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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
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433681 |
2jv3 ![]() ![]() |
cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jv3 save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 176 _TA_constraint_stats_list.Viol_count 816 _TA_constraint_stats_list.Viol_total 48360.93 _TA_constraint_stats_list.Viol_max 11.94 _TA_constraint_stats_list.Viol_rms 1.31 _TA_constraint_stats_list.Viol_average_all_restraints 0.44 _TA_constraint_stats_list.Viol_average_violations_only 2.37 _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 3 CYS C 1 4 ALA N 1 4 ALA CA 1 4 ALA C -93.00 -43.00 -72.08 -93.04 -56.37 0.04 20 0 "[ . 1 . 2 .]" 2 . 1 5 ASP C 1 6 VAL N 1 6 VAL CA 1 6 VAL C -136.00 -46.00 -86.35 -139.39 -54.79 3.39 9 0 "[ . 1 . 2 .]" 3 . 1 6 VAL C 1 7 PRO N 1 7 PRO CA 1 7 PRO C -70.00 -50.00 -64.61 -63.84 -65.18 3.53 11 0 "[ . 1 . 2 .]" 4 . 1 8 LEU C 1 9 LEU N 1 9 LEU CA 1 9 LEU C -172.00 -42.00 -109.46 -100.05 -111.49 . . 0 "[ . 1 . 2 .]" 5 . 1 9 LEU C 1 10 THR N 1 10 THR CA 1 10 THR C -141.00 -41.00 -98.69 -52.50 -59.75 0.45 10 0 "[ . 1 . 2 .]" 6 . 1 11 PRO C 1 12 SER N 1 12 SER CA 1 12 SER C -133.00 -33.00 -118.87 -134.90 -48.31 1.90 4 0 "[ . 1 . 2 .]" 7 . 1 12 SER C 1 13 SER N 1 13 SER CA 1 13 SER C -86.00 -46.00 -91.38 -92.37 -92.59 8.30 13 16 "[****- * * *+*** 2* ***]" 8 . 1 13 SER C 1 14 LYS N 1 14 LYS CA 1 14 LYS C -85.00 -45.00 -90.02 -89.72 -89.85 8.12 16 12 "[ .* * * -* .+ * 2*****]" 9 . 1 14 LYS C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -81.00 -51.00 -62.77 -72.79 -54.85 . . 0 "[ . 1 . 2 .]" 10 . 1 15 GLU C 1 16 MET N 1 16 MET CA 1 16 MET C -79.00 -49.00 -61.28 -76.81 -50.32 . . 0 "[ . 1 . 2 .]" 11 . 1 16 MET C 1 17 MET N 1 17 MET CA 1 17 MET C -78.00 -48.00 -68.01 -72.50 -65.07 . . 0 "[ . 1 . 2 .]" 12 . 1 17 MET C 1 18 SER N 1 18 SER CA 1 18 SER C -79.00 -49.00 -54.76 -58.99 -50.39 . . 0 "[ . 1 . 2 .]" 13 . 1 18 SER C 1 19 GLN N 1 19 GLN CA 1 19 GLN C -73.00 -53.00 -76.58 -77.05 -77.22 4.70 24 0 "[ . 1 . 2 .]" 14 . 1 19 GLN C 1 20 ALA N 1 20 ALA CA 1 20 ALA C -81.00 -51.00 -72.14 -70.91 -72.05 0.61 17 0 "[ . 1 . 2 .]" 15 . 1 20 ALA C 1 21 LEU N 1 21 LEU CA 1 21 LEU C -85.00 -45.00 -70.04 -74.02 -66.12 . . 0 "[ . 1 . 2 .]" 16 . 1 21 LEU C 1 22 LYS N 1 22 LYS CA 1 22 LYS C -80.00 -50.00 -59.73 -61.98 -57.65 . . 0 "[ . 1 . 2 .]" 17 . 1 22 LYS C 1 23 ALA N 1 23 ALA CA 1 23 ALA C -75.00 -55.00 -79.16 -80.45 -78.30 5.45 2 1 "[ + . 1 . 