NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype subsubtype
522508 2leg 17710 cing 4-filtered-FRED Wattos check violation distance


data_2leg


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              113
    _Distance_constraint_stats_list.Viol_count                    134
    _Distance_constraint_stats_list.Viol_total                    357.328
    _Distance_constraint_stats_list.Viol_max                      0.529
    _Distance_constraint_stats_list.Viol_rms                      0.1118
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0316
    _Distance_constraint_stats_list.Viol_average_violations_only  0.2667
    _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

       2  14 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  15 TRP 0.387 0.148  7 0 "[    .    1]" 
       2  18 MET 0.000 0.000  . 0 "[    .    1]" 
       2  21 THR 0.000 0.000  . 0 "[    .    1]" 
       2  22 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  24 ALA 5.069 0.529 10 8 "[ -* *****+]" 
       2  25 LEU 5.069 0.529 10 8 "[ -* *****+]" 
       2  26 GLU 0.000 0.000  . 0 "[    .    1]" 
       2  27 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  29 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  30 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  31 TRP 0.000 0.000  . 0 "[    .    1]" 
       2  32 PHE 0.000 0.000  . 0 "[    .    1]" 
       2  33 GLN 0.000 0.000  . 0 "[    .    1]" 
       2  40 PRO 0.057 0.057  1 0 "[    .    1]" 
       2  48 ARG 0.000 0.000  . 0 "[    .    1]" 
       2  49 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  50 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  51 LEU 0.138 0.074  7 0 "[    .    1]" 
       2  52 PHE 0.138 0.074  7 0 "[    .    1]" 
       2  53 GLY 0.000 0.000  . 0 "[    .    1]" 
       2  54 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  55 LEU 0.032 0.032  6 0 "[    .    1]" 
       2  56 GLY 0.032 0.032  6 0 "[    .    1]" 
       2  57 ALA 0.640 0.210  9 0 "[    .    1]" 
       2  58 ALA 0.236 0.148  7 0 "[    .    1]" 
       2  59 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  60 ILE 0.000 0.000  . 0 "[    .    1]" 
       2  61 GLY 0.128 0.058  2 0 "[    .    1]" 
       2  62 ALA 0.133 0.133  4 0 "[    .    1]" 
       2  63 ILE 0.000 0.000  . 0 "[    .    1]" 
       2  64 ALA 5.013 0.512  8 3 "[ -  .  + *]" 
       2  65 PRO 6.172 0.512  8 3 "[ -  .  + *]" 
       2  66 LYS 0.793 0.250  6 0 "[    .    1]" 
       2  67 THR 4.519 0.466  8 0 "[    .    1]" 
       2  68 PRO 4.731 0.466  8 0 "[    .    1]" 
       2  69 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  70 ARG 1.836 0.250  6 0 "[    .    1]" 
       2  71 TYR 1.216 0.287  2 0 "[    .    1]" 
       2  72 VAL 0.212 0.212  9 0 "[    .    1]" 
       2  73 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  74 MET 0.098 0.068  8 0 "[    .    1]" 
       2  75 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  76 ILE 0.000 0.000  . 0 "[    .    1]" 
       2  77 TRP 0.640 0.210  9 0 "[    .    1]" 
       2  78 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  82 PHE 0.000 0.000  . 0 "[    .    1]" 
       2  83 ARG 0.000 0.000  . 0 "[    .    1]" 
       2  84 GLY 0.000 0.000  . 0 "[    .    1]" 
       2  86 GLN 0.000 0.000  . 0 "[    .    1]" 
       2  87 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  88 THR 0.000 0.000  . 0 "[    .    1]" 
       2  92 THR 0.000 0.000  . 0 "[    .    1]" 
       2  93 MET 0.000 0.000  . 0 "[    .    1]" 
       2  94 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  95 GLN 0.000 0.000  . 0 "[    .    1]" 
       2  96 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  97 TYR 5.147 0.510  6 3 "[    .+-* 1]" 
       2  98 PRO 5.147 0.510  6 3 "[    .+-* 1]" 
       2  99 SER 5.298 0.516  2 6 "[ +*-.  ***]" 
       2 100 PRO 5.298 0.516  2 6 "[ +*-.  ***]" 
       2 102 ALA 4.963 0.517  1 4 "[+   -* * 1]" 
       2 103 THR 5.029 0.517  1 4 "[+   -* * 1]" 
       2 104 CYS 0.000 0.000  . 0 "[    .    1]" 
       2 105 ASP 0.067 0.067  4 0 "[    .    1]" 
       2 108 VAL 0.488 0.196  2 0 "[    .    1]" 
       2 110 PHE 0.501 0.101  2 0 "[    .    1]" 
       2 111 PRO 0.501 0.101  2 0 "[    .    1]" 
       2 113 TRP 0.000 0.000  . 0 "[    .    1]" 
       2 115 PRO 0.000 0.000  . 0 "[    .    1]" 
       2 117 ASP 0.597 0.196  2 0 "[    .    1]" 
       2 118 LYS 0.109 0.109  3 0 "[    .    1]" 
       2 121 PRO 0.000 0.000  . 0 "[    .    1]" 
       2 126 ALA 0.057 0.057  1 0 "[    .    1]" 
       2 145 TRP 0.000 0.000  . 0 "[    .    1]" 
       2 146 LEU 0.000 0.000  . 0 "[    .    1]" 
       2 147 LEU 0.000 0.000  . 0 "[    .    1]" 
       2 148 GLY 0.000 0.000  . 0 "[    .    1]" 
       2 149 ILE 0.000 0.000  . 0 "[    .    1]" 
       2 150 PHE 0.000 0.000  . 0 "[    .    1]" 
       2 151 ILE 0.000 0.000  . 0 "[    .    1]" 
       2 152 ALA 0.000 0.000  . 0 "[    .    1]" 
       2 153 TYR 0.000 0.000  . 0 "[    .    1]" 
       2 154 LEU 0.000 0.000  . 0 "[    .    1]" 
       2 155 ILE 0.000 0.000  . 0 "[    .    1]" 
       2 156 VAL 0.000 0.000  . 0 "[    .    1]" 
       2 157 ALA 0.098 0.068  8 0 "[    .    1]" 
       2 158 VAL 0.000 0.000  . 0 "[    .    1]" 
       2 159 LEU 0.000 0.000  . 0 "[    .    1]" 
       2 160 VAL 0.876 0.247  5 0 "[    .    1]" 
       2 161 VAL 0.000 0.000  . 0 "[    .    1]" 
    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 2  14 ALA CA  2  15 TRP CA      . 3.000 5.000 3.813 3.782 3.847     .  0 0 "[    .    1]" 1 
         2 2  24 ALA CA  2  27 LEU CB  6.000 3.000 9.000 4.509 3.997 5.025     .  0 0 "[    .    1]" 1 
         3 2  30 LEU CB  2  32 PHE CA  6.000 3.000 9.000 7.200 6.487 8.193     .  0 0 "[    .    1]" 1 
         4 2  40 PRO CD  2 126 ALA CA  6.000 3.000 9.000 7.197 5.274 9.057 0.057  1 0 "[    .    1]" 1 
         5 2  51 LEU CB  2  53 GLY CA  6.000 3.000 9.000 6.801 6.674 6.914     .  0 0 "[    .    1]" 1 
         6 2  50 ALA CA  2  53 GLY CA  6.000 3.000 9.000 4.989 4.705 5.188     .  0 0 "[    .    1]" 1 
         7 2  52 PHE CA  2  53 GLY CA  6.000 3.000 7.500 3.796 3.785 3.809     .  0 0 "[    .    1]" 1 
         8 2  53 GLY CA  2  54 VAL CA  6.000 3.000 9.000 3.811 3.787 3.841     .  0 0 "[    .    1]" 1 
         9 2  53 GLY CA  2  55 LEU CB  6.000 3.000 9.000 6.246 5.874 6.735     .  0 0 "[    .    1]" 1 
        10 2  55 LEU CB  2  56 GLY CA      . 3.000 5.000 4.413 4.294 4.505     .  0 0 "[    .    1]" 1 
        11 2  56 GLY CA  2  57 ALA CA      . 3.000 5.000 3.795 3.777 3.811     .  0 0 "[    .    1]" 1 
        12 2  57 ALA CA  2  60 ILE CA  6.000 3.000 9.000 5.007 4.700 5.536     .  0 0 "[    .    1]" 1 
        13 2  56 GLY CA  2  59 LEU CB  6.000 3.000 7.500 4.501 3.870 5.500     .  0 0 "[    .    1]" 1 
        14 2  61 GLY CA  2  62 ALA CA  6.000 3.000 6.000 3.810 3.780 3.857     .  0 0 "[    .    1]" 1 
        15 2  70 ARG CD  2  71 TYR CA  6.000 3.000 9.000 5.506 3.801 7.482     .  0 0 "[    .    1]" 1 
        16 2  96 LEU CB  2  97 TYR CA      . 3.000 5.000 4.707 4.290 4.977     .  0 0 "[    .    1]" 1 
        17 2  99 SER CA  2 100 PRO CD  6.000 3.000 9.000 2.970 2.918 3.004 0.082 10 0 "[    .    1]" 1 
        18 2 158 VAL CA  2 159 LEU CB  6.000 3.000 9.000 4.890 4.843 4.947     .  0 0 "[    .    1]" 1 
        19 2  21 THR N   2  24 ALA CA  6.000 3.000 9.000 5.393 5.236 5.696     .  0 0 "[    .    1]" 1 
        20 2  48 ARG CD  2  49 VAL N   6.000 3.000 9.000 5.264 4.346 5.672     .  0 0 "[    .    1]" 1 
        21 2  51 LEU CB  2  52 PHE N   6.000 3.000 9.000 3.037 2.926 3.108 0.074  7 0 "[    .    1]" 1 
        22 2  53 GLY N   2  57 ALA CA  6.000 3.000 9.000 6.574 5.775 7.175     .  0 0 "[    .    1]" 1 
