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
586394 2mnw 19910 cing 4-filtered-FRED Wattos check violation dihedral angle


data_2mnw


save_dihedral_constraint_statistics_1
    _TA_constraint_stats_list.Sf_category                   torsion_angle_constraint_statistics
    _TA_constraint_stats_list.Constraint_count              156
    _TA_constraint_stats_list.Viol_count                    429
    _TA_constraint_stats_list.Viol_total                    8663.33
    _TA_constraint_stats_list.Viol_max                      4.19
    _TA_constraint_stats_list.Viol_rms                      0.47
    _TA_constraint_stats_list.Viol_average_all_restraints   0.14
    _TA_constraint_stats_list.Viol_average_violations_only  1.01
    _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  38 MET C 1  39 LEU N  1  39 LEU CA 1  39 LEU C -144.00  -60.00 -117.11 -120.34 -123.41    .  . 0 "[    .    1    .    2]" 
         2 . 1  39 LEU N 1  39 LEU CA 1  39 LEU C  1  40 THR N  107.00  159.00  136.28  148.72  144.26 0.45  9 0 "[    .    1    .    2]" 
         3 . 1  39 LEU C 1  40 THR N  1  40 THR CA 1  40 THR C -137.00  -41.00  -70.71  -70.74  -73.51    .  . 0 "[    .    1    .    2]" 
         4 . 1  40 THR N 1  40 THR CA 1  40 THR C  1  41 PRO N   89.00  161.00  125.57  105.53  149.92    .  . 0 "[    .    1    .    2]" 
         5 . 1  40 THR C 1  41 PRO N  1  41 PRO CA 1  41 PRO C  -91.00  -51.00  -62.76  -56.04  -59.70    .  . 0 "[    .    1    .    2]" 
         6 . 1  41 PRO N 1  41 PRO CA 1  41 PRO C  1  42 ALA N  132.00  172.00  154.59  146.43  139.38 0.31 20 0 "[    .    1    .    2]" 
         7 . 1  41 PRO C 1  42 ALA N  1  42 ALA CA 1  42 ALA C -111.00  -71.00  -88.75 -111.01  -75.68 0.01  3 0 "[    .    1    .    2]" 
         8 . 1  43 PHE N 1  43 PHE CA 1  43 PHE C  1  44 ASP N  147.00 -173.00  162.96  150.41  170.23    .  . 0 "[    .    1    .    2]" 
         9 . 1  43 PHE C 1  44 ASP N  1  44 ASP CA 1  44 ASP C -167.00 -119.00 -149.65 -157.46 -143.80    .  . 0 "[    .    1    .    2]" 
        10 . 1  44 ASP N 1  44 ASP CA 1  44 ASP C  1  45 LEU N  135.00  175.00  150.69  149.67  148.52    .  . 0 "[    .    1    .    2]" 
        11 . 1  44 ASP C 1  45 LEU N  1  45 LEU CA 1  45 LEU C -154.00 -114.00 -117.29 -118.71 -120.08 1.09  9 0 "[    .    1    .    2]" 
        12 . 1  45 LEU N 1  45 LEU CA 1  45 LEU C  1  46 SER N  114.00  170.00  136.23  133.46  141.32    .  . 0 "[    .    1    .    2]" 
        13 . 1  45 LEU C 1  46 SER N  1  46 SER CA 1  46 SER C -178.00  -90.00 -140.24 -139.76 -140.43    .  . 0 "[    .    1    .    2]" 
        14 . 1  46 SER N 1  46 SER CA 1  46 SER C  1  47 GLN N  131.00  175.00  132.94  130.22  136.05 0.78 19 0 "[    .    1    .    2]" 
        15 . 1  46 SER C 1  47 GLN N  1  47 GLN CA 1  47 GLN C -171.00 -131.00 -130.97 -130.05 -130.23 1.14  5 0 "[    .    1    .    2]" 
