NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype
469554 1ahk cing 4-filtered-FRED Wattos check violation distance


data_1ahk


save_distance_constraint_statistics_1
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            1
    _Distance_constraint_stats_list.Constraint_count              862
    _Distance_constraint_stats_list.Viol_count                    91
    _Distance_constraint_stats_list.Viol_total                    6.741
    _Distance_constraint_stats_list.Viol_max                      0.413
    _Distance_constraint_stats_list.Viol_rms                      0.0355
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0078
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0741
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * Administrative tag
*  3 * Administrative tag
*  4 * ID of the restraint list.                                                              
*  5 * Number of restraints in list.                                                          
*  6 * Number of violated restraints (each model violation is used).                          
*  7 * Sum of violations in Angstrom.                                                         
*  8 * Maximum violation of a restraint without averaging in any way.                         
*  9 * Rms of violations over all restraints.                                                 
*  10 * Average violation over all restraints.                                                 
*  11 * Average violation over violated restraints.                                            
           This violation is averaged over only those models in which the restraint is violated.   
           These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).     
*  12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
*  13 * This tag                                                                               

Description of the tags in the per residue table below:
*  1 * Chain identifier (can be absent if none defined)                   
*  2 * Residue number                                                     
*  3 * Residue name                                                       
*  4 * Maximum violation in ensemble of models (without any averaging)
*  5 * Model number with the maximum violation
*  6 * Number of models with a violation above cutoff
*  7 * List of models (1 character per model) with a violation above cutoff.
           An '*' marks a violation above the cutoff. A '+' indicates the largest
           violation above the cutoff and a '-' marks the smallest violation over cutoff.
           For models  5, 15, 25,... a ' ' is replaced by a '.'.
           For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
*  8 * Administrative tag
*  9 * Administrative tag

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                                
           First node, FIRST member, first atom's:                              
*  2 * Chain identifier (can be absent if none defined)                   
*  3 * Residue number                                                     
*  4 * Residue name                                                       
*  5 * Name of (pseudo-)atom                                              
           First node, SECOND member, first atom's:                             
*  6 * Chain identifier (can be absent if none defined)                   
*  7 * Residue number                                                     
*  8 * Residue name                                                       
*  9 * Name of (pseudo-)atom                                              
           FIRST node's:
*  10 * Target distance value (Angstrom)
*  11 * Lower bound distance (Angstrom)
*  12 * Upper bound distance (Angstrom)
*  13 * Average distance in ensemble of models
*  14 * Minimum distance in ensemble of models
*  15 * Maximum distance in ensemble of models
*  16 * Maximum violation (without any averaging)
*  17 * Model number with the maximum violation
*  18 * Number of models with a violation above cutoff
*  19 * List of models with a violation above cutoff. See description above.
*  20 * Administrative tag
*  21 * Administrative tag
;


    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1   1 ASP 0.000 0.000 . 0 "[ ]" 
       1   2 GLN 0.058 0.058 1 0 "[ ]" 
       1   3 VAL 0.035 0.019 1 0 "[ ]" 
       1   4 ASP 0.000 0.000 . 0 "[ ]" 
       1   5 VAL 0.000 0.000 . 0 "[ ]" 
       1   6 LYS 0.027 0.027 1 0 "[ ]" 
       1   7 ASP 0.009 0.009 1 0 "[ ]" 
       1   8 CYS 0.000 0.000 . 0 "[ ]" 
       1   9 ALA 0.000 0.000 . 0 "[ ]" 
       1  10 ASN 0.000 0.000 . 0 "[ ]" 
       1  11 ASN 0.000 0.000 . 0 "[ ]" 
       1  12 GLU 0.000 0.000 . 0 "[ ]" 
       1  13 ILE 0.207 0.097 1 0 "[ ]" 
       1  14 LYS 0.097 0.097 1 0 "[ ]" 
       1  15 LYS 0.110 0.091 1 0 "[ ]" 
       1  16 VAL 0.000 0.000 . 0 "[ ]" 
       1  17 MET 0.100 0.058 1 0 "[ ]" 
       1  18 VAL 0.117 0.087 1 0 "[ ]" 
       1  19 ASP 0.000 0.000 . 0 "[ ]" 
       1  20 GLY 0.000 0.000 . 0 "[ ]" 
       1  21 CYS 0.590 0.305 1 0 "[ ]" 
       1  22 HIS 0.185 0.177 1 0 "[ ]" 
       1  23 GLY 0.212 0.177 1 0 "[ ]" 
       1  24 SER 0.011 0.011 1 0 "[ ]" 
       1  25 ASP 0.117 0.117 1 0 "[ ]" 
       1  26 PRO 0.117 0.117 1 0 "[ ]" 
       1  27 CYS 0.000 0.000 . 0 "[ ]" 
       1  28 ILE 0.000 0.000 . 0 "[ ]" 
       1  29 ILE 0.346 0.305 1 0 "[ ]" 
       1  30 HIS 0.241 0.241 1 0 "[ ]" 
       1  31 ARG 0.209 0.161 1 0 "[ ]" 
       1  32 GLY 0.000 0.000 . 0 "[ ]" 
       1  33 LYS 0.088 0.088 1 0 "[ ]" 
       1  34 PRO 0.000 0.000 . 0 "[ ]" 
       1  35 PHE 0.000 0.000 . 0 "[ ]" 
       1  36 THR 0.071 0.071 1 0 "[ ]" 
       1  37 LEU 0.100 0.087 1 0 "[ ]" 
       1  38 GLU 0.036 0.036 1 0 "[ ]" 
       1  39 ALA 0.042 0.042 1 0 "[ ]" 
       1  40 LEU 0.160 0.078 1 0 "[ ]" 
       1  41 PHE 0.330 0.252 1 0 "[ ]" 
       1  42 ASP 0.000 0.000 . 0 "[ ]" 
       1  43 ALA 0.232 0.216 1 0 "[ ]" 
       1  44 ASN 0.000 0.000 . 0 "[ ]" 
       1  45 GLN 0.242 0.181 1 0 "[ ]" 
       1  46 ASN 0.181 0.181 1 0 "[ ]" 
       1  47 THR 0.332 0.303 1 0 "[ ]" 
       1  48 LYS 0.027 0.024 1 0 "[ ]" 
       1  49 THR 0.000 0.000 . 0 "[ ]" 
       1  50 ALA 0.000 0.000 . 0 "[ ]" 
       1  51 LYS 0.320 0.209 1 0 "[ ]" 
       1  52 ILE 0.029 0.013 1 0 "[ ]" 
       1  53 GLU 0.000 0.000 . 0 "[ ]" 
       1  54 ILE 0.350 0.125 1 0 "[ ]" 
       1  55 LYS 0.152 0.114 1 0 "[ ]" 
       1  56 ALA 0.046 0.046 1 0 "[ ]" 
       1  57 SER 0.035 0.035 1 0 "[ ]" 
       1  58 LEU 0.438 0.177 1 0 "[ ]" 
       1  59 ASP 0.218 0.177 1 0 "[ ]" 
       1  60 GLY 0.000 0.000 . 0 "[ ]" 
       1  61 LEU 0.157 0.157 1 0 "[ ]" 
       1  62 GLU 0.013 0.013 1 0 "[ ]" 
       1  63 ILE 0.087 0.087 1 0 "[ ]" 
       1  64 ASP 0.121 0.087 1 0 "[ ]" 
       1  65 VAL 0.093 0.093 1 0 "[ ]" 
       1  66 PRO 0.061 0.061 1 0 "[ ]" 
       1  67 GLY 0.061 0.061 1 0 "[ ]" 
       1  68 ILE 0.000 0.000 . 0 "[ ]" 
       1  69 ASP 0.000 0.000 . 0 "[ ]" 
       1  70 THR 0.000 0.000 . 0 "[ ]" 
       1  71 ASN 0.036 0.036 1 0 "[ ]" 
       1  72 ALA 0.062 0.062 1 0 "[ ]" 
       1  73 CYS 0.090 0.090 1 0 "[ ]" 
       1  74 HIS 0.000 0.000 . 0 "[ ]" 
       1  75 PHE 0.000 0.000 . 0 "[ ]" 
       1  76 VAL 0.050 0.050 1 0 "[ ]" 
       1  77 LYS 0.050 0.050 1 0 "[ ]" 
       1  78 CYS 0.090 0.090 1 0 "[ ]" 
       1  79 PRO 0.003 0.003 1 0 "[ ]" 
       1  80 LEU 0.698 0.303 1 0 "[ ]" 
       1  81 VAL 0.433 0.357 1 0 "[ ]" 
       1  82 LYS 0.147 0.048 1 0 "[ ]" 
       1  83 GLY 0.035 0.035 1 0 "[ ]" 
       1  84 GLN 0.216 0.216 1 0 "[ ]" 
       1  85 GLN 0.000 0.000 . 0 "[ ]" 
       1  86 TYR 0.323 0.252 1 0 "[ ]" 
       1  87 ASP 0.011 0.009 1 0 "[ ]" 
       1  88 ILE 0.160 0.131 1 0 "[ ]" 
       1  89 LYS 0.195 0.131 1 0 "[ ]" 
       1  90 TYR 0.013 0.013 1 0 "[ ]" 
       1  91 THR 0.071 0.071 1 0 "[ ]" 
       1  92 TRP 0.073 0.073 1 0 "[ ]" 
       1  93 ASN 0.000 0.000 . 0 "[ ]" 
       1  94 VAL 0.160 0.088 1 0 "[ ]" 
       1  95 PRO 0.005 0.005 1 0 "[ ]" 
       1  96 LYS 0.000 0.000 . 0 "[ ]" 
       1  97 ILE 0.284 0.161 1 0 "[ ]" 
       1  98 ALA 0.043 0.043 1 0 "[ ]" 
       1  99 PRO 0.043 0.043 1 0 "[ ]" 
       1 100 LYS 0.173 0.159 1 0 "[ ]" 
       1 101 SER 0.039 0.039 1 0 "[ ]" 
       1 102 GLU 0.000 0.000 . 0 "[ ]" 
       1 103 ASN 0.039 0.039 1 0 "[ ]" 
       1 104 VAL 0.000 0.000 . 0 "[ ]" 
       1 105 VAL 0.000 0.000 . 0 "[ ]" 
       1 106 VAL 0.111 0.046 1 0 "[ ]" 
       1 107 THR 0.000 0.000 . 0 "[ ]" 
       1 108 VAL 0.241 0.125 1 0 "[ ]" 
       1 109 LYS 0.103 0.081 1 0 "[ ]" 
       1 110 LEU 0.011 0.010 1 0 "[ ]" 
       1 111 ILE 0.209 0.209 1 0 "[ ]" 
       1 112 GLY 0.002 0.002 1 0 "[ ]" 
       1 113 ASP 0.490 0.413 1 0 "[ ]" 
       1 114 ASN 0.529 0.413 1 0 "[ ]" 
       1 115 GLY 0.010 0.010 1 0 "[ ]" 
       1 116 VAL 0.002 0.002 1 0 "[ ]" 
       1 117 LEU 0.065 0.055 1 0 "[ ]" 
       1 118 ALA 0.008 0.008 1 0 "[ ]" 
       1 119 CYS 0.000 0.000 . 0 "[ ]" 
       1 120 ALA 0.000 0.000 . 0 "[ ]" 
       1 121 ILE 0.035 0.027 1 0 "[ ]" 
       1 122 ALA 0.042 0.031 1 0 "[ ]" 
       1 123 THR 0.000 0.000 . 0 "[ ]" 
       1 124 HIS 0.000 0.000 . 0 "[ ]" 
       1 125 GLY 0.000 0.000 . 0 "[ ]" 
       1 126 LYS 0.006 0.006 1 0 "[ ]" 
       1 127 ILE 0.000 0.000 . 0 "[ ]" 
       1 128 ARG 0.159 0.159 1 0 "[ ]" 
       1 129 ASP 0.000 0.000 . 0 "[ ]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

         1 1   1 ASP HA  1   2 GLN H   1.800 . 3.030 2.183 2.183 2.183     . 0 0 "[ ]" 1 
         2 1   1 ASP QB  1   2 GLN H   1.800 . 3.800 3.371 3.371 3.371     . 0 0 "[ ]" 1 
         3 1   1 ASP HA  1   2 GLN QG  1.800 . 3.880 3.479 3.479 3.479     . 0 0 "[ ]" 1 
         4 1   2 GLN H   1   2 GLN QB  1.800 . 3.460 2.728 2.728 2.728     . 0 0 "[ ]" 1 
         5 1   2 GLN H   1   2 GLN QG  1.800 . 4.410 1.808 1.808 1.808     . 0 0 "[ ]" 1 
         6 1   2 GLN HA  1   2 GLN QG  1.800 . 3.530 3.240 3.240 3.240     . 0 0 "[ ]" 1 
         7 1   2 GLN QB  1   2 GLN QG  1.800 . 3.750 2.090 2.090 2.090     . 0 0 "[ ]" 1 
         8 1   2 GLN HA  1   3 VAL H   1.800 . 2.930 2.599 2.599 2.599     . 0 0 "[ ]" 1 
         9 1   2 GLN QG  1   3 VAL H   1.800 . 4.050 3.659 3.659 3.659     . 0 0 "[ ]" 1 
        10 1   2 GLN HA  1  17 MET HA  1.800 . 2.500 2.558 2.558 2.558 0.058 1 0 "[ ]" 1 
        11 1   2 GLN HA  1  17 MET QG  1.800 . 3.830 2.777 2.777 2.777     . 0 0 "[ ]" 1 
        12 1   2 GLN QG  1  17 MET QG  1.800 . 4.180 3.256 3.256 3.256     . 0 0 "[ ]" 1 
        13 1   3 VAL H   1   3 VAL HB  1.800 . 3.580 3.555 3.555 3.555     . 0 0 "[ ]" 1 
        14 1   3 VAL H   1   3 VAL QG  1.800 . 3.880 2.206 2.206 2.206     . 0 0 "[ ]" 1 
        15 1   3 VAL HB  1   3 VAL QG  1.800 . 3.430 1.913 1.913 1.913     . 0 0 "[ ]" 1 
        16 1   3 VAL HA  1   4 ASP H   1.800 . 3.080 2.851 2.851 2.851     . 0 0 "[ ]" 1 
        17 1   3 VAL HB  1   4 ASP H   1.800 . 3.440 1.853 1.853 1.853     . 0 0 "[ ]" 1 
        18 1   3 VAL QG  1   4 ASP H   1.800 . 5.020 2.614 2.614 2.614     . 0 0 "[ ]" 1 
        19 1   3 VAL H   1  17 MET QB  1.800 . 4.420 4.016 4.016 4.016     . 0 0 "[ ]" 1 
        20 1   3 VAL QG  1  17 MET HA  1.800 . 4.700 3.092 3.092 3.092     . 0 0 "[ ]" 1 