        23 2  54 VAL N   2  55 LEU CB  6.000 3.000 9.000 5.081 4.951 5.295     .  0 0 "[    .    1]" 1 
        24 2  55 LEU CB  2  56 GLY N   6.000 3.000 9.000 3.087 2.968 3.184 0.032  6 0 "[    .    1]" 1 
        25 2  61 GLY N   2  65 PRO CD  6.000 3.000 9.000 7.392 5.380 9.058 0.058  2 0 "[    .    1]" 1 
        26 2  62 ALA CA  2  65 PRO N   6.000 3.000 9.000 6.292 4.686 8.165     .  0 0 "[    .    1]" 1 
        27 2  64 ALA CA  2  65 PRO N   6.000 3.000 9.000 2.521 2.488 2.558 0.512  8 3 "[ -  .  + *]" 1 
        28 2  65 PRO N   2  70 ARG CD  6.000 3.000 9.000 6.505 5.250 7.666     .  0 0 "[    .    1]" 1 
        29 2  65 PRO N   2  71 TYR CA  6.000 3.000 9.000 9.104 8.829 9.287 0.287  2 0 "[    .    1]" 1 
        30 2  66 LYS CA  2  68 PRO N   6.000 3.000 9.000 4.946 4.433 5.494     .  0 0 "[    .    1]" 1 
        31 2  67 THR CA  2  68 PRO N   6.000 3.000 9.000 2.548 2.534 2.582 0.466  8 0 "[    .    1]" 1 
        32 2  68 PRO CD  2  72 VAL N   6.000 3.000 9.000 8.765 8.010 9.212 0.212  9 0 "[    .    1]" 1 
        33 2  75 VAL N   2  78 LEU CB  6.000 3.000 9.000 4.571 4.196 5.096     .  0 0 "[    .    1]" 1 
        34 2  83 ARG CD  2  84 GLY N   6.000 3.000 9.000 4.801 3.424 5.498     .  0 0 "[    .    1]" 1 
        35 2  84 GLY N   2  87 LEU CB  6.000 3.000 9.000 5.150 4.472 6.735     .  0 0 "[    .    1]" 1 
        36 2  92 THR N   2  94 LEU CB  6.000 3.000 9.000 5.092 4.833 5.386     .  0 0 "[    .    1]" 1 
        37 2  97 TYR CA  2  98 PRO N   6.000 3.000 9.000 2.508 2.490 2.530 0.510  6 3 "[    .+-* 1]" 1 
        38 2  99 SER CA  2 100 PRO N   6.000 3.000 9.000 2.501 2.484 2.527 0.516  2 6 "[ +*-.  ***]" 1 
        39 2 102 ALA CA  2 103 THR N   6.000 3.000 9.000 2.504 2.483 2.521 0.517  1 4 "[+   -* * 1]" 1 
        40 2 103 THR N   2 104 CYS CB  6.000 3.000 9.000 5.922 5.619 6.056     .  0 0 "[    .    1]" 1 
        41 2 117 ASP CB  2 121 PRO N   6.000 3.000 9.000 6.446 5.113 7.442     .  0 0 "[    .    1]" 1 
        42 2 147 LEU CB  2 148 GLY N   6.000 3.000 9.000 3.268 3.114 3.386     .  0 0 "[    .    1]" 1 
        43 2 153 TYR N   2 154 LEU CB  6.000 3.000 9.000 4.832 4.730 5.027     .  0 0 "[    .    1]" 1 
        44 2  70 ARG CD  2 160 VAL N   6.000 3.000 9.000 9.019 8.512 9.247 0.247  5 0 "[    .    1]" 1 
        45 2  70 ARG CD  2 161 VAL N   6.000 3.000 9.000 6.950 6.065 8.367     .  0 0 "[    .    1]" 1 
        46 2  22 ALA CA  2  25 LEU CB  6.000 3.000 7.500 4.587 4.091 4.910     .  0 0 "[    .    1]" 1 
        47 2  24 ALA CA  2  25 LEU CB  6.000 3.000 9.000 4.955 4.920 4.984     .  0 0 "[    .    1]" 1 
        48 2  31 TRP CA  2  32 PHE CA      . 3.000 5.000 3.806 3.777 3.838     .  0 0 "[    .    1]" 1 
        49 2  49 VAL CB  2  50 ALA CA  6.000 3.000 9.000 4.520 4.459 4.609     .  0 0 "[    .    1]" 1 
        50 2  49 VAL CA  2  50 ALA CA  6.000 3.000 9.000 3.791 3.762 3.819     .  0 0 "[    .    1]" 1 
        51 2  54 VAL CB  2  55 LEU CB  6.000 3.000 6.000 5.340 5.133 5.523     .  0 0 "[    .    1]" 1 
        52 2  58 ALA CA  2  59 LEU CB  6.000 3.000 9.000 4.854 4.744 4.943     .  0 0 "[    .    1]" 1 
        53 2  69 LEU CB  2  70 ARG CD  6.000 3.000 9.000 7.673 7.450 7.921     .  0 0 "[    .    1]" 1 
        54 2  64 ALA CA  2  70 ARG CD  6.000 3.000 9.000 7.747 5.232 9.204 0.204 10 0 "[    .    1]" 1 
        55 2  69 LEU C   2  70 ARG CD  6.000 3.000 9.000 5.268 4.926 5.460     .  0 0 "[    .    1]" 1 
        56 2  70 ARG CD  2  74 MET CA  6.000 3.000 9.000 7.088 5.941 8.756     .  0 0 "[    .    1]" 1 
        57 2  72 VAL CA  2  73 ALA CA  6.000 3.000 9.000 3.797 3.778 3.827     .  0 0 "[    .    1]" 1 
        58 2  73 ALA CA  2  74 MET CA  6.000 3.000 9.000 3.803 3.787 3.832     .  0 0 "[    .    1]" 1 
        59 2  74 MET CA  2  75 VAL CB  6.000 3.000 9.000 4.880 4.854 4.901     .  0 0 "[    .    1]" 1 
        60 2  73 ALA CA  2  76 ILE CB  6.000 3.000 9.000 4.692 3.940 5.728     .  0 0 "[    .    1]" 1 
        61 2  83 ARG CA  2  84 GLY CA  6.000 3.000 9.000 3.776 3.752 3.800     .  0 0 "[    .    1]" 1 
        62 2  83 ARG CA  2  87 LEU CG  6.000 3.000 9.000 5.898 4.975 7.036     .  0 0 "[    .    1]" 1 
        63 2  93 MET CA  2  97 TYR CA  6.000 3.000 9.000 6.801 5.886 7.985     .  0 0 "[    .    1]" 1 
        64 2  94 LEU CB  2  99 SER CA  6.000 3.000 9.000 6.599 5.397 7.352     .  0 0 "[    .    1]" 1 
        65 2  97 TYR CA  2  98 PRO CD      . 3.000 5.000 2.979 2.938 3.015 0.062  8 0 "[    .    1]" 1 
        66 2  99 SER CA  2 102 ALA CA  6.000 3.000 9.000 6.856 5.424 8.475     .  0 0 "[    .    1]" 1 
        67 2 110 PHE CA  2 111 PRO CD  6.000 3.000 9.000 2.950 2.899 3.001 0.101  2 0 "[    .    1]" 1 
        68 2 113 TRP CA  2 115 PRO CD  6.000 3.000 7.500 5.544 4.027 6.472     .  0 0 "[    .    1]" 1 
        69 2 145 TRP CA  2 148 GLY CA  6.000 3.000 9.000 5.712 5.017 6.350     .  0 0 "[    .    1]" 1 
        70 2 146 LEU CB  2 148 GLY CA  6.000 3.000 9.000 6.748 6.432 7.038     .  0 0 "[    .    1]" 1 
        71 2 148 GLY CA  2 151 ILE CA  6.000 3.000 9.000 5.219 4.791 5.679     .  0 0 "[    .    1]" 1 
        72 2 156 VAL CA  2 159 LEU CB  6.000 3.000 9.000 4.632 4.221 5.075     .  0 0 "[    .    1]" 1 
        73 2 156 VAL CB  2 159 LEU CB  6.000 3.000 9.000 5.829 5.401 6.305     .  0 0 "[    .    1]" 1 
        74 2 159 LEU CB  2 160 VAL CA  6.000 3.000 9.000 4.489 4.420 4.639     .  0 0 "[    .    1]" 1 
        75 2  70 ARG CD  2 160 VAL CB  6.000 3.000 9.000 7.783 7.367 8.364     .  0 0 "[    .    1]" 1 
        76 2 159 LEU CB  2 160 VAL CB  6.000 3.000 9.000 5.416 5.166 5.755     .  0 0 "[    .    1]" 1 
        77 2  15 TRP CB  2  58 ALA CB  6.000 3.000 9.000 8.076 6.111 9.148 0.148  7 0 "[    .    1]" 1 
        78 2  15 TRP CB  2  61 GLY C   6.000 3.000 9.000 7.638 5.582 9.018 0.018 10 0 "[    .    1]" 1 
        79 2  15 TRP CB  2  62 ALA C   6.000 3.000 9.000 6.543 4.859 9.133 0.133  4 0 "[    .    1]" 1 
        80 2  24 ALA C   2  25 LEU CA  6.000 3.000 9.000 2.493 2.471 2.507 0.529 10 8 "[ -* *****+]" 1 
        81 2  26 GLU CB  2  29 ALA C   6.000 3.000 9.000 7.117 6.785 7.393     .  0 0 "[    .    1]" 1 
        82 2  29 ALA CB  2  33 GLN CB  6.000 3.000 9.000 7.426 6.360 8.901     .  0 0 "[    .    1]" 1 
        83 2  48 ARG CG  2  52 PHE CB  6.000 3.000 9.000 6.254 4.202 7.572     .  0 0 "[    .    1]" 1 
        84 2  57 ALA CB  2  76 ILE CG1 6.000 3.000 9.000 5.131 3.350 6.925     .  0 0 "[    .    1]" 1 
        85 2  57 ALA CB  2  77 TRP CB  6.000 3.000 9.000 8.864 8.097 9.210 0.210  9 0 "[    .    1]" 1 
        86 2  18 MET CG  2  58 ALA CB  6.000 3.000 9.000 5.721 4.256 8.202     .  0 0 "[    .    1]" 1 
        87 2  56 GLY C   2  60 ILE CG1 6.000 3.000 9.000 4.451 3.142 6.367     .  0 0 "[    .    1]" 1 
        88 2  56 GLY C   2  60 ILE CG2 6.000 3.000 9.000 5.527 4.739 6.771     .  0 0 "[    .    1]" 1 
        89 2  61 GLY C   2  63 ILE CG1 6.000 3.000 9.000 5.488 4.027 6.419     .  0 0 "[    .    1]" 1 
        90 2  65 PRO CG  2  66 LYS CE  6.000 3.000 9.000 7.005 5.642 9.052 0.052  5 0 "[    .    1]" 1 
        91 2  67 THR CG2 2  68 PRO CG  6.000 3.000 9.000 6.191 5.263 6.863     .  0 0 "[    .    1]" 1 
        92 2  66 LYS CE  2  70 ARG CG  6.000 3.000 9.000 8.757 6.344 9.250 0.250  6 0 "[    .    1]" 1 
        93 2  73 ALA CB  2  74 MET CB  6.000 3.000 9.000 5.364 5.044 5.661     .  0 0 "[    .    1]" 1 
        94 2  73 ALA C   2  74 MET CG  6.000 3.000 9.000 4.580 3.943 4.982     .  0 0 "[    .    1]" 1 
        95 2  53 GLY C   2  76 ILE CG1 6.000 3.000 9.000 7.050 5.173 8.674     .  0 0 "[    .    1]" 1 
        96 2  73 ALA C   2  77 TRP CB  6.000 3.000 9.000 4.448 4.115 5.208     .  0 0 "[    .    1]" 1 
        97 2  74 MET C   2  77 TRP CB  6.000 3.000 9.000 4.419 3.794 4.765     .  0 0 "[    .    1]" 1 