2 .]" 18 . 1 23 ALA C 1 24 THR N 1 24 THR CA 1 24 THR C -98.00 -38.00 -74.36 -79.02 -70.46 . . 0 "[ . 1 . 2 .]" 19 . 1 24 THR C 1 25 PHE N 1 25 PHE CA 1 25 PHE C -113.00 -43.00 -53.82 -59.52 -50.36 . . 0 "[ . 1 . 2 .]" 20 . 1 25 PHE C 1 26 SER N 1 26 SER CA 1 26 SER C -87.00 -47.00 -60.93 -62.02 -62.46 . . 0 "[ . 1 . 2 .]" 21 . 1 26 SER C 1 27 GLY N 1 27 GLY CA 1 27 GLY C -86.00 -46.00 -57.30 -55.20 -55.64 . . 0 "[ . 1 . 2 .]" 22 . 1 27 GLY C 1 28 PHE N 1 28 PHE CA 1 28 PHE C -81.00 -41.00 -76.85 -83.86 -66.65 2.86 8 0 "[ . 1 . 2 .]" 23 . 1 28 PHE C 1 29 THR N 1 29 THR CA 1 29 THR C -84.00 -44.00 -57.03 -60.14 -60.87 . . 0 "[ . 1 . 2 .]" 24 . 1 29 THR C 1 30 LYS N 1 30 LYS CA 1 30 LYS C -77.00 -47.00 -78.01 -81.15 -54.75 4.15 5 0 "[ . 1 . 2 .]" 25 . 1 30 LYS C 1 31 GLU N 1 31 GLU CA 1 31 GLU C -82.00 -52.00 -83.38 -83.62 -83.82 2.98 23 0 "[ . 1 . 2 .]" 26 . 1 31 GLU C 1 32 GLN N 1 32 GLN CA 1 32 GLN C -69.00 -49.00 -54.43 -61.99 -48.74 0.26 14 0 "[ . 1 . 2 .]" 27 . 1 32 GLN C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -73.00 -53.00 -60.98 -65.61 -57.02 . . 0 "[ . 1 . 2 .]" 28 . 1 33 GLN C 1 34 ARG N 1 34 ARG CA 1 34 ARG C -80.00 -50.00 -67.25 -74.31 -60.27 . . 0 "[ . 1 . 2 .]" 29 . 1 34 ARG C 1 35 LEU N 1 35 LEU CA 1 35 LEU C -129.00 -59.00 -74.45 -73.70 -74.19 . . 0 "[ . 1 . 2 .]" 30 . 1 36 GLY C 1 37 ILE N 1 37 ILE CA 1 37 ILE C -146.00 -36.00 -81.70 -78.64 -80.15 . . 0 "[ . 1 . 2 .]" 31 . 1 37 ILE C 1 38 PRO N 1 38 PRO CA 1 38 PRO C -69.00 -49.00 -49.73 -58.88 -48.05 0.95 21 0 "[ . 1 . 2 .]" 32 . 1 41 PRO C 1 42 ARG N 1 42 ARG CA 1 42 ARG C -96.00 -46.00 -72.39 -63.60 -65.81 1.17 5 0 "[ . 1 . 2 .]" 33 . 1 43 GLN C 1 44 TRP N 1 44 TRP CA 1 44 TRP C -146.00 -86.00 -78.45 -79.86 -79.99 9.65 14 25 [-************+***********] 34 . 1 44 TRP C 1 45 THR N 1 45 THR CA 1 45 THR C -152.00 -52.00 -88.98 -93.54 -94.25 . . 0 "[ . 1 . 2 .]" 35 . 1 45 THR C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -85.00 -45.00 -58.10 -57.13 -57.50 . . 0 "[ . 1 . 2 .]" 36 . 1 46 GLU C 1 47 THR N 1 47 THR CA 1 47 THR C -76.00 -56.00 -70.55 -65.39 -68.21 1.27 22 0 "[ . 1 . 2 .]" 37 . 1 47 THR C 1 48 HIS N 1 48 HIS CA 1 48 HIS C -71.00 -51.00 -72.37 -74.10 -70.41 3.10 6 0 "[ . 1 . 2 .]" 38 . 1 48 HIS C 1 49 VAL N 1 49 VAL CA 1 49 VAL C -73.00 -53.00 -62.80 -65.55 -59.54 . . 0 "[ . 1 . 2 .]" 39 . 1 49 VAL C 1 50 ARG N 1 50 ARG CA 1 50 ARG C -73.00 -53.00 -61.87 -65.10 -57.94 . . 0 "[ . 1 . 2 .]" 40 . 1 50 ARG C 1 51 ASP N 1 51 ASP CA 1 51 ASP C -89.00 -49.00 -57.03 -53.94 -55.02 . . 