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
531726 2l9j 17451 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2l9j


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              151
    _TA_constraint_stats_list.Viol_count                    633
    _TA_constraint_stats_list.Viol_total                    8547.34
    _TA_constraint_stats_list.Viol_max                      4.13
    _TA_constraint_stats_list.Viol_rms                      0.44
    _TA_constraint_stats_list.Viol_average_all_restraints   0.14
    _TA_constraint_stats_list.Viol_average_violations_only  0.68
    _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  19 GLY C 1  20 VAL N  1  20 VAL CA 1  20 VAL C  -76.80 -38.80 -49.97 -54.78 -46.47    .  . 0 "[    .    1    .    2]" 
         2 . 1  20 VAL N 1  20 VAL CA 1  20 VAL C  1  21 VAL N  -65.60 -33.00 -51.06 -50.90 -51.31    .  . 0 "[    .    1    .    2]" 
         3 . 1  20 VAL C 1  21 VAL N  1  21 VAL CA 1  21 VAL C  -74.70 -50.50 -73.69 -75.44 -61.99 0.74 20 0 "[    .    1    .    2]" 
         4 . 1  21 VAL N 1  21 VAL CA 1  21 VAL C  1  22 GLY N  -59.20 -28.00 -32.37 -30.81 -31.63 0.71  6 0 "[    .    1    .    2]" 
         5 . 1  21 VAL C 1  22 GLY N  1  22 GLY CA 1  22 GLY C  -71.90 -51.50 -61.14 -66.98 -50.62 0.88 13 0 "[    .    1    .    2]" 
         6 . 1  22 GLY N 1  22 GLY CA 1  22 GLY C  1  23 VAL N  -52.80 -30.60 -32.37 -33.85 -34.90 0.35  9 0 "[    .    1    .    2]" 
         7 . 1  22 GLY C 1  23 VAL N  1  23 VAL CA 1  23 VAL C  -74.50 -59.70 -71.31 -75.02 -65.71 0.52  5 0 "[    .    1    .    2]" 
         8 . 1  23 VAL N 1  23 VAL CA 1  23 VAL C  1  24 LEU N  -57.30 -25.60 -45.31 -49.15 -39.88    .  . 0 "[    .    1    .    2]" 
         9 . 1  23 VAL C 1  24 LEU N  1  24 LEU CA 1  24 LEU C  -69.10 -51.80 -64.05 -60.99 -61.01 0.60  5 0 "[    .    1    .    2]" 
        10 . 1  24 LEU N 1  24 LEU CA 1  24 LEU C  1  25 GLU N  -53.30 -32.10 -46.63 -45.15 -45.81 0.00  6 0 "[    .    1    .    2]" 
        11 . 1  24 LEU C 1  25 GLU N  1  25 GLU CA 1  25 GLU C  -75.50 -53.80 -55.67 -66.27 -51.44 2.36  6 0 "[    .    1    .    2]" 
        12 . 1  25 GLU N 1  25 GLU CA 1  25 GLU C  1  26 SER N  -54.00 -28.20 -32.81 -33.40 -36.58 0.40  6 0 "[    .    1    .    2]" 
        13 . 1  25 GLU C 1  26 SER N  1  26 SER CA 1  26 SER C  -77.20 -54.70 -74.19 -77.71 -62.24 0.51  2 0 "[    .    1    .    2]" 
        14 . 1  26 SER N 1  26 SER CA 1  26 SER C  1  27 TYR N  -51.30 -28.40 -37.64 -38.70 -39.80    .  . 0 "[    .    1    .    2]" 
        15 . 1  26 SER C 1  27 TYR N  1  27 TYR CA 1  27 TYR C  -86.50 -49.20 -62.76 -62.12 -62.54    .  . 0 "[    .    1    .    2]" 
