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
508907 2yrj 11239 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2yrj


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              8
    _TA_constraint_stats_list.Viol_count                    14
    _TA_constraint_stats_list.Viol_total                    45.37
    _TA_constraint_stats_list.Viol_max                      0.38
    _TA_constraint_stats_list.Viol_rms                      0.06
    _TA_constraint_stats_list.Viol_average_all_restraints   0.01
    _TA_constraint_stats_list.Viol_average_violations_only  0.16
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

Description of the tags in the per restraint table below:
*  1 * Restraint ID within restraint list.                             
*  2 * Torsion angle name where available.                             
*  3 *     First atom's:                                               
*  4 * Chain identifier (can be absent if none defined)                
*  5 * Residue number                                                  
*  6 * Residue name                                                    
*  7 * Name of (pseudo-)atom                                           
*  8 *  Second thru fourth atom's identifiers occupy columns 7 thru 18.
*  19 * Lower bound (degrees)                                               
*  20 * Upper bound (degrees)                                               
*  21 * Average angle in ensemble of models                                 
*  22 * Minimum angle in ensemble of models (counter clockwise from range)  
*  23 * Maximum angle in ensemble of models         (clockwise from range)  
*  24 * Maximum violation (without any averaging)                           
*  25 * Model number with the maximum violation                             
*  26 * Number of models with a violation above cutoff                      
*  27 * List of models with a violation above cutoff. See description above.
*  28 * Administrative tag                                                  
*  29 * Administrative tag                                                  

;


    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

       1 PHI 1 10 GLU C 1 11 LYS N  1 11 LYS CA 1 11 LYS C -118.50  -58.50 -112.20 -115.07 -115.79    .  . 0 "[    .    1    .    2]" 
       2 PSI 1 11 LYS N 1 11 LYS CA 1 11 LYS C  1 12 PRO N  109.10  169.10  110.10  108.72  114.38 0.38  3 0 "[    .    1    .    2]" 
       3 PHI 1 20 LYS C 1 21 ALA N  1 21 ALA CA 1 21 ALA C -161.60 -101.60 -149.54 -146.22 -148.28    .  . 0 "[    .    1    .    2]" 
       4 PSI 1 21 ALA N 1 21 ALA CA 1 21 ALA C  1 22 PHE N  125.50 -174.50  159.33  159.63  159.52    .  . 0 "[    .    1    .    2]" 
       5 PHI 1 21 ALA C 1 22 PHE N  1 22 PHE CA 1 22 PHE C -159.80  -99.80 -159.15 -159.33 -159.48 0.10 17 0 "[    .    1    .    2]" 
       6 PSI 1 22 PHE N 1 22 PHE CA 1 22 PHE C  1 23 ALA N  111.80  171.80  140.55  128.82  145.66    .  . 0 "[    .    1    .    2]" 
       7 PHI 1 38 GLU C 1 39 LYS N  1 39 LYS CA 1 39 LYS C -137.50  -77.50 -109.59 -130.13  -86.42    .  . 0 "[    .    1    .    2]" 
       8 PSI 1 39 LYS N 1 39 LYS CA 1 39 LYS C  1 40 PRO N  114.80  174.80  148.76  137.00  157.41    .  . 0 "[    .    1    .    2]" 
    stop_

save_


save_dihedral_constraint_statistics_2
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              165
    _TA_constraint_stats_list.Viol_count                    93
    _TA_constraint_stats_list.Viol_total                    1858.64
    _TA_constraint_stats_list.Viol_max                      3.47
    _TA_constraint_stats_list.Viol_rms                      0.24
    _TA_constraint_stats_list.Viol_average_all_restraints   0.03
    _TA_constraint_stats_list.Viol_average_violations_only  1.00
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       .

