NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type subtype subsubtype
377965 1ghu cing recoord 4-filtered-FRED Wattos check violation dihedral angle


data_1ghu


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              169
    _TA_constraint_stats_list.Viol_count                    859
    _TA_constraint_stats_list.Viol_total                    14198.20
    _TA_constraint_stats_list.Viol_max                      3.64
    _TA_constraint_stats_list.Viol_rms                      0.40
    _TA_constraint_stats_list.Viol_average_all_restraints   0.15
    _TA_constraint_stats_list.Viol_average_violations_only  0.69
    _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 . 1  4 PHE N  1  4 PHE CA 1  4 PHE CB 1  4 PHE CG  160.00 -160.00 -171.26  178.19 -162.86    .  . 0 "[    .    1    .    2    ]" 
         2 . 1  5 PHE N  1  5 PHE CA 1  5 PHE CB 1  5 PHE CG  -80.00  -40.00  -74.21  -74.93  -76.92 1.67 11 0 "[    .    1    .    2    ]" 
         3 . 1 10 ARG N  1 10 ARG CA 1 10 ARG CB 1 10 ARG CG  160.00 -160.00 -161.80 -173.57 -157.85 2.15  7 0 "[    .    1    .    2    ]" 
         4 . 1 26 PHE N  1 26 PHE CA 1 26 PHE CB 1 26 PHE CG   40.00   80.00   76.30   71.97   80.62 0.62 14 0 "[    .    1    .    2    ]" 
         5 . 1 38 PHE N  1 38 PHE CA 1 38 PHE CB 1 38 PHE CG  -80.00  -40.00  -72.19  -71.02  -71.68 1.45 16 0 "[    .    1    .    2    ]" 
         6 . 1 39 SER N  1 39 SER CA 1 39 SER CB 1 39 SER OG  -80.00  -40.00  -66.12  -65.07  -65.46    .  . 0 "[    .    1    .    2    ]" 
         7 . 1 40 LEU N  1 40 LEU CA 1 40 LEU CB 1 40 LEU CG  160.00 -160.00  176.63  176.04  175.82    .  . 0 "[    .    1    .    2    ]" 
         8 . 1 41 SER N  1 41 SER CA 1 41 SER CB 1 41 SER OG  -80.00  -40.00  -45.99  -54.56  -38.95 1.05 22 0 "[    .    1    .    2    ]" 
         9 . 1 51 PHE N  1 51 PHE CA 1 51 PHE CB 1 51 PHE CG  -80.00  -40.00  -58.80  -62.23  -63.28    .  . 0 "[    .    1    .    2    ]" 
        10 . 1 55 ARG N  1 55 ARG CA 1 55 ARG CB 1 55 ARG CG  -80.00  -40.00  -66.78  -62.02  -63.78 1.62  5 0 "[    .    1    .    2    ]" 
        11 . 1 56 ASP N  1 56 ASP CA 1 56 ASP CB 1 56 ASP CG   40.00   80.00   60.23   52.92   71.68    .  . 0 "[    .    1    .    2    ]" 
        12 . 1 80 SER N  1 80 SER CA 1 80 SER CB 1 80 SER OG  -80.00  -40.00  -62.52  -62.40  -62.46    .  . 0 "[    .    1    .    2    ]" 
        13 . 1 74 LEU N  1 74 LEU CA 1 74 LEU CB 1 74 LEU CG  160.00 -160.00 -174.38  173.84 -165.10    .  . 0 "[    .    1    .    2    ]" 
        14 . 1 87 GLN N  1 87 GLN CA 1 87 GLN CB 1 87 GLN CG  -80.00  -40.00  -67.89  -72.32  -62.15    .  . 0 "[    .    1    .    2    ]" 
        15 . 1 10 ARG N  1 10 ARG CA 1 10 ARG C  1 11 ALA N  -110.00  -10.00  -41.36  -45.59  -35.80    .  . 0 "[    .    1    .    2    ]" 
        16 . 1 11 ALA N  1 11 ALA CA 1 11 ALA C  1 12 LYS N  -110.00  -10.00  -43.54  -43.38  -44.18    .  . 0 "[    .    1    .    2    ]" 
        17 . 1 12 LYS N  1 12 LYS CA 1 12 LYS C  1 13 ALA N  -110.00  -10.00  -36.22  -37.63  -38.12    .  . 0 "[    .    1    .    2    ]" 
