NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
563951 | 2lux | 18545 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lux 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 2121 _Distance_constraint_stats_list.Viol_count 1524 _Distance_constraint_stats_list.Viol_total 469.846 _Distance_constraint_stats_list.Viol_max 0.101 _Distance_constraint_stats_list.Viol_rms 0.0043 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0006 _Distance_constraint_stats_list.Viol_average_violations_only 0.0154 _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 1 1 GLY 0.023 0.023 7 0 "[ . 1 . 2]" 1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 GLU 0.561 0.052 12 0 "[ . 1 . 2]" 1 4 LEU 0.991 0.073 3 0 "[ . 1 . 2]" 1 5 GLU 0.070 0.035 1 0 "[ . 1 . 2]" 1 6 THR 0.037 0.013 13 0 "[ . 1 . 2]" 1 7 ALA 0.079 0.060 9 0 "[ . 1 . 2]" 1 8 MET 0.606 0.045 5 0 "[ . 1 . 2]" 1 9 GLU 0.120 0.013 13 0 "[ . 1 . 2]" 1 10 THR 0.236 0.061 9 0 "[ . 1 . 2]" 1 11 LEU 0.575 0.021 10 0 "[ . 1 . 2]" 1 12 ILE 0.837 0.038 12 0 "[ . 1 . 2]" 1 13 ASN 0.007 0.004 11 0 "[ . 1 . 2]" 1 14 VAL 0.790 0.051 12 0 "[ . 1 . 2]" 1 15 PHE 0.050 0.007 19 0 "[ . 1 . 2]" 1 16 HIS 0.042 0.014 12 0 "[ . 1 . 2]" 1 17 ALA 0.174 0.014 18 0 "[ . 1 . 2]" 1 18 HIS 0.014 0.010 12 0 "[ . 1 . 2]" 1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 GLY 0.065 0.015 13 0 "[ . 1 . 2]" 1 21 LYS 0.328 0.016 12 0 "[ . 1 . 2]" 1 22 GLU 0.154 0.016 12 0 "[ . 1 . 2]" 1 25 LYS 0.065 0.015 13 0 "[ . 1 . 2]" 1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 LYS 0.098 0.014 7 0 "[ . 1 . 2]" 1 28 LEU 0.322 0.021 5 0 "[ . 1 . 2]" 1 29 SER 0.015 0.006 6 0 "[ . 1 . 2]" 1 30 LYS 1.058 0.069 2 0 "[ . 1 . 2]" 1 31 LYS 0.191 0.026 15 0 "[ . 1 . 2]" 1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 LYS 1.934 0.071 3 0 "[ . 1 . 2]" 1 35 GLU 0.251 0.065 5 0 "[ . 1 . 2]" 1 36 LEU 0.171 0.065 8 0 "[ . 1 . 2]" 1 37 LEU 0.218 0.065 8 0 "[ . 1 . 2]" 1 38 GLN 0.010 0.008 10 0 "[ . 1 . 2]" 1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 GLU 0.029 0.011 9 0 "[ . 1 . 2]" 1 41 LEU 1.433 0.081 9 0 "[ . 1 . 2]" 1 42 SER 0.342 0.081 9 0 "[ . 1 . 2]" 1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 PHE 0.034 0.015 13 0 "[ . 1 . 2]" 1 45 LEU 0.055 0.015 13 0 "[ . 1 . 2]" 1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 ALA 0.119 0.028 14 0 "[ . 1 . 2]" 1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 VAL 0.237 0.052 20 0 "[ . 1 . 2]" 1 52 ASP 0.086 0.052 20 0 "[ . 1 . 2]" 1 53 ALA 0.148 0.021 16 0 "[ . 1 . 2]" 1 54 VAL 0.128 0.026 17 0 "[ . 1 . 2]" 1 55 ASP 0.080 0.019 15 0 "[ . 1 . 2]" 1 56 LYS 0.311 0.101 6 0 "[ . 1 . 2]" 1 57 VAL 0.510 0.101 6 0 "[ . 1 . 2]" 1 58 MET 0.836 0.067 12 0 "[ . 1 . 2]" 1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 GLU 0.049 0.013 19 0 "[ . 1 . 2]" 1 61 LEU 0.324 0.022 1 0 "[ . 1 . 2]" 1 62 ASP 0.014 0.011 20 0 "[ . 1 . 2]" 1 63 GLU 0.052 0.025 17 0 "[ . 1 . 2]" 1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 GLY 0.054 0.025 17 0 "[ . 1 . 2]" 1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLY 0.158 0.062 20 0 "[ . 1 . 2]" 1 68 GLU 0.124 0.014 7 0 "[ . 1 . 2]" 1 69 VAL 0.714 0.067 12 0 "[ . 1 . 2]" 1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 PHE 0.110 0.025 16 0 "[ . 1 . 2]" 1 72 GLN 0.533 0.060 8 0 "[ . 1 . 2]" 1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 TYR 0.420 0.021 5 0 "[ . 1 . 2]" 1 75 VAL 0.602 0.099 13 0 "[ . 1 . 2]" 1 76 VAL 0.455 0.022 1 0 "[ . 1 . 2]" 1 77 LEU 0.192 0.045 14 0 "[ . 1 . 2]" 1 78 VAL 0.427 0.045 14 0 "[ . 1 . 2]" 1 79 ALA 0.263 0.098 13 0 "[ . 1 . 2]" 1 80 ALA 0.331 0.066 13 0 "[ . 1 . 2]" 1 81 LEU 0.128 0.066 13 0 "[ . 1 . 2]" 1 82 THR 0.025 0.008 13 0 "[ . 1 . 2]" 1 83 VAL 0.345 0.030 4 0 "[ . 1 . 2]" 1 84 ALA 0.013 0.010 14 0 "[ . 1 . 2]" 1 85 MET 0.604 0.028 6 0 "[ . 1 . 2]" 1 86 ASN 0.666 0.047 7 0 "[ . 1 . 2]" 1 87 ASN 0.527 0.047 7 0 "[ . 1 . 2]" 1 88 PHE 0.019 0.013 6 0 "[ . 1 . 2]" 1 89 PHE 0.224 0.024 17 0 "[ . 1 . 2]" 1 90 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 ASN 0.165 0.073 18 0 "[ . 1 . 2]" 1 93 SER 0.026 0.026 1 0 "[ . 1 . 2]" 2 1 GLY 0.022 0.022 7 0 "[ . 1 . 2]" 2 2 SER 0.000 0.000 . 0 "[ . 1 . 2]" 2 3 GLU 0.548 0.051 12 0 "[ . 1 . 2]" 2 4 LEU 1.001 0.073 3 0 "[ . 1 . 2]" 2 5 GLU 0.067 0.035 1 0 "[ . 1 . 2]" 2 6 THR 0.037 0.013 13 0 "[ . 1 . 2]" 2 7 ALA 0.081 0.061 9 0 "[ . 1 . 2]" 2 8 MET 0.558 0.044 5 0 "[ . 1 . 2]" 2 9 GLU 0.119 0.013 13 0 "[ . 1 . 2]" 2 10 THR 0.237 0.060 9 0 "[ . 1 . 2]" 2 11 LEU 0.600 0.031 12 0 "[ . 1 . 2]" 2 12 ILE 0.832 0.038 12 0 "[ . 1 . 2]" 2 13 ASN 0.007 0.004 9 0 "[ . 1 . 2]" 2 14 VAL 0.814 0.052 12 0 "[ . 1 . 2]" 2 15 PHE 0.050 0.007 14 0 "[ . 1 . 2]" 2 16 HIS 0.042 0.015 12 0 "[ . 1 . 2]" 2 17 ALA 0.162 0.014 18 0 "[ . 1 . 2]" 2 18 HIS 0.012 0.011 12 0 "[ . 1 . 2]" 2 19 SER 0.000 0.000 . 0 "[ . 1 . 2]" 2 20 GLY 0.066 0.014 13 0 "[ . 1 . 2]" 2 21 LYS 0.316 0.016 11 0 "[ . 1 . 2]" 2 22 GLU 0.154 0.016 11 0 "[ . 1 . 2]" 2 25 LYS 0.066 0.014 13 0 "[ . 1 . 2]" 2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 2 27 LYS 0.101 0.014 7 0 "[ . 1 . 2]" 2 28 LEU 0.318 0.021 5 0 "[ . 1 . 2]" 2 29 SER 0.015 0.006 6 0 "[ . 1 . 2]" 2 30 LYS 1.063 0.068 2 0 "[ . 1 . 2]" 2 31 LYS 0.192 0.027 15 0 "[ . 1 . 2]" 2 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 2 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 2 34 LYS 1.934 0.072 3 0 "[ . 1 . 2]" 2 35 GLU 0.247 0.065 5 0 "[ . 1 . 2]" 2 36 LEU 0.166 0.066 8 0 "[ . 1 . 2]" 2 37 LEU 0.219 0.066 8 0 "[ . 1 . 2]" 2 38 GLN 0.009 0.008 10 0 "[ . 1 . 2]" 2 39 THR 0.000 0.000 . 0 "[ . 1 . 2]" 2 40 GLU 0.029 0.011 7 0 "[ . 1 . 2]" 2 41 LEU 1.431 0.081 9 0 "[ . 1 . 2]" 2 42 SER 0.341 0.081 9 0 "[ . 1 . 2]" 2 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 2 44 PHE 0.034 0.015 13 0 "[ . 1 . 2]" 2 45 LEU 0.055 0.015 13 0 "[ . 1 . 2]" 2 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 2 47 ALA 0.118 0.028 14 0 "[ . 1 . 2]" 2 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 2 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 2 51 VAL 0.236 0.053 20 0 "[ . 1 . 2]" 2 52 ASP 0.086 0.053 20 0 "[ . 1 . 2]" 2 53 ALA 0.149 0.021 16 0 "[ . 1 . 2]" 2 54 VAL 0.130 0.026 17 0 "[ . 1 . 2]" 2 55 ASP 0.082 0.018 15 0 "[ . 1 . 2]" 2 56 LYS 0.310 0.100 6 0 "[ . 1 . 2]" 2 57 VAL 0.508 0.100 6 0 "[ . 1 . 2]" 2 58 MET 0.836 0.066 12 0 "[ . 1 . 2]" 2 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 2 60 GLU 0.047 0.012 19 0 "[ . 1 . 2]" 2 61 LEU 0.322 0.022 19 0 "[ . 1 . 2]" 2 62 ASP 0.013 0.010 20 0 "[ . 1 . 2]" 2 63 GLU 0.056 0.027 17 0 "[ . 1 . 2]" 2 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 2 65 GLY 0.059 0.027 17 0 "[ . 1 . 2]" 2 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 2 67 GLY 0.157 0.061 20 0 "[ . 1 . 2]" 2 68 GLU 0.127 0.014 7 0 "[ . 1 . 2]" 2 69 VAL 0.714 0.066 12 0 "[ . 1 . 2]" 2 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 2 71 PHE 0.484 0.028 14 0 "[ . 1 . 2]" 2 72 GLN 0.517 0.058 8 0 "[ . 1 . 2]" 2 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 2 74 TYR 0.382 0.021 5 0 "[ . 1 . 2]" 2 75 VAL 0.795 0.098 13 0 "[ . 1 . 2]" 2 76 VAL 0.460 0.022 19 0 "[ . 1 . 2]" 2 77 LEU 0.193 0.045 14 0 "[ . 1 . 2]" 2 78 VAL 0.428 0.045 14 0 "[ . 1 . 2]" 2 79 ALA 0.263 0.099 13 0 "[ . 1 . 2]" 2 80 ALA 0.345 0.065 13 0 "[ . 1 . 2]" 2 81 LEU 0.128 0.065 13 0 "[ . 1 . 2]" 2 82 THR 0.025 0.008 13 0 "[ . 1 . 2]" 2 83 VAL 0.201 0.031 4 0 "[ . 1 . 2]" 2 84 ALA 0.015 0.011 14 0 "[ . 1 . 2]" 2 85 MET 0.600 0.029 6 0 "[ . 1 . 2]" 2 86 ASN 0.677 0.047 7 0 "[ . 1 . 2]" 2 87 ASN 0.532 0.047 7 0 "[ . 1 . 2]" 2 88 PHE 0.019 0.013 6 0 "[ . 1 . 2]" 2 89 PHE 0.220 0.023 17 0 "[ . 1 . 2]" 2 90 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 2 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 2 92 ASN 0.165 0.073 18 0 "[ . 1 . 2]" 2 93 SER 0.027 0.027 1 0 "[ . 1 . 2]" 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 1 3 GLU HA 2 10 THR MG 4.500 . 5.000 4.069 3.765 4.743 . 0 0 "[ . 1 . 2]" 1 2 1 3 GLU QB 2 10 THR MG 3.800 . 4.300 2.683 2.132 3.863 . 0 0 "[ . 1 . 2]" 1 3 1 3 GLU HB3 2 10 THR MG 4.500 . 5.000 2.767 2.198 4.052 . 0 0 "[ . 1 . 2]" 1 4 1 3 GLU HB2 2 10 THR MG 4.500 . 5.000 3.655 2.870 4.870 . 0 0 "[ . 1 . 2]" 1 5 1 3 GLU QG 2 10 THR MG 3.800 . 4.300 3.668 2.070 4.144 . 0 0 "[ . 1 . 2]" 1 6 1 3 GLU HG3 2 10 THR MG 4.500 . 5.000 4.437 2.459 5.038 0.038 9 0 "[ . 1 . 2]" 1 7 1 3 GLU HG2 2 10 THR MG 4.500 . 5.000 4.031 2.089 5.013 0.013 6 0 "[ . 1 . 2]" 1 8 1 3 GLU QB 2 14 VAL MG1 4.500 . 5.000 2.876 2.347 3.631 . 0 0 "[ . 1 . 2]" 1 9 1 3 GLU HB3 2 14 VAL MG1 4.500 . 5.000 3.538 3.225 4.420 . 0 0 "[ . 1 . 2]" 1 10 1 3 GLU HB2 2 14 VAL MG1 4.500 . 5.000 3.246 2.392 5.004 0.004 18 0 "[ . 1 . 2]" 1 11 1 3 GLU QG 2 14 VAL MG1 4.500 . 5.000 4.082 3.603 4.320 . 0 0 "[ . 1 . 2]" 1 12 1 3 GLU HG3 2 14 VAL MG1 4.500 . 5.000 4.630 3.984 5.043 0.043 7 0 "[ . 1 . 2]" 1 13 1 3 GLU HG2 2 14 VAL MG1 4.500 . 5.000 4.697 3.863 5.052 0.052 12 0 "[ . 1 . 2]" 1 14 1 4 LEU HA 2 10 THR HB 4.500 . 5.000 4.534 3.380 5.013 0.013 4 0 "[ . 1 . 2]" 1 15 1 4 LEU HA 2 10 THR MG 3.800 . 4.300 3.053 2.541 4.325 0.025 9 0 "[ . 1 . 2]" 1 16 1 4 LEU QD 2 11 LEU HB2 5.200 . 5.700 5.059 4.749 5.707 0.007 13 0 "[ . 1 . 2]" 1 17 1 4 LEU QD 2 14 VAL HB 4.500 . 5.000 3.886 2.823 4.157 . 0 0 "[ . 1 . 2]" 1 18 1 4 LEU HA 2 14 VAL MG1 4.500 . 5.000 3.696 3.395 4.404 . 0 0 "[ . 1 . 2]" 1 19 1 4 LEU QB 2 14 VAL MG1 3.800 . 4.300 3.224 2.429 4.039 . 0 0 "[ . 1 . 2]" 1 20 1 4 LEU H 2 14 VAL MG1 4.500 . 5.000 3.658 2.860 4.399 . 0 0 "[ . 1 . 2]" 1 21 1 4 LEU QB 2 14 VAL MG2 3.800 . 4.300 3.383 2.678 4.192 . 0 0 "[ . 1 . 2]" 1 22 1 4 LEU QD 2 14 VAL MG2 3.800 . 4.300 2.266 1.780 2.497 0.020 12 0 "[ . 1 . 2]" 1 23 1 4 LEU MD1 2 14 VAL MG2 4.500 . 5.000 2.299 2.028 2.534 . 0 0 "[ . 1 . 2]" 1 24 1 4 LEU MD2 2 14 VAL MG2 4.500 . 5.000 3.778 1.971 4.474 . 0 0 "[ . 1 . 2]" 1 25 1 4 LEU HG 2 14 VAL MG2 4.500 . 5.000 4.836 3.644 5.044 0.044 18 0 "[ . 1 . 2]" 1 26 1 4 LEU QB 2 40 GLU QB 3.800 . 4.300 2.477 2.019 3.565 . 0 0 "[ . 1 . 2]" 1 27 1 4 LEU QD 2 40 GLU QB 3.800 . 4.300 2.402 1.978 3.814 . 0 0 "[ . 1 . 2]" 1 28 1 4 LEU QD 2 41 LEU QD 4.500 . 5.000 2.892 2.576 4.102 . 0 0 "[ . 1 . 2]" 1 29 1 4 LEU QD 2 41 LEU HG 4.500 . 5.000 4.833 3.379 5.073 0.073 3 0 "[ . 1 . 2]" 1 30 1 4 LEU QD 2 74 TYR HE2 4.500 . 5.000 3.592 3.003 4.005 . 0 0 "[ . 1 . 2]" 1 31 1 4 LEU MD1 2 74 TYR HE2 5.200 . 5.700 3.730 3.026 4.253 . 0 0 "[ . 1 . 2]" 1 32 1 4 LEU MD2 2 74 TYR HE2 5.200 . 5.700 4.823 4.037 5.498 . 0 0 "[ . 1 . 2]" 1 33 1 4 LEU QD 2 78 VAL HB 5.200 . 5.700 3.150 2.462 4.442 . 0 0 "[ . 1 . 2]" 1 34 1 4 LEU QD 2 78 VAL MG1 3.800 . 4.300 2.719 2.268 3.551 . 0 0 "[ . 1 . 2]" 1 35 1 4 LEU MD1 2 78 VAL MG1 4.500 . 5.000 3.067 2.485 3.996 . 0 0 "[ . 1 . 2]" 1 36 1 4 LEU MD2 2 78 VAL MG1 4.500 . 5.000 3.147 2.450 4.795 . 0 0 "[ . 1 . 2]" 1 37 1 4 LEU QD 2 78 VAL MG2 3.800 . 4.300 3.487 2.808 4.327 0.027 12 0 "[ . 1 . 2]" 1 38 1 5 GLU HA 2 41 LEU QD 4.500 . 5.000 4.196 3.370 5.035 0.035 1 0 "[ . 1 . 2]" 1 39 1 5 GLU QG 2 41 LEU QD 3.800 . 4.300 3.567 2.300 4.310 0.010 11 0 "[ . 1 . 2]" 1 40 1 7 ALA HA 2 10 THR HB 4.500 . 5.000 4.656 4.263 5.060 0.060 9 0 "[ . 1 . 2]" 1 41 1 7 ALA MB 2 10 THR HB 3.800 . 4.300 2.327 2.122 2.808 . 0 0 "[ . 1 . 2]" 1 42 1 7 ALA HA 2 10 THR MG 4.500 . 5.000 4.267 3.464 4.735 . 0 0 "[ . 1 . 2]" 1 43 1 7 ALA MB 2 10 THR MG 3.800 . 4.300 2.251 2.017 2.655 . 0 0 "[ . 1 . 2]" 1 44 1 7 ALA H 2 10 THR MG 4.500 . 5.000 3.674 3.379 4.045 . 0 0 "[ . 1 . 2]" 1 45 1 7 ALA MB 2 10 THR H 4.500 . 5.000 4.094 3.826 4.509 . 0 0 "[ . 1 . 2]" 1 46 1 7 ALA MB 2 11 LEU HG 4.500 . 5.000 3.954 3.645 4.357 . 0 0 "[ . 1 . 2]" 1 47 1 8 MET ME 2 41 LEU HA 4.500 . 5.000 4.850 3.965 5.045 0.045 5 0 "[ . 1 . 2]" 1 48 1 8 MET ME 2 41 LEU QD 2.800 . 3.300 2.688 2.307 3.073 . 0 0 "[ . 1 . 2]" 1 49 1 8 MET ME 2 41 LEU MD1 3.800 . 4.300 3.060 2.316 4.343 0.043 7 0 "[ . 1 . 2]" 1 50 1 8 MET ME 2 41 LEU MD2 3.800 . 4.300 3.855 2.553 4.327 0.027 6 0 "[ . 1 . 2]" 1 51 1 8 MET ME 2 82 THR HA 3.800 . 4.300 2.995 2.567 3.535 . 0 0 "[ . 1 . 2]" 1 52 1 8 MET QG 2 82 THR HA 5.200 . 5.700 3.517 2.933 4.940 . 0 0 "[ . 1 . 2]" 1 53 1 8 MET ME 2 82 THR HB 5.200 . 5.700 4.900 4.403 5.704 0.004 13 0 "[ . 1 . 2]" 1 54 1 8 MET HB2 2 82 THR MG 3.800 . 4.300 3.787 2.017 4.225 . 0 0 "[ . 1 . 2]" 1 55 1 10 THR MG 2 3 GLU HA 4.500 . 5.000 4.068 3.764 4.744 . 0 0 "[ . 1 . 2]" 1 56 1 10 THR MG 2 3 GLU QB 3.800 . 4.300 2.683 2.131 3.863 . 0 0 "[ . 1 . 2]" 1 57 1 10 THR MG 2 3 GLU HB3 4.500 . 5.000 2.767 2.198 4.051 . 0 0 "[ . 1 . 2]" 1 58 1 10 THR MG 2 3 GLU HB2 4.500 . 5.000 3.654 2.867 4.871 . 0 0 "[ . 1 . 2]" 1 59 1 10 THR MG 2 3 GLU QG 3.800 . 4.300 3.668 2.070 4.144 . 0 0 "[ . 1 . 2]" 1 60 1 10 THR MG 2 3 GLU HG3 4.500 . 5.000 4.436 2.459 5.037 0.037 9 0 "[ . 1 . 2]" 1 61 1 10 THR MG 2 3 GLU HG2 4.500 . 5.000 4.030 2.088 5.013 0.013 6 0 "[ . 1 . 2]" 1 62 1 10 THR HB 2 4 LEU HA 4.500 . 5.000 4.533 3.379 5.013 0.013 4 0 "[ . 1 . 2]" 1 63 1 10 THR MG 2 4 LEU HA 3.800 . 4.300 3.052 2.539 4.325 0.025 9 0 "[ . 1 . 2]" 1 64 1 10 THR HB 2 7 ALA HA 4.500 . 5.000 4.656 4.262 5.061 0.061 9 0 "[ . 1 . 2]" 1 65 1 10 THR MG 2 7 ALA HA 4.500 . 5.000 4.267 3.464 4.736 . 0 0 "[ . 1 . 2]" 1 66 1 10 THR HB 2 7 ALA MB 3.800 . 4.300 2.327 2.122 2.808 . 0 0 "[ . 1 . 2]" 1 67 1 10 THR MG 2 7 ALA MB 3.800 . 4.300 2.251 2.016 2.655 . 0 0 "[ . 1 . 2]" 1 68 1 10 THR H 2 7 ALA MB 4.500 . 5.000 4.094 3.826 4.509 . 0 0 "[ . 1 . 2]" 1 69 1 10 THR MG 2 7 ALA H 4.500 . 5.000 3.674 3.378 4.045 . 0 0 "[ . 1 . 2]" 1 70 1 11 LEU HB2 2 4 LEU QD 5.200 . 5.700 5.059 4.751 5.707 0.007 13 0 "[ . 1 . 2]" 1 71 1 11 LEU HG 2 7 ALA MB 4.500 . 5.000 3.954 3.646 4.357 . 0 0 "[ . 1 . 2]" 1 72 1 12 ILE MD 2 82 THR MG 3.800 . 4.300 3.507 3.124 3.905 . 0 0 "[ . 1 . 2]" 1 73 1 12 ILE MG 2 82 THR MG 5.200 . 5.700 5.384 4.993 5.701 0.001 19 0 "[ . 1 . 2]" 1 74 1 12 ILE H 2 82 THR MG 4.500 . 5.000 4.668 4.071 5.008 0.008 19 0 "[ . 1 . 2]" 1 75 1 12 ILE MD 2 85 MET QB 4.500 . 5.000 2.895 2.083 3.496 . 0 0 "[ . 1 . 2]" 1 76 1 12 ILE MD 2 85 MET ME 5.200 . 5.700 2.668 1.771 4.097 0.029 6 0 "[ . 1 . 2]" 1 77 1 12 ILE MD 2 85 MET QG 4.500 . 5.000 3.161 2.207 3.801 . 0 0 "[ . 1 . 2]" 1 78 1 12 ILE MD 2 85 MET HG3 4.500 . 5.000 3.902 2.656 5.020 0.020 6 0 "[ . 1 . 2]" 1 79 1 12 ILE MD 2 85 MET HG2 4.500 . 5.000 3.496 2.358 4.866 . 0 0 "[ . 1 . 2]" 1 80 1 12 ILE MD 2 86 ASN HA 4.500 . 5.000 3.173 3.018 3.494 . 0 0 "[ . 1 . 2]" 1 81 1 12 ILE MG 2 86 ASN HA 5.200 . 5.700 4.291 3.527 4.733 . 0 0 "[ . 1 . 2]" 1 82 1 12 ILE MD 2 86 ASN QB 3.800 . 4.300 3.522 3.093 4.211 . 0 0 "[ . 1 . 2]" 1 83 1 12 ILE MD 2 86 ASN HB3 4.500 . 5.000 4.697 3.226 5.029 0.029 13 0 "[ . 1 . 2]" 1 84 1 12 ILE MD 2 86 ASN HB2 4.500 . 5.000 3.764 3.252 5.003 0.003 7 0 "[ . 1 . 2]" 1 85 1 12 ILE MD 2 86 ASN H 4.500 . 5.000 3.788 3.554 3.987 . 0 0 "[ . 1 . 2]" 1 86 1 12 ILE MD 2 87 ASN H 5.200 . 5.700 5.690 5.530 5.738 0.038 12 0 "[ . 