0 "[ . 1 . 2 .]" 41 . 1 51 ASP C 1 52 TRP N 1 52 TRP CA 1 52 TRP C -83.00 -53.00 -72.70 -73.26 -73.33 . . 0 "[ . 1 . 2 .]" 42 . 1 52 TRP C 1 53 VAL N 1 53 VAL CA 1 53 VAL C -73.00 -53.00 -61.40 -63.27 -59.29 . . 0 "[ . 1 . 2 .]" 43 . 1 53 VAL C 1 54 MET N 1 54 MET CA 1 54 MET C -70.00 -50.00 -71.63 -72.78 -70.84 2.78 10 0 "[ . 1 . 2 .]" 44 . 1 54 MET C 1 55 TRP N 1 55 TRP CA 1 55 TRP C -74.00 -54.00 -69.30 -68.31 -68.60 . . 0 "[ . 1 . 2 .]" 45 . 1 55 TRP C 1 56 ALA N 1 56 ALA CA 1 56 ALA C -70.00 -50.00 -59.64 -58.84 -59.22 . . 0 "[ . 1 . 2 .]" 46 . 1 56 ALA C 1 57 VAL N 1 57 VAL CA 1 57 VAL C -72.00 -52.00 -58.19 -57.43 -57.89 . . 0 "[ . 1 . 2 .]" 47 . 1 57 VAL C 1 58 ASN N 1 58 ASN CA 1 58 ASN C -73.00 -53.00 -71.36 -73.84 -66.45 0.84 16 0 "[ . 1 . 2 .]" 48 . 1 58 ASN C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -74.00 -44.00 -75.63 -77.71 -72.01 3.71 6 0 "[ . 1 . 2 .]" 49 . 1 59 GLU C 1 60 PHE N 1 60 PHE CA 1 60 PHE C -126.00 -56.00 -82.20 -86.37 -88.31 . . 0 "[ . 1 . 2 .]" 50 . 1 61 SER C 1 62 LEU N 1 62 LEU CA 1 62 LEU C -123.00 -63.00 -79.98 -76.69 -84.65 . . 0 "[ . 1 . 2 .]" 51 . 1 64 GLY C 1 65 VAL N 1 65 VAL CA 1 65 VAL C -120.00 -60.00 -87.57 -97.37 -72.23 . . 0 "[ . 1 . 2 .]" 52 . 1 65 VAL C 1 66 ASP N 1 66 ASP CA 1 66 ASP C -144.00 -64.00 -82.66 -86.68 -78.25 . . 0 "[ . 1 . 2 .]" 53 . 1 66 ASP C 1 67 PHE N 1 67 PHE CA 1 67 PHE C -70.00 -50.00 -61.48 -68.13 -58.00 . . 0 "[ . 1 . 2 .]" 54 . 1 67 PHE C 1 68 GLN N 1 68 GLN CA 1 68 GLN C -88.00 -48.00 -81.40 -89.00 -71.79 1.00 10 0 "[ . 1 . 2 .]" 55 . 1 68 GLN C 1 69 LYS N 1 69 LYS CA 1 69 LYS C -86.00 -46.00 -77.08 -86.44 -69.51 0.44 20 0 "[ . 1 . 2 .]" 56 . 1 69 LYS C 1 70 PHE N 1 70 PHE CA 1 70 PHE C -123.00 -63.00 -87.85 -91.48 -93.52 . . 0 "[ . 1 . 2 .]" 57 . 1 70 PHE C 1 71 CYS N 1 71 CYS CA 1 71 CYS C -123.00 -43.00 -75.70 -93.57 -71.18 . . 0 "[ . 1 . 2 .]" 58 . 1 71 CYS C 1 72 MET N 1 72 MET CA 1 72 MET C -144.00 -54.00 -121.84 -126.16 -117.44 . . 0 "[ . 1 . 2 .]" 59 . 1 73 SER C 1 74 GLY N 1 74 GLY CA 1 74 GLY C -95.00 -35.00 -51.45 -54.09 -48.35 . . 0 "[ . 1 . 2 .]" 60 . 1 74 GLY C 1 75 ALA N 1 75 ALA CA 1 75 ALA C -83.00 -43.00 -59.90 -61.11 -62.09 . . 0 "[ . 1 . 2 .]" 61 . 1 75 ALA C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -75.00 -55.00 -71.44 -71.84 -72.05 0.39 24 0 "[ . 1 . 2 .]" 62 . 1 76 ALA C 1 77 LEU N 1 77 LEU CA 1 77 LEU C -70.00 -50.00 -48.07 -48.42 -48.51 2.60 4 0 "[ . 1 . 2 .]" 63 . 1 77 LEU C 1 78 CYS N 1 78 CYS CA 1 78 CYS C -84.00 -54.00 -65.94 -66.08 -66.63 . . 