        18 . 1 13 ALA N  1 13 ALA CA 1 13 ALA C  1 14 GLU N  -110.00  -10.00  -44.39  -45.25  -45.32    .  . 0 "[    .    1    .    2    ]" 
        19 . 1 14 GLU N  1 14 GLU CA 1 14 GLU C  1 15 GLU N  -110.00  -10.00  -40.64  -38.83  -39.33    .  . 0 "[    .    1    .    2    ]" 
        20 . 1 15 GLU N  1 15 GLU CA 1 15 GLU C  1 16 MET N  -110.00  -10.00  -48.12  -50.76  -51.27    .  . 0 "[    .    1    .    2    ]" 
        21 . 1 16 MET N  1 16 MET CA 1 16 MET C  1 17 LEU N  -110.00  -10.00  -47.67  -62.63  -36.36    .  . 0 "[    .    1    .    2    ]" 
        22 . 1 17 LEU N  1 17 LEU CA 1 17 LEU C  1 18 SER N  -110.00  -10.00  -29.97  -33.46  -36.30 0.18 16 0 "[    .    1    .    2    ]" 
        23 . 1 18 SER N  1 18 SER CA 1 18 SER C  1 19 LYS N  -110.00  -10.00  -35.44  -44.02  -29.64    .  . 0 "[    .    1    .    2    ]" 
        24 . 1 19 LYS N  1 19 LYS CA 1 19 LYS C  1 20 GLN N  -110.00  -10.00  -34.66  -43.40  -21.82    .  . 0 "[    .    1    .    2    ]" 
        25 . 1 72 ASN N  1 72 ASN CA 1 72 ASN C  1 73 GLU N  -110.00  -10.00  -43.67  -38.08  -38.73    .  . 0 "[    .    1    .    2    ]" 
        26 . 1 73 GLU N  1 73 GLU CA 1 73 GLU C  1 74 LEU N  -110.00  -10.00  -43.26  -31.44  -38.32    .  . 0 "[    .    1    .    2    ]" 
        27 . 1 74 LEU N  1 74 LEU CA 1 74 LEU C  1 75 VAL N  -110.00  -10.00  -46.94  -44.14  -44.84    .  . 0 "[    .    1    .    2    ]" 
        28 . 1 75 VAL N  1 75 VAL CA 1 75 VAL C  1 76 ASP N  -110.00  -10.00  -55.18  -58.20  -59.32    .  . 0 "[    .    1    .    2    ]" 
        29 . 1 76 ASP N  1 76 ASP CA 1 76 ASP C  1 77 TYR N  -110.00  -10.00  -32.34  -23.49  -28.42    .  . 0 "[    .    1    .    2    ]" 
        30 . 1 77 TYR N  1 77 TYR CA 1 77 TYR C  1 78 HIS N  -110.00  -10.00  -56.17  -61.33  -61.68    .  . 0 "[    .    1    .    2    ]" 
        31 . 1 78 HIS N  1 78 HIS CA 1 78 HIS C  1 79 ARG N  -110.00  -10.00   -9.18   -9.70   -8.50 1.50 23 0 "[    .    1    .    2    ]" 
        32 . 1 79 ARG N  1 79 ARG CA 1 79 ARG C  1 80 SER N  -110.00  -10.00  -31.47  -40.29  -21.46    .  . 0 "[    .    1    .    2    ]" 
        33 . 1 80 SER N  1 80 SER CA 1 80 SER C  1 81 THR N  -110.00  -10.00  -36.27  -31.31  -31.87    .  . 0 "[    .    1    .    2    ]" 
        34 . 1  9 PRO C  1 10 ARG N  1 10 ARG CA 1 10 ARG C   -90.00  -10.00  -63.59  -73.33  -57.57    .  . 0 "[    .    1    .    2    ]" 
        35 . 1 10 ARG C  1 11 ALA N  1 11 ALA CA 1 11 ALA C   -90.00  -10.00  -65.29  -69.04  -62.56    .  . 0 "[    .    1    .    2    ]" 
        36 . 1 11 ALA C  1 12 LYS N  1 12 LYS CA 1 12 LYS C   -90.00  -10.00  -64.27  -68.27  -59.83    .  . 0 "[    .    1    .    2    ]" 
        37 . 1 14 GLU C  1 15 GLU N  1 15 GLU CA 1 15 GLU C   -90.00  -10.00  -60.72  -70.77  -53.01    .  . 0 "[    .    1    .    2    ]" 
        38 . 1 15 GLU C  1 16 MET N  1 16 MET CA 1 16 MET C   -90.00  -10.00  -62.90  -57.50  -58.89    .  . 0 "[    .    1    .    2    ]" 
        39 . 1 16 MET C  1 17 LEU N  1 17 LEU CA 1 17 LEU C   -90.00  -10.00  -71.78  -90.13  -64.89 0.13  5 0 "[    .    1    .    2    ]" 