1 . 2]" 1 87 1 14 VAL MG1 2 3 GLU QB 4.500 . 5.000 2.876 2.345 3.630 . 0 0 "[ . 1 . 2]" 1 88 1 14 VAL MG1 2 3 GLU HB3 4.500 . 5.000 3.538 3.227 4.421 . 0 0 "[ . 1 . 2]" 1 89 1 14 VAL MG1 2 3 GLU HB2 4.500 . 5.000 3.245 2.390 5.004 0.004 18 0 "[ . 1 . 2]" 1 90 1 14 VAL MG1 2 3 GLU QG 4.500 . 5.000 4.082 3.602 4.318 . 0 0 "[ . 1 . 2]" 1 91 1 14 VAL MG1 2 3 GLU HG3 4.500 . 5.000 4.629 3.982 5.044 0.044 7 0 "[ . 1 . 2]" 1 92 1 14 VAL MG1 2 3 GLU HG2 4.500 . 5.000 4.696 3.862 5.051 0.051 12 0 "[ . 1 . 2]" 1 93 1 14 VAL MG1 2 4 LEU HA 4.500 . 5.000 3.695 3.394 4.403 . 0 0 "[ . 1 . 2]" 1 94 1 14 VAL MG1 2 4 LEU QB 3.800 . 4.300 3.223 2.428 4.039 . 0 0 "[ . 1 . 2]" 1 95 1 14 VAL MG2 2 4 LEU QB 3.800 . 4.300 3.382 2.675 4.193 . 0 0 "[ . 1 . 2]" 1 96 1 14 VAL HB 2 4 LEU QD 4.500 . 5.000 3.885 2.823 4.157 . 0 0 "[ . 1 . 2]" 1 97 1 14 VAL MG2 2 4 LEU QD 3.800 . 4.300 2.265 1.781 2.497 0.019 12 0 "[ . 1 . 2]" 1 98 1 14 VAL MG2 2 4 LEU MD1 4.500 . 5.000 2.298 2.028 2.532 . 0 0 "[ . 1 . 2]" 1 99 1 14 VAL MG2 2 4 LEU MD2 4.500 . 5.000 3.776 1.972 4.471 . 0 0 "[ . 1 . 2]" 1 100 1 14 VAL MG2 2 4 LEU HG 4.500 . 5.000 4.835 3.644 5.043 0.043 3 0 "[ . 1 . 2]" 1 101 1 14 VAL MG1 2 4 LEU H 4.500 . 5.000 3.657 2.858 4.398 . 0 0 "[ . 1 . 2]" 1 102 1 40 GLU QB 2 4 LEU QB 3.800 . 4.300 2.477 2.018 3.564 . 0 0 "[ . 1 . 2]" 1 103 1 40 GLU QB 2 4 LEU QD 3.800 . 4.300 2.402 1.978 3.814 . 0 0 "[ . 1 . 2]" 1 104 1 41 LEU QD 2 4 LEU QD 4.500 . 5.000 2.893 2.576 4.102 . 0 0 "[ . 1 . 2]" 1 105 1 41 LEU HG 2 4 LEU QD 4.500 . 5.000 4.834 3.380 5.073 0.073 3 0 "[ . 1 . 2]" 1 106 1 41 LEU QD 2 5 GLU HA 4.500 . 5.000 4.195 3.369 5.035 0.035 1 0 "[ . 1 . 2]" 1 107 1 41 LEU QD 2 5 GLU QG 3.800 . 4.300 3.567 2.299 4.310 0.010 11 0 "[ . 1 . 2]" 1 108 1 41 LEU HA 2 8 MET ME 4.500 . 5.000 4.849 3.966 5.044 0.044 5 0 "[ . 1 . 2]" 1 109 1 41 LEU QD 2 8 MET ME 2.800 . 3.300 2.688 2.307 3.073 . 0 0 "[ . 1 . 2]" 1 110 1 41 LEU MD1 2 8 MET ME 3.800 . 4.300 3.059 2.316 4.344 0.044 7 0 "[ . 1 . 2]" 1 111 1 41 LEU MD2 2 8 MET ME 3.800 . 4.300 3.854 2.552 4.326 0.026 6 0 "[ . 1 . 2]" 1 112 1 71 PHE HE2 2 82 THR MG 3.800 . 4.300 2.728 2.408 3.051 . 0 0 "[ . 1 . 2]" 1 113 1 71 PHE HD2 2 83 VAL HA 4.500 . 5.000 3.232 3.036 3.429 . 0 0 "[ . 1 . 2]" 1 114 1 71 PHE HE2 2 83 VAL HA 3.800 . 4.300 2.432 2.262 2.827 . 0 0 "[ . 1 . 2]" 1 115 1 71 PHE HD2 2 83 VAL MG1 4.500 . 5.000 3.084 2.947 3.239 . 0 0 "[ . 1 . 2]" 1 116 1 71 PHE HE2 2 83 VAL MG1 4.500 . 5.000 3.926 3.653 4.165 . 0 0 "[ . 1 . 2]" 1 117 1 71 PHE HA 2 83 VAL MG2 5.200 . 5.700 5.581 5.431 5.679 . 0 0 "[ . 1 . 2]" 1 118 1 71 PHE HD2 2 83 VAL MG2 3.800 . 4.300 2.594 2.349 2.833 . 0 0 "[ . 1 . 2]" 1 119 1 71 PHE HE2 2 83 VAL MG2 4.500 . 5.000 2.915 2.469 3.179 . 0 0 "[ . 1 . 2]" 1 120 1 71 PHE HE2 2 86 ASN QD 4.500 . 5.000 4.645 1.800 5.025 0.025 16 0 "[ . 1 . 2]" 1 121 1 72 GLN HA 2 80 ALA HA 5.200 . 5.700 5.690 5.461 5.760 0.060 8 0 "[ . 1 . 2]" 1 122 1 72 GLN QE 2 83 VAL HB 4.500 . 5.000 4.395 3.978 5.031 0.031 4 0 "[ . 1 . 2]" 1 123 1 72 GLN HA 2 83 VAL MG1 5.200 . 5.700 3.675 3.522 3.874 . 0 0 "[ . 1 . 2]" 1 124 1 72 GLN QB 2 83 VAL MG1 4.500 . 5.000 3.110 2.943 3.341 . 0 0 "[ . 1 . 2]" 1 125 1 72 GLN HA 2 83 VAL MG2 3.800 . 4.300 2.273 2.174 2.416 . 0 0 "[ . 1 . 2]" 1 126 1 72 GLN QB 2 83 VAL MG2 4.500 . 5.000 3.101 2.838 3.273 . 0 0 "[ . 1 . 2]" 1 127 1 72 GLN HG3 2 83 VAL MG2 4.500 . 5.000 2.243 2.154 2.420 . 0 0 "[ . 1 . 2]" 1 128 1 72 GLN HG2 2 83 VAL MG2 4.500 . 5.000 3.617 3.525 3.769 . 0 0 "[ . 1 . 2]" 1 129 1 72 GLN H 2 83 VAL MG2 4.500 . 5.000 4.098 3.933 4.332 . 0 0 "[ . 1 . 2]" 1 130 1 74 TYR HE2 2 4 LEU QD 4.500 . 5.000 3.591 3.001 4.006 . 0 0 "[ . 1 . 2]" 1 131 1 74 TYR HE2 2 4 LEU MD1 5.200 . 5.700 3.729 3.024 4.253 . 0 0 "[ . 1 . 2]" 1 132 1 74 TYR HE2 2 4 LEU MD2 5.200 . 5.700 4.822 4.033 5.494 . 0 0 "[ . 1 . 2]" 1 133 1 75 VAL MG1 2 79 ALA HA 4.500 . 5.000 3.279 2.442 3.524 . 0 0 "[ . 1 . 2]" 1 134 1 75 VAL MG2 2 79 ALA HA 4.500 . 5.000 2.487 2.175 3.511 . 0 0 "[ . 1 . 2]" 1 135 1 75 VAL HA 2 79 ALA MB 4.500 . 5.000 4.070 3.838 4.389 . 0 0 "[ . 1 . 2]" 1 136 1 75 VAL HB 2 79 ALA MB 4.500 . 5.000 4.220 4.105 4.485 . 0 0 "[ . 1 . 2]" 1 137 1 75 VAL MG1 2 79 ALA MB 3.800 . 4.300 2.050 1.820 2.199 . 0 0 "[ . 1 . 2]" 1 138 1 75 VAL MG2 2 79 ALA MB 3.800 . 4.300 2.333 2.058 3.602 . 0 0 "[ . 1 . 2]" 1 139 1 75 VAL MG1 2 79 ALA H 5.200 . 5.700 4.806 4.220 5.096 . 0 0 "[ . 1 . 2]" 1 140 1 75 VAL MG2 2 79 ALA H 5.200 . 5.700 4.702 4.377 5.799 0.099 13 0 "[ . 1 . 2]" 1 141 1 75 VAL MG1 2 82 THR HB 4.500 . 5.000 3.508 2.798 3.747 . 0 0 "[ . 1 . 2]" 1 142 1 75 VAL MG2 2 82 THR HB 4.500 . 5.000 2.251 2.140 2.724 . 0 0 "[ . 1 . 2]" 1 143 1 75 VAL MG1 2 82 THR MG 4.500 . 5.000 4.101 3.603 4.317 . 0 0 "[ . 1 . 2]" 1 144 1 75 VAL MG2 2 82 THR MG 4.500 . 5.000 2.464 2.112 2.657 . 0 0 "[ . 1 . 2]" 1 145 1 75 VAL HB 2 83 VAL MG2 4.500 . 5.000 3.272 2.924 3.478 . 0 0 "[ . 1 . 2]" 1 146 1 75 VAL MG1 2 83 VAL MG2 3.800 . 4.300 2.163 2.025 2.669 . 0 0 "[ . 1 . 2]" 1 147 1 75 VAL MG2 2 83 VAL MG2 3.800 . 4.300 3.090 2.392 3.376 . 0 0 "[ . 1 . 2]" 1 148 1 76 VAL HA 2 79 ALA MB 3.800 . 4.300 2.871 2.645 3.412 . 0 0 "[ . 1 . 2]" 1 149 1 78 VAL HB 2 4 LEU QD 5.200 . 5.700 3.150 2.464 4.444 . 0 0 "[ . 1 . 2]" 1 150 1 78 VAL MG1 2 4 LEU QD 3.800 . 4.300 2.719 2.267 3.552 . 0 0 "[ . 1 . 2]" 1 151 1 78 VAL MG2 2 4 LEU QD 3.800 . 4.300 3.487 2.807 4.328 0.028 12 0 "[ . 1 . 2]" 1 152 1 78 VAL MG1 2 4 LEU MD1 4.500 . 5.000 3.067 2.485 3.997 . 0 0 "[ . 1 . 2]" 1 153 1 78 VAL MG1 2 4 LEU MD2 4.500 . 5.000 3.146 2.449 4.796 . 0 0 "[ . 1 . 2]" 1 154 1 79 ALA MB 2 75 VAL HA 4.500 . 5.000 4.070 3.838 4.389 . 0 0 "[ . 1 . 2]" 1 155 1 79 ALA MB 2 75 VAL HB 4.500 . 5.000 4.222 4.108 4.485 . 0 0 "[ . 1 . 2]" 1 156 1 79 ALA HA 2 75 VAL MG1 4.500 . 5.000 3.277 2.442 3.525 . 0 0 "[ . 1 . 2]" 1 157 1 79 ALA MB 2 75 VAL MG1 2.800 . 3.300 2.049 1.820 2.198 . 0 0 "[ . 1 . 2]" 1 158 1 79 ALA H 2 75 VAL MG1 5.200 . 5.700 4.805 4.220 5.096 . 0 0 "[ . 1 . 2]" 1 159 1 79 ALA HA 2 75 VAL MG2 3.800 . 4.300 2.492 2.183 3.510 . 0 0 "[ . 1 . 2]" 1 160 1 79 ALA MB 2 75 VAL MG2 3.800 . 4.300 2.339 2.066 3.602 . 0 0 "[ . 1 . 2]" 1 161 1 79 ALA H 2 75 VAL MG2 5.200 . 5.700 4.708 4.386 5.798 0.098 13 0 "[ . 1 . 2]" 1 162 1 79 ALA MB 2 76 VAL HA 3.800 . 4.300 2.871 2.646 3.413 . 0 0 "[ . 1 . 2]" 1 163 1 80 ALA HA 2 72 GLN HA 5.200 . 5.700 5.688 5.460 5.758 0.058 8 0 "[ . 1 . 2]" 1 164 1 82 THR MG 2 8 MET HB2 3.800 . 4.300 3.787 2.016 4.225 . 0 0 "[ . 1 . 2]" 1 165 1 82 THR HA 2 8 MET ME 3.800 . 4.300 2.995 2.568 3.536 . 0 0 "[ . 1 . 2]" 1 166 1 82 THR HB 2 8 MET ME 5.200 . 5.700 4.900 4.404 5.705 0.005 13 0 "[ . 1 . 2]" 1 167 1 82 THR HA 2 8 MET QG 5.200 . 5.700 3.517 2.935 4.941 . 0 0 "[ . 1 . 2]" 1 168 1 82 THR MG 2 12 ILE MD 3.800 . 4.300 3.506 3.124 3.904 . 0 0 "[ . 1 . 2]" 1 169 1 82 THR MG 2 12 ILE MG 5.200 . 5.700 5.384 4.993 5.700 . 0 0 "[ . 1 . 2]" 1 170 1 82 THR MG 2 12 ILE H 4.500 . 5.000 4.667 4.070 5.006 0.006 19 0 "[ . 1 . 2]" 1 171 1 82 THR MG 2 71 PHE HE2 3.800 . 4.300 2.728 2.409 3.051 . 0 0 "[ . 1 . 2]" 1 172 1 82 THR HB 2 75 VAL MG1 4.500 . 5.000 3.507 2.798 3.745 . 0 0 "[ . 1 . 2]" 1 173 1 82 THR MG 2 75 VAL MG1 4.500 . 5.000 4.100 3.602 4.316 . 0 0 "[ . 1 . 2]" 1 174 1 82 THR HB 2 75 VAL MG2 4.500 . 5.000 2.250 2.136 2.724 . 0 0 "[ . 1 . 2]" 1 175 1 82 THR MG 2 75 VAL MG2 3.800 . 4.300 2.462 2.110 2.657 . 0 0 "[ . 1 . 2]" 1 176 1 83 VAL MG2 2 71 PHE HA 5.200 . 5.700 5.579 5.429 5.675 . 0 0 "[ . 1 . 2]" 1 177 1 83 VAL HA 2 71 PHE HD2 4.500 . 5.000 3.228 3.033 3.426 . 0 0 "[ . 1 . 2]" 1 178 1 83 VAL MG1 2 71 PHE HD2 4.500 . 5.000 3.074 2.922 3.233 . 0 0 "[ . 1 . 2]" 1 179 1 83 VAL MG2 2 71 PHE HD2 3.800 . 4.300 2.593 2.350 2.832 . 0 0 "[ . 1 . 2]" 1 180 1 83 VAL HA 2 71 PHE HE2 3.800 . 4.300 2.426 2.253 2.822 . 0 0 "[ . 1 . 2]" 1 181 1 83 VAL MG1 2 71 PHE HE2 4.500 . 5.000 3.919 3.647 4.160 . 0 0 "[ . 1 . 2]" 1 182 1 83 VAL MG2 2 71 PHE HE2 4.500 . 5.000 2.912 2.463 3.178 . 0 0 "[ . 1 . 2]" 1 183 1 83 VAL MG1 2 72 GLN HA 5.200 . 5.700 3.671 3.516 3.873 . 0 0 "[ . 1 . 2]" 1 184 1 83 VAL MG2 2 72 GLN HA 3.800 . 4.300 2.271 2.172 2.415 . 0 0 "[ . 1 . 2]" 1 185 1 83 VAL MG1 2 72 GLN QB 4.500 . 5.000 3.107 2.939 3.339 . 0 0 "[ . 1 . 2]" 1 186 1 83 VAL MG2 2 72 GLN QB 4.500 . 5.000 3.101 2.837 3.270 . 0 0 "[ . 1 . 2]" 1 187 1 83 VAL HB 2 72 GLN QE 4.500 . 5.000 4.393 3.978 5.030 0.030 4 0 "[ . 1 . 2]" 1 188 1 83 VAL MG2 2 72 GLN HG3 4.500 . 5.000 2.242 2.155 2.419 . 0 0 "[ . 1 . 2]" 1 189 1 83 VAL MG2 2 72 GLN HG2 4.500 . 5.000 3.616 3.524 3.768 . 0 0 "[ . 1 . 2]" 1 190 1 83 VAL MG2 2 72 GLN H 4.500 . 5.000 4.096 3.933 4.329 . 0 0 "[ . 1 . 2]" 1 191 1 83 VAL MG2 2 75 VAL HB 4.500 . 5.000 3.270 2.923 3.477 . 0 0 "[ . 1 . 2]" 1 192 1 83 VAL MG2 2 75 VAL MG1 3.800 . 4.300 2.162 2.024 2.669 . 0 0 "[ . 1 . 2]" 1 193 1 83 VAL MG2 2 75 VAL MG2 3.800 . 4.300 3.087 2.391 3.374 . 0 0 "[ . 1 . 2]" 1 194 1 85 MET QB 2 12 ILE MD 4.500 . 5.000 2.893 2.082 3.500 . 0 0 "[ . 1 . 2]" 1 195 1 85 MET ME 2 12 ILE MD 5.200 . 5.700 2.667 1.772 4.097 0.028 6 0 "[ . 1 . 2]" 1 196 1 85 MET QG 2 12 ILE MD 4.500 . 5.000 3.159 2.206 3.792 . 0 0 "[ . 1 . 2]" 1 197 1 85 MET HG3 2 12 ILE MD 4.500 . 5.000 3.901 2.656 5.021 0.021 3 0 "[ . 1 . 2]" 1 198 1 85 MET HG2 2 12 ILE MD 4.500 . 5.000 3.494 2.357 4.858 . 0 0 "[ . 1 . 2]" 1 199 1 86 ASN HA 2 12 ILE MD 4.500 . 5.000 3.172 3.018 3.495 . 0 0 "[ . 1 . 2]" 1 200 1 86 ASN QB 2 12 ILE MD 3.800 . 4.300 3.522 3.093 4.211 . 0 0 "[ . 1 . 2]" 1 201 1 86 ASN HB3 2 12 ILE MD 4.500 . 5.000 4.697 3.226 5.028 0.028 13 0 "[ . 1 . 2]" 1 202 1 86 ASN HB2 2 12 ILE MD 4.500 . 5.000 3.765 3.252 5.003 0.003 7 0 "[ . 1 . 2]" 1 203 1 86 ASN H 2 12 ILE MD 4.500 . 5.000 3.787 3.554 3.985 . 0 0 "[ . 1 . 2]" 1 204 1 86 ASN HA 2 12 ILE MG 5.200 . 5.700 4.289 3.525 4.734 . 0 0 "[ . 1 . 2]" 1 205 1 86 ASN QD 2 71 PHE HE2 4.500 . 5.000 4.644 1.798 5.025 0.025 14 0 "[ . 1 . 2]" 1 206 1 87 ASN H 2 12 ILE MD 5.200 . 5.700 5.689 5.530 5.738 0.038 12 0 "[ . 1 . 2]" 1 207 1 4 LEU QD 2 11 LEU MD1 4.500 . 5.000 3.829 3.538 4.400 . 0 0 "[ . 1 . 2]" 1 208 1 4 LEU QD 2 11 LEU MD2 3.800 . 4.300 2.026 1.786 2.581 0.014 9 0 "[ . 1 . 2]" 1 209 1 4 LEU HG 2 11 LEU MD2 4.500 . 5.000 3.826 2.029 4.674 . 0 0 "[ . 1 . 2]" 1 210 1 7 ALA MB 2 11 LEU MD2 3.800 . 4.300 3.041 2.679 3.455 . 0 0 "[ . 1 . 2]" 1 211 1 8 MET H 2 11 LEU MD2 4.500 . 5.000 4.768 4.481 5.031 0.031 12 0 "[ . 1 . 2]" 1 212 1 11 LEU QD 2 4 LEU QD 3.800 . 4.300 2.018 1.781 2.564 0.019 9 0 "[ . 1 . 2]" 1 213 1 11 LEU QD 2 4 LEU HG 4.500 . 5.000 3.779 2.023 4.622 . 0 0 "[ . 1 . 2]" 1 214 1 11 LEU QD 2 7 ALA MB 3.800 . 4.300 2.993 2.647 3.390 . 0 0 "[ . 1 . 2]" 1 215 1 11 LEU QD 2 8 MET H 4.500 . 5.000 4.643 4.361 4.917 . 0 0 "[ . 1 . 2]" 1 216 1 71 PHE QB 2 83 VAL MG1 3.800 . 4.300 4.197 4.139 4.241 . 0 0 "[ . 1 . 2]" 1 217 1 71 PHE QB 2 83 VAL MG2 4.500 . 5.000 4.245 4.065 4.457 . 0 0 "[ . 1 . 2]" 1 218 1 75 VAL QG 2 79 ALA HA 3.800 . 4.300 2.314 2.150 2.690 . 0 0 "[ . 1 . 2]" 1 219 1 75 VAL QG 2 79 ALA MB 2.800 . 3.300 1.868 1.802 2.001 . 0 0 "[ . 1 . 2]" 1 220 1 75 VAL QG 2 80 ALA HA 3.800 . 4.300 3.470 3.172 3.731 . 0 0 "[ . 1 . 2]" 1 221 1 75 VAL QG 2 80 ALA MB 4.500 . 5.000 4.289 4.120 4.503 . 0 0 "[ . 1 . 2]" 1 222 1 75 VAL QG 2 80 ALA H 4.500 . 5.000 3.970 3.729 4.213 . 0 0 "[ . 1 . 2]" 1 223 1 75 VAL QG 2 81 LEU H 5.200 . 5.700 4.938 4.758 5.133 . 0 0 "[ . 1 . 2]" 1 224 1 75 VAL QG 2 82 THR HB 3.800 . 4.300 2.212 2.125 2.580 . 0 0 "[ . 1 . 2]" 1 225 1 75 VAL QG 2 82 THR MG 3.800 . 4.300 2.444 2.103 2.618 . 0 0 "[ . 1 . 2]" 1 226 1 75 VAL QG 2 82 THR H 4.500 . 5.000 3.921 3.800 4.113 . 0 0 "[ . 1 . 2]" 1 227 1 75 VAL QG 2 83 VAL MG2 3.800 . 4.300 2.103 2.002 2.455 . 0 0 "[ . 1 . 2]" 1 228 1 76 VAL QG 2 80 ALA HA 4.500 . 5.000 4.151 3.874 4.620 . 0 0 "[ . 1 . 2]" 1 229 1 80 ALA HA 2 75 VAL MG1 3.800 . 4.300 3.573 3.213 3.798 . 0 0 "[ . 1 . 2]" 1 230 1 80 ALA MB 2 75 VAL MG1 4.500 . 5.000 4.499 4.221 4.684 . 0 0 "[ . 1 . 2]" 1 231 1 80 ALA H 2 75 VAL MG1 4.500 . 5.000 4.258 3.786 4.502 . 0 0 "[ . 1 . 2]" 1 232 1 80 ALA HA 2 76 VAL MG1 4.500 . 5.000 4.203 3.912 4.698 . 0 0 "[ . 1 . 2]" 1 233 1 81 LEU H 2 75 VAL MG1 5.200 . 5.700 5.525 4.957 5.701 0.001 19 0 "[ . 1 . 2]" 1 234 1 82 THR H 2 75 VAL MG1 4.500 . 5.000 4.822 4.307 4.988 . 0 0 "[ . 1 . 2]" 1 235 1 83 VAL MG1 2 71 PHE HB3 3.800 . 4.300 4.305 4.256 4.328 0.028 14 0 "[ . 1 . 2]" 1 236 1 83 VAL MG2 2 71 PHE HB3 4.500 . 5.000 4.376 4.185 4.605 . 0 0 "[ . 1 . 2]" 1 237 1 1 GLY QA 1 5 GLU QB 4.500 . 5.000 3.776 2.906 5.023 0.023 7 0 "[ . 1 . 2]" 1 238 2 1 GLY QA 2 5 GLU QB 4.500 . 5.000 3.775 2.906 5.022 0.022 7 0 "[ . 1 . 2]" 1 239 1 2 SER QB 1 3 GLU H 3.800 . 4.300 2.914 2.482 3.663 . 0 0 "[ . 1 . 2]" 1 240 2 2 SER QB 2 3 GLU H 3.800 . 4.300 2.914 2.482 3.664 . 0 0 "[ . 1 . 2]" 1 241 1 2 SER QB 1 4 LEU H 4.500 . 5.000 3.131 2.618 4.783 . 0 0 "[ . 1 . 2]" 1 242 2 2 SER QB 2 4 LEU H 4.500 . 5.000 3.130 2.619 4.783 . 0 0 "[ . 1 . 2]" 1 243 1 2 SER QB 1 5 GLU H 4.500 . 5.000 2.876 2.307 4.708 . 0 0 "[ . 1 . 2]" 1 244 2 2 SER QB 2 5 GLU H 4.500 . 5.000 2.876 2.307 4.709 . 0 0 "[ . 1 . 2]" 1 245 1 3 GLU HA 1 6 THR HB 3.800 . 4.300 2.660 2.525 2.865 . 0 0 "[ . 1 . 2]" 1 246 2 3 GLU HA 2 6 THR HB 3.800 . 4.300 2.660 2.525 2.866 . 0 0 "[ . 1 . 2]" 1 247 1 3 GLU QB 1 7 ALA MB 4.500 . 5.000 4.278 3.917 4.962 . 0 0 "[ . 1 . 2]" 1 248 2 3 GLU QB 2 7 ALA MB 4.500 . 5.000 4.277 3.916 4.962 . 0 0 "[ . 1 . 2]" 1 249 1 3 GLU HA 1 7 ALA H 4.500 . 5.000 4.005 3.916 4.146 . 0 0 "[ . 1 . 2]" 1 250 2 3 GLU HA 2 7 ALA H 4.500 . 5.000 4.004 3.915 4.146 . 0 0 "[ . 1 . 2]" 1 251 1 3 GLU QB 1 7 ALA H 5.200 . 5.700 4.647 4.425 5.221 . 0 0 "[ . 1 . 2]" 1 252 2 3 GLU QB 2 7 ALA H 5.200 . 5.700 4.647 4.426 5.220 . 0 0 "[ . 1 . 2]" 1 253 1 4 LEU HA 1 4 LEU QD 3.800 . 4.300 2.204 2.002 2.978 . 0 0 "[ . 1 . 2]" 1 254 2 4 LEU HA 2 4 LEU QD 3.800 . 4.300 2.204 2.001 2.978 . 0 0 "[ . 1 . 2]" 1 255 1 4 LEU HA 1 4 LEU MD1 4.500 . 5.000 2.329 2.130 3.749 . 0 0 "[ . 1 . 2]" 1 256 2 4 LEU HA 2 4 LEU MD1 4.500 . 5.000 2.329 2.130 3.749 . 0 0 "[ . 1 . 2]" 1 257 1 4 LEU HA 1 4 LEU MD2 4.500 . 5.000 3.729 2.009 3.880 . 0 0 "[ . 1 . 2]" 1 258 2 4 LEU HA 2 4 LEU MD2 4.500 . 5.000 3.729 2.009 3.879 . 0 0 "[ . 1 . 2]" 1 259 1 4 LEU QB 1 5 GLU H 4.500 . 5.000 2.497 2.431 2.608 . 0 0 "[ . 1 . 2]" 1 260 2 4 LEU QB 2 5 GLU H 4.500 . 5.000 2.497 2.430 2.608 . 0 0 "[ . 1 . 2]" 1 261 1 4 LEU QD 1 5 GLU H 5.200 . 5.700 3.827 3.280 4.059 . 0 0 "[ . 1 . 2]" 1 262 2 4 LEU QD 2 5 GLU H 5.200 . 5.700 3.827 3.280 4.059 . 0 0 "[ . 1 . 2]" 1 263 1 4 LEU H 1 5 GLU H 4.500 . 5.000 2.655 2.594 2.687 . 0 0 "[ . 1 . 2]" 1 264 2 4 LEU H 2 5 GLU H 4.500 . 5.000 2.655 2.594 2.687 . 0 0 "[ . 1 . 2]" 1 265 1 4 LEU HA 1 7 ALA MB 3.800 . 4.300 2.711 2.369 3.087 . 0 0 "[ . 1 . 2]" 1 266 2 4 LEU HA 2 7 ALA MB 3.800 . 4.300 2.711 2.370 3.086 . 0 0 "[ . 1 . 2]" 1 267 1 4 LEU QD 1 7 ALA MB 4.500 . 5.000 3.242 2.589 3.849 . 0 0 "[ . 1 . 