NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
457625 2rqq cing 4-filtered-FRED Wattos check violation dihedral angle


data_2rqq


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              159
    _TA_constraint_stats_list.Viol_count                    587
    _TA_constraint_stats_list.Viol_total                    6387.11
    _TA_constraint_stats_list.Viol_max                      4.86
    _TA_constraint_stats_list.Viol_rms                      0.34
    _TA_constraint_stats_list.Viol_average_all_restraints   0.10
    _TA_constraint_stats_list.Viol_average_violations_only  0.54
    _TA_constraint_stats_list.Cutoff_violation_report       5.00
    _TA_constraint_stats_list.Details                       
;
Description of the tags in this list:
*  1 * Administrative tag
*  2 * ID of the restraint list.                                                                 
*  3 * Number of restraints in list.                                                             
*  4 * Number of violated restraints (each model violation is used).                             
*  5 * Sum of violations in degrees.                                                             
*  6 * Maximum violation of a restraint without averaging in any way.                            
*  7 * Rms of violations over all restraints.                                                    
*  8 *  Average violation over all restraints.                                                   
*  9 *  Average violation over violated restraints.                                              
            This violation is averaged over only those models in which the restraint is violated.
            Threshold for reporting violations (degrees) in the last columns of the next table.     
*  10 * This tag.                                                                                

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

;


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

         1 PHI 1  10 PRO C 1  11 GLU N  1  11 GLU CA 1  11 GLU C  -88.68  -48.68  -68.33  -75.26  -80.30 0.18  1 0 "[    .    1    .    2]" 
         2 PSI 1  11 GLU N 1  11 GLU CA 1  11 GLU C  1  12 GLN N  -60.57  -20.57  -24.28  -35.79  -19.99 0.58  1 0 "[    .    1    .    2]" 
         3 PHI 1  11 GLU C 1  12 GLN N  1  12 GLN CA 1  12 GLN C  -83.90  -43.90  -63.73  -58.24  -58.76    .  . 0 "[    .    1    .    2]" 
         4 PSI 1  12 GLN N 1  12 GLN CA 1  12 GLN C  1  13 GLU N  -62.51  -22.51  -31.56  -40.39  -25.93    .  . 0 "[    .    1    .    2]" 
         5 PHI 1  12 GLN C 1  13 GLU N  1  13 GLU CA 1  13 GLU C  -85.93  -45.93  -83.67  -86.82  -75.61 0.89  9 0 "[    .    1    .    2]" 
         6 PSI 1  13 GLU N 1  13 GLU CA 1  13 GLU C  1  14 LEU N  -61.78  -21.78  -44.38  -42.97  -43.55    .  . 0 "[    .    1    .    2]" 
         7 PHI 1  13 GLU C 1  14 LEU N  1  14 LEU CA 1  14 LEU C  -84.34  -44.34  -56.42  -58.04  -59.00    .  . 0 "[    .    1    .    2]" 
         8 PSI 1  14 LEU N 1  14 LEU CA 1  14 LEU C  1  15 ARG N  -57.67  -17.67  -22.69  -28.97  -17.44 0.23  6 0 "[    .    1    .    2]" 