    loop_
       _TA_constraint_stats.Restraint_ID
       _TA_constraint_stats.Torsion_angle_name
       _TA_constraint_stats.Entity_assembly_ID_1
       _TA_constraint_stats.Comp_index_ID_1
       _TA_constraint_stats.Comp_ID_1
       _TA_constraint_stats.Atom_ID_1
       _TA_constraint_stats.Entity_assembly_ID_2
       _TA_constraint_stats.Comp_index_ID_2
       _TA_constraint_stats.Comp_ID_2
       _TA_constraint_stats.Atom_ID_2
       _TA_constraint_stats.Entity_assembly_ID_3
       _TA_constraint_stats.Comp_index_ID_3
       _TA_constraint_stats.Comp_ID_3
       _TA_constraint_stats.Atom_ID_3
       _TA_constraint_stats.Entity_assembly_ID_4
       _TA_constraint_stats.Comp_index_ID_4
       _TA_constraint_stats.Comp_ID_4
       _TA_constraint_stats.Atom_ID_4
       _TA_constraint_stats.Angle_lower_bound_val
       _TA_constraint_stats.Angle_upper_bound_val
       _TA_constraint_stats.Angle_average
       _TA_constraint_stats.Angle_minimum
       _TA_constraint_stats.Angle_maximum
       _TA_constraint_stats.Max_violation
       _TA_constraint_stats.Max_violation_model_number
       _TA_constraint_stats.Over_cutoff_violation_count
       _TA_constraint_stats.Over_cutoff_violation_per_model

         1 CHI1  1  2 SER N  1  2 SER CA 1  2 SER CB  1  2 SER OG  -90.00 -150.00 -112.62   50.39  -52.52    .  . 0 "[    .    1    .    2]" 
         2 CHI1  1  2 SER N  1  2 SER CA 1  2 SER CB  1  2 SER OG   30.00  -30.00 -112.62   50.39  -52.52    .  . 0 "[    .    1    .    2]" 
         3 CHI1  1  2 SER N  1  2 SER CA 1  2 SER CB  1  2 SER OG  150.00   90.00 -112.62   50.39  -52.52    .  . 0 "[    .    1    .    2]" 
         4 CHI1  1  3 SER N  1  3 SER CA 1  3 SER CB  1  3 SER OG  -90.00 -150.00 -144.83   54.34  -61.03    .  . 0 "[    .    1    .    2]" 
         5 CHI1  1  3 SER N  1  3 SER CA 1  3 SER CB  1  3 SER OG   30.00  -30.00 -144.83   54.34  -61.03    .  . 0 "[    .    1    .    2]" 
         6 CHI1  1  3 SER N  1  3 SER CA 1  3 SER CB  1  3 SER OG  150.00   90.00 -144.83   54.34  -61.03    .  . 0 "[    .    1    .    2]" 
         7 CHI1  1  5 SER N  1  5 SER CA 1  5 SER CB  1  5 SER OG  -90.00 -150.00   78.34  167.94   71.91    .  . 0 "[    .    1    .    2]" 
         8 CHI1  1  5 SER N  1  5 SER CA 1  5 SER CB  1  5 SER OG   30.00  -30.00   78.34  167.94   71.91    .  . 0 "[    .    1    .    2]" 
         9 CHI1  1  5 SER N  1  5 SER CA 1  5 SER CB  1  5 SER OG  150.00   90.00   78.34  167.94   71.91    .  . 0 "[    .    1    .    2]" 
        10 CHI1  1  6 SER N  1  6 SER CA 1  6 SER CB  1  6 SER OG  -90.00 -150.00 -173.51  175.12   75.15    .  . 0 "[    .    1    .    2]" 
        11 CHI1  1  6 SER N  1  6 SER CA 1  6 SER CB  1  6 SER OG   30.00  -30.00 -173.51  175.12   75.15    .  . 0 "[    .    1    .    2]" 
        12 CHI1  1  6 SER N  1  6 SER CA 1  6 SER CB  1  6 SER OG  150.00   90.00 -173.51  175.12   75.15    .  . 0 "[    .    1    .    2]" 
        13 CHI1  1  8 THR N  1  8 THR CA 1  8 THR CB  1  8 THR OG1 -90.00 -150.00   20.24  -56.78 -179.04    .  . 0 "[    .    1    .    2]" 
        14 CHI1  1  8 THR N  1  8 THR CA 1  8 THR CB  1  8 THR OG1  30.00  -30.00   20.24  -56.78 -179.04    .  . 0 "[    .    1    .    2]" 
        15 CHI1  1  8 THR N  1  8 THR CA 1  8 THR CB  1  8 THR OG1 150.00   90.00   20.24  -56.78 -179.04    .  . 0 "[    .    1    .    2]" 
        16 CHI1  1 10 GLU N  1 10 GLU CA 1 10 GLU CB  1 10 GLU CG  -90.00 -150.00  -78.40  -87.30  -60.57    .  . 0 "[    .    1    .    2]" 