        21 1   3 VAL QG  1  21 CYS QB  1.800 . 4.770 3.149 3.149 3.149     . 0 0 "[ ]" 1 
        22 1   3 VAL QG  1  22 HIS QB  1.800 . 5.060 3.421 3.421 3.421     . 0 0 "[ ]" 1 
        23 1   3 VAL HA  1  23 GLY H   1.800 . 3.520 3.539 3.539 3.539 0.019 1 0 "[ ]" 1 
        24 1   3 VAL QG  1  23 GLY H   1.800 . 5.050 1.784 1.784 1.784 0.016 1 0 "[ ]" 1 
        25 1   4 ASP H   1   4 ASP QB  1.800 . 3.710 2.399 2.399 2.399     . 0 0 "[ ]" 1 
        26 1   4 ASP HA  1   5 VAL H   1.800 . 2.850 2.556 2.556 2.556     . 0 0 "[ ]" 1 
        27 1   5 VAL H   1   5 VAL QG  1.800 . 3.890 1.861 1.861 1.861     . 0 0 "[ ]" 1 
        28 1   5 VAL HA  1   5 VAL HB  1.800 . 3.140 2.559 2.559 2.559     . 0 0 "[ ]" 1 
        29 1   5 VAL HA  1   5 VAL QG  1.800 . 3.680 2.124 2.124 2.124     . 0 0 "[ ]" 1 
        30 1   5 VAL HB  1   5 VAL QG  1.800 . 3.520 1.904 1.904 1.904     . 0 0 "[ ]" 1 
        31 1   5 VAL HA  1   6 LYS H   1.800 . 3.040 2.239 2.239 2.239     . 0 0 "[ ]" 1 
        32 1   5 VAL HB  1   6 LYS H   1.800 . 3.210 3.188 3.188 3.188     . 0 0 "[ ]" 1 
        33 1   5 VAL QG  1   6 LYS H   1.800 . 4.840 3.490 3.490 3.490     . 0 0 "[ ]" 1 
        34 1   5 VAL HB  1 120 ALA MB  1.800 . 3.440 2.875 2.875 2.875     . 0 0 "[ ]" 1 
        35 1   5 VAL HB  1 121 ILE H   1.800 . 3.810 2.883 2.883 2.883     . 0 0 "[ ]" 1 
        36 1   5 VAL QG  1 122 ALA HA  1.800 . 4.470 3.323 3.323 3.323     . 0 0 "[ ]" 1 
        37 1   6 LYS QB  1   6 LYS QG  1.800 . 3.560 2.100 2.100 2.100     . 0 0 "[ ]" 1 
        38 1   6 LYS QE  1   6 LYS QG  1.800 . 3.890 2.002 2.002 2.002     . 0 0 "[ ]" 1 
        39 1   6 LYS HA  1   7 ASP H   1.800 . 2.950 2.316 2.316 2.316     . 0 0 "[ ]" 1 
        40 1   6 LYS QB  1   7 ASP H   1.800 . 4.280 3.842 3.842 3.842     . 0 0 "[ ]" 1 
        41 1   6 LYS H   1 121 ILE HB  1.800 . 3.960 3.987 3.987 3.987 0.027 1 0 "[ ]" 1 
        42 1   6 LYS QB  1 121 ILE MD  1.800 . 4.320 2.867 2.867 2.867     . 0 0 "[ ]" 1 
        43 1   7 ASP H   1   7 ASP QB  1.800 . 3.350 2.716 2.716 2.716     . 0 0 "[ ]" 1 
        44 1   7 ASP HA  1   8 CYS H   1.800 . 2.830 2.455 2.455 2.455     . 0 0 "[ ]" 1 
        45 1   7 ASP QB  1   8 CYS H   1.800 . 3.680 2.463 2.463 2.463     . 0 0 "[ ]" 1 
        46 1   7 ASP HA  1 120 ALA HA  1.800 . 2.500 2.213 2.213 2.213     . 0 0 "[ ]" 1 
        47 1   7 ASP HA  1 120 ALA MB  1.800 . 4.080 3.333 3.333 3.333     . 0 0 "[ ]" 1 
        48 1   7 ASP HA  1 121 ILE H   1.800 . 3.930 3.939 3.939 3.939 0.009 1 0 "[ ]" 1 
        49 1   8 CYS H   1   9 ALA H   1.800 . 3.240 2.674 2.674 2.674     . 0 0 "[ ]" 1 
        50 1   8 CYS HA  1   9 ALA H   1.800 . 3.550 2.766 2.766 2.766     . 0 0 "[ ]" 1 
        51 1   8 CYS QB  1 116 VAL QG  1.800 . 4.870 2.349 2.349 2.349     . 0 0 "[ ]" 1 
        52 1   9 ALA H   1   9 ALA MB  1.800 . 3.890 2.128 2.128 2.128     . 0 0 "[ ]" 1 
        53 1   9 ALA MB  1  10 ASN H   1.800 . 3.320 2.023 2.023 2.023     . 0 0 "[ ]" 1 
        54 1   9 ALA MB  1  10 ASN QB  1.800 . 3.860 2.977 2.977 2.977     . 0 0 "[ ]" 1 
        55 1   9 ALA MB  1  13 ILE H   1.800 . 4.460 3.115 3.115 3.115     . 0 0 "[ ]" 1 
        56 1   9 ALA MB  1  41 PHE QB  1.800 . 3.710 2.799 2.799 2.799     . 0 0 "[ ]" 1 
        57 1   9 ALA MB  1 118 ALA MB  1.800 . 3.850 2.489 2.489 2.489     . 0 0 "[ ]" 1 
        58 1   9 ALA MB  1 119 CYS H   1.800 . 4.120 3.434 3.434 3.434     . 0 0 "[ ]" 1 
        59 1  10 ASN H   1  11 ASN H   1.800 . 3.940 1.863 1.863 1.863     . 0 0 "[ ]" 1 
        60 1  10 ASN HA  1  11 ASN H   1.800 . 3.470 2.912 2.912 2.912     . 0 0 "[ ]" 1 
        61 1  11 ASN H   1  12 GLU H   1.800 . 3.900 2.754 2.754 2.754     . 0 0 "[ ]" 1 
        62 1  12 GLU QB  1  12 GLU QG  1.800 . 3.840 2.050 2.050 2.050     . 0 0 "[ ]" 1 
        63 1  12 GLU HA  1  12 GLU QG  1.800 . 3.860 2.485 2.485 2.485     . 0 0 "[ ]" 1 
        64 1  12 GLU H   1  13 ILE H   1.800 . 3.790 1.928 1.928 1.928     . 0 0 "[ ]" 1 
        65 1  12 GLU QB  1  13 ILE H   1.800 . 4.160 3.150 3.150 3.150     . 0 0 "[ ]" 1 
        66 1  12 GLU QG  1  44 ASN QD  1.800 . 4.920 3.914 3.914 3.914     . 0 0 "[ ]" 1 
        67 1  13 ILE H   1  13 ILE HB  1.800 . 3.020 2.622 2.622 2.622     . 0 0 "[ ]" 1 
        68 1  13 ILE H   1  13 ILE QG  1.800 . 3.970 2.054 2.054 2.054     . 0 0 "[ ]" 1 
        69 1  13 ILE HA  1  13 ILE MG  1.800 . 3.860 2.317 2.317 2.317     . 0 0 "[ ]" 1 
        70 1  13 ILE HA  1  13 ILE QG  1.800 . 3.850 2.301 2.301 2.301     . 0 0 "[ ]" 1 
        71 1  13 ILE HA  1  14 LYS H   1.800 . 2.900 2.253 2.253 2.253     . 0 0 "[ ]" 1 
        72 1  13 ILE HB  1  14 LYS H   1.800 . 3.840 3.937 3.937 3.937 0.097 1 0 "[ ]" 1 
        73 1  13 ILE HA  1  15 LYS H   1.800 . 3.760 3.851 3.851 3.851 0.091 1 0 "[ ]" 1 
        74 1  13 ILE MG  1  15 LYS H   1.800 . 3.810 1.781 1.781 1.781 0.019 1 0 "[ ]" 1 
        75 1  13 ILE MG  1  16 VAL HB  1.800 . 3.730 2.018 2.018 2.018     . 0 0 "[ ]" 1 
        76 1  13 ILE MD  1  39 ALA MB  1.800 . 3.730 2.610 2.610 2.610     . 0 0 "[ ]" 1 
        77 1  13 ILE HA  1  41 PHE HA  1.800 . 2.500 2.046 2.046 2.046     . 0 0 "[ ]" 1 
        78 1  13 ILE HA  1  41 PHE QB  1.800 . 3.730 2.497 2.497 2.497     . 0 0 "[ ]" 1 
        79 1  13 ILE MG  1  41 PHE QB  1.800 . 4.640 3.313 3.313 3.313     . 0 0 "[ ]" 1 
        80 1  13 ILE QG  1  41 PHE QD  1.800 . 4.050 3.130 3.130 3.130     . 0 0 "[ ]" 1 
        81 1  13 ILE HA  1  42 ASP H   1.800 . 3.870 3.742 3.742 3.742     . 0 0 "[ ]" 1 
        82 1  13 ILE MD  1 119 CYS H   1.800 . 4.170 3.508 3.508 3.508     . 0 0 "[ ]" 1 
        83 1  14 LYS H   1  14 LYS QB  1.800 . 3.640 2.905 2.905 2.905     . 0 0 "[ ]" 1 
        84 1  14 LYS H   1  14 LYS QG  1.800 . 3.940 1.921 1.921 1.921     . 0 0 "[ ]" 1 
        85 1  14 LYS QB  1  14 LYS QG  1.800 . 3.800 2.087 2.087 2.087     . 0 0 "[ ]" 1 
        86 1  14 LYS QE  1  14 LYS QG  1.800 . 4.340 2.130 2.130 2.130     . 0 0 "[ ]" 1 
        87 1  14 LYS QB  1  14 LYS QD  1.800 . 3.910 2.285 2.285 2.285     . 0 0 "[ ]" 1 
        88 1  14 LYS QD  1  14 LYS QE  1.800 . 3.910 2.052 2.052 2.052     . 0 0 "[ ]" 1 
        89 1  14 LYS H   1  15 LYS H   1.800 . 3.060 2.122 2.122 2.122     . 0 0 "[ ]" 1 
        90 1  14 LYS QB  1  15 LYS H   1.800 . 3.490 3.114 3.114 3.114     . 0 0 "[ ]" 1 
        91 1  14 LYS QB  1  15 LYS QB  1.800 . 3.410 2.806 2.806 2.806     . 0 0 "[ ]" 1 
        92 1  14 LYS QG  1  41 PHE HA  1.800 . 3.840 2.554 2.554 2.554     . 0 0 "[ ]" 1 
        93 1  15 LYS QB  1  15 LYS QD  1.800 . 3.380 2.318 2.318 2.318     . 0 0 "[ ]" 1 
        94 1  15 LYS QD  1  15 LYS QG  1.800 . 2.760 2.015 2.015 2.015     . 0 0 "[ ]" 1 
        95 1  15 LYS QE  1  15 LYS QG  1.800 . 3.620 2.479 2.479 2.479     . 0 0 "[ ]" 1 
        96 1  15 LYS HA  1  16 VAL H   1.800 . 2.900 2.193 2.193 2.193     . 0 0 "[ ]" 1 
        97 1  15 LYS QB  1  16 VAL H   1.800 . 4.050 3.725 3.725 3.725     . 0 0 "[ ]" 1 
        98 1  15 LYS QG  1  16 VAL H   1.800 . 4.380 3.474 3.474 3.474     . 0 0 "[ ]" 1 
        99 1  15 LYS H   1  40 LEU H   1.800 . 3.620 3.093 3.093 3.093     . 0 0 "[ ]" 1 
       100 1  15 LYS QB  1  40 LEU H   1.800 . 4.210 3.822 3.822 3.822     . 0 0 "[ ]" 1 
       101 1  15 LYS QB  1  40 LEU QB  1.800 . 3.940 2.922 2.922 2.922     . 0 0 "[ ]" 1 
       102 1  15 LYS QE  1  40 LEU QD  1.800 . 5.010 2.512 2.512 2.512     . 0 0 "[ ]" 1 
       103 1  16 VAL H   1  16 VAL HB  1.800 . 3.370 3.206 3.206 3.206     . 0 0 "[ ]" 1 
       104 1  16 VAL H   1  16 VAL QG  1.800 . 4.540 1.912 1.912 1.912     . 0 0 "[ ]" 1 
       105 1  16 VAL HA  1  16 VAL QG  1.800 . 3.960 2.258 2.258 2.258     . 0 0 "[ ]" 1 
       106 1  16 VAL HB  1  16 VAL QG  1.800 . 3.620 1.888 1.888 1.888     . 0 0 "[ ]" 1 
       107 1  16 VAL HA  1  17 MET H   1.800 . 2.940 2.196 2.196 2.196     . 0 0 "[ ]" 1 
       108 1  16 VAL QG  1  17 MET H   1.800 . 4.160 2.847 2.847 2.847     . 0 0 "[ ]" 1 
       109 1  16 VAL HA  1  38 GLU QB  1.800 . 3.880 3.480 3.480 3.480     . 0 0 "[ ]" 1 
       110 1  16 VAL HA  1  39 ALA HA  1.800 . 2.500 1.914 1.914 1.914     . 0 0 "[ ]" 1 
       111 1  16 VAL QG  1  39 ALA HA  1.800 . 4.440 2.371 2.371 2.371     . 0 0 "[ ]" 1 
       112 1  17 MET H   1  17 MET QB  1.800 . 3.600 2.818 2.818 2.818     . 0 0 "[ ]" 1 
       113 1  17 MET H   1  17 MET QG  1.800 . 4.230 3.389 3.389 3.389     . 0 0 "[ ]" 1 
       114 1  17 MET HA  1  17 MET QG  1.800 . 3.760 2.372 2.372 2.372     . 0 0 "[ ]" 1 
       115 1  17 MET QB  1  17 MET QG  1.800 . 3.570 2.048 2.048 2.048     . 0 0 "[ ]" 1 
       116 1  17 MET HA  1  18 VAL H   1.800 . 2.900 2.686 2.686 2.686     . 0 0 "[ ]" 1 
       117 1  17 MET QB  1  18 VAL H   1.800 . 3.800 2.014 2.014 2.014     . 0 0 "[ ]" 1 
       118 1  17 MET H   1  39 ALA HA  1.800 . 3.680 3.722 3.722 3.722 0.042 1 0 "[ ]" 1 
       119 1  18 VAL H   1  18 VAL HB  1.800 . 3.340 3.370 3.370 3.370 0.030 1 0 "[ ]" 1 
       120 1  18 VAL H   1  18 VAL QG  1.800 . 4.460 2.324 2.324 2.324     . 0 0 "[ ]" 1 
       121 1  18 VAL HB  1  18 VAL QG  1.800 . 3.810 1.911 1.911 1.911     . 0 0 "[ ]" 1 
       122 1  18 VAL HA  1  19 ASP H   1.800 . 2.870 2.198 2.198 2.198     . 0 0 "[ ]" 1 
       123 1  18 VAL HB  1  19 ASP H   1.800 . 4.030 3.878 3.878 3.878     . 0 0 "[ ]" 1 
       124 1  18 VAL QG  1  19 ASP H   1.800 . 4.270 2.936 2.936 2.936     . 0 0 "[ ]" 1 
       125 1  18 VAL HB  1  21 CYS QB  1.800 . 3.490 2.728 2.728 2.728     . 0 0 "[ ]" 1 
       126 1  18 VAL QG  1  21 CYS QB  1.800 . 4.770 2.916 2.916 2.916     . 0 0 "[ ]" 1 
       127 1  18 VAL HA  1  37 LEU HA  1.800 . 2.500 2.206 2.206 2.206     . 0 0 "[ ]" 1 
       128 1  18 VAL QG  1  37 LEU HA  1.800 . 4.410 1.713 1.713 1.713 0.087 1 0 "[ ]" 1 
       129 1  19 ASP H   1  19 ASP QB  1.800 . 3.520 2.062 2.062 2.062     . 0 0 "[ ]" 1 
       130 1  19 ASP QB  1  35 PHE HA  1.800 . 3.980 2.183 2.183 2.183     . 0 0 "[ ]" 1 
       131 1  19 ASP QB  1  36 THR H   1.800 . 4.210 2.411 2.411 2.411     . 0 0 "[ ]" 1 
       132 1  19 ASP QB  1  36 THR HB  1.800 . 3.710 3.334 3.334 3.334     . 0 0 "[ ]" 1 
       133 1  19 ASP H   1  37 LEU HA  1.800 . 3.780 3.431 3.431 3.431     . 0 0 "[ ]" 1 
       134 1  20 GLY QA  1  21 CYS H   1.800 . 4.430 2.159 2.159 2.159     . 0 0 "[ ]" 1 
       135 1  21 CYS HA  1  22 HIS H   1.800 . 3.560 3.568 3.568 3.568 0.008 1 0 "[ ]" 1 
       136 1  21 CYS HA  1  29 ILE H   1.800 . 3.820 3.746 3.746 3.746     . 0 0 "[ ]" 1 
       137 1  21 CYS HA  1  29 ILE HB  1.800 . 3.330 3.635 3.635 3.635 0.305 1 0 "[ ]" 1 
       138 1  21 CYS QB  1  29 ILE MG  1.800 . 4.670 1.765 1.765 1.765 0.035 1 0 "[ ]" 1 
       139 1  21 CYS HA  1  30 HIS H   1.800 . 3.610 3.851 3.851 3.851 0.241 1 0 "[ ]" 1 
       140 1  22 HIS H   1  23 GLY H   1.800 . 3.720 3.897 3.897 3.897 0.177 1 0 "[ ]" 1 
       141 1  22 HIS HA  1  23 GLY H   1.800 . 3.250 2.168 2.168 2.168     . 0 0 "[ ]" 1 
       142 1  23 GLY QA  1  24 SER H   1.800 . 3.730 2.312 2.312 2.312     . 0 0 "[ ]" 1 
       143 1  24 SER QB  1  25 ASP H   1.800 . 4.370 1.834 1.834 1.834     . 0 0 "[ ]" 1 
       144 1  24 SER H   1 122 ALA HA  1.800 . 3.680 3.691 3.691 3.691 0.011 1 0 "[ ]" 1 
       145 1  25 ASP H   1  25 ASP QB  1.800 . 3.390 2.099 2.099 2.099     . 0 0 "[ ]" 1 
