NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
601374 | 2n0a | 25518 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n0a save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 40 _Distance_constraint_stats_list.Viol_count 7 _Distance_constraint_stats_list.Viol_total 0.006 _Distance_constraint_stats_list.Viol_max 0.002 _Distance_constraint_stats_list.Viol_rms 0.0004 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0002 _Distance_constraint_stats_list.Viol_average_violations_only 0.0009 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 2 47 GLY 0.000 0.000 . 0 "[ ]" 2 49 VAL 0.000 0.000 . 0 "[ ]" 2 69 ALA 0.001 0.001 1 0 "[ ]" 2 78 ALA 0.000 0.000 . 0 "[ ]" 2 93 GLY 0.000 0.000 . 0 "[ ]" 2 94 PHE 0.001 0.001 1 0 "[ ]" 3 47 GLY 0.000 0.000 . 0 "[ ]" 3 49 VAL 0.000 0.000 . 0 "[ ]" 3 69 ALA 0.000 0.000 1 0 "[ ]" 3 78 ALA 0.000 0.000 . 0 "[ ]" 3 93 GLY 0.000 0.000 . 0 "[ ]" 3 94 PHE 0.000 0.000 1 0 "[ ]" 4 47 GLY 0.000 0.000 . 0 "[ ]" 4 49 VAL 0.000 0.000 . 0 "[ ]" 4 69 ALA 0.001 0.001 1 0 "[ ]" 4 78 ALA 0.000 0.000 . 0 "[ ]" 4 93 GLY 0.000 0.000 . 0 "[ ]" 4 94 PHE 0.001 0.001 1 0 "[ ]" 5 47 GLY 0.000 0.000 . 0 "[ ]" 5 49 VAL 0.000 0.000 . 0 "[ ]" 5 69 ALA 0.001 0.001 1 0 "[ ]" 5 78 ALA 0.000 0.000 . 0 "[ ]" 5 93 GLY 0.000 0.000 . 0 "[ ]" 5 94 PHE 0.001 0.001 1 0 "[ ]" 6 47 GLY 0.000 0.000 . 0 "[ ]" 6 49 VAL 0.000 0.000 . 0 "[ ]" 6 69 ALA 0.002 0.002 1 0 "[ ]" 6 78 ALA 0.000 0.000 . 0 "[ ]" 6 93 GLY 0.000 0.000 . 0 "[ ]" 6 94 PHE 0.002 0.002 1 0 "[ ]" 7 47 GLY 0.000 0.000 . 0 "[ ]" 7 49 VAL 0.000 0.000 . 0 "[ ]" 7 69 ALA 0.002 0.002 1 0 "[ ]" 7 78 ALA 0.000 0.000 . 0 "[ ]" 7 93 GLY 0.000 0.000 . 0 "[ ]" 7 94 PHE 0.002 0.002 1 0 "[ ]" 8 47 GLY 0.000 0.000 . 0 "[ ]" 8 49 VAL 0.000 0.000 . 0 "[ ]" 8 69 ALA 0.000 0.000 1 0 "[ ]" 8 78 ALA 0.000 0.000 . 0 "[ ]" 8 93 GLY 0.000 0.000 . 0 "[ ]" 8 94 PHE 0.000 0.000 1 0 "[ ]" 9 47 GLY 0.000 0.000 . 0 "[ ]" 9 49 VAL 0.000 0.000 . 0 "[ ]" 9 69 ALA 0.000 0.000 . 0 "[ ]" 9 78 ALA 0.000 0.000 . 0 "[ ]" 9 93 GLY 0.000 0.000 . 0 "[ ]" 9 94 PHE 0.000 0.000 . 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 2 47 GLY CA 2 78 ALA CB 3.000 . 4.500 3.960 3.960 3.960 . 0 0 "[ ]" 1 2 3 47 GLY CA 3 78 ALA CB 3.000 . 4.500 3.964 3.964 3.964 . 0 0 "[ ]" 1 3 4 47 GLY CA 4 78 ALA CB 3.000 . 4.500 3.969 3.969 3.969 . 0 0 "[ ]" 1 4 5 47 GLY CA 5 78 ALA CB 3.000 . 4.500 3.973 3.973 3.973 . 0 0 "[ ]" 1 5 6 47 GLY CA 6 78 ALA CB 3.000 . 4.500 3.975 3.975 3.975 . 0 0 "[ ]" 1 6 7 47 GLY CA 7 78 ALA CB 3.000 . 4.500 3.979 3.979 3.979 . 0 0 "[ ]" 1 7 8 47 GLY CA 8 78 ALA CB 3.000 . 4.500 3.984 3.984 3.984 . 0 0 "[ ]" 1 8 9 47 GLY CA 9 78 ALA CB 3.000 . 4.500 3.990 3.990 3.990 . 0 0 "[ ]" 1 9 2 49 VAL CG1 2 78 ALA CB 3.000 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1 10 3 49 VAL CG1 3 78 ALA CB 3.000 . 5.000 4.443 4.443 4.443 . 0 0 "[ ]" 1 11 4 49 VAL CG1 4 78 ALA CB 3.000 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1 12 5 49 VAL CG1 5 78 ALA CB 3.000 . 5.000 4.436 4.436 4.436 . 0 0 "[ ]" 1 13 6 49 VAL CG1 6 78 ALA CB 3.000 . 5.000 4.434 4.434 4.434 . 0 0 "[ ]" 1 14 7 49 VAL CG1 7 78 ALA CB 3.000 . 5.000 4.433 4.433 4.433 . 0 0 "[ ]" 1 15 8 49 VAL CG1 8 78 ALA CB 3.000 . 5.000 4.431 4.431 4.431 . 0 0 "[ ]" 1 16 9 49 VAL CG1 9 78 ALA CB 3.000 . 5.000 4.428 4.428 4.428 . 0 0 "[ ]" 1 17 2 69 ALA CB 2 93 GLY CA 3.000 . 4.500 3.556 3.556 3.556 . 0 0 "[ ]" 1 18 3 69 ALA CB 3 93 GLY CA 3.000 . 4.500 3.556 3.556 3.556 . 0 0 "[ ]" 1 19 4 69 ALA CB 4 93 GLY CA 3.000 . 4.500 3.555 3.555 3.555 . 0 0 "[ ]" 1 20 5 69 ALA CB 5 93 GLY CA 3.000 . 4.500 3.556 3.556 3.556 . 0 0 "[ ]" 1 21 6 69 ALA CB 6 93 GLY CA 3.000 . 4.500 3.556 3.556 3.556 . 0 0 "[ ]" 1 22 7 69 ALA CB 7 93 GLY CA 3.000 . 4.500 3.555 3.555 3.555 . 0 0 "[ ]" 1 23 8 69 ALA CB 8 93 GLY CA 3.000 . 4.500 3.554 3.554 3.554 . 0 0 "[ ]" 1 24 9 69 ALA CB 9 93 GLY CA 3.000 . 4.500 3.552 3.552 3.552 . 0 0 "[ ]" 1 25 2 69 ALA CB 2 93 GLY C 3.000 . 5.000 3.670 3.670 3.670 . 0 0 "[ ]" 1 26 3 69 ALA CB 3 93 GLY C 3.000 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1 27 4 69 ALA CB 4 93 GLY C 3.000 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1 28 5 69 ALA CB 5 93 GLY C 3.000 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 1 29 6 69 ALA CB 6 93 GLY C 3.000 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 1 30 7 69 ALA CB 7 93 GLY C 3.000 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 1 31 8 69 ALA CB 8 93 GLY C 3.000 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 1 32 9 69 ALA CB 9 93 GLY C 3.000 . 5.000 3.670 3.670 3.670 . 0 0 "[ ]" 1 33 2 69 ALA CB 2 94 PHE CA 3.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1 34 3 69 ALA CB 3 94 PHE CA 3.000 . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1 35 4 69 ALA CB 4 94 PHE CA 3.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1 36 5 69 ALA CB 5 94 PHE CA 3.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1 37 6 69 ALA CB 6 94 PHE CA 3.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1 38 7 69 ALA CB 7 94 PHE CA 3.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1 39 8 69 ALA CB 8 94 PHE CA 3.000 . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1 40 9 69 ALA CB 9 94 PHE CA 3.000 . 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 833 _Distance_constraint_stats_list.Viol_count 833 _Distance_constraint_stats_list.Viol_total 16.777 _Distance_constraint_stats_list.Viol_max 0.074 _Distance_constraint_stats_list.Viol_rms 0.0139 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0201 _Distance_constraint_stats_list.Viol_average_violations_only 0.0201 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 2 41 GLY 0.189 0.073 1 0 "[ ]" 2 42 SER 0.134 0.048 1 0 "[ ]" 2 43 LYS 0.105 0.037 1 0 "[ ]" 2 44 THR 0.086 0.030 1 0 "[ ]" 2 45 LYS 0.063 0.023 1 0 "[ ]" 2 46 GLU 0.048 0.019 1 0 "[ ]" 2 47 GLY 0.023 0.010 1 0 "[ ]" 2 48 VAL 0.022 0.008 1 0 "[ ]" 2 49 VAL 0.022 0.014 1 0 "[ ]" 2 52 VAL 0.041 0.015 1 0 "[ ]" 2 53 ALA 0.042 0.017 1 0 "[ ]" 2 54 THR 0.068 0.025 1 0 "[ ]" 2 55 VAL 0.099 0.040 1 0 "[ ]" 2 63 VAL 0.167 0.061 1 0 "[ ]" 2 64 THR 0.117 0.043 1 0 "[ ]" 2 65 ASN 0.107 0.037 1 0 "[ ]" 2 66 VAL 0.091 0.031 1 0 "[ ]" 2 68 GLY 0.067 0.027 1 0 "[ ]" 2 69 ALA 0.042 0.015 1 0 "[ ]" 2 70 VAL 0.044 0.016 1 0 "[ ]" 2 71 VAL 0.036 0.012 1 0 "[ ]" 2 72 THR 0.045 0.016 1 0 "[ ]" 2 73 GLY 0.042 0.015 1 0 "[ ]" 2 74 VAL 0.031 0.011 1 0 "[ ]" 2 75 THR 0.022 0.008 1 0 "[ ]" 2 76 ALA 0.032 0.012 1 0 "[ ]" 2 77 VAL 0.033 0.012 1 0 "[ ]" 2 78 ALA 0.018 0.007 1 0 "[ ]" 2 79 GLN 0.024 0.010 1 0 "[ ]" 2 81 THR 0.051 0.018 1 0 "[ ]" 2 82 VAL 0.054 0.018 1 0 "[ ]" 2 83 GLU 0.058 0.021 1 0 "[ ]" 2 84 GLY 0.064 0.022 1 0 "[ ]" 2 90 ALA 0.009 0.004 1 0 "[ ]" 2 91 ALA 0.013 0.005 1 0 "[ ]" 2 92 THR 0.012 0.005 1 0 "[ ]" 2 93 GLY 0.018 0.007 1 0 "[ ]" 2 94 PHE 0.032 0.013 1 0 "[ ]" 2 95 VAL 0.056 0.021 1 0 "[ ]" 2 96 LYS 0.078 0.030 1 0 "[ ]" 3 41 GLY 0.383 0.074 1 0 "[ ]" 3 42 SER 0.275 0.052 1 0 "[ ]" 3 43 LYS 0.216 0.040 1 0 "[ ]" 3 44 THR 0.173 0.031 1 0 "[ ]" 3 45 LYS 0.127 0.023 1 0 "[ ]" 3 46 GLU 0.098 0.019 1 0 "[ ]" 3 47 GLY 0.048 0.011 1 0 "[ ]" 3 48 VAL 0.051 0.011 1 0 "[ ]" 3 49 VAL 0.048 0.015 1 0 "[ ]" 3 52 VAL 0.086 0.016 1 0 "[ ]" 3 53 ALA 0.086 0.018 1 0 "[ ]" 3 54 THR 0.140 0.026 1 0 "[ ]" 3 55 VAL 0.200 0.041 1 0 "[ ]" 3 63 VAL 0.342 0.064 1 0 "[ ]" 3 64 THR 0.239 0.045 1 0 "[ ]" 3 65 ASN 0.219 0.040 1 0 "[ ]" 3 66 VAL 0.185 0.032 1 0 "[ ]" 3 68 GLY 0.133 0.027 1 0 "[ ]" 3 69 ALA 0.083 0.016 1 0 "[ ]" 3 70 VAL 0.088 0.016 1 0 "[ ]" 3 71 VAL 0.074 0.013 1 0 "[ ]" 3 72 THR 0.088 0.016 1 0 "[ ]" 3 73 GLY 0.089 0.017 1 0 "[ ]" 3 74 VAL 0.067 0.013 1 0 "[ ]" 3 75 THR 0.047 0.009 1 0 "[ ]" 3 76 ALA 0.064 0.012 1 0 "[ ]" 3 77 VAL 0.065 0.012 1 0 "[ ]" 3 78 ALA 0.039 0.007 1 0 "[ ]" 3 79 GLN 0.051 0.010 1 0 "[ ]" 3 81 THR 0.105 0.019 1 0 "[ ]" 3 82 VAL 0.111 0.020 1 0 "[ ]" 3 83 GLU 0.119 0.021 1 0 "[ ]" 3 84 GLY 0.134 0.025 1 0 "[ ]" 3 90 ALA 0.022 0.005 1 0 "[ ]" 3 91 ALA 0.026 0.005 1 0 "[ ]" 3 92 THR 0.029 0.007 1 0 "[ ]" 3 93 GLY 0.040 0.008 1 0 "[ ]" 3 94 PHE 0.067 0.015 1 0 "[ ]" 3 95 VAL 0.118 0.023 1 0 "[ ]" 3 96 LYS 0.162 0.039 1 0 "[ ]" 4 41 GLY 0.390 0.074 1 0 "[ ]" 4 42 SER 0.281 0.052 1 0 "[ ]" 4 43 LYS 0.217 0.040 1 0 "[ ]" 4 44 THR 0.170 0.031 1 0 "[ ]" 4 45 LYS 0.126 0.023 1 0 "[ ]" 4 46 GLU 0.096 0.018 1 0 "[ ]" 4 47 GLY 0.050 0.011 1 0 "[ ]" 4 48 VAL 0.059 0.012 1 0 "[ ]" 4 49 VAL 0.052 0.015 1 0 "[ ]" 4 52 VAL 0.091 0.016 1 0 "[ ]" 4 53 ALA 0.089 0.018 1 0 "[ ]" 4 54 THR 0.141 0.026 1 0 "[ ]" 4 55 VAL 0.201 0.041 1 0 "[ ]" 4 63 VAL 0.349 0.064 1 0 "[ ]" 4 64 THR 0.244 0.046 1 0 "[ ]" 4 65 ASN 0.224 0.040 1 0 "[ ]" 4 66 VAL 0.189 0.033 1 0 "[ ]" 4 68 GLY 0.135 0.027 1 0 "[ ]" 4 69 ALA 0.087 0.017 1 0 "[ ]" 4 70 VAL 0.091 0.017 1 0 "[ ]" 4 71 VAL 0.074 0.014 1 0 "[ ]" 4 72 THR 0.088 0.015 1 0 "[ ]" 4 73 GLY 0.094 0.017 1 0 "[ ]" 4 74 VAL 0.071 0.013 1 0 "[ ]" 4 75 THR 0.055 0.011 1 0 "[ ]" 4 76 ALA 0.069 0.013 1 0 "[ ]" 4 77 VAL 0.063 0.012 1 0 "[ ]" 4 78 ALA 0.042 0.008 1 0 "[ ]" 4 79 GLN 0.056 0.011 1 0 "[ ]" 4 81 THR 0.106 0.019 1 0 "[ ]" 4 82 VAL 0.112 0.020 1 0 "[ ]" 4 83 GLU 0.120 0.021 1 0 "[ ]" 4 84 GLY 0.142 0.025 1 0 "[ ]" 4 90 ALA 0.027 0.006 1 0 "[ ]" 4 91 ALA 0.027 0.005 1 0 "[ ]" 4 92 THR 0.034 0.007 1 0 "[ ]" 4 93 GLY 0.043 0.008 1 0 "[ ]" 4 94 PHE 0.070 0.015 1 0 "[ ]" 4 95 VAL 0.129 0.025 1 0 "[ ]" 4 96 LYS 0.153 0.039 1 0 "[ ]" 5 41 GLY 0.383 0.073 1 0 "[ ]" 5 42 SER 0.277 0.052 1 0 "[ ]" 5 43 LYS 0.211 0.038 1 0 "[ ]" 5 44 THR 0.166 0.031 1 0 "[ ]" 5 45 LYS 0.122 0.023 1 0 "[ ]" 5 46 GLU 0.095 0.018 1 0 "[ ]" 5 47 GLY 0.055 0.013 1 0 "[ ]" 5 48 VAL 0.060 0.012 1 0 "[ ]" 5 49 VAL 0.052 0.015 1 0 "[ ]" 5 52 VAL 0.092 0.016 1 0 "[ ]" 5 53 ALA 0.091 0.017 1 0 "[ ]" 5 54 THR 0.136 0.025 1 0 "[ ]" 5 55 VAL 0.200 0.041 1 0 "[ ]" 5 63 VAL 0.346 0.064 1 0 "[ ]" 5 64 THR 0.246 0.046 1 0 "[ ]" 5 65 ASN 0.229 0.041 1 0 "[ ]" 5 66 VAL 0.195 0.034 1 0 "[ ]" 5 68 GLY 0.142 0.028 1 0 "[ ]" 5 69 ALA 0.097 0.018 1 0 "[ ]" 5 70 VAL 0.100 0.018 1 0 "[ ]" 5 71 VAL 0.075 0.014 1 0 "[ ]" 5 72 THR 0.089 0.016 1 0 "[ ]" 5 73 GLY 0.094 0.017 1 0 "[ ]" 5 74 VAL 0.073 0.014 1 0 "[ ]" 5 75 THR 0.061 0.012 1 0 "[ ]" 5 76 ALA 0.073 0.013 1 0 "[ ]" 5 77 VAL 0.060 0.012 1 0 "[ ]" 5 78 ALA 0.044 0.008 1 0 "[ ]" 5 79 GLN 0.060 0.013 1 0 "[ ]" 5 81 THR 0.111 0.020 1 0 "[ ]" 5 82 VAL 0.114 0.020 1 0 "[ ]" 5 83 GLU 0.125 0.024 1 0 "[ ]" 5 84 GLY 0.146 0.025 1 0 "[ ]" 5 90 ALA 0.031 0.007 1 0 "[ ]" 5 91 ALA 0.033 0.008 1 0 "[ ]" 5 92 THR 0.036 0.008 1 0 "[ ]" 5 93 GLY 0.044 0.010 1 0 "[ ]" 5 94 PHE 0.069 0.015 1 0 "[ ]" 5 95 VAL 0.132 0.025 1 0 "[ ]" 5 96 LYS 0.159 0.037 1 0 "[ ]" 6 41 GLY 0.368 0.069 1 0 "[ ]" 6 42 SER 0.276 0.051 1 0 "[ ]" 6 43 LYS 0.212 0.039 1 0 "[ ]" 6 44 THR 