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
612479 5uj5 30231 cing 4-filtered-FRED Wattos check violation dihedral angle


data_5uj5


save_dihedral_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                    489
    _TA_constraint_stats_list.Viol_total                    10749.27
    _TA_constraint_stats_list.Viol_max                      9.48
    _TA_constraint_stats_list.Viol_rms                      0.93
    _TA_constraint_stats_list.Viol_average_all_restraints   0.19
    _TA_constraint_stats_list.Viol_average_violations_only  1.10
    _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   6 ASP C 1   7 MET N  1   7 MET CA 1   7 MET C -145.70  -13.20 -113.10 -145.63  -55.34    .  .  0 "[    .    1    .    2]" 
         2 PSI 1   7 MET N 1   7 MET CA 1   7 MET C  1   8 PHE N   81.70 -162.10  156.31   82.84 -175.39    .  .  0 "[    .    1    .    2]" 
         3 PHI 1   7 MET C 1   8 PHE N  1   8 PHE CA 1   8 PHE C -155.50 -113.10 -138.08 -155.56 -114.35 0.06  4  0 "[    .    1    .    2]" 
         4 PSI 1   8 PHE N 1   8 PHE CA 1   8 PHE C  1   9 SER N  136.00  166.50  154.55  165.69  164.16 0.06  8  0 "[    .    1    .    2]" 
         5 PHI 1  11 PRO C 1  12 ASP N  1  12 ASP CA 1  12 ASP C -121.40  -62.00 -105.55 -121.55  -61.93 0.15  4  0 "[    .    1    .    2]" 
         6 PSI 1  12 ASP N 1  12 ASP CA 1  12 ASP C  1  13 ARG N  -22.90   25.00   18.30  -22.98  -23.09 0.31  4  0 "[    .    1    .    2]" 
         7 PHI 1  15 PRO C 1  16 GLU N  1  16 GLU CA 1  16 GLU C -144.30  -49.50  -52.32  -59.02  -50.25    .  .  0 "[    .    1    .    2]" 
         8 PSI 1  16 GLU N 1  16 GLU CA 1  16 GLU C  1  17 GLN N   96.00  156.60  157.03  156.25  157.51 0.91  3  0 "[    .    1    .    2]" 
         9 PHI 1  16 GLU C 1  17 GLN N  1  17 GLN CA 1  17 GLN C -140.90  -74.10  -74.79  -77.82  -81.29 0.89  4  0 "[    .    1    .    2]" 
        10 PSI 1  17 GLN N 1  17 GLN CA 1  17 GLN C  1  18 ILE N   88.70 -168.70  149.19  132.93  160.12    .  .  0 "[    .    1    .    2]" 
        11 PHI 1  17 GLN C 1  18 ILE N  1  18 ILE CA 1  18 ILE C -141.80 -118.00 -132.25 -141.83 -141.89 0.10  1  0 "[    .    1    .    2]" 
        12 PSI 1  18 ILE N 1  18 ILE CA 1  18 ILE C  1  19 ARG N  117.10  176.80  176.55  176.76  176.74 0.47  9  0 "[    .    1    .    2]" 
        13 PHI 1  18 ILE C 1  19 ARG N  1  19 ARG CA 1  19 ARG C -146.80  -71.40 -119.97 -130.48 -112.18    .  .  0 "[    .    1    .    2]" 
        14 PSI 1  19 ARG N 1  19 ARG CA 1  19 ARG C  1  20 ILE N   96.70  165.40  136.71  127.59  151.78    .  .  0 "[    .    1    .    2]" 
        15 PHI 1  19 ARG C 1  20 ILE N  1  20 ILE CA 1  20 ILE C -160.20 -114.50 -117.82 -114.69 -115.97 0.28 11  0 "[    .    1    .    2]" 
        16 PSI 1  20 ILE N 1  20 ILE CA 1  20 ILE C  1  21 PHE N  145.60 -171.70  169.12  157.73  175.09    .  .  0 "[    .    1    .    2]" 
