( resi  55 and name hg1  ) 2.75 0.95 0.75
assign ( resi  55 and name hb2  ) ( resi  55 and name hb1  ) 2.40 0.6  0.3
assign ( resi  55 and name hb2  ) ( resi  55 and name hg1  ) 2.70 0.9  0.8
assign ( resi  55 and name hd#  ) ( resi  55 and name hb1  ) 3.03 1.23 1.47
assign ( resi  55 and name hd#  ) ( resi  55 and name hg2  ) 2.94 1.14 1.56
assign ( resi  55 and name he   ) ( resi  55 and name hb1  ) 4.25 2.45 0.75
assign ( resi  55 and name he   ) ( resi  55 and name hb2  ) 4.13 2.33 0.87
assign ( resi  55 and name he   ) ( resi  55 and name hd#  ) 3.90 2.1  2.1
assign ( resi  55 and name he   ) ( resi  55 and name hg1  ) 2.78 0.98 0.72
assign ( resi  55 and name he   ) ( resi  55 and name hg2  ) 3.06 1.26 0.44
assign ( resi  55 and name he   ) ( resi  55 and name hg2  ) 4.28 2.48 0.72
assign ( resi  55 and name hg2  ) ( resi  55 and name hg1  ) 2.38 0.58 0.32
assign ( resi  55 and name hn   ) ( resi  54 and name ha   ) 2.63 0.83 0.07
assign ( resi  55 and name hn   ) ( resi  54 and name hb1  ) 3.04 1.24 0.46
assign ( resi  55 and name hn   ) ( resi  54 and name hb2  ) 2.99 1.19 0.51
assign ( resi  55 and name hn   ) ( resi  55 and name ha   ) 3.72 1.92 1.28
assign ( resi  55 and name hn   ) ( resi  55 and name hb1  ) 3.07 1.27 0.43
assign ( resi  55 and name hn   ) ( resi  55 and name hb2  ) 3.33 1.53 0.17
assign ( resi  55 and name hn   ) ( resi  55 and name hg1  ) 3.27 1.47 0.23
assign ( resi  55 and name hn   ) ( resi  55 and name hg2  ) 3.31 1.51 0.19
assign ( resi  55 and name hn   ) ( resi  56 and name hg2# ) 3.99 2.19 2.01
assign ( resi  55 and name hn   ) ( resi  56 and name hn   ) 3.08 1.28 0.42
assign ( resi  56 and name ha   ) ( resi   1 and name hd2# ) 3.47 1.67 1.03
assign ( resi  56 and name ha   ) ( resi  56 and name hb   ) 3.36 1.56 0.14
assign ( resi  56 and name ha   ) ( resi  56 and name hg2# ) 2.84 1.04 1.66
assign ( resi  56 and name hb   ) ( resi  56 and name hg2# ) 2.53 0.73 1.17
assign ( resi  56 and name hn   ) ( resi  54 and name ha   ) 3.79 1.99 1.21
assign ( resi  56 and name hn   ) ( resi  55 and name ha   ) 3.52 1.72 1.48
assign ( resi  56 and name hn   ) ( resi  55 and name hb1  ) 4.11 2.31 0.89
assign ( resi  56 and name hn   ) ( resi  55 and name hb2  ) 4.33 2.53 0.67
assign ( resi  56 and name hn   ) ( resi  55 and name hg1  ) 4.95 3.15 0.04
assign ( resi  56 and name hn   ) ( resi  55 and name hg2  ) 4.58 2.78 0.42
assign ( resi  56 and name hn   ) ( resi  56 and name ha   ) 3.71 1.91 1.29
assign ( resi  56 and name hn   ) ( resi  56 and name hb   ) 4.10 2.3  0.9
assign ( resi  56 and name hn   ) ( resi  56 and name hg2# ) 3.12 1.32 1.38
assign ( resi  56 and name hn   ) ( resi  59 and name ha   ) 4.44 2.64 0.56
assign ( resi  56 and name hn   ) ( resi  59 and name hb1  ) 3.46 1.66 0.04
assign ( resi  56 and name hn   ) ( resi  59 and name hb2  ) 3.47 1.67 0.02
assign ( resi  57 and name ha   ) ( resi   1 and name hd1# ) 4.47 2.67 1.53
assign ( resi  57 and name ha   ) ( resi   1 and name hd2# ) 3.07 1.27 1.43
assign ( resi  57 and name ha   ) ( resi  57 and name hb1  ) 3.25 1.45 0.25
assign ( resi  57 and name ha   ) ( resi  57 and name hb2  ) 3.21 1.41 0.29
assign ( resi  57 and name ha   ) ( resi  58 and name ha   ) 3.63 1.83 1.37
assign ( resi  57 and name hb1  ) ( resi   1 and name hd1# ) 4.47 2.67 1.53
assign ( resi  57 and name hb1  ) ( resi   1 and name hd2# ) 3.74 1.94 2.26
assign ( resi  57 and name hb1  ) ( resi  57 and name hb2  ) 2.31 0.51 0.39
assign ( resi  57 and name hb2  ) ( resi   1 and name hd1# ) 3.70 1.9  2.3
assign ( resi  57 and name hb2  ) ( resi   1 and name hd2# ) 4.03 2.23 1.97
assign ( resi  57 and name hn   ) ( resi  56 and name ha   ) 3.19 1.39 0.31
assign ( resi  57 and name hn   ) ( resi  56 and name hb   ) 3.11 1.31 0.39
assign ( resi  57 and name hn   ) ( resi  56 and name hg2# ) 3.42 1.62 1.08
assign ( resi  57 and name hn   ) ( resi  56 and name hn   ) 4.04 2.24 0.96
assign ( resi  57 and name hn   ) ( resi  57 and name ha   ) 3.71 1.91 1.29
assign ( resi  57 and name hn   ) ( resi  57 and name hb1  ) 2.89 1.09 0.61
assign ( resi  57 and name hn   ) ( resi  57 and name hb2  ) 3.29 1.49 0.21
assign ( resi  58 and name ha   ) ( resi  58 and name hb1  ) 2.73 0.93 0.77
assign ( resi  58 and name ha   ) ( resi  58 and name hb2  ) 3.16 1.36 0.34
assign ( resi  58 and name ha   ) ( resi  58 and name hg1  ) 3.04 1.24 0.46
assign ( resi  58 and name ha   ) ( resi  58 and name hg2  ) 2.78 0.98 0.72
assign ( resi  58 and name hb1  ) ( resi  58 and name hg1  ) 2.84 1.04 0.66
assign ( resi  58 and name hb1  ) ( resi  58 and name hg2  ) 2.36 0.56 0.34
assign ( resi  58 and name hb2  ) ( resi  58 and name hb1  ) 2.50 0.7  0.2
assign ( resi  58 and name hb2  ) ( resi  58 and name hg1  ) 2.91 1.11 0.59
assign ( resi  58 and name hb2  ) ( resi  58 and name hg2  ) 2.81 1.01 0.69
assign ( resi  58 and name he   ) ( resi  58 and name hb1  ) 3.65 1.85 1.35
assign ( resi  58 and name he   ) ( resi  58 and name hb2  ) 3.54 1.74 1.46
assign ( resi  58 and name he   ) ( resi  58 and name hd1  ) 3.18 1.38 0.32
assign ( resi  58 and name he   ) ( resi  58 and name hd2  ) 3.30 1.5  0.2
assign ( resi  58 and name he   ) ( resi  58 and name hg1  ) 3.88 2.08 1.12
assign ( resi  58 and name he   ) ( resi  58 and name hg2  ) 3.75 1.95 1.25
assign ( resi  58 and name hn   ) ( resi   2 and name hn   ) 4.36 2.56 0.64
assign ( resi  58 and name hn   ) ( resi   3 and name ha   ) 3.74 1.94 1.26
assign ( resi  58 and name hn   ) ( resi  57 and name ha   ) 2.93 1.13 0.57
assign ( resi  58 and name hn   ) ( resi  57 and name hb1  ) 3.96 2.16 1.04
assign ( resi  58 and name hn   ) ( resi  57 and name hb2  ) 3.57 1.77 1.43
assign ( resi  58 and name hn   ) ( resi  57 and name hn   ) 4.31 2.51 0.69
assign ( resi  58 and name hn   ) ( resi  58 and name ha   ) 2.80 1    0.7
assign ( resi  58 and name hn   ) ( resi  58 and name hb1  ) 3.52 1.72 1.48
assign ( resi  58 and name hn   ) ( resi  58 and name hb2  ) 4.06 2.26 0.94
assign ( resi  58 and name hn   ) ( resi  58 and name hg1  ) 3.58 1.78 1.42
assign ( resi  58 and name hn   ) ( resi  58 and name hg2  ) 3.34 1.54 0.16
assign ( resi  58 and name hn   ) ( resi  59 and name hn   ) 3.28 1.48 0.22
assign ( resi  59 and name ha   ) ( resi  59 and name hb1  ) 2.69 0.89 0.01
assign ( resi  59 and name hb2  ) ( resi  59 and name hb1  ) 2.41 0.61 0.29
assign ( resi  59 and name hn   ) ( resi  57 and name ha   ) 4.17 2.37 0.83
assign ( resi  59 and name hn   ) ( resi  58 and name ha   ) 3.33 1.53 0.17
assign ( resi  59 and name hn   ) ( resi  58 and name hb1  ) 4.18 2.38 0.82
assign ( resi  59 and name hn   ) ( resi  58 and name hb2  ) 4.36 2.56 0.64
assign ( resi  59 and name hn   ) ( resi  58 and name hg1  ) 4.43 2.63 0.57
assign ( resi  59 and name hn   ) ( resi  59 and name ha   ) 3.01 1.21 0.49
assign ( resi  59 and name hn   ) ( resi  59 and name hb1  ) 3.20 1.4  0.3
assign ( resi  59 and name hn   ) ( resi  59 and name hb2  ) 3.01 1.21 0.49
assign ( resi  60 and name ha   ) ( resi  25 and name hb1  ) 3.45 1.65 0.04
assign ( resi  60 and name ha   ) ( resi  25 and name hb2  ) 3.61 1.81 1.39
assign ( resi  60 and name ha   ) ( resi  60 and name hb1  ) 2.68 0.88 0.02
assign ( resi  60 and name ha   ) ( resi  60 and name hb2  ) 2.58 0.78 0.12
assign ( resi  60 and name hb1  ) ( resi  60 and name hb2  ) 2.58 0.78 0.12
assign ( resi  60 and name hd21 ) ( resi   3 and name hb1  ) 4.05 2.25 0.95
assign ( resi  60 and name hd21 ) ( resi  39 and name hn   ) 3.43 1.63 0.06
assign ( resi  60 and name hd21 ) ( resi  60 and name hb1  ) 3.34 1.54 0.16
assign ( resi  60 and name hd21 ) ( resi  60 and name hb2  ) 3.69 1.89 1.31
assign ( resi  60 and name hd21 ) ( resi  60 and name hd22 ) 2.80 1    0.7
assign ( resi  60 and name hd22 ) ( resi   3 and name hb1  ) 3.44 1.64 0.06
assign ( resi  60 and name hd22 ) ( resi   3 and name hb2  ) 4.03 2.23 0.97
assign ( resi  60 and name hd22 ) ( resi  39 and name hn   ) 3.66 1.86 1.34
assign ( resi  60 and name hd22 ) ( resi  60 and name hb1  ) 3.82 2.02 1.18
assign ( resi  60 and name hd22 ) ( resi  60 and name hb2  ) 4.41 2.61 0.59
assign ( resi  60 and name hn   ) ( resi   4 and name hd2  ) 3.26 1.46 0.24
assign ( resi  60 and name hn   ) ( resi  59 and name ha   ) 3.84 2.04 1.16
assign ( resi  60 and name hn   ) ( resi  59 and name hn   ) 3.07 1.27 0.43
assign ( resi  60 and name hn   ) ( resi  60 and name hb1  ) 3.37 1.57 0.13
assign ( resi  60 and name hn   ) ( resi  60 and name hb2  ) 3.54 1.74 1.46
assign ( resi  60 and name hn   ) ( resi  61 and name hn   ) 3.55 1.75 1.45
assign ( resi  61 and name ha   ) ( resi  61 and name hb1  ) 3.07 1.27 0.43
assign ( resi  61 and name ha   ) ( resi  61 and name hb2  ) 2.78 0.98 0.72
assign ( resi  61 and name hd21 ) ( resi  61 and name ha   ) 4.77 2.97 0.23
assign ( resi  61 and name hd21 ) ( resi  61 and name hb1  ) 3.18 1.38 0.32
assign ( resi  61 and name hd21 ) ( resi  61 and name hb2  ) 3.45 1.65 0.04
assign ( resi  61 and name hd21 ) ( resi  61 and name hd22 ) 2.19 0.39 0.51
assign ( resi  61 and name hd22 ) ( resi  61 and name hb1  ) 3.69 1.89 1.31
assign ( resi  61 and name hd22 ) ( resi  61 and name hb2  ) 3.85 2.05 1.15
assign ( resi  61 and name hn   ) ( resi  59 and name ha   ) 4.00 2.2  1
assign ( resi  61 and name hn   ) ( resi  61 and name ha   ) 3.11 1.31 0.39
assign ( resi  61 and name hn   ) ( resi  61 and name hb1  ) 2.95 1.15 0.55
assign ( resi  61 and name hn   ) ( resi  61 and name hb2  ) 3.15 1.35 0.35
assign ( resi  61 and name hn   ) ( resi  61 and name hd22 ) 4.35 2.55 0.65


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LEU   1          1HT       LEU   1   3.240  15.280   0.971
    2   2H    LEU   1          2HT       LEU   1   4.764  14.491   0.906
    3   3H    LEU   1          3HT       LEU   1   3.463  13.781   1.773
    4    HA   LEU   1           HA       LEU   1   3.356  14.326  -1.108
    5   1HB   LEU   1          2HB       LEU   1   5.190  12.687   0.017
    6   2HB   LEU   1          1HB       LEU   1   3.833  11.582  -0.110
    7    HG   LEU   1           HG       LEU   1   4.667  13.167  -2.508
    8   1HD1  LEU   1          1HD1      LEU   1   5.970  10.873  -2.945
    9   2HD1  LEU   1          2HD1      LEU   1   6.184  10.995  -1.199
   10   3HD1  LEU   1          3HD1      LEU   1   6.739  12.300  -2.248
   11   1HD2  LEU   1          1HD2      LEU   1   3.982  10.772  -3.423
   12   2HD2  LEU   1          2HD2      LEU   1   2.785  12.016  -3.068
   13   3HD2  LEU   1          3HD2      LEU   1   3.089  10.728  -1.902
   14    H    GLU   2           H        GLU   2   1.512  13.553  -2.060
   15    HA   GLU   2           HA       GLU   2  -0.626  12.780  -0.230
   16   1HB   GLU   2          2HB       GLU   2  -0.466  14.320  -2.647
   17   2HB   GLU   2          1HB       GLU   2  -1.609  13.004  -2.877
   18   1HG   GLU   2          2HG       GLU   2  -3.123  13.914  -1.510
   19   2HG   GLU   2          1HG       GLU   2  -1.909  14.413  -0.333
   20    H    CYS   3           H        CYS   3   0.074  10.614   0.131
   21    HA   CYS   3           HA       CYS   3   0.130   8.797  -2.131
   22   1HB   CYS   3          2HB       CYS   3   0.669   8.504   0.817
   23   2HB   CYS   3          1HB       CYS   3   0.558   7.107  -0.249
   24    H    HIS   4           H        HIS   4  -0.956   6.532  -1.385
   25    HA   HIS   4           HA       HIS   4  -3.787   7.189  -0.954
   26   1HB   HIS   4          2HB       HIS   4  -2.402   5.014  -2.494
   27   2HB   HIS   4          1HB       HIS   4  -4.073   4.808  -1.962
   28    HD1  HIS   4           1HD      HIS   4  -5.501   7.234  -2.643
   29    HD2  HIS   4           2HD      HIS   4  -2.391   5.875  -5.041
   30    HE1  HIS   4           1HE      HIS   4  -5.879   8.289  -4.894
   31    HE2  HIS   4           2HE      HIS   4  -4.048   7.365  -6.357
   32    H    ASN   5           H        ASN   5  -5.081   5.794   0.347
   33    HA   ASN   5           HA       ASN   5  -3.744   3.846   2.032
   34   1HB   ASN   5          2HB       ASN   5  -4.545   4.923   4.129
   35   2HB   ASN   5          1HB       ASN   5  -3.325   5.880   3.284
   36   1HD2  ASN   5          1HD2      ASN   5  -4.051   7.683   2.020
   37   2HD2  ASN   5          2HD2      ASN   5  -5.504   8.522   2.470
   38    H    GLN   6           H        GLN   6  -5.571   3.266   0.160
   39    HA   GLN   6           HA       GLN   6  -8.058   2.808   1.675
   40   1HB   GLN   6          2HB       GLN   6  -9.165   2.619  -0.565
   41   2HB   GLN   6          1HB       GLN   6  -8.551   4.222  -0.191
   42   1HG   GLN   6          2HG       GLN   6  -7.392   4.222  -2.069
   43   2HG   GLN   6          1HG       GLN   6  -6.494   2.807  -1.523
   44   1HE2  GLN   6          1HE2      GLN   6  -6.397   2.215  -3.760
   45   2HE2  GLN   6          2HE2      GLN   6  -7.747   1.418  -4.506
   46    H    GLN   7           H        GLN   7  -8.200   0.778   2.349
   47    HA   GLN   7           HA       GLN   7  -6.707  -1.340   1.103
   48   1HB   GLN   7          2HB       GLN   7  -7.926  -2.730   2.864
   49   2HB   GLN   7          1HB       GLN   7  -6.822  -1.496   3.446
   50   1HG   GLN   7          2HG       GLN   7  -8.545  -0.125   4.174
   51   2HG   GLN   7          1HG       GLN   7  -9.739  -0.915   3.144
   52   1HE2  GLN   7          1HE2      GLN   7  -8.974  -0.479   6.218
   53   2HE2  GLN   7          2HE2      GLN   7  -9.510  -1.980   6.909
   54    H    SER   8           H        SER   8  -7.619  -3.271   0.232
   55    HA   SER   8           HA       SER   8  -9.009  -4.443  -1.134
   56   1HB   SER   8          2HB       SER   8 -11.314  -2.948   0.117
   57   2HB   SER   8          1HB       SER   8 -11.305  -4.584  -0.553
   58    HG   SER   8           HG       SER   8 -10.418  -5.329   1.238
   59    H    SER   9           H        SER   9 -11.409  -3.770  -2.394
   60    HA   SER   9           HA       SER   9 -10.449  -1.725  -4.252
   61   1HB   SER   9          2HB       SER   9 -12.608  -2.727  -5.505
   62   2HB   SER   9          1HB       SER   9 -11.015  -3.475  -5.605
   63    HG   SER   9           HG       SER   9 -13.235  -4.230  -4.041
   64    H    GLN  10           H        GLN  10 -11.645  -1.031  -1.667
   65    HA   GLN  10           HA       GLN  10 -14.305  -0.099  -2.129
   66   1HB   GLN  10          2HB       GLN  10 -12.291   0.147   0.041
   67   2HB   GLN  10          1HB       GLN  10 -13.584   1.346  -0.008
   68   1HG   GLN  10          2HG       GLN  10 -14.538  -1.378  -0.334
   69   2HG   GLN  10          1HG       GLN  10 -13.687  -1.120   1.190
   70   1HE2  GLN  10          1HE2      GLN  10 -15.262  -1.008   2.650
   71   2HE2  GLN  10          2HE2      GLN  10 -16.611   0.083   2.587
   72    H    ALA  11           H        ALA  11 -14.559   2.409  -1.381
   73    HA   ALA  11           HA       ALA  11 -13.825   3.917  -3.627
   74   1HB   ALA  11          1HB       ALA  11 -14.528   5.196  -1.014
   75   2HB   ALA  11          2HB       ALA  11 -15.732   4.283  -1.924
   76   3HB   ALA  11          3HB       ALA  11 -14.959   5.692  -2.651
   77    HA   PRO  12           HA       PRO  12  -9.445   4.509  -2.660
   78   1HB   PRO  12          2HB       PRO  12 -10.070   6.674  -4.642
   79   2HB   PRO  12          1HB       PRO  12  -8.645   5.630  -4.536
   80   1HG   PRO  12          2HG       PRO  12 -10.511   5.049  -6.295
   81   2HG   PRO  12          1HG       PRO  12  -9.809   3.753  -5.297
   82   1HD   PRO  12          2HD       PRO  12 -12.472   5.094  -5.057
   83   2HD   PRO  12          1HD       PRO  12 -12.031   3.394  -4.779
   84    H    THR  13           H        THR  13  -8.107   6.415  -2.013
   85    HA   THR  13           HA       THR  13  -9.458   8.783  -1.100
   86    HB   THR  13           HB       THR  13 -10.059   7.280   0.713
   87    HG1  THR  13           1HG      THR  13  -9.217   8.491   2.385
   88   1HG2  THR  13          1HG2      THR  13  -7.698   6.778   2.076
   89   2HG2  THR  13          2HG2      THR  13  -7.367   6.308   0.409
   90   3HG2  THR  13          3HG2      THR  13  -8.734   5.601   1.270
   91    H    THR  14           H        THR  14  -7.931  10.292  -0.004
   92    HA   THR  14           HA       THR  14  -5.119   9.741  -0.626
   93    HB   THR  14           HB       THR  14  -4.839  11.928  -1.655
   94    HG1  THR  14           1HG      THR  14  -6.558  13.294  -1.953
   95   1HG2  THR  14          1HG2      THR  14  -7.024  10.257  -2.841
   96   2HG2  THR  14          2HG2      THR  14  -5.323  10.339  -3.300
   97   3HG2  THR  14          3HG2      THR  14  -6.395  11.698  -3.640
   98    H    LYS  15           H        LYS  15  -3.609  10.895   0.612
   99    HA   LYS  15           HA       LYS  15  -4.456  12.806   2.582
  100   1HB   LYS  15          2HB       LYS  15  -4.643  10.118   3.302
  101   2HB   LYS  15          1HB       LYS  15  -3.131  10.655   4.018
  102   1HG   LYS  15          2HG       LYS  15  -4.961  12.683   4.579
  103   2HG   LYS  15          1HG       LYS  15  -5.840  11.176   4.839
  104   1HD   LYS  15          2HD       LYS  15  -4.881  11.200   6.868
  105   2HD   LYS  15          1HD       LYS  15  -3.440  10.635   6.022
  106   1HE   LYS  15          2HE       LYS  15  -2.363  12.473   6.646
  107   2HE   LYS  15          1HE       LYS  15  -3.532  13.453   5.762
  108   1HZ   LYS  15          1HZ       LYS  15  -3.150  13.675   8.365
  109   2HZ   LYS  15          2HZ       LYS  15  -4.353  12.486   8.384
  110   3HZ   LYS  15          3HZ       LYS  15  -4.649  13.975   7.637
  111    H    THR  16           H        THR  16  -2.611  13.555   3.925
  112    HA   THR  16           HA       THR  16  -0.094  13.288   2.421
  113    HB   THR  16           HB       THR  16  -1.060  15.547   2.390
  114    HG1  THR  16           1HG      THR  16   0.972  16.021   2.348
  115   1HG2  THR  16          1HG2      THR  16  -1.898  15.138   4.920
  116   2HG2  THR  16          2HG2      THR  16  -1.735  16.725   4.167
  117   3HG2  THR  16          3HG2      THR  16  -0.448  16.102   5.201
  118    H    CYS  17           H        CYS  17   1.825  12.931   3.491
  119    HA   CYS  17           HA       CYS  17   1.558  12.081   6.295
  120   1HB   CYS  17          2HB       CYS  17   3.280  11.151   4.024
  121   2HB   CYS  17          1HB       CYS  17   3.838  10.925   5.683
  122    H    SER  18           H        SER  18   3.138  12.665   7.815
  123    HA   SER  18           HA       SER  18   4.784  14.979   7.028
  124   1HB   SER  18          2HB       SER  18   4.542  15.239   9.734
  125   2HB   SER  18          1HB       SER  18   3.495  16.039   8.561
  126    HG   SER  18           HG       SER  18   2.301  14.909  10.154
  127    H    GLY  19           H        GLY  19   6.470  13.443   6.475
  128   1HA   GLY  19          2HA       GLY  19   8.597  13.282   8.076
  129   2HA   GLY  19          1HA       GLY  19   7.645  11.920   8.662
  130    H    GLU  20           H        GLU  20   6.966  10.322   6.982
  131    HA   GLU  20           HA       GLU  20   9.193   9.309   5.631
  132   1HB   GLU  20          2HB       GLU  20   6.288   8.689   5.695
  133   2HB   GLU  20          1HB       GLU  20   7.211   8.047   4.336
  134   1HG   GLU  20          2HG       GLU  20   7.329   6.332   5.862
  135   2HG   GLU  20          1HG       GLU  20   8.835   7.198   6.165
  136    H    THR  21           H        THR  21   9.792   9.256   3.472
  137    HA   THR  21           HA       THR  21   8.654  11.416   1.837
  138    HB   THR  21           HB       THR  21  11.322  10.013   1.588
  139    HG1  THR  21           1HG      THR  21  12.118  12.019   2.368
  140   1HG2  THR  21          1HG2      THR  21   9.939  11.711  -0.243
  141   2HG2  THR  21          2HG2      THR  21  11.523  10.951  -0.399
  142   3HG2  THR  21          3HG2      THR  21  11.376  12.535   0.364
  143    H    ASN  22           H        ASN  22   9.343   7.993   1.901
  144    HA   ASN  22           HA       ASN  22   8.099   7.729  -0.756
  145   1HB   ASN  22          2HB       ASN  22   9.300   5.300  -0.334
  146   2HB   ASN  22          1HB       ASN  22   9.999   6.626  -1.262
  147   1HD2  ASN  22          1HD2      ASN  22   9.780   5.322   2.007
  148   2HD2  ASN  22          2HD2      ASN  22  11.376   5.798   2.495
  149    H    CYS  23           H        CYS  23   6.536   6.138  -1.076
  150    HA   CYS  23           HA       CYS  23   5.315   5.103   1.382
  151   1HB   CYS  23          2HB       CYS  23   4.164   6.046  -1.235
  152   2HB   CYS  23          1HB       CYS  23   3.240   5.028  -0.138
  153    H    TYR  24           H        TYR  24   3.576   3.257   0.243
  154    HA   TYR  24           HA       TYR  24   5.042   1.527  -1.527
  155   1HB   TYR  24          2HB       TYR  24   5.174  -0.379   0.014
  156   2HB   TYR  24          1HB       TYR  24   6.134   0.985   0.588
  157    HD1  TYR  24           1HD      TYR  24   5.973   1.542   2.819
  158    HD2  TYR  24           2HD      TYR  24   2.683  -0.424   0.973
  159    HE1  TYR  24           1HE      TYR  24   4.820   1.445   4.989
  160    HE2  TYR  24           2HE      TYR  24   1.521  -0.521   3.135
  161    HH   TYR  24           HH       TYR  24   2.058  -0.469   5.517
  162    H    LYS  25           H        LYS  25   3.876  -0.733  -1.492
  163    HA   LYS  25           HA       LYS  25   1.043  -0.623  -1.010
  164   1HB   LYS  25          2HB       LYS  25   1.569   0.541  -3.296
  165   2HB   LYS  25          1HB       LYS  25   1.819  -1.109  -3.867
  166   1HG   LYS  25          2HG       LYS  25  -0.521  -1.516  -2.772
  167   2HG   LYS  25          1HG       LYS  25  -0.683   0.229  -2.976
  168   1HD   LYS  25          2HD       LYS  25  -0.907   0.062  -5.205
  169   2HD   LYS  25          1HD       LYS  25   0.363  -1.155  -5.334
  170   1HE   LYS  25          2HE       LYS  25  -1.112  -2.912  -4.880
  171   2HE   LYS  25          1HE       LYS  25  -2.331  -1.833  -4.205
  172   1HZ   LYS  25          1HZ       LYS  25  -1.827  -1.103  -6.876
  173   2HZ   LYS  25          2HZ       LYS  25  -3.265  -1.673  -6.191
  174   3HZ   LYS  25          3HZ       LYS  25  -2.137  -2.765  -6.818
  175    H    LYS  26           H        LYS  26   0.633  -2.566  -0.209
  176    HA   LYS  26           HA       LYS  26   2.138  -4.861  -1.279
  177   1HB   LYS  26          2HB       LYS  26   1.170  -5.755   1.110
  178   2HB   LYS  26          1HB       LYS  26   2.773  -5.100   0.859
  179   1HG   LYS  26          2HG       LYS  26   2.145  -2.979   1.700
  180   2HG   LYS  26          1HG       LYS  26   0.434  -3.408   1.680
  181   1HD   LYS  26          2HD       LYS  26   0.803  -5.066   3.414
  182   2HD   LYS  26          1HD       LYS  26   2.536  -4.735   3.393
  183   1HE   LYS  26          2HE       LYS  26   1.800  -2.294   3.908
  184   2HE   LYS  26          1HE       LYS  26   0.294  -3.048   4.428
  185   1HZ   LYS  26          1HZ       LYS  26   3.008  -3.628   5.486
  186   2HZ   LYS  26          2HZ       LYS  26   1.598  -4.440   5.949
  187   3HZ   LYS  26          3HZ       LYS  26   1.775  -2.792   6.289
  188    H    TRP  27           H        TRP  27   1.062  -6.871  -1.470
  189    HA   TRP  27           HA       TRP  27  -1.770  -7.036  -1.081
  190   1HB   TRP  27          2HB       TRP  27  -2.311  -7.535  -3.459
  191   2HB   TRP  27          1HB       TRP  27  -1.868  -5.873  -3.179
  192    HD1  TRP  27           HD       TRP  27  -0.885  -8.900  -5.035
  193    HE1  TRP  27           1HE      TRP  27   1.035  -8.354  -6.642
  194    HE3  TRP  27           3HE      TRP  27   0.246  -4.223  -3.366
  195    HZ2  TRP  27           2HZ      TRP  27   2.809  -6.216  -7.150
  196    HZ3  TRP  27           3HZ      TRP  27   2.063  -2.986  -4.468
  197    HH2  TRP  27           HH       TRP  27   3.319  -3.962  -6.318
  198    H    TRP  28           H        TRP  28  -2.643  -9.128  -1.846
  199    HA   TRP  28           HA       TRP  28  -0.771 -11.245  -2.401
  200   1HB   TRP  28          2HB       TRP  28  -1.372 -12.521  -0.312
  201   2HB   TRP  28          1HB       TRP  28  -0.375 -11.096  -0.035
  202    HD1  TRP  28           HD       TRP  28  -3.835 -12.469   0.602
  203    HE1  TRP  28           1HE      TRP  28  -5.009 -10.943   2.272
  204    HE3  TRP  28           3HE      TRP  28  -0.443  -8.645   0.790
  205    HZ2  TRP  28           2HZ      TRP  28  -4.599  -8.462   3.539
  206    HZ3  TRP  28           3HZ      TRP  28  -0.915  -6.730   2.263
  207    HH2  TRP  28           HH       TRP  28  -2.953  -6.643   3.608
  208    H    SER  29           H        SER  29  -2.021 -13.445  -2.079
  209    HA   SER  29           HA       SER  29  -4.805 -13.082  -2.967
  210   1HB   SER  29          2HB       SER  29  -2.590 -14.621  -4.257
  211   2HB   SER  29          1HB       SER  29  -4.232 -15.271  -4.350
  212    HG   SER  29           HG       SER  29  -4.027 -13.960  -6.093
  213    H    ASP  30           H        ASP  30  -5.632 -13.626  -0.951
  214    HA   ASP  30           HA       ASP  30  -4.877 -16.174   0.239
  215   1HB   ASP  30          2HB       ASP  30  -6.495 -15.460   2.045
  216   2HB   ASP  30          1HB       ASP  30  -5.108 -14.392   1.811
  217    H    HIS  31           H        HIS  31  -6.956 -17.305   1.284
  218    HA   HIS  31           HA       HIS  31  -8.291 -18.575  -0.810
  219   1HB   HIS  31          2HB       HIS  31  -9.873 -19.352   1.068
  220   2HB   HIS  31          1HB       HIS  31  -8.171 -19.781   1.200
  221    HD1  HIS  31           1HD      HIS  31 -10.446 -16.989   2.446
  222    HD2  HIS  31           2HD      HIS  31  -7.158 -19.230   3.640
  223    HE1  HIS  31           1HE      HIS  31  -9.943 -16.245   4.795
  224    HE2  HIS  31           2HE      HIS  31  -8.008 -17.682   5.528
  225    H    ARG  32           H        ARG  32  -9.142 -15.748   1.060
  226    HA   ARG  32           HA       ARG  32 -11.865 -15.632   0.206
  227   1HB   ARG  32          2HB       ARG  32 -10.004 -13.856   1.697
  228   2HB   ARG  32          1HB       ARG  32 -11.409 -13.103   0.944
  229   1HG   ARG  32          2HG       ARG  32 -12.675 -15.083   2.141
  230   2HG   ARG  32          1HG       ARG  32 -11.262 -15.034   3.196
  231   1HD   ARG  32          2HD       ARG  32 -12.999 -12.661   2.532
  232   2HD   ARG  32          1HD       ARG  32 -13.139 -13.629   3.999
  233    HE   ARG  32           HE       ARG  32 -10.504 -12.566   3.562
  234   1HH1  ARG  32          1HH1      ARG  32 -13.660 -11.927   4.907
  235   2HH1  ARG  32          2HH1      ARG  32 -13.080 -10.742   6.030
  236   1HH2  ARG  32          1HH2      ARG  32  -9.738 -11.009   5.036
  237   2HH2  ARG  32          2HH2      ARG  32 -10.853 -10.220   6.102
  238    H    GLY  33           H        GLY  33  -8.824 -14.486  -1.055
  239   1HA   GLY  33          2HA       GLY  33  -9.315 -14.246  -3.641
  240   2HA   GLY  33          1HA       GLY  33 -10.154 -12.813  -3.048
  241    H    THR  34           H        THR  34  -8.964 -11.096  -3.546
  242    HA   THR  34           HA       THR  34  -6.088 -11.179  -2.909
  243    HB   THR  34           HB       THR  34  -7.251  -9.480  -5.106
  244    HG1  THR  34           1HG      THR  34  -7.697 -11.572  -5.718
  245   1HG2  THR  34          1HG2      THR  34  -4.810  -9.335  -4.040
  246   2HG2  THR  34          2HG2      THR  34  -5.143  -9.019  -5.743
  247   3HG2  THR  34          3HG2      THR  34  -4.527 -10.594  -5.243
  248    H    ILE  35           H        ILE  35  -5.297  -9.546  -1.699
  249    HA   ILE  35           HA       ILE  35  -7.066  -7.248  -1.169
  250    HB   ILE  35           HB       ILE  35  -5.331  -8.547   0.926
  251   1HG1  ILE  35          2HG1      ILE  35  -8.316  -8.824   0.507
  252   2HG1  ILE  35          1HG1      ILE  35  -7.124 -10.089   0.230
  253   1HG2  ILE  35          1HG2      ILE  35  -7.052  -7.198   2.358
  254   2HG2  ILE  35          2HG2      ILE  35  -7.250  -6.265   0.875
  255   3HG2  ILE  35          3HG2      ILE  35  -5.664  -6.386   1.637
  256   1HD1  ILE  35          1HD1      ILE  35  -6.519  -9.700   2.720
  257   2HD1  ILE  35          2HD1      ILE  35  -7.955 -10.634   2.301
  258   3HD1  ILE  35          3HD1      ILE  35  -8.112  -8.950   2.800
  259    H    ILE  36           H        ILE  36  -6.009  -5.278  -0.603
  260    HA   ILE  36           HA       ILE  36  -3.108  -5.196  -0.989
  261    HB   ILE  36           HB       ILE  36  -3.203  -3.407  -2.594
  262   1HG1  ILE  36          2HG1      ILE  36  -6.211  -3.629  -2.327
  263   2HG1  ILE  36          1HG1      ILE  36  -5.212  -2.259  -1.852
  264   1HG2  ILE  36          1HG2      ILE  36  -3.473  -4.772  -4.349
  265   2HG2  ILE  36          2HG2      ILE  36  -5.149  -5.131  -3.936
  266   3HG2  ILE  36          3HG2      ILE  36  -3.839  -6.002  -3.142
  267   1HD1  ILE  36          1HD1      ILE  36  -4.550  -2.126  -4.315
  268   2HD1  ILE  36          2HD1      ILE  36  -6.178  -1.614  -3.866
  269   3HD1  ILE  36          3HD1      ILE  36  -5.921  -3.196  -4.604
  270    H    GLU  37           H        GLU  37  -2.111  -3.826   0.399
  271    HA   GLU  37           HA       GLU  37  -3.759  -1.763   1.701
  272   1HB   GLU  37          2HB       GLU  37  -1.823  -2.278   3.561
  273   2HB   GLU  37          1HB       GLU  37  -3.458  -2.935   3.599
  274   1HG   GLU  37          2HG       GLU  37  -2.733  -4.979   2.624
  275   2HG   GLU  37          1HG       GLU  37  -1.133  -4.322   2.290
  276    H    ARG  38           H        ARG  38  -2.440   0.026   2.648
  277    HA   ARG  38           HA       ARG  38   0.054   0.480   1.161
  278   1HB   ARG  38          2HB       ARG  38  -2.197   2.477   1.455
  279   2HB   ARG  38          1HB       ARG  38  -0.630   2.810   0.731
  280   1HG   ARG  38          2HG       ARG  38  -1.382   2.135  -1.231
  281   2HG   ARG  38          1HG       ARG  38  -1.717   0.535  -0.564
  282   1HD   ARG  38          2HD       ARG  38  -3.932   1.086  -0.054
  283   2HD   ARG  38          1HD       ARG  38  -3.620   2.818  -0.164
  284    HE   ARG  38           HE       ARG  38  -4.076   2.698  -2.393
  285   1HH1  ARG  38          1HH1      ARG  38  -3.261  -0.504  -1.269
  286   2HH1  ARG  38          2HH1      ARG  38  -3.614  -1.262  -2.785
  287   1HH2  ARG  38          1HH2      ARG  38  -4.542   1.703  -4.388
  288   2HH2  ARG  38          2HH2      ARG  38  -4.342  -0.009  -4.556
  289    H    GLY  39           H        GLY  39   0.909   2.806   2.012
  290   1HA   GLY  39          2HA       GLY  39   0.542   3.742   4.543
  291   2HA   GLY  39          1HA       GLY  39   1.551   2.323   4.773
  292    H    CYS  40           H        CYS  40   2.316   4.984   5.410
  293    HA   CYS  40           HA       CYS  40   4.139   5.819   3.308
  294   1HB   CYS  40          2HB       CYS  40   3.195   6.978   5.895
  295   2HB   CYS  40          1HB       CYS  40   4.734   7.534   5.233
  296    H    GLY  41           H        GLY  41   5.929   4.638   3.119
  297   1HA   GLY  41          2HA       GLY  41   8.127   4.721   4.635
  298   2HA   GLY  41          1HA       GLY  41   7.204   3.460   5.451
  299    H    CYS  42           H        CYS  42   8.887   1.962   4.924
  300    HA   CYS  42           HA       CYS  42   8.413   0.637   2.424
  301   1HB   CYS  42          2HB       CYS  42  10.064   2.411   1.799
  302   2HB   CYS  42          1HB       CYS  42  11.206   1.680   2.930
  303    HA   PRO  43           HA       PRO  43   9.900  -1.999   5.982
  304   1HB   PRO  43          2HB       PRO  43   7.614  -3.267   6.573
  305   2HB   PRO  43          1HB       PRO  43   7.965  -1.650   7.208
  306   1HG   PRO  43          2HG       PRO  43   6.226  -2.449   4.903
  307   2HG   PRO  43          1HG       PRO  43   5.929  -1.236   6.165
  308   1HD   PRO  43          2HD       PRO  43   6.838  -0.648   3.636
  309   2HD   PRO  43          1HD       PRO  43   7.124   0.373   5.062
  310    H    LYS  44           H        LYS  44   9.102  -4.538   6.187
  311    HA   LYS  44           HA       LYS  44   9.140  -5.648   3.463
  312   1HB   LYS  44          2HB       LYS  44  10.938  -6.333   5.778
  313   2HB   LYS  44          1HB       LYS  44  10.662  -7.463   4.460
  314   1HG   LYS  44          2HG       LYS  44  11.593  -5.926   2.871
  315   2HG   LYS  44          1HG       LYS  44  11.720  -4.667   4.102
  316   1HD   LYS  44          2HD       LYS  44  13.102  -6.705   5.264
  317   2HD   LYS  44          1HD       LYS  44  13.465  -6.965   3.557
  318   1HE   LYS  44          2HE       LYS  44  13.939  -4.474   5.183
  319   2HE   LYS  44          1HE       LYS  44  15.150  -5.530   4.458
  320   1HZ   LYS  44          1HZ       LYS  44  15.003  -3.715   3.026
  321   2HZ   LYS  44          2HZ       LYS  44  13.315  -3.647   3.109
  322   3HZ   LYS  44          3HZ       LYS  44  14.068  -4.902   2.261
  323    H    VAL  45           H        VAL  45   8.945  -8.238   3.804
  324    HA   VAL  45           HA       VAL  45   7.097  -8.944   5.908
  325    HB   VAL  45           HB       VAL  45   5.380  -9.783   4.232
  326   1HG1  VAL  45          1HG1      VAL  45   5.091  -7.809   5.718
  327   2HG1  VAL  45          2HG1      VAL  45   4.190  -7.701   4.205
  328   3HG1  VAL  45          3HG1      VAL  45   5.687  -6.789   4.407
  329   1HG2  VAL  45          1HG2      VAL  45   7.199  -9.097   2.355
  330   2HG2  VAL  45          2HG2      VAL  45   6.172  -7.664   2.348
  331   3HG2  VAL  45          3HG2      VAL  45   5.470  -9.253   2.043
  332    H    LYS  46           H        LYS  46   6.494 -11.248   5.817
  333    HA   LYS  46           HA       LYS  46   8.724 -12.829   5.054
  334   1HB   LYS  46          2HB       LYS  46   6.167 -13.358   6.522
  335   2HB   LYS  46          1HB       LYS  46   7.187 -14.692   6.004
  336   1HG   LYS  46          2HG       LYS  46   8.300 -12.429   7.619
  337   2HG   LYS  46          1HG       LYS  46   7.470 -13.786   8.383
  338   1HD   LYS  46          2HD       LYS  46   9.704 -14.239   6.434
  339   2HD   LYS  46          1HD       LYS  46  10.035 -13.892   8.132
  340   1HE   LYS  46          2HE       LYS  46   9.325 -15.918   8.818
  341   2HE   LYS  46          1HE       LYS  46   8.005 -15.964   7.650
  342   1HZ   LYS  46          1HZ       LYS  46   9.334 -17.569   6.790
  343   2HZ   LYS  46          2HZ       LYS  46  10.765 -16.884   7.376
  344   3HZ   LYS  46          3HZ       LYS  46  10.023 -16.241   5.999
  345    HA   PRO  47           HA       PRO  47   7.769 -14.320   1.034
  346   1HB   PRO  47          2HB       PRO  47   7.798 -17.044   2.177
  347   2HB   PRO  47          1HB       PRO  47   8.752 -16.360   0.870
  348   1HG   PRO  47          2HG       PRO  47   9.601 -16.801   3.474
  349   2HG   PRO  47          1HG       PRO  47  10.436 -15.857   2.238
  350   1HD   PRO  47          2HD       PRO  47   9.245 -14.912   4.630
  351   2HD   PRO  47          1HD       PRO  47   9.964 -13.956   3.321
  352    H    GLY  48           H        GLY  48   5.826 -14.298   0.119
  353   1HA   GLY  48          2HA       GLY  48   3.817 -15.834  -0.170
  354   2HA   GLY  48          1HA       GLY  48   3.578 -15.564   1.556
  355    H    VAL  49           H        VAL  49   4.435 -12.760   1.367
  356    HA   VAL  49           HA       VAL  49   2.007 -11.665   0.105
  357    HB   VAL  49           HB       VAL  49   3.557 -10.415   2.373
  358   1HG1  VAL  49          1HG1      VAL  49   2.102  -8.716   2.292
  359   2HG1  VAL  49          2HG1      VAL  49   0.726  -9.786   2.027
  360   3HG1  VAL  49          3HG1      VAL  49   1.736  -9.296   0.667
  361   1HG2  VAL  49          1HG2      VAL  49   1.559 -11.179   3.753
  362   2HG2  VAL  49          2HG2      VAL  49   2.732 -12.416   3.300
  363   3HG2  VAL  49          3HG2      VAL  49   1.204 -12.287   2.426
  364    H    ASN  50           H        ASN  50   2.206 -10.055  -1.365
  365    HA   ASN  50           HA       ASN  50   4.909  -9.329  -2.176
  366   1HB   ASN  50          2HB       ASN  50   2.485  -8.325  -3.607
  367   2HB   ASN  50          1HB       ASN  50   4.054  -8.800  -4.257
  368   1HD2  ASN  50          1HD2      ASN  50   0.899  -9.833  -3.345
  369   2HD2  ASN  50          2HD2      ASN  50   1.029 -11.464  -3.927
  370    H    LEU  51           H        LEU  51   5.618  -7.203  -2.432
  371    HA   LEU  51           HA       LEU  51   4.024  -4.974  -1.582
  372   1HB   LEU  51          2HB       LEU  51   4.604  -5.786   0.592
  373   2HB   LEU  51          1HB       LEU  51   6.279  -6.011   0.127
  374    HG   LEU  51           HG       LEU  51   6.276  -3.436  -0.228
  375   1HD1  LEU  51          1HD1      LEU  51   3.707  -3.488   0.158
  376   2HD1  LEU  51          2HD1      LEU  51   4.669  -2.169   0.828
  377   3HD1  LEU  51          3HD1      LEU  51   4.151  -3.499   1.866
  378   1HD2  LEU  51          1HD2      LEU  51   6.052  -4.092   2.646
  379   2HD2  LEU  51          2HD2      LEU  51   7.340  -3.271   1.764
  380   3HD2  LEU  51          3HD2      LEU  51   7.206  -5.029   1.698
  381    H    ASN  52           H        ASN  52   4.983  -2.966  -2.113
  382    HA   ASN  52           HA       ASN  52   7.684  -2.915  -3.136
  383   1HB   ASN  52          2HB       ASN  52   7.263  -2.530  -5.389
  384   2HB   ASN  52          1HB       ASN  52   6.079  -3.770  -4.993
  385   1HD2  ASN  52          1HD2      ASN  52   4.043  -2.485  -3.881
  386   2HD2  ASN  52          2HD2      ASN  52   3.381  -1.305  -4.953
  387    H    CYS  53           H        CYS  53   8.584  -1.043  -2.622
  388    HA   CYS  53           HA       CYS  53   6.953   1.153  -1.689
  389   1HB   CYS  53          2HB       CYS  53   9.959   1.087  -1.906
  390   2HB   CYS  53          1HB       CYS  53   8.963   2.055  -0.827
  391    H    CYS  54           H        CYS  54   7.350   3.360  -2.412
  392    HA   CYS  54           HA       CYS  54   8.633   3.837  -4.935
  393   1HB   CYS  54          2HB       CYS  54   6.387   4.762  -5.891
  394   2HB   CYS  54          1HB       CYS  54   6.750   3.042  -6.034
  395    H    ARG  55           H        ARG  55   8.637   5.983  -5.571
  396    HA   ARG  55           HA       ARG  55   8.108   7.831  -3.364
  397   1HB   ARG  55          2HB       ARG  55  10.154   8.714  -5.185
  398   2HB   ARG  55          1HB       ARG  55  10.235   8.442  -3.453
  399   1HG   ARG  55          2HG       ARG  55  10.469   5.954  -4.088
  400   2HG   ARG  55          1HG       ARG  55  10.902   6.583  -5.683
  401   1HD   ARG  55          2HD       ARG  55  12.877   7.430  -4.960
  402   2HD   ARG  55          1HD       ARG  55  12.249   7.816  -3.357
  403    HE   ARG  55           HE       ARG  55  12.319   5.123  -3.331
  404   1HH1  ARG  55          1HH1      ARG  55  14.699   7.534  -4.179
  405   2HH1  ARG  55          2HH1      ARG  55  16.043   6.557  -3.693
  406   1HH2  ARG  55          1HH2      ARG  55  14.088   3.839  -2.692
  407   2HH2  ARG  55          2HH2      ARG  55  15.697   4.460  -2.848
  408    H    THR  56           H        THR  56   6.144   7.344  -5.311
  409    HA   THR  56           HA       THR  56   6.140   9.927  -6.723
  410    HB   THR  56           HB       THR  56   4.607   7.721  -7.962
  411    HG1  THR  56           1HG      THR  56   7.428   7.748  -7.847
  412   1HG2  THR  56          1HG2      THR  56   4.572   9.274  -9.540
  413   2HG2  THR  56          2HG2      THR  56   6.259   8.863  -9.848
  414   3HG2  THR  56          3HG2      THR  56   5.859  10.200  -8.769
  415    H    ASP  57           H        ASP  57   4.096  10.921  -6.986
  416    HA   ASP  57           HA       ASP  57   2.358  10.647  -4.788
  417   1HB   ASP  57          2HB       ASP  57   2.423  12.257  -7.277
  418   2HB   ASP  57          1HB       ASP  57   0.838  12.048  -6.528
  419    H    ARG  58           H        ARG  58   0.696   9.324  -4.438
  420    HA   ARG  58           HA       ARG  58  -0.892   7.726  -4.745
  421   1HB   ARG  58          2HB       ARG  58  -1.070   9.097  -7.432
  422   2HB   ARG  58          1HB       ARG  58  -2.188   7.839  -6.904
  423   1HG   ARG  58          2HG       ARG  58  -2.769   9.272  -4.952
  424   2HG   ARG  58          1HG       ARG  58  -1.774  10.547  -5.658
  425   1HD   ARG  58          2HD       ARG  58  -3.569   9.526  -7.641
  426   2HD   ARG  58          1HD       ARG  58  -4.478   9.952  -6.190
  427    HE   ARG  58           HE       ARG  58  -2.609  11.972  -7.016
  428   1HH1  ARG  58          1HH1      ARG  58  -5.838  10.721  -7.442
  429   2HH1  ARG  58          2HH1      ARG  58  -6.483  12.228  -8.000
  430   1HH2  ARG  58          1HH2      ARG  58  -3.455  13.956  -7.750
  431   2HH2  ARG  58          2HH2      ARG  58  -5.129  14.065  -8.177
  432    H    CYS  59           H        CYS  59   1.929   7.194  -5.444
  433    HA   CYS  59           HA       CYS  59   2.118   5.561  -7.718
  434   1HB   CYS  59          2HB       CYS  59   4.223   4.847  -6.819
  435   2HB   CYS  59          1HB       CYS  59   4.031   6.560  -6.452
  436    H    ASN  60           H        ASN  60   0.950   4.965  -4.496
  437    HA   ASN  60           HA       ASN  60   0.844   2.077  -4.967
  438   1HB   ASN  60          2HB       ASN  60   0.062   2.018  -2.564
  439   2HB   ASN  60          1HB       ASN  60   1.697   2.639  -2.808
  440   1HD2  ASN  60          1HD2      ASN  60   0.852   3.310  -0.514
  441   2HD2  ASN  60          2HD2      ASN  60   0.237   4.933  -0.433
  442    H    ASN  61           H        ASN  61  -0.872   3.955  -6.429
  443    HA   ASN  61           HA       ASN  61  -3.493   3.903  -5.364
  444   1HB   ASN  61          2HB       ASN  61  -4.148   4.470  -7.725
  445   2HB   ASN  61          1HB       ASN  61  -2.960   5.551  -7.013
  446   1HD2  ASN  61          1HD2      ASN  61  -3.649   4.726  -9.826
  447   2HD2  ASN  61          2HD2      ASN  61  -2.123   4.280 -10.525
  Start of MODEL    2
    1   1H    LEU   1          1HT       LEU   1   4.583  15.336  -0.969
    2   2H    LEU   1          2HT       LEU   1   5.748  14.589  -1.983
    3   3H    LEU   1          3HT       LEU   1   5.002  13.693  -0.723
    4    HA   LEU   1           HA       LEU   1   3.485  14.894  -2.919
    5   1HB   LEU   1          2HB       LEU   1   3.623  12.790  -4.078
    6   2HB   LEU   1          1HB       LEU   1   5.242  13.404  -3.796
    7    HG   LEU   1           HG       LEU   1   4.304  11.636  -1.680
    8   1HD1  LEU   1          1HD1      LEU   1   4.789   9.602  -3.197
    9   2HD1  LEU   1          2HD1      LEU   1   4.361  10.690  -4.518
   10   3HD1  LEU   1          3HD1      LEU   1   3.188  10.342  -3.249
   11   1HD2  LEU   1          1HD2      LEU   1   6.493  11.074  -1.567
   12   2HD2  LEU   1          2HD2      LEU   1   6.678  12.585  -2.457
   13   3HD2  LEU   1          3HD2      LEU   1   6.690  11.047  -3.320
   14    H    GLU   2           H        GLU   2   1.789  12.832  -3.315
   15    HA   GLU   2           HA       GLU   2   0.654  12.199  -0.680
   16   1HB   GLU   2          2HB       GLU   2  -0.382  14.181  -2.232
   17   2HB   GLU   2          1HB       GLU   2  -1.307  12.798  -2.801
   18   1HG   GLU   2          2HG       GLU   2  -2.265  12.423  -0.715
   19   2HG   GLU   2          1HG       GLU   2  -1.039  13.375   0.122
   20    H    CYS   3           H        CYS   3   0.547  10.064  -0.527
   21    HA   CYS   3           HA       CYS   3  -0.115   8.516  -2.942
   22   1HB   CYS   3          2HB       CYS   3   0.975   6.648  -1.306
   23   2HB   CYS   3          1HB       CYS   3   1.886   7.546  -2.518
   24    H    HIS   4           H        HIS   4  -0.823   6.141  -2.013
   25    HA   HIS   4           HA       HIS   4  -3.225   6.737  -0.439
   26   1HB   HIS   4          2HB       HIS   4  -2.620   4.314  -2.149
   27   2HB   HIS   4          1HB       HIS   4  -4.166   4.699  -1.386
   28    HD1  HIS   4           1HD      HIS   4  -5.308   6.993  -2.304
   29    HD2  HIS   4           2HD      HIS   4  -2.341   5.296  -4.669
   30    HE1  HIS   4           1HE      HIS   4  -5.596   8.017  -4.582
   31    HE2  HIS   4           2HE      HIS   4  -3.845   6.912  -6.017
   32    H    ASN   5           H        ASN   5  -3.942   5.231   1.174
   33    HA   ASN   5           HA       ASN   5  -2.019   3.314   2.202
   34   1HB   ASN   5          2HB       ASN   5  -2.098   4.318   4.493
   35   2HB   ASN   5          1HB       ASN   5  -1.248   5.313   3.307
   36   1HD2  ASN   5          1HD2      ASN   5  -4.027   5.014   5.342
   37   2HD2  ASN   5          2HD2      ASN   5  -4.617   6.633   5.128
   38    H    GLN   6           H        GLN   6  -4.465   2.826   1.053
   39    HA   GLN   6           HA       GLN   6  -6.143   2.083   3.361
   40   1HB   GLN   6          2HB       GLN   6  -8.087   2.237   1.929
   41   2HB   GLN   6          1HB       GLN   6  -7.193   3.749   1.858
   42   1HG   GLN   6          2HG       GLN   6  -6.432   1.810  -0.196
   43   2HG   GLN   6          1HG       GLN   6  -8.103   2.360  -0.295
   44   1HE2  GLN   6          1HE2      GLN   6  -6.319   2.916  -2.290
   45   2HE2  GLN   6          2HE2      GLN   6  -5.969   4.617  -2.304
   46    H    GLN   7           H        GLN   7  -7.829   0.302   2.294
   47    HA   GLN   7           HA       GLN   7  -6.076  -1.849   1.310
   48   1HB   GLN   7          2HB       GLN   7  -8.127  -3.214   2.395
   49   2HB   GLN   7          1HB       GLN   7  -6.679  -2.783   3.289
   50   1HG   GLN   7          2HG       GLN   7  -9.057  -0.968   3.247
   51   2HG   GLN   7          1HG       GLN   7  -8.982  -2.346   4.346
   52   1HE2  GLN   7          1HE2      GLN   7  -9.116  -0.667   5.989
   53   2HE2  GLN   7          2HE2      GLN   7  -7.657   0.120   6.505
   54    H    SER   8           H        SER   8  -7.776  -3.725   0.510
   55    HA   SER   8           HA       SER   8  -8.992  -2.530  -1.832
   56   1HB   SER   8          2HB       SER   8  -9.168  -4.757  -2.692
   57   2HB   SER   8          1HB       SER   8  -7.597  -4.643  -1.890
   58    HG   SER   8           HG       SER   8  -9.961  -5.884  -0.946
   59    H    SER   9           H        SER   9 -11.166  -3.043  -2.521
   60    HA   SER   9           HA       SER   9 -13.410  -3.393  -2.266
   61   1HB   SER   9          2HB       SER   9 -12.572  -5.275  -0.643
   62   2HB   SER   9          1HB       SER   9 -13.106  -4.162   0.617
   63    HG   SER   9           HG       SER   9 -14.849  -5.412   0.143
   64    H    GLN  10           H        GLN  10 -12.013  -2.123   0.764
   65    HA   GLN  10           HA       GLN  10 -14.118  -0.487   1.509
   66   1HB   GLN  10          2HB       GLN  10 -11.220  -0.588   2.082
   67   2HB   GLN  10          1HB       GLN  10 -12.016   0.950   2.417
   68   1HG   GLN  10          2HG       GLN  10 -13.462  -1.390   3.404
   69   2HG   GLN  10          1HG       GLN  10 -11.867  -1.161   4.127
   70   1HE2  GLN  10          1HE2      GLN  10 -11.510   1.371   4.497
   71   2HE2  GLN  10          2HE2      GLN  10 -12.771   2.105   5.440
   72    H    ALA  11           H        ALA  11 -13.465   2.083   1.720
   73    HA   ALA  11           HA       ALA  11 -13.556   3.006  -1.053
   74   1HB   ALA  11          1HB       ALA  11 -14.612   3.997   1.519
   75   2HB   ALA  11          2HB       ALA  11 -15.329   4.025  -0.091
   76   3HB   ALA  11          3HB       ALA  11 -14.112   5.221   0.352
   77    HA   PRO  12           HA       PRO  12  -9.136   3.967  -0.682
   78   1HB   PRO  12          2HB       PRO  12 -10.053   5.512  -3.083
   79   2HB   PRO  12          1HB       PRO  12  -8.561   4.587  -2.848
   80   1HG   PRO  12          2HG       PRO  12 -10.522   3.496  -4.216
   81   2HG   PRO  12          1HG       PRO  12  -9.666   2.533  -2.987
   82   1HD   PRO  12          2HD       PRO  12 -12.375   3.795  -2.852
   83   2HD   PRO  12          1HD       PRO  12 -11.817   2.238  -2.197
   84    H    THR  13           H        THR  13  -7.876   6.034  -0.711
   85    HA   THR  13           HA       THR  13  -9.292   8.500  -0.288
   86    HB   THR  13           HB       THR  13  -9.616   7.523   1.907
   87    HG1  THR  13           1HG      THR  13  -8.646   9.137   3.113
   88   1HG2  THR  13          1HG2      THR  13  -7.708   5.933   1.841
   89   2HG2  THR  13          2HG2      THR  13  -7.854   6.836   3.349
   90   3HG2  THR  13          3HG2      THR  13  -6.631   7.292   2.163
   91    H    THR  14           H        THR  14  -7.546  10.152   0.705
   92    HA   THR  14           HA       THR  14  -4.862   9.599  -0.242
   93    HB   THR  14           HB       THR  14  -5.106  11.940  -1.514
   94    HG1  THR  14           1HG      THR  14  -7.124  11.934  -2.610
   95   1HG2  THR  14          1HG2      THR  14  -4.369  10.544  -3.070
   96   2HG2  THR  14          2HG2      THR  14  -6.063  10.272  -3.478
   97   3HG2  THR  14          3HG2      THR  14  -5.235   9.177  -2.371
   98    H    LYS  15           H        LYS  15  -3.467  10.469   1.133
   99    HA   LYS  15           HA       LYS  15  -3.840  13.094   2.237
  100   1HB   LYS  15          2HB       LYS  15  -4.936  10.968   3.678
  101   2HB   LYS  15          1HB       LYS  15  -3.411  11.305   4.483
  102   1HG   LYS  15          2HG       LYS  15  -4.587  13.801   4.017
  103   2HG   LYS  15          1HG       LYS  15  -5.887  12.751   4.580
  104   1HD   LYS  15          2HD       LYS  15  -3.616  12.231   6.195
  105   2HD   LYS  15          1HD       LYS  15  -3.800  13.983   6.087
  106   1HE   LYS  15          2HE       LYS  15  -5.277  13.728   7.752
  107   2HE   LYS  15          1HE       LYS  15  -6.374  13.181   6.484
  108   1HZ   LYS  15          1HZ       LYS  15  -6.026  10.969   7.028
  109   2HZ   LYS  15          2HZ       LYS  15  -6.066  11.718   8.544
  110   3HZ   LYS  15          3HZ       LYS  15  -4.583  11.278   7.858
  111    H    THR  16           H        THR  16  -1.946  13.956   3.095
  112    HA   THR  16           HA       THR  16   0.468  12.548   2.326
  113    HB   THR  16           HB       THR  16   0.203  15.296   3.557
  114    HG1  THR  16           1HG      THR  16   0.361  14.629   0.808
  115   1HG2  THR  16          1HG2      THR  16   2.463  14.745   3.652
  116   2HG2  THR  16          2HG2      THR  16   2.300  15.667   2.156
  117   3HG2  THR  16          3HG2      THR  16   2.419  13.907   2.101
  118    H    CYS  17           H        CYS  17   2.313  12.360   3.757
  119    HA   CYS  17           HA       CYS  17   1.475  11.806   6.519
  120   1HB   CYS  17          2HB       CYS  17   3.693  10.669   4.816
  121   2HB   CYS  17          1HB       CYS  17   3.601  10.402   6.559
  122    H    SER  18           H        SER  18   2.318  12.921   8.165
  123    HA   SER  18           HA       SER  18   4.109  15.107   7.612
  124   1HB   SER  18          2HB       SER  18   3.887  15.183  10.289
  125   2HB   SER  18          1HB       SER  18   2.641  15.817   9.215
  126    HG   SER  18           HG       SER  18   2.691  13.214  10.347
  127    H    GLY  19           H        GLY  19   6.176  14.537   7.234
  128   1HA   GLY  19          2HA       GLY  19   8.292  14.232   8.420
  129   2HA   GLY  19          1HA       GLY  19   7.515  12.935   9.327
  130    H    GLU  20           H        GLU  20   6.297  11.483   7.358
  131    HA   GLU  20           HA       GLU  20   8.423   9.945   6.343
  132   1HB   GLU  20          2HB       GLU  20   5.457   9.972   5.967
  133   2HB   GLU  20          1HB       GLU  20   6.443   8.998   4.877
  134   1HG   GLU  20          2HG       GLU  20   6.813   8.749   7.826
  135   2HG   GLU  20          1HG       GLU  20   5.448   7.956   7.041
  136    H    THR  21           H        THR  21   8.106   9.276   3.816
  137    HA   THR  21           HA       THR  21   7.808  11.586   2.111
  138    HB   THR  21           HB       THR  21  10.505  10.247   2.351
  139    HG1  THR  21           1HG      THR  21  11.155  12.273   3.161
  140   1HG2  THR  21          1HG2      THR  21   9.996  12.773   0.854
  141   2HG2  THR  21          2HG2      THR  21   9.727  11.211   0.078
  142   3HG2  THR  21          3HG2      THR  21  11.324  11.622   0.703
  143    H    ASN  22           H        ASN  22   8.951   8.247   2.368
  144    HA   ASN  22           HA       ASN  22   8.077   7.749  -0.382
  145   1HB   ASN  22          2HB       ASN  22   9.312   5.557   1.184
  146   2HB   ASN  22          1HB       ASN  22   9.565   6.028  -0.497
  147   1HD2  ASN  22          1HD2      ASN  22  11.268   5.507   2.019
  148   2HD2  ASN  22          2HD2      ASN  22  12.405   6.816   1.991
  149    H    CYS  23           H        CYS  23   6.748   5.942  -0.889
  150    HA   CYS  23           HA       CYS  23   5.068   4.999   1.336
  151   1HB   CYS  23          2HB       CYS  23   4.316   6.339  -1.171
  152   2HB   CYS  23          1HB       CYS  23   3.403   4.866  -0.842
  153    H    TYR  24           H        TYR  24   3.551   3.132   0.035
  154    HA   TYR  24           HA       TYR  24   5.192   1.467  -1.634
  155   1HB   TYR  24          2HB       TYR  24   5.276  -0.452  -0.077
  156   2HB   TYR  24          1HB       TYR  24   6.207   0.931   0.500
  157    HD1  TYR  24           1HD      TYR  24   2.817  -0.604   0.825
  158    HD2  TYR  24           2HD      TYR  24   5.918   1.632   2.691
  159    HE1  TYR  24           1HE      TYR  24   1.582  -0.676   2.950
  160    HE2  TYR  24           2HE      TYR  24   4.692   1.566   4.821
  161    HH   TYR  24           HH       TYR  24   2.627  -0.383   5.696
  162    H    LYS  25           H        LYS  25   4.133  -0.811  -1.759
  163    HA   LYS  25           HA       LYS  25   1.253  -0.785  -1.442
  164   1HB   LYS  25          2HB       LYS  25   2.062   0.261  -3.751
  165   2HB   LYS  25          1HB       LYS  25   2.201  -1.439  -4.194
  166   1HG   LYS  25          2HG       LYS  25  -0.315  -0.840  -2.879
  167   2HG   LYS  25          1HG       LYS  25  -0.069   0.111  -4.343
  168   1HD   LYS  25          2HD       LYS  25   0.704  -2.636  -4.762
  169   2HD   LYS  25          1HD       LYS  25  -0.954  -2.534  -4.170
  170   1HE   LYS  25          2HE       LYS  25  -0.929  -2.467  -6.591
  171   2HE   LYS  25          1HE       LYS  25  -1.471  -0.917  -5.948
  172   1HZ   LYS  25          1HZ       LYS  25   0.940  -1.569  -7.432
  173   2HZ   LYS  25          2HZ       LYS  25   1.137  -0.469  -6.163
  174   3HZ   LYS  25          3HZ       LYS  25   0.037  -0.137  -7.404
  175    H    LYS  26           H        LYS  26   0.674  -2.734  -0.763
  176    HA   LYS  26           HA       LYS  26   2.332  -5.039  -1.539
  177   1HB   LYS  26          2HB       LYS  26   1.184  -5.832   0.807
  178   2HB   LYS  26          1HB       LYS  26   2.798  -5.166   0.652
  179   1HG   LYS  26          2HG       LYS  26   1.999  -2.965   1.231
  180   2HG   LYS  26          1HG       LYS  26   0.339  -3.558   1.284
  181   1HD   LYS  26          2HD       LYS  26   0.592  -4.393   3.348
  182   2HD   LYS  26          1HD       LYS  26   2.160  -5.101   2.960
  183   1HE   LYS  26          2HE       LYS  26   2.985  -2.631   3.062
  184   2HE   LYS  26          1HE       LYS  26   1.510  -2.372   3.992
  185   1HZ   LYS  26          1HZ       LYS  26   3.542  -4.427   4.664
  186   2HZ   LYS  26          2HZ       LYS  26   2.217  -3.954   5.603
  187   3HZ   LYS  26          3HZ       LYS  26   3.502  -2.882   5.353
  188    H    TRP  27           H        TRP  27   1.291  -7.042  -1.816
  189    HA   TRP  27           HA       TRP  27  -1.569  -7.221  -1.614
  190   1HB   TRP  27          2HB       TRP  27  -1.927  -7.788  -4.007
  191   2HB   TRP  27          1HB       TRP  27  -1.494  -6.119  -3.751
  192    HD1  TRP  27           HD       TRP  27  -0.462  -9.164  -5.518
  193    HE1  TRP  27           1HE      TRP  27   1.614  -8.698  -6.945
  194    HE3  TRP  27           3HE      TRP  27   0.746  -4.568  -3.690
  195    HZ2  TRP  27           2HZ      TRP  27   3.530  -6.647  -7.266
  196    HZ3  TRP  27           3HZ      TRP  27   2.712  -3.411  -4.612
  197    HH2  TRP  27           HH       TRP  27   4.075  -4.429  -6.361
  198    H    TRP  28           H        TRP  28  -2.382  -9.329  -2.369
  199    HA   TRP  28           HA       TRP  28  -0.488 -11.466  -2.746
  200   1HB   TRP  28          2HB       TRP  28  -1.220 -12.690  -0.676
  201   2HB   TRP  28          1HB       TRP  28  -0.251 -11.254  -0.359
  202    HD1  TRP  28           HD       TRP  28  -3.749 -12.627   0.046
  203    HE1  TRP  28           1HE      TRP  28  -5.041 -11.078   1.604
  204    HE3  TRP  28           3HE      TRP  28  -0.377  -8.798   0.431
  205    HZ2  TRP  28           2HZ      TRP  28  -4.724  -8.582   2.866
  206    HZ3  TRP  28           3HZ      TRP  28  -0.956  -6.865   1.840
  207    HH2  TRP  28           HH       TRP  28  -3.087  -6.763   3.031
  208    H    SER  29           H        SER  29  -1.791 -13.654  -2.418
  209    HA   SER  29           HA       SER  29  -4.504 -13.292  -3.500
  210   1HB   SER  29          2HB       SER  29  -2.800 -13.887  -5.279
  211   2HB   SER  29          1HB       SER  29  -2.593 -15.435  -4.449
  212    HG   SER  29           HG       SER  29  -4.307 -15.008  -6.269
  213    H    ASP  30           H        ASP  30  -5.939 -14.209  -2.198
  214    HA   ASP  30           HA       ASP  30  -5.209 -16.711  -0.833
  215   1HB   ASP  30          2HB       ASP  30  -5.457 -14.358   0.496
  216   2HB   ASP  30          1HB       ASP  30  -7.115 -14.954   0.583
  217    H    HIS  31           H        HIS  31  -7.682 -17.096   0.441
  218    HA   HIS  31           HA       HIS  31  -9.153 -18.357  -1.582
  219   1HB   HIS  31          2HB       HIS  31 -10.847 -18.769   0.127
  220   2HB   HIS  31          1HB       HIS  31  -9.236 -19.041   0.784
  221    HD1  HIS  31           1HD      HIS  31 -12.323 -17.492   1.627
  222    HD2  HIS  31           2HD      HIS  31  -8.323 -16.543   2.235
  223    HE1  HIS  31           1HE      HIS  31 -12.303 -15.849   3.531
  224    HE2  HIS  31           2HE      HIS  31  -9.881 -15.221   3.821
  225    H    ARG  32           H        ARG  32  -9.589 -15.232   0.010
  226    HA   ARG  32           HA       ARG  32 -12.077 -14.589  -1.124
  227   1HB   ARG  32          2HB       ARG  32  -9.876 -12.695  -0.286
  228   2HB   ARG  32          1HB       ARG  32 -11.587 -12.314  -0.454
  229   1HG   ARG  32          2HG       ARG  32 -12.168 -13.475   1.464
  230   2HG   ARG  32          1HG       ARG  32 -10.687 -14.434   1.448
  231   1HD   ARG  32          2HD       ARG  32 -10.437 -12.873   3.203
  232   2HD   ARG  32          1HD       ARG  32  -9.438 -12.281   1.875
  233    HE   ARG  32           HE       ARG  32 -11.786 -10.993   1.500
  234   1HH1  ARG  32          1HH1      ARG  32  -9.676 -11.347   4.258
  235   2HH1  ARG  32          2HH1      ARG  32 -10.097  -9.811   4.936
  236   1HH2  ARG  32          1HH2      ARG  32 -12.342  -8.972   2.391
  237   2HH2  ARG  32          2HH2      ARG  32 -11.611  -8.462   3.876
  238    H    GLY  33           H        GLY  33  -8.814 -14.408  -2.331
  239   1HA   GLY  33          2HA       GLY  33  -8.897 -14.520  -4.885
  240   2HA   GLY  33          1HA       GLY  33  -9.773 -12.997  -4.736
  241    H    THR  34           H        THR  34  -8.661 -11.124  -4.409
  242    HA   THR  34           HA       THR  34  -5.784 -11.281  -3.894
  243    HB   THR  34           HB       THR  34  -6.840  -9.519  -6.094
  244    HG1  THR  34           1HG      THR  34  -7.290 -11.687  -6.648
  245   1HG2  THR  34          1HG2      THR  34  -4.102 -10.604  -5.483
  246   2HG2  THR  34          2HG2      THR  34  -4.640  -8.931  -5.335
  247   3HG2  THR  34          3HG2      THR  34  -4.528  -9.684  -6.926
  248    H    ILE  35           H        ILE  35  -5.129  -9.795  -2.474
  249    HA   ILE  35           HA       ILE  35  -6.863  -7.450  -2.020
  250    HB   ILE  35           HB       ILE  35  -5.235  -8.817   0.118
  251   1HG1  ILE  35          2HG1      ILE  35  -8.194  -9.078  -0.469
  252   2HG1  ILE  35          1HG1      ILE  35  -6.987 -10.344  -0.678
  253   1HG2  ILE  35          1HG2      ILE  35  -5.759  -6.425   0.439
  254   2HG2  ILE  35          2HG2      ILE  35  -6.514  -7.461   1.650
  255   3HG2  ILE  35          3HG2      ILE  35  -7.475  -6.812   0.322
  256   1HD1  ILE  35          1HD1      ILE  35  -7.551 -11.002   1.364
  257   2HD1  ILE  35          2HD1      ILE  35  -8.412  -9.499   1.700
  258   3HD1  ILE  35          3HD1      ILE  35  -6.668  -9.592   1.949
  259    H    ILE  36           H        ILE  36  -5.844  -5.489  -1.504
  260    HA   ILE  36           HA       ILE  36  -2.922  -5.426  -1.623
  261    HB   ILE  36           HB       ILE  36  -2.830  -3.737  -3.310
  262   1HG1  ILE  36          2HG1      ILE  36  -5.858  -3.812  -3.289
  263   2HG1  ILE  36          1HG1      ILE  36  -4.840  -2.476  -2.762
  264   1HG2  ILE  36          1HG2      ILE  36  -3.479  -6.307  -3.823
  265   2HG2  ILE  36          2HG2      ILE  36  -3.086  -5.121  -5.066
  266   3HG2  ILE  36          3HG2      ILE  36  -4.771  -5.470  -4.682
  267   1HD1  ILE  36          1HD1      ILE  36  -5.039  -1.646  -4.801
  268   2HD1  ILE  36          2HD1      ILE  36  -5.808  -3.121  -5.390
  269   3HD1  ILE  36          3HD1      ILE  36  -4.049  -2.986  -5.377
  270    H    GLU  37           H        GLU  37  -2.063  -4.039  -0.174
  271    HA   GLU  37           HA       GLU  37  -3.804  -1.917   0.892
  272   1HB   GLU  37          2HB       GLU  37  -2.059  -2.380   2.942
  273   2HB   GLU  37          1HB       GLU  37  -3.693  -3.030   2.846
  274   1HG   GLU  37          2HG       GLU  37  -2.900  -5.110   2.029
  275   2HG   GLU  37          1HG       GLU  37  -1.274  -4.471   1.795
  276    H    ARG  38           H        ARG  38  -2.533  -0.123   1.938
  277    HA   ARG  38           HA       ARG  38   0.122   0.239   0.761
  278   1HB   ARG  38          2HB       ARG  38  -2.062   2.314   0.525
  279   2HB   ARG  38          1HB       ARG  38  -0.421   2.443  -0.092
  280   1HG   ARG  38          2HG       ARG  38  -1.552   1.881  -1.992
  281   2HG   ARG  38          1HG       ARG  38  -1.075   0.283  -1.416
  282   1HD   ARG  38          2HD       ARG  38  -3.194  -0.332  -0.993
  283   2HD   ARG  38          1HD       ARG  38  -3.624   1.249  -0.341
  284    HE   ARG  38           HE       ARG  38  -3.378   1.617  -3.052
  285   1HH1  ARG  38          1HH1      ARG  38  -5.314  -0.392  -0.956
  286   2HH1  ARG  38          2HH1      ARG  38  -6.658  -0.453  -2.047
  287   1HH2  ARG  38          1HH2      ARG  38  -5.145   1.539  -4.488
  288   2HH2  ARG  38          2HH2      ARG  38  -6.562   0.643  -4.053
  289    H    GLY  39           H        GLY  39   1.145   2.319   1.606
  290   1HA   GLY  39          2HA       GLY  39   0.229   3.524   3.986
  291   2HA   GLY  39          1HA       GLY  39   1.311   2.201   4.395
  292    H    CYS  40           H        CYS  40   2.291   4.359   5.309
  293    HA   CYS  40           HA       CYS  40   4.000   5.611   3.279
  294   1HB   CYS  40          2HB       CYS  40   2.886   6.475   5.881
  295   2HB   CYS  40          1HB       CYS  40   4.530   7.014   5.534
  296    H    GLY  41           H        GLY  41   6.101   5.154   3.151
  297   1HA   GLY  41          2HA       GLY  41   8.193   4.891   4.497
  298   2HA   GLY  41          1HA       GLY  41   7.317   3.648   5.386
  299    H    CYS  42           H        CYS  42   9.021   2.183   4.833
  300    HA   CYS  42           HA       CYS  42   8.465   0.747   2.411
  301   1HB   CYS  42          2HB       CYS  42  10.002   2.449   1.542
  302   2HB   CYS  42          1HB       CYS  42  11.197   2.007   2.765
  303    HA   PRO  43           HA       PRO  43  10.217  -1.665   6.024
  304   1HB   PRO  43          2HB       PRO  43   7.989  -2.874   6.894
  305   2HB   PRO  43          1HB       PRO  43   8.401  -1.223   7.392
  306   1HG   PRO  43          2HG       PRO  43   6.461  -2.148   5.306
  307   2HG   PRO  43          1HG       PRO  43   6.281  -0.857   6.513
  308   1HD   PRO  43          2HD       PRO  43   6.961  -0.430   3.882
  309   2HD   PRO  43          1HD       PRO  43   7.381   0.671   5.213
  310    H    LYS  44           H        LYS  44   9.429  -4.179   6.460
  311    HA   LYS  44           HA       LYS  44   9.655  -5.438   3.813
  312   1HB   LYS  44          2HB       LYS  44  10.609  -6.230   6.546
  313   2HB   LYS  44          1HB       LYS  44  10.401  -7.444   5.291
  314   1HG   LYS  44          2HG       LYS  44  12.550  -6.963   4.856
  315   2HG   LYS  44          1HG       LYS  44  11.846  -5.631   3.937
  316   1HD   LYS  44          2HD       LYS  44  11.987  -4.603   6.479
  317   2HD   LYS  44          1HD       LYS  44  13.447  -5.588   6.380
  318   1HE   LYS  44          2HE       LYS  44  13.799  -4.424   4.102
  319   2HE   LYS  44          1HE       LYS  44  12.628  -3.247   4.697
  320   1HZ   LYS  44          1HZ       LYS  44  14.912  -2.575   5.154
  321   2HZ   LYS  44          2HZ       LYS  44  15.163  -3.982   6.061
  322   3HZ   LYS  44          3HZ       LYS  44  14.051  -2.822   6.590
  323    H    VAL  45           H        VAL  45   8.802  -7.835   3.934
  324    HA   VAL  45           HA       VAL  45   6.238  -7.924   5.358
  325    HB   VAL  45           HB       VAL  45   5.243  -8.956   3.238
  326   1HG1  VAL  45          1HG1      VAL  45   4.158  -7.022   3.115
  327   2HG1  VAL  45          2HG1      VAL  45   5.567  -6.223   2.420
  328   3HG1  VAL  45          3HG1      VAL  45   5.381  -6.317   4.171
  329   1HG2  VAL  45          1HG2      VAL  45   7.071  -7.310   1.620
  330   2HG2  VAL  45          2HG2      VAL  45   6.312  -8.860   1.255
  331   3HG2  VAL  45          3HG2      VAL  45   7.757  -8.801   2.265
  332    H    LYS  46           H        LYS  46   5.332 -10.074   5.518
  333    HA   LYS  46           HA       LYS  46   7.352 -12.032   5.921
  334   1HB   LYS  46          2HB       LYS  46   5.157 -13.438   6.476
  335   2HB   LYS  46          1HB       LYS  46   5.870 -12.307   7.616
  336   1HG   LYS  46          2HG       LYS  46   4.281 -10.619   7.024
  337   2HG   LYS  46          1HG       LYS  46   3.627 -11.625   5.731
  338   1HD   LYS  46          2HD       LYS  46   3.065 -13.325   7.522
  339   2HD   LYS  46          1HD       LYS  46   3.448 -12.070   8.703
  340   1HE   LYS  46          2HE       LYS  46   1.781 -10.661   7.214
  341   2HE   LYS  46          1HE       LYS  46   1.175 -12.261   6.792
  342   1HZ   LYS  46          1HZ       LYS  46   1.589 -11.763   9.624
  343   2HZ   LYS  46          2HZ       LYS  46   0.333 -12.580   8.841
  344   3HZ   LYS  46          3HZ       LYS  46   0.333 -10.890   8.900
  345    HA   PRO  47           HA       PRO  47   7.540 -14.165   2.069
  346   1HB   PRO  47          2HB       PRO  47   6.978 -16.599   3.653
  347   2HB   PRO  47          1HB       PRO  47   8.321 -16.239   2.578
  348   1HG   PRO  47          2HG       PRO  47   8.356 -16.154   5.352
  349   2HG   PRO  47          1HG       PRO  47   9.592 -15.519   4.262
  350   1HD   PRO  47          2HD       PRO  47   7.885 -14.048   5.973
  351   2HD   PRO  47          1HD       PRO  47   9.010 -13.416   4.755
  352    H    GLY  48           H        GLY  48   6.018 -14.466   0.562
  353   1HA   GLY  48          2HA       GLY  48   4.080 -15.688  -0.226
  354   2HA   GLY  48          1HA       GLY  48   3.409 -15.564   1.400
  355    H    VAL  49           H        VAL  49   4.244 -12.726   1.610
  356    HA   VAL  49           HA       VAL  49   2.027 -11.599   0.049
  357    HB   VAL  49           HB       VAL  49   3.436 -10.377   2.425
  358   1HG1  VAL  49          1HG1      VAL  49   1.523  -9.372   0.535
  359   2HG1  VAL  49          2HG1      VAL  49   2.325  -8.537   1.864
  360   3HG1  VAL  49          3HG1      VAL  49   0.817  -9.406   2.151
  361   1HG2  VAL  49          1HG2      VAL  49   0.985 -11.015   3.347
  362   2HG2  VAL  49          2HG2      VAL  49   2.404 -12.044   3.542
  363   3HG2  VAL  49          3HG2      VAL  49   1.260 -12.356   2.237
  364    H    ASN  50           H        ASN  50   2.387 -10.178  -1.536
  365    HA   ASN  50           HA       ASN  50   5.120  -9.437  -2.157
  366   1HB   ASN  50          2HB       ASN  50   2.791  -8.452  -3.753
  367   2HB   ASN  50          1HB       ASN  50   4.392  -8.951  -4.299
  368   1HD2  ASN  50          1HD2      ASN  50   1.168  -9.864  -3.835
  369   2HD2  ASN  50          2HD2      ASN  50   1.327 -11.541  -4.258
  370    H    LEU  51           H        LEU  51   5.855  -7.306  -2.431
  371    HA   LEU  51           HA       LEU  51   4.214  -5.067  -1.717
  372   1HB   LEU  51          2HB       LEU  51   4.681  -5.851   0.501
  373   2HB   LEU  51          1HB       LEU  51   6.385  -6.037   0.132
  374    HG   LEU  51           HG       LEU  51   6.312  -3.461  -0.277
  375   1HD1  LEU  51          1HD1      LEU  51   3.756  -3.552  -0.013
  376   2HD1  LEU  51          2HD1      LEU  51   4.640  -2.244   0.774
  377   3HD1  LEU  51          3HD1      LEU  51   4.088  -3.629   1.717
  378   1HD2  LEU  51          1HD2      LEU  51   7.231  -5.000   1.701
  379   2HD2  LEU  51          2HD2      LEU  51   6.015  -4.087   2.597
  380   3HD2  LEU  51          3HD2      LEU  51   7.305  -3.238   1.745
  381    H    ASN  52           H        ASN  52   5.170  -3.079  -2.257
  382    HA   ASN  52           HA       ASN  52   7.929  -3.021  -3.127
  383   1HB   ASN  52          2HB       ASN  52   7.632  -2.715  -5.392
  384   2HB   ASN  52          1HB       ASN  52   6.348  -3.865  -5.048
  385   1HD2  ASN  52          1HD2      ASN  52   4.333  -2.439  -4.092
  386   2HD2  ASN  52          2HD2      ASN  52   3.820  -1.232  -5.216
  387    H    CYS  53           H        CYS  53   8.794  -1.132  -2.568
  388    HA   CYS  53           HA       CYS  53   7.097   1.014  -1.672
  389   1HB   CYS  53          2HB       CYS  53  10.096   1.127  -1.867
  390   2HB   CYS  53          1HB       CYS  53   9.030   1.961  -0.741
  391    H    CYS  54           H        CYS  54   7.343   3.220  -2.388
  392    HA   CYS  54           HA       CYS  54   8.692   3.813  -4.850
  393   1HB   CYS  54          2HB       CYS  54   6.440   4.589  -5.906
  394   2HB   CYS  54          1HB       CYS  54   6.920   2.898  -6.038
  395    H    ARG  55           H        ARG  55   8.616   5.947  -5.447
  396    HA   ARG  55           HA       ARG  55   7.825   7.745  -3.275
  397   1HB   ARG  55          2HB       ARG  55   9.907   8.806  -4.926
  398   2HB   ARG  55          1HB       ARG  55   9.923   8.454  -3.207
  399   1HG   ARG  55          2HG       ARG  55  10.577   6.158  -3.678
  400   2HG   ARG  55          1HG       ARG  55  10.550   6.507  -5.409
  401   1HD   ARG  55          2HD       ARG  55  12.263   8.039  -3.470
  402   2HD   ARG  55          1HD       ARG  55  12.816   6.562  -4.262
  403    HE   ARG  55           HE       ARG  55  11.843   8.288  -6.221
  404   1HH1  ARG  55          1HH1      ARG  55  14.479   8.114  -3.943
  405   2HH1  ARG  55          2HH1      ARG  55  15.556   9.053  -4.923
  406   1HH2  ARG  55          1HH2      ARG  55  13.258   9.524  -7.514
  407   2HH2  ARG  55          2HH2      ARG  55  14.862   9.853  -6.950
  408    H    THR  56           H        THR  56   6.133   7.051  -5.486
  409    HA   THR  56           HA       THR  56   6.039   9.633  -6.904
  410    HB   THR  56           HB       THR  56   4.608   7.366  -8.130
  411    HG1  THR  56           1HG      THR  56   7.418   7.382  -7.855
  412   1HG2  THR  56          1HG2      THR  56   5.041   9.691  -9.117
  413   2HG2  THR  56          2HG2      THR  56   5.277   8.279 -10.148
  414   3HG2  THR  56          3HG2      THR  56   6.670   9.092  -9.432
  415    H    ASP  57           H        ASP  57   4.000  10.579  -7.237
  416    HA   ASP  57           HA       ASP  57   2.185  10.329  -5.113
  417   1HB   ASP  57          2HB       ASP  57   2.444  12.391  -6.432
  418   2HB   ASP  57          1HB       ASP  57   1.742  11.581  -7.834
  419    H    ARG  58           H        ARG  58   0.582   8.948  -4.750
  420    HA   ARG  58           HA       ARG  58  -0.927   7.269  -5.023
  421   1HB   ARG  58          2HB       ARG  58  -1.159   8.548  -7.751
  422   2HB   ARG  58          1HB       ARG  58  -2.245   7.292  -7.156
  423   1HG   ARG  58          2HG       ARG  58  -2.792   8.815  -5.239
  424   2HG   ARG  58          1HG       ARG  58  -1.884  10.074  -6.077
  425   1HD   ARG  58          2HD       ARG  58  -3.393  10.098  -7.887
  426   2HD   ARG  58          1HD       ARG  58  -4.132   8.576  -7.393
  427    HE   ARG  58           HE       ARG  58  -4.407  10.690  -5.460
  428   1HH1  ARG  58          1HH1      ARG  58  -5.788   9.204  -8.299
  429   2HH1  ARG  58          2HH1      ARG  58  -7.386   9.792  -7.983
  430   1HH2  ARG  58          1HH2      ARG  58  -6.506  11.465  -5.043
  431   2HH2  ARG  58          2HH2      ARG  58  -7.794  11.078  -6.135
  432    H    CYS  59           H        CYS  59   1.906   6.823  -5.700
  433    HA   CYS  59           HA       CYS  59   2.197   5.177  -7.944
  434   1HB   CYS  59          2HB       CYS  59   4.277   4.485  -6.957
  435   2HB   CYS  59          1HB       CYS  59   4.051   6.199  -6.616
  436    H    ASN  60           H        ASN  60   1.079   4.520  -4.690
  437    HA   ASN  60           HA       ASN  60   0.926   1.652  -5.248
  438   1HB   ASN  60          2HB       ASN  60   0.227   1.521  -2.825
  439   2HB   ASN  60          1HB       ASN  60   1.856   2.145  -3.105
  440   1HD2  ASN  60          1HD2      ASN  60   1.924   3.224  -1.157
  441   2HD2  ASN  60          2HD2      ASN  60   0.996   4.659  -0.852
  442    H    ASN  61           H        ASN  61  -0.848   3.741  -6.479
  443    HA   ASN  61           HA       ASN  61  -3.415   3.620  -5.361
  444   1HB   ASN  61          2HB       ASN  61  -4.184   4.432  -7.522