0.166 0.030 1 0 "[ ]" 6 45 LYS 0.118 0.022 1 0 "[ ]" 6 46 GLU 0.099 0.018 1 0 "[ ]" 6 47 GLY 0.059 0.013 1 0 "[ ]" 6 48 VAL 0.058 0.011 1 0 "[ ]" 6 49 VAL 0.050 0.014 1 0 "[ ]" 6 52 VAL 0.095 0.017 1 0 "[ ]" 6 53 ALA 0.092 0.017 1 0 "[ ]" 6 54 THR 0.137 0.026 1 0 "[ ]" 6 55 VAL 0.200 0.041 1 0 "[ ]" 6 63 VAL 0.347 0.064 1 0 "[ ]" 6 64 THR 0.247 0.045 1 0 "[ ]" 6 65 ASN 0.230 0.041 1 0 "[ ]" 6 66 VAL 0.197 0.034 1 0 "[ ]" 6 68 GLY 0.141 0.028 1 0 "[ ]" 6 69 ALA 0.100 0.018 1 0 "[ ]" 6 70 VAL 0.099 0.018 1 0 "[ ]" 6 71 VAL 0.074 0.014 1 0 "[ ]" 6 72 THR 0.085 0.016 1 0 "[ ]" 6 73 GLY 0.091 0.017 1 0 "[ ]" 6 74 VAL 0.078 0.014 1 0 "[ ]" 6 75 THR 0.064 0.012 1 0 "[ ]" 6 76 ALA 0.077 0.014 1 0 "[ ]" 6 77 VAL 0.060 0.012 1 0 "[ ]" 6 78 ALA 0.047 0.008 1 0 "[ ]" 6 79 GLN 0.062 0.013 1 0 "[ ]" 6 81 THR 0.117 0.020 1 0 "[ ]" 6 82 VAL 0.115 0.020 1 0 "[ ]" 6 83 GLU 0.134 0.024 1 0 "[ ]" 6 84 GLY 0.148 0.025 1 0 "[ ]" 6 90 ALA 0.029 0.007 1 0 "[ ]" 6 91 ALA 0.039 0.008 1 0 "[ ]" 6 92 THR 0.041 0.008 1 0 "[ ]" 6 93 GLY 0.041 0.010 1 0 "[ ]" 6 94 PHE 0.070 0.015 1 0 "[ ]" 6 95 VAL 0.125 0.024 1 0 "[ ]" 6 96 LYS 0.186 0.041 1 0 "[ ]" 7 41 GLY 0.357 0.069 1 0 "[ ]" 7 42 SER 0.278 0.051 1 0 "[ ]" 7 43 LYS 0.215 0.039 1 0 "[ ]" 7 44 THR 0.163 0.030 1 0 "[ ]" 7 45 LYS 0.112 0.020 1 0 "[ ]" 7 46 GLU 0.093 0.018 1 0 "[ ]" 7 47 GLY 0.055 0.011 1 0 "[ ]" 7 48 VAL 0.052 0.011 1 0 "[ ]" 7 49 VAL 0.047 0.014 1 0 "[ ]" 7 52 VAL 0.096 0.017 1 0 "[ ]" 7 53 ALA 0.094 0.017 1 0 "[ ]" 7 54 THR 0.139 0.026 1 0 "[ ]" 7 55 VAL 0.198 0.040 1 0 "[ ]" 7 63 VAL 0.346 0.064 1 0 "[ ]" 7 64 THR 0.247 0.046 1 0 "[ ]" 7 65 ASN 0.225 0.040 1 0 "[ ]" 7 66 VAL 0.193 0.034 1 0 "[ ]" 7 68 GLY 0.132 0.026 1 0 "[ ]" 7 69 ALA 0.096 0.017 1 0 "[ ]" 7 70 VAL 0.096 0.018 1 0 "[ ]" 7 71 VAL 0.067 0.013 1 0 "[ ]" 7 72 THR 0.081 0.015 1 0 "[ ]" 7 73 GLY 0.086 0.015 1 0 "[ ]" 7 74 VAL 0.075 0.014 1 0 "[ ]" 7 75 THR 0.060 0.011 1 0 "[ ]" 7 76 ALA 0.079 0.014 1 0 "[ ]" 7 77 VAL 0.057 0.011 1 0 "[ ]" 7 78 ALA 0.046 0.008 1 0 "[ ]" 7 79 GLN 0.061 0.013 1 0 "[ ]" 7 81 THR 0.111 0.020 1 0 "[ ]" 7 82 VAL 0.109 0.019 1 0 "[ ]" 7 83 GLU 0.128 0.024 1 0 "[ ]" 7 84 GLY 0.135 0.025 1 0 "[ ]" 7 90 ALA 0.024 0.005 1 0 "[ ]" 7 91 ALA 0.035 0.007 1 0 "[ ]" 7 92 THR 0.038 0.008 1 0 "[ ]" 7 93 GLY 0.034 0.007 1 0 "[ ]" 7 94 PHE 0.064 0.014 1 0 "[ ]" 7 95 VAL 0.119 0.023 1 0 "[ ]" 7 96 LYS 0.170 0.041 1 0 "[ ]" 8 41 GLY 0.350 0.068 1 0 "[ ]" 8 42 SER 0.274 0.049 1 0 "[ ]" 8 43 LYS 0.219 0.040 1 0 "[ ]" 8 44 THR 0.163 0.030 1 0 "[ ]" 8 45 LYS 0.112 0.021 1 0 "[ ]" 8 46 GLU 0.086 0.017 1 0 "[ ]" 8 47 GLY 0.049 0.009 1 0 "[ ]" 8 48 VAL 0.049 0.009 1 0 "[ ]" 8 49 VAL 0.047 0.013 1 0 "[ ]" 8 52 VAL 0.101 0.019 1 0 "[ ]" 8 53 ALA 0.100 0.020 1 0 "[ ]" 8 54 THR 0.138 0.025 1 0 "[ ]" 8 55 VAL 0.196 0.040 1 0 "[ ]" 8 63 VAL 0.339 0.063 1 0 "[ ]" 8 64 THR 0.243 0.046 1 0 "[ ]" 8 65 ASN 0.222 0.039 1 0 "[ ]" 8 66 VAL 0.186 0.033 1 0 "[ ]" 8 68 GLY 0.125 0.025 1 0 "[ ]" 8 69 ALA 0.089 0.017 1 0 "[ ]" 8 70 VAL 0.091 0.018 1 0 "[ ]" 8 71 VAL 0.060 0.011 1 0 "[ ]" 8 72 THR 0.076 0.015 1 0 "[ ]" 8 73 GLY 0.082 0.015 1 0 "[ ]" 8 74 VAL 0.071 0.013 1 0 "[ ]" 8 75 THR 0.057 0.012 1 0 "[ ]" 8 76 ALA 0.086 0.019 1 0 "[ ]" 8 77 VAL 0.050 0.011 1 0 "[ ]" 8 78 ALA 0.041 0.008 1 0 "[ ]" 8 79 GLN 0.066 0.015 1 0 "[ ]" 8 81 THR 0.104 0.019 1 0 "[ ]" 8 82 VAL 0.105 0.019 1 0 "[ ]" 8 83 GLU 0.123 0.022 1 0 "[ ]" 8 84 GLY 0.122 0.021 1 0 "[ ]" 8 90 ALA 0.019 0.004 1 0 "[ ]" 8 91 ALA 0.031 0.006 1 0 "[ ]" 8 92 THR 0.034 0.007 1 0 "[ ]" 8 93 GLY 0.028 0.007 1 0 "[ ]" 8 94 PHE 0.056 0.012 1 0 "[ ]" 8 95 VAL 0.107 0.022 1 0 "[ ]" 8 96 LYS 0.140 0.029 1 0 "[ ]" 9 41 GLY 0.174 0.068 1 0 "[ ]" 9 42 SER 0.136 0.048 1 0 "[ ]" 9 43 LYS 0.112 0.040 1 0 "[ ]" 9 44 THR 0.082 0.030 1 0 "[ ]" 9 45 LYS 0.058 0.021 1 0 "[ ]" 9 46 GLU 0.043 0.016 1 0 "[ ]" 9 47 GLY 0.024 0.009 1 0 "[ ]" 9 48 VAL 0.026 0.009 1 0 "[ ]" 9 49 VAL 0.024 0.013 1 0 "[ ]" 9 52 VAL 0.054 0.019 1 0 "[ ]" 9 53 ALA 0.053 0.020 1 0 "[ ]" 9 54 THR 0.070 0.025 1 0 "[ ]" 9 55 VAL 0.098 0.040 1 0 "[ ]" 9 63 VAL 0.167 0.060 1 0 "[ ]" 9 64 THR 0.120 0.045 1 0 "[ ]" 9 65 ASN 0.111 0.039 1 0 "[ ]" 9 66 VAL 0.091 0.031 1 0 "[ ]" 9 68 GLY 0.061 0.024 1 0 "[ ]" 9 69 ALA 0.042 0.015 1 0 "[ ]" 9 70 VAL 0.043 0.015 1 0 "[ ]" 9 71 VAL 0.028 0.011 1 0 "[ ]" 9 72 THR 0.036 0.014 1 0 "[ ]" 9 73 GLY 0.040 0.015 1 0 "[ ]" 9 74 VAL 0.035 0.013 1 0 "[ ]" 9 75 THR 0.029 0.012 1 0 "[ ]" 9 76 ALA 0.048 0.019 1 0 "[ ]" 9 77 VAL 0.023 0.011 1 0 "[ ]" 9 78 ALA 0.019 0.007 1 0 "[ ]" 9 79 GLN 0.036 0.015 1 0 "[ ]" 9 81 THR 0.051 0.017 1 0 "[ ]" 9 82 VAL 0.052 0.019 1 0 "[ ]" 9 83 GLU 0.063 0.022 1 0 "[ ]" 9 84 GLY 0.060 0.020 1 0 "[ ]" 9 90 ALA 0.009 0.003 1 0 "[ ]" 9 91 ALA 0.014 0.006 1 0 "[ ]" 9 92 THR 0.018 0.007 1 0 "[ ]" 9 93 GLY 0.012 0.005 1 0 "[ ]" 9 94 PHE 0.027 0.012 1 0 "[ ]" 9 95 VAL 0.049 0.018 1 0 "[ ]" 9 96 LYS 0.065 0.023 1 0 "[ ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 2 41 GLY C 3 41 GLY C 4.700 4.500 4.900 4.954 4.954 4.954 0.054 1 0 "[ ]" 2 2 2 42 SER C 3 42 SER C 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 3 2 43 LYS C 3 43 LYS C 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 4 2 44 THR C 3 44 THR C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 5 2 45 LYS C 3 45 LYS C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 6 2 46 GLU C 3 46 GLU C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 7 2 47 GLY C 3 47 GLY C 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 8 2 48 VAL C 3 48 VAL C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 9 2 49 VAL C 3 49 VAL C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 10 2 52 VAL C 3 52 VAL C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 11 2 53 ALA C 3 53 ALA C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 12 2 54 THR C 3 54 THR C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 13 2 55 VAL C 3 55 VAL C 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 14 2 63 VAL C 3 63 VAL C 4.700 4.500 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 2 15 2 64 THR C 3 64 THR C 4.700 4.500 4.900 4.936 4.936 4.936 0.036 1 0 "[ ]" 2 16 2 65 ASN C 3 65 ASN C 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 17 2 66 VAL C 3 66 VAL C 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 18 2 68 GLY C 3 68 GLY C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 19 2 69 ALA C 3 69 ALA C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 20 2 70 VAL C 3 70 VAL C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 21 2 71 VAL C 3 71 VAL C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 22 2 72 THR C 3 72 THR C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 23 2 73 GLY C 3 73 GLY C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 24 2 74 VAL C 3 74 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 25 2 75 THR C 3 75 THR C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 26 2 76 ALA C 3 76 ALA C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 27 2 77 VAL C 3 77 VAL C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 28 2 78 ALA C 3 78 ALA C 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 29 2 79 GLN C 3 79 GLN C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 30 2 81 THR C 3 81 THR C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 31 2 82 VAL C 3 82 VAL C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 32 2 83 GLU C 3 83 GLU C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 33 2 84 GLY C 3 84 GLY C 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 34 2 90 ALA C 3 90 ALA C 4.700 4.500 4.900 4.902 4.902 4.902 0.002 1 0 "[ ]" 2 35 2 91 ALA C 3 91 ALA C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 36 2 92 THR C 3 92 THR C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 37 2 93 GLY C 3 93 GLY C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 38 2 94 PHE C 3 94 PHE C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 39 2 95 VAL C 3 95 VAL C 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 40 2 96 LYS C 3 96 LYS C 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 41 2 41 GLY CA 3 41 GLY CA 4.700 4.500 4.900 4.962 4.962 4.962 0.062 1 0 "[ ]" 2 42 2 42 SER CA 3 42 SER CA 4.700 4.500 4.900 4.945 4.945 4.945 0.045 1 0 "[ ]" 2 43 2 43 LYS CA 3 43 LYS CA 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 44 2 44 THR CA 3 44 THR CA 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 45 2 45 LYS CA 3 45 LYS CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 46 2 46 GLU CA 3 46 GLU CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 47 2 47 GLY CA 3 47 GLY CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 48 2 48 VAL CA 3 48 VAL CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 49 2 52 VAL CA 3 52 VAL CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 50 2 53 ALA CA 3 53 ALA CA 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 51 2 54 THR CA 3 54 THR CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 52 2 55 VAL CA 3 55 VAL CA 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 53 2 63 VAL CA 3 63 VAL CA 4.700 4.500 4.900 4.958 4.958 4.958 0.058 1 0 "[ ]" 2 54 2 64 THR CA 3 64 THR CA 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 55 2 65 ASN CA 3 65 ASN CA 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 56 2 66 VAL CA 3 66 VAL CA 4.700 4.500 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 2 57 2 68 GLY CA 3 68 GLY CA 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 58 2 69 ALA CA 3 69 ALA CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 59 2 70 VAL CA 3 70 VAL CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 60 2 71 VAL CA 3 71 VAL CA 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 61 2 72 THR CA 3 72 THR CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 62 2 73 GLY CA 3 73 GLY CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 63 2 74 VAL CA 3 74 VAL CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 64 2 75 THR CA 3 75 THR CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 65 2 76 ALA CA 3 76 ALA CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 66 2 77 VAL CA 3 77 VAL CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 67 2 78 ALA CA 3 78 ALA CA 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 68 2 79 GLN CA 3 79 GLN CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 69 2 81 THR CA 3 81 THR CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 70 2 82 VAL CA 3 82 VAL CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 71 2 83 GLU CA 3 83 GLU CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 72 2 84 GLY CA 3 84 GLY CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 73 2 90 ALA CA 3 90 ALA CA 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 