2]" 1 268 2 4 LEU QD 2 7 ALA MB 4.500 . 5.000 3.243 2.589 3.849 . 0 0 "[ . 1 . 2]" 1 269 1 5 GLU H 1 5 GLU QG 4.500 . 5.000 3.263 2.189 3.952 . 0 0 "[ . 1 . 2]" 1 270 2 5 GLU H 2 5 GLU QG 4.500 . 5.000 3.263 2.188 3.951 . 0 0 "[ . 1 . 2]" 1 271 1 5 GLU QG 1 6 THR H 4.500 . 5.000 3.845 3.666 4.105 . 0 0 "[ . 1 . 2]" 1 272 2 5 GLU QG 2 6 THR H 4.500 . 5.000 3.844 3.666 4.104 . 0 0 "[ . 1 . 2]" 1 273 1 5 GLU H 1 6 THR H 4.500 . 5.000 2.617 2.569 2.659 . 0 0 "[ . 1 . 2]" 1 274 2 5 GLU H 2 6 THR H 4.500 . 5.000 2.617 2.570 2.658 . 0 0 "[ . 1 . 2]" 1 275 1 6 THR H 1 6 THR HB 3.800 . 4.300 2.592 2.567 2.613 . 0 0 "[ . 1 . 2]" 1 276 2 6 THR H 2 6 THR HB 3.800 . 4.300 2.592 2.565 2.611 . 0 0 "[ . 1 . 2]" 1 277 1 6 THR H 1 6 THR MG 4.500 . 5.000 3.749 3.744 3.754 . 0 0 "[ . 1 . 2]" 1 278 2 6 THR H 2 6 THR MG 4.500 . 5.000 3.749 3.744 3.754 . 0 0 "[ . 1 . 2]" 1 279 1 6 THR MG 1 7 ALA HA 4.500 . 5.000 3.618 3.581 3.652 . 0 0 "[ . 1 . 2]" 1 280 2 6 THR MG 2 7 ALA HA 4.500 . 5.000 3.618 3.581 3.653 . 0 0 "[ . 1 . 2]" 1 281 1 6 THR H 1 7 ALA MB 4.500 . 5.000 4.311 4.151 4.397 . 0 0 "[ . 1 . 2]" 1 282 2 6 THR H 2 7 ALA MB 4.500 . 5.000 4.311 4.151 4.398 . 0 0 "[ . 1 . 2]" 1 283 1 6 THR HB 1 7 ALA H 4.500 . 5.000 2.547 2.523 2.607 . 0 0 "[ . 1 . 2]" 1 284 2 6 THR HB 2 7 ALA H 4.500 . 5.000 2.547 2.523 2.605 . 0 0 "[ . 1 . 2]" 1 285 1 6 THR MG 1 7 ALA H 4.500 . 5.000 3.538 3.516 3.590 . 0 0 "[ . 1 . 2]" 1 286 2 6 THR MG 2 7 ALA H 4.500 . 5.000 3.538 3.515 3.589 . 0 0 "[ . 1 . 2]" 1 287 1 6 THR H 1 7 ALA H 3.800 . 4.300 2.675 2.567 2.728 . 0 0 "[ . 1 . 2]" 1 288 2 6 THR H 2 7 ALA H 3.800 . 4.300 2.675 2.567 2.730 . 0 0 "[ . 1 . 2]" 1 289 1 6 THR HA 1 9 GLU QB 3.800 . 4.300 3.297 3.000 3.523 . 0 0 "[ . 1 . 2]" 1 290 2 6 THR HA 2 9 GLU QB 3.800 . 4.300 3.297 3.000 3.524 . 0 0 "[ . 1 . 2]" 1 291 1 6 THR MG 1 9 GLU QB 3.800 . 4.300 3.957 3.681 4.080 . 0 0 "[ . 1 . 2]" 1 292 2 6 THR MG 2 9 GLU QB 3.800 . 4.300 3.957 3.680 4.080 . 0 0 "[ . 1 . 2]" 1 293 1 6 THR HA 1 9 GLU QG 4.500 . 5.000 3.537 3.154 3.683 . 0 0 "[ . 1 . 2]" 1 294 2 6 THR HA 2 9 GLU QG 4.500 . 5.000 3.537 3.153 3.682 . 0 0 "[ . 1 . 2]" 1 295 1 6 THR MG 1 9 GLU QG 4.500 . 5.000 4.867 4.323 5.013 0.013 13 0 "[ . 1 . 2]" 1 296 2 6 THR MG 2 9 GLU QG 4.500 . 5.000 4.867 4.322 5.013 0.013 13 0 "[ . 1 . 2]" 1 297 1 6 THR HA 1 9 GLU H 4.500 . 5.000 3.790 3.696 3.872 . 0 0 "[ . 1 . 2]" 1 298 2 6 THR HA 2 9 GLU H 4.500 . 5.000 3.790 3.696 3.872 . 0 0 "[ . 1 . 2]" 1 299 1 6 THR MG 1 9 GLU H 4.500 . 5.000 4.902 4.788 5.004 0.004 14 0 "[ . 1 . 2]" 1 300 2 6 THR MG 2 9 GLU H 4.500 . 5.000 4.902 4.788 5.004 0.004 14 0 "[ . 1 . 2]" 1 301 1 6 THR MG 1 10 THR H 4.500 . 5.000 4.780 4.451 4.979 . 0 0 "[ . 1 . 2]" 1 302 2 6 THR MG 2 10 THR H 4.500 . 5.000 4.780 4.451 4.980 . 0 0 "[ . 1 . 2]" 1 303 1 7 ALA MB 1 8 MET HB3 4.500 . 5.000 4.671 4.200 4.864 . 0 0 "[ . 1 . 2]" 1 304 2 7 ALA MB 2 8 MET HB3 4.500 . 5.000 4.671 4.200 4.863 . 0 0 "[ . 1 . 2]" 1 305 1 7 ALA H 1 8 MET HB3 5.200 . 5.700 4.975 4.776 5.586 . 0 0 "[ . 1 . 2]" 1 306 2 7 ALA H 2 8 MET HB3 5.200 . 5.700 4.975 4.776 5.588 . 0 0 "[ . 1 . 2]" 1 307 1 7 ALA MB 1 8 MET H 3.800 . 4.300 2.587 2.485 2.710 . 0 0 "[ . 1 . 2]" 1 308 2 7 ALA MB 2 8 MET H 3.800 . 4.300 2.588 2.487 2.710 . 0 0 "[ . 1 . 2]" 1 309 1 8 MET H 1 8 MET HB3 3.800 . 4.300 2.609 2.467 2.872 . 0 0 "[ . 1 . 2]" 1 310 2 8 MET H 2 8 MET HB3 3.800 . 4.300 2.609 2.467 2.876 . 0 0 "[ . 1 . 2]" 1 311 1 8 MET HB3 1 8 MET ME 3.800 . 4.300 2.449 2.086 2.832 . 0 0 "[ . 1 . 2]" 1 312 2 8 MET HB3 2 8 MET ME 3.800 . 4.300 2.449 2.086 2.833 . 0 0 "[ . 1 . 2]" 1 313 1 8 MET HB2 1 8 MET ME 3.800 . 4.300 2.676 2.074 3.222 . 0 0 "[ . 1 . 2]" 1 314 2 8 MET HB2 2 8 MET ME 3.800 . 4.300 2.677 2.074 3.222 . 0 0 "[ . 1 . 2]" 1 315 1 8 MET ME 1 8 MET HG3 3.800 . 4.300 2.877 2.299 3.370 . 0 0 "[ . 1 . 2]" 1 316 2 8 MET ME 2 8 MET HG3 3.800 . 4.300 2.877 2.299 3.370 . 0 0 "[ . 1 . 2]" 1 317 1 8 MET ME 1 8 MET HG2 3.800 . 4.300 2.739 2.213 3.359 . 0 0 "[ . 1 . 2]" 1 318 2 8 MET ME 2 8 MET HG2 3.800 . 4.300 2.739 2.213 3.358 . 0 0 "[ . 1 . 2]" 1 319 1 8 MET H 1 8 MET ME 3.800 . 4.300 3.930 3.082 4.293 . 0 0 "[ . 1 . 2]" 1 320 2 8 MET H 2 8 MET ME 3.800 . 4.300 3.931 3.083 4.293 . 0 0 "[ . 1 . 2]" 1 321 1 8 MET H 1 8 MET QG 4.500 . 5.000 3.602 1.767 3.948 0.033 9 0 "[ . 1 . 2]" 1 322 2 8 MET H 2 8 MET QG 4.500 . 5.000 3.602 1.767 3.948 0.033 9 0 "[ . 1 . 2]" 1 323 1 8 MET ME 1 9 GLU QG 4.500 . 5.000 4.214 2.930 5.012 0.012 4 0 "[ . 1 . 2]" 1 324 2 8 MET ME 2 9 GLU QG 4.500 . 5.000 4.213 2.931 5.013 0.013 3 0 "[ . 1 . 2]" 1 325 1 8 MET QG 1 9 GLU QG 4.500 . 5.000 3.850 2.233 4.258 . 0 0 "[ . 1 . 2]" 1 326 2 8 MET QG 2 9 GLU QG 4.500 . 5.000 3.850 2.233 4.258 . 0 0 "[ . 1 . 2]" 1 327 1 8 MET QG 1 9 GLU H 4.500 . 5.000 3.392 1.891 3.717 . 0 0 "[ . 1 . 2]" 1 328 2 8 MET QG 2 9 GLU H 4.500 . 5.000 3.392 1.891 3.717 . 0 0 "[ . 1 . 2]" 1 329 1 8 MET HG3 1 9 GLU H 4.500 . 5.000 4.361 1.932 4.823 . 0 0 "[ . 1 . 2]" 1 330 2 8 MET HG3 2 9 GLU H 4.500 . 5.000 4.361 1.933 4.822 . 0 0 "[ . 1 . 2]" 1 331 1 8 MET HG2 1 9 GLU H 4.500 . 5.000 3.629 2.686 3.865 . 0 0 "[ . 1 . 2]" 1 332 2 8 MET HG2 2 9 GLU H 4.500 . 5.000 3.629 2.686 3.865 . 0 0 "[ . 1 . 2]" 1 333 1 8 MET HA 1 11 LEU HG 4.500 . 5.000 2.754 2.415 3.014 . 0 0 "[ . 1 . 2]" 1 334 2 8 MET HA 2 11 LEU HG 4.500 . 5.000 2.755 2.416 3.014 . 0 0 "[ . 1 . 2]" 1 335 1 9 GLU H 1 9 GLU HG3 4.500 . 5.000 2.313 2.110 3.636 . 0 0 "[ . 1 . 2]" 1 336 2 9 GLU H 2 9 GLU HG3 4.500 . 5.000 2.313 2.108 3.635 . 0 0 "[ . 1 . 2]" 1 337 1 9 GLU H 1 9 GLU HG2 4.500 . 5.000 3.236 2.184 3.419 . 0 0 "[ . 1 . 2]" 1 338 2 9 GLU H 2 9 GLU HG2 4.500 . 5.000 3.236 2.184 3.419 . 0 0 "[ . 1 . 2]" 1 339 1 9 GLU HA 1 10 THR HA 5.200 . 5.700 4.816 4.773 4.843 . 0 0 "[ . 1 . 2]" 1 340 2 9 GLU HA 2 10 THR HA 5.200 . 5.700 4.816 4.774 4.843 . 0 0 "[ . 1 . 2]" 1 341 1 9 GLU QB 1 10 THR H 3.800 . 4.300 2.767 2.720 2.808 . 0 0 "[ . 1 . 2]" 1 342 2 9 GLU QB 2 10 THR H 3.800 . 4.300 2.768 2.722 2.810 . 0 0 "[ . 1 . 2]" 1 343 1 9 GLU HA 1 12 ILE HB 4.500 . 5.000 3.145 2.782 3.485 . 0 0 "[ . 1 . 2]" 1 344 2 9 GLU HA 2 12 ILE HB 4.500 . 5.000 3.145 2.782 3.484 . 0 0 "[ . 1 . 2]" 1 345 1 9 GLU HA 1 12 ILE MD 3.800 . 4.300 2.588 2.234 3.012 . 0 0 "[ . 1 . 2]" 1 346 2 9 GLU HA 2 12 ILE MD 3.800 . 4.300 2.588 2.235 3.013 . 0 0 "[ . 1 . 2]" 1 347 1 9 GLU QB 1 12 ILE MD 5.200 . 5.700 3.938 3.479 4.187 . 0 0 "[ . 1 . 2]" 1 348 2 9 GLU QB 2 12 ILE MD 5.200 . 5.700 3.938 3.480 4.188 . 0 0 "[ . 1 . 2]" 1 349 1 9 GLU QG 1 12 ILE MD 4.500 . 5.000 3.334 2.962 3.885 . 0 0 "[ . 1 . 2]" 1 350 2 9 GLU QG 2 12 ILE MD 4.500 . 5.000 3.333 2.962 3.885 . 0 0 "[ . 1 . 2]" 1 351 1 9 GLU H 1 12 ILE MD 5.200 . 5.700 4.780 4.339 5.221 . 0 0 "[ . 1 . 2]" 1 352 2 9 GLU H 2 12 ILE MD 5.200 . 5.700 4.780 4.339 5.222 . 0 0 "[ . 1 . 2]" 1 353 1 9 GLU HA 1 12 ILE H 4.500 . 5.000 3.318 3.158 3.471 . 0 0 "[ . 1 . 2]" 1 354 2 9 GLU HA 2 12 ILE H 4.500 . 5.000 3.318 3.158 3.470 . 0 0 "[ . 1 . 2]" 1 355 1 10 THR H 1 10 THR HB 3.800 . 4.300 2.684 2.623 3.594 . 0 0 "[ . 1 . 2]" 1 356 2 10 THR H 2 10 THR HB 3.800 . 4.300 2.684 2.623 3.594 . 0 0 "[ . 1 . 2]" 1 357 1 10 THR H 1 10 THR MG 4.500 . 5.000 3.664 2.233 3.746 . 0 0 "[ . 1 . 2]" 1 358 2 10 THR H 2 10 THR MG 4.500 . 5.000 3.664 2.233 3.745 . 0 0 "[ . 1 . 2]" 1 359 1 10 THR HB 1 11 LEU HA 4.500 . 5.000 4.212 4.175 4.532 . 0 0 "[ . 1 . 2]" 1 360 2 10 THR HB 2 11 LEU HA 4.500 . 5.000 4.212 4.175 4.531 . 0 0 "[ . 1 . 2]" 1 361 1 10 THR HB 1 11 LEU H 4.500 . 5.000 2.832 2.713 3.913 . 0 0 "[ . 1 . 2]" 1 362 2 10 THR HB 2 11 LEU H 4.500 . 5.000 2.832 2.713 3.914 . 0 0 "[ . 1 . 2]" 1 363 1 10 THR MG 1 11 LEU H 4.500 . 5.000 3.730 3.682 3.946 . 0 0 "[ . 1 . 2]" 1 364 2 10 THR MG 2 11 LEU H 4.500 . 5.000 3.729 3.681 3.946 . 0 0 "[ . 1 . 2]" 1 365 1 10 THR H 1 11 LEU H 4.500 . 5.000 2.782 2.655 2.822 . 0 0 "[ . 1 . 2]" 1 366 2 10 THR H 2 11 LEU H 4.500 . 5.000 2.782 2.655 2.821 . 0 0 "[ . 1 . 2]" 1 367 1 10 THR HA 1 13 ASN QB 4.500 . 5.000 2.801 2.651 2.948 . 0 0 "[ . 1 . 2]" 1 368 2 10 THR HA 2 13 ASN QB 4.500 . 5.000 2.801 2.651 2.949 . 0 0 "[ . 1 . 2]" 1 369 1 10 THR MG 1 13 ASN HB3 4.500 . 5.000 4.302 3.422 5.004 0.004 11 0 "[ . 1 . 2]" 1 370 2 10 THR MG 2 13 ASN HB3 4.500 . 5.000 4.302 3.421 5.003 0.003 11 0 "[ . 1 . 2]" 1 371 1 10 THR MG 1 13 ASN HB2 4.500 . 5.000 4.030 3.308 5.003 0.003 9 0 "[ . 1 . 2]" 1 372 2 10 THR MG 2 13 ASN HB2 4.500 . 5.000 4.031 3.309 5.004 0.004 9 0 "[ . 1 . 2]" 1 373 1 10 THR HA 1 14 VAL MG1 5.200 . 5.700 3.810 3.551 4.303 . 0 0 "[ . 1 . 2]" 1 374 2 10 THR HA 2 14 VAL MG1 5.200 . 5.700 3.810 3.550 4.301 . 0 0 "[ . 1 . 2]" 1 375 1 10 THR MG 1 14 VAL MG1 3.800 . 4.300 2.592 2.169 4.253 . 0 0 "[ . 1 . 2]" 1 376 2 10 THR MG 2 14 VAL MG1 3.800 . 4.300 2.592 2.169 4.252 . 0 0 "[ . 1 . 2]" 1 377 1 11 LEU H 1 11 LEU MD1 4.500 . 5.000 3.645 3.610 3.672 . 0 0 "[ . 1 . 2]" 1 378 2 11 LEU H 2 11 LEU MD1 3.800 . 4.300 3.645 3.610 3.671 . 0 0 "[ . 1 . 2]" 1 379 1 11 LEU H 1 11 LEU MD2 4.500 . 5.000 2.925 2.845 2.998 . 0 0 "[ . 1 . 2]" 1 380 2 11 LEU H 2 11 LEU MD2 4.500 . 5.000 2.925 2.847 2.999 . 0 0 "[ . 1 . 2]" 1 381 1 11 LEU H 1 11 LEU HG 3.800 . 4.300 2.051 1.987 2.107 . 0 0 "[ . 1 . 2]" 1 382 2 11 LEU H 2 11 LEU HG 3.800 . 4.300 2.051 1.989 2.107 . 0 0 "[ . 1 . 2]" 1 383 1 11 LEU HG 1 12 ILE HG13 4.500 . 5.000 5.013 5.003 5.019 0.019 3 0 "[ . 1 . 2]" 1 384 2 11 LEU HG 2 12 ILE HG13 4.500 . 5.000 5.013 5.004 5.019 0.019 17 0 "[ . 1 . 2]" 1 385 1 11 LEU HB2 1 12 ILE MG 5.200 . 5.700 5.306 5.289 5.334 . 0 0 "[ . 1 . 2]" 1 386 2 11 LEU HB2 2 12 ILE MG 5.200 . 5.700 5.306 5.289 5.335 . 0 0 "[ . 1 . 2]" 1 387 1 11 LEU HB3 1 12 ILE H 4.500 . 5.000 3.675 3.652 3.728 . 0 0 "[ . 1 . 2]" 1 388 2 11 LEU HB3 2 12 ILE H 4.500 . 5.000 3.675 3.651 3.729 . 0 0 "[ . 1 . 2]" 1 389 1 11 LEU HB2 1 12 ILE H 4.500 . 5.000 2.533 2.496 2.566 . 0 0 "[ . 1 . 2]" 1 390 2 11 LEU HB2 2 12 ILE H 4.500 . 5.000 2.534 2.497 2.567 . 0 0 "[ . 1 . 2]" 1 391 1 11 LEU H 1 12 ILE H 4.500 . 5.000 2.669 2.608 2.749 . 0 0 "[ . 1 . 2]" 1 392 2 11 LEU H 2 12 ILE H 4.500 . 5.000 2.670 2.608 2.747 . 0 0 "[ . 1 . 2]" 1 393 1 11 LEU HB3 1 15 PHE HB2 4.500 . 5.000 4.369 4.274 4.521 . 0 0 "[ . 1 . 2]" 1 394 2 11 LEU HB3 2 15 PHE HB2 4.500 . 5.000 4.369 4.274 4.523 . 0 0 "[ . 1 . 2]" 1 395 1 11 LEU HB2 1 15 PHE HB2 5.200 . 5.700 5.349 5.199 5.435 . 0 0 "[ . 1 . 2]" 1 396 2 11 LEU HB2 2 15 PHE HB2 5.200 . 5.700 5.349 5.200 5.435 . 0 0 "[ . 1 . 2]" 1 397 1 11 LEU HB2 1 74 TYR HE2 4.500 . 5.000 4.929 4.541 5.015 0.015 12 0 "[ . 1 . 2]" 1 398 2 11 LEU HB2 2 74 TYR HE2 4.500 . 5.000 4.930 4.541 5.015 0.015 12 0 "[ . 1 . 2]" 1 399 1 11 LEU MD1 1 75 VAL HA 5.200 . 5.700 3.458 3.131 3.581 . 0 0 "[ . 1 . 2]" 1 400 2 11 LEU MD1 2 75 VAL HA 4.500 . 5.000 3.459 3.132 3.582 . 0 0 "[ . 1 . 2]" 1 401 1 11 LEU MD2 1 75 VAL HA 5.200 . 5.700 4.880 4.215 5.151 . 0 0 "[ . 1 . 2]" 1 402 2 11 LEU MD2 2 75 VAL HA 5.200 . 5.700 4.881 4.215 5.151 . 0 0 "[ . 1 . 2]" 1 403 1 11 LEU HG 1 78 VAL MG2 4.500 . 5.000 4.978 4.656 5.021 0.021 10 0 "[ . 1 . 2]" 1 404 2 11 LEU HG 2 78 VAL MG2 4.500 . 5.000 4.978 4.657 5.021 0.021 10 0 "[ . 1 . 2]" 1 405 1 12 ILE H 1 12 ILE HB 3.800 . 4.300 2.490 2.468 2.501 . 0 0 "[ . 1 . 2]" 1 406 2 12 ILE H 2 12 ILE HB 3.800 . 4.300 2.490 2.470 2.500 . 0 0 "[ . 1 . 2]" 1 407 1 12 ILE H 1 12 ILE MD 3.800 . 4.300 3.463 3.413 3.542 . 0 0 "[ . 1 . 2]" 1 408 2 12 ILE H 2 12 ILE MD 3.800 . 4.300 3.463 3.413 3.541 . 0 0 "[ . 1 . 2]" 1 409 1 12 ILE H 1 12 ILE MG 4.500 . 5.000 3.734 3.723 3.748 . 0 0 "[ . 1 . 2]" 1 410 2 12 ILE H 2 12 ILE MG 4.500 . 5.000 3.734 3.723 3.748 . 0 0 "[ . 1 . 2]" 1 411 1 12 ILE MG 1 13 ASN HA 4.500 . 5.000 3.445 3.382 3.571 . 0 0 "[ . 1 . 2]" 1 412 2 12 ILE MG 2 13 ASN HA 4.500 . 5.000 3.445 3.384 3.571 . 0 0 "[ . 1 . 2]" 1 413 1 12 ILE HB 1 13 ASN H 3.800 . 4.300 2.565 2.462 2.753 . 0 0 "[ . 1 . 2]" 1 414 2 12 ILE HB 2 13 ASN H 3.800 . 4.300 2.565 2.461 2.752 . 0 0 "[ . 1 . 2]" 1 415 1 12 ILE MG 1 13 ASN H 4.500 . 5.000 3.409 3.337 3.520 . 0 0 "[ . 1 . 2]" 1 416 2 12 ILE MG 2 13 ASN H 4.500 . 5.000 3.410 3.337 3.520 . 0 0 "[ . 1 . 2]" 1 417 1 12 ILE H 1 13 ASN H 3.800 . 4.300 2.738 2.691 2.792 . 0 0 "[ . 1 . 2]" 1 418 2 12 ILE H 2 13 ASN H 3.800 . 4.300 2.738 2.692 2.791 . 0 0 "[ . 1 . 2]" 1 419 1 12 ILE MG 1 16 HIS QB 4.500 . 5.000 3.246 2.633 4.073 . 0 0 "[ . 1 . 2]" 1 420 2 12 ILE MG 2 16 HIS QB 4.500 . 5.000 3.246 2.634 4.073 . 0 0 "[ . 1 . 2]" 1 421 1 12 ILE MG 1 16 HIS HD2 4.500 . 5.000 4.278 1.992 5.014 0.014 12 0 "[ . 1 . 2]" 1 422 2 12 ILE MG 2 16 HIS HD2 4.500 . 5.000 4.278 1.992 5.015 0.015 12 0 "[ . 1 . 2]" 1 423 1 12 ILE MD 1 71 PHE HE2 4.500 . 5.000 4.653 4.131 5.002 0.002 7 0 "[ . 1 . 2]" 1 424 2 12 ILE MD 2 71 PHE HE2 4.500 . 5.000 4.653 4.129 5.003 0.003 7 0 "[ . 1 . 2]" 1 425 1 13 ASN QB 1 14 VAL MG1 4.500 . 5.000 2.908 2.767 3.104 . 0 0 "[ . 1 . 2]" 1 426 2 13 ASN QB 2 14 VAL MG1 4.500 . 5.000 2.908 2.767 3.104 . 0 0 "[ . 1 . 2]" 1 427 1 13 ASN QB 1 14 VAL MG2 4.500 . 5.000 3.966 3.859 4.060 . 0 0 "[ . 1 . 2]" 1 428 2 13 ASN QB 2 14 VAL MG2 4.500 . 5.000 3.966 3.860 4.059 . 0 0 "[ . 1 . 2]" 1 429 1 13 ASN QB 1 14 VAL H 3.800 . 4.300 2.548 2.493 2.591 . 0 0 "[ . 1 . 2]" 1 430 2 13 ASN QB 2 14 VAL H 3.800 . 4.300 2.548 2.491 2.591 . 0 0 "[ . 1 . 2]" 1 431 1 13 ASN H 1 15 PHE H 4.500 . 5.000 4.143 4.066 4.213 . 0 0 "[ . 1 . 2]" 1 432 2 13 ASN H 2 15 PHE H 4.500 . 5.000 4.143 4.065 4.214 . 0 0 "[ . 1 . 2]" 1 433 1 14 VAL H 1 14 VAL MG1 3.800 . 4.300 2.129 1.996 2.287 . 0 0 "[ . 1 . 2]" 1 434 2 14 VAL H 2 14 VAL MG1 3.800 . 4.300 2.128 1.995 2.286 . 0 0 "[ . 1 . 2]" 1 435 1 14 VAL H 1 14 VAL MG2 4.500 . 5.000 1.984 1.917 2.084 . 0 0 "[ . 1 . 2]" 1 436 2 14 VAL H 2 14 VAL MG2 4.500 . 5.000 1.984 1.917 2.084 . 0 0 "[ . 1 . 2]" 1 437 1 14 VAL MG2 1 15 PHE HA 4.500 . 5.000 3.171 3.068 3.281 . 0 0 "[ . 1 . 2]" 1 438 2 14 VAL MG2 2 15 PHE HA 4.500 . 5.000 3.171 3.068 3.281 . 0 0 "[ . 1 . 2]" 1 439 1 14 VAL HB 1 15 PHE H 4.500 . 5.000 3.813 3.767 3.877 . 0 0 "[ . 1 . 2]" 1 440 2 14 VAL HB 2 15 PHE H 4.500 . 5.000 3.814 3.765 3.881 . 0 0 "[ . 1 . 2]" 1 441 1 14 VAL MG1 1 15 PHE H 4.500 . 5.000 3.857 3.798 3.915 . 0 0 "[ . 1 . 2]" 1 442 2 14 VAL MG1 2 15 PHE H 4.500 . 5.000 3.857 3.799 3.915 . 0 0 "[ . 1 . 2]" 1 443 1 14 VAL MG2 1 15 PHE H 4.500 . 5.000 2.039 1.990 2.091 . 0 0 "[ . 1 . 2]" 1 444 2 14 VAL MG2 2 15 PHE H 4.500 . 5.000 2.039 1.989 2.090 . 0 0 "[ . 1 . 2]" 1 445 1 14 VAL H 1 15 PHE H 4.500 . 5.000 2.540 2.511 2.573 . 0 0 "[ . 1 . 2]" 1 446 2 14 VAL H 2 15 PHE H 4.500 . 5.000 2.540 2.511 2.575 . 0 0 "[ . 1 . 2]" 1 447 1 14 VAL HA 1 17 ALA MB 3.800 . 4.300 2.646 2.463 2.822 . 0 0 "[ . 1 . 2]" 1 448 2 14 VAL HA 2 17 ALA MB 3.800 . 4.300 2.646 2.463 2.822 . 0 0 "[ . 1 . 2]" 1 449 1 14 VAL HA 1 17 ALA H 4.500 . 5.000 3.480 3.346 3.625 . 0 0 "[ . 1 . 2]" 1 450 2 14 VAL HA 2 17 ALA H 4.500 . 5.000 3.481 3.345 3.624 . 0 0 "[ . 1 . 2]" 1 451 1 14 VAL HB 1 36 LEU QD 4.500 . 5.000 3.094 2.658 3.641 . 0 0 "[ . 1 . 