        40 . 1 17 LEU C  1 18 SER N  1 18 SER CA 1 18 SER C   -90.00  -10.00  -59.02  -57.69  -58.76    .  . 0 "[    .    1    .    2    ]" 
        41 . 1 21 ARG C  1 22 HIS N  1 22 HIS CA 1 22 HIS C  -160.00  -90.00  -89.53  -89.84  -89.07 0.93  8 0 "[    .    1    .    2    ]" 
        42 . 1 22 HIS C  1 23 ASP N  1 23 ASP CA 1 23 ASP C   -90.00  -10.00  -77.42  -82.74  -69.05    .  . 0 "[    .    1    .    2    ]" 
        43 . 1 24 GLY C  1 25 ALA N  1 25 ALA CA 1 25 ALA C   -90.00  -10.00  -65.39  -62.76  -63.99    .  . 0 "[    .    1    .    2    ]" 
        44 . 1 25 ALA C  1 26 PHE N  1 26 PHE CA 1 26 PHE C  -160.00  -80.00 -127.26 -132.82 -135.70    .  . 0 "[    .    1    .    2    ]" 
        45 . 1 28 ILE C  1 29 ARG N  1 29 ARG CA 1 29 ARG C  -160.00  -80.00  -98.78 -103.14 -104.40    .  . 0 "[    .    1    .    2    ]" 
        46 . 1 29 ARG C  1 30 GLU N  1 30 GLU CA 1 30 GLU C  -160.00  -80.00  -86.72  -87.67  -88.85 0.62  4 0 "[    .    1    .    2    ]" 
        47 . 1 30 GLU C  1 31 SER N  1 31 SER CA 1 31 SER C   -90.00  -10.00  -67.78  -60.36  -62.84    .  . 0 "[    .    1    .    2    ]" 
        48 . 1 33 SER C  1 34 ALA N  1 34 ALA CA 1 34 ALA C  -160.00  -80.00 -116.98 -150.01  -93.15    .  . 0 "[    .    1    .    2    ]" 
        49 . 1 36 GLY C  1 37 ASP N  1 37 ASP CA 1 37 ASP C  -160.00  -80.00 -115.61  -98.12 -126.45 1.14  8 0 "[    .    1    .    2    ]" 
        50 . 1 38 PHE C  1 39 SER N  1 39 SER CA 1 39 SER C  -160.00  -80.00 -144.08 -145.58 -146.21    .  . 0 "[    .    1    .    2    ]" 
        51 . 1 39 SER C  1 40 LEU N  1 40 LEU CA 1 40 LEU C  -160.00  -80.00  -80.70  -88.54  -79.30 0.70 18 0 "[    .    1    .    2    ]" 
        52 . 1 40 LEU C  1 41 SER N  1 41 SER CA 1 41 SER C  -160.00  -80.00  -96.24 -109.51  -82.56    .  . 0 "[    .    1    .    2    ]" 
        53 . 1 41 SER C  1 42 VAL N  1 42 VAL CA 1 42 VAL C  -160.00  -80.00 -117.59 -122.21 -124.76    .  . 0 "[    .    1    .    2    ]" 
        54 . 1 43 LYS C  1 44 PHE N  1 44 PHE CA 1 44 PHE C  -160.00  -80.00 -130.45  -89.23 -105.49    .  . 0 "[    .    1    .    2    ]" 
        55 . 1 46 ASN C  1 47 ASP N  1 47 ASP CA 1 47 ASP C  -160.00  -80.00 -131.83 -160.86  -85.73 0.86 10 0 "[    .    1    .    2    ]" 
        56 . 1 48 VAL C  1 49 GLN N  1 49 GLN CA 1 49 GLN C  -160.00  -80.00 -102.56 -104.96 -106.43    .  . 0 "[    .    1    .    2    ]" 
        57 . 1 49 GLN C  1 50 HIS N  1 50 HIS CA 1 50 HIS C  -160.00  -80.00  -98.99 -107.44  -94.15    .  . 0 "[    .    1    .    2    ]" 
        58 . 1 50 HIS C  1 51 PHE N  1 51 PHE CA 1 51 PHE C  -160.00  -80.00 -104.87  -86.66  -91.33    .  . 0 "[    .    1    .    2    ]" 
        59 . 1 53 VAL C  1 54 LEU N  1 54 LEU CA 1 54 LEU C  -160.00  -80.00  -99.66 -122.86  -81.36    .  . 0 "[    .    1    .    2    ]" 
        60 . 1 54 LEU C  1 55 ARG N  1 55 ARG CA 1 55 ARG C  -160.00  -80.00 -104.06 -110.54 -113.00    .  . 0 "[    .    1    .    2    ]" 
        61 . 1 55 ARG C  1 56 ASP N  1 56 ASP CA 1 56 ASP C  -160.00  -80.00  -99.54  -86.57  -95.83 0.42  8 0 "[    .    1    .    2    ]" 