         9 PHI 1  14 LEU C 1  15 ARG N  1  15 ARG CA 1  15 ARG C  -83.53  -43.53  -78.78  -76.70  -76.98 0.24 20 0 "[    .    1    .    2]" 
        10 PSI 1  15 ARG N 1  15 ARG CA 1  15 ARG C  1  16 LEU N  -60.41  -20.41  -42.68  -45.30  -46.18    .  . 0 "[    .    1    .    2]" 
        11 PHI 1  15 ARG C 1  16 LEU N  1  16 LEU CA 1  16 LEU C  -82.61  -42.61  -82.67  -83.49  -78.24 0.88  7 0 "[    .    1    .    2]" 
        12 PSI 1  16 LEU N 1  16 LEU CA 1  16 LEU C  1  17 GLN N  -62.54  -22.54  -31.10  -28.74  -29.21    .  . 0 "[    .    1    .    2]" 
        13 PHI 1  16 LEU C 1  17 GLN N  1  17 GLN CA 1  17 GLN C  -82.35  -42.35  -60.32  -57.45  -57.61    .  . 0 "[    .    1    .    2]" 
        14 PSI 1  17 GLN N 1  17 GLN CA 1  17 GLN C  1  18 ARG N  -64.89  -24.89  -50.66  -56.18  -34.69    .  . 0 "[    .    1    .    2]" 
        15 PHI 1  17 GLN C 1  18 ARG N  1  18 ARG CA 1  18 ARG C  -83.90  -43.90  -56.96  -66.30  -50.63    .  . 0 "[    .    1    .    2]" 
        16 PSI 1  18 ARG N 1  18 ARG CA 1  18 ARG C  1  19 LEU N  -56.77  -16.77  -37.36  -39.68  -41.58    .  . 0 "[    .    1    .    2]" 
        17 PHI 1  18 ARG C 1  19 LEU N  1  19 LEU CA 1  19 LEU C  -87.46  -47.46  -63.09  -62.14  -62.98    .  . 0 "[    .    1    .    2]" 
        18 PSI 1  19 LEU N 1  19 LEU CA 1  19 LEU C  1  20 GLU N  -59.68  -19.68  -35.01  -34.16  -34.64    .  . 0 "[    .    1    .    2]" 
        19 PHI 1  19 LEU C 1  20 GLU N  1  20 GLU CA 1  20 GLU C  -85.29  -45.29  -86.08  -89.57  -85.39 4.28  2 0 "[    .    1    .    2]" 
        20 PSI 1  20 GLU N 1  20 GLU CA 1  20 GLU C  1  21 ARG N  -46.29   -6.29  -28.59  -35.07  -16.76    .  . 0 "[    .    1    .    2]" 
        21 PHI 1  20 GLU C 1  21 ARG N  1  21 ARG CA 1  21 ARG C  -91.15  -51.15  -72.72  -71.93  -72.90    .  . 0 "[    .    1    .    2]" 
        22 PSI 1  21 ARG N 1  21 ARG CA 1  21 ARG C  1  22 LEU N  -55.89   -9.29  -48.17  -52.75  -41.84    .  . 0 "[    .    1    .    2]" 
        23 PHI 1  21 ARG C 1  22 LEU N  1  22 LEU CA 1  22 LEU C  -83.00  -43.00  -46.96  -51.17  -42.98 0.02 15 0 "[    .    1    .    2]" 
        24 PSI 1  22 LEU N 1  22 LEU CA 1  22 LEU C  1  23 PRO N  -58.75  -18.75  -53.38  -52.79  -53.87    .  . 0 "[    .    1    .    2]" 
        25 PSI 1  23 PRO N 1  23 PRO CA 1  23 PRO C  1  24 GLU N  -55.82  -15.82  -39.56  -39.28  -39.64    .  . 0 "[    .    1    .    2]" 
        26 PHI 1  23 PRO C 1  24 GLU N  1  24 GLU CA 1  24 GLU C  -86.64  -46.64  -61.24  -59.03  -59.20    .  . 0 "[    .    1    .    2]" 
        27 PSI 1  24 GLU N 1  24 GLU CA 1  24 GLU C  1  25 LEU N  -58.54  -18.54  -54.50  -56.81  -57.16    .  . 0 "[    .    1    .    2]" 
        28 PHI 1  24 GLU C 1  25 LEU N  1  25 LEU CA 1  25 LEU C  -82.07  -42.07  -54.72  -55.27  -55.64    .  . 0 "[    .    1    .    2]" 
        29 PSI 1  25 LEU N 1  25 LEU CA 1  25 LEU C  1  26 ALA N  -59.69  -19.69  -32.58  -31.96  -32.40    .  . 0 "[    .    1    .    2]" 