74 2 91 ALA CA 3 91 ALA CA 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 75 2 92 THR CA 3 92 THR CA 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 76 2 93 GLY CA 3 93 GLY CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 77 2 94 PHE CA 3 94 PHE CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 78 2 95 VAL CA 3 95 VAL CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 79 2 96 LYS CA 3 96 LYS CA 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 80 2 41 GLY N 3 41 GLY N 4.700 4.500 4.900 4.973 4.973 4.973 0.073 1 0 "[ ]" 2 81 2 42 SER N 3 42 SER N 4.700 4.500 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 2 82 2 43 LYS N 3 43 LYS N 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 83 2 44 THR N 3 44 THR N 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 84 2 45 LYS N 3 45 LYS N 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 85 2 46 GLU N 3 46 GLU N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 86 2 47 GLY N 3 47 GLY N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 87 2 48 VAL N 3 48 VAL N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 88 2 49 VAL N 3 49 VAL N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 89 2 52 VAL N 3 52 VAL N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 90 2 53 ALA N 3 53 ALA N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 91 2 54 THR N 3 54 THR N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 92 2 55 VAL N 3 55 VAL N 4.700 4.500 4.900 4.928 4.928 4.928 0.028 1 0 "[ ]" 2 93 2 63 VAL N 3 63 VAL N 4.700 4.500 4.900 4.961 4.961 4.961 0.061 1 0 "[ ]" 2 94 2 64 THR N 3 64 THR N 4.700 4.500 4.900 4.943 4.943 4.943 0.043 1 0 "[ ]" 2 95 2 65 ASN N 3 65 ASN N 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 96 2 66 VAL N 3 66 VAL N 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 97 2 68 GLY N 3 68 GLY N 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 98 2 69 ALA N 3 69 ALA N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 99 2 70 VAL N 3 70 VAL N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 100 2 71 VAL N 3 71 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 101 2 72 THR N 3 72 THR N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 102 2 73 GLY N 3 73 GLY N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 103 2 74 VAL N 3 74 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 104 2 75 THR N 3 75 THR N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 105 2 76 ALA N 3 76 ALA N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 106 2 77 VAL N 3 77 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 107 2 78 ALA N 3 78 ALA N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 108 2 79 GLN N 3 79 GLN N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 109 2 81 THR N 3 81 THR N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 110 2 82 VAL N 3 82 VAL N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 111 2 83 GLU N 3 83 GLU N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 112 2 84 GLY N 3 84 GLY N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 113 2 90 ALA N 3 90 ALA N 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 114 2 91 ALA N 3 91 ALA N 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 115 2 92 THR N 3 92 THR N 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 116 2 93 GLY N 3 93 GLY N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 117 2 94 PHE N 3 94 PHE N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 118 2 95 VAL N 3 95 VAL N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 119 2 96 LYS N 3 96 LYS N 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 120 3 41 GLY C 4 41 GLY C 4.700 4.500 4.900 4.957 4.957 4.957 0.057 1 0 "[ ]" 2 121 3 42 SER C 4 42 SER C 4.700 4.500 4.900 4.941 4.941 4.941 0.041 1 0 "[ ]" 2 122 3 43 LYS C 4 43 LYS C 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 123 3 44 THR C 4 44 THR C 4.700 4.500 4.900 4.926 4.926 4.926 0.026 1 0 "[ ]" 2 124 3 45 LYS C 4 45 LYS C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 125 3 46 GLU C 4 46 GLU C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 126 3 47 GLY C 4 47 GLY C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 127 3 48 VAL C 4 48 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 128 3 49 VAL C 4 49 VAL C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 129 3 52 VAL C 4 52 VAL C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 130 3 53 ALA C 4 53 ALA C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 131 3 54 THR C 4 54 THR C 4.700 4.500 4.900 4.926 4.926 4.926 0.026 1 0 "[ ]" 2 132 3 55 VAL C 4 55 VAL C 4.700 4.500 4.900 4.941 4.941 4.941 0.041 1 0 "[ ]" 2 133 3 63 VAL C 4 63 VAL C 4.700 4.500 4.900 4.951 4.951 4.951 0.051 1 0 "[ ]" 2 134 3 64 THR C 4 64 THR C 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 135 3 65 ASN C 4 65 ASN C 4.700 4.500 4.900 4.934 4.934 4.934 0.034 1 0 "[ ]" 2 136 3 66 VAL C 4 66 VAL C 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 137 3 68 GLY C 4 68 GLY C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 138 3 69 ALA C 4 69 ALA C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 139 3 70 VAL C 4 70 VAL C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 140 3 71 VAL C 4 71 VAL C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 141 3 72 THR C 4 72 THR C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 142 3 73 GLY C 4 73 GLY C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 143 3 74 VAL C 4 74 VAL C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 144 3 75 THR C 4 75 THR C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 145 3 76 ALA C 4 76 ALA C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 146 3 77 VAL C 4 77 VAL C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 147 3 78 ALA C 4 78 ALA C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 148 3 79 GLN C 4 79 GLN C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 149 3 81 THR C 4 81 THR C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 150 3 82 VAL C 4 82 VAL C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 151 3 83 GLU C 4 83 GLU C 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 152 3 84 GLY C 4 84 GLY C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 153 3 90 ALA C 4 90 ALA C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 154 3 91 ALA C 4 91 ALA C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 155 3 92 THR C 4 92 THR C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 156 3 93 GLY C 4 93 GLY C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 157 3 94 PHE C 4 94 PHE C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 158 3 95 VAL C 4 95 VAL C 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 159 3 96 LYS C 4 96 LYS C 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 160 3 41 GLY CA 4 41 GLY CA 4.700 4.500 4.900 4.963 4.963 4.963 0.063 1 0 "[ ]" 2 161 3 42 SER CA 4 42 SER CA 4.700 4.500 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 2 162 3 43 LYS CA 4 43 LYS CA 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 163 3 44 THR CA 4 44 THR CA 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 164 3 45 LYS CA 4 45 LYS CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 165 3 46 GLU CA 4 46 GLU CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 166 3 47 GLY CA 4 47 GLY CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 167 3 48 VAL CA 4 48 VAL CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 168 3 52 VAL CA 4 52 VAL CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 169 3 53 ALA CA 4 53 ALA CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 170 3 54 THR CA 4 54 THR CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 171 3 55 VAL CA 4 55 VAL CA 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 172 3 63 VAL CA 4 63 VAL CA 4.700 4.500 4.900 4.960 4.960 4.960 0.060 1 0 "[ ]" 2 173 3 64 THR CA 4 64 THR CA 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 174 3 65 ASN CA 4 65 ASN CA 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 175 3 66 VAL CA 4 66 VAL CA 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 176 3 68 GLY CA 4 68 GLY CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 177 3 69 ALA CA 4 69 ALA CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 178 3 70 VAL CA 4 70 VAL CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 179 3 71 VAL CA 4 71 VAL CA 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 180 3 72 THR CA 4 72 THR CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 181 3 73 GLY CA 4 73 GLY CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 182 3 74 VAL CA 4 74 VAL CA 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 183 3 75 THR CA 4 75 THR CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 184 3 76 ALA CA 4 76 ALA CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 185 3 77 VAL CA 4 77 VAL CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 186 3 78 ALA CA 4 78 ALA CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 187 3 79 GLN CA 4 79 GLN CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 188 3 81 THR CA 4 81 THR CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 189 3 82 VAL CA 4 82 VAL CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 190 3 83 GLU CA 4 83 GLU CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 191 3 84 GLY CA 4 84 GLY CA 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 192 3 90 ALA CA 4 90 ALA CA 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 193 3 91 ALA CA 4 91 ALA CA 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 194 3 92 THR CA 4 92 THR CA 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 195 3 93 GLY CA 4 93 GLY CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 196 3 94 PHE CA 4 94 PHE CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 197 3 95 VAL CA 4 95 VAL CA 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 198 3 96 LYS CA 4 96 LYS CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 199 3 41 GLY N 4 41 GLY N 4.700 4.500 4.900 4.974 4.974 4.974 0.074 1 0 "[ ]" 2 200 3 42 SER N 4 42 SER N 4.700 4.500 4.900 4.952 4.952 4.952 0.052 1 0 "[ ]" 2 201 3 43 LYS N 4 43 LYS N 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 202 3 44 THR N 4 44 THR N 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 203 3 45 LYS N 4 45 LYS N 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 204 3 46 GLU N 4 46 GLU N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 205 3 47 GLY N 4 47 GLY N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 206 3 48 VAL N 4 48 VAL N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 207 3 49 VAL N 4 49 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 