0 "[ . 1 . 2 .]" 64 . 1 78 CYS C 1 79 ALA N 1 79 ALA CA 1 79 ALA C -113.00 -53.00 -56.28 -69.88 -51.35 1.65 10 0 "[ . 1 . 2 .]" 65 . 1 81 GLY C 1 82 LYS N 1 82 LYS CA 1 82 LYS C -67.00 -47.00 -49.47 -50.07 -53.03 0.73 3 0 "[ . 1 . 2 .]" 66 . 1 82 LYS C 1 83 GLU N 1 83 GLU CA 1 83 GLU C -68.00 -48.00 -50.19 -58.66 -44.09 3.91 22 0 "[ . 1 . 2 .]" 67 . 1 83 GLU C 1 84 CYS N 1 84 CYS CA 1 84 CYS C -74.00 -54.00 -69.06 -64.52 -66.42 4.98 6 0 "[ . 1 . 2 .]" 68 . 1 84 CYS C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -73.00 -53.00 -54.42 -56.33 -52.47 0.53 22 0 "[ . 1 . 2 .]" 69 . 1 85 PHE C 1 86 LEU N 1 86 LEU CA 1 86 LEU C -76.00 -46.00 -78.06 -79.37 -77.01 3.37 7 0 "[ . 1 . 2 .]" 70 . 1 86 LEU C 1 87 GLU N 1 87 GLU CA 1 87 GLU C -93.00 -43.00 -78.81 -85.31 -63.47 . . 0 "[ . 1 . 2 .]" 71 . 1 87 GLU C 1 88 LEU N 1 88 LEU CA 1 88 LEU C -100.00 -60.00 -87.93 -92.42 -79.15 . . 0 "[ . 1 . 2 .]" 72 . 1 89 ALA C 1 90 PRO N 1 90 PRO CA 1 90 PRO C -79.00 -49.00 -50.63 -52.23 -53.21 0.34 8 0 "[ . 1 . 2 .]" 73 . 1 90 PRO C 1 91 ASP N 1 91 ASP CA 1 91 ASP C -69.00 -49.00 -53.82 -50.22 -51.48 0.94 6 0 "[ . 1 . 2 .]" 74 . 1 91 ASP C 1 92 PHE N 1 92 PHE CA 1 92 PHE C -86.00 -46.00 -90.15 -93.22 -88.07 7.22 10 5 "[ - .* * + * 2 .]" 75 . 1 92 PHE C 1 93 VAL N 1 93 VAL CA 1 93 VAL C -75.00 -55.00 -72.78 -75.51 -67.53 0.51 16 0 "[ . 1 . 2 .]" 76 . 1 93 VAL C 1 94 GLY N 1 94 GLY CA 1 94 GLY C -80.00 -50.00 -56.45 -60.20 -50.15 . . 0 "[ . 1 . 2 .]" 77 . 1 94 GLY C 1 95 ASP N 1 95 ASP CA 1 95 ASP C -76.00 -46.00 -73.69 -72.31 -73.69 0.94 1 0 "[ . 1 . 2 .]" 78 . 1 95 ASP C 1 96 ILE N 1 96 ILE CA 1 96 ILE C -87.00 -47.00 -53.11 -57.11 -50.49 . . 0 "[ . 1 . 2 .]" 79 . 1 96 ILE C 1 97 LEU N 1 97 LEU CA 1 97 LEU C -87.00 -47.00 -60.79 -62.03 -63.21 . . 0 "[ . 1 . 2 .]" 80 . 1 97 LEU C 1 98 TRP N 1 98 TRP CA 1 98 TRP C -76.00 -46.00 -61.07 -61.26 -61.49 . . 0 "[ . 1 . 2 .]" 81 . 1 98 TRP C 1 99 GLU N 1 99 GLU CA 1 99 GLU C -89.00 -49.00 -56.48 -58.70 -53.63 . . 0 "[ . 1 . 2 .]" 82 . 1 99 GLU C 1 100 HIS N 1 100 HIS CA 1 100 HIS C -80.00 -50.00 -60.38 -62.69 -58.95 . . 0 "[ . 1 . 2 .]" 83 . 1 100 HIS C 1 101 LEU N 1 101 LEU CA 1 101 LEU C -80.00 -40.00 -55.42 -54.83 -55.63 . . 0 "[ . 1 . 2 .]" 84 . 1 101 LEU C 1 102 GLU N 1 102 GLU CA 1 102 GLU C -72.00 -52.00 -66.38 -67.73 -68.09 . . 0 "[ . 1 . 2 .]" 85 . 1 102 GLU C 1 103 ILE N 1 103 ILE CA 1 103 ILE C -86.00 -46.00 -59.38 -58.89 -60.13 . . 0 "[ . 1 . 2 .]" 86 . 1 103 ILE C 1 104 LEU N 1 104 LEU CA 1 104 LEU C -83.00 -43.00 -55.84 -62.04 -52.16 . . 