        16 . 1  27 TYR N 1  27 TYR CA 1  27 TYR C  1  28 ILE N  -61.30 -32.00 -58.29 -57.17 -59.34 0.43 15 0 "[    .    1    .    2]" 
        17 . 1  27 TYR C 1  28 ILE N  1  28 ILE CA 1  28 ILE C  -73.00 -58.80 -60.28 -58.94 -60.81 1.20  2 0 "[    .    1    .    2]" 
        18 . 1  35 THR C 1  36 LYS N  1  36 LYS CA 1  36 LYS C  -70.30 -48.50 -48.44 -48.48 -50.37 1.16 20 0 "[    .    1    .    2]" 
        19 . 1  36 LYS N 1  36 LYS CA 1  36 LYS C  1  37 GLN N  -53.20 -22.00 -39.26 -46.46 -32.27    .  . 0 "[    .    1    .    2]" 
        20 . 1  36 LYS C 1  37 GLN N  1  37 GLN CA 1  37 GLN C  -69.20 -52.70 -62.94 -61.78 -62.67    .  . 0 "[    .    1    .    2]" 
        21 . 1  37 GLN N 1  37 GLN CA 1  37 GLN C  1  38 SER N  -46.50 -33.60 -44.98 -46.54 -42.91 0.04 18 0 "[    .    1    .    2]" 
        22 . 1  37 GLN C 1  38 SER N  1  38 SER CA 1  38 SER C  -72.80 -50.80 -64.77 -68.31 -68.40    .  . 0 "[    .    1    .    2]" 
        23 . 1  38 SER N 1  38 SER CA 1  38 SER C  1  39 ALA N  -55.50 -25.10 -27.99 -26.18 -27.00 0.38  8 0 "[    .    1    .    2]" 
        24 . 1  38 SER C 1  39 ALA N  1  39 ALA CA 1  39 ALA C  -75.10 -57.00 -75.62 -75.91 -75.95 1.37  8 0 "[    .    1    .    2]" 
        25 . 1  39 ALA N 1  39 ALA CA 1  39 ALA C  1  40 CYS N  -47.50 -37.40 -43.20 -44.29 -44.56    .  . 0 "[    .    1    .    2]" 
        26 . 1  39 ALA C 1  40 CYS N  1  40 CYS CA 1  40 CYS C  -72.00 -56.70 -64.27 -67.49 -60.25    .  . 0 "[    .    1    .    2]" 
        27 . 1  40 CYS N 1  40 CYS CA 1  40 CYS C  1  41 VAL N  -51.40 -34.50 -51.76 -51.95 -52.06 0.70 14 0 "[    .    1    .    2]" 
        28 . 1  40 CYS C 1  41 VAL N  1  41 VAL CA 1  41 VAL C  -76.90 -54.20 -55.51 -54.13 -54.31 0.48 15 0 "[    .    1    .    2]" 
        29 . 1  41 VAL N 1  41 VAL CA 1  41 VAL C  1  42 ALA N  -58.70 -22.80 -45.97 -49.13 -42.28    .  . 0 "[    .    1    .    2]" 
        30 . 1  41 VAL C 1  42 ALA N  1  42 ALA CA 1  42 ALA C  -67.90 -52.80 -56.54 -58.50 -59.55 0.45  4 0 "[    .    1    .    2]" 
        31 . 1  42 ALA N 1  42 ALA CA 1  42 ALA C  1  43 MET N  -51.50 -34.70 -49.56 -50.32 -50.74 0.82 17 0 "[    .    1    .    2]" 
        32 . 1  42 ALA C 1  43 MET N  1  43 MET CA 1  43 MET C  -71.70 -53.20 -54.72 -63.92 -51.96 1.24 14 0 "[    .    1    .    2]" 
        33 . 1  43 MET N 1  43 MET CA 1  43 MET C  1  44 SER N  -55.70 -34.10 -35.36 -42.68 -32.78 1.32 14 0 "[    .    1    .    2]" 
        34 . 1  43 MET C 1  44 SER N  1  44 SER CA 1  44 SER C  -76.60 -52.10 -57.09 -59.55 -59.82 0.95  4 0 "[    .    1    .    2]" 