2]" 1 452 2 14 VAL HB 2 36 LEU QD 4.500 . 5.000 3.094 2.658 3.641 . 0 0 "[ . 1 . 2]" 1 453 1 14 VAL HB 1 36 LEU MD1 5.200 . 5.700 3.279 2.732 3.913 . 0 0 "[ . 1 . 2]" 1 454 2 14 VAL HB 2 36 LEU MD1 5.200 . 5.700 3.279 2.731 3.913 . 0 0 "[ . 1 . 2]" 1 455 1 14 VAL HB 1 36 LEU MD2 5.200 . 5.700 3.878 3.213 4.736 . 0 0 "[ . 1 . 2]" 1 456 2 14 VAL HB 2 36 LEU MD2 5.200 . 5.700 3.878 3.211 4.736 . 0 0 "[ . 1 . 2]" 1 457 1 14 VAL HB 1 40 GLU QG 4.500 . 5.000 4.211 3.335 5.011 0.011 9 0 "[ . 1 . 2]" 1 458 2 14 VAL HB 2 40 GLU QG 4.500 . 5.000 4.211 3.335 5.011 0.011 7 0 "[ . 1 . 2]" 1 459 1 14 VAL MG1 1 40 GLU QG 4.500 . 5.000 4.409 3.768 5.005 0.005 5 0 "[ . 1 . 2]" 1 460 2 14 VAL MG1 2 40 GLU QG 4.500 . 5.000 4.408 3.767 5.005 0.005 5 0 "[ . 1 . 2]" 1 461 1 14 VAL MG2 1 40 GLU QG 5.200 . 5.700 4.544 3.679 5.333 . 0 0 "[ . 1 . 2]" 1 462 2 14 VAL MG2 2 40 GLU QG 5.200 . 5.700 4.544 3.679 5.332 . 0 0 "[ . 1 . 2]" 1 463 1 15 PHE HA 1 15 PHE HD1 4.500 . 5.000 2.849 2.791 2.907 . 0 0 "[ . 1 . 2]" 1 464 2 15 PHE HA 2 15 PHE HD1 4.500 . 5.000 2.849 2.791 2.907 . 0 0 "[ . 1 . 2]" 1 465 1 15 PHE H 1 15 PHE HD2 4.500 . 5.000 4.767 4.726 4.803 . 0 0 "[ . 1 . 2]" 1 466 2 15 PHE H 2 15 PHE HD2 4.500 . 5.000 4.767 4.725 4.803 . 0 0 "[ . 1 . 2]" 1 467 1 15 PHE HB2 1 15 PHE HE1 4.500 . 5.000 4.733 4.727 4.750 . 0 0 "[ . 1 . 2]" 1 468 2 15 PHE HB2 2 15 PHE HE1 4.500 . 5.000 4.732 4.727 4.750 . 0 0 "[ . 1 . 2]" 1 469 1 15 PHE HB3 1 16 HIS H 4.500 . 5.000 2.364 2.279 2.440 . 0 0 "[ . 1 . 2]" 1 470 2 15 PHE HB3 2 16 HIS H 4.500 . 5.000 2.364 2.279 2.442 . 0 0 "[ . 1 . 2]" 1 471 1 15 PHE HD2 1 16 HIS H 4.500 . 5.000 3.301 3.157 3.446 . 0 0 "[ . 1 . 2]" 1 472 2 15 PHE HD2 2 16 HIS H 4.500 . 5.000 3.302 3.157 3.446 . 0 0 "[ . 1 . 2]" 1 473 1 15 PHE H 1 16 HIS H 4.500 . 5.000 2.713 2.665 2.812 . 0 0 "[ . 1 . 2]" 1 474 2 15 PHE H 2 16 HIS H 4.500 . 5.000 2.712 2.666 2.811 . 0 0 "[ . 1 . 2]" 1 475 1 15 PHE HZ 1 27 LYS HA 4.500 . 5.000 4.608 4.173 4.910 . 0 0 "[ . 1 . 2]" 1 476 2 15 PHE HZ 2 27 LYS HA 4.500 . 5.000 4.608 4.172 4.912 . 0 0 "[ . 1 . 2]" 1 477 1 15 PHE HZ 1 28 LEU HA 5.200 . 5.700 4.961 4.585 5.242 . 0 0 "[ . 1 . 2]" 1 478 2 15 PHE HZ 2 28 LEU HA 5.200 . 5.700 4.962 4.586 5.242 . 0 0 "[ . 1 . 2]" 1 479 1 15 PHE HD1 1 28 LEU HB2 4.500 . 5.000 4.963 4.726 5.007 0.007 19 0 "[ . 1 . 2]" 1 480 2 15 PHE HD1 2 28 LEU HB2 4.500 . 5.000 4.963 4.726 5.007 0.007 14 0 "[ . 1 . 2]" 1 481 1 15 PHE HE1 1 28 LEU HB2 4.500 . 5.000 3.292 2.895 3.692 . 0 0 "[ . 1 . 2]" 1 482 2 15 PHE HE1 2 28 LEU HB2 4.500 . 5.000 3.292 2.894 3.690 . 0 0 "[ . 1 . 2]" 1 483 1 15 PHE HZ 1 28 LEU HB2 4.500 . 5.000 2.647 2.267 3.045 . 0 0 "[ . 1 . 2]" 1 484 2 15 PHE HZ 2 28 LEU HB2 4.500 . 5.000 2.647 2.267 3.044 . 0 0 "[ . 1 . 2]" 1 485 1 15 PHE HB2 1 28 LEU QD 5.200 . 5.700 4.817 4.370 5.139 . 0 0 "[ . 1 . 2]" 1 486 2 15 PHE HB2 2 28 LEU QD 5.200 . 5.700 4.817 4.371 5.138 . 0 0 "[ . 1 . 2]" 1 487 1 15 PHE HD1 1 28 LEU QD 3.800 . 4.300 3.087 2.828 3.416 . 0 0 "[ . 1 . 2]" 1 488 2 15 PHE HD1 2 28 LEU QD 3.800 . 4.300 3.087 2.827 3.416 . 0 0 "[ . 1 . 2]" 1 489 1 15 PHE HE1 1 28 LEU QD 4.500 . 5.000 2.188 2.016 2.720 . 0 0 "[ . 1 . 2]" 1 490 2 15 PHE HE1 2 28 LEU QD 4.500 . 5.000 2.188 2.016 2.720 . 0 0 "[ . 1 . 2]" 1 491 1 15 PHE HA 1 36 LEU QD 4.500 . 5.000 3.124 2.559 3.693 . 0 0 "[ . 1 . 2]" 1 492 2 15 PHE HA 2 36 LEU QD 4.500 . 5.000 3.124 2.558 3.694 . 0 0 "[ . 1 . 2]" 1 493 1 15 PHE H 1 36 LEU QD 5.200 . 5.700 4.469 4.114 5.059 . 0 0 "[ . 1 . 2]" 1 494 2 15 PHE H 2 36 LEU QD 5.200 . 5.700 4.469 4.114 5.059 . 0 0 "[ . 1 . 2]" 1 495 1 15 PHE HE1 1 69 VAL QG 4.500 . 5.000 3.605 3.206 4.169 . 0 0 "[ . 1 . 2]" 1 496 2 15 PHE HE1 2 69 VAL QG 4.500 . 5.000 3.605 3.205 4.169 . 0 0 "[ . 1 . 2]" 1 497 1 15 PHE HD1 1 71 PHE HA 5.200 . 5.700 4.575 4.062 5.245 . 0 0 "[ . 1 . 2]" 1 498 2 15 PHE HD1 2 71 PHE HA 5.200 . 5.700 4.575 4.064 5.243 . 0 0 "[ . 1 . 2]" 1 499 1 15 PHE HE1 1 71 PHE HA 4.500 . 5.000 3.499 2.962 4.241 . 0 0 "[ . 1 . 2]" 1 500 2 15 PHE HE1 2 71 PHE HA 4.500 . 5.000 3.500 2.965 4.243 . 0 0 "[ . 1 . 2]" 1 501 1 15 PHE HB2 1 71 PHE HE1 4.500 . 5.000 2.923 2.465 3.586 . 0 0 "[ . 1 . 2]" 1 502 2 15 PHE HB2 2 71 PHE HE1 4.500 . 5.000 2.926 2.477 3.587 . 0 0 "[ . 1 . 2]" 1 503 1 15 PHE HE1 1 74 TYR HB2 4.500 . 5.000 2.680 2.273 3.288 . 0 0 "[ . 1 . 2]" 1 504 2 15 PHE HE1 2 74 TYR HB2 4.500 . 5.000 2.680 2.273 3.287 . 0 0 "[ . 1 . 2]" 1 505 1 15 PHE HB2 1 74 TYR HE2 4.500 . 5.000 3.646 3.160 4.018 . 0 0 "[ . 1 . 2]" 1 506 2 15 PHE HB2 2 74 TYR HE2 4.500 . 5.000 3.645 3.159 4.019 . 0 0 "[ . 1 . 2]" 1 507 1 16 HIS HA 1 17 ALA HA 5.200 . 5.700 4.746 4.725 4.772 . 0 0 "[ . 1 . 2]" 1 508 2 16 HIS HA 2 17 ALA HA 5.200 . 5.700 4.746 4.726 4.772 . 0 0 "[ . 1 . 2]" 1 509 1 16 HIS QB 1 17 ALA MB 4.500 . 5.000 3.765 3.681 3.872 . 0 0 "[ . 1 . 2]" 1 510 2 16 HIS QB 2 17 ALA MB 4.500 . 5.000 3.765 3.681 3.873 . 0 0 "[ . 1 . 2]" 1 511 1 16 HIS QB 1 17 ALA H 4.500 . 5.000 2.462 2.363 2.611 . 0 0 "[ . 1 . 2]" 1 512 2 16 HIS QB 2 17 ALA H 4.500 . 5.000 2.462 2.363 2.610 . 0 0 "[ . 1 . 2]" 1 513 1 16 HIS H 1 17 ALA H 4.500 . 5.000 2.783 2.750 2.810 . 0 0 "[ . 1 . 2]" 1 514 2 16 HIS H 2 17 ALA H 4.500 . 5.000 2.783 2.750 2.810 . 0 0 "[ . 1 . 2]" 1 515 1 16 HIS HA 1 19 SER QB 4.500 . 5.000 3.187 2.722 4.135 . 0 0 "[ . 1 . 2]" 1 516 2 16 HIS HA 2 19 SER QB 4.500 . 5.000 3.187 2.723 4.135 . 0 0 "[ . 1 . 2]" 1 517 1 16 HIS HA 1 19 SER H 4.500 . 5.000 3.905 3.695 4.067 . 0 0 "[ . 1 . 2]" 1 518 2 16 HIS HA 2 19 SER H 4.500 . 5.000 3.905 3.696 4.069 . 0 0 "[ . 1 . 2]" 1 519 1 17 ALA MB 1 18 HIS HA 4.500 . 5.000 3.755 3.711 3.773 . 0 0 "[ . 1 . 2]" 1 520 2 17 ALA MB 2 18 HIS HA 4.500 . 5.000 3.756 3.712 3.773 . 0 0 "[ . 1 . 2]" 1 521 1 17 ALA MB 1 18 HIS HB2 4.500 . 5.000 4.326 3.895 4.559 . 0 0 "[ . 1 . 2]" 1 522 2 17 ALA MB 2 18 HIS HB2 4.500 . 5.000 4.326 3.895 4.561 . 0 0 "[ . 1 . 2]" 1 523 1 17 ALA MB 1 18 HIS H 4.500 . 5.000 2.388 2.271 2.516 . 0 0 "[ . 1 . 2]" 1 524 2 17 ALA MB 2 18 HIS H 4.500 . 5.000 2.388 2.271 2.516 . 0 0 "[ . 1 . 2]" 1 525 1 17 ALA H 1 18 HIS H 3.800 . 4.300 2.788 2.711 2.837 . 0 0 "[ . 1 . 2]" 1 526 2 17 ALA H 2 18 HIS H 3.800 . 4.300 2.788 2.711 2.837 . 0 0 "[ . 1 . 2]" 1 527 1 17 ALA H 1 19 SER H 4.500 . 5.000 4.253 4.189 4.342 . 0 0 "[ . 1 . 2]" 1 528 2 17 ALA H 2 19 SER H 4.500 . 5.000 4.253 4.189 4.342 . 0 0 "[ . 1 . 2]" 1 529 2 17 ALA MB 2 21 LYS QB 4.500 . 5.000 4.382 4.243 4.512 . 0 0 "[ . 1 . 2]" 1 530 1 17 ALA MB 1 21 LYS HB3 5.200 . 5.700 5.551 5.207 5.709 0.009 9 0 "[ . 1 . 2]" 1 531 1 17 ALA MB 1 21 LYS H 5.200 . 5.700 4.706 4.568 4.789 . 0 0 "[ . 1 . 2]" 1 532 2 17 ALA MB 2 21 LYS H 5.200 . 5.700 4.707 4.568 4.790 . 0 0 "[ . 1 . 2]" 1 533 1 18 HIS H 1 19 SER H 3.800 . 4.300 2.755 2.718 2.801 . 0 0 "[ . 1 . 2]" 1 534 2 18 HIS H 2 19 SER H 3.800 . 4.300 2.755 2.717 2.796 . 0 0 "[ . 1 . 2]" 1 535 1 18 HIS HA 1 21 LYS QD 4.500 . 5.000 3.863 3.597 4.209 . 0 0 "[ . 1 . 2]" 1 536 2 18 HIS HA 2 21 LYS QD 4.500 . 5.000 3.863 3.596 4.209 . 0 0 "[ . 1 . 2]" 1 537 1 18 HIS HA 1 21 LYS HD3 4.500 . 5.000 4.372 4.067 4.699 . 0 0 "[ . 1 . 2]" 1 538 2 18 HIS HA 2 21 LYS HD3 4.500 . 5.000 4.372 4.066 4.702 . 0 0 "[ . 1 . 2]" 1 539 1 18 HIS HA 1 21 LYS HD2 4.500 . 5.000 4.309 4.005 4.967 . 0 0 "[ . 1 . 2]" 1 540 2 18 HIS HA 2 21 LYS HD2 4.500 . 5.000 4.309 4.005 4.968 . 0 0 "[ . 1 . 2]" 1 541 1 18 HIS HB3 1 28 LEU QD 4.500 . 5.000 3.769 2.845 4.614 . 0 0 "[ . 1 . 2]" 1 542 2 18 HIS HB3 2 28 LEU QD 4.500 . 5.000 3.769 2.845 4.612 . 0 0 "[ . 1 . 2]" 1 543 1 18 HIS HB2 1 28 LEU QD 4.500 . 5.000 3.986 3.257 5.002 0.002 20 0 "[ . 1 . 2]" 1 544 2 18 HIS HB2 2 28 LEU QD 4.500 . 5.000 3.986 3.256 5.001 0.001 20 0 "[ . 1 . 2]" 1 545 1 18 HIS H 1 28 LEU QD 5.200 . 5.700 5.262 4.638 5.710 0.010 12 0 "[ . 1 . 2]" 1 546 2 18 HIS H 2 28 LEU QD 5.200 . 5.700 5.262 4.637 5.711 0.011 12 0 "[ . 1 . 2]" 1 547 1 18 HIS HB3 1 36 LEU QD 4.500 . 5.000 2.275 2.103 2.917 . 0 0 "[ . 1 . 2]" 1 548 2 18 HIS HB3 2 36 LEU QD 4.500 . 5.000 2.275 2.103 2.917 . 0 0 "[ . 1 . 2]" 1 549 1 18 HIS HB2 1 36 LEU QD 3.800 . 4.300 2.332 1.987 2.999 . 0 0 "[ . 1 . 2]" 1 550 2 18 HIS HB2 2 36 LEU QD 3.800 . 4.300 2.332 1.988 2.999 . 0 0 "[ . 1 . 2]" 1 551 1 18 HIS HB2 1 36 LEU MD1 4.500 . 5.000 2.547 2.002 3.494 . 0 0 "[ . 1 . 2]" 1 552 2 18 HIS HB2 2 36 LEU MD1 4.500 . 5.000 2.548 2.002 3.495 . 0 0 "[ . 1 . 2]" 1 553 1 18 HIS HB2 1 36 LEU MD2 4.500 . 5.000 3.273 2.354 5.002 0.002 7 0 "[ . 1 . 2]" 1 554 2 18 HIS HB2 2 36 LEU MD2 4.500 . 5.000 3.273 2.356 5.001 0.001 7 0 "[ . 1 . 2]" 1 555 1 19 SER H 1 20 GLY H 4.500 . 5.000 2.652 2.571 2.738 . 0 0 "[ . 1 . 2]" 1 556 2 19 SER H 2 20 GLY H 4.500 . 5.000 2.652 2.569 2.737 . 0 0 "[ . 1 . 2]" 1 557 1 19 SER HA 1 28 LEU HA 4.500 . 5.000 3.779 3.226 4.115 . 0 0 "[ . 1 . 2]" 1 558 2 19 SER HA 2 28 LEU HA 4.500 . 5.000 3.779 3.227 4.115 . 0 0 "[ . 1 . 2]" 1 559 1 19 SER QB 1 28 LEU HB2 4.500 . 5.000 3.210 2.677 4.096 . 0 0 "[ . 1 . 2]" 1 560 2 19 SER QB 2 28 LEU HB2 4.500 . 5.000 3.210 2.677 4.097 . 0 0 "[ . 1 . 2]" 1 561 1 19 SER HA 1 28 LEU QD 3.800 . 4.300 2.571 2.004 3.796 . 0 0 "[ . 1 . 2]" 1 562 2 19 SER HA 2 28 LEU QD 3.800 . 4.300 2.571 2.004 3.796 . 0 0 "[ . 1 . 2]" 1 563 1 19 SER QB 1 28 LEU QD 4.500 . 5.000 2.395 2.041 3.826 . 0 0 "[ . 1 . 2]" 1 564 2 19 SER QB 2 28 LEU QD 4.500 . 5.000 2.395 2.041 3.826 . 0 0 "[ . 1 . 2]" 1 565 1 19 SER H 1 28 LEU QD 4.500 . 5.000 3.524 3.078 4.217 . 0 0 "[ . 1 . 2]" 1 566 2 19 SER H 2 28 LEU QD 4.500 . 5.000 3.524 3.078 4.217 . 0 0 "[ . 1 . 2]" 1 567 1 20 GLY QA 1 21 LYS HA 5.200 . 5.700 4.037 4.012 4.048 . 0 0 "[ . 1 . 2]" 1 568 2 20 GLY QA 2 21 LYS HA 5.200 . 5.700 4.037 4.013 4.048 . 0 0 "[ . 1 . 2]" 1 569 1 20 GLY H 1 21 LYS H 4.500 . 5.000 2.683 2.601 2.771 . 0 0 "[ . 1 . 2]" 1 570 2 20 GLY H 2 21 LYS H 4.500 . 5.000 2.683 2.602 2.770 . 0 0 "[ . 1 . 2]" 1 571 1 20 GLY HA3 1 25 LYS HA 4.500 . 5.000 3.839 3.580 4.125 . 0 0 "[ . 1 . 2]" 1 572 2 20 GLY HA3 2 25 LYS HA 4.500 . 5.000 3.840 3.581 4.124 . 0 0 "[ . 1 . 2]" 1 573 1 20 GLY HA2 1 25 LYS HA 4.500 . 5.000 2.344 2.197 3.129 . 0 0 "[ . 1 . 2]" 1 574 2 20 GLY HA2 2 25 LYS HA 4.500 . 5.000 2.344 2.198 3.129 . 0 0 "[ . 1 . 2]" 1 575 1 20 GLY QA 1 25 LYS QB 4.500 . 5.000 2.917 2.178 3.686 . 0 0 "[ . 1 . 2]" 1 576 2 20 GLY QA 2 25 LYS QB 4.500 . 5.000 2.917 2.179 3.685 . 0 0 "[ . 1 . 2]" 1 577 1 20 GLY QA 1 25 LYS QD 4.500 . 5.000 3.175 1.963 3.738 . 0 0 "[ . 1 . 2]" 1 578 2 20 GLY QA 2 25 LYS QD 4.500 . 5.000 3.175 1.962 3.739 . 0 0 "[ . 1 . 2]" 1 579 1 20 GLY HA3 1 25 LYS HD3 5.200 . 5.700 4.323 3.330 5.276 . 0 0 "[ . 1 . 2]" 1 580 2 20 GLY HA3 2 25 LYS HD3 5.200 . 5.700 4.323 3.330 5.277 . 0 0 "[ . 1 . 2]" 1 581 1 20 GLY HA2 1 25 LYS HD3 5.200 . 5.700 3.972 2.249 4.895 . 0 0 "[ . 1 . 2]" 1 582 2 20 GLY HA2 2 25 LYS HD3 5.200 . 5.700 3.972 2.247 4.897 . 0 0 "[ . 1 . 2]" 1 583 1 20 GLY HA3 1 25 LYS HD2 5.200 . 5.700 4.542 2.815 5.715 0.015 13 0 "[ . 1 . 2]" 1 584 2 20 GLY HA3 2 25 LYS HD2 5.200 . 5.700 4.542 2.815 5.714 0.014 13 0 "[ . 1 . 2]" 1 585 1 20 GLY HA2 1 25 LYS HD2 5.200 . 5.700 4.187 2.275 5.363 . 0 0 "[ . 1 . 2]" 1 586 2 20 GLY HA2 2 25 LYS HD2 5.200 . 5.700 4.187 2.274 5.362 . 0 0 "[ . 1 . 2]" 1 587 1 20 GLY QA 1 25 LYS QE 4.500 . 5.000 3.766 2.263 5.008 0.008 12 0 "[ . 1 . 2]" 1 588 2 20 GLY QA 2 25 LYS QE 4.500 . 5.000 3.766 2.262 5.008 0.008 12 0 "[ . 1 . 2]" 1 589 1 21 LYS H 1 21 LYS HB3 3.800 . 4.300 2.595 2.580 2.623 . 0 0 "[ . 1 . 2]" 1 590 2 21 LYS H 2 21 LYS HB3 3.800 . 4.300 2.596 2.581 2.623 . 0 0 "[ . 1 . 2]" 1 591 1 21 LYS H 1 21 LYS HB2 3.800 . 4.300 2.444 2.417 2.475 . 0 0 "[ . 1 . 2]" 1 592 2 21 LYS H 2 21 LYS HB2 3.800 . 4.300 2.444 2.417 2.474 . 0 0 "[ . 1 . 2]" 1 593 1 21 LYS HA 1 21 LYS QD 4.500 . 5.000 3.971 3.966 3.975 . 0 0 "[ . 1 . 2]" 1 594 2 21 LYS HA 2 21 LYS QD 4.500 . 5.000 3.971 3.966 3.975 . 0 0 "[ . 1 . 2]" 1 595 1 21 LYS H 1 21 LYS QD 4.500 . 5.000 4.395 4.366 4.431 . 0 0 "[ . 1 . 2]" 1 596 2 21 LYS H 2 21 LYS QD 4.500 . 5.000 4.395 4.367 4.431 . 0 0 "[ . 1 . 2]" 1 597 1 21 LYS HA 1 21 LYS QG 3.800 . 4.300 2.355 2.337 2.362 . 0 0 "[ . 1 . 2]" 1 598 2 21 LYS HA 2 21 LYS QG 3.800 . 4.300 2.355 2.337 2.361 . 0 0 "[ . 1 . 2]" 1 599 1 21 LYS QE 1 22 GLU HA 5.200 . 5.700 5.707 5.680 5.716 0.016 12 0 "[ . 1 . 2]" 1 600 2 21 LYS QE 2 22 GLU HA 5.200 . 5.700 5.706 5.679 5.716 0.016 11 0 "[ . 1 . 2]" 1 601 1 21 LYS H 1 22 GLU HA 5.200 . 5.700 5.382 5.340 5.435 . 0 0 "[ . 1 . 2]" 1 602 2 21 LYS H 2 22 GLU HA 5.200 . 5.700 5.382 5.339 5.436 . 0 0 "[ . 1 . 2]" 1 603 1 21 LYS QG 1 22 GLU QB 4.500 . 5.000 4.199 4.097 4.453 . 0 0 "[ . 1 . 2]" 1 604 2 21 LYS QG 2 22 GLU QB 4.500 . 5.000 4.199 4.097 4.454 . 0 0 "[ . 1 . 2]" 1 605 1 21 LYS QE 1 22 GLU QG 4.500 . 5.000 3.524 3.322 4.047 . 0 0 "[ . 1 . 2]" 1 606 2 21 LYS QE 2 22 GLU QG 4.500 . 5.000 3.524 3.321 4.046 . 0 0 "[ . 1 . 2]" 1 607 1 21 LYS QD 1 22 GLU H 4.500 . 5.000 4.493 4.427 4.559 . 0 0 "[ . 1 . 2]" 1 608 2 21 LYS QD 2 22 GLU H 4.500 . 5.000 4.493 4.427 4.559 . 0 0 "[ . 1 . 2]" 1 609 1 21 LYS QG 1 22 GLU H 4.500 . 5.000 3.649 3.627 3.717 . 0 0 "[ . 1 . 2]" 1 610 2 21 LYS QG 2 22 GLU H 4.500 . 5.000 3.650 3.626 3.717 . 0 0 "[ . 1 . 2]" 1 611 1 21 LYS H 1 22 GLU H 3.800 . 4.300 2.833 2.745 2.892 . 0 0 "[ . 1 . 2]" 1 612 2 21 LYS H 2 22 GLU H 3.800 . 4.300 2.832 2.745 2.893 . 0 0 "[ . 1 . 2]" 1 613 1 22 GLU H 1 22 GLU QG 3.800 . 4.300 2.829 2.717 2.899 . 0 0 "[ . 1 . 2]" 1 614 2 22 GLU H 2 22 GLU QG 3.800 . 4.300 2.829 2.717 2.900 . 0 0 "[ . 1 . 2]" 1 615 1 25 LYS HA 1 25 LYS QD 4.500 . 5.000 3.668 2.139 3.979 . 0 0 "[ . 1 . 2]" 1 616 2 25 LYS HA 2 25 LYS QD 4.500 . 5.000 3.668 2.139 3.979 . 0 0 "[ . 1 . 2]" 1 617 1 25 LYS HA 1 25 LYS HD3 5.200 . 5.700 4.064 2.215 4.715 . 0 0 "[ . 1 . 2]" 1 618 2 25 LYS HA 2 25 LYS HD3 5.200 . 5.700 4.064 2.216 4.716 . 0 0 "[ . 1 . 2]" 1 619 1 25 LYS HA 1 25 LYS HD2 5.200 . 5.700 4.256 2.820 4.710 . 0 0 "[ . 1 . 2]" 1 620 2 25 LYS HA 2 25 LYS HD2 5.200 . 5.700 4.256 2.818 4.710 . 0 0 "[ . 1 . 2]" 1 621 1 25 LYS HA 1 25 LYS QE 4.500 . 5.000 4.543 4.110 4.757 . 0 0 "[ . 1 . 2]" 1 622 2 25 LYS HA 2 25 LYS QE 4.500 . 5.000 4.543 4.111 4.757 . 0 0 "[ . 1 . 2]" 1 623 1 25 LYS HA 1 25 LYS QG 3.800 . 4.300 2.448 2.317 2.984 . 0 0 "[ . 1 . 2]" 1 624 2 25 LYS HA 2 25 LYS QG 3.800 . 4.300 2.448 2.318 2.983 . 0 0 "[ . 1 . 2]" 1 625 1 25 LYS QB 1 26 TYR QD 4.500 . 5.000 3.447 2.579 3.784 . 0 0 "[ . 1 . 2]" 1 626 2 25 LYS QB 2 26 TYR QD 4.500 . 5.000 3.448 2.579 3.784 . 0 0 "[ . 1 . 2]" 1 627 1 25 LYS QG 1 26 TYR QD 4.500 . 5.000 4.719 4.504 4.917 . 0 0 "[ . 1 . 2]" 1 628 2 25 LYS QG 2 26 TYR QD 4.500 . 5.000 4.719 4.503 4.917 . 0 0 "[ . 1 . 2]" 1 629 1 25 LYS QB 1 26 TYR H 4.500 . 5.000 2.543 2.471 2.596 . 0 0 "[ . 1 . 2]" 1 630 2 25 LYS QB 2 26 TYR H 4.500 . 5.000 2.543 2.471 2.596 . 0 0 "[ . 1 . 2]" 1 631 1 26 TYR HA 1 26 TYR QD 3.800 . 4.300 2.662 2.178 2.827 . 0 0 "[ . 1 . 2]" 1 632 2 26 TYR HA 2 26 TYR QD 3.800 . 4.300 2.662 2.177 2.826 . 0 0 "[ . 1 . 2]" 1 633 1 26 TYR QB 1 27 LYS H 4.500 . 