       146 1  25 ASP HA  1  26 PRO QD  1.800 . 3.130 2.409 2.409 2.409     . 0 0 "[ ]" 1 
       147 1  25 ASP QB  1  26 PRO QD  1.800 . 3.750 1.683 1.683 1.683 0.117 1 0 "[ ]" 1 
       148 1  25 ASP H   1  26 PRO QD  1.800 . 4.390 4.177 4.177 4.177     . 0 0 "[ ]" 1 
       149 1  26 PRO QD  1  26 PRO QG  1.800 . 4.040 1.968 1.968 1.968     . 0 0 "[ ]" 1 
       150 1  26 PRO HA  1  27 CYS H   1.800 . 2.960 2.325 2.325 2.325     . 0 0 "[ ]" 1 
       151 1  26 PRO QB  1  27 CYS H   1.800 . 4.380 3.879 3.879 3.879     . 0 0 "[ ]" 1 
       152 1  27 CYS H   1  27 CYS QB  1.800 . 3.730 2.340 2.340 2.340     . 0 0 "[ ]" 1 
       153 1  27 CYS HA  1  28 ILE H   1.800 . 2.810 2.251 2.251 2.251     . 0 0 "[ ]" 1 
       154 1  27 CYS QB  1 125 GLY QA  1.800 . 4.450 2.549 2.549 2.549     . 0 0 "[ ]" 1 
       155 1  28 ILE H   1  28 ILE HB  1.800 . 3.100 2.533 2.533 2.533     . 0 0 "[ ]" 1 
       156 1  28 ILE H   1  28 ILE MG  1.800 . 4.690 3.787 3.787 3.787     . 0 0 "[ ]" 1 
       157 1  28 ILE H   1  28 ILE QG  1.800 . 3.700 2.551 2.551 2.551     . 0 0 "[ ]" 1 
       158 1  28 ILE H   1  28 ILE MD  1.800 . 4.440 3.719 3.719 3.719     . 0 0 "[ ]" 1 
       159 1  28 ILE HA  1  28 ILE MG  1.800 . 3.520 2.259 2.259 2.259     . 0 0 "[ ]" 1 
       160 1  28 ILE HA  1  28 ILE MD  1.800 . 3.660 1.851 1.851 1.851     . 0 0 "[ ]" 1 
       161 1  28 ILE HB  1  28 ILE MD  1.800 . 3.500 3.138 3.138 3.138     . 0 0 "[ ]" 1 
       162 1  28 ILE HA  1  29 ILE H   1.800 . 2.860 2.237 2.237 2.237     . 0 0 "[ ]" 1 
       163 1  28 ILE MG  1  29 ILE H   1.800 . 3.950 2.054 2.054 2.054     . 0 0 "[ ]" 1 
       164 1  28 ILE HA  1  29 ILE QG  1.800 . 3.720 2.910 2.910 2.910     . 0 0 "[ ]" 1 
       165 1  28 ILE MG  1  29 ILE QG  1.800 . 4.450 3.494 3.494 3.494     . 0 0 "[ ]" 1 
       166 1  28 ILE HA  1 126 LYS H   1.800 . 3.620 2.494 2.494 2.494     . 0 0 "[ ]" 1 
       167 1  28 ILE MD  1 126 LYS QB  1.800 . 4.680 1.839 1.839 1.839     . 0 0 "[ ]" 1 
       168 1  28 ILE MG  1 128 ARG H   1.800 . 4.650 3.376 3.376 3.376     . 0 0 "[ ]" 1 
       169 1  28 ILE MG  1 128 ARG QB  1.800 . 4.230 3.126 3.126 3.126     . 0 0 "[ ]" 1 
       170 1  28 ILE MG  1 128 ARG QD  1.800 . 4.280 2.845 2.845 2.845     . 0 0 "[ ]" 1 
       171 1  28 ILE MD  1 128 ARG QD  1.800 . 4.460 3.325 3.325 3.325     . 0 0 "[ ]" 1 
       172 1  29 ILE H   1  29 ILE HB  1.800 . 3.220 3.007 3.007 3.007     . 0 0 "[ ]" 1 
       173 1  29 ILE H   1  29 ILE MG  1.800 . 4.680 3.791 3.791 3.791     . 0 0 "[ ]" 1 
       174 1  29 ILE H   1  29 ILE QG  1.800 . 3.720 1.861 1.861 1.861     . 0 0 "[ ]" 1 
       175 1  29 ILE H   1  29 ILE MD  1.800 . 4.380 3.622 3.622 3.622     . 0 0 "[ ]" 1 
       176 1  29 ILE HA  1  29 ILE MG  1.800 . 3.510 1.917 1.917 1.917     . 0 0 "[ ]" 1 
       177 1  29 ILE HA  1  29 ILE QG  1.800 . 3.840 2.711 2.711 2.711     . 0 0 "[ ]" 1 
       178 1  29 ILE HB  1  29 ILE MD  1.800 . 3.550 2.551 2.551 2.551     . 0 0 "[ ]" 1 
       179 1  29 ILE HA  1  29 ILE MD  1.800 . 4.320 3.760 3.760 3.760     . 0 0 "[ ]" 1 
       180 1  29 ILE HA  1  30 HIS H   1.800 . 2.870 2.436 2.436 2.436     . 0 0 "[ ]" 1 
       181 1  29 ILE MG  1  30 HIS H   1.800 . 3.920 2.290 2.290 2.290     . 0 0 "[ ]" 1 
       182 1  29 ILE MG  1  35 PHE QD  1.800 . 4.740 2.996 2.996 2.996     . 0 0 "[ ]" 1 
       183 1  29 ILE MD  1 125 GLY QA  1.800 . 4.710 3.274 3.274 3.274     . 0 0 "[ ]" 1 
       184 1  29 ILE H   1 126 LYS H   1.800 . 4.000 4.006 4.006 4.006 0.006 1 0 "[ ]" 1 
       185 1  29 ILE H   1 127 ILE HA  1.800 . 3.380 2.341 2.341 2.341     . 0 0 "[ ]" 1 
       186 1  29 ILE HB  1 127 ILE HA  1.800 . 3.100 3.077 3.077 3.077     . 0 0 "[ ]" 1 
       187 1  29 ILE HB  1 127 ILE QG  1.800 . 3.540 2.404 2.404 2.404     . 0 0 "[ ]" 1 
       188 1  30 HIS H   1  30 HIS QB  1.800 . 3.570 2.617 2.617 2.617     . 0 0 "[ ]" 1 
       189 1  30 HIS H   1  30 HIS HD2 1.800 . 3.960 2.178 2.178 2.178     . 0 0 "[ ]" 1 
       190 1  30 HIS HA  1  31 ARG H   1.800 . 2.740 2.368 2.368 2.368     . 0 0 "[ ]" 1 
       191 1  30 HIS QB  1  31 ARG H   1.800 . 4.170 2.504 2.504 2.504     . 0 0 "[ ]" 1 
       192 1  30 HIS QB  1  33 LYS QB  1.800 . 4.350 3.132 3.132 3.132     . 0 0 "[ ]" 1 
       193 1  30 HIS HA  1 128 ARG H   1.800 . 3.590 3.056 3.056 3.056     . 0 0 "[ ]" 1 
       194 1  31 ARG H   1  31 ARG QB  1.800 . 3.480 3.065 3.065 3.065     . 0 0 "[ ]" 1 
       195 1  31 ARG HA  1  31 ARG QG  1.800 . 3.400 3.126 3.126 3.126     . 0 0 "[ ]" 1 
       196 1  31 ARG QB  1  31 ARG QD  1.800 . 3.850 2.105 2.105 2.105     . 0 0 "[ ]" 1 
       197 1  31 ARG H   1  31 ARG QG  1.800 . 3.790 1.752 1.752 1.752 0.048 1 0 "[ ]" 1 
       198 1  31 ARG QB  1  31 ARG QG  1.800 . 3.870 2.100 2.100 2.100     . 0 0 "[ ]" 1 
       199 1  31 ARG QD  1  31 ARG QG  1.800 . 3.920 2.054 2.054 2.054     . 0 0 "[ ]" 1 
       200 1  31 ARG QB  1  32 GLY H   1.800 . 4.160 2.545 2.545 2.545     . 0 0 "[ ]" 1 
       201 1  31 ARG HA  1  32 GLY H   1.800 . 2.880 2.473 2.473 2.473     . 0 0 "[ ]" 1 
       202 1  31 ARG HA  1  94 VAL QG  1.800 . 3.810 2.833 2.833 2.833     . 0 0 "[ ]" 1 
       203 1  31 ARG QB  1  96 LYS HA  1.800 . 3.830 3.315 3.315 3.315     . 0 0 "[ ]" 1 
       204 1  31 ARG HA  1  97 ILE HB  1.800 . 3.140 3.301 3.301 3.301 0.161 1 0 "[ ]" 1 
       205 1  31 ARG QD  1  98 ALA H   1.800 . 4.330 2.966 2.966 2.966     . 0 0 "[ ]" 1 
       206 1  31 ARG QD  1  98 ALA MB  1.800 . 4.770 3.563 3.563 3.563     . 0 0 "[ ]" 1 
       207 1  31 ARG H   1 127 ILE MG  1.800 . 4.590 3.868 3.868 3.868     . 0 0 "[ ]" 1 
       208 1  31 ARG QB  1 127 ILE MG  1.800 . 4.660 3.168 3.168 3.168     . 0 0 "[ ]" 1 
       209 1  31 ARG QD  1 127 ILE MG  1.800 . 4.300 3.235 3.235 3.235     . 0 0 "[ ]" 1 
       210 1  31 ARG QG  1 127 ILE MG  1.800 . 4.700 2.720 2.720 2.720     . 0 0 "[ ]" 1 
       211 1  32 GLY QA  1  33 LYS H   1.800 . 3.800 2.934 2.934 2.934     . 0 0 "[ ]" 1 
       212 1  32 GLY H   1  96 LYS HA  1.800 . 3.630 2.940 2.940 2.940     . 0 0 "[ ]" 1 
       213 1  32 GLY QA  1  96 LYS HA  1.800 . 3.720 2.837 2.837 2.837     . 0 0 "[ ]" 1 
       214 1  32 GLY QA  1  96 LYS QG  1.800 . 4.400 3.509 3.509 3.509     . 0 0 "[ ]" 1 
       215 1  33 LYS H   1  33 LYS QB  1.800 . 3.620 2.583 2.583 2.583     . 0 0 "[ ]" 1 
       216 1  33 LYS H   1  33 LYS QG  1.800 . 4.470 3.678 3.678 3.678     . 0 0 "[ ]" 1 
       217 1  33 LYS HA  1  33 LYS QG  1.800 . 3.710 2.036 2.036 2.036     . 0 0 "[ ]" 1 
       218 1  33 LYS QB  1  33 LYS QG  1.800 . 3.890 2.092 2.092 2.092     . 0 0 "[ ]" 1 
       219 1  33 LYS QB  1  33 LYS QE  1.800 . 4.100 2.628 2.628 2.628     . 0 0 "[ ]" 1 
       220 1  33 LYS QE  1  33 LYS QG  1.800 . 3.850 1.971 1.971 1.971     . 0 0 "[ ]" 1 
       221 1  33 LYS QD  1  33 LYS QG  1.800 . 2.890 2.051 2.051 2.051     . 0 0 "[ ]" 1 
       222 1  33 LYS QD  1  33 LYS QE  1.800 . 4.280 2.056 2.056 2.056     . 0 0 "[ ]" 1 
       223 1  33 LYS HA  1  34 PRO QD  1.800 . 2.960 1.888 1.888 1.888     . 0 0 "[ ]" 1 
       224 1  33 LYS QG  1  34 PRO QD  1.800 . 4.290 2.464 2.464 2.464     . 0 0 "[ ]" 1 
       225 1  33 LYS QB  1  34 PRO QD  1.800 . 4.330 2.562 2.562 2.562     . 0 0 "[ ]" 1 
       226 1  33 LYS H   1  94 VAL HB  1.800 . 3.460 3.548 3.548 3.548 0.088 1 0 "[ ]" 1 
       227 1  34 PRO QD  1  34 PRO QG  1.800 . 3.470 1.974 1.974 1.974     . 0 0 "[ ]" 1 
       228 1  34 PRO HA  1  35 PHE H   1.800 . 2.980 2.205 2.205 2.205     . 0 0 "[ ]" 1 
       229 1  34 PRO QB  1  35 PHE H   1.800 . 4.430 3.645 3.645 3.645     . 0 0 "[ ]" 1 
       230 1  34 PRO QD  1  94 VAL HB  1.800 . 3.830 3.445 3.445 3.445     . 0 0 "[ ]" 1 
       231 1  35 PHE H   1  35 PHE QB  1.800 . 3.640 2.269 2.269 2.269     . 0 0 "[ ]" 1 
       232 1  35 PHE HA  1  36 THR H   1.800 . 2.830 2.688 2.688 2.688     . 0 0 "[ ]" 1 
       233 1  35 PHE QD  1  92 TRP HE3 1.800 . 3.140 2.817 2.817 2.817     . 0 0 "[ ]" 1 
       234 1  35 PHE H   1  94 VAL QG  1.800 . 5.230 1.808 1.808 1.808     . 0 0 "[ ]" 1 
       235 1  35 PHE QB  1  94 VAL QG  1.800 . 4.360 2.897 2.897 2.897     . 0 0 "[ ]" 1 
       236 1  36 THR H   1  36 THR HB  1.800 . 3.250 2.286 2.286 2.286     . 0 0 "[ ]" 1 
       237 1  36 THR H   1  36 THR MG  1.800 . 4.630 3.699 3.699 3.699     . 0 0 "[ ]" 1 
       238 1  36 THR HA  1  36 THR MG  1.800 . 3.630 2.489 2.489 2.489     . 0 0 "[ ]" 1 
       239 1  36 THR HA  1  37 LEU H   1.800 . 2.830 2.377 2.377 2.377     . 0 0 "[ ]" 1 
       240 1  36 THR MG  1  37 LEU H   1.800 . 4.110 3.429 3.429 3.429     . 0 0 "[ ]" 1 
       241 1  36 THR HA  1  91 THR HA  1.800 . 2.500 2.571 2.571 2.571 0.071 1 0 "[ ]" 1 
       242 1  37 LEU H   1  37 LEU QB  1.800 . 3.970 2.286 2.286 2.286     . 0 0 "[ ]" 1 
       243 1  37 LEU H   1  37 LEU HG  1.800 . 3.780 2.763 2.763 2.763     . 0 0 "[ ]" 1 
       244 1  37 LEU QB  1  37 LEU QD  1.800 . 4.690 1.842 1.842 1.842     . 0 0 "[ ]" 1 
       245 1  37 LEU QD  1  37 LEU HG  1.800 . 3.130 1.913 1.913 1.913     . 0 0 "[ ]" 1 
       246 1  37 LEU HA  1  38 GLU H   1.800 . 2.890 2.437 2.437 2.437     . 0 0 "[ ]" 1 
       247 1  37 LEU QB  1  38 GLU H   1.800 . 3.950 2.693 2.693 2.693     . 0 0 "[ ]" 1 
       248 1  37 LEU QD  1  38 GLU H   1.800 . 4.820 2.528 2.528 2.528     . 0 0 "[ ]" 1 
       249 1  37 LEU QD  1  90 TYR QB  1.800 . 5.320 1.787 1.787 1.787 0.013 1 0 "[ ]" 1 
       250 1  38 GLU H   1  38 GLU QB  1.800 . 3.660 2.883 2.883 2.883     . 0 0 "[ ]" 1 
       251 1  38 GLU HA  1  38 GLU QG  1.800 . 3.730 2.347 2.347 2.347     . 0 0 "[ ]" 1 
       252 1  38 GLU QB  1  38 GLU QG  1.800 . 3.260 2.106 2.106 2.106     . 0 0 "[ ]" 1 
       253 1  38 GLU HA  1  39 ALA H   1.800 . 2.850 2.655 2.655 2.655     . 0 0 "[ ]" 1 
       254 1  38 GLU QG  1  39 ALA H   1.800 . 4.250 3.784 3.784 3.784     . 0 0 "[ ]" 1 
       255 1  38 GLU HA  1  89 LYS HA  1.800 . 2.500 2.536 2.536 2.536 0.036 1 0 "[ ]" 1 
       256 1  38 GLU QG  1  89 LYS HA  1.800 . 3.880 3.465 3.465 3.465     . 0 0 "[ ]" 1 
       257 1  38 GLU QB  1  89 LYS QG  1.800 . 3.920 2.623 2.623 2.623     . 0 0 "[ ]" 1 
       258 1  38 GLU QG  1  89 LYS QG  1.800 . 4.460 1.856 1.856 1.856     . 0 0 "[ ]" 1 
       259 1  38 GLU HA  1  90 TYR H   1.800 . 3.980 3.555 3.555 3.555     . 0 0 "[ ]" 1 
       260 1  39 ALA H   1  39 ALA MB  1.800 . 3.690 3.040 3.040 3.040     . 0 0 "[ ]" 1 
       261 1  39 ALA HA  1  40 LEU H   1.800 . 2.750 2.207 2.207 2.207     . 0 0 "[ ]" 1 
       262 1  39 ALA MB  1  40 LEU H   1.800 . 4.080 3.451 3.451 3.451     . 0 0 "[ ]" 1 
       263 1  40 LEU H   1  40 LEU QB  1.800 . 3.420 2.278 2.278 2.278     . 0 0 "[ ]" 1 
       264 1  40 LEU H   1  40 LEU QD  1.800 . 4.710 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       265 1  40 LEU HA  1  40 LEU HG  1.800 . 2.940 2.964 2.964 2.964 0.024 1 0 "[ ]" 1 
       266 1  40 LEU HA  1  40 LEU QD  1.800 . 4.150 1.753 1.753 1.753 0.047 1 0 "[ ]" 1 
       267 1  40 LEU QB  1  40 LEU QD  1.800 . 4.600 1.969 1.969 1.969     . 0 0 "[ ]" 1 
       268 1  40 LEU HA  1  41 PHE H   1.800 . 2.680 2.553 2.553 2.553     . 0 0 "[ ]" 1 
       269 1  40 LEU HG  1  41 PHE H   1.800 . 3.670 3.748 3.748 3.748 0.078 1 0 "[ ]" 1 
       270 1  40 LEU QD  1  41 PHE H   1.800 . 5.170 3.605 3.605 3.605     . 0 0 "[ ]" 1 