        35 . 1  44 SER N 1  44 SER CA 1  44 SER C  1  45 LYS N  -57.70 -17.90 -42.69 -47.73 -35.12    .  . 0 "[    .    1    .    2]" 
        36 . 1  44 SER C 1  45 LYS N  1  45 LYS CA 1  45 LYS C  -73.40 -56.50 -74.44 -73.61 -73.89 2.74 16 0 "[    .    1    .    2]" 
        37 . 1  45 LYS N 1  45 LYS CA 1  45 LYS C  1  46 LEU N  -53.80 -22.00 -22.64 -27.13 -21.02 0.98 10 0 "[    .    1    .    2]" 
        38 . 1  45 LYS C 1  46 LEU N  1  46 LEU CA 1  46 LEU C  -78.80 -52.80 -69.06 -68.20 -68.98    .  . 0 "[    .    1    .    2]" 
        39 . 1  46 LEU N 1  46 LEU CA 1  46 LEU C  1  47 LEU N  -57.80 -29.60 -46.99 -49.53 -40.43    .  . 0 "[    .    1    .    2]" 
        40 . 1  46 LEU C 1  47 LEU N  1  47 LEU CA 1  47 LEU C  -73.80 -51.40 -56.60 -64.07 -51.29 0.11 12 0 "[    .    1    .    2]" 
        41 . 1  47 LEU N 1  47 LEU CA 1  47 LEU C  1  48 THR N  -54.10 -16.20 -35.76 -46.84 -15.99 0.21 16 0 "[    .    1    .    2]" 
        42 . 1  47 LEU C 1  48 THR N  1  48 THR CA 1  48 THR C -112.80 -42.10 -48.58 -73.99 -41.77 0.33  6 0 "[    .    1    .    2]" 
        43 . 1  48 THR N 1  48 THR CA 1  48 THR C  1  49 GLU N  -61.30  -7.10 -32.16 -50.76 -19.92    .  . 0 "[    .    1    .    2]" 
        44 . 1  48 THR C 1  49 GLU N  1  49 GLU CA 1  49 GLU C -100.60 -57.90 -81.32 -68.07 -79.67 0.01  2 0 "[    .    1    .    2]" 
        45 . 1  51 ASN C 1  52 SER N  1  52 SER CA 1  52 SER C  -69.20 -48.90 -57.01 -60.94 -50.85    .  . 0 "[    .    1    .    2]" 
        46 . 1  52 SER N 1  52 SER CA 1  52 SER C  1  53 ASP N  -49.30 -19.50 -47.77 -50.15 -39.52 0.85  2 0 "[    .    1    .    2]" 
        47 . 1  52 SER C 1  53 ASP N  1  53 ASP CA 1  53 ASP C  -73.60 -53.00 -56.11 -54.46 -55.01 0.46  3 0 "[    .    1    .    2]" 
        48 . 1  53 ASP N 1  53 ASP CA 1  53 ASP C  1  54 ASP N  -55.90 -31.70 -31.54 -34.48 -30.14 1.56 18 0 "[    .    1    .    2]" 
        49 . 1  53 ASP C 1  54 ASP N  1  54 ASP CA 1  54 ASP C  -79.20 -61.20 -63.91 -64.62 -64.76 0.29 18 0 "[    .    1    .    2]" 
        50 . 1  54 ASP N 1  54 ASP CA 1  54 ASP C  1  55 ILE N  -61.90 -17.80 -38.42 -38.94 -39.23    .  . 0 "[    .    1    .    2]" 
        51 . 1  54 ASP C 1  55 ILE N  1  55 ILE CA 1  55 ILE C  -77.10 -58.90 -68.91 -65.37 -66.12    .  . 0 "[    .    1    .    2]" 
        52 . 1  55 ILE N 1  55 ILE CA 1  55 ILE C  1  56 LYS N  -48.70 -27.20 -40.82 -48.75 -35.92 0.05 16 0 "[    .    1    .    2]" 
        53 . 1  55 ILE C 1  56 LYS N  1  56 LYS CA 1  56 LYS C  -71.50 -50.10 -51.29 -49.89 -49.93 0.44  8 0 "[    .    1    .    2]" 
        54 . 1  56 LYS N 1  56 LYS CA 1  56 LYS C  1  57 LYS N  -53.70 -32.40 -48.11 -52.94 -44.19    .  . 0 "[    .    1    .    2]" 