5.000 2.765 2.698 2.896 . 0 0 "[ . 1 . 2]" 1 634 2 26 TYR QB 2 27 LYS H 4.500 . 5.000 2.765 2.698 2.897 . 0 0 "[ . 1 . 2]" 1 635 1 26 TYR H 1 27 LYS H 3.800 . 4.300 2.709 2.667 2.761 . 0 0 "[ . 1 . 2]" 1 636 2 26 TYR H 2 27 LYS H 3.800 . 4.300 2.709 2.667 2.761 . 0 0 "[ . 1 . 2]" 1 637 1 27 LYS HA 1 27 LYS QD 4.500 . 5.000 3.835 2.131 4.162 . 0 0 "[ . 1 . 2]" 1 638 2 27 LYS HA 2 27 LYS QD 4.500 . 5.000 3.835 2.132 4.162 . 0 0 "[ . 1 . 2]" 1 639 1 27 LYS HA 1 27 LYS HD3 5.200 . 5.700 4.201 2.198 4.702 . 0 0 "[ . 1 . 2]" 1 640 2 27 LYS HA 2 27 LYS HD3 5.200 . 5.700 4.201 2.198 4.702 . 0 0 "[ . 1 . 2]" 1 641 1 27 LYS HA 1 27 LYS HD2 5.200 . 5.700 4.477 2.867 4.782 . 0 0 "[ . 1 . 2]" 1 642 2 27 LYS HA 2 27 LYS HD2 5.200 . 5.700 4.477 2.868 4.782 . 0 0 "[ . 1 . 2]" 1 643 1 27 LYS HA 1 27 LYS HE3 5.200 . 5.700 5.091 3.951 5.525 . 0 0 "[ . 1 . 2]" 1 644 2 27 LYS HA 2 27 LYS HE3 5.200 . 5.700 5.091 3.952 5.525 . 0 0 "[ . 1 . 2]" 1 645 1 27 LYS HA 1 27 LYS HE2 5.200 . 5.700 4.878 4.460 5.127 . 0 0 "[ . 1 . 2]" 1 646 2 27 LYS HA 2 27 LYS HE2 5.200 . 5.700 4.879 4.459 5.129 . 0 0 "[ . 1 . 2]" 1 647 1 27 LYS H 1 27 LYS QG 4.500 . 5.000 2.768 2.600 2.859 . 0 0 "[ . 1 . 2]" 1 648 2 27 LYS H 2 27 LYS QG 4.500 . 5.000 2.769 2.602 2.860 . 0 0 "[ . 1 . 2]" 1 649 1 27 LYS QB 1 68 GLU QG 4.500 . 5.000 4.738 3.887 5.014 0.014 7 0 "[ . 1 . 2]" 1 650 2 27 LYS QB 2 68 GLU QG 4.500 . 5.000 4.738 3.887 5.014 0.014 7 0 "[ . 1 . 2]" 1 651 1 27 LYS QD 1 68 GLU QG 4.500 . 5.000 4.671 3.850 5.012 0.012 9 0 "[ . 1 . 2]" 1 652 2 27 LYS QD 2 68 GLU QG 4.500 . 5.000 4.671 3.850 5.013 0.013 9 0 "[ . 1 . 2]" 1 653 1 28 LEU H 1 28 LEU HB2 3.800 . 4.300 2.859 2.706 2.925 . 0 0 "[ . 1 . 2]" 1 654 2 28 LEU H 2 28 LEU HB2 3.800 . 4.300 2.859 2.706 2.925 . 0 0 "[ . 1 . 2]" 1 655 1 28 LEU HA 1 28 LEU QD 3.800 . 4.300 2.322 2.105 3.000 . 0 0 "[ . 1 . 2]" 1 656 2 28 LEU HA 2 28 LEU QD 3.800 . 4.300 2.322 2.104 3.000 . 0 0 "[ . 1 . 2]" 1 657 1 28 LEU H 1 28 LEU QD 4.500 . 5.000 3.820 3.622 3.859 . 0 0 "[ . 1 . 2]" 1 658 2 28 LEU H 2 28 LEU QD 4.500 . 5.000 3.820 3.622 3.859 . 0 0 "[ . 1 . 2]" 1 659 1 28 LEU HA 1 28 LEU MD1 4.500 . 5.000 2.459 2.139 3.530 . 0 0 "[ . 1 . 2]" 1 660 2 28 LEU HA 2 28 LEU MD1 4.500 . 5.000 2.459 2.139 3.529 . 0 0 "[ . 1 . 2]" 1 661 1 28 LEU HA 1 28 LEU MD2 4.500 . 5.000 3.650 2.204 3.880 . 0 0 "[ . 1 . 2]" 1 662 2 28 LEU HA 2 28 LEU MD2 4.500 . 5.000 3.649 2.203 3.880 . 0 0 "[ . 1 . 2]" 1 663 1 28 LEU HB2 1 29 SER H 4.500 . 5.000 4.308 4.200 4.452 . 0 0 "[ . 1 . 2]" 1 664 2 28 LEU HB2 2 29 SER H 4.500 . 5.000 4.308 4.199 4.452 . 0 0 "[ . 1 . 2]" 1 665 1 28 LEU QD 1 29 SER H 4.500 . 5.000 2.737 2.123 3.126 . 0 0 "[ . 1 . 2]" 1 666 2 28 LEU QD 2 29 SER H 4.500 . 5.000 2.737 2.122 3.126 . 0 0 "[ . 1 . 2]" 1 667 1 28 LEU QD 1 32 GLU QB 4.500 . 5.000 2.098 1.878 2.722 . 0 0 "[ . 1 . 2]" 1 668 2 28 LEU QD 2 32 GLU QB 4.500 . 5.000 2.098 1.878 2.721 . 0 0 "[ . 1 . 2]" 1 669 1 28 LEU QD 1 33 LEU HA 3.800 . 4.300 2.714 2.224 3.093 . 0 0 "[ . 1 . 2]" 1 670 2 28 LEU QD 2 33 LEU HA 3.800 . 4.300 2.714 2.224 3.094 . 0 0 "[ . 1 . 2]" 1 671 1 28 LEU MD1 1 33 LEU HA 4.500 . 5.000 3.647 3.197 4.061 . 0 0 "[ . 1 . 2]" 1 672 2 28 LEU MD1 2 33 LEU HA 4.500 . 5.000 3.647 3.196 4.062 . 0 0 "[ . 1 . 2]" 1 673 1 28 LEU MD2 1 33 LEU HA 4.500 . 5.000 2.846 2.249 4.099 . 0 0 "[ . 1 . 2]" 1 674 2 28 LEU MD2 2 33 LEU HA 4.500 . 5.000 2.846 2.250 4.100 . 0 0 "[ . 1 . 2]" 1 675 1 28 LEU QD 1 33 LEU QB 4.500 . 5.000 2.416 1.978 2.856 . 0 0 "[ . 1 . 2]" 1 676 2 28 LEU QD 2 33 LEU QB 4.500 . 5.000 2.417 1.978 2.856 . 0 0 "[ . 1 . 2]" 1 677 1 28 LEU QD 1 33 LEU QD 4.500 . 5.000 2.150 1.861 2.768 . 0 0 "[ . 1 . 2]" 1 678 2 28 LEU QD 2 33 LEU QD 4.500 . 5.000 2.151 1.862 2.769 . 0 0 "[ . 1 . 2]" 1 679 1 28 LEU QD 1 33 LEU HG 4.500 . 5.000 4.099 2.584 4.518 . 0 0 "[ . 1 . 2]" 1 680 2 28 LEU QD 2 33 LEU HG 4.500 . 5.000 4.099 2.584 4.519 . 0 0 "[ . 1 . 2]" 1 681 1 28 LEU QD 1 33 LEU H 4.500 . 5.000 3.169 2.298 3.602 . 0 0 "[ . 1 . 2]" 1 682 2 28 LEU QD 2 33 LEU H 4.500 . 5.000 3.169 2.298 3.601 . 0 0 "[ . 1 . 2]" 1 683 1 28 LEU QD 1 34 LYS H 5.200 . 5.700 4.972 4.489 5.410 . 0 0 "[ . 1 . 2]" 1 684 2 28 LEU QD 2 34 LYS H 5.200 . 5.700 4.972 4.489 5.409 . 0 0 "[ . 1 . 2]" 1 685 1 28 LEU QD 1 36 LEU QD 4.500 . 5.000 2.793 2.360 3.189 . 0 0 "[ . 1 . 2]" 1 686 2 28 LEU QD 2 36 LEU QD 4.500 . 5.000 2.793 2.361 3.189 . 0 0 "[ . 1 . 2]" 1 687 1 28 LEU QD 1 58 MET ME 5.200 . 5.700 4.933 4.153 5.612 . 0 0 "[ . 1 . 2]" 1 688 2 28 LEU QD 2 58 MET ME 5.200 . 5.700 4.933 4.153 5.612 . 0 0 "[ . 1 . 2]" 1 689 1 28 LEU QD 1 69 VAL QG 3.800 . 4.300 2.617 1.959 3.005 . 0 0 "[ . 1 . 2]" 1 690 2 28 LEU QD 2 69 VAL QG 3.800 . 4.300 2.617 1.960 3.006 . 0 0 "[ . 1 . 2]" 1 691 1 28 LEU H 1 69 VAL H 4.500 . 5.000 4.716 4.299 5.014 0.014 4 0 "[ . 1 . 2]" 1 692 2 28 LEU H 2 69 VAL H 4.500 . 5.000 4.717 4.298 5.014 0.014 4 0 "[ . 1 . 2]" 1 693 1 28 LEU HB3 1 74 TYR HB2 4.500 . 5.000 4.992 4.802 5.021 0.021 5 0 "[ . 1 . 2]" 1 694 2 28 LEU HB3 2 74 TYR HB2 4.500 . 5.000 4.991 4.803 5.021 0.021 5 0 "[ . 1 . 2]" 1 695 1 28 LEU QD 1 74 TYR HB2 4.500 . 5.000 3.504 3.089 4.175 . 0 0 "[ . 1 . 2]" 1 696 2 28 LEU QD 2 74 TYR HB2 4.500 . 5.000 3.504 3.089 4.175 . 0 0 "[ . 1 . 2]" 1 697 1 28 LEU QD 1 74 TYR H 5.200 . 5.700 5.301 4.911 5.712 0.012 7 0 "[ . 1 . 2]" 1 698 2 28 LEU QD 2 74 TYR H 5.200 . 5.700 5.301 4.912 5.712 0.012 7 0 "[ . 1 . 2]" 1 699 1 29 SER QB 1 30 LYS H 4.500 . 5.000 2.891 2.536 3.549 . 0 0 "[ . 1 . 2]" 1 700 2 29 SER QB 2 30 LYS H 4.500 . 5.000 2.891 2.535 3.549 . 0 0 "[ . 1 . 2]" 1 701 1 29 SER HB3 1 30 LYS H 4.500 . 5.000 3.342 2.580 4.030 . 0 0 "[ . 1 . 2]" 1 702 2 29 SER HB3 2 30 LYS H 4.500 . 5.000 3.342 2.579 4.031 . 0 0 "[ . 1 . 2]" 1 703 1 29 SER HB2 1 30 LYS H 4.500 . 5.000 3.610 2.643 4.106 . 0 0 "[ . 1 . 2]" 1 704 2 29 SER HB2 2 30 LYS H 4.500 . 5.000 3.610 2.643 4.106 . 0 0 "[ . 1 . 2]" 1 705 1 29 SER QB 1 31 LYS H 4.500 . 5.000 2.962 2.678 3.364 . 0 0 "[ . 1 . 2]" 1 706 2 29 SER QB 2 31 LYS H 4.500 . 5.000 2.962 2.677 3.364 . 0 0 "[ . 1 . 2]" 1 707 1 29 SER H 1 32 GLU QB 4.500 . 5.000 2.484 2.280 2.814 . 0 0 "[ . 1 . 2]" 1 708 2 29 SER H 2 32 GLU QB 4.500 . 5.000 2.484 2.281 2.814 . 0 0 "[ . 1 . 2]" 1 709 1 29 SER H 1 32 GLU HB3 4.500 . 5.000 3.746 2.516 4.269 . 0 0 "[ . 1 . 2]" 1 710 2 29 SER H 2 32 GLU HB3 4.500 . 5.000 3.746 2.515 4.268 . 0 0 "[ . 1 . 2]" 1 711 1 29 SER H 1 32 GLU HB2 4.500 . 5.000 2.583 2.304 3.193 . 0 0 "[ . 1 . 2]" 1 712 2 29 SER H 2 32 GLU HB2 4.500 . 5.000 2.583 2.305 3.192 . 0 0 "[ . 1 . 2]" 1 713 1 29 SER H 1 32 GLU H 4.500 . 5.000 3.747 3.564 4.045 . 0 0 "[ . 1 . 2]" 1 714 2 29 SER H 2 32 GLU H 4.500 . 5.000 3.747 3.564 4.045 . 0 0 "[ . 1 . 2]" 1 715 1 29 SER HA 1 68 GLU QG 3.800 . 4.300 4.046 3.207 4.306 0.006 6 0 "[ . 1 . 2]" 1 716 2 29 SER HA 2 68 GLU QG 3.800 . 4.300 4.047 3.207 4.306 0.006 6 0 "[ . 1 . 2]" 1 717 1 30 LYS H 1 30 LYS HB3 3.800 . 4.300 2.670 2.472 2.795 . 0 0 "[ . 1 . 2]" 1 718 2 30 LYS H 2 30 LYS HB3 3.800 . 4.300 2.671 2.471 2.795 . 0 0 "[ . 1 . 2]" 1 719 1 30 LYS H 1 30 LYS HB2 3.800 . 4.300 2.517 2.446 2.566 . 0 0 "[ . 1 . 2]" 1 720 2 30 LYS H 2 30 LYS HB2 3.800 . 4.300 2.517 2.446 2.566 . 0 0 "[ . 1 . 2]" 1 721 1 30 LYS HA 1 30 LYS QD 4.500 . 5.000 3.422 2.147 4.097 . 0 0 "[ . 1 . 2]" 1 722 2 30 LYS HA 2 30 LYS QD 4.500 . 5.000 3.422 2.148 4.097 . 0 0 "[ . 1 . 2]" 1 723 1 30 LYS HA 1 30 LYS HD3 4.500 . 5.000 4.111 2.910 4.721 . 0 0 "[ . 1 . 2]" 1 724 2 30 LYS HA 2 30 LYS HD3 4.500 . 5.000 4.111 2.910 4.721 . 0 0 "[ . 1 . 2]" 1 725 1 30 LYS HA 1 30 LYS HD2 4.500 . 5.000 3.697 2.194 4.495 . 0 0 "[ . 1 . 2]" 1 726 2 30 LYS HA 2 30 LYS HD2 4.500 . 5.000 3.697 2.195 4.496 . 0 0 "[ . 1 . 2]" 1 727 1 30 LYS H 1 30 LYS QG 4.500 . 5.000 3.986 3.935 4.045 . 0 0 "[ . 1 . 2]" 1 728 2 30 LYS H 2 30 LYS QG 4.500 . 5.000 3.986 3.934 4.046 . 0 0 "[ . 1 . 2]" 1 729 1 30 LYS H 1 30 LYS HG3 5.200 . 5.700 4.415 4.346 4.451 . 0 0 "[ . 1 . 2]" 1 730 2 30 LYS H 2 30 LYS HG3 5.200 . 5.700 4.415 4.345 4.451 . 0 0 "[ . 1 . 2]" 1 731 1 30 LYS H 1 30 LYS HG2 5.200 . 5.700 4.540 4.467 4.647 . 0 0 "[ . 1 . 2]" 1 732 2 30 LYS H 2 30 LYS HG2 5.200 . 5.700 4.540 4.469 4.648 . 0 0 "[ . 1 . 2]" 1 733 1 30 LYS QD 1 31 LYS HA 4.500 . 5.000 4.798 4.453 5.026 0.026 15 0 "[ . 1 . 2]" 1 734 2 30 LYS QD 2 31 LYS HA 4.500 . 5.000 4.798 4.453 5.027 0.027 15 0 "[ . 1 . 2]" 1 735 1 30 LYS QB 1 31 LYS H 3.800 . 4.300 2.646 2.519 2.712 . 0 0 "[ . 1 . 2]" 1 736 2 30 LYS QB 2 31 LYS H 3.800 . 4.300 2.646 2.520 2.712 . 0 0 "[ . 1 . 2]" 1 737 1 30 LYS QG 1 31 LYS H 4.500 . 5.000 3.722 3.450 3.867 . 0 0 "[ . 1 . 2]" 1 738 2 30 LYS QG 2 31 LYS H 4.500 . 5.000 3.722 3.452 3.867 . 0 0 "[ . 1 . 2]" 1 739 1 30 LYS H 1 31 LYS H 4.500 . 5.000 2.790 2.688 2.879 . 0 0 "[ . 1 . 2]" 1 740 2 30 LYS H 2 31 LYS H 4.500 . 5.000 2.790 2.688 2.879 . 0 0 "[ . 1 . 2]" 1 741 1 30 LYS HA 1 33 LEU QB 4.500 . 5.000 2.180 2.034 2.413 . 0 0 "[ . 1 . 2]" 1 742 2 30 LYS HA 2 33 LEU QB 4.500 . 5.000 2.180 2.035 2.413 . 0 0 "[ . 1 . 2]" 1 743 1 30 LYS HA 1 33 LEU QD 4.500 . 5.000 3.083 2.852 3.262 . 0 0 "[ . 1 . 2]" 1 744 2 30 LYS HA 2 33 LEU QD 4.500 . 5.000 3.083 2.853 3.259 . 0 0 "[ . 1 . 2]" 1 745 1 30 LYS QG 1 33 LEU QD 5.200 . 5.700 3.026 2.210 4.226 . 0 0 "[ . 1 . 2]" 1 746 2 30 LYS QG 2 33 LEU QD 5.200 . 5.700 3.026 2.209 4.227 . 0 0 "[ . 1 . 2]" 1 747 1 30 LYS HA 1 33 LEU H 4.500 . 5.000 2.939 2.762 3.217 . 0 0 "[ . 1 . 2]" 1 748 2 30 LYS HA 2 33 LEU H 4.500 . 5.000 2.939 2.762 3.217 . 0 0 "[ . 1 . 2]" 1 749 1 30 LYS QD 1 34 LYS H 4.500 . 5.000 4.722 3.782 5.069 0.069 2 0 "[ . 1 . 2]" 1 750 2 30 LYS QD 2 34 LYS H 4.500 . 5.000 4.722 3.782 5.068 0.068 2 0 "[ . 1 . 2]" 1 751 1 30 LYS QD 1 54 VAL QG 4.500 . 5.000 3.845 3.208 4.736 . 0 0 "[ . 1 . 2]" 1 752 2 30 LYS QD 2 54 VAL QG 4.500 . 5.000 3.845 3.209 4.735 . 0 0 "[ . 1 . 2]" 1 753 1 30 LYS QE 1 54 VAL QG 3.800 . 4.300 2.475 1.931 4.304 0.004 1 0 "[ . 1 . 2]" 1 754 2 30 LYS QE 2 54 VAL QG 3.800 . 4.300 2.475 1.931 4.304 0.004 1 0 "[ . 1 . 2]" 1 755 1 30 LYS QG 1 54 VAL QG 4.500 . 5.000 3.768 3.307 4.868 . 0 0 "[ . 1 . 2]" 1 756 2 30 LYS QG 2 54 VAL QG 4.500 . 5.000 3.768 3.307 4.867 . 0 0 "[ . 1 . 2]" 1 757 1 30 LYS HE3 1 54 VAL MG1 5.200 . 5.700 3.171 2.224 5.529 . 0 0 "[ . 1 . 2]" 1 758 2 30 LYS HE3 2 54 VAL MG1 5.200 . 5.700 3.171 2.222 5.530 . 0 0 "[ . 1 . 2]" 1 759 1 30 LYS HE2 1 54 VAL MG1 5.200 . 5.700 3.073 2.210 5.076 . 0 0 "[ . 1 . 2]" 1 760 2 30 LYS HE2 2 54 VAL MG1 5.200 . 5.700 3.073 2.211 5.077 . 0 0 "[ . 1 . 2]" 1 761 1 30 LYS HE3 1 54 VAL MG2 5.200 . 5.700 3.925 2.345 5.649 . 0 0 "[ . 1 . 2]" 1 762 2 30 LYS HE3 2 54 VAL MG2 5.200 . 5.700 3.926 2.346 5.648 . 0 0 "[ . 1 . 2]" 1 763 1 30 LYS HE2 1 54 VAL MG2 5.200 . 5.700 3.576 2.127 5.681 . 0 0 "[ . 1 . 2]" 1 764 2 30 LYS HE2 2 54 VAL MG2 5.200 . 5.700 3.577 2.127 5.681 . 0 0 "[ . 1 . 2]" 1 765 1 30 LYS HD3 1 55 ASP HA 5.200 . 5.700 4.785 3.082 5.624 . 0 0 "[ . 1 . 2]" 1 766 2 30 LYS HD3 2 55 ASP HA 5.200 . 5.700 4.785 3.082 5.623 . 0 0 "[ . 1 . 2]" 1 767 1 30 LYS HD2 1 55 ASP HA 5.200 . 5.700 4.782 4.011 5.719 0.019 15 0 "[ . 1 . 2]" 1 768 2 30 LYS HD2 2 55 ASP HA 5.200 . 5.700 4.782 4.011 5.718 0.018 15 0 "[ . 1 . 2]" 1 769 1 30 LYS QE 1 55 ASP HA 4.500 . 5.000 2.643 2.146 3.739 . 0 0 "[ . 1 . 2]" 1 770 2 30 LYS QE 2 55 ASP HA 4.500 . 5.000 2.643 2.145 3.738 . 0 0 "[ . 1 . 2]" 1 771 1 30 LYS HE3 1 55 ASP HA 4.500 . 5.000 2.916 2.273 4.204 . 0 0 "[ . 1 . 2]" 1 772 2 30 LYS HE3 2 55 ASP HA 4.500 . 5.000 2.916 2.273 4.204 . 0 0 "[ . 1 . 2]" 1 773 1 30 LYS HE2 1 55 ASP HA 4.500 . 5.000 3.486 2.241 4.336 . 0 0 "[ . 1 . 2]" 1 774 2 30 LYS HE2 2 55 ASP HA 4.500 . 5.000 3.487 2.240 4.337 . 0 0 "[ . 1 . 2]" 1 775 1 30 LYS HA 1 58 MET ME 3.800 . 4.300 3.627 3.137 4.309 0.009 18 0 "[ . 1 . 2]" 1 776 2 30 LYS HA 2 58 MET ME 3.800 . 4.300 3.627 3.137 4.308 0.008 18 0 "[ . 1 . 2]" 1 777 1 30 LYS QB 1 58 MET ME 4.500 . 5.000 2.901 2.117 3.815 . 0 0 "[ . 1 . 2]" 1 778 2 30 LYS QB 2 58 MET ME 4.500 . 5.000 2.901 2.116 3.815 . 0 0 "[ . 1 . 2]" 1 779 1 30 LYS QE 1 58 MET ME 4.500 . 5.000 3.371 2.235 3.839 . 0 0 "[ . 1 . 2]" 1 780 2 30 LYS QE 2 58 MET ME 4.500 . 5.000 3.371 2.236 3.840 . 0 0 "[ . 1 . 2]" 1 781 1 30 LYS HE3 1 58 MET ME 4.500 . 5.000 3.786 2.252 4.619 . 0 0 "[ . 1 . 2]" 1 782 2 30 LYS HE3 2 58 MET ME 4.500 . 5.000 3.786 2.252 4.619 . 0 0 "[ . 1 . 2]" 1 783 1 30 LYS HE2 1 58 MET ME 4.500 . 5.000 4.088 2.947 4.870 . 0 0 "[ . 1 . 2]" 1 784 2 30 LYS HE2 2 58 MET ME 4.500 . 5.000 4.088 2.947 4.871 . 0 0 "[ . 1 . 2]" 1 785 1 30 LYS QG 1 58 MET ME 3.800 . 4.300 3.092 2.184 4.295 . 0 0 "[ . 1 . 2]" 1 786 2 30 LYS QG 2 58 MET ME 3.800 . 4.300 3.092 2.183 4.297 . 0 0 "[ . 1 . 2]" 1 787 1 30 LYS HG3 1 58 MET ME 4.500 . 5.000 3.382 2.200 4.983 . 0 0 "[ . 1 . 2]" 1 788 2 30 LYS HG3 2 58 MET ME 4.500 . 5.000 3.382 2.199 4.985 . 0 0 "[ . 1 . 2]" 1 789 1 30 LYS HG2 1 58 MET ME 4.500 . 5.000 4.196 3.539 4.847 . 0 0 "[ . 1 . 2]" 1 790 2 30 LYS HG2 2 58 MET ME 4.500 . 5.000 4.196 3.538 4.847 . 0 0 "[ . 1 . 2]" 1 791 1 30 LYS QE 1 58 MET H 5.200 . 5.700 4.529 4.021 5.204 . 0 0 "[ . 1 . 2]" 1 792 2 30 LYS QE 2 58 MET H 5.200 . 5.700 4.530 4.021 5.205 . 0 0 "[ . 1 . 2]" 1 793 1 30 LYS QG 1 69 VAL QG 5.200 . 5.700 4.129 3.170 5.558 . 0 0 "[ . 1 . 2]" 1 794 2 30 LYS QG 2 69 VAL QG 5.200 . 5.700 4.129 3.171 5.559 . 0 0 "[ . 1 . 2]" 1 795 1 31 LYS H 1 31 LYS HB3 3.800 . 4.300 2.627 2.587 2.662 . 0 0 "[ . 1 . 2]" 1 796 2 31 LYS H 2 31 LYS HB3 3.800 . 4.300 2.626 2.585 2.659 . 0 0 "[ . 1 . 2]" 1 797 1 31 LYS H 1 31 LYS HB2 3.800 . 4.300 2.491 2.462 2.525 . 0 0 "[ . 1 . 2]" 1 798 2 31 LYS H 2 31 LYS HB2 3.800 . 4.300 2.490 2.463 2.525 . 0 0 "[ . 1 . 2]" 1 799 1 31 LYS HA 1 31 LYS QD 3.800 . 4.300 3.256 2.167 3.983 . 0 0 "[ . 1 . 2]" 1 800 2 31 LYS HA 2 31 LYS QD 3.800 . 4.300 3.256 2.168 3.984 . 0 0 "[ . 1 . 2]" 1 801 1 31 LYS HA 1 31 LYS QE 4.500 . 5.000 4.308 3.971 4.511 . 0 0 "[ . 1 . 2]" 1 802 2 31 LYS HA 2 31 LYS QE 4.500 . 5.000 4.308 3.972 4.511 . 0 0 "[ . 1 . 2]" 1 803 1 31 LYS HA 1 31 LYS HE3 5.200 . 5.700 4.757 4.319 5.107 . 0 0 "[ . 1 . 2]" 1 804 2 31 LYS HA 2 31 LYS HE3 5.200 . 5.700 4.756 4.318 5.107 . 0 0 "[ . 1 . 2]" 1 805 1 31 LYS HA 1 31 LYS HE2 5.200 . 5.700 4.975 4.315 5.467 . 0 0 "[ . 1 . 2]" 1 806 2 31 LYS HA 2 31 LYS HE2 5.200 . 5.700 4.974 4.313 5.467 . 0 0 "[ . 1 . 2]" 1 807 1 31 LYS QB 1 32 GLU H 4.500 . 5.000 2.532 2.498 2.574 . 0 0 "[ . 1 . 2]" 1 808 2 31 LYS QB 2 32 GLU H 4.500 . 5.000 2.532 2.498 2.572 . 0 0 "[ . 1 . 2]" 1 809 1 31 LYS HB3 1 32 GLU H 4.500 . 5.000 2.570 2.534 2.614 . 0 0 "[ . 1 . 2]" 1 810 2 31 LYS HB3 2 32 GLU H 4.500 . 5.000 2.570 2.535 2.613 . 0 0 "[ . 1 . 2]" 1 811 1 31 LYS HB2 1 32 GLU H 4.500 . 5.000 3.821 3.779 3.852 . 0 0 "[ . 1 . 2]" 1 812 2 31 LYS HB2 2 32 GLU H 4.500 . 5.000 3.821 3.780 3.850 . 0 0 "[ . 1 . 2]" 1 813 1 31 LYS H 1 32 GLU H 4.500 . 5.000 2.680 2.618 2.728 . 0 0 "[ . 1 . 2]" 1 814 2 31 LYS H 2 32 GLU H 4.500 . 5.000 2.680 2.617 2.727 . 0 0 "[ . 1 . 