        16 . 1  47 GLN N 1  47 GLN CA 1  47 GLN C  1  48 ASP N  136.00  176.00  142.55  139.52  145.53    .  . 0 "[    .    1    .    2]" 
        17 . 1  47 GLN C 1  48 ASP N  1  48 ASP CA 1  48 ASP C -121.00  -53.00 -106.26 -101.44 -102.42    .  . 0 "[    .    1    .    2]" 
        18 . 1  48 ASP N 1  48 ASP CA 1  48 ASP C  1  49 PRO N   99.00  159.00  160.54  157.84  161.50 2.50 15 0 "[    .    1    .    2]" 
        19 . 1  48 ASP C 1  49 PRO N  1  49 PRO CA 1  49 PRO C  -79.00  -39.00  -61.43  -65.87  -54.75    .  . 0 "[    .    1    .    2]" 
        20 . 1  49 PRO N 1  49 PRO CA 1  49 PRO C  1  50 ASP N  -42.00   -2.00   -3.03   -8.16   -0.31 1.69  6 0 "[    .    1    .    2]" 
        21 . 1  49 PRO C 1  50 ASP N  1  50 ASP CA 1  50 ASP C -133.00  -57.00 -135.96 -135.01 -135.35 4.19  7 0 "[    .    1    .    2]" 
        22 . 1  50 ASP N 1  50 ASP CA 1  50 ASP C  1  51 PHE N  -54.00   38.00    9.56   13.74   12.31    .  . 0 "[    .    1    .    2]" 
        23 . 1  50 ASP C 1  51 PHE N  1  51 PHE CA 1  51 PHE C -176.00  -96.00 -169.88 -171.99 -167.07    .  . 0 "[    .    1    .    2]" 
        24 . 1  51 PHE N 1  51 PHE CA 1  51 PHE C  1  52 LEU N  121.00  173.00  170.44  170.71  170.39 0.21  5 0 "[    .    1    .    2]" 
        25 . 1  51 PHE C 1  52 LEU N  1  52 LEU CA 1  52 LEU C -170.00  -98.00 -135.27 -135.72 -135.72    .  . 0 "[    .    1    .    2]" 
        26 . 1  52 LEU N 1  52 LEU CA 1  52 LEU C  1  53 THR N  107.00  147.00  112.49  106.24  120.19 0.76 18 0 "[    .    1    .    2]" 
        27 . 1  52 LEU C 1  53 THR N  1  53 THR CA 1  53 THR C -130.00  -70.00 -105.79 -111.94  -99.41    .  . 0 "[    .    1    .    2]" 
        28 . 1  53 THR N 1  53 THR CA 1  53 THR C  1  54 ILE N  107.00  151.00  142.41  126.76  151.18 0.18 12 0 "[    .    1    .    2]" 
        29 . 1  53 THR C 1  54 ILE N  1  54 ILE CA 1  54 ILE C -136.00  -96.00 -117.65 -119.42 -122.64    .  . 0 "[    .    1    .    2]" 
        30 . 1  54 ILE N 1  54 ILE CA 1  54 ILE C  1  55 ALA N  114.00  154.00  152.44  137.91  155.50 1.50 13 0 "[    .    1    .    2]" 
        31 . 1  54 ILE C 1  55 ALA N  1  55 ALA CA 1  55 ALA C -143.00  -59.00 -134.98 -134.23 -136.13 0.20 13 0 "[    .    1    .    2]" 
        32 . 1  55 ALA N 1  55 ALA CA 1  55 ALA C  1  56 ILE N  107.00  159.00  118.29  106.84  139.17 0.16 16 0 "[    .    1    .    2]" 
        33 . 1  55 ALA C 1  56 ILE N  1  56 ILE CA 1  56 ILE C -125.00  -85.00 -122.67 -126.26 -108.46 1.26  7 0 "[    .    1    .    2]" 
        34 . 1  56 ILE N 1  56 ILE CA 1  56 ILE C  1  57 ARG N  105.00  149.00  126.07  118.61  134.65    .  . 0 "[    .    1    .    2]" 
        35 . 1  56 ILE C 1  57 ARG N  1  57 ARG CA 1  57 ARG C -108.00  -56.00  -95.59 -108.59  -77.27 0.59  4 0 "[    .    1    .    2]" 