        30 PHI 1  26 ALA C 1  27 ARG N  1  27 ARG CA 1  27 ARG C  -85.47  -45.47  -81.67  -85.62  -85.63 0.64 14 0 "[    .    1    .    2]" 
        31 PSI 1  27 ARG N 1  27 ARG CA 1  27 ARG C  1  28 VAL N  -62.49  -22.49  -31.12  -30.31  -31.20    .  . 0 "[    .    1    .    2]" 
        32 PHI 1  27 ARG C 1  28 VAL N  1  28 VAL CA 1  28 VAL C  -89.19  -49.19  -83.79  -89.55  -78.16 0.36 14 0 "[    .    1    .    2]" 
        33 PSI 1  28 VAL N 1  28 VAL CA 1  28 VAL C  1  29 LEU N  -58.67  -18.67  -24.59  -18.56  -20.94 0.11  2 0 "[    .    1    .    2]" 
        34 PHI 1  28 VAL C 1  29 LEU N  1  29 LEU CA 1  29 LEU C  -82.37  -42.37  -56.58  -59.49  -54.37    .  . 0 "[    .    1    .    2]" 
        35 PSI 1  29 LEU N 1  29 LEU CA 1  29 LEU C  1  30 ARG N  -55.70  -15.70  -38.71  -39.97  -40.52    .  . 0 "[    .    1    .    2]" 
        36 PHI 1  29 LEU C 1  30 ARG N  1  30 ARG CA 1  30 ARG C  -85.62  -45.62  -62.76  -70.99  -56.69    .  . 0 "[    .    1    .    2]" 
        37 PSI 1  30 ARG N 1  30 ARG CA 1  30 ARG C  1  31 ASN N  -60.74  -20.74  -39.64  -39.13  -39.81    .  . 0 "[    .    1    .    2]" 
        38 PHI 1  30 ARG C 1  31 ASN N  1  31 ASN CA 1  31 ASN C  -82.97  -42.97  -69.90  -69.84  -70.94    .  . 0 "[    .    1    .    2]" 
        39 PSI 1  31 ASN N 1  31 ASN CA 1  31 ASN C  1  32 VAL N  -60.77  -20.77  -35.46  -35.78  -36.06    .  . 0 "[    .    1    .    2]" 
        40 PHI 1  31 ASN C 1  32 VAL N  1  32 VAL CA 1  32 VAL C  -88.34  -48.34  -67.41  -65.62  -65.95    .  . 0 "[    .    1    .    2]" 
        41 PSI 1  32 VAL N 1  32 VAL CA 1  32 VAL C  1  33 PHE N  -61.08  -21.08  -42.29  -44.80  -36.18    .  . 0 "[    .    1    .    2]" 
        42 PHI 1  32 VAL C 1  33 PHE N  1  33 PHE CA 1  33 PHE C  -84.41  -44.41  -60.33  -68.32  -55.19    .  . 0 "[    .    1    .    2]" 
        43 PSI 1  33 PHE N 1  33 PHE CA 1  33 PHE C  1  34 VAL N  -59.24  -19.24  -48.68  -47.83  -50.69    .  . 0 "[    .    1    .    2]" 
        44 PHI 1  33 PHE C 1  34 VAL N  1  34 VAL CA 1  34 VAL C  -89.63  -49.63  -76.69  -79.41  -74.34    .  . 0 "[    .    1    .    2]" 
        45 PSI 1  34 VAL N 1  34 VAL CA 1  34 VAL C  1  35 SER N  -60.62  -20.62  -31.56  -36.05  -27.62    .  . 0 "[    .    1    .    2]" 
        46 PHI 1  34 VAL C 1  35 SER N  1  35 SER CA 1  35 SER C  -85.48  -45.48  -61.97  -58.18  -58.83    .  . 0 "[    .    1    .    2]" 
        47 PSI 1  35 SER N 1  35 SER CA 1  35 SER C  1  36 GLU N  -53.84  -13.84  -30.04  -32.97  -34.72    .  . 0 "[    .    1    .    2]" 
        48 PHI 1  35 SER C 1  36 GLU N  1  36 GLU CA 1  36 GLU C  -90.51  -50.51  -90.66  -91.39  -86.88 0.88 16 0 "[    .    1    .    2]" 
        49 PSI 1  36 GLU N 1  36 GLU CA 1  36 GLU C  1  37 ARG N  -45.51   -5.51  -16.88  -17.04  -19.10    .  . 0 "[    .    1    .    2]" 
        50 PHI 1  39 PRO C 1  40 ALA N  1  40 ALA CA 1  40 ALA C -141.32 -101.32 -140.28 -143.31 -123.55 1.99 19 0 "[    .    1    .    2]" 
        51 PSI 1  40 ALA N 1  40 ALA CA 1  40 ALA C  1  41 LEU N  125.01  165.01  133.53  124.17  143.32 0.84  6 0 "[    .    1    .    2]" 