        17 CHI1  1 10 GLU N  1 10 GLU CA 1 10 GLU CB  1 10 GLU CG   30.00  -30.00  -78.40  -87.30  -60.57    .  . 0 "[    .    1    .    2]" 
        18 CHI1  1 10 GLU N  1 10 GLU CA 1 10 GLU CB  1 10 GLU CG  150.00   90.00  -78.40  -87.30  -60.57    .  . 0 "[    .    1    .    2]" 
        19 CHI2  1 10 GLU CA 1 10 GLU CB 1 10 GLU CG  1 10 GLU CD  -90.00 -150.00  158.05  -83.42 -156.23    .  . 0 "[    .    1    .    2]" 
        20 CHI2  1 10 GLU CA 1 10 GLU CB 1 10 GLU CG  1 10 GLU CD   30.00  -30.00  158.05  -83.42 -156.23    .  . 0 "[    .    1    .    2]" 
        21 CHI2  1 10 GLU CA 1 10 GLU CB 1 10 GLU CG  1 10 GLU CD  150.00   90.00  158.05  -83.42 -156.23    .  . 0 "[    .    1    .    2]" 
        22 CHI1  1 11 LYS N  1 11 LYS CA 1 11 LYS CB  1 11 LYS CG  -90.00 -150.00  -52.43  -56.77  -48.68    .  . 0 "[    .    1    .    2]" 
        23 CHI1  1 11 LYS N  1 11 LYS CA 1 11 LYS CB  1 11 LYS CG   30.00  -30.00  -52.43  -56.77  -48.68    .  . 0 "[    .    1    .    2]" 
        24 CHI1  1 11 LYS N  1 11 LYS CA 1 11 LYS CB  1 11 LYS CG  150.00   90.00  -52.43  -56.77  -48.68    .  . 0 "[    .    1    .    2]" 
        25 CHI2  1 11 LYS CA 1 11 LYS CB 1 11 LYS CG  1 11 LYS CD  -90.00 -150.00  153.80  150.38  158.63    .  . 0 "[    .    1    .    2]" 
        26 CHI2  1 11 LYS CA 1 11 LYS CB 1 11 LYS CG  1 11 LYS CD   30.00  -30.00  153.80  150.38  158.63    .  . 0 "[    .    1    .    2]" 
        27 CHI2  1 11 LYS CA 1 11 LYS CB 1 11 LYS CG  1 11 LYS CD  150.00   90.00  153.80  150.38  158.63    .  . 0 "[    .    1    .    2]" 
        28 CHI3  1 11 LYS CB 1 11 LYS CG 1 11 LYS CD  1 11 LYS CE  -90.00 -150.00  166.39  153.44 -177.62    .  . 0 "[    .    1    .    2]" 
        29 CHI3  1 11 LYS CB 1 11 LYS CG 1 11 LYS CD  1 11 LYS CE   30.00  -30.00  166.39  153.44 -177.62    .  . 0 "[    .    1    .    2]" 
        30 CHI3  1 11 LYS CB 1 11 LYS CG 1 11 LYS CD  1 11 LYS CE  150.00   90.00  166.39  153.44 -177.62    .  . 0 "[    .    1    .    2]" 
        31 CHI4  1 11 LYS CG 1 11 LYS CD 1 11 LYS CE  1 11 LYS NZ  -90.00 -150.00  149.70   67.91  -90.62 0.62 12 0 "[    .    1    .    2]" 
        32 CHI4  1 11 LYS CG 1 11 LYS CD 1 11 LYS CE  1 11 LYS NZ   30.00  -30.00  149.70   67.91  -90.62    .  . 0 "[    .    1    .    2]" 
        33 CHI4  1 11 LYS CG 1 11 LYS CD 1 11 LYS CE  1 11 LYS NZ  150.00   90.00  149.70   67.91  -90.62    .  . 0 "[    .    1    .    2]" 
        34 CHI1  1 13 TYR N  1 13 TYR CA 1 13 TYR CB  1 13 TYR CG  -90.00 -150.00  -45.51  -45.50  -45.80    .  . 0 "[    .    1    .    2]" 
        35 CHI1  1 13 TYR N  1 13 TYR CA 1 13 TYR CB  1 13 TYR CG   30.00  -30.00  -45.51  -45.50  -45.80    .  . 0 "[    .    1    .    2]" 
        36 CHI1  1 13 TYR N  1 13 TYR CA 1 13 TYR CB  1 13 TYR CG  150.00   90.00  -45.51  -45.50  -45.80    .  . 0 "[    .    1    .    2]" 
        37 CHI1  1 14 ARG N  1 14 ARG CA 1 14 ARG CB  1 14 ARG CG  -90.00 -150.00 -149.50 -149.26 -149.31 1.48 10 0 "[    .    1    .    2]" 
        38 CHI1  1 14 ARG N  1 14 ARG CA 1 14 ARG CB  1 14 ARG CG   30.00  -30.00 -149.50 -149.26 -149.31    .  . 0 "[    .    1    .    2]" 
        39 CHI1  1 14 ARG N  1 14 ARG CA 1 14 ARG CB  1 14 ARG CG  150.00   90.00 -149.50 -149.26 -149.31    .  . 0 "[    .    1    .    2]" 
        40 CHI2  1 14 ARG CA 1 14 ARG CB 1 14 ARG CG  1 14 ARG CD  -90.00 -150.00  174.92  167.59  179.76    .  . 0 "[    .    1    .    2]" 
        41 CHI2  1 14 ARG CA 1 14 ARG CB 1 14 ARG CG  1 14 ARG CD   30.00  -30.00  174.92  167.59  179.76    .  . 0 "[    .    1    .    2]" 