        17 PHI 1  20 ILE C 1  21 PHE N  1  21 PHE CA 1  21 PHE C -174.90  -93.90 -121.55 -125.90 -127.46    .  .  0 "[    .    1    .    2]" 
        18 PSI 1  21 PHE N 1  21 PHE CA 1  21 PHE C  1  22 PHE N  126.70  176.20  129.96  125.17  138.93 1.53  9  0 "[    .    1    .    2]" 
        19 PHI 1  21 PHE C 1  22 PHE N  1  22 PHE CA 1  22 PHE C -172.70  -90.20 -101.40 -100.35 -102.94    .  .  0 "[    .    1    .    2]" 
        20 PSI 1  22 PHE N 1  22 PHE CA 1  22 PHE C  1  23 LYS N  103.30  148.50  103.90  101.87  109.00 1.43 11  0 "[    .    1    .    2]" 
        21 PHI 1  22 PHE C 1  23 LYS N  1  23 LYS CA 1  23 LYS C -142.70  -71.10  -92.71  -96.51  -97.25    .  .  0 "[    .    1    .    2]" 
        22 PSI 1  23 LYS N 1  23 LYS CA 1  23 LYS C  1  24 THR N   99.90  144.20  128.04  134.56  132.15 0.28  7  0 "[    .    1    .    2]" 
        23 PHI 1  23 LYS C 1  24 THR N  1  24 THR CA 1  24 THR C -140.70  -58.70 -119.94 -140.48 -101.90    .  .  0 "[    .    1    .    2]" 
        24 PSI 1  24 THR N 1  24 THR CA 1  24 THR C  1  25 MET N  141.50 -156.90 -179.41  171.20 -157.22    .  .  0 "[    .    1    .    2]" 
        25 PHI 1  24 THR C 1  25 MET N  1  25 MET CA 1  25 MET C  -75.60  -52.40  -73.26  -75.36  -75.64 1.88  7  0 "[    .    1    .    2]" 
        26 PSI 1  25 MET N 1  25 MET CA 1  25 MET C  1  26 LYS N  -50.20   -8.20  -13.48  -11.67  -17.14 4.65 16  0 "[    .    1    .    2]" 
        27 PHI 1  25 MET C 1  26 LYS N  1  26 LYS CA 1  26 LYS C -136.10  -65.40 -107.48 -141.03  -93.98 4.93 16  0 "[    .    1    .    2]" 
        28 PSI 1  26 LYS N 1  26 LYS CA 1  26 LYS C  1  27 GLN N  -37.30   27.50  -35.20  -39.11   27.68 1.81 14  0 "[    .    1    .    2]" 
        29 PHI 1  26 LYS C 1  27 GLN N  1  27 GLN CA 1  27 GLN C  163.50  -56.90 -175.81  176.31  -90.12    .  .  0 "[    .    1    .    2]" 
        30 PSI 1  27 GLN N 1  27 GLN CA 1  27 GLN C  1  28 VAL N  111.00  176.10  172.93  128.45  176.53 0.43 19  0 "[    .    1    .    2]" 
        31 PHI 1  27 GLN C 1  28 VAL N  1  28 VAL CA 1  28 VAL C -132.20  -70.90 -107.94 -122.90  -79.10    .  .  0 "[    .    1    .    2]" 
        32 PSI 1  28 VAL N 1  28 VAL CA 1  28 VAL C  1  29 VAL N  103.30  147.80  132.17  109.86  148.14 0.34 12  0 "[    .    1    .    2]" 
        33 PHI 1  28 VAL C 1  29 VAL N  1  29 VAL CA 1  29 VAL C -158.30  -65.30 -125.93 -119.84 -121.62    .  .  0 "[    .    1    .    2]" 
        34 PSI 1  29 VAL N 1  29 VAL CA 1  29 VAL C  1  30 PRO N   89.70  150.00  141.43  151.01  150.90 1.91  4  0 "[    .    1    .    2]" 
        35 PHI 1  30 PRO C 1  31 ALA N  1  31 ALA CA 1  31 ALA C -165.00  -83.00 -146.71 -163.63 -121.21    .  .  0 "[    .    1    .    2]" 
        36 PSI 1  31 ALA N 1  31 ALA CA 1  31 ALA C  1  32 LYS N  104.40 -173.80  125.21  103.74  159.93 0.66 17  0 "[    .    1    .    2]" 