       271 1  40 LEU QB  1  41 PHE H   1.800 . 3.960 2.201 2.201 2.201     . 0 0 "[ ]" 1 
       272 1  40 LEU HA  1  87 ASP HA  1.800 . 2.500 2.509 2.509 2.509 0.009 1 0 "[ ]" 1 
       273 1  40 LEU QD  1  87 ASP HA  1.800 . 4.510 2.207 2.207 2.207     . 0 0 "[ ]" 1 
       274 1  40 LEU QD  1  87 ASP QB  1.800 . 4.770 1.798 1.798 1.798 0.002 1 0 "[ ]" 1 
       275 1  40 LEU HA  1  88 ILE H   1.800 . 3.850 3.455 3.455 3.455     . 0 0 "[ ]" 1 
       276 1  40 LEU HA  1  88 ILE MG  1.800 . 4.340 3.679 3.679 3.679     . 0 0 "[ ]" 1 
       277 1  40 LEU QD  1  88 ILE H   1.800 . 4.750 3.059 3.059 3.059     . 0 0 "[ ]" 1 
       278 1  40 LEU QD  1  89 LYS QG  1.800 . 3.870 2.599 2.599 2.599     . 0 0 "[ ]" 1 
       279 1  40 LEU QD  1  89 LYS QE  1.800 . 4.950 2.746 2.746 2.746     . 0 0 "[ ]" 1 
       280 1  41 PHE H   1  41 PHE QD  1.800 . 3.850 3.372 3.372 3.372     . 0 0 "[ ]" 1 
       281 1  41 PHE H   1  41 PHE HA  1.800 . 3.070 2.830 2.830 2.830     . 0 0 "[ ]" 1 
       282 1  41 PHE HA  1  42 ASP H   1.800 . 2.910 2.244 2.244 2.244     . 0 0 "[ ]" 1 
       283 1  41 PHE QB  1  42 ASP H   1.800 . 3.700 2.823 2.823 2.823     . 0 0 "[ ]" 1 
       284 1  41 PHE QD  1  42 ASP H   1.800 . 4.460 4.107 4.107 4.107     . 0 0 "[ ]" 1 
       285 1  41 PHE QE  1  76 VAL QG  1.800 . 5.270 3.594 3.594 3.594     . 0 0 "[ ]" 1 
       286 1  41 PHE QE  1  80 LEU QD  1.800 . 5.020 2.038 2.038 2.038     . 0 0 "[ ]" 1 
       287 1  41 PHE QD  1  80 LEU QD  1.800 . 4.450 3.071 3.071 3.071     . 0 0 "[ ]" 1 
       288 1  41 PHE H   1  86 TYR H   1.800 . 3.420 3.672 3.672 3.672 0.252 1 0 "[ ]" 1 
       289 1  41 PHE QE  1  86 TYR QD  1.800 . 3.700 3.033 3.033 3.033     . 0 0 "[ ]" 1 
       290 1  41 PHE H   1  87 ASP HA  1.800 . 4.020 3.301 3.301 3.301     . 0 0 "[ ]" 1 
       291 1  41 PHE HZ  1  88 ILE MG  1.800 . 3.910 3.328 3.328 3.328     . 0 0 "[ ]" 1 
       292 1  41 PHE QD  1 117 LEU QD  1.800 . 4.900 3.279 3.279 3.279     . 0 0 "[ ]" 1 
       293 1  42 ASP H   1  42 ASP QB  1.800 . 3.490 2.393 2.393 2.393     . 0 0 "[ ]" 1 
       294 1  42 ASP HA  1  43 ALA H   1.800 . 2.820 2.097 2.097 2.097     . 0 0 "[ ]" 1 
       295 1  42 ASP QB  1  43 ALA H   1.800 . 4.160 3.785 3.785 3.785     . 0 0 "[ ]" 1 
       296 1  42 ASP HA  1  43 ALA MB  1.800 . 4.330 3.792 3.792 3.792     . 0 0 "[ ]" 1 
       297 1  42 ASP HA  1  85 GLN HA  1.800 . 2.500 1.808 1.808 1.808     . 0 0 "[ ]" 1 
       298 1  42 ASP HA  1  86 TYR H   1.800 . 3.800 2.664 2.664 2.664     . 0 0 "[ ]" 1 
       299 1  43 ALA H   1  43 ALA MB  1.800 . 3.390 1.955 1.955 1.955     . 0 0 "[ ]" 1 
       300 1  43 ALA HA  1  44 ASN H   1.800 . 3.020 2.207 2.207 2.207     . 0 0 "[ ]" 1 
       301 1  43 ALA MB  1  44 ASN H   1.800 . 4.510 3.346 3.346 3.346     . 0 0 "[ ]" 1 
       302 1  43 ALA MB  1  80 LEU QB  1.800 . 4.420 1.784 1.784 1.784 0.016 1 0 "[ ]" 1 
       303 1  43 ALA MB  1  80 LEU QD  1.800 . 4.980 2.384 2.384 2.384     . 0 0 "[ ]" 1 
       304 1  43 ALA MB  1  82 LYS HA  1.800 . 3.570 3.154 3.154 3.154     . 0 0 "[ ]" 1 
       305 1  43 ALA MB  1  83 GLY H   1.800 . 3.930 2.842 2.842 2.842     . 0 0 "[ ]" 1 
       306 1  43 ALA H   1  84 GLN H   1.800 . 3.970 4.186 4.186 4.186 0.216 1 0 "[ ]" 1 
       307 1  43 ALA MB  1  84 GLN H   1.800 . 3.810 2.484 2.484 2.484     . 0 0 "[ ]" 1 
       308 1  43 ALA H   1  85 GLN HA  1.800 . 3.660 2.501 2.501 2.501     . 0 0 "[ ]" 1 
       309 1  43 ALA H   1  86 TYR QD  1.800 . 3.940 3.691 3.691 3.691     . 0 0 "[ ]" 1 
       310 1  43 ALA MB  1  86 TYR QD  1.800 . 4.150 3.255 3.255 3.255     . 0 0 "[ ]" 1 
       311 1  43 ALA MB  1 117 LEU QD  1.800 . 5.010 2.855 2.855 2.855     . 0 0 "[ ]" 1 
       312 1  44 ASN H   1  45 GLN H   1.800 . 3.460 1.973 1.973 1.973     . 0 0 "[ ]" 1 
       313 1  44 ASN HA  1  45 GLN H   1.800 . 3.540 3.274 3.274 3.274     . 0 0 "[ ]" 1 
       314 1  44 ASN H   1 117 LEU QD  1.800 . 4.910 2.906 2.906 2.906     . 0 0 "[ ]" 1 
       315 1  44 ASN QD  1 117 LEU HA  1.800 . 4.010 3.389 3.389 3.389     . 0 0 "[ ]" 1 
       316 1  45 GLN H   1  45 GLN QG  1.800 . 3.440 1.862 1.862 1.862     . 0 0 "[ ]" 1 
       317 1  45 GLN QB  1  45 GLN QG  1.800 . 4.030 2.110 2.110 2.110     . 0 0 "[ ]" 1 
       318 1  45 GLN HA  1  45 GLN QG  1.800 . 3.670 3.300 3.300 3.300     . 0 0 "[ ]" 1 
       319 1  45 GLN QB  1  45 GLN QE  1.800 . 4.920 1.775 1.775 1.775 0.025 1 0 "[ ]" 1 
       320 1  45 GLN HA  1  46 ASN H   1.800 . 2.880 3.061 3.061 3.061 0.181 1 0 "[ ]" 1 
       321 1  45 GLN QB  1  46 ASN H   1.800 . 3.580 1.856 1.856 1.856     . 0 0 "[ ]" 1 
       322 1  45 GLN QG  1  81 VAL QG  1.800 . 4.990 3.359 3.359 3.359     . 0 0 "[ ]" 1 
       323 1  45 GLN QG  1  81 VAL HB  1.800 . 4.100 3.648 3.648 3.648     . 0 0 "[ ]" 1 
       324 1  45 GLN H   1  82 LYS HA  1.800 . 3.410 3.446 3.446 3.446 0.036 1 0 "[ ]" 1 
       325 1  45 GLN H   1  82 LYS QB  1.800 . 4.250 3.667 3.667 3.667     . 0 0 "[ ]" 1 
       326 1  45 GLN HA  1  82 LYS QD  1.800 . 3.840 3.478 3.478 3.478     . 0 0 "[ ]" 1 
       327 1  45 GLN QE  1 114 ASN H   1.800 . 4.410 2.810 2.810 2.810     . 0 0 "[ ]" 1 
       328 1  45 GLN QE  1 115 GLY H   1.800 . 4.140 2.803 2.803 2.803     . 0 0 "[ ]" 1 
       329 1  45 GLN H   1 117 LEU QD  1.800 . 4.460 2.869 2.869 2.869     . 0 0 "[ ]" 1 
       330 1  45 GLN QG  1 117 LEU QD  1.800 . 4.130 2.190 2.190 2.190     . 0 0 "[ ]" 1 
       331 1  45 GLN QE  1 117 LEU QD  1.800 . 4.970 2.232 2.232 2.232     . 0 0 "[ ]" 1 
       332 1  46 ASN H   1  46 ASN QB  1.800 . 3.500 3.214 3.214 3.214     . 0 0 "[ ]" 1 
       333 1  46 ASN HA  1  47 THR H   1.800 . 2.750 2.634 2.634 2.634     . 0 0 "[ ]" 1 
       334 1  46 ASN QB  1  47 THR H   1.800 . 4.240 3.933 3.933 3.933     . 0 0 "[ ]" 1 
       335 1  46 ASN HA  1  81 VAL HA  1.800 . 2.500 1.966 1.966 1.966     . 0 0 "[ ]" 1 
       336 1  46 ASN QB  1  81 VAL QG  1.800 . 4.830 3.267 3.267 3.267     . 0 0 "[ ]" 1 
       337 1  46 ASN HA  1  82 LYS H   1.800 . 3.390 2.404 2.404 2.404     . 0 0 "[ ]" 1 
       338 1  46 ASN HA  1  82 LYS QG  1.800 . 4.020 3.692 3.692 3.692     . 0 0 "[ ]" 1 
       339 1  47 THR H   1  47 THR HB  1.800 . 3.610 3.312 3.312 3.312     . 0 0 "[ ]" 1 
       340 1  47 THR H   1  47 THR MG  1.800 . 3.530 2.021 2.021 2.021     . 0 0 "[ ]" 1 
       341 1  47 THR HA  1  47 THR HB  1.800 . 2.890 2.459 2.459 2.459     . 0 0 "[ ]" 1 
       342 1  47 THR HA  1  47 THR MG  1.800 . 4.020 3.148 3.148 3.148     . 0 0 "[ ]" 1 
       343 1  47 THR HA  1  48 LYS H   1.800 . 2.730 2.221 2.221 2.221     . 0 0 "[ ]" 1 
       344 1  47 THR H   1  80 LEU H   1.800 . 3.540 3.843 3.843 3.843 0.303 1 0 "[ ]" 1 
       345 1  47 THR H   1  80 LEU QB  1.800 . 4.000 3.664 3.664 3.664     . 0 0 "[ ]" 1 
       346 1  47 THR MG  1  80 LEU H   1.800 . 3.940 2.812 2.812 2.812     . 0 0 "[ ]" 1 
       347 1  47 THR HA  1  81 VAL QG  1.800 . 4.450 3.374 3.374 3.374     . 0 0 "[ ]" 1 
       348 1  47 THR MG  1  81 VAL QG  1.800 . 4.130 2.631 2.631 2.631     . 0 0 "[ ]" 1 
       349 1  47 THR MG  1 112 GLY QA  1.800 . 4.150 1.877 1.877 1.877     . 0 0 "[ ]" 1 
       350 1  47 THR HB  1 113 ASP H   1.800 . 3.350 2.734 2.734 2.734     . 0 0 "[ ]" 1 
       351 1  47 THR MG  1 113 ASP H   1.800 . 4.130 2.069 2.069 2.069     . 0 0 "[ ]" 1 
       352 1  47 THR HB  1 114 ASN H   1.800 . 3.940 3.969 3.969 3.969 0.029 1 0 "[ ]" 1 
       353 1  47 THR HA  1 114 ASN QD  1.800 . 4.030 3.491 3.491 3.491     . 0 0 "[ ]" 1 
       354 1  47 THR MG  1 114 ASN QD  1.800 . 3.820 2.247 2.247 2.247     . 0 0 "[ ]" 1 
       355 1  48 LYS H   1  48 LYS QB  1.800 . 3.620 2.854 2.854 2.854     . 0 0 "[ ]" 1 
       356 1  48 LYS H   1  48 LYS QG  1.800 . 4.030 1.776 1.776 1.776 0.024 1 0 "[ ]" 1 
       357 1  48 LYS HA  1  48 LYS QG  1.800 . 3.670 3.257 3.257 3.257     . 0 0 "[ ]" 1 
       358 1  48 LYS QB  1  48 LYS QG  1.800 . 3.810 2.106 2.106 2.106     . 0 0 "[ ]" 1 
       359 1  48 LYS QD  1  48 LYS QG  1.800 . 2.490 2.022 2.022 2.022     . 0 0 "[ ]" 1 
       360 1  48 LYS QB  1  48 LYS QE  1.800 . 4.360 1.883 1.883 1.883     . 0 0 "[ ]" 1 
       361 1  48 LYS QE  1  48 LYS QG  1.800 . 3.710 2.306 2.306 2.306     . 0 0 "[ ]" 1 
       362 1  48 LYS QD  1  48 LYS QE  1.800 . 3.450 2.064 2.064 2.064     . 0 0 "[ ]" 1 
       363 1  48 LYS H   1  49 THR H   1.800 . 3.110 2.567 2.567 2.567     . 0 0 "[ ]" 1 
       364 1  48 LYS HA  1  49 THR H   1.800 . 3.730 3.430 3.430 3.430     . 0 0 "[ ]" 1 
       365 1  48 LYS QB  1  49 THR H   1.800 . 3.900 3.547 3.547 3.547     . 0 0 "[ ]" 1 
       366 1  48 LYS HA  1  79 PRO QB  1.800 . 3.150 1.797 1.797 1.797 0.003 1 0 "[ ]" 1 
       367 1  48 LYS QB  1  79 PRO HA  1.800 . 3.460 3.306 3.306 3.306     . 0 0 "[ ]" 1 
       368 1  48 LYS HA  1  79 PRO QG  1.800 . 3.980 3.785 3.785 3.785     . 0 0 "[ ]" 1 
       369 1  48 LYS HA  1  80 LEU H   1.800 . 3.530 3.292 3.292 3.292     . 0 0 "[ ]" 1 
       370 1  49 THR H   1  49 THR MG  1.800 . 3.970 2.248 2.248 2.248     . 0 0 "[ ]" 1 
       371 1  49 THR HA  1  49 THR HB  1.800 . 2.900 2.467 2.467 2.467     . 0 0 "[ ]" 1 
       372 1  49 THR HA  1  49 THR MG  1.800 . 3.440 2.414 2.414 2.414     . 0 0 "[ ]" 1 
       373 1  49 THR HA  1  50 ALA H   1.800 . 2.820 2.815 2.815 2.815     . 0 0 "[ ]" 1 
       374 1  49 THR HB  1  50 ALA H   1.800 . 3.070 1.919 1.919 1.919     . 0 0 "[ ]" 1 
       375 1  49 THR MG  1  50 ALA H   1.800 . 4.580 3.601 3.601 3.601     . 0 0 "[ ]" 1 
       376 1  50 ALA H   1  50 ALA MB  1.800 . 3.920 2.951 2.951 2.951     . 0 0 "[ ]" 1 
       377 1  50 ALA HA  1  51 LYS H   1.800 . 2.700 2.362 2.362 2.362     . 0 0 "[ ]" 1 
       378 1  50 ALA MB  1  72 ALA H   1.800 . 4.570 3.843 3.843 3.843     . 0 0 "[ ]" 1 
       379 1  50 ALA HA  1  72 ALA MB  1.800 . 4.130 3.441 3.441 3.441     . 0 0 "[ ]" 1 
       380 1  50 ALA MB  1  73 CYS H   1.800 . 4.560 3.874 3.874 3.874     . 0 0 "[ ]" 1 
       381 1  50 ALA HA  1 117 LEU QD  1.800 . 4.390 3.307 3.307 3.307     . 0 0 "[ ]" 1 
       382 1  51 LYS HA  1  51 LYS QG  1.800 . 4.040 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       383 1  51 LYS H   1  51 LYS QB  1.800 . 3.560 2.650 2.650 2.650     . 0 0 "[ ]" 1 
       384 1  51 LYS QB  1  51 LYS QG  1.800 . 2.890 2.087 2.087 2.087     . 0 0 "[ ]" 1 
       385 1  51 LYS QE  1  51 LYS QG  1.800 . 3.780 2.104 2.104 2.104     . 0 0 "[ ]" 1 
       386 1  51 LYS QD  1  51 LYS QE  1.800 . 3.360 2.106 2.106 2.106     . 0 0 "[ ]" 1 
       387 1  51 LYS HA  1  52 ILE H   1.800 . 2.780 2.793 2.793 2.793 0.013 1 0 "[ ]" 1 
       388 1  51 LYS QB  1  52 ILE H   1.800 . 4.010 1.939 1.939 1.939     . 0 0 "[ ]" 1 
       389 1  51 LYS QG  1  52 ILE H   1.800 . 4.300 3.937 3.937 3.937     . 0 0 "[ ]" 1 
       390 1  51 LYS HA  1  52 ILE MG  1.800 . 4.250 3.534 3.534 3.534     . 0 0 "[ ]" 1 
       391 1  51 LYS HA  1  71 ASN HA  1.800 . 2.500 2.536 2.536 2.536 0.036 1 0 "[ ]" 1 
       392 1  51 LYS HA  1  72 ALA H   1.800 . 3.120 3.182 3.182 3.182 0.062 1 0 "[ ]" 1 
       393 1  51 LYS HA  1  72 ALA MB  1.800 . 4.050 2.891 2.891 2.891     . 0 0 "[ ]" 1 
       394 1  51 LYS H   1 111 ILE H   1.800 . 3.390 2.964 2.964 2.964     . 0 0 "[ ]" 1 
       395 1  51 LYS QB  1 111 ILE H   1.800 . 4.150 2.542 2.542 2.542     . 0 0 "[ ]" 1 