        42 CHI2  1 14 ARG CA 1 14 ARG CB 1 14 ARG CG  1 14 ARG CD  150.00   90.00  174.92  167.59  179.76    .  . 0 "[    .    1    .    2]" 
        43 CHI3  1 14 ARG CB 1 14 ARG CG 1 14 ARG CD  1 14 ARG NE  -90.00 -150.00 -149.15 -179.72   79.12    .  . 0 "[    .    1    .    2]" 
        44 CHI3  1 14 ARG CB 1 14 ARG CG 1 14 ARG CD  1 14 ARG NE   30.00  -30.00 -149.15 -179.72   79.12    .  . 0 "[    .    1    .    2]" 
        45 CHI3  1 14 ARG CB 1 14 ARG CG 1 14 ARG CD  1 14 ARG NE  150.00   90.00 -149.15 -179.72   79.12    .  . 0 "[    .    1    .    2]" 
        46 CHI1  1 15 CYS N  1 15 CYS CA 1 15 CYS CB  1 15 CYS SG  -90.00 -150.00  165.48  164.23  167.53    .  . 0 "[    .    1    .    2]" 
        47 CHI1  1 15 CYS N  1 15 CYS CA 1 15 CYS CB  1 15 CYS SG   30.00  -30.00  165.48  164.23  167.53    .  . 0 "[    .    1    .    2]" 
        48 CHI1  1 15 CYS N  1 15 CYS CA 1 15 CYS CB  1 15 CYS SG  150.00   90.00  165.48  164.23  167.53    .  . 0 "[    .    1    .    2]" 
        49 CHI1  1 17 GLU N  1 17 GLU CA 1 17 GLU CB  1 17 GLU CG  -90.00 -150.00 -150.52 -161.46  -92.29 2.29 16 0 "[    .    1    .    2]" 
        50 CHI1  1 17 GLU N  1 17 GLU CA 1 17 GLU CB  1 17 GLU CG   30.00  -30.00 -150.52 -161.46  -92.29    .  . 0 "[    .    1    .    2]" 
        51 CHI1  1 17 GLU N  1 17 GLU CA 1 17 GLU CB  1 17 GLU CG  150.00   90.00 -150.52 -161.46  -92.29    .  . 0 "[    .    1    .    2]" 
        52 CHI2  1 17 GLU CA 1 17 GLU CB 1 17 GLU CG  1 17 GLU CD  -90.00 -150.00   50.31   45.85   45.43    .  . 0 "[    .    1    .    2]" 
        53 CHI2  1 17 GLU CA 1 17 GLU CB 1 17 GLU CG  1 17 GLU CD   30.00  -30.00   50.31   45.85   45.43 0.25 16 0 "[    .    1    .    2]" 
        54 CHI2  1 17 GLU CA 1 17 GLU CB 1 17 GLU CG  1 17 GLU CD  150.00   90.00   50.31   45.85   45.43    .  . 0 "[    .    1    .    2]" 
        55 CHI1  1 18 CYS N  1 18 CYS CA 1 18 CYS CB  1 18 CYS SG  -90.00 -150.00   61.04   60.44   60.28    .  . 0 "[    .    1    .    2]" 
        56 CHI1  1 18 CYS N  1 18 CYS CA 1 18 CYS CB  1 18 CYS SG   30.00  -30.00   61.04   60.44   60.28    .  . 0 "[    .    1    .    2]" 
        57 CHI1  1 18 CYS N  1 18 CYS CA 1 18 CYS CB  1 18 CYS SG  150.00   90.00   61.04   60.44   60.28    .  . 0 "[    .    1    .    2]" 
        58 CHI1  1 20 LYS N  1 20 LYS CA 1 20 LYS CB  1 20 LYS CG  -90.00 -150.00  -92.72  -93.47  -92.28 3.47 16 0 "[    .    1    .    2]" 
        59 CHI1  1 20 LYS N  1 20 LYS CA 1 20 LYS CB  1 20 LYS CG   30.00  -30.00  -92.72  -93.47  -92.28    .  . 0 "[    .    1    .    2]" 
        60 CHI1  1 20 LYS N  1 20 LYS CA 1 20 LYS CB  1 20 LYS CG  150.00   90.00  -92.72  -93.47  -92.28    .  . 0 "[    .    1    .    2]" 
        61 CHI2  1 20 LYS CA 1 20 LYS CB 1 20 LYS CG  1 20 LYS CD  -90.00 -150.00 -151.23 -150.18 -150.35 0.11 14 0 "[    .    1    .    2]" 
        62 CHI2  1 20 LYS CA 1 20 LYS CB 1 20 LYS CG  1 20 LYS CD   30.00  -30.00 -151.23 -150.18 -150.35    .  . 0 "[    .    1    .    2]" 
        63 CHI2  1 20 LYS CA 1 20 LYS CB 1 20 LYS CG  1 20 LYS CD  150.00   90.00 -151.23 -150.18 -150.35    .  . 0 "[    .    1    .    2]" 
        64 CHI3  1 20 LYS CB 1 20 LYS CG 1 20 LYS CD  1 20 LYS CE  -90.00 -150.00  141.33  167.26  165.83    .  . 0 "[    .    1    .    2]" 
        65 CHI3  1 20 LYS CB 1 20 LYS CG 1 20 LYS CD  1 20 LYS CE   30.00  -30.00  141.33  167.26  165.83    .  . 0 "[    .    1    .    2]" 
        66 CHI3  1 20 LYS CB 1 20 LYS CG 1 20 LYS CD  1 20 LYS CE  150.00   90.00  141.33  167.26  165.83 0.09 11 0 "[    .    1    .    2]" 