        98 2  77 TRP CB  2 157 ALA CB  6.000 3.000 9.000 5.161 3.801 7.023     .  0 0 "[    .    1]" 1 
        99 2  50 ALA CB  2  84 GLY C   6.000 3.000 9.000 6.610 4.738 8.062     .  0 0 "[    .    1]" 1 
       100 2  82 PHE CB  2  86 GLN CB  6.000 3.000 9.000 6.665 5.602 7.419     .  0 0 "[    .    1]" 1 
       101 2  86 GLN CB  2  87 LEU CA  6.000 3.000 9.000 4.571 4.400 4.754     .  0 0 "[    .    1]" 1 
       102 2  88 THR CG2 2 150 PHE CB  6.000 3.000 9.000 4.390 3.220 6.496     .  0 0 "[    .    1]" 1 
       103 2  92 THR C   2  95 GLN CB  6.000 3.000 6.000 4.155 3.763 4.594     .  0 0 "[    .    1]" 1 
       104 2 103 THR CG2 2 105 ASP CB  6.000 3.000 9.000 6.534 5.192 9.067 0.067  4 0 "[    .    1]" 1 
       105 2 108 VAL CG1 2 117 ASP CB  6.000 3.000 9.000 8.525 6.898 9.196 0.196  2 0 "[    .    1]" 1 
       106 2 117 ASP CB  2 118 LYS CD  6.000 3.000 7.500 6.639 5.317 7.609 0.109  3 0 "[    .    1]" 1 
       107 2 146 LEU CA  2 149 ILE CG1 6.000 3.000 9.000 5.681 3.834 6.757     .  0 0 "[    .    1]" 1 
       108 2 148 GLY C   2 149 ILE CG1 6.000 3.000 6.000 4.765 4.483 4.944     .  0 0 "[    .    1]" 1 
       109 2 149 ILE CG2 2 150 PHE CB  6.000 3.000 9.000 5.213 4.348 6.802     .  0 0 "[    .    1]" 1 
       110 2 152 ALA C   2 155 ILE CG1 6.000 3.000 9.000 4.675 3.708 6.270     .  0 0 "[    .    1]" 1 
       111 2  74 MET CG  2 157 ALA CB  6.000 3.000 9.000 8.461 6.385 9.068 0.068  8 0 "[    .    1]" 1 
       112 2 157 ALA C   2 158 VAL CG1 6.000 3.000 9.000 4.605 4.146 4.923     .  0 0 "[    .    1]" 1 
       113 2 157 ALA C   2 158 VAL CG2 6.000 3.000 9.000 4.368 3.977 4.915     .  0 0 "[    .    1]" 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              375
    _Distance_constraint_stats_list.Viol_count                    102
    _Distance_constraint_stats_list.Viol_total                    203.448
    _Distance_constraint_stats_list.Viol_max                      0.699
    _Distance_constraint_stats_list.Viol_rms                      0.0407
    _Distance_constraint_stats_list.Viol_average_all_restraints   0.0054
    _Distance_constraint_stats_list.Viol_average_violations_only  0.1995
    _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

       2  14 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  15 TRP 0.893 0.098  1 0 "[    .    1]" 
       2  16 LEU 0.893 0.098  1 0 "[    .    1]" 
       2  17 LEU 0.893 0.098  1 0 "[    .    1]" 
       2  18 MET 0.000 0.000  . 0 "[    .    1]" 
       2  19 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  20 PHE 0.000 0.000  . 0 "[    .    1]" 
       2  21 THR 0.000 0.000  . 0 "[    .    1]" 
       2  22 ALA 3.250 0.439  8 0 "[    .    1]" 
       2  23 LEU 0.893 0.098  1 0 "[    .    1]" 
       2  24 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  25 LEU 0.893 0.098  1 0 "[    .    1]" 
       2  26 GLU 3.250 0.439  8 0 "[    .    1]" 
       2  27 LEU 1.361 0.242  6 0 "[    .    1]" 
       2  28 THR 0.468 0.242  6 0 "[    .    1]" 
       2  29 ALA 0.893 0.098  1 0 "[    .    1]" 
       2  30 LEU 0.893 0.098  1 0 "[    .    1]" 
       2  31 TRP 0.000 0.000  . 0 "[    .    1]" 
       2  32 PHE 0.000 0.000  . 0 "[    .    1]" 
       2  33 GLN 0.000 0.000  . 0 "[    .    1]" 
       2  34 HIS 0.069 0.069  4 0 "[    .    1]" 
       2  35 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  36 MET 0.069 0.069  4 0 "[    .    1]" 
       2  37 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  38 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  39 LYS 0.000 0.000  . 0 "[    .    1]" 
       2  40 PRO 0.000 0.000  . 0 "[    .    1]" 
       2  42 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  43 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  44 CYS 0.000 0.000  . 0 "[    .    1]" 
       2  45 ILE 0.000 0.000  . 0 "[    .    1]" 
       2  46 TYR 0.000 0.000  . 0 "[    .    1]" 
       2  47 GLU 0.000 0.000  . 0 "[    .    1]" 
       2  48 ARG 0.262 0.171 10 0 "[    .    1]" 
       2  49 VAL 0.262 0.171 10 0 "[    .    1]" 
       2  50 ALA 0.893 0.098  1 0 "[    .    1]" 
       2  51 LEU 0.893 0.098  1 0 "[    .    1]" 
       2  52 PHE 0.893 0.098  1 0 "[    .    1]" 
       2  53 GLY 0.000 0.000  . 0 "[    .    1]" 
       2  54 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  55 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  56 GLY 0.337 0.297  7 0 "[    .    1]" 
       2  57 ALA 0.893 0.098  1 0 "[    .    1]" 
       2  58 ALA 0.893 0.098  1 0 "[    .    1]" 
       2  59 LEU 2.481 0.695  5 1 "[    +    1]" 
       2  60 ILE 1.445 0.522  9 1 "[    .   +1]" 
       2  61 GLY 0.000 0.000  . 0 "[    .    1]" 
       2  62 ALA 1.588 0.695  5 1 "[    +    1]" 
       2  63 ILE 1.108 0.522  9 1 "[    .   +1]" 
       2  64 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  65 PRO 0.120 0.075  8 0 "[    .    1]" 
       2  66 LYS 0.000 0.000  . 0 "[    .    1]" 
       2  67 THR 0.000 0.000  . 0 "[    .    1]" 
       2  68 PRO 3.593 0.699  1 2 "[+-  .    1]" 
       2  69 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  70 ARG 3.670 0.699  1 2 "[+-  .    1]" 
       2  71 TYR 0.000 0.000  . 0 "[    .    1]" 
       2  72 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  73 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  74 MET 0.196 0.107  6 0 "[    .    1]" 
       2  75 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  76 ILE 0.000 0.000  . 0 "[    .    1]" 
       2  77 TRP 0.000 0.000  . 0 "[    .    1]" 
       2  78 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  79 TYR 0.000 0.000  . 0 "[    .    1]" 
       2  80 SER 0.016 0.016  8 0 "[    .    1]" 
       2  81 ALA 0.000 0.000  . 0 "[    .    1]" 
       2  82 PHE 0.016 0.016  8 0 "[    .    1]" 
       2  83 ARG 0.442 0.301  2 0 "[    .    1]" 
       2  84 GLY 0.000 0.000  . 0 "[    .    1]" 
       2  85 VAL 0.000 0.000  . 0 "[    .    1]" 
       2  86 GLN 0.442 0.301  2 0 "[    .    1]" 
       2  87 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  88 THR 0.000 0.000  . 0 "[    .    1]" 
       2  90 GLU 0.000 0.000  . 0 "[    .    1]" 
       2  91 HIS 0.000 0.000  . 0 "[    .    1]" 
       2  92 THR 0.000 0.000  . 0 "[    .    1]" 
       2  93 MET 0.000 0.000  . 0 "[    .    1]" 
       2  94 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  95 GLN 0.000 0.000  . 0 "[    .    1]" 
       2  96 LEU 0.000 0.000  . 0 "[    .    1]" 
       2  97 TYR 0.000 0.000  . 0 "[    .    1]" 
       2  98 PRO 0.000 0.000  . 0 "[    .    1]" 
       2  99 SER 0.000 0.000  . 0 "[    .    1]" 
       2 100 PRO 1.183 0.471  7 0 "[    .    1]" 
       2 102 ALA 1.959 0.471  7 0 "[    .    1]" 
       2 103 THR 0.000 0.000  . 0 "[    .    1]" 
       2 104 CYS 2.718 0.502  6 1 "[    .+   1]" 
       2 105 ASP 0.012 0.012  5 0 "[    .    1]" 
       2 108 VAL 1.953 0.502  6 1 "[    .+   1]" 
       2 109 ARG 0.410 0.329  7 0 "[    .    1]" 
       2 110 PHE 0.000 0.000  . 0 "[    .    1]" 
       2 111 PRO 0.410 0.329  7 0 "[    .    1]" 
       2 112 GLU 0.000 0.000  . 0 "[    .    1]" 
       2 113 TRP 0.000 0.000  . 0 "[    .    1]" 
       2 114 LEU 0.000 0.000  . 0 "[    .    1]" 
       2 115 PRO 1.526 0.353  5 0 "[    .    1]" 
       2 116 LEU 0.000 0.000  . 0 "[    .    1]" 
       2 117 ASP 0.151 0.151  7 0 "[    .    1]" 
       2 118 LYS 0.000 0.000  . 0 "[    .    1]" 
       2 119 TRP 0.000 0.000  . 0 "[    .    1]" 
       2 120 VAL 0.294 0.151  7 0 "[    .    1]" 
       2 121 PRO 1.526 0.353  5 0 "[    .    1]" 
       2 122 GLN 0.000 0.000  . 0 "[    .    1]" 
       2 123 VAL 0.143 0.143  2 0 "[    .    1]" 
       2 124 PHE 0.000 0.000  . 0 "[    .    1]" 
       2 125 VAL 0.000 0.000  . 0 "[    .    1]" 