208 3 52 VAL N 4 52 VAL N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 209 3 53 ALA N 4 53 ALA N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 210 3 54 THR N 4 54 THR N 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 211 3 55 VAL N 4 55 VAL N 4.700 4.500 4.900 4.928 4.928 4.928 0.028 1 0 "[ ]" 2 212 3 63 VAL N 4 63 VAL N 4.700 4.500 4.900 4.964 4.964 4.964 0.064 1 0 "[ ]" 2 213 3 64 THR N 4 64 THR N 4.700 4.500 4.900 4.945 4.945 4.945 0.045 1 0 "[ ]" 2 214 3 65 ASN N 4 65 ASN N 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 215 3 66 VAL N 4 66 VAL N 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 216 3 68 GLY N 4 68 GLY N 4.700 4.500 4.900 4.926 4.926 4.926 0.026 1 0 "[ ]" 2 217 3 69 ALA N 4 69 ALA N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 218 3 70 VAL N 4 70 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 219 3 71 VAL N 4 71 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 220 3 72 THR N 4 72 THR N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 221 3 73 GLY N 4 73 GLY N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 222 3 74 VAL N 4 74 VAL N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 223 3 75 THR N 4 75 THR N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 224 3 76 ALA N 4 76 ALA N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 225 3 77 VAL N 4 77 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 226 3 78 ALA N 4 78 ALA N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 227 3 79 GLN N 4 79 GLN N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 228 3 81 THR N 4 81 THR N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 229 3 82 VAL N 4 82 VAL N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 230 3 83 GLU N 4 83 GLU N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 231 3 84 GLY N 4 84 GLY N 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 232 3 90 ALA N 4 90 ALA N 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 233 3 91 ALA N 4 91 ALA N 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 234 3 92 THR N 4 92 THR N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 235 3 93 GLY N 4 93 GLY N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 236 3 94 PHE N 4 94 PHE N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 237 3 95 VAL N 4 95 VAL N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 238 3 96 LYS N 4 96 LYS N 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 239 4 41 GLY C 5 41 GLY C 4.700 4.500 4.900 4.958 4.958 4.958 0.058 1 0 "[ ]" 2 240 4 42 SER C 5 42 SER C 4.700 4.500 4.900 4.941 4.941 4.941 0.041 1 0 "[ ]" 2 241 4 43 LYS C 5 43 LYS C 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 242 4 44 THR C 5 44 THR C 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 243 4 45 LYS C 5 45 LYS C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 244 4 46 GLU C 5 46 GLU C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 245 4 47 GLY C 5 47 GLY C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 246 4 48 VAL C 5 48 VAL C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 247 4 49 VAL C 5 49 VAL C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 248 4 52 VAL C 5 52 VAL C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 249 4 53 ALA C 5 53 ALA C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 250 4 54 THR C 5 54 THR C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 251 4 55 VAL C 5 55 VAL C 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 252 4 63 VAL C 5 63 VAL C 4.700 4.500 4.900 4.951 4.951 4.951 0.051 1 0 "[ ]" 2 253 4 64 THR C 5 64 THR C 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 254 4 65 ASN C 5 65 ASN C 4.700 4.500 4.900 4.935 4.935 4.935 0.035 1 0 "[ ]" 2 255 4 66 VAL C 5 66 VAL C 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 256 4 68 GLY C 5 68 GLY C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 257 4 69 ALA C 5 69 ALA C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 258 4 70 VAL C 5 70 VAL C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 259 4 71 VAL C 5 71 VAL C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 260 4 72 THR C 5 72 THR C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 261 4 73 GLY C 5 73 GLY C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 262 4 74 VAL C 5 74 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 263 4 75 THR C 5 75 THR C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 264 4 76 ALA C 5 76 ALA C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 265 4 77 VAL C 5 77 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 266 4 78 ALA C 5 78 ALA C 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 267 4 79 GLN C 5 79 GLN C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 268 4 81 THR C 5 81 THR C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 269 4 82 VAL C 5 82 VAL C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 270 4 83 GLU C 5 83 GLU C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 271 4 84 GLY C 5 84 GLY C 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 272 4 90 ALA C 5 90 ALA C 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 273 4 91 ALA C 5 91 ALA C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 274 4 92 THR C 5 92 THR C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 275 4 93 GLY C 5 93 GLY C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 276 4 94 PHE C 5 94 PHE C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 277 4 95 VAL C 5 95 VAL C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 278 4 96 LYS C 5 96 LYS C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 279 4 41 GLY CA 5 41 GLY CA 4.700 4.500 4.900 4.965 4.965 4.965 0.065 1 0 "[ ]" 2 280 4 42 SER CA 5 42 SER CA 4.700 4.500 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 2 281 4 43 LYS CA 5 43 LYS CA 4.700 4.500 4.900 4.936 4.936 4.936 0.036 1 0 "[ ]" 2 282 4 44 THR CA 5 44 THR CA 4.700 4.500 4.900 4.928 4.928 4.928 0.028 1 0 "[ ]" 2 283 4 45 LYS CA 5 45 LYS CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 284 4 46 GLU CA 5 46 GLU CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 285 4 47 GLY CA 5 47 GLY CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 286 4 48 VAL CA 5 48 VAL CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 287 4 52 VAL CA 5 52 VAL CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 288 4 53 ALA CA 5 53 ALA CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 289 4 54 THR CA 5 54 THR CA 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 290 4 55 VAL CA 5 55 VAL CA 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 291 4 63 VAL CA 5 63 VAL CA 4.700 4.500 4.900 4.959 4.959 4.959 0.059 1 0 "[ ]" 2 292 4 64 THR CA 5 64 THR CA 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 293 4 65 ASN CA 5 65 ASN CA 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 294 4 66 VAL CA 5 66 VAL CA 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 295 4 68 GLY CA 5 68 GLY CA 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 296 4 69 ALA CA 5 69 ALA CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 297 4 70 VAL CA 5 70 VAL CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 298 4 71 VAL CA 5 71 VAL CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 299 4 72 THR CA 5 72 THR CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 300 4 73 GLY CA 5 73 GLY CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 301 4 74 VAL CA 5 74 VAL CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 302 4 75 THR CA 5 75 THR CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 303 4 76 ALA CA 5 76 ALA CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 304 4 77 VAL CA 5 77 VAL CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 305 4 78 ALA CA 5 78 ALA CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 306 4 79 GLN CA 5 79 GLN CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 307 4 81 THR CA 5 81 THR CA 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 308 4 82 VAL CA 5 82 VAL CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 309 4 83 GLU CA 5 83 GLU CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 310 4 84 GLY CA 5 84 GLY CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 311 4 90 ALA CA 5 90 ALA CA 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 312 4 91 ALA CA 5 91 ALA CA 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 313 4 92 THR CA 5 92 THR CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 314 4 93 GLY CA 5 93 GLY CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 315 4 94 PHE CA 5 94 PHE CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 316 4 95 VAL CA 5 95 VAL CA 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 317 4 96 LYS CA 5 96 LYS CA 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 318 4 41 GLY N 5 41 GLY N 4.700 4.500 4.900 4.973 4.973 4.973 0.073 1 0 "[ ]" 2 319 4 42 SER N 5 42 SER N 4.700 4.500 4.900 4.952 4.952 4.952 0.052 1 0 "[ ]" 2 320 4 43 LYS N 5 43 LYS N 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 321 4 44 THR N 5 44 THR N 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 322 4 45 LYS N 5 45 LYS N 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 323 4 46 GLU N 5 46 GLU N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 324 4 47 GLY N 5 47 GLY N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 325 4 48 VAL N 5 48 VAL N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 326 4 49 VAL N 5 49 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 327 4 52 VAL N 5 52 VAL N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 328 4 53 ALA N 5 53 ALA N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 329 4 54 THR N 5 54 THR N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 330 4 55 VAL N 5 55 VAL N 4.700 4.500 4.900 4.928 4.928 4.928 0.028 1 0 "[ ]" 2 331 4 63 VAL N 5 63 VAL N 4.700 4.500 4.900 4.964 4.964 4.964 0.064 1 0 "[ ]" 2 332 4 64 THR N 5 64 THR N 4.700 4.500 4.900 4.946 4.946 4.946 0.046 1 0 "[ ]" 2 333 4 65 ASN N 5 65 ASN N 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 334 4 66 VAL N 5 66 VAL N 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 335 4 68 GLY N 5 68 GLY N 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 336 4 69 ALA N 5 69 ALA N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 337 4 70 VAL N 5 70 VAL N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 338 4 71 VAL N 5 71 VAL N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 339 4 72 THR N 5 72 THR N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 340 4 73 GLY N 5 73 GLY N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 341 4 74 VAL N 5 74 VAL