        36 . 1  57 ARG N 1  57 ARG CA 1  57 ARG C  1  58 VAL N  121.00  161.00  119.73  120.06  119.44 3.00 13 0 "[    .    1    .    2]" 
        37 . 1  57 ARG C 1  58 VAL N  1  58 VAL CA 1  58 VAL C -175.00  -63.00 -143.79 -141.88 -142.91    .  . 0 "[    .    1    .    2]" 
        38 . 1  60 TYR N 1  60 TYR CA 1  60 TYR C  1  61 ALA N  -52.00  -12.00  -29.53   -9.90  -10.05 2.89 17 0 "[    .    1    .    2]" 
        39 . 1  61 ALA C 1  62 ARG N  1  62 ARG CA 1  62 ARG C -104.00  -60.00  -79.15 -101.48  -56.99 3.01 19 0 "[    .    1    .    2]" 
        40 . 1  63 VAL N 1  63 VAL CA 1  63 VAL C  1  64 SER N  125.00  177.00  134.19  133.28  130.54 0.33 19 0 "[    .    1    .    2]" 
        41 . 1  63 VAL C 1  64 SER N  1  64 SER CA 1  64 SER C -127.00  -55.00  -59.43  -96.60  -54.84 0.16 19 0 "[    .    1    .    2]" 
        42 . 1  64 SER N 1  64 SER CA 1  64 SER C  1  65 GLU N  -41.00   11.00  -35.43  -41.68   12.72 1.72 13 0 "[    .    1    .    2]" 
        43 . 1  64 SER C 1  65 GLU N  1  65 GLU CA 1  65 GLU C -169.00  -53.00 -128.98 -125.47 -128.14 2.07 13 0 "[    .    1    .    2]" 
        44 . 1  65 GLU N 1  65 GLU CA 1  65 GLU C  1  66 PHE N  104.00 -164.00  142.21  108.43  153.52    .  . 0 "[    .    1    .    2]" 
        45 . 1  65 GLU C 1  66 PHE N  1  66 PHE CA 1  66 PHE C -163.00  -71.00  -94.41  -99.24 -101.22    .  . 0 "[    .    1    .    2]" 
        46 . 1  66 PHE N 1  66 PHE CA 1  66 PHE C  1  67 ASP N  104.00  168.00  164.71  168.66  168.43 0.94  2 0 "[    .    1    .    2]" 
        47 . 1  66 PHE C 1  67 ASP N  1  67 ASP CA 1  67 ASP C -165.00  -57.00 -115.53 -119.03 -123.48    .  . 0 "[    .    1    .    2]" 
        48 . 1  67 ASP N 1  67 ASP CA 1  67 ASP C  1  68 VAL N  112.00  164.00  118.32  110.99  128.51 1.01 13 0 "[    .    1    .    2]" 
        49 . 1  67 ASP C 1  68 VAL N  1  68 VAL CA 1  68 VAL C -139.00  -99.00 -120.17 -121.96 -122.85    .  . 0 "[    .    1    .    2]" 
        50 . 1  68 VAL N 1  68 VAL CA 1  68 VAL C  1  69 TYR N  115.00  155.00  118.59  114.55  132.58 0.45  6 0 "[    .    1    .    2]" 
        51 . 1  68 VAL C 1  69 TYR N  1  69 TYR CA 1  69 TYR C -152.00 -104.00 -122.73 -135.34 -112.09    .  . 0 "[    .    1    .    2]" 
        52 . 1  69 TYR N 1  69 TYR CA 1  69 TYR C  1  70 PHE N  102.00  174.00  119.09  123.15  120.27    .  . 0 "[    .    1    .    2]" 
        53 . 1  69 TYR C 1  70 PHE N  1  70 PHE CA 1  70 PHE C  177.00  -79.00 -124.76 -134.21 -116.69    .  . 0 "[    .    1    .    2]" 
        54 . 1  70 PHE N 1  70 PHE CA 1  70 PHE C  1  71 GLU N  113.00 -179.00  117.71  121.89  119.28 0.63 13 0 "[    .    1    .    2]" 
        55 . 1  70 PHE C 1  71 GLU N  1  71 GLU CA 1  71 GLU C -138.00  -62.00 -138.04 -139.64 -140.71 2.75 17 0 "[    .    1    .    2]" 