        52 PHI 1  40 ALA C 1  41 LEU N  1  41 LEU CA 1  41 LEU C -152.33 -112.33 -120.03 -116.49 -118.15 0.13 17 0 "[    .    1    .    2]" 
        53 PSI 1  41 LEU N 1  41 LEU CA 1  41 LEU C  1  42 THR N  129.19  169.19  133.67  132.62  132.09 0.26  6 0 "[    .    1    .    2]" 
        54 PHI 1  41 LEU C 1  42 THR N  1  42 THR CA 1  42 THR C -112.62  -64.98  -81.08  -93.68  -74.44    .  . 0 "[    .    1    .    2]" 
        55 PSI 1  42 THR N 1  42 THR CA 1  42 THR C  1  43 MET N  123.66  173.82  155.94  149.54  160.05    .  . 0 "[    .    1    .    2]" 
        56 PHI 1  42 THR C 1  43 MET N  1  43 MET CA 1  43 MET C  -84.57  -44.57  -46.92  -45.00  -45.48 0.07 19 0 "[    .    1    .    2]" 
        57 PSI 1  43 MET N 1  43 MET CA 1  43 MET C  1  44 GLU N  -56.05  -16.05  -28.00  -27.37  -27.82    .  . 0 "[    .    1    .    2]" 
        58 PHI 1  43 MET C 1  44 GLU N  1  44 GLU CA 1  44 GLU C  -83.02  -43.02  -67.30  -65.25  -66.25    .  . 0 "[    .    1    .    2]" 
        59 PSI 1  44 GLU N 1  44 GLU CA 1  44 GLU C  1  45 VAL N  -61.55  -21.55  -43.83  -44.16  -44.86    .  . 0 "[    .    1    .    2]" 
        60 PHI 1  44 GLU C 1  45 VAL N  1  45 VAL CA 1  45 VAL C  -88.69  -48.69  -69.42  -75.62  -63.86    .  . 0 "[    .    1    .    2]" 
        61 PSI 1  45 VAL N 1  45 VAL CA 1  45 VAL C  1  46 VAL N  -60.80  -20.80  -53.37  -56.52  -51.24    .  . 0 "[    .    1    .    2]" 
        62 PHI 1  45 VAL C 1  46 VAL N  1  46 VAL CA 1  46 VAL C  -87.83  -47.83  -60.75  -60.74  -60.74    .  . 0 "[    .    1    .    2]" 
        63 PSI 1  46 VAL N 1  46 VAL CA 1  46 VAL C  1  47 CYS N  -60.85  -20.85  -42.00  -46.90  -38.75    .  . 0 "[    .    1    .    2]" 
        64 PHI 1  46 VAL C 1  47 CYS N  1  47 CYS CA 1  47 CYS C  -81.46  -41.46  -59.64  -66.87  -52.01    .  . 0 "[    .    1    .    2]" 
        65 PSI 1  47 CYS N 1  47 CYS CA 1  47 CYS C  1  48 ALA N  -59.83  -19.83  -28.00  -53.04  -19.54 0.29  3 0 "[    .    1    .    2]" 
        66 PHI 1  47 CYS C 1  48 ALA N  1  48 ALA CA 1  48 ALA C  -85.31  -45.31  -83.79  -85.94  -86.00 0.83 16 0 "[    .    1    .    2]" 
        67 PSI 1  48 ALA N 1  48 ALA CA 1  48 ALA C  1  49 ARG N  -59.46  -19.46  -49.34  -53.55  -53.97    .  . 0 "[    .    1    .    2]" 
        68 PHI 1  48 ALA C 1  49 ARG N  1  49 ARG CA 1  49 ARG C  -84.32  -44.32  -72.92  -66.01  -67.78    .  . 0 "[    .    1    .    2]" 
        69 PSI 1  49 ARG N 1  49 ARG CA 1  49 ARG C  1  50 MET N  -63.46  -23.46  -43.30  -42.20  -42.52    .  . 0 "[    .    1    .    2]" 
        70 PHI 1  49 ARG C 1  50 MET N  1  50 MET CA 1  50 MET C  -84.33  -44.33  -58.21  -58.18  -58.35    .  . 0 "[    .    1    .    2]" 
        71 PSI 1  50 MET N 1  50 MET CA 1  50 MET C  1  51 VAL N  -60.91  -20.91  -22.18  -20.51  -20.71 0.74 15 0 "[    .    1    .    2]" 
        72 PHI 1  50 MET C 1  51 VAL N  1  51 VAL CA 1  51 VAL C  -85.49  -45.49  -85.02  -83.62  -84.70 0.83 12 0 "[    .    1    .    2]" 
        73 PSI 1  51 VAL N 1  51 VAL CA 1  51 VAL C  1  52 ASP N  -60.54  -20.54  -51.55  -57.33  -41.64    .  . 0 "[    .    1    .    2]" 