  445   2HB   ASN  61          1HB       ASN  61  -2.715   5.275  -7.053
  446   1HD2  ASN  61          1HD2      ASN  61  -4.248   3.956  -9.581
  447   2HD2  ASN  61          2HD2      ASN  61  -2.892   3.527 -10.576
  Start of MODEL    3
    1   1H    LEU   1          1HT       LEU   1   4.200  14.371   1.125
    2   2H    LEU   1          2HT       LEU   1   3.767  15.549  -0.047
    3   3H    LEU   1          3HT       LEU   1   5.304  14.789  -0.119
    4    HA   LEU   1           HA       LEU   1   3.605  14.002  -1.724
    5   1HB   LEU   1          2HB       LEU   1   5.716  12.831  -0.621
    6   2HB   LEU   1          1HB       LEU   1   4.489  11.768   0.041
    7    HG   LEU   1           HG       LEU   1   4.427  12.283  -2.888
    8   1HD1  LEU   1          1HD1      LEU   1   6.038  10.349  -3.154
    9   2HD1  LEU   1          2HD1      LEU   1   6.512  10.638  -1.480
   10   3HD1  LEU   1          3HD1      LEU   1   6.744  11.898  -2.693
   11   1HD2  LEU   1          1HD2      LEU   1   2.948  10.743  -1.256
   12   2HD2  LEU   1          2HD2      LEU   1   4.204   9.589  -1.705
   13   3HD2  LEU   1          3HD2      LEU   1   3.234  10.366  -2.955
   14    H    GLU   2           H        GLU   2   1.640  13.091  -2.057
   15    HA   GLU   2           HA       GLU   2   0.085  12.339   0.332
   16   1HB   GLU   2          2HB       GLU   2  -0.690  13.935  -2.088
   17   2HB   GLU   2          1HB       GLU   2  -1.910  13.052  -1.181
   18   1HG   GLU   2          2HG       GLU   2  -1.841  14.474   0.562
   19   2HG   GLU   2          1HG       GLU   2  -0.106  14.749   0.409
   20    H    CYS   3           H        CYS   3   0.304  10.146   0.236
   21    HA   CYS   3           HA       CYS   3   0.026   8.698  -2.225
   22   1HB   CYS   3          2HB       CYS   3   0.017   7.573   0.576
   23   2HB   CYS   3          1HB       CYS   3   0.460   6.755  -0.919
   24    H    HIS   4           H        HIS   4  -1.428   6.483  -1.528
   25    HA   HIS   4           HA       HIS   4  -4.143   7.583  -1.455
   26   1HB   HIS   4          2HB       HIS   4  -2.931   5.096  -2.604
   27   2HB   HIS   4          1HB       HIS   4  -4.653   5.124  -2.220
   28    HD1  HIS   4           1HD      HIS   4  -5.522   7.822  -3.188
   29    HD2  HIS   4           2HD      HIS   4  -2.809   5.470  -5.281
   30    HE1  HIS   4           1HE      HIS   4  -5.631   8.626  -5.566
   31    HE2  HIS   4           2HE      HIS   4  -4.084   7.097  -6.836
   32    H    ASN   5           H        ASN   5  -2.028   5.280   0.130
   33    HA   ASN   5           HA       ASN   5  -2.291   3.936   1.962
   34   1HB   ASN   5          2HB       ASN   5  -3.006   5.127   3.956
   35   2HB   ASN   5          1HB       ASN   5  -2.029   6.193   2.943
   36   1HD2  ASN   5          1HD2      ASN   5  -5.200   5.505   4.174
   37   2HD2  ASN   5          2HD2      ASN   5  -5.926   7.015   3.719
   38    H    GLN   6           H        GLN   6  -4.380   3.632  -0.052
   39    HA   GLN   6           HA       GLN   6  -6.787   3.114   1.508
   40   1HB   GLN   6          2HB       GLN   6  -7.848   2.626  -0.624
   41   2HB   GLN   6          1HB       GLN   6  -6.995   4.162  -0.714
   42   1HG   GLN   6          2HG       GLN   6  -5.060   2.657  -1.657
   43   2HG   GLN   6          1HG       GLN   6  -6.396   1.574  -2.045
   44   1HE2  GLN   6          1HE2      GLN   6  -6.071   1.842  -4.254
   45   2HE2  GLN   6          2HE2      GLN   6  -6.519   3.303  -5.079
   46    H    GLN   7           H        GLN   7  -7.303   1.179   2.297
   47    HA   GLN   7           HA       GLN   7  -5.704  -1.134   1.449
   48   1HB   GLN   7          2HB       GLN   7  -6.838  -2.044   3.678
   49   2HB   GLN   7          1HB       GLN   7  -5.355  -1.105   3.704
   50   1HG   GLN   7          2HG       GLN   7  -7.999   0.263   3.932
   51   2HG   GLN   7          1HG       GLN   7  -7.286  -0.534   5.334
   52   1HE2  GLN   7          1HE2      GLN   7  -4.870   0.034   5.594
   53   2HE2  GLN   7          2HE2      GLN   7  -4.493   1.725   5.477
   54    H    SER   8           H        SER   8  -6.728  -3.162   1.129
   55    HA   SER   8           HA       SER   8  -8.317  -4.537   0.260
   56   1HB   SER   8          2HB       SER   8 -10.365  -2.821   1.670
   57   2HB   SER   8          1HB       SER   8 -10.472  -4.541   1.276
   58    HG   SER   8           HG       SER   8  -8.614  -3.389   3.090
   59    H    SER   9           H        SER   9 -10.925  -4.083  -0.618
   60    HA   SER   9           HA       SER   9 -10.392  -2.409  -2.954
   61   1HB   SER   9          2HB       SER   9 -12.625  -4.390  -2.450
   62   2HB   SER   9          1HB       SER   9 -12.311  -3.557  -3.972
   63    HG   SER   9           HG       SER   9 -10.605  -5.407  -2.659
   64    H    GLN  10           H        GLN  10 -11.106  -1.309  -0.290
   65    HA   GLN  10           HA       GLN  10 -13.796  -0.390  -0.387
   66   1HB   GLN  10          2HB       GLN  10 -11.391   0.170   1.262
   67   2HB   GLN  10          1HB       GLN  10 -12.662   1.393   1.254
   68   1HG   GLN  10          2HG       GLN  10 -13.673  -1.305   1.619
   69   2HG   GLN  10          1HG       GLN  10 -12.533  -0.817   2.874
   70   1HE2  GLN  10          1HE2      GLN  10 -14.139  -0.764   4.441
   71   2HE2  GLN  10          2HE2      GLN  10 -15.332   0.497   4.499
   72    H    ALA  11           H        ALA  11 -13.906   2.229  -0.046
   73    HA   ALA  11           HA       ALA  11 -13.475   3.270  -2.665
   74   1HB   ALA  11          1HB       ALA  11 -14.892   4.924  -2.067
   75   2HB   ALA  11          2HB       ALA  11 -14.137   5.148  -0.489
   76   3HB   ALA  11          3HB       ALA  11 -15.269   3.820  -0.745
   77    HA   PRO  12           HA       PRO  12  -9.138   4.376  -2.074
   78   1HB   PRO  12          2HB       PRO  12 -10.075   6.202  -4.264
   79   2HB   PRO  12          1HB       PRO  12  -8.549   5.315  -4.120
   80   1HG   PRO  12          2HG       PRO  12 -10.449   4.342  -5.662
   81   2HG   PRO  12          1HG       PRO  12  -9.554   3.259  -4.569
   82   1HD   PRO  12          2HD       PRO  12 -12.332   4.327  -4.317
   83   2HD   PRO  12          1HD       PRO  12 -11.676   2.748  -3.829
   84    H    THR  13           H        THR  13  -7.950   6.291  -1.490
   85    HA   THR  13           HA       THR  13  -9.329   8.759  -0.984
   86    HB   THR  13           HB       THR  13  -8.172   7.654   1.510
   87    HG1  THR  13           1HG      THR  13  -9.380   5.939   1.359
   88   1HG2  THR  13          1HG2      THR  13  -9.852   8.881   2.596
   89   2HG2  THR  13          2HG2      THR  13 -10.800   9.043   1.117
   90   3HG2  THR  13          3HG2      THR  13  -9.274   9.912   1.285
   91    H    THR  14           H        THR  14  -7.889  10.423  -0.117
   92    HA   THR  14           HA       THR  14  -5.038   9.771  -0.463
   93    HB   THR  14           HB       THR  14  -4.649  11.711  -1.748
   94    HG1  THR  14           1HG      THR  14  -5.923  13.420  -1.757
   95   1HG2  THR  14          1HG2      THR  14  -5.786   9.953  -3.048
   96   2HG2  THR  14          2HG2      THR  14  -6.086  11.580  -3.661
   97   3HG2  THR  14          3HG2      THR  14  -7.325  10.750  -2.720
   98    H    LYS  15           H        LYS  15  -3.923  10.199   1.314
   99    HA   LYS  15           HA       LYS  15  -4.679  12.525   2.941
  100   1HB   LYS  15          2HB       LYS  15  -5.190   9.934   3.729
  101   2HB   LYS  15          1HB       LYS  15  -3.650  10.274   4.506
  102   1HG   LYS  15          2HG       LYS  15  -5.283  10.874   6.072
  103   2HG   LYS  15          1HG       LYS  15  -4.725  12.399   5.380
  104   1HD   LYS  15          2HD       LYS  15  -6.673  12.682   4.130
  105   2HD   LYS  15          1HD       LYS  15  -7.111  10.977   4.252
  106   1HE   LYS  15          2HE       LYS  15  -8.555  11.790   5.798
  107   2HE   LYS  15          1HE       LYS  15  -7.149  11.601   6.845
  108   1HZ   LYS  15          1HZ       LYS  15  -8.208  13.772   7.099
  109   2HZ   LYS  15          2HZ       LYS  15  -7.925  14.116   5.468
  110   3HZ   LYS  15          3HZ       LYS  15  -6.622  13.923   6.528
  111    H    THR  16           H        THR  16  -2.793  12.426   4.875
  112    HA   THR  16           HA       THR  16  -0.211  12.226   3.491
  113    HB   THR  16           HB       THR  16  -1.019  14.584   5.199
  114    HG1  THR  16           1HG      THR  16  -1.532  15.621   3.415
  115   1HG2  THR  16          1HG2      THR  16   1.007  15.465   3.681
  116   2HG2  THR  16          2HG2      THR  16   1.488  13.782   3.889
  117   3HG2  THR  16          3HG2      THR  16   1.212  14.801   5.302
  118    H    CYS  17           H        CYS  17   1.619  12.015   4.886
  119    HA   CYS  17           HA       CYS  17   0.907  10.981   7.551
  120   1HB   CYS  17          2HB       CYS  17   3.390  10.302   5.969
  121   2HB   CYS  17          1HB       CYS  17   2.776   9.491   7.412
  122    H    SER  18           H        SER  18   2.708  11.157   9.180
  123    HA   SER  18           HA       SER  18   3.418  13.868   9.520
  124   1HB   SER  18          2HB       SER  18   5.037  12.617  11.293
  125   2HB   SER  18          1HB       SER  18   3.321  12.905  11.581
  126    HG   SER  18           HG       SER  18   4.653  10.540  10.942
  127    H    GLY  19           H        GLY  19   5.649  11.090   9.297
  128   1HA   GLY  19          2HA       GLY  19   7.719  12.889   8.285
  129   2HA   GLY  19          1HA       GLY  19   7.952  11.224   8.818
  130    H    GLU  20           H        GLU  20   6.230  13.040   6.279
  131    HA   GLU  20           HA       GLU  20   5.988  10.938   4.463
  132   1HB   GLU  20          2HB       GLU  20   5.892  13.902   4.296
  133   2HB   GLU  20          1HB       GLU  20   6.113  13.026   2.783
  134   1HG   GLU  20          2HG       GLU  20   3.883  12.494   4.733
  135   2HG   GLU  20          1HG       GLU  20   3.750  13.563   3.337
  136    H    THR  21           H        THR  21   7.331   9.975   3.074
  137    HA   THR  21           HA       THR  21   9.713  11.240   2.095
  138    HB   THR  21           HB       THR  21  10.928   8.988   3.048
  139    HG1  THR  21           1HG      THR  21  10.358   8.900   5.267
  140   1HG2  THR  21          1HG2      THR  21  11.035  11.796   3.633
  141   2HG2  THR  21          2HG2      THR  21  12.325  10.593   3.641
  142   3HG2  THR  21          3HG2      THR  21  11.341  10.840   5.083
  143    H    ASN  22           H        ASN  22   8.238   8.060   2.631
  144    HA   ASN  22           HA       ASN  22   8.071   7.623  -0.227
  145   1HB   ASN  22          2HB       ASN  22   9.292   5.300   1.116
  146   2HB   ASN  22          1HB       ASN  22   9.612   5.982  -0.480
  147   1HD2  ASN  22          1HD2      ASN  22  10.844   5.460   2.538
  148   2HD2  ASN  22          2HD2      ASN  22  12.139   6.615   2.515
  149    H    CYS  23           H        CYS  23   6.652   5.918  -0.798
  150    HA   CYS  23           HA       CYS  23   5.047   4.867   1.434
  151   1HB   CYS  23          2HB       CYS  23   4.241   6.304  -1.014
  152   2HB   CYS  23          1HB       CYS  23   3.293   4.863  -0.651
  153    H    TYR  24           H        TYR  24   3.479   3.078   0.188
  154    HA   TYR  24           HA       TYR  24   4.949   1.482  -1.687
  155   1HB   TYR  24          2HB       TYR  24   5.206  -0.493  -0.246
  156   2HB   TYR  24          1HB       TYR  24   6.150   0.875   0.344
  157    HD1  TYR  24           1HD      TYR  24   5.999   1.466   2.578
  158    HD2  TYR  24           2HD      TYR  24   2.839  -0.786   0.836
  159    HE1  TYR  24           1HE      TYR  24   4.945   1.250   4.788
  160    HE2  TYR  24           2HE      TYR  24   1.774  -1.006   3.041
  161    HH   TYR  24           HH       TYR  24   1.748   0.044   5.189
  162    H    LYS  25           H        LYS  25   3.856  -0.836  -1.697
  163    HA   LYS  25           HA       LYS  25   1.030  -0.806  -1.124
  164   1HB   LYS  25          2HB       LYS  25   1.414   0.407  -3.382
  165   2HB   LYS  25          1HB       LYS  25   1.805  -1.195  -4.007
  166   1HG   LYS  25          2HG       LYS  25  -0.468  -1.890  -3.010
  167   2HG   LYS  25          1HG       LYS  25  -0.806  -0.158  -2.990
  168   1HD   LYS  25          2HD       LYS  25  -0.714   0.014  -5.304
  169   2HD   LYS  25          1HD       LYS  25   0.235  -1.463  -5.475
  170   1HE   LYS  25          2HE       LYS  25  -2.251  -2.112  -4.240
  171   2HE   LYS  25          1HE       LYS  25  -2.572  -1.137  -5.672
  172   1HZ   LYS  25          1HZ       LYS  25  -0.840  -3.545  -5.660
  173   2HZ   LYS  25          2HZ       LYS  25  -1.352  -2.668  -7.011
  174   3HZ   LYS  25          3HZ       LYS  25  -2.472  -3.554  -6.106
  175    H    LYS  26           H        LYS  26   0.535  -2.798  -0.486
  176    HA   LYS  26           HA       LYS  26   2.146  -5.022  -1.551
  177   1HB   LYS  26          2HB       LYS  26   1.458  -6.170   0.650
  178   2HB   LYS  26          1HB       LYS  26   2.730  -4.971   0.685
  179   1HG   LYS  26          2HG       LYS  26   0.269  -3.637   1.125
  180   2HG   LYS  26          1HG       LYS  26   0.331  -5.051   2.177
  181   1HD   LYS  26          2HD       LYS  26   2.725  -4.241   2.728
  182   2HD   LYS  26          1HD       LYS  26   2.181  -2.700   2.061
  183   1HE   LYS  26          2HE       LYS  26   0.535  -2.441   3.712
  184   2HE   LYS  26          1HE       LYS  26   0.616  -4.139   4.179
  185   1HZ   LYS  26          1HZ       LYS  26   3.128  -3.296   4.650
  186   2HZ   LYS  26          2HZ       LYS  26   1.908  -3.383   5.819
  187   3HZ   LYS  26          3HZ       LYS  26   2.233  -1.915   5.046
  188    H    TRP  27           H        TRP  27   1.120  -7.062  -1.722
  189    HA   TRP  27           HA       TRP  27  -1.724  -7.263  -1.464
  190   1HB   TRP  27          2HB       TRP  27  -2.138  -7.783  -3.875
  191   2HB   TRP  27          1HB       TRP  27  -1.774  -6.110  -3.552
  192    HD1  TRP  27           HD       TRP  27  -0.593  -9.058  -5.412
  193    HE1  TRP  27           1HE      TRP  27   1.390  -8.417  -6.903
  194    HE3  TRP  27           3HE      TRP  27   0.303  -4.380  -3.590
  195    HZ2  TRP  27           2HZ      TRP  27   3.120  -6.215  -7.271
  196    HZ3  TRP  27           3HZ      TRP  27   2.132  -3.069  -4.569
  197    HH2  TRP  27           HH       TRP  27   3.514  -3.964  -6.370
  198    H    TRP  28           H        TRP  28  -2.554  -9.355  -2.199
  199    HA   TRP  28           HA       TRP  28  -0.669 -11.476  -2.705
  200   1HB   TRP  28          2HB       TRP  28  -1.282 -12.725  -0.609
  201   2HB   TRP  28          1HB       TRP  28  -0.317 -11.279  -0.326
  202    HD1  TRP  28           HD       TRP  28  -3.777 -12.696   0.233
  203    HE1  TRP  28           1HE      TRP  28  -5.011 -11.171   1.862
  204    HE3  TRP  28           3HE      TRP  28  -0.430  -8.835   0.484
  205    HZ2  TRP  28           2HZ      TRP  28  -4.659  -8.676   3.120
  206    HZ3  TRP  28           3HZ      TRP  28  -0.961  -6.915   1.930
  207    HH2  TRP  28           HH       TRP  28  -3.035  -6.841   3.219
  208    H    SER  29           H        SER  29  -2.014 -13.678  -2.196
  209    HA   SER  29           HA       SER  29  -4.808 -13.370  -2.960
  210   1HB   SER  29          2HB       SER  29  -2.708 -14.678  -4.676
  211   2HB   SER  29          1HB       SER  29  -4.399 -15.190  -4.762
  212    HG   SER  29           HG       SER  29  -3.614 -12.483  -5.023
  213    H    ASP  30           H        ASP  30  -5.756 -14.469  -1.360
  214    HA   ASP  30           HA       ASP  30  -4.859 -17.221  -0.869
  215   1HB   ASP  30          2HB       ASP  30  -4.338 -15.241   0.915
  216   2HB   ASP  30          1HB       ASP  30  -5.914 -15.790   1.489
  217    H    HIS  31           H        HIS  31  -6.750 -17.798   1.133
  218    HA   HIS  31           HA       HIS  31  -8.959 -18.575  -0.365
  219   1HB   HIS  31          2HB       HIS  31 -10.060 -18.906   1.910
  220   2HB   HIS  31          1HB       HIS  31  -8.536 -19.746   1.647
  221    HD1  HIS  31           1HD      HIS  31  -7.194 -19.691   3.711
  222    HD2  HIS  31           2HD      HIS  31  -9.294 -16.149   3.151
  223    HE1  HIS  31           1HE      HIS  31  -6.552 -18.216   5.644
  224    HE2  HIS  31           2HE      HIS  31  -7.760 -16.043   5.231
  225    H    ARG  32           H        ARG  32  -8.282 -15.550   1.162
  226    HA   ARG  32           HA       ARG  32 -11.062 -14.682   0.978
  227   1HB   ARG  32          2HB       ARG  32  -8.637 -13.735   2.382
  228   2HB   ARG  32          1HB       ARG  32  -9.732 -12.476   1.814
  229   1HG   ARG  32          2HG       ARG  32 -11.513 -14.098   2.969
  230   2HG   ARG  32          1HG       ARG  32 -10.093 -14.496   3.939
  231   1HD   ARG  32          2HD       ARG  32 -11.042 -11.681   3.437
  232   2HD   ARG  32          1HD       ARG  32 -11.517 -12.635   4.841
  233    HE   ARG  32           HE       ARG  32  -8.815 -12.742   4.904
  234   1HH1  ARG  32          1HH1      ARG  32 -11.096 -10.111   4.689
  235   2HH1  ARG  32          2HH1      ARG  32 -10.068  -8.987   5.513
  236   1HH2  ARG  32          1HH2      ARG  32  -7.462 -11.265   5.989
  237   2HH2  ARG  32          2HH2      ARG  32  -8.004  -9.642   6.250
  238    H    GLY  33           H        GLY  33  -9.185 -15.201  -1.372
  239   1HA   GLY  33          2HA       GLY  33  -9.091 -14.320  -3.502
  240   2HA   GLY  33          1HA       GLY  33 -10.069 -12.968  -2.936
  241    H    THR  34           H        THR  34  -8.596 -11.767  -4.388
  242    HA   THR  34           HA       THR  34  -5.881 -11.396  -3.431
  243    HB   THR  34           HB       THR  34  -7.269  -9.873  -5.636
  244    HG1  THR  34           1HG      THR  34  -5.875 -12.338  -5.781
  245   1HG2  THR  34          1HG2      THR  34  -5.299  -9.004  -6.162
  246   2HG2  THR  34          2HG2      THR  34  -4.480 -10.557  -5.997
  247   3HG2  THR  34          3HG2      THR  34  -4.751  -9.547  -4.577
  248    H    ILE  35           H        ILE  35  -5.150  -9.718  -2.254
  249    HA   ILE  35           HA       ILE  35  -6.996  -7.480  -1.739
  250    HB   ILE  35           HB       ILE  35  -5.240  -8.721   0.378
  251   1HG1  ILE  35          2HG1      ILE  35  -8.223  -9.037  -0.038
  252   2HG1  ILE  35          1HG1      ILE  35  -7.015 -10.290  -0.309
  253   1HG2  ILE  35          1HG2      ILE  35  -7.060  -7.371   1.750
  254   2HG2  ILE  35          2HG2      ILE  35  -7.115  -6.423   0.265
  255   3HG2  ILE  35          3HG2      ILE  35  -5.595  -6.604   1.140
  256   1HD1  ILE  35          1HD1      ILE  35  -7.234 -10.914   1.796
  257   2HD1  ILE  35          2HD1      ILE  35  -8.375  -9.601   2.087
  258   3HD1  ILE  35          3HD1      ILE  35  -6.647  -9.336   2.317
  259    H    ILE  36           H        ILE  36  -5.999  -5.480  -1.180
  260    HA   ILE  36           HA       ILE  36  -3.101  -5.309  -1.565
  261    HB   ILE  36           HB       ILE  36  -3.337  -3.414  -3.113
  262   1HG1  ILE  36          2HG1      ILE  36  -6.282  -4.108  -3.006
  263   2HG1  ILE  36          1HG1      ILE  36  -5.534  -2.605  -2.476
  264   1HG2  ILE  36          1HG2      ILE  36  -3.128  -4.881  -4.764
  265   2HG2  ILE  36          2HG2      ILE  36  -4.855  -5.235  -4.722
  266   3HG2  ILE  36          3HG2      ILE  36  -3.745  -6.134  -3.689
  267   1HD1  ILE  36          1HD1      ILE  36  -4.730  -2.612  -5.024
  268   2HD1  ILE  36          2HD1      ILE  36  -6.254  -1.904  -4.488
  269   3HD1  ILE  36          3HD1      ILE  36  -6.231  -3.524  -5.185
  270    H    GLU  37           H        GLU  37  -2.178  -3.954  -0.096
  271    HA   GLU  37           HA       GLU  37  -3.879  -1.875   1.099
  272   1HB   GLU  37          2HB       GLU  37  -2.132  -2.451   3.115
  273   2HB   GLU  37          1HB       GLU  37  -3.788  -3.046   3.010
  274   1HG   GLU  37          2HG       GLU  37  -3.115  -5.132   2.265
  275   2HG   GLU  37          1HG       GLU  37  -1.526  -4.556   1.768
  276    H    ARG  38           H        ARG  38  -2.426  -0.284   2.402
  277    HA   ARG  38           HA       ARG  38   0.150   0.155   1.092
  278   1HB   ARG  38          2HB       ARG  38  -2.122   2.144   1.108
  279   2HB   ARG  38          1HB       ARG  38  -0.457   2.575   0.746
  280   1HG   ARG  38          2HG       ARG  38  -0.521   1.661  -1.310
  281   2HG   ARG  38          1HG       ARG  38  -1.585   0.344  -0.814
  282   1HD   ARG  38          2HD       ARG  38  -3.440   2.029  -0.675
  283   2HD   ARG  38          1HD       ARG  38  -2.347   3.194  -1.421
  284    HE   ARG  38           HE       ARG  38  -2.787   2.218  -3.430
  285   1HH1  ARG  38          1HH1      ARG  38  -3.526  -0.087  -0.916
  286   2HH1  ARG  38          2HH1      ARG  38  -4.164  -1.264  -2.011
  287   1HH2  ARG  38          1HH2      ARG  38  -3.630   0.671  -4.871
  288   2HH2  ARG  38          2HH2      ARG  38  -4.224  -0.836  -4.257
  289    H    GLY  39           H        GLY  39   0.995   2.434   2.074
  290   1HA   GLY  39          2HA       GLY  39   0.294   2.899   4.812
  291   2HA   GLY  39          1HA       GLY  39   1.777   1.969   4.663
  292    H    CYS  40           H        CYS  40   3.402   3.317   5.118
  293    HA   CYS  40           HA       CYS  40   3.904   5.547   3.379
  294   1HB   CYS  40          2HB       CYS  40   2.480   6.069   5.752
  295   2HB   CYS  40          1HB       CYS  40   4.132   6.612   6.056
  296    H    GLY  41           H        GLY  41   5.640   3.962   3.049
  297   1HA   GLY  41          2HA       GLY  41   8.074   4.758   4.043
  298   2HA   GLY  41          1HA       GLY  41   7.551   3.463   5.120
  299    H    CYS  42           H        CYS  42   8.983   1.889   4.558
  300    HA   CYS  42           HA       CYS  42   8.495   0.527   2.079
  301   1HB   CYS  42          2HB       CYS  42  10.110   2.228   1.333
  302   2HB   CYS  42          1HB       CYS  42  11.251   1.682   2.565
  303    HA   PRO  43           HA       PRO  43   9.914  -2.114   5.625
  304   1HB   PRO  43          2HB       PRO  43   7.679  -3.553   5.964
  305   2HB   PRO  43          1HB       PRO  43   7.850  -1.934   6.662
  306   1HG   PRO  43          2HG       PRO  43   6.401  -2.789   4.184
  307   2HG   PRO  43          1HG       PRO  43   5.899  -1.633   5.436
  308   1HD   PRO  43          2HD       PRO  43   7.002  -0.915   3.018
  309   2HD   PRO  43          1HD       PRO  43   7.076   0.084   4.488
  310    H    LYS  44           H        LYS  44   9.727  -4.622   5.727
  311    HA   LYS  44           HA       LYS  44  10.534  -5.616   3.134
  312   1HB   LYS  44          2HB       LYS  44  11.366  -6.154   5.677
  313   2HB   LYS  44          1HB       LYS  44  10.321  -7.533   5.360
  314   1HG   LYS  44          2HG       LYS  44  11.703  -7.596   3.104
  315   2HG   LYS  44          1HG       LYS  44  12.897  -6.772   4.108
  316   1HD   LYS  44          2HD       LYS  44  12.985  -8.571   5.644
  317   2HD   LYS  44          1HD       LYS  44  11.539  -9.319   4.960
  318   1HE   LYS  44          2HE       LYS  44  13.130  -9.235   2.780
  319   2HE   LYS  44          1HE       LYS  44  14.341  -9.412   4.048
  320   1HZ   LYS  44          1HZ       LYS  44  12.259 -11.278   3.190
  321   2HZ   LYS  44          2HZ       LYS  44  12.674 -11.271   4.830
  322   3HZ   LYS  44          3HZ       LYS  44  13.857 -11.582   3.660
  323    H    VAL  45           H        VAL  45   9.754  -7.830   2.453
  324    HA   VAL  45           HA       VAL  45   6.860  -7.769   2.355
  325    HB   VAL  45           HB       VAL  45   7.091  -9.646   0.755
  326   1HG1  VAL  45          1HG1      VAL  45   8.191  -6.965   0.428
  327   2HG1  VAL  45          2HG1      VAL  45   7.073  -7.864  -0.595
  328   3HG1  VAL  45          3HG1      VAL  45   8.810  -8.121  -0.750
  329   1HG2  VAL  45          1HG2      VAL  45   9.441 -10.181   1.964
  330   2HG2  VAL  45          2HG2      VAL  45  10.010  -9.299   0.547
  331   3HG2  VAL  45          3HG2      VAL  45   9.020 -10.744   0.346
  332    H    LYS  46           H        LYS  46   5.500  -9.489   2.947
  333    HA   LYS  46           HA       LYS  46   6.564 -11.150   5.061
  334   1HB   LYS  46          2HB       LYS  46   3.892  -9.981   4.491
  335   2HB   LYS  46          1HB       LYS  46   3.958 -11.487   5.394
  336   1HG   LYS  46          2HG       LYS  46   5.746  -9.327   6.314
  337   2HG   LYS  46          1HG       LYS  46   4.015  -9.077   6.545
  338   1HD   LYS  46          2HD       LYS  46   5.431 -11.592   7.398
  339   2HD   LYS  46          1HD       LYS  46   5.248 -10.191   8.455
  340   1HE   LYS  46          2HE       LYS  46   2.932 -11.573   7.116
  341   2HE   LYS  46          1HE       LYS  46   3.513 -11.999   8.725
  342   1HZ   LYS  46          1HZ       LYS  46   2.962  -9.181   8.258
  343   2HZ   LYS  46          2HZ       LYS  46   2.662 -10.132   9.625
  344   3HZ   LYS  46          3HZ       LYS  46   1.614 -10.205   8.298
  345    HA   PRO  47           HA       PRO  47   6.616 -14.957   2.830
  346   1HB   PRO  47          2HB       PRO  47   4.851 -15.997   4.961
  347   2HB   PRO  47          1HB       PRO  47   6.413 -16.581   4.407
  348   1HG   PRO  47          2HG       PRO  47   5.921 -15.084   6.693
  349   2HG   PRO  47          1HG       PRO  47   7.497 -15.437   5.981
  350   1HD   PRO  47          2HD       PRO  47   6.217 -12.923   6.165
  351   2HD   PRO  47          1HD       PRO  47   7.715 -13.318   5.299
  352    H    GLY  48           H        GLY  48   5.434 -15.236   1.045
  353   1HA   GLY  48          2HA       GLY  48   3.624 -15.767  -0.281
  354   2HA   GLY  48          1HA       GLY  48   2.672 -15.968   1.186
  355    H    VAL  49           H        VAL  49   4.244 -12.951   0.977
  356    HA   VAL  49           HA       VAL  49   1.834 -11.693  -0.150
  357    HB   VAL  49           HB       VAL  49   3.361 -10.715   2.266
  358   1HG1  VAL  49          1HG1      VAL  49   0.960  -9.367   2.152
  359   2HG1  VAL  49          2HG1      VAL  49   1.467  -9.437   0.463
  360   3HG1  VAL  49          3HG1      VAL  49   2.533  -8.726   1.674
  361   1HG2  VAL  49          1HG2      VAL  49   0.591 -11.892   2.076
  362   2HG2  VAL  49          2HG2      VAL  49   1.343 -11.242   3.533
  363   3HG2  VAL  49          3HG2      VAL  49   2.005 -12.686   2.767
  364    H    ASN  50           H        ASN  50   2.206 -10.115  -1.606
  365    HA   ASN  50           HA       ASN  50   4.990  -9.492  -2.233
  366   1HB   ASN  50          2HB       ASN  50   2.661  -8.525  -3.857
  367   2HB   ASN  50          1HB       ASN  50   4.297  -8.923  -4.383
  368   1HD2  ASN  50          1HD2      ASN  50   1.120 -10.005  -4.054
  369   2HD2  ASN  50          2HD2      ASN  50   1.377 -11.664  -4.499
  370    H    LEU  51           H        LEU  51   5.710  -7.338  -2.558
  371    HA   LEU  51           HA       LEU  51   4.068  -5.117  -1.784
  372   1HB   LEU  51          2HB       LEU  51   4.562  -5.842   0.419
  373   2HB   LEU  51          1HB       LEU  51   6.239  -6.157   0.019
  374    HG   LEU  51           HG       LEU  51   6.389  -3.599  -0.383
  375   1HD1  LEU  51          1HD1      LEU  51   4.800  -2.224   0.554
  376   2HD1  LEU  51          2HD1      LEU  51   4.161  -3.493   1.597
  377   3HD1  LEU  51          3HD1      LEU  51   3.802  -3.507  -0.129
  378   1HD2  LEU  51          1HD2      LEU  51   7.138  -5.180   1.624
  379   2HD2  LEU  51          2HD2      LEU  51   5.978  -4.174   2.491
  380   3HD2  LEU  51          3HD2      LEU  51   7.347  -3.429   1.665
  381    H    ASN  52           H        ASN  52   5.013  -3.108  -2.302
  382    HA   ASN  52           HA       ASN  52   7.741  -3.035  -3.272
  383   1HB   ASN  52          2HB       ASN  52   7.335  -2.578  -5.521
  384   2HB   ASN  52          1HB       ASN  52   6.174  -3.851  -5.168
  385   1HD2  ASN  52          1HD2      ASN  52   4.121  -2.612  -4.010
  386   2HD2  ASN  52          2HD2      ASN  52   3.435  -1.425  -5.061
  387    H    CYS  53           H        CYS  53   8.639  -1.157  -2.746
  388    HA   CYS  53           HA       CYS  53   6.983   0.998  -1.755
  389   1HB   CYS  53          2HB       CYS  53   9.959   1.195  -1.960
  390   2HB   CYS  53          1HB       CYS  53   8.876   1.797  -0.710
  391    H    CYS  54           H        CYS  54   7.264   3.201  -2.426
  392    HA   CYS  54           HA       CYS  54   8.634   3.842  -4.857
  393   1HB   CYS  54          2HB       CYS  54   6.395   4.696  -5.895
  394   2HB   CYS  54          1HB       CYS  54   6.860   3.007  -6.096
  395    H    ARG  55           H        ARG  55   8.611   6.000  -5.372
  396    HA   ARG  55           HA       ARG  55   7.830   7.724  -3.137
  397   1HB   ARG  55          2HB       ARG  55   9.955   8.805  -4.721
  398   2HB   ARG  55          1HB       ARG  55   9.941   8.386  -3.017
  399   1HG   ARG  55          2HG       ARG  55  10.545   6.095  -3.571
  400   2HG   ARG  55          1HG       ARG  55  10.554   6.513  -5.288
  401   1HD   ARG  55          2HD       ARG  55  12.341   7.681  -3.155
  402   2HD   ARG  55          1HD       ARG  55  12.814   6.495  -4.373
  403    HE   ARG  55           HE       ARG  55  11.730   8.750  -5.640
  404   1HH1  ARG  55          1HH1      ARG  55  14.565   7.781  -3.851
  405   2HH1  ARG  55          2HH1      ARG  55  15.602   8.933  -4.625
  406   1HH2  ARG  55          1HH2      ARG  55  13.095  10.266  -6.662
  407   2HH2  ARG  55          2HH2      ARG  55  14.767  10.343  -6.220
  408    H    THR  56           H        THR  56   6.076   7.221  -5.300
  409    HA   THR  56           HA       THR  56   6.065   9.867  -6.594
  410    HB   THR  56           HB       THR  56   4.745   7.569  -7.954
  411    HG1  THR  56           1HG      THR  56   6.625   6.567  -7.772
  412   1HG2  THR  56          1HG2      THR  56   5.577  10.226  -8.639
  413   2HG2  THR  56          2HG2      THR  56   4.550   9.103  -9.531
  414   3HG2  THR  56          3HG2      THR  56   6.302   9.045  -9.730
  415    H    ASP  57           H        ASP  57   4.021  10.822  -6.945
  416    HA   ASP  57           HA       ASP  57   2.150  10.417  -4.882
  417   1HB   ASP  57          2HB       ASP  57   2.371  12.143  -7.267
  418   2HB   ASP  57          1HB       ASP  57   0.721  11.825  -6.724
  419    H    ARG  58           H        ARG  58   0.521   9.028  -4.685
  420    HA   ARG  58           HA       ARG  58  -1.011   7.415  -5.149
  421   1HB   ARG  58          2HB       ARG  58  -1.036   8.755  -7.860
  422   2HB   ARG  58          1HB       ARG  58  -2.225   7.578  -7.301
  423   1HG   ARG  58          2HG       ARG  58  -2.884   9.104  -5.507
  424   2HG   ARG  58          1HG       ARG  58  -1.700  10.281  -6.077
  425   1HD   ARG  58          2HD       ARG  58  -2.895  10.223  -8.300
  426   2HD   ARG  58          1HD       ARG  58  -4.165   9.298  -7.498
  427    HE   ARG  58           HE       ARG  58  -4.910  11.233  -6.542
  428   1HH1  ARG  58          1HH1      ARG  58  -1.648  11.741  -7.675
  429   2HH1  ARG  58          2HH1      ARG  58  -1.661  13.438  -7.333
  430   1HH2  ARG  58          1HH2      ARG  58  -4.928  13.465  -6.091
  431   2HH2  ARG  58          2HH2      ARG  58  -3.522  14.417  -6.433
  432    H    CYS  59           H        CYS  59   1.864   6.958  -5.662
  433    HA   CYS  59           HA       CYS  59   2.244   5.398  -7.964
  434   1HB   CYS  59          2HB       CYS  59   4.297   4.702  -6.952
  435   2HB   CYS  59          1HB       CYS  59   4.039   6.391  -6.523
  436    H    ASN  60           H        ASN  60   0.617   4.728  -5.018
  437    HA   ASN  60           HA       ASN  60   0.743   1.831  -5.465
  438   1HB   ASN  60          2HB       ASN  60  -0.475   1.773  -3.227
  439   2HB   ASN  60          1HB       ASN  60   1.192   2.356  -3.202
  440   1HD2  ASN  60          1HD2      ASN  60   0.584   3.315  -1.167
  441   2HD2  ASN  60          2HD2      ASN  60  -0.226   4.851  -1.156
  442    H    ASN  61           H        ASN  61  -0.922   3.998  -6.932
  443    HA   ASN  61           HA       ASN  61  -3.625   3.622  -6.347
  444   1HB   ASN  61          2HB       ASN  61  -4.067   4.640  -8.451
  445   2HB   ASN  61          1HB       ASN  61  -2.599   5.388  -7.839
  446   1HD2  ASN  61          1HD2      ASN  61  -0.587   4.762  -8.745
  447   2HD2  ASN  61          2HD2      ASN  61  -0.509   4.116 -10.355
  Start of MODEL    4
    1   1H    LEU   1          1HT       LEU   1   4.843  13.983   1.316
    2   2H    LEU   1          2HT       LEU   1   3.551  13.280   2.202
    3   3H    LEU   1          3HT       LEU   1   3.365  14.833   1.495
    4    HA   LEU   1           HA       LEU   1   3.327  14.001  -0.632
    5   1HB   LEU   1          2HB       LEU   1   5.133  12.198   0.351
    6   2HB   LEU   1          1HB       LEU   1   3.727  11.179   0.103
    7    HG   LEU   1           HG       LEU   1   4.803  12.959  -2.073
    8   1HD1  LEU   1          1HD1      LEU   1   5.705  10.242  -1.209
    9   2HD1  LEU   1          2HD1      LEU   1   6.666  11.638  -1.696
   10   3HD1  LEU   1          3HD1      LEU   1   5.776  10.713  -2.906
   11   1HD2  LEU   1          1HD2      LEU   1   2.642  12.250  -2.609
   12   2HD2  LEU   1          2HD2      LEU   1   2.901  10.643  -1.929
   13   3HD2  LEU   1          3HD2      LEU   1   3.691  11.100  -3.438
   14    H    GLU   2           H        GLU   2   1.389  13.416  -1.500
   15    HA   GLU   2           HA       GLU   2  -0.662  12.556   0.386
   16   1HB   GLU   2          2HB       GLU   2  -0.594  14.341  -1.816
   17   2HB   GLU   2          1HB       GLU   2  -1.704  13.045  -2.240
   18   1HG   GLU   2          2HG       GLU   2  -3.196  13.597  -0.617
   19   2HG   GLU   2          1HG       GLU   2  -1.960  14.258   0.452
   20    H    CYS   3           H        CYS   3   0.235  10.354   0.446
   21    HA   CYS   3           HA       CYS   3   0.046   8.722  -1.907
   22   1HB   CYS   3          2HB       CYS   3   0.484   7.987   0.995
   23   2HB   CYS   3          1HB       CYS   3   0.655   6.892  -0.374
   24    H    HIS   4           H        HIS   4  -1.054   6.391  -1.143
   25    HA   HIS   4           HA       HIS   4  -3.868   7.105  -0.651
   26   1HB   HIS   4          2HB       HIS   4  -2.593   4.983  -2.362
   27   2HB   HIS   4          1HB       HIS   4  -4.270   4.837  -1.831
   28    HD1  HIS   4           1HD      HIS   4  -5.462   7.494  -2.286
   29    HD2  HIS   4           2HD      HIS   4  -2.643   5.906  -4.892
   30    HE1  HIS   4           1HE      HIS   4  -5.810   8.697  -4.465
   31    HE2  HIS   4           2HE      HIS   4  -4.187   7.621  -6.062
   32    H    ASN   5           H        ASN   5  -5.190   5.452   0.416
   33    HA   ASN   5           HA       ASN   5  -3.889   3.408   1.964
   34   1HB   ASN   5          2HB       ASN   5  -4.515   4.316   4.167
   35   2HB   ASN   5          1HB       ASN   5  -3.367   5.370   3.337
   36   1HD2  ASN   5          1HD2      ASN   5  -6.249   5.224   4.993
   37   2HD2  ASN   5          2HD2      ASN   5  -6.882   6.783   4.566
   38    H    GLN   6           H        GLN   6  -5.560   2.515   0.407
   39    HA   GLN   6           HA       GLN   6  -8.164   2.376   1.777
   40   1HB   GLN   6          2HB       GLN   6  -9.164   2.014  -0.509
   41   2HB   GLN   6          1HB       GLN   6  -8.557   3.637  -0.202
   42   1HG   GLN   6          2HG       GLN   6  -7.057   3.508  -1.842
   43   2HG   GLN   6          1HG       GLN   6  -6.559   1.881  -1.380
   44   1HE2  GLN   6          1HE2      GLN   6  -6.502   2.075  -3.897
   45   2HE2  GLN   6          2HE2      GLN   6  -7.909   1.446  -4.697
   46    H    GLN   7           H        GLN   7  -8.226   0.420   2.700
   47    HA   GLN   7           HA       GLN   7  -6.921  -1.857   1.499
   48   1HB   GLN   7          2HB       GLN   7  -7.991  -3.036   3.508
   49   2HB   GLN   7          1HB       GLN   7  -6.749  -1.840   3.839
   50   1HG   GLN   7          2HG       GLN   7  -8.325  -0.259   4.571
   51   2HG   GLN   7          1HG       GLN   7  -9.673  -1.172   3.896
   52   1HE2  GLN   7          1HE2      GLN   7 -10.509  -0.838   6.100
   53   2HE2  GLN   7          2HE2      GLN   7 -10.081  -1.994   7.323
   54    H    SER   8           H        SER   8  -8.004  -2.334  -0.386
   55    HA   SER   8           HA       SER   8  -9.562  -3.369  -1.689
   56   1HB   SER   8          2HB       SER   8 -11.130  -3.966   0.827
   57   2HB   SER   8          1HB       SER   8 -11.167  -4.842  -0.709
   58    HG   SER   8           HG       SER   8  -8.914  -5.351  -0.282
   59    H    SER   9           H        SER   9 -11.860  -3.146  -2.422
   60    HA   SER   9           HA       SER   9 -13.753  -1.943  -2.841
   61   1HB   SER   9          2HB       SER   9 -13.146  -0.106  -0.532
   62   2HB   SER   9          1HB       SER   9 -14.713  -0.533  -1.218
   63    HG   SER   9           HG       SER   9 -14.772  -2.238   0.012
   64    H    GLN  10           H        GLN  10 -13.445  -0.915  -4.681
   65    HA   GLN  10           HA       GLN  10 -11.419   0.733  -5.451
   66   1HB   GLN  10          2HB       GLN  10 -14.254   1.151  -6.382
   67   2HB   GLN  10          1HB       GLN  10 -12.764   1.401  -7.286
   68   1HG   GLN  10          2HG       GLN  10 -13.191  -0.592  -8.169
   69   2HG   GLN  10          1HG       GLN  10 -12.582  -1.237  -6.641
   70   1HE2  GLN  10          1HE2      GLN  10 -15.229  -0.989  -8.734
   71   2HE2  GLN  10          2HE2      GLN  10 -16.413  -1.755  -7.722
   72    H    ALA  11           H        ALA  11 -11.781   3.118  -6.186
   73    HA   ALA  11           HA       ALA  11 -12.152   5.320  -5.683
   74   1HB   ALA  11          1HB       ALA  11 -14.417   4.254  -4.746
   75   2HB   ALA  11          2HB       ALA  11 -13.997   5.953  -4.523
   76   3HB   ALA  11          3HB       ALA  11 -13.713   4.796  -3.223
   77    HA   PRO  12           HA       PRO  12  -8.602   4.386  -2.709
   78   1HB   PRO  12          2HB       PRO  12  -7.729   6.641  -4.481
   79   2HB   PRO  12          1HB       PRO  12  -6.772   5.320  -3.794
   80   1HG   PRO  12          2HG       PRO  12  -7.535   5.153  -6.303
   81   2HG   PRO  12          1HG       PRO  12  -7.696   3.734  -5.241
   82   1HD   PRO  12          2HD       PRO  12  -9.806   5.625  -6.207
   83   2HD   PRO  12          1HD       PRO  12  -9.889   3.863  -5.971
   84    H    THR  13           H        THR  13  -7.503   5.935  -1.254
   85    HA   THR  13           HA       THR  13  -9.097   8.348  -0.721
   86    HB   THR  13           HB       THR  13  -7.998   6.582   1.462
   87    HG1  THR  13           1HG      THR  13  -9.551   5.273   0.976
   88   1HG2  THR  13          1HG2      THR  13  -9.947   7.712   2.695
   89   2HG2  THR  13          2HG2      THR  13  -9.876   8.902   1.395
   90   3HG2  THR  13          3HG2      THR  13  -8.467   8.633   2.421
   91    H    THR  14           H        THR  14  -7.898  10.128  -0.594
   92    HA   THR  14           HA       THR  14  -5.025   9.938  -0.671
   93    HB   THR  14           HB       THR  14  -5.036  12.292  -1.074
   94    HG1  THR  14           1HG      THR  14  -6.969  13.505  -0.808
   95   1HG2  THR  14          1HG2      THR  14  -7.025  10.673  -2.485
   96   2HG2  THR  14          2HG2      THR  14  -5.721  11.682  -3.111
   97   3HG2  THR  14          3HG2      THR  14  -7.249  12.416  -2.623
   98    H    LYS  15           H        LYS  15  -3.576  10.485   0.890
   99    HA   LYS  15           HA       LYS  15  -4.636  11.385   3.481
  100   1HB   LYS  15          2HB       LYS  15  -3.816   8.818   3.045
  101   2HB   LYS  15          1HB       LYS  15  -2.327   9.561   3.615
  102   1HG   LYS  15          2HG       LYS  15  -3.938  10.501   5.488
  103   2HG   LYS  15          1HG       LYS  15  -4.879   9.075   5.046
  104   1HD   LYS  15          2HD       LYS  15  -2.354   8.051   5.220
  105   2HD   LYS  15          1HD       LYS  15  -2.330   9.287   6.479
  106   1HE   LYS  15          2HE       LYS  15  -4.739   7.595   6.406
  107   2HE   LYS  15          1HE       LYS  15  -3.244   6.766   6.837
  108   1HZ   LYS  15          1HZ       LYS  15  -2.937   8.707   8.460
  109   2HZ   LYS  15          2HZ       LYS  15  -4.060   7.505   8.856
  110   3HZ   LYS  15          3HZ       LYS  15  -4.591   8.985   8.235
  111    H    THR  16           H        THR  16  -2.290  11.518   4.896
  112    HA   THR  16           HA       THR  16  -0.353  13.016   3.335
  113    HB   THR  16           HB       THR  16  -0.888  14.646   5.607
  114    HG1  THR  16           1HG      THR  16  -3.026  15.231   5.187
  115   1HG2  THR  16          1HG2      THR  16  -0.131  15.962   3.968
  116   2HG2  THR  16          2HG2      THR  16  -1.835  16.098   3.537
  117   3HG2  THR  16          3HG2      THR  16  -0.802  14.942   2.695
  118    H    CYS  17           H        CYS  17   1.648  12.701   4.079
  119    HA   CYS  17           HA       CYS  17   1.960  11.666   6.821
  120   1HB   CYS  17          2HB       CYS  17   2.944  10.649   4.245
  121   2HB   CYS  17          1HB       CYS  17   4.182  10.749   5.499
  122    H    SER  18           H        SER  18   2.288  13.849   7.529
  123    HA   SER  18           HA       SER  18   4.420  15.436   6.485
  124   1HB   SER  18          2HB       SER  18   3.956  16.535   8.918
  125   2HB   SER  18          1HB       SER  18   2.968  16.865   7.495
  126    HG   SER  18           HG       SER  18   2.436  15.180   9.681
  127    H    GLY  19           H        GLY  19   5.875  13.411   6.682
  128   1HA   GLY  19          2HA       GLY  19   7.863  13.943   8.584
  129   2HA   GLY  19          1HA       GLY  19   6.881  12.611   9.190
  130    H    GLU  20           H        GLU  20   6.313  11.261   6.845
  131    HA   GLU  20           HA       GLU  20   8.837   9.949   6.382
  132   1HB   GLU  20          2HB       GLU  20   5.981   9.401   5.715
  133   2HB   GLU  20          1HB       GLU  20   7.225   8.611   4.746
  134   1HG   GLU  20          2HG       GLU  20   7.121   8.476   7.749
  135   2HG   GLU  20          1HG       GLU  20   6.363   7.289   6.688
  136    H    THR  21           H        THR  21   8.964   9.116   3.898
  137    HA   THR  21           HA       THR  21   8.751  11.474   2.163
  138    HB   THR  21           HB       THR  21  11.143   9.676   1.991
  139    HG1  THR  21           1HG      THR  21  10.945  11.971   3.645
  140   1HG2  THR  21          1HG2      THR  21  10.564  12.508   1.199
  141   2HG2  THR  21          2HG2      THR  21  11.045  11.153   0.177
  142   3HG2  THR  21          3HG2      THR  21  12.203  11.867   1.300
  143    H    ASN  22           H        ASN  22   9.675   8.047   2.112
  144    HA   ASN  22           HA       ASN  22   8.446   7.755  -0.521
  145   1HB   ASN  22          2HB       ASN  22   9.693   5.434   0.875
  146   2HB   ASN  22          1HB       ASN  22   9.737   5.879  -0.832
  147   1HD2  ASN  22          1HD2      ASN  22  11.803   5.182   1.263
  148   2HD2  ASN  22          2HD2      ASN  22  12.986   6.444   1.120
  149    H    CYS  23           H        CYS  23   6.954   6.022  -0.956
  150    HA   CYS  23           HA       CYS  23   5.409   5.157   1.392
  151   1HB   CYS  23          2HB       CYS  23   4.547   6.515  -1.100
  152   2HB   CYS  23          1HB       CYS  23   3.518   5.206  -0.525
  153    H    TYR  24           H        TYR  24   3.672   3.408   0.274
  154    HA   TYR  24           HA       TYR  24   4.987   1.687  -1.615
  155   1HB   TYR  24          2HB       TYR  24   5.186  -0.259  -0.124
  156   2HB   TYR  24          1HB       TYR  24   6.227   1.069   0.384
  157    HD1  TYR  24           1HD      TYR  24   6.216   1.701   2.609
  158    HD2  TYR  24           2HD      TYR  24   2.832  -0.359   1.056
  159    HE1  TYR  24           1HE      TYR  24   5.245   1.616   4.864
  160    HE2  TYR  24           2HE      TYR  24   1.850  -0.442   3.308
  161    HH   TYR  24           HH       TYR  24   1.995   0.386   5.425
  162    H    LYS  25           H        LYS  25   3.808  -0.531  -1.615
  163    HA   LYS  25           HA       LYS  25   1.002  -0.403  -0.930
  164   1HB   LYS  25          2HB       LYS  25   1.437   0.725  -3.259
  165   2HB   LYS  25          1HB       LYS  25   1.625  -0.937  -3.816
  166   1HG   LYS  25          2HG       LYS  25  -0.641  -1.388  -2.775
  167   2HG   LYS  25          1HG       LYS  25  -0.808   0.363  -2.638
  168   1HD   LYS  25          2HD       LYS  25  -1.749   0.120  -4.687
  169   2HD   LYS  25          1HD       LYS  25  -0.064   0.200  -5.205
  170   1HE   LYS  25          2HE       LYS  25  -0.030  -1.955  -5.842
  171   2HE   LYS  25          1HE       LYS  25  -0.980  -2.482  -4.453
  172   1HZ   LYS  25          1HZ       LYS  25  -2.353  -0.950  -6.529
  173   2HZ   LYS  25          2HZ       LYS  25  -2.924  -2.216  -5.565
  174   3HZ   LYS  25          3HZ       LYS  25  -1.931  -2.548  -6.893
  175    H    LYS  26           H        LYS  26   0.429  -2.373  -0.266
  176    HA   LYS  26           HA       LYS  26   1.959  -4.668  -1.304
  177   1HB   LYS  26          2HB       LYS  26   1.288  -5.723   0.954
  178   2HB   LYS  26          1HB       LYS  26   2.605  -4.573   0.913
  179   1HG   LYS  26          2HG       LYS  26   0.045  -3.294   1.378
  180   2HG   LYS  26          1HG       LYS  26   0.427  -4.514   2.594
  181   1HD   LYS  26          2HD       LYS  26   2.808  -3.216   2.358
  182   2HD   LYS  26          1HD       LYS  26   1.661  -1.904   2.081
  183   1HE   LYS  26          2HE       LYS  26   1.343  -3.788   4.393
  184   2HE   LYS  26          1HE       LYS  26   2.416  -2.394   4.496
  185   1HZ   LYS  26          1HZ       LYS  26  -0.285  -2.420   4.970
  186   2HZ   LYS  26          2HZ       LYS  26  -0.137  -1.670   3.461
  187   3HZ   LYS  26          3HZ       LYS  26   0.692  -1.051   4.799
  188    H    TRP  27           H        TRP  27   0.879  -6.686  -1.388
  189    HA   TRP  27           HA       TRP  27  -1.959  -6.827  -1.048
  190   1HB   TRP  27          2HB       TRP  27  -2.438  -7.434  -3.432
  191   2HB   TRP  27          1HB       TRP  27  -2.067  -5.752  -3.174
  192    HD1  TRP  27           HD       TRP  27  -0.968  -8.748  -4.997
  193    HE1  TRP  27           1HE      TRP  27   0.984  -8.167  -6.550
  194    HE3  TRP  27           3HE      TRP  27   0.051  -4.055  -3.287
  195    HZ2  TRP  27           2HZ      TRP  27   2.741  -6.003  -7.005
  196    HZ3  TRP  27           3HZ      TRP  27   1.877  -2.793  -4.336
  197    HH2  TRP  27           HH       TRP  27   3.195  -3.744  -6.156
  198    H    TRP  28           H        TRP  28  -2.832  -8.942  -1.675
  199    HA   TRP  28           HA       TRP  28  -0.977 -11.087  -2.187
  200   1HB   TRP  28          2HB       TRP  28  -1.508 -12.271  -0.036
  201   2HB   TRP  28          1HB       TRP  28  -0.529 -10.819   0.166
  202    HD1  TRP  28           HD       TRP  28  -3.979 -12.198   0.882
  203    HE1  TRP  28           1HE      TRP  28  -5.133 -10.639   2.535
  204    HE3  TRP  28           3HE      TRP  28  -0.585  -8.372   0.952
  205    HZ2  TRP  28           2HZ      TRP  28  -4.706  -8.133   3.748
  206    HZ3  TRP  28           3HZ      TRP  28  -1.037  -6.430   2.395
  207    HH2  TRP  28           HH       TRP  28  -3.058  -6.316   3.763
  208    H    SER  29           H        SER  29  -2.264 -13.271  -1.639
  209    HA   SER  29           HA       SER  29  -5.072 -12.948  -2.433
  210   1HB   SER  29          2HB       SER  29  -3.215 -14.978  -3.695
  211   2HB   SER  29          1HB       SER  29  -4.895 -14.646  -4.134
  212    HG   SER  29           HG       SER  29  -2.802 -12.738  -4.310
  213    H    ASP  30           H        ASP  30  -5.511 -13.436  -0.212
  214    HA   ASP  30           HA       ASP  30  -4.730 -16.036   0.806
  215   1HB   ASP  30          2HB       ASP  30  -6.044 -15.332   2.822
  216   2HB   ASP  30          1HB       ASP  30  -4.736 -14.227   2.390
  217    H    HIS  31           H        HIS  31  -6.746 -17.060   2.137
  218    HA   HIS  31           HA       HIS  31  -8.320 -18.349   0.233
  219   1HB   HIS  31          2HB       HIS  31  -9.705 -19.072   2.226
  220   2HB   HIS  31          1HB       HIS  31  -7.982 -19.416   2.335
  221    HD1  HIS  31           1HD      HIS  31 -10.700 -17.459   3.928
  222    HD2  HIS  31           2HD      HIS  31  -6.574 -17.844   4.234
  223    HE1  HIS  31           1HE      HIS  31 -10.078 -16.327   6.086
  224    HE2  HIS  31           2HE      HIS  31  -7.589 -16.656   6.296
  225    H    ARG  32           H        ARG  32  -9.153 -15.678   2.422
  226    HA   ARG  32           HA       ARG  32 -11.838 -15.420   1.672
  227   1HB   ARG  32          2HB       ARG  32  -9.832 -13.712   3.027
  228   2HB   ARG  32          1HB       ARG  32 -11.216 -12.874   2.325
  229   1HG   ARG  32          2HG       ARG  32 -12.671 -14.518   3.587
  230   2HG   ARG  32          1HG       ARG  32 -11.209 -14.995   4.452
  231   1HD   ARG  32          2HD       ARG  32 -11.633 -12.102   4.325
  232   2HD   ARG  32          1HD       ARG  32 -12.897 -12.974   5.189
  233    HE   ARG  32           HE       ARG  32 -10.572 -13.975   6.203
  234   1HH1  ARG  32          1HH1      ARG  32 -11.930 -10.776   5.880
  235   2HH1  ARG  32          2HH1      ARG  32 -11.138 -10.162   7.293
  236   1HH2  ARG  32          1HH2      ARG  32  -9.531 -13.168   8.061
  237   2HH2  ARG  32          2HH2      ARG  32  -9.777 -11.520   8.531
  238    H    GLY  33           H        GLY  33  -8.893 -14.282   0.170
  239   1HA   GLY  33          2HA       GLY  33  -9.506 -14.083  -2.371
  240   2HA   GLY  33          1HA       GLY  33 -10.420 -12.701  -1.771
  241    H    THR  34           H        THR  34  -9.023 -11.526  -3.296
  242    HA   THR  34           HA       THR  34  -6.254 -11.188  -2.452
  243    HB   THR  34           HB       THR  34  -7.757  -9.934  -4.759
  244    HG1  THR  34           1HG      THR  34  -6.576 -11.477  -5.984
  245   1HG2  THR  34          1HG2      THR  34  -5.866  -8.961  -5.496
  246   2HG2  THR  34          2HG2      THR  34  -4.824 -10.209  -4.815
  247   3HG2  THR  34          3HG2      THR  34  -5.484  -8.947  -3.774
  248    H    ILE  35           H        ILE  35  -5.472  -9.446  -1.409
  249    HA   ILE  35           HA       ILE  35  -7.266  -7.148  -0.997
  250    HB   ILE  35           HB       ILE  35  -5.514  -8.292   1.175
  251   1HG1  ILE  35          2HG1      ILE  35  -8.512  -8.569   0.868
  252   2HG1  ILE  35          1HG1      ILE  35  -7.352  -9.853   0.545
  253   1HG2  ILE  35          1HG2      ILE  35  -6.826  -6.817   2.630
  254   2HG2  ILE  35          2HG2      ILE  35  -7.703  -6.220   1.222
  255   3HG2  ILE  35          3HG2      ILE  35  -5.973  -5.915   1.378
  256   1HD1  ILE  35          1HD1      ILE  35  -6.655  -9.153   3.062
  257   2HD1  ILE  35          2HD1      ILE  35  -7.789 -10.441   2.656
  258   3HD1  ILE  35          3HD1      ILE  35  -8.391  -8.841   3.087
  259    H    ILE  36           H        ILE  36  -6.214  -5.143  -0.580
  260    HA   ILE  36           HA       ILE  36  -3.315  -5.078  -0.987
  261    HB   ILE  36           HB       ILE  36  -3.411  -3.428  -2.720
  262   1HG1  ILE  36          2HG1      ILE  36  -6.420  -3.554  -2.396
  263   2HG1  ILE  36          1HG1      ILE  36  -5.381  -2.180  -2.029
  264   1HG2  ILE  36          1HG2      ILE  36  -5.438  -5.245  -3.841
  265   2HG2  ILE  36          2HG2      ILE  36  -4.043  -6.022  -3.094
  266   3HG2  ILE  36          3HG2      ILE  36  -3.810  -4.868  -4.406
  267   1HD1  ILE  36          1HD1      ILE  36  -6.488  -3.076  -4.579
  268   2HD1  ILE  36          2HD1      ILE  36  -4.786  -2.621  -4.640
  269   3HD1  ILE  36          3HD1      ILE  36  -5.986  -1.469  -4.055
  270    H    GLU  37           H        GLU  37  -2.336  -3.657   0.349
  271    HA   GLU  37           HA       GLU  37  -3.971  -1.493   1.485
  272   1HB   GLU  37          2HB       GLU  37  -2.111  -1.952   3.433
  273   2HB   GLU  37          1HB       GLU  37  -3.766  -2.556   3.453
  274   1HG   GLU  37          2HG       GLU  37  -3.125  -4.677   2.771
  275   2HG   GLU  37          1HG       GLU  37  -1.563  -4.124   2.176
  276    H    ARG  38           H        ARG  38  -2.411   0.148   2.643
  277    HA   ARG  38           HA       ARG  38   0.017   0.535   1.051
  278   1HB   ARG  38          2HB       ARG  38  -2.187   2.570   1.393
  279   2HB   ARG  38          1HB       ARG  38  -0.587   2.951   0.776
  280   1HG   ARG  38          2HG       ARG  38  -1.439   2.558  -1.239
  281   2HG   ARG  38          1HG       ARG  38  -1.359   0.848  -0.808
  282   1HD   ARG  38          2HD       ARG  38  -3.636   0.883  -0.038
  283   2HD   ARG  38          1HD       ARG  38  -3.727   2.629  -0.260
  284    HE   ARG  38           HE       ARG  38  -4.200   2.268  -2.458
  285   1HH1  ARG  38          1HH1      ARG  38  -2.667  -0.598  -1.186
  286   2HH1  ARG  38          2HH1      ARG  38  -2.890  -1.514  -2.640
  287   1HH2  ARG  38          1HH2      ARG  38  -4.495   1.063  -4.368
  288   2HH2  ARG  38          2HH2      ARG  38  -3.926  -0.570  -4.446
  289    H    GLY  39           H        GLY  39   1.044   2.766   1.930
  290   1HA   GLY  39          2HA       GLY  39   0.780   3.695   4.473
  291   2HA   GLY  39          1HA       GLY  39   1.677   2.199   4.681
  292    H    CYS  40           H        CYS  40   2.553   4.909   5.243
  293    HA   CYS  40           HA       CYS  40   4.401   5.658   3.182
  294   1HB   CYS  40          2HB       CYS  40   4.149   6.628   6.036
  295   2HB   CYS  40          1HB       CYS  40   5.081   7.399   4.755
  296    H    GLY  41           H        GLY  41   6.544   5.253   3.058
  297   1HA   GLY  41          2HA       GLY  41   8.636   4.794   4.315
  298   2HA   GLY  41          1HA       GLY  41   7.715   3.574   5.194
  299    H    CYS  42           H        CYS  42   9.387   2.076   4.518
  300    HA   CYS  42           HA       CYS  42   8.631   0.702   2.115
  301   1HB   CYS  42          2HB       CYS  42  10.171   2.410   1.206
  302   2HB   CYS  42          1HB       CYS  42  11.439   1.823   2.286
  303    HA   PRO  43           HA       PRO  43  10.530  -1.849   5.538
  304   1HB   PRO  43          2HB       PRO  43   8.330  -3.095   6.432
  305   2HB   PRO  43          1HB       PRO  43   8.758  -1.466   6.982
  306   1HG   PRO  43          2HG       PRO  43   6.750  -2.307   4.927
  307   2HG   PRO  43          1HG       PRO  43   6.613  -1.064   6.187
  308   1HD   PRO  43          2HD       PRO  43   7.206  -0.536   3.553
  309   2HD   PRO  43          1HD       PRO  43   7.669   0.513   4.910
  310    H    LYS  44           H        LYS  44  10.498  -4.256   5.735
  311    HA   LYS  44           HA       LYS  44  10.352  -5.437   3.089
  312   1HB   LYS  44          2HB       LYS  44  11.681  -6.081   5.649
  313   2HB   LYS  44          1HB       LYS  44  11.182  -7.466   4.686
  314   1HG   LYS  44          2HG       LYS  44  12.476  -6.677   2.808
  315   2HG   LYS  44          1HG       LYS  44  12.901  -5.206   3.684
  316   1HD   LYS  44          2HD       LYS  44  14.461  -6.251   4.946
  317   2HD   LYS  44          1HD       LYS  44  13.527  -7.745   5.050
  318   1HE   LYS  44          2HE       LYS  44  14.899  -6.866   2.523
  319   2HE   LYS  44          1HE       LYS  44  15.711  -7.840   3.749
  320   1HZ   LYS  44          1HZ       LYS  44  13.627  -8.588   1.867
  321   2HZ   LYS  44          2HZ       LYS  44  13.481  -9.240   3.421
  322   3HZ   LYS  44          3HZ       LYS  44  14.885  -9.514   2.517
  323    H    VAL  45           H        VAL  45   9.718  -7.972   3.326
  324    HA   VAL  45           HA       VAL  45   7.286  -8.293   4.885
  325    HB   VAL  45           HB       VAL  45   6.036  -9.087   2.828
  326   1HG1  VAL  45          1HG1      VAL  45   5.420  -6.761   2.146
  327   2HG1  VAL  45          2HG1      VAL  45   6.742  -6.177   3.155
  328   3HG1  VAL  45          3HG1      VAL  45   5.392  -7.046   3.886
  329   1HG2  VAL  45          1HG2      VAL  45   6.835  -8.807   0.736
  330   2HG2  VAL  45          2HG2      VAL  45   8.399  -8.844   1.550
  331   3HG2  VAL  45          3HG2      VAL  45   7.657  -7.299   1.138
  332    H    LYS  46           H        LYS  46   6.402 -10.518   4.684
  333    HA   LYS  46           HA       LYS  46   8.521 -12.410   4.795
  334   1HB   LYS  46          2HB       LYS  46   5.582 -12.478   5.349
  335   2HB   LYS  46          1HB       LYS  46   6.480 -13.982   5.228
  336   1HG   LYS  46          2HG       LYS  46   7.013 -11.736   7.159
  337   2HG   LYS  46          1HG       LYS  46   6.287 -13.300   7.536
  338   1HD   LYS  46          2HD       LYS  46   8.571 -14.118   6.378
  339   2HD   LYS  46          1HD       LYS  46   9.111 -12.581   7.053
  340   1HE   LYS  46          2HE       LYS  46   9.531 -14.039   8.791
  341   2HE   LYS  46          1HE       LYS  46   7.934 -13.420   9.213
  342   1HZ   LYS  46          1HZ       LYS  46   7.518 -15.615   9.429
  343   2HZ   LYS  46          2HZ       LYS  46   8.723 -16.085   8.339
  344   3HZ   LYS  46          3HZ       LYS  46   7.238 -15.514   7.764
  345    HA   PRO  47           HA       PRO  47   7.978 -14.288   0.846
  346   1HB   PRO  47          2HB       PRO  47   8.185 -16.982   1.508
  347   2HB   PRO  47          1HB       PRO  47   9.523 -15.886   1.231
  348   1HG   PRO  47          2HG       PRO  47   8.687 -17.088   3.659
  349   2HG   PRO  47          1HG       PRO  47  10.105 -16.089   3.358
  350   1HD   PRO  47          2HD       PRO  47   7.623 -15.385   4.658
  351   2HD   PRO  47          1HD       PRO  47   9.127 -14.454   4.526
  352    H    GLY  48           H        GLY  48   5.797 -13.749   0.442
  353   1HA   GLY  48          2HA       GLY  48   4.094 -15.689  -0.389
  354   2HA   GLY  48          1HA       GLY  48   3.669 -15.494   1.312
  355    H    VAL  49           H        VAL  49   4.355 -12.618   1.240
  356    HA   VAL  49           HA       VAL  49   1.908 -11.683  -0.102
  357    HB   VAL  49           HB       VAL  49   3.419 -10.306   2.122
  358   1HG1  VAL  49          1HG1      VAL  49   1.573  -9.282   0.374
  359   2HG1  VAL  49          2HG1      VAL  49   1.937  -8.637   1.975
  360   3HG1  VAL  49          3HG1      VAL  49   0.579  -9.741   1.757
  361   1HG2  VAL  49          1HG2      VAL  49   0.807 -11.455   2.761
  362   2HG2  VAL  49          2HG2      VAL  49   2.313 -11.478   3.679
  363   3HG2  VAL  49          3HG2      VAL  49   2.044 -12.657   2.395
  364    H    ASN  50           H        ASN  50   1.980 -10.010  -1.545
  365    HA   ASN  50           HA       ASN  50   4.611  -9.286  -2.539
  366   1HB   ASN  50          2HB       ASN  50   2.107  -8.172  -3.724
  367   2HB   ASN  50          1HB       ASN  50   3.598  -8.673  -4.521
  368   1HD2  ASN  50          1HD2      ASN  50   0.476  -9.603  -3.475
  369   2HD2  ASN  50          2HD2      ASN  50   0.516 -11.233  -4.075
  370    H    LEU  51           H        LEU  51   5.366  -7.183  -2.772
  371    HA   LEU  51           HA       LEU  51   3.912  -4.936  -1.735
  372   1HB   LEU  51          2HB       LEU  51   4.579  -5.730   0.380
  373   2HB   LEU  51          1HB       LEU  51   6.167  -6.193  -0.197
  374    HG   LEU  51           HG       LEU  51   6.562  -3.665  -0.537
  375   1HD1  LEU  51          1HD1      LEU  51   3.957  -3.423   0.044
  376   2HD1  LEU  51          2HD1      LEU  51   5.141  -2.151   0.340
  377   3HD1  LEU  51          3HD1      LEU  51   4.645  -3.215   1.655
  378   1HD2  LEU  51          1HD2      LEU  51   7.298  -5.353   1.367
  379   2HD2  LEU  51          2HD2      LEU  51   6.285  -4.292   2.347
  380   3HD2  LEU  51          3HD2      LEU  51   7.654  -3.627   1.456
  381    H    ASN  52           H        ASN  52   4.871  -2.952  -2.308
  382    HA   ASN  52           HA       ASN  52   7.509  -2.923  -3.486
  383   1HB   ASN  52          2HB       ASN  52   6.968  -2.487  -5.704
  384   2HB   ASN  52          1HB       ASN  52   5.788  -3.717  -5.267
  385   1HD2  ASN  52          1HD2      ASN  52   3.872  -2.368  -3.970
  386   2HD2  ASN  52          2HD2      ASN  52   3.156  -1.178  -4.995
  387    H    CYS  53           H        CYS  53   8.462  -1.070  -2.978
  388    HA   CYS  53           HA       CYS  53   6.913   1.105  -1.889
  389   1HB   CYS  53          2HB       CYS  53   9.895   1.045  -2.336
  390   2HB   CYS  53          1HB       CYS  53   8.986   1.997  -1.169
  391    H    CYS  54           H        CYS  54   7.271   3.338  -2.563
  392    HA   CYS  54           HA       CYS  54   8.390   3.899  -5.141
  393   1HB   CYS  54          2HB       CYS  54   6.144   4.858  -5.975
  394   2HB   CYS  54          1HB       CYS  54   6.420   3.124  -6.121
  395    H    ARG  55           H        ARG  55   8.354   6.071  -5.697
  396    HA   ARG  55           HA       ARG  55   7.937   7.845  -3.403
  397   1HB   ARG  55          2HB       ARG  55   9.957   8.794  -5.189
  398   2HB   ARG  55          1HB       ARG  55  10.088   8.366  -3.492
  399   1HG   ARG  55          2HG       ARG  55  10.348   5.978  -4.229
  400   2HG   ARG  55          1HG       ARG  55  10.498   6.598  -5.880
  401   1HD   ARG  55          2HD       ARG  55  12.596   7.303  -5.542
  402   2HD   ARG  55          1HD       ARG  55  12.215   7.970  -3.955
  403    HE   ARG  55           HE       ARG  55  12.236   5.336  -3.461
  404   1HH1  ARG  55          1HH1      ARG  55  14.508   7.399  -5.126
  405   2HH1  ARG  55          2HH1      ARG  55  15.881   6.429  -4.712
  406   1HH2  ARG  55          1HH2      ARG  55  14.041   4.063  -2.914
  407   2HH2  ARG  55          2HH2      ARG  55  15.617   4.536  -3.456
  408    H    THR  56           H        THR  56   5.961   7.423  -5.391
  409    HA   THR  56           HA       THR  56   5.961  10.068  -6.685
  410    HB   THR  56           HB       THR  56   4.346   8.621  -8.328
  411    HG1  THR  56           1HG      THR  56   5.216   6.637  -8.659
  412   1HG2  THR  56          1HG2      THR  56   5.826   9.806  -9.540
  413   2HG2  THR  56          2HG2      THR  56   6.632   8.241  -9.645
  414   3HG2  THR  56          3HG2      THR  56   7.175   9.436  -8.467
  415    H    ASP  57           H        ASP  57   3.924  11.083  -6.904
  416    HA   ASP  57           HA       ASP  57   2.192  10.742  -4.712
  417   1HB   ASP  57          2HB       ASP  57   2.580  12.658  -6.726
  418   2HB   ASP  57          1HB       ASP  57   0.908  12.121  -6.912
  419    H    ARG  58           H        ARG  58   0.501   9.442  -4.402
  420    HA   ARG  58           HA       ARG  58  -1.115   7.880  -4.758
  421   1HB   ARG  58          2HB       ARG  58  -1.233   9.184  -7.485
  422   2HB   ARG  58          1HB       ARG  58  -2.435   8.063  -6.845
  423   1HG   ARG  58          2HG       ARG  58  -2.938   9.637  -5.044
  424   2HG   ARG  58          1HG       ARG  58  -1.740  10.759  -5.692
  425   1HD   ARG  58          2HD       ARG  58  -3.076  11.410  -7.396
  426   2HD   ARG  58          1HD       ARG  58  -3.780   9.806  -7.597
  427    HE   ARG  58           HE       ARG  58  -4.840  10.638  -5.260
  428   1HH1  ARG  58          1HH1      ARG  58  -4.636  12.104  -8.420
  429   2HH1  ARG  58          2HH1      ARG  58  -6.109  12.995  -8.239
  430   1HH2  ARG  58          1HH2      ARG  58  -6.776  11.810  -5.018
  431   2HH2  ARG  58          2HH2      ARG  58  -7.323  12.830  -6.306
  432    H    CYS  59           H        CYS  59   1.724   7.336  -5.453
  433    HA   CYS  59           HA       CYS  59   1.874   5.698  -7.735
  434   1HB   CYS  59          2HB       CYS  59   3.995   4.978  -6.857
  435   2HB   CYS  59          1HB       CYS  59   3.817   6.703  -6.542
  436    H    ASN  60           H        ASN  60   0.756   5.124  -4.494
  437    HA   ASN  60           HA       ASN  60   0.647   2.233  -4.963
  438   1HB   ASN  60          2HB       ASN  60   0.003   2.136  -2.540
  439   2HB   ASN  60          1HB       ASN  60   1.600   2.823  -2.839
  440   1HD2  ASN  60          1HD2      ASN  60   0.847   3.431  -0.510
  441   2HD2  ASN  60          2HD2      ASN  60   0.163   5.020  -0.370
  442    H    ASN  61           H        ASN  61  -1.108   4.033  -6.395
  443    HA   ASN  61           HA       ASN  61  -3.687   4.078  -5.239
  444   1HB   ASN  61          2HB       ASN  61  -4.429   4.545  -7.579
  445   2HB   ASN  61          1HB       ASN  61  -3.144   5.606  -7.019
  446   1HD2  ASN  61          1HD2      ASN  61  -2.033   6.100  -8.780
  447   2HD2  ASN  61          2HD2      ASN  61  -1.365   4.954  -9.901
  Start of MODEL    5
    1   1H    LEU   1          1HT       LEU   1   3.783  13.800   0.404
    2   2H    LEU   1          2HT       LEU   1   3.288  15.175  -0.495
    3   3H    LEU   1          3HT       LEU   1   4.862  14.525  -0.713
    4    HA   LEU   1           HA       LEU   1   3.219  14.008  -2.468
    5   1HB   LEU   1          2HB       LEU   1   5.370  12.761  -1.752
    6   2HB   LEU   1          1HB       LEU   1   4.279  11.571  -1.067
    7    HG   LEU   1           HG       LEU   1   4.270  12.394  -3.970
    8   1HD1  LEU   1          1HD1      LEU   1   5.270  10.105  -4.300
    9   2HD1  LEU   1          2HD1      LEU   1   5.605  10.093  -2.569
   10   3HD1  LEU   1          3HD1      LEU   1   6.344  11.317  -3.600
   11   1HD2  LEU   1          1HD2      LEU   1   3.136   9.934  -3.814
   12   2HD2  LEU   1          2HD2      LEU   1   2.237  11.451  -3.833
   13   3HD2  LEU   1          3HD2      LEU   1   2.594  10.658  -2.299
   14    H    GLU   2           H        GLU   2   1.158  13.531  -2.834
   15    HA   GLU   2           HA       GLU   2  -0.515  12.547  -0.700
   16   1HB   GLU   2          2HB       GLU   2  -0.972  13.605  -3.457
   17   2HB   GLU   2          1HB       GLU   2  -2.243  12.659  -2.693
   18   1HG   GLU   2          2HG       GLU   2  -2.458  14.210  -0.921
   19   2HG   GLU   2          1HG       GLU   2  -0.980  15.050  -1.387
   20    H    CYS   3           H        CYS   3   0.083  10.425  -0.325
   21    HA   CYS   3           HA       CYS   3  -0.087   8.535  -2.546
   22   1HB   CYS   3          2HB       CYS   3   1.081   8.445   0.215
   23   2HB   CYS   3          1HB       CYS   3   0.701   6.945  -0.629
   24    H    HIS   4           H        HIS   4  -0.920   6.254  -1.520
   25    HA   HIS   4           HA       HIS   4  -3.598   6.843  -0.440
   26   1HB   HIS   4          2HB       HIS   4  -2.805   4.578  -2.285
   27   2HB   HIS   4          1HB       HIS   4  -4.432   4.914  -1.686
   28    HD1  HIS   4           1HD      HIS   4  -5.317   7.435  -2.426
   29    HD2  HIS   4           2HD      HIS   4  -2.317   5.683  -4.707
   30    HE1  HIS   4           1HE      HIS   4  -5.338   8.665  -4.618
   31    HE2  HIS   4           2HE      HIS   4  -3.583   7.519  -6.018
   32    H    ASN   5           H        ASN   5  -4.568   5.193   0.900
   33    HA   ASN   5           HA       ASN   5  -2.963   3.052   1.935
   34   1HB   ASN   5          2HB       ASN   5  -3.052   3.944   4.311
   35   2HB   ASN   5          1HB       ASN   5  -1.898   4.734   3.234
   36   1HD2  ASN   5          1HD2      ASN   5  -2.545   6.759   2.270
   37   2HD2  ASN   5          2HD2      ASN   5  -3.608   7.815   3.147
   38    H    GLN   6           H        GLN   6  -5.296   2.754   0.737
   39    HA   GLN   6           HA       GLN   6  -7.336   2.563   2.842
   40   1HB   GLN   6          2HB       GLN   6  -8.968   2.354   1.053
   41   2HB   GLN   6          1HB       GLN   6  -7.982   3.789   0.804
   42   1HG   GLN   6          2HG       GLN   6  -6.753   1.611  -0.545
   43   2HG   GLN   6          1HG       GLN   6  -8.463   1.646  -0.975
   44   1HE2  GLN   6          1HE2      GLN   6  -8.699   2.633  -2.840
   45   2HE2  GLN   6          2HE2      GLN   6  -7.908   4.098  -3.330
   46    H    GLN   7           H        GLN   7  -8.544   0.620   3.089
   47    HA   GLN   7           HA       GLN   7  -6.943  -1.743   2.760
   48   1HB   GLN   7          2HB       GLN   7  -8.954  -2.822   3.890
   49   2HB   GLN   7          1HB       GLN   7  -8.083  -1.613   4.817
   50   1HG   GLN   7          2HG       GLN   7  -9.796  -0.112   4.733
   51   2HG   GLN   7          1HG       GLN   7 -10.411  -0.732   3.202
   52   1HE2  GLN   7          1HE2      GLN   7 -12.497  -1.030   3.789
   53   2HE2  GLN   7          2HE2      GLN   7 -13.011  -2.166   4.998
   54    H    SER   8           H        SER   8  -6.890  -2.751   0.862
   55    HA   SER   8           HA       SER   8  -7.562  -3.868  -1.001
   56   1HB   SER   8          2HB       SER   8  -9.556  -4.386   0.824
   57   2HB   SER   8          1HB       SER   8 -10.459  -3.721  -0.543
   58    HG   SER   8           HG       SER   8  -9.384  -5.282  -1.866
   59    H    SER   9           H        SER   9 -10.370  -1.739  -0.464
   60    HA   SER   9           HA       SER   9  -9.561   0.019  -2.604
   61   1HB   SER   9          2HB       SER   9 -11.401  -2.173  -3.092
   62   2HB   SER   9          1HB       SER   9 -12.161  -0.614  -3.413
   63    HG   SER   9           HG       SER   9 -10.793  -1.773  -5.119
   64    H    GLN  10           H        GLN  10 -12.249  -1.001  -0.515
   65    HA   GLN  10           HA       GLN  10 -13.661   1.394  -0.475
   66   1HB   GLN  10          2HB       GLN  10 -13.423  -0.418   1.917
   67   2HB   GLN  10          1HB       GLN  10 -14.805   0.542   1.400
   68   1HG   GLN  10          2HG       GLN  10 -15.586  -1.353   0.555
   69   2HG   GLN  10          1HG       GLN  10 -14.413  -1.107  -0.742
   70   1HE2  GLN  10          1HE2      GLN  10 -15.603  -3.474   0.871
   71   2HE2  GLN  10          2HE2      GLN  10 -14.205  -4.450   1.200
   72    H    ALA  11           H        ALA  11 -13.864   2.932   1.327
   73    HA   ALA  11           HA       ALA  11 -13.002   4.570   2.645
   74   1HB   ALA  11          1HB       ALA  11 -12.734   2.964   4.344
   75   2HB   ALA  11          2HB       ALA  11 -11.197   3.824   4.273
   76   3HB   ALA  11          3HB       ALA  11 -11.347   2.227   3.541
   77    HA   PRO  12           HA       PRO  12  -9.693   5.132  -0.711
   78   1HB   PRO  12          2HB       PRO  12 -11.217   7.709  -0.589
   79   2HB   PRO  12          1HB       PRO  12 -10.500   6.891  -1.987
   80   1HG   PRO  12          2HG       PRO  12 -13.089   6.687  -1.614
   81   2HG   PRO  12          1HG       PRO  12 -12.147   5.228  -2.011
   82   1HD   PRO  12          2HD       PRO  12 -13.215   6.122   0.647
   83   2HD   PRO  12          1HD       PRO  12 -13.196   4.492  -0.067
   84    H    THR  13           H        THR  13  -7.962   6.728  -0.715
   85    HA   THR  13           HA       THR  13  -7.703   8.518   1.530
   86    HB   THR  13           HB       THR  13  -5.320   6.919   1.581
   87    HG1  THR  13           1HG      THR  13  -7.671   5.467   2.195
   88   1HG2  THR  13          1HG2      THR  13  -5.553   7.869   3.588
   89   2HG2  THR  13          2HG2      THR  13  -6.513   6.435   3.954
   90   3HG2  THR  13          3HG2      THR  13  -7.312   7.932   3.472
   91    H    THR  14           H        THR  14  -6.852  10.287   0.685
   92    HA   THR  14           HA       THR  14  -4.742  10.011  -1.352
   93    HB   THR  14           HB       THR  14  -6.939  12.078  -1.318
   94    HG1  THR  14           1HG      THR  14  -7.698  10.046  -1.972
   95   1HG2  THR  14          1HG2      THR  14  -6.129  12.501  -3.665
   96   2HG2  THR  14          2HG2      THR  14  -4.674  11.606  -3.225
   97   3HG2  THR  14          3HG2      THR  14  -5.093  13.087  -2.365
   98    H    LYS  15           H        LYS  15  -5.390  11.044   1.692
   99    HA   LYS  15           HA       LYS  15  -4.012  13.567   1.649
  100   1HB   LYS  15          2HB       LYS  15  -5.814  12.531   3.346
  101   2HB   LYS  15          1HB       LYS  15  -4.343  12.082   4.199
  102   1HG   LYS  15          2HG       LYS  15  -4.206  14.123   5.034
  103   2HG   LYS  15          1HG       LYS  15  -4.075  14.786   3.405
  104   1HD   LYS  15          2HD       LYS  15  -5.926  15.876   4.365
  105   2HD   LYS  15          1HD       LYS  15  -6.617  14.637   3.316
  106   1HE   LYS  15          2HE       LYS  15  -6.098  14.020   6.191
  107   2HE   LYS  15          1HE       LYS  15  -7.520  14.964   5.747
  108   1HZ   LYS  15          1HZ       LYS  15  -6.901  12.158   5.190
  109   2HZ   LYS  15          2HZ       LYS  15  -7.811  13.007   4.045
  110   3HZ   LYS  15          3HZ       LYS  15  -8.369  12.872   5.636
  111    H    THR  16           H        THR  16  -2.069  13.974   2.951
  112    HA   THR  16           HA       THR  16  -0.049  11.985   2.368
  113    HB   THR  16           HB       THR  16   1.392  13.891   3.508
  114    HG1  THR  16           1HG      THR  16  -0.797  15.411   2.584
  115   1HG2  THR  16          1HG2      THR  16   2.020  13.908   1.378
  116   2HG2  THR  16          2HG2      THR  16   0.849  15.212   1.176
  117   3HG2  THR  16          3HG2      THR  16   0.392  13.550   0.801
  118    H    CYS  17           H        CYS  17   1.804  12.078   4.216
  119    HA   CYS  17           HA       CYS  17   0.464  11.243   6.706
  120   1HB   CYS  17          2HB       CYS  17   3.146  10.222   5.782
  121   2HB   CYS  17          1HB       CYS  17   2.077   9.537   7.007
  122    H    SER  18           H        SER  18   2.281  11.146   8.537
  123    HA   SER  18           HA       SER  18   2.990  13.846   9.039
  124   1HB   SER  18          2HB       SER  18   4.351  12.618  10.958
  125   2HB   SER  18          1HB       SER  18   2.592  12.725  11.014