       2 126 ALA 0.000 0.000  . 0 "[    .    1]" 
       2 142 MET 0.000 0.000  . 0 "[    .    1]" 
       2 143 PRO 0.000 0.000  . 0 "[    .    1]" 
       2 145 TRP 0.893 0.098  1 0 "[    .    1]" 
       2 146 LEU 0.893 0.098  1 0 "[    .    1]" 
       2 147 LEU 2.279 0.310  2 0 "[    .    1]" 
       2 148 GLY 0.000 0.000  . 0 "[    .    1]" 
       2 149 ILE 1.029 0.287 10 0 "[    .    1]" 
       2 150 PHE 0.000 0.000  . 0 "[    .    1]" 
       2 151 ILE 0.416 0.310  2 0 "[    .    1]" 
       2 152 ALA 0.893 0.098  1 0 "[    .    1]" 
       2 153 TYR 2.202 0.234  8 0 "[    .    1]" 
       2 154 LEU 0.893 0.098  1 0 "[    .    1]" 
       2 155 ILE 1.367 0.234  8 0 "[    .    1]" 
       2 156 VAL 0.000 0.000  . 0 "[    .    1]" 
       2 157 ALA 0.979 0.098  1 0 "[    .    1]" 
       2 158 VAL 0.000 0.000  . 0 "[    .    1]" 
       2 159 LEU 0.983 0.098  1 0 "[    .    1]" 
       2 160 VAL 0.086 0.086  8 0 "[    .    1]" 
       2 161 VAL 0.000 0.000  . 0 "[    .    1]" 
       2 162 ILE 0.090 0.090  4 0 "[    .    1]" 
    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 2  28 THR CG2 2  29 ALA CB  4.900 . 8.000 4.753 4.337 5.402     .  0 0 "[    .    1]" 2 
         2 2  21 THR C   2  22 ALA CB  3.400 . 5.000 3.252 3.233 3.269     .  0 0 "[    .    1]" 2 
         3 2 108 VAL CG1 2 109 ARG CB  4.650 . 7.500 5.808 4.967 6.405     .  0 0 "[    .    1]" 2 
         4 2  59 LEU CA  2  62 ALA CB  4.650 . 7.500 6.207 5.124 6.964     .  0 0 "[    .    1]" 2 
         5 2  16 LEU CA  2  18 MET CB  4.650 . 7.500 3.964 3.863 4.051     .  0 0 "[    .    1]" 2 
         6 2  47 GLU CA  2  48 ARG CB  3.900 . 6.000 4.168 4.114 4.232     .  0 0 "[    .    1]" 2 
         7 2  15 TRP CB  2  16 LEU CA  3.900 . 6.000 3.766 3.680 3.852     .  0 0 "[    .    1]" 2 
         8 2  15 TRP CB  2  16 LEU CA  3.400 . 5.000 4.494 4.356 4.738     .  0 0 "[    .    1]" 2 
         9 2  43 LEU CA  2  44 CYS CB  3.900 . 6.000 4.030 3.871 4.200     .  0 0 "[    .    1]" 2 
        10 2  22 ALA CB  2  26 GLU CA  4.650 . 7.500 5.650 5.269 5.824     .  0 0 "[    .    1]" 2 
        11 2  18 MET CA  2  19 ALA CB  4.650 . 7.500 4.416 4.090 4.589     .  0 0 "[    .    1]" 2 
        12 2  22 ALA CB  2  23 LEU CA  3.400 . 5.000 3.768 3.739 3.807     .  0 0 "[    .    1]" 2 
        13 2  29 ALA CB  2  30 LEU CA  3.400 . 5.000 3.943 3.876 4.042     .  0 0 "[    .    1]" 2 
        14 2  22 ALA CB  2  26 GLU CB  4.650 . 7.500 5.416 4.471 5.831     .  0 0 "[    .    1]" 2 
        15 2  23 LEU CA  2  23 LEU CD1 3.400 . 5.000 2.926 2.741 3.145     .  0 0 "[    .    1]" 2 
        16 2 147 LEU CA  2 147 LEU CD1 3.400 . 5.000 2.937 2.736 3.173     .  0 0 "[    .    1]" 2 
        17 2  30 LEU CA  2  30 LEU CD1 3.400 . 5.000 3.047 2.971 3.179     .  0 0 "[    .    1]" 2 
        18 2  23 LEU CA  2  26 GLU CB  3.400 . 5.000 3.769 3.583 3.867     .  0 0 "[    .    1]" 2 
        19 2  22 ALA CB  2  26 GLU CB  4.650 . 7.500 5.243 4.431 5.565     .  0 0 "[    .    1]" 2 
        20 2  63 ILE CD1 2  63 ILE CG2 3.900 . 5.000 3.040 2.744 3.890     .  0 0 "[    .    1]" 2 
        21 2  45 ILE CG2 2  48 ARG CB  4.650 . 7.500 6.160 4.165 6.730     .  0 0 "[    .    1]" 2 
        22 2  26 GLU CB  2  29 ALA CB  4.900 . 8.000 5.875 5.553 6.174     .  0 0 "[    .    1]" 2 
        23 2 153 TYR CB  2 154 LEU CA  4.650 . 7.500 4.564 4.399 4.668     .  0 0 "[    .    1]" 2 
        24 2  68 PRO CA  2  70 ARG CG  4.900 . 8.000 5.582 4.673 6.675     .  0 0 "[    .    1]" 2 
        25 2  28 THR CA  2  30 LEU CD1 4.900 . 8.000 6.922 6.034 7.579     .  0 0 "[    .    1]" 2 
        26 2  60 ILE CG2 2  61 GLY C   4.650 . 7.500 4.854 4.194 5.427     .  0 0 "[    .    1]" 2 
        27 2  61 GLY C   2  62 ALA CB  4.650 . 7.500 3.538 3.045 3.726     .  0 0 "[    .    1]" 2 
        28 2  44 CYS C   2  45 ILE CG2 3.900 . 6.000 3.614 3.025 4.065     .  0 0 "[    .    1]" 2 
        29 2 125 VAL C   2 126 ALA CB  3.400 . 5.000 3.518 3.247 3.719     .  0 0 "[    .    1]" 2 
        30 2  46 TYR C   2  50 ALA CB  4.900 . 8.000 3.519 3.356 3.647     .  0 0 "[    .    1]" 2 
        31 2 156 VAL C   2 157 ALA CB  4.900 . 8.000 3.699 3.686 3.714     .  0 0 "[    .    1]" 2 
        32 2  72 VAL CG1 2  73 ALA CB  4.900 . 8.000 5.812 4.354 7.032     .  0 0 "[    .    1]" 2 
        33 2 155 ILE C   2 157 ALA CB  4.650 . 7.500 4.561 4.356 4.683     .  0 0 "[    .    1]" 2 
        34 2 151 ILE C   2 151 ILE CD1 4.650 . 7.500 4.567 3.039 5.100     .  0 0 "[    .    1]" 2 
        35 2  80 SER C   2  81 ALA CB  3.900 . 6.000 3.691 3.649 3.717     .  0 0 "[    .    1]" 2 
        36 2  54 VAL C   2  57 ALA CB  3.400 . 5.000 2.763 2.556 3.110     .  0 0 "[    .    1]" 2 
        37 2  33 GLN C   2  35 VAL CG2 4.650 . 7.500 4.690 3.410 5.604     .  0 0 "[    .    1]" 2 
        38 2 157 ALA C   2 160 VAL CG1 3.900 . 6.000 4.492 3.533 6.086 0.086  8 0 "[    .    1]" 2 
        39 2 145 TRP C   2 147 LEU CD1 3.900 . 6.000 3.515 3.242 3.895     .  0 0 "[    .    1]" 2 
        40 2  20 PHE C   2  21 THR CG2 3.900 . 6.000 2.865 2.687 3.463     .  0 0 "[    .    1]" 2 
        41 2 104 CYS C   2 108 VAL CG2 4.650 . 7.500 7.520 6.759 8.002 0.502  6 1 "[    .+   1]" 2 
        42 2  53 GLY C   2  54 VAL CG2 3.900 . 6.000 4.686 4.177 4.937     .  0 0 "[    .    1]" 2 
        43 2  54 VAL CG2 2  56 GLY C   4.900 . 8.000 6.760 6.502 6.974     .  0 0 "[    .    1]" 2 
        44 2  84 GLY C   2  85 VAL CG2 3.400 . 5.000 3.035 2.786 3.245     .  0 0 "[    .    1]" 2 
        45 2  20 PHE C   2  21 THR CG2 3.400 . 5.000 2.977 2.680 3.336     .  0 0 "[    .    1]" 2 
        46 2  84 GLY C   2  85 VAL CG1 3.900 . 6.000 2.915 2.709 3.511     .  0 0 "[    .    1]" 2 
        47 2  84 GLY C   2  85 VAL CG1 3.900 . 6.000 2.882 2.704 3.365     .  0 0 "[    .    1]" 2 
        48 2  29 ALA C   2  30 LEU CD1 3.900 . 6.000 3.970 3.722 4.419     .  0 0 "[    .    1]" 2 
        49 2  19 ALA C   2  23 LEU CD1 3.900 . 6.000 4.088 3.554 4.679     .  0 0 "[    .    1]" 2 
        50 2  19 ALA C   2  23 LEU CD1 3.900 . 6.000 4.441 3.457 4.851     .  0 0 "[    .    1]" 2 
        51 2  22 ALA C   2  23 LEU CD1 3.900 . 6.000 4.034 3.471 4.485     .  0 0 "[    .    1]" 2 
        52 2 145 TRP C   2 147 LEU CD1 4.650 . 7.500 4.342 3.522 4.917     .  0 0 "[    .    1]" 2 
        53 2  68 PRO CB  2  70 ARG C   3.900 . 6.000 6.334 5.920 6.699 0.699  1 2 "[+-  .    1]" 2 
        54 2  68 PRO CB  2  70 ARG C   3.900 . 6.000 5.400 3.883 6.058 0.058  7 0 "[    .    1]" 2 
        55 2  18 MET CB  2  21 THR C   4.650 . 7.500 5.219 4.845 5.401     .  0 0 "[    .    1]" 2 
        56 2  45 ILE C   2  48 ARG CB  3.900 . 6.000 3.281 3.217 3.403     .  0 0 "[    .    1]" 2 
        57 2  45 ILE C   2  48 ARG CB  3.900 . 6.000 3.685 3.541 4.050     .  0 0 "[    .    1]" 2 
        58 2  60 ILE CG1 2  61 GLY C   4.650 . 7.500 6.659 5.287 7.183     .  0 0 "[    .    1]" 2 
        59 2  85 VAL C   2  86 GLN CB  3.400 . 5.000 3.707 3.680 3.734     .  0 0 "[    .    1]" 2 
        60 2  28 THR C   2  31 TRP CB  4.650 . 7.500 4.150 3.585 5.157     .  0 0 "[    .    1]" 2 
        61 2  45 ILE CG1 2  48 ARG CB  4.900 . 8.000 5.682 4.313 6.770     .  0 0 "[    .    1]" 2 
        62 2  48 ARG CB  2  49 VAL C   3.900 . 6.000 3.423 2.808 3.816     .  0 0 "[    .    1]" 2 
        63 2  44 CYS C   2  45 ILE CG1 3.900 . 6.000 4.618 4.098 4.925     .  0 0 "[    .    1]" 2 
        64 2  70 ARG C   2  70 ARG CG  3.900 . 6.000 3.350 2.834 3.891     .  0 0 "[    .    1]" 2 
        65 2  44 CYS CB  2  45 ILE C   3.900 . 6.000 4.444 3.809 4.907     .  0 0 "[    .    1]" 2 
        66 2  62 ALA C   2  63 ILE CG1 4.650 . 7.500 3.132 2.773 3.451     .  0 0 "[    .    1]" 2 
