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
446942 2knr 16476 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2knr


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              138
    _TA_constraint_stats_list.Viol_count                    387
    _TA_constraint_stats_list.Viol_total                    11730.32
    _TA_constraint_stats_list.Viol_max                      5.14
    _TA_constraint_stats_list.Viol_rms                      0.65
    _TA_constraint_stats_list.Viol_average_all_restraints   0.21
    _TA_constraint_stats_list.Viol_average_violations_only  1.52
    _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   6 LEU C 1   7 LYS N  1   7 LYS CA 1   7 LYS C -110.60  -40.60  -74.83  -72.96  -74.54    .  . 0 "[    .    1    .    2]" 
         2 . 1   7 LYS N 1   7 LYS CA 1   7 LYS C  1   8 SER N  106.80 -177.50  167.37  155.61  178.77    .  . 0 "[    .    1    .    2]" 
         3 . 1   7 LYS C 1   8 SER N  1   8 SER CA 1   8 SER C  -73.80  -48.50  -59.77  -64.35  -54.65    .  . 0 "[    .    1    .    2]" 
         4 . 1   8 SER N 1   8 SER CA 1   8 SER C  1   9 GLU N  -63.80  -14.80  -42.22  -40.88  -42.89    .  . 0 "[    .    1    .    2]" 
         5 . 1   8 SER C 1   9 GLU N  1   9 GLU CA 1   9 GLU C  -74.00  -49.30  -62.75  -61.29  -63.50    .  . 0 "[    .    1    .    2]" 
         6 . 1   9 GLU N 1   9 GLU CA 1   9 GLU C  1  10 MET N  -59.20  -30.90  -46.87  -55.60  -35.31    .  . 0 "[    .    1    .    2]" 
         7 . 1   9 GLU C 1  10 MET N  1  10 MET CA 1  10 MET C  -75.60  -54.50  -71.94  -69.59  -71.70 1.74  1 0 "[    .    1    .    2]" 
         8 . 1  10 MET N 1  10 MET CA 1  10 MET C  1  11 PHE N  -54.10  -24.30  -24.84  -26.51  -26.57 2.77 17 0 "[    .    1    .    2]" 
         9 . 1  10 MET C 1  11 PHE N  1  11 PHE CA 1  11 PHE C  -80.20  -52.40  -71.45  -67.47  -69.86    .  . 0 "[    .    1    .    2]" 
        10 . 1  11 PHE N 1  11 PHE CA 1  11 PHE C  1  12 VAL N  -56.00  -26.10  -46.82  -52.50  -40.97    .  . 0 "[    .    1    .    2]" 
        11 . 1  11 PHE C 1  12 VAL N  1  12 VAL CA 1  12 VAL C  -74.30  -54.40  -63.54  -60.68  -61.47    .  . 0 "[    .    1    .    2]" 
        12 . 1  12 VAL N 1  12 VAL CA 1  12 VAL C  1  13 SER N  -57.20  -31.50  -43.22  -53.91  -36.51    .  . 0 "[    .    1    .    2]" 
        13 . 1  12 VAL C 1  13 SER N  1  13 SER CA 1  13 SER C  -72.30  -49.50  -59.56  -60.19  -62.36    .  . 0 "[    .    1    .    2]" 
        14 . 1  13 SER N 1  13 SER CA 1  13 SER C  1  14 ALA N  -55.30  -27.70  -45.46  -41.84  -44.05    .  . 0 "[    .    1    .    2]" 
        15 . 1  13 SER C 1  14 ALA N  1  14 ALA CA 1  14 ALA C  -76.80  -56.50  -67.61  -74.91  -60.22    .  . 0 "[    .    1    .    2]" 
        16 . 1  14 ALA N 1  14 ALA CA 1  14 ALA C  1  15 LEU N  -54.30  -26.60  -36.09  -41.46  -30.67    .  . 0 "[    .    1    .    2]" 