        67 CHI4  1 20 LYS CG 1 20 LYS CD 1 20 LYS CE  1 20 LYS NZ  -90.00 -150.00  158.62  -68.81 -167.60    .  . 0 "[    .    1    .    2]" 
        68 CHI4  1 20 LYS CG 1 20 LYS CD 1 20 LYS CE  1 20 LYS NZ   30.00  -30.00  158.62  -68.81 -167.60    .  . 0 "[    .    1    .    2]" 
        69 CHI4  1 20 LYS CG 1 20 LYS CD 1 20 LYS CE  1 20 LYS NZ  150.00   90.00  158.62  -68.81 -167.60    .  . 0 "[    .    1    .    2]" 
        70 CHI1  1 22 PHE N  1 22 PHE CA 1 22 PHE CB  1 22 PHE CG  -90.00 -150.00  -53.02  -52.82  -53.42    .  . 0 "[    .    1    .    2]" 
        71 CHI1  1 22 PHE N  1 22 PHE CA 1 22 PHE CB  1 22 PHE CG   30.00  -30.00  -53.02  -52.82  -53.42    .  . 0 "[    .    1    .    2]" 
        72 CHI1  1 22 PHE N  1 22 PHE CA 1 22 PHE CB  1 22 PHE CG  150.00   90.00  -53.02  -52.82  -53.42    .  . 0 "[    .    1    .    2]" 
        73 CHI1  1 24 GLN N  1 24 GLN CA 1 24 GLN CB  1 24 GLN CG  -90.00 -150.00  -80.99  -80.91  -83.46    .  . 0 "[    .    1    .    2]" 
        74 CHI1  1 24 GLN N  1 24 GLN CA 1 24 GLN CB  1 24 GLN CG   30.00  -30.00  -80.99  -80.91  -83.46    .  . 0 "[    .    1    .    2]" 
        75 CHI1  1 24 GLN N  1 24 GLN CA 1 24 GLN CB  1 24 GLN CG  150.00   90.00  -80.99  -80.91  -83.46    .  . 0 "[    .    1    .    2]" 
        76 CHI2  1 24 GLN CA 1 24 GLN CB 1 24 GLN CG  1 24 GLN CD  -90.00 -150.00  113.53   71.59  159.54    .  . 0 "[    .    1    .    2]" 
        77 CHI2  1 24 GLN CA 1 24 GLN CB 1 24 GLN CG  1 24 GLN CD   30.00  -30.00  113.53   71.59  159.54    .  . 0 "[    .    1    .    2]" 
        78 CHI2  1 24 GLN CA 1 24 GLN CB 1 24 GLN CG  1 24 GLN CD  150.00   90.00  113.53   71.59  159.54 0.02 12 0 "[    .    1    .    2]" 
        79 CHI1  1 25 LYS N  1 25 LYS CA 1 25 LYS CB  1 25 LYS CG  -90.00 -150.00  -89.76  -90.93  -87.61 0.93 16 0 "[    .    1    .    2]" 
        80 CHI1  1 25 LYS N  1 25 LYS CA 1 25 LYS CB  1 25 LYS CG   30.00  -30.00  -89.76  -90.93  -87.61    .  . 0 "[    .    1    .    2]" 
        81 CHI1  1 25 LYS N  1 25 LYS CA 1 25 LYS CB  1 25 LYS CG  150.00   90.00  -89.76  -90.93  -87.61    .  . 0 "[    .    1    .    2]" 
        82 CHI2  1 25 LYS CA 1 25 LYS CB 1 25 LYS CG  1 25 LYS CD  -90.00 -150.00  -68.28  -65.69  -66.61 2.32 16 0 "[    .    1    .    2]" 
        83 CHI2  1 25 LYS CA 1 25 LYS CB 1 25 LYS CG  1 25 LYS CD   30.00  -30.00  -68.28  -65.69  -66.61    .  . 0 "[    .    1    .    2]" 
        84 CHI2  1 25 LYS CA 1 25 LYS CB 1 25 LYS CG  1 25 LYS CD  150.00   90.00  -68.28  -65.69  -66.61    .  . 0 "[    .    1    .    2]" 
        85 CHI3  1 25 LYS CB 1 25 LYS CG 1 25 LYS CD  1 25 LYS CE  -90.00 -150.00  -50.45  -55.40  -56.25    .  . 0 "[    .    1    .    2]" 
        86 CHI3  1 25 LYS CB 1 25 LYS CG 1 25 LYS CD  1 25 LYS CE   30.00  -30.00  -50.45  -55.40  -56.25    .  . 0 "[    .    1    .    2]" 
        87 CHI3  1 25 LYS CB 1 25 LYS CG 1 25 LYS CD  1 25 LYS CE  150.00   90.00  -50.45  -55.40  -56.25    .  . 0 "[    .    1    .    2]" 
        88 CHI4  1 25 LYS CG 1 25 LYS CD 1 25 LYS CE  1 25 LYS NZ  -90.00 -150.00  -96.20  162.51  -50.31    .  . 0 "[    .    1    .    2]" 
        89 CHI4  1 25 LYS CG 1 25 LYS CD 1 25 LYS CE  1 25 LYS NZ   30.00  -30.00  -96.20  162.51  -50.31    .  . 0 "[    .    1    .    2]" 
        90 CHI4  1 25 LYS CG 1 25 LYS CD 1 25 LYS CE  1 25 LYS NZ  150.00   90.00  -96.20  162.51  -50.31    .  . 0 "[    .    1    .    2]" 
        91 CHI1  1 27 ASN N  1 27 ASN CA 1 27 ASN CB  1 27 ASN CG  -90.00 -150.00 -162.46 -169.27 -149.99 0.01 11 0 "[    .    1    .    2]" 
