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
406849 1xx0 cing 4-filtered-FRED Wattos check violation dihedral angle


data_1xx0


save_distance_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              130
    _TA_constraint_stats_list.Viol_count                    41
    _TA_constraint_stats_list.Viol_total                    432.06
    _TA_constraint_stats_list.Viol_max                      6.91
    _TA_constraint_stats_list.Viol_rms                      0.29
    _TA_constraint_stats_list.Viol_average_all_restraints   0.03
    _TA_constraint_stats_list.Viol_average_violations_only  1.05
    _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  13 ILE C 1  14 LEU N  1  14 LEU CA 1  14 LEU C -158.00  -14.00  -99.63 -140.48  -55.37    .  . 0 "[    .    1]" 
         2 . 1  15 LYS C 1  16 GLU N  1  16 GLU CA 1  16 GLU C  -79.00  -55.00  -59.57  -54.64  -54.96 0.94  2 0 "[    .    1]" 
         3 . 1  16 GLU C 1  17 GLU N  1  17 GLU CA 1  17 GLU C -102.00  -30.00  -57.12  -66.22  -50.58    .  . 0 "[    .    1]" 
         4 . 1  20 GLY C 1  21 VAL N  1  21 VAL CA 1  21 VAL C -145.00  -37.00  -79.94  -85.94  -73.23    .  . 0 "[    .    1]" 
         5 . 1  23 ILE C 1  24 LYS N  1  24 LYS CA 1  24 LYS C  107.00   -7.00 -164.09 -163.35 -164.98    .  . 0 "[    .    1]" 
         6 . 1  24 LYS C 1  25 GLN N  1  25 GLN CA 1  25 GLN C  174.00  -66.00 -134.94 -149.62 -127.30    .  . 0 "[    .    1]" 
         7 . 1  26 GLY C 1  27 CYS N  1  27 CYS CA 1  27 CYS C  178.00  -20.00  -78.95  -86.19  -71.01    .  . 0 "[    .    1]" 
         8 . 1  27 CYS C 1  28 LEU N  1  28 LEU CA 1  28 LEU C  167.00  -85.00 -137.10 -143.72 -131.61    .  . 0 "[    .    1]" 
         9 . 1  28 LEU C 1  29 LEU N  1  29 LEU CA 1  29 LEU C -143.00  -65.00  -93.66  -86.59  -90.74    .  . 0 "[    .    1]" 
        10 . 1  29 LEU C 1  30 LYS N  1  30 LYS CA 1  30 LYS C  174.00  -60.00 -108.86 -128.29 -101.88    .  . 0 "[    .    1]" 
        11 . 1  30 LYS C 1  31 GLN N  1  31 GLN CA 1  31 GLN C -144.00  -18.00  -72.42 -108.33  -61.56    .  . 0 "[    .    1]" 
        12 . 1  37 ASN C 1  38 TRP N  1  38 TRP CA 1  38 TRP C  178.00   -8.00 -103.85 -124.30  -62.67    .  . 0 "[    .    1]" 
        13 . 1  38 TRP C 1  39 LYS N  1  39 LYS CA 1  39 LYS C  142.00  -50.00 -115.50 -139.50 -100.92    .  . 0 "[    .    1]" 
        14 . 1  39 LYS C 1  40 VAL N  1  40 VAL CA 1  40 VAL C -129.00  -33.00  -93.82 -111.98  -80.05    .  . 0 "[    .    1]" 
        15 . 1  40 VAL C 1  41 ARG N  1  41 ARG CA 1  41 ARG C  174.00  -60.00 -131.90 -148.05 -116.57    .  . 0 "[    .    1]" 
        16 . 1  41 ARG C 1  42 LYS N  1  42 LYS CA 1  42 LYS C -154.00  -46.00  -85.61  -94.26  -77.63    .  . 0 "[    .    1]" 
        17 . 1  42 LYS C 1  43 PHE N  1  43 PHE CA 1  43 PHE C  157.00  -35.00  -98.34  -97.77 -100.81    .  . 0 "[    .    1]" 
        18 . 1  43 PHE C 1  44 ILE N  1  44 ILE CA 1  44 ILE C  177.00  -57.00 -130.48 -150.15 -112.49    .  . 0 "[    .    1]" 