        56 . 1  71 GLU N 1  71 GLU CA 1  71 GLU C  1  72 GLY N   96.00  160.00  114.69   96.76  124.96    .  . 0 "[    .    1    .    2]" 
        57 . 1  73 SER N 1  73 SER CA 1  73 SER C  1  74 ASP N  -14.00   26.00   16.76   26.07   25.40 1.44  8 0 "[    .    1    .    2]" 
        58 . 1  73 SER C 1  74 ASP N  1  74 ASP CA 1  74 ASP C -167.00  -87.00 -110.35 -115.76 -116.19 1.21 15 0 "[    .    1    .    2]" 
        59 . 1  74 ASP N 1  74 ASP CA 1  74 ASP C  1  75 PHE N  105.00  169.00  109.50  103.21  130.99 1.79 13 0 "[    .    1    .    2]" 
        60 . 1  74 ASP C 1  75 PHE N  1  75 PHE CA 1  75 PHE C -164.00  -84.00 -110.14 -130.03  -99.11    .  . 0 "[    .    1    .    2]" 
        61 . 1  75 PHE N 1  75 PHE CA 1  75 PHE C  1  76 LYS N  112.00  152.00  115.88  120.76  117.88 1.00 14 0 "[    .    1    .    2]" 
        62 . 1  75 PHE C 1  76 LYS N  1  76 LYS CA 1  76 LYS C -146.00  -90.00 -120.53 -129.00 -113.67    .  . 0 "[    .    1    .    2]" 
        63 . 1  76 LYS N 1  76 LYS CA 1  76 LYS C  1  77 PHE N  111.00  151.00  127.28  134.57  131.78    .  . 0 "[    .    1    .    2]" 
        64 . 1  76 LYS C 1  77 PHE N  1  77 PHE CA 1  77 PHE C -148.00 -100.00 -121.90 -130.95 -102.68    .  . 0 "[    .    1    .    2]" 
        65 . 1  77 PHE N 1  77 PHE CA 1  77 PHE C  1  78 TYR N  111.00  151.00  117.71  109.29  148.66 1.71  7 0 "[    .    1    .    2]" 
        66 . 1  77 PHE C 1  78 TYR N  1  78 TYR CA 1  78 TYR C -136.00  -88.00 -120.34 -131.50 -135.49 1.52  3 0 "[    .    1    .    2]" 
        67 . 1  78 TYR N 1  78 TYR CA 1  78 TYR C  1  79 ALA N  102.00  146.00  115.81  116.25  112.35 0.23 17 0 "[    .    1    .    2]" 
        68 . 1  78 TYR C 1  79 ALA N  1  79 ALA CA 1  79 ALA C -149.00  -77.00 -129.12 -110.78 -126.32    .  . 0 "[    .    1    .    2]" 
        69 . 1  82 TYR N 1  82 TYR CA 1  82 TYR C  1  83 PHE N  101.00  145.00  120.77  131.92  125.61    .  . 0 "[    .    1    .    2]" 
        70 . 1  82 TYR C 1  83 PHE N  1  83 PHE CA 1  83 PHE C -148.00 -108.00 -124.05 -123.86 -124.77    .  . 0 "[    .    1    .    2]" 
        71 . 1  83 PHE N 1  83 PHE CA 1  83 PHE C  1  84 LEU N  111.00  151.00  120.90  111.95  128.59    .  . 0 "[    .    1    .    2]" 
        72 . 1  83 PHE C 1  84 LEU N  1  84 LEU CA 1  84 LEU C -148.00 -108.00 -118.94 -116.07 -116.98    .  . 0 "[    .    1    .    2]" 
        73 . 1  84 LEU N 1  84 LEU CA 1  84 LEU C  1  85 ARG N  110.00  150.00  112.93  109.18  117.90 0.82  9 0 "[    .    1    .    2]" 
        74 . 1  84 LEU C 1  85 ARG N  1  85 ARG CA 1  85 ARG C -140.00 -100.00 -117.84 -118.00 -118.73    .  . 0 "[    .    1    .    2]" 
        75 . 1  85 ARG N 1  85 ARG CA 1  85 ARG C  1  86 LEU N  109.00  153.00  112.51  109.53  116.48    .  . 0 "[    .    1    .    2]" 