       396 1  51 LYS H   1 111 ILE HB  1.800 . 3.610 3.819 3.819 3.819 0.209 1 0 "[ ]" 1 
       397 1  51 LYS QE  1 111 ILE HB  1.800 . 3.940 1.998 1.998 1.998     . 0 0 "[ ]" 1 
       398 1  51 LYS QG  1 112 GLY QA  1.800 . 4.340 3.481 3.481 3.481     . 0 0 "[ ]" 1 
       399 1  52 ILE H   1  52 ILE HB  1.800 . 3.460 3.466 3.466 3.466 0.006 1 0 "[ ]" 1 
       400 1  52 ILE H   1  52 ILE MG  1.800 . 3.540 2.663 2.663 2.663     . 0 0 "[ ]" 1 
       401 1  52 ILE HA  1  52 ILE HB  1.800 . 2.990 2.506 2.506 2.506     . 0 0 "[ ]" 1 
       402 1  52 ILE HA  1  52 ILE MG  1.800 . 4.190 3.193 3.193 3.193     . 0 0 "[ ]" 1 
       403 1  52 ILE HB  1  52 ILE MD  1.800 . 4.020 2.248 2.248 2.248     . 0 0 "[ ]" 1 
       404 1  52 ILE HA  1  52 ILE QG  1.800 . 3.720 2.233 2.233 2.233     . 0 0 "[ ]" 1 
       405 1  52 ILE HA  1  53 GLU H   1.800 . 2.880 2.282 2.282 2.282     . 0 0 "[ ]" 1 
       406 1  52 ILE MG  1  53 GLU H   1.800 . 4.210 3.505 3.505 3.505     . 0 0 "[ ]" 1 
       407 1  52 ILE QG  1  53 GLU H   1.800 . 3.860 2.116 2.116 2.116     . 0 0 "[ ]" 1 
       408 1  52 ILE MD  1  72 ALA MB  1.800 . 4.540 3.102 3.102 3.102     . 0 0 "[ ]" 1 
       409 1  52 ILE HA  1 110 LEU HA  1.800 . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 1 
       410 1  52 ILE HA  1 110 LEU QD  1.800 . 4.410 2.446 2.446 2.446     . 0 0 "[ ]" 1 
       411 1  52 ILE HB  1 110 LEU QD  1.800 . 4.340 2.818 2.818 2.818     . 0 0 "[ ]" 1 
       412 1  52 ILE HA  1 111 ILE H   1.800 . 4.020 3.299 3.299 3.299     . 0 0 "[ ]" 1 
       413 1  53 GLU QB  1  53 GLU QG  1.800 . 3.160 2.075 2.075 2.075     . 0 0 "[ ]" 1 
       414 1  53 GLU HA  1  54 ILE H   1.800 . 3.680 2.730 2.730 2.730     . 0 0 "[ ]" 1 
       415 1  53 GLU QB  1 109 LYS QB  1.800 . 3.760 2.141 2.141 2.141     . 0 0 "[ ]" 1 
       416 1  54 ILE HA  1  54 ILE MG  1.800 . 3.510 2.414 2.414 2.414     . 0 0 "[ ]" 1 
       417 1  54 ILE HA  1  54 ILE QG  1.800 . 3.530 2.773 2.773 2.773     . 0 0 "[ ]" 1 
       418 1  54 ILE HA  1  54 ILE MD  1.800 . 4.210 1.839 1.839 1.839     . 0 0 "[ ]" 1 
       419 1  54 ILE HA  1  55 LYS H   1.800 . 2.730 2.316 2.316 2.316     . 0 0 "[ ]" 1 
       420 1  54 ILE HB  1  55 LYS H   1.800 . 3.830 3.944 3.944 3.944 0.114 1 0 "[ ]" 1 
       421 1  54 ILE MG  1  55 LYS H   1.800 . 3.840 1.796 1.796 1.796 0.004 1 0 "[ ]" 1 
       422 1  54 ILE QG  1  55 LYS H   1.800 . 4.350 3.919 3.919 3.919     . 0 0 "[ ]" 1 
       423 1  54 ILE HB  1  65 VAL HB  1.800 . 3.270 2.718 2.718 2.718     . 0 0 "[ ]" 1 
       424 1  54 ILE HB  1  65 VAL QG  1.800 . 4.160 1.707 1.707 1.707 0.093 1 0 "[ ]" 1 
       425 1  54 ILE MG  1  65 VAL HB  1.800 . 4.170 3.531 3.531 3.531     . 0 0 "[ ]" 1 
       426 1  54 ILE QG  1  65 VAL QG  1.800 . 4.350 2.960 2.960 2.960     . 0 0 "[ ]" 1 
       427 1  54 ILE MG  1  90 TYR QE  1.800 . 4.550 2.492 2.492 2.492     . 0 0 "[ ]" 1 
       428 1  54 ILE HA  1 108 VAL HA  1.800 . 2.500 1.787 1.787 1.787 0.013 1 0 "[ ]" 1 
       429 1  54 ILE QG  1 108 VAL QG  1.800 . 4.960 1.675 1.675 1.675 0.125 1 0 "[ ]" 1 
       430 1  54 ILE HA  1 109 LYS H   1.800 . 3.820 3.433 3.433 3.433     . 0 0 "[ ]" 1 
       431 1  55 LYS H   1  55 LYS QB  1.800 . 3.850 2.810 2.810 2.810     . 0 0 "[ ]" 1 
       432 1  55 LYS QB  1  55 LYS QG  1.800 . 3.390 2.067 2.067 2.067     . 0 0 "[ ]" 1 
       433 1  55 LYS QB  1  55 LYS QE  1.800 . 4.060 1.844 1.844 1.844     . 0 0 "[ ]" 1 
       434 1  55 LYS QD  1  55 LYS QE  1.800 . 4.070 2.093 2.093 2.093     . 0 0 "[ ]" 1 
       435 1  55 LYS HA  1  56 ALA H   1.800 . 2.810 2.239 2.239 2.239     . 0 0 "[ ]" 1 
       436 1  55 LYS QB  1  56 ALA H   1.800 . 3.910 3.693 3.693 3.693     . 0 0 "[ ]" 1 
       437 1  55 LYS HA  1  64 ASP HA  1.800 . 2.500 2.534 2.534 2.534 0.034 1 0 "[ ]" 1 
       438 1  55 LYS QG  1  64 ASP HA  1.800 . 3.700 3.321 3.321 3.321     . 0 0 "[ ]" 1 
       439 1  55 LYS HA  1  65 VAL H   1.800 . 3.590 3.051 3.051 3.051     . 0 0 "[ ]" 1 
       440 1  55 LYS HA  1  65 VAL QG  1.800 . 4.490 3.173 3.173 3.173     . 0 0 "[ ]" 1 
       441 1  55 LYS QG  1  65 VAL HB  1.800 . 3.360 3.207 3.207 3.207     . 0 0 "[ ]" 1 
       442 1  55 LYS H   1 107 THR H   1.800 . 3.540 3.202 3.202 3.202     . 0 0 "[ ]" 1 
       443 1  55 LYS H   1 107 THR HB  1.800 . 3.580 3.501 3.501 3.501     . 0 0 "[ ]" 1 
       444 1  55 LYS QB  1 107 THR HB  1.800 . 3.470 2.094 2.094 2.094     . 0 0 "[ ]" 1 
       445 1  55 LYS QE  1 108 VAL HA  1.800 . 3.810 3.518 3.518 3.518     . 0 0 "[ ]" 1 
       446 1  56 ALA H   1  56 ALA MB  1.800 . 3.810 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       447 1  56 ALA HA  1  57 SER H   1.800 . 2.770 2.235 2.235 2.235     . 0 0 "[ ]" 1 
       448 1  56 ALA MB  1  57 SER H   1.800 . 3.990 3.224 3.224 3.224     . 0 0 "[ ]" 1 
       449 1  56 ALA H   1  63 ILE MD  1.800 . 4.610 3.912 3.912 3.912     . 0 0 "[ ]" 1 
       450 1  56 ALA H   1  65 VAL QG  1.800 . 4.960 3.738 3.738 3.738     . 0 0 "[ ]" 1 
       451 1  56 ALA HA  1 106 VAL HA  1.800 . 2.500 2.546 2.546 2.546 0.046 1 0 "[ ]" 1 
       452 1  56 ALA HA  1 106 VAL QG  1.800 . 4.430 3.111 3.111 3.111     . 0 0 "[ ]" 1 
       453 1  57 SER H   1  57 SER QB  1.800 . 3.770 2.469 2.469 2.469     . 0 0 "[ ]" 1 
       454 1  57 SER HA  1  58 LEU H   1.800 . 2.720 2.193 2.193 2.193     . 0 0 "[ ]" 1 
       455 1  57 SER HA  1  62 GLU HA  1.800 . 2.500 2.258 2.258 2.258     . 0 0 "[ ]" 1 
       456 1  57 SER QB  1  62 GLU HA  1.800 . 3.970 3.546 3.546 3.546     . 0 0 "[ ]" 1 
       457 1  57 SER HA  1  63 ILE H   1.800 . 3.660 2.989 2.989 2.989     . 0 0 "[ ]" 1 
       458 1  57 SER H   1 104 VAL QG  1.800 . 4.700 3.527 3.527 3.527     . 0 0 "[ ]" 1 
       459 1  57 SER H   1 105 VAL H   1.800 . 3.420 2.894 2.894 2.894     . 0 0 "[ ]" 1 
       460 1  57 SER QB  1 105 VAL H   1.800 . 4.160 3.493 3.493 3.493     . 0 0 "[ ]" 1 
       461 1  57 SER H   1 105 VAL QG  1.800 . 5.130 3.531 3.531 3.531     . 0 0 "[ ]" 1 
       462 1  57 SER QB  1 105 VAL HB  1.800 . 3.380 2.970 2.970 2.970     . 0 0 "[ ]" 1 
       463 1  57 SER H   1 106 VAL HA  1.800 . 3.720 3.755 3.755 3.755 0.035 1 0 "[ ]" 1 
       464 1  58 LEU H   1  58 LEU QB  1.800 . 3.650 2.536 2.536 2.536     . 0 0 "[ ]" 1 
       465 1  58 LEU H   1  58 LEU QD  1.800 . 4.820 3.595 3.595 3.595     . 0 0 "[ ]" 1 
       466 1  58 LEU HA  1  58 LEU QD  1.800 . 4.590 1.749 1.749 1.749 0.051 1 0 "[ ]" 1 
       467 1  58 LEU HA  1  59 ASP H   1.800 . 2.930 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       468 1  58 LEU HG  1  59 ASP H   1.800 . 3.930 3.971 3.971 3.971 0.041 1 0 "[ ]" 1 
       469 1  58 LEU QD  1  59 ASP H   1.800 . 4.700 1.623 1.623 1.623 0.177 1 0 "[ ]" 1 
       470 1  58 LEU H   1  61 LEU H   1.800 . 3.460 3.617 3.617 3.617 0.157 1 0 "[ ]" 1 
       471 1  58 LEU H   1  61 LEU QB  1.800 . 4.270 3.829 3.829 3.829     . 0 0 "[ ]" 1 
       472 1  58 LEU QB  1  61 LEU QB  1.800 . 3.890 1.861 1.861 1.861     . 0 0 "[ ]" 1 
       473 1  58 LEU QD  1  61 LEU QB  1.800 . 3.970 2.410 2.410 2.410     . 0 0 "[ ]" 1 
       474 1  58 LEU H   1  62 GLU HA  1.800 . 3.640 1.787 1.787 1.787 0.013 1 0 "[ ]" 1 
       475 1  58 LEU QB  1  63 ILE QG  1.800 . 3.820 3.296 3.296 3.296     . 0 0 "[ ]" 1 
       476 1  58 LEU QD  1 101 SER QB  1.800 . 5.140 3.073 3.073 3.073     . 0 0 "[ ]" 1 
       477 1  59 ASP H   1  59 ASP HA  1.800 . 3.010 2.784 2.784 2.784     . 0 0 "[ ]" 1 
       478 1  59 ASP H   1  60 GLY H   1.800 . 3.840 3.149 3.149 3.149     . 0 0 "[ ]" 1 
       479 1  60 GLY H   1  61 LEU H   1.800 . 3.540 2.674 2.674 2.674     . 0 0 "[ ]" 1 
       480 1  60 GLY QA  1  61 LEU H   1.800 . 4.100 2.916 2.916 2.916     . 0 0 "[ ]" 1 
       481 1  61 LEU H   1  61 LEU QB  1.800 . 3.500 2.728 2.728 2.728     . 0 0 "[ ]" 1 
       482 1  61 LEU QB  1  61 LEU QD  1.800 . 5.210 2.033 2.033 2.033     . 0 0 "[ ]" 1 
       483 1  61 LEU HA  1  62 GLU H   1.800 . 2.630 2.398 2.398 2.398     . 0 0 "[ ]" 1 
       484 1  61 LEU QB  1  62 GLU H   1.800 . 4.340 3.925 3.925 3.925     . 0 0 "[ ]" 1 
       485 1  61 LEU QD  1  62 GLU H   1.800 . 4.880 3.167 3.167 3.167     . 0 0 "[ ]" 1 
       486 1  62 GLU H   1  62 GLU QB  1.800 . 3.210 2.226 2.226 2.226     . 0 0 "[ ]" 1 
       487 1  62 GLU H   1  62 GLU QG  1.800 . 4.150 2.770 2.770 2.770     . 0 0 "[ ]" 1 
       488 1  62 GLU QB  1  62 GLU QG  1.800 . 3.030 2.090 2.090 2.090     . 0 0 "[ ]" 1 
       489 1  62 GLU HA  1  63 ILE H   1.800 . 2.730 2.550 2.550 2.550     . 0 0 "[ ]" 1 
       490 1  63 ILE H   1  63 ILE HB  1.800 . 3.440 2.855 2.855 2.855     . 0 0 "[ ]" 1 
       491 1  63 ILE H   1  63 ILE QG  1.800 . 4.020 1.979 1.979 1.979     . 0 0 "[ ]" 1 
       492 1  63 ILE HA  1  64 ASP H   1.800 . 2.700 2.458 2.458 2.458     . 0 0 "[ ]" 1 
       493 1  63 ILE MG  1  64 ASP H   1.800 . 4.180 1.802 1.802 1.802     . 0 0 "[ ]" 1 
       494 1  63 ILE HB  1  64 ASP H   1.800 . 3.360 3.447 3.447 3.447 0.087 1 0 "[ ]" 1 
       495 1  63 ILE MG  1  90 TYR QD  1.800 . 4.650 2.485 2.485 2.485     . 0 0 "[ ]" 1 
       496 1  63 ILE MD  1  90 TYR HA  1.800 . 4.130 3.786 3.786 3.786     . 0 0 "[ ]" 1 
       497 1  63 ILE MD  1  90 TYR QD  1.800 . 4.600 2.594 2.594 2.594     . 0 0 "[ ]" 1 
       498 1  64 ASP H   1  64 ASP QB  1.800 . 3.300 2.915 2.915 2.915     . 0 0 "[ ]" 1 
       499 1  64 ASP HA  1  65 VAL H   1.800 . 2.790 2.272 2.272 2.272     . 0 0 "[ ]" 1 
       500 1  64 ASP QB  1  65 VAL H   1.800 . 4.120 3.088 3.088 3.088     . 0 0 "[ ]" 1 
       501 1  64 ASP HA  1  65 VAL QG  1.800 . 4.650 3.352 3.352 3.352     . 0 0 "[ ]" 1 
       502 1  65 VAL H   1  65 VAL HB  1.800 . 3.070 2.840 2.840 2.840     . 0 0 "[ ]" 1 
       503 1  65 VAL H   1  65 VAL QG  1.800 . 3.860 2.845 2.845 2.845     . 0 0 "[ ]" 1 
       504 1  65 VAL HA  1  65 VAL QG  1.800 . 3.850 1.994 1.994 1.994     . 0 0 "[ ]" 1 
       505 1  65 VAL HB  1  65 VAL QG  1.800 . 3.510 1.900 1.900 1.900     . 0 0 "[ ]" 1 
       506 1  65 VAL HA  1  66 PRO QD  1.800 . 3.130 2.070 2.070 2.070     . 0 0 "[ ]" 1 
       507 1  65 VAL QG  1  66 PRO QD  1.800 . 4.690 3.150 3.150 3.150     . 0 0 "[ ]" 1 
       508 1  65 VAL QG  1  68 ILE HB  1.800 . 4.550 3.347 3.347 3.347     . 0 0 "[ ]" 1 
       509 1  65 VAL QG  1  68 ILE QG  1.800 . 4.440 2.975 2.975 2.975     . 0 0 "[ ]" 1 
       510 1  66 PRO QD  1  66 PRO QG  1.800 . 3.750 1.970 1.970 1.970     . 0 0 "[ ]" 1 
       511 1  66 PRO HA  1  67 GLY H   1.800 . 3.230 3.291 3.291 3.291 0.061 1 0 "[ ]" 1 
       512 1  66 PRO QB  1  67 GLY H   1.800 . 4.070 3.688 3.688 3.688     . 0 0 "[ ]" 1 
       513 1  67 GLY H   1  68 ILE H   1.800 . 3.810 1.837 1.837 1.837     . 0 0 "[ ]" 1 
       514 1  68 ILE H   1  68 ILE MG  1.800 . 4.420 3.747 3.747 3.747     . 0 0 "[ ]" 1 
       515 1  68 ILE H   1  68 ILE QG  1.800 . 3.950 2.165 2.165 2.165     . 0 0 "[ ]" 1 
       516 1  69 ASP HA  1  70 THR H   1.800 . 3.010 2.804 2.804 2.804     . 0 0 "[ ]" 1 
       517 1  69 ASP QB  1  73 CYS QB  1.800 . 4.340 3.484 3.484 3.484     . 0 0 "[ ]" 1 
       518 1  69 ASP QB  1  75 PHE QE  1.800 . 4.400 2.371 2.371 2.371     . 0 0 "[ ]" 1 
       519 1  70 THR H   1  70 THR HA  1.800 . 3.040 2.992 2.992 2.992     . 0 0 "[ ]" 1 
       520 1  70 THR H   1  70 THR MG  1.800 . 4.000 2.999 2.999 2.999     . 0 0 "[ ]" 1 