        92 CHI1  1 27 ASN N  1 27 ASN CA 1 27 ASN CB  1 27 ASN CG   30.00  -30.00 -162.46 -169.27 -149.99    .  . 0 "[    .    1    .    2]" 
        93 CHI1  1 27 ASN N  1 27 ASN CA 1 27 ASN CB  1 27 ASN CG  150.00   90.00 -162.46 -169.27 -149.99    .  . 0 "[    .    1    .    2]" 
        94 CHI1  1 28 LEU N  1 28 LEU CA 1 28 LEU CB  1 28 LEU CG  -90.00 -150.00  157.28  155.17  160.30    .  . 0 "[    .    1    .    2]" 
        95 CHI1  1 28 LEU N  1 28 LEU CA 1 28 LEU CB  1 28 LEU CG   30.00  -30.00  157.28  155.17  160.30    .  . 0 "[    .    1    .    2]" 
        96 CHI1  1 28 LEU N  1 28 LEU CA 1 28 LEU CB  1 28 LEU CG  150.00   90.00  157.28  155.17  160.30    .  . 0 "[    .    1    .    2]" 
        97 CHI2  1 28 LEU CA 1 28 LEU CB 1 28 LEU CG  1 28 LEU CD1 -90.00 -150.00   68.55   68.73   67.98    .  . 0 "[    .    1    .    2]" 
        98 CHI2  1 28 LEU CA 1 28 LEU CB 1 28 LEU CG  1 28 LEU CD1  30.00  -30.00   68.55   68.73   67.98    .  . 0 "[    .    1    .    2]" 
        99 CHI2  1 28 LEU CA 1 28 LEU CB 1 28 LEU CG  1 28 LEU CD1 150.00   90.00   68.55   68.73   67.98    .  . 0 "[    .    1    .    2]" 
       100 CHI1  1 29 THR N  1 29 THR CA 1 29 THR CB  1 29 THR OG1 -90.00 -150.00  -67.64  -73.86  -63.56    .  . 0 "[    .    1    .    2]" 
       101 CHI1  1 29 THR N  1 29 THR CA 1 29 THR CB  1 29 THR OG1  30.00  -30.00  -67.64  -73.86  -63.56    .  . 0 "[    .    1    .    2]" 
       102 CHI1  1 29 THR N  1 29 THR CA 1 29 THR CB  1 29 THR OG1 150.00   90.00  -67.64  -73.86  -63.56    .  . 0 "[    .    1    .    2]" 
       103 CHI1  1 30 GLN N  1 30 GLN CA 1 30 GLN CB  1 30 GLN CG  -90.00 -150.00   74.35   75.40   75.21    .  . 0 "[    .    1    .    2]" 
       104 CHI1  1 30 GLN N  1 30 GLN CA 1 30 GLN CB  1 30 GLN CG   30.00  -30.00   74.35   75.40   75.21    .  . 0 "[    .    1    .    2]" 
       105 CHI1  1 30 GLN N  1 30 GLN CA 1 30 GLN CB  1 30 GLN CG  150.00   90.00   74.35   75.40   75.21    .  . 0 "[    .    1    .    2]" 
       106 CHI2  1 30 GLN CA 1 30 GLN CB 1 30 GLN CG  1 30 GLN CD  -90.00 -150.00  159.72  150.16  172.48    .  . 0 "[    .    1    .    2]" 
       107 CHI2  1 30 GLN CA 1 30 GLN CB 1 30 GLN CG  1 30 GLN CD   30.00  -30.00  159.72  150.16  172.48    .  . 0 "[    .    1    .    2]" 
       108 CHI2  1 30 GLN CA 1 30 GLN CB 1 30 GLN CG  1 30 GLN CD  150.00   90.00  159.72  150.16  172.48    .  . 0 "[    .    1    .    2]" 
       109 CHI1  1 31 HIS N  1 31 HIS CA 1 31 HIS CB  1 31 HIS CG  -90.00 -150.00  149.46  148.64  150.33    .  . 0 "[    .    1    .    2]" 
       110 CHI1  1 31 HIS N  1 31 HIS CA 1 31 HIS CB  1 31 HIS CG   30.00  -30.00  149.46  148.64  150.33    .  . 0 "[    .    1    .    2]" 
       111 CHI1  1 31 HIS N  1 31 HIS CA 1 31 HIS CB  1 31 HIS CG  150.00   90.00  149.46  148.64  150.33 1.36 11 0 "[    .    1    .    2]" 
       112 CHI1  1 32 GLN N  1 32 GLN CA 1 32 GLN CB  1 32 GLN CG  -90.00 -150.00  -49.26  -52.17  -46.21    .  . 0 "[    .    1    .    2]" 
       113 CHI1  1 32 GLN N  1 32 GLN CA 1 32 GLN CB  1 32 GLN CG   30.00  -30.00  -49.26  -52.17  -46.21    .  . 0 "[    .    1    .    2]" 
       114 CHI1  1 32 GLN N  1 32 GLN CA 1 32 GLN CB  1 32 GLN CG  150.00   90.00  -49.26  -52.17  -46.21    .  . 0 "[    .    1    .    2]" 
       115 CHI2  1 32 GLN CA 1 32 GLN CB 1 32 GLN CG  1 32 GLN CD  -90.00 -150.00 -157.07 -161.67 -164.19    .  . 0 "[    .    1    .    2]" 
       116 CHI2  1 32 GLN CA 1 32 GLN CB 1 32 GLN CG  1 32 GLN CD   30.00  -30.00 -157.07 -161.67 -164.19    .  . 0 "[    .    1    .    2]" 