        76 . 1  85 ARG C 1  86 LEU N  1  86 LEU CA 1  86 LEU C -144.00 -104.00 -129.00 -142.89 -121.00    .  . 0 "[    .    1    .    2]" 
        77 . 1  86 LEU N 1  86 LEU CA 1  86 LEU C  1  87 THR N  109.00  157.00  135.06  130.91  130.63    .  . 0 "[    .    1    .    2]" 
        78 . 1  86 LEU C 1  87 THR N  1  87 THR CA 1  87 THR C -132.00  -80.00 -101.48 -101.23 -102.14    .  . 0 "[    .    1    .    2]" 
        79 . 1  87 THR N 1  87 THR CA 1  87 THR C  1  88 LEU N  103.00  143.00  110.57  110.30  109.03    .  . 0 "[    .    1    .    2]" 
        80 . 1  87 THR C 1  88 LEU N  1  88 LEU CA 1  88 LEU C -103.00  -51.00  -71.05  -81.47  -62.40    .  . 0 "[    .    1    .    2]" 
        81 . 1  88 LEU N 1  88 LEU CA 1  88 LEU C  1  89 PRO N  126.00  166.00  139.74  126.27  155.79    .  . 0 "[    .    1    .    2]" 
        82 . 1  88 LEU C 1  89 PRO N  1  89 PRO CA 1  89 PRO C  -87.00  -47.00  -66.30  -60.12  -61.47    .  . 0 "[    .    1    .    2]" 
        83 . 1  90 GLY C 1  91 ARG N  1  91 ARG CA 1  91 ARG C -161.00  -65.00 -138.97 -154.15  -62.74 2.26 16 0 "[    .    1    .    2]" 
        84 . 1  91 ARG N 1  91 ARG CA 1  91 ARG C  1  92 ILE N  125.00  165.00  141.29  136.49  132.76    .  . 0 "[    .    1    .    2]" 
        85 . 1  91 ARG C 1  92 ILE N  1  92 ILE CA 1  92 ILE C -154.00 -106.00 -117.32 -123.28 -110.87    .  . 0 "[    .    1    .    2]" 
        86 . 1  92 ILE N 1  92 ILE CA 1  92 ILE C  1  93 VAL N  127.00 -165.00  125.38  125.60  125.21 3.89 15 0 "[    .    1    .    2]" 
        87 . 1  93 VAL N 1  93 VAL CA 1  93 VAL C  1  94 GLU N  123.00  167.00  154.06  141.07  162.56    .  . 0 "[    .    1    .    2]" 
        88 . 1  93 VAL C 1  94 GLU N  1  94 GLU CA 1  94 GLU C -123.00  -55.00 -119.30 -122.03 -123.07 2.03 16 0 "[    .    1    .    2]" 
        89 . 1  94 GLU N 1  94 GLU CA 1  94 GLU C  1  95 ASN N  110.00  174.00  128.42  128.41  127.66    .  . 0 "[    .    1    .    2]" 
        90 . 1  95 ASN C 1  96 GLY N  1  96 GLY CA 1  96 GLY C   68.00  112.00  100.51  107.46   86.55 0.73  8 0 "[    .    1    .    2]" 
        91 . 1  96 GLY N 1  96 GLY CA 1  96 GLY C  1  97 SER N  -32.00   20.00   -3.30   -0.03   -1.21 0.73 20 0 "[    .    1    .    2]" 
        92 . 1  96 GLY C 1  97 SER N  1  97 SER CA 1  97 SER C  -98.00  -58.00  -83.66  -99.46  -57.95 1.46  8 0 "[    .    1    .    2]" 
        93 . 1  99 GLN N 1  99 GLN CA 1  99 GLN C  1 100 GLY N  120.00  176.00  134.53  122.19  119.07 0.93  1 0 "[    .    1    .    2]" 
        94 . 1  99 GLN C 1 100 GLY N  1 100 GLY CA 1 100 GLY C  161.00  -63.00 -141.02 -135.25 -140.38    .  . 0 "[    .    1    .    2]" 
        95 . 1 100 GLY N 1 100 GLY CA 1 100 GLY C  1 101 SER N  135.00 -169.00  145.12  134.66 -179.16 0.34  6 0 "[    .    1    .    2]" 
        96 . 1 100 GLY C 1 101 SER N  1 101 SER CA 1 101 SER C -165.00  -53.00 -152.24 -155.11 -157.67    .  . 0 "[    .    1    .    2]" 