        67 2  26 GLU CB  2  28 THR C   4.650 . 7.500 4.125 3.749 4.538     .  0 0 "[    .    1]" 2 
        68 2  26 GLU CB  2  28 THR C   4.650 . 7.500 7.068 6.902 7.178     .  0 0 "[    .    1]" 2 
        69 2 153 TYR CB  2 156 VAL C   4.650 . 7.500 6.883 6.435 7.421     .  0 0 "[    .    1]" 2 
        70 2 151 ILE C   2 153 TYR CB  4.650 . 7.500 4.979 4.729 5.278     .  0 0 "[    .    1]" 2 
        71 2  32 PHE CB  2  33 GLN C   3.900 . 6.000 3.280 3.263 3.295     .  0 0 "[    .    1]" 2 
        72 2  85 VAL C   2  86 GLN CG  4.900 . 8.000 4.390 3.942 4.621     .  0 0 "[    .    1]" 2 
        73 2 145 TRP CB  2 147 LEU CD1 4.650 . 7.500 5.912 4.898 6.669     .  0 0 "[    .    1]" 2 
        74 2  15 TRP C   2  18 MET CG  4.900 . 8.000 4.692 3.511 5.567     .  0 0 "[    .    1]" 2 
        75 2  21 THR CB  2  22 ALA C   4.900 . 8.000 5.411 5.330 5.514     .  0 0 "[    .    1]" 2 
        76 2  20 PHE C   2  21 THR CB  4.650 . 7.500 3.363 3.172 3.524     .  0 0 "[    .    1]" 2 
        77 2  62 ALA C   2  63 ILE CA  4.900 . 8.000 2.426 2.385 2.460     .  0 0 "[    .    1]" 2 
        78 2  61 GLY C   2  63 ILE CA  4.900 . 8.000 4.741 3.883 5.606     .  0 0 "[    .    1]" 2 
        79 2  60 ILE CA  2  62 ALA C   4.900 . 8.000 4.306 4.066 4.588     .  0 0 "[    .    1]" 2 
        80 2  56 GLY C   2  60 ILE CA  4.900 . 7.500 5.037 4.176 6.070     .  0 0 "[    .    1]" 2 
        81 2  75 VAL CG1 2  76 ILE CG1 4.650 . 7.500 5.311 4.271 6.331     .  0 0 "[    .    1]" 2 
        82 2  68 PRO CA  2  70 ARG C   3.900 . 6.000 2.440 2.422 2.458     .  0 0 "[    .    1]" 2 
        83 2  72 VAL C   2  74 MET CA  4.900 . 8.000 3.862 3.738 3.967     .  0 0 "[    .    1]" 2 
        84 2  74 MET CA  2  76 ILE C   4.650 . 7.500 5.426 5.292 5.591     .  0 0 "[    .    1]" 2 
        85 2  18 MET CA  2  20 PHE C   4.900 . 8.000 4.107 3.852 4.349     .  0 0 "[    .    1]" 2 
        86 2  14 ALA C   2  18 MET CA  4.650 . 7.500 2.404 2.390 2.428     .  0 0 "[    .    1]" 2 
        87 2  18 MET CA  2  20 PHE C   4.650 . 7.500 4.857 4.638 4.977     .  0 0 "[    .    1]" 2 
        88 2  18 MET CB  2  21 THR CG2 4.650 . 7.500 5.931 4.551 7.260     .  0 0 "[    .    1]" 2 
        89 2  21 THR C   2  26 GLU CA  4.900 . 8.000 6.191 5.655 6.587     .  0 0 "[    .    1]" 2 
        90 2 122 GLN CA  2 124 PHE C   4.650 . 7.500 6.068 5.370 7.228     .  0 0 "[    .    1]" 2 
        91 2  17 LEU CA  2  18 MET C   3.400 . 5.000 2.467 2.441 2.480     .  0 0 "[    .    1]" 2 
        92 2  68 PRO C   2  69 LEU CA  3.400 . 5.000 1.924 1.912 1.932     .  0 0 "[    .    1]" 2 
        93 2  15 TRP C   2  16 LEU CA  3.400 . 5.000 1.711 1.702 1.718 0.098  1 0 "[    .    1]" 2 
        94 2 108 VAL CG2 2 109 ARG CB  4.900 . 8.000 5.202 3.795 6.189     .  0 0 "[    .    1]" 2 
        95 2  43 LEU CA  2  45 ILE C   3.900 . 6.000 5.279 4.894 5.479     .  0 0 "[    .    1]" 2 
        96 2  43 LEU CA  2  44 CYS C   3.900 . 6.000 4.311 4.220 4.442     .  0 0 "[    .    1]" 2 
        97 2  27 LEU CA  2  28 THR C   3.900 . 6.000 3.235 3.166 3.275     .  0 0 "[    .    1]" 2 
        98 2  59 LEU CA  2  61 GLY C   3.900 . 6.000 5.573 5.134 5.919     .  0 0 "[    .    1]" 2 
        99 2  33 GLN C   2  34 HIS CA  4.650 . 7.500 2.155 2.144 2.172     .  0 0 "[    .    1]" 2 
       100 2  18 MET C   2  21 THR C   4.650 . 7.500 3.318 3.064 3.485     .  0 0 "[    .    1]" 2 
       101 2  60 ILE C   2  61 GLY C   3.900 . 6.000 3.532 3.182 3.731     .  0 0 "[    .    1]" 2 
       102 2  56 GLY C   2  57 ALA C   3.400 . 5.000 2.690 2.592 2.821     .  0 0 "[    .    1]" 2 
       103 2  53 GLY C   2  54 VAL C   3.400 . 5.000 2.937 2.826 3.010     .  0 0 "[    .    1]" 2 
       104 2  20 PHE C   2  22 ALA C   3.400 . 5.000 2.955 2.885 3.002     .  0 0 "[    .    1]" 2 
       105 2  44 CYS C   2  45 ILE C   3.400 . 5.000 2.305 2.282 2.327     .  0 0 "[    .    1]" 2 
       106 2  46 TYR C   2  47 GLU C   3.900 . 6.000 2.984 2.874 3.055     .  0 0 "[    .    1]" 2 
       107 2  61 GLY C   2  62 ALA C   3.900 . 6.000 2.841 2.601 3.206     .  0 0 "[    .    1]" 2 
       108 2 161 VAL CG2 2 162 ILE CG1 4.900 . 8.000 5.984 3.823 7.529     .  0 0 "[    .    1]" 2 
       109 2 124 PHE C   2 125 VAL C   3.900 . 6.000 3.319 2.866 3.731     .  0 0 "[    .    1]" 2 
       110 2  20 PHE C   2  21 THR C   3.400 . 5.000 3.002 2.944 3.067     .  0 0 "[    .    1]" 2 
       111 2  35 VAL C   2  36 MET C   3.400 . 5.000 2.385 2.303 2.445     .  0 0 "[    .    1]" 2 
       112 2  21 THR C   2  23 LEU CA  3.900 . 6.000 3.687 3.599 3.778     .  0 0 "[    .    1]" 2 
       113 2  18 MET CG  2  19 ALA CB  4.650 . 7.500 5.477 4.918 6.020     .  0 0 "[    .    1]" 2 
       114 2 102 ALA C   2 104 CYS CA  4.650 . 6.000 6.003 5.706 6.233 0.233 10 0 "[    .    1]" 2 
       115 2  33 GLN C   2  36 MET CA  3.900 . 6.000 2.415 2.388 2.435     .  0 0 "[    .    1]" 2 
       116 2  29 ALA C   2  30 LEU CD1 3.900 . 6.000 4.750 3.981 5.194     .  0 0 "[    .    1]" 2 
       117 2  54 VAL CG1 2  57 ALA CB  4.650 . 7.500 6.716 5.447 7.465     .  0 0 "[    .    1]" 2 
       118 2  19 ALA CB  2  23 LEU CD1 4.900 . 8.000 4.894 3.801 5.612     .  0 0 "[    .    1]" 2 
       119 2  81 ALA CB  2  82 PHE CB  4.650 . 7.500 4.397 3.905 4.980     .  0 0 "[    .    1]" 2 
       120 2  81 ALA CB  2  82 PHE CB  4.650 . 7.500 5.377 5.186 5.529     .  0 0 "[    .    1]" 2 
       121 2  31 TRP CB  2  32 PHE CB  4.650 . 7.500 4.598 3.818 5.050     .  0 0 "[    .    1]" 2 
       122 2  40 PRO CB  2  44 CYS CB  4.650 . 7.500 5.187 3.825 6.560     .  0 0 "[    .    1]" 2 
       123 2  54 VAL CG2 2  57 ALA CB  4.900 . 8.000 6.454 5.526 7.670     .  0 0 "[    .    1]" 2 
       124 2  32 PHE CB  2  33 GLN CB  4.900 . 8.000 5.576 5.185 6.034     .  0 0 "[    .    1]" 2 
       125 2  21 THR CG2 2  22 ALA CB  4.650 . 7.500 5.220 4.692 5.576     .  0 0 "[    .    1]" 2 
       126 2 149 ILE CD1 2 149 ILE CG2 3.400 . 5.000 2.735 2.597 2.961     .  0 0 "[    .    1]" 2 
       127 2  60 ILE CD1 2  60 ILE CG2 3.900 . 6.000 3.143 2.797 3.882     .  0 0 "[    .    1]" 2 
       128 2  56 GLY CA  2  58 ALA CA  4.650 . 7.500 5.211 5.088 5.418     .  0 0 "[    .    1]" 2 
       129 2  80 SER CA  2  82 PHE CA  3.900 . 6.000 5.656 5.402 6.016 0.016  8 0 "[    .    1]" 2 
       130 2  67 THR CA  2  68 PRO CA  4.650 . 7.500 3.946 3.927 3.985     .  0 0 "[    .    1]" 2 
       131 2  65 PRO CA  2  68 PRO CA  4.650 . 7.500 6.602 5.561 7.575 0.075  8 0 "[    .    1]" 2 
       132 2 104 CYS CA  2 105 ASP CA  3.900 . 6.000 3.841 3.808 3.878     .  0 0 "[    .    1]" 2 
       133 2  64 ALA CA  2  66 LYS CA  4.650 . 7.500 6.102 5.440 6.928     .  0 0 "[    .    1]" 2 
       134 2 100 PRO CD  2 102 ALA CA  4.900 . 7.500 7.464 6.715 7.971 0.471  7 0 "[    .    1]" 2 
       135 2  39 LYS CA  2  40 PRO CD  3.900 . 6.000 2.657 2.618 2.735     .  0 0 "[    .    1]" 2 
       136 2 148 GLY CA  2 149 ILE CB  4.900 . 8.000 4.885 4.816 4.933     .  0 0 "[    .    1]" 2 
       137 2  60 ILE CB  2  61 GLY CA  3.900 . 6.000 4.542 4.299 4.773     .  0 0 "[    .    1]" 2 
       138 2  56 GLY CA  2  60 ILE CB  4.650 . 7.500 4.389 3.901 4.911     .  0 0 "[    .    1]" 2 
       139 2  21 THR CA  2  23 LEU CB  4.650 . 7.500 4.273 4.222 4.335     .  0 0 "[    .    1]" 2 
       140 2  27 LEU CB  2  28 THR CA  3.400 . 5.000 3.565 3.533 3.602     .  0 0 "[    .    1]" 2 
       141 2  27 LEU CB  2  28 THR CA  4.900 . 8.000 3.885 3.854 3.962     .  0 0 "[    .    1]" 2 
       142 2 147 LEU CB  2 151 ILE CA  4.900 . 8.000 7.534 7.109 8.310 0.310  2 0 "[    .    1]" 2 
       143 2  68 PRO CA  2  69 LEU CB  4.650 . 7.500 4.882 4.849 4.957     .  0 0 "[    .    1]" 2 
       144 2  66 LYS CE  2  67 THR CA  4.900 . 8.000 6.432 5.052 7.288     .  0 0 "[    .    1]" 2 