        17 . 1  14 ALA C 1  15 LEU N  1  15 LEU CA 1  15 LEU C  -78.00  -53.30  -62.87  -61.48  -62.42    .  . 0 "[    .    1    .    2]" 
        18 . 1  15 LEU N 1  15 LEU CA 1  15 LEU C  1  16 ILE N  -56.40  -23.90  -41.80  -44.68  -38.51    .  . 0 "[    .    1    .    2]" 
        19 . 1  15 LEU C 1  16 ILE N  1  16 ILE CA 1  16 ILE C  -73.00  -53.00  -61.24  -58.84  -60.14    .  . 0 "[    .    1    .    2]" 
        20 . 1  16 ILE N 1  16 ILE CA 1  16 ILE C  1  17 ARG N  -56.00  -33.30  -41.28  -50.91  -33.66    .  . 0 "[    .    1    .    2]" 
        21 . 1  16 ILE C 1  17 ARG N  1  17 ARG CA 1  17 ARG C  -72.40  -49.10  -71.31  -74.49  -65.22 2.09 12 0 "[    .    1    .    2]" 
        22 . 1  17 ARG N 1  17 ARG CA 1  17 ARG C  1  18 ARG N  -54.40  -26.30  -27.90  -26.41  -27.35 2.54  2 0 "[    .    1    .    2]" 
        23 . 1  17 ARG C 1  18 ARG N  1  18 ARG CA 1  18 ARG C  -77.50  -57.50  -64.78  -66.53  -66.98    .  . 0 "[    .    1    .    2]" 
        24 . 1  18 ARG N 1  18 ARG CA 1  18 ARG C  1  19 VAL N  -55.90  -26.70  -45.17  -49.54  -42.30    .  . 0 "[    .    1    .    2]" 
        25 . 1  18 ARG C 1  19 VAL N  1  19 VAL CA 1  19 VAL C  -74.40  -54.40  -71.99  -74.77  -67.95 0.37 16 0 "[    .    1    .    2]" 
        26 . 1  19 VAL N 1  19 VAL CA 1  19 VAL C  1  20 PHE N  -53.20  -33.20  -39.09  -35.08  -36.22    .  . 0 "[    .    1    .    2]" 
        27 . 1  19 VAL C 1  20 PHE N  1  20 PHE CA 1  20 PHE C  -73.70  -51.30  -68.81  -72.17  -64.93    .  . 0 "[    .    1    .    2]" 
        28 . 1  20 PHE N 1  20 PHE CA 1  20 PHE C  1  21 ALA N  -52.60  -30.40  -29.35  -35.81  -27.26 3.14 10 0 "[    .    1    .    2]" 
        29 . 1  20 PHE C 1  21 ALA N  1  21 ALA CA 1  21 ALA C  -76.30  -56.30  -66.99  -65.82  -66.91    .  . 0 "[    .    1    .    2]" 
        30 . 1  21 ALA N 1  21 ALA CA 1  21 ALA C  1  22 ALA N  -42.10  -10.10  -30.27  -40.92  -21.13    .  . 0 "[    .    1    .    2]" 
        31 . 1  24 GLY C 1  25 PHE N  1  25 PHE CA 1  25 PHE C  173.70  -52.90 -119.56 -140.60 -107.60    .  . 0 "[    .    1    .    2]" 
        32 . 1  25 PHE N 1  25 PHE CA 1  25 PHE C  1  26 ALA N  117.90  166.90  156.89  156.63  156.57    .  . 0 "[    .    1    .    2]" 
        33 . 1  26 ALA C 1  27 ALA N  1  27 ALA CA 1  27 ALA C  174.10  -86.40 -168.89 -177.02 -164.75    .  . 0 "[    .    1    .    2]" 
        34 . 1  27 ALA N 1  27 ALA CA 1  27 ALA C  1  28 VAL N  122.40  176.10  130.95  120.18  143.38 2.22 18 0 "[    .    1    .    2]" 
        35 . 1  27 ALA C 1  28 VAL N  1  28 VAL CA 1  28 VAL C -106.90  -61.50  -79.36  -90.94  -69.54    .  . 0 "[    .    1    .    2]" 
        36 . 1  28 VAL N 1  28 VAL CA 1  28 VAL C  1  29 GLU N   94.40  147.60  106.31   96.71  119.77    .  . 0 "[    .    1    .    2]" 