2]" 1 815 1 32 GLU H 1 33 LEU H 4.500 . 5.000 2.546 2.492 2.630 . 0 0 "[ . 1 . 2]" 1 816 2 32 GLU H 2 33 LEU H 4.500 . 5.000 2.545 2.491 2.629 . 0 0 "[ . 1 . 2]" 1 817 1 33 LEU HA 1 33 LEU QD 3.800 . 4.300 2.236 2.121 2.992 . 0 0 "[ . 1 . 2]" 1 818 2 33 LEU HA 2 33 LEU QD 3.800 . 4.300 2.236 2.120 2.993 . 0 0 "[ . 1 . 2]" 1 819 1 33 LEU HA 1 33 LEU MD1 4.500 . 5.000 2.302 2.132 3.561 . 0 0 "[ . 1 . 2]" 1 820 2 33 LEU HA 2 33 LEU MD1 4.500 . 5.000 2.302 2.131 3.561 . 0 0 "[ . 1 . 2]" 1 821 1 33 LEU H 1 33 LEU MD1 4.500 . 5.000 4.023 3.938 4.184 . 0 0 "[ . 1 . 2]" 1 822 2 33 LEU H 2 33 LEU MD1 4.500 . 5.000 4.023 3.937 4.184 . 0 0 "[ . 1 . 2]" 1 823 1 33 LEU HA 1 33 LEU MD2 4.500 . 5.000 3.784 3.171 3.880 . 0 0 "[ . 1 . 2]" 1 824 2 33 LEU HA 2 33 LEU MD2 4.500 . 5.000 3.784 3.171 3.881 . 0 0 "[ . 1 . 2]" 1 825 1 33 LEU H 1 33 LEU MD2 4.500 . 5.000 4.259 4.184 4.290 . 0 0 "[ . 1 . 2]" 1 826 2 33 LEU H 2 33 LEU MD2 4.500 . 5.000 4.259 4.183 4.289 . 0 0 "[ . 1 . 2]" 1 827 1 33 LEU HA 1 34 LYS HA 5.200 . 5.700 4.778 4.743 4.812 . 0 0 "[ . 1 . 2]" 1 828 2 33 LEU HA 2 34 LYS HA 5.200 . 5.700 4.778 4.744 4.813 . 0 0 "[ . 1 . 2]" 1 829 1 33 LEU QD 1 34 LYS HA 4.500 . 5.000 3.974 2.602 4.196 . 0 0 "[ . 1 . 2]" 1 830 2 33 LEU QD 2 34 LYS HA 4.500 . 5.000 3.974 2.601 4.196 . 0 0 "[ . 1 . 2]" 1 831 1 33 LEU QB 1 34 LYS H 4.500 . 5.000 2.481 2.346 2.558 . 0 0 "[ . 1 . 2]" 1 832 2 33 LEU QB 2 34 LYS H 4.500 . 5.000 2.481 2.347 2.557 . 0 0 "[ . 1 . 2]" 1 833 1 33 LEU QD 1 34 LYS H 4.500 . 5.000 3.742 2.950 3.872 . 0 0 "[ . 1 . 2]" 1 834 2 33 LEU QD 2 34 LYS H 4.500 . 5.000 3.742 2.950 3.872 . 0 0 "[ . 1 . 2]" 1 835 1 33 LEU H 1 34 LYS H 4.500 . 5.000 2.830 2.667 2.917 . 0 0 "[ . 1 . 2]" 1 836 2 33 LEU H 2 34 LYS H 4.500 . 5.000 2.830 2.667 2.916 . 0 0 "[ . 1 . 2]" 1 837 1 33 LEU HA 1 36 LEU QD 4.500 . 5.000 3.361 2.856 3.660 . 0 0 "[ . 1 . 2]" 1 838 2 33 LEU HA 2 36 LEU QD 4.500 . 5.000 3.361 2.855 3.661 . 0 0 "[ . 1 . 2]" 1 839 1 33 LEU HA 1 36 LEU H 4.500 . 5.000 3.421 3.300 3.570 . 0 0 "[ . 1 . 2]" 1 840 2 33 LEU HA 2 36 LEU H 4.500 . 5.000 3.421 3.302 3.570 . 0 0 "[ . 1 . 2]" 1 841 1 33 LEU QD 1 37 LEU H 4.500 . 5.000 3.818 3.315 4.221 . 0 0 "[ . 1 . 2]" 1 842 2 33 LEU QD 2 37 LEU H 4.500 . 5.000 3.818 3.315 4.221 . 0 0 "[ . 1 . 2]" 1 843 1 33 LEU HG 1 37 LEU H 5.200 . 5.700 4.041 3.752 4.236 . 0 0 "[ . 1 . 2]" 1 844 2 33 LEU HG 2 37 LEU H 5.200 . 5.700 4.041 3.752 4.234 . 0 0 "[ . 1 . 2]" 1 845 1 34 LYS HA 1 34 LYS QD 4.500 . 5.000 3.885 2.157 4.122 . 0 0 "[ . 1 . 2]" 1 846 2 34 LYS HA 2 34 LYS QD 4.500 . 5.000 3.885 2.157 4.122 . 0 0 "[ . 1 . 2]" 1 847 1 34 LYS HA 1 34 LYS HD3 4.500 . 5.000 4.295 2.173 4.745 . 0 0 "[ . 1 . 2]" 1 848 2 34 LYS HA 2 34 LYS HD3 4.500 . 5.000 4.295 2.172 4.746 . 0 0 "[ . 1 . 2]" 1 849 1 34 LYS H 1 34 LYS HD3 5.200 . 5.700 5.011 4.434 5.771 0.071 3 0 "[ . 1 . 2]" 1 850 2 34 LYS H 2 34 LYS HD3 5.200 . 5.700 5.012 4.435 5.772 0.072 3 0 "[ . 1 . 2]" 1 851 1 34 LYS HA 1 34 LYS HD2 4.500 . 5.000 4.530 3.649 4.673 . 0 0 "[ . 1 . 2]" 1 852 2 34 LYS HA 2 34 LYS HD2 4.500 . 5.000 4.530 3.647 4.673 . 0 0 "[ . 1 . 2]" 1 853 1 34 LYS H 1 34 LYS HD2 5.200 . 5.700 4.972 4.061 5.761 0.061 17 0 "[ . 1 . 2]" 1 854 2 34 LYS H 2 34 LYS HD2 5.200 . 5.700 4.972 4.061 5.761 0.061 18 0 "[ . 1 . 2]" 1 855 1 34 LYS HA 1 34 LYS HE3 5.200 . 5.700 4.856 3.539 5.548 . 0 0 "[ . 1 . 2]" 1 856 2 34 LYS HA 2 34 LYS HE3 5.200 . 5.700 4.856 3.538 5.547 . 0 0 "[ . 1 . 2]" 1 857 1 34 LYS H 1 34 LYS HE3 5.200 . 5.700 4.695 4.300 5.094 . 0 0 "[ . 1 . 2]" 1 858 2 34 LYS H 2 34 LYS HE3 5.200 . 5.700 4.695 4.298 5.095 . 0 0 "[ . 1 . 2]" 1 859 1 34 LYS HA 1 34 LYS HE2 5.200 . 5.700 4.630 2.222 5.097 . 0 0 "[ . 1 . 2]" 1 860 2 34 LYS HA 2 34 LYS HE2 5.200 . 5.700 4.630 2.222 5.098 . 0 0 "[ . 1 . 2]" 1 861 1 34 LYS H 1 34 LYS HE2 5.200 . 5.700 4.724 3.573 5.303 . 0 0 "[ . 1 . 2]" 1 862 2 34 LYS H 2 34 LYS HE2 5.200 . 5.700 4.724 3.574 5.305 . 0 0 "[ . 1 . 2]" 1 863 1 34 LYS HA 1 34 LYS QG 3.800 . 4.300 2.379 2.316 2.956 . 0 0 "[ . 1 . 2]" 1 864 2 34 LYS HA 2 34 LYS QG 3.800 . 4.300 2.379 2.318 2.955 . 0 0 "[ . 1 . 2]" 1 865 1 34 LYS H 1 34 LYS QG 4.500 . 5.000 3.358 1.994 4.002 . 0 0 "[ . 1 . 2]" 1 866 2 34 LYS H 2 34 LYS QG 4.500 . 5.000 3.358 1.996 4.001 . 0 0 "[ . 1 . 2]" 1 867 1 34 LYS HA 1 35 GLU HA 5.200 . 5.700 4.762 4.746 4.773 . 0 0 "[ . 1 . 2]" 1 868 2 34 LYS HA 2 35 GLU HA 5.200 . 5.700 4.762 4.745 4.773 . 0 0 "[ . 1 . 2]" 1 869 1 34 LYS H 1 35 GLU QB 4.500 . 5.000 4.556 4.406 4.740 . 0 0 "[ . 1 . 2]" 1 870 2 34 LYS H 2 35 GLU QB 4.500 . 5.000 4.556 4.407 4.740 . 0 0 "[ . 1 . 2]" 1 871 1 34 LYS QB 1 35 GLU H 4.500 . 5.000 2.399 2.180 2.516 . 0 0 "[ . 1 . 2]" 1 872 2 34 LYS QB 2 35 GLU H 4.500 . 5.000 2.400 2.181 2.515 . 0 0 "[ . 1 . 2]" 1 873 1 34 LYS QD 1 35 GLU H 4.500 . 5.000 4.609 4.172 4.916 . 0 0 "[ . 1 . 2]" 1 874 2 34 LYS QD 2 35 GLU H 4.500 . 5.000 4.610 4.172 4.916 . 0 0 "[ . 1 . 2]" 1 875 1 34 LYS HD3 1 35 GLU H 5.200 . 5.700 5.457 4.768 5.765 0.065 5 0 "[ . 1 . 2]" 1 876 2 34 LYS HD3 2 35 GLU H 5.200 . 5.700 5.457 4.769 5.765 0.065 5 0 "[ . 1 . 2]" 1 877 1 34 LYS HD2 1 35 GLU H 5.200 . 5.700 5.104 4.317 5.726 0.026 15 0 "[ . 1 . 2]" 1 878 2 34 LYS HD2 2 35 GLU H 5.200 . 5.700 5.104 4.317 5.726 0.026 15 0 "[ . 1 . 2]" 1 879 1 34 LYS QG 1 35 GLU H 4.500 . 5.000 3.686 3.375 4.029 . 0 0 "[ . 1 . 2]" 1 880 2 34 LYS QG 2 35 GLU H 4.500 . 5.000 3.686 3.375 4.028 . 0 0 "[ . 1 . 2]" 1 881 1 34 LYS H 1 35 GLU H 3.800 . 4.300 2.734 2.668 2.819 . 0 0 "[ . 1 . 2]" 1 882 2 34 LYS H 2 35 GLU H 3.800 . 4.300 2.735 2.669 2.819 . 0 0 "[ . 1 . 2]" 1 883 1 34 LYS QB 1 51 VAL QG 4.500 . 5.000 4.434 3.409 5.015 0.015 13 0 "[ . 1 . 2]" 1 884 2 34 LYS QB 2 51 VAL QG 4.500 . 5.000 4.434 3.408 5.014 0.014 13 0 "[ . 1 . 2]" 1 885 1 34 LYS QD 1 51 VAL QG 4.500 . 5.000 3.092 1.988 4.687 . 0 0 "[ . 1 . 2]" 1 886 2 34 LYS QD 2 51 VAL QG 4.500 . 5.000 3.092 1.989 4.687 . 0 0 "[ . 1 . 2]" 1 887 1 34 LYS HA 1 54 VAL QG 3.800 . 4.300 3.271 2.380 4.011 . 0 0 "[ . 1 . 2]" 1 888 2 34 LYS HA 2 54 VAL QG 3.800 . 4.300 3.271 2.381 4.012 . 0 0 "[ . 1 . 2]" 1 889 1 34 LYS QB 1 54 VAL QG 3.800 . 4.300 3.434 2.600 3.910 . 0 0 "[ . 1 . 2]" 1 890 2 34 LYS QB 2 54 VAL QG 3.800 . 4.300 3.434 2.601 3.910 . 0 0 "[ . 1 . 2]" 1 891 1 34 LYS QD 1 54 VAL QG 4.500 . 5.000 3.228 2.297 4.161 . 0 0 "[ . 1 . 2]" 1 892 2 34 LYS QD 2 54 VAL QG 4.500 . 5.000 3.228 2.297 4.162 . 0 0 "[ . 1 . 2]" 1 893 1 34 LYS QE 1 54 VAL QG 3.800 . 4.300 3.198 2.011 4.326 0.026 17 0 "[ . 1 . 2]" 1 894 2 34 LYS QE 2 54 VAL QG 3.800 . 4.300 3.198 2.011 4.326 0.026 17 0 "[ . 1 . 2]" 1 895 1 34 LYS QG 1 54 VAL QG 4.500 . 5.000 2.635 2.160 3.960 . 0 0 "[ . 1 . 2]" 1 896 2 34 LYS QG 2 54 VAL QG 4.500 . 5.000 2.635 2.161 3.960 . 0 0 "[ . 1 . 2]" 1 897 1 34 LYS H 1 54 VAL QG 4.500 . 5.000 4.598 3.837 4.963 . 0 0 "[ . 1 . 2]" 1 898 2 34 LYS H 2 54 VAL QG 4.500 . 5.000 4.598 3.837 4.962 . 0 0 "[ . 1 . 2]" 1 899 1 34 LYS HB3 1 54 VAL MG1 5.200 . 5.700 4.782 3.952 5.606 . 0 0 "[ . 1 . 2]" 1 900 2 34 LYS HB3 2 54 VAL MG1 5.200 . 5.700 4.782 3.953 5.606 . 0 0 "[ . 1 . 2]" 1 901 1 34 LYS HB2 1 54 VAL MG1 5.200 . 5.700 4.185 2.994 5.443 . 0 0 "[ . 1 . 2]" 1 902 2 34 LYS HB2 2 54 VAL MG1 5.200 . 5.700 4.185 2.991 5.443 . 0 0 "[ . 1 . 2]" 1 903 1 34 LYS HB3 1 54 VAL MG2 5.200 . 5.700 5.098 4.100 5.705 0.005 18 0 "[ . 1 . 2]" 1 904 2 34 LYS HB3 2 54 VAL MG2 5.200 . 5.700 5.097 4.101 5.706 0.006 18 0 "[ . 1 . 2]" 1 905 1 34 LYS HB2 1 54 VAL MG2 5.200 . 5.700 4.495 2.767 5.709 0.009 2 0 "[ . 1 . 2]" 1 906 2 34 LYS HB2 2 54 VAL MG2 5.200 . 5.700 4.495 2.768 5.710 0.010 2 0 "[ . 1 . 2]" 1 907 1 35 GLU H 1 35 GLU QG 4.500 . 5.000 3.439 2.184 4.045 . 0 0 "[ . 1 . 2]" 1 908 2 35 GLU H 2 35 GLU QG 4.500 . 5.000 3.439 2.184 4.045 . 0 0 "[ . 1 . 2]" 1 909 1 35 GLU QB 1 36 LEU QD 5.200 . 5.700 4.721 4.535 4.953 . 0 0 "[ . 1 . 2]" 1 910 2 35 GLU QB 2 36 LEU QD 5.200 . 5.700 4.721 4.536 4.953 . 0 0 "[ . 1 . 2]" 1 911 1 35 GLU QB 1 36 LEU H 3.800 . 4.300 2.601 2.540 2.692 . 0 0 "[ . 1 . 2]" 1 912 2 35 GLU QB 2 36 LEU H 3.800 . 4.300 2.601 2.540 2.691 . 0 0 "[ . 1 . 2]" 1 913 1 35 GLU H 1 36 LEU H 4.500 . 5.000 2.666 2.610 2.757 . 0 0 "[ . 1 . 2]" 1 914 2 35 GLU H 2 36 LEU H 4.500 . 5.000 2.666 2.609 2.756 . 0 0 "[ . 1 . 2]" 1 915 1 36 LEU H 1 36 LEU HB3 3.800 . 4.300 2.534 2.234 2.663 . 0 0 "[ . 1 . 2]" 1 916 2 36 LEU H 2 36 LEU HB3 3.800 . 4.300 2.534 2.234 2.663 . 0 0 "[ . 1 . 2]" 1 917 1 36 LEU H 1 36 LEU HB2 3.800 . 4.300 2.495 2.344 2.699 . 0 0 "[ . 1 . 2]" 1 918 2 36 LEU H 2 36 LEU HB2 3.800 . 4.300 2.495 2.344 2.699 . 0 0 "[ . 1 . 2]" 1 919 1 36 LEU HA 1 36 LEU QD 3.800 . 4.300 2.353 2.096 3.010 . 0 0 "[ . 1 . 2]" 1 920 2 36 LEU HA 2 36 LEU QD 3.800 . 4.300 2.353 2.096 3.010 . 0 0 "[ . 1 . 2]" 1 921 1 36 LEU H 1 36 LEU QD 3.800 . 4.300 3.689 3.623 3.762 . 0 0 "[ . 1 . 2]" 1 922 2 36 LEU H 2 36 LEU QD 3.800 . 4.300 3.689 3.622 3.761 . 0 0 "[ . 1 . 2]" 1 923 1 36 LEU HA 1 36 LEU MD1 4.500 . 5.000 2.492 2.106 3.531 . 0 0 "[ . 1 . 2]" 1 924 2 36 LEU HA 2 36 LEU MD1 4.500 . 5.000 2.492 2.106 3.530 . 0 0 "[ . 1 . 2]" 1 925 1 36 LEU H 1 36 LEU MD1 4.500 . 5.000 4.056 3.924 4.210 . 0 0 "[ . 1 . 2]" 1 926 2 36 LEU H 2 36 LEU MD1 4.500 . 5.000 4.055 3.923 4.211 . 0 0 "[ . 1 . 2]" 1 927 1 36 LEU HA 1 36 LEU MD2 4.500 . 5.000 3.680 3.189 3.847 . 0 0 "[ . 1 . 2]" 1 928 2 36 LEU HA 2 36 LEU MD2 4.500 . 5.000 3.680 3.189 3.847 . 0 0 "[ . 1 . 2]" 1 929 1 36 LEU H 1 36 LEU MD2 4.500 . 5.000 4.245 4.179 4.281 . 0 0 "[ . 1 . 2]" 1 930 2 36 LEU H 2 36 LEU MD2 4.500 . 5.000 4.246 4.179 4.282 . 0 0 "[ . 1 . 2]" 1 931 1 36 LEU QD 1 37 LEU HA 3.800 . 4.300 3.766 2.773 4.200 . 0 0 "[ . 1 . 2]" 1 932 2 36 LEU QD 2 37 LEU HA 3.800 . 4.300 3.766 2.773 4.199 . 0 0 "[ . 1 . 2]" 1 933 1 36 LEU QD 1 37 LEU QB 4.500 . 5.000 4.525 3.710 4.881 . 0 0 "[ . 1 . 2]" 1 934 2 36 LEU QD 2 37 LEU QB 4.500 . 5.000 4.525 3.711 4.882 . 0 0 "[ . 1 . 2]" 1 935 1 36 LEU QB 1 37 LEU H 4.500 . 5.000 2.430 2.221 2.531 . 0 0 "[ . 1 . 2]" 1 936 2 36 LEU QB 2 37 LEU H 4.500 . 5.000 2.431 2.221 2.531 . 0 0 "[ . 1 . 2]" 1 937 1 36 LEU QD 1 37 LEU H 3.800 . 4.300 3.613 3.163 3.877 . 0 0 "[ . 1 . 2]" 1 938 2 36 LEU QD 2 37 LEU H 3.800 . 4.300 3.613 3.163 3.876 . 0 0 "[ . 1 . 2]" 1 939 1 36 LEU H 1 37 LEU H 4.500 . 5.000 2.770 2.679 2.871 . 0 0 "[ . 1 . 2]" 1 940 2 36 LEU H 2 37 LEU H 4.500 . 5.000 2.770 2.680 2.869 . 0 0 "[ . 1 . 2]" 1 941 1 36 LEU QD 1 74 TYR HE1 3.800 . 4.300 2.284 2.084 2.724 . 0 0 "[ . 1 . 2]" 1 942 2 36 LEU QD 2 74 TYR HE1 3.800 . 4.300 2.283 2.084 2.723 . 0 0 "[ . 1 . 2]" 1 943 1 36 LEU MD1 1 74 TYR HE1 4.500 . 5.000 4.426 2.766 5.010 0.010 1 0 "[ . 1 . 2]" 1 944 2 36 LEU MD1 2 74 TYR HE1 4.500 . 5.000 4.426 2.766 5.010 0.010 3 0 "[ . 1 . 2]" 1 945 1 36 LEU MD2 1 74 TYR HE1 4.500 . 5.000 2.308 2.087 2.736 . 0 0 "[ . 1 . 2]" 1 946 2 36 LEU MD2 2 74 TYR HE1 4.500 . 5.000 2.308 2.087 2.735 . 0 0 "[ . 1 . 2]" 1 947 1 37 LEU HA 1 37 LEU MD1 3.800 . 4.300 2.471 2.046 3.755 . 0 0 "[ . 1 . 2]" 1 948 2 37 LEU HA 2 37 LEU MD1 4.500 . 5.000 2.471 2.047 3.755 . 0 0 "[ . 1 . 2]" 1 949 1 37 LEU H 1 37 LEU MD1 4.500 . 5.000 3.939 3.672 4.051 . 0 0 "[ . 1 . 2]" 1 950 2 37 LEU H 2 37 LEU MD1 4.500 . 5.000 3.939 3.672 4.051 . 0 0 "[ . 1 . 2]" 1 951 1 37 LEU HA 1 37 LEU MD2 4.500 . 5.000 2.277 2.006 3.749 . 0 0 "[ . 1 . 2]" 1 952 2 37 LEU HA 2 37 LEU MD2 4.500 . 5.000 2.277 2.006 3.749 . 0 0 "[ . 1 . 2]" 1 953 1 37 LEU H 1 37 LEU MD2 4.500 . 5.000 2.288 1.818 4.162 . 0 0 "[ . 1 . 2]" 1 954 2 37 LEU H 2 37 LEU MD2 4.500 . 5.000 2.288 1.818 4.161 . 0 0 "[ . 1 . 2]" 1 955 1 37 LEU QB 1 38 GLN H 3.800 . 4.300 2.648 2.530 2.770 . 0 0 "[ . 1 . 2]" 1 956 2 37 LEU QB 2 38 GLN H 3.800 . 4.300 2.648 2.530 2.770 . 0 0 "[ . 1 . 2]" 1 957 1 37 LEU HB3 1 38 GLN H 4.500 . 5.000 3.448 2.644 3.826 . 0 0 "[ . 1 . 2]" 1 958 2 37 LEU HB3 2 38 GLN H 4.500 . 5.000 3.448 2.645 3.826 . 0 0 "[ . 1 . 2]" 1 959 1 37 LEU HB2 1 38 GLN H 4.500 . 5.000 2.857 2.606 3.920 . 0 0 "[ . 1 . 2]" 1 960 2 37 LEU HB2 2 38 GLN H 4.500 . 5.000 2.857 2.607 3.921 . 0 0 "[ . 1 . 2]" 1 961 1 37 LEU HA 1 41 LEU HB3 5.200 . 5.700 4.533 3.475 5.706 0.006 7 0 "[ . 1 . 2]" 1 962 2 37 LEU HA 2 41 LEU HB3 5.200 . 5.700 4.533 3.477 5.705 0.005 7 0 "[ . 1 . 2]" 1 963 1 37 LEU HA 1 41 LEU HB2 4.500 . 5.000 3.695 2.279 4.439 . 0 0 "[ . 1 . 2]" 1 964 2 37 LEU HA 2 41 LEU HB2 4.500 . 5.000 3.696 2.279 4.437 . 0 0 "[ . 1 . 2]" 1 965 1 37 LEU HA 1 41 LEU QD 4.500 . 5.000 3.889 2.419 4.579 . 0 0 "[ . 1 . 2]" 1 966 2 37 LEU HA 2 41 LEU QD 4.500 . 5.000 3.888 2.418 4.579 . 0 0 "[ . 1 . 2]" 1 967 1 38 GLN HA 1 38 GLN QG 3.800 . 4.300 2.418 2.292 2.856 . 0 0 "[ . 1 . 2]" 1 968 2 38 GLN HA 2 38 GLN QG 3.800 . 4.300 2.418 2.292 2.857 . 0 0 "[ . 1 . 2]" 1 969 1 38 GLN H 1 38 GLN QG 4.500 . 5.000 3.216 2.183 4.039 . 0 0 "[ . 1 . 2]" 1 970 2 38 GLN H 2 38 GLN QG 4.500 . 5.000 3.216 2.183 4.039 . 0 0 "[ . 1 . 2]" 1 971 1 38 GLN QB 1 39 THR HB 5.200 . 5.700 4.679 4.552 4.808 . 0 0 "[ . 1 . 2]" 1 972 2 38 GLN QB 2 39 THR HB 5.200 . 5.700 4.679 4.554 4.808 . 0 0 "[ . 1 . 2]" 1 973 1 38 GLN HB3 1 39 THR H 4.500 . 5.000 2.979 2.436 3.642 . 0 0 "[ . 1 . 2]" 1 974 2 38 GLN HB3 2 39 THR H 4.500 . 5.000 2.979 2.436 3.642 . 0 0 "[ . 1 . 2]" 1 975 1 38 GLN HB2 1 39 THR H 4.500 . 5.000 3.258 2.592 3.798 . 0 0 "[ . 1 . 2]" 1 976 2 38 GLN HB2 2 39 THR H 4.500 . 5.000 3.258 2.592 3.798 . 0 0 "[ . 1 . 2]" 1 977 1 38 GLN H 1 39 THR H 4.500 . 5.000 2.730 2.669 2.797 . 0 0 "[ . 1 . 2]" 1 978 2 38 GLN H 2 39 THR H 4.500 . 5.000 2.730 2.668 2.797 . 0 0 "[ . 1 . 2]" 1 979 1 38 GLN QB 1 40 GLU H 5.200 . 5.700 4.782 4.708 4.870 . 0 0 "[ . 1 . 2]" 1 980 2 38 GLN QB 2 40 GLU H 5.200 . 5.700 4.782 4.708 4.871 . 0 0 "[ . 1 . 2]" 1 981 1 38 GLN QB 1 47 ALA MB 4.500 . 5.000 4.065 3.019 5.008 0.008 10 0 "[ . 1 . 2]" 1 982 2 38 GLN QB 2 47 ALA MB 4.500 . 5.000 4.065 3.018 5.008 0.008 10 0 "[ . 1 . 2]" 1 983 1 38 GLN QG 1 47 ALA MB 4.500 . 5.000 3.163 1.968 4.165 . 0 0 "[ . 1 . 2]" 1 984 2 38 GLN QG 2 47 ALA MB 4.500 . 5.000 3.163 1.968 4.166 . 0 0 "[ . 1 . 2]" 1 985 1 39 THR H 1 39 THR MG 4.500 . 5.000 3.751 3.747 3.765 . 0 0 "[ . 1 . 2]" 1 986 2 39 THR H 2 39 THR MG 4.500 . 5.000 3.751 3.747 3.765 . 0 0 "[ . 1 . 2]" 1 987 1 39 THR HA 1 40 GLU HA 4.500 . 5.000 4.712 4.660 4.745 . 0 0 "[ . 1 . 2]" 1 988 2 39 THR HA 2 40 GLU HA 4.500 . 5.000 4.712 4.660 4.745 . 0 0 "[ . 1 . 2]" 1 989 1 39 THR MG 1 40 GLU HA 4.500 . 5.000 3.499 3.428 3.547 . 0 0 "[ . 1 . 2]" 1 990 2 39 THR MG 2 40 GLU HA 4.500 . 5.000 3.499 3.428 3.548 . 0 0 "[ . 1 . 2]" 1 991 1 39 THR HA 1 40 GLU QG 5.200 . 5.700 5.079 4.954 5.576 . 0 0 "[ . 1 . 2]" 1 992 2 39 THR HA 2 40 GLU QG 5.200 . 5.700 5.079 4.954 5.576 . 0 0 "[ . 1 . 2]" 1 993 1 39 THR HB 1 40 GLU QG 5.200 . 5.700 3.023 2.888 4.004 . 0 0 "[ . 1 . 2]" 1 994 2 39 THR HB 2 40 GLU QG 5.200 . 5.700 3.023 2.887 4.003 . 0 0 "[ . 1 . 2]" 1 995 1 39 THR MG 1 40 GLU QG 4.500 . 5.000 3.482 3.332 3.595 . 0 0 "[ . 1 . 2]" 1 996 2 39 THR MG 2 40 GLU QG 4.500 . 5.000 3.482 3.332 3.595 . 