        19 . 1  44 ILE C 1  45 LEU N  1  45 LEU CA 1  45 LEU C  178.00  -56.00  -99.36  -98.55  -99.50    .  . 0 "[    .    1]" 
        20 . 1  45 LEU C 1  46 ARG N  1  46 ARG CA 1  46 ARG C -162.00  -72.00 -147.09 -148.34 -149.55    .  . 0 "[    .    1]" 
        21 . 1  46 ARG C 1  47 GLU N  1  47 GLU CA 1  47 GLU C  142.00  -14.00 -100.35 -112.86  -91.10    .  . 0 "[    .    1]" 
        22 . 1  50 ALA C 1  51 TYR N  1  51 TYR CA 1  51 TYR C  153.00  -57.00 -140.12 -145.53 -130.71    .  . 0 "[    .    1]" 
        23 . 1  51 TYR C 1  52 LEU N  1  52 LEU CA 1  52 LEU C -157.00  -91.00  -93.12  -89.72  -90.38 1.71  2 0 "[    .    1]" 
        24 . 1  52 LEU C 1  53 HIS N  1  53 HIS CA 1  53 HIS C  141.00  -39.00 -124.28 -124.85 -127.65    .  . 0 "[    .    1]" 
        25 . 1  53 HIS C 1  54 TYR N  1  54 TYR CA 1  54 TYR C  176.00  -64.00 -128.83 -147.34 -112.31    .  . 0 "[    .    1]" 
        26 . 1  54 TYR C 1  55 TYR N  1  55 TYR CA 1  55 TYR C -171.00  -87.00 -122.96 -133.92 -106.77    .  . 0 "[    .    1]" 
        27 . 1  55 TYR C 1  56 ASP N  1  56 ASP CA 1  56 ASP C -152.00  -68.00  -98.16  -88.00  -90.35    .  . 0 "[    .    1]" 
        28 . 1  57 PRO C 1  58 ALA N  1  58 ALA CA 1  58 ALA C -124.00  -64.00 -102.06 -116.89  -81.06    .  . 0 "[    .    1]" 
        29 . 1  63 PRO C 1  64 LEU N  1  64 LEU CA 1  64 LEU C -120.00  -36.00  -77.85  -96.09  -61.73    .  . 0 "[    .    1]" 
        30 . 1  66 ALA C 1  67 ILE N  1  67 ILE CA 1  67 ILE C -161.00  -53.00  -82.47  -99.41  -66.38    .  . 0 "[    .    1]" 
        31 . 1  67 ILE C 1  68 HIS N  1  68 HIS CA 1  68 HIS C -136.00  -28.00  -83.23  -84.72  -85.37    .  . 0 "[    .    1]" 
        32 . 1  72 CYS C 1  73 VAL N  1  73 VAL CA 1  73 VAL C  144.00  -24.00 -110.37 -111.83 -112.92    .  . 0 "[    .    1]" 
        33 . 1  73 VAL C 1  74 VAL N  1  74 VAL CA 1  74 VAL C -167.00  -71.00 -118.46 -122.18 -112.15    .  . 0 "[    .    1]" 
        34 . 1  74 VAL C 1  75 THR N  1  75 THR CA 1  75 THR C  175.00  -47.00 -150.15 -141.65 -145.34    .  . 0 "[    .    1]" 
        35 . 1  75 THR C 1  76 SER N  1  76 SER CA 1  76 SER C -148.00  -10.00  -81.57  -87.70  -73.20    .  . 0 "[    .    1]" 
        36 . 1  76 SER C 1  77 VAL N  1  77 VAL CA 1  77 VAL C -147.00  -69.00  -85.76 -103.68  -70.79    .  . 0 "[    .    1]" 
        37 . 1  86 SER C 1  87 GLU N  1  87 GLU CA 1  87 GLU C -106.00  -40.00  -86.27  -62.58  -77.49 1.76 10 0 "[    .    1]" 
        38 . 1  91 LEU C 1  92 PHE N  1  92 PHE CA 1  92 PHE C  149.00  -43.00 -128.24 -125.48 -126.99    .  . 0 "[    .    1]" 
        39 . 1  92 PHE C 1  93 GLU N  1  93 GLU CA 1  93 GLU C -168.00  -84.00  -94.23  -96.16  -99.41    .  . 0 "[    .    1]" 
        40 . 1  93 GLU C 1  94 ILE N  1  94 ILE CA 1  94 ILE C -152.00 -104.00 -113.63 -114.40 -115.89    .  . 0 "[    .    1]" 