        37 . 1  29 GLU C 1  30 LYS N  1  30 LYS CA 1  30 LYS C -154.20  -91.90 -105.75  -93.05  -95.92 0.02  2 0 "[    .    1    .    2]" 
        38 . 1  30 LYS N 1  30 LYS CA 1  30 LYS C  1  31 LYS N  102.50  164.50  145.35  146.78  146.78    .  . 0 "[    .    1    .    2]" 
        39 . 1  33 ALA C 1  34 GLU N  1  34 GLU CA 1  34 GLU C  -76.70  -48.90  -66.95  -75.96  -56.96    .  . 0 "[    .    1    .    2]" 
        40 . 1  34 GLU N 1  34 GLU CA 1  34 GLU C  1  35 ALA N  -62.00  -18.10  -47.83  -64.08  -29.84 2.08 19 0 "[    .    1    .    2]" 
        41 . 1  34 GLU C 1  35 ALA N  1  35 ALA CA 1  35 ALA C  -94.30  -45.50  -90.54  -95.14  -78.40 0.84  9 0 "[    .    1    .    2]" 
        42 . 1  35 ALA N 1  35 ALA CA 1  35 ALA C  1  36 ALA N  -64.20   -2.80  -50.94  -44.17  -47.17    .  . 0 "[    .    1    .    2]" 
        43 . 1  35 ALA C 1  36 ALA N  1  36 ALA CA 1  36 ALA C -117.60  -65.90 -103.40 -119.59  -80.15 1.99 12 0 "[    .    1    .    2]" 
        44 . 1  36 ALA N 1  36 ALA CA 1  36 ALA C  1  37 GLY N  -25.30   32.30   10.57   -8.09   28.23    .  . 0 "[    .    1    .    2]" 
        45 . 1  38 ALA C 1  39 ILE N  1  39 ILE CA 1  39 ILE C  176.70  -74.20 -130.99 -141.60  -85.53    .  . 0 "[    .    1    .    2]" 
        46 . 1  39 ILE N 1  39 ILE CA 1  39 ILE C  1  40 PHE N  101.60  176.90  115.61  105.08  137.98    .  . 0 "[    .    1    .    2]" 
        47 . 1  39 ILE C 1  40 PHE N  1  40 PHE CA 1  40 PHE C -138.20  -92.60 -116.27 -118.71 -120.63    .  . 0 "[    .    1    .    2]" 
        48 . 1  40 PHE N 1  40 PHE CA 1  40 PHE C  1  41 VAL N  114.80  175.70  114.31  111.87  135.54 2.93  2 0 "[    .    1    .    2]" 
        49 . 1  40 PHE C 1  41 VAL N  1  41 VAL CA 1  41 VAL C -141.70 -109.70 -110.94 -108.79 -109.17 2.35  4 0 "[    .    1    .    2]" 
        50 . 1  41 VAL N 1  41 VAL CA 1  41 VAL C  1  42 ARG N  108.60  152.70  135.31  126.36  149.54    .  . 0 "[    .    1    .    2]" 
        51 . 1  41 VAL C 1  42 ARG N  1  42 ARG CA 1  42 ARG C -138.70 -109.10 -111.08 -123.14 -105.69 3.41  8 0 "[    .    1    .    2]" 
        52 . 1  42 ARG N 1  42 ARG CA 1  42 ARG C  1  43 GLN N  109.80  151.50  121.93  108.23  146.39 1.57  4 0 "[    .    1    .    2]" 
        53 . 1  42 ARG C 1  43 GLN N  1  43 GLN CA 1  43 GLN C -143.10  -83.00  -90.06 -128.84  -78.37 4.63 20 0 "[    .    1    .    2]" 
        54 . 1  43 GLN N 1  43 GLN CA 1  43 GLN C  1  44 ARG N  104.20  158.00  130.56  109.58  149.75    .  . 0 "[    .    1    .    2]" 
        55 . 1  43 GLN C 1  44 ARG N  1  44 ARG CA 1  44 ARG C -129.20  -58.00 -105.33  -97.06 -104.49 1.62 12 0 "[    .    1    .    2]" 
        56 . 1  44 ARG N 1  44 ARG CA 1  44 ARG C  1  45 LEU N   93.80  158.30  117.58  111.76  105.96    .  . 0 "[    .    1    .    2]" 
        57 . 1  44 ARG C 1  45 LEU N  1  45 LEU CA 1  45 LEU C -141.70  -38.30  -83.85  -76.94  -79.65    .  . 0 "[    .    1    .    2]" 