        37 PHI 1  31 ALA C 1  32 LYS N  1  32 LYS CA 1  32 LYS C -135.70  -65.60  -87.18  -81.88  -96.78    .  .  0 "[    .    1    .    2]" 
        38 PSI 1  32 LYS N 1  32 LYS CA 1  32 LYS C  1  33 ALA N  102.00  149.50  131.80  130.67  128.90    .  .  0 "[    .    1    .    2]" 
        39 PHI 1  32 LYS C 1  33 ALA N  1  33 ALA CA 1  33 ALA C -152.00  -91.20 -110.15 -130.68  -95.11    .  .  0 "[    .    1    .    2]" 
        40 PSI 1  33 ALA N 1  33 ALA CA 1  33 ALA C  1  34 VAL N  116.60  164.10  122.76  116.52  116.47 0.26  1  0 "[    .    1    .    2]" 
        41 PHI 1  33 ALA C 1  34 VAL N  1  34 VAL CA 1  34 VAL C -106.90  -73.20  -98.91 -103.36 -104.61 0.18  8  0 "[    .    1    .    2]" 
        42 PSI 1  34 VAL N 1  34 VAL CA 1  34 VAL C  1  35 CYS N   97.20  168.90  148.62  146.51  144.38    .  .  0 "[    .    1    .    2]" 
        43 PHI 1  35 CYS C 1  36 GLY N  1  36 GLY CA 1  36 GLY C   63.30  106.30   96.20   74.15  106.83 0.53 17  0 "[    .    1    .    2]" 
        44 PSI 1  36 GLY N 1  36 GLY CA 1  36 GLY C  1  37 SER N  -32.30   25.30   10.57    0.64   -4.55 0.01  4  0 "[    .    1    .    2]" 
        45 PHI 1  40 LEU C 1  41 ASP N  1  41 ASP CA 1  41 ASP C  -72.20  -52.20  -72.66  -73.06  -72.25 0.86 15  0 "[    .    1    .    2]" 
        46 PSI 1  41 ASP N 1  41 ASP CA 1  41 ASP C  1  42 VAL N  -52.00  -32.00  -27.10  -27.99  -26.49 5.51 19  9 "[* * . -***    .*  +*]" 
        47 PHI 1  41 ASP C 1  42 VAL N  1  42 VAL CA 1  42 VAL C  -76.00  -53.70  -76.66  -77.55  -75.23 1.55 13  0 "[    .    1    .    2]" 
        48 PSI 1  42 VAL N 1  42 VAL CA 1  42 VAL C  1  43 ALA N  -53.00  -24.60  -42.99  -45.85  -47.13    .  .  0 "[    .    1    .    2]" 
        49 PHI 1  42 VAL C 1  43 ALA N  1  43 ALA CA 1  43 ALA C  -75.50  -50.50  -53.43  -51.64  -51.77    .  .  0 "[    .    1    .    2]" 
        50 PSI 1  43 ALA N 1  43 ALA CA 1  43 ALA C  1  44 HIS N  -54.50  -28.40  -29.76  -34.09  -25.88 2.52 18  0 "[    .    1    .    2]" 
        51 PHI 1  43 ALA C 1  44 HIS N  1  44 HIS CA 1  44 HIS C  -73.50  -53.50  -71.82  -74.13  -66.96 0.63 10  0 "[    .    1    .    2]" 
        52 PSI 1  44 HIS N 1  44 HIS CA 1  44 HIS C  1  45 LYS N  -52.80  -21.10  -33.20  -38.93  -24.84    .  .  0 "[    .    1    .    2]" 
        53 PHI 1  44 HIS C 1  45 LYS N  1  45 LYS CA 1  45 LYS C  -90.20  -50.90  -76.15  -72.16  -74.56 0.85 18  0 "[    .    1    .    2]" 
        54 PSI 1  45 LYS N 1  45 LYS CA 1  45 LYS C  1  46 ASN N  -54.70   -8.60  -45.98  -54.20  -34.80    .  .  0 "[    .    1    .    2]" 
        55 PHI 1  45 LYS C 1  46 ASN N  1  46 ASN CA 1  46 ASN C -117.20  -72.10  -73.37  -72.21  -72.26 0.21  5  0 "[    .    1    .    2]" 
        56 PSI 1  46 ASN N 1  46 ASN CA 1  46 ASN C  1  47 GLY N  -33.90   23.50  -23.78  -25.73  -26.60    .  .  0 "[    .    1    .    2]" 
        57 PHI 1  46 ASN C 1  47 GLY N  1  47 GLY CA 1  47 GLY C   58.70  109.10  100.00   64.52  109.14 0.04  1  0 "[    .    1    .    2]" 