       145 2  51 LEU CB  2  52 PHE CA  3.400 . 5.000 4.024 3.920 4.083     .  0 0 "[    .    1]" 2 
       146 2  20 PHE CA  2  23 LEU CB  3.400 . 5.000 3.980 3.775 4.099     .  0 0 "[    .    1]" 2 
       147 2  16 LEU CB  2  18 MET CA  4.900 . 8.000 4.391 4.298 4.488     .  0 0 "[    .    1]" 2 
       148 2  77 TRP CA  2  78 LEU CB  3.400 . 5.000 4.832 4.791 4.877     .  0 0 "[    .    1]" 2 
       149 2  69 LEU CB  2  70 ARG CA  3.900 . 6.000 4.679 4.573 4.827     .  0 0 "[    .    1]" 2 
       150 2  30 LEU CB  2  31 TRP CA  4.650 . 7.500 4.585 4.318 4.712     .  0 0 "[    .    1]" 2 
       151 2  23 LEU CB  2  26 GLU CA  4.650 . 7.500 3.650 3.526 3.810     .  0 0 "[    .    1]" 2 
       152 2  15 TRP CA  2  16 LEU CB  3.900 . 6.000 4.199 4.044 4.274     .  0 0 "[    .    1]" 2 
       153 2  23 LEU CB  2  26 GLU CA  4.650 . 7.500 3.602 3.485 3.761     .  0 0 "[    .    1]" 2 
       154 2 117 ASP CB  2 120 VAL CA  4.900 . 8.000 7.311 5.796 8.151 0.151  7 0 "[    .    1]" 2 
       155 2 149 ILE CB  2 152 ALA CA  4.900 . 8.000 5.290 4.546 5.829     .  0 0 "[    .    1]" 2 
       156 2  57 ALA CA  2  60 ILE CB  3.900 . 6.000 3.968 3.754 4.320     .  0 0 "[    .    1]" 2 
       157 2 151 ILE CB  2 152 ALA CA  3.900 . 6.000 4.569 4.437 4.675     .  0 0 "[    .    1]" 2 
       158 2  76 ILE CB  2  77 TRP CA  3.400 . 5.000 4.467 4.373 4.528     .  0 0 "[    .    1]" 2 
       159 2 149 ILE CB  2 150 PHE CA  3.900 . 6.000 4.562 4.433 4.684     .  0 0 "[    .    1]" 2 
       160 2 153 TYR CA  2 155 ILE CB  3.900 . 6.000 6.067 5.631 6.234 0.234  8 0 "[    .    1]" 2 
       161 2  22 ALA CA  2  25 LEU CB  4.650 . 7.500 4.186 3.890 4.351     .  0 0 "[    .    1]" 2 
       162 2  23 LEU CB  2  24 ALA CA  3.400 . 5.000 4.073 4.038 4.118     .  0 0 "[    .    1]" 2 
       163 2  23 LEU CB  2  24 ALA CA  3.400 . 5.000 3.527 3.448 3.593     .  0 0 "[    .    1]" 2 
       164 2  45 ILE CA  2  48 ARG CD  4.650 . 7.500 4.533 3.776 5.360     .  0 0 "[    .    1]" 2 
       165 2  84 GLY CA  2  87 LEU CB  4.650 . 7.500 4.663 3.920 6.189     .  0 0 "[    .    1]" 2 
       166 2 147 LEU CB  2 148 GLY CA  3.900 . 6.000 4.567 4.424 4.660     .  0 0 "[    .    1]" 2 
       167 2  83 ARG CD  2  84 GLY CA  4.650 . 7.500 5.877 4.606 6.631     .  0 0 "[    .    1]" 2 
       168 2 159 LEU CB  2 162 ILE CB  4.900 . 8.000 7.022 5.696 8.090 0.090  4 0 "[    .    1]" 2 
       169 2 147 LEU CB  2 149 ILE CB  4.650 . 7.500 7.557 7.219 7.787 0.287 10 0 "[    .    1]" 2 
       170 2 146 LEU CB  2 149 ILE CB  4.650 . 7.500 4.983 4.742 5.100     .  0 0 "[    .    1]" 2 
       171 2 146 LEU CB  2 149 ILE CB  4.650 . 7.500 5.750 5.053 6.152     .  0 0 "[    .    1]" 2 
       172 2 154 LEU CB  2 155 ILE CB  3.900 . 6.000 5.371 5.225 5.574     .  0 0 "[    .    1]" 2 
       173 2  59 LEU CB  2  60 ILE CB  4.650 . 6.000 5.142 4.975 5.308     .  0 0 "[    .    1]" 2 
       174 2  65 PRO CA  2  68 PRO CB  4.650 . 7.500 4.621 4.158 5.088     .  0 0 "[    .    1]" 2 
       175 2  85 VAL CB  2  88 THR CA  4.900 . 8.000 6.380 6.021 6.813     .  0 0 "[    .    1]" 2 
       176 2  74 MET CG  2  77 TRP CA  4.900 . 8.000 7.078 6.208 7.579     .  0 0 "[    .    1]" 2 
       177 2  71 TYR CA  2  74 MET CG  3.900 . 6.000 4.669 3.438 5.766     .  0 0 "[    .    1]" 2 
       178 2  45 ILE CB  2  48 ARG CA  4.900 . 8.000 6.087 5.628 6.395     .  0 0 "[    .    1]" 2 
       179 2  44 CYS CA  2  45 ILE CB  3.900 . 6.000 4.186 4.120 4.245     .  0 0 "[    .    1]" 2 
       180 2  70 ARG CA  2  74 MET CB  4.650 . 7.500 4.442 3.766 5.173     .  0 0 "[    .    1]" 2 
       181 2  68 PRO CB  2  70 ARG CA  3.900 . 6.000 5.123 4.843 5.327     .  0 0 "[    .    1]" 2 
       182 2 120 VAL CB  2 123 VAL CA  4.650 . 7.500 6.741 6.088 7.643 0.143  2 0 "[    .    1]" 2 
       183 2  67 THR CA  2  68 PRO CB  3.900 . 6.000 4.846 4.776 4.935     .  0 0 "[    .    1]" 2 
       184 2  48 ARG CA  2  49 VAL CB  3.900 . 6.000 4.871 4.817 4.924     .  0 0 "[    .    1]" 2 
       185 2  70 ARG CA  2  72 VAL CB  4.900 . 8.000 4.397 4.139 4.734     .  0 0 "[    .    1]" 2 
       186 2  70 ARG CA  2  72 VAL CB  4.650 . 7.500 4.661 4.421 4.816     .  0 0 "[    .    1]" 2 
       187 2  18 MET CB  2  20 PHE CA  4.650 . 7.500 4.593 4.534 4.663     .  0 0 "[    .    1]" 2 
       188 2  32 PHE CA  2  35 VAL CB  4.900 . 8.000 4.695 4.398 4.884     .  0 0 "[    .    1]" 2 
       189 2  73 ALA CA  2  74 MET CB  3.900 . 6.000 4.887 4.842 4.954     .  0 0 "[    .    1]" 2 
       190 2  98 PRO CA  2 100 PRO CD  4.900 . 8.000 5.893 4.190 6.765     .  0 0 "[    .    1]" 2 
       191 2  18 MET CB  2  19 ALA CA  3.400 . 5.000 3.773 3.714 3.839     .  0 0 "[    .    1]" 2 
       192 2  18 MET CB  2  19 ALA CA  3.400 . 5.000 3.865 3.807 3.915     .  0 0 "[    .    1]" 2 
       193 2  35 VAL CB  2  36 MET CA  3.400 . 5.000 3.761 3.667 3.870     .  0 0 "[    .    1]" 2 
       194 2 105 ASP CA  2 108 VAL CB  4.650 . 7.500 6.662 5.277 7.512 0.012  5 0 "[    .    1]" 2 
       195 2  53 GLY CA  2  54 VAL CB  3.400 . 5.000 4.880 4.831 4.982     .  0 0 "[    .    1]" 2 
       196 2 109 ARG CB  2 111 PRO CD  4.650 . 7.500 5.699 3.895 7.003     .  0 0 "[    .    1]" 2 
       197 2 148 GLY CA  2 149 ILE CG1 4.900 . 8.000 4.303 3.610 5.367     .  0 0 "[    .    1]" 2 
       198 2 115 PRO CB  2 121 PRO CD  4.900 . 8.000 8.111 7.793 8.353 0.353  5 0 "[    .    1]" 2 
       199 2  33 GLN CB  2  36 MET CA  4.900 . 8.000 5.892 5.059 6.435     .  0 0 "[    .    1]" 2 
       200 2  33 GLN CB  2  36 MET CA  4.900 . 8.000 4.451 4.058 4.823     .  0 0 "[    .    1]" 2 
       201 2  44 CYS CB  2  45 ILE CA  4.650 . 7.500 4.438 4.311 4.600     .  0 0 "[    .    1]" 2 
       202 2  62 ALA CA  2  63 ILE CG1 4.650 . 7.500 4.489 3.898 5.133     .  0 0 "[    .    1]" 2 
       203 2  22 ALA CA  2  26 GLU CB  3.900 . 6.000 4.841 3.972 5.250     .  0 0 "[    .    1]" 2 
       204 2  27 LEU CG  2  28 THR CA  3.400 . 5.000 4.959 4.686 5.242 0.242  6 0 "[    .    1]" 2 
       205 2 154 LEU CG  2 155 ILE CA  3.900 . 6.000 4.938 4.474 5.989     .  0 0 "[    .    1]" 2 
       206 2 153 TYR CA  2 154 LEU CG  4.650 . 7.500 6.100 5.222 6.283     .  0 0 "[    .    1]" 2 
       207 2  98 PRO CD  2  99 SER CA  3.900 . 6.000 2.480 2.459 2.505     .  0 0 "[    .    1]" 2 
       208 2  87 LEU CG  2  88 THR CA  4.650 . 7.500 5.660 4.377 6.138     .  0 0 "[    .    1]" 2 
       209 2 109 ARG CG  2 111 PRO CD  4.900 . 8.000 6.127 4.425 8.329 0.329  7 0 "[    .    1]" 2 
       210 2  17 LEU CB  2  18 MET CG  4.900 . 8.000 5.569 5.143 6.789     .  0 0 "[    .    1]" 2 
       211 2  68 PRO CB  2  69 LEU CB  4.650 . 7.500 4.959 4.819 5.205     .  0 0 "[    .    1]" 2 
       212 2 110 PHE CA  2 111 PRO CD  3.400 . 5.000 2.662 2.627 2.692     .  0 0 "[    .    1]" 2 
       213 2  48 ARG CD  2  49 VAL CB  4.900 . 7.500 7.127 5.677 7.671 0.171 10 0 "[    .    1]" 2 
       214 2  84 GLY CA  2  85 VAL CB  4.900 . 8.000 4.871 4.838 4.930     .  0 0 "[    .    1]" 2 
       215 2 120 VAL CA  2 121 PRO CD  4.650 . 5.000 3.032 2.984 3.117     .  0 0 "[    .    1]" 2 
       216 2 146 LEU CB  2 149 ILE CG1 4.650 . 7.500 6.498 4.546 7.499     .  0 0 "[    .    1]" 2 
       217 2  83 ARG CD  2  86 GLN CB  4.650 . 7.500 7.078 6.316 7.801 0.301  2 0 "[    .    1]" 2 
       218 2  84 GLY CA  2  86 GLN CB  4.900 . 8.000 6.159 5.661 6.485     .  0 0 "[    .    1]" 2 
       219 2 147 LEU CG  2 148 GLY CA  3.900 . 6.000 4.521 3.996 5.957     .  0 0 "[    .    1]" 2 
       220 2  83 ARG CG  2  84 GLY CA  3.900 . 6.000 5.011 4.243 5.900     .  0 0 "[    .    1]" 2 
       221 2  87 LEU CB  2  88 THR CG2 4.650 . 7.500 5.944 4.750 7.105     .  0 0 "[    .    1]" 2 