       117 CHI2  1 32 GLN CA 1 32 GLN CB 1 32 GLN CG  1 32 GLN CD  150.00   90.00 -157.07 -161.67 -164.19    .  . 0 "[    .    1    .    2]" 
       118 CHI1  1 33 ARG N  1 33 ARG CA 1 33 ARG CB  1 33 ARG CG  -90.00 -150.00  -50.43  -42.44  -45.77    .  . 0 "[    .    1    .    2]" 
       119 CHI1  1 33 ARG N  1 33 ARG CA 1 33 ARG CB  1 33 ARG CG   30.00  -30.00  -50.43  -42.44  -45.77    .  . 0 "[    .    1    .    2]" 
       120 CHI1  1 33 ARG N  1 33 ARG CA 1 33 ARG CB  1 33 ARG CG  150.00   90.00  -50.43  -42.44  -45.77    .  . 0 "[    .    1    .    2]" 
       121 CHI2  1 33 ARG CA 1 33 ARG CB 1 33 ARG CG  1 33 ARG CD  -90.00 -150.00 -120.27 -160.91  -64.75 1.03 15 0 "[    .    1    .    2]" 
       122 CHI2  1 33 ARG CA 1 33 ARG CB 1 33 ARG CG  1 33 ARG CD   30.00  -30.00 -120.27 -160.91  -64.75    .  . 0 "[    .    1    .    2]" 
       123 CHI2  1 33 ARG CA 1 33 ARG CB 1 33 ARG CG  1 33 ARG CD  150.00   90.00 -120.27 -160.91  -64.75    .  . 0 "[    .    1    .    2]" 
       124 CHI3  1 33 ARG CB 1 33 ARG CG 1 33 ARG CD  1 33 ARG NE  -90.00 -150.00 -101.01  -89.71  -90.06 0.22 18 0 "[    .    1    .    2]" 
       125 CHI3  1 33 ARG CB 1 33 ARG CG 1 33 ARG CD  1 33 ARG NE   30.00  -30.00 -101.01  -89.71  -90.06    .  . 0 "[    .    1    .    2]" 
       126 CHI3  1 33 ARG CB 1 33 ARG CG 1 33 ARG CD  1 33 ARG NE  150.00   90.00 -101.01  -89.71  -90.06 0.78 15 0 "[    .    1    .    2]" 
       127 CHI1  1 34 ILE N  1 34 ILE CA 1 34 ILE CB  1 34 ILE CG1 -90.00 -150.00   79.19   78.60   78.27    .  . 0 "[    .    1    .    2]" 
       128 CHI1  1 34 ILE N  1 34 ILE CA 1 34 ILE CB  1 34 ILE CG1  30.00  -30.00   79.19   78.60   78.27    .  . 0 "[    .    1    .    2]" 
       129 CHI1  1 34 ILE N  1 34 ILE CA 1 34 ILE CB  1 34 ILE CG1 150.00   90.00   79.19   78.60   78.27    .  . 0 "[    .    1    .    2]" 
       130 CHI21 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 1 34 ILE CD1 -90.00 -150.00  177.23  174.80 -179.64    .  . 0 "[    .    1    .    2]" 
       131 CHI21 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 1 34 ILE CD1  30.00  -30.00  177.23  174.80 -179.64    .  . 0 "[    .    1    .    2]" 
       132 CHI21 1 34 ILE CA 1 34 ILE CB 1 34 ILE CG1 1 34 ILE CD1 150.00   90.00  177.23  174.80 -179.64    .  . 0 "[    .    1    .    2]" 
       133 CHI1  1 35 HIS N  1 35 HIS CA 1 35 HIS CB  1 35 HIS CG  -90.00 -150.00  -53.77  -57.49  -49.85    .  . 0 "[    .    1    .    2]" 
       134 CHI1  1 35 HIS N  1 35 HIS CA 1 35 HIS CB  1 35 HIS CG   30.00  -30.00  -53.77  -57.49  -49.85    .  . 0 "[    .    1    .    2]" 
       135 CHI1  1 35 HIS N  1 35 HIS CA 1 35 HIS CB  1 35 HIS CG  150.00   90.00  -53.77  -57.49  -49.85    .  . 0 "[    .    1    .    2]" 
       136 CHI1  1 36 THR N  1 36 THR CA 1 36 THR CB  1 36 THR OG1 -90.00 -150.00   67.59   64.80   63.14    .  . 0 "[    .    1    .    2]" 
       137 CHI1  1 36 THR N  1 36 THR CA 1 36 THR CB  1 36 THR OG1  30.00  -30.00   67.59   64.80   63.14    .  . 0 "[    .    1    .    2]" 
       138 CHI1  1 36 THR N  1 36 THR CA 1 36 THR CB  1 36 THR OG1 150.00   90.00   67.59   64.80   63.14    .  . 0 "[    .    1    .    2]" 
       139 CHI1  1 38 GLU N  1 38 GLU CA 1 38 GLU CB  1 38 GLU CG  -90.00 -150.00 -124.97   58.70  -64.27    .  . 0 "[    .    1    .    2]" 
       140 CHI1  1 38 GLU N  1 38 GLU CA 1 38 GLU CB  1 38 GLU CG   30.00  -30.00 -124.97   58.70  -64.27    .  . 0 "[    .    1    .    2]" 
       141 CHI1  1 38 GLU N  1 38 GLU CA 1 38 GLU CB  1 38 GLU CG  150.00   90.00 -124.97   58.70  -64.27    .  . 0 "[    .    1    .    2]" 