        58 . 1  45 LEU N 1  45 LEU CA 1  45 LEU C  1  46 ARG N   71.80 -169.30  150.20  137.89  126.03    .  . 0 "[    .    1    .    2]" 
        59 . 1  45 LEU C 1  46 ARG N  1  46 ARG CA 1  46 ARG C  -76.20  -46.20  -61.54  -69.89  -48.36    .  . 0 "[    .    1    .    2]" 
        60 . 1  46 ARG N 1  46 ARG CA 1  46 ARG C  1  47 ASP N  -45.80   -6.30  -19.64  -30.93   -7.14    .  . 0 "[    .    1    .    2]" 
        61 . 1  49 ARG C 1  50 GLU N  1  50 GLU CA 1  50 GLU C -169.90  -94.10 -142.11 -135.69 -138.75    .  . 0 "[    .    1    .    2]" 
        62 . 1  50 GLU N 1  50 GLU CA 1  50 GLU C  1  51 ASN N  133.80 -177.40  156.12  163.89  161.21    .  . 0 "[    .    1    .    2]" 
        63 . 1  50 GLU C 1  51 ASN N  1  51 ASN CA 1  51 ASN C -159.50  -96.50 -122.43 -143.95 -102.62    .  . 0 "[    .    1    .    2]" 
        64 . 1  51 ASN N 1  51 ASN CA 1  51 ASN C  1  52 LEU N  112.90  171.00  159.72  166.82  164.73 3.72  3 0 "[    .    1    .    2]" 
        65 . 1  51 ASN C 1  52 LEU N  1  52 LEU CA 1  52 LEU C -149.90 -103.90 -128.59 -147.17  -99.88 4.02 19 0 "[    .    1    .    2]" 
        66 . 1  52 LEU N 1  52 LEU CA 1  52 LEU C  1  53 TYR N  119.30  140.20  141.92  137.36  144.23 4.03 17 0 "[    .    1    .    2]" 
        67 . 1  52 LEU C 1  53 TYR N  1  53 TYR CA 1  53 TYR C -132.70  -79.00 -129.98 -132.95 -126.37 0.25 11 0 "[    .    1    .    2]" 
        68 . 1  53 TYR N 1  53 TYR CA 1  53 TYR C  1  54 GLY N  120.20  162.70  149.74  117.19  162.13 3.01  3 0 "[    .    1    .    2]" 
        69 . 1  53 TYR C 1  54 GLY N  1  54 GLY CA 1  54 GLY C -178.40  -46.00 -143.93 -155.83 -108.72    .  . 0 "[    .    1    .    2]" 
        70 . 1  54 GLY N 1  54 GLY CA 1  54 GLY C  1  55 PRO N   90.30 -161.60  169.06  160.61  179.55    .  . 0 "[    .    1    .    2]" 
        71 . 1  55 PRO C 1  56 ALA N  1  56 ALA CA 1  56 ALA C -144.90  -42.60  -72.39 -105.78  -56.51    .  . 0 "[    .    1    .    2]" 
        72 . 1  56 ALA N 1  56 ALA CA 1  56 ALA C  1  57 PRO N   57.10 -171.30  151.99  139.61  164.06    .  . 0 "[    .    1    .    2]" 
        73 . 1  63 ASP C 1  64 GLU N  1  64 GLU CA 1  64 GLU C -103.50  -36.00  -72.40  -82.24  -65.48    .  . 0 "[    .    1    .    2]" 
        74 . 1  64 GLU N 1  64 GLU CA 1  64 GLU C  1  65 ASP N  -61.00  -15.70  -52.39  -61.66  -35.35 0.66  8 0 "[    .    1    .    2]" 
        75 . 1  64 GLU C 1  65 ASP N  1  65 ASP CA 1  65 ASP C -104.80  -45.00  -64.19  -84.57  -55.72    .  . 0 "[    .    1    .    2]" 
        76 . 1  65 ASP N 1  65 ASP CA 1  65 ASP C  1  66 ILE N  -54.30   -9.60  -11.28   -6.64   -7.79 4.89 18 0 "[    .    1    .    2]" 
        77 . 1  71 ARG C 1  72 ARG N  1  72 ARG CA 1  72 ARG C -170.30  -68.30  -89.96 -121.28  -72.46    .  . 0 "[    .    1    .    2]" 