0 "[ . 1 . 2 .]" 87 . 1 104 LEU C 1 105 GLN N 1 105 GLN CA 1 105 GLN C -94.00 -54.00 -80.35 -94.56 -62.42 0.56 24 0 "[ . 1 . 2 .]" 88 . 1 106 LYS C 1 107 GLU N 1 107 GLU CA 1 107 GLU C -90.00 -50.00 -60.19 -90.29 -48.49 1.51 19 0 "[ . 1 . 2 .]" 89 . 1 4 ALA N 1 4 ALA CA 1 4 ALA C 1 5 ASP N -69.00 1.00 -46.82 -69.62 3.22 2.22 6 0 "[ . 1 . 2 .]" 90 . 1 6 VAL N 1 6 VAL CA 1 6 VAL C 1 7 PRO N 104.00 174.00 117.29 120.93 120.07 4.12 11 0 "[ . 1 . 2 .]" 91 . 1 7 PRO N 1 7 PRO CA 1 7 PRO C 1 8 LEU N 125.00 165.00 127.45 120.46 155.80 4.54 2 0 "[ . 1 . 2 .]" 92 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 THR N 88.00 -172.00 126.98 86.05 -170.36 1.95 7 0 "[ . 1 . 2 .]" 93 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 PRO N 108.00 178.00 121.42 124.02 118.98 5.60 21 1 "[ . 1 . 2+ .]" 94 . 1 12 SER N 1 12 SER CA 1 12 SER C 1 13 SER N -59.00 1.00 -60.91 -63.47 -64.21 6.39 13 8 "[* **. 1 *+*. 2 - *]" 95 . 1 13 SER N 1 13 SER CA 1 13 SER C 1 14 LYS N -61.00 -11.00 -69.05 -72.94 -65.35 11.94 16 23 "[**************.+** -*****]" 96 . 1 14 LYS N 1 14 LYS CA 1 14 LYS C 1 15 GLU N -65.00 -15.00 -26.09 -43.14 -18.88 . . 0 "[ . 1 . 2 .]" 97 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 MET N -66.00 -16.00 -27.72 -37.26 -15.34 0.66 6 0 "[ . 1 . 2 .]" 98 . 1 16 MET N 1 16 MET CA 1 16 MET C 1 17 MET N -66.00 -16.00 -52.47 -56.29 -57.71 . . 0 "[ . 1 . 2 .]" 99 . 1 17 MET N 1 17 MET CA 1 17 MET C 1 18 SER N -67.00 -7.00 -32.30 -33.37 -33.90 . . 0 "[ . 1 . 2 .]" 100 . 1 18 SER N 1 18 SER CA 1 18 SER C 1 19 GLN N -62.00 -12.00 -50.69 -55.53 -57.86 . . 0 "[ . 1 . 2 .]" 101 . 1 19 GLN N 1 19 GLN CA 1 19 GLN C 1 20 ALA N -60.00 -30.00 -50.26 -56.43 -45.23 . . 0 "[ . 1 . 2 .]" 102 . 1 20 ALA N 1 20 ALA CA 1 20 ALA C 1 21 LEU N -53.00 -23.00 -54.64 -56.17 -53.06 3.17 2 0 "[ . 1 . 2 .]" 103 . 1 21 LEU N 1 21 LEU CA 1 21 LEU C 1 22 LYS N -56.00 -26.00 -55.69 -57.36 -46.99 1.36 2 0 "[ . 1 . 2 .]" 104 . 1 22 LYS N 1 22 LYS CA 1 22 LYS C 1 23 ALA N -63.00 -13.00 -30.01 -29.31 -29.73 . . 0 "[ . 1 . 2 .]" 105 . 1 23 ALA N 1 23 ALA CA 1 23 ALA C 1 24 THR N -56.00 -16.00 -41.22 -42.38 -42.74 . . 0 "[ . 1 . 2 .]" 106 . 1 24 THR N 1 24 THR CA 1 24 THR C 1 25 PHE N -70.00 -10.00 -11.09 -13.81 -15.72 1.55 20 0 "[ . 1 . 2 .]" 107 . 1 25 PHE N 1 25 PHE CA 1 25 PHE C 1 26 SER N -78.00 42.00 -28.29 -33.82 -20.91 . . 0 "[ . 1 . 2 .]" 108 . 1 26 SER N 1 26 SER CA 1 26 SER C 1 27 GLY N -54.00 -4.00 -23.35 -22.11 -23.39 . . 0 "[ . 1 . 2 .]" 109 . 