0 0 "[ . 1 . 2]" 1 997 1 39 THR HB 1 40 GLU H 4.500 . 5.000 2.521 2.307 2.576 . 0 0 "[ . 1 . 2]" 1 998 2 39 THR HB 2 40 GLU H 4.500 . 5.000 2.520 2.307 2.574 . 0 0 "[ . 1 . 2]" 1 999 1 39 THR MG 1 40 GLU H 4.500 . 5.000 3.463 3.263 3.512 . 0 0 "[ . 1 . 2]" 1 1000 2 39 THR MG 2 40 GLU H 4.500 . 5.000 3.463 3.264 3.511 . 0 0 "[ . 1 . 2]" 1 1001 1 39 THR H 1 40 GLU H 3.800 . 4.300 2.649 2.598 2.704 . 0 0 "[ . 1 . 2]" 1 1002 2 39 THR H 2 40 GLU H 3.800 . 4.300 2.648 2.598 2.703 . 0 0 "[ . 1 . 2]" 1 1003 1 39 THR MG 1 41 LEU H 5.200 . 5.700 5.103 5.026 5.177 . 0 0 "[ . 1 . 2]" 1 1004 2 39 THR MG 2 41 LEU H 5.200 . 5.700 5.103 5.026 5.178 . 0 0 "[ . 1 . 2]" 1 1005 1 39 THR H 1 41 LEU H 4.500 . 5.000 4.096 3.952 4.240 . 0 0 "[ . 1 . 2]" 1 1006 2 39 THR H 2 41 LEU H 4.500 . 5.000 4.096 3.951 4.241 . 0 0 "[ . 1 . 2]" 1 1007 1 40 GLU H 1 40 GLU QG 4.500 . 5.000 2.328 2.243 3.306 . 0 0 "[ . 1 . 2]" 1 1008 2 40 GLU H 2 40 GLU QG 4.500 . 5.000 2.328 2.243 3.307 . 0 0 "[ . 1 . 2]" 1 1009 1 40 GLU H 1 41 LEU H 3.800 . 4.300 2.618 2.549 2.721 . 0 0 "[ . 1 . 2]" 1 1010 2 40 GLU H 2 41 LEU H 3.800 . 4.300 2.618 2.550 2.719 . 0 0 "[ . 1 . 2]" 1 1011 1 41 LEU HA 1 41 LEU QD 3.800 . 4.300 2.138 1.961 2.937 . 0 0 "[ . 1 . 2]" 1 1012 2 41 LEU HA 2 41 LEU QD 3.800 . 4.300 2.138 1.961 2.938 . 0 0 "[ . 1 . 2]" 1 1013 1 41 LEU H 1 41 LEU QD 4.500 . 5.000 3.471 2.000 3.839 . 0 0 "[ . 1 . 2]" 1 1014 2 41 LEU H 2 41 LEU QD 4.500 . 5.000 3.471 1.999 3.840 . 0 0 "[ . 1 . 2]" 1 1015 1 41 LEU HA 1 41 LEU MD1 4.500 . 5.000 2.573 2.157 3.735 . 0 0 "[ . 1 . 2]" 1 1016 2 41 LEU HA 2 41 LEU MD1 4.500 . 5.000 2.573 2.157 3.735 . 0 0 "[ . 1 . 2]" 1 1017 1 41 LEU HA 1 41 LEU MD2 4.500 . 5.000 3.174 1.986 3.832 . 0 0 "[ . 1 . 2]" 1 1018 2 41 LEU HA 2 41 LEU MD2 4.500 . 5.000 3.174 1.985 3.833 . 0 0 "[ . 1 . 2]" 1 1019 1 41 LEU H 1 41 LEU HG 4.500 . 5.000 3.996 2.470 4.634 . 0 0 "[ . 1 . 2]" 1 1020 2 41 LEU H 2 41 LEU HG 4.500 . 5.000 3.996 2.470 4.635 . 0 0 "[ . 1 . 2]" 1 1021 1 41 LEU QD 1 42 SER HA 4.500 . 5.000 4.699 3.781 5.081 0.081 9 0 "[ . 1 . 2]" 1 1022 2 41 LEU QD 2 42 SER HA 4.500 . 5.000 4.699 3.780 5.081 0.081 9 0 "[ . 1 . 2]" 1 1023 1 41 LEU HA 1 42 SER H 3.800 . 4.300 2.164 2.116 2.219 . 0 0 "[ . 1 . 2]" 1 1024 2 41 LEU HA 2 42 SER H 3.800 . 4.300 2.164 2.116 2.219 . 0 0 "[ . 1 . 2]" 1 1025 1 41 LEU HB2 1 42 SER H 4.500 . 5.000 4.125 3.772 4.464 . 0 0 "[ . 1 . 2]" 1 1026 2 41 LEU HB2 2 42 SER H 4.500 . 5.000 4.125 3.773 4.463 . 0 0 "[ . 1 . 2]" 1 1027 1 41 LEU QD 1 42 SER H 4.500 . 5.000 2.694 2.009 3.086 . 0 0 "[ . 1 . 2]" 1 1028 2 41 LEU QD 2 42 SER H 4.500 . 5.000 2.694 2.009 3.087 . 0 0 "[ . 1 . 2]" 1 1029 1 41 LEU H 1 42 SER H 4.500 . 5.000 4.537 4.466 4.566 . 0 0 "[ . 1 . 2]" 1 1030 2 41 LEU H 2 42 SER H 4.500 . 5.000 4.538 4.467 4.566 . 0 0 "[ . 1 . 2]" 1 1031 1 41 LEU QD 1 81 LEU QB 4.500 . 5.000 2.589 2.103 3.962 . 0 0 "[ . 1 . 2]" 1 1032 2 41 LEU QD 2 81 LEU QB 4.500 . 5.000 2.589 2.104 3.962 . 0 0 "[ . 1 . 2]" 1 1033 1 41 LEU QD 1 81 LEU QD 4.500 . 5.000 2.169 1.793 3.200 0.007 7 0 "[ . 1 . 2]" 1 1034 2 41 LEU QD 2 81 LEU QD 4.500 . 5.000 2.169 1.793 3.200 0.007 7 0 "[ . 1 . 2]" 1 1035 1 43 GLY H 1 44 PHE H 4.500 . 5.000 2.822 2.722 2.875 . 0 0 "[ . 1 . 2]" 1 1036 2 43 GLY H 2 44 PHE H 4.500 . 5.000 2.822 2.723 2.874 . 0 0 "[ . 1 . 2]" 1 1037 1 43 GLY QA 1 46 ASP QB 3.800 . 4.300 2.925 2.171 4.209 . 0 0 "[ . 1 . 2]" 1 1038 2 43 GLY QA 2 46 ASP QB 3.800 . 4.300 2.926 2.171 4.209 . 0 0 "[ . 1 . 2]" 1 1039 1 43 GLY QA 1 46 ASP H 3.800 . 4.300 2.927 2.680 3.258 . 0 0 "[ . 1 . 2]" 1 1040 2 43 GLY QA 2 46 ASP H 3.800 . 4.300 2.927 2.679 3.259 . 0 0 "[ . 1 . 2]" 1 1041 1 44 PHE H 1 44 PHE HB2 3.800 . 4.300 2.436 2.402 2.485 . 0 0 "[ . 1 . 2]" 1 1042 1 44 PHE HA 1 45 LEU HA 4.500 . 5.000 4.830 4.779 4.892 . 0 0 "[ . 1 . 2]" 1 1043 2 44 PHE HA 2 45 LEU HA 4.500 . 5.000 4.830 4.780 4.893 . 0 0 "[ . 1 . 2]" 1 1044 1 44 PHE QD 1 45 LEU QB 4.500 . 5.000 4.164 3.731 4.541 . 0 0 "[ . 1 . 2]" 1 1045 2 44 PHE QD 2 45 LEU QB 4.500 . 5.000 4.164 3.730 4.540 . 0 0 "[ . 1 . 2]" 1 1046 1 44 PHE H 1 45 LEU QB 5.200 . 5.700 4.612 4.500 4.899 . 0 0 "[ . 1 . 2]" 1 1047 2 44 PHE H 2 45 LEU QB 5.200 . 5.700 4.612 4.500 4.899 . 0 0 "[ . 1 . 2]" 1 1048 1 44 PHE QD 1 45 LEU QD 3.800 . 4.300 3.558 2.153 4.200 . 0 0 "[ . 1 . 2]" 1 1049 2 44 PHE QD 2 45 LEU QD 3.800 . 4.300 3.558 2.153 4.199 . 0 0 "[ . 1 . 2]" 1 1050 1 44 PHE H 1 45 LEU QD 5.200 . 5.700 5.312 3.441 5.715 0.015 13 0 "[ . 1 . 2]" 1 1051 2 44 PHE H 2 45 LEU QD 5.200 . 5.700 5.312 3.441 5.715 0.015 13 0 "[ . 1 . 2]" 1 1052 1 44 PHE H 1 45 LEU H 4.500 . 5.000 2.820 2.766 2.889 . 0 0 "[ . 1 . 2]" 1 1053 2 44 PHE H 2 45 LEU H 4.500 . 5.000 2.820 2.766 2.888 . 0 0 "[ . 1 . 2]" 1 1054 1 44 PHE HA 1 47 ALA MB 3.800 . 4.300 2.646 1.984 3.368 . 0 0 "[ . 1 . 2]" 1 1055 2 44 PHE HA 2 47 ALA MB 3.800 . 4.300 2.646 1.983 3.368 . 0 0 "[ . 1 . 2]" 1 1056 1 45 LEU HA 1 45 LEU QD 3.800 . 4.300 2.156 1.980 2.834 . 0 0 "[ . 1 . 2]" 1 1057 2 45 LEU HA 2 45 LEU QD 3.800 . 4.300 2.155 1.980 2.835 . 0 0 "[ . 1 . 2]" 1 1058 1 45 LEU H 1 45 LEU QD 4.500 . 5.000 3.364 1.791 3.679 0.009 20 0 "[ . 1 . 2]" 1 1059 2 45 LEU H 2 45 LEU QD 4.500 . 5.000 3.364 1.791 3.679 0.009 20 0 "[ . 1 . 2]" 1 1060 1 45 LEU HA 1 45 LEU MD1 3.800 . 4.300 2.449 2.160 3.792 . 0 0 "[ . 1 . 2]" 1 1061 2 45 LEU HA 2 45 LEU MD1 3.800 . 4.300 2.449 2.160 3.792 . 0 0 "[ . 1 . 2]" 1 1062 1 45 LEU HA 1 45 LEU MD2 3.800 . 4.300 3.404 2.051 3.840 . 0 0 "[ . 1 . 2]" 1 1063 2 45 LEU HA 2 45 LEU MD2 3.800 . 4.300 3.403 2.050 3.839 . 0 0 "[ . 1 . 2]" 1 1064 1 45 LEU HA 1 46 ASP HA 4.500 . 5.000 4.712 4.594 4.898 . 0 0 "[ . 1 . 2]" 1 1065 2 45 LEU HA 2 46 ASP HA 4.500 . 5.000 4.712 4.594 4.898 . 0 0 "[ . 1 . 2]" 1 1066 1 45 LEU QB 1 46 ASP HA 4.500 . 5.000 4.141 3.968 4.363 . 0 0 "[ . 1 . 2]" 1 1067 2 45 LEU QB 2 46 ASP HA 4.500 . 5.000 4.141 3.968 4.364 . 0 0 "[ . 1 . 2]" 1 1068 1 45 LEU QB 1 46 ASP H 4.500 . 5.000 2.632 2.461 2.840 . 0 0 "[ . 1 . 2]" 1 1069 2 45 LEU QB 2 46 ASP H 4.500 . 5.000 2.632 2.461 2.839 . 0 0 "[ . 1 . 2]" 1 1070 1 45 LEU QD 1 46 ASP H 4.500 . 5.000 3.936 3.452 4.127 . 0 0 "[ . 1 . 2]" 1 1071 2 45 LEU QD 2 46 ASP H 4.500 . 5.000 3.936 3.452 4.128 . 0 0 "[ . 1 . 2]" 1 1072 1 45 LEU MD1 1 46 ASP H 5.200 . 5.700 4.542 3.546 4.796 . 0 0 "[ . 1 . 2]" 1 1073 2 45 LEU MD1 2 46 ASP H 5.200 . 5.700 4.542 3.546 4.797 . 0 0 "[ . 1 . 2]" 1 1074 1 45 LEU MD2 1 46 ASP H 5.200 . 5.700 4.383 3.902 4.957 . 0 0 "[ . 1 . 2]" 1 1075 2 45 LEU MD2 2 46 ASP H 5.200 . 5.700 4.384 3.902 4.957 . 0 0 "[ . 1 . 2]" 1 1076 1 45 LEU HA 1 47 ALA MB 4.500 . 5.000 4.248 3.806 5.004 0.004 2 0 "[ . 1 . 2]" 1 1077 2 45 LEU HA 2 47 ALA MB 4.500 . 5.000 4.248 3.807 5.005 0.005 2 0 "[ . 1 . 2]" 1 1078 1 46 ASP QB 1 47 ALA MB 5.200 . 5.700 4.728 3.915 5.151 . 0 0 "[ . 1 . 2]" 1 1079 2 46 ASP QB 2 47 ALA MB 5.200 . 5.700 4.728 3.915 5.151 . 0 0 "[ . 1 . 2]" 1 1080 1 46 ASP HB3 1 47 ALA H 5.200 . 5.700 4.088 2.760 4.492 . 0 0 "[ . 1 . 2]" 1 1081 2 46 ASP HB3 2 47 ALA H 5.200 . 5.700 4.088 2.759 4.493 . 0 0 "[ . 1 . 2]" 1 1082 1 46 ASP HB2 1 47 ALA H 5.200 . 5.700 4.075 3.660 4.499 . 0 0 "[ . 1 . 2]" 1 1083 2 46 ASP HB2 2 47 ALA H 5.200 . 5.700 4.075 3.663 4.498 . 0 0 "[ . 1 . 2]" 1 1084 1 46 ASP H 1 47 ALA H 4.500 . 5.000 2.615 2.280 2.772 . 0 0 "[ . 1 . 2]" 1 1085 2 46 ASP H 2 47 ALA H 4.500 . 5.000 2.615 2.281 2.772 . 0 0 "[ . 1 . 2]" 1 1086 1 47 ALA MB 1 48 GLN QG 4.500 . 5.000 3.936 3.553 4.378 . 0 0 "[ . 1 . 2]" 1 1087 2 47 ALA MB 2 48 GLN QG 4.500 . 5.000 3.936 3.553 4.378 . 0 0 "[ . 1 . 2]" 1 1088 1 47 ALA MB 1 48 GLN H 3.800 . 4.300 2.949 1.933 3.556 . 0 0 "[ . 1 . 2]" 1 1089 2 47 ALA MB 2 48 GLN H 3.800 . 4.300 2.950 1.934 3.555 . 0 0 "[ . 1 . 2]" 1 1090 1 47 ALA MB 1 51 VAL HB 4.500 . 5.000 4.000 2.129 5.028 0.028 14 0 "[ . 1 . 2]" 1 1091 2 47 ALA MB 2 51 VAL HB 4.500 . 5.000 4.000 2.130 5.028 0.028 14 0 "[ . 1 . 2]" 1 1092 1 47 ALA HA 1 51 VAL QG 4.500 . 5.000 2.824 1.944 4.586 . 0 0 "[ . 1 . 2]" 1 1093 2 47 ALA HA 2 51 VAL QG 4.500 . 5.000 2.824 1.945 4.586 . 0 0 "[ . 1 . 2]" 1 1094 1 48 GLN HA 1 48 GLN QE 5.200 . 5.700 4.517 3.212 4.708 . 0 0 "[ . 1 . 2]" 1 1095 2 48 GLN HA 2 48 GLN QE 5.200 . 5.700 4.517 3.213 4.708 . 0 0 "[ . 1 . 2]" 1 1096 1 48 GLN HA 1 48 GLN QG 3.800 . 4.300 2.409 2.337 2.976 . 0 0 "[ . 1 . 2]" 1 1097 2 48 GLN HA 2 48 GLN QG 3.800 . 4.300 2.409 2.336 2.973 . 0 0 "[ . 1 . 2]" 1 1098 1 48 GLN H 1 48 GLN QG 4.500 . 5.000 2.049 1.827 2.345 . 0 0 "[ . 1 . 2]" 1 1099 2 48 GLN H 2 48 GLN QG 4.500 . 5.000 2.048 1.820 2.344 . 0 0 "[ . 1 . 2]" 1 1100 1 48 GLN QB 1 49 LYS HG2 3.800 . 4.300 2.990 2.817 3.310 . 0 0 "[ . 1 . 2]" 1 1101 2 48 GLN QB 2 49 LYS HG2 3.800 . 4.300 2.990 2.819 3.309 . 0 0 "[ . 1 . 2]" 1 1102 1 48 GLN HB3 1 49 LYS HG2 4.500 . 5.000 3.313 2.987 4.449 . 0 0 "[ . 1 . 2]" 1 1103 2 48 GLN HB3 2 49 LYS HG2 4.500 . 5.000 3.314 2.987 4.448 . 0 0 "[ . 1 . 2]" 1 1104 1 48 GLN HB2 1 49 LYS HG2 4.500 . 5.000 3.644 3.151 4.548 . 0 0 "[ . 1 . 2]" 1 1105 2 48 GLN HB2 2 49 LYS HG2 4.500 . 5.000 3.644 3.151 4.549 . 0 0 "[ . 1 . 2]" 1 1106 1 48 GLN QG 1 49 LYS HG2 5.200 . 5.700 5.054 4.634 5.333 . 0 0 "[ . 1 . 2]" 1 1107 2 48 GLN QG 2 49 LYS HG2 5.200 . 5.700 5.054 4.636 5.332 . 0 0 "[ . 1 . 2]" 1 1108 1 49 LYS HA 1 49 LYS HG2 3.800 . 4.300 3.705 3.676 3.712 . 0 0 "[ . 1 . 2]" 1 1109 2 49 LYS HA 2 49 LYS HG2 3.800 . 4.300 3.705 3.677 3.712 . 0 0 "[ . 1 . 2]" 1 1110 1 49 LYS HG3 1 50 ASP HA 4.500 . 5.000 3.153 3.055 3.263 . 0 0 "[ . 1 . 2]" 1 1111 2 49 LYS HG3 2 50 ASP HA 4.500 . 5.000 3.154 3.057 3.264 . 0 0 "[ . 1 . 2]" 1 1112 1 49 LYS HG3 1 50 ASP HB2 5.200 . 5.700 4.734 4.438 5.046 . 0 0 "[ . 1 . 2]" 1 1113 2 49 LYS HG3 2 50 ASP HB2 5.200 . 5.700 4.735 4.439 5.046 . 0 0 "[ . 1 . 2]" 1 1114 1 49 LYS HG2 1 50 ASP HB2 5.200 . 5.700 4.718 4.407 5.050 . 0 0 "[ . 1 . 2]" 1 1115 2 49 LYS HG2 2 50 ASP HB2 5.200 . 5.700 4.719 4.407 5.051 . 0 0 "[ . 1 . 2]" 1 1116 1 49 LYS HA 1 50 ASP H 3.800 . 4.300 3.467 3.422 3.518 . 0 0 "[ . 1 . 2]" 1 1117 2 49 LYS HA 2 50 ASP H 3.800 . 4.300 3.467 3.422 3.519 . 0 0 "[ . 1 . 2]" 1 1118 1 49 LYS QB 1 50 ASP H 4.500 . 5.000 3.576 3.443 3.720 . 0 0 "[ . 1 . 2]" 1 1119 2 49 LYS QB 2 50 ASP H 4.500 . 5.000 3.576 3.442 3.721 . 0 0 "[ . 1 . 2]" 1 1120 1 49 LYS HB3 1 50 ASP H 4.500 . 5.000 4.004 3.859 4.162 . 0 0 "[ . 1 . 2]" 1 1121 2 49 LYS HB3 2 50 ASP H 4.500 . 5.000 4.004 3.859 4.163 . 0 0 "[ . 1 . 2]" 1 1122 1 49 LYS HB2 1 50 ASP H 4.500 . 5.000 4.024 3.870 4.190 . 0 0 "[ . 1 . 2]" 1 1123 2 49 LYS HB2 2 50 ASP H 4.500 . 5.000 4.024 3.868 4.190 . 0 0 "[ . 1 . 2]" 1 1124 1 49 LYS HG2 1 50 ASP H 4.500 . 5.000 2.484 2.232 2.790 . 0 0 "[ . 1 . 2]" 1 1125 2 49 LYS HG2 2 50 ASP H 4.500 . 5.000 2.484 2.231 2.791 . 0 0 "[ . 1 . 2]" 1 1126 1 50 ASP HA 1 51 VAL HA 5.200 . 5.700 4.881 4.841 4.937 . 0 0 "[ . 1 . 2]" 1 1127 2 50 ASP HA 2 51 VAL HA 5.200 . 5.700 4.881 4.841 4.935 . 0 0 "[ . 1 . 2]" 1 1128 1 50 ASP HB2 1 51 VAL HA 4.500 . 5.000 4.336 4.291 4.395 . 0 0 "[ . 1 . 2]" 1 1129 2 50 ASP HB2 2 51 VAL HA 4.500 . 5.000 4.336 4.293 4.395 . 0 0 "[ . 1 . 2]" 1 1130 1 50 ASP HA 1 51 VAL QG 4.500 . 5.000 4.610 4.292 4.917 . 0 0 "[ . 1 . 2]" 1 1131 2 50 ASP HA 2 51 VAL QG 4.500 . 5.000 4.610 4.292 4.917 . 0 0 "[ . 1 . 2]" 1 1132 1 50 ASP HA 1 51 VAL H 3.800 . 4.300 3.518 3.491 3.547 . 0 0 "[ . 1 . 2]" 1 1133 2 50 ASP HA 2 51 VAL H 3.800 . 4.300 3.518 3.489 3.547 . 0 0 "[ . 1 . 2]" 1 1134 1 50 ASP HA 1 52 ASP H 3.800 . 4.300 3.794 3.406 4.070 . 0 0 "[ . 1 . 2]" 1 1135 2 50 ASP HA 2 52 ASP H 3.800 . 4.300 3.793 3.406 4.068 . 0 0 "[ . 1 . 2]" 1 1136 1 50 ASP HB3 1 53 ALA MB 4.500 . 5.000 3.993 3.475 4.473 . 0 0 "[ . 1 . 2]" 1 1137 2 50 ASP HB3 2 53 ALA MB 4.500 . 5.000 3.993 3.475 4.473 . 0 0 "[ . 1 . 2]" 1 1138 1 50 ASP HB2 1 53 ALA MB 5.200 . 5.700 5.143 4.674 5.552 . 0 0 "[ . 1 . 2]" 1 1139 2 50 ASP HB2 2 53 ALA MB 5.200 . 5.700 5.143 4.672 5.552 . 0 0 "[ . 1 . 2]" 1 1140 1 51 VAL HA 1 51 VAL QG 2.800 . 3.300 2.213 2.060 2.403 . 0 0 "[ . 1 . 2]" 1 1141 2 51 VAL HA 2 51 VAL QG 2.800 . 3.300 2.213 2.060 2.404 . 0 0 "[ . 1 . 2]" 1 1142 1 51 VAL HA 1 52 ASP HA 4.500 . 5.000 4.854 4.792 4.891 . 0 0 "[ . 1 . 2]" 1 1143 2 51 VAL HA 2 52 ASP HA 4.500 . 5.000 4.854 4.792 4.892 . 0 0 "[ . 1 . 2]" 1 1144 1 51 VAL QG 1 52 ASP HA 4.500 . 5.000 3.091 2.939 3.323 . 0 0 "[ . 1 . 2]" 1 1145 2 51 VAL QG 2 52 ASP HA 4.500 . 5.000 3.091 2.939 3.323 . 0 0 "[ . 1 . 2]" 1 1146 1 51 VAL QG 1 52 ASP QB 3.800 . 4.300 3.660 3.039 4.352 0.052 20 0 "[ . 1 . 2]" 1 1147 2 51 VAL QG 2 52 ASP QB 3.800 . 4.300 3.660 3.039 4.353 0.053 20 0 "[ . 1 . 2]" 1 1148 1 51 VAL HB 1 52 ASP H 4.500 . 5.000 3.727 2.633 4.220 . 0 0 "[ . 1 . 2]" 1 1149 2 51 VAL HB 2 52 ASP H 4.500 . 5.000 3.727 2.634 4.220 . 0 0 "[ . 1 . 2]" 1 1150 1 51 VAL QG 1 52 ASP H 4.500 . 5.000 2.297 1.807 3.232 . 0 0 "[ . 1 . 2]" 1 1151 2 51 VAL QG 2 52 ASP H 4.500 . 5.000 2.297 1.807 3.232 . 0 0 "[ . 1 . 2]" 1 1152 1 51 VAL QG 1 53 ALA H 4.500 . 5.000 4.122 3.937 4.394 . 0 0 "[ . 1 . 2]" 1 1153 2 51 VAL QG 2 53 ALA H 4.500 . 5.000 4.122 3.936 4.394 . 0 0 "[ . 1 . 2]" 1 1154 1 51 VAL HA 1 54 VAL H 4.500 . 5.000 3.420 3.226 3.518 . 0 0 "[ . 1 . 2]" 1 1155 2 51 VAL HA 2 54 VAL H 4.500 . 5.000 3.420 3.225 3.519 . 0 0 "[ . 1 . 2]" 1 1156 1 51 VAL QG 1 54 VAL H 4.500 . 5.000 3.857 3.533 4.371 . 0 0 "[ . 1 . 2]" 1 1157 2 51 VAL QG 2 54 VAL H 4.500 . 5.000 3.857 3.534 4.372 . 0 0 "[ . 1 . 2]" 1 1158 1 52 ASP QB 1 53 ALA H 4.500 . 5.000 2.943 2.659 3.569 . 0 0 "[ . 1 . 2]" 1 1159 2 52 ASP QB 2 53 ALA H 4.500 . 5.000 2.943 2.659 3.568 . 0 0 "[ . 1 . 2]" 1 1160 1 52 ASP H 1 53 ALA H 4.500 . 5.000 2.722 2.642 2.803 . 0 0 "[ . 1 . 2]" 1 1161 2 52 ASP H 2 53 ALA H 4.500 . 5.000 2.722 2.641 2.802 . 0 0 "[ . 1 . 2]" 1 1162 1 52 ASP HA 1 54 VAL QG 4.500 . 5.000 3.310 2.923 4.592 . 0 0 "[ . 1 . 2]" 1 1163 2 52 ASP HA 2 54 VAL QG 4.500 . 5.000 3.310 2.924 4.592 . 0 0 "[ . 1 . 2]" 1 1164 1 53 ALA MB 1 54 VAL HB 4.500 . 5.000 4.458 4.309 4.903 . 0 0 "[ . 1 . 2]" 1 1165 2 53 ALA MB 2 54 VAL HB 4.500 . 5.000 4.458 4.308 4.904 . 0 0 "[ . 1 . 2]" 1 1166 1 53 ALA HA 1 54 VAL QG 4.500 . 5.000 4.652 4.559 4.853 . 0 0 "[ . 1 . 2]" 1 1167 2 53 ALA HA 2 54 VAL QG 4.500 . 5.000 4.652 4.560 4.853 . 0 0 "[ . 1 . 2]" 1 1168 1 53 ALA H 1 54 VAL QG 4.500 . 5.000 4.152 3.879 4.276 . 0 0 "[ . 1 . 2]" 1 1169 2 53 ALA H 2 54 VAL QG 4.500 . 5.000 4.152 3.881 4.277 . 0 0 "[ . 1 . 2]" 1 1170 1 53 ALA MB 1 54 VAL H 4.500 . 5.000 2.808 2.769 2.835 . 0 0 "[ . 1 . 2]" 1 1171 2 53 ALA MB 2 54 VAL H 4.500 . 5.000 2.808 2.769 2.834 . 0 0 "[ . 1 . 2]" 1 1172 1 53 ALA H 1 54 VAL H 4.500 . 5.000 2.657 2.612 2.697 . 0 0 "[ . 1 . 2]" 1 1173 2 53 ALA H 2 54 VAL H 4.500 . 5.000 2.658 2.613 2.696 . 0 0 "[ . 1 . 2]" 1 1174 1 53 ALA HA 1 55 ASP QB 5.200 . 5.700 4.401 4.208 4.571 . 0 0 "[ . 1 . 2]" 1 1175 2 53 ALA HA 2 55 ASP QB 5.200 . 5.700 4.401 4.207 4.571 . 0 0 "[ . 1 . 2]" 1 1176 1 53 ALA HA 1 55 ASP H 4.500 . 5.000 3.894 3.826 4.017 . 0 0 "[ . 1 . 2]" 1 1177 2 53 ALA HA 2 55 ASP H 4.500 . 