        55 . 1  56 LYS C 1  57 LYS N  1  57 LYS CA 1  57 LYS C  -74.80 -48.60 -54.27 -54.21 -54.84    .  . 0 "[    .    1    .    2]" 
        56 . 1  57 LYS N 1  57 LYS CA 1  57 LYS C  1  58 LEU N  -58.70 -31.30 -48.67 -53.78 -55.60    .  . 0 "[    .    1    .    2]" 
        57 . 1  57 LYS C 1  58 LEU N  1  58 LEU CA 1  58 LEU C  -76.60 -48.80 -64.77 -76.70 -54.41 0.10  5 0 "[    .    1    .    2]" 
        58 . 1  58 LEU N 1  58 LEU CA 1  58 LEU C  1  59 ARG N  -61.90 -26.50 -37.58 -53.87 -33.36    .  . 0 "[    .    1    .    2]" 
        59 . 1  58 LEU C 1  59 ARG N  1  59 ARG CA 1  59 ARG C  -69.40 -54.60 -65.99 -69.17 -69.51 0.59 17 0 "[    .    1    .    2]" 
        60 . 1  59 ARG N 1  59 ARG CA 1  59 ARG C  1  60 ASP N  -59.50 -20.90 -49.42 -56.88 -37.61    .  . 0 "[    .    1    .    2]" 
        61 . 1  59 ARG C 1  60 ASP N  1  60 ASP CA 1  60 ASP C  -83.60 -52.10 -51.27 -52.85 -50.24 1.86  8 0 "[    .    1    .    2]" 
        62 . 1  62 GLU C 1  63 GLU N  1  63 GLU CA 1  63 GLU C  -96.90 -52.90 -69.47 -57.85 -64.80 0.20  6 0 "[    .    1    .    2]" 
        63 . 1  63 GLU N 1  63 GLU CA 1  63 GLU C  1  64 PRO N  114.10 178.20 150.65 151.31 151.26    .  . 0 "[    .    1    .    2]" 
        64 . 1  67 PRO C 1  68 LYS N  1  68 LYS CA 1  68 LYS C  -92.50 -44.90 -65.08 -65.44 -65.99    .  . 0 "[    .    1    .    2]" 
        65 . 1  68 LYS N 1  68 LYS CA 1  68 LYS C  1  69 ILE N  -60.50  -0.30 -10.32 -21.85  -0.76    .  . 0 "[    .    1    .    2]" 
        66 . 1  68 LYS C 1  69 ILE N  1  69 ILE CA 1  69 ILE C  -70.90 -51.70 -69.21 -71.91 -58.02 1.01  9 0 "[    .    1    .    2]" 
        67 . 1  69 ILE N 1  69 ILE CA 1  69 ILE C  1  70 ARG N  -54.10 -35.40 -35.77 -41.71 -34.45 0.95 10 0 "[    .    1    .    2]" 
        68 . 1  69 ILE C 1  70 ARG N  1  70 ARG CA 1  70 ARG C  -74.70 -48.10 -70.29 -71.27 -71.39    .  . 0 "[    .    1    .    2]" 
        69 . 1  70 ARG N 1  70 ARG CA 1  70 ARG C  1  71 VAL N  -52.20 -28.30 -44.56 -45.28 -45.57    .  . 0 "[    .    1    .    2]" 
        70 . 1  70 ARG C 1  71 VAL N  1  71 VAL CA 1  71 VAL C  -67.10 -56.00 -65.95 -64.29 -64.39 1.09 17 0 "[    .    1    .    2]" 
        71 . 1  71 VAL N 1  71 VAL CA 1  71 VAL C  1  72 TYR N  -65.20 -12.90 -45.33 -51.93 -37.17    .  . 0 "[    .    1    .    2]" 
        72 . 1  71 VAL C 1  72 TYR N  1  72 TYR CA 1  72 TYR C  -72.70 -50.90 -64.45 -65.40 -66.19    .  . 0 "[    .    1    .    2]" 
        73 . 1  72 TYR N 1  72 TYR CA 1  72 TYR C  1  73 ASN N  -55.50 -21.20 -40.69 -40.69 -40.84    .  . 0 "[    .    1    .    2]" 
        74 . 1  73 ASN C 1  74 THR N  1  74 THR CA 1  74 THR C  -85.30 -53.30 -59.31 -54.62 -56.28 0.01 19 0 "[    .    1    .    2]" 