N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 342 4 75 THR N 5 75 THR N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 343 4 76 ALA N 5 76 ALA N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 344 4 77 VAL N 5 77 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 345 4 78 ALA N 5 78 ALA N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 346 4 79 GLN N 5 79 GLN N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 347 4 81 THR N 5 81 THR N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 348 4 82 VAL N 5 82 VAL N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 349 4 83 GLU N 5 83 GLU N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 350 4 84 GLY N 5 84 GLY N 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 351 4 90 ALA N 5 90 ALA N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 352 4 91 ALA N 5 91 ALA N 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 353 4 92 THR N 5 92 THR N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 354 4 93 GLY N 5 93 GLY N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 355 4 94 PHE N 5 94 PHE N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 356 4 95 VAL N 5 95 VAL N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 357 4 96 LYS N 5 96 LYS N 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 358 5 41 GLY C 6 41 GLY C 4.700 4.500 4.900 4.956 4.956 4.956 0.056 1 0 "[ ]" 2 359 5 42 SER C 6 42 SER C 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 360 5 43 LYS C 6 43 LYS C 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 361 5 44 THR C 6 44 THR C 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 362 5 45 LYS C 6 45 LYS C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 363 5 46 GLU C 6 46 GLU C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 364 5 47 GLY C 6 47 GLY C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 365 5 48 VAL C 6 48 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 366 5 49 VAL C 6 49 VAL C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 367 5 52 VAL C 6 52 VAL C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 368 5 53 ALA C 6 53 ALA C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 369 5 54 THR C 6 54 THR C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 370 5 55 VAL C 6 55 VAL C 4.700 4.500 4.900 4.941 4.941 4.941 0.041 1 0 "[ ]" 2 371 5 63 VAL C 6 63 VAL C 4.700 4.500 4.900 4.950 4.950 4.950 0.050 1 0 "[ ]" 2 372 5 64 THR C 6 64 THR C 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 373 5 65 ASN C 6 65 ASN C 4.700 4.500 4.900 4.936 4.936 4.936 0.036 1 0 "[ ]" 2 374 5 66 VAL C 6 66 VAL C 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 375 5 68 GLY C 6 68 GLY C 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 376 5 69 ALA C 6 69 ALA C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 377 5 70 VAL C 6 70 VAL C 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 378 5 71 VAL C 6 71 VAL C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 379 5 72 THR C 6 72 THR C 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 380 5 73 GLY C 6 73 GLY C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 381 5 74 VAL C 6 74 VAL C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 382 5 75 THR C 6 75 THR C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 383 5 76 ALA C 6 76 ALA C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 384 5 77 VAL C 6 77 VAL C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 385 5 78 ALA C 6 78 ALA C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 386 5 79 GLN C 6 79 GLN C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 387 5 81 THR C 6 81 THR C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 388 5 82 VAL C 6 82 VAL C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 389 5 83 GLU C 6 83 GLU C 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 390 5 84 GLY C 6 84 GLY C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 391 5 90 ALA C 6 90 ALA C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 392 5 91 ALA C 6 91 ALA C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 393 5 92 THR C 6 92 THR C 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 394 5 93 GLY C 6 93 GLY C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 395 5 94 PHE C 6 94 PHE C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 396 5 95 VAL C 6 95 VAL C 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 397 5 96 LYS C 6 96 LYS C 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 398 5 41 GLY CA 6 41 GLY CA 4.700 4.500 4.900 4.962 4.962 4.962 0.062 1 0 "[ ]" 2 399 5 42 SER CA 6 42 SER CA 4.700 4.500 4.900 4.945 4.945 4.945 0.045 1 0 "[ ]" 2 400 5 43 LYS CA 6 43 LYS CA 4.700 4.500 4.900 4.936 4.936 4.936 0.036 1 0 "[ ]" 2 401 5 44 THR CA 6 44 THR CA 4.700 4.500 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 2 402 5 45 LYS CA 6 45 LYS CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 403 5 46 GLU CA 6 46 GLU CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 404 5 47 GLY CA 6 47 GLY CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 405 5 48 VAL CA 6 48 VAL CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 406 5 52 VAL CA 6 52 VAL CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 407 5 53 ALA CA 6 53 ALA CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 408 5 54 THR CA 6 54 THR CA 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 409 5 55 VAL CA 6 55 VAL CA 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 410 5 63 VAL CA 6 63 VAL CA 4.700 4.500 4.900 4.959 4.959 4.959 0.059 1 0 "[ ]" 2 411 5 64 THR CA 6 64 THR CA 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 412 5 65 ASN CA 6 65 ASN CA 4.700 4.500 4.900 4.941 4.941 4.941 0.041 1 0 "[ ]" 2 413 5 66 VAL CA 6 66 VAL CA 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 414 5 68 GLY CA 6 68 GLY CA 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 415 5 69 ALA CA 6 69 ALA CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 416 5 70 VAL CA 6 70 VAL CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 417 5 71 VAL CA 6 71 VAL CA 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 418 5 72 THR CA 6 72 THR CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 419 5 73 GLY CA 6 73 GLY CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 420 5 74 VAL CA 6 74 VAL CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 421 5 75 THR CA 6 75 THR CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 422 5 76 ALA CA 6 76 ALA CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 423 5 77 VAL CA 6 77 VAL CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 424 5 78 ALA CA 6 78 ALA CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 425 5 79 GLN CA 6 79 GLN CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 426 5 81 THR CA 6 81 THR CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 427 5 82 VAL CA 6 82 VAL CA 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 428 5 83 GLU CA 6 83 GLU CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 429 5 84 GLY CA 6 84 GLY CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 430 5 90 ALA CA 6 90 ALA CA 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 431 5 91 ALA CA 6 91 ALA CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 432 5 92 THR CA 6 92 THR CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 433 5 93 GLY CA 6 93 GLY CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 434 5 94 PHE CA 6 94 PHE CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 435 5 95 VAL CA 6 95 VAL CA 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 436 5 96 LYS CA 6 96 LYS CA 4.700 4.500 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 2 437 5 41 GLY N 6 41 GLY N 4.700 4.500 4.900 4.969 4.969 4.969 0.069 1 0 "[ ]" 2 438 5 42 SER N 6 42 SER N 4.700 4.500 4.900 4.951 4.951 4.951 0.051 1 0 "[ ]" 2 439 5 43 LYS N 6 43 LYS N 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 440 5 44 THR N 6 44 THR N 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 441 5 45 LYS N 6 45 LYS N 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 442 5 46 GLU N 6 46 GLU N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 443 5 47 GLY N 6 47 GLY N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 444 5 48 VAL N 6 48 VAL N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 445 5 49 VAL N 6 49 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 446 5 52 VAL N 6 52 VAL N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 447 5 53 ALA N 6 53 ALA N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 448 5 54 THR N 6 54 THR N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 449 5 55 VAL N 6 55 VAL N 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 450 5 63 VAL N 6 63 VAL N 4.700 4.500 4.900 4.963 4.963 4.963 0.063 1 0 "[ ]" 2 451 5 64 THR N 6 64 THR N 4.700 4.500 4.900 4.944 4.944 4.944 0.044 1 0 "[ ]" 2 452 5 65 ASN N 6 65 ASN N 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 453 5 66 VAL N 6 66 VAL N 4.700 4.500 4.900 4.934 4.934 4.934 0.034 1 0 "[ ]" 2 454 5 68 GLY N 6 68 GLY N 4.700 4.500 4.900 4.928 4.928 4.928 0.028 1 0 "[ ]" 2 455 5 69 ALA N 6 69 ALA N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 456 5 70 VAL N 6 70 VAL N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 457 5 71 VAL N 6 71 VAL N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 458 5 72 THR N 6 72 THR N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 459 5 73 GLY N 6 73 GLY N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 460 5 74 VAL N 6 74 VAL N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 461 5 75 THR N 6 75 THR N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 462 5 76 ALA N 6 76 ALA N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 463 5 77 VAL N 6 77 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 464 5 78 ALA N 6 78 ALA N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 465 5 79 GLN N 6 79 GLN N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 466 5 81 THR N 6 81 THR N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 467 5 82 VAL N 6 82 VAL N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 468 5 83 GLU N 6 83 GLU N 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 469 5 84 GLY N 6 84 GLY N 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 470 5 90 ALA N 6 90 ALA N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 471 5 91 ALA N 6 91 ALA N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 472 5 92 THR N 6 92 THR N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 473 5 93 GLY N 6 93 GLY N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 474 5 94 PHE N 6 94 PHE N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 475 5 95 VAL N 6 95 VAL