  126    HG   SER  18           HG       SER  18   4.149  10.541  10.876
  127    H    GLY  19           H        GLY  19   5.251  11.107   9.197
  128   1HA   GLY  19          2HA       GLY  19   7.397  12.850   8.293
  129   2HA   GLY  19          1HA       GLY  19   7.566  11.196   8.881
  130    H    GLU  20           H        GLU  20   6.145  12.980   6.141
  131    HA   GLU  20           HA       GLU  20   6.058  10.840   4.353
  132   1HB   GLU  20          2HB       GLU  20   5.982  13.794   4.138
  133   2HB   GLU  20          1HB       GLU  20   6.407  12.918   2.668
  134   1HG   GLU  20          2HG       GLU  20   4.060  11.921   4.151
  135   2HG   GLU  20          1HG       GLU  20   3.892  13.497   3.377
  136    H    THR  21           H        THR  21   7.525   9.821   3.150
  137    HA   THR  21           HA       THR  21  10.015  11.042   2.393
  138    HB   THR  21           HB       THR  21  11.402   9.226   3.444
  139    HG1  THR  21           1HG      THR  21  10.526   7.912   4.907
  140   1HG2  THR  21          1HG2      THR  21  11.563  10.195   5.615
  141   2HG2  THR  21          2HG2      THR  21   9.948  10.890   5.480
  142   3HG2  THR  21          3HG2      THR  21  11.254  11.485   4.455
  143    H    ASN  22           H        ASN  22   8.347   7.943   2.773
  144    HA   ASN  22           HA       ASN  22   8.536   7.459  -0.077
  145   1HB   ASN  22          2HB       ASN  22   9.455   5.143   1.539
  146   2HB   ASN  22          1HB       ASN  22   9.925   5.643  -0.087
  147   1HD2  ASN  22          1HD2      ASN  22  10.882   5.416   3.086
  148   2HD2  ASN  22          2HD2      ASN  22  12.256   6.477   3.031
  149    H    CYS  23           H        CYS  23   7.000   5.992  -0.825
  150    HA   CYS  23           HA       CYS  23   5.015   5.154   1.161
  151   1HB   CYS  23          2HB       CYS  23   4.744   5.861  -1.765
  152   2HB   CYS  23          1HB       CYS  23   3.444   5.206  -0.779
  153    H    TYR  24           H        TYR  24   3.579   3.312  -0.110
  154    HA   TYR  24           HA       TYR  24   5.204   1.448  -1.558
  155   1HB   TYR  24          2HB       TYR  24   5.088  -0.373   0.093
  156   2HB   TYR  24          1HB       TYR  24   6.036   0.991   0.680
  157    HD1  TYR  24           1HD      TYR  24   2.972  -0.952   1.107
  158    HD2  TYR  24           2HD      TYR  24   5.203   2.389   2.505
  159    HE1  TYR  24           1HE      TYR  24   1.576  -0.874   3.130
  160    HE2  TYR  24           2HE      TYR  24   3.816   2.475   4.531
  161    HH   TYR  24           HH       TYR  24   0.908   0.763   4.845
  162    H    LYS  25           H        LYS  25   4.028  -0.740  -1.666
  163    HA   LYS  25           HA       LYS  25   1.143  -0.581  -1.510
  164   1HB   LYS  25          2HB       LYS  25   2.059   0.401  -3.789
  165   2HB   LYS  25          1HB       LYS  25   2.233  -1.305  -4.201
  166   1HG   LYS  25          2HG       LYS  25  -0.330  -1.063  -3.120
  167   2HG   LYS  25          1HG       LYS  25  -0.124   0.339  -4.170
  168   1HD   LYS  25          2HD       LYS  25   0.312  -1.008  -6.055
  169   2HD   LYS  25          1HD       LYS  25   0.564  -2.446  -5.064
  170   1HE   LYS  25          2HE       LYS  25  -1.583  -2.595  -6.144
  171   2HE   LYS  25          1HE       LYS  25  -1.818  -2.368  -4.411
  172   1HZ   LYS  25          1HZ       LYS  25  -2.643  -0.281  -4.701
  173   2HZ   LYS  25          2HZ       LYS  25  -3.154  -0.971  -6.158
  174   3HZ   LYS  25          3HZ       LYS  25  -1.774   0.008  -6.123
  175    H    LYS  26           H        LYS  26   0.491  -2.491  -0.778
  176    HA   LYS  26           HA       LYS  26   2.113  -4.859  -1.440
  177   1HB   LYS  26          2HB       LYS  26   0.827  -5.565   0.867
  178   2HB   LYS  26          1HB       LYS  26   2.465  -4.945   0.777
  179   1HG   LYS  26          2HG       LYS  26   1.776  -2.759   1.362
  180   2HG   LYS  26          1HG       LYS  26   0.074  -3.169   1.148
  181   1HD   LYS  26          2HD       LYS  26   0.193  -3.344   3.414
  182   2HD   LYS  26          1HD       LYS  26   0.687  -4.985   2.993
  183   1HE   LYS  26          2HE       LYS  26   2.920  -4.567   3.451
  184   2HE   LYS  26          1HE       LYS  26   2.735  -2.824   3.260
  185   1HZ   LYS  26          1HZ       LYS  26   1.248  -3.014   5.321
  186   2HZ   LYS  26          2HZ       LYS  26   2.923  -3.109   5.535
  187   3HZ   LYS  26          3HZ       LYS  26   1.988  -4.518   5.556
  188    H    TRP  27           H        TRP  27   1.031  -6.845  -1.721
  189    HA   TRP  27           HA       TRP  27  -1.830  -6.983  -1.628
  190   1HB   TRP  27          2HB       TRP  27  -2.125  -7.553  -4.028
  191   2HB   TRP  27          1HB       TRP  27  -1.677  -5.888  -3.766
  192    HD1  TRP  27           HD       TRP  27  -0.637  -8.960  -5.481
  193    HE1  TRP  27           1HE      TRP  27   1.480  -8.533  -6.859
  194    HE3  TRP  27           3HE      TRP  27   0.579  -4.356  -3.671
  195    HZ2  TRP  27           2HZ      TRP  27   3.427  -6.508  -7.152
  196    HZ3  TRP  27           3HZ      TRP  27   2.581  -3.234  -4.555
  197    HH2  TRP  27           HH       TRP  27   3.975  -4.288  -6.258
  198    H    TRP  28           H        TRP  28  -2.648  -9.080  -2.371
  199    HA   TRP  28           HA       TRP  28  -0.775 -11.239  -2.717
  200   1HB   TRP  28          2HB       TRP  28  -1.551 -12.453  -0.652
  201   2HB   TRP  28          1HB       TRP  28  -0.556 -11.037  -0.333
  202    HD1  TRP  28           HD       TRP  28  -4.085 -12.333   0.059
  203    HE1  TRP  28           1HE      TRP  28  -5.347 -10.752   1.609
  204    HE3  TRP  28           3HE      TRP  28  -0.631  -8.591   0.448
  205    HZ2  TRP  28           2HZ      TRP  28  -4.977  -8.256   2.865
  206    HZ3  TRP  28           3HZ      TRP  28  -1.163  -6.637   1.846
  207    HH2  TRP  28           HH       TRP  28  -3.296  -6.475   3.029
  208    H    SER  29           H        SER  29  -2.073 -13.410  -2.452
  209    HA   SER  29           HA       SER  29  -4.850 -13.102  -3.310
  210   1HB   SER  29          2HB       SER  29  -2.695 -14.499  -4.905
  211   2HB   SER  29          1HB       SER  29  -4.421 -14.785  -5.162
  212    HG   SER  29           HG       SER  29  -3.081 -12.289  -5.377
  213    H    ASP  30           H        ASP  30  -5.654 -14.096  -1.515
  214    HA   ASP  30           HA       ASP  30  -4.913 -16.925  -1.162
  215   1HB   ASP  30          2HB       ASP  30  -4.295 -15.011   0.660
  216   2HB   ASP  30          1HB       ASP  30  -5.890 -15.501   1.236
  217    H    HIS  31           H        HIS  31  -6.821 -17.453   0.860
  218    HA   HIS  31           HA       HIS  31  -9.043 -18.198  -0.589
  219   1HB   HIS  31          2HB       HIS  31 -10.167 -18.557   1.552
  220   2HB   HIS  31          1HB       HIS  31  -8.495 -19.100   1.632
  221    HD1  HIS  31           1HD      HIS  31 -10.781 -17.576   3.724
  222    HD2  HIS  31           2HD      HIS  31  -6.896 -16.583   2.635
  223    HE1  HIS  31           1HE      HIS  31  -9.935 -16.069   5.551
  224    HE2  HIS  31           2HE      HIS  31  -7.554 -15.551   4.913
  225    H    ARG  32           H        ARG  32  -8.515 -15.216   1.236
  226    HA   ARG  32           HA       ARG  32 -11.120 -14.180   0.963
  227   1HB   ARG  32          2HB       ARG  32  -8.487 -12.730   1.307
  228   2HB   ARG  32          1HB       ARG  32 -10.082 -12.027   1.551
  229   1HG   ARG  32          2HG       ARG  32 -10.432 -13.146   3.519
  230   2HG   ARG  32          1HG       ARG  32  -9.335 -14.460   3.090
  231   1HD   ARG  32          2HD       ARG  32  -8.498 -11.644   3.772
  232   2HD   ARG  32          1HD       ARG  32  -8.439 -13.015   4.877
  233    HE   ARG  32           HE       ARG  32  -6.999 -13.445   2.428
  234   1HH1  ARG  32          1HH1      ARG  32  -6.820 -12.143   5.661
  235   2HH1  ARG  32          2HH1      ARG  32  -5.098 -12.292   5.760
  236   1HH2  ARG  32          1HH2      ARG  32  -4.735 -13.642   2.556
  237   2HH2  ARG  32          2HH2      ARG  32  -3.913 -13.144   3.997
  238    H    GLY  33           H        GLY  33  -8.379 -14.294  -1.170
  239   1HA   GLY  33          2HA       GLY  33  -8.890 -14.103  -3.561
  240   2HA   GLY  33          1HA       GLY  33  -9.922 -12.734  -3.151
  241    H    THR  34           H        THR  34  -8.846 -11.312  -4.518
  242    HA   THR  34           HA       THR  34  -6.002 -10.842  -4.062
  243    HB   THR  34           HB       THR  34  -7.704  -9.283  -5.984
  244    HG1  THR  34           1HG      THR  34  -8.212 -11.313  -6.590
  245   1HG2  THR  34          1HG2      THR  34  -5.714  -8.431  -6.465
  246   2HG2  THR  34          2HG2      THR  34  -5.347  -9.989  -7.209
  247   3HG2  THR  34          3HG2      THR  34  -4.866  -9.672  -5.542
  248    H    ILE  35           H        ILE  35  -5.386  -9.443  -2.561
  249    HA   ILE  35           HA       ILE  35  -7.114  -7.110  -2.026
  250    HB   ILE  35           HB       ILE  35  -5.403  -8.545   0.004
  251   1HG1  ILE  35          2HG1      ILE  35  -7.915  -8.849   0.916
  252   2HG1  ILE  35          1HG1      ILE  35  -8.240  -8.845  -0.815
  253   1HG2  ILE  35          1HG2      ILE  35  -6.958  -6.034   0.016
  254   2HG2  ILE  35          2HG2      ILE  35  -5.518  -6.484   0.930
  255   3HG2  ILE  35          3HG2      ILE  35  -7.105  -7.057   1.446
  256   1HD1  ILE  35          1HD1      ILE  35  -7.723 -10.991  -0.849
  257   2HD1  ILE  35          2HD1      ILE  35  -7.198 -10.937   0.834
  258   3HD1  ILE  35          3HD1      ILE  35  -6.060 -10.556  -0.457
  259    H    ILE  36           H        ILE  36  -6.089  -5.140  -1.560
  260    HA   ILE  36           HA       ILE  36  -3.178  -5.031  -1.858
  261    HB   ILE  36           HB       ILE  36  -3.386  -3.118  -3.439
  262   1HG1  ILE  36          2HG1      ILE  36  -5.996  -3.802  -4.468
  263   2HG1  ILE  36          1HG1      ILE  36  -6.117  -3.317  -2.780
  264   1HG2  ILE  36          1HG2      ILE  36  -4.563  -4.919  -5.222
  265   2HG2  ILE  36          2HG2      ILE  36  -3.787  -5.913  -3.989
  266   3HG2  ILE  36          3HG2      ILE  36  -2.845  -4.718  -4.879
  267   1HD1  ILE  36          1HD1      ILE  36  -6.345  -1.300  -3.804
  268   2HD1  ILE  36          2HD1      ILE  36  -5.306  -1.743  -5.158
  269   3HD1  ILE  36          3HD1      ILE  36  -4.594  -1.333  -3.598
  270    H    GLU  37           H        GLU  37  -2.350  -3.804  -0.266
  271    HA   GLU  37           HA       GLU  37  -4.015  -1.612   0.785
  272   1HB   GLU  37          2HB       GLU  37  -2.252  -2.094   2.810
  273   2HB   GLU  37          1HB       GLU  37  -3.894  -2.730   2.733
  274   1HG   GLU  37          2HG       GLU  37  -3.142  -4.821   1.944
  275   2HG   GLU  37          1HG       GLU  37  -1.522  -4.204   1.628
  276    H    ARG  38           H        ARG  38  -2.708   0.164   1.806
  277    HA   ARG  38           HA       ARG  38  -0.038   0.480   0.670
  278   1HB   ARG  38          2HB       ARG  38  -2.188   2.559   0.250
  279   2HB   ARG  38          1HB       ARG  38  -0.531   2.623  -0.332
  280   1HG   ARG  38          2HG       ARG  38  -1.529   1.930  -2.234
  281   2HG   ARG  38          1HG       ARG  38  -1.268   0.350  -1.495
  282   1HD   ARG  38          2HD       ARG  38  -3.457  -0.007  -1.659
  283   2HD   ARG  38          1HD       ARG  38  -3.698   1.261  -0.458
  284    HE   ARG  38           HE       ARG  38  -3.482   2.634  -2.782
  285   1HH1  ARG  38          1HH1      ARG  38  -5.467  -0.048  -1.760
  286   2HH1  ARG  38          2HH1      ARG  38  -6.787   0.370  -2.799
  287   1HH2  ARG  38          1HH2      ARG  38  -5.217   3.186  -4.151
  288   2HH2  ARG  38          2HH2      ARG  38  -6.645   2.206  -4.158
  289    H    GLY  39           H        GLY  39   0.885   2.694   1.412
  290   1HA   GLY  39          2HA       GLY  39  -0.070   4.042   3.651
  291   2HA   GLY  39          1HA       GLY  39   0.885   2.693   4.244
  292    H    CYS  40           H        CYS  40   2.147   4.526   5.167
  293    HA   CYS  40           HA       CYS  40   4.009   5.664   3.190
  294   1HB   CYS  40          2HB       CYS  40   2.830   6.693   5.713
  295   2HB   CYS  40          1HB       CYS  40   4.511   7.121   5.397
  296    H    GLY  41           H        GLY  41   5.927   4.705   3.112
  297   1HA   GLY  41          2HA       GLY  41   7.909   4.448   4.783
  298   2HA   GLY  41          1HA       GLY  41   6.861   3.201   5.457
  299    H    CYS  42           H        CYS  42   8.677   1.773   4.993
  300    HA   CYS  42           HA       CYS  42   8.307   0.447   2.473
  301   1HB   CYS  42          2HB       CYS  42   9.920   2.215   1.849
  302   2HB   CYS  42          1HB       CYS  42  11.023   1.632   3.098
  303    HA   PRO  43           HA       PRO  43   9.875  -2.074   6.128
  304   1HB   PRO  43          2HB       PRO  43   7.592  -3.158   7.017
  305   2HB   PRO  43          1HB       PRO  43   8.103  -1.538   7.523
  306   1HG   PRO  43          2HG       PRO  43   6.093  -2.331   5.449
  307   2HG   PRO  43          1HG       PRO  43   5.995  -1.047   6.673
  308   1HD   PRO  43          2HD       PRO  43   6.671  -0.621   4.043
  309   2HD   PRO  43          1HD       PRO  43   7.173   0.432   5.384
  310    H    LYS  44           H        LYS  44   9.510  -4.500   6.458
  311    HA   LYS  44           HA       LYS  44   9.216  -5.739   3.813
  312   1HB   LYS  44          2HB       LYS  44  11.231  -5.955   5.679
  313   2HB   LYS  44          1HB       LYS  44  10.291  -7.414   5.962
  314   1HG   LYS  44          2HG       LYS  44  10.451  -7.498   3.287
  315   2HG   LYS  44          1HG       LYS  44  11.951  -6.642   3.652
  316   1HD   LYS  44          2HD       LYS  44  12.535  -8.451   5.247
  317   2HD   LYS  44          1HD       LYS  44  11.085  -9.320   4.741
  318   1HE   LYS  44          2HE       LYS  44  11.929  -9.433   2.461
  319   2HE   LYS  44          1HE       LYS  44  13.357  -8.511   2.928
  320   1HZ   LYS  44          1HZ       LYS  44  13.471 -10.512   4.674
  321   2HZ   LYS  44          2HZ       LYS  44  14.229 -10.555   3.163
  322   3HZ   LYS  44          3HZ       LYS  44  12.730 -11.309   3.377
  323    H    VAL  45           H        VAL  45   8.580  -8.210   4.112
  324    HA   VAL  45           HA       VAL  45   6.405  -8.498   6.040
  325    HB   VAL  45           HB       VAL  45   4.905  -9.383   4.217
  326   1HG1  VAL  45          1HG1      VAL  45   5.142  -6.891   5.231
  327   2HG1  VAL  45          2HG1      VAL  45   3.879  -7.381   4.103
  328   3HG1  VAL  45          3HG1      VAL  45   5.320  -6.557   3.507
  329   1HG2  VAL  45          1HG2      VAL  45   6.749  -9.645   2.548
  330   2HG2  VAL  45          2HG2      VAL  45   6.770  -7.890   2.380
  331   3HG2  VAL  45          3HG2      VAL  45   5.326  -8.801   1.939
  332    H    LYS  46           H        LYS  46   5.339 -10.810   5.503
  333    HA   LYS  46           HA       LYS  46   7.449 -12.675   5.908
  334   1HB   LYS  46          2HB       LYS  46   4.476 -12.744   6.038
  335   2HB   LYS  46          1HB       LYS  46   5.330 -14.269   5.878
  336   1HG   LYS  46          2HG       LYS  46   5.774 -12.241   8.058
  337   2HG   LYS  46          1HG       LYS  46   4.832 -13.725   8.209
  338   1HD   LYS  46          2HD       LYS  46   6.994 -14.907   7.436
  339   2HD   LYS  46          1HD       LYS  46   7.793 -13.393   7.867
  340   1HE   LYS  46          2HE       LYS  46   6.244 -13.845  10.063
  341   2HE   LYS  46          1HE       LYS  46   6.659 -15.489   9.579
  342   1HZ   LYS  46          1HZ       LYS  46   8.811 -13.511   9.668
  343   2HZ   LYS  46          2HZ       LYS  46   8.850 -15.165  10.020
  344   3HZ   LYS  46          3HZ       LYS  46   8.208 -14.078  11.144
  345    HA   PRO  47           HA       PRO  47   7.602 -14.443   1.876
  346   1HB   PRO  47          2HB       PRO  47   7.653 -17.164   2.469
  347   2HB   PRO  47          1HB       PRO  47   9.032 -16.083   2.468
  348   1HG   PRO  47          2HG       PRO  47   7.777 -17.348   4.671
  349   2HG   PRO  47          1HG       PRO  47   9.228 -16.351   4.656
  350   1HD   PRO  47          2HD       PRO  47   6.554 -15.670   5.517
  351   2HD   PRO  47          1HD       PRO  47   8.062 -14.753   5.695
  352    H    GLY  48           H        GLY  48   5.529 -13.833   1.133
  353   1HA   GLY  48          2HA       GLY  48   3.979 -15.727  -0.064
  354   2HA   GLY  48          1HA       GLY  48   3.248 -15.546   1.531
  355    H    VAL  49           H        VAL  49   3.987 -12.695   1.665
  356    HA   VAL  49           HA       VAL  49   1.814 -11.674  -0.025
  357    HB   VAL  49           HB       VAL  49   3.119 -10.367   2.369
  358   1HG1  VAL  49          1HG1      VAL  49   0.630  -9.272   2.072
  359   2HG1  VAL  49          2HG1      VAL  49   1.149  -9.484   0.400
  360   3HG1  VAL  49          3HG1      VAL  49   2.138  -8.544   1.517
  361   1HG2  VAL  49          1HG2      VAL  49   0.908 -12.308   2.121
  362   2HG2  VAL  49          2HG2      VAL  49   0.631 -10.941   3.199
  363   3HG2  VAL  49          3HG2      VAL  49   2.011 -12.007   3.463
  364    H    ASN  50           H        ASN  50   2.124 -10.036  -1.473
  365    HA   ASN  50           HA       ASN  50   4.898  -9.391  -2.111
  366   1HB   ASN  50          2HB       ASN  50   2.641  -8.357  -3.763
  367   2HB   ASN  50          1HB       ASN  50   4.221  -8.960  -4.266
  368   1HD2  ASN  50          1HD2      ASN  50   0.937  -9.695  -3.760
  369   2HD2  ASN  50          2HD2      ASN  50   1.007 -11.377  -4.184
  370    H    LEU  51           H        LEU  51   5.674  -7.286  -2.322
  371    HA   LEU  51           HA       LEU  51   4.041  -5.016  -1.683
  372   1HB   LEU  51          2HB       LEU  51   4.381  -5.783   0.555
  373   2HB   LEU  51          1HB       LEU  51   6.089  -6.049   0.269
  374    HG   LEU  51           HG       LEU  51   6.175  -3.483  -0.139
  375   1HD1  LEU  51          1HD1      LEU  51   4.494  -2.167   0.716
  376   2HD1  LEU  51          2HD1      LEU  51   3.856  -3.456   1.736
  377   3HD1  LEU  51          3HD1      LEU  51   3.576  -3.488  -0.006
  378   1HD2  LEU  51          1HD2      LEU  51   7.037  -3.293   1.946
  379   2HD2  LEU  51          2HD2      LEU  51   6.877  -5.049   1.901
  380   3HD2  LEU  51          3HD2      LEU  51   5.651  -4.072   2.711
  381    H    ASN  52           H        ASN  52   5.040  -3.056  -2.221
  382    HA   ASN  52           HA       ASN  52   7.845  -3.053  -2.950
  383   1HB   ASN  52          2HB       ASN  52   7.655  -2.732  -5.230
  384   2HB   ASN  52          1HB       ASN  52   6.350  -3.875  -4.941
  385   1HD2  ASN  52          1HD2      ASN  52   4.315  -2.426  -4.055
  386   2HD2  ASN  52          2HD2      ASN  52   3.850  -1.223  -5.203
  387    H    CYS  53           H        CYS  53   8.741  -1.179  -2.419
  388    HA   CYS  53           HA       CYS  53   7.069   1.026  -1.589
  389   1HB   CYS  53          2HB       CYS  53  10.062   1.123  -1.628
  390   2HB   CYS  53          1HB       CYS  53   8.933   1.845  -0.487
  391    H    CYS  54           H        CYS  54   7.319   3.178  -2.340
  392    HA   CYS  54           HA       CYS  54   8.875   3.773  -4.676
  393   1HB   CYS  54          2HB       CYS  54   6.746   4.502  -5.956
  394   2HB   CYS  54          1HB       CYS  54   7.206   2.801  -5.984
  395    H    ARG  55           H        ARG  55   8.763   5.913  -5.330
  396    HA   ARG  55           HA       ARG  55   7.767   7.712  -3.245
  397   1HB   ARG  55          2HB       ARG  55   9.987   8.795  -4.686
  398   2HB   ARG  55          1HB       ARG  55   9.841   8.443  -2.973
  399   1HG   ARG  55          2HG       ARG  55  10.633   6.206  -3.314
  400   2HG   ARG  55          1HG       ARG  55  10.647   6.441  -5.064
  401   1HD   ARG  55          2HD       ARG  55  12.310   8.003  -3.091
  402   2HD   ARG  55          1HD       ARG  55  12.889   6.629  -4.034
  403    HE   ARG  55           HE       ARG  55  11.790   8.502  -5.786
  404   1HH1  ARG  55          1HH1      ARG  55  14.521   8.176  -3.640
  405   2HH1  ARG  55          2HH1      ARG  55  15.532   9.238  -4.561
  406   1HH2  ARG  55          1HH2      ARG  55  13.120   9.901  -7.001
  407   2HH2  ARG  55          2HH2      ARG  55  14.736  10.217  -6.469
  408    H    THR  56           H        THR  56   6.296   6.987  -5.590
  409    HA   THR  56           HA       THR  56   6.379   9.511  -7.109
  410    HB   THR  56           HB       THR  56   4.866   7.318  -8.328
  411    HG1  THR  56           1HG      THR  56   6.500   6.053  -7.458
  412   1HG2  THR  56          1HG2      THR  56   5.441   9.335  -9.559
  413   2HG2  THR  56          2HG2      THR  56   6.152   7.902 -10.303
  414   3HG2  THR  56          3HG2      THR  56   7.155   8.987  -9.340
  415    H    ASP  57           H        ASP  57   4.348  10.424  -7.762
  416    HA   ASP  57           HA       ASP  57   2.443  10.516  -5.695
  417   1HB   ASP  57          2HB       ASP  57   2.786  11.727  -8.352
  418   2HB   ASP  57          1HB       ASP  57   1.100  11.532  -7.862
  419    H    ARG  58           H        ARG  58   0.894   9.126  -5.193
  420    HA   ARG  58           HA       ARG  58  -0.635   7.446  -5.319
  421   1HB   ARG  58          2HB       ARG  58  -0.919   8.429  -8.167
  422   2HB   ARG  58          1HB       ARG  58  -2.060   7.379  -7.327
  423   1HG   ARG  58          2HG       ARG  58  -2.469   9.172  -5.693
  424   2HG   ARG  58          1HG       ARG  58  -1.377  10.221  -6.599
  425   1HD   ARG  58          2HD       ARG  58  -2.972   9.521  -8.598
  426   2HD   ARG  58          1HD       ARG  58  -4.112   9.275  -7.274
  427    HE   ARG  58           HE       ARG  58  -4.250  11.544  -7.019
  428   1HH1  ARG  58          1HH1      ARG  58  -1.441  10.799  -8.951
  429   2HH1  ARG  58          2HH1      ARG  58  -1.116  12.455  -9.342
  430   1HH2  ARG  58          1HH2      ARG  58  -3.824  13.722  -7.532
  431   2HH2  ARG  58          2HH2      ARG  58  -2.469  14.114  -8.535
  432    H    CYS  59           H        CYS  59   2.151   6.866  -5.941
  433    HA   CYS  59           HA       CYS  59   2.401   5.095  -8.103
  434   1HB   CYS  59          2HB       CYS  59   4.484   4.453  -7.122
  435   2HB   CYS  59          1HB       CYS  59   4.274   6.177  -6.823
  436    H    ASN  60           H        ASN  60   1.049   4.702  -4.937
  437    HA   ASN  60           HA       ASN  60   0.971   1.787  -5.263
  438   1HB   ASN  60          2HB       ASN  60   0.322   1.736  -2.880
  439   2HB   ASN  60          1HB       ASN  60   1.857   2.571  -3.132
  440   1HD2  ASN  60          1HD2      ASN  60   1.587   3.613  -1.134
  441   2HD2  ASN  60          2HD2      ASN  60   0.500   4.957  -0.959
  442    H    ASN  61           H        ASN  61  -0.807   4.018  -6.503
  443    HA   ASN  61           HA       ASN  61  -3.399   3.708  -5.454
  444   1HB   ASN  61          2HB       ASN  61  -4.144   4.725  -7.540
  445   2HB   ASN  61          1HB       ASN  61  -2.731   5.568  -6.926
  446   1HD2  ASN  61          1HD2      ASN  61  -3.634   5.678  -9.581
  447   2HD2  ASN  61          2HD2      ASN  61  -2.420   4.958 -10.593
  Start of MODEL    6
    1   1H    LEU   1          1HT       LEU   1   3.961  14.981   0.284
    2   2H    LEU   1          2HT       LEU   1   5.384  14.022   0.257
    3   3H    LEU   1          3HT       LEU   1   4.110  13.642   1.343
    4    HA   LEU   1           HA       LEU   1   4.109  13.439  -1.590
    5   1HB   LEU   1          2HB       LEU   1   4.768  11.696   0.553
    6   2HB   LEU   1          1HB       LEU   1   3.288  11.110  -0.181
    7    HG   LEU   1           HG       LEU   1   5.206  10.051  -1.194
    8   1HD1  LEU   1          1HD1      LEU   1   3.334  10.366  -2.641
    9   2HD1  LEU   1          2HD1      LEU   1   4.812  10.651  -3.560
   10   3HD1  LEU   1          3HD1      LEU   1   3.842  12.016  -3.007
   11   1HD2  LEU   1          1HD2      LEU   1   7.083  11.289  -1.144
   12   2HD2  LEU   1          2HD2      LEU   1   6.203  12.809  -1.297
   13   3HD2  LEU   1          3HD2      LEU   1   6.529  11.832  -2.728
   14    H    GLU   2           H        GLU   2   2.087  11.655  -1.799
   15    HA   GLU   2           HA       GLU   2  -0.266  12.508  -0.400
   16   1HB   GLU   2          2HB       GLU   2   0.455  13.809  -2.882
   17   2HB   GLU   2          1HB       GLU   2  -1.078  12.964  -3.046
   18   1HG   GLU   2          2HG       GLU   2  -1.998  14.157  -1.182
   19   2HG   GLU   2          1HG       GLU   2  -0.440  14.912  -0.848
   20    H    CYS   3           H        CYS   3   0.830  10.064  -0.513
   21    HA   CYS   3           HA       CYS   3  -0.341   8.474  -2.605
   22   1HB   CYS   3          2HB       CYS   3   1.138   7.717  -0.079
   23   2HB   CYS   3          1HB       CYS   3   0.643   6.584  -1.335
   24    H    HIS   4           H        HIS   4  -1.309   6.267  -1.562
   25    HA   HIS   4           HA       HIS   4  -3.727   7.161  -0.183
   26   1HB   HIS   4          2HB       HIS   4  -3.122   4.533  -1.561
   27   2HB   HIS   4          1HB       HIS   4  -4.684   5.010  -0.890
   28    HD1  HIS   4           1HD      HIS   4  -6.016   6.839  -2.187
   29    HD2  HIS   4           2HD      HIS   4  -2.515   5.600  -4.057
   30    HE1  HIS   4           1HE      HIS   4  -6.167   7.708  -4.542
   31    HE2  HIS   4           2HE      HIS   4  -4.056   6.918  -5.665
   32    H    ASN   5           H        ASN   5  -4.653   5.038   1.110
   33    HA   ASN   5           HA       ASN   5  -2.786   3.572   2.636
   34   1HB   ASN   5          2HB       ASN   5  -3.243   4.750   4.840
   35   2HB   ASN   5          1HB       ASN   5  -2.173   5.596   3.719
   36   1HD2  ASN   5          1HD2      ASN   5  -5.266   5.564   5.270
   37   2HD2  ASN   5          2HD2      ASN   5  -5.747   7.168   4.810
   38    H    GLN   6           H        GLN   6  -5.237   3.113   1.249
   39    HA   GLN   6           HA       GLN   6  -6.844   2.063   3.476
   40   1HB   GLN   6          2HB       GLN   6  -8.893   2.634   2.403
   41   2HB   GLN   6          1HB       GLN   6  -7.905   4.088   2.419
   42   1HG   GLN   6          2HG       GLN   6  -8.128   2.248   0.050
   43   2HG   GLN   6          1HG       GLN   6  -9.147   3.665   0.296
   44   1HE2  GLN   6          1HE2      GLN   6  -7.613   3.426  -1.948
   45   2HE2  GLN   6          2HE2      GLN   6  -6.325   4.590  -1.905
   46    H    GLN   7           H        GLN   7  -7.574   0.001   3.249
   47    HA   GLN   7           HA       GLN   7  -6.671  -1.434   0.856
   48   1HB   GLN   7          2HB       GLN   7  -7.277  -3.436   2.505
   49   2HB   GLN   7          1HB       GLN   7  -5.717  -2.632   2.547
   50   1HG   GLN   7          2HG       GLN   7  -6.458  -1.255   4.405
   51   2HG   GLN   7          1HG       GLN   7  -8.053  -2.003   4.340
   52   1HE2  GLN   7          1HE2      GLN   7  -4.840  -2.252   5.465
   53   2HE2  GLN   7          2HE2      GLN   7  -5.001  -3.774   6.285
   54    H    SER   8           H        SER   8  -8.061  -2.541  -0.425
   55    HA   SER   8           HA       SER   8 -10.030  -3.121  -1.409
   56   1HB   SER   8          2HB       SER   8 -11.187  -3.405   1.362
   57   2HB   SER   8          1HB       SER   8 -11.588  -4.322  -0.095
   58    HG   SER   8           HG       SER   8  -9.109  -4.403   1.290
   59    H    SER   9           H        SER   9 -12.664  -2.713  -0.873
   60    HA   SER   9           HA       SER   9 -14.333  -1.174  -0.970
   61   1HB   SER   9          2HB       SER   9 -12.462  -0.038   1.015
   62   2HB   SER   9          1HB       SER   9 -13.578   1.117   0.286
   63    HG   SER   9           HG       SER   9 -14.258  -0.126   2.255
   64    H    GLN  10           H        GLN  10 -14.482  -0.656  -3.077
   65    HA   GLN  10           HA       GLN  10 -12.665   0.597  -4.700
   66   1HB   GLN  10          2HB       GLN  10 -15.632   1.074  -4.929
   67   2HB   GLN  10          1HB       GLN  10 -14.437   0.991  -6.221
   68   1HG   GLN  10          2HG       GLN  10 -15.160  -1.090  -6.498
   69   2HG   GLN  10          1HG       GLN  10 -14.184  -1.465  -5.074
   70   1HE2  GLN  10          1HE2      GLN  10 -15.198  -2.555  -3.565
   71   2HE2  GLN  10          2HE2      GLN  10 -16.905  -2.530  -3.249
   72    H    ALA  11           H        ALA  11 -13.140   2.821  -5.796
   73    HA   ALA  11           HA       ALA  11 -13.048   5.088  -5.656
   74   1HB   ALA  11          1HB       ALA  11 -15.064   4.402  -3.579
   75   2HB   ALA  11          2HB       ALA  11 -15.237   5.358  -5.050
   76   3HB   ALA  11          3HB       ALA  11 -14.445   6.053  -3.636
   77    HA   PRO  12           HA       PRO  12  -9.610   4.344  -2.474
   78   1HB   PRO  12          2HB       PRO  12  -8.360   5.839  -4.751
   79   2HB   PRO  12          1HB       PRO  12  -7.665   4.583  -3.714
   80   1HG   PRO  12          2HG       PRO  12  -8.478   3.912  -6.117
   81   2HG   PRO  12          1HG       PRO  12  -8.914   2.884  -4.729
   82   1HD   PRO  12          2HD       PRO  12 -10.601   4.873  -6.211
   83   2HD   PRO  12          1HD       PRO  12 -11.037   3.260  -5.600
   84    H    THR  13           H        THR  13  -8.187   6.054  -1.520
   85    HA   THR  13           HA       THR  13  -9.009   8.803  -1.889
   86    HB   THR  13           HB       THR  13  -9.265   8.746   0.809
   87    HG1  THR  13           1HG      THR  13 -10.084   6.917   1.499
   88   1HG2  THR  13          1HG2      THR  13 -11.311   8.509  -1.345
   89   2HG2  THR  13          2HG2      THR  13 -10.937   9.872  -0.290
   90   3HG2  THR  13          3HG2      THR  13 -11.799   8.473   0.350
   91    H    THR  14           H        THR  14  -7.331  10.130  -1.561
   92    HA   THR  14           HA       THR  14  -4.894   8.981  -0.425
   93    HB   THR  14           HB       THR  14  -4.418   9.930  -2.509
   94    HG1  THR  14           1HG      THR  14  -2.894  10.695  -1.114
   95   1HG2  THR  14          1HG2      THR  14  -5.051  12.547  -2.671
   96   2HG2  THR  14          2HG2      THR  14  -6.450  11.918  -1.800
   97   3HG2  THR  14          3HG2      THR  14  -6.010  11.243  -3.369
   98    H    LYS  15           H        LYS  15  -3.480  10.532   0.820
   99    HA   LYS  15           HA       LYS  15  -4.875  12.529   2.384
  100   1HB   LYS  15          2HB       LYS  15  -4.521   9.839   3.338
  101   2HB   LYS  15          1HB       LYS  15  -3.581  10.943   4.329
  102   1HG   LYS  15          2HG       LYS  15  -6.332  11.803   3.743
  103   2HG   LYS  15          1HG       LYS  15  -6.176  10.363   4.751
  104   1HD   LYS  15          2HD       LYS  15  -4.799  12.995   5.280
  105   2HD   LYS  15          1HD       LYS  15  -6.291  12.465   6.057
  106   1HE   LYS  15          2HE       LYS  15  -5.213  11.071   7.448
  107   2HE   LYS  15          1HE       LYS  15  -4.111  10.514   6.190
  108   1HZ   LYS  15          1HZ       LYS  15  -3.706  13.236   7.122
  109   2HZ   LYS  15          2HZ       LYS  15  -2.571  12.041   6.742
  110   3HZ   LYS  15          3HZ       LYS  15  -3.352  12.018   8.242
  111    H    THR  16           H        THR  16  -3.043  12.839   4.427
  112    HA   THR  16           HA       THR  16  -0.517  13.342   2.996
  113    HB   THR  16           HB       THR  16  -1.734  15.127   5.110
  114    HG1  THR  16           1HG      THR  16  -2.161  16.521   3.343
  115   1HG2  THR  16          1HG2      THR  16   0.190  16.272   3.256
  116   2HG2  THR  16          2HG2      THR  16   0.872  15.021   4.295
  117   3HG2  THR  16          3HG2      THR  16   0.070  16.419   5.009
  118    H    CYS  17           H        CYS  17   1.266  12.576   3.939
  119    HA   CYS  17           HA       CYS  17   1.018  11.237   6.503
  120   1HB   CYS  17          2HB       CYS  17   3.250  11.355   4.469
  121   2HB   CYS  17          1HB       CYS  17   3.373  10.484   5.999
  122    H    SER  18           H        SER  18   3.307  11.395   7.766
  123    HA   SER  18           HA       SER  18   3.326  14.062   8.819
  124   1HB   SER  18          2HB       SER  18   5.372  12.929  10.120
  125   2HB   SER  18          1HB       SER  18   3.694  12.597  10.544
  126    HG   SER  18           HG       SER  18   5.261  10.761  10.133
  127    H    GLY  19           H        GLY  19   5.748  12.014   7.192
  128   1HA   GLY  19          2HA       GLY  19   6.816  13.961   5.553
  129   2HA   GLY  19          1HA       GLY  19   7.709  14.085   7.068
  130    H    GLU  20           H        GLU  20   6.508  11.408   5.034
  131    HA   GLU  20           HA       GLU  20   8.915   9.894   5.550
  132   1HB   GLU  20          2HB       GLU  20   6.257   9.374   4.412
  133   2HB   GLU  20          1HB       GLU  20   7.562   8.494   3.618
  134   1HG   GLU  20          2HG       GLU  20   7.023   8.471   6.580
  135   2HG   GLU  20          1HG       GLU  20   6.495   7.231   5.443
  136    H    THR  21           H        THR  21   9.677   8.641   3.397
  137    HA   THR  21           HA       THR  21  10.446  10.769   1.513
  138    HB   THR  21           HB       THR  21  12.267   8.813   1.053
  139    HG1  THR  21           1HG      THR  21  11.631   7.470   2.692
  140   1HG2  THR  21          1HG2      THR  21  12.259  11.307   2.477
  141   2HG2  THR  21          2HG2      THR  21  13.533  10.565   1.509
  142   3HG2  THR  21          3HG2      THR  21  13.376  10.161   3.219
  143    H    ASN  22           H        ASN  22   9.242   7.491   1.812
  144    HA   ASN  22           HA       ASN  22   8.222   7.624  -0.899
  145   1HB   ASN  22          2HB       ASN  22   9.562   5.046  -0.393
  146   2HB   ASN  22          1HB       ASN  22   9.474   6.005  -1.872
  147   1HD2  ASN  22          1HD2      ASN  22  11.255   5.313   1.002
  148   2HD2  ASN  22          2HD2      ASN  22  12.666   6.244   0.607
  149    H    CYS  23           H        CYS  23   6.420   6.358  -1.224
  150    HA   CYS  23           HA       CYS  23   5.192   5.274   1.163
  151   1HB   CYS  23          2HB       CYS  23   3.984   5.366  -1.595
  152   2HB   CYS  23          1HB       CYS  23   3.168   5.365  -0.036
  153    H    TYR  24           H        TYR  24   3.536   3.344   0.058
  154    HA   TYR  24           HA       TYR  24   5.082   1.436  -1.419
  155   1HB   TYR  24          2HB       TYR  24   5.037  -0.319   0.343
  156   2HB   TYR  24          1HB       TYR  24   6.095   1.037   0.726
  157    HD1  TYR  24           1HD      TYR  24   2.806  -0.488   1.468
  158    HD2  TYR  24           2HD      TYR  24   5.741   2.342   2.676
  159    HE1  TYR  24           1HE      TYR  24   1.650  -0.216   3.621
  160    HE2  TYR  24           2HE      TYR  24   4.595   2.622   4.833
  161    HH   TYR  24           HH       TYR  24   2.572   2.249   5.911
  162    H    LYS  25           H        LYS  25   3.931  -0.714  -1.477
  163    HA   LYS  25           HA       LYS  25   1.082  -0.646  -1.019
  164   1HB   LYS  25          2HB       LYS  25   1.673   0.491  -3.314
  165   2HB   LYS  25          1HB       LYS  25   1.906  -1.170  -3.852
  166   1HG   LYS  25          2HG       LYS  25  -0.443  -1.576  -2.865
  167   2HG   LYS  25          1HG       LYS  25  -0.598   0.180  -2.935
  168   1HD   LYS  25          2HD       LYS  25  -0.837   0.179  -5.164
  169   2HD   LYS  25          1HD       LYS  25   0.463  -0.993  -5.391
  170   1HE   LYS  25          2HE       LYS  25  -0.954  -2.747  -5.436
  171   2HE   LYS  25          1HE       LYS  25  -2.003  -2.063  -4.193
  172   1HZ   LYS  25          1HZ       LYS  25  -1.957  -0.922  -6.913
  173   2HZ   LYS  25          2HZ       LYS  25  -3.177  -0.836  -5.745
  174   3HZ   LYS  25          3HZ       LYS  25  -2.897  -2.286  -6.569
  175    H    LYS  26           H        LYS  26   0.701  -2.569  -0.179
  176    HA   LYS  26           HA       LYS  26   2.236  -4.868  -1.189
  177   1HB   LYS  26          2HB       LYS  26   1.243  -5.721   1.207
  178   2HB   LYS  26          1HB       LYS  26   2.844  -5.056   0.962
  179   1HG   LYS  26          2HG       LYS  26   2.096  -2.870   1.655
  180   2HG   LYS  26          1HG       LYS  26   0.440  -3.458   1.800
  181   1HD   LYS  26          2HD       LYS  26   0.878  -4.630   3.723
  182   2HD   LYS  26          1HD       LYS  26   2.580  -4.861   3.320
  183   1HE   LYS  26          2HE       LYS  26   3.040  -3.205   4.732
  184   2HE   LYS  26          1HE       LYS  26   2.290  -2.109   3.573
  185   1HZ   LYS  26          1HZ       LYS  26   1.480  -2.322   6.077
  186   2HZ   LYS  26          2HZ       LYS  26   0.497  -3.514   5.389
  187   3HZ   LYS  26          3HZ       LYS  26   0.428  -1.925   4.812
  188    H    TRP  27           H        TRP  27   1.184  -6.872  -1.415
  189    HA   TRP  27           HA       TRP  27  -1.648  -7.072  -1.022
  190   1HB   TRP  27          2HB       TRP  27  -2.185  -7.587  -3.393
  191   2HB   TRP  27          1HB       TRP  27  -1.744  -5.922  -3.129
  192    HD1  TRP  27           HD       TRP  27  -0.759  -8.959  -4.966
  193    HE1  TRP  27           1HE      TRP  27   1.164  -8.421  -6.572
  194    HE3  TRP  27           3HE      TRP  27   0.368  -4.278  -3.315
  195    HZ2  TRP  27           2HZ      TRP  27   2.940  -6.284  -7.086
  196    HZ3  TRP  27           3HZ      TRP  27   2.187  -3.042  -4.419
  197    HH2  TRP  27           HH       TRP  27   3.448  -4.026  -6.263
  198    H    TRP  28           H        TRP  28  -2.502  -9.169  -1.765
  199    HA   TRP  28           HA       TRP  28  -0.623 -11.282  -2.310
  200   1HB   TRP  28          2HB       TRP  28  -1.214 -12.548  -0.213
  201   2HB   TRP  28          1HB       TRP  28  -0.223 -11.118   0.055
  202    HD1  TRP  28           HD       TRP  28  -3.690 -12.487   0.688
  203    HE1  TRP  28           1HE      TRP  28  -4.861 -10.957   2.359
  204    HE3  TRP  28           3HE      TRP  28  -0.281  -8.682   0.889
  205    HZ2  TRP  28           2HZ      TRP  28  -4.440  -8.477   3.628
  206    HZ3  TRP  28           3HZ      TRP  28  -0.744  -6.765   2.361
  207    HH2  TRP  28           HH       TRP  28  -2.784  -6.667   3.701
  208    H    SER  29           H        SER  29  -1.870 -13.482  -1.974
  209    HA   SER  29           HA       SER  29  -4.657 -13.124  -2.852
  210   1HB   SER  29          2HB       SER  29  -2.432 -14.573  -4.185
  211   2HB   SER  29          1HB       SER  29  -4.013 -15.366  -4.192
  212    HG   SER  29           HG       SER  29  -3.621 -12.676  -4.993
  213    H    ASP  30           H        ASP  30  -5.579 -13.710  -0.926
  214    HA   ASP  30           HA       ASP  30  -4.770 -16.205   0.343
  215   1HB   ASP  30          2HB       ASP  30  -5.569 -13.835   1.403
  216   2HB   ASP  30          1HB       ASP  30  -7.087 -14.734   1.433
  217    H    HIS  31           H        HIS  31  -7.245 -16.936   1.459
  218    HA   HIS  31           HA       HIS  31  -8.313 -18.504  -0.665
  219   1HB   HIS  31          2HB       HIS  31 -10.006 -19.184   1.104
  220   2HB   HIS  31          1HB       HIS  31  -8.318 -19.497   1.491
  221    HD1  HIS  31           1HD      HIS  31 -11.036 -16.966   2.262
  222    HD2  HIS  31           2HD      HIS  31  -7.479 -18.415   3.847
  223    HE1  HIS  31           1HE      HIS  31 -10.831 -15.905   4.532
  224    HE2  HIS  31           2HE      HIS  31  -8.628 -16.728   5.437
  225    H    ARG  32           H        ARG  32  -9.499 -15.713   1.169
  226    HA   ARG  32           HA       ARG  32 -12.053 -15.595  -0.011
  227   1HB   ARG  32          2HB       ARG  32 -10.333 -13.724   1.540
  228   2HB   ARG  32          1HB       ARG  32 -11.685 -13.033   0.642
  229   1HG   ARG  32          2HG       ARG  32 -12.879 -15.133   1.894
  230   2HG   ARG  32          1HG       ARG  32 -11.668 -14.648   3.083
  231   1HD   ARG  32          2HD       ARG  32 -13.509 -12.672   1.765
  232   2HD   ARG  32          1HD       ARG  32 -13.959 -13.540   3.231
  233    HE   ARG  32           HE       ARG  32 -11.422 -12.202   3.413
  234   1HH1  ARG  32          1HH1      ARG  32 -14.874 -11.852   3.787
  235   2HH1  ARG  32          2HH1      ARG  32 -14.747 -10.526   4.894
  236   1HH2  ARG  32          1HH2      ARG  32 -11.253 -10.460   4.870
  237   2HH2  ARG  32          2HH2      ARG  32 -12.691  -9.736   5.509
  238    H    GLY  33           H        GLY  33  -8.921 -14.460  -1.050
  239   1HA   GLY  33          2HA       GLY  33  -9.226 -14.350  -3.690
  240   2HA   GLY  33          1HA       GLY  33 -10.065 -12.875  -3.213
  241    H    THR  34           H        THR  34  -8.854 -11.128  -3.418
  242    HA   THR  34           HA       THR  34  -6.002 -11.301  -2.713
  243    HB   THR  34           HB       THR  34  -7.076  -9.637  -4.992
  244    HG1  THR  34           1HG      THR  34  -5.775 -12.153  -5.114
  245   1HG2  THR  34          1HG2      THR  34  -4.728  -9.318  -3.743
  246   2HG2  THR  34          2HG2      THR  34  -4.971  -9.013  -5.463
  247   3HG2  THR  34          3HG2      THR  34  -4.279 -10.544  -4.927
  248    H    ILE  35           H        ILE  35  -5.157  -9.587  -1.604
  249    HA   ILE  35           HA       ILE  35  -6.958  -7.319  -1.053
  250    HB   ILE  35           HB       ILE  35  -5.191  -8.586   1.035
  251   1HG1  ILE  35          2HG1      ILE  35  -8.177  -8.895   0.657
  252   2HG1  ILE  35          1HG1      ILE  35  -6.977 -10.149   0.361
  253   1HG2  ILE  35          1HG2      ILE  35  -7.064  -7.229   2.391
  254   2HG2  ILE  35          2HG2      ILE  35  -6.987  -6.248   0.926
  255   3HG2  ILE  35          3HG2      ILE  35  -5.530  -6.520   1.883
  256   1HD1  ILE  35          1HD1      ILE  35  -8.018  -9.081   2.922
  257   2HD1  ILE  35          2HD1      ILE  35  -6.349  -9.648   2.870
  258   3HD1  ILE  35          3HD1      ILE  35  -7.666 -10.741   2.442
  259    H    ILE  36           H        ILE  36  -5.933  -5.325  -0.574
  260    HA   ILE  36           HA       ILE  36  -3.029  -5.223  -0.948
  261    HB   ILE  36           HB       ILE  36  -3.153  -3.455  -2.589
  262   1HG1  ILE  36          2HG1      ILE  36  -6.156  -3.773  -2.368
  263   2HG1  ILE  36          1HG1      ILE  36  -5.215  -2.367  -1.884
  264   1HG2  ILE  36          1HG2      ILE  36  -5.020  -5.252  -3.930
  265   2HG2  ILE  36          2HG2      ILE  36  -3.727  -6.089  -3.073
  266   3HG2  ILE  36          3HG2      ILE  36  -3.336  -4.883  -4.299
  267   1HD1  ILE  36          1HD1      ILE  36  -6.236  -1.848  -3.949
  268   2HD1  ILE  36          2HD1      ILE  36  -5.720  -3.374  -4.666
  269   3HD1  ILE  36          3HD1      ILE  36  -4.528  -2.131  -4.284
  270    H    GLU  37           H        GLU  37  -2.054  -3.830   0.433
  271    HA   GLU  37           HA       GLU  37  -3.715  -1.724   1.646
  272   1HB   GLU  37          2HB       GLU  37  -1.843  -2.217   3.575
  273   2HB   GLU  37          1HB       GLU  37  -3.490  -2.844   3.582
  274   1HG   GLU  37          2HG       GLU  37  -2.792  -4.931   2.738
  275   2HG   GLU  37          1HG       GLU  37  -1.189  -4.321   2.338
  276    H    ARG  38           H        ARG  38  -2.410   0.073   2.583
  277    HA   ARG  38           HA       ARG  38   0.223   0.433   1.383
  278   1HB   ARG  38          2HB       ARG  38  -2.016   2.408   0.921
  279   2HB   ARG  38          1HB       ARG  38  -0.357   2.564   0.362
  280   1HG   ARG  38          2HG       ARG  38  -1.317   1.800  -1.543
  281   2HG   ARG  38          1HG       ARG  38  -0.914   0.253  -0.796
  282   1HD   ARG  38          2HD       ARG  38  -3.070  -0.254  -1.104
  283   2HD   ARG  38          1HD       ARG  38  -3.373   0.801   0.275
  284    HE   ARG  38           HE       ARG  38  -3.391   2.522  -1.796
  285   1HH1  ARG  38          1HH1      ARG  38  -5.031  -0.509  -1.242
  286   2HH1  ARG  38          2HH1      ARG  38  -6.406  -0.084  -2.205
  287   1HH2  ARG  38          1HH2      ARG  38  -5.199   3.082  -3.060
  288   2HH2  ARG  38          2HH2      ARG  38  -6.501   1.954  -3.237
  289    H    GLY  39           H        GLY  39   0.814   2.956   1.934
  290   1HA   GLY  39          2HA       GLY  39  -0.107   4.138   4.269
  291   2HA   GLY  39          1HA       GLY  39   1.118   2.978   4.757
  292    H    CYS  40           H        CYS  40   2.910   4.077   5.230
  293    HA   CYS  40           HA       CYS  40   4.098   5.749   3.170
  294   1HB   CYS  40          2HB       CYS  40   2.776   6.859   5.460
  295   2HB   CYS  40          1HB       CYS  40   4.508   7.179   5.588
  296    H    GLY  41           H        GLY  41   6.022   4.832   2.912
  297   1HA   GLY  41          2HA       GLY  41   8.219   4.928   4.346
  298   2HA   GLY  41          1HA       GLY  41   7.383   3.645   5.220
  299    H    CYS  42           H        CYS  42   9.009   2.137   4.693
  300    HA   CYS  42           HA       CYS  42   8.570   0.813   2.185
  301   1HB   CYS  42          2HB       CYS  42  10.206   2.560   1.538
  302   2HB   CYS  42          1HB       CYS  42  11.330   1.922   2.742
  303    HA   PRO  43           HA       PRO  43  10.042  -1.806   5.772
  304   1HB   PRO  43          2HB       PRO  43   7.747  -3.035   6.406
  305   2HB   PRO  43          1HB       PRO  43   8.131  -1.416   7.020
  306   1HG   PRO  43          2HG       PRO  43   6.350  -2.213   4.746
  307   2HG   PRO  43          1HG       PRO  43   6.085  -0.984   6.002
  308   1HD   PRO  43          2HD       PRO  43   6.969  -0.430   3.455
  309   2HD   PRO  43          1HD       PRO  43   7.289   0.598   4.869
  310    H    LYS  44           H        LYS  44   9.203  -4.331   6.013
  311    HA   LYS  44           HA       LYS  44   9.120  -5.479   3.311
  312   1HB   LYS  44          2HB       LYS  44  11.297  -5.649   5.237
  313   2HB   LYS  44          1HB       LYS  44  10.710  -7.238   4.766
  314   1HG   LYS  44          2HG       LYS  44  11.832  -7.111   2.866
  315   2HG   LYS  44          1HG       LYS  44  10.955  -5.646   2.423
  316   1HD   LYS  44          2HD       LYS  44  13.032  -4.747   2.455
  317   2HD   LYS  44          1HD       LYS  44  12.700  -4.611   4.183
  318   1HE   LYS  44          2HE       LYS  44  13.814  -7.191   3.315
  319   2HE   LYS  44          1HE       LYS  44  14.892  -5.808   3.127
  320   1HZ   LYS  44          1HZ       LYS  44  14.780  -5.344   5.415
  321   2HZ   LYS  44          2HZ       LYS  44  15.001  -7.017   5.315
  322   3HZ   LYS  44          3HZ       LYS  44  13.471  -6.386   5.660
  323    H    VAL  45           H        VAL  45   9.055  -8.088   3.761
  324    HA   VAL  45           HA       VAL  45   7.358  -8.783   5.985
  325    HB   VAL  45           HB       VAL  45   5.548  -9.695   4.452
  326   1HG1  VAL  45          1HG1      VAL  45   5.629  -7.462   5.861
  327   2HG1  VAL  45          2HG1      VAL  45   4.266  -7.840   4.808
  328   3HG1  VAL  45          3HG1      VAL  45   5.522  -6.730   4.261
  329   1HG2  VAL  45          1HG2      VAL  45   6.564  -7.636   2.511
  330   2HG2  VAL  45          2HG2      VAL  45   5.295  -8.837   2.271
  331   3HG2  VAL  45          3HG2      VAL  45   6.980  -9.345   2.383
  332    H    LYS  46           H        LYS  46   6.714 -11.115   5.883
  333    HA   LYS  46           HA       LYS  46   8.954 -12.669   5.088
  334   1HB   LYS  46          2HB       LYS  46   6.478 -13.155   6.667
  335   2HB   LYS  46          1HB       LYS  46   7.333 -14.544   6.010
  336   1HG   LYS  46          2HG       LYS  46   9.040 -12.605   7.394
  337   2HG   LYS  46          1HG       LYS  46   7.842 -13.403   8.415
  338   1HD   LYS  46          2HD       LYS  46   9.292 -15.174   6.567
  339   2HD   LYS  46          1HD       LYS  46  10.283 -14.429   7.822
  340   1HE   LYS  46          2HE       LYS  46   9.389 -16.601   8.530
  341   2HE   LYS  46          1HE       LYS  46   8.795 -15.283   9.538
  342   1HZ   LYS  46          1HZ       LYS  46   7.156 -17.060   8.683
  343   2HZ   LYS  46          2HZ       LYS  46   7.210 -16.196   7.231
  344   3HZ   LYS  46          3HZ       LYS  46   6.691 -15.433   8.649
  345    HA   PRO  47           HA       PRO  47   7.976 -14.140   1.067
  346   1HB   PRO  47          2HB       PRO  47   8.064 -16.868   2.198
  347   2HB   PRO  47          1HB       PRO  47   8.985 -16.165   0.878
  348   1HG   PRO  47          2HG       PRO  47   9.883 -16.600   3.466
  349   2HG   PRO  47          1HG       PRO  47  10.682 -15.637   2.221
  350   1HD   PRO  47          2HD       PRO  47   9.515 -14.721   4.636
  351   2HD   PRO  47          1HD       PRO  47  10.192 -13.748   3.319
  352    H    GLY  48           H        GLY  48   6.067 -14.320   0.078
  353   1HA   GLY  48          2HA       GLY  48   4.074 -15.838  -0.148
  354   2HA   GLY  48          1HA       GLY  48   3.836 -15.553   1.576
  355    H    VAL  49           H        VAL  49   4.625 -12.741   1.372
  356    HA   VAL  49           HA       VAL  49   2.183 -11.701   0.088
  357    HB   VAL  49           HB       VAL  49   3.694 -10.449   2.385
  358   1HG1  VAL  49          1HG1      VAL  49   2.510  -8.663   1.748
  359   2HG1  VAL  49          2HG1      VAL  49   1.119  -9.509   2.424
  360   3HG1  VAL  49          3HG1      VAL  49   1.464  -9.618   0.697
  361   1HG2  VAL  49          1HG2      VAL  49   1.041 -11.825   2.632
  362   2HG2  VAL  49          2HG2      VAL  49   2.180 -11.372   3.900
  363   3HG2  VAL  49          3HG2      VAL  49   2.553 -12.713   2.817
  364    H    ASN  50           H        ASN  50   2.328  -9.926  -1.244
  365    HA   ASN  50           HA       ASN  50   5.032  -9.218  -2.100
  366   1HB   ASN  50          2HB       ASN  50   2.612  -8.197  -3.516
  367   2HB   ASN  50          1HB       ASN  50   4.173  -8.686  -4.172
  368   1HD2  ASN  50          1HD2      ASN  50   0.982  -9.625  -3.455
  369   2HD2  ASN  50          2HD2      ASN  50   1.102 -11.278  -3.974
  370    H    LEU  51           H        LEU  51   5.735  -7.087  -2.298
  371    HA   LEU  51           HA       LEU  51   4.116  -4.886  -1.430
  372   1HB   LEU  51          2HB       LEU  51   4.675  -5.741   0.738
  373   2HB   LEU  51          1HB       LEU  51   6.359  -5.930   0.291
  374    HG   LEU  51           HG       LEU  51   6.316  -3.347  -0.014
  375   1HD1  LEU  51          1HD1      LEU  51   4.147  -3.536   2.036
  376   2HD1  LEU  51          2HD1      LEU  51   3.762  -3.406   0.320
  377   3HD1  LEU  51          3HD1      LEU  51   4.693  -2.135   1.114
  378   1HD2  LEU  51          1HD2      LEU  51   7.361  -3.207   1.990
  379   2HD2  LEU  51          2HD2      LEU  51   7.260  -4.965   1.882
  380   3HD2  LEU  51          3HD2      LEU  51   6.081  -4.072   2.843
  381    H    ASN  52           H        ASN  52   5.043  -2.872  -1.969
  382    HA   ASN  52           HA       ASN  52   7.777  -2.776  -2.903
  383   1HB   ASN  52          2HB       ASN  52   7.430  -2.404  -5.169
  384   2HB   ASN  52          1HB       ASN  52   6.259  -3.666  -4.809
  385   1HD2  ASN  52          1HD2      ASN  52   4.116  -2.557  -3.891
  386   2HD2  ASN  52          2HD2      ASN  52   3.482  -1.341  -4.943
  387    H    CYS  53           H        CYS  53   8.659  -0.844  -2.582
  388    HA   CYS  53           HA       CYS  53   6.984   1.340  -1.637
  389   1HB   CYS  53          2HB       CYS  53   9.953   1.566  -1.812
  390   2HB   CYS  53          1HB       CYS  53   8.848   2.129  -0.563
  391    H    CYS  54           H        CYS  54   7.104   3.455  -2.488
  392    HA   CYS  54           HA       CYS  54   8.529   3.909  -4.975
  393   1HB   CYS  54          2HB       CYS  54   6.297   4.759  -6.004
  394   2HB   CYS  54          1HB       CYS  54   6.664   3.034  -6.057
  395    H    ARG  55           H        ARG  55   8.486   6.032  -5.693
  396    HA   ARG  55           HA       ARG  55   7.968   7.934  -3.529
  397   1HB   ARG  55          2HB       ARG  55   9.903   8.827  -5.459
  398   2HB   ARG  55          1HB       ARG  55  10.074   8.597  -3.728
  399   1HG   ARG  55          2HG       ARG  55  10.393   6.129  -4.268
  400   2HG   ARG  55          1HG       ARG  55  10.627   6.659  -5.937
  401   1HD   ARG  55          2HD       ARG  55  12.268   7.327  -3.506
  402   2HD   ARG  55          1HD       ARG  55  12.783   6.521  -4.987
  403    HE   ARG  55           HE       ARG  55  11.855   9.062  -5.656
  404   1HH1  ARG  55          1HH1      ARG  55  14.488   7.598  -3.898
  405   2HH1  ARG  55          2HH1      ARG  55  15.587   8.899  -4.212
  406   1HH2  ARG  55          1HH2      ARG  55  13.300  10.777  -6.071
  407   2HH2  ARG  55          2HH2      ARG  55  14.913  10.704  -5.445
  408    H    THR  56           H        THR  56   5.944   7.329  -5.397
  409    HA   THR  56           HA       THR  56   5.808   9.875  -6.868
  410    HB   THR  56           HB       THR  56   4.158   7.816  -8.068
  411    HG1  THR  56           1HG      THR  56   5.646   6.311  -7.577
  412   1HG2  THR  56          1HG2      THR  56   5.598  10.051  -8.899
  413   2HG2  THR  56          2HG2      THR  56   4.623   8.967  -9.893
  414   3HG2  THR  56          3HG2      THR  56   6.352   8.674  -9.701
  415    H    ASP  57           H        ASP  57   3.789  10.893  -6.940
  416    HA   ASP  57           HA       ASP  57   2.171  10.609  -4.677
  417   1HB   ASP  57          2HB       ASP  57   0.621  12.154  -5.908
  418   2HB   ASP  57          1HB       ASP  57   2.286  12.724  -5.807
  419    H    ARG  58           H        ARG  58   0.572   9.235  -4.221
  420    HA   ARG  58           HA       ARG  58  -1.017   7.617  -4.432
  421   1HB   ARG  58          2HB       ARG  58  -1.387   9.013  -7.085
  422   2HB   ARG  58          1HB       ARG  58  -2.440   7.718  -6.518
  423   1HG   ARG  58          2HG       ARG  58  -2.918   9.115  -4.497
  424   2HG   ARG  58          1HG       ARG  58  -2.037  10.428  -5.279
  425   1HD   ARG  58          2HD       ARG  58  -3.607  10.148  -7.237
  426   2HD   ARG  58          1HD       ARG  58  -4.562   9.080  -6.211
  427    HE   ARG  58           HE       ARG  58  -4.103  11.545  -4.905
  428   1HH1  ARG  58          1HH1      ARG  58  -5.980  10.124  -7.480
  429   2HH1  ARG  58          2HH1      ARG  58  -7.270  11.269  -7.341
  430   1HH2  ARG  58          1HH2      ARG  58  -5.798  13.053  -4.720
  431   2HH2  ARG  58          2HH2      ARG  58  -7.167  12.934  -5.775
  432    H    CYS  59           H        CYS  59   1.778   7.187  -5.392
  433    HA   CYS  59           HA       CYS  59   1.827   5.554  -7.661
  434   1HB   CYS  59          2HB       CYS  59   4.001   4.848  -6.891
  435   2HB   CYS  59          1HB       CYS  59   3.816   6.572  -6.577
  436    H    ASN  60           H        ASN  60   0.917   4.906  -4.364
  437    HA   ASN  60           HA       ASN  60   0.855   2.021  -4.856
  438   1HB   ASN  60          2HB       ASN  60   0.416   1.822  -2.446
  439   2HB   ASN  60          1HB       ASN  60   1.870   2.771  -2.759
  440   1HD2  ASN  60          1HD2      ASN  60   1.602   3.594  -0.620
  441   2HD2  ASN  60          2HD2      ASN  60   0.480   4.885  -0.318
  442    H    ASN  61           H        ASN  61  -1.046   4.003  -6.060
  443    HA   ASN  61           HA       ASN  61  -3.558   3.753  -4.803
  444   1HB   ASN  61          2HB       ASN  61  -4.460   4.674  -6.832
  445   2HB   ASN  61          1HB       ASN  61  -2.946   5.491  -6.487
  446   1HD2  ASN  61          1HD2      ASN  61  -4.492   3.061  -8.480
  447   2HD2  ASN  61          2HD2      ASN  61  -3.339   3.120  -9.777
  Start of MODEL    7
    1   1H    LEU   1          1HT       LEU   1   4.720  14.901   0.618
    2   2H    LEU   1          2HT       LEU   1   3.764  13.959   1.687
    3   3H    LEU   1          3HT       LEU   1   3.144  15.424   1.041
    4    HA   LEU   1           HA       LEU   1   3.209  14.501  -1.153
    5   1HB   LEU   1          2HB       LEU   1   5.064  12.834  -0.138
    6   2HB   LEU   1          1HB       LEU   1   3.661  11.786  -0.052
    7    HG   LEU   1           HG       LEU   1   4.159  13.174  -2.630
    8   1HD1  LEU   1          1HD1      LEU   1   5.687  10.688  -1.927
    9   2HD1  LEU   1          2HD1      LEU   1   6.383  12.301  -1.762
   10   3HD1  LEU   1          3HD1      LEU   1   5.860  11.724  -3.344
   11   1HD2  LEU   1          1HD2      LEU   1   2.820  11.574  -3.449
   12   2HD2  LEU   1          2HD2      LEU   1   2.374  11.308  -1.764
   13   3HD2  LEU   1          3HD2      LEU   1   3.607  10.299  -2.519
   14    H    GLU   2           H        GLU   2   1.426  13.203  -1.977
   15    HA   GLU   2           HA       GLU   2  -0.621  12.714   0.087
   16   1HB   GLU   2          2HB       GLU   2  -0.680  14.274  -2.355
   17   2HB   GLU   2          1HB       GLU   2  -1.935  13.043  -2.364
   18   1HG   GLU   2          2HG       GLU   2  -2.684  13.867  -0.149
   19   2HG   GLU   2          1HG       GLU   2  -1.504  15.170  -0.282
   20    H    CYS   3           H        CYS   3   0.293  10.529   0.209
   21    HA   CYS   3           HA       CYS   3   0.034   8.792  -2.063
   22   1HB   CYS   3          2HB       CYS   3   0.610   8.223   0.852
   23   2HB   CYS   3          1HB       CYS   3   0.686   7.030  -0.442
   24    H    HIS   4           H        HIS   4  -1.029   6.499  -1.206
   25    HA   HIS   4           HA       HIS   4  -3.807   7.211  -0.526
   26   1HB   HIS   4          2HB       HIS   4  -2.731   5.020  -2.310
   27   2HB   HIS   4          1HB       HIS   4  -4.416   5.115  -1.788
   28    HD1  HIS   4           1HD      HIS   4  -5.473   7.668  -2.390
   29    HD2  HIS   4           2HD      HIS   4  -2.379   6.163  -4.721
   30    HE1  HIS   4           1HE      HIS   4  -5.574   8.953  -4.547
   31    HE2  HIS   4           2HE      HIS   4  -3.771   7.941  -5.987
   32    H    ASN   5           H        ASN   5  -5.053   5.433   0.514
   33    HA   ASN   5           HA       ASN   5  -3.573   3.413   1.937
   34   1HB   ASN   5          2HB       ASN   5  -4.195   4.207   4.190
   35   2HB   ASN   5          1HB       ASN   5  -3.124   5.344   3.365
   36   1HD2  ASN   5          1HD2      ASN   5  -3.943   6.858   4.949
   37   2HD2  ASN   5          2HD2      ASN   5  -5.445   7.672   4.644
   38    H    GLN   6           H        GLN   6  -5.509   3.002   0.130
   39    HA   GLN   6           HA       GLN   6  -7.968   2.494   1.657
   40   1HB   GLN   6          2HB       GLN   6  -8.906   2.033  -0.691
   41   2HB   GLN   6          1HB       GLN   6  -8.547   3.700  -0.264
   42   1HG   GLN   6          2HG       GLN   6  -6.843   3.863  -1.744
   43   2HG   GLN   6          1HG       GLN   6  -6.394   2.166  -1.584
   44   1HE2  GLN   6          1HE2      GLN   6  -7.446   4.317  -3.722
   45   2HE2  GLN   6          2HE2      GLN   6  -8.396   3.303  -4.763
   46    H    GLN   7           H        GLN   7  -8.073   0.524   2.506
   47    HA   GLN   7           HA       GLN   7  -6.549  -1.668   1.446
   48   1HB   GLN   7          2HB       GLN   7  -7.760  -2.927   3.304
   49   2HB   GLN   7          1HB       GLN   7  -6.682  -1.632   3.793
   50   1HG   GLN   7          2HG       GLN   7  -9.481  -0.848   3.371
   51   2HG   GLN   7          1HG       GLN   7  -9.197  -1.959   4.709
   52   1HE2  GLN   7          1HE2      GLN   7  -7.017  -1.259   5.898
   53   2HE2  GLN   7          2HE2      GLN   7  -7.023   0.401   6.409
   54    H    SER   8           H        SER   8  -7.849  -3.877   1.456
   55    HA   SER   8           HA       SER   8  -9.286  -5.228   0.334
   56   1HB   SER   8          2HB       SER   8 -11.050  -4.397   1.699
   57   2HB   SER   8          1HB       SER   8 -11.102  -2.863   0.821
   58    HG   SER   8           HG       SER   8 -11.648  -5.346  -0.424
   59    H    SER   9           H        SER   9 -10.616  -2.244  -1.028
   60    HA   SER   9           HA       SER   9  -9.104  -2.105  -3.359
   61   1HB   SER   9          2HB       SER   9 -10.541  -4.416  -3.460
   62   2HB   SER   9          1HB       SER   9 -11.661  -3.298  -4.237
   63    HG   SER   9           HG       SER   9  -9.165  -4.193  -5.074
   64    H    GLN  10           H        GLN  10 -12.643  -2.171  -2.924
   65    HA   GLN  10           HA       GLN  10 -13.033   0.302  -4.240
   66   1HB   GLN  10          2HB       GLN  10 -14.718  -1.595  -2.704
   67   2HB   GLN  10          1HB       GLN  10 -15.321   0.054  -2.867
   68   1HG   GLN  10          2HG       GLN  10 -14.340  -1.085  -5.362
   69   2HG   GLN  10          1HG       GLN  10 -15.687  -1.979  -4.655
   70   1HE2  GLN  10          1HE2      GLN  10 -17.417  -0.374  -3.734
   71   2HE2  GLN  10          2HE2      GLN  10 -17.921   0.852  -4.856
   72    H    ALA  11           H        ALA  11 -14.617   1.905  -2.868
   73    HA   ALA  11           HA       ALA  11 -14.643   3.637  -1.394
   74   1HB   ALA  11          1HB       ALA  11 -13.223   2.106   0.705
   75   2HB   ALA  11          2HB       ALA  11 -14.742   1.437   0.110
   76   3HB   ALA  11          3HB       ALA  11 -14.704   3.060   0.800
   77    HA   PRO  12           HA       PRO  12 -10.167   4.477  -2.673
   78   1HB   PRO  12          2HB       PRO  12 -11.707   7.011  -3.114
   79   2HB   PRO  12          1HB       PRO  12 -10.364   6.336  -4.050
   80   1HG   PRO  12          2HG       PRO  12 -12.809   6.045  -4.967
   81   2HG   PRO  12          1HG       PRO  12 -11.695   4.656  -4.981
   82   1HD   PRO  12          2HD       PRO  12 -13.971   5.236  -3.123
   83   2HD   PRO  12          1HD       PRO  12 -13.450   3.685  -3.822
   84    H    THR  13           H        THR  13  -8.681   5.972  -1.704
   85    HA   THR  13           HA       THR  13  -9.533   7.703   0.424
   86    HB   THR  13           HB       THR  13  -7.659   5.568   1.341
   87    HG1  THR  13           1HG      THR  13 -10.477   5.285   1.405
   88   1HG2  THR  13          1HG2      THR  13  -8.878   5.930   3.481
   89   2HG2  THR  13          2HG2      THR  13  -9.759   7.239   2.692
   90   3HG2  THR  13          3HG2      THR  13  -8.008   7.343   2.881
   91    H    THR  14           H        THR  14  -7.689   8.828   1.443
   92    HA   THR  14           HA       THR  14  -5.095   8.599   0.228
   93    HB   THR  14           HB       THR  14  -6.333  11.282  -0.185
   94    HG1  THR  14           1HG      THR  14  -7.502  10.668  -1.821
   95   1HG2  THR  14          1HG2      THR  14  -3.927  10.863  -0.636
   96   2HG2  THR  14          2HG2      THR  14  -4.839  11.442  -2.031
   97   3HG2  THR  14          3HG2      THR  14  -4.413   9.735  -1.902
   98    H    LYS  15           H        LYS  15  -3.502   9.862   1.276
   99    HA   LYS  15           HA       LYS  15  -4.326  11.506   3.533
  100   1HB   LYS  15          2HB       LYS  15  -3.511   8.793   3.847
  101   2HB   LYS  15          1HB       LYS  15  -2.242   9.817   4.501
  102   1HG   LYS  15          2HG       LYS  15  -4.897  10.672   5.315
  103   2HG   LYS  15          1HG       LYS  15  -4.530   9.017   5.803
  104   1HD   LYS  15          2HD       LYS  15  -3.272   9.782   7.469
  105   2HD   LYS  15          1HD       LYS  15  -2.232  10.611   6.310
  106   1HE   LYS  15          2HE       LYS  15  -3.295  12.621   6.587
  107   2HE   LYS  15          1HE       LYS  15  -4.827  11.872   7.033
  108   1HZ   LYS  15          1HZ       LYS  15  -2.563  12.599   8.699
  109   2HZ   LYS  15          2HZ       LYS  15  -3.300  11.123   9.075
  110   3HZ   LYS  15          3HZ       LYS  15  -4.213  12.548   9.074
  111    H    THR  16           H        THR  16  -1.921  11.847   4.779
  112    HA   THR  16           HA       THR  16   0.093  12.460   2.778
  113    HB   THR  16           HB       THR  16  -0.944  14.676   4.543
  114    HG1  THR  16           1HG      THR  16  -2.143  15.382   2.846
  115   1HG2  THR  16          1HG2      THR  16   0.287  15.388   2.020
  116   2HG2  THR  16          2HG2      THR  16   1.381  14.512   3.090
  117   3HG2  THR  16          3HG2      THR  16   0.599  15.991   3.648
  118    H    CYS  17           H        CYS  17   2.134  12.453   3.591
  119    HA   CYS  17           HA       CYS  17   2.391  12.088   6.503
  120   1HB   CYS  17          2HB       CYS  17   4.080  10.934   4.273
  121   2HB   CYS  17          1HB       CYS  17   4.424  10.751   5.995
  122    H    SER  18           H        SER  18   3.368  13.703   7.512
  123    HA   SER  18           HA       SER  18   5.097  15.504   5.980
  124   1HB   SER  18          2HB       SER  18   4.862  16.744   8.360
  125   2HB   SER  18          1HB       SER  18   3.681  16.929   7.064
  126    HG   SER  18           HG       SER  18   3.523  15.066   9.203
  127    H    GLY  19           H        GLY  19   5.994  12.870   6.858
  128   1HA   GLY  19          2HA       GLY  19   8.359  13.766   8.341
  129   2HA   GLY  19          1HA       GLY  19   7.438  12.414   8.995
  130    H    GLU  20           H        GLU  20   6.822  10.917   6.849
  131    HA   GLU  20           HA       GLU  20   9.265   9.607   6.278
  132   1HB   GLU  20          2HB       GLU  20   6.413   9.220   5.633
  133   2HB   GLU  20          1HB       GLU  20   7.539   8.557   4.448
  134   1HG   GLU  20          2HG       GLU  20   7.488   6.755   5.769
  135   2HG   GLU  20          1HG       GLU  20   8.647   7.661   6.741
  136    H    THR  21           H        THR  21   9.371   8.872   3.724
  137    HA   THR  21           HA       THR  21   9.503  11.361   2.166
  138    HB   THR  21           HB       THR  21  11.600   9.187   2.223
  139    HG1  THR  21           1HG      THR  21  11.770  10.464   4.043
  140   1HG2  THR  21          1HG2      THR  21  12.000   9.969   0.152
  141   2HG2  THR  21          2HG2      THR  21  12.829  11.242   1.049
  142   3HG2  THR  21          3HG2      THR  21  11.190  11.506   0.453
  143    H    ASN  22           H        ASN  22   9.812   7.837   1.865
  144    HA   ASN  22           HA       ASN  22   8.404   8.005  -0.707
  145   1HB   ASN  22          2HB       ASN  22   9.336   5.516  -0.781
  146   2HB   ASN  22          1HB       ASN  22  10.323   6.890  -1.271
  147   1HD2  ASN  22          1HD2      ASN  22   9.478   5.012   1.600
  148   2HD2  ASN  22          2HD2      ASN  22  11.071   5.017   2.291
  149    H    CYS  23           H        CYS  23   6.869   6.316  -1.220
  150    HA   CYS  23           HA       CYS  23   5.490   5.286   1.167
  151   1HB   CYS  23          2HB       CYS  23   4.512   6.537  -1.362
  152   2HB   CYS  23          1HB       CYS  23   3.520   5.284  -0.618
  153    H    TYR  24           H        TYR  24   3.765   3.497   0.026
  154    HA   TYR  24           HA       TYR  24   5.133   1.822  -1.861
  155   1HB   TYR  24          2HB       TYR  24   5.442  -0.112  -0.422
  156   2HB   TYR  24          1HB       TYR  24   6.350   1.264   0.205
  157    HD1  TYR  24           1HD      TYR  24   6.129   1.845   2.446
  158    HD2  TYR  24           2HD      TYR  24   3.090  -0.505   0.620
  159    HE1  TYR  24           1HE      TYR  24   5.045   1.558   4.634
  160    HE2  TYR  24           2HE      TYR  24   1.995  -0.795   2.800
  161    HH   TYR  24           HH       TYR  24   1.893   0.276   4.968
  162    H    LYS  25           H        LYS  25   4.009  -0.447  -1.819
  163    HA   LYS  25           HA       LYS  25   1.188  -0.358  -1.195
  164   1HB   LYS  25          2HB       LYS  25   1.763   0.695  -3.582
  165   2HB   LYS  25          1HB       LYS  25   1.780  -1.002  -4.046
  166   1HG   LYS  25          2HG       LYS  25  -0.531  -0.009  -2.474
  167   2HG   LYS  25          1HG       LYS  25  -0.409   0.459  -4.171
  168   1HD   LYS  25          2HD       LYS  25   0.129  -2.199  -4.315
  169   2HD   LYS  25          1HD       LYS  25  -1.005  -2.155  -2.964
  170   1HE   LYS  25          2HE       LYS  25  -2.737  -1.730  -4.308
  171   2HE   LYS  25          1HE       LYS  25  -1.853  -0.482  -5.185
  172   1HZ   LYS  25          1HZ       LYS  25  -1.247  -1.916  -6.790
  173   2HZ   LYS  25          2HZ       LYS  25  -2.601  -2.786  -6.271
  174   3HZ   LYS  25          3HZ       LYS  25  -1.060  -3.222  -5.731
  175    H    LYS  26           H        LYS  26   0.744  -2.305  -0.394
  176    HA   LYS  26           HA       LYS  26   2.291  -4.600  -1.405
  177   1HB   LYS  26          2HB       LYS  26   1.446  -5.446   1.034
  178   2HB   LYS  26          1HB       LYS  26   3.004  -4.708   0.724
  179   1HG   LYS  26          2HG       LYS  26   2.303  -2.618   1.546
  180   2HG   LYS  26          1HG       LYS  26   0.605  -3.095   1.518
  181   1HD   LYS  26          2HD       LYS  26   1.039  -4.739   3.279
  182   2HD   LYS  26          1HD       LYS  26   2.738  -4.266   3.304
  183   1HE   LYS  26          2HE       LYS  26   2.261  -2.165   4.207
  184   2HE   LYS  26          1HE       LYS  26   0.559  -2.257   3.757
  185   1HZ   LYS  26          1HZ       LYS  26   0.167  -2.981   5.800
  186   2HZ   LYS  26          2HZ       LYS  26   1.817  -3.087   6.155
  187   3HZ   LYS  26          3HZ       LYS  26   1.021  -4.397   5.440
  188    H    TRP  27           H        TRP  27   1.269  -6.633  -1.491
  189    HA   TRP  27           HA       TRP  27  -1.534  -6.900  -0.987
  190   1HB   TRP  27          2HB       TRP  27  -2.131  -7.522  -3.323
  191   2HB   TRP  27          1HB       TRP  27  -1.773  -5.832  -3.116
  192    HD1  TRP  27           HD       TRP  27  -0.748  -8.835  -4.959
  193    HE1  TRP  27           1HE      TRP  27   1.113  -8.267  -6.623
  194    HE3  TRP  27           3HE      TRP  27   0.350  -4.120  -3.359
  195    HZ2  TRP  27           2HZ      TRP  27   2.837  -6.107  -7.198
  196    HZ3  TRP  27           3HZ      TRP  27   2.117  -2.866  -4.525
  197    HH2  TRP  27           HH       TRP  27   3.334  -3.839  -6.401
  198    H    TRP  28           H        TRP  28  -2.315  -9.040  -1.406
  199    HA   TRP  28           HA       TRP  28  -0.373 -11.086  -2.084
  200   1HB   TRP  28          2HB       TRP  28  -0.695 -12.297   0.080
  201   2HB   TRP  28          1HB       TRP  28   0.155 -10.766   0.256
  202    HD1  TRP  28           HD       TRP  28  -3.018 -12.518   1.232
  203    HE1  TRP  28           1HE      TRP  28  -4.290 -11.041   2.876
  204    HE3  TRP  28           3HE      TRP  28  -0.238  -8.252   0.869
  205    HZ2  TRP  28           2HZ      TRP  28  -4.164  -8.430   3.929
  206    HZ3  TRP  28           3HZ      TRP  28  -0.875  -6.309   2.233
  207    HH2  TRP  28           HH       TRP  28  -2.804  -6.397   3.732
  208    H    SER  29           H        SER  29  -1.501 -13.338  -1.488
  209    HA   SER  29           HA       SER  29  -4.331 -13.154  -2.275
  210   1HB   SER  29          2HB       SER  29  -2.151 -14.301  -3.767
  211   2HB   SER  29          1HB       SER  29  -3.310 -15.565  -3.338
  212    HG   SER  29           HG       SER  29  -4.890 -14.490  -4.412
  213    H    ASP  30           H        ASP  30  -5.285 -13.702  -0.392
  214    HA   ASP  30           HA       ASP  30  -4.306 -16.048   1.064
  215   1HB   ASP  30          2HB       ASP  30  -5.982 -15.267   2.811
  216   2HB   ASP  30          1HB       ASP  30  -4.616 -14.188   2.511
  217    H    HIS  31           H        HIS  31  -6.376 -17.132   2.250
  218    HA   HIS  31           HA       HIS  31  -7.627 -18.681   0.291
  219   1HB   HIS  31          2HB       HIS  31  -8.968 -19.605   2.088
  220   2HB   HIS  31          1HB       HIS  31  -7.317 -19.374   2.652
  221    HD1  HIS  31           1HD      HIS  31  -6.954 -17.146   4.159
  222    HD2  HIS  31           2HD      HIS  31 -10.870 -18.435   3.644
  223    HE1  HIS  31           1HE      HIS  31  -8.279 -16.010   5.969
  224    HE2  HIS  31           2HE      HIS  31 -10.629 -16.874   5.691
  225    H    ARG  32           H        ARG  32  -8.759 -15.830   2.039
  226    HA   ARG  32           HA       ARG  32 -11.414 -15.891   1.055
  227   1HB   ARG  32          2HB       ARG  32  -9.693 -13.910   2.457
  228   2HB   ARG  32          1HB       ARG  32 -11.111 -13.290   1.612
  229   1HG   ARG  32          2HG       ARG  32 -11.799 -15.604   3.179
  230   2HG   ARG  32          1HG       ARG  32 -11.001 -14.387   4.176
  231   1HD   ARG  32          2HD       ARG  32 -13.364 -13.887   2.367
  232   2HD   ARG  32          1HD       ARG  32 -13.449 -14.107   4.115
  233    HE   ARG  32           HE       ARG  32 -11.680 -11.994   3.299
  234   1HH1  ARG  32          1HH1      ARG  32 -14.979 -12.824   4.073
  235   2HH1  ARG  32          2HH1      ARG  32 -15.420 -11.204   4.493
  236   1HH2  ARG  32          1HH2      ARG  32 -12.258  -9.862   3.852
  237   2HH2  ARG  32          2HH2      ARG  32 -13.876  -9.521   4.367
  238    H    GLY  33           H        GLY  33  -8.412 -14.583  -0.181
  239   1HA   GLY  33          2HA       GLY  33  -8.889 -14.586  -2.811
  240   2HA   GLY  33          1HA       GLY  33  -9.757 -13.135  -2.315
  241    H    THR  34           H        THR  34  -8.622 -11.375  -2.752
  242    HA   THR  34           HA       THR  34  -5.736 -11.391  -2.169
  243    HB   THR  34           HB       THR  34  -6.972  -9.869  -4.461
  244    HG1  THR  34           1HG      THR  34  -5.724 -12.413  -4.499
  245   1HG2  THR  34          1HG2      THR  34  -4.166 -10.766  -4.499
  246   2HG2  THR  34          2HG2      THR  34  -4.567  -9.462  -3.382
  247   3HG2  THR  34          3HG2      THR  34  -4.897  -9.280  -5.105
  248    H    ILE  35           H        ILE  35  -4.868  -9.494  -1.334
  249    HA   ILE  35           HA       ILE  35  -6.771  -7.330  -0.738
  250    HB   ILE  35           HB       ILE  35  -4.765  -8.369   1.258
  251   1HG1  ILE  35          2HG1      ILE  35  -7.752  -8.835   1.122
  252   2HG1  ILE  35          1HG1      ILE  35  -6.504 -10.053   0.878
  253   1HG2  ILE  35          1HG2      ILE  35  -6.943  -6.301   1.380