       142 CHI2  1 38 GLU CA 1 38 GLU CB 1 38 GLU CG  1 38 GLU CD  -90.00 -150.00 -136.08   60.44  -57.06 0.29 16 0 "[    .    1    .    2]" 
       143 CHI2  1 38 GLU CA 1 38 GLU CB 1 38 GLU CG  1 38 GLU CD   30.00  -30.00 -136.08   60.44  -57.06    .  . 0 "[    .    1    .    2]" 
       144 CHI2  1 38 GLU CA 1 38 GLU CB 1 38 GLU CG  1 38 GLU CD  150.00   90.00 -136.08   60.44  -57.06    .  . 0 "[    .    1    .    2]" 
       145 CHI1  1 39 LYS N  1 39 LYS CA 1 39 LYS CB  1 39 LYS CG  -90.00 -150.00   43.13   55.04  -65.40    .  . 0 "[    .    1    .    2]" 
       146 CHI1  1 39 LYS N  1 39 LYS CA 1 39 LYS CB  1 39 LYS CG   30.00  -30.00   43.13   55.04  -65.40    .  . 0 "[    .    1    .    2]" 
       147 CHI1  1 39 LYS N  1 39 LYS CA 1 39 LYS CB  1 39 LYS CG  150.00   90.00   43.13   55.04  -65.40    .  . 0 "[    .    1    .    2]" 
       148 CHI2  1 39 LYS CA 1 39 LYS CB 1 39 LYS CG  1 39 LYS CD  -90.00 -150.00  147.11  163.42   90.01    .  . 0 "[    .    1    .    2]" 
       149 CHI2  1 39 LYS CA 1 39 LYS CB 1 39 LYS CG  1 39 LYS CD   30.00  -30.00  147.11  163.42   90.01    .  . 0 "[    .    1    .    2]" 
       150 CHI2  1 39 LYS CA 1 39 LYS CB 1 39 LYS CG  1 39 LYS CD  150.00   90.00  147.11  163.42   90.01 0.01 12 0 "[    .    1    .    2]" 
       151 CHI3  1 39 LYS CB 1 39 LYS CG 1 39 LYS CD  1 39 LYS CE  -90.00 -150.00  176.40  150.22   89.46    .  . 0 "[    .    1    .    2]" 
       152 CHI3  1 39 LYS CB 1 39 LYS CG 1 39 LYS CD  1 39 LYS CE   30.00  -30.00  176.40  150.22   89.46    .  . 0 "[    .    1    .    2]" 
       153 CHI3  1 39 LYS CB 1 39 LYS CG 1 39 LYS CD  1 39 LYS CE  150.00   90.00  176.40  150.22   89.46    .  . 0 "[    .    1    .    2]" 
       154 CHI4  1 39 LYS CG 1 39 LYS CD 1 39 LYS CE  1 39 LYS NZ  -90.00 -150.00 -146.04   64.84  -68.96    .  . 0 "[    .    1    .    2]" 
       155 CHI4  1 39 LYS CG 1 39 LYS CD 1 39 LYS CE  1 39 LYS NZ   30.00  -30.00 -146.04   64.84  -68.96    .  . 0 "[    .    1    .    2]" 
       156 CHI4  1 39 LYS CG 1 39 LYS CD 1 39 LYS CE  1 39 LYS NZ  150.00   90.00 -146.04   64.84  -68.96    .  . 0 "[    .    1    .    2]" 
       157 CHI1  1 41 SER N  1 41 SER CA 1 41 SER CB  1 41 SER OG  -90.00 -150.00  147.45   50.85  -67.38    .  . 0 "[    .    1    .    2]" 
       158 CHI1  1 41 SER N  1 41 SER CA 1 41 SER CB  1 41 SER OG   30.00  -30.00  147.45   50.85  -67.38    .  . 0 "[    .    1    .    2]" 
       159 CHI1  1 41 SER N  1 41 SER CA 1 41 SER CB  1 41 SER OG  150.00   90.00  147.45   50.85  -67.38    .  . 0 "[    .    1    .    2]" 
       160 CHI1  1 44 SER N  1 44 SER CA 1 44 SER CB  1 44 SER OG  -90.00 -150.00 -101.89   62.87  -51.68    .  . 0 "[    .    1    .    2]" 
       161 CHI1  1 44 SER N  1 44 SER CA 1 44 SER CB  1 44 SER OG   30.00  -30.00 -101.89   62.87  -51.68    .  . 0 "[    .    1    .    2]" 
       162 CHI1  1 44 SER N  1 44 SER CA 1 44 SER CB  1 44 SER OG  150.00   90.00 -101.89   62.87  -51.68    .  . 0 "[    .    1    .    2]" 
       163 CHI1  1 45 SER N  1 45 SER CA 1 45 SER CB  1 45 SER OG  -90.00 -150.00   21.09   55.25   55.01    .  . 0 "[    .    1    .    2]" 
       164 CHI1  1 45 SER N  1 45 SER CA 1 45 SER CB  1 45 SER OG   30.00  -30.00   21.09   55.25   55.01    .  . 0 "[    .    1    .    2]" 
       165 CHI1  1 45 SER N  1 45 SER CA 1 45 SER CB  1 45 SER OG  150.00   90.00   21.09   55.25   55.01    .  . 0 "[    .    1    .    2]" 
    stop_

save_



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Contact the webmaster for help, if required. Tuesday, June 11, 2024 5:24:13 AM GMT (wattos1)