        78 . 1  72 ARG N 1  72 ARG CA 1  72 ARG C  1  73 PHE N  102.80  179.70  157.44  148.13  167.29    .  . 0 "[    .    1    .    2]" 
        79 . 1  72 ARG C 1  73 PHE N  1  73 PHE CA 1  73 PHE C -157.40 -102.60 -101.14 -101.49 -101.53 2.99  8 0 "[    .    1    .    2]" 
        80 . 1  73 PHE N 1  73 PHE CA 1  73 PHE C  1  74 GLU N  129.00  173.60  173.48  164.80  177.31 3.71  1 0 "[    .    1    .    2]" 
        81 . 1  73 PHE C 1  74 GLU N  1  74 GLU CA 1  74 GLU C -147.90  -98.30 -136.75 -141.48 -142.59    .  . 0 "[    .    1    .    2]" 
        82 . 1  74 GLU N 1  74 GLU CA 1  74 GLU C  1  75 THR N   98.00  167.40  160.49  169.45  169.40 2.05  2 0 "[    .    1    .    2]" 
        83 . 1  74 GLU C 1  75 THR N  1  75 THR CA 1  75 THR C -103.30  -50.10  -94.20 -103.87  -79.70 0.57  7 0 "[    .    1    .    2]" 
        84 . 1  75 THR N 1  75 THR CA 1  75 THR C  1  76 ARG N  100.90  161.70  106.41  111.38  109.85 0.77 19 0 "[    .    1    .    2]" 
        85 . 1  76 ARG C 1  77 LEU N  1  77 LEU CA 1  77 LEU C  170.90 -105.40 -123.68 -139.60 -105.74    .  . 0 "[    .    1    .    2]" 
        86 . 1  77 LEU N 1  77 LEU CA 1  77 LEU C  1  78 ALA N  127.20  170.60  157.54  159.88  159.17    .  . 0 "[    .    1    .    2]" 
        87 . 1  77 LEU C 1  78 ALA N  1  78 ALA CA 1  78 ALA C -154.40  -88.40 -152.24 -156.91 -144.47 2.51 17 0 "[    .    1    .    2]" 
        88 . 1  78 ALA N 1  78 ALA CA 1  78 ALA C  1  79 GLY N   94.50  161.70  129.77  134.94  133.12    .  . 0 "[    .    1    .    2]" 
        89 . 1  79 GLY C 1  80 VAL N  1  80 VAL CA 1  80 VAL C -152.60  -67.00 -104.45 -103.96 -106.34    .  . 0 "[    .    1    .    2]" 
        90 . 1  80 VAL N 1  80 VAL CA 1  80 VAL C  1  81 GLU N  122.80 -168.40 -173.94  150.13 -165.36 3.04 20 0 "[    .    1    .    2]" 
        91 . 1  80 VAL C 1  81 GLU N  1  81 GLU CA 1  81 GLU C -128.50  -42.90 -103.93 -107.60 -111.47    .  . 0 "[    .    1    .    2]" 
        92 . 1  81 GLU N 1  81 GLU CA 1  81 GLU C  1  82 GLY N  135.30 -173.40  169.09  160.45  176.09    .  . 0 "[    .    1    .    2]" 
        93 . 1  82 GLY C 1  83 GLU N  1  83 GLU CA 1  83 GLU C  -78.90  -52.20  -65.14  -75.81  -55.90    .  . 0 "[    .    1    .    2]" 
        94 . 1  83 GLU N 1  83 GLU CA 1  83 GLU C  1  84 GLU N  -64.90  -18.60  -44.07  -42.54  -44.59    .  . 0 "[    .    1    .    2]" 
        95 . 1  83 GLU C 1  84 GLU N  1  84 GLU CA 1  84 GLU C  -82.30  -58.10  -66.51  -71.17  -60.02    .  . 0 "[    .    1    .    2]" 
        96 . 1  84 GLU N 1  84 GLU CA 1  84 GLU C  1  85 ILE N  -51.60  -24.30  -38.30  -39.81  -40.53    .  . 0 "[    .    1    .    2]" 
        97 . 1  84 GLU C 1  85 ILE N  1  85 ILE CA 1  85 ILE C  -79.10  -55.80  -60.77  -65.29  -56.84    .  . 0 "[    .    1    .    2]" 
        98 . 1  85 ILE N 1  85 ILE CA 1  85 ILE C  1  86 ALA N  -55.90  -31.40  -55.75  -56.68  -56.91 2.03 16 0 "[    .    1    .    2]" 