  254   2HG2  ILE  35          2HG2      ILE  35  -5.216  -6.086   1.667
  255   3HG2  ILE  35          3HG2      ILE  35  -6.195  -6.993   2.820
  256   1HD1  ILE  35          1HD1      ILE  35  -6.061  -8.804   3.390
  257   2HD1  ILE  35          2HD1      ILE  35  -6.490 -10.478   3.043
  258   3HD1  ILE  35          3HD1      ILE  35  -7.756  -9.275   3.281
  259    H    ILE  36           H        ILE  36  -5.781  -5.267  -0.273
  260    HA   ILE  36           HA       ILE  36  -2.969  -4.990  -1.046
  261    HB   ILE  36           HB       ILE  36  -3.577  -3.041  -2.510
  262   1HG1  ILE  36          2HG1      ILE  36  -6.250  -4.031  -3.103
  263   2HG1  ILE  36          1HG1      ILE  36  -6.121  -3.449  -1.447
  264   1HG2  ILE  36          1HG2      ILE  36  -3.853  -5.868  -3.084
  265   2HG2  ILE  36          2HG2      ILE  36  -3.056  -4.598  -4.011
  266   3HG2  ILE  36          3HG2      ILE  36  -4.788  -4.870  -4.196
  267   1HD1  ILE  36          1HD1      ILE  36  -6.837  -1.805  -3.270
  268   2HD1  ILE  36          2HD1      ILE  36  -5.138  -1.804  -3.743
  269   3HD1  ILE  36          3HD1      ILE  36  -5.602  -1.289  -2.121
  270    H    GLU  37           H        GLU  37  -1.966  -3.728   0.437
  271    HA   GLU  37           HA       GLU  37  -3.566  -1.625   1.744
  272   1HB   GLU  37          2HB       GLU  37  -1.556  -2.088   3.533
  273   2HB   GLU  37          1HB       GLU  37  -3.177  -2.766   3.644
  274   1HG   GLU  37          2HG       GLU  37  -2.446  -4.812   2.629
  275   2HG   GLU  37          1HG       GLU  37  -0.851  -4.134   2.312
  276    H    ARG  38           H        ARG  38  -2.210   0.175   2.635
  277    HA   ARG  38           HA       ARG  38   0.172   0.659   0.975
  278   1HB   ARG  38          2HB       ARG  38  -1.682   2.909   1.669
  279   2HB   ARG  38          1HB       ARG  38  -0.518   2.795   0.358
  280   1HG   ARG  38          2HG       ARG  38  -2.353   0.760  -0.139
  281   2HG   ARG  38          1HG       ARG  38  -3.322   2.136   0.391
  282   1HD   ARG  38          2HD       ARG  38  -1.929   3.508  -1.266
  283   2HD   ARG  38          1HD       ARG  38  -1.430   1.954  -1.932
  284    HE   ARG  38           HE       ARG  38  -3.927   3.254  -2.325
  285   1HH1  ARG  38          1HH1      ARG  38  -2.461   0.104  -1.999
  286   2HH1  ARG  38          2HH1      ARG  38  -3.690  -0.699  -2.916
  287   1HH2  ARG  38          1HH2      ARG  38  -5.542   2.200  -3.532
  288   2HH2  ARG  38          2HH2      ARG  38  -5.439   0.489  -3.788
  289    H    GLY  39           H        GLY  39   1.115   2.952   1.867
  290   1HA   GLY  39          2HA       GLY  39   0.964   3.676   4.513
  291   2HA   GLY  39          1HA       GLY  39   2.068   2.310   4.488
  292    H    CYS  40           H        CYS  40   3.163   4.499   5.413
  293    HA   CYS  40           HA       CYS  40   4.585   5.754   3.165
  294   1HB   CYS  40          2HB       CYS  40   3.707   6.724   5.831
  295   2HB   CYS  40          1HB       CYS  40   5.262   7.318   5.244
  296    H    GLY  41           H        GLY  41   6.356   4.542   2.782
  297   1HA   GLY  41          2HA       GLY  41   8.687   4.671   4.058
  298   2HA   GLY  41          1HA       GLY  41   7.875   3.426   5.006
  299    H    CYS  42           H        CYS  42   9.431   1.885   4.404
  300    HA   CYS  42           HA       CYS  42   8.810   0.507   1.962
  301   1HB   CYS  42          2HB       CYS  42  10.496   2.283   1.293
  302   2HB   CYS  42          1HB       CYS  42  11.663   1.438   2.313
  303    HA   PRO  43           HA       PRO  43  10.359  -2.065   5.529
  304   1HB   PRO  43          2HB       PRO  43   8.093  -3.367   6.119
  305   2HB   PRO  43          1HB       PRO  43   8.407  -1.732   6.728
  306   1HG   PRO  43          2HG       PRO  43   6.713  -2.605   4.416
  307   2HG   PRO  43          1HG       PRO  43   6.371  -1.382   5.658
  308   1HD   PRO  43          2HD       PRO  43   7.294  -0.800   3.136
  309   2HD   PRO  43          1HD       PRO  43   7.556   0.238   4.556
  310    H    LYS  44           H        LYS  44   9.650  -4.600   5.794
  311    HA   LYS  44           HA       LYS  44  10.251  -5.765   3.177
  312   1HB   LYS  44          2HB       LYS  44  10.963  -7.750   4.451
  313   2HB   LYS  44          1HB       LYS  44  11.822  -6.300   4.950
  314   1HG   LYS  44          2HG       LYS  44  11.269  -6.792   7.035
  315   2HG   LYS  44          1HG       LYS  44   9.602  -6.402   6.605
  316   1HD   LYS  44          2HD       LYS  44   9.687  -8.906   5.688
  317   2HD   LYS  44          1HD       LYS  44  10.912  -9.038   6.952
  318   1HE   LYS  44          2HE       LYS  44   9.316  -8.193   8.595
  319   2HE   LYS  44          1HE       LYS  44   8.095  -8.027   7.334
  320   1HZ   LYS  44          1HZ       LYS  44   9.035 -10.409   8.702
  321   2HZ   LYS  44          2HZ       LYS  44   8.754 -10.584   7.044
  322   3HZ   LYS  44          3HZ       LYS  44   7.509 -10.058   8.061
  323    H    VAL  45           H        VAL  45   9.429  -8.305   3.367
  324    HA   VAL  45           HA       VAL  45   6.650  -8.381   4.214
  325    HB   VAL  45           HB       VAL  45   5.933  -9.237   1.948
  326   1HG1  VAL  45          1HG1      VAL  45   5.134  -7.191   1.437
  327   2HG1  VAL  45          2HG1      VAL  45   6.726  -6.435   1.496
  328   3HG1  VAL  45          3HG1      VAL  45   5.849  -6.758   2.990
  329   1HG2  VAL  45          1HG2      VAL  45   7.677  -9.683   0.590
  330   2HG2  VAL  45          2HG2      VAL  45   8.722  -8.491   1.362
  331   3HG2  VAL  45          3HG2      VAL  45   7.528  -7.977   0.171
  332    H    LYS  46           H        LYS  46   5.709 -10.532   4.032
  333    HA   LYS  46           HA       LYS  46   7.605 -12.546   4.708
  334   1HB   LYS  46          2HB       LYS  46   4.644 -12.282   4.745
  335   2HB   LYS  46          1HB       LYS  46   5.315 -13.906   4.732
  336   1HG   LYS  46          2HG       LYS  46   6.592 -12.158   6.681
  337   2HG   LYS  46          1HG       LYS  46   4.861 -12.364   6.953
  338   1HD   LYS  46          2HD       LYS  46   5.053 -14.631   7.323
  339   2HD   LYS  46          1HD       LYS  46   6.541 -14.764   6.385
  340   1HE   LYS  46          2HE       LYS  46   6.791 -13.037   8.725
  341   2HE   LYS  46          1HE       LYS  46   6.371 -14.702   9.124
  342   1HZ   LYS  46          1HZ       LYS  46   8.775 -13.674   7.767
  343   2HZ   LYS  46          2HZ       LYS  46   8.279 -15.270   7.509
  344   3HZ   LYS  46          3HZ       LYS  46   8.661 -14.746   9.071
  345    HA   PRO  47           HA       PRO  47   7.718 -14.736   0.888
  346   1HB   PRO  47          2HB       PRO  47   7.290 -17.371   1.723
  347   2HB   PRO  47          1HB       PRO  47   8.826 -16.529   1.672
  348   1HG   PRO  47          2HG       PRO  47   7.347 -17.355   3.936
  349   2HG   PRO  47          1HG       PRO  47   8.927 -16.578   3.882
  350   1HD   PRO  47          2HD       PRO  47   6.359 -15.447   4.569
  351   2HD   PRO  47          1HD       PRO  47   7.977 -14.737   4.715
  352    H    GLY  48           H        GLY  48   5.881 -13.965  -0.145
  353   1HA   GLY  48          2HA       GLY  48   4.140 -15.471  -1.403
  354   2HA   GLY  48          1HA       GLY  48   3.374 -15.445   0.184
  355    H    VAL  49           H        VAL  49   3.769 -12.902   0.998
  356    HA   VAL  49           HA       VAL  49   1.872 -11.458  -0.607
  357    HB   VAL  49           HB       VAL  49   1.639 -11.317   1.766
  358   1HG1  VAL  49          1HG1      VAL  49   3.633  -9.922   2.901
  359   2HG1  VAL  49          2HG1      VAL  49   4.536 -10.834   1.691
  360   3HG1  VAL  49          3HG1      VAL  49   3.550 -11.683   2.880
  361   1HG2  VAL  49          1HG2      VAL  49   2.792  -8.632   1.142
  362   2HG2  VAL  49          2HG2      VAL  49   1.316  -9.042   2.016
  363   3HG2  VAL  49          3HG2      VAL  49   1.379  -9.209   0.263
  364    H    ASN  50           H        ASN  50   2.239  -9.734  -1.907
  365    HA   ASN  50           HA       ASN  50   5.021  -9.137  -2.555
  366   1HB   ASN  50          2HB       ASN  50   2.572  -8.136  -4.004
  367   2HB   ASN  50          1HB       ASN  50   4.223  -8.249  -4.614
  368   1HD2  ASN  50          1HD2      ASN  50   1.379 -10.066  -3.690
  369   2HD2  ASN  50          2HD2      ASN  50   1.771 -11.501  -4.585
  370    H    LEU  51           H        LEU  51   5.702  -6.936  -2.938
  371    HA   LEU  51           HA       LEU  51   4.196  -4.748  -1.857
  372   1HB   LEU  51          2HB       LEU  51   4.978  -5.624   0.225
  373   2HB   LEU  51          1HB       LEU  51   6.599  -5.839  -0.406
  374    HG   LEU  51           HG       LEU  51   6.572  -3.252  -0.681
  375   1HD1  LEU  51          1HD1      LEU  51   4.615  -3.447   1.577
  376   2HD1  LEU  51          2HD1      LEU  51   4.079  -3.245  -0.091
  377   3HD1  LEU  51          3HD1      LEU  51   5.113  -2.027   0.656
  378   1HD2  LEU  51          1HD2      LEU  51   6.632  -4.155   2.161
  379   2HD2  LEU  51          2HD2      LEU  51   7.733  -3.081   1.297
  380   3HD2  LEU  51          3HD2      LEU  51   7.788  -4.821   1.005
  381    H    ASN  52           H        ASN  52   5.066  -2.732  -2.456
  382    HA   ASN  52           HA       ASN  52   7.665  -2.646  -3.727
  383   1HB   ASN  52          2HB       ASN  52   7.037  -2.285  -5.906
  384   2HB   ASN  52          1HB       ASN  52   5.768  -3.395  -5.407
  385   1HD2  ASN  52          1HD2      ASN  52   3.912  -2.029  -4.223
  386   2HD2  ASN  52          2HD2      ASN  52   3.319  -0.725  -5.186
  387    H    CYS  53           H        CYS  53   8.620  -0.825  -3.149
  388    HA   CYS  53           HA       CYS  53   7.056   1.366  -2.077
  389   1HB   CYS  53          2HB       CYS  53  10.052   1.321  -2.320
  390   2HB   CYS  53          1HB       CYS  53   9.049   2.132  -1.125
  391    H    CYS  54           H        CYS  54   7.379   3.557  -2.763
  392    HA   CYS  54           HA       CYS  54   8.723   4.143  -5.231
  393   1HB   CYS  54          2HB       CYS  54   6.458   5.023  -6.214
  394   2HB   CYS  54          1HB       CYS  54   6.908   3.329  -6.418
  395    H    ARG  55           H        ARG  55   8.671   6.309  -5.813
  396    HA   ARG  55           HA       ARG  55   8.018   8.079  -3.574
  397   1HB   ARG  55          2HB       ARG  55  10.072   9.097  -5.300
  398   2HB   ARG  55          1HB       ARG  55  10.132   8.743  -3.582
  399   1HG   ARG  55          2HG       ARG  55  10.512   6.325  -4.268
  400   2HG   ARG  55          1HG       ARG  55  10.835   6.964  -5.883
  401   1HD   ARG  55          2HD       ARG  55  12.323   7.505  -3.324
  402   2HD   ARG  55          1HD       ARG  55  12.932   6.761  -4.803
  403    HE   ARG  55           HE       ARG  55  12.023   9.349  -5.380
  404   1HH1  ARG  55          1HH1      ARG  55  14.607   7.735  -3.679
  405   2HH1  ARG  55          2HH1      ARG  55  15.735   9.029  -3.907
  406   1HH2  ARG  55          1HH2      ARG  55  13.507  11.054  -5.681
  407   2HH2  ARG  55          2HH2      ARG  55  15.111  10.914  -5.042
  408    H    THR  56           H        THR  56   6.161   7.541  -5.662
  409    HA   THR  56           HA       THR  56   6.120  10.163  -7.010
  410    HB   THR  56           HB       THR  56   4.763   7.768  -8.195
  411    HG1  THR  56           1HG      THR  56   7.455   8.483  -8.700
  412   1HG2  THR  56          1HG2      THR  56   5.769   9.124 -10.262
  413   2HG2  THR  56          2HG2      THR  56   5.576  10.446  -9.110
  414   3HG2  THR  56          3HG2      THR  56   4.186   9.457  -9.561
  415    H    ASP  57           H        ASP  57   4.014  11.064  -7.404
  416    HA   ASP  57           HA       ASP  57   2.267  10.800  -5.194
  417   1HB   ASP  57          2HB       ASP  57   2.692  12.740  -7.041
  418   2HB   ASP  57          1HB       ASP  57   1.188  12.045  -7.652
  419    H    ARG  58           H        ARG  58   0.605   9.470  -4.860
  420    HA   ARG  58           HA       ARG  58  -0.962   7.850  -5.182
  421   1HB   ARG  58          2HB       ARG  58  -1.077   9.022  -7.970
  422   2HB   ARG  58          1HB       ARG  58  -2.273   7.933  -7.267
  423   1HG   ARG  58          2HG       ARG  58  -2.664   9.655  -5.492
  424   2HG   ARG  58          1HG       ARG  58  -1.633  10.746  -6.418
  425   1HD   ARG  58          2HD       ARG  58  -3.420   9.758  -8.291
  426   2HD   ARG  58          1HD       ARG  58  -4.403   9.992  -6.845
  427    HE   ARG  58           HE       ARG  58  -2.950  12.299  -7.089
  428   1HH1  ARG  58          1HH1      ARG  58  -5.171  10.541  -9.129
  429   2HH1  ARG  58          2HH1      ARG  58  -5.745  11.959  -9.939
  430   1HH2  ARG  58          1HH2      ARG  58  -3.704  14.165  -8.154
  431   2HH2  ARG  58          2HH2      ARG  58  -4.912  14.017  -9.386
  432    H    CYS  59           H        CYS  59   1.880   7.328  -5.760
  433    HA   CYS  59           HA       CYS  59   2.137   5.639  -8.000
  434   1HB   CYS  59          2HB       CYS  59   4.269   5.088  -7.139
  435   2HB   CYS  59          1HB       CYS  59   3.986   6.764  -6.677
  436    H    ASN  60           H        ASN  60   0.977   5.113  -4.757
  437    HA   ASN  60           HA       ASN  60   0.905   2.210  -5.186
  438   1HB   ASN  60          2HB       ASN  60   0.367   2.073  -2.780
  439   2HB   ASN  60          1HB       ASN  60   1.874   2.945  -3.070
  440   1HD2  ASN  60          1HD2      ASN  60   1.382   3.659  -0.841
  441   2HD2  ASN  60          2HD2      ASN  60   0.394   5.074  -0.647
  442    H    ASN  61           H        ASN  61  -0.926   4.284  -6.422
  443    HA   ASN  61           HA       ASN  61  -3.476   4.067  -5.243
  444   1HB   ASN  61          2HB       ASN  61  -4.299   4.931  -7.380
  445   2HB   ASN  61          1HB       ASN  61  -2.890   5.833  -6.842
  446   1HD2  ASN  61          1HD2      ASN  61  -3.527   6.094  -9.390
  447   2HD2  ASN  61          2HD2      ASN  61  -2.439   5.210 -10.415
  Start of MODEL    8
    1   1H    LEU   1          1HT       LEU   1   4.409  15.503  -1.740
    2   2H    LEU   1          2HT       LEU   1   5.363  15.342  -3.157
    3   3H    LEU   1          3HT       LEU   1   5.382  14.109  -1.963
    4    HA   LEU   1           HA       LEU   1   3.242  14.846  -3.819
    5   1HB   LEU   1          2HB       LEU   1   3.427  12.539  -4.476
    6   2HB   LEU   1          1HB       LEU   1   5.013  13.286  -4.531
    7    HG   LEU   1           HG       LEU   1   4.437  12.022  -1.972
    8   1HD1  LEU   1          1HD1      LEU   1   3.459  10.178  -2.783
    9   2HD1  LEU   1          2HD1      LEU   1   5.073   9.763  -3.362
   10   3HD1  LEU   1          3HD1      LEU   1   3.921  10.546  -4.445
   11   1HD2  LEU   1          1HD2      LEU   1   6.662  11.623  -1.991
   12   2HD2  LEU   1          2HD2      LEU   1   6.638  12.877  -3.231
   13   3HD2  LEU   1          3HD2      LEU   1   6.679  11.176  -3.697
   14    H    GLU   2           H        GLU   2   1.527  12.918  -3.596
   15    HA   GLU   2           HA       GLU   2   0.836  12.563  -0.769
   16   1HB   GLU   2          2HB       GLU   2  -1.071  13.585  -2.882
   17   2HB   GLU   2          1HB       GLU   2  -1.502  13.183  -1.225
   18   1HG   GLU   2          2HG       GLU   2  -0.874  15.176  -0.491
   19   2HG   GLU   2          1HG       GLU   2   0.685  15.062  -1.306
   20    H    CYS   3           H        CYS   3   0.613  10.450  -0.438
   21    HA   CYS   3           HA       CYS   3   0.105   8.639  -2.607
   22   1HB   CYS   3          2HB       CYS   3   0.176   7.940   0.325
   23   2HB   CYS   3          1HB       CYS   3   0.556   6.914  -1.054
   24    H    HIS   4           H        HIS   4  -1.420   6.671  -1.319
   25    HA   HIS   4           HA       HIS   4  -4.046   7.997  -1.170
   26   1HB   HIS   4          2HB       HIS   4  -3.214   5.364  -2.366
   27   2HB   HIS   4          1HB       HIS   4  -4.896   5.695  -1.945
   28    HD1  HIS   4           1HD      HIS   4  -5.736   8.130  -3.079
   29    HD2  HIS   4           2HD      HIS   4  -2.666   6.019  -4.923
   30    HE1  HIS   4           1HE      HIS   4  -5.651   8.995  -5.436
   31    HE2  HIS   4           2HE      HIS   4  -3.872   7.613  -6.567
   32    H    ASN   5           H        ASN   5  -2.023   5.432   0.125
   33    HA   ASN   5           HA       ASN   5  -2.226   4.074   1.954
   34   1HB   ASN   5          2HB       ASN   5  -2.594   5.328   4.053
   35   2HB   ASN   5          1HB       ASN   5  -1.469   6.148   2.965
   36   1HD2  ASN   5          1HD2      ASN   5  -1.826   8.203   2.533
   37   2HD2  ASN   5          2HD2      ASN   5  -3.304   9.062   2.841
   38    H    GLN   6           H        GLN   6  -4.408   3.621   0.376
   39    HA   GLN   6           HA       GLN   6  -6.575   3.310   2.351
   40   1HB   GLN   6          2HB       GLN   6  -8.165   3.347   0.435
   41   2HB   GLN   6          1HB       GLN   6  -7.319   4.869   0.670
   42   1HG   GLN   6          2HG       GLN   6  -6.561   4.819  -1.403
   43   2HG   GLN   6          1HG       GLN   6  -5.826   3.242  -1.129
   44   1HE2  GLN   6          1HE2      GLN   6  -6.646   3.681  -3.582
   45   2HE2  GLN   6          2HE2      GLN   6  -8.114   2.827  -3.937
   46    H    GLN   7           H        GLN   7  -5.886   1.271   2.999
   47    HA   GLN   7           HA       GLN   7  -5.402  -0.818   1.088
   48   1HB   GLN   7          2HB       GLN   7  -5.367  -2.238   3.208
   49   2HB   GLN   7          1HB       GLN   7  -4.135  -0.997   3.060
   50   1HG   GLN   7          2HG       GLN   7  -5.167   0.374   4.644
   51   2HG   GLN   7          1HG       GLN   7  -6.695  -0.500   4.534
   52   1HE2  GLN   7          1HE2      GLN   7  -7.040  -1.357   6.460
   53   2HE2  GLN   7          2HE2      GLN   7  -5.898  -2.299   7.368
   54    H    SER   8           H        SER   8  -6.614  -2.822   1.016
   55    HA   SER   8           HA       SER   8  -8.526  -4.014   0.710
   56   1HB   SER   8          2HB       SER   8  -8.780  -2.772   3.324
   57   2HB   SER   8          1HB       SER   8 -10.360  -3.018   2.573
   58    HG   SER   8           HG       SER   8  -9.520  -5.232   2.143
   59    H    SER   9           H        SER   9 -11.194  -3.429   0.864
   60    HA   SER   9           HA       SER   9 -11.450  -1.423  -1.245
   61   1HB   SER   9          2HB       SER   9 -12.400  -3.803  -1.419
   62   2HB   SER   9          1HB       SER   9 -13.637  -3.262  -0.285
   63    HG   SER   9           HG       SER   9 -13.244  -2.592  -2.949
   64    H    GLN  10           H        GLN  10 -11.160  -0.815   1.693
   65    HA   GLN  10           HA       GLN  10 -13.680   0.172   2.591
   66   1HB   GLN  10          2HB       GLN  10 -10.862   0.322   3.518
   67   2HB   GLN  10          1HB       GLN  10 -11.981   1.541   4.125
   68   1HG   GLN  10          2HG       GLN  10 -13.049  -1.157   4.248
   69   2HG   GLN  10          1HG       GLN  10 -11.563  -0.957   5.177
   70   1HE2  GLN  10          1HE2      GLN  10 -13.264  -1.489   6.866
   71   2HE2  GLN  10          2HE2      GLN  10 -14.047  -0.135   7.618
   72    H    ALA  11           H        ALA  11 -13.475   2.660   3.421
   73    HA   ALA  11           HA       ALA  11 -13.960   4.245   1.194
   74   1HB   ALA  11          1HB       ALA  11 -14.522   4.606   3.707
   75   2HB   ALA  11          2HB       ALA  11 -14.282   6.001   2.656
   76   3HB   ALA  11          3HB       ALA  11 -12.990   5.477   3.736
   77    HA   PRO  12           HA       PRO  12  -9.718   4.562  -0.387
   78   1HB   PRO  12          2HB       PRO  12 -11.227   6.683  -1.877
   79   2HB   PRO  12          1HB       PRO  12 -10.019   5.535  -2.475
   80   1HG   PRO  12          2HG       PRO  12 -12.557   5.032  -2.919
   81   2HG   PRO  12          1HG       PRO  12 -11.493   3.726  -2.346
   82   1HD   PRO  12          2HD       PRO  12 -13.525   5.317  -0.824
   83   2HD   PRO  12          1HD       PRO  12 -13.133   3.585  -0.717
   84    H    THR  13           H        THR  13  -8.238   6.479  -0.773
   85    HA   THR  13           HA       THR  13  -8.825   8.909   0.660
   86    HB   THR  13           HB       THR  13  -6.358   7.939   1.786
   87    HG1  THR  13           1HG      THR  13  -8.619   6.365   2.435
   88   1HG2  THR  13          1HG2      THR  13  -8.858   9.144   2.709
   89   2HG2  THR  13          2HG2      THR  13  -7.191   9.453   3.196
   90   3HG2  THR  13          3HG2      THR  13  -8.068   8.081   3.874
   91    H    THR  14           H        THR  14  -7.542  10.588   0.015
   92    HA   THR  14           HA       THR  14  -5.364   9.938  -1.861
   93    HB   THR  14           HB       THR  14  -7.168  12.345  -2.037
   94    HG1  THR  14           1HG      THR  14  -8.525  11.191  -3.134
   95   1HG2  THR  14          1HG2      THR  14  -4.759  11.815  -3.303
   96   2HG2  THR  14          2HG2      THR  14  -5.958  13.025  -3.757
   97   3HG2  THR  14          3HG2      THR  14  -5.996  11.424  -4.497
   98    H    LYS  15           H        LYS  15  -6.000  11.225   1.095
   99    HA   LYS  15           HA       LYS  15  -4.282  13.529   0.990
  100   1HB   LYS  15          2HB       LYS  15  -6.279  13.070   2.585
  101   2HB   LYS  15          1HB       LYS  15  -5.113  12.147   3.521
  102   1HG   LYS  15          2HG       LYS  15  -3.837  14.036   4.021
  103   2HG   LYS  15          1HG       LYS  15  -4.576  14.985   2.729
  104   1HD   LYS  15          2HD       LYS  15  -6.650  14.124   4.464
  105   2HD   LYS  15          1HD       LYS  15  -5.352  14.784   5.463
  106   1HE   LYS  15          2HE       LYS  15  -6.318  16.761   5.019
  107   2HE   LYS  15          1HE       LYS  15  -5.478  16.628   3.474
  108   1HZ   LYS  15          1HZ       LYS  15  -7.501  15.550   2.582
  109   2HZ   LYS  15          2HZ       LYS  15  -7.756  17.150   3.068
  110   3HZ   LYS  15          3HZ       LYS  15  -8.293  15.877   4.042
  111    H    THR  16           H        THR  16  -2.317  13.757   2.225
  112    HA   THR  16           HA       THR  16  -0.588  11.477   1.903
  113    HB   THR  16           HB       THR  16   0.459  13.834   3.333
  114    HG1  THR  16           1HG      THR  16  -0.536  15.182   2.071
  115   1HG2  THR  16          1HG2      THR  16   2.195  12.611   2.544
  116   2HG2  THR  16          2HG2      THR  16   1.962  13.691   1.171
  117   3HG2  THR  16          3HG2      THR  16   1.309  12.054   1.125
  118    H    CYS  17           H        CYS  17   1.194  11.512   3.881
  119    HA   CYS  17           HA       CYS  17  -0.353  10.526   6.152
  120   1HB   CYS  17          2HB       CYS  17   2.619  10.289   5.644
  121   2HB   CYS  17          1HB       CYS  17   1.676   9.403   6.844
  122    H    SER  18           H        SER  18   1.252  10.775   8.267
  123    HA   SER  18           HA       SER  18   0.864  13.409   9.121
  124   1HB   SER  18          2HB       SER  18   1.744  12.726  11.158
  125   2HB   SER  18          1HB       SER  18   1.240  11.187  10.466
  126    HG   SER  18           HG       SER  18   3.730  12.066  11.108
  127    H    GLY  19           H        GLY  19   3.927  11.743   8.351
  128   1HA   GLY  19          2HA       GLY  19   5.025  13.988   7.016
  129   2HA   GLY  19          1HA       GLY  19   5.625  13.924   8.672
  130    H    GLU  20           H        GLU  20   5.090  11.655   5.967
  131    HA   GLU  20           HA       GLU  20   7.643  10.375   6.654
  132   1HB   GLU  20          2HB       GLU  20   5.079   9.404   5.601
  133   2HB   GLU  20          1HB       GLU  20   6.490   8.749   4.769
  134   1HG   GLU  20          2HG       GLU  20   6.309   7.202   6.406
  135   2HG   GLU  20          1HG       GLU  20   7.305   8.376   7.265
  136    H    THR  21           H        THR  21   8.372   9.173   4.364
  137    HA   THR  21           HA       THR  21   8.761  11.409   2.488
  138    HB   THR  21           HB       THR  21  10.710   9.166   3.008
  139    HG1  THR  21           1HG      THR  21  11.821  10.602   4.288
  140   1HG2  THR  21          1HG2      THR  21  11.815   9.950   1.268
  141   2HG2  THR  21          2HG2      THR  21  11.996  11.489   2.109
  142   3HG2  THR  21          3HG2      THR  21  10.620  11.226   1.036
  143    H    ASN  22           H        ASN  22   9.304   7.899   2.450
  144    HA   ASN  22           HA       ASN  22   8.148   7.818  -0.245
  145   1HB   ASN  22          2HB       ASN  22   9.420   5.397   0.921
  146   2HB   ASN  22          1HB       ASN  22   9.495   6.031  -0.724
  147   1HD2  ASN  22          1HD2      ASN  22  11.379   5.279   1.706
  148   2HD2  ASN  22          2HD2      ASN  22  12.606   6.501   1.584
  149    H    CYS  23           H        CYS  23   6.722   6.082  -0.831
  150    HA   CYS  23           HA       CYS  23   5.095   5.104   1.417
  151   1HB   CYS  23          2HB       CYS  23   4.364   6.364  -1.168
  152   2HB   CYS  23          1HB       CYS  23   3.366   5.006  -0.653
  153    H    TYR  24           H        TYR  24   3.549   3.236   0.175
  154    HA   TYR  24           HA       TYR  24   5.166   1.554  -1.513
  155   1HB   TYR  24          2HB       TYR  24   5.204  -0.364   0.057
  156   2HB   TYR  24          1HB       TYR  24   6.171   1.002   0.613
  157    HD1  TYR  24           1HD      TYR  24   5.927   1.707   2.805
  158    HD2  TYR  24           2HD      TYR  24   2.736  -0.425   0.970
  159    HE1  TYR  24           1HE      TYR  24   4.716   1.691   4.945
  160    HE2  TYR  24           2HE      TYR  24   1.515  -0.446   3.105
  161    HH   TYR  24           HH       TYR  24   2.836   0.067   5.983
  162    H    LYS  25           H        LYS  25   4.095  -0.693  -1.678
  163    HA   LYS  25           HA       LYS  25   1.212  -0.668  -1.372
  164   1HB   LYS  25          2HB       LYS  25   2.121   0.354  -3.695
  165   2HB   LYS  25          1HB       LYS  25   2.116  -1.357  -4.113
  166   1HG   LYS  25          2HG       LYS  25  -0.299  -0.095  -2.887
  167   2HG   LYS  25          1HG       LYS  25   0.031   0.076  -4.611
  168   1HD   LYS  25          2HD       LYS  25   0.393  -2.575  -4.323
  169   2HD   LYS  25          1HD       LYS  25  -0.808  -2.293  -3.062
  170   1HE   LYS  25          2HE       LYS  25  -2.344  -2.424  -4.673
  171   2HE   LYS  25          1HE       LYS  25  -1.766  -0.849  -5.216
  172   1HZ   LYS  25          1HZ       LYS  25  -1.361  -3.475  -6.383
  173   2HZ   LYS  25          2HZ       LYS  25  -0.006  -2.463  -6.394
  174   3HZ   LYS  25          3HZ       LYS  25  -1.444  -1.959  -7.129
  175    H    LYS  26           H        LYS  26   0.688  -2.623  -0.636
  176    HA   LYS  26           HA       LYS  26   2.340  -4.913  -1.473
  177   1HB   LYS  26          2HB       LYS  26   1.261  -5.726   0.900
  178   2HB   LYS  26          1HB       LYS  26   2.866  -5.047   0.704
  179   1HG   LYS  26          2HG       LYS  26   2.115  -2.880   1.365
  180   2HG   LYS  26          1HG       LYS  26   0.432  -3.409   1.354
  181   1HD   LYS  26          2HD       LYS  26   0.973  -5.017   3.161
  182   2HD   LYS  26          1HD       LYS  26   2.611  -4.362   3.209
  183   1HE   LYS  26          2HE       LYS  26   0.679  -2.237   3.363
  184   2HE   LYS  26          1HE       LYS  26   0.355  -3.447   4.602
  185   1HZ   LYS  26          1HZ       LYS  26   3.121  -2.565   4.239
  186   2HZ   LYS  26          2HZ       LYS  26   2.317  -3.043   5.648
  187   3HZ   LYS  26          3HZ       LYS  26   2.047  -1.504   5.004
  188    H    TRP  27           H        TRP  27   1.316  -6.927  -1.717
  189    HA   TRP  27           HA       TRP  27  -1.524  -7.182  -1.436
  190   1HB   TRP  27          2HB       TRP  27  -1.968  -7.696  -3.819
  191   2HB   TRP  27          1HB       TRP  27  -1.547  -6.025  -3.553
  192    HD1  TRP  27           HD       TRP  27  -0.549  -9.028  -5.411
  193    HE1  TRP  27           1HE      TRP  27   1.454  -8.510  -6.921
  194    HE3  TRP  27           3HE      TRP  27   0.673  -4.440  -3.569
  195    HZ2  TRP  27           2HZ      TRP  27   3.325  -6.426  -7.295
  196    HZ3  TRP  27           3HZ      TRP  27   2.579  -3.241  -4.557
  197    HH2  TRP  27           HH       TRP  27   3.877  -4.214  -6.381
  198    H    TRP  28           H        TRP  28  -2.293  -9.306  -2.247
  199    HA   TRP  28           HA       TRP  28  -0.326 -11.357  -2.717
  200   1HB   TRP  28          2HB       TRP  28  -0.995 -12.671  -0.669
  201   2HB   TRP  28          1HB       TRP  28  -0.038 -11.231  -0.340
  202    HD1  TRP  28           HD       TRP  28  -3.484 -12.685   0.156
  203    HE1  TRP  28           1HE      TRP  28  -4.758 -11.197   1.786
  204    HE3  TRP  28           3HE      TRP  28  -0.203  -8.776   0.482
  205    HZ2  TRP  28           2HZ      TRP  28  -4.459  -8.713   3.077
  206    HZ3  TRP  28           3HZ      TRP  28  -0.777  -6.883   1.942
  207    HH2  TRP  28           HH       TRP  28  -2.865  -6.855   3.213
  208    H    SER  29           H        SER  29  -1.476 -13.591  -2.539
  209    HA   SER  29           HA       SER  29  -4.235 -13.319  -3.539
  210   1HB   SER  29          2HB       SER  29  -2.198 -13.961  -5.171
  211   2HB   SER  29          1HB       SER  29  -2.585 -15.573  -4.557
  212    HG   SER  29           HG       SER  29  -3.878 -14.134  -6.399
  213    H    ASP  30           H        ASP  30  -5.219 -13.921  -1.635
  214    HA   ASP  30           HA       ASP  30  -4.390 -16.277  -0.202
  215   1HB   ASP  30          2HB       ASP  30  -5.698 -14.020   0.547
  216   2HB   ASP  30          1HB       ASP  30  -7.053 -15.136   0.376
  217    H    HIS  31           H        HIS  31  -6.885 -17.340   0.531
  218    HA   HIS  31           HA       HIS  31  -7.363 -19.058  -1.726
  219   1HB   HIS  31          2HB       HIS  31  -9.029 -20.136  -0.147
  220   2HB   HIS  31          1HB       HIS  31  -7.355 -20.127   0.397
  221    HD1  HIS  31           1HD      HIS  31 -10.455 -17.959   0.868
  222    HD2  HIS  31           2HD      HIS  31  -7.105 -19.272   2.947
  223    HE1  HIS  31           1HE      HIS  31 -10.713 -17.053   3.199
  224    HE2  HIS  31           2HE      HIS  31  -8.721 -17.938   4.463
  225    H    ARG  32           H        ARG  32  -8.982 -16.381  -0.173
  226    HA   ARG  32           HA       ARG  32 -11.473 -16.775  -1.557
  227   1HB   ARG  32          2HB       ARG  32 -10.371 -14.837   0.389
  228   2HB   ARG  32          1HB       ARG  32 -11.616 -14.214  -0.695
  229   1HG   ARG  32          2HG       ARG  32 -12.948 -16.311   0.017
  230   2HG   ARG  32          1HG       ARG  32 -11.812 -16.369   1.368
  231   1HD   ARG  32          2HD       ARG  32 -13.260 -13.837   0.686
  232   2HD   ARG  32          1HD       ARG  32 -14.040 -15.087   1.654
  233    HE   ARG  32           HE       ARG  32 -11.920 -13.319   2.474
  234   1HH1  ARG  32          1HH1      ARG  32 -13.526 -16.356   3.089
  235   2HH1  ARG  32          2HH1      ARG  32 -13.024 -16.430   4.744
  236   1HH2  ARG  32          1HH2      ARG  32 -11.260 -13.413   4.652
  237   2HH2  ARG  32          2HH2      ARG  32 -11.739 -14.759   5.632
  238    H    GLY  33           H        GLY  33  -8.567 -14.862  -2.014
  239   1HA   GLY  33          2HA       GLY  33  -8.752 -14.610  -4.745
  240   2HA   GLY  33          1HA       GLY  33  -9.639 -13.227  -4.106
  241    H    THR  34           H        THR  34  -8.455 -11.448  -4.076
  242    HA   THR  34           HA       THR  34  -5.674 -11.618  -3.163
  243    HB   THR  34           HB       THR  34  -5.772 -11.558  -5.678
  244    HG1  THR  34           1HG      THR  34  -3.893 -10.819  -4.964
  245   1HG2  THR  34          1HG2      THR  34  -7.702  -9.693  -5.451
  246   2HG2  THR  34          2HG2      THR  34  -6.687  -9.905  -6.878
  247   3HG2  THR  34          3HG2      THR  34  -6.283  -8.671  -5.683
  248    H    ILE  35           H        ILE  35  -4.873  -9.762  -2.150
  249    HA   ILE  35           HA       ILE  35  -6.810  -7.598  -1.673
  250    HB   ILE  35           HB       ILE  35  -5.086  -8.734   0.522
  251   1HG1  ILE  35          2HG1      ILE  35  -8.038  -9.234   0.097
  252   2HG1  ILE  35          1HG1      ILE  35  -6.777 -10.394  -0.311
  253   1HG2  ILE  35          1HG2      ILE  35  -7.416  -6.824   0.512
  254   2HG2  ILE  35          2HG2      ILE  35  -5.731  -6.441   0.863
  255   3HG2  ILE  35          3HG2      ILE  35  -6.648  -7.468   1.964
  256   1HD1  ILE  35          1HD1      ILE  35  -6.875 -11.172   1.752
  257   2HD1  ILE  35          2HD1      ILE  35  -8.060  -9.939   2.186
  258   3HD1  ILE  35          3HD1      ILE  35  -6.336  -9.605   2.356
  259    H    ILE  36           H        ILE  36  -5.852  -5.570  -1.031
  260    HA   ILE  36           HA       ILE  36  -2.951  -5.376  -1.385
  261    HB   ILE  36           HB       ILE  36  -3.141  -3.501  -2.926
  262   1HG1  ILE  36          2HG1      ILE  36  -6.114  -4.069  -2.855
  263   2HG1  ILE  36          1HG1      ILE  36  -5.318  -2.632  -2.225
  264   1HG2  ILE  36          1HG2      ILE  36  -3.513  -6.154  -3.538
  265   2HG2  ILE  36          2HG2      ILE  36  -3.133  -4.871  -4.686
  266   3HG2  ILE  36          3HG2      ILE  36  -4.808  -5.355  -4.427
  267   1HD1  ILE  36          1HD1      ILE  36  -4.924  -3.296  -5.088
  268   2HD1  ILE  36          2HD1      ILE  36  -5.016  -1.728  -4.287
  269   3HD1  ILE  36          3HD1      ILE  36  -6.487  -2.655  -4.580
  270    H    GLU  37           H        GLU  37  -2.026  -4.029   0.046
  271    HA   GLU  37           HA       GLU  37  -3.726  -2.019   1.357
  272   1HB   GLU  37          2HB       GLU  37  -1.813  -2.528   3.236
  273   2HB   GLU  37          1HB       GLU  37  -3.432  -3.225   3.237
  274   1HG   GLU  37          2HG       GLU  37  -2.641  -5.234   2.239
  275   2HG   GLU  37          1HG       GLU  37  -1.052  -4.532   1.943
  276    H    ARG  38           H        ARG  38  -2.403  -0.255   2.398
  277    HA   ARG  38           HA       ARG  38   0.162   0.229   1.091
  278   1HB   ARG  38          2HB       ARG  38  -2.306   1.901   0.734
  279   2HB   ARG  38          1HB       ARG  38  -0.711   2.625   0.610
  280   1HG   ARG  38          2HG       ARG  38  -1.187   2.132  -1.584
  281   2HG   ARG  38          1HG       ARG  38  -0.256   0.717  -1.092
  282   1HD   ARG  38          2HD       ARG  38  -1.972  -0.636  -1.509
  283   2HD   ARG  38          1HD       ARG  38  -3.054   0.343  -0.519
  284    HE   ARG  38           HE       ARG  38  -3.041   0.223  -3.319
  285   1HH1  ARG  38          1HH1      ARG  38  -3.147   2.640  -0.803
  286   2HH1  ARG  38          2HH1      ARG  38  -4.102   3.737  -1.734
  287   1HH2  ARG  38          1HH2      ARG  38  -4.322   1.652  -4.521
  288   2HH2  ARG  38          2HH2      ARG  38  -4.770   3.180  -3.841
  289    H    GLY  39           H        GLY  39   0.823   2.653   1.857
  290   1HA   GLY  39          2HA       GLY  39   0.009   3.621   4.332
  291   2HA   GLY  39          1HA       GLY  39   1.244   2.413   4.653
  292    H    CYS  40           H        CYS  40   2.820   3.771   5.398
  293    HA   CYS  40           HA       CYS  40   4.063   5.483   3.370
  294   1HB   CYS  40          2HB       CYS  40   2.783   6.388   5.813
  295   2HB   CYS  40          1HB       CYS  40   4.492   6.829   5.786
  296    H    GLY  41           H        GLY  41   6.089   4.846   3.109
  297   1HA   GLY  41          2HA       GLY  41   8.263   4.809   4.439
  298   2HA   GLY  41          1HA       GLY  41   7.460   3.554   5.381
  299    H    CYS  42           H        CYS  42   9.104   2.062   4.839
  300    HA   CYS  42           HA       CYS  42   8.574   0.626   2.410
  301   1HB   CYS  42          2HB       CYS  42  10.149   2.364   1.613
  302   2HB   CYS  42          1HB       CYS  42  11.334   1.811   2.800
  303    HA   PRO  43           HA       PRO  43  10.274  -1.779   6.057
  304   1HB   PRO  43          2HB       PRO  43   8.029  -2.964   6.916
  305   2HB   PRO  43          1HB       PRO  43   8.453  -1.316   7.411
  306   1HG   PRO  43          2HG       PRO  43   6.519  -2.230   5.315
  307   2HG   PRO  43          1HG       PRO  43   6.342  -0.933   6.515
  308   1HD   PRO  43          2HD       PRO  43   7.044  -0.520   3.888
  309   2HD   PRO  43          1HD       PRO  43   7.469   0.580   5.219
  310    H    LYS  44           H        LYS  44  10.047  -4.208   6.418
  311    HA   LYS  44           HA       LYS  44  10.204  -5.512   3.844
  312   1HB   LYS  44          2HB       LYS  44  11.588  -5.846   6.142
  313   2HB   LYS  44          1HB       LYS  44  10.395  -7.126   6.319
  314   1HG   LYS  44          2HG       LYS  44  11.288  -8.374   4.671
  315   2HG   LYS  44          1HG       LYS  44  11.728  -6.970   3.697
  316   1HD   LYS  44          2HD       LYS  44  13.428  -6.625   5.733
  317   2HD   LYS  44          1HD       LYS  44  13.257  -8.380   5.807
  318   1HE   LYS  44          2HE       LYS  44  14.916  -8.347   4.284
  319   2HE   LYS  44          1HE       LYS  44  13.598  -8.038   3.154
  320   1HZ   LYS  44          1HZ       LYS  44  14.026  -5.616   3.554
  321   2HZ   LYS  44          2HZ       LYS  44  15.254  -6.435   2.728
  322   3HZ   LYS  44          3HZ       LYS  44  15.442  -6.061   4.367
  323    H    VAL  45           H        VAL  45   9.358  -8.045   4.264
  324    HA   VAL  45           HA       VAL  45   6.629  -8.005   5.251
  325    HB   VAL  45           HB       VAL  45   5.791  -8.989   3.062
  326   1HG1  VAL  45          1HG1      VAL  45   6.641  -6.097   3.137
  327   2HG1  VAL  45          2HG1      VAL  45   5.154  -6.771   3.802
  328   3HG1  VAL  45          3HG1      VAL  45   5.420  -6.771   2.058
  329   1HG2  VAL  45          1HG2      VAL  45   8.385  -9.014   2.323
  330   2HG2  VAL  45          2HG2      VAL  45   7.866  -7.491   1.601
  331   3HG2  VAL  45          3HG2      VAL  45   7.041  -8.992   1.182
  332    H    LYS  46           H        LYS  46   5.594 -10.216   4.905
  333    HA   LYS  46           HA       LYS  46   7.430 -12.188   5.829
  334   1HB   LYS  46          2HB       LYS  46   5.120 -13.577   5.555
  335   2HB   LYS  46          1HB       LYS  46   5.538 -12.632   6.974
  336   1HG   LYS  46          2HG       LYS  46   4.224 -10.784   6.198
  337   2HG   LYS  46          1HG       LYS  46   3.921 -11.591   4.659
  338   1HD   LYS  46          2HD       LYS  46   2.578 -13.251   5.695
  339   2HD   LYS  46          1HD       LYS  46   3.092 -12.756   7.309
  340   1HE   LYS  46          2HE       LYS  46   1.718 -10.926   7.334
  341   2HE   LYS  46          1HE       LYS  46   1.754 -10.740   5.582
  342   1HZ   LYS  46          1HZ       LYS  46  -0.308 -11.584   5.753
  343   2HZ   LYS  46          2HZ       LYS  46  -0.014 -12.337   7.237
  344   3HZ   LYS  46          3HZ       LYS  46   0.497 -13.072   5.803
  345    HA   PRO  47           HA       PRO  47   7.928 -14.468   2.097
  346   1HB   PRO  47          2HB       PRO  47   7.640 -17.083   2.985
  347   2HB   PRO  47          1HB       PRO  47   9.096 -16.117   3.106
  348   1HG   PRO  47          2HG       PRO  47   7.376 -17.008   5.181
  349   2HG   PRO  47          1HG       PRO  47   8.912 -16.155   5.314
  350   1HD   PRO  47          2HD       PRO  47   6.224 -15.136   5.629
  351   2HD   PRO  47          1HD       PRO  47   7.774 -14.344   5.968
  352    H    GLY  48           H        GLY  48   6.410 -14.273   0.570
  353   1HA   GLY  48          2HA       GLY  48   4.810 -15.784  -0.639
  354   2HA   GLY  48          1HA       GLY  48   3.924 -15.844   0.885
  355    H    VAL  49           H        VAL  49   4.577 -12.944   1.338
  356    HA   VAL  49           HA       VAL  49   2.345 -11.889  -0.220
  357    HB   VAL  49           HB       VAL  49   3.806 -10.447   1.984
  358   1HG1  VAL  49          1HG1      VAL  49   1.812  -9.162   2.187
  359   2HG1  VAL  49          2HG1      VAL  49   0.936 -10.240   1.100
  360   3HG1  VAL  49          3HG1      VAL  49   2.228  -9.216   0.473
  361   1HG2  VAL  49          1HG2      VAL  49   3.116 -12.621   2.855
  362   2HG2  VAL  49          2HG2      VAL  49   1.474 -12.341   2.277
  363   3HG2  VAL  49          3HG2      VAL  49   2.145 -11.325   3.553
  364    H    ASN  50           H        ASN  50   2.476  -9.925  -1.386
  365    HA   ASN  50           HA       ASN  50   5.198  -9.311  -2.316
  366   1HB   ASN  50          2HB       ASN  50   2.786  -8.334  -3.778
  367   2HB   ASN  50          1HB       ASN  50   4.358  -8.822  -4.408
  368   1HD2  ASN  50          1HD2      ASN  50   1.161  -9.742  -3.829
  369   2HD2  ASN  50          2HD2      ASN  50   1.303 -11.415  -4.275
  370    H    LEU  51           H        LEU  51   5.888  -7.180  -2.531
  371    HA   LEU  51           HA       LEU  51   4.240  -4.973  -1.734
  372   1HB   LEU  51          2HB       LEU  51   4.754  -5.782   0.459
  373   2HB   LEU  51          1HB       LEU  51   6.449  -5.974   0.054
  374    HG   LEU  51           HG       LEU  51   6.402  -3.396  -0.304
  375   1HD1  LEU  51          1HD1      LEU  51   4.750  -2.171   0.767
  376   2HD1  LEU  51          2HD1      LEU  51   4.190  -3.557   1.703
  377   3HD1  LEU  51          3HD1      LEU  51   3.843  -3.459  -0.023
  378   1HD2  LEU  51          1HD2      LEU  51   6.109  -4.084   2.561
  379   2HD2  LEU  51          2HD2      LEU  51   7.391  -3.203   1.729
  380   3HD2  LEU  51          3HD2      LEU  51   7.326  -4.964   1.634
  381    H    ASN  52           H        ASN  52   5.169  -2.962  -2.250
  382    HA   ASN  52           HA       ASN  52   7.907  -2.870  -3.182
  383   1HB   ASN  52          2HB       ASN  52   7.553  -2.505  -5.434
  384   2HB   ASN  52          1HB       ASN  52   6.303  -3.690  -5.085
  385   1HD2  ASN  52          1HD2      ASN  52   4.280  -2.347  -4.056
  386   2HD2  ASN  52          2HD2      ASN  52   3.712  -1.121  -5.131
  387    H    CYS  53           H        CYS  53   8.772  -1.011  -2.571
  388    HA   CYS  53           HA       CYS  53   7.091   1.144  -1.643
  389   1HB   CYS  53          2HB       CYS  53  10.087   1.267  -1.786
  390   2HB   CYS  53          1HB       CYS  53   8.997   1.991  -0.609
  391    H    CYS  54           H        CYS  54   7.333   3.344  -2.345
  392    HA   CYS  54           HA       CYS  54   8.772   3.958  -4.753
  393   1HB   CYS  54          2HB       CYS  54   6.651   4.698  -5.963
  394   2HB   CYS  54          1HB       CYS  54   6.980   2.967  -5.922
  395    H    ARG  55           H        ARG  55   8.523   6.127  -5.431
  396    HA   ARG  55           HA       ARG  55   7.695   7.902  -3.257
  397   1HB   ARG  55          2HB       ARG  55   9.848   8.976  -4.810
  398   2HB   ARG  55          1HB       ARG  55   9.777   8.632  -3.093
  399   1HG   ARG  55          2HG       ARG  55  10.318   6.232  -3.707
  400   2HG   ARG  55          1HG       ARG  55  10.725   6.860  -5.310
  401   1HD   ARG  55          2HD       ARG  55  12.739   7.411  -4.557
  402   2HD   ARG  55          1HD       ARG  55  11.995   8.525  -3.412
  403    HE   ARG  55           HE       ARG  55  11.882   5.916  -2.373
  404   1HH1  ARG  55          1HH1      ARG  55  14.198   8.433  -3.065
  405   2HH1  ARG  55          2HH1      ARG  55  15.293   7.939  -1.819
  406   1HH2  ARG  55          1HH2      ARG  55  13.320   5.266  -0.732
  407   2HH2  ARG  55          2HH2      ARG  55  14.795   6.141  -0.493
  408    H    THR  56           H        THR  56   6.093   7.213  -5.536
  409    HA   THR  56           HA       THR  56   6.056   9.811  -6.931
  410    HB   THR  56           HB       THR  56   4.699   8.124  -8.617
  411    HG1  THR  56           1HG      THR  56   5.492   6.183  -8.521
  412   1HG2  THR  56          1HG2      THR  56   6.120   9.189  -9.936
  413   2HG2  THR  56          2HG2      THR  56   7.300   7.942  -9.531
  414   3HG2  THR  56          3HG2      THR  56   7.261   9.449  -8.618
  415    H    ASP  57           H        ASP  57   4.006  10.698  -7.417
  416    HA   ASP  57           HA       ASP  57   2.063  10.368  -5.410
  417   1HB   ASP  57          2HB       ASP  57   2.477  12.425  -6.860
  418   2HB   ASP  57          1HB       ASP  57   1.552  11.602  -8.118
  419    H    ARG  58           H        ARG  58   0.456   8.950  -5.195
  420    HA   ARG  58           HA       ARG  58  -1.019   7.271  -5.631
  421   1HB   ARG  58          2HB       ARG  58  -0.967   8.204  -8.503
  422   2HB   ARG  58          1HB       ARG  58  -2.268   7.353  -7.670
  423   1HG   ARG  58          2HG       ARG  58  -2.631   9.316  -6.251
  424   2HG   ARG  58          1HG       ARG  58  -1.342  10.164  -7.106
  425   1HD   ARG  58          2HD       ARG  58  -3.002   9.246  -9.126
  426   2HD   ARG  58          1HD       ARG  58  -4.115   9.750  -7.855
  427    HE   ARG  58           HE       ARG  58  -2.053  11.672  -8.423
  428   1HH1  ARG  58          1HH1      ARG  58  -5.231  10.536  -9.312
  429   2HH1  ARG  58          2HH1      ARG  58  -5.715  12.049 -10.002
  430   1HH2  ARG  58          1HH2      ARG  58  -2.689  13.663  -9.328
  431   2HH2  ARG  58          2HH2      ARG  58  -4.273  13.824 -10.011
  432    H    CYS  59           H        CYS  59   1.872   6.860  -5.929
  433    HA   CYS  59           HA       CYS  59   2.331   5.092  -8.109
  434   1HB   CYS  59          2HB       CYS  59   4.478   4.731  -7.115
  435   2HB   CYS  59          1HB       CYS  59   4.085   6.439  -6.946
  436    H    ASN  60           H        ASN  60   0.580   4.686  -5.279
  437    HA   ASN  60           HA       ASN  60   1.089   1.782  -5.278
  438   1HB   ASN  60          2HB       ASN  60   0.206   1.823  -2.936
  439   2HB   ASN  60          1HB       ASN  60   1.709   2.722  -3.154
  440   1HD2  ASN  60          1HD2      ASN  60   0.890   3.613  -1.065
  441   2HD2  ASN  60          2HD2      ASN  60  -0.134   5.013  -1.150
  442    H    ASN  61           H        ASN  61  -0.910   3.645  -6.770
  443    HA   ASN  61           HA       ASN  61  -3.458   2.725  -5.819
  444   1HB   ASN  61          2HB       ASN  61  -4.386   4.187  -7.348
  445   2HB   ASN  61          1HB       ASN  61  -2.837   4.953  -7.055
  446   1HD2  ASN  61          1HD2      ASN  61  -1.285   3.135  -8.606
  447   2HD2  ASN  61          2HD2      ASN  61  -1.652   3.436 -10.274
  Start of MODEL    9
    1   1H    LEU   1          1HT       LEU   1   3.638  16.072   0.413
    2   2H    LEU   1          2HT       LEU   1   5.281  15.679   0.108
    3   3H    LEU   1          3HT       LEU   1   4.409  14.843   1.327
    4    HA   LEU   1           HA       LEU   1   4.155  14.677  -1.583
    5   1HB   LEU   1          2HB       LEU   1   5.700  13.288   0.003
    6   2HB   LEU   1          1HB       LEU   1   4.218  12.463   0.436
    7    HG   LEU   1           HG       LEU   1   5.834  11.574  -1.459
    8   1HD1  LEU   1          1HD1      LEU   1   3.343  10.962  -2.534
    9   2HD1  LEU   1          2HD1      LEU   1   3.065  11.227  -0.813
   10   3HD1  LEU   1          3HD1      LEU   1   4.257  10.039  -1.341
   11   1HD2  LEU   1          1HD2      LEU   1   5.711  13.555  -2.863
   12   2HD2  LEU   1          2HD2      LEU   1   3.965  13.363  -2.998
   13   3HD2  LEU   1          3HD2      LEU   1   5.040  12.150  -3.689
   14    H    GLU   2           H        GLU   2   2.521  12.789  -2.059
   15    HA   GLU   2           HA       GLU   2   0.133  12.933  -0.403
   16   1HB   GLU   2          2HB       GLU   2   0.343  14.697  -2.476
   17   2HB   GLU   2          1HB       GLU   2  -0.454  13.340  -3.260
   18   1HG   GLU   2          2HG       GLU   2  -1.965  13.485  -1.076
   19   2HG   GLU   2          1HG       GLU   2  -1.437  15.165  -1.153
   20    H    CYS   3           H        CYS   3   0.448  10.732  -0.021
   21    HA   CYS   3           HA       CYS   3   0.166   8.968  -2.357
   22   1HB   CYS   3          2HB       CYS   3   1.618   8.735   0.216
   23   2HB   CYS   3          1HB       CYS   3   0.844   7.264  -0.377
   24    H    HIS   4           H        HIS   4  -0.817   6.721  -1.436
   25    HA   HIS   4           HA       HIS   4  -3.464   7.474  -0.423
   26   1HB   HIS   4          2HB       HIS   4  -2.484   5.077  -1.976
   27   2HB   HIS   4          1HB       HIS   4  -4.099   5.161  -1.267
   28    HD1  HIS   4           1HD      HIS   4  -5.390   7.544  -2.075
   29    HD2  HIS   4           2HD      HIS   4  -2.495   5.878  -4.547
   30    HE1  HIS   4           1HE      HIS   4  -5.830   8.497  -4.359
   31    HE2  HIS   4           2HE      HIS   4  -4.141   7.383  -5.860
   32    H    ASN   5           H        ASN   5  -4.490   5.323   0.675
   33    HA   ASN   5           HA       ASN   5  -2.819   3.784   2.343
   34   1HB   ASN   5          2HB       ASN   5  -3.273   4.836   4.512
   35   2HB   ASN   5          1HB       ASN   5  -2.395   5.937   3.447
   36   1HD2  ASN   5          1HD2      ASN   5  -3.574   7.627   2.416
   37   2HD2  ASN   5          2HD2      ASN   5  -5.018   8.256   3.148
   38    H    GLN   6           H        GLN   6  -4.875   3.033   0.780
   39    HA   GLN   6           HA       GLN   6  -6.844   2.121   2.748
   40   1HB   GLN   6          2HB       GLN   6  -8.698   2.530   1.204
   41   2HB   GLN   6          1HB       GLN   6  -7.875   4.028   1.612
   42   1HG   GLN   6          2HG       GLN   6  -8.200   4.236  -0.654
   43   2HG   GLN   6          1HG       GLN   6  -6.551   3.623  -0.565
   44   1HE2  GLN   6          1HE2      GLN   6  -7.117   3.101  -2.843
   45   2HE2  GLN   6          2HE2      GLN   6  -7.853   1.559  -3.151
   46    H    GLN   7           H        GLN   7  -8.127   0.266   1.959
   47    HA   GLN   7           HA       GLN   7  -6.493  -1.430   0.207
   48   1HB   GLN   7          2HB       GLN   7  -8.060  -3.228   1.348
   49   2HB   GLN   7          1HB       GLN   7  -6.609  -2.645   2.146
   50   1HG   GLN   7          2HG       GLN   7  -9.191  -1.251   2.645
   51   2HG   GLN   7          1HG       GLN   7  -8.895  -2.809   3.414
   52   1HE2  GLN   7          1HE2      GLN   7  -8.704   0.401   3.874
   53   2HE2  GLN   7          2HE2      GLN   7  -7.428   0.467   5.051
   54    H    SER   8           H        SER   8  -7.409  -2.517  -1.508
   55    HA   SER   8           HA       SER   8  -9.500  -1.333  -2.884
   56   1HB   SER   8          2HB       SER   8  -9.505  -3.346  -4.313
   57   2HB   SER   8          1HB       SER   8  -7.862  -2.781  -3.979
   58    HG   SER   8           HG       SER   8  -7.832  -4.391  -2.272
   59    H    SER   9           H        SER   9 -11.570  -1.215  -2.412
   60    HA   SER   9           HA       SER   9 -13.357  -3.260  -2.173
   61   1HB   SER   9          2HB       SER   9 -13.750  -2.899   0.466
   62   2HB   SER   9          1HB       SER   9 -12.737  -4.190  -0.179
   63    HG   SER   9           HG       SER   9 -11.235  -3.308   0.988
   64    H    GLN  10           H        GLN  10 -13.124  -0.662   0.230
   65    HA   GLN  10           HA       GLN  10 -15.650   0.414  -0.685
   66   1HB   GLN  10          2HB       GLN  10 -13.878   0.832   1.676
   67   2HB   GLN  10          1HB       GLN  10 -15.048   2.086   1.265
   68   1HG   GLN  10          2HG       GLN  10 -16.222  -0.553   1.239
   69   2HG   GLN  10          1HG       GLN  10 -15.482  -0.174   2.793
   70   1HE2  GLN  10          1HE2      GLN  10 -17.901   0.767   0.461
   71   2HE2  GLN  10          2HE2      GLN  10 -18.828   1.770   1.533
   72    H    ALA  11           H        ALA  11 -15.610   3.024  -0.392
   73    HA   ALA  11           HA       ALA  11 -14.391   4.007  -2.712
   74   1HB   ALA  11          1HB       ALA  11 -16.350   4.899  -1.093
   75   2HB   ALA  11          2HB       ALA  11 -15.553   5.896  -2.309
   76   3HB   ALA  11          3HB       ALA  11 -15.039   5.981  -0.624
   77    HA   PRO  12           HA       PRO  12 -10.115   4.189  -1.245
   78   1HB   PRO  12          2HB       PRO  12 -10.159   6.020  -3.621
   79   2HB   PRO  12          1HB       PRO  12  -8.940   4.827  -3.147
   80   1HG   PRO  12          2HG       PRO  12 -10.660   4.197  -5.033
   81   2HG   PRO  12          1HG       PRO  12 -10.293   3.021  -3.749
   82   1HD   PRO  12          2HD       PRO  12 -12.717   4.740  -4.105
   83   2HD   PRO  12          1HD       PRO  12 -12.590   3.070  -3.506
   84    H    THR  13           H        THR  13  -8.559   6.030  -0.830
   85    HA   THR  13           HA       THR  13  -9.684   8.653  -0.436
   86    HB   THR  13           HB       THR  13  -9.370   8.731   1.973
   87    HG1  THR  13           1HG      THR  13  -8.868   6.789   3.091
   88   1HG2  THR  13          1HG2      THR  13 -11.146   7.367   2.748
   89   2HG2  THR  13          2HG2      THR  13 -10.965   6.255   1.391
   90   3HG2  THR  13          3HG2      THR  13 -11.557   7.893   1.116
   91    H    THR  14           H        THR  14  -7.868   9.773   1.237
   92    HA   THR  14           HA       THR  14  -5.197   8.957   0.461
   93    HB   THR  14           HB       THR  14  -5.549  10.263  -1.440
   94    HG1  THR  14           1HG      THR  14  -3.694  11.010  -0.491
   95   1HG2  THR  14          1HG2      THR  14  -7.293  11.609  -1.602
   96   2HG2  THR  14          2HG2      THR  14  -6.409  12.795  -0.641
   97   3HG2  THR  14          3HG2      THR  14  -7.489  11.646   0.150
   98    H    LYS  15           H        LYS  15  -3.533  10.452   1.422
   99    HA   LYS  15           HA       LYS  15  -4.338  12.099   3.633
  100   1HB   LYS  15          2HB       LYS  15  -4.489   9.672   4.450
  101   2HB   LYS  15          1HB       LYS  15  -2.734   9.646   4.329
  102   1HG   LYS  15          2HG       LYS  15  -3.359  10.110   6.593
  103   2HG   LYS  15          1HG       LYS  15  -2.638  11.559   5.893
  104   1HD   LYS  15          2HD       LYS  15  -5.330  11.838   5.330
  105   2HD   LYS  15          1HD       LYS  15  -5.318  11.126   6.945
  106   1HE   LYS  15          2HE       LYS  15  -3.424  13.344   6.454
  107   2HE   LYS  15          1HE       LYS  15  -5.136  13.762   6.498
  108   1HZ   LYS  15          1HZ       LYS  15  -3.593  13.605   8.664
  109   2HZ   LYS  15          2HZ       LYS  15  -4.215  12.034   8.638
  110   3HZ   LYS  15          3HZ       LYS  15  -5.266  13.357   8.690
  111    H    THR  16           H        THR  16  -2.506  13.125   4.692
  112    HA   THR  16           HA       THR  16  -0.138  13.179   2.941
  113    HB   THR  16           HB       THR  16  -1.405  15.280   2.955
  114    HG1  THR  16           1HG      THR  16   1.068  15.423   4.333
  115   1HG2  THR  16          1HG2      THR  16  -0.731  15.528   5.871
  116   2HG2  THR  16          2HG2      THR  16  -2.323  15.068   5.265
  117   3HG2  THR  16          3HG2      THR  16  -1.654  16.652   4.872
  118    H    CYS  17           H        CYS  17   1.623  12.302   3.781
  119    HA   CYS  17           HA       CYS  17   1.816  11.749   6.602
  120   1HB   CYS  17          2HB       CYS  17   3.841  11.291   4.399
  121   2HB   CYS  17          1HB       CYS  17   3.909  10.616   6.028
  122    H    SER  18           H        SER  18   3.794  12.294   7.840
  123    HA   SER  18           HA       SER  18   4.181  15.055   7.991
  124   1HB   SER  18          2HB       SER  18   6.365  14.162   9.289
  125   2HB   SER  18          1HB       SER  18   4.748  14.107   9.989
  126    HG   SER  18           HG       SER  18   5.126  12.048  10.135
  127    H    GLY  19           H        GLY  19   6.842  12.787   7.327
  128   1HA   GLY  19          2HA       GLY  19   7.608  14.196   4.929
  129   2HA   GLY  19          1HA       GLY  19   8.671  14.512   6.299
  130    H    GLU  20           H        GLU  20   7.115  11.705   4.738
  131    HA   GLU  20           HA       GLU  20   9.368  10.024   5.417
  132   1HB   GLU  20          2HB       GLU  20   6.642   9.636   4.352
  133   2HB   GLU  20          1HB       GLU  20   7.849   8.496   3.756
  134   1HG   GLU  20          2HG       GLU  20   6.902   7.473   5.632
  135   2HG   GLU  20          1HG       GLU  20   8.457   8.096   6.183
  136    H    THR  21           H        THR  21  10.263   8.573   3.639
  137    HA   THR  21           HA       THR  21  11.268  10.290   1.537
  138    HB   THR  21           HB       THR  21  12.014   7.420   1.629
  139    HG1  THR  21           1HG      THR  21  13.304   7.727   3.437
  140   1HG2  THR  21          1HG2      THR  21  14.328   8.631   1.660
  141   2HG2  THR  21          2HG2      THR  21  13.377  10.008   1.107
  142   3HG2  THR  21          3HG2      THR  21  13.389   8.513   0.172
  143    H    ASN  22           H        ASN  22  10.056   6.954   1.516
  144    HA   ASN  22           HA       ASN  22   8.567   7.575  -0.943
  145   1HB   ASN  22          2HB       ASN  22   9.877   4.896  -0.640
  146   2HB   ASN  22          1HB       ASN  22   9.387   5.742  -2.110
  147   1HD2  ASN  22          1HD2      ASN  22  11.938   4.925  -0.115
  148   2HD2  ASN  22          2HD2      ASN  22  13.136   6.001  -0.765
  149    H    CYS  23           H        CYS  23   6.744   6.197  -1.346
  150    HA   CYS  23           HA       CYS  23   5.512   5.240   1.097
  151   1HB   CYS  23          2HB       CYS  23   4.337   5.423  -1.682
  152   2HB   CYS  23          1HB       CYS  23   3.467   5.253  -0.163
  153    H    TYR  24           H        TYR  24   3.776   3.325   0.029
  154    HA   TYR  24           HA       TYR  24   5.280   1.344  -1.394
  155   1HB   TYR  24          2HB       TYR  24   5.230  -0.363   0.388
  156   2HB   TYR  24          1HB       TYR  24   6.260   1.009   0.796
  157    HD1  TYR  24           1HD      TYR  24   3.123  -0.734   1.557
  158    HD2  TYR  24           2HD      TYR  24   5.674   2.503   2.612
  159    HE1  TYR  24           1HE      TYR  24   1.893  -0.460   3.669
  160    HE2  TYR  24           2HE      TYR  24   4.452   2.785   4.726
  161    HH   TYR  24           HH       TYR  24   3.031   1.541   6.213
  162    H    LYS  25           H        LYS  25   4.075  -0.810  -1.319
  163    HA   LYS  25           HA       LYS  25   1.240  -0.695  -0.889
  164   1HB   LYS  25          2HB       LYS  25   1.840   0.441  -3.196
  165   2HB   LYS  25          1HB       LYS  25   1.996  -1.230  -3.734
  166   1HG   LYS  25          2HG       LYS  25  -0.432  -0.939  -2.261
  167   2HG   LYS  25          1HG       LYS  25  -0.343   0.313  -3.499
  168   1HD   LYS  25          2HD       LYS  25   0.493  -1.844  -4.904
  169   2HD   LYS  25          1HD       LYS  25  -0.624  -2.605  -3.770
  170   1HE   LYS  25          2HE       LYS  25  -2.427  -1.694  -4.748
  171   2HE   LYS  25          1HE       LYS  25  -1.634  -0.136  -4.976
  172   1HZ   LYS  25          1HZ       LYS  25  -1.753  -0.757  -7.126
  173   2HZ   LYS  25          2HZ       LYS  25  -1.807  -2.412  -6.779
  174   3HZ   LYS  25          3HZ       LYS  25  -0.327  -1.592  -6.761
  175    H    LYS  26           H        LYS  26   0.843  -2.625  -0.067
  176    HA   LYS  26           HA       LYS  26   2.340  -4.934  -1.111
  177   1HB   LYS  26          2HB       LYS  26   1.393  -5.782   1.306
  178   2HB   LYS  26          1HB       LYS  26   2.997  -5.130   1.029
  179   1HG   LYS  26          2HG       LYS  26   2.373  -2.993   1.828
  180   2HG   LYS  26          1HG       LYS  26   0.662  -3.419   1.819
  181   1HD   LYS  26          2HD       LYS  26   1.039  -5.043   3.591
  182   2HD   LYS  26          1HD       LYS  26   2.766  -4.687   3.570
  183   1HE   LYS  26          2HE       LYS  26   1.066  -2.330   3.907
  184   2HE   LYS  26          1HE       LYS  26   0.925  -3.507   5.212
  185   1HZ   LYS  26          1HZ       LYS  26   3.626  -2.867   4.347
  186   2HZ   LYS  26          2HZ       LYS  26   3.020  -3.124   5.904
  187   3HZ   LYS  26          3HZ       LYS  26   2.792  -1.630   5.146
  188    H    TRP  27           H        TRP  27   1.257  -6.933  -1.302
  189    HA   TRP  27           HA       TRP  27  -1.587  -7.046  -0.883
  190   1HB   TRP  27          2HB       TRP  27  -2.098  -7.673  -3.250
  191   2HB   TRP  27          1HB       TRP  27  -1.692  -5.996  -3.018
  192    HD1  TRP  27           HD       TRP  27  -0.649  -9.046  -4.791
  193    HE1  TRP  27           1HE      TRP  27   1.291  -8.517  -6.380
  194    HE3  TRP  27           3HE      TRP  27   0.427  -4.330  -3.195
  195    HZ2  TRP  27           2HZ      TRP  27   3.060  -6.377  -6.902
  196    HZ3  TRP  27           3HZ      TRP  27   2.251  -3.100  -4.296
  197    HH2  TRP  27           HH       TRP  27   3.541  -4.103  -6.108
  198    H    TRP  28           H        TRP  28  -2.509  -9.118  -1.356
  199    HA   TRP  28           HA       TRP  28  -0.769 -11.342  -1.936
  200   1HB   TRP  28          2HB       TRP  28  -1.130 -12.452   0.259
  201   2HB   TRP  28          1HB       TRP  28  -0.198 -10.964   0.408
  202    HD1  TRP  28           HD       TRP  28  -3.602 -12.424   1.212
  203    HE1  TRP  28           1HE      TRP  28  -4.753 -10.885   2.880
  204    HE3  TRP  28           3HE      TRP  28  -0.269  -8.546   1.227
  205    HZ2  TRP  28           2HZ      TRP  28  -4.349  -8.372   4.089
  206    HZ3  TRP  28           3HZ      TRP  28  -0.729  -6.610   2.674
  207    HH2  TRP  28           HH       TRP  28  -2.730  -6.527   4.075
  208    H    SER  29           H        SER  29  -2.131 -13.447  -1.152
  209    HA   SER  29           HA       SER  29  -4.896 -13.022  -2.084
  210   1HB   SER  29          2HB       SER  29  -3.286 -14.250  -3.672
  211   2HB   SER  29          1HB       SER  29  -3.352 -15.580  -2.509
  212    HG   SER  29           HG       SER  29  -5.015 -16.079  -3.745
  213    H    ASP  30           H        ASP  30  -6.511 -13.900  -0.874
  214    HA   ASP  30           HA       ASP  30  -5.675 -15.323   1.561
  215   1HB   ASP  30          2HB       ASP  30  -6.914 -13.177   1.839
  216   2HB   ASP  30          1HB       ASP  30  -8.295 -13.908   1.018
  217    H    HIS  31           H        HIS  31  -8.639 -15.245  -0.408
  218    HA   HIS  31           HA       HIS  31  -8.492 -18.132  -0.756
  219   1HB   HIS  31          2HB       HIS  31 -11.145 -17.889  -0.121
  220   2HB   HIS  31          1HB       HIS  31  -9.904 -18.489   0.969
  221    HD1  HIS  31           1HD      HIS  31 -10.893 -17.629   3.123
  222    HD2  HIS  31           2HD      HIS  31 -10.419 -14.649   0.266
  223    HE1  HIS  31           1HE      HIS  31 -11.343 -15.468   4.326
  224    HE2  HIS  31           2HE      HIS  31 -11.142 -13.686   2.555
  225    H    ARG  32           H        ARG  32 -11.192 -15.857  -1.105
  226    HA   ARG  32           HA       ARG  32 -11.162 -16.413  -3.991
  227   1HB   ARG  32          2HB       ARG  32 -13.337 -16.045  -1.998
  228   2HB   ARG  32          1HB       ARG  32 -13.620 -15.418  -3.621
  229   1HG   ARG  32          2HG       ARG  32 -13.578 -17.512  -4.583
  230   2HG   ARG  32          1HG       ARG  32 -12.635 -18.212  -3.265
  231   1HD   ARG  32          2HD       ARG  32 -15.188 -17.186  -2.350
  232   2HD   ARG  32          1HD       ARG  32 -15.381 -18.392  -3.621
  233    HE   ARG  32           HE       ARG  32 -13.552 -19.177  -1.546
  234   1HH1  ARG  32          1HH1      ARG  32 -16.898 -19.108  -2.538
  235   2HH1  ARG  32          2HH1      ARG  32 -17.353 -20.443  -1.535
  236   1HH2  ARG  32          1HH2      ARG  32 -14.150 -20.935  -0.226
  237   2HH2  ARG  32          2HH2      ARG  32 -15.794 -21.480  -0.222
  238    H    GLY  33           H        GLY  33  -9.614 -14.329  -2.520
  239   1HA   GLY  33          2HA       GLY  33 -10.131 -12.177  -4.327
  240   2HA   GLY  33          1HA       GLY  33 -10.671 -11.786  -2.696
  241    H    THR  34           H        THR  34  -8.690 -10.351  -4.035
  242    HA   THR  34           HA       THR  34  -6.245 -11.126  -2.588
  243    HB   THR  34           HB       THR  34  -6.537  -9.386  -5.046
  244    HG1  THR  34           1HG      THR  34  -5.472 -11.996  -4.736
  245   1HG2  THR  34          1HG2      THR  34  -3.921 -10.482  -4.201
  246   2HG2  THR  34          2HG2      THR  34  -4.538  -9.066  -3.349
  247   3HG2  THR  34          3HG2      THR  34  -4.304  -9.012  -5.096
  248    H    ILE  35           H        ILE  35  -5.476  -9.806  -1.052
  249    HA   ILE  35           HA       ILE  35  -6.888  -7.270  -0.607
  250    HB   ILE  35           HB       ILE  35  -5.055  -8.718   1.301
  251   1HG1  ILE  35          2HG1      ILE  35  -7.524  -9.027   2.362
  252   2HG1  ILE  35          1HG1      ILE  35  -7.917  -9.091   0.648
  253   1HG2  ILE  35          1HG2      ILE  35  -5.136  -6.633   2.191
  254   2HG2  ILE  35          2HG2      ILE  35  -6.641  -7.257   2.865
  255   3HG2  ILE  35          3HG2      ILE  35  -6.674  -6.245   1.421
  256   1HD1  ILE  35          1HD1      ILE  35  -7.388 -11.238   0.716
  257   2HD1  ILE  35          2HD1      ILE  35  -6.706 -11.084   2.336
  258   3HD1  ILE  35          3HD1      ILE  35  -5.707 -10.746   0.921
  259    H    ILE  36           H        ILE  36  -5.793  -5.327  -0.352
  260    HA   ILE  36           HA       ILE  36  -2.896  -5.335  -0.765
  261    HB   ILE  36           HB       ILE  36  -2.962  -3.711  -2.524
  262   1HG1  ILE  36          2HG1      ILE  36  -5.956  -3.726  -2.098
  263   2HG1  ILE  36          1HG1      ILE  36  -4.855  -2.366  -1.906
  264   1HG2  ILE  36          1HG2      ILE  36  -5.037  -5.478  -3.622
  265   2HG2  ILE  36          2HG2      ILE  36  -3.687  -6.300  -2.842
  266   3HG2  ILE  36          3HG2      ILE  36  -3.387  -5.182  -4.170
  267   1HD1  ILE  36          1HD1      ILE  36  -4.391  -2.544  -4.373
  268   2HD1  ILE  36          2HD1      ILE  36  -6.016  -2.023  -3.927
  269   3HD1  ILE  36          3HD1      ILE  36  -5.736  -3.681  -4.455
  270    H    GLU  37           H        GLU  37  -1.928  -4.029   0.680
  271    HA   GLU  37           HA       GLU  37  -3.506  -1.799   1.786
  272   1HB   GLU  37          2HB       GLU  37  -1.555  -2.199   3.655
  273   2HB   GLU  37          1HB       GLU  37  -3.192  -2.843   3.753
  274   1HG   GLU  37          2HG       GLU  37  -2.492  -4.957   2.929
  275   2HG   GLU  37          1HG       GLU  37  -0.896  -4.337   2.513
  276    H    ARG  38           H        ARG  38  -2.007  -0.059   2.763
  277    HA   ARG  38           HA       ARG  38   0.547   0.273   1.484
  278   1HB   ARG  38          2HB       ARG  38  -0.385   2.580   0.535
  279   2HB   ARG  38          1HB       ARG  38  -0.412   1.101  -0.413
  280   1HG   ARG  38          2HG       ARG  38  -2.737   0.732   0.187
  281   2HG   ARG  38          1HG       ARG  38  -2.718   2.178   1.198
  282   1HD   ARG  38          2HD       ARG  38  -2.917   3.560  -0.563
  283   2HD   ARG  38          1HD       ARG  38  -1.825   2.603  -1.563
  284    HE   ARG  38           HE       ARG  38  -4.630   2.568  -1.669
  285   1HH1  ARG  38          1HH1      ARG  38  -1.917   0.370  -1.717
  286   2HH1  ARG  38          2HH1      ARG  38  -2.751  -0.833  -2.642
  287   1HH2  ARG  38          1HH2      ARG  38  -5.722   0.988  -2.890
  288   2HH2  ARG  38          2HH2      ARG  38  -4.908  -0.481  -3.311
  289    H    GLY  39           H        GLY  39   1.242   2.733   1.843
  290   1HA   GLY  39          2HA       GLY  39   0.183   4.221   3.951
  291   2HA   GLY  39          1HA       GLY  39   1.336   3.092   4.646
  292    H    CYS  40           H        CYS  40   3.024   4.346   5.190
  293    HA   CYS  40           HA       CYS  40   4.334   5.830   3.020
  294   1HB   CYS  40          2HB       CYS  40   3.221   6.918   5.477
  295   2HB   CYS  40          1HB       CYS  40   4.944   7.268   5.331
  296    H    GLY  41           H        GLY  41   6.456   5.436   2.837
  297   1HA   GLY  41          2HA       GLY  41   8.609   5.205   4.051
  298   2HA   GLY  41          1HA       GLY  41   7.780   4.044   5.087
  299    H    CYS  42           H        CYS  42   9.579   2.631   4.478
  300    HA   CYS  42           HA       CYS  42   8.808   0.917   2.306
  301   1HB   CYS  42          2HB       CYS  42  10.138   2.607   1.100
  302   2HB   CYS  42          1HB       CYS  42  11.501   2.297   2.179
  303    HA   PRO  43           HA       PRO  43  11.109  -1.028   5.882
  304   1HB   PRO  43          2HB       PRO  43   9.077  -2.289   7.092
  305   2HB   PRO  43          1HB       PRO  43   9.416  -0.578   7.398
  306   1HG   PRO  43          2HG       PRO  43   7.345  -1.815   5.623
  307   2HG   PRO  43          1HG       PRO  43   7.195  -0.430   6.724
  308   1HD   PRO  43          2HD       PRO  43   7.570  -0.211   4.009
  309   2HD   PRO  43          1HD       PRO  43   8.042   1.035   5.185
  310    H    LYS  44           H        LYS  44  10.562  -3.536   6.615
  311    HA   LYS  44           HA       LYS  44  10.819  -5.014   4.113
  312   1HB   LYS  44          2HB       LYS  44  11.748  -5.372   6.881
  313   2HB   LYS  44          1HB       LYS  44  11.226  -6.855   6.094
  314   1HG   LYS  44          2HG       LYS  44  12.955  -5.188   4.432
  315   2HG   LYS  44          1HG       LYS  44  13.716  -5.756   5.918
  316   1HD   LYS  44          2HD       LYS  44  13.916  -7.825   5.111
  317   2HD   LYS  44          1HD       LYS  44  12.213  -7.872   4.649
  318   1HE   LYS  44          2HE       LYS  44  13.022  -7.969   2.555
  319   2HE   LYS  44          1HE       LYS  44  13.221  -6.227   2.744
  320   1HZ   LYS  44          1HZ       LYS  44  15.499  -7.090   3.797
  321   2HZ   LYS  44          2HZ       LYS  44  15.323  -6.719   2.156
  322   3HZ   LYS  44          3HZ       LYS  44  15.228  -8.326   2.672
  323    H    VAL  45           H        VAL  45   9.963  -7.447   4.501
  324    HA   VAL  45           HA       VAL  45   7.314  -7.446   5.705
  325    HB   VAL  45           HB       VAL  45   6.331  -8.414   3.574
  326   1HG1  VAL  45          1HG1      VAL  45   5.656  -6.246   4.292
  327   2HG1  VAL  45          2HG1      VAL  45   5.989  -6.143   2.562
  328   3HG1  VAL  45          3HG1      VAL  45   7.162  -5.524   3.724
  329   1HG2  VAL  45          1HG2      VAL  45   8.780  -7.125   2.371
  330   2HG2  VAL  45          2HG2      VAL  45   7.402  -7.760   1.470
  331   3HG2  VAL  45          3HG2      VAL  45   8.425  -8.851   2.405
  332    H    LYS  46           H        LYS  46   6.326  -9.615   5.677
  333    HA   LYS  46           HA       LYS  46   8.279 -11.598   6.260
  334   1HB   LYS  46          2HB       LYS  46   5.338 -11.328   6.566
  335   2HB   LYS  46          1HB       LYS  46   5.999 -12.955   6.532
  336   1HG   LYS  46          2HG       LYS  46   7.370 -11.056   8.315
  337   2HG   LYS  46          1HG       LYS  46   5.721 -11.494   8.768
  338   1HD   LYS  46          2HD       LYS  46   6.308 -13.851   8.713
  339   2HD   LYS  46          1HD       LYS  46   7.942 -13.452   8.180
  340   1HE   LYS  46          2HE       LYS  46   7.022 -12.139  10.657
  341   2HE   LYS  46          1HE       LYS  46   7.272 -13.882  10.751
  342   1HZ   LYS  46          1HZ       LYS  46   9.487 -13.662  10.535
  343   2HZ   LYS  46          2HZ       LYS  46   9.206 -12.096  11.111
  344   3HZ   LYS  46          3HZ       LYS  46   9.381 -12.366   9.450
  345    HA   PRO  47           HA       PRO  47   8.007 -13.939   2.535
  346   1HB   PRO  47          2HB       PRO  47   7.959 -16.530   3.522
  347   2HB   PRO  47          1HB       PRO  47   9.392 -15.542   3.321
  348   1HG   PRO  47          2HG       PRO  47   8.146 -16.402   5.724
  349   2HG   PRO  47          1HG       PRO  47   9.665 -15.534   5.521
  350   1HD   PRO  47          2HD       PRO  47   7.085 -14.529   6.357
  351   2HD   PRO  47          1HD       PRO  47   8.663 -13.717   6.356
  352    H    GLY  48           H        GLY  48   6.279 -13.992   1.257
  353   1HA   GLY  48          2HA       GLY  48   4.470 -15.607   0.580
  354   2HA   GLY  48          1HA       GLY  48   3.865 -15.399   2.224
  355    H    VAL  49           H        VAL  49   4.587 -12.511   2.165
  356    HA   VAL  49           HA       VAL  49   2.245 -11.603   0.640
  357    HB   VAL  49           HB       VAL  49   3.683 -10.178   2.884
  358   1HG1  VAL  49          1HG1      VAL  49   1.496  -9.457   1.071
  359   2HG1  VAL  49          2HG1      VAL  49   2.571  -8.430   2.019
  360   3HG1  VAL  49          3HG1      VAL  49   1.160  -9.166   2.777
  361   1HG2  VAL  49          1HG2      VAL  49   2.237 -12.444   3.191
  362   2HG2  VAL  49          2HG2      VAL  49   0.970 -11.225   3.326
  363   3HG2  VAL  49          3HG2      VAL  49   2.360 -11.175   4.410
  364    H    ASN  50           H        ASN  50   2.403 -10.039  -0.897
  365    HA   ASN  50           HA       ASN  50   5.087  -9.352  -1.785
  366   1HB   ASN  50          2HB       ASN  50   2.609  -8.408  -3.180
  367   2HB   ASN  50          1HB       ASN  50   4.174  -8.857  -3.862
  368   1HD2  ASN  50          1HD2      ASN  50   1.024  -9.831  -3.296
  369   2HD2  ASN  50          2HD2      ASN  50   1.203 -11.518  -3.666
  370    H    LEU  51           H        LEU  51   5.773  -7.217  -2.198
  371    HA   LEU  51           HA       LEU  51   4.214  -4.972  -1.328
  372   1HB   LEU  51          2HB       LEU  51   4.948  -5.740   0.829
  373   2HB   LEU  51          1HB       LEU  51   6.598  -5.913   0.262
  374    HG   LEU  51           HG       LEU  51   6.425  -3.331  -0.158
  375   1HD1  LEU  51          1HD1      LEU  51   4.897  -2.148   1.131
  376   2HD1  LEU  51          2HD1      LEU  51   4.506  -3.550   2.128
  377   3HD1  LEU  51          3HD1      LEU  51   3.937  -3.466   0.461
  378   1HD2  LEU  51          1HD2      LEU  51   7.626  -4.860   1.690
  379   2HD2  LEU  51          2HD2      LEU  51   6.553  -3.921   2.729
  380   3HD2  LEU  51          3HD2      LEU  51   7.710  -3.098   1.683
  381    H    ASN  52           H        ASN  52   5.124  -2.974  -1.991
  382    HA   ASN  52           HA       ASN  52   7.764  -2.941  -3.166