        41 . 1  94 ILE C 1  95 ILE N  1  95 ILE CA 1  95 ILE C -150.00  -66.00  -95.84 -101.82  -86.07    .  . 0 "[    .    1]" 
        42 . 1  95 ILE C 1  96 THR N  1  96 THR CA 1  96 THR C -178.00  -10.00  -58.57  -62.85  -53.16    .  . 0 "[    .    1]" 
        43 . 1  96 THR C 1  97 ALA N  1  97 ALA CA 1  97 ALA C  -93.00  -39.00  -66.60  -72.63  -62.31    .  . 0 "[    .    1]" 
        44 . 1  97 ALA C 1  98 ASP N  1  98 ASP CA 1  98 ASP C -139.00  -25.00  -86.74  -77.88  -81.52    .  . 0 "[    .    1]" 
        45 . 1  99 GLU C 1 100 VAL N  1 100 VAL CA 1 100 VAL C -126.00  -48.00 -103.57 -108.78  -99.59    .  . 0 "[    .    1]" 
        46 . 1 100 VAL C 1 101 HIS N  1 101 HIS CA 1 101 HIS C -153.00  -51.00  -88.78  -90.41  -91.35    .  . 0 "[    .    1]" 
        47 . 1 101 HIS C 1 102 TYR N  1 102 TYR CA 1 102 TYR C -178.00  -40.00  -99.47  -98.93  -99.69    .  . 0 "[    .    1]" 
        48 . 1 102 TYR C 1 103 PHE N  1 103 PHE CA 1 103 PHE C  168.00  -18.00  -94.89 -114.89  -80.23    .  . 0 "[    .    1]" 
        49 . 1 103 PHE C 1 104 LEU N  1 104 LEU CA 1 104 LEU C -139.00  -79.00 -126.78 -133.69 -118.37    .  . 0 "[    .    1]" 
        50 . 1 104 LEU C 1 105 GLN N  1 105 GLN CA 1 105 GLN C -167.00  -89.00 -138.99 -142.65 -135.65    .  . 0 "[    .    1]" 
        51 . 1 105 GLN C 1 106 ALA N  1 106 ALA CA 1 106 ALA C -158.00  -62.00 -112.47 -112.88 -115.09    .  . 0 "[    .    1]" 
        52 . 1 109 PRO C 1 110 LYS N  1 110 LYS CA 1 110 LYS C  -93.00  -39.00  -70.07  -93.13  -55.17 0.13  9 0 "[    .    1]" 
        53 . 1 110 LYS C 1 111 GLU N  1 111 GLU CA 1 111 GLU C  -88.00  -46.00  -59.52  -63.37  -63.92    .  . 0 "[    .    1]" 
        54 . 1 111 GLU C 1 112 ARG N  1 112 ARG CA 1 112 ARG C  -84.00  -54.00  -61.83  -60.66  -62.51    .  . 0 "[    .    1]" 
        55 . 1 112 ARG C 1 113 THR N  1 113 THR CA 1 113 THR C  -78.00  -54.00  -58.13  -60.81  -55.61    .  . 0 "[    .    1]" 
        56 . 1 113 THR C 1 114 GLU N  1 114 GLU CA 1 114 GLU C  -80.00  -50.00  -62.58  -77.18  -57.47    .  . 0 "[    .    1]" 
        57 . 1 114 GLU C 1 115 TRP N  1 115 TRP CA 1 115 TRP C  -84.00  -54.00  -71.81  -73.43  -76.17    .  . 0 "[    .    1]" 
        58 . 1 115 TRP C 1 116 ILE N  1 116 ILE CA 1 116 ILE C  -83.00  -47.00  -55.17  -53.38  -54.25    .  . 0 "[    .    1]" 
        59 . 1 116 ILE C 1 117 LYS N  1 117 LYS CA 1 117 LYS C  -87.00  -39.00  -56.55  -56.28  -56.80    .  . 0 "[    .    1]" 
        60 . 1 117 LYS C 1 118 ALA N  1 118 ALA CA 1 118 ALA C  -82.00  -52.00  -56.77  -58.64  -61.04 0.25  7 0 "[    .    1]" 
        61 . 1 118 ALA C 1 119 ILE N  1 119 ILE CA 1 119 ILE C  -84.00  -48.00  -67.28  -60.94  -64.27    .  . 0 "[    .    1]" 
        62 . 1 119 ILE C 1 120 GLN N  1 120 GLN CA 1 120 GLN C  -74.00  -50.00  -65.33  -64.77  -65.88    .  . 0 "[    .    1]" 
        63 . 1 120 GLN C 1 121 MET N  1 121 MET CA 1 121 MET C  -81.00  -51.00  -77.60  -82.15  -70.05 1.15  4 0 "[    .    1]" 