        74 PHI 1  51 VAL C 1  52 ASP N  1  52 ASP CA 1  52 ASP C  -92.50  -52.50  -92.21  -93.09  -89.81 0.59 20 0 "[    .    1    .    2]" 
        75 PSI 1  52 ASP N 1  52 ASP CA 1  52 ASP C  1  53 SER N  -41.77   -1.77  -37.52  -39.71  -40.15 0.12 14 0 "[    .    1    .    2]" 
        76 PHI 1  55 GLN C 1  56 THR N  1  56 THR CA 1  56 THR C -105.45  -65.45 -106.22 -106.06 -106.15 0.99  3 0 "[    .    1    .    2]" 
        77 PSI 1  56 THR N 1  56 THR CA 1  56 THR C  1  57 ALA N  116.89  156.89  120.12  116.51  136.61 0.38  2 0 "[    .    1    .    2]" 
        78 PHI 1  57 ALA C 1  58 LEU N  1  58 LEU CA 1  58 LEU C -121.04  -81.04 -102.29 -121.57  -80.69 0.53  9 0 "[    .    1    .    2]" 
        79 PSI 1  58 LEU N 1  58 LEU CA 1  58 LEU C  1  59 SER N  122.75  162.75  153.51  153.32  152.33    .  . 0 "[    .    1    .    2]" 
        80 PHI 1  58 LEU C 1  59 SER N  1  59 SER CA 1  59 SER C  -99.15  -59.15  -69.43  -69.45  -70.33 0.04  6 0 "[    .    1    .    2]" 
        81 PSI 1  59 SER N 1  59 SER CA 1  59 SER C  1  60 PRO N  107.64  155.42  145.03  146.93  145.75    .  . 0 "[    .    1    .    2]" 
        82 PHI 1  60 PRO C 1  61 GLY N  1  61 GLY CA 1  61 GLY C  -86.58  -46.58  -72.45  -84.66  -65.24    .  . 0 "[    .    1    .    2]" 
        83 PSI 1  61 GLY N 1  61 GLY CA 1  61 GLY C  1  62 GLU N  -57.47  -17.47  -40.69  -50.70  -30.10    .  . 0 "[    .    1    .    2]" 
        84 PHI 1  61 GLY C 1  62 GLU N  1  62 GLU CA 1  62 GLU C  -88.03  -48.03  -78.19  -78.48  -81.13 0.23 18 0 "[    .    1    .    2]" 
        85 PSI 1  62 GLU N 1  62 GLU CA 1  62 GLU C  1  63 MET N  -52.24  -12.24  -35.50  -44.00  -24.01    .  . 0 "[    .    1    .    2]" 
        86 PHI 1  62 GLU C 1  63 MET N  1  63 MET CA 1  63 MET C  -86.22  -46.22  -50.80  -64.31  -45.58 0.64 13 0 "[    .    1    .    2]" 
        87 PSI 1  63 MET N 1  63 MET CA 1  63 MET C  1  64 GLU N  -59.50  -19.50  -47.33  -59.52  -29.32 0.02  2 0 "[    .    1    .    2]" 
        88 PHI 1  63 MET C 1  64 GLU N  1  64 GLU CA 1  64 GLU C  -84.86  -44.86  -61.93  -69.51  -55.09    .  . 0 "[    .    1    .    2]" 
        89 PSI 1  64 GLU N 1  64 GLU CA 1  64 GLU C  1  65 LYS N  -59.17  -19.17  -42.96  -42.32  -44.63    .  . 0 "[    .    1    .    2]" 
        90 PHI 1  64 GLU C 1  65 LYS N  1  65 LYS CA 1  65 LYS C  -84.39  -44.39  -67.26  -84.55  -60.19 0.16 17 0 "[    .    1    .    2]" 
        91 PSI 1  65 LYS N 1  65 LYS CA 1  65 LYS C  1  66 HIS N  -59.70  -19.70  -29.64  -28.39  -29.42    .  . 0 "[    .    1    .    2]" 
        92 PHI 1  65 LYS C 1  66 HIS N  1  66 HIS CA 1  66 HIS C  -87.62  -47.62  -80.44  -87.95  -73.90 0.33 16 0 "[    .    1    .    2]" 
        93 PSI 1  66 HIS N 1  66 HIS CA 1  66 HIS C  1  67 LEU N  -58.05  -18.05  -41.63  -39.12  -39.98    .  . 0 "[    .    1    .    2]" 
        94 PHI 1  66 HIS C 1  67 LEU N  1  67 LEU CA 1  67 LEU C  -86.62  -46.62  -58.80  -63.34  -52.78    .  . 0 "[    .    1    .    2]" 