1 27 GLY N 1 27 GLY CA 1 27 GLY C 1 28 PHE N -65.00 -15.00 -65.49 -64.11 -64.76 2.18 13 0 "[ . 1 . 2 .]" 110 . 1 28 PHE N 1 28 PHE CA 1 28 PHE C 1 29 THR N -64.00 -4.00 -44.74 -48.83 -39.64 . . 0 "[ . 1 . 2 .]" 111 . 1 29 THR N 1 29 THR CA 1 29 THR C 1 30 LYS N -62.00 -2.00 -27.03 -42.32 -21.03 . . 0 "[ . 1 . 2 .]" 112 . 1 30 LYS N 1 30 LYS CA 1 30 LYS C 1 31 GLU N -62.00 -22.00 -42.47 -40.36 -41.61 . . 0 "[ . 1 . 2 .]" 113 . 1 31 GLU N 1 31 GLU CA 1 31 GLU C 1 32 GLN N -59.00 -19.00 -22.04 -31.25 -18.84 0.16 13 0 "[ . 1 . 2 .]" 114 . 1 32 GLN N 1 32 GLN CA 1 32 GLN C 1 33 GLN N -56.00 -36.00 -49.14 -49.00 -49.74 . . 0 "[ . 1 . 2 .]" 115 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 ARG N -56.00 -16.00 -38.02 -38.13 -38.60 . . 0 "[ . 1 . 2 .]" 116 . 1 34 ARG N 1 34 ARG CA 1 34 ARG C 1 35 LEU N -55.00 -15.00 -47.84 -55.69 -43.32 0.69 21 0 "[ . 1 . 2 .]" 117 . 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 GLY N -32.00 18.00 6.98 3.47 3.00 . . 0 "[ . 1 . 2 .]" 118 . 1 37 ILE N 1 37 ILE CA 1 37 ILE C 1 38 PRO N 107.00 177.00 123.08 122.54 121.67 . . 0 "[ . 1 . 2 .]" 119 . 1 38 PRO N 1 38 PRO CA 1 38 PRO C 1 39 LYS N 122.00 172.00 133.84 119.62 140.70 2.38 3 0 "[ . 1 . 2 .]" 120 . 1 42 ARG N 1 42 ARG CA 1 42 ARG C 1 43 GLN N -53.00 7.00 4.83 8.51 7.77 2.96 2 0 "[ . 1 . 2 .]" 121 . 1 44 TRP N 1 44 TRP CA 1 44 TRP C 1 45 THR N 105.00 165.00 160.58 155.99 164.31 . . 0 "[ . 1 . 2 .]" 122 . 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 GLU N 131.00 -169.00 171.76 173.53 173.05 . . 0 "[ . 1 . 2 .]" 123 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 THR N -54.00 -14.00 -32.44 -48.51 -15.55 . . 0 "[ . 1 . 2 .]" 124 . 1 47 THR N 1 47 THR CA 1 47 THR C 1 48 HIS N -57.00 -27.00 -39.77 -45.14 -45.19 . . 0 "[ . 1 . 2 .]" 125 . 1 48 HIS N 1 48 HIS CA 1 48 HIS C 1 49 VAL N -56.00 -36.00 -40.33 -39.36 -40.27 0.43 3 0 "[ . 1 . 2 .]" 126 . 1 49 VAL N 1 49 VAL CA 1 49 VAL C 1 50 ARG N -59.00 -29.00 -53.00 -52.89 -53.11 . . 0 "[ . 1 . 2 .]" 127 . 1 50 ARG N 1 50 ARG CA 1 50 ARG C 1 51 ASP N -56.00 -26.00 -31.82 -43.34 -25.89 0.11 23 0 "[ . 1 . 2 .]" 128 . 1 51 ASP N 1 51 ASP CA 1 51 ASP C 1 52 TRP N -57.00 -17.00 -53.05 -56.92 -49.29 . . 0 "[ . 1 . 2 .]" 129 . 1 52 TRP N 1 52 TRP CA 1 52 TRP C 1 53 VAL N -63.00 -23.00 -29.73 -29.81 -29.96 . . 0 "[ . 1 . 2 .]" 130 . 1 53 VAL N 1 53 VAL CA 1 53 VAL C 1 54 MET N -57.00 -27.00 -57.89 -58.30 -58.40 1.61 24 0 "[ . 1 . 2 .]" 131 . 1 54 MET N 1 54 MET CA 1 54 MET C 1 55 TRP N -58.00 -18.00 -15.20 -15.89 -13.69 4.31 1 0 "[ . 1 . 