        64 . 1 121 MET C 1 122 ALA N  1 122 ALA CA 1 122 ALA C  -81.00  -45.00  -73.53  -61.20  -66.08 0.96  9 0 "[    .    1]" 
        65 . 1 122 ALA C 1 123 SER N  1 123 SER CA 1 123 SER C  -89.00  -41.00  -73.64  -68.03  -69.18 0.02  9 0 "[    .    1]" 
        66 . 1  14 LEU N 1  14 LEU CA 1  14 LEU C  1  15 LYS N   60.00 -156.00  177.71  109.65 -164.99    .  . 0 "[    .    1]" 
        67 . 1  16 GLU N 1  16 GLU CA 1  16 GLU C  1  17 GLU N  -60.00  -24.00  -31.57  -38.99  -26.18    .  . 0 "[    .    1]" 
        68 . 1  17 GLU N 1  17 GLU CA 1  17 GLU C  1  18 PHE N  -74.00   22.00  -29.55  -31.67  -37.01    .  . 0 "[    .    1]" 
        69 . 1  21 VAL N 1  21 VAL CA 1  21 VAL C  1  22 ILE N   89.00  173.00  151.39  145.26  169.63    .  . 0 "[    .    1]" 
        70 . 1  24 LYS N 1  24 LYS CA 1  24 LYS C  1  25 GLN N  110.00  170.00  141.99  137.76  132.59    .  . 0 "[    .    1]" 
        71 . 1  25 GLN N 1  25 GLN CA 1  25 GLN C  1  26 GLY N   75.00 -165.00  153.33  152.62  145.35    .  . 0 "[    .    1]" 
        72 . 1  27 CYS N 1  27 CYS CA 1  27 CYS C  1  28 LEU N   90.00 -174.00  137.84  141.02  139.71    .  . 0 "[    .    1]" 
        73 . 1  28 LEU N 1  28 LEU CA 1  28 LEU C  1  29 LEU N  125.00 -175.00  161.75  150.55  172.28    .  . 0 "[    .    1]" 
        74 . 1  29 LEU N 1  29 LEU CA 1  29 LEU C  1  30 LYS N   78.00  180.00  123.92  117.50  145.15    .  . 0 "[    .    1]" 
        75 . 1  30 LYS N 1  30 LYS CA 1  30 LYS C  1  31 GLN N   74.00  170.00  122.84  119.20  119.08    .  . 0 "[    .    1]" 
        76 . 1  31 GLN N 1  31 GLN CA 1  31 GLN C  1  32 GLY N   81.00  177.00  127.23  123.45  115.45    .  . 0 "[    .    1]" 
        77 . 1  38 TRP N 1  38 TRP CA 1  38 TRP C  1  39 LYS N   97.00 -179.00  137.06  122.70  162.94    .  . 0 "[    .    1]" 
        78 . 1  39 LYS N 1  39 LYS CA 1  39 LYS C  1  40 VAL N  101.00 -163.00  147.36  160.92  151.50    .  . 0 "[    .    1]" 
        79 . 1  40 VAL N 1  40 VAL CA 1  40 VAL C  1  41 ARG N   81.00  171.00  103.99  107.53  105.70    .  . 0 "[    .    1]" 
        80 . 1  41 ARG N 1  41 ARG CA 1  41 ARG C  1  42 LYS N  102.00 -168.00  156.30  148.38  166.44    .  . 0 "[    .    1]" 
        81 . 1  42 LYS N 1  42 LYS CA 1  42 LYS C  1  43 PHE N   76.00  166.00  115.86  123.24  121.56    .  . 0 "[    .    1]" 
        82 . 1  43 PHE N 1  43 PHE CA 1  43 PHE C  1  44 ILE N   96.00  174.00  136.95  145.56  128.18    .  . 0 "[    .    1]" 
        83 . 1  44 ILE N 1  44 ILE CA 1  44 ILE C  1  45 LEU N   76.00  166.00  125.48  118.53  130.81    .  . 0 "[    .    1]" 
        84 . 1  45 LEU N 1  45 LEU CA 1  45 LEU C  1  46 ARG N   98.00  158.00  151.02  154.97  154.48    .  . 0 "[    .    1]" 
        85 . 1  46 ARG N 1  46 ARG CA 1  46 ARG C  1  47 GLU N  113.00  179.00  134.90  126.60  143.97    .  . 0 "[    .    1]" 
        86 . 1  47 GLU N 1  47 GLU CA 1  47 GLU C  1  48 ASP N  104.00 -154.00  165.79  127.31 -169.95    .  . 0 "[    .    1]" 