        97 . 1 101 SER N 1 101 SER CA 1 101 SER C  1 102 TYR N  105.00  161.00  113.27  104.36  148.93 0.64 14 0 "[    .    1    .    2]" 
        98 . 1 101 SER C 1 102 TYR N  1 102 TYR CA 1 102 TYR C -138.00  -82.00 -108.28 -120.15  -94.73    .  . 0 "[    .    1    .    2]" 
        99 . 1 102 TYR N 1 102 TYR CA 1 102 TYR C  1 103 ASP N   99.00  151.00  127.90  136.88  132.94    .  . 0 "[    .    1    .    2]" 
       100 . 1 102 TYR C 1 103 ASP N  1 103 ASP CA 1 103 ASP C -125.00  -57.00 -112.83 -123.23 -124.93    .  . 0 "[    .    1    .    2]" 
       101 . 1 103 ASP N 1 103 ASP CA 1 103 ASP C  1 104 ALA N   70.00  134.00  117.82  132.72  128.90 0.03 16 0 "[    .    1    .    2]" 
       102 . 1 103 ASP C 1 104 ALA N  1 104 ALA CA 1 104 ALA C  -82.00  -42.00  -75.53  -79.48  -81.11 1.05 12 0 "[    .    1    .    2]" 
       103 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C  1 105 ASP N  -54.00    2.00  -45.03  -53.68  -31.87    .  . 0 "[    .    1    .    2]" 
       104 . 1 104 ALA C 1 105 ASP N  1 105 ASP CA 1 105 ASP C  -94.00  -54.00  -54.41  -60.30  -51.80 2.20  9 0 "[    .    1    .    2]" 
       105 . 1 105 ASP N 1 105 ASP CA 1 105 ASP C  1 106 LYS N  -53.00  -13.00  -49.25  -55.22  -39.30 2.22  5 0 "[    .    1    .    2]" 
       106 . 1 105 ASP C 1 106 LYS N  1 106 LYS CA 1 106 LYS C -110.00  -70.00  -85.70  -87.97  -91.25    .  . 0 "[    .    1    .    2]" 
       107 . 1 106 LYS N 1 106 LYS CA 1 106 LYS C  1 107 GLY N  -27.00   13.00  -19.20  -27.41   -6.28 0.41  9 0 "[    .    1    .    2]" 
       108 . 1 106 LYS C 1 107 GLY N  1 107 GLY CA 1 107 GLY C   55.00   99.00   64.50   65.26   63.96 0.54 16 0 "[    .    1    .    2]" 
       109 . 1 107 GLY N 1 107 GLY CA 1 107 GLY C  1 108 ILE N  -13.00   63.00   58.65   38.35   63.51 0.51  8 0 "[    .    1    .    2]" 
       110 . 1 107 GLY C 1 108 ILE N  1 108 ILE CA 1 108 ILE C -160.00  -88.00 -150.11 -151.46 -154.34 0.23 19 0 "[    .    1    .    2]" 
       111 . 1 108 ILE N 1 108 ILE CA 1 108 ILE C  1 109 PHE N  112.00  152.00  130.79  116.29  151.94    .  . 0 "[    .    1    .    2]" 
       112 . 1 108 ILE C 1 109 PHE N  1 109 PHE CA 1 109 PHE C -150.00  -86.00 -110.01 -116.21 -100.11    .  . 0 "[    .    1    .    2]" 
       113 . 1 109 PHE N 1 109 PHE CA 1 109 PHE C  1 110 THR N  109.00  149.00  115.30  108.35  124.59 0.65  2 0 "[    .    1    .    2]" 
       114 . 1 109 PHE C 1 110 THR N  1 110 THR CA 1 110 THR C -134.00  -94.00 -116.93 -119.76 -120.59    .  . 0 "[    .    1    .    2]" 
       115 . 1 110 THR N 1 110 THR CA 1 110 THR C  1 111 ILE N  101.00  157.00  126.79  117.68  147.73    .  . 0 "[    .    1    .    2]" 
       116 . 1 110 THR C 1 111 ILE N  1 111 ILE CA 1 111 ILE C -146.00  -98.00 -133.45 -130.55 -131.99    .  . 0 "[    .    1    .    2]" 