       521 1  70 THR H   1  71 ASN H   1.800 . 3.330 1.871 1.871 1.871     . 0 0 "[ ]" 1 
       522 1  71 ASN H   1  71 ASN QB  1.800 . 3.460 3.003 3.003 3.003     . 0 0 "[ ]" 1 
       523 1  71 ASN HA  1  72 ALA H   1.800 . 2.730 2.495 2.495 2.495     . 0 0 "[ ]" 1 
       524 1  71 ASN HA  1  72 ALA MB  1.800 . 4.000 3.536 3.536 3.536     . 0 0 "[ ]" 1 
       525 1  72 ALA H   1  72 ALA MB  1.800 . 3.370 2.663 2.663 2.663     . 0 0 "[ ]" 1 
       526 1  72 ALA H   1  73 CYS H   1.800 . 3.300 2.892 2.892 2.892     . 0 0 "[ ]" 1 
       527 1  72 ALA HA  1  73 CYS H   1.800 . 3.790 2.957 2.957 2.957     . 0 0 "[ ]" 1 
       528 1  72 ALA MB  1  73 CYS H   1.800 . 4.110 3.543 3.543 3.543     . 0 0 "[ ]" 1 
       529 1  72 ALA HA  1  75 PHE H   1.800 . 3.910 3.554 3.554 3.554     . 0 0 "[ ]" 1 
       530 1  72 ALA HA  1  75 PHE QD  1.800 . 3.660 3.351 3.351 3.351     . 0 0 "[ ]" 1 
       531 1  72 ALA MB  1 110 LEU QD  1.800 . 4.510 1.861 1.861 1.861     . 0 0 "[ ]" 1 
       532 1  73 CYS H   1  73 CYS QB  1.800 . 3.360 2.335 2.335 2.335     . 0 0 "[ ]" 1 
       533 1  73 CYS H   1  74 HIS H   1.800 . 3.470 2.328 2.328 2.328     . 0 0 "[ ]" 1 
       534 1  73 CYS HA  1  74 HIS H   1.800 . 3.970 3.575 3.575 3.575     . 0 0 "[ ]" 1 
       535 1  73 CYS HA  1  76 VAL H   1.800 . 3.450 3.099 3.099 3.099     . 0 0 "[ ]" 1 
       536 1  73 CYS HA  1  76 VAL QG  1.800 . 4.300 3.299 3.299 3.299     . 0 0 "[ ]" 1 
       537 1  73 CYS QB  1  78 CYS QB  1.800 . 3.940 1.710 1.710 1.710 0.090 1 0 "[ ]" 1 
       538 1  74 HIS H   1  74 HIS QB  1.800 . 3.570 2.166 2.166 2.166     . 0 0 "[ ]" 1 
       539 1  74 HIS HA  1  74 HIS HD2 1.800 . 3.110 2.141 2.141 2.141     . 0 0 "[ ]" 1 
       540 1  74 HIS H   1  75 PHE H   1.800 . 3.190 2.675 2.675 2.675     . 0 0 "[ ]" 1 
       541 1  74 HIS HA  1  75 PHE H   1.800 . 3.930 3.413 3.413 3.413     . 0 0 "[ ]" 1 
       542 1  74 HIS QB  1  75 PHE QE  1.800 . 4.380 3.496 3.496 3.496     . 0 0 "[ ]" 1 
       543 1  75 PHE H   1  75 PHE QB  1.800 . 3.530 2.368 2.368 2.368     . 0 0 "[ ]" 1 
       544 1  75 PHE H   1  75 PHE QD  1.800 . 3.820 2.786 2.786 2.786     . 0 0 "[ ]" 1 
       545 1  75 PHE HA  1  75 PHE QD  1.800 . 3.760 2.879 2.879 2.879     . 0 0 "[ ]" 1 
       546 1  75 PHE H   1  76 VAL H   1.800 . 2.860 2.057 2.057 2.057     . 0 0 "[ ]" 1 
       547 1  75 PHE QB  1  76 VAL H   1.800 . 3.960 2.925 2.925 2.925     . 0 0 "[ ]" 1 
       548 1  75 PHE QB  1  76 VAL QG  1.800 . 4.990 2.040 2.040 2.040     . 0 0 "[ ]" 1 
       549 1  75 PHE QB  1  88 ILE QG  1.800 . 4.250 3.407 3.407 3.407     . 0 0 "[ ]" 1 
       550 1  75 PHE QB  1  88 ILE MD  1.800 . 4.280 2.104 2.104 2.104     . 0 0 "[ ]" 1 
       551 1  75 PHE QE  1  90 TYR QE  1.800 . 4.100 3.283 3.283 3.283     . 0 0 "[ ]" 1 
       552 1  76 VAL H   1  76 VAL QG  1.800 . 4.190 2.019 2.019 2.019     . 0 0 "[ ]" 1 
       553 1  76 VAL HA  1  76 VAL HB  1.800 . 3.070 2.232 2.232 2.232     . 0 0 "[ ]" 1 
       554 1  76 VAL HB  1  76 VAL QG  1.800 . 3.580 1.913 1.913 1.913     . 0 0 "[ ]" 1 
       555 1  76 VAL HA  1  76 VAL QG  1.800 . 3.700 2.638 2.638 2.638     . 0 0 "[ ]" 1 
       556 1  76 VAL HA  1  77 LYS H   1.800 . 2.800 2.566 2.566 2.566     . 0 0 "[ ]" 1 
       557 1  76 VAL HB  1  77 LYS H   1.800 . 3.090 3.043 3.043 3.043     . 0 0 "[ ]" 1 
       558 1  76 VAL QG  1  77 LYS H   1.800 . 3.950 1.750 1.750 1.750 0.050 1 0 "[ ]" 1 
       559 1  76 VAL QG  1  77 LYS QB  1.800 . 4.840 2.902 2.902 2.902     . 0 0 "[ ]" 1 
       560 1  76 VAL HB  1  86 TYR QD  1.800 . 3.750 3.384 3.384 3.384     . 0 0 "[ ]" 1 
       561 1  76 VAL QG  1  86 TYR QB  1.800 . 4.850 3.288 3.288 3.288     . 0 0 "[ ]" 1 
       562 1  76 VAL QG  1  86 TYR QD  1.800 . 4.960 2.874 2.874 2.874     . 0 0 "[ ]" 1 
       563 1  77 LYS H   1  77 LYS QB  1.800 . 3.320 2.652 2.652 2.652     . 0 0 "[ ]" 1 
       564 1  77 LYS H   1  77 LYS QG  1.800 . 4.420 1.863 1.863 1.863     . 0 0 "[ ]" 1 
       565 1  77 LYS QB  1  77 LYS QG  1.800 . 3.060 2.010 2.010 2.010     . 0 0 "[ ]" 1 
       566 1  77 LYS QB  1  77 LYS QE  1.800 . 3.800 2.111 2.111 2.111     . 0 0 "[ ]" 1 
       567 1  77 LYS HA  1  78 CYS H   1.800 . 2.680 2.285 2.285 2.285     . 0 0 "[ ]" 1 
       568 1  77 LYS QB  1  78 CYS H   1.800 . 4.140 3.760 3.760 3.760     . 0 0 "[ ]" 1 
       569 1  77 LYS QG  1  84 GLN QG  1.800 . 4.380 2.982 2.982 2.982     . 0 0 "[ ]" 1 
       570 1  77 LYS H   1  86 TYR QE  1.800 . 4.090 3.909 3.909 3.909     . 0 0 "[ ]" 1 
       571 1  78 CYS H   1  78 CYS QB  1.800 . 3.380 3.054 3.054 3.054     . 0 0 "[ ]" 1 
       572 1  78 CYS HA  1  80 LEU QD  1.800 . 4.080 3.231 3.231 3.231     . 0 0 "[ ]" 1 
       573 1  79 PRO QD  1  79 PRO QG  1.800 . 3.520 1.976 1.976 1.976     . 0 0 "[ ]" 1 
       574 1  79 PRO QB  1  80 LEU H   1.800 . 3.970 3.653 3.653 3.653     . 0 0 "[ ]" 1 
       575 1  80 LEU H   1  80 LEU QB  1.800 . 3.600 2.295 2.295 2.295     . 0 0 "[ ]" 1 
       576 1  80 LEU H   1  80 LEU HG  1.800 . 3.140 3.368 3.368 3.368 0.228 1 0 "[ ]" 1 
       577 1  80 LEU H   1  80 LEU QD  1.800 . 4.970 2.284 2.284 2.284     . 0 0 "[ ]" 1 
       578 1  80 LEU QB  1  80 LEU QD  1.800 . 4.270 1.852 1.852 1.852     . 0 0 "[ ]" 1 
       579 1  80 LEU HA  1  80 LEU HG  1.800 . 3.600 3.636 3.636 3.636 0.036 1 0 "[ ]" 1 
       580 1  80 LEU QD  1  80 LEU HG  1.800 . 3.690 1.903 1.903 1.903     . 0 0 "[ ]" 1 
       581 1  80 LEU HA  1  80 LEU QD  1.800 . 3.630 1.756 1.756 1.756 0.044 1 0 "[ ]" 1 
       582 1  80 LEU QB  1  81 VAL H   1.800 . 3.730 1.908 1.908 1.908     . 0 0 "[ ]" 1 
       583 1  80 LEU QD  1  81 VAL H   1.800 . 5.220 3.669 3.669 3.669     . 0 0 "[ ]" 1 
       584 1  80 LEU QD  1  84 GLN QG  1.800 . 5.150 3.439 3.439 3.439     . 0 0 "[ ]" 1 
       585 1  80 LEU QD  1  86 TYR QE  1.800 . 4.710 1.729 1.729 1.729 0.071 1 0 "[ ]" 1 
       586 1  81 VAL H   1  81 VAL HB  1.800 . 3.000 3.357 3.357 3.357 0.357 1 0 "[ ]" 1 
       587 1  81 VAL H   1  81 VAL QG  1.800 . 3.840 2.076 2.076 2.076     . 0 0 "[ ]" 1 
       588 1  81 VAL HA  1  81 VAL QG  1.800 . 3.670 2.604 2.604 2.604     . 0 0 "[ ]" 1 
       589 1  81 VAL HA  1  82 LYS H   1.800 . 2.730 2.758 2.758 2.758 0.028 1 0 "[ ]" 1 
       590 1  81 VAL QG  1  82 LYS H   1.800 . 4.030 1.752 1.752 1.752 0.048 1 0 "[ ]" 1 
       591 1  81 VAL QG  1  83 GLY H   1.800 . 4.160 1.837 1.837 1.837     . 0 0 "[ ]" 1 
       592 1  82 LYS H   1  82 LYS QB  1.800 . 3.300 2.788 2.788 2.788     . 0 0 "[ ]" 1 
       593 1  82 LYS HA  1  82 LYS QG  1.800 . 3.310 3.206 3.206 3.206     . 0 0 "[ ]" 1 
       594 1  82 LYS QB  1  82 LYS QG  1.800 . 3.550 2.050 2.050 2.050     . 0 0 "[ ]" 1 
       595 1  82 LYS QD  1  82 LYS QG  1.800 . 3.600 2.066 2.066 2.066     . 0 0 "[ ]" 1 
       596 1  82 LYS QE  1  82 LYS QG  1.800 . 3.830 1.957 1.957 1.957     . 0 0 "[ ]" 1 
       597 1  82 LYS QD  1  82 LYS QE  1.800 . 3.190 2.049 2.049 2.049     . 0 0 "[ ]" 1 
       598 1  82 LYS HA  1  83 GLY H   1.800 . 2.750 2.785 2.785 2.785 0.035 1 0 "[ ]" 1 
       599 1  82 LYS QG  1  83 GLY H   1.800 . 3.830 3.475 3.475 3.475     . 0 0 "[ ]" 1 
       600 1  82 LYS QG  1  83 GLY QA  1.800 . 4.350 3.590 3.590 3.590     . 0 0 "[ ]" 1 
       601 1  82 LYS HA  1  84 GLN H   1.800 . 3.820 3.633 3.633 3.633     . 0 0 "[ ]" 1 
       602 1  83 GLY H   1  84 GLN H   1.800 . 3.320 2.311 2.311 2.311     . 0 0 "[ ]" 1 
       603 1  83 GLY QA  1  84 GLN H   1.800 . 4.140 2.875 2.875 2.875     . 0 0 "[ ]" 1 
       604 1  84 GLN H   1  84 GLN QB  1.800 . 3.450 2.800 2.800 2.800     . 0 0 "[ ]" 1 
       605 1  84 GLN HA  1  85 GLN H   1.800 . 2.730 2.177 2.177 2.177     . 0 0 "[ ]" 1 
       606 1  84 GLN QG  1  85 GLN H   1.800 . 3.870 2.278 2.278 2.278     . 0 0 "[ ]" 1 
       607 1  84 GLN QB  1  85 GLN H   1.800 . 3.820 3.555 3.555 3.555     . 0 0 "[ ]" 1 
       608 1  85 GLN H   1  85 GLN QB  1.800 . 3.300 2.465 2.465 2.465     . 0 0 "[ ]" 1 
       609 1  85 GLN HA  1  85 GLN QG  1.800 . 3.550 2.253 2.253 2.253     . 0 0 "[ ]" 1 
       610 1  85 GLN QB  1  85 GLN QG  1.800 . 3.630 2.108 2.108 2.108     . 0 0 "[ ]" 1 
       611 1  85 GLN HA  1  86 TYR H   1.800 . 2.810 2.371 2.371 2.371     . 0 0 "[ ]" 1 
       612 1  85 GLN QB  1  86 TYR H   1.800 . 4.050 3.561 3.561 3.561     . 0 0 "[ ]" 1 
       613 1  85 GLN QG  1  86 TYR H   1.800 . 4.000 2.447 2.447 2.447     . 0 0 "[ ]" 1 
       614 1  86 TYR H   1  86 TYR QB  1.800 . 3.760 2.888 2.888 2.888     . 0 0 "[ ]" 1 
       615 1  86 TYR H   1  86 TYR QD  1.800 . 4.000 3.624 3.624 3.624     . 0 0 "[ ]" 1 
       616 1  86 TYR HA  1  86 TYR QD  1.800 . 4.040 3.241 3.241 3.241     . 0 0 "[ ]" 1 
       617 1  86 TYR HA  1  87 ASP H   1.800 . 2.850 2.445 2.445 2.445     . 0 0 "[ ]" 1 
       618 1  86 TYR QB  1  87 ASP H   1.800 . 3.480 3.045 3.045 3.045     . 0 0 "[ ]" 1 
       619 1  86 TYR QE  1  88 ILE HB  1.800 . 3.950 2.435 2.435 2.435     . 0 0 "[ ]" 1 
       620 1  87 ASP H   1  87 ASP QB  1.800 . 3.550 2.967 2.967 2.967     . 0 0 "[ ]" 1 
       621 1  87 ASP H   1  88 ILE H   1.800 . 4.040 3.946 3.946 3.946     . 0 0 "[ ]" 1 
       622 1  87 ASP HA  1  88 ILE H   1.800 . 2.800 2.334 2.334 2.334     . 0 0 "[ ]" 1 
       623 1  87 ASP QB  1  88 ILE H   1.800 . 4.370 3.781 3.781 3.781     . 0 0 "[ ]" 1 
       624 1  88 ILE H   1  88 ILE HB  1.800 . 3.620 2.190 2.190 2.190     . 0 0 "[ ]" 1 
       625 1  88 ILE H   1  88 ILE MG  1.800 . 3.380 2.512 2.512 2.512     . 0 0 "[ ]" 1 
       626 1  88 ILE H   1  88 ILE MD  1.800 . 4.050 3.580 3.580 3.580     . 0 0 "[ ]" 1 
       627 1  88 ILE HA  1  88 ILE HB  1.800 . 3.050 2.618 2.618 2.618     . 0 0 "[ ]" 1 
       628 1  88 ILE HB  1  88 ILE MD  1.800 . 3.450 2.001 2.001 2.001     . 0 0 "[ ]" 1 
       629 1  88 ILE HA  1  88 ILE MG  1.800 . 4.240 3.167 3.167 3.167     . 0 0 "[ ]" 1 
       630 1  88 ILE HA  1  88 ILE QG  1.800 . 3.580 2.210 2.210 2.210     . 0 0 "[ ]" 1 
       631 1  88 ILE HA  1  89 LYS H   1.800 . 2.820 2.846 2.846 2.846 0.026 1 0 "[ ]" 1 
       632 1  88 ILE HB  1  89 LYS H   1.800 . 3.560 3.691 3.691 3.691 0.131 1 0 "[ ]" 1 
       633 1  88 ILE QG  1  89 LYS H   1.800 . 4.060 1.796 1.796 1.796 0.004 1 0 "[ ]" 1 
       634 1  89 LYS H   1  89 LYS QB  1.800 . 3.810 3.107 3.107 3.107     . 0 0 "[ ]" 1 
       635 1  89 LYS HA  1  89 LYS QG  1.800 . 3.670 1.987 1.987 1.987     . 0 0 "[ ]" 1 
       636 1  89 LYS QB  1  89 LYS QG  1.800 . 3.970 2.094 2.094 2.094     . 0 0 "[ ]" 1 
       637 1  89 LYS QE  1  89 LYS QG  1.800 . 3.960 2.088 2.088 2.088     . 0 0 "[ ]" 1 
       638 1  89 LYS QD  1  89 LYS QE  1.800 . 4.100 2.108 2.108 2.108     . 0 0 "[ ]" 1 
       639 1  89 LYS HA  1  90 TYR H   1.800 . 2.850 2.533 2.533 2.533     . 0 0 "[ ]" 1 
       640 1  89 LYS QB  1  90 TYR H   1.800 . 4.430 2.288 2.288 2.288     . 0 0 "[ ]" 1 
       641 1  89 LYS QG  1  90 TYR H   1.800 . 4.320 2.752 2.752 2.752     . 0 0 "[ ]" 1 
       642 1  90 TYR H   1  90 TYR QB  1.800 . 3.880 2.867 2.867 2.867     . 0 0 "[ ]" 1 
       643 1  90 TYR HA  1  90 TYR QD  1.800 . 3.790 2.463 2.463 2.463     . 0 0 "[ ]" 1 
       644 1  90 TYR HA  1  91 THR H   1.800 . 3.150 2.407 2.407 2.407     . 0 0 "[ ]" 1 
       645 1  91 THR H   1  91 THR HB  1.800 . 3.630 3.616 3.616 3.616     . 0 0 "[ ]" 1 