        62 . 1 60 LYS C  1 61 TYR N  1 61 TYR CA 1 61 TYR C  -160.00  -80.00  -92.40 -138.87 -143.99 0.57 22 0 "[    .    1    .    2    ]" 
        63 . 1 65 VAL C  1 66 VAL N  1 66 VAL CA 1 66 VAL C  -160.00  -80.00  -81.46 -118.93  -79.13 0.87  5 0 "[    .    1    .    2    ]" 
        64 . 1 66 VAL C  1 67 LYS N  1 67 LYS CA 1 67 LYS C  -160.00  -80.00  -83.26  -79.77  -79.87 0.48 19 0 "[    .    1    .    2    ]" 
        65 . 1 69 ASN C  1 70 SER N  1 70 SER CA 1 70 SER C  -160.00  -80.00 -110.12 -102.94 -106.57    .  . 0 "[    .    1    .    2    ]" 
        66 . 1 72 ASN C  1 73 GLU N  1 73 GLU CA 1 73 GLU C   -90.00  -10.00  -60.76  -70.35  -54.16    .  . 0 "[    .    1    .    2    ]" 
        67 . 1 73 GLU C  1 74 LEU N  1 74 LEU CA 1 74 LEU C   -90.00  -10.00  -57.50  -66.44  -51.70    .  . 0 "[    .    1    .    2    ]" 
        68 . 1 75 VAL C  1 76 ASP N  1 76 ASP CA 1 76 ASP C   -90.00  -10.00  -61.54  -61.88  -63.16    .  . 0 "[    .    1    .    2    ]" 
        69 . 1 76 ASP C  1 77 TYR N  1 77 TYR CA 1 77 TYR C   -90.00  -10.00  -61.39  -67.05  -55.60    .  . 0 "[    .    1    .    2    ]" 
        70 . 1 80 SER C  1 81 THR N  1 81 THR CA 1 81 THR C   -90.00  -10.00  -90.00  -90.46  -90.51 1.21  7 0 "[    .    1    .    2    ]" 
        71 . 1 83 VAL C  1 84 SER N  1 84 SER CA 1 84 SER C  -160.00  -80.00  -91.63  -88.56  -89.66 0.80 20 0 "[    .    1    .    2    ]" 
        72 . 1 86 ASN C  1 87 GLN N  1 87 GLN CA 1 87 GLN C  -160.00  -80.00  -85.90  -87.77  -91.05 0.43 15 0 "[    .    1    .    2    ]" 
        73 . 1 89 ILE C  1 90 PHE N  1 90 PHE CA 1 90 PHE C  -160.00  -80.00 -119.01 -146.63 -100.57    .  . 0 "[    .    1    .    2    ]" 
        74 . 1 90 PHE C  1 91 LEU N  1 91 LEU CA 1 91 LEU C   -90.00  -10.00  -80.06  -85.47  -87.59 0.39  1 0 "[    .    1    .    2    ]" 
        75 . 1 91 LEU C  1 92 ARG N  1 92 ARG CA 1 92 ARG C  -160.00  -80.00 -127.90 -160.04 -109.29 0.04 14 0 "[    .    1    .    2    ]" 
        76 . 1 93 ASP C  1 94 ILE N  1 94 ILE CA 1 94 ILE C   -90.00  -10.00  -69.54  -70.62  -72.62    .  . 0 "[    .    1    .    2    ]" 
        77 . 1  2 SER CA 1  2 SER C  1  3 TRP N  1  3 TRP CA  170.00 -170.00 -178.60  169.43 -169.36 0.64 11 0 "[    .    1    .    2    ]" 
        78 . 1  3 TRP CA 1  3 TRP C  1  4 PHE N  1  4 PHE CA  170.00 -170.00 -176.77  172.31 -169.25 0.75 11 0 "[    .    1    .    2    ]" 
        79 . 1  4 PHE CA 1  4 PHE C  1  5 PHE N  1  5 PHE CA  170.00 -170.00  175.57  174.17  173.68    .  . 0 "[    .    1    .    2    ]" 
        80 . 1  5 PHE CA 1  5 PHE C  1  6 GLY N  1  6 GLY CA  170.00 -170.00  179.95  169.43 -169.82 0.57 17 0 "[    .    1    .    2    ]" 
        81 . 1  6 GLY CA 1  6 GLY C  1  7 LYS N  1  7 LYS CA  170.00 -170.00  179.05  169.12 -171.83 0.88 13 0 "[    .    1    .    2    ]" 
        82 . 1  7 LYS CA 1  7 LYS C  1  8 ILE N  1  8 ILE CA  170.00 -170.00  178.28  169.36 -168.85 1.15 13 0 "[    .    1    .    2    ]" 
        83 . 1  8 ILE CA 1  8 ILE C  1  9 PRO N  1  9 PRO CA  170.00 -170.00  178.48  179.67  178.69    .  . 0 "[    .    1    .    2    ]" 