        58 PSI 1  47 GLY N 1  47 GLY CA 1  47 GLY C  1  48 VAL N  -12.20   42.10   -7.58  -12.42   15.82 0.22 10  0 "[    .    1    .    2]" 
        59 PHI 1  47 GLY C 1  48 VAL N  1  48 VAL CA 1  48 VAL C -111.30  -49.90  -54.68  -53.66  -55.86    .  .  0 "[    .    1    .    2]" 
        60 PSI 1  48 VAL N 1  48 VAL CA 1  48 VAL C  1  49 ASP N   98.90  156.30  132.85  129.72  127.62 0.17 13  0 "[    .    1    .    2]" 
        61 PHI 1  48 VAL C 1  49 ASP N  1  49 ASP CA 1  49 ASP C -132.00  -62.70  -80.65  -77.30  -78.79    .  .  0 "[    .    1    .    2]" 
        62 PSI 1  49 ASP N 1  49 ASP CA 1  49 ASP C  1  50 LEU N   80.80  171.20   81.07   80.02   83.93 0.78 13  0 "[    .    1    .    2]" 
        63 PHI 1  49 ASP C 1  50 LEU N  1  50 LEU CA 1  50 LEU C -162.10  -76.10 -112.06 -159.95  -76.08 0.02 12  0 "[    .    1    .    2]" 
        64 PSI 1  50 LEU N 1  50 LEU CA 1  50 LEU C  1  51 GLU N  104.90  147.50  121.55  105.13  146.81    .  .  0 "[    .    1    .    2]" 
        65 PHI 1  50 LEU C 1  51 GLU N  1  51 GLU CA 1  51 GLU C -135.60  -21.20  -73.60 -135.17  -51.93    .  .  0 "[    .    1    .    2]" 
        66 PSI 1  51 GLU N 1  51 GLU CA 1  51 GLU C  1  52 GLY N  111.80  152.50  130.79  112.10  152.06    .  .  0 "[    .    1    .    2]" 
        67 PHI 1  64 HIS C 1  65 VAL N  1  65 VAL CA 1  65 VAL C -149.80 -129.80 -128.56 -129.54 -127.94 1.86 15  0 "[    .    1    .    2]" 
        68 PSI 1  65 VAL N 1  65 VAL CA 1  65 VAL C  1  66 ILE N  130.50  178.80  157.02  149.76  164.83    .  .  0 "[    .    1    .    2]" 
        69 PHI 1  65 VAL C 1  66 ILE N  1  66 ILE CA 1  66 ILE C -164.60  -92.50  -90.13  -91.20  -88.84 3.66  7  0 "[    .    1    .    2]" 
        70 PSI 1  66 ILE N 1  66 ILE CA 1  66 ILE C  1  67 LEU N   97.00  176.80  132.65  129.44  137.72    .  .  0 "[    .    1    .    2]" 
        71 PHI 1  66 ILE C 1  67 LEU N  1  67 LEU CA 1  67 LEU C -135.00  -36.30 -125.87 -129.45 -119.29    .  .  0 "[    .    1    .    2]" 
        72 PSI 1  67 LEU N 1  67 LEU CA 1  67 LEU C  1  68 GLU N  118.50  166.50  160.67  153.93  166.40    .  .  0 "[    .    1    .    2]" 
        73 PHI 1  67 LEU C 1  68 GLU N  1  68 GLU CA 1  68 GLU C -146.00  -39.90  -43.70  -47.52  -36.80 3.10 20  0 "[    .    1    .    2]" 
        74 PSI 1  68 GLU N 1  68 GLU CA 1  68 GLU C  1  69 GLU N  121.90 -176.80  142.07  143.99  143.96    .  .  0 "[    .    1    .    2]" 
        75 PHI 1  68 GLU C 1  69 GLU N  1  69 GLU CA 1  69 GLU C  -71.50  -37.90  -59.07  -65.26  -54.86    .  .  0 "[    .    1    .    2]" 
        76 PSI 1  69 GLU N 1  69 GLU CA 1  69 GLU C  1  70 PRO N  -63.50  -25.00  -59.21  -60.46  -55.81    .  .  0 "[    .    1    .    2]" 
        77 PHI 1  70 PRO C 1  71 LEU N  1  71 LEU CA 1  71 LEU C  -83.40  -48.10  -53.09  -63.01  -51.47    .  .  0 "[    .    1    .    2]" 