       646 1  92 TRP HA  1  92 TRP HD1 1.800 . 3.470 3.353 3.353 3.353     . 0 0 "[ ]" 1 
       647 1  92 TRP HA  1  93 ASN H   1.800 . 3.360 2.309 2.309 2.309     . 0 0 "[ ]" 1 
       648 1  92 TRP QB  1  94 VAL QG  1.800 . 4.580 3.048 3.048 3.048     . 0 0 "[ ]" 1 
       649 1  92 TRP HD1 1  94 VAL QG  1.800 . 4.740 1.727 1.727 1.727 0.073 1 0 "[ ]" 1 
       650 1  94 VAL H   1  94 VAL HB  1.800 . 3.070 2.289 2.289 2.289     . 0 0 "[ ]" 1 
       651 1  94 VAL H   1  94 VAL QG  1.800 . 3.910 2.905 2.905 2.905     . 0 0 "[ ]" 1 
       652 1  94 VAL HA  1  94 VAL QG  1.800 . 4.510 1.909 1.909 1.909     . 0 0 "[ ]" 1 
       653 1  94 VAL HB  1  94 VAL QG  1.800 . 3.810 1.889 1.889 1.889     . 0 0 "[ ]" 1 
       654 1  94 VAL QG  1  95 PRO QD  1.800 . 4.590 2.500 2.500 2.500     . 0 0 "[ ]" 1 
       655 1  94 VAL HA  1  95 PRO QD  1.800 . 3.710 1.827 1.827 1.827     . 0 0 "[ ]" 1 
       656 1  95 PRO QD  1  95 PRO QG  1.800 . 4.010 1.962 1.962 1.962     . 0 0 "[ ]" 1 
       657 1  95 PRO QB  1  97 ILE H   1.800 . 4.000 3.271 3.271 3.271     . 0 0 "[ ]" 1 
       658 1  95 PRO QD  1  97 ILE QG  1.800 . 4.320 2.019 2.019 2.019     . 0 0 "[ ]" 1 
       659 1  95 PRO QB  1  97 ILE QG  1.800 . 4.300 3.575 3.575 3.575     . 0 0 "[ ]" 1 
       660 1  95 PRO QD  1  97 ILE MD  1.800 . 3.730 1.795 1.795 1.795 0.005 1 0 "[ ]" 1 
       661 1  96 LYS HA  1  96 LYS QG  1.800 . 3.750 2.021 2.021 2.021     . 0 0 "[ ]" 1 
       662 1  96 LYS HA  1  96 LYS QD  1.800 . 3.530 2.866 2.866 2.866     . 0 0 "[ ]" 1 
       663 1  96 LYS QB  1  96 LYS QG  1.800 . 3.270 2.053 2.053 2.053     . 0 0 "[ ]" 1 
       664 1  96 LYS QB  1  96 LYS QD  1.800 . 3.260 2.075 2.075 2.075     . 0 0 "[ ]" 1 
       665 1  96 LYS QE  1  96 LYS QG  1.800 . 4.130 2.081 2.081 2.081     . 0 0 "[ ]" 1 
       666 1  96 LYS HA  1  97 ILE H   1.800 . 3.900 3.525 3.525 3.525     . 0 0 "[ ]" 1 
       667 1  96 LYS QB  1  97 ILE H   1.800 . 3.700 2.521 2.521 2.521     . 0 0 "[ ]" 1 
       668 1  97 ILE H   1  97 ILE HB  1.800 . 3.500 3.618 3.618 3.618 0.118 1 0 "[ ]" 1 
       669 1  97 ILE H   1  97 ILE QG  1.800 . 3.320 2.209 2.209 2.209     . 0 0 "[ ]" 1 
       670 1  97 ILE H   1  97 ILE MD  1.800 . 3.860 3.252 3.252 3.252     . 0 0 "[ ]" 1 
       671 1  97 ILE HA  1  97 ILE HB  1.800 . 3.070 3.016 3.016 3.016     . 0 0 "[ ]" 1 
       672 1  97 ILE HB  1  97 ILE MD  1.800 . 3.130 1.979 1.979 1.979     . 0 0 "[ ]" 1 
       673 1  97 ILE H   1  98 ALA H   1.800 . 3.470 2.982 2.982 2.982     . 0 0 "[ ]" 1 
       674 1  97 ILE HB  1  98 ALA H   1.800 . 3.970 3.599 3.599 3.599     . 0 0 "[ ]" 1 
       675 1  98 ALA H   1  98 ALA MB  1.800 . 3.330 2.793 2.793 2.793     . 0 0 "[ ]" 1 
       676 1  98 ALA HA  1  99 PRO QD  1.800 . 3.060 2.070 2.070 2.070     . 0 0 "[ ]" 1 
       677 1  98 ALA MB  1  99 PRO QD  1.800 . 4.030 1.757 1.757 1.757 0.043 1 0 "[ ]" 1 
       678 1  98 ALA H   1  99 PRO QD  1.800 . 4.360 4.096 4.096 4.096     . 0 0 "[ ]" 1 
       679 1  99 PRO QD  1  99 PRO QG  1.800 . 3.560 1.986 1.986 1.986     . 0 0 "[ ]" 1 
       680 1  99 PRO HA  1  99 PRO QG  1.800 . 3.670 3.529 3.529 3.529     . 0 0 "[ ]" 1 
       681 1  99 PRO HA  1 100 LYS H   1.800 . 2.870 2.299 2.299 2.299     . 0 0 "[ ]" 1 
       682 1  99 PRO QB  1 100 LYS H   1.800 . 4.350 2.954 2.954 2.954     . 0 0 "[ ]" 1 
       683 1  99 PRO QG  1 100 LYS QB  1.800 . 4.180 3.539 3.539 3.539     . 0 0 "[ ]" 1 
       684 1  99 PRO HA  1 128 ARG QB  1.800 . 4.030 3.697 3.697 3.697     . 0 0 "[ ]" 1 
       685 1  99 PRO QB  1 128 ARG QB  1.800 . 3.810 2.976 2.976 2.976     . 0 0 "[ ]" 1 
       686 1 100 LYS H   1 100 LYS QB  1.800 . 3.430 3.222 3.222 3.222     . 0 0 "[ ]" 1 
       687 1 100 LYS H   1 100 LYS QG  1.800 . 3.730 2.641 2.641 2.641     . 0 0 "[ ]" 1 
       688 1 100 LYS HA  1 100 LYS QG  1.800 . 3.650 2.896 2.896 2.896     . 0 0 "[ ]" 1 
       689 1 100 LYS HA  1 100 LYS QD  1.800 . 3.140 1.786 1.786 1.786 0.014 1 0 "[ ]" 1 
       690 1 100 LYS QB  1 100 LYS QG  1.800 . 3.460 2.015 2.015 2.015     . 0 0 "[ ]" 1 
       691 1 100 LYS HA  1 101 SER H   1.800 . 2.890 2.191 2.191 2.191     . 0 0 "[ ]" 1 
       692 1 100 LYS HA  1 127 ILE MG  1.800 . 3.400 2.977 2.977 2.977     . 0 0 "[ ]" 1 
       693 1 100 LYS HA  1 127 ILE MD  1.800 . 4.320 3.657 3.657 3.657     . 0 0 "[ ]" 1 
       694 1 100 LYS QG  1 128 ARG HA  1.800 . 4.010 3.614 3.614 3.614     . 0 0 "[ ]" 1 
       695 1 100 LYS QD  1 128 ARG HA  1.800 . 3.960 3.828 3.828 3.828     . 0 0 "[ ]" 1 
       696 1 100 LYS QD  1 128 ARG QB  1.800 . 4.140 1.641 1.641 1.641 0.159 1 0 "[ ]" 1 
       697 1 100 LYS QD  1 129 ASP H   1.800 . 4.230 3.860 3.860 3.860     . 0 0 "[ ]" 1 
       698 1 101 SER HA  1 102 GLU H   1.800 . 3.140 2.293 2.293 2.293     . 0 0 "[ ]" 1 
       699 1 101 SER HA  1 103 ASN H   1.800 . 3.910 3.949 3.949 3.949 0.039 1 0 "[ ]" 1 
       700 1 101 SER QB  1 103 ASN H   1.800 . 4.390 2.969 2.969 2.969     . 0 0 "[ ]" 1 
       701 1 101 SER QB  1 104 VAL QG  1.800 . 4.150 1.950 1.950 1.950     . 0 0 "[ ]" 1 
       702 1 101 SER H   1 127 ILE H   1.800 . 3.450 2.492 2.492 2.492     . 0 0 "[ ]" 1 
       703 1 101 SER H   1 127 ILE HB  1.800 . 3.060 2.193 2.193 2.193     . 0 0 "[ ]" 1 
       704 1 101 SER H   1 127 ILE MG  1.800 . 4.600 3.708 3.708 3.708     . 0 0 "[ ]" 1 
       705 1 101 SER H   1 127 ILE MD  1.800 . 4.390 2.403 2.403 2.403     . 0 0 "[ ]" 1 
       706 1 102 GLU H   1 102 GLU QG  1.800 . 4.110 3.050 3.050 3.050     . 0 0 "[ ]" 1 
       707 1 102 GLU QB  1 102 GLU QG  1.800 . 2.900 2.085 2.085 2.085     . 0 0 "[ ]" 1 
       708 1 102 GLU H   1 103 ASN H   1.800 . 3.470 2.867 2.867 2.867     . 0 0 "[ ]" 1 
       709 1 103 ASN HA  1 104 VAL H   1.800 . 2.890 2.371 2.371 2.371     . 0 0 "[ ]" 1 
       710 1 103 ASN H   1 104 VAL QG  1.800 . 4.280 3.048 3.048 3.048     . 0 0 "[ ]" 1 
       711 1 103 ASN HA  1 104 VAL QG  1.800 . 3.800 2.828 2.828 2.828     . 0 0 "[ ]" 1 
       712 1 104 VAL H   1 104 VAL HB  1.800 . 3.400 3.344 3.344 3.344     . 0 0 "[ ]" 1 
       713 1 104 VAL H   1 104 VAL QG  1.800 . 4.410 2.368 2.368 2.368     . 0 0 "[ ]" 1 
       714 1 104 VAL HB  1 104 VAL QG  1.800 . 4.010 1.906 1.906 1.906     . 0 0 "[ ]" 1 
       715 1 104 VAL HA  1 105 VAL H   1.800 . 3.000 2.396 2.396 2.396     . 0 0 "[ ]" 1 
       716 1 104 VAL QG  1 105 VAL H   1.800 . 4.080 2.091 2.091 2.091     . 0 0 "[ ]" 1 
       717 1 104 VAL HB  1 125 GLY QA  1.800 . 3.950 2.964 2.964 2.964     . 0 0 "[ ]" 1 
       718 1 104 VAL QG  1 125 GLY QA  1.800 . 5.350 3.349 3.349 3.349     . 0 0 "[ ]" 1 
       719 1 104 VAL QG  1 126 LYS HA  1.800 . 3.640 2.727 2.727 2.727     . 0 0 "[ ]" 1 
       720 1 104 VAL QG  1 127 ILE H   1.800 . 4.420 2.895 2.895 2.895     . 0 0 "[ ]" 1 
       721 1 105 VAL H   1 105 VAL QG  1.800 . 4.930 3.301 3.301 3.301     . 0 0 "[ ]" 1 
       722 1 105 VAL HB  1 105 VAL QG  1.800 . 3.330 1.912 1.912 1.912     . 0 0 "[ ]" 1 
       723 1 105 VAL HA  1 106 VAL H   1.800 . 2.980 2.207 2.207 2.207     . 0 0 "[ ]" 1 
       724 1 105 VAL QG  1 106 VAL H   1.800 . 5.220 2.862 2.862 2.862     . 0 0 "[ ]" 1 
       725 1 106 VAL H   1 106 VAL HB  1.800 . 3.330 2.535 2.535 2.535     . 0 0 "[ ]" 1 
       726 1 106 VAL H   1 106 VAL QG  1.800 . 4.190 2.552 2.552 2.552     . 0 0 "[ ]" 1 
       727 1 106 VAL HA  1 106 VAL QG  1.800 . 3.720 2.097 2.097 2.097     . 0 0 "[ ]" 1 
       728 1 106 VAL HA  1 107 THR H   1.800 . 2.860 2.276 2.276 2.276     . 0 0 "[ ]" 1 
       729 1 106 VAL QG  1 107 THR H   1.800 . 4.240 1.823 1.823 1.823     . 0 0 "[ ]" 1 
       730 1 106 VAL H   1 122 ALA H   1.800 . 3.780 3.811 3.811 3.811 0.031 1 0 "[ ]" 1 
       731 1 106 VAL H   1 122 ALA MB  1.800 . 4.690 2.955 2.955 2.955     . 0 0 "[ ]" 1 
       732 1 106 VAL QG  1 122 ALA H   1.800 . 5.150 3.121 3.121 3.121     . 0 0 "[ ]" 1 
       733 1 106 VAL HB  1 122 ALA MB  1.800 . 3.670 1.851 1.851 1.851     . 0 0 "[ ]" 1 
       734 1 107 THR HA  1 107 THR MG  1.800 . 3.420 2.198 2.198 2.198     . 0 0 "[ ]" 1 
       735 1 107 THR H   1 107 THR HB  1.800 . 3.290 3.175 3.175 3.175     . 0 0 "[ ]" 1 
       736 1 107 THR HA  1 108 VAL H   1.800 . 2.820 2.408 2.408 2.408     . 0 0 "[ ]" 1 
       737 1 107 THR MG  1 108 VAL H   1.800 . 3.730 2.129 2.129 2.129     . 0 0 "[ ]" 1 
       738 1 107 THR HA  1 121 ILE HA  1.800 . 2.500 1.940 1.940 1.940     . 0 0 "[ ]" 1 
       739 1 107 THR HA  1 122 ALA H   1.800 . 3.330 3.195 3.195 3.195     . 0 0 "[ ]" 1 
       740 1 108 VAL H   1 108 VAL HB  1.800 . 3.120 2.951 2.951 2.951     . 0 0 "[ ]" 1 
       741 1 108 VAL H   1 108 VAL QG  1.800 . 4.590 3.299 3.299 3.299     . 0 0 "[ ]" 1 
       742 1 108 VAL HB  1 108 VAL QG  1.800 . 3.710 1.902 1.902 1.902     . 0 0 "[ ]" 1 
       743 1 108 VAL HA  1 108 VAL QG  1.800 . 4.530 1.970 1.970 1.970     . 0 0 "[ ]" 1 
       744 1 108 VAL HA  1 109 LYS H   1.800 . 2.790 2.391 2.391 2.391     . 0 0 "[ ]" 1 
       745 1 108 VAL HB  1 109 LYS H   1.800 . 3.830 3.911 3.911 3.911 0.081 1 0 "[ ]" 1 
       746 1 108 VAL QG  1 109 LYS H   1.800 . 4.660 1.778 1.778 1.778 0.022 1 0 "[ ]" 1 
       747 1 108 VAL HB  1 120 ALA H   1.800 . 3.930 3.119 3.119 3.119     . 0 0 "[ ]" 1 
       748 1 108 VAL QG  1 120 ALA H   1.800 . 5.200 2.740 2.740 2.740     . 0 0 "[ ]" 1 
       749 1 108 VAL HB  1 120 ALA MB  1.800 . 3.750 1.961 1.961 1.961     . 0 0 "[ ]" 1 
       750 1 108 VAL QG  1 120 ALA MB  1.800 . 4.200 2.516 2.516 2.516     . 0 0 "[ ]" 1 
       751 1 109 LYS H   1 109 LYS QB  1.800 . 3.910 2.982 2.982 2.982     . 0 0 "[ ]" 1 
       752 1 109 LYS H   1 109 LYS QG  1.800 . 4.370 3.981 3.981 3.981     . 0 0 "[ ]" 1 
       753 1 109 LYS HA  1 109 LYS QG  1.800 . 3.520 2.567 2.567 2.567     . 0 0 "[ ]" 1 
       754 1 109 LYS QB  1 109 LYS QG  1.800 . 3.490 2.076 2.076 2.076     . 0 0 "[ ]" 1 
       755 1 109 LYS QE  1 109 LYS QG  1.800 . 3.750 2.352 2.352 2.352     . 0 0 "[ ]" 1 
       756 1 109 LYS QD  1 109 LYS QE  1.800 . 3.380 2.098 2.098 2.098     . 0 0 "[ ]" 1 
       757 1 109 LYS HA  1 110 LEU H   1.800 . 2.720 2.178 2.178 2.178     . 0 0 "[ ]" 1 
       758 1 109 LYS QB  1 110 LEU H   1.800 . 4.150 3.710 3.710 3.710     . 0 0 "[ ]" 1 
       759 1 109 LYS QG  1 110 LEU H   1.800 . 3.820 2.394 2.394 2.394     . 0 0 "[ ]" 1 
       760 1 109 LYS QG  1 111 ILE H   1.800 . 4.100 3.761 3.761 3.761     . 0 0 "[ ]" 1 
       761 1 109 LYS QG  1 111 ILE MD  1.800 . 4.740 2.310 2.310 2.310     . 0 0 "[ ]" 1 
       762 1 109 LYS QD  1 111 ILE QG  1.800 . 3.000 2.293 2.293 2.293     . 0 0 "[ ]" 1 
       763 1 109 LYS QD  1 111 ILE MD  1.800 . 4.500 2.673 2.673 2.673     . 0 0 "[ ]" 1 
       764 1 109 LYS QE  1 111 ILE MD  1.800 . 4.030 2.499 2.499 2.499     . 0 0 "[ ]" 1 
       765 1 109 LYS QG  1 116 VAL HB  1.800 . 4.040 3.617 3.617 3.617     . 0 0 "[ ]" 1 
       766 1 109 LYS HA  1 119 CYS HA  1.800 . 2.500 1.837 1.837 1.837     . 0 0 "[ ]" 1 
       767 1 109 LYS QD  1 119 CYS QB  1.800 . 3.780 3.036 3.036 3.036     . 0 0 "[ ]" 1 
       768 1 109 LYS QB  1 119 CYS QB  1.800 . 3.960 2.996 2.996 2.996     . 0 0 "[ ]" 1 
       769 1 109 LYS HA  1 120 ALA H   1.800 . 3.990 3.665 3.665 3.665     . 0 0 "[ ]" 1 
       770 1 110 LEU H   1 110 LEU QB  1.800 . 3.470 2.482 2.482 2.482     . 0 0 "[ ]" 1 