        84 . 1  9 PRO CA 1  9 PRO C  1 10 ARG N  1 10 ARG CA  170.00 -170.00  177.48  175.09  172.62 0.51 21 0 "[    .    1    .    2    ]" 
        85 . 1 10 ARG CA 1 10 ARG C  1 11 ALA N  1 11 ALA CA  170.00 -170.00  175.64  175.37  174.17 0.35 21 0 "[    .    1    .    2    ]" 
        86 . 1 11 ALA CA 1 11 ALA C  1 12 LYS N  1 12 LYS CA  170.00 -170.00  169.81  169.16  171.38 0.84 21 0 "[    .    1    .    2    ]" 
        87 . 1 12 LYS CA 1 12 LYS C  1 13 ALA N  1 13 ALA CA  170.00 -170.00  170.47  170.24  170.05 0.59 21 0 "[    .    1    .    2    ]" 
        88 . 1 13 ALA CA 1 13 ALA C  1 14 GLU N  1 14 GLU CA  170.00 -170.00  170.58  169.54  173.16 0.46 21 0 "[    .    1    .    2    ]" 
        89 . 1 14 GLU CA 1 14 GLU C  1 15 GLU N  1 15 GLU CA  170.00 -170.00  173.44  170.43  178.33    .  . 0 "[    .    1    .    2    ]" 
        90 . 1 15 GLU CA 1 15 GLU C  1 16 MET N  1 16 MET CA  170.00 -170.00  174.17  169.91  178.02 0.09 18 0 "[    .    1    .    2    ]" 
        91 . 1 16 MET CA 1 16 MET C  1 17 LEU N  1 17 LEU CA  170.00 -170.00  178.15  170.53 -168.67 1.33 18 0 "[    .    1    .    2    ]" 
        92 . 1 17 LEU CA 1 17 LEU C  1 18 SER N  1 18 SER CA  170.00 -170.00  171.16  168.51  178.89 1.49 19 0 "[    .    1    .    2    ]" 
        93 . 1 18 SER CA 1 18 SER C  1 19 LYS N  1 19 LYS CA  170.00 -170.00  169.84  168.70  174.22 1.30 19 0 "[    .    1    .    2    ]" 
        94 . 1 19 LYS CA 1 19 LYS C  1 20 GLN N  1 20 GLN CA  170.00 -170.00  177.91  169.85 -171.44 0.15 22 0 "[    .    1    .    2    ]" 
        95 . 1 20 GLN CA 1 20 GLN C  1 21 ARG N  1 21 ARG CA  170.00 -170.00  175.01  175.63  175.28    .  . 0 "[    .    1    .    2    ]" 
        96 . 1 21 ARG CA 1 21 ARG C  1 22 HIS N  1 22 HIS CA  170.00 -170.00 -168.85 -168.88 -168.98 1.78  2 0 "[    .    1    .    2    ]" 
        97 . 1 22 HIS CA 1 22 HIS C  1 23 ASP N  1 23 ASP CA  170.00 -170.00  172.38  169.62  179.28 0.38 13 0 "[    .    1    .    2    ]" 
        98 . 1 23 ASP CA 1 23 ASP C  1 24 GLY N  1 24 GLY CA  170.00 -170.00 -169.22 -172.45 -168.07 1.93 20 0 "[    .    1    .    2    ]" 
        99 . 1 24 GLY CA 1 24 GLY C  1 25 ALA N  1 25 ALA CA  170.00 -170.00 -173.03 -169.96 -170.11 0.46  2 0 "[    .    1    .    2    ]" 
       100 . 1 25 ALA CA 1 25 ALA C  1 26 PHE N  1 26 PHE CA  170.00 -170.00 -168.56 -168.81 -168.91 2.49  7 0 "[    .    1    .    2    ]" 
       101 . 1 26 PHE CA 1 26 PHE C  1 27 LEU N  1 27 LEU CA  170.00 -170.00  168.44  167.16  169.27 2.84  2 0 "[    .    1    .    2    ]" 
       102 . 1 27 LEU CA 1 27 LEU C  1 28 ILE N  1 28 ILE CA  170.00 -170.00  172.46  169.54  178.09 0.46  3 0 "[    .    1    .    2    ]" 
       103 . 1 28 ILE CA 1 28 ILE C  1 29 ARG N  1 29 ARG CA  170.00 -170.00  170.73  169.52  176.44 0.48  4 0 "[    .    1    .    2    ]" 
       104 . 1 29 ARG CA 1 29 ARG C  1 30 GLU N  1 30 GLU CA  170.00 -170.00  170.35  168.29 -177.36 1.71 11 0 "[    .    1    .    2    ]" 
       105 . 1 30 GLU CA 1 30 GLU C  1 31 SER N  1 31 SER CA  170.00 -170.00 -175.47 -174.48 -175.87 0.24  4 0 "[    .    1    .    2    ]" 