       222 2  53 GLY CA  2  54 VAL CA  3.900 . 6.000 3.745 3.717 3.793     .  0 0 "[    .    1]" 2 
       223 2  33 GLN CB  2  34 HIS CB  4.650 . 7.500 5.294 4.542 5.978     .  0 0 "[    .    1]" 2 
       224 2  85 VAL CB  2  86 GLN CB  3.900 . 6.000 5.261 5.036 5.515     .  0 0 "[    .    1]" 2 
       225 2  44 CYS CB  2  45 ILE CB  3.900 . 6.000 5.218 4.855 5.600     .  0 0 "[    .    1]" 2 
       226 2  44 CYS CB  2  45 ILE CB  4.650 . 7.500 4.726 4.119 5.211     .  0 0 "[    .    1]" 2 
       227 2  93 MET CB  2  94 LEU CG  4.650 . 7.500 5.437 5.097 5.652     .  0 0 "[    .    1]" 2 
       228 2  28 THR CA  2  29 ALA CA  4.900 . 8.000 3.159 3.149 3.169     .  0 0 "[    .    1]" 2 
       229 2  28 THR CB  2  29 ALA CA  3.400 . 5.000 4.437 4.370 4.514     .  0 0 "[    .    1]" 2 
       230 2  74 MET CG  2  75 VAL CB  4.650 . 7.500 5.103 4.424 6.130     .  0 0 "[    .    1]" 2 
       231 2  45 ILE CB  2  48 ARG CB  4.650 . 7.500 5.315 4.729 5.788     .  0 0 "[    .    1]" 2 
       232 2  57 ALA CA  2  61 GLY CA  4.900 . 7.500 5.749 5.186 6.721     .  0 0 "[    .    1]" 2 
       233 2  28 THR CA  2  29 ALA CA  3.400 . 5.000 3.271 3.254 3.285     .  0 0 "[    .    1]" 2 
       234 2 149 ILE CA  2 149 ILE CD1 3.400 . 5.000 3.572 3.000 3.924     .  0 0 "[    .    1]" 2 
       235 2  45 ILE CB  2  47 GLU C   4.650 . 7.500 6.740 6.310 7.067     .  0 0 "[    .    1]" 2 
       236 2  72 VAL CA  2  73 ALA CA  3.400 . 5.000 3.394 3.382 3.407     .  0 0 "[    .    1]" 2 
       237 2  34 HIS CB  2  36 MET C   4.650 . 7.500 6.781 6.091 7.569 0.069  4 0 "[    .    1]" 2 
       238 2  49 VAL CA  2  50 ALA CA  3.900 . 6.000 3.685 3.634 3.742     .  0 0 "[    .    1]" 2 
       239 2 104 CYS C   2 108 VAL CB  4.650 . 7.500 6.670 6.175 6.912     .  0 0 "[    .    1]" 2 
       240 2 155 ILE C   2 155 ILE CG1 3.400 . 5.000 2.998 2.764 3.344     .  0 0 "[    .    1]" 2 
       241 2  70 ARG C   2  72 VAL CB  3.900 . 6.000 3.862 3.688 4.101     .  0 0 "[    .    1]" 2 
       242 2 156 VAL CA  2 157 ALA CA  3.400 . 5.000 3.389 3.375 3.401     .  0 0 "[    .    1]" 2 
       243 2 149 ILE C   2 149 ILE CG1 3.400 . 5.000 2.847 2.628 3.212     .  0 0 "[    .    1]" 2 
       244 2  60 ILE C   2  60 ILE CG1 3.900 . 6.000 3.646 2.762 3.897     .  0 0 "[    .    1]" 2 
       245 2  45 ILE C   2  48 ARG CB  3.900 . 6.000 4.138 3.859 4.629     .  0 0 "[    .    1]" 2 
       246 2  21 THR CA  2  22 ALA CA  3.400 . 5.000 3.807 3.784 3.825     .  0 0 "[    .    1]" 2 
       247 2  45 ILE C   2  48 ARG CB  3.900 . 6.000 4.203 3.883 4.735     .  0 0 "[    .    1]" 2 
       248 2  59 LEU C   2  60 ILE CG1 3.900 . 6.000 4.261 3.835 4.596     .  0 0 "[    .    1]" 2 
       249 2  46 TYR CA  2  49 VAL CA  3.900 . 6.000 4.746 4.506 5.004     .  0 0 "[    .    1]" 2 
       250 2  60 ILE C   2  63 ILE CG1 4.650 . 7.500 7.144 5.305 8.022 0.522  9 1 "[    .   +1]" 2 
       251 2  70 ARG CA  2  72 VAL CA  3.900 . 6.000 3.407 3.380 3.419     .  0 0 "[    .    1]" 2 
       252 2  27 LEU CG  2  28 THR C   3.900 . 6.000 4.067 3.721 4.444     .  0 0 "[    .    1]" 2 
       253 2  26 GLU CB  2  28 THR C   4.900 . 8.000 5.578 5.439 5.836     .  0 0 "[    .    1]" 2 
       254 2 153 TYR CA  2 155 ILE CA  4.650 . 7.500 4.897 4.647 5.082     .  0 0 "[    .    1]" 2 
       255 2  69 LEU C   2  70 ARG CG  3.400 . 5.000 2.727 2.538 3.144     .  0 0 "[    .    1]" 2 
       256 2  27 LEU CG  2  28 THR C   3.900 . 6.000 5.845 5.633 6.196 0.196  6 0 "[    .    1]" 2 
       257 2  20 PHE CA  2  21 THR CA  4.650 . 7.500 3.718 3.654 3.755     .  0 0 "[    .    1]" 2 
       258 2 146 LEU C   2 146 LEU CG  3.400 . 5.000 3.190 2.807 3.824     .  0 0 "[    .    1]" 2 
       259 2 147 LEU C   2 148 GLY CA  3.900 . 6.000 2.431 2.412 2.446     .  0 0 "[    .    1]" 2 
       260 2 146 LEU C   2 148 GLY CA  4.650 . 7.500 4.337 4.076 4.632     .  0 0 "[    .    1]" 2 
       261 2  51 LEU C   2  53 GLY CA  3.400 . 5.000 2.154 2.149 2.162     .  0 0 "[    .    1]" 2 
       262 2  20 PHE CA  2  21 THR CA  4.650 . 6.000 3.795 3.779 3.812     .  0 0 "[    .    1]" 2 
       263 2  56 GLY CA  2  60 ILE C   4.900 . 8.000 7.231 6.181 8.297 0.297  7 0 "[    .    1]" 2 
       264 2  55 LEU C   2  56 GLY CA  3.400 . 5.000 2.424 2.411 2.439     .  0 0 "[    .    1]" 2 
       265 2  84 GLY CA  2  87 LEU C   4.650 . 7.500 5.781 5.214 7.073     .  0 0 "[    .    1]" 2 
       266 2  59 LEU C   2  61 GLY CA  4.900 . 7.500 4.415 3.975 4.852     .  0 0 "[    .    1]" 2 
       267 2  59 LEU C   2  61 GLY CA  4.900 . 8.000 4.258 3.864 4.555     .  0 0 "[    .    1]" 2 
       268 2  68 PRO C   2  70 ARG CD  4.650 . 7.500 4.082 3.044 4.662     .  0 0 "[    .    1]" 2 
       269 2  52 PHE CA  2  54 VAL CA  3.900 . 6.000 5.572 5.466 5.656     .  0 0 "[    .    1]" 2 
       270 2  45 ILE C   2  48 ARG CD  4.900 . 8.000 5.174 4.232 5.942     .  0 0 "[    .    1]" 2 
       271 2  70 ARG C   2  70 ARG CD  4.650 . 7.500 4.245 3.050 5.059     .  0 0 "[    .    1]" 2 
       272 2  25 LEU CB  2  26 GLU C   4.900 . 6.000 5.354 5.285 5.446     .  0 0 "[    .    1]" 2 
       273 2  68 PRO C   2  69 LEU CB  4.650 . 7.500 3.178 3.037 3.234     .  0 0 "[    .    1]" 2 
       274 2  92 THR CB  2  93 MET CA  3.900 . 6.000 4.454 4.379 4.538     .  0 0 "[    .    1]" 2 
       275 2  25 LEU CB  2  28 THR C   4.900 . 8.000 4.729 4.508 5.017     .  0 0 "[    .    1]" 2 
       276 2  17 LEU CB  2  18 MET C   3.900 . 6.000 5.429 5.300 5.543     .  0 0 "[    .    1]" 2 
       277 2  27 LEU CB  2  28 THR C   4.650 . 7.500 4.707 4.540 4.910     .  0 0 "[    .    1]" 2 
       278 2  52 PHE CA  2  54 VAL CA  3.900 . 6.000 3.752 3.735 3.776     .  0 0 "[    .    1]" 2 
       279 2  21 THR C   2  23 LEU CB  4.900 . 8.000 3.190 2.956 3.368     .  0 0 "[    .    1]" 2 
       280 2  75 VAL CA  2  79 TYR CA  4.900 . 8.000 4.367 4.322 4.460     .  0 0 "[    .    1]" 2 
       281 2 147 LEU C   2 151 ILE CB  4.650 . 7.500 5.063 4.375 5.715     .  0 0 "[    .    1]" 2 
       282 2  45 ILE CA  2  49 VAL CA  4.900 . 7.500 3.659 3.623 3.691     .  0 0 "[    .    1]" 2 
       283 2  59 LEU C   2  60 ILE CA  4.650 . 7.500 2.424 2.404 2.446     .  0 0 "[    .    1]" 2 
       284 2  33 GLN C   2  35 VAL CA  4.650 . 7.500 2.402 2.389 2.421     .  0 0 "[    .    1]" 2 
       285 2  33 GLN C   2  35 VAL CA  4.650 . 7.500 2.402 2.388 2.420     .  0 0 "[    .    1]" 2 
       286 2 147 LEU C   2 150 PHE CA  3.900 . 6.000 4.958 4.502 5.458     .  0 0 "[    .    1]" 2 
       287 2  78 LEU C   2  80 SER CA  3.400 . 5.000 2.409 2.390 2.429     .  0 0 "[    .    1]" 2 
       288 2  76 ILE C   2  80 SER CA  4.650 . 7.500 3.801 3.673 3.913     .  0 0 "[    .    1]" 2 
       289 2  45 ILE CA  2  47 GLU C   3.900 . 6.000 5.370 5.035 5.617     .  0 0 "[    .    1]" 2 
       290 2 122 GLN C   2 123 VAL CA  4.650 . 7.500 2.432 2.412 2.449     .  0 0 "[    .    1]" 2 
       291 2  83 ARG CA  2  85 VAL CA  3.900 . 6.000 5.422 4.994 5.655     .  0 0 "[    .    1]" 2 
       292 2  70 ARG C   2  74 MET CA  4.650 . 7.500 6.514 5.009 7.607 0.107  6 0 "[    .    1]" 2 
       293 2  18 MET CA  2  21 THR C   4.900 . 8.000 5.449 4.953 5.820     .  0 0 "[    .    1]" 2 
       294 2 155 ILE CA  2 156 VAL CA  3.900 . 6.000 3.772 3.728 3.799     .  0 0 "[    .    1]" 2 
       295 2  47 GLU C   2  48 ARG CA  3.400 . 5.000 2.412 2.397 2.438     .  0 0 "[    .    1]" 2 
       296 2  17 LEU C   2  18 MET CA  3.400 . 5.000 2.399 2.383 2.414     .  0 0 "[    .    1]" 2 
       297 2  44 CYS C   2  48 ARG CA  4.650 . 7.500 4.288 4.068 4.489     .  0 0 "[    .    1]" 2 
       298 2  23 LEU C   2  26 GLU CA  3.900 . 6.000 4.540 4.231 4.722     .  0 0 "[    .    1]" 2 