        87 . 1  51 TYR N 1  51 TYR CA 1  51 TYR C  1  52 LEU N  108.00 -174.00  121.73  124.53  121.21    .  . 0 "[    .    1]" 
        88 . 1  52 LEU N 1  52 LEU CA 1  52 LEU C  1  53 HIS N  103.00 -179.00  134.26  117.60  141.18    .  . 0 "[    .    1]" 
        89 . 1  53 HIS N 1  53 HIS CA 1  53 HIS C  1  54 TYR N   82.00 -146.00  142.80  153.42  144.30    .  . 0 "[    .    1]" 
        90 . 1  54 TYR N 1  54 TYR CA 1  54 TYR C  1  55 TYR N  103.00 -155.00  136.24  139.05  137.28    .  . 0 "[    .    1]" 
        91 . 1  55 TYR N 1  55 TYR CA 1  55 TYR C  1  56 ASP N   80.00 -172.00  165.50  154.81  149.07 6.91 10 1 "[    .    +]" 
        92 . 1  56 ASP N 1  56 ASP CA 1  56 ASP C  1  57 PRO N   68.00 -166.00  128.90  135.36  132.65    .  . 0 "[    .    1]" 
        93 . 1  58 ALA N 1  58 ALA CA 1  58 ALA C  1  59 GLY N  -28.00   26.00   -6.41   -4.83   -9.11 0.29  9 0 "[    .    1]" 
        94 . 1  64 LEU N 1  64 LEU CA 1  64 LEU C  1  65 GLY N  -55.00   17.00   -9.79  -26.38  -28.09    .  . 0 "[    .    1]" 
        95 . 1  67 ILE N 1  67 ILE CA 1  67 ILE C  1  68 HIS N   87.00  177.00  128.50  137.92  136.00    .  . 0 "[    .    1]" 
        96 . 1  68 HIS N 1  68 HIS CA 1  68 HIS C  1  69 LEU N   81.00  177.00   92.72   91.88   88.66 0.52  9 0 "[    .    1]" 
        97 . 1  73 VAL N 1  73 VAL CA 1  73 VAL C  1  74 VAL N   84.00 -174.00  145.86  140.24  150.65    .  . 0 "[    .    1]" 
        98 . 1  74 VAL N 1  74 VAL CA 1  74 VAL C  1  75 THR N   94.00  160.00  155.59  154.49  153.17    .  . 0 "[    .    1]" 
        99 . 1  75 THR N 1  75 THR CA 1  75 THR C  1  76 SER N  104.00  176.00  141.14  134.25  145.61    .  . 0 "[    .    1]" 
       100 . 1  76 SER N 1  76 SER CA 1  76 SER C  1  77 VAL N  100.00  172.00  107.38   99.13  138.32 0.87  2 0 "[    .    1]" 
       101 . 1  77 VAL N 1  77 VAL CA 1  77 VAL C  1  78 GLU N   69.00 -171.00  116.49  101.96  131.28    .  . 0 "[    .    1]" 
       102 . 1  87 GLU N 1  87 GLU CA 1  87 GLU C  1  88 GLU N  -56.00   10.00  -32.93  -39.50  -41.47    .  . 0 "[    .    1]" 
       103 . 1  92 PHE N 1  92 PHE CA 1  92 PHE C  1  93 GLU N  117.00  165.00  128.58  118.77  138.29    .  . 0 "[    .    1]" 
       104 . 1  93 GLU N 1  93 GLU CA 1  93 GLU C  1  94 ILE N   89.00 -169.00  136.63  132.82  141.98    .  . 0 "[    .    1]" 
       105 . 1  94 ILE N 1  94 ILE CA 1  94 ILE C  1  95 ILE N   74.00  170.00  106.89  102.39  110.84    .  . 0 "[    .    1]" 
       106 . 1  95 ILE N 1  95 ILE CA 1  95 ILE C  1  96 THR N   81.00  171.00   88.64   83.29   92.05    .  . 0 "[    .    1]" 
       107 . 1  96 THR N 1  96 THR CA 1  96 THR C  1  97 ALA N   94.00 -140.00  167.63  169.22  165.12    .  . 0 "[    .    1]" 
       108 . 1  97 ALA N 1  97 ALA CA 1  97 ALA C  1  98 ASP N  -65.00    1.00  -13.39  -28.98    1.81 0.81  3 0 "[    .    1]" 