       106 . 1 31 SER CA 1 31 SER C  1 32 GLU N  1 32 GLU CA  170.00 -170.00 -175.46  169.94 -168.96 1.04 20 0 "[    .    1    .    2    ]" 
       107 . 1 32 GLU CA 1 32 GLU C  1 33 SER N  1 33 SER CA  170.00 -170.00  174.86 -169.92 -172.99 1.79 22 0 "[    .    1    .    2    ]" 
       108 . 1 33 SER CA 1 33 SER C  1 34 ALA N  1 34 ALA CA  170.00 -170.00  177.83  169.94 -174.16 0.06  8 0 "[    .    1    .    2    ]" 
       109 . 1 34 ALA CA 1 34 ALA C  1 35 PRO N  1 35 PRO CA  170.00 -170.00  176.54  169.91 -175.15 0.09  3 0 "[    .    1    .    2    ]" 
       110 . 1 35 PRO CA 1 35 PRO C  1 36 GLY N  1 36 GLY CA  170.00 -170.00 -179.89 -168.86 -169.37 1.99  5 0 "[    .    1    .    2    ]" 
       111 . 1 36 GLY CA 1 36 GLY C  1 37 ASP N  1 37 ASP CA  170.00 -170.00  175.51  169.20 -178.08 0.80  3 0 "[    .    1    .    2    ]" 
       112 . 1 37 ASP CA 1 37 ASP C  1 38 PHE N  1 38 PHE CA  170.00 -170.00 -179.55  169.57 -169.99 0.43 13 0 "[    .    1    .    2    ]" 
       113 . 1 38 PHE CA 1 38 PHE C  1 39 SER N  1 39 SER CA  170.00 -170.00  179.00 -178.06 -178.81    .  . 0 "[    .    1    .    2    ]" 
       114 . 1 39 SER CA 1 39 SER C  1 40 LEU N  1 40 LEU CA  170.00 -170.00  174.63  173.75  172.87 0.26  9 0 "[    .    1    .    2    ]" 
       115 . 1 40 LEU CA 1 40 LEU C  1 41 SER N  1 41 SER CA  170.00 -170.00  179.50  176.00  174.20 0.22  5 0 "[    .    1    .    2    ]" 
       116 . 1 41 SER CA 1 41 SER C  1 42 VAL N  1 42 VAL CA  170.00 -170.00 -171.70 -171.05 -171.41 0.52 24 0 "[    .    1    .    2    ]" 
       117 . 1 42 VAL CA 1 42 VAL C  1 43 LYS N  1 43 LYS CA  170.00 -170.00  173.74  169.15 -179.01 0.85 11 0 "[    .    1    .    2    ]" 
       118 . 1 43 LYS CA 1 43 LYS C  1 44 PHE N  1 44 PHE CA  170.00 -170.00  175.91  169.72 -174.48 0.28  3 0 "[    .    1    .    2    ]" 
       119 . 1 44 PHE CA 1 44 PHE C  1 45 GLY N  1 45 GLY CA  170.00 -170.00 -179.84  169.91 -169.88 0.12 20 0 "[    .    1    .    2    ]" 
       120 . 1 45 GLY CA 1 45 GLY C  1 46 ASN N  1 46 ASN CA  170.00 -170.00  174.66  168.18 -174.21 1.82  4 0 "[    .    1    .    2    ]" 
       121 . 1 46 ASN CA 1 46 ASN C  1 47 ASP N  1 47 ASP CA  170.00 -170.00 -176.43  175.59 -169.32 0.68 15 0 "[    .    1    .    2    ]" 
       122 . 1 47 ASP CA 1 47 ASP C  1 48 VAL N  1 48 VAL CA  170.00 -170.00  178.38  169.34 -169.58 0.66  9 0 "[    .    1    .    2    ]" 
       123 . 1 48 VAL CA 1 48 VAL C  1 49 GLN N  1 49 GLN CA  170.00 -170.00 -175.70  175.33 -169.88 0.12  1 0 "[    .    1    .    2    ]" 
       124 . 1 49 GLN CA 1 49 GLN C  1 50 HIS N  1 50 HIS CA  170.00 -170.00 -173.54 -176.28 -169.33 0.67  3 0 "[    .    1    .    2    ]" 
       125 . 1 50 HIS CA 1 50 HIS C  1 51 PHE N  1 51 PHE CA  170.00 -170.00 -178.65  172.32 -173.41    .  . 0 "[    .    1    .    2    ]" 
       126 . 1 51 PHE CA 1 51 PHE C  1 52 LYS N  1 52 LYS CA  170.00 -170.00 -173.89 -169.94 -170.16 0.48 19 0 "[    .    1    .    2    ]" 