       299 2  15 TRP CA  2  18 MET C   4.650 . 7.500 5.501 5.188 6.090     .  0 0 "[    .    1]" 2 
       300 2  43 LEU C   2  44 CYS CA  3.400 . 5.000 1.913 1.900 1.925     .  0 0 "[    .    1]" 2 
       301 2  28 THR C   2  31 TRP CA  4.650 . 7.500 4.181 3.977 4.611     .  0 0 "[    .    1]" 2 
       302 2  90 GLU C   2  91 HIS CA  3.400 . 5.000 2.437 2.407 2.470     .  0 0 "[    .    1]" 2 
       303 2  91 HIS CA  2  92 THR C   4.650 . 7.500 4.498 4.341 4.607     .  0 0 "[    .    1]" 2 
       304 2  68 PRO CA  2  71 TYR CA  4.650 . 7.500 3.910 3.878 3.936     .  0 0 "[    .    1]" 2 
       305 2  69 LEU C   2  71 TYR CA  3.400 . 5.000 2.171 2.150 2.192     .  0 0 "[    .    1]" 2 
       306 2 112 GLU C   2 113 TRP CA  3.400 . 5.000 2.170 2.163 2.182     .  0 0 "[    .    1]" 2 
       307 2 103 THR C   2 104 CYS CA  3.900 . 6.000 2.450 2.433 2.470     .  0 0 "[    .    1]" 2 
       308 2  26 GLU C   2  29 ALA CA  3.900 . 6.000 4.576 4.392 4.788     .  0 0 "[    .    1]" 2 
       309 2  18 MET C   2  19 ALA CA  3.400 . 5.000 2.411 2.397 2.418     .  0 0 "[    .    1]" 2 
       310 2  17 LEU C   2  19 ALA CA  3.400 . 5.000 4.415 3.959 4.661     .  0 0 "[    .    1]" 2 
       311 2  26 GLU C   2  29 ALA CA  3.400 . 5.000 3.999 3.845 4.124     .  0 0 "[    .    1]" 2 
       312 2  23 LEU C   2  24 ALA CA  3.400 . 5.000 2.421 2.401 2.439     .  0 0 "[    .    1]" 2 
       313 2  24 ALA CA  2  26 GLU C   3.900 . 6.000 5.544 5.305 5.706     .  0 0 "[    .    1]" 2 
       314 2  71 TYR CA  2  74 MET CA  3.900 . 6.000 5.299 4.683 5.917     .  0 0 "[    .    1]" 2 
       315 2 154 LEU C   2 157 ALA CA  3.900 . 6.000 4.564 4.273 4.874     .  0 0 "[    .    1]" 2 
       316 2  21 THR C   2  22 ALA CA  3.400 . 5.000 2.395 2.357 2.423     .  0 0 "[    .    1]" 2 
       317 2  18 MET C   2  22 ALA CA  4.650 . 7.500 4.325 4.037 4.600     .  0 0 "[    .    1]" 2 
       318 2 102 ALA CA  2 103 THR C   4.900 . 8.000 4.900 4.719 5.011     .  0 0 "[    .    1]" 2 
       319 2  21 THR C   2  22 ALA CA  4.650 . 7.500 2.406 2.366 2.437     .  0 0 "[    .    1]" 2 
       320 2  66 LYS CA  2  68 PRO CA  4.650 . 7.500 3.840 3.816 3.875     .  0 0 "[    .    1]" 2 
       321 2  38 LEU C   2  39 LYS CA  3.900 . 6.000 2.459 2.415 2.537     .  0 0 "[    .    1]" 2 
       322 2 104 CYS C   2 105 ASP CA  4.650 . 7.500 2.429 2.397 2.453     .  0 0 "[    .    1]" 2 
       323 2  60 ILE C   2  62 ALA CA  4.650 . 7.500 5.466 4.926 5.900     .  0 0 "[    .    1]" 2 
       324 2  59 LEU C   2  62 ALA CA  4.650 . 6.000 5.836 4.872 6.695 0.695  5 1 "[    +    1]" 2 
       325 2  38 LEU C   2  39 LYS CA  3.900 . 6.000 2.462 2.418 2.540     .  0 0 "[    .    1]" 2 
       326 2  66 LYS CA  2  67 THR CA  4.650 . 7.500 3.737 3.662 3.823     .  0 0 "[    .    1]" 2 
       327 2  68 PRO C   2  68 PRO CD  3.900 . 6.000 3.075 2.786 3.291     .  0 0 "[    .    1]" 2 
       328 2  38 LEU C   2  40 PRO CD  3.900 . 6.000 3.637 3.090 4.184     .  0 0 "[    .    1]" 2 
       329 2  96 LEU C   2  98 PRO CD  3.900 . 5.000 3.743 3.054 4.915     .  0 0 "[    .    1]" 2 
       330 2  26 GLU C   2  28 THR CB  4.650 . 7.500 5.369 5.091 5.567     .  0 0 "[    .    1]" 2 
       331 2  75 VAL CA  2  76 ILE C   3.400 . 5.000 2.390 2.372 2.401     .  0 0 "[    .    1]" 2 
       332 2  66 LYS CA  2  68 PRO CA  4.650 . 7.500 3.737 3.707 3.760     .  0 0 "[    .    1]" 2 
       333 2  47 GLU C   2  49 VAL CA  4.650 . 7.500 4.496 4.358 4.602     .  0 0 "[    .    1]" 2 
       334 2  26 GLU C   2  28 THR CA  3.900 . 6.000 4.607 4.465 4.760     .  0 0 "[    .    1]" 2 
       335 2 147 LEU C   2 149 ILE CA  3.900 . 6.000 4.391 4.209 4.642     .  0 0 "[    .    1]" 2 
       336 2 110 PHE CA  2 111 PRO CA  4.650 . 7.500 3.234 3.222 3.243     .  0 0 "[    .    1]" 2 
       337 2  40 PRO CA  2  42 VAL CA  4.900 . 8.000 3.688 3.607 3.742     .  0 0 "[    .    1]" 2 
       338 2  65 PRO CD  2  68 PRO CD  4.900 . 8.000 5.491 4.357 6.656     .  0 0 "[    .    1]" 2 
       339 2  19 ALA CA  2  20 PHE CA  3.900 . 6.000 3.731 3.691 3.748     .  0 0 "[    .    1]" 2 
       340 2  39 LYS CA  2  40 PRO CD  4.900 . 8.000 2.642 2.606 2.695     .  0 0 "[    .    1]" 2 
       341 2  39 LYS CA  2  40 PRO CD  3.900 . 6.000 2.969 2.881 3.096     .  0 0 "[    .    1]" 2 
       342 2 154 LEU CB  2 157 ALA CA  4.650 . 7.500 6.555 6.194 7.098     .  0 0 "[    .    1]" 2 
       343 2  14 ALA CA  2  17 LEU CB  3.900 . 6.000 3.529 3.335 3.671     .  0 0 "[    .    1]" 2 
       344 2  69 LEU CB  2  71 TYR CA  4.650 . 7.500 4.344 3.792 4.877     .  0 0 "[    .    1]" 2 
       345 2  80 SER CA  2  81 ALA CA  3.400 . 5.000 3.793 3.771 3.823     .  0 0 "[    .    1]" 2 
       346 2  26 GLU CA  2  27 LEU CB  3.900 . 6.000 4.301 4.251 4.336     .  0 0 "[    .    1]" 2 
       347 2  15 TRP CA  2  16 LEU CB  4.650 . 7.500 3.919 3.835 3.963     .  0 0 "[    .    1]" 2 
       348 2  96 LEU CB  2  97 TYR CA  3.900 . 6.000 4.095 3.908 4.296     .  0 0 "[    .    1]" 2 
       349 2 117 ASP CB  2 118 LYS CA  3.900 . 6.000 4.523 4.273 4.722     .  0 0 "[    .    1]" 2 
       350 2  19 ALA CA  2  20 PHE CA  3.400 . 5.000 3.794 3.769 3.818     .  0 0 "[    .    1]" 2 
       351 2  54 VAL CA  2  57 ALA CA  4.650 . 7.500 4.405 4.251 4.629     .  0 0 "[    .    1]" 2 
       352 2  17 LEU CB  2  18 MET CA  3.900 . 6.000 4.446 4.339 4.563     .  0 0 "[    .    1]" 2 
       353 2  48 ARG CA  2  48 ARG CD  3.900 . 6.000 3.802 3.027 3.914     .  0 0 "[    .    1]" 2 
       354 2  18 MET CA  2  19 ALA CA  3.400 . 5.000 3.386 3.370 3.406     .  0 0 "[    .    1]" 2 
       355 2  18 MET CA  2  19 ALA CA  3.400 . 5.000 3.151 3.134 3.169     .  0 0 "[    .    1]" 2 
       356 2  81 ALA CA  2  82 PHE CA  3.900 . 6.000 3.819 3.795 3.872     .  0 0 "[    .    1]" 2 
       357 2  84 GLY CA  2  85 VAL CA  4.900 . 8.000 3.799 3.772 3.822     .  0 0 "[    .    1]" 2 
       358 2  63 ILE CA  2  65 PRO CD  4.900 . 8.000 4.570 3.637 6.757     .  0 0 "[    .    1]" 2 
       359 2  98 PRO CD  2  99 SER CA  4.900 . 8.000 2.632 2.602 2.652     .  0 0 "[    .    1]" 2 
       360 2  99 SER CA  2 100 PRO CD  4.650 . 7.500 2.672 2.651 2.724     .  0 0 "[    .    1]" 2 
       361 2  98 PRO CD  2  99 SER CA  4.650 . 7.500 2.944 2.898 2.972     .  0 0 "[    .    1]" 2 
       362 2  39 LYS CA  2  40 PRO CB  4.650 . 7.500 3.992 3.799 4.085     .  0 0 "[    .    1]" 2 
       363 2  35 VAL CA  2  36 MET CA  3.900 . 6.000 3.390 3.373 3.418     .  0 0 "[    .    1]" 2 
       364 2  50 ALA CA  2  53 GLY CA  4.900 . 8.000 4.760 4.605 4.891     .  0 0 "[    .    1]" 2 
       365 2  65 PRO CA  2  66 LYS CA  4.650 . 7.500 3.824 3.790 3.858     .  0 0 "[    .    1]" 2 
       366 2  48 ARG CA  2  50 ALA CA  3.400 . 5.000 3.752 3.711 3.773     .  0 0 "[    .    1]" 2 
       367 2  22 ALA CA  2  26 GLU CA  3.400 . 5.000 5.198 4.626 5.439 0.439  8 0 "[    .    1]" 2 
       368 2  67 THR CA  2  68 PRO CA  4.650 . 7.500 3.862 3.800 3.905     .  0 0 "[    .    1]" 2 
       369 2 143 PRO CA  2 145 TRP CA  4.650 . 7.500 5.624 4.968 6.683     .  0 0 "[    .    1]" 2 
       370 2  44 CYS CA  2  45 ILE CA  3.900 . 6.000 3.362 3.336 3.385     .  0 0 "[    .    1]" 2 
       371 2  34 HIS CA  2  35 VAL CA  3.900 . 6.000 3.806 3.784 3.848     .  0 0 "[    .    1]" 2 
       372 2  77 TRP CA  2  79 TYR CA  3.900 . 6.000 5.506 5.345 5.731     .  0 0 "[    .    1]" 2 
       373 2  31 TRP CA  2  32 PHE CA  3.900 . 6.000 3.007 2.987 3.022     .  0 0 "[    .    1]" 2 
       374 2  77 TRP CA  2  79 TYR CA  4.650 . 7.500 3.653 3.592 3.723     .  0 0 "[    .    1]" 2 
       375 2 121 PRO CA  2 123 VAL CA  4.900 . 8.000 5.825 5.033 6.675     .  0 0 "[    .    1]" 2 
    stop_

save_



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