  383   1HB   ASN  52          2HB       ASN  52   7.241  -2.755  -5.393
  384   2HB   ASN  52          1HB       ASN  52   5.954  -3.836  -4.875
  385   1HD2  ASN  52          1HD2      ASN  52   4.052  -2.385  -3.864
  386   2HD2  ASN  52          2HD2      ASN  52   3.493  -1.166  -4.952
  387    H    CYS  53           H        CYS  53   8.681  -1.028  -2.834
  388    HA   CYS  53           HA       CYS  53   7.081   1.184  -1.864
  389   1HB   CYS  53          2HB       CYS  53  10.064   1.196  -2.249
  390   2HB   CYS  53          1HB       CYS  53   9.094   2.107  -1.097
  391    H    CYS  54           H        CYS  54   7.339   3.343  -2.690
  392    HA   CYS  54           HA       CYS  54   8.533   3.788  -5.265
  393   1HB   CYS  54          2HB       CYS  54   6.240   4.582  -6.201
  394   2HB   CYS  54          1HB       CYS  54   6.645   2.866  -6.268
  395    H    ARG  55           H        ARG  55   8.410   5.913  -5.972
  396    HA   ARG  55           HA       ARG  55   7.848   7.808  -3.813
  397   1HB   ARG  55          2HB       ARG  55   9.825   8.751  -5.655
  398   2HB   ARG  55          1HB       ARG  55   9.959   8.466  -3.930
  399   1HG   ARG  55          2HG       ARG  55  10.617   6.197  -4.293
  400   2HG   ARG  55          1HG       ARG  55  10.307   6.344  -6.026
  401   1HD   ARG  55          2HD       ARG  55  12.287   8.102  -4.610
  402   2HD   ARG  55          1HD       ARG  55  12.733   6.512  -5.230
  403    HE   ARG  55           HE       ARG  55  11.465   7.914  -7.276
  404   1HH1  ARG  55          1HH1      ARG  55  14.405   8.084  -5.406
  405   2HH1  ARG  55          2HH1      ARG  55  15.312   8.850  -6.667
  406   1HH2  ARG  55          1HH2      ARG  55  12.656   8.923  -8.938
  407   2HH2  ARG  55          2HH2      ARG  55  14.319   9.327  -8.673
  408    H    THR  56           H        THR  56   5.935   7.118  -5.796
  409    HA   THR  56           HA       THR  56   5.808   9.640  -7.316
  410    HB   THR  56           HB       THR  56   4.148   7.648  -8.526
  411    HG1  THR  56           1HG      THR  56   5.650   6.177  -7.557
  412   1HG2  THR  56          1HG2      THR  56   4.838   9.232 -10.007
  413   2HG2  THR  56          2HG2      THR  56   5.993   7.947 -10.363
  414   3HG2  THR  56          3HG2      THR  56   6.469   9.305  -9.344
  415    H    ASP  57           H        ASP  57   3.766  10.621  -7.529
  416    HA   ASP  57           HA       ASP  57   2.106  10.453  -5.265
  417   1HB   ASP  57          2HB       ASP  57   2.057  11.913  -7.848
  418   2HB   ASP  57          1HB       ASP  57   0.508  11.741  -7.018
  419    H    ARG  58           H        ARG  58   0.528   9.084  -4.770
  420    HA   ARG  58           HA       ARG  58  -1.074   7.476  -4.925
  421   1HB   ARG  58          2HB       ARG  58  -1.383   8.599  -7.716
  422   2HB   ARG  58          1HB       ARG  58  -2.506   7.475  -6.953
  423   1HG   ARG  58          2HG       ARG  58  -2.779   9.211  -5.128
  424   2HG   ARG  58          1HG       ARG  58  -1.927  10.323  -6.201
  425   1HD   ARG  58          2HD       ARG  58  -4.138   8.835  -7.441
  426   2HD   ARG  58          1HD       ARG  58  -4.617   9.963  -6.172
  427    HE   ARG  58           HE       ARG  58  -2.814  11.086  -8.113
  428   1HH1  ARG  58          1HH1      ARG  58  -6.156  10.449  -7.335
  429   2HH1  ARG  58          2HH1      ARG  58  -6.764  11.715  -8.348
  430   1HH2  ARG  58          1HH2      ARG  58  -3.611  12.751  -9.447
  431   2HH2  ARG  58          2HH2      ARG  58  -5.319  13.022  -9.548
  432    H    CYS  59           H        CYS  59   1.719   6.926  -5.698
  433    HA   CYS  59           HA       CYS  59   1.818   5.159  -7.885
  434   1HB   CYS  59          2HB       CYS  59   3.983   4.542  -7.065
  435   2HB   CYS  59          1HB       CYS  59   3.778   6.270  -6.795
  436    H    ASN  60           H        ASN  60   0.831   4.753  -4.572
  437    HA   ASN  60           HA       ASN  60   0.733   1.837  -4.887
  438   1HB   ASN  60          2HB       ASN  60   0.132   1.917  -2.413
  439   2HB   ASN  60          1HB       ASN  60   1.764   2.440  -2.839
  440   1HD2  ASN  60          1HD2      ASN  60   1.829   3.564  -0.848
  441   2HD2  ASN  60          2HD2      ASN  60   1.043   5.103  -0.673
  442    H    ASN  61           H        ASN  61  -1.149   3.836  -6.145
  443    HA   ASN  61           HA       ASN  61  -3.646   3.680  -4.843
  444   1HB   ASN  61          2HB       ASN  61  -4.563   4.441  -6.982
  445   2HB   ASN  61          1HB       ASN  61  -3.134   5.368  -6.549
  446   1HD2  ASN  61          1HD2      ASN  61  -4.124   5.264  -9.129
  447   2HD2  ASN  61          2HD2      ASN  61  -2.983   4.426 -10.135
  Start of MODEL   10
    1   1H    LEU   1          1HT       LEU   1   4.577  13.025   2.423
    2   2H    LEU   1          2HT       LEU   1   4.210  14.608   1.869
    3   3H    LEU   1          3HT       LEU   1   5.718  13.886   1.476
    4    HA   LEU   1           HA       LEU   1   4.511  13.676  -0.429
    5   1HB   LEU   1          2HB       LEU   1   5.136  11.438   1.168
    6   2HB   LEU   1          1HB       LEU   1   3.615  11.076   0.375
    7    HG   LEU   1           HG       LEU   1   5.686  10.324  -0.819
    8   1HD1  LEU   1          1HD1      LEU   1   4.866  10.823  -3.000
    9   2HD1  LEU   1          2HD1      LEU   1   3.964  12.210  -2.385
   10   3HD1  LEU   1          3HD1      LEU   1   3.498  10.575  -1.916
   11   1HD2  LEU   1          1HD2      LEU   1   6.765  12.669  -0.293
   12   2HD2  LEU   1          2HD2      LEU   1   6.037  13.079  -1.848
   13   3HD2  LEU   1          3HD2      LEU   1   7.199  11.756  -1.739
   14    H    GLU   2           H        GLU   2   2.482  11.991  -1.088
   15    HA   GLU   2           HA       GLU   2   0.092  12.550   0.394
   16   1HB   GLU   2          2HB       GLU   2   0.880  14.289  -1.826
   17   2HB   GLU   2          1HB       GLU   2  -0.729  13.605  -2.018
   18   1HG   GLU   2          2HG       GLU   2  -1.430  14.512   0.085
   19   2HG   GLU   2          1HG       GLU   2   0.207  15.064   0.438
   20    H    CYS   3           H        CYS   3   1.027  10.151  -0.119
   21    HA   CYS   3           HA       CYS   3   0.067   9.071  -2.602
   22   1HB   CYS   3          2HB       CYS   3   1.253   7.846  -0.116
   23   2HB   CYS   3          1HB       CYS   3   0.696   6.879  -1.480
   24    H    HIS   4           H        HIS   4  -1.184   6.837  -2.237
   25    HA   HIS   4           HA       HIS   4  -3.769   7.620  -1.231
   26   1HB   HIS   4          2HB       HIS   4  -2.781   5.104  -2.583
   27   2HB   HIS   4          1HB       HIS   4  -4.458   5.354  -2.089
   28    HD1  HIS   4           1HD      HIS   4  -5.616   7.548  -3.244
   29    HD2  HIS   4           2HD      HIS   4  -2.222   6.004  -5.080
   30    HE1  HIS   4           1HE      HIS   4  -5.641   8.467  -5.583
   31    HE2  HIS   4           2HE      HIS   4  -3.648   7.416  -6.711
   32    H    ASN   5           H        ASN   5  -4.979   5.552  -0.180
   33    HA   ASN   5           HA       ASN   5  -3.512   4.024   1.697
   34   1HB   ASN   5          2HB       ASN   5  -4.268   5.137   3.767
   35   2HB   ASN   5          1HB       ASN   5  -3.212   6.180   2.811
   36   1HD2  ASN   5          1HD2      ASN   5  -5.499   6.564   4.810
   37   2HD2  ASN   5          2HD2      ASN   5  -6.502   7.756   4.044
   38    H    GLN   6           H        GLN   6  -5.527   3.550  -0.211
   39    HA   GLN   6           HA       GLN   6  -7.994   3.135   1.277
   40   1HB   GLN   6          2HB       GLN   6  -8.813   2.231  -0.932
   41   2HB   GLN   6          1HB       GLN   6  -8.319   3.919  -0.946
   42   1HG   GLN   6          2HG       GLN   6  -6.539   3.535  -2.293
   43   2HG   GLN   6          1HG       GLN   6  -6.272   1.909  -1.665
   44   1HE2  GLN   6          1HE2      GLN   6  -6.681   3.221  -4.417
   45   2HE2  GLN   6          2HE2      GLN   6  -7.814   2.160  -5.195
   46    H    GLN   7           H        GLN   7  -8.734   1.211   1.993
   47    HA   GLN   7           HA       GLN   7  -6.983  -1.120   1.604
   48   1HB   GLN   7          2HB       GLN   7  -8.448  -1.847   3.729
   49   2HB   GLN   7          1HB       GLN   7  -6.941  -0.958   3.870
   50   1HG   GLN   7          2HG       GLN   7  -9.593   0.431   3.708
   51   2HG   GLN   7          1HG       GLN   7  -8.930  -0.150   5.234
   52   1HE2  GLN   7          1HE2      GLN   7  -6.514   0.500   5.476
   53   2HE2  GLN   7          2HE2      GLN   7  -6.180   2.175   5.164
   54    H    SER   8           H        SER   8  -7.870  -3.107   1.069
   55    HA   SER   8           HA       SER   8  -9.322  -4.553   0.080
   56   1HB   SER   8          2HB       SER   8 -11.675  -3.045   1.162
   57   2HB   SER   8          1HB       SER   8 -11.417  -4.790   1.047
   58    HG   SER   8           HG       SER   8  -9.745  -4.441   2.697
   59    H    SER   9           H        SER   9 -11.958  -4.073  -0.931
   60    HA   SER   9           HA       SER   9 -11.240  -2.493  -3.279
   61   1HB   SER   9          2HB       SER   9 -12.922  -3.662  -4.449
   62   2HB   SER   9          1HB       SER   9 -12.212  -4.872  -3.381
   63    HG   SER   9           HG       SER   9 -14.404  -5.043  -3.167
   64    H    GLN  10           H        GLN  10 -11.968  -1.227  -0.716
   65    HA   GLN  10           HA       GLN  10 -14.604  -0.164  -0.953
   66   1HB   GLN  10          2HB       GLN  10 -12.241   0.311   0.784
   67   2HB   GLN  10          1HB       GLN  10 -13.438   1.602   0.681
   68   1HG   GLN  10          2HG       GLN  10 -14.623  -1.017   1.084
   69   2HG   GLN  10          1HG       GLN  10 -13.504  -0.560   2.370
   70   1HE2  GLN  10          1HE2      GLN  10 -16.635  -0.407   1.358
   71   2HE2  GLN  10          2HE2      GLN  10 -17.177   0.943   2.307
   72    H    ALA  11           H        ALA  11 -14.572   2.462  -0.702
   73    HA   ALA  11           HA       ALA  11 -13.926   3.383  -3.330
   74   1HB   ALA  11          1HB       ALA  11 -15.921   4.066  -1.889
   75   2HB   ALA  11          2HB       ALA  11 -15.090   5.341  -2.781
   76   3HB   ALA  11          3HB       ALA  11 -14.794   5.137  -1.055
   77    HA   PRO  12           HA       PRO  12  -9.598   4.331  -2.458
   78   1HB   PRO  12          2HB       PRO  12 -10.305   6.122  -4.763
   79   2HB   PRO  12          1HB       PRO  12  -8.828   5.185  -4.485
   80   1HG   PRO  12          2HG       PRO  12 -10.651   4.231  -6.128
   81   2HG   PRO  12          1HG       PRO  12  -9.879   3.152  -4.941
   82   1HD   PRO  12          2HD       PRO  12 -12.624   4.330  -4.923
   83   2HD   PRO  12          1HD       PRO  12 -12.065   2.745  -4.339
   84    H    THR  13           H        THR  13  -8.359   6.260  -1.924
   85    HA   THR  13           HA       THR  13  -9.806   8.725  -1.451
   86    HB   THR  13           HB       THR  13  -8.681   8.482   1.014
   87    HG1  THR  13           1HG      THR  13  -9.749   5.929   0.412
   88   1HG2  THR  13          1HG2      THR  13 -10.963   9.215   0.628
   89   2HG2  THR  13          2HG2      THR  13 -10.893   7.989   1.895
   90   3HG2  THR  13          3HG2      THR  13 -11.446   7.555   0.277
   91    H    THR  14           H        THR  14  -8.349  10.438  -0.578
   92    HA   THR  14           HA       THR  14  -5.513   9.930  -1.133
   93    HB   THR  14           HB       THR  14  -5.346  12.006  -2.423
   94    HG1  THR  14           1HG      THR  14  -8.127  12.134  -1.938
   95   1HG2  THR  14          1HG2      THR  14  -6.323  11.328  -4.446
   96   2HG2  THR  14          2HG2      THR  14  -7.595  10.425  -3.622
   97   3HG2  THR  14          3HG2      THR  14  -5.931   9.842  -3.581
   98    H    LYS  15           H        LYS  15  -4.283  10.628   0.477
   99    HA   LYS  15           HA       LYS  15  -4.968  13.072   1.899
  100   1HB   LYS  15          2HB       LYS  15  -5.775  10.682   2.974
  101   2HB   LYS  15          1HB       LYS  15  -4.208  10.911   3.739
  102   1HG   LYS  15          2HG       LYS  15  -5.065  13.277   4.287
  103   2HG   LYS  15          1HG       LYS  15  -6.659  12.615   3.919
  104   1HD   LYS  15          2HD       LYS  15  -6.643  12.085   6.116
  105   2HD   LYS  15          1HD       LYS  15  -5.713  10.694   5.556
  106   1HE   LYS  15          2HE       LYS  15  -4.473  11.554   7.349
  107   2HE   LYS  15          1HE       LYS  15  -3.647  12.149   5.909
  108   1HZ   LYS  15          1HZ       LYS  15  -3.959  13.846   7.660
  109   2HZ   LYS  15          2HZ       LYS  15  -5.633  13.722   7.456
  110   3HZ   LYS  15          3HZ       LYS  15  -4.666  14.276   6.184
  111    H    THR  16           H        THR  16  -3.185  13.472   3.646
  112    HA   THR  16           HA       THR  16  -0.607  12.936   2.338
  113    HB   THR  16           HB       THR  16  -1.204  15.303   2.501
  114    HG1  THR  16           1HG      THR  16   0.960  14.962   2.659
  115   1HG2  THR  16          1HG2      THR  16  -0.972  16.233   4.944
  116   2HG2  THR  16          2HG2      THR  16  -1.627  14.651   5.363
  117   3HG2  THR  16          3HG2      THR  16  -2.532  15.727   4.299
  118    H    CYS  17           H        CYS  17   1.186  12.291   3.547
  119    HA   CYS  17           HA       CYS  17   0.540  10.728   5.887
  120   1HB   CYS  17          2HB       CYS  17   2.974  11.054   4.161
  121   2HB   CYS  17          1HB       CYS  17   3.105  10.265   5.735
  122    H    SER  18           H        SER  18   2.394  10.776   7.650
  123    HA   SER  18           HA       SER  18   2.160  13.304   8.942
  124   1HB   SER  18          2HB       SER  18   3.987  12.049  10.466
  125   2HB   SER  18          1HB       SER  18   2.264  11.684  10.550
  126    HG   SER  18           HG       SER  18   3.323   9.757  10.302
  127    H    GLY  19           H        GLY  19   4.639  11.733   7.044
  128   1HA   GLY  19          2HA       GLY  19   6.000  13.762   6.043
  129   2HA   GLY  19          1HA       GLY  19   6.590  13.809   7.703
  130    H    GLU  20           H        GLU  20   5.844  11.033   5.616
  131    HA   GLU  20           HA       GLU  20   8.384   9.832   6.301
  132   1HB   GLU  20          2HB       GLU  20   5.843   8.946   5.119
  133   2HB   GLU  20          1HB       GLU  20   7.268   8.171   4.428
  134   1HG   GLU  20          2HG       GLU  20   7.392   8.264   7.317
  135   2HG   GLU  20          1HG       GLU  20   5.935   7.452   6.747
  136    H    THR  21           H        THR  21   9.202   8.483   4.135
  137    HA   THR  21           HA       THR  21  10.029  10.630   2.316
  138    HB   THR  21           HB       THR  21  11.305   7.940   2.832
  139    HG1  THR  21           1HG      THR  21  11.895  10.549   3.738
  140   1HG2  THR  21          1HG2      THR  21  12.678  10.210   1.479
  141   2HG2  THR  21          2HG2      THR  21  11.665   9.109   0.547
  142   3HG2  THR  21          3HG2      THR  21  13.049   8.487   1.445
  143    H    ASN  22           H        ASN  22   9.788   7.113   1.931
  144    HA   ASN  22           HA       ASN  22   8.374   7.580  -0.611
  145   1HB   ASN  22          2HB       ASN  22   9.602   4.929  -0.209
  146   2HB   ASN  22          1HB       ASN  22   9.613   5.978  -1.628
  147   1HD2  ASN  22          1HD2      ASN  22  11.357   4.809   1.019
  148   2HD2  ASN  22          2HD2      ASN  22  12.769   5.805   0.841
  149    H    CYS  23           H        CYS  23   6.560   6.368  -1.108
  150    HA   CYS  23           HA       CYS  23   5.176   5.212   1.157
  151   1HB   CYS  23          2HB       CYS  23   4.136   5.492  -1.656
  152   2HB   CYS  23          1HB       CYS  23   3.224   5.392  -0.158
  153    H    TYR  24           H        TYR  24   3.527   3.398  -0.094
  154    HA   TYR  24           HA       TYR  24   5.051   1.523  -1.624
  155   1HB   TYR  24          2HB       TYR  24   4.915  -0.324   0.029
  156   2HB   TYR  24          1HB       TYR  24   5.994   0.979   0.522
  157    HD1  TYR  24           1HD      TYR  24   5.693   2.052   2.591
  158    HD2  TYR  24           2HD      TYR  24   2.573  -0.378   1.023
  159    HE1  TYR  24           1HE      TYR  24   4.487   2.235   4.726
  160    HE2  TYR  24           2HE      TYR  24   1.356  -0.200   3.153
  161    HH   TYR  24           HH       TYR  24   2.491   0.458   5.869
  162    H    LYS  25           H        LYS  25   3.848  -0.556  -1.869
  163    HA   LYS  25           HA       LYS  25   0.985  -0.422  -1.474
  164   1HB   LYS  25          2HB       LYS  25   1.856   0.679  -3.786
  165   2HB   LYS  25          1HB       LYS  25   1.730  -1.003  -4.286
  166   1HG   LYS  25          2HG       LYS  25  -0.578   0.089  -2.812
  167   2HG   LYS  25          1HG       LYS  25  -0.294   0.742  -4.427
  168   1HD   LYS  25          2HD       LYS  25  -0.018  -2.141  -4.379
  169   2HD   LYS  25          1HD       LYS  25  -1.600  -1.631  -3.787
  170   1HE   LYS  25          2HE       LYS  25  -2.160  -0.605  -5.792
  171   2HE   LYS  25          1HE       LYS  25  -0.478  -0.454  -6.298
  172   1HZ   LYS  25          1HZ       LYS  25  -1.746  -2.176  -7.514
  173   2HZ   LYS  25          2HZ       LYS  25  -1.916  -3.040  -6.070
  174   3HZ   LYS  25          3HZ       LYS  25  -0.378  -2.786  -6.725
  175    H    LYS  26           H        LYS  26   0.479  -2.361  -0.746
  176    HA   LYS  26           HA       LYS  26   2.006  -4.669  -1.749
  177   1HB   LYS  26          2HB       LYS  26   0.986  -5.531   0.634
  178   2HB   LYS  26          1HB       LYS  26   2.603  -4.897   0.399
  179   1HG   LYS  26          2HG       LYS  26   1.990  -2.759   1.204
  180   2HG   LYS  26          1HG       LYS  26   0.272  -3.159   1.146
  181   1HD   LYS  26          2HD       LYS  26   0.657  -4.878   2.884
  182   2HD   LYS  26          1HD       LYS  26   2.342  -4.368   2.979
  183   1HE   LYS  26          2HE       LYS  26   1.624  -2.125   3.641
  184   2HE   LYS  26          1HE       LYS  26  -0.062  -2.633   3.542
  185   1HZ   LYS  26          1HZ       LYS  26   0.403  -2.848   5.772
  186   2HZ   LYS  26          2HZ       LYS  26   1.986  -3.387   5.518
  187   3HZ   LYS  26          3HZ       LYS  26   0.682  -4.423   5.222
  188    H    TRP  27           H        TRP  27   0.933  -6.660  -1.949
  189    HA   TRP  27           HA       TRP  27  -1.906  -6.832  -1.594
  190   1HB   TRP  27          2HB       TRP  27  -2.417  -7.344  -3.976
  191   2HB   TRP  27          1HB       TRP  27  -1.990  -5.679  -3.695
  192    HD1  TRP  27           HD       TRP  27  -1.028  -8.666  -5.600
  193    HE1  TRP  27           1HE      TRP  27   0.931  -8.127  -7.160
  194    HE3  TRP  27           3HE      TRP  27   0.208  -4.066  -3.779
  195    HZ2  TRP  27           2HZ      TRP  27   2.772  -6.027  -7.580
  196    HZ3  TRP  27           3HZ      TRP  27   2.077  -2.853  -4.820
  197    HH2  TRP  27           HH       TRP  27   3.331  -3.813  -6.679
  198    H    TRP  28           H        TRP  28  -2.768  -8.925  -2.301
  199    HA   TRP  28           HA       TRP  28  -0.902 -11.044  -2.873
  200   1HB   TRP  28          2HB       TRP  28  -1.443 -12.306  -0.770
  201   2HB   TRP  28          1HB       TRP  28  -0.467 -10.864  -0.511
  202    HD1  TRP  28           HD       TRP  28  -3.913 -12.277   0.146
  203    HE1  TRP  28           1HE      TRP  28  -5.085 -10.772   1.834
  204    HE3  TRP  28           3HE      TRP  28  -0.540  -8.443   0.348
  205    HZ2  TRP  28           2HZ      TRP  28  -4.679  -8.296   3.121
  206    HZ3  TRP  28           3HZ      TRP  28  -1.010  -6.540   1.837
  207    HH2  TRP  28           HH       TRP  28  -3.041  -6.471   3.193
  208    H    SER  29           H        SER  29  -2.118 -13.238  -2.528
  209    HA   SER  29           HA       SER  29  -4.981 -13.039  -2.997
  210   1HB   SER  29          2HB       SER  29  -3.436 -12.983  -5.208
  211   2HB   SER  29          1HB       SER  29  -3.557 -14.732  -4.980
  212    HG   SER  29           HG       SER  29  -5.333 -13.161  -6.079
  213    H    ASP  30           H        ASP  30  -4.941 -14.105  -0.927
  214    HA   ASP  30           HA       ASP  30  -4.076 -16.915  -1.029
  215   1HB   ASP  30          2HB       ASP  30  -3.462 -15.051   0.843
  216   2HB   ASP  30          1HB       ASP  30  -4.901 -15.768   1.568
  217    H    HIS  31           H        HIS  31  -5.614 -17.827   1.141
  218    HA   HIS  31           HA       HIS  31  -7.925 -18.716  -0.094
  219   1HB   HIS  31          2HB       HIS  31  -8.687 -19.374   2.175
  220   2HB   HIS  31          1HB       HIS  31  -7.018 -19.836   1.855
  221    HD1  HIS  31           1HD      HIS  31  -5.157 -18.318   3.024
  222    HD2  HIS  31           2HD      HIS  31  -9.052 -17.762   4.361
  223    HE1  HIS  31           1HE      HIS  31  -4.949 -17.094   5.210
  224    HE2  HIS  31           2HE      HIS  31  -7.314 -16.844   6.042
  225    H    ARG  32           H        ARG  32  -7.530 -16.008   2.165
  226    HA   ARG  32           HA       ARG  32 -10.217 -15.267   2.354
  227   1HB   ARG  32          2HB       ARG  32  -7.609 -13.900   2.789
  228   2HB   ARG  32          1HB       ARG  32  -9.047 -12.888   2.667
  229   1HG   ARG  32          2HG       ARG  32 -10.074 -14.052   4.512
  230   2HG   ARG  32          1HG       ARG  32  -8.721 -15.183   4.590
  231   1HD   ARG  32          2HD       ARG  32  -7.284 -13.047   4.904
  232   2HD   ARG  32          1HD       ARG  32  -8.814 -12.285   5.335
  233    HE   ARG  32           HE       ARG  32  -8.547 -14.646   6.816
  234   1HH1  ARG  32          1HH1      ARG  32  -7.080 -11.489   6.565
  235   2HH1  ARG  32          2HH1      ARG  32  -6.598 -11.444   8.227
  236   1HH2  ARG  32          1HH2      ARG  32  -7.912 -14.588   9.003
  237   2HH2  ARG  32          2HH2      ARG  32  -7.069 -13.202   9.611
  238    H    GLY  33           H        GLY  33  -7.914 -14.828  -0.195
  239   1HA   GLY  33          2HA       GLY  33  -8.991 -14.462  -2.409
  240   2HA   GLY  33          1HA       GLY  33  -9.876 -13.149  -1.636
  241    H    THR  34           H        THR  34  -9.076 -11.664  -3.163
  242    HA   THR  34           HA       THR  34  -6.193 -11.126  -3.048
  243    HB   THR  34           HB       THR  34  -8.142  -9.829  -4.942
  244    HG1  THR  34           1HG      THR  34  -6.918 -12.366  -5.134
  245   1HG2  THR  34          1HG2      THR  34  -5.822 -10.307  -6.293
  246   2HG2  THR  34          2HG2      THR  34  -5.243  -9.917  -4.674
  247   3HG2  THR  34          3HG2      THR  34  -6.274  -8.778  -5.540
  248    H    ILE  35           H        ILE  35  -5.418  -9.371  -2.044
  249    HA   ILE  35           HA       ILE  35  -7.231  -7.137  -1.470
  250    HB   ILE  35           HB       ILE  35  -5.447  -8.298   0.662
  251   1HG1  ILE  35          2HG1      ILE  35  -8.441  -8.609   0.362
  252   2HG1  ILE  35          1HG1      ILE  35  -7.261  -9.881   0.067
  253   1HG2  ILE  35          1HG2      ILE  35  -7.622  -6.213   0.719
  254   2HG2  ILE  35          2HG2      ILE  35  -5.893  -5.948   0.943
  255   3HG2  ILE  35          3HG2      ILE  35  -6.808  -6.860   2.144
  256   1HD1  ILE  35          1HD1      ILE  35  -7.757 -10.437   2.182
  257   2HD1  ILE  35          2HD1      ILE  35  -8.304  -8.813   2.597
  258   3HD1  ILE  35          3HD1      ILE  35  -6.580  -9.182   2.569
  259    H    ILE  36           H        ILE  36  -6.169  -5.145  -0.985
  260    HA   ILE  36           HA       ILE  36  -3.284  -5.053  -1.474
  261    HB   ILE  36           HB       ILE  36  -3.487  -3.261  -3.103
  262   1HG1  ILE  36          2HG1      ILE  36  -6.468  -3.684  -2.789
  263   2HG1  ILE  36          1HG1      ILE  36  -5.562  -2.231  -2.383
  264   1HG2  ILE  36          1HG2      ILE  36  -3.975  -5.917  -3.566
  265   2HG2  ILE  36          2HG2      ILE  36  -3.645  -4.705  -4.802
  266   3HG2  ILE  36          3HG2      ILE  36  -5.310  -5.130  -4.405
  267   1HD1  ILE  36          1HD1      ILE  36  -6.634  -3.119  -4.937
  268   2HD1  ILE  36          2HD1      ILE  36  -4.958  -2.576  -5.025
  269   3HD1  ILE  36          3HD1      ILE  36  -6.200  -1.501  -4.383
  270    H    GLU  37           H        GLU  37  -2.285  -3.699  -0.078
  271    HA   GLU  37           HA       GLU  37  -3.911  -1.586   1.177
  272   1HB   GLU  37          2HB       GLU  37  -1.960  -2.060   3.029
  273   2HB   GLU  37          1HB       GLU  37  -3.595  -2.716   3.095
  274   1HG   GLU  37          2HG       GLU  37  -2.879  -4.783   2.168
  275   2HG   GLU  37          1HG       GLU  37  -1.283  -4.136   1.796
  276    H    ARG  38           H        ARG  38  -2.597   0.222   2.069
  277    HA   ARG  38           HA       ARG  38  -0.072   0.643   0.635
  278   1HB   ARG  38          2HB       ARG  38  -2.306   2.675   0.715
  279   2HB   ARG  38          1HB       ARG  38  -0.741   2.876  -0.057
  280   1HG   ARG  38          2HG       ARG  38  -1.549   2.033  -1.932
  281   2HG   ARG  38          1HG       ARG  38  -1.930   0.524  -1.102
  282   1HD   ARG  38          2HD       ARG  38  -4.117   1.167  -0.668
  283   2HD   ARG  38          1HD       ARG  38  -3.753   2.882  -0.853
  284    HE   ARG  38           HE       ARG  38  -4.224   2.681  -3.072
  285   1HH1  ARG  38          1HH1      ARG  38  -3.498  -0.494  -1.817
  286   2HH1  ARG  38          2HH1      ARG  38  -3.880  -1.302  -3.299
  287   1HH2  ARG  38          1HH2      ARG  38  -4.728   1.618  -5.021
  288   2HH2  ARG  38          2HH2      ARG  38  -4.578  -0.104  -5.118
  289    H    GLY  39           H        GLY  39   0.636   3.091   1.372
  290   1HA   GLY  39          2HA       GLY  39   0.137   4.188   3.790
  291   2HA   GLY  39          1HA       GLY  39   1.118   2.791   4.208
  292    H    CYS  40           H        CYS  40   2.625   4.400   5.054
  293    HA   CYS  40           HA       CYS  40   4.297   5.535   2.910
  294   1HB   CYS  40          2HB       CYS  40   3.210   6.763   5.352
  295   2HB   CYS  40          1HB       CYS  40   4.933   7.047   5.100
  296    H    GLY  41           H        GLY  41   6.307   4.777   2.826
  297   1HA   GLY  41          2HA       GLY  41   8.327   4.482   4.381
  298   2HA   GLY  41          1HA       GLY  41   7.310   3.266   5.150
  299    H    CYS  42           H        CYS  42   9.024   1.758   4.661
  300    HA   CYS  42           HA       CYS  42   8.552   0.402   2.174
  301   1HB   CYS  42          2HB       CYS  42  10.249   2.174   1.586
  302   2HB   CYS  42          1HB       CYS  42  11.367   1.374   2.695
  303    HA   PRO  43           HA       PRO  43  10.024  -2.158   5.812
  304   1HB   PRO  43          2HB       PRO  43   7.712  -3.300   6.540
  305   2HB   PRO  43          1HB       PRO  43   8.159  -1.679   7.100
  306   1HG   PRO  43          2HG       PRO  43   6.294  -2.479   4.897
  307   2HG   PRO  43          1HG       PRO  43   6.100  -1.211   6.126
  308   1HD   PRO  43          2HD       PRO  43   6.929  -0.746   3.545
  309   2HD   PRO  43          1HD       PRO  43   7.322   0.304   4.923
  310    H    LYS  44           H        LYS  44   9.531  -4.617   6.122
  311    HA   LYS  44           HA       LYS  44   9.558  -5.827   3.446
  312   1HB   LYS  44          2HB       LYS  44  10.861  -6.485   6.041
  313   2HB   LYS  44          1HB       LYS  44  10.437  -7.825   4.985
  314   1HG   LYS  44          2HG       LYS  44  12.086  -7.373   3.548
  315   2HG   LYS  44          1HG       LYS  44  11.805  -5.633   3.620
  316   1HD   LYS  44          2HD       LYS  44  13.194  -7.212   5.781
  317   2HD   LYS  44          1HD       LYS  44  14.035  -6.359   4.486
  318   1HE   LYS  44          2HE       LYS  44  13.464  -4.279   5.302
  319   2HE   LYS  44          1HE       LYS  44  12.053  -4.890   6.166
  320   1HZ   LYS  44          1HZ       LYS  44  13.583  -5.992   7.724
  321   2HZ   LYS  44          2HZ       LYS  44  13.765  -4.311   7.724
  322   3HZ   LYS  44          3HZ       LYS  44  14.897  -5.284   6.927
  323    H    VAL  45           H        VAL  45   8.928  -8.366   3.804
  324    HA   VAL  45           HA       VAL  45   6.542  -8.644   5.424
  325    HB   VAL  45           HB       VAL  45   5.206  -9.436   3.413
  326   1HG1  VAL  45          1HG1      VAL  45   5.661  -6.541   3.034
  327   2HG1  VAL  45          2HG1      VAL  45   5.256  -7.072   4.666
  328   3HG1  VAL  45          3HG1      VAL  45   4.166  -7.428   3.326
  329   1HG2  VAL  45          1HG2      VAL  45   7.101  -9.578   1.851
  330   2HG2  VAL  45          2HG2      VAL  45   7.274  -7.825   1.919
  331   3HG2  VAL  45          3HG2      VAL  45   5.813  -8.540   1.238
  332    H    LYS  46           H        LYS  46   5.497 -10.890   4.842
  333    HA   LYS  46           HA       LYS  46   7.557 -12.818   5.204
  334   1HB   LYS  46          2HB       LYS  46   4.589 -12.795   5.347
  335   2HB   LYS  46          1HB       LYS  46   5.380 -14.346   5.114
  336   1HG   LYS  46          2HG       LYS  46   6.595 -12.766   7.232
  337   2HG   LYS  46          1HG       LYS  46   4.892 -13.121   7.521
  338   1HD   LYS  46          2HD       LYS  46   6.733 -15.302   6.631
  339   2HD   LYS  46          1HD       LYS  46   6.733 -14.792   8.320
  340   1HE   LYS  46          2HE       LYS  46   5.062 -16.261   8.570
  341   2HE   LYS  46          1HE       LYS  46   4.062 -15.034   7.793
  342   1HZ   LYS  46          1HZ       LYS  46   5.526 -16.869   6.056
  343   2HZ   LYS  46          2HZ       LYS  46   3.992 -16.184   5.857
  344   3HZ   LYS  46          3HZ       LYS  46   4.201 -17.498   6.901
  345    HA   PRO  47           HA       PRO  47   7.667 -14.494   1.130
  346   1HB   PRO  47          2HB       PRO  47   7.624 -17.229   1.643
  347   2HB   PRO  47          1HB       PRO  47   9.038 -16.195   1.692
  348   1HG   PRO  47          2HG       PRO  47   7.710 -17.482   3.840
  349   2HG   PRO  47          1HG       PRO  47   9.198 -16.541   3.874
  350   1HD   PRO  47          2HD       PRO  47   6.540 -15.785   4.724
  351   2HD   PRO  47          1HD       PRO  47   8.079 -14.931   4.947
  352    H    GLY  48           H        GLY  48   5.470 -13.693   0.689
  353   1HA   GLY  48          2HA       GLY  48   3.907 -15.477  -0.711
  354   2HA   GLY  48          1HA       GLY  48   3.214 -15.433   0.909
  355    H    VAL  49           H        VAL  49   3.918 -12.643   1.341
  356    HA   VAL  49           HA       VAL  49   1.712 -11.448  -0.157
  357    HB   VAL  49           HB       VAL  49   3.251 -10.297   2.175
  358   1HG1  VAL  49          1HG1      VAL  49   0.618  -9.295   2.014
  359   2HG1  VAL  49          2HG1      VAL  49   1.311  -9.186   0.396
  360   3HG1  VAL  49          3HG1      VAL  49   2.132  -8.426   1.760
  361   1HG2  VAL  49          1HG2      VAL  49   0.834 -12.058   2.053
  362   2HG2  VAL  49          2HG2      VAL  49   1.033 -10.904   3.372
  363   3HG2  VAL  49          3HG2      VAL  49   2.241 -12.162   3.110
  364    H    ASN  50           H        ASN  50   1.941  -9.741  -1.539
  365    HA   ASN  50           HA       ASN  50   4.666  -9.124  -2.371
  366   1HB   ASN  50          2HB       ASN  50   2.210  -8.040  -3.715
  367   2HB   ASN  50          1HB       ASN  50   3.790  -8.401  -4.413
  368   1HD2  ASN  50          1HD2      ASN  50   0.657  -9.439  -4.096
  369   2HD2  ASN  50          2HD2      ASN  50   0.868 -11.097  -4.569
  370    H    LEU  51           H        LEU  51   5.412  -6.990  -2.664
  371    HA   LEU  51           HA       LEU  51   3.935  -4.767  -1.585
  372   1HB   LEU  51          2HB       LEU  51   5.024  -6.034   0.357
  373   2HB   LEU  51          1HB       LEU  51   6.556  -5.486  -0.293
  374    HG   LEU  51           HG       LEU  51   4.890  -3.203  -0.065
  375   1HD1  LEU  51          1HD1      LEU  51   4.009  -5.102   1.727
  376   2HD1  LEU  51          2HD1      LEU  51   3.761  -3.360   1.846
  377   3HD1  LEU  51          3HD1      LEU  51   5.119  -4.116   2.680
  378   1HD2  LEU  51          1HD2      LEU  51   7.454  -4.216   0.961
  379   2HD2  LEU  51          2HD2      LEU  51   6.689  -2.963   1.939
  380   3HD2  LEU  51          3HD2      LEU  51   7.053  -2.657   0.241
  381    H    ASN  52           H        ASN  52   4.917  -2.727  -2.097
  382    HA   ASN  52           HA       ASN  52   7.476  -2.685  -3.411
  383   1HB   ASN  52          2HB       ASN  52   6.889  -2.488  -5.587
  384   2HB   ASN  52          1HB       ASN  52   5.450  -3.352  -5.067
  385   1HD2  ASN  52          1HD2      ASN  52   3.692  -1.828  -4.203
  386   2HD2  ASN  52          2HD2      ASN  52   3.378  -0.431  -5.171
  387    H    CYS  53           H        CYS  53   8.446  -0.916  -2.754
  388    HA   CYS  53           HA       CYS  53   6.944   1.340  -1.721
  389   1HB   CYS  53          2HB       CYS  53   9.932   1.285  -1.939
  390   2HB   CYS  53          1HB       CYS  53   8.911   1.992  -0.692
  391    H    CYS  54           H        CYS  54   7.308   3.513  -2.415
  392    HA   CYS  54           HA       CYS  54   8.702   4.011  -4.895
  393   1HB   CYS  54          2HB       CYS  54   6.510   5.050  -5.852
  394   2HB   CYS  54          1HB       CYS  54   6.793   3.317  -6.024
  395    H    ARG  55           H        ARG  55   8.750   6.194  -5.493
  396    HA   ARG  55           HA       ARG  55   8.314   7.979  -3.215
  397   1HB   ARG  55          2HB       ARG  55  10.364   8.865  -5.021
  398   2HB   ARG  55          1HB       ARG  55  10.464   8.505  -3.307
  399   1HG   ARG  55          2HG       ARG  55  10.662   6.071  -3.982
  400   2HG   ARG  55          1HG       ARG  55  10.932   6.671  -5.625
  401   1HD   ARG  55          2HD       ARG  55  13.022   7.328  -5.158
  402   2HD   ARG  55          1HD       ARG  55  12.557   8.019  -3.605
  403    HE   ARG  55           HE       ARG  55  12.482   5.363  -3.131
  404   1HH1  ARG  55          1HH1      ARG  55  14.906   7.457  -4.517
  405   2HH1  ARG  55          2HH1      ARG  55  16.234   6.492  -3.966
  406   1HH2  ARG  55          1HH2      ARG  55  14.228   4.092  -2.406
  407   2HH2  ARG  55          2HH2      ARG  55  15.849   4.583  -2.768
  408    H    THR  56           H        THR  56   6.319   7.622  -5.185
  409    HA   THR  56           HA       THR  56   6.365  10.286  -6.429
  410    HB   THR  56           HB       THR  56   4.876   8.174  -7.872
  411    HG1  THR  56           1HG      THR  56   6.798   7.449  -8.885
  412   1HG2  THR  56          1HG2      THR  56   4.827  10.058  -9.123
  413   2HG2  THR  56          2HG2      THR  56   6.315   9.350  -9.750
  414   3HG2  THR  56          3HG2      THR  56   6.389  10.627  -8.536
  415    H    ASP  57           H        ASP  57   4.326  11.299  -6.668
  416    HA   ASP  57           HA       ASP  57   2.529  10.829  -4.546
  417   1HB   ASP  57          2HB       ASP  57   2.598  12.638  -6.918
  418   2HB   ASP  57          1HB       ASP  57   1.056  12.423  -6.087
  419    H    ARG  58           H        ARG  58   0.805   9.532  -4.387
  420    HA   ARG  58           HA       ARG  58  -0.793   7.995  -4.907
  421   1HB   ARG  58          2HB       ARG  58  -0.764   9.559  -7.492
  422   2HB   ARG  58          1HB       ARG  58  -1.921   8.271  -7.153
  423   1HG   ARG  58          2HG       ARG  58  -2.620   9.560  -5.124
  424   2HG   ARG  58          1HG       ARG  58  -1.606  10.885  -5.700
  425   1HD   ARG  58          2HD       ARG  58  -3.341   9.897  -7.793
  426   2HD   ARG  58          1HD       ARG  58  -4.264  10.383  -6.372
  427    HE   ARG  58           HE       ARG  58  -2.360  12.365  -6.998
  428   1HH1  ARG  58          1HH1      ARG  58  -5.373  11.036  -8.156
  429   2HH1  ARG  58          2HH1      ARG  58  -5.879  12.512  -8.908
  430   1HH2  ARG  58          1HH2      ARG  58  -3.025  14.307  -7.987
  431   2HH2  ARG  58          2HH2      ARG  58  -4.545  14.368  -8.812
  432    H    CYS  59           H        CYS  59   2.053   7.465  -5.434
  433    HA   CYS  59           HA       CYS  59   2.352   5.959  -7.801
  434   1HB   CYS  59          2HB       CYS  59   4.427   5.209  -6.833
  435   2HB   CYS  59          1HB       CYS  59   4.218   6.922  -6.478
  436    H    ASN  60           H        ASN  60   1.156   5.192  -4.610
  437    HA   ASN  60           HA       ASN  60   1.088   2.329  -5.226
  438   1HB   ASN  60          2HB       ASN  60   0.243   2.167  -2.833
  439   2HB   ASN  60          1HB       ASN  60   1.894   2.763  -3.033
  440   1HD2  ASN  60          1HD2      ASN  60   1.413   3.511  -0.809
  441   2HD2  ASN  60          2HD2      ASN  60   0.687   5.079  -0.627
  442    H    ASN  61           H        ASN  61  -0.628   4.205  -6.651
  443    HA   ASN  61           HA       ASN  61  -3.257   4.172  -5.656
  444   1HB   ASN  61          2HB       ASN  61  -3.905   4.812  -7.912
  445   2HB   ASN  61          1HB       ASN  61  -2.466   5.696  -7.431
  446   1HD2  ASN  61          1HD2      ASN  61  -0.648   5.499  -8.598
  447   2HD2  ASN  61          2HD2      ASN  61  -0.485   4.486  -9.998
  Start of MODEL   11
    1   1H    LEU   1          1HT       LEU   1   4.960  15.980  -2.423
    2   2H    LEU   1          2HT       LEU   1   4.962  14.815  -1.162
    3   3H    LEU   1          3HT       LEU   1   3.807  16.085  -1.160
    4    HA   LEU   1           HA       LEU   1   3.015  15.190  -3.315
    5   1HB   LEU   1          2HB       LEU   1   3.583  12.914  -3.832
    6   2HB   LEU   1          1HB       LEU   1   5.057  13.858  -3.709
    7    HG   LEU   1           HG       LEU   1   4.270  12.581  -1.203
    8   1HD1  LEU   1          1HD1      LEU   1   5.136  10.835  -3.503
    9   2HD1  LEU   1          2HD1      LEU   1   3.511  10.872  -2.818
   10   3HD1  LEU   1          3HD1      LEU   1   4.870  10.331  -1.833
   11   1HD2  LEU   1          1HD2      LEU   1   6.502  13.727  -2.144
   12   2HD2  LEU   1          2HD2      LEU   1   6.854  12.039  -2.517
   13   3HD2  LEU   1          3HD2      LEU   1   6.500  12.520  -0.858
   14    H    GLU   2           H        GLU   2   1.591  12.997  -3.185
   15    HA   GLU   2           HA       GLU   2   0.618  12.592  -0.466
   16   1HB   GLU   2          2HB       GLU   2  -0.855  14.007  -2.620
   17   2HB   GLU   2          1HB       GLU   2  -1.773  12.853  -1.663
   18   1HG   GLU   2          2HG       GLU   2  -1.106  14.032   0.380
   19   2HG   GLU   2          1HG       GLU   2  -0.219  15.201  -0.598
   20    H    CYS   3           H        CYS   3   0.851  10.445  -0.328
   21    HA   CYS   3           HA       CYS   3   0.446   8.713  -2.580
   22   1HB   CYS   3          2HB       CYS   3   0.810   7.898   0.303
   23   2HB   CYS   3          1HB       CYS   3   1.185   6.969  -1.146
   24    H    HIS   4           H        HIS   4  -0.721   6.488  -1.409
   25    HA   HIS   4           HA       HIS   4  -3.462   7.418  -0.860
   26   1HB   HIS   4          2HB       HIS   4  -2.474   5.186  -2.620
   27   2HB   HIS   4          1HB       HIS   4  -4.114   5.177  -1.968
   28    HD1  HIS   4           1HD      HIS   4  -5.259   7.789  -2.438
   29    HD2  HIS   4           2HD      HIS   4  -2.511   6.187  -5.114
   30    HE1  HIS   4           1HE      HIS   4  -5.645   9.005  -4.604
   31    HE2  HIS   4           2HE      HIS   4  -4.059   7.930  -6.239
   32    H    ASN   5           H        ASN   5  -4.814   5.802   0.282
   33    HA   ASN   5           HA       ASN   5  -3.448   3.779   1.827
   34   1HB   ASN   5          2HB       ASN   5  -4.056   4.717   4.014
   35   2HB   ASN   5          1HB       ASN   5  -2.971   5.804   3.139
   36   1HD2  ASN   5          1HD2      ASN   5  -5.704   5.648   4.955
   37   2HD2  ASN   5          2HD2      ASN   5  -6.455   7.139   4.474
   38    H    GLN   6           H        GLN   6  -5.344   3.331   0.000
   39    HA   GLN   6           HA       GLN   6  -7.798   2.867   1.565
   40   1HB   GLN   6          2HB       GLN   6  -8.949   2.764  -0.673
   41   2HB   GLN   6          1HB       GLN   6  -8.331   4.347  -0.221
   42   1HG   GLN   6          2HG       GLN   6  -6.998   4.443  -1.992
   43   2HG   GLN   6          1HG       GLN   6  -6.386   2.812  -1.719
   44   1HE2  GLN   6          1HE2      GLN   6  -6.815   3.803  -4.252
   45   2HE2  GLN   6          2HE2      GLN   6  -8.134   2.945  -4.986
   46    H    GLN   7           H        GLN   7  -7.713   0.827   2.278
   47    HA   GLN   7           HA       GLN   7  -6.485  -1.281   0.756
   48   1HB   GLN   7          2HB       GLN   7  -7.391  -2.693   2.669
   49   2HB   GLN   7          1HB       GLN   7  -6.218  -1.461   3.097
   50   1HG   GLN   7          2HG       GLN   7  -7.794  -0.137   4.137
   51   2HG   GLN   7          1HG       GLN   7  -9.137  -0.861   3.253
   52   1HE2  GLN   7          1HE2      GLN   7 -10.366  -2.164   4.386
   53   2HE2  GLN   7          2HE2      GLN   7  -9.885  -3.071   5.786
   54    H    SER   8           H        SER   8  -8.061  -3.460   1.029
   55    HA   SER   8           HA       SER   8  -9.818  -3.338  -1.089
   56   1HB   SER   8          2HB       SER   8 -10.789  -5.440  -0.258
   57   2HB   SER   8          1HB       SER   8  -9.022  -5.462  -0.170
   58    HG   SER   8           HG       SER   8  -9.910  -6.242   1.757
   59    H    SER   9           H        SER   9 -11.539  -2.137  -1.344
   60    HA   SER   9           HA       SER   9 -13.948  -2.242  -0.234
   61   1HB   SER   9          2HB       SER   9 -12.145  -0.777   1.625
   62   2HB   SER   9          1HB       SER   9 -13.742  -0.081   1.358
   63    HG   SER   9           HG       SER   9 -14.510  -1.565   2.612
   64    H    GLN  10           H        GLN  10 -14.931  -1.327  -1.909
   65    HA   GLN  10           HA       GLN  10 -14.001   0.456  -3.722
   66   1HB   GLN  10          2HB       GLN  10 -16.863   0.610  -2.802
   67   2HB   GLN  10          1HB       GLN  10 -16.217   0.832  -4.422
   68   1HG   GLN  10          2HG       GLN  10 -16.806  -1.252  -4.822
   69   2HG   GLN  10          1HG       GLN  10 -15.480  -1.747  -3.765
   70   1HE2  GLN  10          1HE2      GLN  10 -16.692  -0.740  -1.351
   71   2HE2  GLN  10          2HE2      GLN  10 -18.004  -1.807  -0.966
   72    H    ALA  11           H        ALA  11 -14.619   2.744  -4.132
   73    HA   ALA  11           HA       ALA  11 -14.750   4.955  -3.573
   74   1HB   ALA  11          1HB       ALA  11 -15.186   4.483  -0.683
   75   2HB   ALA  11          2HB       ALA  11 -16.427   3.889  -1.786
   76   3HB   ALA  11          3HB       ALA  11 -15.992   5.598  -1.787
   77    HA   PRO  12           HA       PRO  12 -10.284   4.168  -2.230
   78   1HB   PRO  12          2HB       PRO  12 -10.242   6.382  -4.254
   79   2HB   PRO  12          1HB       PRO  12  -9.060   5.093  -3.975
   80   1HG   PRO  12          2HG       PRO  12 -10.746   4.842  -5.973
   81   2HG   PRO  12          1HG       PRO  12 -10.445   3.454  -4.900
   82   1HD   PRO  12          2HD       PRO  12 -12.803   5.297  -4.993
   83   2HD   PRO  12          1HD       PRO  12 -12.752   3.539  -4.715
   84    H    THR  13           H        THR  13  -8.693   5.924  -1.540
   85    HA   THR  13           HA       THR  13  -9.888   8.399  -0.617
   86    HB   THR  13           HB       THR  13 -10.449   6.819   1.181
   87    HG1  THR  13           1HG      THR  13  -8.347   8.524   2.011
   88   1HG2  THR  13          1HG2      THR  13  -8.213   6.270   2.574
   89   2HG2  THR  13          2HG2      THR  13  -7.626   6.071   0.923
   90   3HG2  THR  13          3HG2      THR  13  -9.009   5.133   1.485
   91    H    THR  14           H        THR  14  -8.251   9.830   0.415
   92    HA   THR  14           HA       THR  14  -5.503   9.175  -0.393
   93    HB   THR  14           HB       THR  14  -5.172  11.325  -1.385
   94    HG1  THR  14           1HG      THR  14  -7.764  11.914  -0.416
   95   1HG2  THR  14          1HG2      THR  14  -7.751  11.093  -2.647
   96   2HG2  THR  14          2HG2      THR  14  -6.969   9.522  -2.478
   97   3HG2  THR  14          3HG2      THR  14  -6.139  10.835  -3.313
   98    H    LYS  15           H        LYS  15  -3.855  10.217   0.789
   99    HA   LYS  15           HA       LYS  15  -4.494  11.996   2.953
  100   1HB   LYS  15          2HB       LYS  15  -4.875   9.391   3.572
  101   2HB   LYS  15          1HB       LYS  15  -3.169   9.552   3.965
  102   1HG   LYS  15          2HG       LYS  15  -3.942  10.200   5.963
  103   2HG   LYS  15          1HG       LYS  15  -4.166  11.759   5.166
  104   1HD   LYS  15          2HD       LYS  15  -6.412  11.585   5.185
  105   2HD   LYS  15          1HD       LYS  15  -6.381   9.858   4.820
  106   1HE   LYS  15          2HE       LYS  15  -5.665  10.986   7.517
  107   2HE   LYS  15          1HE       LYS  15  -7.302  10.495   7.084
  108   1HZ   LYS  15          1HZ       LYS  15  -6.772   8.323   7.183
  109   2HZ   LYS  15          2HZ       LYS  15  -5.539   8.863   8.206
  110   3HZ   LYS  15          3HZ       LYS  15  -5.207   8.545   6.579
  111    H    THR  16           H        THR  16  -2.280  11.731   4.525
  112    HA   THR  16           HA       THR  16   0.082  11.595   2.851
  113    HB   THR  16           HB       THR  16  -0.176  14.150   4.345
  114    HG1  THR  16           1HG      THR  16  -1.311  15.100   2.648
  115   1HG2  THR  16          1HG2      THR  16   0.727  14.682   1.810
  116   2HG2  THR  16          2HG2      THR  16   1.399  13.087   2.154
  117   3HG2  THR  16          3HG2      THR  16   1.728  14.436   3.243
  118    H    CYS  17           H        CYS  17   2.021  12.509   4.324
  119    HA   CYS  17           HA       CYS  17   1.636  11.704   7.106
  120   1HB   CYS  17          2HB       CYS  17   3.984  10.587   5.600
  121   2HB   CYS  17          1HB       CYS  17   3.287  10.045   7.127
  122    H    SER  18           H        SER  18   3.332  12.406   8.523
  123    HA   SER  18           HA       SER  18   4.409  14.948   7.773
  124   1HB   SER  18          2HB       SER  18   5.603  14.469  10.142
  125   2HB   SER  18          1HB       SER  18   3.937  15.031  10.005
  126    HG   SER  18           HG       SER  18   3.212  13.077  10.517
  127    H    GLY  19           H        GLY  19   6.383  15.428   7.016
  128   1HA   GLY  19          2HA       GLY  19   8.525  15.149   6.235
  129   2HA   GLY  19          1HA       GLY  19   8.758  14.065   7.606
  130    H    GLU  20           H        GLU  20   6.521  13.702   4.894
  131    HA   GLU  20           HA       GLU  20   6.971  11.005   4.485
  132   1HB   GLU  20          2HB       GLU  20   5.743  13.202   2.950
  133   2HB   GLU  20          1HB       GLU  20   6.275  11.827   1.982
  134   1HG   GLU  20          2HG       GLU  20   4.999  10.476   3.861
  135   2HG   GLU  20          1HG       GLU  20   4.131  12.003   4.024
  136    H    THR  21           H        THR  21   8.552   9.844   3.624
  137    HA   THR  21           HA       THR  21  10.580  11.227   1.996
  138    HB   THR  21           HB       THR  21  11.422   8.707   3.223
  139    HG1  THR  21           1HG      THR  21  10.595  10.869   4.843
  140   1HG2  THR  21          1HG2      THR  21  12.740  11.273   3.854
  141   2HG2  THR  21          2HG2      THR  21  12.758  10.746   2.172
  142   3HG2  THR  21          3HG2      THR  21  13.435   9.709   3.427
  143    H    ASN  22           H        ASN  22   9.048   8.090   2.575
  144    HA   ASN  22           HA       ASN  22   8.876   7.630  -0.285
  145   1HB   ASN  22          2HB       ASN  22   9.949   5.286   1.175
  146   2HB   ASN  22          1HB       ASN  22  10.261   5.832  -0.473
  147   1HD2  ASN  22          1HD2      ASN  22  11.629   5.344   2.445
  148   2HD2  ASN  22          2HD2      ASN  22  12.961   6.454   2.341
  149    H    CYS  23           H        CYS  23   7.240   6.205  -0.854
  150    HA   CYS  23           HA       CYS  23   5.550   5.284   1.368
  151   1HB   CYS  23          2HB       CYS  23   4.928   6.532  -1.265
  152   2HB   CYS  23          1HB       CYS  23   3.806   5.325  -0.640
  153    H    TYR  24           H        TYR  24   3.914   3.522   0.252
  154    HA   TYR  24           HA       TYR  24   5.273   1.739  -1.543
  155   1HB   TYR  24          2HB       TYR  24   5.383  -0.167   0.037
  156   2HB   TYR  24          1HB       TYR  24   6.467   1.154   0.474
  157    HD1  TYR  24           1HD      TYR  24   5.695   2.764   2.302
  158    HD2  TYR  24           2HD      TYR  24   3.811  -0.979   1.572
  159    HE1  TYR  24           1HE      TYR  24   4.712   2.824   4.555
  160    HE2  TYR  24           2HE      TYR  24   2.823  -0.924   3.824
  161    HH   TYR  24           HH       TYR  24   2.211   0.826   5.525
  162    H    LYS  25           H        LYS  25   4.085  -0.447  -1.570
  163    HA   LYS  25           HA       LYS  25   1.285  -0.367  -0.891
  164   1HB   LYS  25          2HB       LYS  25   1.687   0.848  -3.192
  165   2HB   LYS  25          1HB       LYS  25   1.857  -0.799  -3.799
  166   1HG   LYS  25          2HG       LYS  25  -0.386  -1.259  -2.691
  167   2HG   LYS  25          1HG       LYS  25  -0.545   0.493  -2.564
  168   1HD   LYS  25          2HD       LYS  25  -0.695   0.778  -4.845
  169   2HD   LYS  25          1HD       LYS  25   0.184  -0.711  -5.194
  170   1HE   LYS  25          2HE       LYS  25  -1.905  -1.834  -4.074
  171   2HE   LYS  25          1HE       LYS  25  -2.690  -0.314  -4.500
  172   1HZ   LYS  25          1HZ       LYS  25  -1.690  -2.441  -6.233
  173   2HZ   LYS  25          2HZ       LYS  25  -1.544  -0.854  -6.802
  174   3HZ   LYS  25          3HZ       LYS  25  -3.066  -1.470  -6.396
  175    H    LYS  26           H        LYS  26   0.822  -2.359  -0.226
  176    HA   LYS  26           HA       LYS  26   2.332  -4.588  -1.421
  177   1HB   LYS  26          2HB       LYS  26   1.813  -5.736   0.823
  178   2HB   LYS  26          1HB       LYS  26   3.077  -4.526   0.774
  179   1HG   LYS  26          2HG       LYS  26   0.494  -3.370   1.381
  180   2HG   LYS  26          1HG       LYS  26   0.958  -4.622   2.535
  181   1HD   LYS  26          2HD       LYS  26   3.172  -2.862   1.905
  182   2HD   LYS  26          1HD       LYS  26   1.785  -1.971   2.531
  183   1HE   LYS  26          2HE       LYS  26   1.953  -2.890   4.589
  184   2HE   LYS  26          1HE       LYS  26   2.467  -4.455   3.962
  185   1HZ   LYS  26          1HZ       LYS  26   4.593  -3.936   4.271
  186   2HZ   LYS  26          2HZ       LYS  26   4.061  -2.617   5.187
  187   3HZ   LYS  26          3HZ       LYS  26   4.430  -2.414   3.549
  188    H    TRP  27           H        TRP  27   1.303  -6.622  -1.496
  189    HA   TRP  27           HA       TRP  27  -1.500  -6.863  -1.011
  190   1HB   TRP  27          2HB       TRP  27  -2.091  -7.439  -3.376
  191   2HB   TRP  27          1HB       TRP  27  -1.779  -5.751  -3.094
  192    HD1  TRP  27           HD       TRP  27  -0.692  -8.641  -5.073
  193    HE1  TRP  27           1HE      TRP  27   1.147  -7.956  -6.718
  194    HE3  TRP  27           3HE      TRP  27   0.311  -3.962  -3.278
  195    HZ2  TRP  27           2HZ      TRP  27   2.815  -5.736  -7.209
  196    HZ3  TRP  27           3HZ      TRP  27   2.039  -2.626  -4.398
  197    HH2  TRP  27           HH       TRP  27   3.265  -3.491  -6.321
  198    H    TRP  28           H        TRP  28  -2.310  -8.984  -1.445
  199    HA   TRP  28           HA       TRP  28  -0.438 -11.058  -2.197
  200   1HB   TRP  28          2HB       TRP  28  -0.607 -12.241  -0.012
  201   2HB   TRP  28          1HB       TRP  28   0.229 -10.696   0.113
  202    HD1  TRP  28           HD       TRP  28  -2.944 -12.443   1.165
  203    HE1  TRP  28           1HE      TRP  28  -4.119 -10.999   2.904
  204    HE3  TRP  28           3HE      TRP  28  -0.050  -8.244   0.883
  205    HZ2  TRP  28           2HZ      TRP  28  -3.884  -8.439   4.057
  206    HZ3  TRP  28           3HZ      TRP  28  -0.589  -6.340   2.345
  207    HH2  TRP  28           HH       TRP  28  -2.471  -6.438   3.900
  208    H    SER  29           H        SER  29  -1.565 -13.284  -1.436
  209    HA   SER  29           HA       SER  29  -4.457 -13.151  -1.762
  210   1HB   SER  29          2HB       SER  29  -3.112 -15.127  -3.528
  211   2HB   SER  29          1HB       SER  29  -4.601 -14.210  -3.786
  212    HG   SER  29           HG       SER  29  -2.886 -13.530  -5.161
  213    H    ASP  30           H        ASP  30  -5.454 -14.659  -0.546
  214    HA   ASP  30           HA       ASP  30  -3.805 -16.895   0.442
  215   1HB   ASP  30          2HB       ASP  30  -4.154 -15.293   2.231
  216   2HB   ASP  30          1HB       ASP  30  -5.896 -15.313   1.955
  217    H    HIS  31           H        HIS  31  -7.209 -16.444   1.197
  218    HA   HIS  31           HA       HIS  31  -7.911 -18.572  -0.693
  219   1HB   HIS  31          2HB       HIS  31  -9.361 -19.583   1.114
  220   2HB   HIS  31          1HB       HIS  31  -7.626 -19.773   1.347
  221    HD1  HIS  31           1HD      HIS  31 -10.507 -17.654   2.600
  222    HD2  HIS  31           2HD      HIS  31  -6.681 -18.821   3.725
  223    HE1  HIS  31           1HE      HIS  31 -10.212 -16.814   4.951
  224    HE2  HIS  31           2HE      HIS  31  -7.855 -17.450   5.577
  225    H    ARG  32           H        ARG  32  -9.117 -16.138   1.591
  226    HA   ARG  32           HA       ARG  32 -11.748 -16.055   0.557
  227   1HB   ARG  32          2HB       ARG  32 -10.114 -14.411   2.403
  228   2HB   ARG  32          1HB       ARG  32 -11.470 -13.590   1.629
  229   1HG   ARG  32          2HG       ARG  32 -13.040 -14.920   2.668
  230   2HG   ARG  32          1HG       ARG  32 -11.896 -16.235   2.947
  231   1HD   ARG  32          2HD       ARG  32 -10.701 -14.433   4.446
  232   2HD   ARG  32          1HD       ARG  32 -12.311 -13.714   4.480
  233    HE   ARG  32           HE       ARG  32 -12.282 -16.520   5.108
  234   1HH1  ARG  32          1HH1      ARG  32 -11.940 -13.296   6.400
  235   2HH1  ARG  32          2HH1      ARG  32 -12.376 -13.761   8.010
  236   1HH2  ARG  32          1HH2      ARG  32 -12.855 -17.132   7.224
  237   2HH2  ARG  32          2HH2      ARG  32 -12.894 -15.940   8.479
  238    H    GLY  33           H        GLY  33  -8.753 -14.643  -0.459
  239   1HA   GLY  33          2HA       GLY  33  -9.303 -14.062  -3.005
  240   2HA   GLY  33          1HA       GLY  33 -10.045 -12.690  -2.183
  241    H    THR  34           H        THR  34  -8.672 -11.166  -3.039
  242    HA   THR  34           HA       THR  34  -5.857 -11.346  -2.183
  243    HB   THR  34           HB       THR  34  -6.182  -9.380  -4.230
  244    HG1  THR  34           1HG      THR  34  -6.951 -10.685  -5.900
  245   1HG2  THR  34          1HG2      THR  34  -4.711 -11.947  -3.943
  246   2HG2  THR  34          2HG2      THR  34  -4.098 -10.311  -4.185
  247   3HG2  THR  34          3HG2      THR  34  -4.828 -11.187  -5.530
  248    H    ILE  35           H        ILE  35  -4.991  -9.677  -1.051
  249    HA   ILE  35           HA       ILE  35  -6.758  -7.381  -0.495
  250    HB   ILE  35           HB       ILE  35  -4.742  -8.520   1.436
  251   1HG1  ILE  35          2HG1      ILE  35  -7.741  -8.909   1.485
  252   2HG1  ILE  35          1HG1      ILE  35  -6.603 -10.125   0.913
  253   1HG2  ILE  35          1HG2      ILE  35  -5.898  -7.143   3.072
  254   2HG2  ILE  35          2HG2      ILE  35  -7.022  -6.586   1.832
  255   3HG2  ILE  35          3HG2      ILE  35  -5.313  -6.156   1.733
  256   1HD1  ILE  35          1HD1      ILE  35  -7.323  -9.355   3.633
  257   2HD1  ILE  35          2HD1      ILE  35  -5.589  -9.529   3.365
  258   3HD1  ILE  35          3HD1      ILE  35  -6.674 -10.872   3.011
  259    H    ILE  36           H        ILE  36  -5.771  -5.350  -0.197
  260    HA   ILE  36           HA       ILE  36  -2.922  -5.142  -0.845
  261    HB   ILE  36           HB       ILE  36  -3.272  -3.442  -2.519
  262   1HG1  ILE  36          2HG1      ILE  36  -6.224  -3.852  -1.985
  263   2HG1  ILE  36          1HG1      ILE  36  -5.293  -2.394  -1.667
  264   1HG2  ILE  36          1HG2      ILE  36  -3.731  -6.093  -2.882
  265   2HG2  ILE  36          2HG2      ILE  36  -3.613  -4.908  -4.184
  266   3HG2  ILE  36          3HG2      ILE  36  -5.195  -5.392  -3.572
  267   1HD1  ILE  36          1HD1      ILE  36  -6.634  -3.214  -4.060
  268   2HD1  ILE  36          2HD1      ILE  36  -4.922  -2.939  -4.379
  269   3HD1  ILE  36          3HD1      ILE  36  -5.900  -1.661  -3.660
  270    H    GLU  37           H        GLU  37  -1.908  -3.694   0.450
  271    HA   GLU  37           HA       GLU  37  -3.546  -1.603   1.711
  272   1HB   GLU  37          2HB       GLU  37  -1.582  -2.045   3.562
  273   2HB   GLU  37          1HB       GLU  37  -3.224  -2.681   3.652
  274   1HG   GLU  37          2HG       GLU  37  -2.575  -4.781   2.920
  275   2HG   GLU  37          1HG       GLU  37  -1.061  -4.192   2.245
  276    H    ARG  38           H        ARG  38  -2.177   0.188   2.640
  277    HA   ARG  38           HA       ARG  38   0.308   0.615   1.147
  278   1HB   ARG  38          2HB       ARG  38  -1.913   2.660   1.282
  279   2HB   ARG  38          1HB       ARG  38  -0.374   2.839   0.453
  280   1HG   ARG  38          2HG       ARG  38  -1.408   2.134  -1.377
  281   2HG   ARG  38          1HG       ARG  38  -1.447   0.533  -0.634
  282   1HD   ARG  38          2HD       ARG  38  -3.645   0.716  -0.030
  283   2HD   ARG  38          1HD       ARG  38  -3.574   2.472   0.104
  284    HE   ARG  38           HE       ARG  38  -4.124   2.640  -2.120
  285   1HH1  ARG  38          1HH1      ARG  38  -3.272  -0.667  -1.395
  286   2HH1  ARG  38          2HH1      ARG  38  -3.817  -1.272  -2.922
  287   1HH2  ARG  38          1HH2      ARG  38  -4.842   1.845  -4.127
  288   2HH2  ARG  38          2HH2      ARG  38  -4.707   0.152  -4.475
  289    H    GLY  39           H        GLY  39   1.251   2.871   1.906
  290   1HA   GLY  39          2HA       GLY  39   0.683   3.899   4.436
  291   2HA   GLY  39          1HA       GLY  39   1.835   2.592   4.660
  292    H    CYS  40           H        CYS  40   3.127   4.436   5.526
  293    HA   CYS  40           HA       CYS  40   4.539   5.820   3.340
  294   1HB   CYS  40          2HB       CYS  40   3.517   6.782   5.939
  295   2HB   CYS  40          1HB       CYS  40   5.146   7.320   5.525
  296    H    GLY  41           H        GLY  41   6.266   4.516   3.011
  297   1HA   GLY  41          2HA       GLY  41   8.572   4.632   4.380
  298   2HA   GLY  41          1HA       GLY  41   7.711   3.361   5.247
  299    H    CYS  42           H        CYS  42   9.350   1.869   4.622
  300    HA   CYS  42           HA       CYS  42   8.758   0.556   2.137
  301   1HB   CYS  42          2HB       CYS  42  10.360   2.316   1.417
  302   2HB   CYS  42          1HB       CYS  42  11.554   1.649   2.534
  303    HA   PRO  43           HA       PRO  43  10.404  -2.096   5.614
  304   1HB   PRO  43          2HB       PRO  43   8.152  -3.389   6.277
  305   2HB   PRO  43          1HB       PRO  43   8.511  -1.773   6.908
  306   1HG   PRO  43          2HG       PRO  43   6.701  -2.575   4.661
  307   2HG   PRO  43          1HG       PRO  43   6.434  -1.373   5.942
  308   1HD   PRO  43          2HD       PRO  43   7.248  -0.756   3.388
  309   2HD   PRO  43          1HD       PRO  43   7.576   0.255   4.812
  310    H    LYS  44           H        LYS  44   9.609  -4.647   5.834
  311    HA   LYS  44           HA       LYS  44  10.022  -5.722   3.129
  312   1HB   LYS  44          2HB       LYS  44  11.456  -6.168   5.435
  313   2HB   LYS  44          1HB       LYS  44  10.395  -7.568   5.374
  314   1HG   LYS  44          2HG       LYS  44  11.180  -7.839   2.960
  315   2HG   LYS  44          1HG       LYS  44  12.456  -6.696   3.381
  316   1HD   LYS  44          2HD       LYS  44  12.051  -8.948   5.249
  317   2HD   LYS  44          1HD       LYS  44  12.695  -9.362   3.659
  318   1HE   LYS  44          2HE       LYS  44  14.643  -8.937   4.778
  319   2HE   LYS  44          1HE       LYS  44  14.292  -7.329   4.144
  320   1HZ   LYS  44          1HZ       LYS  44  14.019  -6.519   6.186
  321   2HZ   LYS  44          2HZ       LYS  44  14.758  -7.933   6.746
  322   3HZ   LYS  44          3HZ       LYS  44  13.071  -7.826   6.694
  323    H    VAL  45           H        VAL  45   9.300  -8.317   3.441
  324    HA   VAL  45           HA       VAL  45   6.621  -8.451   4.549
  325    HB   VAL  45           HB       VAL  45   5.718  -9.326   2.335
  326   1HG1  VAL  45          1HG1      VAL  45   5.190  -7.110   3.384
  327   2HG1  VAL  45          2HG1      VAL  45   5.017  -7.164   1.629
  328   3HG1  VAL  45          3HG1      VAL  45   6.434  -6.402   2.352
  329   1HG2  VAL  45          1HG2      VAL  45   8.106  -7.827   1.262
  330   2HG2  VAL  45          2HG2      VAL  45   6.796  -8.520   0.306
  331   3HG2  VAL  45          3HG2      VAL  45   7.882  -9.576   1.209
  332    H    LYS  46           H        LYS  46   5.668 -10.651   4.270
  333    HA   LYS  46           HA       LYS  46   7.631 -12.621   4.856
  334   1HB   LYS  46          2HB       LYS  46   4.718 -13.221   4.503
  335   2HB   LYS  46          1HB       LYS  46   5.866 -13.945   5.610
  336   1HG   LYS  46          2HG       LYS  46   5.360 -12.516   7.222
  337   2HG   LYS  46          1HG       LYS  46   5.536 -11.128   6.150
  338   1HD   LYS  46          2HD       LYS  46   3.271 -11.249   7.034
  339   2HD   LYS  46          1HD       LYS  46   3.271 -11.518   5.289
  340   1HE   LYS  46          2HE       LYS  46   2.703 -13.724   5.491
  341   2HE   LYS  46          1HE       LYS  46   3.472 -13.889   7.068
  342   1HZ   LYS  46          1HZ       LYS  46   0.817 -12.783   6.419
  343   2HZ   LYS  46          2HZ       LYS  46   1.594 -12.358   7.859
  344   3HZ   LYS  46          3HZ       LYS  46   1.223 -13.978   7.545
  345    HA   PRO  47           HA       PRO  47   7.640 -14.749   0.983
  346   1HB   PRO  47          2HB       PRO  47   7.212 -17.396   1.707
  347   2HB   PRO  47          1HB       PRO  47   8.744 -16.549   1.781
  348   1HG   PRO  47          2HG       PRO  47   7.119 -17.468   3.917
  349   2HG   PRO  47          1HG       PRO  47   8.719 -16.736   3.988
  350   1HD   PRO  47          2HD       PRO  47   6.141 -15.560   4.576
  351   2HD   PRO  47          1HD       PRO  47   7.767 -14.908   4.857
  352    H    GLY  48           H        GLY  48   5.972 -14.196  -0.303
  353   1HA   GLY  48          2HA       GLY  48   4.187 -15.579  -1.503
  354   2HA   GLY  48          1HA       GLY  48   3.394 -15.579   0.072
  355    H    VAL  49           H        VAL  49   3.849 -13.018   0.901
  356    HA   VAL  49           HA       VAL  49   1.925 -11.563  -0.660
  357    HB   VAL  49           HB       VAL  49   1.744 -11.404   1.710
  358   1HG1  VAL  49          1HG1      VAL  49   3.672 -11.822   2.779
  359   2HG1  VAL  49          2HG1      VAL  49   3.785 -10.063   2.816
  360   3HG1  VAL  49          3HG1      VAL  49   4.650 -10.977   1.580
  361   1HG2  VAL  49          1HG2      VAL  49   2.946  -8.739   1.141
  362   2HG2  VAL  49          2HG2      VAL  49   1.423  -9.143   1.932
  363   3HG2  VAL  49          3HG2      VAL  49   1.567  -9.269   0.180
  364    H    ASN  50           H        ASN  50   2.255  -9.714  -1.850
  365    HA   ASN  50           HA       ASN  50   5.031  -9.187  -2.611
  366   1HB   ASN  50          2HB       ASN  50   2.591  -8.069  -3.978
  367   2HB   ASN  50          1HB       ASN  50   4.213  -8.285  -4.636
  368   1HD2  ASN  50          1HD2      ASN  50   1.139  -9.653  -4.189
  369   2HD2  ASN  50          2HD2      ASN  50   1.467 -11.208  -4.890
  370    H    LEU  51           H        LEU  51   5.762  -7.002  -2.915
  371    HA   LEU  51           HA       LEU  51   4.308  -4.816  -1.756
  372   1HB   LEU  51          2HB       LEU  51   5.044  -5.668   0.312
  373   2HB   LEU  51          1HB       LEU  51   6.618  -6.099  -0.327
  374    HG   LEU  51           HG       LEU  51   6.975  -3.554  -0.598
  375   1HD1  LEU  51          1HD1      LEU  51   5.614  -2.084   0.482
  376   2HD1  LEU  51          2HD1      LEU  51   5.066  -3.281   1.656
  377   3HD1  LEU  51          3HD1      LEU  51   4.422  -3.296   0.014
  378   1HD2  LEU  51          1HD2      LEU  51   6.830  -4.217   2.275
  379   2HD2  LEU  51          2HD2      LEU  51   8.180  -3.615   1.311
  380   3HD2  LEU  51          3HD2      LEU  51   7.749  -5.324   1.254
  381    H    ASN  52           H        ASN  52   5.218  -2.802  -2.303
  382    HA   ASN  52           HA       ASN  52   7.820  -2.706  -3.552
  383   1HB   ASN  52          2HB       ASN  52   7.210  -2.222  -5.738
  384   2HB   ASN  52          1HB       ASN  52   6.045  -3.465  -5.299
  385   1HD2  ASN  52          1HD2      ASN  52   4.084  -2.290  -4.037
  386   2HD2  ASN  52          2HD2      ASN  52   3.370  -1.023  -4.967
  387    H    CYS  53           H        CYS  53   8.762  -0.885  -2.956
  388    HA   CYS  53           HA       CYS  53   7.191   1.280  -1.850
  389   1HB   CYS  53          2HB       CYS  53  10.183   1.266  -2.139
  390   2HB   CYS  53          1HB       CYS  53   9.191   2.060  -0.921
  391    H    CYS  54           H        CYS  54   7.508   3.493  -2.494
  392    HA   CYS  54           HA       CYS  54   8.816   4.123  -4.970
  393   1HB   CYS  54          2HB       CYS  54   6.579   5.033  -5.933
  394   2HB   CYS  54          1HB       CYS  54   6.960   3.321  -6.121
  395    H    ARG  55           H        ARG  55   8.771   6.298  -5.500
  396    HA   ARG  55           HA       ARG  55   8.131   8.025  -3.225
  397   1HB   ARG  55          2HB       ARG  55  10.231   9.049  -4.893
  398   2HB   ARG  55          1HB       ARG  55  10.253   8.658  -3.183
  399   1HG   ARG  55          2HG       ARG  55  10.599   6.240  -3.927
  400   2HG   ARG  55          1HG       ARG  55  10.989   6.931  -5.509
  401   1HD   ARG  55          2HD       ARG  55  13.078   7.101  -4.729
  402   2HD   ARG  55          1HD       ARG  55  12.479   8.469  -3.792
  403    HE   ARG  55           HE       ARG  55  11.946   6.350  -2.199
  404   1HH1  ARG  55          1HH1      ARG  55  14.833   7.450  -3.820
  405   2HH1  ARG  55          2HH1      ARG  55  15.903   6.802  -2.622
  406   1HH2  ARG  55          1HH2      ARG  55  13.350   5.498  -0.622
  407   2HH2  ARG  55          2HH2      ARG  55  15.061   5.693  -0.807
  408    H    THR  56           H        THR  56   6.258   7.600  -5.263
  409    HA   THR  56           HA       THR  56   6.286  10.226  -6.598
  410    HB   THR  56           HB       THR  56   4.707   8.785  -8.256
  411    HG1  THR  56           1HG      THR  56   5.570   6.764  -8.536
  412   1HG2  THR  56          1HG2      THR  56   7.480   9.646  -8.322
  413   2HG2  THR  56          2HG2      THR  56   6.231   9.729  -9.566
  414   3HG2  THR  56          3HG2      THR  56   7.161   8.247  -9.348
  415    H    ASP  57           H        ASP  57   4.215  11.201  -6.937
  416    HA   ASP  57           HA       ASP  57   2.463  10.936  -4.748
  417   1HB   ASP  57          2HB       ASP  57   0.989  12.471  -6.141
  418   2HB   ASP  57          1HB       ASP  57   2.609  13.069  -5.778
  419    H    ARG  58           H        ARG  58   0.798   9.606  -4.425
  420    HA   ARG  58           HA       ARG  58  -0.801   8.023  -4.763
  421   1HB   ARG  58          2HB       ARG  58  -0.937   9.138  -7.571
  422   2HB   ARG  58          1HB       ARG  58  -2.181   8.198  -6.747
  423   1HG   ARG  58          2HG       ARG  58  -2.597   9.980  -5.207
  424   2HG   ARG  58          1HG       ARG  58  -1.219  10.896  -5.818
  425   1HD   ARG  58          2HD       ARG  58  -2.605  10.532  -8.102
  426   2HD   ARG  58          1HD       ARG  58  -3.929  10.565  -6.937
  427    HE   ARG  58           HE       ARG  58  -2.470  12.729  -6.252
  428   1HH1  ARG  58          1HH1      ARG  58  -3.773  11.618  -9.294
  429   2HH1  ARG  58          2HH1      ARG  58  -3.970  13.215  -9.935
  430   1HH2  ARG  58          1HH2      ARG  58  -2.729  14.829  -7.093
  431   2HH2  ARG  58          2HH2      ARG  58  -3.379  15.037  -8.685
  432    H    CYS  59           H        CYS  59   2.027   7.459  -5.366
  433    HA   CYS  59           HA       CYS  59   2.218   5.786  -7.632
  434   1HB   CYS  59          2HB       CYS  59   4.367   5.211  -6.826
  435   2HB   CYS  59          1HB       CYS  59   4.112   6.891  -6.361
  436    H    ASN  60           H        ASN  60   0.846   5.308  -4.524
  437    HA   ASN  60           HA       ASN  60   0.860   2.388  -4.903
  438   1HB   ASN  60          2HB       ASN  60   0.241   2.303  -2.472
  439   2HB   ASN  60          1HB       ASN  60   1.835   2.991  -2.792
  440   1HD2  ASN  60          1HD2      ASN  60   1.222   3.674  -0.487
  441   2HD2  ASN  60          2HD2      ASN  60   0.494   5.244  -0.345
  442    H    ASN  61           H        ASN  61  -0.916   4.267  -6.273
  443    HA   ASN  61           HA       ASN  61  -3.467   4.339  -5.115
  444   1HB   ASN  61          2HB       ASN  61  -4.163   4.410  -7.659
  445   2HB   ASN  61          1HB       ASN  61  -3.342   5.769  -6.912
  446   1HD2  ASN  61          1HD2      ASN  61  -1.839   2.725  -7.820
  447   2HD2  ASN  61          2HD2      ASN  61  -0.831   3.387  -9.067
  Start of MODEL   12
    1   1H    LEU   1          1HT       LEU   1   4.435  15.269  -0.897
    2   2H    LEU   1          2HT       LEU   1   5.524  14.087  -0.295
    3   3H    LEU   1          3HT       LEU   1   3.988  14.296   0.442
    4    HA   LEU   1           HA       LEU   1   4.329  13.507  -2.364
    5   1HB   LEU   1          2HB       LEU   1   4.973  12.046  -0.022
    6   2HB   LEU   1          1HB       LEU   1   3.500  11.361  -0.685
    7    HG   LEU   1           HG       LEU   1   5.535  10.250  -1.500
    8   1HD1  LEU   1          1HD1      LEU   1   3.544  10.164  -2.854
    9   2HD1  LEU   1          2HD1      LEU   1   4.976  10.271  -3.878
   10   3HD1  LEU   1          3HD1      LEU   1   3.972  11.698  -3.613
   11   1HD2  LEU   1          1HD2      LEU   1   7.270  11.293  -2.480
   12   2HD2  LEU   1          2HD2      LEU   1   6.652  12.700  -1.613
   13   3HD2  LEU   1          3HD2      LEU   1   6.231  12.453  -3.308
   14    H    GLU   2           H        GLU   2   2.341  11.658  -2.348
   15    HA   GLU   2           HA       GLU   2  -0.059  12.668  -1.143
   16   1HB   GLU   2          2HB       GLU   2   0.672  13.466  -3.872
   17   2HB   GLU   2          1HB       GLU   2  -0.934  12.762  -3.745
   18   1HG   GLU   2          2HG       GLU   2  -1.565  14.389  -2.085
   19   2HG   GLU   2          1HG       GLU   2   0.068  15.051  -2.074
   20    H    CYS   3           H        CYS   3   0.840  10.290  -0.693
   21    HA   CYS   3           HA       CYS   3  -0.005   8.326  -2.608
   22   1HB   CYS   3          2HB       CYS   3   0.600   7.697   0.260
   23   2HB   CYS   3          1HB       CYS   3   0.933   6.750  -1.187
   24    H    HIS   4           H        HIS   4  -1.145   6.373  -1.052
   25    HA   HIS   4           HA       HIS   4  -3.716   7.579  -0.264
   26   1HB   HIS   4          2HB       HIS   4  -3.221   4.905  -1.595
   27   2HB   HIS   4          1HB       HIS   4  -4.794   5.494  -1.052
   28    HD1  HIS   4           1HD      HIS   4  -5.806   7.527  -2.394
   29    HD2  HIS   4           2HD      HIS   4  -2.386   5.844  -4.051
   30    HE1  HIS   4           1HE      HIS   4  -5.709   8.390  -4.753
   31    HE2  HIS   4           2HE      HIS   4  -3.697   7.265  -5.770
   32    H    ASN   5           H        ASN   5  -5.006   5.621   0.933
   33    HA   ASN   5           HA       ASN   5  -3.417   4.040   2.701
   34   1HB   ASN   5          2HB       ASN   5  -4.266   5.213   4.794
   35   2HB   ASN   5          1HB       ASN   5  -2.997   6.049   3.895
   36   1HD2  ASN   5          1HD2      ASN   5  -3.621   7.802   2.516
   37   2HD2  ASN   5          2HD2      ASN   5  -5.037   8.733   2.889
   38    H    GLN   6           H        GLN   6  -5.456   3.439   0.933
   39    HA   GLN   6           HA       GLN   6  -7.753   2.860   2.680
   40   1HB   GLN   6          2HB       GLN   6  -8.879   2.356   0.409
   41   2HB   GLN   6          1HB       GLN   6  -8.600   4.034   0.851
   42   1HG   GLN   6          2HG       GLN   6  -6.936   4.314  -0.706
   43   2HG   GLN   6          1HG       GLN   6  -6.549   2.595  -0.759
   44   1HE2  GLN   6          1HE2      GLN   6  -6.763   3.872  -3.091
   45   2HE2  GLN   6          2HE2      GLN   6  -8.230   3.433  -3.911
   46    H    GLN   7           H        GLN   7  -7.779   0.864   3.472
   47    HA   GLN   7           HA       GLN   7  -6.230  -1.247   2.288
   48   1HB   GLN   7          2HB       GLN   7  -7.255  -2.587   4.178
   49   2HB   GLN   7          1HB       GLN   7  -6.257  -1.223   4.652
   50   1HG   GLN   7          2HG       GLN   7  -7.932  -0.303   5.767
   51   2HG   GLN   7          1HG       GLN   7  -9.002  -0.419   4.370
   52   1HE2  GLN   7          1HE2      GLN   7  -7.548  -2.498   6.853
   53   2HE2  GLN   7          2HE2      GLN   7  -8.971  -3.455   7.128
   54    H    SER   8           H        SER   8  -7.367  -3.484   2.176
   55    HA   SER   8           HA       SER   8  -8.816  -4.858   1.091
   56   1HB   SER   8          2HB       SER   8 -10.544  -2.799   2.300
   57   2HB   SER   8          1HB       SER   8 -11.266  -3.654   0.931
   58    HG   SER   8           HG       SER   8 -11.703  -5.059   2.456
   59    H    SER   9           H        SER   9 -10.391  -1.854   0.059
   60    HA   SER   9           HA       SER   9  -9.089  -1.525  -2.386
   61   1HB   SER   9          2HB       SER   9 -11.255  -3.556  -2.375
   62   2HB   SER   9          1HB       SER   9 -11.253  -2.412  -3.717