        95 PSI 1  67 LEU N 1  67 LEU CA 1  67 LEU C  1  68 VAL N  -61.00  -21.00  -43.80  -45.02  -45.33    .  . 0 "[    .    1    .    2]" 
        96 PHI 1  67 LEU C 1  68 VAL N  1  68 VAL CA 1  68 VAL C  -87.71  -47.71  -69.32  -65.80  -67.38    .  . 0 "[    .    1    .    2]" 
        97 PSI 1  68 VAL N 1  68 VAL CA 1  68 VAL C  1  69 LEU N  -58.33  -18.33  -37.64  -38.14  -39.02    .  . 0 "[    .    1    .    2]" 
        98 PHI 1  68 VAL C 1  69 LEU N  1  69 LEU CA 1  69 LEU C  -80.81  -40.81  -57.23  -59.11  -63.28    .  . 0 "[    .    1    .    2]" 
        99 PSI 1  69 LEU N 1  69 LEU CA 1  69 LEU C  1  70 LEU N  -58.03  -18.03  -40.49  -51.28  -29.60    .  . 0 "[    .    1    .    2]" 
       100 PHI 1  69 LEU C 1  70 LEU N  1  70 LEU CA 1  70 LEU C  -83.10  -43.10  -56.12  -54.86  -55.33    .  . 0 "[    .    1    .    2]" 
       101 PSI 1  70 LEU N 1  70 LEU CA 1  70 LEU C  1  71 ALA N  -63.19  -23.19  -56.05  -54.46  -54.92    .  . 0 "[    .    1    .    2]" 
       102 PHI 1  71 ALA C 1  72 GLU N  1  72 GLU CA 1  72 GLU C  -84.73  -44.73  -66.43  -73.06  -61.78    .  . 0 "[    .    1    .    2]" 
       103 PSI 1  72 GLU N 1  72 GLU CA 1  72 GLU C  1  73 LEU N  -54.64  -14.64  -27.34  -32.83  -20.29    .  . 0 "[    .    1    .    2]" 
       104 PHI 1  72 GLU C 1  73 LEU N  1  73 LEU CA 1  73 LEU C -103.40  -63.40  -87.06  -80.74  -84.54    .  . 0 "[    .    1    .    2]" 
       105 PSI 1  73 LEU N 1  73 LEU CA 1  73 LEU C  1  74 LEU N  -44.30   -4.30  -35.79  -39.55  -32.19    .  . 0 "[    .    1    .    2]" 
       106 PHI 1  78 LEU C 1  79 SER N  1  79 SER CA 1  79 SER C -129.33  -74.37 -129.76 -129.73 -129.78 0.69  6 0 "[    .    1    .    2]" 
       107 PSI 1  79 SER N 1  79 SER CA 1  79 SER C  1  80 LEU N  125.99  165.99  126.14  125.83  125.70 0.75 19 0 "[    .    1    .    2]" 
       108 PHI 1  79 SER C 1  80 LEU N  1  80 LEU CA 1  80 LEU C -124.76  -83.00  -83.01  -82.51  -82.63 0.91 20 0 "[    .    1    .    2]" 
       109 PSI 1  80 LEU N 1  80 LEU CA 1  80 LEU C  1  81 HIS N  113.49  153.49  122.99  120.17  118.29 0.45 17 0 "[    .    1    .    2]" 
       110 PHI 1  80 LEU C 1  81 HIS N  1  81 HIS CA 1  81 HIS C -138.33  -97.13 -123.10 -138.16 -101.20    .  . 0 "[    .    1    .    2]" 
       111 PSI 1  81 HIS N 1  81 HIS CA 1  81 HIS C  1  82 ARG N  112.24  152.24  141.87  146.44  122.67 0.78  2 0 "[    .    1    .    2]" 
       112 PHI 1  81 HIS C 1  82 ARG N  1  82 ARG CA 1  82 ARG C -127.83  -82.49 -112.79 -128.33  -81.91 0.58 13 0 "[    .    1    .    2]" 
       113 PSI 1  82 ARG N 1  82 ARG CA 1  82 ARG C  1  83 ILE N   96.97  136.97  124.09  126.45  125.25    .  . 0 "[    .    1    .    2]" 
       114 PHI 1  82 ARG C 1  83 ILE N  1  83 ILE CA 1  83 ILE C -124.68  -84.68  -84.89  -87.19  -84.33 0.35  9 0 "[    .    1    .    2]" 
       115 PSI 1  85 THR N 1  85 THR CA 1  85 THR C  1  86 ASP N  -22.46   18.44  -21.50  -23.21   -7.75 0.75 12 0 "[    .    1    .    2]" 
       116 PHI 1  86 ASP C 1  87 THR N  1  87 THR CA 1  87 THR C -120.89  -79.77 -122.19 -125.20 -121.16 4.31  9 0 "[    .    1    .    2]" 