N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 476 5 96 LYS N 6 96 LYS N 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 477 6 41 GLY C 7 41 GLY C 4.700 4.500 4.900 4.953 4.953 4.953 0.053 1 0 "[ ]" 2 478 6 42 SER C 7 42 SER C 4.700 4.500 4.900 4.943 4.943 4.943 0.043 1 0 "[ ]" 2 479 6 43 LYS C 7 43 LYS C 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 480 6 44 THR C 7 44 THR C 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 481 6 45 LYS C 7 45 LYS C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 482 6 46 GLU C 7 46 GLU C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 483 6 47 GLY C 7 47 GLY C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 484 6 48 VAL C 7 48 VAL C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 485 6 49 VAL C 7 49 VAL C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 486 6 52 VAL C 7 52 VAL C 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 487 6 53 ALA C 7 53 ALA C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 488 6 54 THR C 7 54 THR C 4.700 4.500 4.900 4.926 4.926 4.926 0.026 1 0 "[ ]" 2 489 6 55 VAL C 7 55 VAL C 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 490 6 63 VAL C 7 63 VAL C 4.700 4.500 4.900 4.952 4.952 4.952 0.052 1 0 "[ ]" 2 491 6 64 THR C 7 64 THR C 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 492 6 65 ASN C 7 65 ASN C 4.700 4.500 4.900 4.935 4.935 4.935 0.035 1 0 "[ ]" 2 493 6 66 VAL C 7 66 VAL C 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 494 6 68 GLY C 7 68 GLY C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 495 6 69 ALA C 7 69 ALA C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 496 6 70 VAL C 7 70 VAL C 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 497 6 71 VAL C 7 71 VAL C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 498 6 72 THR C 7 72 THR C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 499 6 73 GLY C 7 73 GLY C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 500 6 74 VAL C 7 74 VAL C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 501 6 75 THR C 7 75 THR C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 502 6 76 ALA C 7 76 ALA C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 503 6 77 VAL C 7 77 VAL C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 504 6 78 ALA C 7 78 ALA C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 505 6 79 GLN C 7 79 GLN C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 506 6 81 THR C 7 81 THR C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 507 6 82 VAL C 7 82 VAL C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 508 6 83 GLU C 7 83 GLU C 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 509 6 84 GLY C 7 84 GLY C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 510 6 90 ALA C 7 90 ALA C 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 511 6 91 ALA C 7 91 ALA C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 512 6 92 THR C 7 92 THR C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 513 6 93 GLY C 7 93 GLY C 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 514 6 94 PHE C 7 94 PHE C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 515 6 95 VAL C 7 95 VAL C 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 516 6 96 LYS C 7 96 LYS C 4.700 4.500 4.900 4.941 4.941 4.941 0.041 1 0 "[ ]" 2 517 6 41 GLY CA 7 41 GLY CA 4.700 4.500 4.900 4.959 4.959 4.959 0.059 1 0 "[ ]" 2 518 6 42 SER CA 7 42 SER CA 4.700 4.500 4.900 4.947 4.947 4.947 0.047 1 0 "[ ]" 2 519 6 43 LYS CA 7 43 LYS CA 4.700 4.500 4.900 4.936 4.936 4.936 0.036 1 0 "[ ]" 2 520 6 44 THR CA 7 44 THR CA 4.700 4.500 4.900 4.928 4.928 4.928 0.028 1 0 "[ ]" 2 521 6 45 LYS CA 7 45 LYS CA 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 522 6 46 GLU CA 7 46 GLU CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 523 6 47 GLY CA 7 47 GLY CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 524 6 48 VAL CA 7 48 VAL CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 525 6 52 VAL CA 7 52 VAL CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 526 6 53 ALA CA 7 53 ALA CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 527 6 54 THR CA 7 54 THR CA 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 528 6 55 VAL CA 7 55 VAL CA 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 529 6 63 VAL CA 7 63 VAL CA 4.700 4.500 4.900 4.959 4.959 4.959 0.059 1 0 "[ ]" 2 530 6 64 THR CA 7 64 THR CA 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 531 6 65 ASN CA 7 65 ASN CA 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 532 6 66 VAL CA 7 66 VAL CA 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 533 6 68 GLY CA 7 68 GLY CA 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 534 6 69 ALA CA 7 69 ALA CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 535 6 70 VAL CA 7 70 VAL CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 536 6 71 VAL CA 7 71 VAL CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 537 6 72 THR CA 7 72 THR CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 538 6 73 GLY CA 7 73 GLY CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 539 6 74 VAL CA 7 74 VAL CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 540 6 75 THR CA 7 75 THR CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 541 6 76 ALA CA 7 76 ALA CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 542 6 77 VAL CA 7 77 VAL CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 543 6 78 ALA CA 7 78 ALA CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 544 6 79 GLN CA 7 79 GLN CA 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 545 6 81 THR CA 7 81 THR CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 546 6 82 VAL CA 7 82 VAL CA 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 547 6 83 GLU CA 7 83 GLU CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 548 6 84 GLY CA 7 84 GLY CA 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 549 6 90 ALA CA 7 90 ALA CA 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 550 6 91 ALA CA 7 91 ALA CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 551 6 92 THR CA 7 92 THR CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 552 6 93 GLY CA 7 93 GLY CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 553 6 94 PHE CA 7 94 PHE CA 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 554 6 95 VAL CA 7 95 VAL CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 555 6 96 LYS CA 7 96 LYS CA 4.700 4.500 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 2 556 6 41 GLY N 7 41 GLY N 4.700 4.500 4.900 4.969 4.969 4.969 0.069 1 0 "[ ]" 2 557 6 42 SER N 7 42 SER N 4.700 4.500 4.900 4.951 4.951 4.951 0.051 1 0 "[ ]" 2 558 6 43 LYS N 7 43 LYS N 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 559 6 44 THR N 7 44 THR N 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 560 6 45 LYS N 7 45 LYS N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 561 6 46 GLU N 7 46 GLU N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 562 6 47 GLY N 7 47 GLY N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 563 6 48 VAL N 7 48 VAL N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 564 6 49 VAL N 7 49 VAL N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 565 6 52 VAL N 7 52 VAL N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 566 6 53 ALA N 7 53 ALA N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 567 6 54 THR N 7 54 THR N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 568 6 55 VAL N 7 55 VAL N 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 569 6 63 VAL N 7 63 VAL N 4.700 4.500 4.900 4.964 4.964 4.964 0.064 1 0 "[ ]" 2 570 6 64 THR N 7 64 THR N 4.700 4.500 4.900 4.945 4.945 4.945 0.045 1 0 "[ ]" 2 571 6 65 ASN N 7 65 ASN N 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 572 6 66 VAL N 7 66 VAL N 4.700 4.500 4.900 4.934 4.934 4.934 0.034 1 0 "[ ]" 2 573 6 68 GLY N 7 68 GLY N 4.700 4.500 4.900 4.926 4.926 4.926 0.026 1 0 "[ ]" 2 574 6 69 ALA N 7 69 ALA N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 575 6 70 VAL N 7 70 VAL N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 576 6 71 VAL N 7 71 VAL N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 577 6 72 THR N 7 72 THR N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 578 6 73 GLY N 7 73 GLY N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 579 6 74 VAL N 7 74 VAL N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 580 6 75 THR N 7 75 THR N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 581 6 76 ALA N 7 76 ALA N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 582 6 77 VAL N 7 77 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 583 6 78 ALA N 7 78 ALA N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 584 6 79 GLN N 7 79 GLN N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 585 6 81 THR N 7 81 THR N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 586 6 82 VAL N 7 82 VAL N 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 587 6 83 GLU N 7 83 GLU N 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 588 6 84 GLY N 7 84 GLY N 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 589 6 90 ALA N 7 90 ALA N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 590 6 91 ALA N 7 91 ALA N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 591 6 92 THR N 7 92 THR N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 592 6 93 GLY N 7 93 GLY N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 593 6 94 PHE N 7 94 PHE N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 594 6 95 VAL N 7 95 VAL N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 595 6 96 LYS N 7 96 LYS N 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 596 7 41 GLY C 8 41 GLY C 4.700 4.500 4.900 4.953 4.953 4.953 0.053 1 0 "[ ]" 2 597 7 42 SER C 8 42 SER C 4.700 4.500 4.900 4.942 4.942 4.942 0.042 1 0 "[ ]" 2 598 7 43 LYS C 8 43 LYS C 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 599 7 44 THR C 8 44 THR C 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 600 7 45 LYS C 8 45 LYS C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 601 7 46 GLU C 8 46 GLU C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 602 7 47 GLY C 8 47 GLY C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 603 7 48 VAL C 8 48 VAL C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 604 7 49 VAL C 8 49 VAL C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 605 7 52 VAL C 8 52 VAL C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 606 7 53 ALA C 8 53 ALA C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 607 7 54 THR C 8 54 THR C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 608 7 55 VAL C 8 55 VAL C 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 