        78 PSI 1  71 LEU N 1  71 LEU CA 1  71 LEU C  1  72 TYR N  -52.40  -21.00  -46.50  -45.31  -45.69    .  .  0 "[    .    1    .    2]" 
        79 PHI 1  71 LEU C 1  72 TYR N  1  72 TYR CA 1  72 TYR C  -78.10  -49.10  -68.88  -70.88  -71.44    .  .  0 "[    .    1    .    2]" 
        80 PSI 1  72 TYR N 1  72 TYR CA 1  72 TYR C  1  73 ARG N  -54.20  -28.10  -49.90  -54.11  -41.01    .  .  0 "[    .    1    .    2]" 
        81 PHI 1  72 TYR C 1  73 ARG N  1  73 ARG CA 1  73 ARG C  -81.40  -47.00  -53.97  -58.18  -51.52    .  .  0 "[    .    1    .    2]" 
        82 PSI 1  73 ARG N 1  73 ARG CA 1  73 ARG C  1  74 LYS N  -66.10  -10.40  -40.18  -43.98  -47.96    .  .  0 "[    .    1    .    2]" 
        83 PHI 1  73 ARG C 1  74 LYS N  1  74 LYS CA 1  74 LYS C  -78.00  -52.60  -73.91  -71.36  -72.15 0.29  4  0 "[    .    1    .    2]" 
        84 PSI 1  74 LYS N 1  74 LYS CA 1  74 LYS C  1  75 LEU N  -55.40  -21.80  -41.87  -54.66  -26.82    .  .  0 "[    .    1    .    2]" 
        85 PHI 1  74 LYS C 1  75 LEU N  1  75 LEU CA 1  75 LEU C -118.50  -63.40  -63.99  -72.83  -62.15 1.25 17  0 "[    .    1    .    2]" 
        86 PSI 1  75 LEU N 1  75 LEU CA 1  75 LEU C  1  76 GLY N  -62.40   23.80  -36.15  -24.43  -25.00 0.16  6  0 "[    .    1    .    2]" 
        87 PHI 1  76 GLY C 1  77 GLU N  1  77 GLU CA 1  77 GLU C -137.50  -65.50 -122.58 -134.67  -91.91    .  .  0 "[    .    1    .    2]" 
        88 PSI 1  77 GLU N 1  77 GLU CA 1  77 GLU C  1  78 PRO N   65.80 -170.30  157.91  157.27  156.84    .  .  0 "[    .    1    .    2]" 
        89 PHI 1  78 PRO C 1  79 SER N  1  79 SER CA 1  79 SER C -134.00  -58.20  -86.06 -120.94  -57.95 0.25 20  0 "[    .    1    .    2]" 
        90 PSI 1  79 SER N 1  79 SER CA 1  79 SER C  1  80 ASP N  102.60 -159.60  179.88  157.34 -169.66    .  .  0 "[    .    1    .    2]" 
        91 PHI 1  79 SER C 1  80 ASP N  1  80 ASP CA 1  80 ASP C  -76.00  -36.70  -56.83  -59.97  -51.73    .  .  0 "[    .    1    .    2]" 
        92 PSI 1  80 ASP N 1  80 ASP CA 1  80 ASP C  1  81 LYS N  -52.50  -25.80  -42.98  -45.23  -46.40    .  .  0 "[    .    1    .    2]" 
        93 PHI 1  80 ASP C 1  81 LYS N  1  81 LYS CA 1  81 LYS C  -75.30  -54.00  -53.29  -53.58  -53.74 1.70 19  0 "[    .    1    .    2]" 
        94 PSI 1  81 LYS N 1  81 LYS CA 1  81 LYS C  1  82 GLU N  -59.50  -17.80  -60.09  -59.71  -59.74 3.42 10  0 "[    .    1    .    2]" 
        95 PHI 1  81 LYS C 1  82 GLU N  1  82 GLU CA 1  82 GLU C  -74.60  -54.00  -64.32  -70.83  -61.11    .  .  0 "[    .    1    .    2]" 
        96 PSI 1  82 GLU N 1  82 GLU CA 1  82 GLU C  1  83 TYR N  -51.90  -27.60  -30.95  -28.43  -28.55    .  .  0 "[    .    1    .    2]" 
        97 PHI 1  82 GLU C 1  83 TYR N  1  83 TYR CA 1  83 TYR C  -75.80  -53.70  -60.12  -61.76  -61.92    .  .  0 "[    .    1    .    2]" 
        98 PSI 1  83 TYR N 1  83 TYR CA 1  83 TYR C  1  84 ASP N  -58.30  -30.50  -54.50  -54.00  -55.16    .  .  0 "[    .    1    .    2]" 