        75 . 1  74 THR N 1  74 THR CA 1  74 THR C  1  75 VAL N  -52.90 -26.80 -44.31 -41.84 -42.28    .  . 0 "[    .    1    .    2]" 
        76 . 1  74 THR C 1  75 VAL N  1  75 VAL CA 1  75 VAL C  -71.10 -50.30 -53.08 -57.03 -50.18 0.12 18 0 "[    .    1    .    2]" 
        77 . 1  75 VAL N 1  75 VAL CA 1  75 VAL C  1  76 ILE N  -52.30 -38.10 -42.49 -52.36 -37.50 0.60  7 0 "[    .    1    .    2]" 
        78 . 1  75 VAL C 1  76 ILE N  1  76 ILE CA 1  76 ILE C  -71.10 -55.60 -59.54 -58.52 -58.60 0.82 19 0 "[    .    1    .    2]" 
        79 . 1  76 ILE N 1  76 ILE CA 1  76 ILE C  1  77 SER N  -52.90 -27.60 -38.99 -42.09 -36.60    .  . 0 "[    .    1    .    2]" 
        80 . 1  76 ILE C 1  77 SER N  1  77 SER CA 1  77 SER C  -70.30 -54.40 -59.44 -61.17 -61.47    .  . 0 "[    .    1    .    2]" 
        81 . 1  77 SER N 1  77 SER CA 1  77 SER C  1  78 TYR N  -53.10 -28.00 -34.14 -37.27 -29.36    .  . 0 "[    .    1    .    2]" 
        82 . 1  77 SER C 1  78 TYR N  1  78 TYR CA 1  78 TYR C  -77.50 -55.40 -78.04 -78.28 -77.68 0.78  6 0 "[    .    1    .    2]" 
        83 . 1  78 TYR N 1  78 TYR CA 1  78 TYR C  1  79 ILE N  -59.00 -21.40 -39.54 -42.90 -44.16    .  . 0 "[    .    1    .    2]" 
        84 . 1  78 TYR C 1  79 ILE N  1  79 ILE CA 1  79 ILE C  -89.40 -45.50 -68.51 -72.42 -62.58    .  . 0 "[    .    1    .    2]" 
        85 . 1  79 ILE N 1  79 ILE CA 1  79 ILE C  1  80 GLU N  -58.70 -20.90 -53.02 -55.91 -43.12    .  . 0 "[    .    1    .    2]" 
        86 . 1  79 ILE C 1  80 GLU N  1  80 GLU CA 1  80 GLU C  -75.90 -51.20 -58.17 -57.36 -57.96    .  . 0 "[    .    1    .    2]" 
        87 . 1  80 GLU N 1  80 GLU CA 1  80 GLU C  1  81 SER N  -57.10 -25.40 -43.55 -46.15 -39.14    .  . 0 "[    .    1    .    2]" 
        88 . 1  80 GLU C 1  81 SER N  1  81 SER CA 1  81 SER C  -73.50 -52.80 -62.29 -65.67 -60.11    .  . 0 "[    .    1    .    2]" 
        89 . 1  81 SER N 1  81 SER CA 1  81 SER C  1  82 ASN N  -52.10 -27.20 -44.84 -48.02 -40.81    .  . 0 "[    .    1    .    2]" 
        90 . 1  81 SER C 1  82 ASN N  1  82 ASN CA 1  82 ASN C  -79.10 -51.60 -55.13 -59.75 -52.74    .  . 0 "[    .    1    .    2]" 
        91 . 1  82 ASN N 1  82 ASN CA 1  82 ASN C  1  83 ARG N  -52.60 -36.20 -38.31 -39.73 -41.17    .  . 0 "[    .    1    .    2]" 
        92 . 1  82 ASN C 1  83 ARG N  1  83 ARG CA 1  83 ARG C  -74.20 -52.80 -64.39 -66.24 -67.77    .  . 0 "[    .    1    .    2]" 
        93 . 1  83 ARG N 1  83 ARG CA 1  83 ARG C  1  84 LYS N  -56.70 -14.90 -36.53 -37.56 -37.90    .  . 0 "[    .    1    .    2]" 