       127 . 1 52 LYS CA 1 52 LYS C  1 53 VAL N  1 53 VAL CA  170.00 -170.00  177.01 -178.03 -179.51    .  . 0 "[    .    1    .    2    ]" 
       128 . 1 53 VAL CA 1 53 VAL C  1 54 LEU N  1 54 LEU CA  170.00 -170.00 -175.98 -176.90 -179.39 1.25 17 0 "[    .    1    .    2    ]" 
       129 . 1 54 LEU CA 1 54 LEU C  1 55 ARG N  1 55 ARG CA  170.00 -170.00 -176.65  176.13 -169.78 0.22 14 0 "[    .    1    .    2    ]" 
       130 . 1 55 ARG CA 1 55 ARG C  1 56 ASP N  1 56 ASP CA  170.00 -170.00  174.57  168.75 -175.56 1.25 12 0 "[    .    1    .    2    ]" 
       131 . 1 56 ASP CA 1 56 ASP C  1 57 GLY N  1 57 GLY CA  170.00 -170.00 -179.74  175.69  174.49 0.01  9 0 "[    .    1    .    2    ]" 
       132 . 1 57 GLY CA 1 57 GLY C  1 58 ALA N  1 58 ALA CA  170.00 -170.00  179.04  172.24 -169.94 0.06  1 0 "[    .    1    .    2    ]" 
       133 . 1 58 ALA CA 1 58 ALA C  1 59 GLY N  1 59 GLY CA  170.00 -170.00  172.69  169.31 -169.34 0.69 20 0 "[    .    1    .    2    ]" 
       134 . 1 59 GLY CA 1 59 GLY C  1 60 LYS N  1 60 LYS CA  170.00 -170.00  178.90 -171.11 -173.70 0.20 13 0 "[    .    1    .    2    ]" 
       135 . 1 60 LYS CA 1 60 LYS C  1 61 TYR N  1 61 TYR CA  170.00 -170.00 -169.85 -176.98 -167.82 2.18 13 0 "[    .    1    .    2    ]" 
       136 . 1 61 TYR CA 1 61 TYR C  1 62 PHE N  1 62 PHE CA  170.00 -170.00  179.57  174.23 -172.01    .  . 0 "[    .    1    .    2    ]" 
       137 . 1 62 PHE CA 1 62 PHE C  1 63 LEU N  1 63 LEU CA  170.00 -170.00  172.99  175.56  173.76 1.16  6 0 "[    .    1    .    2    ]" 
       138 . 1 63 LEU CA 1 63 LEU C  1 64 TRP N  1 64 TRP CA  170.00 -170.00 -175.09  173.39 -167.71 2.29  9 0 "[    .    1    .    2    ]" 
       139 . 1 64 TRP CA 1 64 TRP C  1 65 VAL N  1 65 VAL CA  170.00 -170.00  179.63 -179.45  177.53 0.39 11 0 "[    .    1    .    2    ]" 
       140 . 1 65 VAL CA 1 65 VAL C  1 66 VAL N  1 66 VAL CA  170.00 -170.00 -175.03 -176.12 -176.80 0.57 17 0 "[    .    1    .    2    ]" 
       141 . 1 66 VAL CA 1 66 VAL C  1 67 LYS N  1 67 LYS CA  170.00 -170.00 -178.49  169.81 -170.61 0.19 17 0 "[    .    1    .    2    ]" 
       142 . 1 67 LYS CA 1 67 LYS C  1 68 PHE N  1 68 PHE CA  170.00 -170.00 -172.68  176.71 -169.49 0.51 16 0 "[    .    1    .    2    ]" 
       143 . 1 68 PHE CA 1 68 PHE C  1 69 ASN N  1 69 ASN CA  170.00 -170.00 -178.35 -170.97 -172.99 0.61 10 0 "[    .    1    .    2    ]" 
       144 . 1 69 ASN CA 1 69 ASN C  1 70 SER N  1 70 SER CA  170.00 -170.00  178.52  178.08  176.56 3.50 17 0 "[    .    1    .    2    ]" 
       145 . 1 70 SER CA 1 70 SER C  1 71 LEU N  1 71 LEU CA  170.00 -170.00  169.57  169.61  169.26 2.41 17 0 "[    .    1    .    2    ]" 
       146 . 1 71 LEU CA 1 71 LEU C  1 72 ASN N  1 72 ASN CA  170.00 -170.00  174.29  168.51 -167.89 2.11 17 0 "[    .    1    .    2    ]" 
       147 . 1 72 ASN CA 1 72 ASN C  1 73 GLU N  1 73 GLU CA  170.00 -170.00  170.12  169.21  169.10 2.23 12 0 "[    .    1    .    2    ]" 
       148 . 1 73 GLU CA 1 73 GLU C  1 74 LEU N  1 74 LEU CA  170.00 -170.00  170.76  168.11  177.13 1.89 12 0 "[    .    1    .    2    ]" 