        99 . 1  85 ILE C 1  86 ALA N  1  86 ALA CA 1  86 ALA C  -71.30  -48.50  -65.54  -64.44  -64.93    .  . 0 "[    .    1    .    2]" 
       100 . 1  86 ALA N 1  86 ALA CA 1  86 ALA C  1  87 ALA N  -54.70  -20.70  -27.16  -32.32  -20.05 0.65 16 0 "[    .    1    .    2]" 
       101 . 1  86 ALA C 1  87 ALA N  1  87 ALA CA 1  87 ALA C  -81.50  -51.40  -63.89  -63.86  -64.78    .  . 0 "[    .    1    .    2]" 
       102 . 1  87 ALA N 1  87 ALA CA 1  87 ALA C  1  88 LEU N  -53.20  -22.20  -37.63  -46.16  -29.22    .  . 0 "[    .    1    .    2]" 
       103 . 1  87 ALA C 1  88 LEU N  1  88 LEU CA 1  88 LEU C  -80.20  -52.10  -81.13  -83.52  -74.55 3.32 17 0 "[    .    1    .    2]" 
       104 . 1  88 LEU N 1  88 LEU CA 1  88 LEU C  1  89 LEU N  -59.80  -25.80  -41.35  -47.93  -35.78    .  . 0 "[    .    1    .    2]" 
       105 . 1  88 LEU C 1  89 LEU N  1  89 LEU CA 1  89 LEU C  -67.90  -47.90  -56.55  -56.23  -56.87    .  . 0 "[    .    1    .    2]" 
       106 . 1  89 LEU N 1  89 LEU CA 1  89 LEU C  1  90 GLU N  -52.70  -29.10  -31.27  -40.45  -27.05 2.05  6 0 "[    .    1    .    2]" 
       107 . 1  89 LEU C 1  90 GLU N  1  90 GLU CA 1  90 GLU C  -76.30  -53.20  -69.69  -76.84  -61.46 0.54  4 0 "[    .    1    .    2]" 
       108 . 1  90 GLU N 1  90 GLU CA 1  90 GLU C  1  91 ARG N  -52.60  -27.70  -37.18  -36.07  -41.57    .  . 0 "[    .    1    .    2]" 
       109 . 1  90 GLU C 1  91 ARG N  1  91 ARG CA 1  91 ARG C  -72.30  -50.80  -72.32  -77.06  -66.48 4.76  9 0 "[    .    1    .    2]" 
       110 . 1  91 ARG N 1  91 ARG CA 1  91 ARG C  1  92 GLU N  -59.50  -26.30  -46.32  -53.77  -34.41    .  . 0 "[    .    1    .    2]" 
       111 . 1  91 ARG C 1  92 GLU N  1  92 GLU CA 1  92 GLU C  -78.20  -47.60  -68.94  -64.22  -66.47    .  . 0 "[    .    1    .    2]" 
       112 . 1  92 GLU N 1  92 GLU CA 1  92 GLU C  1  93 ARG N  -54.60  -26.10  -39.76  -34.52  -36.49    .  . 0 "[    .    1    .    2]" 
       113 . 1  92 GLU C 1  93 ARG N  1  93 ARG CA 1  93 ARG C  -74.40  -53.40  -66.98  -72.22  -59.00    .  . 0 "[    .    1    .    2]" 
       114 . 1  93 ARG N 1  93 ARG CA 1  93 ARG C  1  94 ARG N  -51.10  -31.10  -29.45  -30.82  -35.67 5.14 19 1 "[    .    1    .   +2]" 
       115 . 1  93 ARG C 1  94 ARG N  1  94 ARG CA 1  94 ARG C  -80.20  -52.70  -61.46  -66.19  -55.05    .  . 0 "[    .    1    .    2]" 
       116 . 1  94 ARG N 1  94 ARG CA 1  94 ARG C  1  95 PHE N  -48.90  -20.30  -43.53  -46.46  -47.93 0.52  9 0 "[    .    1    .    2]" 
       117 . 1  94 ARG C 1  95 PHE N  1  95 PHE CA 1  95 PHE C -113.80  -54.90  -81.36  -96.55  -67.67    .  . 0 "[    .    1    .    2]" 
       118 . 1  95 PHE N 1  95 PHE CA 1  95 PHE C  1  96 ASP N  -67.60    9.80  -44.00  -44.00  -45.25    .  . 0 "[    .    1    .    2]" 