        94 . 1  83 ARG C 1  84 LYS N  1  84 LYS CA 1  84 LYS C  -79.00 -56.20 -74.50 -79.18 -65.32 0.18  7 0 "[    .    1    .    2]" 
        95 . 1  84 LYS N 1  84 LYS CA 1  84 LYS C  1  85 ASN N  -48.70 -11.30 -43.30 -43.82 -45.30 0.35  8 0 "[    .    1    .    2]" 
        96 . 1  85 ASN C 1  86 ASN N  1  86 ASN CA 1  86 ASN C  -77.30 -55.00 -72.71 -77.57 -60.20 0.27  8 0 "[    .    1    .    2]" 
        97 . 1  86 ASN N 1  86 ASN CA 1  86 ASN C  1  87 LYS N  -51.90 -17.70 -34.68 -52.12 -17.54 0.22 15 0 "[    .    1    .    2]" 
        98 . 1  86 ASN C 1  87 LYS N  1  87 LYS CA 1  87 LYS C  -79.50 -46.80 -56.75 -60.71 -63.06 0.25 18 0 "[    .    1    .    2]" 
        99 . 1  87 LYS N 1  87 LYS CA 1  87 LYS C  1  88 GLN N  -66.00 -27.20 -38.59 -48.47 -28.34    .  . 0 "[    .    1    .    2]" 
       100 . 1  87 LYS C 1  88 GLN N  1  88 GLN CA 1  88 GLN C  -73.30 -56.00 -71.44 -73.88 -66.53 0.58 17 0 "[    .    1    .    2]" 
       101 . 1  88 GLN N 1  88 GLN CA 1  88 GLN C  1  89 THR N  -49.60 -30.50 -37.08 -33.53 -35.06    .  . 0 "[    .    1    .    2]" 
       102 . 1  88 GLN C 1  89 THR N  1  89 THR CA 1  89 THR C  -72.10 -57.80 -57.26 -59.22 -56.30 1.50 20 0 "[    .    1    .    2]" 
       103 . 1  89 THR N 1  89 THR CA 1  89 THR C  1  90 ILE N  -50.80 -29.40 -40.13 -42.75 -44.80    .  . 0 "[    .    1    .    2]" 
       104 . 1  89 THR C 1  90 ILE N  1  90 ILE CA 1  90 ILE C  -72.80 -55.30 -68.36 -73.09 -55.11 0.29  5 0 "[    .    1    .    2]" 
       105 . 1  90 ILE N 1  90 ILE CA 1  90 ILE C  1  91 HIS N  -54.60 -36.70 -40.13 -54.32 -36.28 0.42 11 0 "[    .    1    .    2]" 
       106 . 1  90 ILE C 1  91 HIS N  1  91 HIS CA 1  91 HIS C  -67.00 -53.70 -58.55 -56.14 -59.22 0.60  8 0 "[    .    1    .    2]" 
       107 . 1  91 HIS N 1  91 HIS CA 1  91 HIS C  1  92 LEU N  -51.70 -31.40 -38.48 -48.57 -31.26 0.14  8 0 "[    .    1    .    2]" 
       108 . 1  91 HIS C 1  92 LEU N  1  92 LEU CA 1  92 LEU C  -77.60 -53.60 -59.96 -53.04 -54.96 1.34 11 0 "[    .    1    .    2]" 
       109 . 1  92 LEU N 1  92 LEU CA 1  92 LEU C  1  93 LEU N  -52.60 -25.60 -42.16 -40.27 -42.04    .  . 0 "[    .    1    .    2]" 
       110 . 1  92 LEU C 1  93 LEU N  1  93 LEU CA 1  93 LEU C  -84.70 -51.50 -65.87 -69.68 -71.43    .  . 0 "[    .    1    .    2]" 
       111 . 1  93 LEU N 1  93 LEU CA 1  93 LEU C  1  94 LYS N  -57.60 -16.20 -28.92 -39.37 -23.03    .  . 0 "[    .    1    .    2]" 
       112 . 1  93 LEU C 1  94 LYS N  1  94 LYS CA 1  94 LYS C  -79.50 -52.00 -74.62 -79.96 -63.13 0.46  4 0 "[    .    1    .    2]" 
       113 . 1  94 LYS N 1  94 LYS CA 1  94 LYS C  1  95 ARG N  -47.20 -10.00 -30.99 -33.11 -38.09    .  . 0 "[    .    1    .    2]" 