        99 PHI 1  83 TYR C 1  84 ASP N  1  84 ASP CA 1  84 ASP C  -71.50  -51.50  -67.11  -70.94  -62.15    .  .  0 "[    .    1    .    2]" 
       100 PSI 1  84 ASP N 1  84 ASP CA 1  84 ASP C  1  85 LEU N  -50.90  -30.90  -41.05  -43.59  -37.14    .  .  0 "[    .    1    .    2]" 
       101 PHI 1  84 ASP C 1  85 LEU N  1  85 LEU CA 1  85 LEU C  -74.00  -54.00  -56.07  -56.45  -56.93 0.34 15  0 "[    .    1    .    2]" 
       102 PSI 1  85 LEU N 1  85 LEU CA 1  85 LEU C  1  86 ILE N  -55.60  -29.20  -45.88  -51.38  -51.93    .  .  0 "[    .    1    .    2]" 
       103 PHI 1  85 LEU C 1  86 ILE N  1  86 ILE CA 1  86 ILE C  -74.40  -54.40  -74.36  -74.96  -74.97 0.66 14  0 "[    .    1    .    2]" 
       104 PSI 1  86 ILE N 1  86 ILE CA 1  86 ILE C  1  87 ASP N  -55.30  -35.10  -40.56  -34.30  -34.38 0.88 13  0 "[    .    1    .    2]" 
       105 PHI 1  86 ILE C 1  87 ASP N  1  87 ASP CA 1  87 ASP C  -86.90  -53.40  -60.30  -64.53  -56.18    .  .  0 "[    .    1    .    2]" 
       106 PSI 1  87 ASP N 1  87 ASP CA 1  87 ASP C  1  88 GLN N  -54.40   -5.40  -19.99  -21.08  -21.43    .  .  0 "[    .    1    .    2]" 
       107 PHI 1  87 ASP C 1  88 GLN N  1  88 GLN CA 1  88 GLN C -110.60  -76.30  -76.35  -75.89  -75.94 0.97 14  0 "[    .    1    .    2]" 
       108 PSI 1  88 GLN N 1  88 GLN CA 1  88 GLN C  1  89 ALA N  -36.40   35.50  -23.94  -32.49   -6.05    .  .  0 "[    .    1    .    2]" 
       109 PHI 1  88 GLN C 1  89 ALA N  1  89 ALA CA 1  89 ALA C -151.60  -39.30  -80.16 -105.59  -61.78    .  .  0 "[    .    1    .    2]" 
       110 PSI 1  89 ALA N 1  89 ALA CA 1  89 ALA C  1  90 PHE N  110.10  164.30  151.77  131.09  164.37 0.07  7  0 "[    .    1    .    2]" 
       111 PHI 1  89 ALA C 1  90 PHE N  1  90 PHE CA 1  90 PHE C  -89.90  -37.50  -70.30  -78.65  -80.85    .  .  0 "[    .    1    .    2]" 
       112 PSI 1  90 PHE N 1  90 PHE CA 1  90 PHE C  1  91 GLY N  108.50  164.00  120.93  118.99  117.34    .  .  0 "[    .    1    .    2]" 
       113 PHI 1  94 GLY C 1  95 THR N  1  95 THR CA 1  95 THR C -137.20  -82.90  -73.92  -74.22  -73.42 9.48  7 20  [**-***+*************]  
       114 PSI 1  95 THR N 1  95 THR CA 1  95 THR C  1  96 SER N  -41.20   47.90   -1.82   -1.81   -1.84    .  .  0 "[    .    1    .    2]" 
       115 PHI 1  95 THR C 1  96 SER N  1  96 SER CA 1  96 SER C  -98.30  -59.90  -89.31  -91.35  -85.44    .  .  0 "[    .    1    .    2]" 
       116 PSI 1  96 SER N 1  96 SER CA 1  96 SER C  1  97 ARG N  -61.30    7.20  -13.52  -16.52  -11.87    .  .  0 "[    .    1    .    2]" 
       117 PHI 1  96 SER C 1  97 ARG N  1  97 ARG CA 1  97 ARG C -160.40  -92.80 -116.88 -144.05  -91.96 0.84  4  0 "[    .    1    .    2]" 
       118 PSI 1  97 ARG N 1  97 ARG CA 1  97 ARG C  1  98 LEU N  128.50  168.20  150.94  154.51  148.62 0.68  4  0 "[    .    1    .    2]" 