2 .]" 132 . 1 55 TRP N 1 55 TRP CA 1 55 TRP C 1 56 ALA N -59.00 -29.00 -58.99 -59.69 -59.75 1.84 17 0 "[ . 1 . 2 .]" 133 . 1 56 ALA N 1 56 ALA CA 1 56 ALA C 1 57 VAL N -58.00 -28.00 -36.40 -39.85 -33.22 . . 0 "[ . 1 . 2 .]" 134 . 1 57 VAL N 1 57 VAL CA 1 57 VAL C 1 58 ASN N -61.00 -21.00 -54.97 -54.32 -55.75 . . 0 "[ . 1 . 2 .]" 135 . 1 58 ASN N 1 58 ASN CA 1 58 ASN C 1 59 GLU N -54.00 -24.00 -21.85 -20.18 -20.51 3.82 2 0 "[ . 1 . 2 .]" 136 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 PHE N -51.00 -21.00 -38.30 -34.80 -35.63 . . 0 "[ . 1 . 2 .]" 137 . 1 60 PHE N 1 60 PHE CA 1 60 PHE C 1 61 SER N -29.00 31.00 0.08 -2.26 -3.70 . . 0 "[ . 1 . 2 .]" 138 . 1 62 LEU N 1 62 LEU CA 1 62 LEU C 1 63 LYS N -42.00 28.00 -26.71 -46.51 20.67 4.51 22 0 "[ . 1 . 2 .]" 139 . 1 65 VAL N 1 65 VAL CA 1 65 VAL C 1 66 ASP N 107.00 147.00 135.38 129.81 140.48 . . 0 "[ . 1 . 2 .]" 140 . 1 66 ASP N 1 66 ASP CA 1 66 ASP C 1 67 PHE N 62.00 162.00 96.73 101.55 101.28 . . 0 "[ . 1 . 2 .]" 141 . 1 67 PHE N 1 67 PHE CA 1 67 PHE C 1 68 GLN N -51.00 -11.00 -21.32 -19.00 -19.39 . . 0 "[ . 1 . 2 .]" 142 . 1 68 GLN N 1 68 GLN CA 1 68 GLN C 1 69 LYS N -60.00 -20.00 -28.59 -35.12 -18.01 1.99 15 0 "[ . 1 . 2 .]" 143 . 1 69 LYS N 1 69 LYS CA 1 69 LYS C 1 70 PHE N -59.00 1.00 -26.18 -29.28 -22.60 . . 0 "[ . 1 . 2 .]" 144 . 1 70 PHE N 1 70 PHE CA 1 70 PHE C 1 71 CYS N -52.00 28.00 22.61 24.33 23.15 0.40 18 0 "[ . 1 . 2 .]" 145 . 1 71 CYS N 1 71 CYS CA 1 71 CYS C 1 72 MET N 82.00 -178.00 80.26 78.13 90.82 3.87 3 0 "[ . 1 . 2 .]" 146 . 1 72 MET N 1 72 MET CA 1 72 MET C 1 73 SER N 125.00 -175.00 134.94 130.98 144.01 . . 0 "[ . 1 . 2 .]" 147 . 1 74 GLY N 1 74 GLY CA 1 74 GLY C 1 75 ALA N -65.00 -25.00 -41.04 -46.96 -36.62 . . 0 "[ . 1 . 2 .]" 148 . 1 75 ALA N 1 75 ALA CA 1 75 ALA C 1 76 ALA N -68.00 -18.00 -37.69 -41.34 -33.96 . . 0 "[ . 1 . 2 .]" 149 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 LEU N -53.00 -23.00 -42.93 -41.09 -41.82 . . 0 "[ . 1 . 2 .]" 150 . 1 77 LEU N 1 77 LEU CA 1 77 LEU C 1 78 CYS N -55.00 -35.00 -50.47 -57.03 -43.79 2.03 25 0 "[ . 1 . 2 .]" 151 . 1 78 CYS N 1 78 CYS CA 1 78 CYS C 1 79 ALA N -55.00 -5.00 -51.13 -50.16 -50.95 0.68 23 0 "[ . 1 . 2 .]" 152 . 1 79 ALA N 1 79 ALA CA 1 79 ALA C 1 80 LEU N -75.00 15.00 -28.07 -28.80 -29.34 . . 0 "[ . 1 . 2 .]" 153 . 1 82 LYS N 1 82 LYS CA 1 82 LYS C 1 83 GLU N -60.00 -20.00 -51.94 -61.47 -33.60 1.47 16 0 "[ . 1 . 2 .]" 154 . 1 83 GLU N 1 83 GLU CA 1 83 GLU C 1 84 CYS N -59.00 -29.00 -53.15 -60.40 -35.63 1.40 3 0 "[ . 1 . 