       114 . 1  94 LYS C 1  95 ARG N  1  95 ARG CA 1  95 ARG C -109.60 -68.70 -74.06 -81.37 -68.41 0.29 12 0 "[    .    1    .    2]" 
       115 . 1  95 ARG N 1  95 ARG CA 1  95 ARG C  1  96 LEU N  -25.70  13.90 -25.52 -26.68 -19.08 0.98 20 0 "[    .    1    .    2]" 
       116 . 1  95 ARG C 1  96 LEU N  1  96 LEU CA 1  96 LEU C  -95.90 -39.80 -89.49 -96.23 -76.30 0.33 20 0 "[    .    1    .    2]" 
       117 . 1  96 LEU N 1  96 LEU CA 1  96 LEU C  1  97 PRO N  106.80 166.90 145.09 108.51 150.93    .  . 0 "[    .    1    .    2]" 
       118 . 1  97 PRO C 1  98 ALA N  1  98 ALA CA 1  98 ALA C  -71.30 -31.60 -57.36 -71.57 -42.82 0.27 18 0 "[    .    1    .    2]" 
       119 . 1  98 ALA N 1  98 ALA CA 1  98 ALA C  1  99 ASP N  -68.20 -18.90 -19.47 -20.39 -20.99 1.80 17 0 "[    .    1    .    2]" 
       120 . 1  98 ALA C 1  99 ASP N  1  99 ASP CA 1  99 ASP C  -81.30 -50.90 -74.18 -79.37 -69.33    .  . 0 "[    .    1    .    2]" 
       121 . 1  99 ASP N 1  99 ASP CA 1  99 ASP C  1 100 VAL N  -56.10 -16.80 -40.13 -46.20 -35.07    .  . 0 "[    .    1    .    2]" 
       122 . 1  99 ASP C 1 100 VAL N  1 100 VAL CA 1 100 VAL C  -79.70 -49.90 -83.21 -83.83 -81.96 4.13  7 0 "[    .    1    .    2]" 
       123 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C  1 101 LEU N  -56.50 -26.50 -34.20 -40.63 -30.56    .  . 0 "[    .    1    .    2]" 
       124 . 1 100 VAL C 1 101 LEU N  1 101 LEU CA 1 101 LEU C  -70.20 -58.00 -57.10 -57.14 -57.15 2.06 12 0 "[    .    1    .    2]" 
       125 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C  1 102 LYS N  -48.30 -37.00 -47.03 -48.97 -43.90 0.67 16 0 "[    .    1    .    2]" 
       126 . 1 101 LEU C 1 102 LYS N  1 102 LYS CA 1 102 LYS C  -68.70 -60.30 -57.52 -58.19 -56.88 3.42 15 0 "[    .    1    .    2]" 
       127 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C  1 103 LYS N  -52.10 -32.10 -35.11 -32.36 -33.69 0.70  2 0 "[    .    1    .    2]" 
       128 . 1 102 LYS C 1 103 LYS N  1 103 LYS CA 1 103 LYS C  -69.70 -58.80 -70.01 -68.71 -69.91 1.24 14 0 "[    .    1    .    2]" 
       129 . 1 103 LYS N 1 103 LYS CA 1 103 LYS C  1 104 THR N  -54.00 -19.00 -38.95 -38.14 -38.47    .  . 0 "[    .    1    .    2]" 
       130 . 1 103 LYS C 1 104 THR N  1 104 THR CA 1 104 THR C  -70.80 -57.40 -62.02 -65.80 -58.76    .  . 0 "[    .    1    .    2]" 
       131 . 1 104 THR N 1 104 THR CA 1 104 THR C  1 105 ILE N  -49.50 -28.80 -41.39 -46.39 -36.74    .  . 0 "[    .    1    .    2]" 
       132 . 1 104 THR C 1 105 ILE N  1 105 ILE CA 1 105 ILE C  -73.50 -57.40 -65.31 -61.34 -61.90    .  . 0 "[    .    1    .    2]" 