       109 . 1  98 ASP N 1  98 ASP CA 1  98 ASP C  1  99 GLU N  -79.00   59.00    3.03   -8.42   30.21    .  . 0 "[    .    1]" 
       110 . 1 100 VAL N 1 100 VAL CA 1 100 VAL C  1 101 HIS N   65.00 -175.00  129.69  130.09  127.81    .  . 0 "[    .    1]" 
       111 . 1 101 HIS N 1 101 HIS CA 1 101 HIS C  1 102 TYR N  115.00  175.00  114.46  114.32  113.86 2.95  5 0 "[    .    1]" 
       112 . 1 102 TYR N 1 102 TYR CA 1 102 TYR C  1 103 PHE N   98.00  176.00  118.25  115.57  111.43 0.32 10 0 "[    .    1]" 
       113 . 1 103 PHE N 1 103 PHE CA 1 103 PHE C  1 104 LEU N  101.00  167.00  116.36  115.68  115.28    .  . 0 "[    .    1]" 
       114 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C  1 105 GLN N   95.00 -175.00  154.17  151.64  157.75    .  . 0 "[    .    1]" 
       115 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C  1 106 ALA N   82.00 -176.00  146.18  135.83  155.39    .  . 0 "[    .    1]" 
       116 . 1 106 ALA N 1 106 ALA CA 1 106 ALA C  1 107 ALA N   97.00 -167.00  173.08  147.59 -168.63    .  . 0 "[    .    1]" 
       117 . 1 110 LYS N 1 110 LYS CA 1 110 LYS C  1 111 GLU N  -55.00  -25.00  -44.19  -38.67  -44.92    .  . 0 "[    .    1]" 
       118 . 1 111 GLU N 1 111 GLU CA 1 111 GLU C  1 112 ARG N  -56.00  -26.00  -44.64  -52.34  -37.39    .  . 0 "[    .    1]" 
       119 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C  1 113 THR N  -63.00  -21.00  -42.40  -45.22  -38.81    .  . 0 "[    .    1]" 
       120 . 1 113 THR N 1 113 THR CA 1 113 THR C  1 114 GLU N  -61.00  -19.00  -41.57  -40.52  -41.77    .  . 0 "[    .    1]" 
       121 . 1 114 GLU N 1 114 GLU CA 1 114 GLU C  1 115 TRP N  -54.00  -24.00  -38.36  -36.75  -36.93    .  . 0 "[    .    1]" 
       122 . 1 115 TRP N 1 115 TRP CA 1 115 TRP C  1 116 ILE N  -65.00  -17.00  -33.69  -38.44  -30.69    .  . 0 "[    .    1]" 
       123 . 1 116 ILE N 1 116 ILE CA 1 116 ILE C  1 117 LYS N  -71.00  -23.00  -55.64  -57.82  -51.85    .  . 0 "[    .    1]" 
       124 . 1 117 LYS N 1 117 LYS CA 1 117 LYS C  1 118 ALA N  -79.00   11.00  -44.87  -54.68  -39.39    .  . 0 "[    .    1]" 
       125 . 1 118 ALA N 1 118 ALA CA 1 118 ALA C  1 119 ILE N  -57.00  -27.00  -54.94  -57.18  -52.14 0.18  9 0 "[    .    1]" 
       126 . 1 119 ILE N 1 119 ILE CA 1 119 ILE C  1 120 GLN N  -57.00  -27.00  -41.23  -44.62  -36.25    .  . 0 "[    .    1]" 
       127 . 1 120 GLN N 1 120 GLN CA 1 120 GLN C  1 121 MET N  -59.00  -23.00  -37.61  -49.35  -30.76    .  . 0 "[    .    1]" 
       128 . 1 121 MET N 1 121 MET CA 1 121 MET C  1 122 ALA N  -55.00  -13.00  -30.79  -40.84  -20.97    .  . 0 "[    .    1]" 
       129 . 1 122 ALA N 1 122 ALA CA 1 122 ALA C  1 123 SER N  -64.00  -16.00  -30.97  -31.15  -35.42    .  . 0 "[    .    1]" 
       130 . 1 123 SER N 1 123 SER CA 1 123 SER C  1 124 ARG N  -72.00   12.00  -11.63  -29.30    9.45    .  . 0 "[    .    1]" 
    stop_

save_



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