       117 . 1 111 ILE N 1 111 ILE CA 1 111 ILE C  1 112 ARG N  120.00  164.00  123.23  117.86  162.68 2.14 20 0 "[    .    1    .    2]" 
       118 . 1 111 ILE C 1 112 ARG N  1 112 ARG CA 1 112 ARG C -135.00  -79.00  -92.34  -88.52  -90.10 0.32 17 0 "[    .    1    .    2]" 
       119 . 1 112 ARG N 1 112 ARG CA 1 112 ARG C  1 113 LEU N  108.00  148.00  144.67  140.36  148.59 0.59 18 0 "[    .    1    .    2]" 
       120 . 1 112 ARG C 1 113 LEU N  1 113 LEU CA 1 113 LEU C -135.00  -67.00 -133.68 -129.37 -131.47 1.34  7 0 "[    .    1    .    2]" 
       121 . 1 113 LEU N 1 113 LEU CA 1 113 LEU C  1 114 PRO N   97.00  157.00  136.11  116.31  150.73    .  . 0 "[    .    1    .    2]" 
       122 . 1 113 LEU C 1 114 PRO N  1 114 PRO CA 1 114 PRO C  -90.00  -50.00  -71.62  -66.98  -73.18    .  . 0 "[    .    1    .    2]" 
       123 . 1 114 PRO N 1 114 PRO CA 1 114 PRO C  1 115 LYS N  130.00  170.00  151.74  144.33  158.98    .  . 0 "[    .    1    .    2]" 
       124 . 1 114 PRO C 1 115 LYS N  1 115 LYS CA 1 115 LYS C -143.00  -55.00  -94.95  -96.67  -96.76    .  . 0 "[    .    1    .    2]" 
       125 . 1 115 LYS N 1 115 LYS CA 1 115 LYS C  1 116 GLU N   96.00  156.00  155.05  148.54  157.47 1.47  6 0 "[    .    1    .    2]" 
       126 . 1 115 LYS C 1 116 GLU N  1 116 GLU CA 1 116 GLU C  -91.00  -51.00  -85.15  -85.02  -86.99    .  . 0 "[    .    1    .    2]" 
       127 . 1 117 THR N 1 117 THR CA 1 117 THR C  1 118 PRO N   70.00 -166.00  108.10   86.80  130.49    .  . 0 "[    .    1    .    2]" 
       128 . 1 117 THR C 1 118 PRO N  1 118 PRO CA 1 118 PRO C  -79.00  -39.00  -53.26  -58.62  -61.61    .  . 0 "[    .    1    .    2]" 
       129 . 1 118 PRO N 1 118 PRO CA 1 118 PRO C  1 119 GLY N  116.00  160.00  147.82  146.29  143.80 0.12 12 0 "[    .    1    .    2]" 
       130 . 1 118 PRO C 1 119 GLY N  1 119 GLY CA 1 119 GLY C   71.00  119.00   82.92   81.82   79.79    .  . 0 "[    .    1    .    2]" 
       131 . 1 119 GLY N 1 119 GLY CA 1 119 GLY C  1 120 GLN N  -35.00    5.00   -2.84  -12.82    3.60    .  . 0 "[    .    1    .    2]" 
       132 . 1 119 GLY C 1 120 GLN N  1 120 GLN CA 1 120 GLN C -119.00  -67.00  -79.13  -84.79  -66.98 0.02  6 0 "[    .    1    .    2]" 
       133 . 1 120 GLN N 1 120 GLN CA 1 120 GLN C  1 121 HIS N  107.00  147.00  132.41  128.52  126.75    .  . 0 "[    .    1    .    2]" 
       134 . 1 120 GLN C 1 121 HIS N  1 121 HIS CA 1 121 HIS C -145.00  -45.00 -125.49 -127.42 -128.01    .  . 0 "[    .    1    .    2]" 
       135 . 1 121 HIS N 1 121 HIS CA 1 121 HIS C  1 122 PHE N   96.00  144.00  119.26  111.95  125.68    .  . 0 "[    .    1    .    2]" 
       136 . 1 121 HIS C 1 122 PHE N  1 122 PHE CA 1 122 PHE C -131.00  -67.00  -77.33  -88.50  -67.93    .  . 0 "[    .    1    .    2]" 