2 .]" 155 . 1 84 CYS N 1 84 CYS CA 1 84 CYS C 1 85 PHE N -49.00 -29.00 -47.99 -48.11 -49.10 2.27 6 0 "[ . 1 . 2 .]" 156 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 LEU N -57.00 -27.00 -44.72 -47.77 -41.11 . . 0 "[ . 1 . 2 .]" 157 . 1 86 LEU N 1 86 LEU CA 1 86 LEU C 1 87 GLU N -58.00 -18.00 -20.93 -21.87 -22.31 0.72 19 0 "[ . 1 . 2 .]" 158 . 1 87 GLU N 1 87 GLU CA 1 87 GLU C 1 88 LEU N -62.00 -12.00 -16.32 -15.38 -15.82 0.59 12 0 "[ . 1 . 2 .]" 159 . 1 88 LEU N 1 88 LEU CA 1 88 LEU C 1 89 ALA N -55.00 5.00 -24.95 -30.33 -19.22 . . 0 "[ . 1 . 2 .]" 160 . 1 90 PRO N 1 90 PRO CA 1 90 PRO C 1 91 ASP N 132.00 162.00 138.71 131.25 142.95 0.75 10 0 "[ . 1 . 2 .]" 161 . 1 91 ASP N 1 91 ASP CA 1 91 ASP C 1 92 PHE N -55.00 -15.00 -22.71 -36.76 -13.93 1.07 8 0 "[ . 1 . 2 .]" 162 . 1 92 PHE N 1 92 PHE CA 1 92 PHE C 1 93 VAL N -69.00 -9.00 -37.11 -34.14 -36.63 . . 0 "[ . 1 . 2 .]" 163 . 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 GLY N -64.00 -14.00 -39.87 -41.57 -41.84 . . 0 "[ . 1 . 2 .]" 164 . 1 94 GLY N 1 94 GLY CA 1 94 GLY C 1 95 ASP N -59.00 -19.00 -45.11 -43.40 -43.77 . . 0 "[ . 1 . 2 .]" 165 . 1 95 ASP N 1 95 ASP CA 1 95 ASP C 1 96 ILE N -56.00 -36.00 -37.42 -45.46 -33.83 2.17 14 0 "[ . 1 . 2 .]" 166 . 1 96 ILE N 1 96 ILE CA 1 96 ILE C 1 97 LEU N -64.00 -24.00 -60.34 -58.58 -58.88 0.02 25 0 "[ . 1 . 2 .]" 167 . 1 97 LEU N 1 97 LEU CA 1 97 LEU C 1 98 TRP N -56.00 -16.00 -40.82 -42.52 -38.95 . . 0 "[ . 1 . 2 .]" 168 . 1 98 TRP N 1 98 TRP CA 1 98 TRP C 1 99 GLU N -50.00 -30.00 -38.80 -36.80 -37.32 . . 0 "[ . 1 . 2 .]" 169 . 1 99 GLU N 1 99 GLU CA 1 99 GLU C 1 100 HIS N -63.00 -13.00 -59.42 -58.98 -59.31 . . 0 "[ . 1 . 2 .]" 170 . 1 100 HIS N 1 100 HIS CA 1 100 HIS C 1 101 LEU N -63.00 -23.00 -32.46 -35.64 -29.62 . . 0 "[ . 1 . 2 .]" 171 . 1 101 LEU N 1 101 LEU CA 1 101 LEU C 1 102 GLU N -62.00 -22.00 -49.77 -54.34 -47.09 . . 0 "[ . 1 . 2 .]" 172 . 1 102 GLU N 1 102 GLU CA 1 102 GLU C 1 103 ILE N -49.00 -29.00 -41.54 -50.76 -31.63 1.76 3 0 "[ . 1 . 2 .]" 173 . 1 103 ILE N 1 103 ILE CA 1 103 ILE C 1 104 LEU N -57.00 -27.00 -43.28 -34.71 -39.54 . . 0 "[ . 1 . 2 .]" 174 . 1 104 LEU N 1 104 LEU CA 1 104 LEU C 1 105 GLN N -54.00 -24.00 -38.62 -45.24 -34.96 . . 0 "[ . 1 . 2 .]" 175 . 1 105 GLN N 1 105 GLN CA 1 105 GLN C 1 106 LYS N -66.00 -6.00 -31.55 -20.81 -23.33 . . 0 "[ . 1 . 2 .]" 176 . 1 107 GLU N 1 107 GLU CA 1 107 GLU C 1 108 ASP N -71.00 -1.00 -25.57 -57.07 4.22 5.22 14 1 "[ . 1 +. 2 .]" stop_ save_
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