   63    HG   SER   9           HG       SER   9  -9.340  -4.336  -3.008
   64    H    GLN  10           H        GLN  10 -12.578  -1.686  -1.683
   65    HA   GLN  10           HA       GLN  10 -13.142   0.831  -2.798
   66   1HB   GLN  10          2HB       GLN  10 -14.607  -1.147  -1.150
   67   2HB   GLN  10          1HB       GLN  10 -15.241   0.498  -1.153
   68   1HG   GLN  10          2HG       GLN  10 -14.574  -0.516  -3.805
   69   2HG   GLN  10          1HG       GLN  10 -15.824  -1.447  -2.977
   70   1HE2  GLN  10          1HE2      GLN  10 -17.286  -0.708  -4.593
   71   2HE2  GLN  10          2HE2      GLN  10 -17.979   0.881  -4.492
   72    H    ALA  11           H        ALA  11 -14.568   2.363  -1.194
   73    HA   ALA  11           HA       ALA  11 -14.420   4.067   0.304
   74   1HB   ALA  11          1HB       ALA  11 -12.827   2.448   2.210
   75   2HB   ALA  11          2HB       ALA  11 -14.419   1.840   1.755
   76   3HB   ALA  11          3HB       ALA  11 -14.261   3.438   2.483
   77    HA   PRO  12           HA       PRO  12  -9.996   4.780  -1.267
   78   1HB   PRO  12          2HB       PRO  12 -11.512   7.254  -1.992
   79   2HB   PRO  12          1HB       PRO  12 -10.221   6.425  -2.876
   80   1HG   PRO  12          2HG       PRO  12 -12.696   6.088  -3.678
   81   2HG   PRO  12          1HG       PRO  12 -11.625   4.672  -3.529
   82   1HD   PRO  12          2HD       PRO  12 -13.788   5.606  -1.667
   83   2HD   PRO  12          1HD       PRO  12 -13.413   3.955  -2.218
   84    H    THR  13           H        THR  13  -8.492   6.317  -0.466
   85    HA   THR  13           HA       THR  13  -9.298   8.348   1.396
   86    HB   THR  13           HB       THR  13  -7.877   7.325   3.263
   87    HG1  THR  13           1HG      THR  13  -7.108   5.617   1.763
   88   1HG2  THR  13          1HG2      THR  13  -9.688   6.461   4.304
   89   2HG2  THR  13          2HG2      THR  13 -10.211   5.550   2.887
   90   3HG2  THR  13          3HG2      THR  13 -10.506   7.285   2.978
   91    H    THR  14           H        THR  14  -8.005   9.965   0.845
   92    HA   THR  14           HA       THR  14  -5.202   9.358   0.165
   93    HB   THR  14           HB       THR  14  -5.196  11.314  -1.255
   94    HG1  THR  14           1HG      THR  14  -7.906  11.702  -0.522
   95   1HG2  THR  14          1HG2      THR  14  -5.976   9.956  -2.822
   96   2HG2  THR  14          2HG2      THR  14  -7.563  10.660  -2.509
   97   3HG2  THR  14          3HG2      THR  14  -7.083   9.169  -1.697
   98    H    LYS  15           H        LYS  15  -3.572  10.515   1.108
   99    HA   LYS  15           HA       LYS  15  -4.085  12.835   2.723
  100   1HB   LYS  15          2HB       LYS  15  -4.586  10.559   4.047
  101   2HB   LYS  15          1HB       LYS  15  -2.848  10.643   4.301
  102   1HG   LYS  15          2HG       LYS  15  -3.246  11.986   6.014
  103   2HG   LYS  15          1HG       LYS  15  -3.766  13.210   4.855
  104   1HD   LYS  15          2HD       LYS  15  -5.850  11.260   5.378
  105   2HD   LYS  15          1HD       LYS  15  -5.308  12.057   6.856
  106   1HE   LYS  15          2HE       LYS  15  -5.793  14.210   5.969
  107   2HE   LYS  15          1HE       LYS  15  -6.059  13.553   4.355
  108   1HZ   LYS  15          1HZ       LYS  15  -7.742  12.459   6.451
  109   2HZ   LYS  15          2HZ       LYS  15  -8.135  12.907   4.867
  110   3HZ   LYS  15          3HZ       LYS  15  -8.018  14.086   6.075
  111    H    THR  16           H        THR  16  -1.952  13.328   4.040
  112    HA   THR  16           HA       THR  16   0.319  12.743   2.253
  113    HB   THR  16           HB       THR  16  -0.423  15.078   2.075
  114    HG1  THR  16           1HG      THR  16   1.578  15.700   1.984
  115   1HG2  THR  16          1HG2      THR  16   0.388  15.470   4.935
  116   2HG2  THR  16          2HG2      THR  16  -1.290  15.239   4.439
  117   3HG2  THR  16          3HG2      THR  16  -0.376  16.623   3.839
  118    H    CYS  17           H        CYS  17   2.478  13.189   3.403
  119    HA   CYS  17           HA       CYS  17   2.342  12.145   6.156
  120   1HB   CYS  17          2HB       CYS  17   4.547  11.554   4.175
  121   2HB   CYS  17          1HB       CYS  17   4.299  10.815   5.759
  122    H    SER  18           H        SER  18   4.095  12.751   7.564
  123    HA   SER  18           HA       SER  18   5.387  15.276   6.762
  124   1HB   SER  18          2HB       SER  18   5.339  15.401   9.493
  125   2HB   SER  18          1HB       SER  18   4.135  16.141   8.439
  126    HG   SER  18           HG       SER  18   2.749  14.532   8.858
  127    H    GLY  19           H        GLY  19   7.410  14.629   6.237
  128   1HA   GLY  19          2HA       GLY  19   9.638  14.339   7.024
  129   2HA   GLY  19          1HA       GLY  19   9.002  13.445   8.403
  130    H    GLU  20           H        GLU  20   8.051  12.888   5.068
  131    HA   GLU  20           HA       GLU  20   9.407  10.273   5.192
  132   1HB   GLU  20          2HB       GLU  20   6.653  11.025   4.477
  133   2HB   GLU  20          1HB       GLU  20   7.423   9.915   3.342
  134   1HG   GLU  20          2HG       GLU  20   6.583   8.373   4.746
  135   2HG   GLU  20          1HG       GLU  20   8.070   8.703   5.633
  136    H    THR  21           H        THR  21   9.246   9.385   2.689
  137    HA   THR  21           HA       THR  21  10.115  11.468   0.853
  138    HB   THR  21           HB       THR  21  12.119   9.884   0.278
  139    HG1  THR  21           1HG      THR  21  12.769   8.583   1.849
  140   1HG2  THR  21          1HG2      THR  21  12.308  11.497   2.804
  141   2HG2  THR  21          2HG2      THR  21  12.327  12.193   1.184
  142   3HG2  THR  21          3HG2      THR  21  13.607  11.088   1.684
  143    H    ASN  22           H        ASN  22   9.692   7.988   1.345
  144    HA   ASN  22           HA       ASN  22   8.417   7.854  -1.299
  145   1HB   ASN  22          2HB       ASN  22   9.493   5.325  -0.949
  146   2HB   ASN  22          1HB       ASN  22  10.128   6.583  -2.011
  147   1HD2  ASN  22          1HD2      ASN  22  10.295   5.339   1.282
  148   2HD2  ASN  22          2HD2      ASN  22  11.956   5.767   1.552
  149    H    CYS  23           H        CYS  23   6.843   6.183  -1.553
  150    HA   CYS  23           HA       CYS  23   5.653   5.333   0.999
  151   1HB   CYS  23          2HB       CYS  23   4.516   6.333  -1.557
  152   2HB   CYS  23          1HB       CYS  23   3.610   5.071  -0.724
  153    H    TYR  24           H        TYR  24   3.912   3.417   0.169
  154    HA   TYR  24           HA       TYR  24   5.300   1.528  -1.526
  155   1HB   TYR  24          2HB       TYR  24   5.338  -0.252   0.193
  156   2HB   TYR  24          1HB       TYR  24   6.404   1.098   0.585
  157    HD1  TYR  24           1HD      TYR  24   3.353  -0.700   1.506
  158    HD2  TYR  24           2HD      TYR  24   5.888   2.583   2.450
  159    HE1  TYR  24           1HE      TYR  24   2.251  -0.485   3.694
  160    HE2  TYR  24           2HE      TYR  24   4.794   2.807   4.641
  161    HH   TYR  24           HH       TYR  24   3.451   1.032   6.217
  162    H    LYS  25           H        LYS  25   4.100  -0.626  -1.484
  163    HA   LYS  25           HA       LYS  25   1.258  -0.428  -0.955
  164   1HB   LYS  25          2HB       LYS  25   1.976   0.434  -3.388
  165   2HB   LYS  25          1HB       LYS  25   1.923  -1.293  -3.725
  166   1HG   LYS  25          2HG       LYS  25  -0.398  -0.216  -2.277
  167   2HG   LYS  25          1HG       LYS  25  -0.192   0.357  -3.932
  168   1HD   LYS  25          2HD       LYS  25   0.277  -2.432  -3.944
  169   2HD   LYS  25          1HD       LYS  25  -1.195  -2.154  -3.015
  170   1HE   LYS  25          2HE       LYS  25  -2.358  -1.478  -4.821
  171   2HE   LYS  25          1HE       LYS  25  -0.986  -0.607  -5.503
  172   1HZ   LYS  25          1HZ       LYS  25  -0.790  -3.507  -5.511
  173   2HZ   LYS  25          2HZ       LYS  25  -0.335  -2.387  -6.695
  174   3HZ   LYS  25          3HZ       LYS  25  -1.956  -2.845  -6.543
  175    H    LYS  26           H        LYS  26   0.707  -2.290  -0.057
  176    HA   LYS  26           HA       LYS  26   2.195  -4.711  -0.834
  177   1HB   LYS  26          2HB       LYS  26   1.208  -5.301   1.646
  178   2HB   LYS  26          1HB       LYS  26   2.829  -4.720   1.320
  179   1HG   LYS  26          2HG       LYS  26   2.266  -2.506   1.913
  180   2HG   LYS  26          1HG       LYS  26   0.541  -2.869   1.905
  181   1HD   LYS  26          2HD       LYS  26   0.697  -3.246   4.095
  182   2HD   LYS  26          1HD       LYS  26   1.654  -4.680   3.716
  183   1HE   LYS  26          2HE       LYS  26   3.414  -2.502   3.530
  184   2HE   LYS  26          1HE       LYS  26   2.454  -2.224   4.982
  185   1HZ   LYS  26          1HZ       LYS  26   4.349  -4.369   4.388
  186   2HZ   LYS  26          2HZ       LYS  26   3.015  -4.753   5.355
  187   3HZ   LYS  26          3HZ       LYS  26   4.083  -3.532   5.834
  188    H    TRP  27           H        TRP  27   1.073  -6.696  -0.853
  189    HA   TRP  27           HA       TRP  27  -1.759  -6.760  -0.421
  190   1HB   TRP  27          2HB       TRP  27  -2.325  -7.503  -2.731
  191   2HB   TRP  27          1HB       TRP  27  -1.860  -5.827  -2.625
  192    HD1  TRP  27           HD       TRP  27  -0.998  -9.002  -4.251
  193    HE1  TRP  27           1HE      TRP  27   0.944  -8.660  -5.887
  194    HE3  TRP  27           3HE      TRP  27   0.381  -4.291  -2.884
  195    HZ2  TRP  27           2HZ      TRP  27   2.828  -6.656  -6.527
  196    HZ3  TRP  27           3HZ      TRP  27   2.260  -3.225  -4.062
  197    HH2  TRP  27           HH       TRP  27   3.458  -4.383  -5.844
  198    H    TRP  28           H        TRP  28  -2.688  -8.892  -0.881
  199    HA   TRP  28           HA       TRP  28  -0.882 -11.116  -1.246
  200   1HB   TRP  28          2HB       TRP  28  -1.378 -12.103   0.995
  201   2HB   TRP  28          1HB       TRP  28  -0.435 -10.617   1.092
  202    HD1  TRP  28           HD       TRP  28  -3.847 -12.027   1.903
  203    HE1  TRP  28           1HE      TRP  28  -5.077 -10.351   3.376
  204    HE3  TRP  28           3HE      TRP  28  -0.579  -8.103   1.633
  205    HZ2  TRP  28           2HZ      TRP  28  -4.752  -7.722   4.338
  206    HZ3  TRP  28           3HZ      TRP  28  -1.116  -6.042   2.865
  207    HH2  TRP  28           HH       TRP  28  -3.162  -5.857   4.189
  208    H    SER  29           H        SER  29  -2.235 -13.201  -0.419
  209    HA   SER  29           HA       SER  29  -5.003 -12.903  -1.374
  210   1HB   SER  29          2HB       SER  29  -3.150 -15.212  -2.026
  211   2HB   SER  29          1HB       SER  29  -4.822 -15.024  -2.569
  212    HG   SER  29           HG       SER  29  -3.029 -14.358  -4.045
  213    H    ASP  30           H        ASP  30  -6.518 -13.847  -0.101
  214    HA   ASP  30           HA       ASP  30  -5.523 -15.559   2.092
  215   1HB   ASP  30          2HB       ASP  30  -6.718 -13.153   2.391
  216   2HB   ASP  30          1HB       ASP  30  -8.135 -14.204   2.417
  217    H    HIS  31           H        HIS  31  -8.128 -15.045  -0.210
  218    HA   HIS  31           HA       HIS  31  -8.613 -17.744  -0.686
  219   1HB   HIS  31          2HB       HIS  31 -10.843 -17.986   0.422
  220   2HB   HIS  31          1HB       HIS  31  -9.500 -17.908   1.557
  221    HD1  HIS  31           1HD      HIS  31 -12.556 -16.086   0.473
  222    HD2  HIS  31           2HD      HIS  31  -9.405 -15.563   3.132
  223    HE1  HIS  31           1HE      HIS  31 -13.249 -14.191   1.972
  224    HE2  HIS  31           2HE      HIS  31 -11.288 -13.833   3.515
  225    H    ARG  32           H        ARG  32  -8.979 -17.317  -2.785
  226    HA   ARG  32           HA       ARG  32  -9.717 -16.325  -4.669
  227   1HB   ARG  32          2HB       ARG  32 -12.413 -16.357  -3.411
  228   2HB   ARG  32          1HB       ARG  32 -11.915 -16.829  -5.025
  229   1HG   ARG  32          2HG       ARG  32 -12.038 -18.927  -4.354
  230   2HG   ARG  32          1HG       ARG  32 -10.601 -18.612  -3.382
  231   1HD   ARG  32          2HD       ARG  32 -11.854 -18.220  -1.449
  232   2HD   ARG  32          1HD       ARG  32 -13.346 -17.978  -2.356
  233    HE   ARG  32           HE       ARG  32 -12.155 -20.503  -1.580
  234   1HH1  ARG  32          1HH1      ARG  32 -14.527 -18.880  -3.562
  235   2HH1  ARG  32          2HH1      ARG  32 -15.498 -20.296  -3.776
  236   1HH2  ARG  32          1HH2      ARG  32 -13.434 -22.365  -1.864
  237   2HH2  ARG  32          2HH2      ARG  32 -14.879 -22.274  -2.813
  238    H    GLY  33           H        GLY  33  -8.841 -14.469  -2.664
  239   1HA   GLY  33          2HA       GLY  33  -9.980 -12.067  -3.755
  240   2HA   GLY  33          1HA       GLY  33 -10.402 -12.319  -2.060
  241    H    THR  34           H        THR  34  -8.500 -10.489  -3.750
  242    HA   THR  34           HA       THR  34  -6.109 -10.886  -2.083
  243    HB   THR  34           HB       THR  34  -6.406  -9.405  -4.704
  244    HG1  THR  34           1HG      THR  34  -6.450 -11.669  -4.923
  245   1HG2  THR  34          1HG2      THR  34  -4.436  -9.042  -2.771
  246   2HG2  THR  34          2HG2      THR  34  -4.390  -8.536  -4.460
  247   3HG2  THR  34          3HG2      THR  34  -3.713 -10.095  -3.987
  248    H    ILE  35           H        ILE  35  -5.416  -9.328  -0.739
  249    HA   ILE  35           HA       ILE  35  -7.039  -6.873  -0.575
  250    HB   ILE  35           HB       ILE  35  -5.340  -8.085   1.606
  251   1HG1  ILE  35          2HG1      ILE  35  -7.884  -8.403   2.469
  252   2HG1  ILE  35          1HG1      ILE  35  -8.118  -8.621   0.738
  253   1HG2  ILE  35          1HG2      ILE  35  -7.153  -6.555   2.864
  254   2HG2  ILE  35          2HG2      ILE  35  -6.993  -5.656   1.355
  255   3HG2  ILE  35          3HG2      ILE  35  -5.571  -5.967   2.351
  256   1HD1  ILE  35          1HD1      ILE  35  -5.907 -10.171   1.300
  257   2HD1  ILE  35          2HD1      ILE  35  -7.560 -10.740   1.071
  258   3HD1  ILE  35          3HD1      ILE  35  -6.959 -10.405   2.695
  259    H    ILE  36           H        ILE  36  -5.967  -4.865  -0.170
  260    HA   ILE  36           HA       ILE  36  -3.062  -4.868  -0.533
  261    HB   ILE  36           HB       ILE  36  -3.109  -3.193  -2.256
  262   1HG1  ILE  36          2HG1      ILE  36  -6.125  -3.336  -2.022
  263   2HG1  ILE  36          1HG1      ILE  36  -5.108  -1.963  -1.596
  264   1HG2  ILE  36          1HG2      ILE  36  -3.382  -4.682  -3.901
  265   2HG2  ILE  36          2HG2      ILE  36  -5.080  -4.948  -3.506
  266   3HG2  ILE  36          3HG2      ILE  36  -3.822  -5.809  -2.619
  267   1HD1  ILE  36          1HD1      ILE  36  -5.326  -3.081  -4.376
  268   2HD1  ILE  36          2HD1      ILE  36  -4.549  -1.579  -3.877
  269   3HD1  ILE  36          3HD1      ILE  36  -6.301  -1.745  -3.765
  270    H    GLU  37           H        GLU  37  -2.039  -3.438   0.767
  271    HA   GLU  37           HA       GLU  37  -3.643  -1.261   1.935
  272   1HB   GLU  37          2HB       GLU  37  -1.687  -1.665   3.799
  273   2HB   GLU  37          1HB       GLU  37  -3.324  -2.308   3.903
  274   1HG   GLU  37          2HG       GLU  37  -2.590  -4.411   2.972
  275   2HG   GLU  37          1HG       GLU  37  -0.964  -3.772   2.741
  276    H    ARG  38           H        ARG  38  -2.292   0.578   2.732
  277    HA   ARG  38           HA       ARG  38   0.272   0.868   1.367
  278   1HB   ARG  38          2HB       ARG  38  -0.651   3.262   0.706
  279   2HB   ARG  38          1HB       ARG  38  -0.879   1.868  -0.341
  280   1HG   ARG  38          2HG       ARG  38  -2.979   2.414   1.675
  281   2HG   ARG  38          1HG       ARG  38  -2.858   3.510   0.298
  282   1HD   ARG  38          2HD       ARG  38  -2.699   0.691  -0.440
  283   2HD   ARG  38          1HD       ARG  38  -4.220   1.124   0.340
  284    HE   ARG  38           HE       ARG  38  -3.429   2.933  -1.752
  285   1HH1  ARG  38          1HH1      ARG  38  -5.107  -0.039  -1.018
  286   2HH1  ARG  38          2HH1      ARG  38  -6.098   0.025  -2.437
  287   1HH2  ARG  38          1HH2      ARG  38  -4.733   3.017  -3.618
  288   2HH2  ARG  38          2HH2      ARG  38  -5.887   1.760  -3.912
  289    H    GLY  39           H        GLY  39   1.346   2.976   1.978
  290   1HA   GLY  39          2HA       GLY  39   0.459   4.330   4.339
  291   2HA   GLY  39          1HA       GLY  39   1.729   3.168   4.691
  292    H    CYS  40           H        CYS  40   3.495   4.356   5.072
  293    HA   CYS  40           HA       CYS  40   4.550   5.971   2.898
  294   1HB   CYS  40          2HB       CYS  40   3.224   7.203   5.042
  295   2HB   CYS  40          1HB       CYS  40   4.943   7.418   5.377
  296    H    GLY  41           H        GLY  41   6.217   4.511   2.680
  297   1HA   GLY  41          2HA       GLY  41   8.585   4.885   3.975
  298   2HA   GLY  41          1HA       GLY  41   7.780   3.646   4.937
  299    H    CYS  42           H        CYS  42   9.415   2.140   4.401
  300    HA   CYS  42           HA       CYS  42   8.858   0.679   1.992
  301   1HB   CYS  42          2HB       CYS  42  10.457   2.446   1.218
  302   2HB   CYS  42          1HB       CYS  42  11.652   1.786   2.338
  303    HA   PRO  43           HA       PRO  43  10.590  -1.710   5.631
  304   1HB   PRO  43          2HB       PRO  43   8.352  -2.877   6.530
  305   2HB   PRO  43          1HB       PRO  43   8.789  -1.227   7.006
  306   1HG   PRO  43          2HG       PRO  43   6.824  -2.150   4.943
  307   2HG   PRO  43          1HG       PRO  43   6.668  -0.843   6.135
  308   1HD   PRO  43          2HD       PRO  43   7.339  -0.457   3.495
  309   2HD   PRO  43          1HD       PRO  43   7.779   0.655   4.810
  310    H    LYS  44           H        LYS  44  10.576  -4.091   5.917
  311    HA   LYS  44           HA       LYS  44  10.304  -5.401   3.324
  312   1HB   LYS  44          2HB       LYS  44  12.061  -5.675   5.610
  313   2HB   LYS  44          1HB       LYS  44  11.375  -7.229   5.157
  314   1HG   LYS  44          2HG       LYS  44  12.103  -6.667   2.780
  315   2HG   LYS  44          1HG       LYS  44  13.070  -5.385   3.511
  316   1HD   LYS  44          2HD       LYS  44  13.254  -8.218   4.481
  317   2HD   LYS  44          1HD       LYS  44  14.183  -7.668   3.085
  318   1HE   LYS  44          2HE       LYS  44  14.932  -5.746   4.647
  319   2HE   LYS  44          1HE       LYS  44  14.370  -6.798   5.945
  320   1HZ   LYS  44          1HZ       LYS  44  15.854  -8.515   4.612
  321   2HZ   LYS  44          2HZ       LYS  44  16.499  -7.507   5.807
  322   3HZ   LYS  44          3HZ       LYS  44  16.668  -7.097   4.175
  323    H    VAL  45           H        VAL  45   9.868  -7.965   3.805
  324    HA   VAL  45           HA       VAL  45   7.700  -8.382   5.661
  325    HB   VAL  45           HB       VAL  45   6.146  -9.182   3.816
  326   1HG1  VAL  45          1HG1      VAL  45   6.472  -6.243   3.534
  327   2HG1  VAL  45          2HG1      VAL  45   6.193  -6.895   5.149
  328   3HG1  VAL  45          3HG1      VAL  45   5.025  -7.196   3.862
  329   1HG2  VAL  45          1HG2      VAL  45   7.701  -9.240   1.976
  330   2HG2  VAL  45          2HG2      VAL  45   8.029  -7.517   2.151
  331   3HG2  VAL  45          3HG2      VAL  45   6.437  -8.061   1.624
  332    H    LYS  46           H        LYS  46   6.794 -10.643   5.404
  333    HA   LYS  46           HA       LYS  46   8.969 -12.463   5.200
  334   1HB   LYS  46          2HB       LYS  46   7.485 -14.086   6.145
  335   2HB   LYS  46          1HB       LYS  46   7.214 -12.564   6.977
  336   1HG   LYS  46          2HG       LYS  46   5.470 -12.750   4.720
  337   2HG   LYS  46          1HG       LYS  46   5.319 -14.199   5.717
  338   1HD   LYS  46          2HD       LYS  46   5.145 -11.368   6.749
  339   2HD   LYS  46          1HD       LYS  46   3.755 -12.388   6.374
  340   1HE   LYS  46          2HE       LYS  46   5.896 -13.176   8.338
  341   2HE   LYS  46          1HE       LYS  46   4.438 -12.299   8.803
  342   1HZ   LYS  46          1HZ       LYS  46   4.004 -14.694   7.226
  343   2HZ   LYS  46          2HZ       LYS  46   3.169 -14.122   8.583
  344   3HZ   LYS  46          3HZ       LYS  46   4.628 -14.956   8.778
  345    HA   PRO  47           HA       PRO  47   8.068 -14.168   1.238
  346   1HB   PRO  47          2HB       PRO  47   8.271 -16.902   1.727
  347   2HB   PRO  47          1HB       PRO  47   9.603 -15.811   1.402
  348   1HG   PRO  47          2HG       PRO  47   8.952 -17.140   3.819
  349   2HG   PRO  47          1HG       PRO  47  10.355 -16.139   3.459
  350   1HD   PRO  47          2HD       PRO  47   7.993 -15.487   4.994
  351   2HD   PRO  47          1HD       PRO  47   9.499 -14.569   4.802
  352    H    GLY  48           H        GLY  48   5.765 -13.413   1.690
  353   1HA   GLY  48          2HA       GLY  48   3.974 -15.438   0.786
  354   2HA   GLY  48          1HA       GLY  48   3.677 -15.040   2.477
  355    H    VAL  49           H        VAL  49   4.292 -12.300   2.357
  356    HA   VAL  49           HA       VAL  49   1.954 -11.326   0.872
  357    HB   VAL  49           HB       VAL  49   3.453  -9.920   3.086
  358   1HG1  VAL  49          1HG1      VAL  49   0.651  -9.258   2.641
  359   2HG1  VAL  49          2HG1      VAL  49   1.675  -8.909   1.249
  360   3HG1  VAL  49          3HG1      VAL  49   2.052  -8.202   2.820
  361   1HG2  VAL  49          1HG2      VAL  49   2.239 -10.972   4.655
  362   2HG2  VAL  49          2HG2      VAL  49   2.015 -12.210   3.418
  363   3HG2  VAL  49          3HG2      VAL  49   0.780 -10.976   3.665
  364    H    ASN  50           H        ASN  50   2.203 -10.012  -0.829
  365    HA   ASN  50           HA       ASN  50   4.867  -9.271  -1.656
  366   1HB   ASN  50          2HB       ASN  50   2.419  -8.319  -3.090
  367   2HB   ASN  50          1HB       ASN  50   3.975  -8.825  -3.747
  368   1HD2  ASN  50          1HD2      ASN  50   0.818  -9.777  -2.857
  369   2HD2  ASN  50          2HD2      ASN  50   0.948 -11.448  -3.309
  370    H    LEU  51           H        LEU  51   5.595  -7.167  -2.078
  371    HA   LEU  51           HA       LEU  51   4.057  -4.873  -1.310
  372   1HB   LEU  51          2HB       LEU  51   4.698  -5.563   0.889
  373   2HB   LEU  51          1HB       LEU  51   6.355  -5.835   0.385
  374    HG   LEU  51           HG       LEU  51   6.370  -3.288  -0.122
  375   1HD1  LEU  51          1HD1      LEU  51   3.890  -3.110   0.206
  376   2HD1  LEU  51          2HD1      LEU  51   4.857  -1.952   1.123
  377   3HD1  LEU  51          3HD1      LEU  51   4.172  -3.365   1.929
  378   1HD2  LEU  51          1HD2      LEU  51   6.215  -3.777   2.792
  379   2HD2  LEU  51          2HD2      LEU  51   7.481  -3.010   1.833
  380   3HD2  LEU  51          3HD2      LEU  51   7.341  -4.769   1.865
  381    H    ASN  52           H        ASN  52   4.988  -2.931  -2.050
  382    HA   ASN  52           HA       ASN  52   7.666  -3.004  -3.162
  383   1HB   ASN  52          2HB       ASN  52   7.163  -2.773  -5.400
  384   2HB   ASN  52          1HB       ASN  52   5.883  -3.865  -4.884
  385   1HD2  ASN  52          1HD2      ASN  52   4.020  -2.337  -3.796
  386   2HD2  ASN  52          2HD2      ASN  52   3.433  -1.157  -4.912
  387    H    CYS  53           H        CYS  53   8.663  -1.125  -2.885
  388    HA   CYS  53           HA       CYS  53   7.167   1.163  -1.927
  389   1HB   CYS  53          2HB       CYS  53  10.141   1.068  -2.361
  390   2HB   CYS  53          1HB       CYS  53   9.223   2.004  -1.188
  391    H    CYS  54           H        CYS  54   7.487   3.297  -2.805
  392    HA   CYS  54           HA       CYS  54   8.671   3.649  -5.394
  393   1HB   CYS  54          2HB       CYS  54   6.321   4.534  -6.245
  394   2HB   CYS  54          1HB       CYS  54   6.799   2.849  -6.455
  395    H    ARG  55           H        ARG  55   8.762   5.739  -6.082
  396    HA   ARG  55           HA       ARG  55   8.266   7.687  -3.954
  397   1HB   ARG  55          2HB       ARG  55  10.245   8.499  -5.879
  398   2HB   ARG  55          1HB       ARG  55  10.389   8.288  -4.143
  399   1HG   ARG  55          2HG       ARG  55  10.625   5.795  -4.666
  400   2HG   ARG  55          1HG       ARG  55  10.931   6.320  -6.325
  401   1HD   ARG  55          2HD       ARG  55  12.518   6.893  -3.840
  402   2HD   ARG  55          1HD       ARG  55  13.052   6.125  -5.335
  403    HE   ARG  55           HE       ARG  55  12.222   8.694  -5.973
  404   1HH1  ARG  55          1HH1      ARG  55  14.713   7.170  -4.065
  405   2HH1  ARG  55          2HH1      ARG  55  15.842   8.467  -4.272
  406   1HH2  ARG  55          1HH2      ARG  55  13.706  10.405  -6.247
  407   2HH2  ARG  55          2HH2      ARG  55  15.270  10.304  -5.509
  408    H    THR  56           H        THR  56   6.154   7.269  -5.643
  409    HA   THR  56           HA       THR  56   6.132   9.783  -7.152
  410    HB   THR  56           HB       THR  56   6.318   8.404  -8.985
  411    HG1  THR  56           1HG      THR  56   4.370   8.414  -9.933
  412   1HG2  THR  56          1HG2      THR  56   5.689   6.299  -7.263
  413   2HG2  THR  56          2HG2      THR  56   6.178   6.201  -8.953
  414   3HG2  THR  56          3HG2      THR  56   4.467   6.264  -8.533
  415    H    ASP  57           H        ASP  57   3.946  10.594  -7.579
  416    HA   ASP  57           HA       ASP  57   2.346  10.446  -5.231
  417   1HB   ASP  57          2HB       ASP  57   2.144  11.875  -7.857
  418   2HB   ASP  57          1HB       ASP  57   0.738  11.817  -6.793
  419    H    ARG  58           H        ARG  58   0.642   9.190  -4.779
  420    HA   ARG  58           HA       ARG  58  -0.940   7.561  -4.966
  421   1HB   ARG  58          2HB       ARG  58  -1.131   8.690  -7.767
  422   2HB   ARG  58          1HB       ARG  58  -2.268   7.526  -7.087
  423   1HG   ARG  58          2HG       ARG  58  -2.778   9.179  -5.294
  424   2HG   ARG  58          1HG       ARG  58  -1.768  10.343  -6.152
  425   1HD   ARG  58          2HD       ARG  58  -3.254  10.561  -7.886
  426   2HD   ARG  58          1HD       ARG  58  -3.926   8.949  -7.654
  427    HE   ARG  58           HE       ARG  58  -4.707  10.252  -5.424
  428   1HH1  ARG  58          1HH1      ARG  58  -4.956  11.011  -8.822
  429   2HH1  ARG  58          2HH1      ARG  58  -6.421  11.915  -8.641
  430   1HH2  ARG  58          1HH2      ARG  58  -6.635  11.441  -5.185
  431   2HH2  ARG  58          2HH2      ARG  58  -7.375  12.159  -6.577
  432    H    CYS  59           H        CYS  59   1.848   6.956  -5.543
  433    HA   CYS  59           HA       CYS  59   2.069   5.193  -7.731
  434   1HB   CYS  59          2HB       CYS  59   4.215   4.727  -6.945
  435   2HB   CYS  59          1HB       CYS  59   3.912   6.366  -6.376
  436    H    ASN  60           H        ASN  60   0.939   4.783  -4.460
  437    HA   ASN  60           HA       ASN  60   0.829   1.870  -4.802
  438   1HB   ASN  60          2HB       ASN  60   0.187   1.895  -2.361
  439   2HB   ASN  60          1HB       ASN  60   1.805   2.508  -2.716
  440   1HD2  ASN  60          1HD2      ASN  60   1.378   3.379  -0.494
  441   2HD2  ASN  60          2HD2      ASN  60   0.652   4.953  -0.394
  442    H    ASN  61           H        ASN  61  -0.890   2.888  -6.491
  443    HA   ASN  61           HA       ASN  61  -3.513   2.723  -5.163
  444   1HB   ASN  61          2HB       ASN  61  -3.701   4.811  -6.060
  445   2HB   ASN  61          1HB       ASN  61  -2.471   4.512  -7.280
  446   1HD2  ASN  61          1HD2      ASN  61  -3.099   3.190  -9.116
  447   2HD2  ASN  61          2HD2      ASN  61  -4.729   3.291  -9.701
  Start of MODEL   13
    1   1H    LEU   1          1HT       LEU   1   3.995  15.942  -1.315
    2   2H    LEU   1          2HT       LEU   1   5.565  15.332  -1.650
    3   3H    LEU   1          3HT       LEU   1   4.746  14.861  -0.216
    4    HA   LEU   1           HA       LEU   1   3.837  14.280  -2.954
    5   1HB   LEU   1          2HB       LEU   1   6.042  13.250  -1.916
    6   2HB   LEU   1          1HB       LEU   1   4.899  12.246  -1.045
    7    HG   LEU   1           HG       LEU   1   4.631  12.455  -4.008
    8   1HD1  LEU   1          1HD1      LEU   1   6.421  11.180  -4.527
    9   2HD1  LEU   1          2HD1      LEU   1   6.389  10.314  -2.991
   10   3HD1  LEU   1          3HD1      LEU   1   7.089  11.931  -3.077
   11   1HD2  LEU   1          1HD2      LEU   1   4.427   9.910  -2.528
   12   2HD2  LEU   1          2HD2      LEU   1   3.403  10.570  -3.804
   13   3HD2  LEU   1          3HD2      LEU   1   3.219  11.136  -2.144
   14    H    GLU   2           H        GLU   2   1.945  13.113  -3.066
   15    HA   GLU   2           HA       GLU   2   0.547  12.616  -0.523
   16   1HB   GLU   2          2HB       GLU   2  -0.159  14.639  -2.128
   17   2HB   GLU   2          1HB       GLU   2  -1.061  13.349  -2.911
   18   1HG   GLU   2          2HG       GLU   2  -2.617  13.381  -1.338
   19   2HG   GLU   2          1HG       GLU   2  -1.414  13.251  -0.057
   20    H    CYS   3           H        CYS   3   0.921  10.418  -0.520
   21    HA   CYS   3           HA       CYS   3   0.402   8.801  -2.834
   22   1HB   CYS   3          2HB       CYS   3   0.725   7.743  -0.039
   23   2HB   CYS   3          1HB       CYS   3   1.194   7.003  -1.567
   24    H    HIS   4           H        HIS   4  -0.848   6.586  -1.855
   25    HA   HIS   4           HA       HIS   4  -3.555   7.592  -1.288
   26   1HB   HIS   4          2HB       HIS   4  -2.606   5.157  -2.797
   27   2HB   HIS   4          1HB       HIS   4  -4.284   5.368  -2.287
   28    HD1  HIS   4           1HD      HIS   4  -5.389   7.716  -3.233
   29    HD2  HIS   4           2HD      HIS   4  -2.086   6.188  -5.240
   30    HE1  HIS   4           1HE      HIS   4  -5.413   8.811  -5.496
   31    HE2  HIS   4           2HE      HIS   4  -3.461   7.799  -6.726
   32    H    ASN   5           H        ASN   5  -4.914   6.359   0.116
   33    HA   ASN   5           HA       ASN   5  -3.561   4.407   1.830
   34   1HB   ASN   5          2HB       ASN   5  -4.405   5.500   3.861
   35   2HB   ASN   5          1HB       ASN   5  -3.328   6.573   2.962
   36   1HD2  ASN   5          1HD2      ASN   5  -4.233   8.298   1.773
   37   2HD2  ASN   5          2HD2      ASN   5  -5.796   8.935   2.181
   38    H    GLN   6           H        GLN   6  -5.358   3.774  -0.136
   39    HA   GLN   6           HA       GLN   6  -7.898   3.312   1.269
   40   1HB   GLN   6          2HB       GLN   6  -8.686   2.632  -1.062
   41   2HB   GLN   6          1HB       GLN   6  -8.338   4.336  -0.805
   42   1HG   GLN   6          2HG       GLN   6  -6.215   4.120  -1.917
   43   2HG   GLN   6          1HG       GLN   6  -6.433   2.376  -2.064
   44   1HE2  GLN   6          1HE2      GLN   6  -6.797   5.324  -3.573
   45   2HE2  GLN   6          2HE2      GLN   6  -7.847   4.835  -4.867
   46    H    GLN   7           H        GLN   7  -7.665   1.488   2.445
   47    HA   GLN   7           HA       GLN   7  -6.201  -0.783   1.467
   48   1HB   GLN   7          2HB       GLN   7  -7.140  -1.836   3.592
   49   2HB   GLN   7          1HB       GLN   7  -6.061  -0.467   3.796
   50   1HG   GLN   7          2HG       GLN   7  -7.815   0.970   4.372
   51   2HG   GLN   7          1HG       GLN   7  -9.039  -0.138   3.751
   52   1HE2  GLN   7          1HE2      GLN   7  -8.678  -2.443   4.855
   53   2HE2  GLN   7          2HE2      GLN   7  -8.673  -2.373   6.589
   54    H    SER   8           H        SER   8  -6.984  -2.539   0.459
   55    HA   SER   8           HA       SER   8  -8.424  -3.944  -0.604
   56   1HB   SER   8          2HB       SER   8 -10.535  -3.064   1.371
   57   2HB   SER   8          1HB       SER   8 -10.397  -4.620   0.543
   58    HG   SER   8           HG       SER   8  -8.550  -3.608   2.450
   59    H    SER   9           H        SER   9 -11.201  -3.750  -1.067
   60    HA   SER   9           HA       SER   9 -11.208  -1.533  -2.965
   61   1HB   SER   9          2HB       SER   9 -11.808  -3.976  -3.551
   62   2HB   SER   9          1HB       SER   9 -13.344  -3.645  -2.749
   63    HG   SER   9           HG       SER   9 -13.834  -2.160  -4.273
   64    H    GLN  10           H        GLN  10 -11.711  -1.283   0.014
   65    HA   GLN  10           HA       GLN  10 -14.464  -0.632   0.337
   66   1HB   GLN  10          2HB       GLN  10 -11.986  -0.363   1.950
   67   2HB   GLN  10          1HB       GLN  10 -13.336   0.691   2.370
   68   1HG   GLN  10          2HG       GLN  10 -14.123  -2.077   1.973
   69   2HG   GLN  10          1HG       GLN  10 -12.929  -1.872   3.255
   70   1HE2  GLN  10          1HE2      GLN  10 -15.142  -2.781   4.180
   71   2HE2  GLN  10          2HE2      GLN  10 -16.131  -1.567   4.929
   72    H    ALA  11           H        ALA  11 -14.731   1.752   1.445
   73    HA   ALA  11           HA       ALA  11 -14.835   3.545  -0.685
   74   1HB   ALA  11          1HB       ALA  11 -16.153   3.596   1.485
   75   2HB   ALA  11          2HB       ALA  11 -15.608   5.151   0.853
   76   3HB   ALA  11          3HB       ALA  11 -14.750   4.395   2.195
   77    HA   PRO  12           HA       PRO  12 -10.422   4.468  -1.102
   78   1HB   PRO  12          2HB       PRO  12 -11.807   6.733  -2.504
   79   2HB   PRO  12          1HB       PRO  12 -10.354   5.840  -2.983
   80   1HG   PRO  12          2HG       PRO  12 -12.649   5.228  -4.114
   81   2HG   PRO  12          1HG       PRO  12 -11.568   3.929  -3.558
   82   1HD   PRO  12          2HD       PRO  12 -14.097   4.943  -2.329
   83   2HD   PRO  12          1HD       PRO  12 -13.459   3.284  -2.404
   84    H    THR  13           H        THR  13  -9.031   6.296  -0.553
   85    HA   THR  13           HA       THR  13 -10.119   8.519   0.909
   86    HB   THR  13           HB       THR  13  -8.490   6.456   2.407
   87    HG1  THR  13           1HG      THR  13 -11.187   7.232   2.792
   88   1HG2  THR  13          1HG2      THR  13  -9.679   9.064   3.310
   89   2HG2  THR  13          2HG2      THR  13  -7.972   8.619   3.269
   90   3HG2  THR  13          3HG2      THR  13  -9.068   7.815   4.395
   91    H    THR  14           H        THR  14  -8.853  10.199   0.493
   92    HA   THR  14           HA       THR  14  -6.074   9.691  -0.318
   93    HB   THR  14           HB       THR  14  -6.152  11.761  -1.527
   94    HG1  THR  14           1HG      THR  14  -8.640  12.153  -0.235
   95   1HG2  THR  14          1HG2      THR  14  -7.199   9.971  -2.746
   96   2HG2  THR  14          2HG2      THR  14  -8.063  11.479  -3.044
   97   3HG2  THR  14          3HG2      THR  14  -8.736  10.280  -1.939
   98    H    LYS  15           H        LYS  15  -4.429  10.401   0.883
   99    HA   LYS  15           HA       LYS  15  -4.687  12.683   2.625
  100   1HB   LYS  15          2HB       LYS  15  -5.460  10.347   3.753
  101   2HB   LYS  15          1HB       LYS  15  -3.737  10.304   4.101
  102   1HG   LYS  15          2HG       LYS  15  -4.545  12.891   4.755
  103   2HG   LYS  15          1HG       LYS  15  -5.827  11.836   5.353
  104   1HD   LYS  15          2HD       LYS  15  -2.917  11.297   5.890
  105   2HD   LYS  15          1HD       LYS  15  -3.897  12.321   6.942
  106   1HE   LYS  15          2HE       LYS  15  -5.056   9.699   6.251
  107   2HE   LYS  15          1HE       LYS  15  -3.614   9.657   7.266
  108   1HZ   LYS  15          1HZ       LYS  15  -5.020  11.558   8.483
  109   2HZ   LYS  15          2HZ       LYS  15  -5.120   9.920   8.897
  110   3HZ   LYS  15          3HZ       LYS  15  -6.286  10.608   7.882
  111    H    THR  16           H        THR  16  -2.550  12.833   4.003
  112    HA   THR  16           HA       THR  16  -0.277  11.847   2.431
  113    HB   THR  16           HB       THR  16  -0.702  14.092   1.612
  114    HG1  THR  16           1HG      THR  16   1.451  13.677   1.757
  115   1HG2  THR  16          1HG2      THR  16  -1.599  14.708   4.121
  116   2HG2  THR  16          2HG2      THR  16  -1.267  15.861   2.828
  117   3HG2  THR  16          3HG2      THR  16  -0.039  15.527   4.049
  118    H    CYS  17           H        CYS  17   1.794  12.036   3.579
  119    HA   CYS  17           HA       CYS  17   1.399  11.639   6.459
  120   1HB   CYS  17          2HB       CYS  17   3.799  10.873   4.786
  121   2HB   CYS  17          1HB       CYS  17   3.456  10.375   6.445
  122    H    SER  18           H        SER  18   3.112  12.404   7.916
  123    HA   SER  18           HA       SER  18   4.260  14.950   6.975
  124   1HB   SER  18          2HB       SER  18   4.179  15.228   9.690
  125   2HB   SER  18          1HB       SER  18   2.925  15.807   8.593
  126    HG   SER  18           HG       SER  18   1.805  14.581   9.965
  127    H    GLY  19           H        GLY  19   6.344  14.506   6.536
  128   1HA   GLY  19          2HA       GLY  19   8.541  14.489   7.597
  129   2HA   GLY  19          1HA       GLY  19   7.923  13.264   8.703
  130    H    GLU  20           H        GLU  20   6.571  11.727   6.659
  131    HA   GLU  20           HA       GLU  20   8.739  10.075   5.862
  132   1HB   GLU  20          2HB       GLU  20   5.778  10.052   5.439
  133   2HB   GLU  20          1HB       GLU  20   6.792   8.986   4.468
  134   1HG   GLU  20          2HG       GLU  20   6.829   7.527   6.123
  135   2HG   GLU  20          1HG       GLU  20   7.624   8.718   7.153
  136    H    THR  21           H        THR  21   9.503   9.606   3.782
  137    HA   THR  21           HA       THR  21   8.915  11.679   1.771
  138    HB   THR  21           HB       THR  21  11.520  10.185   1.921
  139    HG1  THR  21           1HG      THR  21  11.415  11.173   3.886
  140   1HG2  THR  21          1HG2      THR  21  10.472  12.368   0.332
  141   2HG2  THR  21          2HG2      THR  21  11.899  11.363   0.081
  142   3HG2  THR  21          3HG2      THR  21  11.988  12.776   1.132
  143    H    ASN  22           H        ASN  22   9.385   8.270   2.382
  144    HA   ASN  22           HA       ASN  22   8.753   7.719  -0.439
  145   1HB   ASN  22          2HB       ASN  22   9.638   5.316   0.589
  146   2HB   ASN  22          1HB       ASN  22  10.591   6.440  -0.382
  147   1HD2  ASN  22          1HD2      ASN  22  12.537   6.158   0.498
  148   2HD2  ASN  22          2HD2      ASN  22  12.921   6.495   2.155
  149    H    CYS  23           H        CYS  23   7.225   6.132  -0.943
  150    HA   CYS  23           HA       CYS  23   5.477   5.305   1.277
  151   1HB   CYS  23          2HB       CYS  23   4.859   6.530  -1.364
  152   2HB   CYS  23          1HB       CYS  23   3.767   5.284  -0.773
  153    H    TYR  24           H        TYR  24   3.903   3.492   0.187
  154    HA   TYR  24           HA       TYR  24   5.280   1.755  -1.627
  155   1HB   TYR  24          2HB       TYR  24   5.555  -0.142  -0.105
  156   2HB   TYR  24          1HB       TYR  24   6.524   1.238   0.407
  157    HD1  TYR  24           1HD      TYR  24   3.636  -0.875   1.199
  158    HD2  TYR  24           2HD      TYR  24   6.006   2.424   2.461
  159    HE1  TYR  24           1HE      TYR  24   2.629  -1.014   3.439
  160    HE2  TYR  24           2HE      TYR  24   5.007   2.293   4.702
  161    HH   TYR  24           HH       TYR  24   3.649  -0.117   5.974
  162    H    LYS  25           H        LYS  25   4.158  -0.508  -1.542
  163    HA   LYS  25           HA       LYS  25   1.346  -0.423  -0.888
  164   1HB   LYS  25          2HB       LYS  25   1.757   0.662  -3.238
  165   2HB   LYS  25          1HB       LYS  25   1.996  -1.007  -3.757
  166   1HG   LYS  25          2HG       LYS  25  -0.262  -1.487  -2.688
  167   2HG   LYS  25          1HG       LYS  25  -0.479   0.263  -2.649
  168   1HD   LYS  25          2HD       LYS  25  -0.669   0.426  -4.915
  169   2HD   LYS  25          1HD       LYS  25   0.397  -0.948  -5.211
  170   1HE   LYS  25          2HE       LYS  25  -1.448  -2.114  -5.662
  171   2HE   LYS  25          1HE       LYS  25  -1.770  -2.080  -3.930
  172   1HZ   LYS  25          1HZ       LYS  25  -3.582  -0.902  -4.332
  173   2HZ   LYS  25          2HZ       LYS  25  -3.265  -0.922  -5.993
  174   3HZ   LYS  25          3HZ       LYS  25  -2.662   0.333  -5.033
  175    H    LYS  26           H        LYS  26   0.758  -2.404  -0.251
  176    HA   LYS  26           HA       LYS  26   2.365  -4.672  -1.222
  177   1HB   LYS  26          2HB       LYS  26   1.806  -5.748   1.008
  178   2HB   LYS  26          1HB       LYS  26   2.971  -4.446   1.021
  179   1HG   LYS  26          2HG       LYS  26   0.569  -3.160   1.450
  180   2HG   LYS  26          1HG       LYS  26   0.424  -4.661   2.362
  181   1HD   LYS  26          2HD       LYS  26   2.773  -2.783   2.562
  182   2HD   LYS  26          1HD       LYS  26   1.391  -2.760   3.658
  183   1HE   LYS  26          2HE       LYS  26   3.455  -4.908   3.284
  184   2HE   LYS  26          1HE       LYS  26   3.031  -4.036   4.757
  185   1HZ   LYS  26          1HZ       LYS  26   2.101  -6.199   4.898
  186   2HZ   LYS  26          2HZ       LYS  26   1.410  -6.089   3.358
  187   3HZ   LYS  26          3HZ       LYS  26   0.816  -5.133   4.620
  188    H    TRP  27           H        TRP  27   1.328  -6.731  -1.183
  189    HA   TRP  27           HA       TRP  27  -1.514  -6.888  -0.919
  190   1HB   TRP  27          2HB       TRP  27  -1.884  -7.660  -3.287
  191   2HB   TRP  27          1HB       TRP  27  -1.607  -5.954  -3.088
  192    HD1  TRP  27           HD       TRP  27  -0.304  -8.955  -4.750
  193    HE1  TRP  27           1HE      TRP  27   1.684  -8.352  -6.247
  194    HE3  TRP  27           3HE      TRP  27   0.463  -4.156  -3.188
  195    HZ2  TRP  27           2HZ      TRP  27   3.371  -6.140  -6.717
  196    HZ3  TRP  27           3HZ      TRP  27   2.282  -2.866  -4.214
  197    HH2  TRP  27           HH       TRP  27   3.706  -3.834  -5.942
  198    H    TRP  28           H        TRP  28  -2.336  -8.986  -1.160
  199    HA   TRP  28           HA       TRP  28  -0.453 -11.162  -1.575
  200   1HB   TRP  28          2HB       TRP  28  -1.014 -12.188   0.639
  201   2HB   TRP  28          1HB       TRP  28  -0.102 -10.687   0.772
  202    HD1  TRP  28           HD       TRP  28  -3.399 -12.230   1.648
  203    HE1  TRP  28           1HE      TRP  28  -4.730 -10.579   3.061
  204    HE3  TRP  28           3HE      TRP  28  -0.457  -8.086   1.114
  205    HZ2  TRP  28           2HZ      TRP  28  -4.594  -7.889   3.886
  206    HZ3  TRP  28           3HZ      TRP  28  -1.128  -6.011   2.255
  207    HH2  TRP  28           HH       TRP  28  -3.157  -5.917   3.611
  208    H    SER  29           H        SER  29  -1.810 -13.305  -0.827
  209    HA   SER  29           HA       SER  29  -4.524 -13.013  -1.919
  210   1HB   SER  29          2HB       SER  29  -2.485 -14.076  -3.390
  211   2HB   SER  29          1HB       SER  29  -3.151 -15.524  -2.626
  212    HG   SER  29           HG       SER  29  -5.254 -14.652  -3.388
  213    H    ASP  30           H        ASP  30  -5.981 -13.769  -0.562
  214    HA   ASP  30           HA       ASP  30  -5.654 -16.295   0.763
  215   1HB   ASP  30          2HB       ASP  30  -6.219 -15.178   3.045
  216   2HB   ASP  30          1HB       ASP  30  -4.545 -15.207   2.491
  217    H    HIS  31           H        HIS  31  -7.593 -16.933   1.948
  218    HA   HIS  31           HA       HIS  31  -9.835 -17.399   1.745
  219   1HB   HIS  31          2HB       HIS  31 -11.250 -15.411   2.468
  220   2HB   HIS  31          1HB       HIS  31  -9.964 -15.895   3.567
  221    HD1  HIS  31           1HD      HIS  31 -10.735 -13.243   0.979
  222    HD2  HIS  31           2HD      HIS  31  -8.164 -13.926   4.170
  223    HE1  HIS  31           1HE      HIS  31  -9.540 -11.064   1.358
  224    HE2  HIS  31           2HE      HIS  31  -8.074 -11.470   3.366
  225    H    ARG  32           H        ARG  32  -9.676 -17.808  -0.572
  226    HA   ARG  32           HA       ARG  32  -9.983 -17.315  -2.812
  227   1HB   ARG  32          2HB       ARG  32 -12.767 -16.706  -2.004
  228   2HB   ARG  32          1HB       ARG  32 -12.159 -17.828  -3.213
  229   1HG   ARG  32          2HG       ARG  32 -11.636 -19.454  -1.579
  230   2HG   ARG  32          1HG       ARG  32 -11.890 -18.307  -0.262
  231   1HD   ARG  32          2HD       ARG  32 -14.226 -18.554  -1.966
  232   2HD   ARG  32          1HD       ARG  32 -13.741 -20.100  -1.275
  233    HE   ARG  32           HE       ARG  32 -14.216 -19.290   0.852
  234   1HH1  ARG  32          1HH1      ARG  32 -14.664 -16.791  -1.551
  235   2HH1  ARG  32          2HH1      ARG  32 -15.532 -15.747  -0.477
  236   1HH2  ARG  32          1HH2      ARG  32 -15.355 -17.913   2.258
  237   2HH2  ARG  32          2HH2      ARG  32 -15.922 -16.380   1.681
  238    H    GLY  33           H        GLY  33  -8.796 -15.059  -2.101
  239   1HA   GLY  33          2HA       GLY  33  -9.893 -13.128  -3.841
  240   2HA   GLY  33          1HA       GLY  33 -10.267 -12.678  -2.179
  241    H    THR  34           H        THR  34  -8.854 -10.874  -3.408
  242    HA   THR  34           HA       THR  34  -6.098 -11.272  -2.445
  243    HB   THR  34           HB       THR  34  -6.695  -9.429  -4.730
  244    HG1  THR  34           1HG      THR  34  -7.527 -11.309  -5.505
  245   1HG2  THR  34          1HG2      THR  34  -4.425  -9.625  -3.546
  246   2HG2  THR  34          2HG2      THR  34  -4.470  -9.660  -5.308
  247   3HG2  THR  34          3HG2      THR  34  -4.284 -11.161  -4.401
  248    H    ILE  35           H        ILE  35  -5.023  -9.363  -1.672
  249    HA   ILE  35           HA       ILE  35  -6.792  -7.090  -1.089
  250    HB   ILE  35           HB       ILE  35  -4.973  -8.311   0.983
  251   1HG1  ILE  35          2HG1      ILE  35  -7.984  -8.517   0.746
  252   2HG1  ILE  35          1HG1      ILE  35  -6.849  -9.827   0.437
  253   1HG2  ILE  35          1HG2      ILE  35  -6.512  -6.853   2.458
  254   2HG2  ILE  35          2HG2      ILE  35  -6.895  -6.018   0.953
  255   3HG2  ILE  35          3HG2      ILE  35  -5.230  -6.071   1.532
  256   1HD1  ILE  35          1HD1      ILE  35  -8.103  -9.320   2.810
  257   2HD1  ILE  35          2HD1      ILE  35  -6.509  -8.606   3.057
  258   3HD1  ILE  35          3HD1      ILE  35  -6.654 -10.304   2.600
  259    H    ILE  36           H        ILE  36  -5.779  -5.099  -0.852
  260    HA   ILE  36           HA       ILE  36  -2.874  -4.981  -1.225
  261    HB   ILE  36           HB       ILE  36  -3.064  -3.304  -2.991
  262   1HG1  ILE  36          2HG1      ILE  36  -6.037  -3.842  -2.794
  263   2HG1  ILE  36          1HG1      ILE  36  -5.218  -2.328  -2.430
  264   1HG2  ILE  36          1HG2      ILE  36  -2.964  -4.942  -4.487
  265   2HG2  ILE  36          2HG2      ILE  36  -4.697  -5.238  -4.353
  266   3HG2  ILE  36          3HG2      ILE  36  -3.578  -6.045  -3.255
  267   1HD1  ILE  36          1HD1      ILE  36  -4.434  -2.596  -4.950
  268   2HD1  ILE  36          2HD1      ILE  36  -5.965  -1.840  -4.507
  269   3HD1  ILE  36          3HD1      ILE  36  -5.933  -3.521  -5.036
  270    H    GLU  37           H        GLU  37  -1.960  -3.451   0.098
  271    HA   GLU  37           HA       GLU  37  -3.714  -1.289   1.053
  272   1HB   GLU  37          2HB       GLU  37  -1.978  -1.636   3.139
  273   2HB   GLU  37          1HB       GLU  37  -3.626  -2.260   3.072
  274   1HG   GLU  37          2HG       GLU  37  -2.907  -4.398   2.489
  275   2HG   GLU  37          1HG       GLU  37  -1.304  -3.837   2.031
  276    H    ARG  38           H        ARG  38  -2.499   0.565   1.981
  277    HA   ARG  38           HA       ARG  38  -0.024   1.029   0.450
  278   1HB   ARG  38          2HB       ARG  38  -1.659   3.313   1.454
  279   2HB   ARG  38          1HB       ARG  38  -0.657   3.203   0.016
  280   1HG   ARG  38          2HG       ARG  38  -3.039   1.474   0.023
  281   2HG   ARG  38          1HG       ARG  38  -3.351   3.210  -0.003
  282   1HD   ARG  38          2HD       ARG  38  -1.983   3.469  -1.970
  283   2HD   ARG  38          1HD       ARG  38  -1.509   1.773  -1.906
  284    HE   ARG  38           HE       ARG  38  -3.889   2.833  -3.042
  285   1HH1  ARG  38          1HH1      ARG  38  -2.619   0.068  -1.333
  286   2HH1  ARG  38          2HH1      ARG  38  -3.805  -1.024  -1.964
  287   1HH2  ARG  38          1HH2      ARG  38  -5.452   1.398  -3.872
  288   2HH2  ARG  38          2HH2      ARG  38  -5.412  -0.270  -3.407
  289    H    GLY  39           H        GLY  39   0.872   3.327   1.615
  290   1HA   GLY  39          2HA       GLY  39   0.861   3.609   4.345
  291   2HA   GLY  39          1HA       GLY  39   2.023   2.329   4.041
  292    H    CYS  40           H        CYS  40   3.321   4.119   5.172
  293    HA   CYS  40           HA       CYS  40   4.577   5.755   3.075
  294   1HB   CYS  40          2HB       CYS  40   3.333   6.631   5.567
  295   2HB   CYS  40          1HB       CYS  40   5.003   7.179   5.416
  296    H    GLY  41           H        GLY  41   6.299   4.370   2.794
  297   1HA   GLY  41          2HA       GLY  41   8.615   4.682   4.153
  298   2HA   GLY  41          1HA       GLY  41   7.813   3.398   5.058
  299    H    CYS  42           H        CYS  42   9.410   1.885   4.510
  300    HA   CYS  42           HA       CYS  42   8.937   0.550   2.015
  301   1HB   CYS  42          2HB       CYS  42  10.570   2.297   1.344
  302   2HB   CYS  42          1HB       CYS  42  11.711   1.652   2.528
  303    HA   PRO  43           HA       PRO  43  10.446  -2.042   5.606
  304   1HB   PRO  43          2HB       PRO  43   8.155  -3.258   6.279
  305   2HB   PRO  43          1HB       PRO  43   8.550  -1.635   6.872
  306   1HG   PRO  43          2HG       PRO  43   6.741  -2.448   4.627
  307   2HG   PRO  43          1HG       PRO  43   6.494  -1.207   5.875
  308   1HD   PRO  43          2HD       PRO  43   7.349  -0.675   3.315
  309   2HD   PRO  43          1HD       PRO  43   7.691   0.362   4.718
  310    H    LYS  44           H        LYS  44   9.610  -4.560   5.886
  311    HA   LYS  44           HA       LYS  44  10.001  -5.717   3.212
  312   1HB   LYS  44          2HB       LYS  44  11.028  -6.355   5.880
  313   2HB   LYS  44          1HB       LYS  44  10.439  -7.762   5.005
  314   1HG   LYS  44          2HG       LYS  44  12.720  -7.613   4.495
  315   2HG   LYS  44          1HG       LYS  44  11.882  -6.992   3.072
  316   1HD   LYS  44          2HD       LYS  44  12.676  -4.896   3.359
  317   2HD   LYS  44          1HD       LYS  44  12.572  -4.988   5.118
  318   1HE   LYS  44          2HE       LYS  44  14.658  -6.464   3.532
  319   2HE   LYS  44          1HE       LYS  44  14.901  -4.822   4.127
  320   1HZ   LYS  44          1HZ       LYS  44  15.126  -5.526   6.239
  321   2HZ   LYS  44          2HZ       LYS  44  15.561  -6.988   5.508
  322   3HZ   LYS  44          3HZ       LYS  44  13.986  -6.767   6.083
  323    H    VAL  45           H        VAL  45   9.210  -8.269   3.530
  324    HA   VAL  45           HA       VAL  45   6.505  -8.283   4.619
  325    HB   VAL  45           HB       VAL  45   5.691  -9.340   2.430
  326   1HG1  VAL  45          1HG1      VAL  45   6.344  -6.426   2.160
  327   2HG1  VAL  45          2HG1      VAL  45   5.209  -7.003   3.379
  328   3HG1  VAL  45          3HG1      VAL  45   4.885  -7.286   1.668
  329   1HG2  VAL  45          1HG2      VAL  45   7.998  -9.547   1.479
  330   2HG2  VAL  45          2HG2      VAL  45   8.011  -7.795   1.286
  331   3HG2  VAL  45          3HG2      VAL  45   6.829  -8.769   0.411
  332    H    LYS  46           H        LYS  46   5.541 -10.446   4.623
  333    HA   LYS  46           HA       LYS  46   7.474 -12.414   5.323
  334   1HB   LYS  46          2HB       LYS  46   4.493 -12.234   5.434
  335   2HB   LYS  46          1HB       LYS  46   5.274 -13.793   5.640
  336   1HG   LYS  46          2HG       LYS  46   5.933 -11.373   7.297
  337   2HG   LYS  46          1HG       LYS  46   4.735 -12.584   7.758
  338   1HD   LYS  46          2HD       LYS  46   7.275 -13.771   6.985
  339   2HD   LYS  46          1HD       LYS  46   7.440 -12.648   8.336
  340   1HE   LYS  46          2HE       LYS  46   6.241 -13.954   9.743
  341   2HE   LYS  46          1HE       LYS  46   5.165 -14.524   8.469
  342   1HZ   LYS  46          1HZ       LYS  46   7.217 -15.811   7.670
  343   2HZ   LYS  46          2HZ       LYS  46   6.387 -16.392   9.025
  344   3HZ   LYS  46          3HZ       LYS  46   7.832 -15.534   9.222
  345    HA   PRO  47           HA       PRO  47   7.618 -14.849   1.676
  346   1HB   PRO  47          2HB       PRO  47   6.995 -17.384   2.815
  347   2HB   PRO  47          1HB       PRO  47   8.575 -16.725   2.441
  348   1HG   PRO  47          2HG       PRO  47   7.425 -17.149   4.971
  349   2HG   PRO  47          1HG       PRO  47   9.006 -16.469   4.594
  350   1HD   PRO  47          2HD       PRO  47   6.661 -15.135   5.564
  351   2HD   PRO  47          1HD       PRO  47   8.280 -14.476   5.270
  352    H    GLY  48           H        GLY  48   5.701 -13.928   0.767
  353   1HA   GLY  48          2HA       GLY  48   3.912 -15.531  -0.405
  354   2HA   GLY  48          1HA       GLY  48   3.173 -15.303   1.177
  355    H    VAL  49           H        VAL  49   3.469 -12.794   1.801
  356    HA   VAL  49           HA       VAL  49   1.773 -11.410  -0.062
  357    HB   VAL  49           HB       VAL  49   1.301 -11.152   2.269
  358   1HG1  VAL  49          1HG1      VAL  49   4.193 -10.718   2.462
  359   2HG1  VAL  49          2HG1      VAL  49   3.067 -11.440   3.611
  360   3HG1  VAL  49          3HG1      VAL  49   3.207  -9.686   3.498
  361   1HG2  VAL  49          1HG2      VAL  49   2.537  -8.516   1.555
  362   2HG2  VAL  49          2HG2      VAL  49   1.023  -8.843   2.398
  363   3HG2  VAL  49          3HG2      VAL  49   1.150  -9.142   0.666
  364    H    ASN  50           H        ASN  50   2.347  -9.901  -1.511
  365    HA   ASN  50           HA       ASN  50   5.177  -9.316  -1.831
  366   1HB   ASN  50          2HB       ASN  50   2.915  -8.426  -3.621
  367   2HB   ASN  50          1HB       ASN  50   4.630  -8.544  -4.023
  368   1HD2  ASN  50          1HD2      ASN  50   1.637 -10.144  -3.904
  369   2HD2  ASN  50          2HD2      ASN  50   2.184 -11.707  -4.430
  370    H    LEU  51           H        LEU  51   5.905  -7.132  -2.322
  371    HA   LEU  51           HA       LEU  51   4.305  -4.888  -1.524
  372   1HB   LEU  51          2HB       LEU  51   4.870  -5.555   0.674
  373   2HB   LEU  51          1HB       LEU  51   6.520  -5.933   0.222
  374    HG   LEU  51           HG       LEU  51   6.751  -3.400  -0.242
  375   1HD1  LEU  51          1HD1      LEU  51   4.562  -3.154   1.771
  376   2HD1  LEU  51          2HD1      LEU  51   4.181  -3.188   0.050
  377   3HD1  LEU  51          3HD1      LEU  51   5.240  -1.934   0.695
  378   1HD2  LEU  51          1HD2      LEU  51   7.559  -4.905   1.747
  379   2HD2  LEU  51          2HD2      LEU  51   6.367  -3.973   2.652
  380   3HD2  LEU  51          3HD2      LEU  51   7.691  -3.148   1.830
  381    H    ASN  52           H        ASN  52   5.243  -2.901  -2.147
  382    HA   ASN  52           HA       ASN  52   7.934  -2.904  -3.227
  383   1HB   ASN  52          2HB       ASN  52   7.431  -2.483  -5.462
  384   2HB   ASN  52          1HB       ASN  52   6.251  -3.714  -5.027
  385   1HD2  ASN  52          1HD2      ASN  52   4.276  -2.425  -3.824
  386   2HD2  ASN  52          2HD2      ASN  52   3.582  -1.224  -4.854
  387    H    CYS  53           H        CYS  53   8.897  -1.046  -2.770
  388    HA   CYS  53           HA       CYS  53   7.335   1.178  -1.770
  389   1HB   CYS  53          2HB       CYS  53  10.308   1.285  -2.058
  390   2HB   CYS  53          1HB       CYS  53   9.278   1.927  -0.784
  391    H    CYS  54           H        CYS  54   7.570   3.337  -2.547
  392    HA   CYS  54           HA       CYS  54   8.935   3.879  -5.011
  393   1HB   CYS  54          2HB       CYS  54   6.703   4.667  -6.090
  394   2HB   CYS  54          1HB       CYS  54   7.153   2.964  -6.187
  395    H    ARG  55           H        ARG  55   8.899   6.001  -5.634
  396    HA   ARG  55           HA       ARG  55   8.082   7.852  -3.515
  397   1HB   ARG  55          2HB       ARG  55  10.259   8.840  -5.083
  398   2HB   ARG  55          1HB       ARG  55  10.197   8.499  -3.362
  399   1HG   ARG  55          2HG       ARG  55  10.702   6.112  -3.912
  400   2HG   ARG  55          1HG       ARG  55  10.989   6.635  -5.577
  401   1HD   ARG  55          2HD       ARG  55  13.053   7.261  -5.046
  402   2HD   ARG  55          1HD       ARG  55  12.429   8.352  -3.811
  403    HE   ARG  55           HE       ARG  55  12.353   5.944  -2.591
  404   1HH1  ARG  55          1HH1      ARG  55  14.862   7.666  -4.300
  405   2HH1  ARG  55          2HH1      ARG  55  16.146   6.967  -3.372
  406   1HH2  ARG  55          1HH2      ARG  55  14.042   5.025  -1.369
  407   2HH2  ARG  55          2HH2      ARG  55  15.682   5.467  -1.709
  408    H    THR  56           H        THR  56   6.513   7.132  -5.843
  409    HA   THR  56           HA       THR  56   6.560   9.688  -7.311
  410    HB   THR  56           HB       THR  56   5.121   7.356  -8.457
  411    HG1  THR  56           1HG      THR  56   7.001   6.336  -7.883
  412   1HG2  THR  56          1HG2      THR  56   6.762   9.613  -9.536
  413   2HG2  THR  56          2HG2      THR  56   5.070   9.223  -9.843
  414   3HG2  THR  56          3HG2      THR  56   6.346   8.212 -10.522
  415    H    ASP  57           H        ASP  57   4.550  10.666  -7.817
  416    HA   ASP  57           HA       ASP  57   2.651  10.580  -5.737
  417   1HB   ASP  57          2HB       ASP  57   3.250  12.389  -7.652
  418   2HB   ASP  57          1HB       ASP  57   1.786  11.686  -8.346
  419    H    ARG  58           H        ARG  58   0.990   9.263  -5.402
  420    HA   ARG  58           HA       ARG  58  -0.618   7.685  -5.709
  421   1HB   ARG  58          2HB       ARG  58  -0.574   8.688  -8.564
  422   2HB   ARG  58          1HB       ARG  58  -1.828   7.672  -7.856
  423   1HG   ARG  58          2HG       ARG  58  -2.298   9.489  -6.229
  424   2HG   ARG  58          1HG       ARG  58  -1.144  10.503  -7.097
  425   1HD   ARG  58          2HD       ARG  58  -2.498  10.695  -8.948
  426   2HD   ARG  58          1HD       ARG  58  -3.345   9.185  -8.615
  427    HE   ARG  58           HE       ARG  58  -3.825  11.230  -6.656
  428   1HH1  ARG  58          1HH1      ARG  58  -4.824   9.934  -9.738
  429   2HH1  ARG  58          2HH1      ARG  58  -6.425  10.586  -9.634
  430   1HH2  ARG  58          1HH2      ARG  58  -5.930  12.088  -6.517
  431   2HH2  ARG  58          2HH2      ARG  58  -7.053  11.810  -7.807
  432    H    CYS  59           H        CYS  59   2.206   7.014  -6.065
  433    HA   CYS  59           HA       CYS  59   2.531   5.200  -8.203
  434   1HB   CYS  59          2HB       CYS  59   4.573   4.584  -7.154
  435   2HB   CYS  59          1HB       CYS  59   4.358   6.305  -6.850
  436    H    ASN  60           H        ASN  60   1.169   4.915  -5.009
  437    HA   ASN  60           HA       ASN  60   0.999   2.002  -5.254
  438   1HB   ASN  60          2HB       ASN  60   0.177   2.109  -2.897
  439   2HB   ASN  60          1HB       ASN  60   1.796   2.777  -3.115
  440   1HD2  ASN  60          1HD2      ASN  60   1.228   3.753  -1.016
  441   2HD2  ASN  60          2HD2      ASN  60   0.393   5.276  -1.026
  442    H    ASN  61           H        ASN  61  -0.623   3.940  -6.854
  443    HA   ASN  61           HA       ASN  61  -3.271   3.976  -5.901
  444   1HB   ASN  61          2HB       ASN  61  -3.851   4.875  -7.964
  445   2HB   ASN  61          1HB       ASN  61  -2.160   5.327  -7.825
  446   1HD2  ASN  61          1HD2      ASN  61  -1.065   2.786  -8.433
  447   2HD2  ASN  61          2HD2      ASN  61  -1.350   2.480 -10.116
  Start of MODEL   14
    1   1H    LEU   1          1HT       LEU   1   3.946  12.936   1.369
    2   2H    LEU   1          2HT       LEU   1   3.651  14.358   0.454
    3   3H    LEU   1          3HT       LEU   1   5.137  13.517   0.283
    4    HA   LEU   1           HA       LEU   1   3.462  13.213  -1.509
    5   1HB   LEU   1          2HB       LEU   1   5.396  11.603  -0.394
    6   2HB   LEU   1          1HB       LEU   1   4.007  10.534  -0.450
    7    HG   LEU   1           HG       LEU   1   4.523  12.025  -2.939
    8   1HD1  LEU   1          1HD1      LEU   1   6.330   9.717  -2.341
    9   2HD1  LEU   1          2HD1      LEU   1   6.808  11.365  -1.934
   10   3HD1  LEU   1          3HD1      LEU   1   6.455  10.937  -3.608
   11   1HD2  LEU   1          1HD2      LEU   1   3.834   9.197  -2.183
   12   2HD2  LEU   1          2HD2      LEU   1   4.155   9.696  -3.843
   13   3HD2  LEU   1          3HD2      LEU   1   2.805  10.402  -2.956
   14    H    GLU   2           H        GLU   2   1.353  13.030  -1.845
   15    HA   GLU   2           HA       GLU   2  -0.374  12.008   0.254
   16   1HB   GLU   2          2HB       GLU   2  -0.988  14.083  -0.892
   17   2HB   GLU   2          1HB       GLU   2  -1.036  13.231  -2.430
   18   1HG   GLU   2          2HG       GLU   2  -2.832  11.772  -1.410
   19   2HG   GLU   2          1HG       GLU   2  -2.889  12.937  -0.088
   20    H    CYS   3           H        CYS   3   0.125   9.781   0.191
   21    HA   CYS   3           HA       CYS   3  -0.214   8.274  -2.230
   22   1HB   CYS   3          2HB       CYS   3  -0.128   7.044   0.505
   23   2HB   CYS   3          1HB       CYS   3   0.512   6.430  -1.016
   24    H    HIS   4           H        HIS   4  -1.666   6.295  -2.163
   25    HA   HIS   4           HA       HIS   4  -4.322   7.127  -1.218
   26   1HB   HIS   4          2HB       HIS   4  -3.570   5.135  -3.370
   27   2HB   HIS   4          1HB       HIS   4  -5.217   5.575  -2.911
   28    HD1  HIS   4           1HD      HIS   4  -5.677   8.302  -3.195
   29    HD2  HIS   4           2HD      HIS   4  -2.637   6.584  -5.447
   30    HE1  HIS   4           1HE      HIS   4  -5.262   9.900  -5.090
   31    HE2  HIS   4           2HE      HIS   4  -3.525   8.767  -6.516
   32    H    ASN   5           H        ASN   5  -4.251   6.348   0.880
   33    HA   ASN   5           HA       ASN   5  -3.524   3.596   1.392
   34   1HB   ASN   5          2HB       ASN   5  -4.007   4.126   3.739
   35   2HB   ASN   5          1HB       ASN   5  -2.951   5.347   3.020
   36   1HD2  ASN   5          1HD2      ASN   5  -4.823   5.425   5.318
   37   2HD2  ASN   5          2HD2      ASN   5  -5.874   6.769   4.997
   38    H    GLN   6           H        GLN   6  -5.428   3.287  -0.344
   39    HA   GLN   6           HA       GLN   6  -8.008   3.056   1.002
   40   1HB   GLN   6          2HB       GLN   6  -8.893   2.510  -1.216
   41   2HB   GLN   6          1HB       GLN   6  -7.984   4.015  -1.245
   42   1HG   GLN   6          2HG       GLN   6  -6.152   1.974  -1.848
   43   2HG   GLN   6          1HG       GLN   6  -7.605   1.637  -2.786
   44   1HE2  GLN   6          1HE2      GLN   6  -8.478   4.265  -3.171
   45   2HE2  GLN   6          2HE2      GLN   6  -7.360   5.064  -4.232
   46    H    GLN   7           H        GLN   7  -8.178   1.290   2.240
   47    HA   GLN   7           HA       GLN   7  -6.847  -1.170   1.586
   48   1HB   GLN   7          2HB       GLN   7  -8.154  -1.989   3.618
   49   2HB   GLN   7          1HB       GLN   7  -6.967  -0.726   3.892
   50   1HG   GLN   7          2HG       GLN   7  -8.589   0.898   4.225
   51   2HG   GLN   7          1HG       GLN   7  -9.838  -0.044   3.413
   52   1HE2  GLN   7          1HE2      GLN   7  -8.931   1.065   6.306
   53   2HE2  GLN   7          2HE2      GLN   7  -9.602  -0.158   7.339
   54    H    SER   8           H        SER   8  -7.877  -3.174   1.162
   55    HA   SER   8           HA       SER   8  -9.350  -4.547   0.106
   56   1HB   SER   8          2HB       SER   8 -10.869  -3.067   1.980
   57   2HB   SER   8          1HB       SER   8 -11.827  -3.134   0.496
   58    HG   SER   8           HG       SER   8 -12.079  -5.220   0.748
   59    H    SER   9           H        SER   9 -11.723  -4.013  -1.289
   60    HA   SER   9           HA       SER   9 -10.624  -2.769  -3.656
   61   1HB   SER   9          2HB       SER   9 -13.023  -4.433  -3.035
   62   2HB   SER   9          1HB       SER   9 -13.065  -3.419  -4.478
   63    HG   SER   9           HG       SER   9 -11.709  -4.723  -5.414
   64    H    GLN  10           H        GLN  10 -13.927  -2.457  -2.389
   65    HA   GLN  10           HA       GLN  10 -14.149   0.217  -3.359
   66   1HB   GLN  10          2HB       GLN  10 -15.899  -1.700  -1.916
   67   2HB   GLN  10          1HB       GLN  10 -16.308   0.011  -1.799
   68   1HG   GLN  10          2HG       GLN  10 -15.710  -0.835  -4.512
   69   2HG   GLN  10          1HG       GLN  10 -17.059  -1.717  -3.794
   70   1HE2  GLN  10          1HE2      GLN  10 -18.090  -0.512  -5.653
   71   2HE2  GLN  10          2HE2      GLN  10 -18.757   1.050  -5.290
   72    H    ALA  11           H        ALA  11 -15.374   1.742  -1.591
   73    HA   ALA  11           HA       ALA  11 -15.133   3.124   0.198
   74   1HB   ALA  11          1HB       ALA  11 -14.995   0.713   1.315
   75   2HB   ALA  11          2HB       ALA  11 -14.755   2.197   2.237
   76   3HB   ALA  11          3HB       ALA  11 -13.362   1.269   1.683
   77    HA   PRO  12           HA       PRO  12 -10.903   4.081  -1.731
   78   1HB   PRO  12          2HB       PRO  12 -12.477   6.621  -1.908
   79   2HB   PRO  12          1HB       PRO  12 -11.293   5.950  -3.041
   80   1HG   PRO  12          2HG       PRO  12 -13.841   5.703  -3.611
   81   2HG   PRO  12          1HG       PRO  12 -12.768   4.293  -3.789
   82   1HD   PRO  12          2HD       PRO  12 -14.711   4.921  -1.586
   83   2HD   PRO  12          1HD       PRO  12 -14.405   3.372  -2.410
   84    H    THR  13           H        THR  13  -9.311   5.538  -0.899
   85    HA   THR  13           HA       THR  13  -9.903   7.228   1.347
   86    HB   THR  13           HB       THR  13  -8.131   4.834   1.847
   87    HG1  THR  13           1HG      THR  13 -10.753   5.271   2.825
   88   1HG2  THR  13          1HG2      THR  13  -9.283   6.868   3.740
   89   2HG2  THR  13          2HG2      THR  13  -7.594   6.737   3.252
   90   3HG2  THR  13          3HG2      THR  13  -8.342   5.446   4.193
   91    H    THR  14           H        THR  14  -8.210   8.630   1.865
   92    HA   THR  14           HA       THR  14  -5.684   8.325   0.438
   93    HB   THR  14           HB       THR  14  -5.777  10.554  -0.524
   94    HG1  THR  14           1HG      THR  14  -8.370  10.684   0.613
   95   1HG2  THR  14          1HG2      THR  14  -7.051  10.094  -2.327
   96   2HG2  THR  14          2HG2      THR  14  -8.436   9.585  -1.362
   97   3HG2  THR  14          3HG2      THR  14  -7.072   8.492  -1.591
   98    H    LYS  15           H        LYS  15  -3.975   9.597   1.283
   99    HA   LYS  15           HA       LYS  15  -4.425  11.303   3.558
  100   1HB   LYS  15          2HB       LYS  15  -4.223   8.628   4.133
  101   2HB   LYS  15          1HB       LYS  15  -2.556   9.162   4.302
  102   1HG   LYS  15          2HG       LYS  15  -3.222  10.836   5.918
  103   2HG   LYS  15          1HG       LYS  15  -4.918  10.398   5.705
  104   1HD   LYS  15          2HD       LYS  15  -4.723   8.500   6.935
  105   2HD   LYS  15          1HD       LYS  15  -3.061   8.208   6.417
  106   1HE   LYS  15          2HE       LYS  15  -2.612  10.381   7.854
  107   2HE   LYS  15          1HE       LYS  15  -4.096   9.871   8.656
  108   1HZ   LYS  15          1HZ       LYS  15  -3.092   8.096   9.576
  109   2HZ   LYS  15          2HZ       LYS  15  -1.683   9.003   9.346
  110   3HZ   LYS  15          3HZ       LYS  15  -2.104   7.799   8.235
  111    H    THR  16           H        THR  16  -2.189  11.904   4.551
  112    HA   THR  16           HA       THR  16  -0.053  11.835   2.561
  113    HB   THR  16           HB       THR  16  -0.570  14.501   3.755
  114    HG1  THR  16           1HG      THR  16  -2.196  13.357   1.743
  115   1HG2  THR  16          1HG2      THR  16   1.260  13.848   2.058
  116   2HG2  THR  16          2HG2      THR  16   0.366  15.350   1.829
  117   3HG2  THR  16          3HG2      THR  16  -0.046  13.925   0.875
  118    H    CYS  17           H        CYS  17   2.005  12.087   3.404
  119    HA   CYS  17           HA       CYS  17   2.153  12.146   6.347
  120   1HB   CYS  17          2HB       CYS  17   4.123  10.849   4.454
  121   2HB   CYS  17          1HB       CYS  17   4.104  10.729   6.215
  122    H    SER  18           H        SER  18   2.944  13.994   7.096
  123    HA   SER  18           HA       SER  18   4.395  15.826   5.456
  124   1HB   SER  18          2HB       SER  18   4.747  16.861   7.908
  125   2HB   SER  18          1HB       SER  18   3.232  17.024   7.021
  126    HG   SER  18           HG       SER  18   3.792  15.603   9.299
  127    H    GLY  19           H        GLY  19   5.250  13.533   7.992
  128   1HA   GLY  19          2HA       GLY  19   8.015  14.374   8.052
  129   2HA   GLY  19          1HA       GLY  19   7.315  13.005   8.915
  130    H    GLU  20           H        GLU  20   6.395  11.328   7.126
  131    HA   GLU  20           HA       GLU  20   8.662  10.120   6.019
  132   1HB   GLU  20          2HB       GLU  20   5.708   9.710   5.606
  133   2HB   GLU  20          1HB       GLU  20   6.906   8.734   4.763
  134   1HG   GLU  20          2HG       GLU  20   7.111   8.976   7.715
  135   2HG   GLU  20          1HG       GLU  20   5.839   7.959   7.039
  136    H    THR  21           H        THR  21   8.304   9.331   3.509
  137    HA   THR  21           HA       THR  21   7.775  11.682   1.861
  138    HB   THR  21           HB       THR  21  10.349  10.146   1.566
  139    HG1  THR  21           1HG      THR  21  11.270  11.443   2.945
  140   1HG2  THR  21          1HG2      THR  21   9.857  12.944   0.655
  141   2HG2  THR  21          2HG2      THR  21   9.353  11.575  -0.337
  142   3HG2  THR  21          3HG2      THR  21  11.052  11.774   0.095
  143    H    ASN  22           H        ASN  22   8.910   8.316   1.753
  144    HA   ASN  22           HA       ASN  22   7.432   7.961  -0.752
  145   1HB   ASN  22          2HB       ASN  22   8.756   5.690  -0.650
  146   2HB   ASN  22          1HB       ASN  22   9.548   7.168  -1.189
  147   1HD2  ASN  22          1HD2      ASN  22   8.873   5.369   1.779
  148   2HD2  ASN  22          2HD2      ASN  22  10.429   5.632   2.501
  149    H    CYS  23           H        CYS  23   6.261   5.955  -1.090
  150    HA   CYS  23           HA       CYS  23   5.107   4.857   1.386
  151   1HB   CYS  23          2HB       CYS  23   3.819   6.015  -1.022
  152   2HB   CYS  23          1HB       CYS  23   3.083   4.554  -0.370
  153    H    TYR  24           H        TYR  24   3.596   2.824   0.400
  154    HA   TYR  24           HA       TYR  24   5.167   1.313  -1.509
  155   1HB   TYR  24          2HB       TYR  24   5.188  -0.660   0.152
  156   2HB   TYR  24          1HB       TYR  24   6.386   0.618   0.332
  157    HD1  TYR  24           1HD      TYR  24   6.808   1.259   2.504
  158    HD2  TYR  24           2HD      TYR  24   2.889  -0.041   1.491
  159    HE1  TYR  24           1HE      TYR  24   6.102   1.597   4.834
  160    HE2  TYR  24           2HE      TYR  24   2.171   0.292   3.819
  161    HH   TYR  24           HH       TYR  24   3.094   0.450   6.028
  162    H    LYS  25           H        LYS  25   4.195  -0.617  -2.218
  163    HA   LYS  25           HA       LYS  25   1.306  -0.774  -1.724
  164   1HB   LYS  25          2HB       LYS  25   1.994  -1.963  -4.224
  165   2HB   LYS  25          1HB       LYS  25   0.948  -0.598  -3.906
  166   1HG   LYS  25          2HG       LYS  25   3.087   0.782  -3.804
  167   2HG   LYS  25          1HG       LYS  25   3.850  -0.612  -4.566
  168   1HD   LYS  25          2HD       LYS  25   1.480   0.904  -5.660
  169   2HD   LYS  25          1HD       LYS  25   3.145   1.072  -6.218
  170   1HE   LYS  25          2HE       LYS  25   3.024  -0.779  -7.465
  171   2HE   LYS  25          1HE       LYS  25   2.232  -1.693  -6.182
  172   1HZ   LYS  25          1HZ       LYS  25   0.255  -0.082  -6.938
  173   2HZ   LYS  25          2HZ       LYS  25   0.508  -1.618  -7.602
  174   3HZ   LYS  25          3HZ       LYS  25   1.071  -0.244  -8.412
  175    H    LYS  26           H        LYS  26   1.173  -2.428  -0.354
  176    HA   LYS  26           HA       LYS  26   2.566  -4.912  -1.078
  177   1HB   LYS  26          2HB       LYS  26   1.569  -5.404   1.416
  178   2HB   LYS  26          1HB       LYS  26   3.196  -4.862   1.063
  179   1HG   LYS  26          2HG       LYS  26   2.568  -2.567   1.490
  180   2HG   LYS  26          1HG       LYS  26   0.884  -3.046   1.716
  181   1HD   LYS  26          2HD       LYS  26   1.728  -4.551   3.588
  182   2HD   LYS  26          1HD       LYS  26   3.254  -3.673   3.460
  183   1HE   LYS  26          2HE       LYS  26   1.576  -1.597   3.607
  184   2HE   LYS  26          1HE       LYS  26   0.623  -2.787   4.492
  185   1HZ   LYS  26          1HZ       LYS  26   3.464  -2.333   5.147
  186   2HZ   LYS  26          2HZ       LYS  26   2.246  -2.998   6.115
  187   3HZ   LYS  26          3HZ       LYS  26   2.257  -1.338   5.791
  188    H    TRP  27           H        TRP  27   1.475  -6.720  -1.491
  189    HA   TRP  27           HA       TRP  27  -1.332  -6.940  -0.852
  190   1HB   TRP  27          2HB       TRP  27  -2.104  -7.287  -3.133
  191   2HB   TRP  27          1HB       TRP  27  -1.427  -5.694  -2.955