609 7 63 VAL C 8 63 VAL C 4.700 4.500 4.900 4.951 4.951 4.951 0.051 1 0 "[ ]" 2 610 7 64 THR C 8 64 THR C 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 611 7 65 ASN C 8 65 ASN C 4.700 4.500 4.900 4.934 4.934 4.934 0.034 1 0 "[ ]" 2 612 7 66 VAL C 8 66 VAL C 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 613 7 68 GLY C 8 68 GLY C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 614 7 69 ALA C 8 69 ALA C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 615 7 70 VAL C 8 70 VAL C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 616 7 71 VAL C 8 71 VAL C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 617 7 72 THR C 8 72 THR C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 618 7 73 GLY C 8 73 GLY C 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 619 7 74 VAL C 8 74 VAL C 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 620 7 75 THR C 8 75 THR C 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 621 7 76 ALA C 8 76 ALA C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 622 7 77 VAL C 8 77 VAL C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 623 7 78 ALA C 8 78 ALA C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 624 7 79 GLN C 8 79 GLN C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 625 7 81 THR C 8 81 THR C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 626 7 82 VAL C 8 82 VAL C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 627 7 83 GLU C 8 83 GLU C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 628 7 84 GLY C 8 84 GLY C 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 629 7 90 ALA C 8 90 ALA C 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 630 7 91 ALA C 8 91 ALA C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 631 7 92 THR C 8 92 THR C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 632 7 93 GLY C 8 93 GLY C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 633 7 94 PHE C 8 94 PHE C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 634 7 95 VAL C 8 95 VAL C 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 635 7 96 LYS C 8 96 LYS C 4.700 4.500 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 2 636 7 41 GLY CA 8 41 GLY CA 4.700 4.500 4.900 4.956 4.956 4.956 0.056 1 0 "[ ]" 2 637 7 42 SER CA 8 42 SER CA 4.700 4.500 4.900 4.947 4.947 4.947 0.047 1 0 "[ ]" 2 638 7 43 LYS CA 8 43 LYS CA 4.700 4.500 4.900 4.936 4.936 4.936 0.036 1 0 "[ ]" 2 639 7 44 THR CA 8 44 THR CA 4.700 4.500 4.900 4.929 4.929 4.929 0.029 1 0 "[ ]" 2 640 7 45 LYS CA 8 45 LYS CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 641 7 46 GLU CA 8 46 GLU CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 642 7 47 GLY CA 8 47 GLY CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 643 7 48 VAL CA 8 48 VAL CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 644 7 52 VAL CA 8 52 VAL CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 645 7 53 ALA CA 8 53 ALA CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 646 7 54 THR CA 8 54 THR CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 647 7 55 VAL CA 8 55 VAL CA 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 648 7 63 VAL CA 8 63 VAL CA 4.700 4.500 4.900 4.959 4.959 4.959 0.059 1 0 "[ ]" 2 649 7 64 THR CA 8 64 THR CA 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 650 7 65 ASN CA 8 65 ASN CA 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 651 7 66 VAL CA 8 66 VAL CA 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 652 7 68 GLY CA 8 68 GLY CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 653 7 69 ALA CA 8 69 ALA CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 654 7 70 VAL CA 8 70 VAL CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 655 7 71 VAL CA 8 71 VAL CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 656 7 72 THR CA 8 72 THR CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 657 7 73 GLY CA 8 73 GLY CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 658 7 74 VAL CA 8 74 VAL CA 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 659 7 75 THR CA 8 75 THR CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 660 7 76 ALA CA 8 76 ALA CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 661 7 77 VAL CA 8 77 VAL CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 662 7 78 ALA CA 8 78 ALA CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 663 7 79 GLN CA 8 79 GLN CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 664 7 81 THR CA 8 81 THR CA 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 665 7 82 VAL CA 8 82 VAL CA 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 666 7 83 GLU CA 8 83 GLU CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 667 7 84 GLY CA 8 84 GLY CA 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 668 7 90 ALA CA 8 90 ALA CA 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 669 7 91 ALA CA 8 91 ALA CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 670 7 92 THR CA 8 92 THR CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 671 7 93 GLY CA 8 93 GLY CA 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 672 7 94 PHE CA 8 94 PHE CA 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 673 7 95 VAL CA 8 95 VAL CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 674 7 96 LYS CA 8 96 LYS CA 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 675 7 41 GLY N 8 41 GLY N 4.700 4.500 4.900 4.967 4.967 4.967 0.067 1 0 "[ ]" 2 676 7 42 SER N 8 42 SER N 4.700 4.500 4.900 4.949 4.949 4.949 0.049 1 0 "[ ]" 2 677 7 43 LYS N 8 43 LYS N 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 678 7 44 THR N 8 44 THR N 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 679 7 45 LYS N 8 45 LYS N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 680 7 46 GLU N 8 46 GLU N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 681 7 47 GLY N 8 47 GLY N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 682 7 48 VAL N 8 48 VAL N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 683 7 49 VAL N 8 49 VAL N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 684 7 52 VAL N 8 52 VAL N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 685 7 53 ALA N 8 53 ALA N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 686 7 54 THR N 8 54 THR N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 687 7 55 VAL N 8 55 VAL N 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 688 7 63 VAL N 8 63 VAL N 4.700 4.500 4.900 4.963 4.963 4.963 0.063 1 0 "[ ]" 2 689 7 64 THR N 8 64 THR N 4.700 4.500 4.900 4.946 4.946 4.946 0.046 1 0 "[ ]" 2 690 7 65 ASN N 8 65 ASN N 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 691 7 66 VAL N 8 66 VAL N 4.700 4.500 4.900 4.933 4.933 4.933 0.033 1 0 "[ ]" 2 692 7 68 GLY N 8 68 GLY N 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 693 7 69 ALA N 8 69 ALA N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 694 7 70 VAL N 8 70 VAL N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 695 7 71 VAL N 8 71 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 696 7 72 THR N 8 72 THR N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 697 7 73 GLY N 8 73 GLY N 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 698 7 74 VAL N 8 74 VAL N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 699 7 75 THR N 8 75 THR N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 700 7 76 ALA N 8 76 ALA N 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 701 7 77 VAL N 8 77 VAL N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 702 7 78 ALA N 8 78 ALA N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 703 7 79 GLN N 8 79 GLN N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 704 7 81 THR N 8 81 THR N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 705 7 82 VAL N 8 82 VAL N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 706 7 83 GLU N 8 83 GLU N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 707 7 84 GLY N 8 84 GLY N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 708 7 90 ALA N 8 90 ALA N 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 709 7 91 ALA N 8 91 ALA N 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 710 7 92 THR N 8 92 THR N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 711 7 93 GLY N 8 93 GLY N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 712 7 94 PHE N 8 94 PHE N 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 713 7 95 VAL N 8 95 VAL N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 714 7 96 LYS N 8 96 LYS N 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 715 8 41 GLY C 9 41 GLY C 4.700 4.500 4.900 4.950 4.950 4.950 0.050 1 0 "[ ]" 2 716 8 42 SER C 9 42 SER C 4.700 4.500 4.900 4.941 4.941 4.941 0.041 1 0 "[ ]" 2 717 8 43 LYS C 9 43 LYS C 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 718 8 44 THR C 9 44 THR C 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 719 8 45 LYS C 9 45 LYS C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 720 8 46 GLU C 9 46 GLU C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 721 8 47 GLY C 9 47 GLY C 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 722 8 48 VAL C 9 48 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 723 8 49 VAL C 9 49 VAL C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 724 8 52 VAL C 9 52 VAL C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 725 8 53 ALA C 9 53 ALA C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 726 8 54 THR C 9 54 THR C 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 727 8 55 VAL C 9 55 VAL C 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 728 8 63 VAL C 9 63 VAL C 4.700 4.500 4.900 4.949 4.949 4.949 0.049 1 0 "[ ]" 2 729 8 64 THR C 9 64 THR C 4.700 4.500 4.900 4.937 4.937 4.937 0.037 1 0 "[ ]" 2 730 8 65 ASN C 9 65 ASN C 4.700 4.500 4.900 4.934 4.934 4.934 0.034 1 0 "[ ]" 2 731 8 66 VAL C 9 66 VAL C 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 732 8 68 GLY C 9 68 GLY C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 733 8 69 ALA C 9 69 ALA C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 734 8 70 VAL C 9 70 VAL C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 735 8 71 VAL C 9 71 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 736 8 72 THR C 9 72 THR C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 737 8 73 GLY C 9 73 GLY C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 738 8 74 VAL C 9 74 VAL C 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 739 8 75 THR C 9 75 THR C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 740 8 76 ALA C 9 76 ALA C 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 741 8 77 VAL C 9 77 VAL C 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 742 8 78 ALA C 9 78 ALA C 