       119 . 1  96 ASP C 1  97 SER N  1  97 SER CA 1  97 SER C  -77.20  -47.40  -74.70  -72.62  -73.95 1.75 17 0 "[    .    1    .    2]" 
       120 . 1  97 SER N 1  97 SER CA 1  97 SER C  1  98 ASP N  -63.80   -3.80   -6.89  -25.27   -0.75 3.05 17 0 "[    .    1    .    2]" 
       121 . 1  99 LEU C 1 100 TRP N  1 100 TRP CA 1 100 TRP C -174.80  -49.00 -111.24 -118.55 -101.92    .  . 0 "[    .    1    .    2]" 
       122 . 1 100 TRP N 1 100 TRP CA 1 100 TRP C  1 101 VAL N  129.10  179.40  134.47  124.26  159.28 4.84  5 0 "[    .    1    .    2]" 
       123 . 1 100 TRP C 1 101 VAL N  1 101 VAL CA 1 101 VAL C -156.30  -68.60 -108.84 -113.97 -119.26    .  . 0 "[    .    1    .    2]" 
       124 . 1 101 VAL N 1 101 VAL CA 1 101 VAL C  1 102 VAL N  117.20  144.20  121.14  114.97  129.95 2.23  2 0 "[    .    1    .    2]" 
       125 . 1 101 VAL C 1 102 VAL N  1 102 VAL CA 1 102 VAL C -150.90  -88.20 -119.04 -117.96 -119.78    .  . 0 "[    .    1    .    2]" 
       126 . 1 102 VAL N 1 102 VAL CA 1 102 VAL C  1 103 GLU N  115.10  147.80  120.49  112.80  129.17 2.30 12 0 "[    .    1    .    2]" 
       127 . 1 102 VAL C 1 103 GLU N  1 103 GLU CA 1 103 GLU C -149.80  -88.30  -88.00  -98.09  -85.31 2.99 11 0 "[    .    1    .    2]" 
       128 . 1 103 GLU N 1 103 GLU CA 1 103 GLU C  1 104 ILE N  109.10  172.30  117.63  105.31  143.73 3.79  7 0 "[    .    1    .    2]" 
       129 . 1 103 GLU C 1 104 ILE N  1 104 ILE CA 1 104 ILE C -158.60 -105.20 -113.92 -105.11 -105.68 2.70 10 0 "[    .    1    .    2]" 
       130 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C  1 105 GLU N  124.60  163.50  140.46  134.13  131.30 3.75  4 0 "[    .    1    .    2]" 
       131 . 1 104 ILE C 1 105 GLU N  1 105 GLU CA 1 105 GLU C -154.00  -75.20 -119.21 -108.17 -109.98    .  . 0 "[    .    1    .    2]" 
       132 . 1 105 GLU N 1 105 GLU CA 1 105 GLU C  1 106 THR N  102.60  153.90  109.38  116.64  110.27 2.92  8 0 "[    .    1    .    2]" 
       133 . 1 105 GLU C 1 106 THR N  1 106 THR CA 1 106 THR C -173.30  -50.40 -164.93 -172.76 -157.23    .  . 0 "[    .    1    .    2]" 
       134 . 1 106 THR N 1 106 THR CA 1 106 THR C  1 107 ASP N   79.20  162.90  160.51  163.98  162.75 3.51  7 0 "[    .    1    .    2]" 
       135 . 1 113 LEU C 1 114 THR N  1 114 THR CA 1 114 THR C -120.00  -53.80  -95.94 -112.43  -83.03    .  . 0 "[    .    1    .    2]" 
       136 . 1 114 THR N 1 114 THR CA 1 114 THR C  1 115 LEU N   91.50  146.80  132.59  121.38  138.17    .  . 0 "[    .    1    .    2]" 
       137 . 1 117 ASP C 1 118 GLN N  1 118 GLN CA 1 118 GLN C  -95.80  -55.40  -70.04  -65.30  -66.75    .  . 0 "[    .    1    .    2]" 
       138 . 1 118 GLN N 1 118 GLN CA 1 118 GLN C  1 119 PRO N  122.00  165.70  147.17  124.00  164.59    .  . 0 "[    .    1    .    2]" 
    stop_

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