       119 PHI 1 102 LEU C 1 103 ARG N  1 103 ARG CA 1 103 ARG C -152.30  -58.10 -120.06  -85.33 -103.66 0.09  4  0 "[    .    1    .    2]" 
       120 PSI 1 103 ARG N 1 103 ARG CA 1 103 ARG C  1 104 VAL N   85.30  170.40  152.24  126.54  170.61 0.21  6  0 "[    .    1    .    2]" 
       121 PHI 1 103 ARG C 1 104 VAL N  1 104 VAL CA 1 104 VAL C -109.90  -59.80  -92.95 -109.88  -59.76 0.04 14  0 "[    .    1    .    2]" 
       122 PSI 1 104 VAL N 1 104 VAL CA 1 104 VAL C  1 105 ASP N  113.50  154.10  125.23  127.23  124.97    .  .  0 "[    .    1    .    2]" 
       123 PHI 1 104 VAL C 1 105 ASP N  1 105 ASP CA 1 105 ASP C -136.60  -59.60 -136.18 -136.83 -136.93 0.47 14  0 "[    .    1    .    2]" 
       124 PSI 1 105 ASP N 1 105 ASP CA 1 105 ASP C  1 106 LYS N   96.60 -138.10  170.69  155.92 -176.78    .  .  0 "[    .    1    .    2]" 
       125 PHI 1 105 ASP C 1 106 LYS N  1 106 LYS CA 1 106 LYS C  -71.20  -51.20  -57.51  -59.84  -60.63    .  .  0 "[    .    1    .    2]" 
       126 PSI 1 106 LYS N 1 106 LYS CA 1 106 LYS C  1 107 SER N  -52.30   -5.20  -34.74  -42.01  -22.05    .  .  0 "[    .    1    .    2]" 
       127 PHI 1 106 LYS C 1 107 SER N  1 107 SER CA 1 107 SER C  -84.90  -51.80  -64.07  -64.49  -64.85    .  .  0 "[    .    1    .    2]" 
       128 PSI 1 107 SER N 1 107 SER CA 1 107 SER C  1 108 PHE N  -59.90    6.20  -22.11  -29.46  -17.09    .  .  0 "[    .    1    .    2]" 
       129 PHI 1 107 SER C 1 108 PHE N  1 108 PHE CA 1 108 PHE C -134.40  -41.90  -86.28  -93.34  -75.98    .  .  0 "[    .    1    .    2]" 
       130 PSI 1 108 PHE N 1 108 PHE CA 1 108 PHE C  1 109 GLU N  -78.80   49.60    5.35    6.59    5.69    .  .  0 "[    .    1    .    2]" 
       131 PHI 1 112 VAL C 1 113 PHE N  1 113 PHE CA 1 113 PHE C -153.20  -72.30 -112.58 -111.98 -112.26    .  .  0 "[    .    1    .    2]" 
       132 PSI 1 113 PHE N 1 113 PHE CA 1 113 PHE C  1 114 THR N   95.00  145.10  104.28   94.72  132.61 0.28 10  0 "[    .    1    .    2]" 
       133 PHI 1 113 PHE C 1 114 THR N  1 114 THR CA 1 114 THR C -140.90  -63.10  -92.49 -104.72  -85.21    .  .  0 "[    .    1    .    2]" 
       134 PSI 1 114 THR N 1 114 THR CA 1 114 THR C  1 115 VAL N  106.40  130.80  125.92  119.22  118.72 1.03 16  0 "[    .    1    .    2]" 
       135 PHI 1 114 THR C 1 115 VAL N  1 115 VAL CA 1 115 VAL C -155.40  -65.60 -102.32 -116.89  -85.01    .  .  0 "[    .    1    .    2]" 
       136 PSI 1 115 VAL N 1 115 VAL CA 1 115 VAL C  1 116 PRO N   77.80  162.50  116.04   88.25  133.45    .  .  0 "[    .    1    .    2]" 
       137 PHI 1 116 PRO C 1 117 ARG N  1 117 ARG CA 1 117 ARG C -162.50  -60.80  -97.44 -143.29  -62.18    .  .  0 "[    .    1    .    2]" 
       138 PSI 1 117 ARG N 1 117 ARG CA 1 117 ARG C  1 118 ALA N  103.30  169.10  136.39  103.53  167.69    .  .  0 "[    .    1    .    2]" 
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