       137 . 1 122 PHE N 1 122 PHE CA 1 122 PHE C  1 123 GLU N   91.00  151.00   91.33   89.72   94.46 1.28 18 0 "[    .    1    .    2]" 
       138 . 1 122 PHE C 1 123 GLU N  1 123 GLU CA 1 123 GLU C -111.00  -63.00  -70.36  -77.24  -60.83 2.17  4 0 "[    .    1    .    2]" 
       139 . 1 123 GLU N 1 123 GLU CA 1 123 GLU C  1 124 GLY N  109.00  173.00  168.86  172.32  171.29 1.56 10 0 "[    .    1    .    2]" 
       140 . 1 123 GLU C 1 124 GLY N  1 124 GLY CA 1 124 GLY C   35.00   75.00   36.40   33.56   45.03 1.44 16 0 "[    .    1    .    2]" 
       141 . 1 124 GLY N 1 124 GLY CA 1 124 GLY C  1 125 LEU N   17.00   57.00   41.20   32.66   57.95 0.95  4 0 "[    .    1    .    2]" 
       142 . 1 124 GLY C 1 125 LEU N  1 125 LEU CA 1 125 LEU C  -83.00  -43.00  -58.57  -63.53  -43.13    .  . 0 "[    .    1    .    2]" 
       143 . 1 125 LEU N 1 125 LEU CA 1 125 LEU C  1 126 ASN N  -61.00   -9.00  -59.75  -63.58  -21.90 2.58  2 0 "[    .    1    .    2]" 
       144 . 1 125 LEU C 1 126 ASN N  1 126 ASN CA 1 126 ASN C -100.00  -44.00  -83.58  -97.96  -69.26    .  . 0 "[    .    1    .    2]" 
       145 . 1 126 ASN C 1 127 MET N  1 127 MET CA 1 127 MET C -120.00  -80.00 -112.13 -113.48 -114.97 1.82 19 0 "[    .    1    .    2]" 
       146 . 1 127 MET N 1 127 MET CA 1 127 MET C  1 128 LEU N  -31.00   25.00  -20.04    6.81  -26.17 1.85 11 0 "[    .    1    .    2]" 
       147 . 1 127 MET C 1 128 LEU N  1 128 LEU CA 1 128 LEU C  -99.00  -35.00  -56.22  -98.32  -42.13    .  . 0 "[    .    1    .    2]" 
       148 . 1 128 LEU N 1 128 LEU CA 1 128 LEU C  1 129 THR N  113.00  177.00  173.12  125.70  178.76 1.76  3 0 "[    .    1    .    2]" 
       149 . 1 128 LEU C 1 129 THR N  1 129 THR CA 1 129 THR C -147.00  -99.00 -133.57 -123.45 -127.34 2.32  8 0 "[    .    1    .    2]" 
       150 . 1 129 THR N 1 129 THR CA 1 129 THR C  1 130 ALA N  122.00 -170.00  168.26  167.91  163.64    .  . 0 "[    .    1    .    2]" 
       151 . 1 129 THR C 1 130 ALA N  1 130 ALA CA 1 130 ALA C -104.00  -64.00  -96.69  -99.14 -101.66 0.19 14 0 "[    .    1    .    2]" 
       152 . 1 130 ALA N 1 130 ALA CA 1 130 ALA C  1 131 LEU N  112.00  172.00  129.58  112.16  144.79    .  . 0 "[    .    1    .    2]" 
       153 . 1 130 ALA C 1 131 LEU N  1 131 LEU CA 1 131 LEU C -123.00  -47.00 -111.86 -105.12 -107.14 3.09  8 0 "[    .    1    .    2]" 
       154 . 1 131 LEU N 1 131 LEU CA 1 131 LEU C  1 132 LEU N  108.00  148.00  124.81  107.65  145.20 0.35 10 0 "[    .    1    .    2]" 
       155 . 1 131 LEU C 1 132 LEU N  1 132 LEU CA 1 132 LEU C  -98.00  -58.00  -95.06  -99.90  -82.10 1.90  6 0 "[    .    1    .    2]" 
       156 . 1 132 LEU N 1 132 LEU CA 1 132 LEU C  1 133 ALA N  110.00  158.00  121.04  142.79  137.09 0.14  4 0 "[    .    1    .    2]" 
    stop_

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