  192    HD1  TRP  27           HD       TRP  27  -0.935  -8.932  -4.662
  193    HE1  TRP  27           1HE      TRP  27   0.813  -8.698  -6.511
  194    HE3  TRP  27           3HE      TRP  27   0.750  -4.204  -3.607
  195    HZ2  TRP  27           2HZ      TRP  27   2.670  -6.795  -7.420
  196    HZ3  TRP  27           3HZ      TRP  27   2.523  -3.282  -5.025
  197    HH2  TRP  27           HH       TRP  27   3.457  -4.536  -6.890
  198    H    TRP  28           H        TRP  28  -2.266  -8.984  -1.601
  199    HA   TRP  28           HA       TRP  28  -0.480 -11.126  -2.328
  200   1HB   TRP  28          2HB       TRP  28  -0.930 -12.438  -0.238
  201   2HB   TRP  28          1HB       TRP  28   0.073 -11.015   0.021
  202    HD1  TRP  28           HD       TRP  28  -3.365 -12.402   0.789
  203    HE1  TRP  28           1HE      TRP  28  -4.431 -10.934   2.580
  204    HE3  TRP  28           3HE      TRP  28   0.080  -8.635   0.961
  205    HZ2  TRP  28           2HZ      TRP  28  -3.921  -8.512   3.928
  206    HZ3  TRP  28           3HZ      TRP  28  -0.285  -6.775   2.530
  207    HH2  TRP  28           HH       TRP  28  -2.247  -6.716   3.983
  208    H    SER  29           H        SER  29  -1.798 -13.317  -1.849
  209    HA   SER  29           HA       SER  29  -4.572 -12.843  -2.731
  210   1HB   SER  29          2HB       SER  29  -3.216 -15.375  -3.514
  211   2HB   SER  29          1HB       SER  29  -4.403 -14.407  -4.398
  212    HG   SER  29           HG       SER  29  -1.904 -14.477  -4.910
  213    H    ASP  30           H        ASP  30  -6.006 -13.525  -1.288
  214    HA   ASP  30           HA       ASP  30  -5.316 -15.853   0.383
  215   1HB   ASP  30          2HB       ASP  30  -5.634 -13.331   1.338
  216   2HB   ASP  30          1HB       ASP  30  -7.282 -13.943   1.480
  217    H    HIS  31           H        HIS  31  -7.798 -16.104   1.644
  218    HA   HIS  31           HA       HIS  31  -9.217 -17.641  -0.238
  219   1HB   HIS  31          2HB       HIS  31 -10.864 -17.970   1.508
  220   2HB   HIS  31          1HB       HIS  31  -9.254 -18.037   2.214
  221    HD1  HIS  31           1HD      HIS  31 -12.434 -16.749   2.953
  222    HD2  HIS  31           2HD      HIS  31  -8.587 -15.198   3.217
  223    HE1  HIS  31           1HE      HIS  31 -12.583 -14.855   4.600
  224    HE2  HIS  31           2HE      HIS  31 -10.226 -13.991   4.813
  225    H    ARG  32           H        ARG  32  -9.777 -14.402   1.065
  226    HA   ARG  32           HA       ARG  32 -12.269 -13.974  -0.197
  227   1HB   ARG  32          2HB       ARG  32 -10.229 -12.279   1.143
  228   2HB   ARG  32          1HB       ARG  32 -11.369 -11.463   0.073
  229   1HG   ARG  32          2HG       ARG  32 -13.047 -11.660   1.530
  230   2HG   ARG  32          1HG       ARG  32 -12.648 -13.339   1.903
  231   1HD   ARG  32          2HD       ARG  32 -12.293 -12.250   3.924
  232   2HD   ARG  32          1HD       ARG  32 -10.675 -12.343   3.230
  233    HE   ARG  32           HE       ARG  32 -10.630 -10.067   3.191
  234   1HH1  ARG  32          1HH1      ARG  32 -13.964 -11.087   3.314
  235   2HH1  ARG  32          2HH1      ARG  32 -14.582  -9.477   3.468
  236   1HH2  ARG  32          1HH2      ARG  32 -11.441  -7.947   3.395
  237   2HH2  ARG  32          2HH2      ARG  32 -13.149  -7.694   3.511
  238    H    GLY  33           H        GLY  33  -8.984 -13.761  -1.303
  239   1HA   GLY  33          2HA       GLY  33  -9.078 -14.002  -3.877
  240   2HA   GLY  33          1HA       GLY  33  -9.850 -12.421  -3.774
  241    H    THR  34           H        THR  34  -8.624 -10.614  -3.187
  242    HA   THR  34           HA       THR  34  -5.756 -10.977  -2.802
  243    HB   THR  34           HB       THR  34  -6.833  -9.172  -4.972
  244    HG1  THR  34           1HG      THR  34  -7.114 -11.285  -5.635
  245   1HG2  THR  34          1HG2      THR  34  -4.653  -8.762  -5.624
  246   2HG2  THR  34          2HG2      THR  34  -4.018 -10.139  -4.723
  247   3HG2  THR  34          3HG2      THR  34  -4.563  -8.700  -3.863
  248    H    ILE  35           H        ILE  35  -5.091  -9.692  -1.219
  249    HA   ILE  35           HA       ILE  35  -6.690  -7.294  -0.599
  250    HB   ILE  35           HB       ILE  35  -4.785  -8.616   1.315
  251   1HG1  ILE  35          2HG1      ILE  35  -7.740  -9.191   1.002
  252   2HG1  ILE  35          1HG1      ILE  35  -6.436 -10.302   0.600
  253   1HG2  ILE  35          1HG2      ILE  35  -5.287  -6.669   2.332
  254   2HG2  ILE  35          2HG2      ILE  35  -6.750  -7.533   2.801
  255   3HG2  ILE  35          3HG2      ILE  35  -6.774  -6.448   1.411
  256   1HD1  ILE  35          1HD1      ILE  35  -5.888  -9.663   3.202
  257   2HD1  ILE  35          2HD1      ILE  35  -6.736 -11.107   2.650
  258   3HD1  ILE  35          3HD1      ILE  35  -7.651  -9.692   3.169
  259    H    ILE  36           H        ILE  36  -5.645  -5.339  -0.142
  260    HA   ILE  36           HA       ILE  36  -2.755  -5.238  -0.598
  261    HB   ILE  36           HB       ILE  36  -2.904  -3.410  -2.164
  262   1HG1  ILE  36          2HG1      ILE  36  -4.990  -2.384  -1.323
  263   2HG1  ILE  36          1HG1      ILE  36  -5.026  -2.610  -3.066
  264   1HG2  ILE  36          1HG2      ILE  36  -3.568  -6.028  -2.724
  265   2HG2  ILE  36          2HG2      ILE  36  -3.095  -4.798  -3.894
  266   3HG2  ILE  36          3HG2      ILE  36  -4.802  -5.097  -3.570
  267   1HD1  ILE  36          1HD1      ILE  36  -6.730  -3.740  -0.993
  268   2HD1  ILE  36          2HD1      ILE  36  -6.163  -4.920  -2.176
  269   3HD1  ILE  36          3HD1      ILE  36  -7.040  -3.485  -2.710
  270    H    GLU  37           H        GLU  37  -1.745  -3.967   0.821
  271    HA   GLU  37           HA       GLU  37  -3.341  -1.963   2.268
  272   1HB   GLU  37          2HB       GLU  37  -1.231  -2.376   3.921
  273   2HB   GLU  37          1HB       GLU  37  -2.776  -3.211   4.066
  274   1HG   GLU  37          2HG       GLU  37  -1.907  -5.103   2.860
  275   2HG   GLU  37          1HG       GLU  37  -0.385  -4.264   2.568
  276    H    ARG  38           H        ARG  38  -2.134  -0.080   3.019
  277    HA   ARG  38           HA       ARG  38   0.193   0.541   1.331
  278   1HB   ARG  38          2HB       ARG  38  -1.957   2.551   1.974
  279   2HB   ARG  38          1HB       ARG  38  -0.648   2.702   0.811
  280   1HG   ARG  38          2HG       ARG  38  -2.476   0.451   0.340
  281   2HG   ARG  38          1HG       ARG  38  -3.191   2.056   0.176
  282   1HD   ARG  38          2HD       ARG  38  -1.094   2.573  -1.252
  283   2HD   ARG  38          1HD       ARG  38  -0.939   0.819  -1.362
  284    HE   ARG  38           HE       ARG  38  -2.910   2.478  -2.653
  285   1HH1  ARG  38          1HH1      ARG  38  -2.126  -0.747  -1.571
  286   2HH1  ARG  38          2HH1      ARG  38  -3.205  -1.515  -2.686
  287   1HH2  ARG  38          1HH2      ARG  38  -4.330   1.469  -4.116
  288   2HH2  ARG  38          2HH2      ARG  38  -4.456  -0.259  -4.131
  289    H    GLY  39           H        GLY  39   1.158   2.748   2.129
  290   1HA   GLY  39          2HA       GLY  39   0.951   3.691   4.701
  291   2HA   GLY  39          1HA       GLY  39   2.013   2.296   4.821
  292    H    CYS  40           H        CYS  40   3.026   4.677   5.555
  293    HA   CYS  40           HA       CYS  40   4.554   5.674   3.260
  294   1HB   CYS  40          2HB       CYS  40   3.732   6.815   5.876
  295   2HB   CYS  40          1HB       CYS  40   5.291   7.331   5.235
  296    H    GLY  41           H        GLY  41   6.559   4.987   2.946
  297   1HA   GLY  41          2HA       GLY  41   8.791   4.915   4.179
  298   2HA   GLY  41          1HA       GLY  41   7.979   3.740   5.214
  299    H    CYS  42           H        CYS  42   9.563   2.174   4.661
  300    HA   CYS  42           HA       CYS  42   8.848   0.630   2.349
  301   1HB   CYS  42          2HB       CYS  42  10.448   2.318   1.416
  302   2HB   CYS  42          1HB       CYS  42  11.683   1.675   2.501
  303    HA   PRO  43           HA       PRO  43  10.659  -1.679   5.982
  304   1HB   PRO  43          2HB       PRO  43   8.443  -2.880   6.892
  305   2HB   PRO  43          1HB       PRO  43   8.846  -1.215   7.345
  306   1HG   PRO  43          2HG       PRO  43   6.900  -2.208   5.296
  307   2HG   PRO  43          1HG       PRO  43   6.724  -0.880   6.462
  308   1HD   PRO  43          2HD       PRO  43   7.392  -0.541   3.812
  309   2HD   PRO  43          1HD       PRO  43   7.803   0.610   5.103
  310    H    LYS  44           H        LYS  44   9.898  -4.187   6.490
  311    HA   LYS  44           HA       LYS  44   9.793  -5.526   3.869
  312   1HB   LYS  44          2HB       LYS  44  11.823  -5.664   5.934
  313   2HB   LYS  44          1HB       LYS  44  11.174  -7.253   5.550
  314   1HG   LYS  44          2HG       LYS  44  12.281  -5.300   3.545
  315   2HG   LYS  44          1HG       LYS  44  13.139  -6.686   4.207
  316   1HD   LYS  44          2HD       LYS  44  11.855  -8.210   3.051
  317   2HD   LYS  44          1HD       LYS  44  10.485  -7.107   2.919
  318   1HE   LYS  44          2HE       LYS  44  12.363  -5.758   1.510
  319   2HE   LYS  44          1HE       LYS  44  12.839  -7.425   1.184
  320   1HZ   LYS  44          1HZ       LYS  44  10.473  -5.972   0.335
  321   2HZ   LYS  44          2HZ       LYS  44  10.213  -7.577   0.801
  322   3HZ   LYS  44          3HZ       LYS  44  11.312  -7.224  -0.436
  323    H    VAL  45           H        VAL  45   9.407  -8.021   4.310
  324    HA   VAL  45           HA       VAL  45   7.624  -8.554   6.519
  325    HB   VAL  45           HB       VAL  45   5.711  -9.208   5.111
  326   1HG1  VAL  45          1HG1      VAL  45   4.812  -7.052   4.849
  327   2HG1  VAL  45          2HG1      VAL  45   6.395  -6.341   4.534
  328   3HG1  VAL  45          3HG1      VAL  45   5.989  -6.906   6.155
  329   1HG2  VAL  45          1HG2      VAL  45   7.570  -8.398   2.958
  330   2HG2  VAL  45          2HG2      VAL  45   5.875  -7.962   2.748
  331   3HG2  VAL  45          3HG2      VAL  45   6.329  -9.651   2.975
  332    H    LYS  46           H        LYS  46   6.443 -10.836   5.794
  333    HA   LYS  46           HA       LYS  46   8.619 -12.654   5.623
  334   1HB   LYS  46          2HB       LYS  46   6.910 -14.384   5.992
  335   2HB   LYS  46          1HB       LYS  46   6.790 -13.080   7.165
  336   1HG   LYS  46          2HG       LYS  46   5.113 -12.208   5.227
  337   2HG   LYS  46          1HG       LYS  46   4.893 -13.955   5.117
  338   1HD   LYS  46          2HD       LYS  46   3.291 -12.977   6.674
  339   2HD   LYS  46          1HD       LYS  46   4.416 -14.041   7.519
  340   1HE   LYS  46          2HE       LYS  46   5.397 -11.320   7.414
  341   2HE   LYS  46          1HE       LYS  46   3.801 -11.405   8.159
  342   1HZ   LYS  46          1HZ       LYS  46   4.877 -13.361   9.461
  343   2HZ   LYS  46          2HZ       LYS  46   5.167 -11.767   9.944
  344   3HZ   LYS  46          3HZ       LYS  46   6.331 -12.603   9.047
  345    HA   PRO  47           HA       PRO  47   8.268 -13.790   1.385
  346   1HB   PRO  47          2HB       PRO  47   8.496 -16.568   1.565
  347   2HB   PRO  47          1HB       PRO  47   9.818 -15.420   1.491
  348   1HG   PRO  47          2HG       PRO  47   8.997 -17.035   3.668
  349   2HG   PRO  47          1HG       PRO  47  10.386 -15.957   3.563
  350   1HD   PRO  47          2HD       PRO  47   7.877 -15.566   4.935
  351   2HD   PRO  47          1HD       PRO  47   9.350 -14.579   4.983
  352    H    GLY  48           H        GLY  48   6.806 -14.327  -0.172
  353   1HA   GLY  48          2HA       GLY  48   5.003 -15.797  -0.942
  354   2HA   GLY  48          1HA       GLY  48   4.390 -15.785   0.712
  355    H    VAL  49           H        VAL  49   4.935 -12.902   1.001
  356    HA   VAL  49           HA       VAL  49   2.540 -11.940  -0.387
  357    HB   VAL  49           HB       VAL  49   4.060 -10.642   1.880
  358   1HG1  VAL  49          1HG1      VAL  49   2.866  -8.880   1.123
  359   2HG1  VAL  49          2HG1      VAL  49   1.568  -9.653   2.032
  360   3HG1  VAL  49          3HG1      VAL  49   1.690  -9.896   0.289
  361   1HG2  VAL  49          1HG2      VAL  49   3.223 -12.393   3.037
  362   2HG2  VAL  49          2HG2      VAL  49   1.980 -12.734   1.833
  363   3HG2  VAL  49          3HG2      VAL  49   1.745 -11.430   2.996
  364    H    ASN  50           H        ASN  50   2.536  -9.938  -1.503
  365    HA   ASN  50           HA       ASN  50   5.149  -9.260  -2.632
  366   1HB   ASN  50          2HB       ASN  50   2.585  -8.115  -3.659
  367   2HB   ASN  50          1HB       ASN  50   4.066  -8.493  -4.534
  368   1HD2  ASN  50          1HD2      ASN  50   1.028  -9.647  -3.443
  369   2HD2  ASN  50          2HD2      ASN  50   1.110 -11.215  -4.181
  370    H    LEU  51           H        LEU  51   5.902  -7.157  -2.760
  371    HA   LEU  51           HA       LEU  51   4.500  -4.959  -1.565
  372   1HB   LEU  51          2HB       LEU  51   5.250  -5.985   0.462
  373   2HB   LEU  51          1HB       LEU  51   6.861  -6.222  -0.186
  374    HG   LEU  51           HG       LEU  51   6.946  -3.633  -0.307
  375   1HD1  LEU  51          1HD1      LEU  51   5.522  -2.416   1.078
  376   2HD1  LEU  51          2HD1      LEU  51   4.943  -3.860   1.909
  377   3HD1  LEU  51          3HD1      LEU  51   4.446  -3.540   0.247
  378   1HD2  LEU  51          1HD2      LEU  51   6.926  -4.532   2.509
  379   2HD2  LEU  51          2HD2      LEU  51   8.176  -3.689   1.592
  380   3HD2  LEU  51          3HD2      LEU  51   7.953  -5.427   1.389
  381    H    ASN  52           H        ASN  52   5.232  -3.050  -2.392
  382    HA   ASN  52           HA       ASN  52   7.930  -2.903  -3.486
  383   1HB   ASN  52          2HB       ASN  52   5.620  -2.136  -5.258
  384   2HB   ASN  52          1HB       ASN  52   7.310  -2.355  -5.697
  385   1HD2  ASN  52          1HD2      ASN  52   4.509  -4.101  -4.442
  386   2HD2  ASN  52          2HD2      ASN  52   4.879  -5.603  -5.214
  387    H    CYS  53           H        CYS  53   8.761  -1.098  -2.689
  388    HA   CYS  53           HA       CYS  53   7.102   1.070  -1.798
  389   1HB   CYS  53          2HB       CYS  53  10.105   1.126  -1.981
  390   2HB   CYS  53          1HB       CYS  53   9.054   1.965  -0.845
  391    H    CYS  54           H        CYS  54   7.401   3.284  -2.480
  392    HA   CYS  54           HA       CYS  54   8.769   3.884  -4.925
  393   1HB   CYS  54          2HB       CYS  54   6.537   4.739  -5.969
  394   2HB   CYS  54          1HB       CYS  54   6.985   3.044  -6.144
  395    H    ARG  55           H        ARG  55   8.796   6.016  -5.462
  396    HA   ARG  55           HA       ARG  55   7.993   7.803  -3.288
  397   1HB   ARG  55          2HB       ARG  55  10.191   8.800  -4.840
  398   2HB   ARG  55          1HB       ARG  55  10.102   8.452  -3.123
  399   1HG   ARG  55          2HG       ARG  55  10.435   5.974  -3.996
  400   2HG   ARG  55          1HG       ARG  55  11.208   6.834  -5.331
  401   1HD   ARG  55          2HD       ARG  55  11.872   7.244  -2.419
  402   2HD   ARG  55          1HD       ARG  55  12.758   6.164  -3.496
  403    HE   ARG  55           HE       ARG  55  12.711   8.610  -4.747
  404   1HH1  ARG  55          1HH1      ARG  55  13.906   7.338  -1.727
  405   2HH1  ARG  55          2HH1      ARG  55  15.206   8.477  -1.615
  406   1HH2  ARG  55          1HH2      ARG  55  14.423  10.111  -4.604
  407   2HH2  ARG  55          2HH2      ARG  55  15.500  10.051  -3.250
  408    H    THR  56           H        THR  56   6.443   7.166  -5.671
  409    HA   THR  56           HA       THR  56   6.518   9.770  -7.049
  410    HB   THR  56           HB       THR  56   4.870   7.895  -8.444
  411    HG1  THR  56           1HG      THR  56   5.930   6.156  -7.785
  412   1HG2  THR  56          1HG2      THR  56   6.878   9.778  -9.034
  413   2HG2  THR  56          2HG2      THR  56   5.801   8.936 -10.148
  414   3HG2  THR  56          3HG2      THR  56   7.371   8.243  -9.745
  415    H    ASP  57           H        ASP  57   4.602  10.914  -7.340
  416    HA   ASP  57           HA       ASP  57   2.708  10.733  -5.270
  417   1HB   ASP  57          2HB       ASP  57   3.376  12.711  -6.909
  418   2HB   ASP  57          1HB       ASP  57   1.994  12.106  -7.825
  419    H    ARG  58           H        ARG  58   1.063   9.381  -5.019
  420    HA   ARG  58           HA       ARG  58  -0.680   7.986  -5.452
  421   1HB   ARG  58          2HB       ARG  58  -0.561   8.965  -8.308
  422   2HB   ARG  58          1HB       ARG  58  -1.932   8.217  -7.491
  423   1HG   ARG  58          2HG       ARG  58  -2.048  10.168  -5.981
  424   2HG   ARG  58          1HG       ARG  58  -0.743  10.921  -6.899
  425   1HD   ARG  58          2HD       ARG  58  -2.175  10.727  -8.937
  426   2HD   ARG  58          1HD       ARG  58  -3.488  10.175  -7.898
  427    HE   ARG  58           HE       ARG  58  -2.342  12.691  -7.100
  428   1HH1  ARG  58          1HH1      ARG  58  -4.724  11.137  -9.123
  429   2HH1  ARG  58          2HH1      ARG  58  -5.733  12.541  -9.228
  430   1HH2  ARG  58          1HH2      ARG  58  -3.669  14.538  -7.236
  431   2HH2  ARG  58          2HH2      ARG  58  -5.135  14.472  -8.156
  432    H    CYS  59           H        CYS  59   2.141   7.201  -5.838
  433    HA   CYS  59           HA       CYS  59   2.369   5.458  -8.042
  434   1HB   CYS  59          2HB       CYS  59   4.375   4.696  -7.032
  435   2HB   CYS  59          1HB       CYS  59   4.249   6.409  -6.647
  436    H    ASN  60           H        ASN  60   0.581   5.199  -5.163
  437    HA   ASN  60           HA       ASN  60   0.151   2.335  -5.677
  438   1HB   ASN  60          2HB       ASN  60  -0.105   1.995  -3.222
  439   2HB   ASN  60          1HB       ASN  60   1.532   2.464  -3.693
  440   1HD2  ASN  60          1HD2      ASN  60   1.350   2.870  -1.251
  441   2HD2  ASN  60          2HD2      ASN  60   0.941   4.495  -0.796
  442    H    ASN  61           H        ASN  61  -1.567   3.655  -6.948
  443    HA   ASN  61           HA       ASN  61  -3.783   4.569  -5.324
  444   1HB   ASN  61          2HB       ASN  61  -4.839   4.932  -7.609
  445   2HB   ASN  61          1HB       ASN  61  -3.407   5.886  -7.256
  446   1HD2  ASN  61          1HD2      ASN  61  -1.578   5.587  -8.433
  447   2HD2  ASN  61          2HD2      ASN  61  -1.494   4.555  -9.827
  Start of MODEL   15
    1   1H    LEU   1          1HT       LEU   1   3.186  15.029   0.546
    2   2H    LEU   1          2HT       LEU   1   4.769  14.367   0.494
    3   3H    LEU   1          3HT       LEU   1   3.566  13.647   1.484
    4    HA   LEU   1           HA       LEU   1   3.819  13.642  -1.431
    5   1HB   LEU   1          2HB       LEU   1   4.348  11.867   0.710
    6   2HB   LEU   1          1HB       LEU   1   2.994  11.210  -0.189
    7    HG   LEU   1           HG       LEU   1   5.223  10.393  -0.921
    8   1HD1  LEU   1          1HD1      LEU   1   3.645  11.886  -2.992
    9   2HD1  LEU   1          2HD1      LEU   1   3.312  10.257  -2.400
   10   3HD1  LEU   1          3HD1      LEU   1   4.792  10.581  -3.305
   11   1HD2  LEU   1          1HD2      LEU   1   6.900  11.765  -1.407
   12   2HD2  LEU   1          2HD2      LEU   1   5.893  13.103  -0.852
   13   3HD2  LEU   1          3HD2      LEU   1   5.899  12.652  -2.558
   14    H    GLU   2           H        GLU   2   1.992  11.668  -1.881
   15    HA   GLU   2           HA       GLU   2  -0.593  12.352  -0.839
   16   1HB   GLU   2          2HB       GLU   2   0.369  13.681  -3.222
   17   2HB   GLU   2          1HB       GLU   2  -1.049  12.709  -3.589
   18   1HG   GLU   2          2HG       GLU   2  -2.386  13.884  -2.057
   19   2HG   GLU   2          1HG       GLU   2  -0.986  14.630  -1.287
   20    H    CYS   3           H        CYS   3   0.209  10.003  -0.495
   21    HA   CYS   3           HA       CYS   3  -0.150   8.254  -2.759
   22   1HB   CYS   3          2HB       CYS   3  -0.042   7.145  -0.006
   23   2HB   CYS   3          1HB       CYS   3   0.767   6.611  -1.474
   24    H    HIS   4           H        HIS   4  -1.414   6.084  -1.736
   25    HA   HIS   4           HA       HIS   4  -4.143   7.071  -1.231
   26   1HB   HIS   4          2HB       HIS   4  -3.178   4.701  -2.837
   27   2HB   HIS   4          1HB       HIS   4  -4.862   4.907  -2.349
   28    HD1  HIS   4           1HD      HIS   4  -5.927   7.304  -3.208
   29    HD2  HIS   4           2HD      HIS   4  -2.607   5.831  -5.226
   30    HE1  HIS   4           1HE      HIS   4  -5.909   8.490  -5.424
   31    HE2  HIS   4           2HE      HIS   4  -3.993   7.455  -6.688
   32    H    ASN   5           H        ASN   5  -4.091   6.919   1.000
   33    HA   ASN   5           HA       ASN   5  -3.242   4.477   2.289
   34   1HB   ASN   5          2HB       ASN   5  -4.033   5.663   4.375
   35   2HB   ASN   5          1HB       ASN   5  -2.767   6.500   3.471
   36   1HD2  ASN   5          1HD2      ASN   5  -3.221   8.416   2.454
   37   2HD2  ASN   5          2HD2      ASN   5  -4.693   9.298   2.721
   38    H    GLN   6           H        GLN   6  -5.041   3.548   0.692
   39    HA   GLN   6           HA       GLN   6  -7.410   3.099   2.374
   40   1HB   GLN   6          2HB       GLN   6  -8.768   2.950   0.285
   41   2HB   GLN   6          1HB       GLN   6  -8.145   4.561   0.615
   42   1HG   GLN   6          2HG       GLN   6  -7.400   4.579  -1.469
   43   2HG   GLN   6          1HG       GLN   6  -6.187   3.406  -0.956
   44   1HE2  GLN   6          1HE2      GLN   6  -6.246   2.697  -3.173
   45   2HE2  GLN   6          2HE2      GLN   6  -7.481   1.590  -3.687
   46    H    GLN   7           H        GLN   7  -7.187   1.063   3.051
   47    HA   GLN   7           HA       GLN   7  -5.887  -0.943   1.456
   48   1HB   GLN   7          2HB       GLN   7  -6.641  -2.428   3.407
   49   2HB   GLN   7          1HB       GLN   7  -5.468  -1.169   3.749
   50   1HG   GLN   7          2HG       GLN   7  -8.279  -0.392   4.090
   51   2HG   GLN   7          1HG       GLN   7  -7.694  -1.628   5.202
   52   1HE2  GLN   7          1HE2      GLN   7  -8.322   1.434   5.199
   53   2HE2  GLN   7          2HE2      GLN   7  -7.009   2.081   6.134
   54    H    SER   8           H        SER   8  -6.877  -2.979   0.866
   55    HA   SER   8           HA       SER   8  -8.471  -4.244  -0.151
   56   1HB   SER   8          2HB       SER   8 -10.624  -2.732   1.302
   57   2HB   SER   8          1HB       SER   8 -10.559  -4.448   0.882
   58    HG   SER   8           HG       SER   8  -9.391  -3.081   3.016
   59    H    SER   9           H        SER   9 -11.015  -3.709  -1.069
   60    HA   SER   9           HA       SER   9 -10.441  -1.694  -3.113
   61   1HB   SER   9          2HB       SER   9 -11.280  -4.212  -3.462
   62   2HB   SER   9          1HB       SER   9 -12.852  -3.427  -3.306
   63    HG   SER   9           HG       SER   9 -10.836  -2.505  -5.068
   64    H    GLN  10           H        GLN  10 -11.316  -1.001  -0.388
   65    HA   GLN  10           HA       GLN  10 -14.058  -0.190  -0.543
   66   1HB   GLN  10          2HB       GLN  10 -11.832   0.131   1.402
   67   2HB   GLN  10          1HB       GLN  10 -13.182   1.261   1.506
   68   1HG   GLN  10          2HG       GLN  10 -14.033  -1.500   1.249
   69   2HG   GLN  10          1HG       GLN  10 -13.026  -1.221   2.671
   70   1HE2  GLN  10          1HE2      GLN  10 -15.972  -1.745   2.205
   71   2HE2  GLN  10          2HE2      GLN  10 -16.770  -0.510   3.129
   72    H    ALA  11           H        ALA  11 -14.327   2.300   0.247
   73    HA   ALA  11           HA       ALA  11 -13.918   3.850  -2.041
   74   1HB   ALA  11          1HB       ALA  11 -14.883   4.345   0.705
   75   2HB   ALA  11          2HB       ALA  11 -15.620   4.739  -0.848
   76   3HB   ALA  11          3HB       ALA  11 -14.333   5.755  -0.201
   77    HA   PRO  12           HA       PRO  12  -9.463   4.543  -1.669
   78   1HB   PRO  12          2HB       PRO  12 -10.408   6.719  -3.509
   79   2HB   PRO  12          1HB       PRO  12  -8.953   5.715  -3.615
   80   1HG   PRO  12          2HG       PRO  12 -11.028   5.104  -5.112
   81   2HG   PRO  12          1HG       PRO  12 -10.156   3.817  -4.246
   82   1HD   PRO  12          2HD       PRO  12 -12.802   5.063  -3.623
   83   2HD   PRO  12          1HD       PRO  12 -12.270   3.375  -3.429
   84    H    THR  13           H        THR  13  -8.089   6.399  -1.081
   85    HA   THR  13           HA       THR  13  -9.377   8.729   0.049
   86    HB   THR  13           HB       THR  13  -8.249   8.333   2.292
   87    HG1  THR  13           1HG      THR  13  -6.895   6.637   1.730
   88   1HG2  THR  13          1HG2      THR  13 -10.655   8.067   2.082
   89   2HG2  THR  13          2HG2      THR  13  -9.974   6.863   3.177
   90   3HG2  THR  13          3HG2      THR  13 -10.433   6.406   1.536
   91    H    THR  14           H        THR  14  -8.025  10.469   0.170
   92    HA   THR  14           HA       THR  14  -5.179   9.996  -0.421
   93    HB   THR  14           HB       THR  14  -5.158  11.937  -1.878
   94    HG1  THR  14           1HG      THR  14  -7.921  12.133  -1.270
   95   1HG2  THR  14          1HG2      THR  14  -7.529  10.285  -2.691
   96   2HG2  THR  14          2HG2      THR  14  -5.857   9.749  -2.858
   97   3HG2  THR  14          3HG2      THR  14  -6.417  11.174  -3.731
   98    H    LYS  15           H        LYS  15  -3.819  10.904   0.972
   99    HA   LYS  15           HA       LYS  15  -4.431  13.412   2.267
  100   1HB   LYS  15          2HB       LYS  15  -5.369  11.272   3.587
  101   2HB   LYS  15          1HB       LYS  15  -3.720  11.268   4.194
  102   1HG   LYS  15          2HG       LYS  15  -5.034  12.502   5.730
  103   2HG   LYS  15          1HG       LYS  15  -4.049  13.666   4.841
  104   1HD   LYS  15          2HD       LYS  15  -6.161  14.650   4.872
  105   2HD   LYS  15          1HD       LYS  15  -6.089  13.881   3.285
  106   1HE   LYS  15          2HE       LYS  15  -8.216  13.355   4.168
  107   2HE   LYS  15          1HE       LYS  15  -7.243  11.894   4.339
  108   1HZ   LYS  15          1HZ       LYS  15  -7.289  13.764   6.585
  109   2HZ   LYS  15          2HZ       LYS  15  -7.197  12.076   6.588
  110   3HZ   LYS  15          3HZ       LYS  15  -8.680  12.840   6.311
  111    H    THR  16           H        THR  16  -2.600  14.196   3.584
  112    HA   THR  16           HA       THR  16  -0.085  13.374   2.353
  113    HB   THR  16           HB       THR  16   0.581  15.503   3.899
  114    HG1  THR  16           1HG      THR  16  -2.069  16.031   3.056
  115   1HG2  THR  16          1HG2      THR  16   1.173  15.803   1.728
  116   2HG2  THR  16          2HG2      THR  16  -0.204  16.902   1.813
  117   3HG2  THR  16          3HG2      THR  16  -0.400  15.297   1.110
  118    H    CYS  17           H        CYS  17   1.802  12.937   3.574
  119    HA   CYS  17           HA       CYS  17   1.222  11.676   6.145
  120   1HB   CYS  17          2HB       CYS  17   3.607  11.511   4.294
  121   2HB   CYS  17          1HB       CYS  17   3.534  10.714   5.867
  122    H    SER  18           H        SER  18   2.805  11.908   7.912
  123    HA   SER  18           HA       SER  18   3.956  14.618   7.977
  124   1HB   SER  18          2HB       SER  18   3.560  14.012  10.614
  125   2HB   SER  18          1HB       SER  18   2.436  14.944   9.623
  126    HG   SER  18           HG       SER  18   1.274  13.058   9.236
  127    H    GLY  19           H        GLY  19   5.913  13.566   7.148
  128   1HA   GLY  19          2HA       GLY  19   8.079  13.418   8.505
  129   2HA   GLY  19          1HA       GLY  19   7.328  11.979   9.193
  130    H    GLU  20           H        GLU  20   6.413  10.491   7.312
  131    HA   GLU  20           HA       GLU  20   8.638   9.431   5.991
  132   1HB   GLU  20          2HB       GLU  20   5.680   9.002   5.793
  133   2HB   GLU  20          1HB       GLU  20   6.749   8.245   4.613
  134   1HG   GLU  20          2HG       GLU  20   6.875   7.893   7.600
  135   2HG   GLU  20          1HG       GLU  20   6.232   6.731   6.440
  136    H    THR  21           H        THR  21   9.080   9.263   3.717
  137    HA   THR  21           HA       THR  21   8.180  11.631   2.214
  138    HB   THR  21           HB       THR  21  10.782  10.114   1.958
  139    HG1  THR  21           1HG      THR  21  10.790  11.339   3.820
  140   1HG2  THR  21          1HG2      THR  21   9.858  12.638   0.611
  141   2HG2  THR  21          2HG2      THR  21  10.223  11.094  -0.160
  142   3HG2  THR  21          3HG2      THR  21  11.512  12.029   0.597
  143    H    ASN  22           H        ASN  22   9.046   8.219   1.936
  144    HA   ASN  22           HA       ASN  22   7.693   8.134  -0.672
  145   1HB   ASN  22          2HB       ASN  22   8.878   5.731  -0.572
  146   2HB   ASN  22          1HB       ASN  22   9.695   7.169  -1.181
  147   1HD2  ASN  22          1HD2      ASN  22   8.984   5.841   2.024
  148   2HD2  ASN  22          2HD2      ASN  22  10.615   5.929   2.613
  149    H    CYS  23           H        CYS  23   6.399   6.208  -1.144
  150    HA   CYS  23           HA       CYS  23   5.076   5.157   1.266
  151   1HB   CYS  23          2HB       CYS  23   4.001   6.366  -1.213
  152   2HB   CYS  23          1HB       CYS  23   3.154   4.934  -0.631
  153    H    TYR  24           H        TYR  24   3.467   3.249   0.058
  154    HA   TYR  24           HA       TYR  24   5.105   1.601  -1.656
  155   1HB   TYR  24          2HB       TYR  24   5.109  -0.333  -0.099
  156   2HB   TYR  24          1HB       TYR  24   6.078   1.024   0.478
  157    HD1  TYR  24           1HD      TYR  24   2.633  -0.389   0.781
  158    HD2  TYR  24           2HD      TYR  24   5.801   1.727   2.672
  159    HE1  TYR  24           1HE      TYR  24   1.378  -0.412   2.895
  160    HE2  TYR  24           2HE      TYR  24   4.555   1.709   4.793
  161    HH   TYR  24           HH       TYR  24   2.356  -0.189   5.618
  162    H    LYS  25           H        LYS  25   4.042  -0.608  -1.916
  163    HA   LYS  25           HA       LYS  25   1.152  -0.604  -1.617
  164   1HB   LYS  25          2HB       LYS  25   2.083   0.441  -3.927
  165   2HB   LYS  25          1HB       LYS  25   2.072  -1.264  -4.355
  166   1HG   LYS  25          2HG       LYS  25  -0.358  -1.109  -3.310
  167   2HG   LYS  25          1HG       LYS  25  -0.175   0.567  -3.824
  168   1HD   LYS  25          2HD       LYS  25  -0.355   0.039  -5.996
  169   2HD   LYS  25          1HD       LYS  25   0.692  -1.371  -5.830
  170   1HE   LYS  25          2HE       LYS  25  -1.458  -2.300  -4.552
  171   2HE   LYS  25          1HE       LYS  25  -2.256  -1.150  -5.624
  172   1HZ   LYS  25          1HZ       LYS  25  -0.685  -3.543  -6.323
  173   2HZ   LYS  25          2HZ       LYS  25  -0.855  -2.283  -7.437
  174   3HZ   LYS  25          3HZ       LYS  25  -2.225  -3.086  -6.856
  175    H    LYS  26           H        LYS  26   0.768  -2.526  -0.748
  176    HA   LYS  26           HA       LYS  26   2.340  -4.824  -1.708
  177   1HB   LYS  26          2HB       LYS  26   1.493  -5.614   0.760
  178   2HB   LYS  26          1HB       LYS  26   3.060  -4.914   0.416
  179   1HG   LYS  26          2HG       LYS  26   2.336  -2.750   1.117
  180   2HG   LYS  26          1HG       LYS  26   0.668  -3.306   1.259
  181   1HD   LYS  26          2HD       LYS  26   1.019  -4.199   3.288
  182   2HD   LYS  26          1HD       LYS  26   2.574  -4.886   2.816
  183   1HE   LYS  26          2HE       LYS  26   3.375  -2.406   2.909
  184   2HE   LYS  26          1HE       LYS  26   1.948  -2.181   3.920
  185   1HZ   LYS  26          1HZ       LYS  26   3.458  -2.720   5.504
  186   2HZ   LYS  26          2HZ       LYS  26   4.399  -3.674   4.471
  187   3HZ   LYS  26          3HZ       LYS  26   2.957  -4.286   5.108
  188    H    TRP  27           H        TRP  27   1.329  -6.834  -1.822
  189    HA   TRP  27           HA       TRP  27  -1.452  -7.142  -1.238
  190   1HB   TRP  27          2HB       TRP  27  -2.072  -7.774  -3.591
  191   2HB   TRP  27          1HB       TRP  27  -1.822  -6.073  -3.325
  192    HD1  TRP  27           HD       TRP  27  -0.589  -8.950  -5.261
  193    HE1  TRP  27           1HE      TRP  27   1.163  -8.181  -6.961
  194    HE3  TRP  27           3HE      TRP  27   0.113  -4.177  -3.594
  195    HZ2  TRP  27           2HZ      TRP  27   2.661  -5.861  -7.533
  196    HZ3  TRP  27           3HZ      TRP  27   1.710  -2.765  -4.769
  197    HH2  TRP  27           HH       TRP  27   2.965  -3.572  -6.697
  198    H    TRP  28           H        TRP  28  -2.228  -9.289  -1.667
  199    HA   TRP  28           HA       TRP  28  -0.264 -11.313  -2.371
  200   1HB   TRP  28          2HB       TRP  28  -0.607 -12.544  -0.219
  201   2HB   TRP  28          1HB       TRP  28   0.227 -11.008  -0.021
  202    HD1  TRP  28           HD       TRP  28  -2.939 -12.793   0.921
  203    HE1  TRP  28           1HE      TRP  28  -4.243 -11.329   2.553
  204    HE3  TRP  28           3HE      TRP  28  -0.204  -8.494   0.573
  205    HZ2  TRP  28           2HZ      TRP  28  -4.158  -8.713   3.598
  206    HZ3  TRP  28           3HZ      TRP  28  -0.877  -6.558   1.927
  207    HH2  TRP  28           HH       TRP  28  -2.818  -6.664   3.408
  208    H    SER  29           H        SER  29  -1.393 -13.577  -1.799
  209    HA   SER  29           HA       SER  29  -4.168 -13.392  -2.778
  210   1HB   SER  29          2HB       SER  29  -2.133 -14.434  -4.215
  211   2HB   SER  29          1HB       SER  29  -2.640 -15.874  -3.325
  212    HG   SER  29           HG       SER  29  -4.421 -14.209  -4.775
  213    H    ASP  30           H        ASP  30  -5.381 -13.746  -1.012
  214    HA   ASP  30           HA       ASP  30  -4.640 -15.939   0.793
  215   1HB   ASP  30          2HB       ASP  30  -6.339 -14.924   2.330
  216   2HB   ASP  30          1HB       ASP  30  -4.987 -13.855   1.948
  217    H    HIS  31           H        HIS  31  -6.845 -16.823   1.868
  218    HA   HIS  31           HA       HIS  31  -8.015 -18.462  -0.083
  219   1HB   HIS  31          2HB       HIS  31  -9.619 -19.097   1.721
  220   2HB   HIS  31          1HB       HIS  31  -7.932 -19.185   2.217
  221    HD1  HIS  31           1HD      HIS  31 -11.138 -17.641   3.083
  222    HD2  HIS  31           2HD      HIS  31  -7.123 -16.996   3.937
  223    HE1  HIS  31           1HE      HIS  31 -11.114 -16.119   5.085
  224    HE2  HIS  31           2HE      HIS  31  -8.675 -15.822   5.642
  225    H    ARG  32           H        ARG  32  -9.086 -15.447   1.386
  226    HA   ARG  32           HA       ARG  32 -11.702 -15.477   0.282
  227   1HB   ARG  32          2HB       ARG  32 -10.017 -13.594   1.779
  228   2HB   ARG  32          1HB       ARG  32 -11.142 -12.817   0.664
  229   1HG   ARG  32          2HG       ARG  32 -12.922 -13.319   1.922
  230   2HG   ARG  32          1HG       ARG  32 -12.336 -14.944   2.280
  231   1HD   ARG  32          2HD       ARG  32 -12.537 -13.368   4.248
  232   2HD   ARG  32          1HD       ARG  32 -10.982 -14.175   4.050
  233    HE   ARG  32           HE       ARG  32 -11.114 -11.584   2.809
  234   1HH1  ARG  32          1HH1      ARG  32 -10.449 -13.312   5.767
  235   2HH1  ARG  32          2HH1      ARG  32  -9.442 -12.063   6.417
  236   1HH2  ARG  32          1HH2      ARG  32  -9.790  -9.939   3.663
  237   2HH2  ARG  32          2HH2      ARG  32  -9.068 -10.147   5.222
  238    H    GLY  33           H        GLY  33  -8.585 -14.418  -0.890
  239   1HA   GLY  33          2HA       GLY  33  -8.896 -14.568  -3.522
  240   2HA   GLY  33          1HA       GLY  33  -9.776 -13.077  -3.192
  241    H    THR  34           H        THR  34  -8.620 -11.316  -3.543
  242    HA   THR  34           HA       THR  34  -5.727 -11.404  -2.989
  243    HB   THR  34           HB       THR  34  -7.000  -9.663  -5.094
  244    HG1  THR  34           1HG      THR  34  -7.360 -11.842  -5.640
  245   1HG2  THR  34          1HG2      THR  34  -4.962  -8.817  -5.235
  246   2HG2  THR  34          2HG2      THR  34  -4.431 -10.384  -5.846
  247   3HG2  THR  34          3HG2      THR  34  -4.314 -10.022  -4.124
  248    H    ILE  35           H        ILE  35  -4.912  -9.851  -1.712
  249    HA   ILE  35           HA       ILE  35  -6.698  -7.625  -0.964
  250    HB   ILE  35           HB       ILE  35  -4.710  -9.053   0.786
  251   1HG1  ILE  35          2HG1      ILE  35  -6.601 -10.441   0.652
  252   2HG1  ILE  35          1HG1      ILE  35  -6.863  -9.493   2.107
  253   1HG2  ILE  35          1HG2      ILE  35  -6.541  -6.745   1.422
  254   2HG2  ILE  35          2HG2      ILE  35  -4.784  -6.670   1.286
  255   3HG2  ILE  35          3HG2      ILE  35  -5.530  -7.606   2.582
  256   1HD1  ILE  35          1HD1      ILE  35  -8.331  -9.483  -0.446
  257   2HD1  ILE  35          2HD1      ILE  35  -8.143  -7.935   0.377
  258   3HD1  ILE  35          3HD1      ILE  35  -8.915  -9.286   1.206
  259    H    ILE  36           H        ILE  36  -5.741  -5.590  -0.580
  260    HA   ILE  36           HA       ILE  36  -2.904  -5.299  -1.243
  261    HB   ILE  36           HB       ILE  36  -3.317  -3.483  -2.803
  262   1HG1  ILE  36          2HG1      ILE  36  -6.240  -4.083  -2.294
  263   2HG1  ILE  36          1HG1      ILE  36  -5.388  -2.583  -1.945
  264   1HG2  ILE  36          1HG2      ILE  36  -3.412  -4.934  -4.485
  265   2HG2  ILE  36          2HG2      ILE  36  -5.088  -5.345  -4.125
  266   3HG2  ILE  36          3HG2      ILE  36  -3.778  -6.181  -3.295
  267   1HD1  ILE  36          1HD1      ILE  36  -6.441  -3.616  -4.503
  268   2HD1  ILE  36          2HD1      ILE  36  -4.945  -2.685  -4.559
  269   3HD1  ILE  36          3HD1      ILE  36  -6.403  -1.972  -3.868
  270    H    GLU  37           H        GLU  37  -1.917  -3.958   0.180
  271    HA   GLU  37           HA       GLU  37  -3.586  -1.945   1.537
  272   1HB   GLU  37          2HB       GLU  37  -1.553  -2.368   3.311
  273   2HB   GLU  37          1HB       GLU  37  -3.152  -3.101   3.420
  274   1HG   GLU  37          2HG       GLU  37  -2.340  -5.093   2.313
  275   2HG   GLU  37          1HG       GLU  37  -0.754  -4.355   2.100
  276    H    ARG  38           H        ARG  38  -2.328  -0.090   2.402
  277    HA   ARG  38           HA       ARG  38   0.156   0.439   0.948
  278   1HB   ARG  38          2HB       ARG  38  -2.217   2.314   0.942
  279   2HB   ARG  38          1HB       ARG  38  -0.640   2.647   0.238
  280   1HG   ARG  38          2HG       ARG  38  -1.495   1.886  -1.666
  281   2HG   ARG  38          1HG       ARG  38  -1.358   0.276  -0.956
  282   1HD   ARG  38          2HD       ARG  38  -3.587   0.109  -0.570
  283   2HD   ARG  38          1HD       ARG  38  -3.768   1.834  -0.249
  284    HE   ARG  38           HE       ARG  38  -4.235   2.173  -2.469
  285   1HH1  ARG  38          1HH1      ARG  38  -2.921  -1.034  -2.053
  286   2HH1  ARG  38          2HH1      ARG  38  -3.284  -1.528  -3.672
  287   1HH2  ARG  38          1HH2      ARG  38  -4.712   1.524  -4.599
  288   2HH2  ARG  38          2HH2      ARG  38  -4.300  -0.076  -5.118
  289    H    GLY  39           H        GLY  39   0.833   2.860   1.646
  290   1HA   GLY  39          2HA       GLY  39   0.253   4.051   4.000
  291   2HA   GLY  39          1HA       GLY  39   1.205   2.664   4.507
  292    H    CYS  40           H        CYS  40   2.200   5.032   5.179
  293    HA   CYS  40           HA       CYS  40   4.103   5.865   3.128
  294   1HB   CYS  40          2HB       CYS  40   2.825   7.137   5.382
  295   2HB   CYS  40          1HB       CYS  40   4.577   7.311   5.498
  296    H    GLY  41           H        GLY  41   6.017   4.911   3.011
  297   1HA   GLY  41          2HA       GLY  41   8.067   4.744   4.627
  298   2HA   GLY  41          1HA       GLY  41   7.057   3.505   5.367
  299    H    CYS  42           H        CYS  42   8.791   2.018   4.894
  300    HA   CYS  42           HA       CYS  42   8.384   0.690   2.380
  301   1HB   CYS  42          2HB       CYS  42  10.059   2.464   1.813
  302   2HB   CYS  42          1HB       CYS  42  11.161   1.730   2.981
  303    HA   PRO  43           HA       PRO  43   9.748  -1.942   5.988
  304   1HB   PRO  43          2HB       PRO  43   7.451  -3.231   6.478
  305   2HB   PRO  43          1HB       PRO  43   7.761  -1.612   7.130
  306   1HG   PRO  43          2HG       PRO  43   6.129  -2.423   4.753
  307   2HG   PRO  43          1HG       PRO  43   5.767  -1.213   6.002
  308   1HD   PRO  43          2HD       PRO  43   6.778  -0.613   3.515
  309   2HD   PRO  43          1HD       PRO  43   6.996   0.406   4.954
  310    H    LYS  44           H        LYS  44   9.078  -4.476   6.174
  311    HA   LYS  44           HA       LYS  44   9.587  -5.569   3.492
  312   1HB   LYS  44          2HB       LYS  44  10.975  -5.933   5.846
  313   2HB   LYS  44          1HB       LYS  44   9.979  -7.378   5.762
  314   1HG   LYS  44          2HG       LYS  44  10.925  -8.033   3.705
  315   2HG   LYS  44          1HG       LYS  44  11.673  -6.453   3.462
  316   1HD   LYS  44          2HD       LYS  44  13.467  -6.998   4.685
  317   2HD   LYS  44          1HD       LYS  44  12.483  -7.726   5.957
  318   1HE   LYS  44          2HE       LYS  44  12.177  -9.603   4.101
  319   2HE   LYS  44          1HE       LYS  44  13.729  -8.965   3.563
  320   1HZ   LYS  44          1HZ       LYS  44  14.429 -10.520   5.044
  321   2HZ   LYS  44          2HZ       LYS  44  13.058 -10.393   6.026
  322   3HZ   LYS  44          3HZ       LYS  44  14.269  -9.215   6.109
  323    H    VAL  45           H        VAL  45   8.949  -8.180   3.802
  324    HA   VAL  45           HA       VAL  45   6.267  -8.418   4.877
  325    HB   VAL  45           HB       VAL  45   5.403  -9.292   2.651
  326   1HG1  VAL  45          1HG1      VAL  45   4.765  -7.072   1.878
  327   2HG1  VAL  45          2HG1      VAL  45   6.046  -6.351   2.854
  328   3HG1  VAL  45          3HG1      VAL  45   4.691  -7.166   3.638
  329   1HG2  VAL  45          1HG2      VAL  45   6.565  -9.059   0.732
  330   2HG2  VAL  45          2HG2      VAL  45   7.959  -9.045   1.812
  331   3HG2  VAL  45          3HG2      VAL  45   7.281  -7.526   1.228
  332    H    LYS  46           H        LYS  46   5.382 -10.658   4.449
  333    HA   LYS  46           HA       LYS  46   7.389 -12.564   5.113
  334   1HB   LYS  46          2HB       LYS  46   4.445 -12.438   5.124
  335   2HB   LYS  46          1HB       LYS  46   5.124 -14.037   4.864
  336   1HG   LYS  46          2HG       LYS  46   6.497 -12.759   7.023
  337   2HG   LYS  46          1HG       LYS  46   4.757 -12.678   7.294
  338   1HD   LYS  46          2HD       LYS  46   4.896 -14.767   8.063
  339   2HD   LYS  46          1HD       LYS  46   5.177 -15.269   6.396
  340   1HE   LYS  46          2HE       LYS  46   7.345 -15.711   6.774
  341   2HE   LYS  46          1HE       LYS  46   7.565 -14.265   7.757
  342   1HZ   LYS  46          1HZ       LYS  46   7.083 -15.371   9.658
  343   2HZ   LYS  46          2HZ       LYS  46   7.677 -16.683   8.773
  344   3HZ   LYS  46          3HZ       LYS  46   6.010 -16.446   8.915
  345    HA   PRO  47           HA       PRO  47   7.802 -14.572   1.213
  346   1HB   PRO  47          2HB       PRO  47   7.517 -17.259   1.900
  347   2HB   PRO  47          1HB       PRO  47   8.989 -16.315   2.003
  348   1HG   PRO  47          2HG       PRO  47   7.406 -17.352   4.109
  349   2HG   PRO  47          1HG       PRO  47   8.940 -16.492   4.208
  350   1HD   PRO  47          2HD       PRO  47   6.272 -15.534   4.764
  351   2HD   PRO  47          1HD       PRO  47   7.834 -14.747   5.058
  352    H    GLY  48           H        GLY  48   6.176 -14.131  -0.158
  353   1HA   GLY  48          2HA       GLY  48   4.546 -15.644  -1.442
  354   2HA   GLY  48          1HA       GLY  48   3.666 -15.656   0.085
  355    H    VAL  49           H        VAL  49   3.921 -13.071   0.894
  356    HA   VAL  49           HA       VAL  49   2.036 -11.739  -0.818
  357    HB   VAL  49           HB       VAL  49   1.686 -11.562   1.534
  358   1HG1  VAL  49          1HG1      VAL  49   3.550 -10.118   2.775
  359   2HG1  VAL  49          2HG1      VAL  49   4.568 -10.936   1.590
  360   3HG1  VAL  49          3HG1      VAL  49   3.582 -11.879   2.708
  361   1HG2  VAL  49          1HG2      VAL  49   2.786  -8.846   0.958
  362   2HG2  VAL  49          2HG2      VAL  49   1.265  -9.303   1.724
  363   3HG2  VAL  49          3HG2      VAL  49   1.460  -9.472  -0.021
  364    H    ASN  50           H        ASN  50   2.378  -9.985  -2.103
  365    HA   ASN  50           HA       ASN  50   5.158  -9.311  -2.667
  366   1HB   ASN  50          2HB       ASN  50   2.740  -8.329  -4.168
  367   2HB   ASN  50          1HB       ASN  50   4.402  -8.435  -4.740
  368   1HD2  ASN  50          1HD2      ASN  50   1.681  -9.647  -5.509
  369   2HD2  ASN  50          2HD2      ASN  50   2.054 -11.321  -5.765
  370    H    LEU  51           H        LEU  51   5.863  -7.142  -2.887
  371    HA   LEU  51           HA       LEU  51   4.283  -4.962  -1.902
  372   1HB   LEU  51          2HB       LEU  51   4.820  -5.834   0.231
  373   2HB   LEU  51          1HB       LEU  51   6.474  -6.172  -0.237
  374    HG   LEU  51           HG       LEU  51   6.718  -3.610  -0.461
  375   1HD1  LEU  51          1HD1      LEU  51   4.471  -3.568   1.513
  376   2HD1  LEU  51          2HD1      LEU  51   4.162  -3.379  -0.213
  377   3HD1  LEU  51          3HD1      LEU  51   5.205  -2.231   0.627
  378   1HD2  LEU  51          1HD2      LEU  51   6.298  -4.342   2.374
  379   2HD2  LEU  51          2HD2      LEU  51   7.693  -3.607   1.584
  380   3HD2  LEU  51          3HD2      LEU  51   7.408  -5.343   1.438
  381    H    ASN  52           H        ASN  52   5.242  -2.930  -2.312
  382    HA   ASN  52           HA       ASN  52   7.956  -2.777  -3.255
  383   1HB   ASN  52          2HB       ASN  52   6.984  -1.643  -5.466
  384   2HB   ASN  52          1HB       ASN  52   7.375  -3.356  -5.377
  385   1HD2  ASN  52          1HD2      ASN  52   4.619  -1.294  -4.436
  386   2HD2  ASN  52          2HD2      ASN  52   3.431  -2.279  -5.197
  387    H    CYS  53           H        CYS  53   8.773  -0.900  -2.671
  388    HA   CYS  53           HA       CYS  53   7.040   1.235  -1.766
  389   1HB   CYS  53          2HB       CYS  53  10.053   1.266  -1.829
  390   2HB   CYS  53          1HB       CYS  53   8.967   2.141  -0.756
  391    H    CYS  54           H        CYS  54   7.402   3.459  -2.436
  392    HA   CYS  54           HA       CYS  54   8.813   4.016  -4.873
  393   1HB   CYS  54          2HB       CYS  54   6.603   4.875  -5.950
  394   2HB   CYS  54          1HB       CYS  54   7.008   3.162  -6.071
  395    H    ARG  55           H        ARG  55   8.701   6.198  -5.505
  396    HA   ARG  55           HA       ARG  55   8.010   7.963  -3.277
  397   1HB   ARG  55          2HB       ARG  55  10.122   8.957  -4.969
  398   2HB   ARG  55          1HB       ARG  55  10.106   8.670  -3.240
  399   1HG   ARG  55          2HG       ARG  55  10.434   6.174  -3.967
  400   2HG   ARG  55          1HG       ARG  55  11.066   6.927  -5.437
  401   1HD   ARG  55          2HD       ARG  55  12.971   7.474  -4.419
  402   2HD   ARG  55          1HD       ARG  55  12.111   8.206  -3.065
  403    HE   ARG  55           HE       ARG  55  11.976   5.435  -2.773
  404   1HH1  ARG  55          1HH1      ARG  55  14.382   7.963  -2.734
  405   2HH1  ARG  55          2HH1      ARG  55  15.426   7.124  -1.635
  406   1HH2  ARG  55          1HH2      ARG  55  13.347   4.330  -1.327
  407   2HH2  ARG  55          2HH2      ARG  55  14.838   5.061  -0.837
  408    H    THR  56           H        THR  56   6.153   7.470  -5.308
  409    HA   THR  56           HA       THR  56   6.144  10.074  -6.681
  410    HB   THR  56           HB       THR  56   4.702   7.858  -8.004
  411    HG1  THR  56           1HG      THR  56   7.526   8.008  -8.153
  412   1HG2  THR  56          1HG2      THR  56   4.829   9.203  -9.749
  413   2HG2  THR  56          2HG2      THR  56   6.589   9.255  -9.640
  414   3HG2  THR  56          3HG2      THR  56   5.613  10.400  -8.718
  415    H    ASP  57           H        ASP  57   4.059  10.992  -7.055
  416    HA   ASP  57           HA       ASP  57   2.266  10.663  -4.900
  417   1HB   ASP  57          2HB       ASP  57   2.266  12.234  -7.442
  418   2HB   ASP  57          1HB       ASP  57   0.753  12.075  -6.547
  419    H    ARG  58           H        ARG  58   0.647   9.272  -4.614
  420    HA   ARG  58           HA       ARG  58  -0.902   7.648  -4.997
  421   1HB   ARG  58          2HB       ARG  58  -0.982   8.930  -7.736
  422   2HB   ARG  58          1HB       ARG  58  -2.144   7.742  -7.149
  423   1HG   ARG  58          2HG       ARG  58  -2.781   9.287  -5.346
  424   2HG   ARG  58          1HG       ARG  58  -1.655  10.481  -5.995
  425   1HD   ARG  58          2HD       ARG  58  -2.905  10.671  -8.015
  426   2HD   ARG  58          1HD       ARG  58  -3.916   9.291  -7.588
  427    HE   ARG  58           HE       ARG  58  -4.380  11.009  -5.567
  428   1HH1  ARG  58          1HH1      ARG  58  -4.450  11.384  -9.036
  429   2HH1  ARG  58          2HH1      ARG  58  -5.669  12.613  -9.003
  430   1HH2  ARG  58          1HH2      ARG  58  -5.983  12.624  -5.522
  431   2HH2  ARG  58          2HH2      ARG  58  -6.539  13.317  -7.008
  432    H    CYS  59           H        CYS  59   1.925   7.139  -5.474
  433    HA   CYS  59           HA       CYS  59   2.224   5.477  -7.754
  434   1HB   CYS  59          2HB       CYS  59   4.386   4.999  -6.909
  435   2HB   CYS  59          1HB       CYS  59   4.058   6.682  -6.506
  436    H    ASN  60           H        ASN  60   0.774   4.984  -4.703
  437    HA   ASN  60           HA       ASN  60   1.026   2.060  -4.944
  438   1HB   ASN  60          2HB       ASN  60   0.295   1.985  -2.590
  439   2HB   ASN  60          1HB       ASN  60   1.742   2.975  -2.791
  440   1HD2  ASN  60          1HD2      ASN  60   1.001   3.745  -0.658
  441   2HD2  ASN  60          2HD2      ASN  60  -0.123   5.067  -0.617
  442    H    ASN  61           H        ASN  61  -0.776   3.747  -6.556
  443    HA   ASN  61           HA       ASN  61  -3.423   3.532  -5.592
  444   1HB   ASN  61          2HB       ASN  61  -4.073   4.077  -7.881
  445   2HB   ASN  61          1HB       ASN  61  -2.758   5.115  -7.351
  446   1HD2  ASN  61          1HD2      ASN  61  -1.169   5.375  -8.726
  447   2HD2  ASN  61          2HD2      ASN  61  -0.735   4.288 -10.009
  Start of MODEL   16
    1   1H    LEU   1          1HT       LEU   1   4.163  13.573   1.575
    2   2H    LEU   1          2HT       LEU   1   3.180  14.936   1.228
    3   3H    LEU   1          3HT       LEU   1   4.708  14.761   0.467
    4    HA   LEU   1           HA       LEU   1   3.216  14.156  -1.134
    5   1HB   LEU   1          2HB       LEU   1   4.972  12.316   0.047
    6   2HB   LEU   1          1HB       LEU   1   3.516  11.403  -0.294
    7    HG   LEU   1           HG       LEU   1   4.540  13.110  -2.489
    8   1HD1  LEU   1          1HD1      LEU   1   6.392  11.881  -3.020
    9   2HD1  LEU   1          2HD1      LEU   1   5.838  10.458  -2.139
   10   3HD1  LEU   1          3HD1      LEU   1   6.488  11.841  -1.260
   11   1HD2  LEU   1          1HD2      LEU   1   3.506  11.577  -3.831
   12   2HD2  LEU   1          2HD2      LEU   1   2.531  11.409  -2.372
   13   3HD2  LEU   1          3HD2      LEU   1   3.802  10.239  -2.722
   14    H    GLU   2           H        GLU   2   1.347  12.931  -1.841
   15    HA   GLU   2           HA       GLU   2  -0.566  12.424   0.343
   16   1HB   GLU   2          2HB       GLU   2  -1.092  14.462  -0.965
   17   2HB   GLU   2          1HB       GLU   2  -1.179  13.482  -2.422
   18   1HG   GLU   2          2HG       GLU   2  -3.021  12.190  -1.368
   19   2HG   GLU   2          1HG       GLU   2  -2.985  13.329  -0.023
   20    H    CYS   3           H        CYS   3   0.409  10.213   0.154
   21    HA   CYS   3           HA       CYS   3  -0.222   8.667  -2.182
   22   1HB   CYS   3          2HB       CYS   3   0.768   7.848   0.557
   23   2HB   CYS   3          1HB       CYS   3   0.647   6.781  -0.838
   24    H    HIS   4           H        HIS   4  -1.187   6.328  -1.402
   25    HA   HIS   4           HA       HIS   4  -3.893   6.985  -0.500
   26   1HB   HIS   4          2HB       HIS   4  -2.741   4.634  -2.004
   27   2HB   HIS   4          1HB       HIS   4  -4.387   4.636  -1.366
   28    HD1  HIS   4           1HD      HIS   4  -5.815   6.873  -2.244
   29    HD2  HIS   4           2HD      HIS   4  -2.618   5.544  -4.541
   30    HE1  HIS   4           1HE      HIS   4  -6.183   7.847  -4.531
   31    HE2  HIS   4           2HE      HIS   4  -4.309   6.918  -5.936
   32    H    ASN   5           H        ASN   5  -4.933   4.878   0.603
   33    HA   ASN   5           HA       ASN   5  -3.321   3.339   2.322
   34   1HB   ASN   5          2HB       ASN   5  -3.913   4.436   4.483
   35   2HB   ASN   5          1HB       ASN   5  -2.839   5.407   3.472
   36   1HD2  ASN   5          1HD2      ASN   5  -4.853   6.040   5.617
   37   2HD2  ASN   5          2HD2      ASN   5  -5.852   7.274   4.912
   38    H    GLN   6           H        GLN   6  -5.601   3.001   0.623
   39    HA   GLN   6           HA       GLN   6  -7.495   1.941   2.608
   40   1HB   GLN   6          2HB       GLN   6  -9.318   2.416   0.916
   41   2HB   GLN   6          1HB       GLN   6  -8.633   3.819   1.723
   42   1HG   GLN   6          2HG       GLN   6  -8.634   4.601  -0.396
   43   2HG   GLN   6          1HG       GLN   6  -7.060   3.808  -0.409
   44   1HE2  GLN   6          1HE2      GLN   6  -7.069   3.458  -2.606
   45   2HE2  GLN   6          2HE2      GLN   6  -8.117   2.303  -3.369
   46    H    GLN   7           H        GLN   7  -7.624  -0.189   2.470
   47    HA   GLN   7           HA       GLN   7  -6.612  -1.606   0.188
   48   1HB   GLN   7          2HB       GLN   7  -6.942  -3.572   1.520
   49   2HB   GLN   7          1HB       GLN   7  -6.277  -2.328   2.560
   50   1HG   GLN   7          2HG       GLN   7  -8.601  -1.856   3.341
   51   2HG   GLN   7          1HG       GLN   7  -9.129  -3.270   2.430
   52   1HE2  GLN   7          1HE2      GLN   7  -9.375  -2.880   5.235
   53   2HE2  GLN   7          2HE2      GLN   7  -8.442  -4.120   6.017
   54    H    SER   8           H        SER   8  -8.452  -3.852   0.330
   55    HA   SER   8           HA       SER   8 -10.199  -3.287  -1.704
   56   1HB   SER   8          2HB       SER   8 -11.469  -5.289  -1.023
   57   2HB   SER   8          1HB       SER   8  -9.724  -5.575  -0.984
   58    HG   SER   8           HG       SER   8 -11.559  -5.552   1.068
   59    H    SER   9           H        SER   9 -11.760  -1.859  -1.839
   60    HA   SER   9           HA       SER   9 -14.123  -1.727  -0.590
   61   1HB   SER   9          2HB       SER   9 -12.031  -0.525   1.150
   62   2HB   SER   9          1HB       SER   9 -13.535   0.381   0.987
   63    HG   SER   9           HG       SER   9 -13.965  -0.971   2.614
   64    H    GLN  10           H        GLN  10 -15.098  -0.676  -2.181
   65    HA   GLN  10           HA       GLN  10 -13.995   1.041  -4.009
   66   1HB   GLN  10          2HB       GLN  10 -16.765   0.536  -3.071
   67   2HB   GLN  10          1HB       GLN  10 -16.494   1.958  -4.072
   68   1HG   GLN  10          2HG       GLN  10 -15.231  -0.455  -5.103
   69   2HG   GLN  10          1HG       GLN  10 -16.987  -0.569  -4.978
   70   1HE2  GLN  10          1HE2      GLN  10 -18.271   0.697  -6.274
   71   2HE2  GLN  10          2HE2      GLN  10 -17.648   1.614  -7.610
   72    H    ALA  11           H        ALA  11 -15.063   3.386  -4.301
   73    HA   ALA  11           HA       ALA  11 -14.879   5.579  -3.719
   74   1HB   ALA  11          1HB       ALA  11 -16.644   5.616  -2.301
   75   2HB   ALA  11          2HB       ALA  11 -15.383   5.890  -1.100
   76   3HB   ALA  11          3HB       ALA  11 -16.037   4.269  -1.338
   77    HA   PRO  12           HA       PRO  12 -10.480   4.530  -2.291
   78   1HB   PRO  12          2HB       PRO  12 -10.228   6.621  -4.425
   79   2HB   PRO  12          1HB       PRO  12  -9.161   5.256  -4.057
   80   1HG   PRO  12          2HG       PRO  12 -10.824   5.039  -6.076
   81   2HG   PRO  12          1HG       PRO  12 -10.665   3.689  -4.926
   82   1HD   PRO  12          2HD       PRO  12 -12.846   5.734  -5.152
   83   2HD   PRO  12          1HD       PRO  12 -12.965   3.991  -4.819
   84    H    THR  13           H        THR  13  -8.802   6.164  -1.589
   85    HA   THR  13           HA       THR  13  -9.848   8.773  -0.845
   86    HB   THR  13           HB       THR  13  -8.613   7.228   1.382
   87    HG1  THR  13           1HG      THR  13 -10.516   6.245   1.895
   88   1HG2  THR  13          1HG2      THR  13 -10.847   8.553   2.297
   89   2HG2  THR  13          2HG2      THR  13 -10.190   9.633   1.067
   90   3HG2  THR  13          3HG2      THR  13  -9.177   9.107   2.412
   91    H    THR  14           H        THR  14  -8.073   9.989   0.457
   92    HA   THR  14           HA       THR  14  -5.392   9.196  -0.420
   93    HB   THR  14           HB       THR  14  -4.905  11.421  -1.271
   94    HG1  THR  14           1HG      THR  14  -6.568  12.962  -1.411
   95   1HG2  THR  14          1HG2      THR  14  -6.498  11.570  -3.183
   96   2HG2  THR  14          2HG2      THR  14  -7.402  10.243  -2.452
   97   3HG2  THR  14          3HG2      THR  14  -5.736   9.993  -2.971
   98    H    LYS  15           H        LYS  15  -3.789   9.689   0.989
   99    HA   LYS  15           HA       LYS  15  -4.372  11.503   3.214
  100   1HB   LYS  15          2HB       LYS  15  -4.752   8.949   3.702
  101   2HB   LYS  15          1HB       LYS  15  -2.997   8.910   3.802
  102   1HG   LYS  15          2HG       LYS  15  -3.306  10.901   5.441
  103   2HG   LYS  15          1HG       LYS  15  -4.962  10.302   5.563
  104   1HD   LYS  15          2HD       LYS  15  -4.124   8.103   6.222
  105   2HD   LYS  15          1HD       LYS  15  -2.465   8.687   6.079
  106   1HE   LYS  15          2HE       LYS  15  -4.508   9.897   7.932
  107   2HE   LYS  15          1HE       LYS  15  -3.384   8.628   8.415
  108   1HZ   LYS  15          1HZ       LYS  15  -2.680  10.964   8.929
  109   2HZ   LYS  15          2HZ       LYS  15  -2.491  11.208   7.266
  110   3HZ   LYS  15          3HZ       LYS  15  -1.552  10.047   8.060
  111    H    THR  16           H        THR  16  -2.493  12.316   4.289
  112    HA   THR  16           HA       THR  16  -0.052  12.095   2.653
  113    HB   THR  16           HB       THR  16  -1.087  14.322   2.561
  114    HG1  THR  16           1HG      THR  16   1.296  14.315   4.098
  115   1HG2  THR  16          1HG2      THR  16  -0.556  14.506   5.514
  116   2HG2  THR  16          2HG2      THR  16  -2.151  14.318   4.786
  117   3HG2  THR  16          3HG2      THR  16  -1.202  15.768   4.467
  118    H    CYS  17           H        CYS  17   1.985  12.224   3.751
  119    HA   CYS  17           HA       CYS  17   1.838  11.157   6.487
  120   1HB   CYS  17          2HB       CYS  17   4.229  11.031   4.648
  121   2HB   CYS  17          1HB       CYS  17   3.922  10.075   6.101
  122    H    SER  18           H        SER  18   3.511  11.814   8.007
  123    HA   SER  18           HA       SER  18   4.428  14.571   7.521
  124   1HB   SER  18          2HB       SER  18   4.361  14.372  10.247
  125   2HB   SER  18          1HB       SER  18   3.063  15.047   9.263
  126    HG   SER  18           HG       SER  18   3.284  12.365  10.168
  127    H    GLY  19           H        GLY  19   6.527  14.324   6.983
  128   1HA   GLY  19          2HA       GLY  19   8.763  14.279   7.845
  129   2HA   GLY  19          1HA       GLY  19   8.253  13.042   8.992
  130    H    GLU  20           H        GLU  20   6.789  11.586   6.842
  131    HA   GLU  20           HA       GLU  20   8.833   9.799   6.112
  132   1HB   GLU  20          2HB       GLU  20   5.968  10.159   5.294
  133   2HB   GLU  20          1HB       GLU  20   6.983   8.979   4.469
  134   1HG   GLU  20          2HG       GLU  20   6.870   8.948   7.441
  135   2HG   GLU  20          1HG       GLU  20   5.509   8.305   6.524
  136    H    THR  21           H        THR  21   8.746   9.105   3.572
  137    HA   THR  21           HA       THR  21   8.979  11.429   1.852
  138    HB   THR  21           HB       THR  21  11.357   9.619   1.929
  139    HG1  THR  21           1HG      THR  21  12.312  10.999   3.449
  140   1HG2  THR  21          1HG2      THR  21  10.895  12.475   1.140
  141   2HG2  THR  21          2HG2      THR  21  11.425  11.129   0.131
  142   3HG2  THR  21          3HG2      THR  21  12.505  11.790   1.359
  143    H    ASN  22           H        ASN  22   9.504   7.941   2.160
  144    HA   ASN  22           HA       ASN  22   8.623   7.621  -0.630
  145   1HB   ASN  22          2HB       ASN  22   9.796   5.343   0.901
  146   2HB   ASN  22          1HB       ASN  22   9.914   5.722  -0.819
  147   1HD2  ASN  22          1HD2      ASN  22  11.980   5.016   1.118
  148   2HD2  ASN  22          2HD2      ASN  22  13.128   6.317   1.084
  149    H    CYS  23           H        CYS  23   7.059   6.068  -1.160
  150    HA   CYS  23           HA       CYS  23   5.373   5.189   1.081
  151   1HB   CYS  23          2HB       CYS  23   4.715   6.315  -1.616
  152   2HB   CYS  23          1HB       CYS  23   3.590   5.203  -0.842
  153    H    TYR  24           H        TYR  24   3.793   3.348   0.037
  154    HA   TYR  24           HA       TYR  24   5.164   1.610  -1.791
  155   1HB   TYR  24          2HB       TYR  24   5.476  -0.266  -0.248
  156   2HB   TYR  24          1HB       TYR  24   6.428   1.134   0.246
  157    HD1  TYR  24           1HD      TYR  24   5.619   2.535   2.170
  158    HD2  TYR  24           2HD      TYR  24   3.847  -1.204   1.182
  159    HE1  TYR  24           1HE      TYR  24   4.615   2.426   4.411
  160    HE2  TYR  24           2HE      TYR  24   2.838  -1.323   3.422
  161    HH   TYR  24           HH       TYR  24   2.147   0.474   5.227
  162    H    LYS  25           H        LYS  25   4.074  -0.671  -1.652
  163    HA   LYS  25           HA       LYS  25   1.286  -0.674  -0.943
  164   1HB   LYS  25          2HB       LYS  25   1.633   0.489  -3.296
  165   2HB   LYS  25          1HB       LYS  25   1.791  -1.176  -3.847
  166   1HG   LYS  25          2HG       LYS  25  -0.477  -1.140  -2.218
  167   2HG   LYS  25          1HG       LYS  25  -0.574   0.318  -3.206
  168   1HD   LYS  25          2HD       LYS  25   0.013  -2.395  -4.368
  169   2HD   LYS  25          1HD       LYS  25  -1.630  -1.779  -4.172
  170   1HE   LYS  25          2HE       LYS  25  -1.340  -0.920  -6.221
  171   2HE   LYS  25          1HE       LYS  25  -0.390   0.318  -5.400
  172   1HZ   LYS  25          1HZ       LYS  25   1.197  -0.325  -6.823
  173   2HZ   LYS  25          2HZ       LYS  25   0.476  -1.821  -7.141
  174   3HZ   LYS  25          3HZ       LYS  25   1.428  -1.619  -5.758
  175    H    LYS  26           H        LYS  26   0.797  -2.693  -0.343
  176    HA   LYS  26           HA       LYS  26   2.424  -4.879  -1.462
  177   1HB   LYS  26          2HB       LYS  26   2.014  -6.043   0.744
  178   2HB   LYS  26          1HB       LYS  26   3.107  -4.679   0.772
  179   1HG   LYS  26          2HG       LYS  26   0.593  -3.601   1.306
  180   2HG   LYS  26          1HG       LYS  26   0.676  -5.099   2.232
  181   1HD   LYS  26          2HD       LYS  26   3.024  -3.272   2.292
  182   2HD   LYS  26          1HD       LYS  26   1.584  -2.815   3.204
  183   1HE   LYS  26          2HE       LYS  26   3.348  -4.155   4.448
  184   2HE   LYS  26          1HE       LYS  26   1.689  -4.744   4.545
  185   1HZ   LYS  26          1HZ       LYS  26   3.778  -5.791   2.712
  186   2HZ   LYS  26          2HZ       LYS  26   2.195  -6.370   2.844
  187   3HZ   LYS  26          3HZ       LYS  26   3.266  -6.537   4.142
  188    H    TRP  27           H        TRP  27   1.454  -6.975  -1.429
  189    HA   TRP  27           HA       TRP  27  -1.367  -7.228  -1.062
  190   1HB   TRP  27          2HB       TRP  27  -1.806  -7.969  -3.434
  191   2HB   TRP  27          1HB       TRP  27  -1.595  -6.257  -3.201
  192    HD1  TRP  27           HD       TRP  27  -0.250  -9.152  -5.007
  193    HE1  TRP  27           1HE      TRP  27   1.644  -8.425  -6.569
  194    HE3  TRP  27           3HE      TRP  27   0.402  -4.376  -3.328
  195    HZ2  TRP  27           2HZ      TRP  27   3.224  -6.135  -7.041
  196    HZ3  TRP  27           3HZ      TRP  27   2.122  -2.986  -4.387
  197    HH2  TRP  27           HH       TRP  27   3.504  -3.843  -6.207
  198    H    TRP  28           H        TRP  28  -2.139  -9.339  -1.302
  199    HA   TRP  28           HA       TRP  28  -0.255 -11.468  -1.883
  200   1HB   TRP  28          2HB       TRP  28  -0.548 -12.518   0.352
  201   2HB   TRP  28          1HB       TRP  28   0.265 -10.959   0.451
  202    HD1  TRP  28           HD       TRP  28  -2.897 -12.719   1.463
  203    HE1  TRP  28           1HE      TRP  28  -4.221 -11.187   3.007
  204    HE3  TRP  28           3HE      TRP  28  -0.172  -8.424   0.951
  205    HZ2  TRP  28           2HZ      TRP  28  -4.158  -8.531   3.940
  206    HZ3  TRP  28           3HZ      TRP  28  -0.870  -6.432   2.213
  207    HH2  TRP  28           HH       TRP  28  -2.826  -6.487   3.677
  208    H    SER  29           H        SER  29  -1.590 -13.612  -0.877
  209    HA   SER  29           HA       SER  29  -4.409 -13.362  -1.548
  210   1HB   SER  29          2HB       SER  29  -2.565 -15.239  -3.050
  211   2HB   SER  29          1HB       SER  29  -4.326 -15.196  -3.197
  212    HG   SER  29           HG       SER  29  -2.648 -13.830  -4.609
  213    H    ASP  30           H        ASP  30  -5.702 -14.993  -0.660
  214    HA   ASP  30           HA       ASP  30  -4.498 -17.300   0.561
  215   1HB   ASP  30          2HB       ASP  30  -3.918 -15.664   2.254
  216   2HB   ASP  30          1HB       ASP  30  -5.591 -15.108   2.338
  217    H    HIS  31           H        HIS  31  -7.335 -15.756   1.961
  218    HA   HIS  31           HA       HIS  31  -8.971 -17.887   0.758
  219   1HB   HIS  31          2HB       HIS  31 -10.436 -17.680   2.709
  220   2HB   HIS  31          1HB       HIS  31  -8.781 -18.019   3.202
  221    HD1  HIS  31           1HD      HIS  31  -7.396 -15.802   3.996
  222    HD2  HIS  31           2HD      HIS  31 -11.542 -15.527   3.936
  223    HE1  HIS  31           1HE      HIS  31  -7.960 -13.821   5.439
  224    HE2  HIS  31           2HE      HIS  31 -10.478 -13.727   5.458
  225    H    ARG  32           H        ARG  32  -8.822 -14.447   1.471
  226    HA   ARG  32           HA       ARG  32 -11.402 -13.990   0.198
  227   1HB   ARG  32          2HB       ARG  32  -9.644 -12.501   2.008
  228   2HB   ARG  32          1HB       ARG  32 -10.343 -11.502   0.734
  229   1HG   ARG  32          2HG       ARG  32 -12.577 -12.197   1.390
  230   2HG   ARG  32          1HG       ARG  32 -11.898 -13.250   2.633
  231   1HD   ARG  32          2HD       ARG  32 -10.820 -10.625   2.950
  232   2HD   ARG  32          1HD       ARG  32 -12.576 -10.512   2.831
  233    HE   ARG  32           HE       ARG  32 -11.049 -11.660   4.980
  234   1HH1  ARG  32          1HH1      ARG  32 -14.144 -11.620   3.367
  235   2HH1  ARG  32          2HH1      ARG  32 -15.015 -12.181   4.754
  236   1HH2  ARG  32          1HH2      ARG  32 -12.193 -12.401   6.806
  237   2HH2  ARG  32          2HH2      ARG  32 -13.909 -12.625   6.706
  238    H    GLY  33           H        GLY  33  -9.137 -14.999  -1.369
  239   1HA   GLY  33          2HA       GLY  33  -8.536 -14.686  -3.585
  240   2HA   GLY  33          1HA       GLY  33  -9.341 -13.117  -3.547
  241    H    THR  34           H        THR  34  -8.038 -11.446  -3.792
  242    HA   THR  34           HA       THR  34  -5.298 -11.634  -2.739
  243    HB   THR  34           HB       THR  34  -6.136 -10.287  -5.311
  244    HG1  THR  34           1HG      THR  34  -5.894 -12.195  -6.111
  245   1HG2  THR  34          1HG2      THR  34  -3.310 -10.894  -4.835
  246   2HG2  THR  34          2HG2      THR  34  -3.984  -9.613  -3.828
  247   3HG2  THR  34          3HG2      THR  34  -4.066  -9.488  -5.585
  248    H    ILE  35           H        ILE  35  -4.962 -10.181  -1.199
  249    HA   ILE  35           HA       ILE  35  -6.622  -7.763  -1.124
  250    HB   ILE  35           HB       ILE  35  -4.783  -8.781   1.041
  251   1HG1  ILE  35          2HG1      ILE  35  -7.762  -9.236   0.752
  252   2HG1  ILE  35          1HG1      ILE  35  -6.525 -10.458   0.471
  253   1HG2  ILE  35          1HG2      ILE  35  -5.215  -6.656   1.699
  254   2HG2  ILE  35          2HG2      ILE  35  -6.681  -7.413   2.324
  255   3HG2  ILE  35          3HG2      ILE  35  -6.718  -6.559   0.781
  256   1HD1  ILE  35          1HD1      ILE  35  -5.924  -9.564   2.989
  257   2HD1  ILE  35          2HD1      ILE  35  -6.844 -11.017   2.598
  258   3HD1  ILE  35          3HD1      ILE  35  -7.687  -9.510   2.960
  259    H    ILE  36           H        ILE  36  -5.681  -5.696  -0.755
  260    HA   ILE  36           HA       ILE  36  -2.792  -5.471  -1.175
  261    HB   ILE  36           HB       ILE  36  -2.980  -3.869  -2.943
  262   1HG1  ILE  36          2HG1      ILE  36  -5.977  -4.138  -2.610
  263   2HG1  ILE  36          1HG1      ILE  36  -5.008  -2.711  -2.257
  264   1HG2  ILE  36          1HG2      ILE  36  -3.270  -5.376  -4.578
  265   2HG2  ILE  36          2HG2      ILE  36  -4.912  -5.766  -4.066
  266   3HG2  ILE  36          3HG2      ILE  36  -3.536  -6.510  -3.254
  267   1HD1  ILE  36          1HD1      ILE  36  -5.581  -2.034  -4.294
  268   2HD1  ILE  36          2HD1      ILE  36  -6.112  -3.645  -4.776
  269   3HD1  ILE  36          3HD1      ILE  36  -4.406  -3.211  -4.881
  270    H    GLU  37           H        GLU  37  -1.892  -3.937   0.123
  271    HA   GLU  37           HA       GLU  37  -3.670  -1.855   1.197
  272   1HB   GLU  37          2HB       GLU  37  -1.835  -2.183   3.196
  273   2HB   GLU  37          1HB       GLU  37  -3.461  -2.865   3.190
  274   1HG   GLU  37          2HG       GLU  37  -2.700  -4.965   2.553
  275   2HG   GLU  37          1HG       GLU  37  -1.149  -4.344   2.000
  276    H    ARG  38           H        ARG  38  -2.432   0.013   2.129
  277    HA   ARG  38           HA       ARG  38   0.070   0.479   0.646
  278   1HB   ARG  38          2HB       ARG  38  -2.293   2.329   0.955
  279   2HB   ARG  38          1HB       ARG  38  -0.708   2.882   0.435
  280   1HG   ARG  38          2HG       ARG  38  -1.651   2.555  -1.596
  281   2HG   ARG  38          1HG       ARG  38  -1.021   0.928  -1.329
  282   1HD   ARG  38          2HD       ARG  38  -3.069   0.043  -1.256
  283   2HD   ARG  38          1HD       ARG  38  -3.658   1.300  -0.169
  284    HE   ARG  38           HE       ARG  38  -3.554   2.571  -2.543
  285   1HH1  ARG  38          1HH1      ARG  38  -4.969  -0.463  -1.552
  286   2HH1  ARG  38          2HH1      ARG  38  -6.240  -0.396  -2.725
  287   1HH2  ARG  38          1HH2      ARG  38  -5.226   2.659  -4.086
  288   2HH2  ARG  38          2HH2      ARG  38  -6.386   1.375  -4.163
  289    H    GLY  39           H        GLY  39   1.060   2.676   1.529
  290   1HA   GLY  39          2HA       GLY  39   0.664   3.506   4.152
  291   2HA   GLY  39          1HA       GLY  39   1.798   2.166   4.218
  292    H    CYS  40           H        CYS  40   3.060   4.065   5.169
  293    HA   CYS  40           HA       CYS  40   4.472   5.457   2.988
  294   1HB   CYS  40          2HB       CYS  40   3.129   6.591   5.159
  295   2HB   CYS  40          1HB       CYS  40   4.837   6.682   5.597
  296    H    GLY  41           H        GLY  41   6.296   4.348   2.643
  297   1HA   GLY  41          2HA       GLY  41   8.562   4.416   4.011
  298   2HA   GLY  41          1HA       GLY  41   7.718   3.143   4.891
  299    H    CYS  42           H        CYS  42   9.525   1.792   4.229
  300    HA   CYS  42           HA       CYS  42   8.888   0.328   1.842
  301   1HB   CYS  42          2HB       CYS  42  10.305   2.195   0.976
  302   2HB   CYS  42          1HB       CYS  42  11.617   1.629   2.012
  303    HA   PRO  43           HA       PRO  43  11.054  -1.949   5.337
  304   1HB   PRO  43          2HB       PRO  43   8.967  -3.183   6.476
  305   2HB   PRO  43          1HB       PRO  43   9.391  -1.513   6.888
  306   1HG   PRO  43          2HG       PRO  43   7.256  -2.531   5.050
  307   2HG   PRO  43          1HG       PRO  43   7.177  -1.216   6.243
  308   1HD   PRO  43          2HD       PRO  43   7.552  -0.834   3.546
  309   2HD   PRO  43          1HD       PRO  43   8.092   0.306   4.800
  310    H    LYS  44           H        LYS  44  10.382  -4.463   5.922
  311    HA   LYS  44           HA       LYS  44  10.551  -5.809   3.334
  312   1HB   LYS  44          2HB       LYS  44  11.535  -6.333   6.049
  313   2HB   LYS  44          1HB       LYS  44  10.903  -7.759   5.238
  314   1HG   LYS  44          2HG       LYS  44  13.040  -7.887   4.519
  315   2HG   LYS  44          1HG       LYS  44  12.416  -6.818   3.262
  316   1HD   LYS  44          2HD       LYS  44  14.468  -5.887   4.055
  317   2HD   LYS  44          1HD       LYS  44  13.152  -4.878   4.660
  318   1HE   LYS  44          2HE       LYS  44  14.203  -5.101   6.635
  319   2HE   LYS  44          1HE       LYS  44  13.397  -6.668   6.679