       133 . 1 105 ILE N 1 105 ILE CA 1 105 ILE C  1 106 LYS N  -59.70 -26.90 -36.87 -42.25 -29.39    .  . 0 "[    .    1    .    2]" 
       134 . 1 105 ILE C 1 106 LYS N  1 106 LYS CA 1 106 LYS C  -73.50 -50.50 -62.75 -60.03 -60.79    .  . 0 "[    .    1    .    2]" 
       135 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C  1 107 ASN N  -57.80 -33.60 -53.62 -50.67 -50.68 0.55 14 0 "[    .    1    .    2]" 
       136 . 1 106 LYS C 1 107 ASN N  1 107 ASN CA 1 107 ASN C  -70.30 -58.90 -57.78 -58.55 -57.29 1.61 20 0 "[    .    1    .    2]" 
       137 . 1 107 ASN N 1 107 ASN CA 1 107 ASN C  1 108 THR N  -54.30 -20.20 -23.22 -25.66 -19.77 0.43  6 0 "[    .    1    .    2]" 
       138 . 1 107 ASN C 1 108 THR N  1 108 THR CA 1 108 THR C  -85.00 -46.90 -79.86 -76.16 -77.48    .  . 0 "[    .    1    .    2]" 
       139 . 1 108 THR N 1 108 THR CA 1 108 THR C  1 109 LEU N  -54.10 -26.00 -45.65 -45.55 -45.76    .  . 0 "[    .    1    .    2]" 
       140 . 1 108 THR C 1 109 LEU N  1 109 LEU CA 1 109 LEU C  -75.60 -55.20 -66.24 -64.88 -66.46    .  . 0 "[    .    1    .    2]" 
       141 . 1 109 LEU N 1 109 LEU CA 1 109 LEU C  1 110 ASP N  -50.70 -30.20 -29.99 -30.95 -29.47 0.73 15 0 "[    .    1    .    2]" 
       142 . 1 109 LEU C 1 110 ASP N  1 110 ASP CA 1 110 ASP C  -80.30 -60.30 -60.23 -63.30 -58.63 1.67 15 0 "[    .    1    .    2]" 
       143 . 1 110 ASP N 1 110 ASP CA 1 110 ASP C  1 111 ILE N  -56.90 -16.30 -36.27 -32.41 -34.42    .  . 0 "[    .    1    .    2]" 
       144 . 1 110 ASP C 1 111 ILE N  1 111 ILE CA 1 111 ILE C  -72.60 -58.60 -69.88 -73.10 -58.57 0.50 15 0 "[    .    1    .    2]" 
       145 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C  1 112 HIS N  -49.30 -37.30 -45.67 -49.97 -39.22 0.67 20 0 "[    .    1    .    2]" 
       146 . 1 111 ILE C 1 112 HIS N  1 112 HIS CA 1 112 HIS C  -71.00 -56.20 -61.19 -55.76 -56.07 0.83 18 0 "[    .    1    .    2]" 
       147 . 1 112 HIS N 1 112 HIS CA 1 112 HIS C  1 113 LYS N  -52.00 -26.30 -44.69 -47.40 -38.74    .  . 0 "[    .    1    .    2]" 
       148 . 1 112 HIS C 1 113 LYS N  1 113 LYS CA 1 113 LYS C  -75.40 -52.60 -66.95 -57.10 -59.74    .  . 0 "[    .    1    .    2]" 
       149 . 1 113 LYS N 1 113 LYS CA 1 113 LYS C  1 114 SER N  -54.80 -24.50 -31.65 -48.50 -24.09 0.41  6 0 "[    .    1    .    2]" 
       150 . 1 113 LYS C 1 114 SER N  1 114 SER CA 1 114 SER C  -83.50 -54.50 -65.26 -54.33 -64.88 1.10 19 0 "[    .    1    .    2]" 
       151 . 1 114 SER N 1 114 SER CA 1 114 SER C  1 115 ILE N  -52.80 -12.60 -40.78 -35.41 -37.44    .  . 0 "[    .    1    .    2]" 
    stop_

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