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 743 8 79 GLN C 9 79 GLN C 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 744 8 81 THR C 9 81 THR C 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 745 8 82 VAL C 9 82 VAL C 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 746 8 83 GLU C 9 83 GLU C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 747 8 84 GLY C 9 84 GLY C 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 748 8 90 ALA C 9 90 ALA C 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 749 8 91 ALA C 9 91 ALA C 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 750 8 92 THR C 9 92 THR C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 751 8 93 GLY C 9 93 GLY C 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 752 8 94 PHE C 9 94 PHE C 4.700 4.500 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2 753 8 95 VAL C 9 95 VAL C 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 754 8 96 LYS C 9 96 LYS C 4.700 4.500 4.900 4.923 4.923 4.923 0.023 1 0 "[ ]" 2 755 8 41 GLY CA 9 41 GLY CA 4.700 4.500 4.900 4.956 4.956 4.956 0.056 1 0 "[ ]" 2 756 8 42 SER CA 9 42 SER CA 4.700 4.500 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 2 757 8 43 LYS CA 9 43 LYS CA 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 758 8 44 THR CA 9 44 THR CA 4.700 4.500 4.900 4.928 4.928 4.928 0.028 1 0 "[ ]" 2 759 8 45 LYS CA 9 45 LYS CA 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 760 8 46 GLU CA 9 46 GLU CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 761 8 47 GLY CA 9 47 GLY CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 762 8 48 VAL CA 9 48 VAL CA 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 763 8 52 VAL CA 9 52 VAL CA 4.700 4.500 4.900 4.918 4.918 4.918 0.018 1 0 "[ ]" 2 764 8 53 ALA CA 9 53 ALA CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 765 8 54 THR CA 9 54 THR CA 4.700 4.500 4.900 4.925 4.925 4.925 0.025 1 0 "[ ]" 2 766 8 55 VAL CA 9 55 VAL CA 4.700 4.500 4.900 4.932 4.932 4.932 0.032 1 0 "[ ]" 2 767 8 63 VAL CA 9 63 VAL CA 4.700 4.500 4.900 4.958 4.958 4.958 0.058 1 0 "[ ]" 2 768 8 64 THR CA 9 64 THR CA 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 769 8 65 ASN CA 9 65 ASN CA 4.700 4.500 4.900 4.939 4.939 4.939 0.039 1 0 "[ ]" 2 770 8 66 VAL CA 9 66 VAL CA 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 771 8 68 GLY CA 9 68 GLY CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 772 8 69 ALA CA 9 69 ALA CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 773 8 70 VAL CA 9 70 VAL CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 774 8 71 VAL CA 9 71 VAL CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 775 8 72 THR CA 9 72 THR CA 4.700 4.500 4.900 4.914 4.914 4.914 0.014 1 0 "[ ]" 2 776 8 73 GLY CA 9 73 GLY CA 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 777 8 74 VAL CA 9 74 VAL CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 778 8 75 THR CA 9 75 THR CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 779 8 76 ALA CA 9 76 ALA CA 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 780 8 77 VAL CA 9 77 VAL CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 781 8 78 ALA CA 9 78 ALA CA 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 782 8 79 GLN CA 9 79 GLN CA 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 783 8 81 THR CA 9 81 THR CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 784 8 82 VAL CA 9 82 VAL CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 785 8 83 GLU CA 9 83 GLU CA 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 786 8 84 GLY CA 9 84 GLY CA 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 787 8 90 ALA CA 9 90 ALA CA 4.700 4.500 4.900 4.902 4.902 4.902 0.002 1 0 "[ ]" 2 788 8 91 ALA CA 9 91 ALA CA 4.700 4.500 4.900 4.905 4.905 4.905 0.005 1 0 "[ ]" 2 789 8 92 THR CA 9 92 THR CA 4.700 4.500 4.900 4.907 4.907 4.907 0.007 1 0 "[ ]" 2 790 8 93 GLY CA 9 93 GLY CA 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 791 8 94 PHE CA 9 94 PHE CA 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 792 8 95 VAL CA 9 95 VAL CA 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 793 8 96 LYS CA 9 96 LYS CA 4.700 4.500 4.900 4.922 4.922 4.922 0.022 1 0 "[ ]" 2 794 8 41 GLY N 9 41 GLY N 4.700 4.500 4.900 4.968 4.968 4.968 0.068 1 0 "[ ]" 2 795 8 42 SER N 9 42 SER N 4.700 4.500 4.900 4.948 4.948 4.948 0.048 1 0 "[ ]" 2 796 8 43 LYS N 9 43 LYS N 4.700 4.500 4.900 4.940 4.940 4.940 0.040 1 0 "[ ]" 2 797 8 44 THR N 9 44 THR N 4.700 4.500 4.900 4.930 4.930 4.930 0.030 1 0 "[ ]" 2 798 8 45 LYS N 9 45 LYS N 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 799 8 46 GLU N 9 46 GLU N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 800 8 47 GLY N 9 47 GLY N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 801 8 48 VAL N 9 48 VAL N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 802 8 49 VAL N 9 49 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 803 8 52 VAL N 9 52 VAL N 4.700 4.500 4.900 4.919 4.919 4.919 0.019 1 0 "[ ]" 2 804 8 53 ALA N 9 53 ALA N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 805 8 54 THR N 9 54 THR N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 806 8 55 VAL N 9 55 VAL N 4.700 4.500 4.900 4.927 4.927 4.927 0.027 1 0 "[ ]" 2 807 8 63 VAL N 9 63 VAL N 4.700 4.500 4.900 4.960 4.960 4.960 0.060 1 0 "[ ]" 2 808 8 64 THR N 9 64 THR N 4.700 4.500 4.900 4.945 4.945 4.945 0.045 1 0 "[ ]" 2 809 8 65 ASN N 9 65 ASN N 4.700 4.500 4.900 4.938 4.938 4.938 0.038 1 0 "[ ]" 2 810 8 66 VAL N 9 66 VAL N 4.700 4.500 4.900 4.931 4.931 4.931 0.031 1 0 "[ ]" 2 811 8 68 GLY N 9 68 GLY N 4.700 4.500 4.900 4.924 4.924 4.924 0.024 1 0 "[ ]" 2 812 8 69 ALA N 9 69 ALA N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 813 8 70 VAL N 9 70 VAL N 4.700 4.500 4.900 4.915 4.915 4.915 0.015 1 0 "[ ]" 2 814 8 71 VAL N 9 71 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 815 8 72 THR N 9 72 THR N 4.700 4.500 4.900 4.910 4.910 4.910 0.010 1 0 "[ ]" 2 816 8 73 GLY N 9 73 GLY N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 817 8 74 VAL N 9 74 VAL N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 818 8 75 THR N 9 75 THR N 4.700 4.500 4.900 4.909 4.909 4.909 0.009 1 0 "[ ]" 2 819 8 76 ALA N 9 76 ALA N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 820 8 77 VAL N 9 77 VAL N 4.700 4.500 4.900 4.911 4.911 4.911 0.011 1 0 "[ ]" 2 821 8 78 ALA N 9 78 ALA N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 822 8 79 GLN N 9 79 GLN N 4.700 4.500 4.900 4.908 4.908 4.908 0.008 1 0 "[ ]" 2 823 8 81 THR N 9 81 THR N 4.700 4.500 4.900 4.916 4.916 4.916 0.016 1 0 "[ ]" 2 824 8 82 VAL N 9 82 VAL N 4.700 4.500 4.900 4.917 4.917 4.917 0.017 1 0 "[ ]" 2 825 8 83 GLU N 9 83 GLU N 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 826 8 84 GLY N 9 84 GLY N 4.700 4.500 4.900 4.920 4.920 4.920 0.020 1 0 "[ ]" 2 827 8 90 ALA N 9 90 ALA N 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 828 8 91 ALA N 9 91 ALA N 4.700 4.500 4.900 4.904 4.904 4.904 0.004 1 0 "[ ]" 2 829 8 92 THR N 9 92 THR N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 830 8 93 GLY N 9 93 GLY N 4.700 4.500 4.900 4.903 4.903 4.903 0.003 1 0 "[ ]" 2 831 8 94 PHE N 9 94 PHE N 4.700 4.500 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 2 832 8 95 VAL N 9 95 VAL N 4.700 4.500 4.900 4.913 4.913 4.913 0.013 1 0 "[ ]" 2 833 8 96 LYS N 9 96 LYS N 4.700 4.500 4.900 4.921 4.921 4.921 0.021 1 0 "[ ]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 24 _Distance_constraint_stats_list.Viol_count 13 _Distance_constraint_stats_list.Viol_total 8.301 _Distance_constraint_stats_list.Viol_max 1.383 _Distance_constraint_stats_list.Viol_rms 0.6161 _Distance_constraint_stats_list.Viol_average_all_restraints 0.3459 _Distance_constraint_stats_list.Viol_average_violations_only 0.6385 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 2 79 GLN 0.005 0.005 1 0 "[ ]" 2 80 LYS 1.383 1.383 1 1 [+] 3 46 GLU 1.383 1.383 1 1 [+] 3 79 GLN 0.009 0.005 1 0 "[ ]" 3 80 LYS 1.380 1.380 1 1 [+] 3 83 GLU 1.383 1.383 1 1 [+] 4 46 GLU 1.380 1.380 1 1 [+] 4 79 GLN 0.014 0.005 1 0 "[ ]" 4 80 LYS 2.760 1.383 1 1 [+] 4 83 GLU 1.380 1.380 1 1 [+] 5 46 GLU 1.376 1.376 1 1 [+] 5 79 GLN 0.013 0.005 1 0 "[ ]" 5 80 LYS 2.757 1.380 1 1 [+] 5 83 GLU 1.376 1.376 1 1 [+] 6 46 GLU 1.377 1.377 1 1 [+] 6 79 GLN 0.013 0.005 1 0 "[ ]" 6 80 LYS 2.755 1.379 1 1 [+] 6 83 GLU 1.377 1.377 1 1 [+] 7 46 GLU 1.379 1.379 1 1 [+] 7 79 GLN 0.012 0.005 1 0 "[ ]" 7 80 LYS 2.757 1.379 1 1 [+] 7 83 GLU 1.379 1.379 1 1 [+] 8 46 GLU 1.380 1.379 1 1 [+] 8 79 GLN 0.007 0.004 1 0 "[ ]" 8 80 LYS 1.379 1.379 1 1 [+] 8 83 GLU 1.380 1.379 1 1 [+] 9 79 GLN 0.002 0.002 1 0 "[ ]" 9 80 LYS 1.380 1.379 1 1 [+] stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 2 80 LYS NZ 3 46 GLU CD 3.700 3.500 3.900 3.899 3.899 3.899 . 0 0 "[ ]" 3 2 2 80 LYS NZ 3 46 GLU OE2 2.900 2.700 3.100 4.483 4.483 4.483 1.383 1 1 [+] 3 3 3 80 LYS NZ 4 46 GLU CD 3.700 3.500 3.900 3.897 3.897 3.897 . 0 0 "[ ]" 3 4 3 80 LYS NZ 4 46 GLU OE2 2.900 2.700 3.100 4.480 4.480 4.480 1.380 1 1 [+] 3 5 4 80 LYS NZ 5 46 GLU CD 3.700 3.500 3.900 3.893 3.893 3.893 . 0 0 "[ ]" 3 6 4 80 LYS NZ 5 46 GLU OE2 2.900 2.700 3.100 4.476 4.476 4.476 1.376 1 1 [+] 3 7 5 80 LYS NZ 6 46 GLU CD 3.700 3.500 3.900 3.896 3.896 3.896 . 0 0 "[ ]" 3 8 5 80 LYS NZ 6 46 GLU OE2 2.900 2.700 3.100 4.477 4.477 4.477 1.377 1 1 [+] 3 9 6 80 LYS NZ 7 46 GLU CD 3.700 3.500 3.900 3.899 3.899 3.899 . 0 0 "[ ]" 3 10 6 80 LYS NZ 7 46 GLU OE2 2.900 2.700 3.100 4.479 4.479 4.479 1.379 1 1 [+] 3 11 7 80 LYS NZ 8 46 GLU CD 3.700 3.500 3.900 3.901 3.901 3.901 0.001 1 0 "[ ]" 3 12 7 80 LYS NZ 8 46 GLU OE2 2.900 2.700 3.100 4.479 4.479 4.479 1.379 1 1 [+] 3 13 2 79 GLN OE1 3 79 GLN NE2 2.900 2.700 3.100 2.756 2.756 2.756 . 0 0 "[ ]" 3 14 3 79 GLN OE1 4 79 GLN NE2 2.900 2.700 3.100 2.755 2.755 2.755 . 0 0 "[ ]" 3 15 4 79 GLN OE1 5 79 GLN NE2 2.900 2.700 3.100 2.756 2.756 2.756 . 0 0 "[ ]" 3 16 5 79 GLN OE1 6 79 GLN NE2 2.900 2.700 3.100 2.758 2.758 2.758 . 0 0 "[ ]" 3 17 6 79 GLN OE1 7 79 GLN NE2 2.900 2.700 3.100 2.756 2.756 2.756 . 0 0 "[ ]" 3 18 7 79 GLN OE1 8 79 GLN NE2 2.900 2.700 3.100 2.754 2.754 2.754 . 0 0 "[ ]" 3 19 2 79 GLN CD 3 79 GLN NE2 3.700 3.500 3.900 3.905 3.905 3.905 0.005 1 0 "[ ]" 3 20 3 79 GLN CD 4 79 GLN NE2 3.700 3.500 3.900 3.904 3.904 3.904 0.004 1 0 "[ ]" 3 21 4 79 GLN CD 5 79 GLN NE2 3.700 3.500 3.900 3.904 3.904 3.904 0.004 1 0 "[ ]" 3 22 5 79 GLN CD 6 79 GLN NE2 3.700 3.500 3.900 3.905 3.905 3.905 0.005 1 0 "[ ]" 3 23 6 79 GLN CD 7 79 GLN NE2 3.700 3.500 3.900 3.904 3.904 3.904 0.004 1 0 "[ ]" 3 24 7 79 GLN CD 8 79 GLN NE2 3.700 3.500 3.900 3.902 3.902 3.902 0.002 1 0 "[ ]" 3 stop_ save_
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