  320   1HZ   LYS  44          1HZ       LYS  44  15.314  -7.765   6.316
  321   2HZ   LYS  44          2HZ       LYS  44  16.013  -6.371   6.967
  322   3HZ   LYS  44          3HZ       LYS  44  15.948  -6.579   5.290
  323    H    VAL  45           H        VAL  45   9.645  -8.294   3.802
  324    HA   VAL  45           HA       VAL  45   6.989  -8.195   4.962
  325    HB   VAL  45           HB       VAL  45   5.928  -9.056   2.855
  326   1HG1  VAL  45          1HG1      VAL  45   5.310  -6.953   2.191
  327   2HG1  VAL  45          2HG1      VAL  45   6.957  -6.325   2.270
  328   3HG1  VAL  45          3HG1      VAL  45   6.040  -6.586   3.754
  329   1HG2  VAL  45          1HG2      VAL  45   7.458  -9.729   1.334
  330   2HG2  VAL  45          2HG2      VAL  45   8.666  -8.561   1.870
  331   3HG2  VAL  45          3HG2      VAL  45   7.353  -8.049   0.809
  332    H    LYS  46           H        LYS  46   5.866 -10.382   4.623
  333    HA   LYS  46           HA       LYS  46   7.684 -12.418   5.412
  334   1HB   LYS  46          2HB       LYS  46   4.793 -12.931   4.850
  335   2HB   LYS  46          1HB       LYS  46   5.820 -13.623   6.092
  336   1HG   LYS  46          2HG       LYS  46   5.850 -11.092   6.915
  337   2HG   LYS  46          1HG       LYS  46   4.287 -11.102   6.093
  338   1HD   LYS  46          2HD       LYS  46   3.583 -13.014   7.434
  339   2HD   LYS  46          1HD       LYS  46   5.156 -13.046   8.234
  340   1HE   LYS  46          2HE       LYS  46   4.750 -11.033   9.358
  341   2HE   LYS  46          1HE       LYS  46   3.425 -10.595   8.281
  342   1HZ   LYS  46          1HZ       LYS  46   2.433 -12.810   9.280
  343   2HZ   LYS  46          2HZ       LYS  46   2.242 -11.320  10.057
  344   3HZ   LYS  46          3HZ       LYS  46   3.436 -12.400  10.578
  345    HA   PRO  47           HA       PRO  47   7.864 -14.659   1.607
  346   1HB   PRO  47          2HB       PRO  47   7.483 -17.270   2.427
  347   2HB   PRO  47          1HB       PRO  47   8.979 -16.372   2.579
  348   1HG   PRO  47          2HG       PRO  47   7.212 -17.252   4.624
  349   2HG   PRO  47          1HG       PRO  47   8.794 -16.496   4.786
  350   1HD   PRO  47          2HD       PRO  47   6.165 -15.329   5.127
  351   2HD   PRO  47          1HD       PRO  47   7.758 -14.648   5.513
  352    H    GLY  48           H        GLY  48   6.167 -14.107   0.311
  353   1HA   GLY  48          2HA       GLY  48   4.473 -15.638  -0.900
  354   2HA   GLY  48          1HA       GLY  48   3.630 -15.559   0.645
  355    H    VAL  49           H        VAL  49   3.943 -12.968   1.354
  356    HA   VAL  49           HA       VAL  49   2.086 -11.648  -0.399
  357    HB   VAL  49           HB       VAL  49   1.748 -11.397   1.951
  358   1HG1  VAL  49          1HG1      VAL  49   3.770 -11.777   2.985
  359   2HG1  VAL  49          2HG1      VAL  49   3.524 -10.053   3.262
  360   3HG1  VAL  49          3HG1      VAL  49   4.622 -10.594   1.992
  361   1HG2  VAL  49          1HG2      VAL  49   1.455  -9.384   0.370
  362   2HG2  VAL  49          2HG2      VAL  49   2.879  -8.730   1.179
  363   3HG2  VAL  49          3HG2      VAL  49   1.425  -9.094   2.108
  364    H    ASN  50           H        ASN  50   2.502 -10.095  -1.857
  365    HA   ASN  50           HA       ASN  50   5.275  -9.442  -2.410
  366   1HB   ASN  50          2HB       ASN  50   2.852  -8.492  -3.941
  367   2HB   ASN  50          1HB       ASN  50   4.519  -8.615  -4.512
  368   1HD2  ASN  50          1HD2      ASN  50   1.596 -10.339  -3.779
  369   2HD2  ASN  50          2HD2      ASN  50   2.041 -11.829  -4.550
  370    H    LEU  51           H        LEU  51   5.941  -7.232  -2.864
  371    HA   LEU  51           HA       LEU  51   4.390  -5.062  -1.770
  372   1HB   LEU  51          2HB       LEU  51   5.324  -5.875   0.273
  373   2HB   LEU  51          1HB       LEU  51   6.910  -6.057  -0.449
  374    HG   LEU  51           HG       LEU  51   6.823  -3.484  -0.751
  375   1HD1  LEU  51          1HD1      LEU  51   4.856  -3.767   1.507
  376   2HD1  LEU  51          2HD1      LEU  51   4.395  -3.377  -0.150
  377   3HD1  LEU  51          3HD1      LEU  51   5.437  -2.279   0.757
  378   1HD2  LEU  51          1HD2      LEU  51   8.081  -5.034   0.969
  379   2HD2  LEU  51          2HD2      LEU  51   6.994  -4.250   2.116
  380   3HD2  LEU  51          3HD2      LEU  51   8.092  -3.278   1.136
  381    H    ASN  52           H        ASN  52   5.227  -3.000  -2.367
  382    HA   ASN  52           HA       ASN  52   7.714  -2.851  -3.819
  383   1HB   ASN  52          2HB       ASN  52   6.953  -2.550  -5.956
  384   2HB   ASN  52          1HB       ASN  52   5.704  -3.642  -5.371
  385   1HD2  ASN  52          1HD2      ASN  52   3.925  -2.263  -4.111
  386   2HD2  ASN  52          2HD2      ASN  52   3.289  -0.958  -5.048
  387    H    CYS  53           H        CYS  53   8.647  -0.986  -3.339
  388    HA   CYS  53           HA       CYS  53   7.078   1.144  -2.150
  389   1HB   CYS  53          2HB       CYS  53  10.055   1.207  -2.539
  390   2HB   CYS  53          1HB       CYS  53   9.081   1.944  -1.273
  391    H    CYS  54           H        CYS  54   7.299   3.346  -2.821
  392    HA   CYS  54           HA       CYS  54   8.532   4.014  -5.325
  393   1HB   CYS  54          2HB       CYS  54   6.261   4.843  -6.257
  394   2HB   CYS  54          1HB       CYS  54   6.669   3.135  -6.424
  395    H    ARG  55           H        ARG  55   8.360   6.193  -5.870
  396    HA   ARG  55           HA       ARG  55   7.751   7.894  -3.567
  397   1HB   ARG  55          2HB       ARG  55   9.716   9.021  -5.317
  398   2HB   ARG  55          1HB       ARG  55   9.847   8.602  -3.619
  399   1HG   ARG  55          2HG       ARG  55  10.525   6.366  -4.177
  400   2HG   ARG  55          1HG       ARG  55  10.267   6.686  -5.895
  401   1HD   ARG  55          2HD       ARG  55  12.195   8.267  -4.211
  402   2HD   ARG  55          1HD       ARG  55  12.660   6.795  -5.068
  403    HE   ARG  55           HE       ARG  55  11.432   8.424  -6.923
  404   1HH1  ARG  55          1HH1      ARG  55  14.248   8.572  -4.868
  405   2HH1  ARG  55          2HH1      ARG  55  15.141   9.587  -5.951
  406   1HH2  ARG  55          1HH2      ARG  55  12.605   9.760  -8.351
  407   2HH2  ARG  55          2HH2      ARG  55  14.208  10.262  -7.927
  408    H    THR  56           H        THR  56   5.824   7.366  -5.557
  409    HA   THR  56           HA       THR  56   5.679   9.991  -6.886
  410    HB   THR  56           HB       THR  56   4.088   7.890  -8.150
  411    HG1  THR  56           1HG      THR  56   6.914   7.679  -8.247
  412   1HG2  THR  56          1HG2      THR  56   6.258   9.288  -9.582
  413   2HG2  THR  56          2HG2      THR  56   4.929  10.270  -8.966
  414   3HG2  THR  56          3HG2      THR  56   4.601   8.942 -10.078
  415    H    ASP  57           H        ASP  57   3.647  10.989  -6.980
  416    HA   ASP  57           HA       ASP  57   2.002  10.659  -4.748
  417   1HB   ASP  57          2HB       ASP  57   1.168  11.966  -7.339
  418   2HB   ASP  57          1HB       ASP  57   0.610  12.338  -5.708
  419    H    ARG  58           H        ARG  58   0.477   9.218  -4.307
  420    HA   ARG  58           HA       ARG  58  -1.094   7.590  -4.528
  421   1HB   ARG  58          2HB       ARG  58  -1.530   8.935  -7.202
  422   2HB   ARG  58          1HB       ARG  58  -2.602   7.722  -6.501
  423   1HG   ARG  58          2HG       ARG  58  -3.014   9.219  -4.595
  424   2HG   ARG  58          1HG       ARG  58  -1.984  10.438  -5.350
  425   1HD   ARG  58          2HD       ARG  58  -3.643   9.964  -7.390
  426   2HD   ARG  58          1HD       ARG  58  -4.721   9.554  -6.057
  427    HE   ARG  58           HE       ARG  58  -4.946  11.782  -5.680
  428   1HH1  ARG  58          1HH1      ARG  58  -1.859  11.266  -7.226
  429   2HH1  ARG  58          2HH1      ARG  58  -1.468  12.952  -7.287
  430   1HH2  ARG  58          1HH2      ARG  58  -4.431  13.999  -5.760
  431   2HH2  ARG  58          2HH2      ARG  58  -2.927  14.503  -6.454
  432    H    CYS  59           H        CYS  59   1.676   7.147  -5.450
  433    HA   CYS  59           HA       CYS  59   1.703   5.554  -7.772
  434   1HB   CYS  59          2HB       CYS  59   3.910   4.918  -7.099
  435   2HB   CYS  59          1HB       CYS  59   3.695   6.615  -6.682
  436    H    ASN  60           H        ASN  60   0.833   4.902  -4.474
  437    HA   ASN  60           HA       ASN  60   0.834   2.013  -4.936
  438   1HB   ASN  60          2HB       ASN  60   0.260   1.903  -2.492
  439   2HB   ASN  60          1HB       ASN  60   1.813   2.667  -2.844
  440   1HD2  ASN  60          1HD2      ASN  60   1.316   3.379  -0.568
  441   2HD2  ASN  60          2HD2      ASN  60   0.474   4.887  -0.394
  442    H    ASN  61           H        ASN  61  -1.081   3.821  -6.258
  443    HA   ASN  61           HA       ASN  61  -3.608   3.681  -5.035
  444   1HB   ASN  61          2HB       ASN  61  -4.484   4.274  -7.220
  445   2HB   ASN  61          1HB       ASN  61  -3.038   5.216  -6.889
  446   1HD2  ASN  61          1HD2      ASN  61  -1.142   4.766  -8.018
  447   2HD2  ASN  61          2HD2      ASN  61  -1.156   3.860  -9.500
  Start of MODEL   17
    1   1H    LEU   1          1HT       LEU   1   4.415  13.409   1.213
    2   2H    LEU   1          2HT       LEU   1   3.714  14.775   0.445
    3   3H    LEU   1          3HT       LEU   1   5.282  14.244  -0.007
    4    HA   LEU   1           HA       LEU   1   3.632  13.631  -1.615
    5   1HB   LEU   1          2HB       LEU   1   5.663  12.152  -0.544
    6   2HB   LEU   1          1HB       LEU   1   4.319  11.034  -0.411
    7    HG   LEU   1           HG       LEU   1   4.640  12.351  -3.038
    8   1HD1  LEU   1          1HD1      LEU   1   6.481  11.070  -3.756
    9   2HD1  LEU   1          2HD1      LEU   1   6.496  10.115  -2.274
   10   3HD1  LEU   1          3HD1      LEU   1   6.980  11.810  -2.235
   11   1HD2  LEU   1          1HD2      LEU   1   4.052  10.113  -3.822
   12   2HD2  LEU   1          2HD2      LEU   1   2.900  10.694  -2.619
   13   3HD2  LEU   1          3HD2      LEU   1   4.126   9.510  -2.166
   14    H    GLU   2           H        GLU   2   1.519  13.376  -1.871
   15    HA   GLU   2           HA       GLU   2  -0.084  12.313   0.320
   16   1HB   GLU   2          2HB       GLU   2  -0.547  14.455  -1.158
   17   2HB   GLU   2          1HB       GLU   2  -1.281  13.280  -2.240
   18   1HG   GLU   2          2HG       GLU   2  -2.815  12.583  -0.524
   19   2HG   GLU   2          1HG       GLU   2  -2.020  13.624   0.656
   20    H    CYS   3           H        CYS   3   0.547  10.104   0.101
   21    HA   CYS   3           HA       CYS   3   0.018   8.689  -2.340
   22   1HB   CYS   3          2HB       CYS   3   0.451   7.373   0.324
   23   2HB   CYS   3          1HB       CYS   3   0.926   6.820  -1.279
   24    H    HIS   4           H        HIS   4  -1.093   6.321  -1.426
   25    HA   HIS   4           HA       HIS   4  -3.849   7.177  -0.870
   26   1HB   HIS   4          2HB       HIS   4  -2.705   4.808  -2.335
   27   2HB   HIS   4          1HB       HIS   4  -4.378   4.820  -1.770
   28    HD1  HIS   4           1HD      HIS   4  -5.616   7.261  -2.601
   29    HD2  HIS   4           2HD      HIS   4  -2.575   5.609  -4.900
   30    HE1  HIS   4           1HE      HIS   4  -5.896   8.250  -4.894
   31    HE2  HIS   4           2HE      HIS   4  -4.114   7.151  -6.295
   32    H    ASN   5           H        ASN   5  -5.164   5.331   0.203
   33    HA   ASN   5           HA       ASN   5  -3.872   3.571   2.000
   34   1HB   ASN   5          2HB       ASN   5  -4.418   4.704   4.120
   35   2HB   ASN   5          1HB       ASN   5  -3.266   5.638   3.164
   36   1HD2  ASN   5          1HD2      ASN   5  -4.115   7.274   4.744
   37   2HD2  ASN   5          2HD2      ASN   5  -5.493   8.205   4.242
   38    H    GLN   6           H        GLN   6  -5.705   2.815   0.388
   39    HA   GLN   6           HA       GLN   6  -8.238   2.787   1.897
   40   1HB   GLN   6          2HB       GLN   6  -9.428   2.537  -0.174
   41   2HB   GLN   6          1HB       GLN   6  -8.346   3.913  -0.330
   42   1HG   GLN   6          2HG       GLN   6  -6.736   2.071  -1.334
   43   2HG   GLN   6          1HG       GLN   6  -8.271   1.273  -1.677
   44   1HE2  GLN   6          1HE2      GLN   6  -6.348   4.145  -2.236
   45   2HE2  GLN   6          2HE2      GLN   6  -7.168   4.644  -3.683
   46    H    GLN   7           H        GLN   7  -8.965   0.875   2.596
   47    HA   GLN   7           HA       GLN   7  -7.414  -1.494   2.106
   48   1HB   GLN   7          2HB       GLN   7  -9.088  -2.534   3.651
   49   2HB   GLN   7          1HB       GLN   7  -8.227  -1.166   4.331
   50   1HG   GLN   7          2HG       GLN   7 -10.554  -0.148   3.115
   51   2HG   GLN   7          1HG       GLN   7 -11.034  -1.573   4.034
   52   1HE2  GLN   7          1HE2      GLN   7 -11.066   1.556   4.289
   53   2HE2  GLN   7          2HE2      GLN   7 -10.679   1.786   5.966
   54    H    SER   8           H        SER   8  -7.689  -2.561   0.251
   55    HA   SER   8           HA       SER   8  -8.703  -3.832  -1.352
   56   1HB   SER   8          2HB       SER   8 -10.585  -3.869   0.745
   57   2HB   SER   8          1HB       SER   8 -11.501  -3.483  -0.717
   58    HG   SER   8           HG       SER   8 -10.636  -5.343  -1.679
   59    H    SER   9           H        SER   9 -11.149  -3.424  -2.686
   60    HA   SER   9           HA       SER   9 -10.489  -1.380  -4.459
   61   1HB   SER   9          2HB       SER   9 -11.943  -3.130  -5.200
   62   2HB   SER   9          1HB       SER   9 -13.121  -2.771  -3.938
   63    HG   SER   9           HG       SER   9 -13.567  -0.817  -4.971
   64    H    GLN  10           H        GLN  10 -13.569  -1.258  -2.713
   65    HA   GLN  10           HA       GLN  10 -14.819   0.532  -2.119
   66   1HB   GLN  10          2HB       GLN  10 -12.428   1.295  -0.532
   67   2HB   GLN  10          1HB       GLN  10 -14.120   1.324  -0.082
   68   1HG   GLN  10          2HG       GLN  10 -13.913  -1.225  -0.412
   69   2HG   GLN  10          1HG       GLN  10 -12.204  -0.920  -0.155
   70   1HE2  GLN  10          1HE2      GLN  10 -12.032   0.864   1.744
   71   2HE2  GLN  10          2HE2      GLN  10 -12.820   0.354   3.206
   72    H    ALA  11           H        ALA  11 -14.206   3.051  -1.229
   73    HA   ALA  11           HA       ALA  11 -13.655   4.385  -3.750
   74   1HB   ALA  11          1HB       ALA  11 -14.274   6.407  -2.097
   75   2HB   ALA  11          2HB       ALA  11 -15.065   5.076  -1.253
   76   3HB   ALA  11          3HB       ALA  11 -15.483   5.428  -2.930
   77    HA   PRO  12           HA       PRO  12  -9.328   5.141  -2.934
   78   1HB   PRO  12          2HB       PRO  12 -10.181   7.641  -4.358
   79   2HB   PRO  12          1HB       PRO  12  -8.703   6.688  -4.561
   80   1HG   PRO  12          2HG       PRO  12 -10.681   6.377  -6.280
   81   2HG   PRO  12          1HG       PRO  12  -9.816   4.956  -5.649
   82   1HD   PRO  12          2HD       PRO  12 -12.545   5.957  -4.981
   83   2HD   PRO  12          1HD       PRO  12 -11.928   4.291  -5.031
   84    H    THR  13           H        THR  13  -8.001   6.688  -1.801
   85    HA   THR  13           HA       THR  13  -9.222   8.904  -0.434
   86    HB   THR  13           HB       THR  13  -8.245   7.704   1.797
   87    HG1  THR  13           1HG      THR  13  -8.765   5.573   1.789
   88   1HG2  THR  13          1HG2      THR  13 -10.801   6.780   1.872
   89   2HG2  THR  13          2HG2      THR  13 -10.914   8.075   0.679
   90   3HG2  THR  13          3HG2      THR  13 -10.295   8.416   2.295
   91    H    THR  14           H        THR  14  -7.681  10.336  -0.942
   92    HA   THR  14           HA       THR  14  -4.867   9.577  -0.692
   93    HB   THR  14           HB       THR  14  -4.500  11.854  -1.766
   94    HG1  THR  14           1HG      THR  14  -6.166  13.065  -2.067
   95   1HG2  THR  14          1HG2      THR  14  -5.854   9.577  -3.097
   96   2HG2  THR  14          2HG2      THR  14  -4.243  10.247  -3.352
   97   3HG2  THR  14          3HG2      THR  14  -5.658  11.083  -3.993
   98    H    LYS  15           H        LYS  15  -3.462  10.517   0.723
   99    HA   LYS  15           HA       LYS  15  -4.182  12.814   2.289
  100   1HB   LYS  15          2HB       LYS  15  -5.139  10.464   3.280
  101   2HB   LYS  15          1HB       LYS  15  -3.568  10.543   4.066
  102   1HG   LYS  15          2HG       LYS  15  -5.128  13.031   4.144
  103   2HG   LYS  15          1HG       LYS  15  -5.820  11.672   5.033
  104   1HD   LYS  15          2HD       LYS  15  -2.944  12.488   5.344
  105   2HD   LYS  15          1HD       LYS  15  -4.234  13.213   6.306
  106   1HE   LYS  15          2HE       LYS  15  -3.773  10.243   6.140
  107   2HE   LYS  15          1HE       LYS  15  -3.020  11.265   7.363
  108   1HZ   LYS  15          1HZ       LYS  15  -5.928  11.402   7.013
  109   2HZ   LYS  15          2HZ       LYS  15  -5.001  11.634   8.409
  110   3HZ   LYS  15          3HZ       LYS  15  -5.276  10.069   7.827
  111    H    THR  16           H        THR  16  -2.438  13.513   3.705
  112    HA   THR  16           HA       THR  16   0.159  12.647   2.661
  113    HB   THR  16           HB       THR  16  -0.187  15.035   4.433
  114    HG1  THR  16           1HG      THR  16  -0.934  16.246   2.777
  115   1HG2  THR  16          1HG2      THR  16   1.596  15.966   3.210
  116   2HG2  THR  16          2HG2      THR  16   1.476  14.734   1.954
  117   3HG2  THR  16          3HG2      THR  16   2.054  14.300   3.563
  118    H    CYS  17           H        CYS  17   1.899  12.154   4.027
  119    HA   CYS  17           HA       CYS  17   1.095  11.004   6.572
  120   1HB   CYS  17          2HB       CYS  17   3.705  10.877   5.047
  121   2HB   CYS  17          1HB       CYS  17   3.396  10.043   6.573
  122    H    SER  18           H        SER  18   3.083  11.148   8.249
  123    HA   SER  18           HA       SER  18   2.985  13.733   9.314
  124   1HB   SER  18          2HB       SER  18   5.212  12.656  10.498
  125   2HB   SER  18          1HB       SER  18   3.555  12.369  11.024
  126    HG   SER  18           HG       SER  18   4.853  10.771   9.079
  127    H    GLY  19           H        GLY  19   5.899  12.084   8.059
  128   1HA   GLY  19          2HA       GLY  19   6.687  14.421   6.570
  129   2HA   GLY  19          1HA       GLY  19   7.651  14.168   8.023
  130    H    GLU  20           H        GLU  20   6.325  11.503   6.196
  131    HA   GLU  20           HA       GLU  20   8.873  10.290   5.897
  132   1HB   GLU  20          2HB       GLU  20   6.092   9.665   5.021
  133   2HB   GLU  20          1HB       GLU  20   7.420   8.835   4.210
  134   1HG   GLU  20          2HG       GLU  20   7.720   8.807   7.090
  135   2HG   GLU  20          1HG       GLU  20   6.195   8.090   6.573
  136    H    THR  21           H        THR  21   9.251   9.308   3.504
  137    HA   THR  21           HA       THR  21   9.247  11.590   1.646
  138    HB   THR  21           HB       THR  21  11.496  10.380   0.874
  139    HG1  THR  21           1HG      THR  21  12.254   9.076   2.306
  140   1HG2  THR  21          1HG2      THR  21  12.072  11.944   3.260
  141   2HG2  THR  21          2HG2      THR  21  10.957  12.733   2.146
  142   3HG2  THR  21          3HG2      THR  21  12.543  12.210   1.581
  143    H    ASN  22           H        ASN  22   9.407   8.081   2.000
  144    HA   ASN  22           HA       ASN  22   8.346   7.839  -0.739
  145   1HB   ASN  22          2HB       ASN  22   9.524   5.376   0.228
  146   2HB   ASN  22          1HB       ASN  22   9.881   6.288  -1.240
  147   1HD2  ASN  22          1HD2      ASN  22  10.807   5.592   2.001
  148   2HD2  ASN  22          2HD2      ASN  22  12.304   6.471   1.990
  149    H    CYS  23           H        CYS  23   6.905   6.051  -1.128
  150    HA   CYS  23           HA       CYS  23   5.440   5.179   1.272
  151   1HB   CYS  23          2HB       CYS  23   4.504   6.448  -1.233
  152   2HB   CYS  23          1HB       CYS  23   3.540   5.088  -0.657
  153    H    TYR  24           H        TYR  24   3.753   3.342   0.216
  154    HA   TYR  24           HA       TYR  24   5.117   1.602  -1.619
  155   1HB   TYR  24          2HB       TYR  24   5.421  -0.275  -0.085
  156   2HB   TYR  24          1HB       TYR  24   6.364   1.121   0.436
  157    HD1  TYR  24           1HD      TYR  24   6.128   1.959   2.608
  158    HD2  TYR  24           2HD      TYR  24   3.170  -0.685   1.070
  159    HE1  TYR  24           1HE      TYR  24   5.094   1.831   4.835
  160    HE2  TYR  24           2HE      TYR  24   2.127  -0.817   3.292
  161    HH   TYR  24           HH       TYR  24   3.582   0.023   6.061
  162    H    LYS  25           H        LYS  25   3.995  -0.678  -1.463
  163    HA   LYS  25           HA       LYS  25   1.215  -0.643  -0.747
  164   1HB   LYS  25          2HB       LYS  25   1.507   0.580  -3.050
  165   2HB   LYS  25          1HB       LYS  25   1.721  -1.054  -3.674
  166   1HG   LYS  25          2HG       LYS  25  -0.479  -1.600  -2.506
  167   2HG   LYS  25          1HG       LYS  25  -0.696   0.147  -2.376
  168   1HD   LYS  25          2HD       LYS  25  -1.068   0.397  -4.598
  169   2HD   LYS  25          1HD       LYS  25   0.067  -0.881  -5.039
  170   1HE   LYS  25          2HE       LYS  25  -1.694  -2.477  -4.034
  171   2HE   LYS  25          1HE       LYS  25  -2.798  -1.109  -4.185
  172   1HZ   LYS  25          1HZ       LYS  25  -1.215  -1.772  -6.538
  173   2HZ   LYS  25          2HZ       LYS  25  -2.823  -1.263  -6.423
  174   3HZ   LYS  25          3HZ       LYS  25  -2.425  -2.877  -6.113
  175    H    LYS  26           H        LYS  26   0.667  -2.662  -0.207
  176    HA   LYS  26           HA       LYS  26   2.218  -4.865  -1.397
  177   1HB   LYS  26          2HB       LYS  26   1.716  -6.037   0.854
  178   2HB   LYS  26          1HB       LYS  26   3.016  -4.873   0.761
  179   1HG   LYS  26          2HG       LYS  26   0.699  -3.440   1.469
  180   2HG   LYS  26          1HG       LYS  26   0.746  -4.891   2.468
  181   1HD   LYS  26          2HD       LYS  26   3.328  -4.114   2.615
  182   2HD   LYS  26          1HD       LYS  26   2.533  -2.549   2.444
  183   1HE   LYS  26          2HE       LYS  26   1.496  -4.547   4.410
  184   2HE   LYS  26          1HE       LYS  26   2.908  -3.571   4.812
  185   1HZ   LYS  26          1HZ       LYS  26   1.674  -1.723   5.026
  186   2HZ   LYS  26          2HZ       LYS  26   0.396  -2.805   5.260
  187   3HZ   LYS  26          3HZ       LYS  26   0.645  -2.109   3.739
  188    H    TRP  27           H        TRP  27   1.174  -6.908  -1.490
  189    HA   TRP  27           HA       TRP  27  -1.639  -7.105  -0.987
  190   1HB   TRP  27          2HB       TRP  27  -2.247  -7.609  -3.366
  191   2HB   TRP  27          1HB       TRP  27  -1.869  -5.936  -3.056
  192    HD1  TRP  27           HD       TRP  27  -0.863  -8.835  -5.077
  193    HE1  TRP  27           1HE      TRP  27   1.009  -8.174  -6.695
  194    HE3  TRP  27           3HE      TRP  27   0.247  -4.231  -3.187
  195    HZ2  TRP  27           2HZ      TRP  27   2.744  -5.986  -7.127
  196    HZ3  TRP  27           3HZ      TRP  27   2.020  -2.915  -4.259
  197    HH2  TRP  27           HH       TRP  27   3.243  -3.772  -6.188
  198    H    TRP  28           H        TRP  28  -2.522  -9.209  -1.739
  199    HA   TRP  28           HA       TRP  28  -0.630 -11.292  -2.369
  200   1HB   TRP  28          2HB       TRP  28  -1.225 -12.604  -0.277
  201   2HB   TRP  28          1HB       TRP  28  -0.162 -11.224  -0.035
  202    HD1  TRP  28           HD       TRP  28  -3.610 -12.495   0.796
  203    HE1  TRP  28           1HE      TRP  28  -4.652 -10.936   2.525
  204    HE3  TRP  28           3HE      TRP  28  -0.143  -8.738   0.745
  205    HZ2  TRP  28           2HZ      TRP  28  -4.115  -8.450   3.744
  206    HZ3  TRP  28           3HZ      TRP  28  -0.481  -6.805   2.229
  207    HH2  TRP  28           HH       TRP  28  -2.429  -6.665   3.696
  208    H    SER  29           H        SER  29  -1.797 -13.503  -2.168
  209    HA   SER  29           HA       SER  29  -4.639 -13.199  -2.863
  210   1HB   SER  29          2HB       SER  29  -2.666 -14.973  -4.325
  211   2HB   SER  29          1HB       SER  29  -4.390 -14.809  -4.683
  212    HG   SER  29           HG       SER  29  -3.882 -12.510  -5.021
  213    H    ASP  30           H        ASP  30  -5.539 -14.095  -1.087
  214    HA   ASP  30           HA       ASP  30  -4.520 -16.681  -0.150
  215   1HB   ASP  30          2HB       ASP  30  -5.164 -14.474   1.289
  216   2HB   ASP  30          1HB       ASP  30  -6.687 -15.359   1.364
  217    H    HIS  31           H        HIS  31  -6.866 -17.562   1.127
  218    HA   HIS  31           HA       HIS  31  -8.166 -18.863  -1.039
  219   1HB   HIS  31          2HB       HIS  31  -9.707 -19.709   0.810
  220   2HB   HIS  31          1HB       HIS  31  -7.999 -20.108   0.963
  221    HD1  HIS  31           1HD      HIS  31  -7.033 -19.662   3.192
  222    HD2  HIS  31           2HD      HIS  31 -10.370 -17.298   2.457
  223    HE1  HIS  31           1HE      HIS  31  -7.427 -18.377   5.317
  224    HE2  HIS  31           2HE      HIS  31  -9.403 -16.893   4.821
  225    H    ARG  32           H        ARG  32  -9.014 -16.174   1.066
  226    HA   ARG  32           HA       ARG  32 -11.713 -15.941   0.227
  227   1HB   ARG  32          2HB       ARG  32  -9.801 -14.335   1.809
  228   2HB   ARG  32          1HB       ARG  32 -11.088 -13.419   1.025
  229   1HG   ARG  32          2HG       ARG  32 -12.756 -14.486   2.233
  230   2HG   ARG  32          1HG       ARG  32 -11.719 -15.854   2.644
  231   1HD   ARG  32          2HD       ARG  32 -10.371 -13.746   3.752
  232   2HD   ARG  32          1HD       ARG  32 -12.054 -13.273   3.981
  233    HE   ARG  32           HE       ARG  32 -10.656 -15.411   5.297
  234   1HH1  ARG  32          1HH1      ARG  32 -13.786 -14.205   4.333
  235   2HH1  ARG  32          2HH1      ARG  32 -14.640 -15.085   5.555
  236   1HH2  ARG  32          1HH2      ARG  32 -11.778 -16.571   6.905
  237   2HH2  ARG  32          2HH2      ARG  32 -13.501 -16.428   7.015
  238    H    GLY  33           H        GLY  33  -8.680 -14.794  -1.056
  239   1HA   GLY  33          2HA       GLY  33  -9.227 -14.450  -3.624
  240   2HA   GLY  33          1HA       GLY  33 -10.017 -13.023  -2.956
  241    H    THR  34           H        THR  34  -8.834 -11.235  -2.814
  242    HA   THR  34           HA       THR  34  -5.960 -11.420  -2.373
  243    HB   THR  34           HB       THR  34  -6.409 -11.401  -4.872
  244    HG1  THR  34           1HG      THR  34  -4.747  -9.927  -5.232
  245   1HG2  THR  34          1HG2      THR  34  -8.239  -9.542  -4.520
  246   2HG2  THR  34          2HG2      THR  34  -7.256  -9.610  -5.982
  247   3HG2  THR  34          3HG2      THR  34  -6.847  -8.474  -4.696
  248    H    ILE  35           H        ILE  35  -5.025  -9.522  -1.536
  249    HA   ILE  35           HA       ILE  35  -6.877  -7.338  -0.880
  250    HB   ILE  35           HB       ILE  35  -4.982  -8.500   1.155
  251   1HG1  ILE  35          2HG1      ILE  35  -7.977  -8.888   0.981
  252   2HG1  ILE  35          1HG1      ILE  35  -6.785 -10.112   0.554
  253   1HG2  ILE  35          1HG2      ILE  35  -5.357  -6.369   1.876
  254   2HG2  ILE  35          2HG2      ILE  35  -6.743  -7.176   2.608
  255   3HG2  ILE  35          3HG2      ILE  35  -6.942  -6.271   1.108
  256   1HD1  ILE  35          1HD1      ILE  35  -7.857  -9.416   3.125
  257   2HD1  ILE  35          2HD1      ILE  35  -6.099  -9.288   3.125
  258   3HD1  ILE  35          3HD1      ILE  35  -6.873 -10.801   2.653
  259    H    ILE  36           H        ILE  36  -5.851  -5.325  -0.387
  260    HA   ILE  36           HA       ILE  36  -2.988  -5.149  -0.974
  261    HB   ILE  36           HB       ILE  36  -3.287  -3.318  -2.543
  262   1HG1  ILE  36          2HG1      ILE  36  -6.247  -3.812  -2.145
  263   2HG1  ILE  36          1HG1      ILE  36  -5.357  -2.358  -1.709
  264   1HG2  ILE  36          1HG2      ILE  36  -5.097  -5.108  -3.912
  265   2HG2  ILE  36          2HG2      ILE  36  -3.840  -5.994  -3.049
  266   3HG2  ILE  36          3HG2      ILE  36  -3.398  -4.762  -4.230
  267   1HD1  ILE  36          1HD1      ILE  36  -5.762  -3.370  -4.513
  268   2HD1  ILE  36          2HD1      ILE  36  -4.950  -1.875  -4.044
  269   3HD1  ILE  36          3HD1      ILE  36  -6.677  -2.072  -3.745
  270    H    GLU  37           H        GLU  37  -1.959  -3.764   0.402
  271    HA   GLU  37           HA       GLU  37  -3.621  -1.750   1.764
  272   1HB   GLU  37          2HB       GLU  37  -1.618  -2.235   3.564
  273   2HB   GLU  37          1HB       GLU  37  -3.245  -2.910   3.645
  274   1HG   GLU  37          2HG       GLU  37  -2.567  -4.955   2.804
  275   2HG   GLU  37          1HG       GLU  37  -1.079  -4.302   2.130
  276    H    ARG  38           H        ARG  38  -2.342   0.055   2.705
  277    HA   ARG  38           HA       ARG  38   0.092   0.638   1.164
  278   1HB   ARG  38          2HB       ARG  38  -2.249   2.510   1.563
  279   2HB   ARG  38          1HB       ARG  38  -0.714   2.959   0.836
  280   1HG   ARG  38          2HG       ARG  38  -1.306   2.149  -1.146
  281   2HG   ARG  38          1HG       ARG  38  -1.883   0.637  -0.444
  282   1HD   ARG  38          2HD       ARG  38  -4.019   1.537  -0.012
  283   2HD   ARG  38          1HD       ARG  38  -3.463   3.188  -0.281
  284    HE   ARG  38           HE       ARG  38  -3.866   2.901  -2.506
  285   1HH1  ARG  38          1HH1      ARG  38  -3.569  -0.248  -1.030
  286   2HH1  ARG  38          2HH1      ARG  38  -3.999  -1.104  -2.473
  287   1HH2  ARG  38          1HH2      ARG  38  -4.433   1.777  -4.404
  288   2HH2  ARG  38          2HH2      ARG  38  -4.491   0.047  -4.389
  289    H    GLY  39           H        GLY  39   1.099   2.783   2.058
  290   1HA   GLY  39          2HA       GLY  39   0.630   3.479   4.767
  291   2HA   GLY  39          1HA       GLY  39   1.951   2.327   4.665
  292    H    CYS  40           H        CYS  40   3.631   3.633   5.223
  293    HA   CYS  40           HA       CYS  40   4.486   5.551   3.227
  294   1HB   CYS  40          2HB       CYS  40   3.168   6.444   5.567
  295   2HB   CYS  40          1HB       CYS  40   4.881   6.816   5.779
  296    H    GLY  41           H        GLY  41   6.290   4.354   2.810
  297   1HA   GLY  41          2HA       GLY  41   8.664   4.729   3.952
  298   2HA   GLY  41          1HA       GLY  41   7.996   3.482   5.003
  299    H    CYS  42           H        CYS  42   9.524   1.937   4.428
  300    HA   CYS  42           HA       CYS  42   8.906   0.480   2.034
  301   1HB   CYS  42          2HB       CYS  42  10.523   2.255   1.259
  302   2HB   CYS  42          1HB       CYS  42  11.732   1.513   2.311
  303    HA   PRO  43           HA       PRO  43  10.501  -2.045   5.574
  304   1HB   PRO  43          2HB       PRO  43   8.322  -3.556   5.976
  305   2HB   PRO  43          1HB       PRO  43   8.448  -1.917   6.641
  306   1HG   PRO  43          2HG       PRO  43   6.989  -2.872   4.207
  307   2HG   PRO  43          1HG       PRO  43   6.471  -1.704   5.441
  308   1HD   PRO  43          2HD       PRO  43   7.511  -1.009   2.988
  309   2HD   PRO  43          1HD       PRO  43   7.573   0.027   4.430
  310    H    LYS  44           H        LYS  44   9.969  -4.657   5.715
  311    HA   LYS  44           HA       LYS  44  11.047  -5.667   3.213
  312   1HB   LYS  44          2HB       LYS  44  10.560  -7.098   5.833
  313   2HB   LYS  44          1HB       LYS  44  11.453  -7.736   4.459
  314   1HG   LYS  44          2HG       LYS  44  13.300  -6.514   4.914
  315   2HG   LYS  44          1HG       LYS  44  12.378  -5.152   5.553
  316   1HD   LYS  44          2HD       LYS  44  12.560  -5.895   7.654
  317   2HD   LYS  44          1HD       LYS  44  12.104  -7.536   7.193
  318   1HE   LYS  44          2HE       LYS  44  14.353  -7.462   8.153
  319   2HE   LYS  44          1HE       LYS  44  14.384  -7.983   6.468
  320   1HZ   LYS  44          1HZ       LYS  44  15.030  -5.264   7.471
  321   2HZ   LYS  44          2HZ       LYS  44  14.997  -5.713   5.841
  322   3HZ   LYS  44          3HZ       LYS  44  16.135  -6.403   6.885
  323    H    VAL  45           H        VAL  45  10.217  -8.161   2.936
  324    HA   VAL  45           HA       VAL  45   7.320  -7.892   2.489
  325    HB   VAL  45           HB       VAL  45   7.575  -9.609   0.742
  326   1HG1  VAL  45          1HG1      VAL  45   9.627  -7.712  -0.130
  327   2HG1  VAL  45          2HG1      VAL  45   8.199  -6.958   0.580
  328   3HG1  VAL  45          3HG1      VAL  45   8.029  -8.045  -0.798
  329   1HG2  VAL  45          1HG2      VAL  45  10.517  -9.390   1.376
  330   2HG2  VAL  45          2HG2      VAL  45   9.840 -10.229  -0.020
  331   3HG2  VAL  45          3HG2      VAL  45   9.492 -10.805   1.610
  332    H    LYS  46           H        LYS  46   5.947  -9.651   2.915
  333    HA   LYS  46           HA       LYS  46   6.879 -11.355   5.035
  334   1HB   LYS  46          2HB       LYS  46   4.219 -10.445   4.078
  335   2HB   LYS  46          1HB       LYS  46   4.299 -11.980   4.930
  336   1HG   LYS  46          2HG       LYS  46   5.503  -9.485   6.074
  337   2HG   LYS  46          1HG       LYS  46   3.798  -9.882   6.290
  338   1HD   LYS  46          2HD       LYS  46   6.134 -11.612   7.101
  339   2HD   LYS  46          1HD       LYS  46   5.137 -10.645   8.189
  340   1HE   LYS  46          2HE       LYS  46   3.247 -12.098   6.885
  341   2HE   LYS  46          1HE       LYS  46   4.591 -13.239   6.922
  342   1HZ   LYS  46          1HZ       LYS  46   4.678 -13.119   9.270
  343   2HZ   LYS  46          2HZ       LYS  46   3.051 -13.345   8.865
  344   3HZ   LYS  46          3HZ       LYS  46   3.603 -11.814   9.327
  345    HA   PRO  47           HA       PRO  47   7.693 -15.007   2.688
  346   1HB   PRO  47          2HB       PRO  47   5.963 -16.422   4.607
  347   2HB   PRO  47          1HB       PRO  47   7.651 -16.690   4.206
  348   1HG   PRO  47          2HG       PRO  47   6.656 -15.416   6.468
  349   2HG   PRO  47          1HG       PRO  47   8.336 -15.471   5.937
  350   1HD   PRO  47          2HD       PRO  47   6.630 -13.217   6.038
  351   2HD   PRO  47          1HD       PRO  47   8.269 -13.313   5.366
  352    H    GLY  48           H        GLY  48   6.462 -14.514   0.819
  353   1HA   GLY  48          2HA       GLY  48   4.912 -15.684  -0.621
  354   2HA   GLY  48          1HA       GLY  48   3.841 -15.868   0.765
  355    H    VAL  49           H        VAL  49   4.308 -13.047   1.570
  356    HA   VAL  49           HA       VAL  49   2.201 -11.892  -0.018
  357    HB   VAL  49           HB       VAL  49   3.812 -10.572   2.168
  358   1HG1  VAL  49          1HG1      VAL  49   1.325  -9.522   2.299
  359   2HG1  VAL  49          2HG1      VAL  49   1.467  -9.815   0.566
  360   3HG1  VAL  49          3HG1      VAL  49   2.655  -8.806   1.390
  361   1HG2  VAL  49          1HG2      VAL  49   1.210 -12.075   2.433
  362   2HG2  VAL  49          2HG2      VAL  49   2.114 -11.285   3.725
  363   3HG2  VAL  49          3HG2      VAL  49   2.787 -12.700   2.916
  364    H    ASN  50           H        ASN  50   2.320  -9.949  -1.208
  365    HA   ASN  50           HA       ASN  50   4.996  -9.407  -2.291
  366   1HB   ASN  50          2HB       ASN  50   2.488  -8.383  -3.570
  367   2HB   ASN  50          1HB       ASN  50   4.026  -8.819  -4.316
  368   1HD2  ASN  50          1HD2      ASN  50   0.885  -9.790  -3.670
  369   2HD2  ASN  50          2HD2      ASN  50   1.033 -11.460  -4.125
  370    H    LEU  51           H        LEU  51   5.688  -7.260  -2.627
  371    HA   LEU  51           HA       LEU  51   4.167  -5.043  -1.619
  372   1HB   LEU  51          2HB       LEU  51   4.887  -5.763   0.503
  373   2HB   LEU  51          1HB       LEU  51   6.481  -6.192  -0.085
  374    HG   LEU  51           HG       LEU  51   6.801  -3.664  -0.482
  375   1HD1  LEU  51          1HD1      LEU  51   4.208  -3.452   0.082
  376   2HD1  LEU  51          2HD1      LEU  51   5.365  -2.164   0.416
  377   3HD1  LEU  51          3HD1      LEU  51   4.860  -3.251   1.708
  378   1HD2  LEU  51          1HD2      LEU  51   7.623  -5.272   1.438
  379   2HD2  LEU  51          2HD2      LEU  51   6.560  -4.262   2.417
  380   3HD2  LEU  51          3HD2      LEU  51   7.889  -3.531   1.518
  381    H    ASN  52           H        ASN  52   5.102  -3.018  -2.181
  382    HA   ASN  52           HA       ASN  52   7.694  -2.954  -3.445
  383   1HB   ASN  52          2HB       ASN  52   7.082  -2.546  -5.646
  384   2HB   ASN  52          1HB       ASN  52   5.924  -3.781  -5.166
  385   1HD2  ASN  52          1HD2      ASN  52   4.030  -2.451  -3.831
  386   2HD2  ASN  52          2HD2      ASN  52   3.278  -1.267  -4.838
  387    H    CYS  53           H        CYS  53   8.633  -1.087  -2.979
  388    HA   CYS  53           HA       CYS  53   7.067   1.092  -1.897
  389   1HB   CYS  53          2HB       CYS  53  10.051   1.088  -2.291
  390   2HB   CYS  53          1HB       CYS  53   9.098   1.940  -1.081
  391    H    CYS  54           H        CYS  54   7.372   3.303  -2.623
  392    HA   CYS  54           HA       CYS  54   8.566   3.829  -5.181
  393   1HB   CYS  54          2HB       CYS  54   6.280   4.722  -6.064
  394   2HB   CYS  54          1HB       CYS  54   6.666   3.009  -6.230
  395    H    ARG  55           H        ARG  55   8.552   5.969  -5.781
  396    HA   ARG  55           HA       ARG  55   8.019   7.801  -3.560
  397   1HB   ARG  55          2HB       ARG  55  10.038   8.739  -5.367
  398   2HB   ARG  55          1HB       ARG  55  10.149   8.406  -3.647
  399   1HG   ARG  55          2HG       ARG  55  10.457   5.974  -4.300
  400   2HG   ARG  55          1HG       ARG  55  10.715   6.571  -5.942
  401   1HD   ARG  55          2HD       ARG  55  12.265   7.557  -3.557
  402   2HD   ARG  55          1HD       ARG  55  12.794   6.206  -4.562
  403    HE   ARG  55           HE       ARG  55  12.229   8.406  -6.201
  404   1HH1  ARG  55          1HH1      ARG  55  14.565   7.366  -3.828
  405   2HH1  ARG  55          2HH1      ARG  55  15.851   8.319  -4.491
  406   1HH2  ARG  55          1HH2      ARG  55  13.919   9.663  -7.076
  407   2HH2  ARG  55          2HH2      ARG  55  15.485   9.622  -6.335
  408    H    THR  56           H        THR  56   6.064   7.282  -5.521
  409    HA   THR  56           HA       THR  56   6.025   9.865  -6.937
  410    HB   THR  56           HB       THR  56   4.494   7.605  -8.101
  411    HG1  THR  56           1HG      THR  56   6.383   6.869  -9.179
  412   1HG2  THR  56          1HG2      THR  56   4.300   9.248  -9.601
  413   2HG2  THR  56          2HG2      THR  56   5.907   8.732 -10.115
  414   3HG2  THR  56          3HG2      THR  56   5.729  10.096  -9.012
  415    H    ASP  57           H        ASP  57   3.969  10.846  -7.196
  416    HA   ASP  57           HA       ASP  57   2.276  10.622  -4.959
  417   1HB   ASP  57          2HB       ASP  57   2.574  12.682  -6.351
  418   2HB   ASP  57          1HB       ASP  57   1.617  11.908  -7.617
  419    H    ARG  58           H        ARG  58   0.632   9.304  -4.536
  420    HA   ARG  58           HA       ARG  58  -0.957   7.692  -4.760
  421   1HB   ARG  58          2HB       ARG  58  -1.215   9.006  -7.470
  422   2HB   ARG  58          1HB       ARG  58  -2.312   7.755  -6.886
  423   1HG   ARG  58          2HG       ARG  58  -2.842   9.229  -4.948
  424   2HG   ARG  58          1HG       ARG  58  -1.876  10.492  -5.711
  425   1HD   ARG  58          2HD       ARG  58  -3.484   9.800  -7.764
  426   2HD   ARG  58          1HD       ARG  58  -4.552   9.466  -6.402
  427    HE   ARG  58           HE       ARG  58  -3.273  12.037  -6.269
  428   1HH1  ARG  58          1HH1      ARG  58  -6.009  10.262  -7.514
  429   2HH1  ARG  58          2HH1      ARG  58  -7.014  11.664  -7.651
  430   1HH2  ARG  58          1HH2      ARG  58  -4.594  13.882  -6.448
  431   2HH2  ARG  58          2HH2      ARG  58  -6.213  13.720  -7.045
  432    H    CYS  59           H        CYS  59   1.853   7.163  -5.560
  433    HA   CYS  59           HA       CYS  59   1.979   5.482  -7.794
  434   1HB   CYS  59          2HB       CYS  59   4.097   4.771  -6.938
  435   2HB   CYS  59          1HB       CYS  59   3.922   6.482  -6.557
  436    H    ASN  60           H        ASN  60   0.849   4.942  -4.551
  437    HA   ASN  60           HA       ASN  60   0.721   2.049  -4.969
  438   1HB   ASN  60          2HB       ASN  60   0.023   1.981  -2.581
  439   2HB   ASN  60          1HB       ASN  60   1.593   2.750  -2.822
  440   1HD2  ASN  60          1HD2      ASN  60   0.712   3.360  -0.538
  441   2HD2  ASN  60          2HD2      ASN  60  -0.062   4.912  -0.460
  442    H    ASN  61           H        ASN  61  -0.986   3.900  -6.469
  443    HA   ASN  61           HA       ASN  61  -3.615   3.827  -5.383
  444   1HB   ASN  61          2HB       ASN  61  -4.264   4.454  -7.743
  445   2HB   ASN  61          1HB       ASN  61  -3.128   5.544  -6.960
  446   1HD2  ASN  61          1HD2      ASN  61  -2.977   6.023  -9.383
  447   2HD2  ASN  61          2HD2      ASN  61  -1.715   5.188 -10.234
  Start of MODEL   18
    1   1H    LEU   1          1HT       LEU   1   4.892  14.605  -0.350
    2   2H    LEU   1          2HT       LEU   1   4.104  15.725  -1.384
    3   3H    LEU   1          3HT       LEU   1   5.602  15.029  -1.850
    4    HA   LEU   1           HA       LEU   1   3.724  14.067  -2.996
    5   1HB   LEU   1          2HB       LEU   1   5.930  12.908  -2.170
    6   2HB   LEU   1          1HB       LEU   1   4.842  12.015  -1.126
    7    HG   LEU   1           HG       LEU   1   4.222  12.117  -4.039
    8   1HD1  LEU   1          1HD1      LEU   1   5.683   9.884  -3.979
    9   2HD1  LEU   1          2HD1      LEU   1   6.608  10.854  -2.834
   10   3HD1  LEU   1          3HD1      LEU   1   6.338  11.445  -4.474
   11   1HD2  LEU   1          1HD2      LEU   1   2.638  10.779  -3.207
   12   2HD2  LEU   1          2HD2      LEU   1   3.503  10.552  -1.687
   13   3HD2  LEU   1          3HD2      LEU   1   3.905   9.558  -3.087
   14    H    GLU   2           H        GLU   2   1.915  12.604  -2.879
   15    HA   GLU   2           HA       GLU   2   0.611  12.472  -0.250
   16   1HB   GLU   2          2HB       GLU   2  -0.219  14.053  -2.483
   17   2HB   GLU   2          1HB       GLU   2  -1.405  12.780  -2.232
   18   1HG   GLU   2          2HG       GLU   2  -1.958  13.531  -0.116
   19   2HG   GLU   2          1HG       GLU   2  -0.448  14.420   0.072
   20    H    CYS   3           H        CYS   3   1.009  10.287  -0.021
   21    HA   CYS   3           HA       CYS   3   0.389   8.419  -2.109
   22   1HB   CYS   3          2HB       CYS   3   0.916   7.777   0.789
   23   2HB   CYS   3          1HB       CYS   3   1.177   6.753  -0.619
   24    H    HIS   4           H        HIS   4  -0.769   6.325  -0.782
   25    HA   HIS   4           HA       HIS   4  -3.399   7.366   0.039
   26   1HB   HIS   4          2HB       HIS   4  -2.782   5.062  -1.818
   27   2HB   HIS   4          1HB       HIS   4  -4.377   5.345  -1.113
   28    HD1  HIS   4           1HD      HIS   4  -5.114   8.070  -1.589
   29    HD2  HIS   4           2HD      HIS   4  -2.668   6.090  -4.303
   30    HE1  HIS   4           1HE      HIS   4  -5.339   9.344  -3.743
   31    HE2  HIS   4           2HE      HIS   4  -3.969   8.038  -5.407
   32    H    ASN   5           H        ASN   5  -4.532   6.169   1.588
   33    HA   ASN   5           HA       ASN   5  -2.996   4.025   2.901
   34   1HB   ASN   5          2HB       ASN   5  -3.878   4.882   5.080
   35   2HB   ASN   5          1HB       ASN   5  -2.767   5.992   4.273
   36   1HD2  ASN   5          1HD2      ASN   5  -3.420   7.996   3.857
   37   2HD2  ASN   5          2HD2      ASN   5  -5.038   8.587   4.083
   38    H    GLN   6           H        GLN   6  -5.254   3.967   0.964
   39    HA   GLN   6           HA       GLN   6  -7.601   3.204   2.401
   40   1HB   GLN   6          2HB       GLN   6  -8.455   2.481   0.231
   41   2HB   GLN   6          1HB       GLN   6  -7.710   4.068   0.106
   42   1HG   GLN   6          2HG       GLN   6  -5.599   2.637  -0.567
   43   2HG   GLN   6          1HG       GLN   6  -6.838   1.465  -1.015
   44   1HE2  GLN   6          1HE2      GLN   6  -8.166   1.873  -2.744
   45   2HE2  GLN   6          2HE2      GLN   6  -7.895   3.177  -3.857
   46    H    GLN   7           H        GLN   7  -8.593   0.990   2.054
   47    HA   GLN   7           HA       GLN   7  -6.538  -1.047   2.562
   48   1HB   GLN   7          2HB       GLN   7  -8.759  -2.251   3.440
   49   2HB   GLN   7          1HB       GLN   7  -7.784  -1.203   4.457
   50   1HG   GLN   7          2HG       GLN   7  -9.296   0.569   4.275
   51   2HG   GLN   7          1HG       GLN   7 -10.097  -0.142   2.874
   52   1HE2  GLN   7          1HE2      GLN   7 -12.069   0.199   4.038
   53   2HE2  GLN   7          2HE2      GLN   7 -12.568  -0.937   5.252
   54    H    SER   8           H        SER   8  -6.193  -2.468   1.004
   55    HA   SER   8           HA       SER   8  -6.483  -3.850  -0.776
   56   1HB   SER   8          2HB       SER   8  -9.191  -3.781   0.460
   57   2HB   SER   8          1HB       SER   8  -9.066  -4.436  -1.178
   58    HG   SER   8           HG       SER   8  -8.437  -6.190  -0.217
   59    H    SER   9           H        SER   9  -9.568  -2.133  -1.110
   60    HA   SER   9           HA       SER   9  -8.525  -0.538  -3.302
   61   1HB   SER   9          2HB       SER   9  -9.523  -2.957  -3.990
   62   2HB   SER   9          1HB       SER   9 -11.002  -1.996  -4.016
   63    HG   SER   9           HG       SER   9  -9.310  -2.151  -5.929
   64    H    GLN  10           H        GLN  10 -11.428  -1.555  -1.525
   65    HA   GLN  10           HA       GLN  10 -12.992   0.701  -2.093
   66   1HB   GLN  10          2HB       GLN  10 -13.043  -1.471  -0.079
   67   2HB   GLN  10          1HB       GLN  10 -13.964  -0.018   0.307
   68   1HG   GLN  10          2HG       GLN  10 -14.374  -0.996  -2.411
   69   2HG   GLN  10          1HG       GLN  10 -14.864  -2.135  -1.155
   70   1HE2  GLN  10          1HE2      GLN  10 -15.073   1.349  -1.826
   71   2HE2  GLN  10          2HE2      GLN  10 -16.737   1.511  -1.355
   72    H    ALA  11           H        ALA  11 -13.833   1.949   0.072
   73    HA   ALA  11           HA       ALA  11 -13.381   3.815   1.307
   74   1HB   ALA  11          1HB       ALA  11 -11.306   3.266   2.922
   75   2HB   ALA  11          2HB       ALA  11 -11.699   1.637   2.373
   76   3HB   ALA  11          3HB       ALA  11 -12.928   2.620   3.171
   77    HA   PRO  12           HA       PRO  12  -9.979   5.013  -1.779
   78   1HB   PRO  12          2HB       PRO  12 -11.968   7.252  -1.816
   79   2HB   PRO  12          1HB       PRO  12 -10.997   6.587  -3.140
   80   1HG   PRO  12          2HG       PRO  12 -13.524   5.896  -2.975
   81   2HG   PRO  12          1HG       PRO  12 -12.293   4.643  -3.276
   82   1HD   PRO  12          2HD       PRO  12 -13.725   5.309  -0.724
   83   2HD   PRO  12          1HD       PRO  12 -13.337   3.715  -1.414
   84    H    THR  13           H        THR  13  -8.508   6.783  -1.595
   85    HA   THR  13           HA       THR  13  -8.794   8.572   0.682
   86    HB   THR  13           HB       THR  13  -6.460   7.983   1.456
   87    HG1  THR  13           1HG      THR  13  -5.540   6.767  -0.036
   88   1HG2  THR  13          1HG2      THR  13  -8.205   7.202   2.836
   89   2HG2  THR  13          2HG2      THR  13  -7.113   5.840   2.582
   90   3HG2  THR  13          3HG2      THR  13  -8.634   5.929   1.694
   91    H    THR  14           H        THR  14  -7.334  10.365   0.625
   92    HA   THR  14           HA       THR  14  -5.742  10.676  -1.807
   93    HB   THR  14           HB       THR  14  -7.810  12.704  -0.962
   94    HG1  THR  14           1HG      THR  14  -9.040  11.964  -2.605
   95   1HG2  THR  14          1HG2      THR  14  -7.391  13.657  -3.212
   96   2HG2  THR  14          2HG2      THR  14  -6.009  12.571  -3.363
   97   3HG2  THR  14          3HG2      THR  14  -6.029  13.804  -2.101
   98    H    LYS  15           H        LYS  15  -5.958  11.003   1.483
   99    HA   LYS  15           HA       LYS  15  -4.418  13.426   1.758
  100   1HB   LYS  15          2HB       LYS  15  -6.112  12.053   3.424
  101   2HB   LYS  15          1HB       LYS  15  -4.536  11.624   4.073
  102   1HG   LYS  15          2HG       LYS  15  -5.050  13.508   5.281
  103   2HG   LYS  15          1HG       LYS  15  -4.087  14.181   3.964
  104   1HD   LYS  15          2HD       LYS  15  -5.827  15.323   3.119
  105   2HD   LYS  15          1HD       LYS  15  -6.952  13.988   3.380
  106   1HE   LYS  15          2HE       LYS  15  -7.785  15.541   4.847
  107   2HE   LYS  15          1HE       LYS  15  -6.678  14.660   5.898
  108   1HZ   LYS  15          1HZ       LYS  15  -6.100  16.813   6.339
  109   2HZ   LYS  15          2HZ       LYS  15  -6.415  17.356   4.768
  110   3HZ   LYS  15          3HZ       LYS  15  -5.011  16.469   5.091
  111    H    THR  16           H        THR  16  -2.538  12.991   3.585
  112    HA   THR  16           HA       THR  16  -0.800  10.872   2.528
  113    HB   THR  16           HB       THR  16  -0.189  13.024   1.477
  114    HG1  THR  16           1HG      THR  16   1.436  11.468   1.966
  115   1HG2  THR  16          1HG2      THR  16   0.787  14.013   4.117
  116   2HG2  THR  16          2HG2      THR  16  -0.848  14.382   3.567
  117   3HG2  THR  16          3HG2      THR  16   0.541  14.894   2.609
  118    H    CYS  17           H        CYS  17   1.383  11.090   4.020
  119    HA   CYS  17           HA       CYS  17   0.407  10.477   6.691
  120   1HB   CYS  17          2HB       CYS  17   3.264  10.269   5.747
  121   2HB   CYS  17          1HB       CYS  17   2.484   9.399   7.071
  122    H    SER  18           H        SER  18   2.590  11.039   8.258
  123    HA   SER  18           HA       SER  18   2.186  13.730   8.928
  124   1HB   SER  18          2HB       SER  18   4.518  13.234  10.171
  125   2HB   SER  18          1HB       SER  18   2.976  12.611  10.756
  126    HG   SER  18           HG       SER  18   5.117  11.278   9.674
  127    H    GLY  19           H        GLY  19   4.489  12.189   6.806
  128   1HA   GLY  19          2HA       GLY  19   5.146  14.038   5.085
  129   2HA   GLY  19          1HA       GLY  19   5.969  14.705   6.494
  130    H    GLU  20           H        GLU  20   5.693  11.640   4.691
  131    HA   GLU  20           HA       GLU  20   8.482  11.053   5.367
  132   1HB   GLU  20          2HB       GLU  20   6.107   9.442   4.727
  133   2HB   GLU  20          1HB       GLU  20   7.590   8.879   3.957
  134   1HG   GLU  20          2HG       GLU  20   7.113   9.271   6.903
  135   2HG   GLU  20          1HG       GLU  20   7.294   7.741   6.046
  136    H    THR  21           H        THR  21   9.361   9.545   3.341
  137    HA   THR  21           HA       THR  21   9.389  11.425   1.084
  138    HB   THR  21           HB       THR  21  11.525   9.718   0.700
  139    HG1  THR  21           1HG      THR  21  11.359   8.821   2.734
  140   1HG2  THR  21          1HG2      THR  21  12.805  11.656   1.946
  141   2HG2  THR  21          2HG2      THR  21  11.241  12.456   1.793
  142   3HG2  THR  21          3HG2      THR  21  12.085  11.888   0.353
  143    H    ASN  22           H        ASN  22  10.100   7.965   1.440
  144    HA   ASN  22           HA       ASN  22   8.702   7.485  -1.087
  145   1HB   ASN  22          2HB       ASN  22  10.039   5.181   0.144
  146   2HB   ASN  22          1HB       ASN  22  10.167   5.821  -1.496
  147   1HD2  ASN  22          1HD2      ASN  22  11.693   5.431   1.457
  148   2HD2  ASN  22          2HD2      ASN  22  13.044   6.487   1.191
  149    H    CYS  23           H        CYS  23   7.113   5.909  -1.320
  150    HA   CYS  23           HA       CYS  23   5.856   4.993   1.180
  151   1HB   CYS  23          2HB       CYS  23   4.727   6.237  -1.281
  152   2HB   CYS  23          1HB       CYS  23   3.775   4.990  -0.481
  153    H    TYR  24           H        TYR  24   4.091   3.178   0.323
  154    HA   TYR  24           HA       TYR  24   5.173   1.486  -1.723
  155   1HB   TYR  24          2HB       TYR  24   5.731  -0.427  -0.344
  156   2HB   TYR  24          1HB       TYR  24   6.702   0.963   0.138
  157    HD1  TYR  24           1HD      TYR  24   6.829   1.523   2.388
  158    HD2  TYR  24           2HD      TYR  24   3.561  -0.842   1.047
  159    HE1  TYR  24           1HE      TYR  24   6.106   1.219   4.716
  160    HE2  TYR  24           2HE      TYR  24   2.826  -1.153   3.372
  161    HH   TYR  24           HH       TYR  24   3.640  -1.035   5.596
  162    H    LYS  25           H        LYS  25   4.089  -0.792  -1.490
  163    HA   LYS  25           HA       LYS  25   1.434  -0.761  -0.381
  164   1HB   LYS  25          2HB       LYS  25   1.253   0.500  -2.580
  165   2HB   LYS  25          1HB       LYS  25   1.672  -1.012  -3.382
  166   1HG   LYS  25          2HG       LYS  25  -0.302  -2.075  -2.533
  167   2HG   LYS  25          1HG       LYS  25  -0.689  -0.663  -1.547
  168   1HD   LYS  25          2HD       LYS  25  -1.597   0.441  -3.279
  169   2HD   LYS  25          1HD       LYS  25  -0.326  -0.071  -4.393
  170   1HE   LYS  25          2HE       LYS  25  -1.455  -2.355  -4.366
  171   2HE   LYS  25          1HE       LYS  25  -2.817  -1.549  -3.588
  172   1HZ   LYS  25          1HZ       LYS  25  -2.859  -1.784  -6.108
  173   2HZ   LYS  25          2HZ       LYS  25  -1.697  -0.555  -6.135
  174   3HZ   LYS  25          3HZ       LYS  25  -3.223  -0.262  -5.465
  175    H    LYS  26           H        LYS  26   1.033  -2.751   0.298
  176    HA   LYS  26           HA       LYS  26   2.414  -4.984  -1.039
  177   1HB   LYS  26          2HB       LYS  26   1.842  -5.964   1.441
  178   2HB   LYS  26          1HB       LYS  26   3.374  -5.277   0.960
  179   1HG   LYS  26          2HG       LYS  26   2.988  -3.281   2.063
  180   2HG   LYS  26          1HG       LYS  26   1.241  -3.523   2.081
  181   1HD   LYS  26          2HD       LYS  26   1.523  -5.364   3.681
  182   2HD   LYS  26          1HD       LYS  26   3.266  -5.096   3.673
  183   1HE   LYS  26          2HE       LYS  26   1.848  -2.642   4.208
  184   2HE   LYS  26          1HE       LYS  26   1.374  -3.902   5.345
  185   1HZ   LYS  26          1HZ       LYS  26   3.838  -4.289   5.652
  186   2HZ   LYS  26          2HZ       LYS  26   3.217  -2.855   6.300
  187   3HZ   LYS  26          3HZ       LYS  26   4.082  -2.821   4.847
  188    H    TRP  27           H        TRP  27   1.291  -6.848  -1.445
  189    HA   TRP  27           HA       TRP  27  -1.429  -7.101  -0.474
  190   1HB   TRP  27          2HB       TRP  27  -2.303  -7.561  -2.791
  191   2HB   TRP  27          1HB       TRP  27  -1.933  -5.886  -2.461
  192    HD1  TRP  27           HD       TRP  27  -1.147  -8.675  -4.710
  193    HE1  TRP  27           1HE      TRP  27   0.513  -7.926  -6.512
  194    HE3  TRP  27           3HE      TRP  27   0.190  -4.163  -2.748
  195    HZ2  TRP  27           2HZ      TRP  27   2.182  -5.715  -7.046
  196    HZ3  TRP  27           3HZ      TRP  27   1.819  -2.790  -3.969
  197    HH2  TRP  27           HH       TRP  27   2.796  -3.547  -6.071
  198    H    TRP  28           H        TRP  28  -2.424  -9.171  -1.151
  199    HA   TRP  28           HA       TRP  28  -0.634 -11.263  -2.035
  200   1HB   TRP  28          2HB       TRP  28  -1.034 -12.626   0.049
  201   2HB   TRP  28          1HB       TRP  28   0.006 -11.226   0.280
  202    HD1  TRP  28           HD       TRP  28  -3.366 -12.611   1.249
  203    HE1  TRP  28           1HE      TRP  28  -4.344 -11.145   3.092
  204    HE3  TRP  28           3HE      TRP  28   0.033  -8.796   1.176
  205    HZ2  TRP  28           2HZ      TRP  28  -3.783  -8.697   4.382
  206    HZ3  TRP  28           3HZ      TRP  28  -0.261  -6.926   2.749
  207    HH2  TRP  28           HH       TRP  28  -2.132  -6.880   4.319
  208    H    SER  29           H        SER  29  -1.839 -13.464  -1.723
  209    HA   SER  29           HA       SER  29  -4.635 -13.035  -2.543
  210   1HB   SER  29          2HB       SER  29  -2.547 -15.007  -3.409
  211   2HB   SER  29          1HB       SER  29  -4.257 -15.445  -3.523
  212    HG   SER  29           HG       SER  29  -4.589 -13.757  -4.914
  213    H    ASP  30           H        ASP  30  -6.031 -13.518  -0.986
  214    HA   ASP  30           HA       ASP  30  -5.307 -15.477   1.051
  215   1HB   ASP  30          2HB       ASP  30  -6.507 -13.063   1.286
  216   2HB   ASP  30          1HB       ASP  30  -7.928 -14.107   1.201
  217    H    HIS  31           H        HIS  31  -7.985 -16.215   1.749
  218    HA   HIS  31           HA       HIS  31  -8.344 -18.572   0.461
  219   1HB   HIS  31          2HB       HIS  31 -10.930 -18.072   0.980
  220   2HB   HIS  31          1HB       HIS  31  -9.768 -18.490   2.231
  221    HD1  HIS  31           1HD      HIS  31 -11.141 -17.223   4.013
  222    HD2  HIS  31           2HD      HIS  31  -9.789 -14.823   0.901
  223    HE1  HIS  31           1HE      HIS  31 -11.494 -14.857   4.786
  224    HE2  HIS  31           2HE      HIS  31 -10.745 -13.424   2.855
  225    H    ARG  32           H        ARG  32 -10.896 -16.219  -0.216
  226    HA   ARG  32           HA       ARG  32 -10.602 -16.846  -3.071
  227   1HB   ARG  32          2HB       ARG  32 -12.982 -16.709  -1.285
  228   2HB   ARG  32          1HB       ARG  32 -13.172 -16.180  -2.954
  229   1HG   ARG  32          2HG       ARG  32 -12.800 -18.284  -3.806
  230   2HG   ARG  32          1HG       ARG  32 -11.889 -18.808  -2.387
  231   1HD   ARG  32          2HD       ARG  32 -14.149 -19.846  -2.600
  232   2HD   ARG  32          1HD       ARG  32 -13.882 -18.985  -1.085
  233    HE   ARG  32           HE       ARG  32 -15.049 -17.124  -2.673
  234   1HH1  ARG  32          1HH1      ARG  32 -15.906 -20.379  -1.751
  235   2HH1  ARG  32          2HH1      ARG  32 -17.610 -20.094  -1.858
  236   1HH2  ARG  32          1HH2      ARG  32 -17.290 -16.747  -2.813
  237   2HH2  ARG  32          2HH2      ARG  32 -18.397 -18.031  -2.460
  238    H    GLY  33           H        GLY  33  -9.234 -14.687  -1.871
  239   1HA   GLY  33          2HA       GLY  33 -10.185 -12.544  -3.524
  240   2HA   GLY  33          1HA       GLY  33 -10.445 -12.224  -1.811
  241    H    THR  34           H        THR  34  -8.969 -10.395  -2.720
  242    HA   THR  34           HA       THR  34  -6.217 -11.113  -1.988
  243    HB   THR  34           HB       THR  34  -6.998  -9.320  -4.296
  244    HG1  THR  34           1HG      THR  34  -5.722 -11.851  -4.281
  245   1HG2  THR  34          1HG2      THR  34  -4.223 -10.253  -3.976
  246   2HG2  THR  34          2HG2      THR  34  -4.762  -8.984  -2.877
  247   3HG2  THR  34          3HG2      THR  34  -4.850  -8.736  -4.620
  248    H    ILE  35           H        ILE  35  -5.088  -9.564  -0.838
  249    HA   ILE  35           HA       ILE  35  -6.629  -7.165  -0.071
  250    HB   ILE  35           HB       ILE  35  -4.662  -8.604   1.703
  251   1HG1  ILE  35          2HG1      ILE  35  -7.686  -8.750   1.696
  252   2HG1  ILE  35          1HG1      ILE  35  -6.589 -10.057   1.259
  253   1HG2  ILE  35          1HG2      ILE  35  -4.854  -6.338   2.345
  254   2HG2  ILE  35          2HG2      ILE  35  -5.869  -7.251   3.462
  255   3HG2  ILE  35          3HG2      ILE  35  -6.605  -6.351   2.136
  256   1HD1  ILE  35          1HD1      ILE  35  -7.193 -10.586   3.420
  257   2HD1  ILE  35          2HD1      ILE  35  -7.176  -8.904   3.947
  258   3HD1  ILE  35          3HD1      ILE  35  -5.658  -9.748   3.648
  259    H    ILE  36           H        ILE  36  -5.379  -5.278   0.502
  260    HA   ILE  36           HA       ILE  36  -2.567  -5.242  -0.216
  261    HB   ILE  36           HB       ILE  36  -4.250  -3.215  -1.601
  262   1HG1  ILE  36          2HG1      ILE  36  -3.752  -6.003  -2.638
  263   2HG1  ILE  36          1HG1      ILE  36  -5.310  -5.270  -2.292
  264   1HG2  ILE  36          1HG2      ILE  36  -2.220  -3.830  -3.270
  265   2HG2  ILE  36          2HG2      ILE  36  -1.494  -4.167  -1.703
  266   3HG2  ILE  36          3HG2      ILE  36  -2.160  -2.573  -2.037
  267   1HD1  ILE  36          1HD1      ILE  36  -3.500  -4.876  -4.602
  268   2HD1  ILE  36          2HD1      ILE  36  -4.481  -3.510  -4.071
  269   3HD1  ILE  36          3HD1      ILE  36  -5.256  -5.020  -4.544
  270    H    GLU  37           H        GLU  37  -1.573  -4.026   1.321
  271    HA   GLU  37           HA       GLU  37  -3.140  -1.865   2.566
  272   1HB   GLU  37          2HB       GLU  37  -1.011  -2.214   4.247
  273   2HB   GLU  37          1HB       GLU  37  -2.597  -2.953   4.458
  274   1HG   GLU  37          2HG       GLU  37  -1.734  -4.921   3.160
  275   2HG   GLU  37          1HG       GLU  37  -0.134  -4.190   3.258
  276    H    ARG  38           H        ARG  38  -1.889   0.046   3.283
  277    HA   ARG  38           HA       ARG  38   0.259   0.662   1.359
  278   1HB   ARG  38          2HB       ARG  38  -1.413   2.798   2.631
  279   2HB   ARG  38          1HB       ARG  38  -0.537   2.834   1.109
  280   1HG   ARG  38          2HG       ARG  38  -2.772   0.909   1.300
  281   2HG   ARG  38          1HG       ARG  38  -3.192   2.621   1.270
  282   1HD   ARG  38          2HD       ARG  38  -1.904   2.903  -0.787
  283   2HD   ARG  38          1HD       ARG  38  -1.470   1.194  -0.754
  284    HE   ARG  38           HE       ARG  38  -3.906   2.318  -1.701
  285   1HH1  ARG  38          1HH1      ARG  38  -2.570  -0.483  -0.108
  286   2HH1  ARG  38          2HH1      ARG  38  -3.818  -1.548  -0.662
  287   1HH2  ARG  38          1HH2      ARG  38  -5.546   0.918  -2.435
  288   2HH2  ARG  38          2HH2      ARG  38  -5.507  -0.755  -1.984
  289    H    GLY  39           H        GLY  39   1.457   2.786   2.213
  290   1HA   GLY  39          2HA       GLY  39   1.803   3.131   4.986
  291   2HA   GLY  39          1HA       GLY  39   3.009   1.995   4.403
  292    H    CYS  40           H        CYS  40   4.147   4.064   5.426
  293    HA   CYS  40           HA       CYS  40   4.862   5.781   3.141
  294   1HB   CYS  40          2HB       CYS  40   3.909   6.530   5.784
  295   2HB   CYS  40          1HB       CYS  40   5.481   7.253   5.430
  296    H    GLY  41           H        GLY  41   6.519   4.159   2.762
  297   1HA   GLY  41          2HA       GLY  41   9.051   4.908   3.513
  298   2HA   GLY  41          1HA       GLY  41   8.575   3.691   4.697
  299    H    CYS  42           H        CYS  42  10.000   2.111   4.075
  300    HA   CYS  42           HA       CYS  42   9.233   0.559   1.787
  301   1HB   CYS  42          2HB       CYS  42  10.782   2.308   0.831
  302   2HB   CYS  42          1HB       CYS  42  12.066   1.616   1.826
  303    HA   PRO  43           HA       PRO  43  11.292  -1.643   5.383
  304   1HB   PRO  43          2HB       PRO  43   9.141  -2.691   6.594
  305   2HB   PRO  43          1HB       PRO  43   9.671  -1.031   6.916
  306   1HG   PRO  43          2HG       PRO  43   7.461  -2.010   5.147
  307   2HG   PRO  43          1HG       PRO  43   7.477  -0.630   6.263
  308   1HD   PRO  43          2HD       PRO  43   7.850  -0.425   3.546
  309   2HD   PRO  43          1HD       PRO  43   8.466   0.749   4.730
  310    H    LYS  44           H        LYS  44  10.457  -4.083   6.104
  311    HA   LYS  44           HA       LYS  44  10.440  -5.547   3.563
  312   1HB   LYS  44          2HB       LYS  44  12.052  -5.796   5.791
  313   2HB   LYS  44          1HB       LYS  44  10.904  -7.112   5.991
  314   1HG   LYS  44          2HG       LYS  44  12.892  -7.854   4.812
  315   2HG   LYS  44          1HG       LYS  44  11.470  -7.953   3.772
  316   1HD   LYS  44          2HD       LYS  44  12.268  -6.421   2.332
  317   2HD   LYS  44          1HD       LYS  44  12.902  -5.399   3.623
  318   1HE   LYS  44          2HE       LYS  44  14.319  -7.945   3.250
  319   2HE   LYS  44          1HE       LYS  44  14.428  -6.830   1.887
  320   1HZ   LYS  44          1HZ       LYS  44  15.656  -5.370   3.064
  321   2HZ   LYS  44          2HZ       LYS  44  16.067  -6.742   3.963
  322   3HZ   LYS  44          3HZ       LYS  44  14.869  -5.690   4.528
  323    H    VAL  45           H        VAL  45   9.505  -7.929   4.054
  324    HA   VAL  45           HA       VAL  45   6.924  -7.679   5.420
  325    HB   VAL  45           HB       VAL  45   5.733  -8.697   3.545
  326   1HG1  VAL  45          1HG1      VAL  45   6.706  -6.082   3.666
  327   2HG1  VAL  45          2HG1      VAL  45   5.304  -6.663   2.765
  328   3HG1  VAL  45          3HG1      VAL  45   6.881  -6.572   1.980
  329   1HG2  VAL  45          1HG2      VAL  45   6.961  -9.942   2.145
  330   2HG2  VAL  45          2HG2      VAL  45   8.445  -9.072   2.530
  331   3HG2  VAL  45          3HG2      VAL  45   7.330  -8.423   1.328
  332    H    LYS  46           H        LYS  46   6.319 -10.387   3.975
  333    HA   LYS  46           HA       LYS  46   8.232 -12.134   5.165
  334   1HB   LYS  46          2HB       LYS  46   6.673 -13.289   6.623
  335   2HB   LYS  46          1HB       LYS  46   6.765 -11.589   7.066
  336   1HG   LYS  46          2HG       LYS  46   4.688 -12.076   5.121
  337   2HG   LYS  46          1HG       LYS  46   4.472 -13.058   6.571
  338   1HD   LYS  46          2HD       LYS  46   5.061 -10.711   7.719
  339   2HD   LYS  46          1HD       LYS  46   4.339 -10.120   6.221
  340   1HE   LYS  46          2HE       LYS  46   2.558 -12.034   6.932
  341   2HE   LYS  46          1HE       LYS  46   3.101 -11.483   8.516
  342   1HZ   LYS  46          1HZ       LYS  46   2.433  -9.422   6.567
  343   2HZ   LYS  46          2HZ       LYS  46   2.164  -9.462   8.236
  344   3HZ   LYS  46          3HZ       LYS  46   1.141 -10.316   7.195
  345    HA   PRO  47           HA       PRO  47   7.597 -14.827   1.751
  346   1HB   PRO  47          2HB       PRO  47   6.895 -16.898   3.747
  347   2HB   PRO  47          1HB       PRO  47   8.114 -16.922   2.481
  348   1HG   PRO  47          2HG       PRO  47   8.547 -16.458   5.184
  349   2HG   PRO  47          1HG       PRO  47   9.699 -16.197   3.872
  350   1HD   PRO  47          2HD       PRO  47   8.496 -14.237   5.514
  351   2HD   PRO  47          1HD       PRO  47   9.501 -13.977   4.072
  352    H    GLY  48           H        GLY  48   5.853 -14.926   0.486
  353   1HA   GLY  48          2HA       GLY  48   3.696 -15.806  -0.043
  354   2HA   GLY  48          1HA       GLY  48   3.281 -15.721   1.668
  355    H    VAL  49           H        VAL  49   4.507 -12.953   1.751
  356    HA   VAL  49           HA       VAL  49   2.138 -11.562   0.718
  357    HB   VAL  49           HB       VAL  49   4.158 -10.515   2.700
  358   1HG1  VAL  49          1HG1      VAL  49   1.414  -9.508   2.744
  359   2HG1  VAL  49          2HG1      VAL  49   2.284  -9.155   1.252
  360   3HG1  VAL  49          3HG1      VAL  49   2.944  -8.636   2.802
  361   1HG2  VAL  49          1HG2      VAL  49   2.908 -12.609   3.419
  362   2HG2  VAL  49          2HG2      VAL  49   1.447 -11.621   3.381
  363   3HG2  VAL  49          3HG2      VAL  49   2.767 -11.203   4.473
  364    H    ASN  50           H        ASN  50   2.277  -9.929  -0.736
  365    HA   ASN  50           HA       ASN  50   4.896  -9.485  -1.965
  366   1HB   ASN  50          2HB       ASN  50   2.336  -8.395  -3.080
  367   2HB   ASN  50          1HB       ASN  50   3.797  -8.893  -3.932
  368   1HD2  ASN  50          1HD2      ASN  50   0.741  -9.637  -3.740
  369   2HD2  ASN  50          2HD2      ASN  50   0.789 -11.367  -3.881
  370    H    LEU  51           H        LEU  51   5.653  -7.379  -2.444
  371    HA   LEU  51           HA       LEU  51   4.322  -5.067  -1.389
  372   1HB   LEU  51          2HB       LEU  51   5.237  -5.886   0.670
  373   2HB   LEU  51          1HB       LEU  51   6.802  -6.156  -0.071
  374    HG   LEU  51           HG       LEU  51   6.770  -3.576  -0.465
  375   1HD1  LEU  51          1HD1      LEU  51   5.106  -3.581   2.008
  376   2HD1  LEU  51          2HD1      LEU  51   4.320  -3.607   0.429
  377   3HD1  LEU  51          3HD1      LEU  51   5.406  -2.283   0.853
  378   1HD2  LEU  51          1HD2      LEU  51   8.063  -5.153   1.227
  379   2HD2  LEU  51          2HD2      LEU  51   7.098  -4.257   2.402
  380   3HD2  LEU  51          3HD2      LEU  51   8.181  -3.394   1.307
  381    H    ASN  52           H        ASN  52   5.190  -3.135  -2.155
  382    HA   ASN  52           HA       ASN  52   7.707  -3.138  -3.573
  383   1HB   ASN  52          2HB       ASN  52   6.944  -2.771  -5.745
  384   2HB   ASN  52          1HB       ASN  52   5.853  -4.020  -5.157
  385   1HD2  ASN  52          1HD2      ASN  52   4.033  -2.688  -3.716
  386   2HD2  ASN  52          2HD2      ASN  52   3.180  -1.551  -4.697
  387    H    CYS  53           H        CYS  53   8.678  -1.259  -3.204
  388    HA   CYS  53           HA       CYS  53   7.180   0.951  -2.101
  389   1HB   CYS  53          2HB       CYS  53  10.133   0.885  -2.699
  390   2HB   CYS  53          1HB       CYS  53   9.280   1.869  -1.516
  391    H    CYS  54           H        CYS  54   7.452   3.135  -2.894
  392    HA   CYS  54           HA       CYS  54   8.430   3.617  -5.543
  393   1HB   CYS  54          2HB       CYS  54   6.080   4.510  -6.243
  394   2HB   CYS  54          1HB       CYS  54   6.450   2.796  -6.429
  395    H    ARG  55           H        ARG  55   8.374   5.753  -6.161
  396    HA   ARG  55           HA       ARG  55   7.988   7.611  -3.931
  397   1HB   ARG  55          2HB       ARG  55   9.928   8.517  -5.833
  398   2HB   ARG  55          1HB       ARG  55  10.117   8.188  -4.120
  399   1HG   ARG  55          2HG       ARG  55  10.328   5.730  -4.844
  400   2HG   ARG  55          1HG       ARG  55  10.634   6.398  -6.451
  401   1HD   ARG  55          2HD       ARG  55  12.230   6.722  -3.930
  402   2HD   ARG  55          1HD       ARG  55  12.758   6.126  -5.504
  403    HE   ARG  55           HE       ARG  55  11.931   8.740  -5.869
  404   1HH1  ARG  55          1HH1      ARG  55  14.398   7.049  -4.072
  405   2HH1  ARG  55          2HH1      ARG  55  15.516   8.371  -4.119
  406   1HH2  ARG  55          1HH2      ARG  55  13.401  10.482  -5.932
  407   2HH2  ARG  55          2HH2      ARG  55  14.951  10.320  -5.174
  408    H    THR  56           H        THR  56   5.974   7.044  -5.864
  409    HA   THR  56           HA       THR  56   5.894   9.611  -7.310
  410    HB   THR  56           HB       THR  56   4.113   7.658  -8.464
  411    HG1  THR  56           1HG      THR  56   5.475   6.044  -7.924
  412   1HG2  THR  56          1HG2      THR  56   5.690   9.753  -9.345
  413   2HG2  THR  56          2HG2      THR  56   4.696   8.683 -10.334
  414   3HG2  THR  56          3HG2      THR  56   6.404   8.319 -10.083
  415    H    ASP  57           H        ASP  57   3.829  10.617  -7.507
  416    HA   ASP  57           HA       ASP  57   2.271  10.490  -5.152
  417   1HB   ASP  57          2HB       ASP  57   2.575  12.280  -7.260
  418   2HB   ASP  57          1HB       ASP  57   0.902  11.732  -7.407
  419    H    ARG  58           H        ARG  58   0.618   9.215  -4.628
  420    HA   ARG  58           HA       ARG  58  -1.081   7.708  -4.763
  421   1HB   ARG  58          2HB       ARG  58  -1.333   8.678  -7.617
  422   2HB   ARG  58          1HB       ARG  58  -2.543   7.763  -6.722
  423   1HG   ARG  58          2HG       ARG  58  -2.621   9.671  -5.088
  424   2HG   ARG  58          1HG       ARG  58  -1.622  10.581  -6.222
  425   1HD   ARG  58          2HD       ARG  58  -3.546   9.719  -7.889
  426   2HD   ARG  58          1HD       ARG  58  -4.467   9.806  -6.389
  427    HE   ARG  58           HE       ARG  58  -3.061  12.187  -6.619
  428   1HH1  ARG  58          1HH1      ARG  58  -5.558  10.482  -8.360
  429   2HH1  ARG  58          2HH1      ARG  58  -6.294  11.925  -8.969
  430   1HH2  ARG  58          1HH2      ARG  58  -4.028  14.088  -7.418
  431   2HH2  ARG  58          2HH2      ARG  58  -5.426  13.974  -8.434
  432    H    CYS  59           H        CYS  59   1.701   7.006  -5.523
  433    HA   CYS  59           HA       CYS  59   1.676   5.160  -7.653
  434   1HB   CYS  59          2HB       CYS  59   3.842   4.543  -6.942
  435   2HB   CYS  59          1HB       CYS  59   3.692   6.259  -6.573
  436    H    ASN  60           H        ASN  60   0.661   4.954  -4.351
  437    HA   ASN  60           HA       ASN  60   0.375   2.033  -4.579
  438   1HB   ASN  60          2HB       ASN  60   0.104   2.066  -2.109
  439   2HB   ASN  60          1HB       ASN  60   1.662   2.709  -2.636
  440   1HD2  ASN  60          1HD2      ASN  60   1.040   3.343  -0.195
  441   2HD2  ASN  60          2HD2      ASN  60   0.482   4.981  -0.054
  442    H    ASN  61           H        ASN  61  -1.403   3.955  -5.854
  443    HA   ASN  61           HA       ASN  61  -3.781   4.287  -4.384
  444   1HB   ASN  61          2HB       ASN  61  -4.799   4.785  -6.560
  445   2HB   ASN  61          1HB       ASN  61  -3.260   5.613  -6.374
  446   1HD2  ASN  61          1HD2      ASN  61  -4.764   4.844  -8.777
  447   2HD2  ASN  61          2HD2      ASN  61  -3.670   3.882  -9.721