       149 . 1 74 LEU CA 1 74 LEU C  1 75 VAL N  1 75 VAL CA  170.00 -170.00  176.15  172.64  172.47 0.42 12 0 "[    .    1    .    2    ]" 
       150 . 1 75 VAL CA 1 75 VAL C  1 76 ASP N  1 76 ASP CA  170.00 -170.00 -179.40  168.73 -173.97 1.27 18 0 "[    .    1    .    2    ]" 
       151 . 1 76 ASP CA 1 76 ASP C  1 77 TYR N  1 77 TYR CA  170.00 -170.00  168.99  167.95  169.87 2.05 18 0 "[    .    1    .    2    ]" 
       152 . 1 77 TYR CA 1 77 TYR C  1 78 HIS N  1 78 HIS CA  170.00 -170.00  177.09  173.99  179.52    .  . 0 "[    .    1    .    2    ]" 
       153 . 1 78 HIS CA 1 78 HIS C  1 79 ARG N  1 79 ARG CA  170.00 -170.00  167.48  166.36  168.81 3.64 20 0 "[    .    1    .    2    ]" 
       154 . 1 79 ARG CA 1 79 ARG C  1 80 SER N  1 80 SER CA  170.00 -170.00  169.57  168.51  171.76 1.49 11 0 "[    .    1    .    2    ]" 
       155 . 1 80 SER CA 1 80 SER C  1 81 THR N  1 81 THR CA  170.00 -170.00  179.22  177.84  177.18    .  . 0 "[    .    1    .    2    ]" 
       156 . 1 81 THR CA 1 81 THR C  1 82 SER N  1 82 SER CA  170.00 -170.00  178.30  170.01 -175.59    .  . 0 "[    .    1    .    2    ]" 
       157 . 1 82 SER CA 1 82 SER C  1 83 VAL N  1 83 VAL CA  170.00 -170.00  170.78  171.26  170.88 1.52  4 0 "[    .    1    .    2    ]" 
       158 . 1 83 VAL CA 1 83 VAL C  1 84 SER N  1 84 SER CA  170.00 -170.00  177.83  169.86 -169.65 0.35 15 0 "[    .    1    .    2    ]" 
       159 . 1 84 SER CA 1 84 SER C  1 85 ARG N  1 85 ARG CA  170.00 -170.00 -179.64  169.60 -169.48 0.52  1 0 "[    .    1    .    2    ]" 
       160 . 1 85 ARG CA 1 85 ARG C  1 86 ASN N  1 86 ASN CA  170.00 -170.00  177.63  174.03  173.32 0.10 24 0 "[    .    1    .    2    ]" 
       161 . 1 86 ASN CA 1 86 ASN C  1 87 GLN N  1 87 GLN CA  170.00 -170.00  175.81  179.11  174.19 1.00  1 0 "[    .    1    .    2    ]" 
       162 . 1 87 GLN CA 1 87 GLN C  1 88 GLN N  1 88 GLN CA  170.00 -170.00  179.92  169.85 -168.92 1.08 18 0 "[    .    1    .    2    ]" 
       163 . 1 88 GLN CA 1 88 GLN C  1 89 ILE N  1 89 ILE CA  170.00 -170.00 -177.37 -174.80 -177.80 1.05  7 0 "[    .    1    .    2    ]" 
       164 . 1 89 ILE CA 1 89 ILE C  1 90 PHE N  1 90 PHE CA  170.00 -170.00 -176.03  173.68 -168.56 1.44  4 0 "[    .    1    .    2    ]" 
       165 . 1 90 PHE CA 1 90 PHE C  1 91 LEU N  1 91 LEU CA  170.00 -170.00 -170.00 -171.08 -175.08 1.32 15 0 "[    .    1    .    2    ]" 
       166 . 1 91 LEU CA 1 91 LEU C  1 92 ARG N  1 92 ARG CA  170.00 -170.00  178.11 -175.11 -179.08 0.45 14 0 "[    .    1    .    2    ]" 
       167 . 1 92 ARG CA 1 92 ARG C  1 93 ASP N  1 93 ASP CA  170.00 -170.00 -179.35  171.61 -170.05    .  . 0 "[    .    1    .    2    ]" 
       168 . 1 93 ASP CA 1 93 ASP C  1 94 ILE N  1 94 ILE CA  170.00 -170.00 -176.93  178.90 -169.86 0.14  4 0 "[    .    1    .    2    ]" 
       169 . 1 94 ILE CA 1 94 ILE C  1 95 GLU N  1 95 GLU CA  170.00 -170.00  179.02  175.80  174.47    .  . 0 "[    .    1    .    2    ]" 
    stop_

save_



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Contact the webmaster for help, if required. Tuesday, May 14, 2024 8:40:36 AM GMT (wattos1)