       771 1 110 LEU HA  1 110 LEU QD  1.800 . 4.230 1.878 1.878 1.878     . 0 0 "[ ]" 1 
       772 1 110 LEU QB  1 110 LEU QD  1.800 . 4.820 1.920 1.920 1.920     . 0 0 "[ ]" 1 
       773 1 110 LEU HA  1 110 LEU HG  1.800 . 3.340 2.752 2.752 2.752     . 0 0 "[ ]" 1 
       774 1 110 LEU HA  1 111 ILE H   1.800 . 2.970 2.193 2.193 2.193     . 0 0 "[ ]" 1 
       775 1 110 LEU HA  1 111 ILE QG  1.800 . 4.040 3.247 3.247 3.247     . 0 0 "[ ]" 1 
       776 1 110 LEU QB  1 117 LEU QD  1.800 . 4.660 2.845 2.845 2.845     . 0 0 "[ ]" 1 
       777 1 110 LEU HG  1 117 LEU QD  1.800 . 3.200 1.798 1.798 1.798 0.002 1 0 "[ ]" 1 
       778 1 110 LEU H   1 118 ALA H   1.800 . 3.370 2.574 2.574 2.574     . 0 0 "[ ]" 1 
       779 1 110 LEU QB  1 118 ALA H   1.800 . 3.490 1.829 1.829 1.829     . 0 0 "[ ]" 1 
       780 1 110 LEU H   1 119 CYS HA  1.800 . 4.000 3.351 3.351 3.351     . 0 0 "[ ]" 1 
       781 1 111 ILE H   1 111 ILE HB  1.800 . 3.280 2.779 2.779 2.779     . 0 0 "[ ]" 1 
       782 1 111 ILE HA  1 111 ILE MG  1.800 . 3.380 2.248 2.248 2.248     . 0 0 "[ ]" 1 
       783 1 111 ILE HA  1 111 ILE QG  1.800 . 3.800 2.604 2.604 2.604     . 0 0 "[ ]" 1 
       784 1 111 ILE HA  1 112 GLY H   1.800 . 2.770 2.222 2.222 2.222     . 0 0 "[ ]" 1 
       785 1 111 ILE MG  1 112 GLY H   1.800 . 3.560 2.904 2.904 2.904     . 0 0 "[ ]" 1 
       786 1 111 ILE HA  1 116 VAL HA  1.800 . 2.500 2.045 2.045 2.045     . 0 0 "[ ]" 1 
       787 1 111 ILE QG  1 116 VAL HB  1.800 . 3.860 2.942 2.942 2.942     . 0 0 "[ ]" 1 
       788 1 111 ILE MG  1 116 VAL HA  1.800 . 3.800 2.922 2.922 2.922     . 0 0 "[ ]" 1 
       789 1 111 ILE H   1 117 LEU QD  1.800 . 4.480 3.346 3.346 3.346     . 0 0 "[ ]" 1 
       790 1 112 GLY QA  1 113 ASP H   1.800 . 3.480 2.197 2.197 2.197     . 0 0 "[ ]" 1 
       791 1 112 GLY QA  1 114 ASN H   1.800 . 4.460 3.390 3.390 3.390     . 0 0 "[ ]" 1 
       792 1 112 GLY QA  1 114 ASN QD  1.800 . 4.380 3.348 3.348 3.348     . 0 0 "[ ]" 1 
       793 1 112 GLY H   1 115 GLY H   1.800 . 3.830 3.463 3.463 3.463     . 0 0 "[ ]" 1 
       794 1 112 GLY H   1 116 VAL HA  1.800 . 3.480 3.482 3.482 3.482 0.002 1 0 "[ ]" 1 
       795 1 112 GLY H   1 117 LEU H   1.800 . 3.990 2.844 2.844 2.844     . 0 0 "[ ]" 1 
       796 1 112 GLY H   1 117 LEU HG  1.800 . 3.390 2.720 2.720 2.720     . 0 0 "[ ]" 1 
       797 1 112 GLY H   1 117 LEU QD  1.800 . 5.110 2.374 2.374 2.374     . 0 0 "[ ]" 1 
       798 1 112 GLY QA  1 117 LEU QD  1.800 . 4.860 2.135 2.135 2.135     . 0 0 "[ ]" 1 
       799 1 112 GLY QA  1 117 LEU HG  1.800 . 3.970 3.510 3.510 3.510     . 0 0 "[ ]" 1 
       800 1 113 ASP H   1 113 ASP QB  1.800 . 3.600 2.665 2.665 2.665     . 0 0 "[ ]" 1 
       801 1 113 ASP H   1 114 ASN H   1.800 . 3.510 1.723 1.723 1.723 0.077 1 0 "[ ]" 1 
       802 1 113 ASP H   1 114 ASN HA  1.800 . 3.950 4.363 4.363 4.363 0.413 1 0 "[ ]" 1 
       803 1 113 ASP QB  1 114 ASN H   1.800 . 3.790 3.459 3.459 3.459     . 0 0 "[ ]" 1 
       804 1 113 ASP H   1 114 ASN QD  1.800 . 3.420 1.986 1.986 1.986     . 0 0 "[ ]" 1 
       805 1 114 ASN H   1 114 ASN QB  1.800 . 3.470 2.741 2.741 2.741     . 0 0 "[ ]" 1 
       806 1 114 ASN H   1 115 GLY H   1.800 . 3.100 1.846 1.846 1.846     . 0 0 "[ ]" 1 
       807 1 114 ASN HA  1 115 GLY H   1.800 . 3.420 3.430 3.430 3.430 0.010 1 0 "[ ]" 1 
       808 1 115 GLY QA  1 116 VAL H   1.800 . 3.830 2.234 2.234 2.234     . 0 0 "[ ]" 1 
       809 1 116 VAL H   1 116 VAL HB  1.800 . 3.310 3.253 3.253 3.253     . 0 0 "[ ]" 1 
       810 1 116 VAL H   1 116 VAL QG  1.800 . 4.580 1.834 1.834 1.834     . 0 0 "[ ]" 1 
       811 1 116 VAL HA  1 116 VAL QG  1.800 . 3.880 2.429 2.429 2.429     . 0 0 "[ ]" 1 
       812 1 116 VAL HB  1 116 VAL QG  1.800 . 3.630 1.902 1.902 1.902     . 0 0 "[ ]" 1 
       813 1 116 VAL HA  1 117 LEU H   1.800 . 2.800 2.207 2.207 2.207     . 0 0 "[ ]" 1 
       814 1 116 VAL QG  1 117 LEU H   1.800 . 4.100 3.053 3.053 3.053     . 0 0 "[ ]" 1 
       815 1 116 VAL QG  1 119 CYS QB  1.800 . 4.600 2.372 2.372 2.372     . 0 0 "[ ]" 1 
       816 1 117 LEU H   1 117 LEU QD  1.800 . 4.440 2.593 2.593 2.593     . 0 0 "[ ]" 1 
       817 1 117 LEU H   1 117 LEU QB  1.800 . 3.820 2.533 2.533 2.533     . 0 0 "[ ]" 1 
       818 1 117 LEU QB  1 117 LEU QD  1.800 . 4.200 1.745 1.745 1.745 0.055 1 0 "[ ]" 1 
       819 1 117 LEU H   1 117 LEU HG  1.800 . 3.700 2.090 2.090 2.090     . 0 0 "[ ]" 1 
       820 1 117 LEU HA  1 117 LEU HG  1.800 . 3.600 2.529 2.529 2.529     . 0 0 "[ ]" 1 
       821 1 117 LEU QD  1 117 LEU HG  1.800 . 3.140 1.903 1.903 1.903     . 0 0 "[ ]" 1 
       822 1 117 LEU HA  1 117 LEU QD  1.800 . 3.950 2.686 2.686 2.686     . 0 0 "[ ]" 1 
       823 1 117 LEU H   1 118 ALA H   1.800 . 2.950 2.958 2.958 2.958 0.008 1 0 "[ ]" 1 
       824 1 117 LEU QB  1 118 ALA H   1.800 . 3.480 2.351 2.351 2.351     . 0 0 "[ ]" 1 
       825 1 117 LEU QD  1 118 ALA H   1.800 . 5.170 3.669 3.669 3.669     . 0 0 "[ ]" 1 
       826 1 118 ALA H   1 118 ALA MB  1.800 . 3.510 2.567 2.567 2.567     . 0 0 "[ ]" 1 
       827 1 118 ALA HA  1 119 CYS H   1.800 . 3.100 2.654 2.654 2.654     . 0 0 "[ ]" 1 
       828 1 118 ALA MB  1 119 CYS H   1.800 . 4.280 1.951 1.951 1.951     . 0 0 "[ ]" 1 
       829 1 119 CYS HA  1 120 ALA H   1.800 . 2.840 2.355 2.355 2.355     . 0 0 "[ ]" 1 
       830 1 120 ALA H   1 120 ALA MB  1.800 . 3.800 2.881 2.881 2.881     . 0 0 "[ ]" 1 
       831 1 120 ALA HA  1 121 ILE H   1.800 . 2.880 2.202 2.202 2.202     . 0 0 "[ ]" 1 
       832 1 120 ALA MB  1 121 ILE H   1.800 . 3.840 3.163 3.163 3.163     . 0 0 "[ ]" 1 
       833 1 121 ILE H   1 121 ILE HB  1.800 . 3.130 2.792 2.792 2.792     . 0 0 "[ ]" 1 
       834 1 121 ILE H   1 121 ILE QG  1.800 . 4.330 3.193 3.193 3.193     . 0 0 "[ ]" 1 
       835 1 121 ILE H   1 121 ILE MD  1.800 . 4.460 2.955 2.955 2.955     . 0 0 "[ ]" 1 
       836 1 121 ILE HA  1 121 ILE MG  1.800 . 3.550 2.294 2.294 2.294     . 0 0 "[ ]" 1 
       837 1 121 ILE HA  1 121 ILE QG  1.800 . 3.680 2.350 2.350 2.350     . 0 0 "[ ]" 1 
       838 1 121 ILE HA  1 122 ALA H   1.800 . 2.940 2.208 2.208 2.208     . 0 0 "[ ]" 1 
       839 1 121 ILE MG  1 122 ALA H   1.800 . 3.940 2.333 2.333 2.333     . 0 0 "[ ]" 1 
       840 1 122 ALA H   1 122 ALA MB  1.800 . 3.870 2.415 2.415 2.415     . 0 0 "[ ]" 1 
       841 1 123 THR HA  1 123 THR MG  1.800 . 3.670 2.072 2.072 2.072     . 0 0 "[ ]" 1 
       842 1 123 THR HA  1 124 HIS H   1.800 . 2.960 2.184 2.184 2.184     . 0 0 "[ ]" 1 
       843 1 123 THR MG  1 124 HIS H   1.800 . 4.240 2.946 2.946 2.946     . 0 0 "[ ]" 1 
       844 1 124 HIS HA  1 125 GLY H   1.800 . 3.990 2.329 2.329 2.329     . 0 0 "[ ]" 1 
       845 1 125 GLY QA  1 126 LYS H   1.800 . 3.340 2.186 2.186 2.186     . 0 0 "[ ]" 1 
       846 1 126 LYS H   1 126 LYS QB  1.800 . 3.720 2.336 2.336 2.336     . 0 0 "[ ]" 1 
       847 1 126 LYS HA  1 127 ILE H   1.800 . 3.030 2.196 2.196 2.196     . 0 0 "[ ]" 1 
       848 1 127 ILE H   1 127 ILE HB  1.800 . 3.230 2.291 2.291 2.291     . 0 0 "[ ]" 1 
       849 1 127 ILE H   1 127 ILE QG  1.800 . 3.920 3.320 3.320 3.320     . 0 0 "[ ]" 1 
       850 1 127 ILE HA  1 127 ILE MG  1.800 . 3.500 2.461 2.461 2.461     . 0 0 "[ ]" 1 
       851 1 127 ILE HA  1 127 ILE QG  1.800 . 3.820 2.166 2.166 2.166     . 0 0 "[ ]" 1 
       852 1 127 ILE HA  1 127 ILE MD  1.800 . 4.050 3.131 3.131 3.131     . 0 0 "[ ]" 1 
       853 1 127 ILE HB  1 127 ILE MD  1.800 . 3.260 1.997 1.997 1.997     . 0 0 "[ ]" 1 
       854 1 127 ILE HA  1 128 ARG H   1.800 . 2.750 2.341 2.341 2.341     . 0 0 "[ ]" 1 
       855 1 127 ILE MG  1 128 ARG H   1.800 . 3.720 1.847 1.847 1.847     . 0 0 "[ ]" 1 
       856 1 127 ILE QG  1 128 ARG H   1.800 . 4.400 3.745 3.745 3.745     . 0 0 "[ ]" 1 
       857 1 127 ILE MG  1 128 ARG HA  1.800 . 3.640 2.973 2.973 2.973     . 0 0 "[ ]" 1 
       858 1 128 ARG QB  1 128 ARG QG  1.800 . 4.180 2.052 2.052 2.052     . 0 0 "[ ]" 1 
       859 1 128 ARG QB  1 128 ARG QD  1.800 . 4.240 1.894 1.894 1.894     . 0 0 "[ ]" 1 
       860 1 128 ARG QD  1 128 ARG QG  1.800 . 4.080 2.058 2.058 2.058     . 0 0 "[ ]" 1 
       861 1 128 ARG QB  1 129 ASP H   1.800 . 3.340 2.056 2.056 2.056     . 0 0 "[ ]" 1 
       862 1 129 ASP H   1 129 ASP QB  1.800 . 3.450 2.991 2.991 2.991     . 0 0 "[ ]" 1 
    stop_

save_


save_distance_constraint_statistics_2
    _Distance_constraint_stats_list.Sf_category                   distance_constraint_statistics
    _Distance_constraint_stats_list.Constraint_list_ID            2
    _Distance_constraint_stats_list.Constraint_count              3
    _Distance_constraint_stats_list.Viol_count                    0
    _Distance_constraint_stats_list.Viol_total                    0.000
    _Distance_constraint_stats_list.Viol_max                      0.000
    _Distance_constraint_stats_list.Viol_rms                      0.0000
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0000
    _Distance_constraint_stats_list.Viol_average_violations_only  0.0000
    _Distance_constraint_stats_list.Cutoff_violation_report       0.500
    _Distance_constraint_stats_list.Details                       .

    loop_
       _Distance_constraint_stats_per_res.Atom_entity_assembly_ID
       _Distance_constraint_stats_per_res.Atom_comp_index_ID
       _Distance_constraint_stats_per_res.Atom_comp_ID
       _Distance_constraint_stats_per_res.Total_violation
       _Distance_constraint_stats_per_res.Max_violation
       _Distance_constraint_stats_per_res.Max_violation_model_number
       _Distance_constraint_stats_per_res.Over_cutoff_viol_count
       _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model

       1   8 CYS 0.000 0.000 . 0 "[ ]" 
       1  21 CYS 0.000 0.000 . 0 "[ ]" 
       1  27 CYS 0.000 0.000 . 0 "[ ]" 
       1  73 CYS 0.000 0.000 . 0 "[ ]" 
       1  78 CYS 0.000 0.000 . 0 "[ ]" 
       1 119 CYS 0.000 0.000 . 0 "[ ]" 
    stop_

    loop_
       _Distance_constraint_stats.Restraint_ID
       _Distance_constraint_stats.Atom_1_entity_assembly_ID
       _Distance_constraint_stats.Atom_1_comp_index_ID
       _Distance_constraint_stats.Atom_1_comp_ID
       _Distance_constraint_stats.Atom_1_ID
       _Distance_constraint_stats.Atom_2_entity_assembly_ID
       _Distance_constraint_stats.Atom_2_comp_index_ID
       _Distance_constraint_stats.Atom_2_comp_ID
       _Distance_constraint_stats.Atom_2_ID
       _Distance_constraint_stats.Node_1_distance_val
       _Distance_constraint_stats.Node_1_distance_lower_bound_val
       _Distance_constraint_stats.Node_1_distance_upper_bound_val
       _Distance_constraint_stats.Distance_average
       _Distance_constraint_stats.Distance_minimum
       _Distance_constraint_stats.Distance_maximum
       _Distance_constraint_stats.Max_violation
       _Distance_constraint_stats.Max_violation_model_number
       _Distance_constraint_stats.Over_cutoff_violation_count
       _Distance_constraint_stats.Over_cutoff_viol_per_model
       _Distance_constraint_stats.Distance_constraint_stats_ID

       1 1  8 CYS SG 1 119 CYS SG 2.020 . 2.120 2.022 2.022 2.022 . 0 0 "[ ]" 2 
       2 1 21 CYS SG 1  27 CYS SG 2.020 . 2.120 2.023 2.023 2.023 . 0 0 "[ ]" 2 
       3 1 73 CYS SG 1  78 CYS SG 2.020 . 2.120 2.027 2.027 2.027 . 0 0 "[ ]" 2 
    stop_

save_



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