       117 PSI 1  87 THR N 1  87 THR CA 1  87 THR C  1  88 TYR N  105.16  145.16  118.70  104.96  125.53 0.20  8 0 "[    .    1    .    2]" 
       118 PHI 1  87 THR C 1  88 TYR N  1  88 TYR CA 1  88 TYR C -123.92  -83.92 -106.79 -115.81  -96.83    .  . 0 "[    .    1    .    2]" 
       119 PSI 1  88 TYR N 1  88 TYR CA 1  88 TYR C  1  89 VAL N  118.88  158.88  146.35  133.09  156.31    .  . 0 "[    .    1    .    2]" 
       120 PHI 1  88 TYR C 1  89 VAL N  1  89 VAL CA 1  89 VAL C -116.90  -76.90 -113.55 -117.46 -100.36 0.56 11 0 "[    .    1    .    2]" 
       121 PSI 1  89 VAL N 1  89 VAL CA 1  89 VAL C  1  90 LYS N  115.06  155.06  142.37  134.04  151.61    .  . 0 "[    .    1    .    2]" 
       122 PHI 1  89 VAL C 1  90 LYS N  1  90 LYS CA 1  90 LYS C -134.02  -92.38 -122.23 -127.81 -129.06    .  . 0 "[    .    1    .    2]" 
       123 PSI 1  90 LYS N 1  90 LYS CA 1  90 LYS C  1  91 LEU N  127.10  167.10  127.07  126.22  129.42 0.88 20 0 "[    .    1    .    2]" 
       124 PHI 1  90 LYS C 1  91 LEU N  1  91 LEU CA 1  91 LEU C -130.29  -90.29 -132.57 -135.15 -130.88 4.86  9 0 "[    .    1    .    2]" 
       125 PSI 1  91 LEU N 1  91 LEU CA 1  91 LEU C  1  92 ASP N  111.67  151.67  143.94  127.70  156.06 4.39 18 0 "[    .    1    .    2]" 
       126 PHI 1  91 LEU C 1  92 ASP N  1  92 ASP CA 1  92 ASP C -104.91  -64.91  -87.18  -93.30  -81.57    .  . 0 "[    .    1    .    2]" 
       127 PSI 1  92 ASP N 1  92 ASP CA 1  92 ASP C  1  93 LYS N  109.01  149.01  108.02  105.76  108.54 3.25  9 0 "[    .    1    .    2]" 
       128 PHI 1  92 ASP C 1  93 LYS N  1  93 LYS CA 1  93 LYS C  -90.52  -50.52  -71.78  -76.12  -67.41    .  . 0 "[    .    1    .    2]" 
       129 PSI 1  93 LYS N 1  93 LYS CA 1  93 LYS C  1  94 ALA N  -47.96   -7.96  -14.91  -12.60  -14.08    .  . 0 "[    .    1    .    2]" 
       130 PHI 1  93 LYS C 1  94 ALA N  1  94 ALA CA 1  94 ALA C  -94.93  -54.93  -89.28  -88.81  -89.83 0.14 14 0 "[    .    1    .    2]" 
       131 PSI 1  94 ALA N 1  94 ALA CA 1  94 ALA C  1  95 VAL N  -43.48   -0.98   -4.29   -8.84   -1.74    .  . 0 "[    .    1    .    2]" 
       132 PHI 1  94 ALA C 1  95 VAL N  1  95 VAL CA 1  95 VAL C -104.22  -57.78  -66.39  -73.28  -61.02    .  . 0 "[    .    1    .    2]" 
       133 PSI 1  95 VAL N 1  95 VAL CA 1  95 VAL C  1  96 ASP N  107.60  154.38  155.10  154.82  155.41 1.03 11 0 "[    .    1    .    2]" 
       134 PHI 1  95 VAL C 1  96 ASP N  1  96 ASP CA 1  96 ASP C -111.07  -59.31  -79.18  -78.27  -78.98    .  . 0 "[    .    1    .    2]" 
       135 PSI 1  96 ASP N 1  96 ASP CA 1  96 ASP C  1  97 LEU N   91.91  131.91  112.45  125.60  120.32    .  . 0 "[    .    1    .    2]" 
       136 PHI 1  97 LEU C 1  98 ALA N  1  98 ALA CA 1  98 ALA C  -87.99  -47.99  -55.49  -58.26  -53.18    .  . 0 "[    .    1    .    2]" 
       137 PSI 1  98 ALA N 1  98 ALA CA 1  98 ALA C  1  99 GLY N  -61.68  -21.68  -24.04  -22.01  -23.20 0.34 12 0 "[    .    1    .    2]" 
       138 PHI 1  99 GLY C 1 100 LEU N  1 100 LEU CA 1 100 LEU C  -89.01  -49.01  -68.47  -77.83  -61.05    .  . 0 "[    .    1    .    2]" 
       139 PSI 1 100 LEU N 1 100 LEU CA 1 100 LEU C  1 101 THR N  -57.78  -17.78  -57.07  -56.62  -57.14 0.24 11 0 "[    .    1    .    2]" 
       140 PHI 1 100 LEU C 1 101 THR N  1 101 THR CA 1 101 THR C  -86.29  -46.29  -58.47  -56.96  -57.38    .  . 0 "[    .    1    .    2]" 
       141 PSI 1 101 THR N 1 101 THR CA 1 101 THR C  1 102 ALA N  -59.53  -19.53  -22.13  -20.03  -20.07 0.54 17 0 "[    .    1    .    2]" 
       142 PHI 1 101 THR C 1 102 ALA N  1 102 ALA CA 1 102 ALA C  -85.97  -45.97  -76.52  -78.02  -79.82    .  . 0 "[    .    1    .    2]" 
       143 PSI 1 102 ALA N 1 102 ALA CA 1 102 ALA C  1 103 ARG N  -58.99  -18.99  -42.33  -46.38  -46.52    .  . 0 "[    .    1    .    2]" 
       144 PHI 1 102 ALA C 1 103 ARG N  1 103 ARG CA 1 103 ARG C  -86.12  -46.12  -83.80  -86.56  -76.28 0.44  8 0 "[    .    1    .    2]" 
       145 PSI 1 103 ARG N 1 103 ARG CA 1 103 ARG C  1 104 LEU N  -61.36  -21.36  -36.02  -43.12  -28.82    .  . 0 "[    .    1    .    2]" 
       146 PHI 1 103 ARG C 1 104 LEU N  1 104 LEU CA 1 104 LEU C  -84.06  -44.06  -72.75  -72.97  -73.43    .  . 0 "[    .    1    .    2]" 
       147 PSI 1 104 LEU N 1 104 LEU CA 1 104 LEU C  1 105 ALA N  -59.39  -19.39  -20.49  -27.20  -18.83 0.56 10 0 "[    .    1    .    2]" 
       148 PHI 1 104 LEU C 1 105 ALA N  1 105 ALA CA 1 105 ALA C  -84.75  -44.75  -48.24  -54.47  -44.46 0.29  1 0 "[    .    1    .    2]" 
       149 PSI 1 105 ALA N 1 105 ALA CA 1 105 ALA C  1 106 HIS N  -63.93  -23.93  -23.26  -23.22  -23.27 1.66 10 0 "[    .    1    .    2]" 
       150 PHI 1 105 ALA C 1 106 HIS N  1 106 HIS CA 1 106 HIS C  -86.24  -46.24  -49.89  -55.58  -47.23    .  . 0 "[    .    1    .    2]" 
       151 PSI 1 106 HIS N 1 106 HIS CA 1 106 HIS C  1 107 HIS N  -63.90  -23.90  -32.34  -33.88  -34.81    .  . 0 "[    .    1    .    2]" 
       152 PHI 1 106 HIS C 1 107 HIS N  1 107 HIS CA 1 107 HIS C  -82.21  -42.21  -82.32  -82.53  -82.55 0.56 18 0 "[    .    1    .    2]" 
       153 PSI 1 107 HIS N 1 107 HIS CA 1 107 HIS C  1 108 VAL N  -64.49  -24.49  -40.80  -49.50  -32.16    .  . 0 "[    .    1    .    2]" 
       154 PHI 1 107 HIS C 1 108 VAL N  1 108 VAL CA 1 108 VAL C  -88.65  -48.65  -62.21  -69.69  -54.00    .  . 0 "[    .    1    .    2]" 
       155 PSI 1 108 VAL N 1 108 VAL CA 1 108 VAL C  1 109 HIS N  -57.67  -17.67  -26.59  -25.63  -26.80    .  . 0 "[    .    1    .    2]" 
       156 PHI 1 108 VAL C 1 109 HIS N  1 109 HIS CA 1 109 HIS C  -88.65  -48.65  -54.37  -55.17  -56.08    .  . 0 "[    .    1    .    2]" 
       157 PSI 1 109 HIS N 1 109 HIS CA 1 109 HIS C  1 110 ALA N  -57.33  -17.33  -17.05  -16.87  -17.00 0.79 16 0 "[    .    1    .    2]" 
       158 PHI 1 110 ALA C 1 111 GLU N  1 111 GLU CA 1 111 GLU C -108.56  -68.56 -109.23 -110.20 -108.74 1.64 16 0 "[    .    1    .    2]" 
       159 PSI 1 111 GLU N 1 111 GLU CA 1 111 GLU C  1 112 GLY N  -23.34   16.66  -23.36  -24.28  -20.49 0.94 11 0 "[    .    1    .    2]" 
    stop_

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