5.000 3.894 3.825 4.020 . 0 0 "[ . 1 . 2]" 1 1178 1 53 ALA MB 1 55 ASP H 4.500 . 5.000 4.490 4.457 4.567 . 0 0 "[ . 1 . 2]" 1 1179 2 53 ALA MB 2 55 ASP H 4.500 . 5.000 4.490 4.457 4.568 . 0 0 "[ . 1 . 2]" 1 1180 1 53 ALA HA 1 56 LYS HB2 3.800 . 4.300 2.788 2.569 3.145 . 0 0 "[ . 1 . 2]" 1 1181 2 53 ALA HA 2 56 LYS HB2 3.800 . 4.300 2.788 2.568 3.147 . 0 0 "[ . 1 . 2]" 1 1182 1 53 ALA MB 1 56 LYS HB2 4.500 . 5.000 3.445 3.148 3.838 . 0 0 "[ . 1 . 2]" 1 1183 2 53 ALA MB 2 56 LYS HB2 4.500 . 5.000 3.445 3.147 3.839 . 0 0 "[ . 1 . 2]" 1 1184 1 53 ALA HA 1 56 LYS HD3 5.200 . 5.700 4.450 4.092 5.057 . 0 0 "[ . 1 . 2]" 1 1185 2 53 ALA HA 2 56 LYS HD3 5.200 . 5.700 4.450 4.091 5.056 . 0 0 "[ . 1 . 2]" 1 1186 1 53 ALA HA 1 56 LYS HD2 5.200 . 5.700 3.099 2.472 5.298 . 0 0 "[ . 1 . 2]" 1 1187 2 53 ALA HA 2 56 LYS HD2 5.200 . 5.700 3.099 2.473 5.297 . 0 0 "[ . 1 . 2]" 1 1188 1 53 ALA HA 1 56 LYS QG 4.500 . 5.000 2.834 2.490 3.408 . 0 0 "[ . 1 . 2]" 1 1189 2 53 ALA HA 2 56 LYS QG 4.500 . 5.000 2.834 2.489 3.408 . 0 0 "[ . 1 . 2]" 1 1190 1 53 ALA HA 1 56 LYS H 4.500 . 5.000 3.035 2.909 3.193 . 0 0 "[ . 1 . 2]" 1 1191 2 53 ALA HA 2 56 LYS H 4.500 . 5.000 3.036 2.910 3.193 . 0 0 "[ . 1 . 2]" 1 1192 1 53 ALA MB 1 57 VAL HB 5.200 . 5.700 5.327 3.693 5.713 0.013 3 0 "[ . 1 . 2]" 1 1193 2 53 ALA MB 2 57 VAL HB 5.200 . 5.700 5.327 3.693 5.712 0.012 3 0 "[ . 1 . 2]" 1 1194 1 53 ALA HA 1 57 VAL H 4.500 . 5.000 4.250 4.010 4.451 . 0 0 "[ . 1 . 2]" 1 1195 2 53 ALA HA 2 57 VAL H 4.500 . 5.000 4.250 4.008 4.451 . 0 0 "[ . 1 . 2]" 1 1196 1 53 ALA MB 1 57 VAL H 4.500 . 5.000 4.131 4.051 4.233 . 0 0 "[ . 1 . 2]" 1 1197 2 53 ALA MB 2 57 VAL H 4.500 . 5.000 4.131 4.052 4.233 . 0 0 "[ . 1 . 2]" 1 1198 1 54 VAL H 1 54 VAL HB 3.800 . 4.300 2.347 2.305 2.505 . 0 0 "[ . 1 . 2]" 1 1199 2 54 VAL H 2 54 VAL HB 3.800 . 4.300 2.347 2.305 2.505 . 0 0 "[ . 1 . 2]" 1 1200 1 54 VAL H 1 54 VAL MG1 4.500 . 5.000 2.676 2.417 3.755 . 0 0 "[ . 1 . 2]" 1 1201 2 54 VAL H 2 54 VAL MG1 4.500 . 5.000 2.676 2.418 3.755 . 0 0 "[ . 1 . 2]" 1 1202 1 54 VAL H 1 54 VAL MG2 4.500 . 5.000 3.465 2.062 3.709 . 0 0 "[ . 1 . 2]" 1 1203 2 54 VAL H 2 54 VAL MG2 4.500 . 5.000 3.465 2.063 3.709 . 0 0 "[ . 1 . 2]" 1 1204 1 54 VAL QG 1 55 ASP HA 4.500 . 5.000 3.031 2.918 3.401 . 0 0 "[ . 1 . 2]" 1 1205 2 54 VAL QG 2 55 ASP HA 4.500 . 5.000 3.031 2.917 3.401 . 0 0 "[ . 1 . 2]" 1 1206 1 54 VAL QG 1 55 ASP QB 4.500 . 5.000 3.419 2.838 4.487 . 0 0 "[ . 1 . 2]" 1 1207 2 54 VAL QG 2 55 ASP QB 4.500 . 5.000 3.419 2.838 4.487 . 0 0 "[ . 1 . 2]" 1 1208 1 54 VAL HB 1 55 ASP H 4.500 . 5.000 3.633 2.589 3.840 . 0 0 "[ . 1 . 2]" 1 1209 2 54 VAL HB 2 55 ASP H 4.500 . 5.000 3.632 2.589 3.841 . 0 0 "[ . 1 . 2]" 1 1210 1 54 VAL QG 1 55 ASP H 3.800 . 4.300 2.014 1.786 3.242 0.014 15 0 "[ . 1 . 2]" 1 1211 2 54 VAL QG 2 55 ASP H 3.800 . 4.300 2.014 1.787 3.242 0.013 15 0 "[ . 1 . 2]" 1 1212 1 54 VAL H 1 55 ASP H 3.800 . 4.300 2.756 2.714 2.803 . 0 0 "[ . 1 . 2]" 1 1213 2 54 VAL H 2 55 ASP H 3.800 . 4.300 2.755 2.715 2.803 . 0 0 "[ . 1 . 2]" 1 1214 1 54 VAL HA 1 57 VAL HB 4.500 . 5.000 4.635 3.665 4.993 . 0 0 "[ . 1 . 2]" 1 1215 2 54 VAL HA 2 57 VAL HB 4.500 . 5.000 4.635 3.665 4.992 . 0 0 "[ . 1 . 2]" 1 1216 1 54 VAL HA 1 57 VAL MG2 4.500 . 5.000 2.594 2.044 4.557 . 0 0 "[ . 1 . 2]" 1 1217 2 54 VAL HA 2 57 VAL MG2 4.500 . 5.000 2.594 2.044 4.558 . 0 0 "[ . 1 . 2]" 1 1218 1 54 VAL HA 1 57 VAL H 4.500 . 5.000 3.520 3.153 3.818 . 0 0 "[ . 1 . 2]" 1 1219 2 54 VAL HA 2 57 VAL H 4.500 . 5.000 3.519 3.153 3.817 . 0 0 "[ . 1 . 2]" 1 1220 1 55 ASP H 1 56 LYS HB2 5.200 . 5.700 4.775 4.677 4.896 . 0 0 "[ . 1 . 2]" 1 1221 2 55 ASP H 2 56 LYS HB2 5.200 . 5.700 4.775 4.679 4.896 . 0 0 "[ . 1 . 2]" 1 1222 1 55 ASP QB 1 56 LYS QG 4.500 . 5.000 3.108 3.044 3.179 . 0 0 "[ . 1 . 2]" 1 1223 2 55 ASP QB 2 56 LYS QG 4.500 . 5.000 3.108 3.044 3.180 . 0 0 "[ . 1 . 2]" 1 1224 1 55 ASP HA 1 58 MET QB 4.500 . 5.000 3.174 2.669 3.428 . 0 0 "[ . 1 . 2]" 1 1225 2 55 ASP HA 2 58 MET QB 4.500 . 5.000 3.174 2.669 3.429 . 0 0 "[ . 1 . 2]" 1 1226 1 55 ASP H 1 58 MET QB 5.200 . 5.700 5.349 4.597 5.705 0.005 6 0 "[ . 1 . 2]" 1 1227 2 55 ASP H 2 58 MET QB 5.200 . 5.700 5.350 4.597 5.704 0.004 6 0 "[ . 1 . 2]" 1 1228 1 56 LYS H 1 56 LYS HB2 3.800 . 4.300 2.449 2.420 2.537 . 0 0 "[ . 1 . 2]" 1 1229 2 56 LYS H 2 56 LYS HB2 3.800 . 4.300 2.449 2.420 2.538 . 0 0 "[ . 1 . 2]" 1 1230 1 56 LYS HA 1 56 LYS QD 4.500 . 5.000 3.802 2.110 3.904 . 0 0 "[ . 1 . 2]" 1 1231 2 56 LYS HA 2 56 LYS QD 4.500 . 5.000 3.802 2.110 3.904 . 0 0 "[ . 1 . 2]" 1 1232 1 56 LYS HA 1 56 LYS HD3 5.200 . 5.700 4.158 2.182 4.634 . 0 0 "[ . 1 . 2]" 1 1233 2 56 LYS HA 2 56 LYS HD3 5.200 . 5.700 4.158 2.182 4.633 . 0 0 "[ . 1 . 2]" 1 1234 1 56 LYS HA 1 56 LYS HD2 5.200 . 5.700 4.444 2.800 4.589 . 0 0 "[ . 1 . 2]" 1 1235 2 56 LYS HA 2 56 LYS HD2 5.200 . 5.700 4.444 2.800 4.589 . 0 0 "[ . 1 . 2]" 1 1236 1 56 LYS HB3 1 56 LYS QE 4.500 . 5.000 3.928 2.774 4.197 . 0 0 "[ . 1 . 2]" 1 1237 2 56 LYS HB3 2 56 LYS QE 4.500 . 5.000 3.928 2.773 4.198 . 0 0 "[ . 1 . 2]" 1 1238 1 56 LYS HA 1 56 LYS QG 3.800 . 4.300 2.325 2.245 2.924 . 0 0 "[ . 1 . 2]" 1 1239 2 56 LYS HA 2 56 LYS QG 3.800 . 4.300 2.325 2.247 2.925 . 0 0 "[ . 1 . 2]" 1 1240 1 56 LYS H 1 56 LYS QG 4.500 . 5.000 2.157 1.990 2.227 . 0 0 "[ . 1 . 2]" 1 1241 2 56 LYS H 2 56 LYS QG 4.500 . 5.000 2.158 1.990 2.229 . 0 0 "[ . 1 . 2]" 1 1242 1 56 LYS HA 1 57 VAL HA 4.500 . 5.000 4.711 4.678 4.776 . 0 0 "[ . 1 . 2]" 1 1243 2 56 LYS HA 2 57 VAL HA 4.500 . 5.000 4.712 4.678 4.776 . 0 0 "[ . 1 . 2]" 1 1244 1 56 LYS H 1 57 VAL MG1 5.200 . 5.700 4.053 3.834 4.185 . 0 0 "[ . 1 . 2]" 1 1245 2 56 LYS H 2 57 VAL MG1 4.500 . 5.000 4.054 3.834 4.184 . 0 0 "[ . 1 . 2]" 1 1246 1 56 LYS H 1 57 VAL MG2 5.200 . 5.700 4.459 3.899 5.801 0.101 6 0 "[ . 1 . 2]" 1 1247 2 56 LYS H 2 57 VAL MG2 5.200 . 5.700 4.459 3.899 5.800 0.100 6 0 "[ . 1 . 2]" 1 1248 1 56 LYS HB2 1 57 VAL H 3.800 . 4.300 2.654 2.458 2.780 . 0 0 "[ . 1 . 2]" 1 1249 2 56 LYS HB2 2 57 VAL H 3.800 . 4.300 2.654 2.461 2.781 . 0 0 "[ . 1 . 2]" 1 1250 1 56 LYS QG 1 57 VAL H 5.200 . 5.700 4.089 3.968 4.160 . 0 0 "[ . 1 . 2]" 1 1251 2 56 LYS QG 2 57 VAL H 5.200 . 5.700 4.089 3.970 4.161 . 0 0 "[ . 1 . 2]" 1 1252 1 56 LYS H 1 57 VAL H 3.800 . 4.300 2.742 2.582 2.811 . 0 0 "[ . 1 . 2]" 1 1253 2 56 LYS H 2 57 VAL H 3.800 . 4.300 2.742 2.582 2.813 . 0 0 "[ . 1 . 2]" 1 1254 1 57 VAL H 1 57 VAL HB 3.800 . 4.300 3.371 2.257 3.660 . 0 0 "[ . 1 . 2]" 1 1255 2 57 VAL H 2 57 VAL HB 3.800 . 4.300 3.371 2.258 3.660 . 0 0 "[ . 1 . 2]" 1 1256 1 57 VAL H 1 58 MET H 3.800 . 4.300 2.649 2.502 2.760 . 0 0 "[ . 1 . 2]" 1 1257 2 57 VAL H 2 58 MET H 3.800 . 4.300 2.649 2.502 2.760 . 0 0 "[ . 1 . 2]" 1 1258 1 57 VAL HA 1 60 GLU QB 4.500 . 5.000 3.196 2.739 3.534 . 0 0 "[ . 1 . 2]" 1 1259 2 57 VAL HA 2 60 GLU QB 4.500 . 5.000 3.196 2.739 3.534 . 0 0 "[ . 1 . 2]" 1 1260 1 57 VAL HA 1 60 GLU QG 4.500 . 5.000 3.973 2.842 5.010 0.010 10 0 "[ . 1 . 2]" 1 1261 2 57 VAL HA 2 60 GLU QG 4.500 . 5.000 3.973 2.843 5.010 0.010 10 0 "[ . 1 . 2]" 1 1262 1 57 VAL HA 1 60 GLU H 4.500 . 5.000 3.405 3.180 3.700 . 0 0 "[ . 1 . 2]" 1 1263 2 57 VAL HA 2 60 GLU H 4.500 . 5.000 3.405 3.179 3.703 . 0 0 "[ . 1 . 2]" 1 1264 1 58 MET QB 1 59 LYS H 3.800 . 4.300 2.605 2.344 2.716 . 0 0 "[ . 1 . 2]" 1 1265 2 58 MET QB 2 59 LYS H 3.800 . 4.300 2.605 2.344 2.717 . 0 0 "[ . 1 . 2]" 1 1266 1 58 MET H 1 59 LYS H 3.800 . 4.300 2.805 2.750 2.869 . 0 0 "[ . 1 . 2]" 1 1267 2 58 MET H 2 59 LYS H 3.800 . 4.300 2.806 2.749 2.870 . 0 0 "[ . 1 . 2]" 1 1268 1 58 MET H 1 60 GLU H 4.500 . 5.000 4.409 4.157 4.565 . 0 0 "[ . 1 . 2]" 1 1269 2 58 MET H 2 60 GLU H 4.500 . 5.000 4.409 4.156 4.566 . 0 0 "[ . 1 . 2]" 1 1270 1 58 MET HA 1 61 LEU QB 4.500 . 5.000 2.857 2.506 3.831 . 0 0 "[ . 1 . 2]" 1 1271 2 58 MET HA 2 61 LEU QB 4.500 . 5.000 2.857 2.506 3.829 . 0 0 "[ . 1 . 2]" 1 1272 1 58 MET HA 1 61 LEU QD 4.500 . 5.000 2.866 2.021 3.420 . 0 0 "[ . 1 . 2]" 1 1273 2 58 MET HA 2 61 LEU QD 4.500 . 5.000 2.866 2.020 3.420 . 0 0 "[ . 1 . 2]" 1 1274 1 58 MET HA 1 61 LEU MD1 4.500 . 5.000 3.072 2.228 4.968 . 0 0 "[ . 1 . 2]" 1 1275 2 58 MET HA 2 61 LEU MD1 4.500 . 5.000 3.072 2.227 4.968 . 0 0 "[ . 1 . 2]" 1 1276 1 58 MET HA 1 61 LEU MD2 4.500 . 5.000 4.405 2.028 5.011 0.011 2 0 "[ . 1 . 2]" 1 1277 2 58 MET HA 2 61 LEU MD2 4.500 . 5.000 4.405 2.026 5.012 0.012 2 0 "[ . 1 . 2]" 1 1278 1 58 MET HA 1 62 ASP QB 4.500 . 5.000 4.475 3.996 5.003 0.003 18 0 "[ . 1 . 2]" 1 1279 2 58 MET HA 2 62 ASP QB 4.500 . 5.000 4.475 3.996 5.004 0.004 18 0 "[ . 1 . 2]" 1 1280 1 58 MET ME 1 67 GLY QA 3.800 . 4.300 3.496 2.400 3.849 . 0 0 "[ . 1 . 2]" 1 1281 2 58 MET ME 2 67 GLY QA 3.800 . 4.300 3.496 2.400 3.849 . 0 0 "[ . 1 . 2]" 1 1282 1 58 MET ME 1 67 GLY HA3 4.500 . 5.000 4.725 3.645 5.062 0.062 20 0 "[ . 1 . 2]" 1 1283 2 58 MET ME 2 67 GLY HA3 4.500 . 5.000 4.724 3.645 5.061 0.061 20 0 "[ . 1 . 2]" 1 1284 1 58 MET ME 1 67 GLY HA2 4.500 . 5.000 3.605 2.434 3.999 . 0 0 "[ . 1 . 2]" 1 1285 2 58 MET ME 2 67 GLY HA2 4.500 . 5.000 3.605 2.435 3.999 . 0 0 "[ . 1 . 2]" 1 1286 1 58 MET ME 1 68 GLU HA 3.800 . 4.300 3.948 3.217 4.308 0.008 20 0 "[ . 1 . 2]" 1 1287 2 58 MET ME 2 68 GLU HA 3.800 . 4.300 3.948 3.219 4.308 0.008 20 0 "[ . 1 . 2]" 1 1288 1 58 MET ME 1 69 VAL HA 4.500 . 5.000 4.136 3.631 4.508 . 0 0 "[ . 1 . 2]" 1 1289 2 58 MET ME 2 69 VAL HA 4.500 . 5.000 4.135 3.632 4.508 . 0 0 "[ . 1 . 2]" 1 1290 1 58 MET HA 1 69 VAL QG 4.500 . 5.000 4.563 3.953 5.011 0.011 5 0 "[ . 1 . 2]" 1 1291 2 58 MET HA 2 69 VAL QG 4.500 . 5.000 4.563 3.952 5.010 0.010 5 0 "[ . 1 . 2]" 1 1292 1 58 MET QB 1 69 VAL QG 4.500 . 5.000 4.233 3.627 4.714 . 0 0 "[ . 1 . 2]" 1 1293 2 58 MET QB 2 69 VAL QG 4.500 . 5.000 4.232 3.627 4.713 . 0 0 "[ . 1 . 2]" 1 1294 1 58 MET ME 1 69 VAL QG 2.800 . 3.300 1.852 1.739 2.131 0.061 12 0 "[ . 1 . 2]" 1 1295 2 58 MET ME 2 69 VAL QG 2.800 . 3.300 1.852 1.739 2.130 0.061 12 0 "[ . 1 . 2]" 1 1296 1 58 MET ME 1 69 VAL H 4.500 . 5.000 4.147 3.745 4.543 . 0 0 "[ . 1 . 2]" 1 1297 2 58 MET ME 2 69 VAL H 4.500 . 5.000 4.147 3.745 4.543 . 0 0 "[ . 1 . 2]" 1 1298 1 59 LYS H 1 59 LYS QB 2.800 . 3.300 2.344 2.243 2.445 . 0 0 "[ . 1 . 2]" 1 1299 2 59 LYS H 2 59 LYS QB 2.800 . 3.300 2.344 2.243 2.444 . 0 0 "[ . 1 . 2]" 1 1300 1 59 LYS HA 1 59 LYS QD 3.800 . 4.300 3.757 2.170 3.978 . 0 0 "[ . 1 . 2]" 1 1301 2 59 LYS HA 2 59 LYS QD 3.800 . 4.300 3.757 2.171 3.978 . 0 0 "[ . 1 . 2]" 1 1302 1 59 LYS HA 1 59 LYS QG 3.800 . 4.300 2.373 2.298 2.779 . 0 0 "[ . 1 . 2]" 1 1303 2 59 LYS HA 2 59 LYS QG 3.800 . 4.300 2.373 2.296 2.779 . 0 0 "[ . 1 . 2]" 1 1304 1 59 LYS H 1 59 LYS QG 3.800 . 4.300 3.047 2.104 4.048 . 0 0 "[ . 1 . 2]" 1 1305 2 59 LYS H 2 59 LYS QG 3.800 . 4.300 3.047 2.103 4.048 . 0 0 "[ . 1 . 2]" 1 1306 1 59 LYS QB 1 60 GLU QG 5.200 . 5.700 3.911 3.044 5.591 . 0 0 "[ . 1 . 2]" 1 1307 2 59 LYS QB 2 60 GLU QG 5.200 . 5.700 3.911 3.044 5.590 . 0 0 "[ . 1 . 2]" 1 1308 1 59 LYS QB 1 60 GLU H 3.800 . 4.300 2.549 2.465 2.650 . 0 0 "[ . 1 . 2]" 1 1309 2 59 LYS QB 2 60 GLU H 3.800 . 4.300 2.549 2.466 2.650 . 0 0 "[ . 1 . 2]" 1 1310 1 59 LYS QG 1 60 GLU H 4.500 . 5.000 3.851 3.581 4.108 . 0 0 "[ . 1 . 2]" 1 1311 2 59 LYS QG 2 60 GLU H 4.500 . 5.000 3.851 3.582 4.107 . 0 0 "[ . 1 . 2]" 1 1312 1 59 LYS H 1 61 LEU H 4.500 . 5.000 4.266 4.143 4.419 . 0 0 "[ . 1 . 2]" 1 1313 2 59 LYS H 2 61 LEU H 4.500 . 5.000 4.266 4.143 4.419 . 0 0 "[ . 1 . 2]" 1 1314 1 60 GLU H 1 60 GLU QG 4.500 . 5.000 2.820 2.173 4.047 . 0 0 "[ . 1 . 2]" 1 1315 2 60 GLU H 2 60 GLU QG 4.500 . 5.000 2.820 2.173 4.047 . 0 0 "[ . 1 . 2]" 1 1316 1 60 GLU H 1 61 LEU HA 5.200 . 5.700 5.286 5.237 5.341 . 0 0 "[ . 1 . 2]" 1 1317 2 60 GLU H 2 61 LEU HA 5.200 . 5.700 5.286 5.239 5.343 . 0 0 "[ . 1 . 2]" 1 1318 1 60 GLU QB 1 61 LEU QD 3.800 . 4.300 2.989 2.226 4.313 0.013 19 0 "[ . 1 . 2]" 1 1319 2 60 GLU QB 2 61 LEU QD 3.800 . 4.300 2.988 2.226 4.312 0.012 19 0 "[ . 1 . 2]" 1 1320 1 60 GLU QG 1 61 LEU QD 5.200 . 5.700 4.159 3.128 5.116 . 0 0 "[ . 1 . 2]" 1 1321 2 60 GLU QG 2 61 LEU QD 5.200 . 5.700 4.160 3.129 5.117 . 0 0 "[ . 1 . 2]" 1 1322 1 60 GLU H 1 61 LEU QD 4.500 . 5.000 4.267 3.415 4.668 . 0 0 "[ . 1 . 2]" 1 1323 2 60 GLU H 2 61 LEU QD 4.500 . 5.000 4.266 3.415 4.668 . 0 0 "[ . 1 . 2]" 1 1324 1 60 GLU QB 1 61 LEU H 3.800 . 4.300 2.567 2.484 2.625 . 0 0 "[ . 1 . 2]" 1 1325 2 60 GLU QB 2 61 LEU H 3.800 . 4.300 2.567 2.483 2.626 . 0 0 "[ . 1 . 2]" 1 1326 1 60 GLU H 1 61 LEU H 3.800 . 4.300 2.678 2.608 2.765 . 0 0 "[ . 1 . 2]" 1 1327 2 60 GLU H 2 61 LEU H 3.800 . 4.300 2.678 2.609 2.765 . 0 0 "[ . 1 . 2]" 1 1328 1 60 GLU HA 1 62 ASP H 5.200 . 5.700 4.477 4.369 4.723 . 0 0 "[ . 1 . 2]" 1 1329 2 60 GLU HA 2 62 ASP H 5.200 . 5.700 4.477 4.369 4.722 . 0 0 "[ . 1 . 2]" 1 1330 1 60 GLU H 1 62 ASP H 4.500 . 5.000 4.164 4.045 4.252 . 0 0 "[ . 1 . 2]" 1 1331 2 60 GLU H 2 62 ASP H 4.500 . 5.000 4.164 4.046 4.251 . 0 0 "[ . 1 . 2]" 1 1332 1 61 LEU HA 1 61 LEU QD 3.800 . 4.300 2.269 1.949 3.194 . 0 0 "[ . 1 . 2]" 1 1333 2 61 LEU HA 2 61 LEU QD 3.800 . 4.300 2.269 1.949 3.195 . 0 0 "[ . 1 . 2]" 1 1334 1 61 LEU H 1 61 LEU QD 3.800 . 4.300 2.629 1.792 3.023 0.008 14 0 "[ . 1 . 2]" 1 1335 2 61 LEU H 2 61 LEU QD 3.800 . 4.300 2.629 1.791 3.023 0.009 14 0 "[ . 1 . 2]" 1 1336 1 61 LEU HA 1 61 LEU MD1 4.500 . 5.000 3.449 2.233 3.785 . 0 0 "[ . 1 . 2]" 1 1337 2 61 LEU HA 2 61 LEU MD1 4.500 . 5.000 3.449 2.233 3.785 . 0 0 "[ . 1 . 2]" 1 1338 1 61 LEU HA 1 61 LEU MD2 4.500 . 5.000 2.535 2.025 4.107 . 0 0 "[ . 1 . 2]" 1 1339 2 61 LEU HA 2 61 LEU MD2 4.500 . 5.000 2.535 2.024 4.106 . 0 0 "[ . 1 . 2]" 1 1340 1 61 LEU H 1 61 LEU HG 3.800 . 4.300 2.576 2.069 3.597 . 0 0 "[ . 1 . 2]" 1 1341 2 61 LEU H 2 61 LEU HG 3.800 . 4.300 2.576 2.069 3.597 . 0 0 "[ . 1 . 2]" 1 1342 1 61 LEU QB 1 62 ASP H 4.500 . 5.000 2.719 2.537 3.518 . 0 0 "[ . 1 . 2]" 1 1343 2 61 LEU QB 2 62 ASP H 4.500 . 5.000 2.719 2.536 3.518 . 0 0 "[ . 1 . 2]" 1 1344 1 61 LEU HB3 1 62 ASP H 4.500 . 5.000 3.718 3.564 3.818 . 0 0 "[ . 1 . 2]" 1 1345 2 61 LEU HB3 2 62 ASP H 4.500 . 5.000 3.718 3.564 3.817 . 0 0 "[ . 1 . 2]" 1 1346 1 61 LEU HB2 1 62 ASP H 4.500 . 5.000 2.817 2.583 4.121 . 0 0 "[ . 1 . 2]" 1 1347 2 61 LEU HB2 2 62 ASP H 4.500 . 5.000 2.817 2.583 4.121 . 0 0 "[ . 1 . 2]" 1 1348 1 61 LEU QD 1 62 ASP H 4.500 . 5.000 3.959 2.988 4.151 . 0 0 "[ . 1 . 2]" 1 1349 2 61 LEU QD 2 62 ASP H 4.500 . 5.000 3.959 2.988 4.152 . 0 0 "[ . 1 . 2]" 1 1350 1 61 LEU MD1 1 62 ASP H 5.200 . 5.700 4.419 3.178 4.833 . 0 0 "[ . 1 . 2]" 1 1351 2 61 LEU MD1 2 62 ASP H 5.200 . 5.700 4.419 3.179 4.833 . 0 0 "[ . 1 . 2]" 1 1352 1 61 LEU MD2 1 62 ASP H 5.200 . 5.700 4.572 3.633 4.948 . 0 0 "[ . 1 . 2]" 1 1353 2 61 LEU MD2 2 62 ASP H 5.200 . 5.700 4.572 3.632 4.948 . 0 0 "[ . 1 . 2]" 1 1354 1 61 LEU QD 1 74 TYR HA 4.500 . 5.000 4.652 3.813 5.016 0.016 16 0 "[ . 1 . 2]" 1 1355 2 61 LEU QD 2 74 TYR HA 4.500 . 5.000 4.652 3.813 5.017 0.017 16 0 "[ . 1 . 2]" 1 1356 1 61 LEU QD 1 76 VAL HA 5.200 . 5.700 5.130 4.829 5.714 0.014 16 0 "[ . 1 . 2]" 1 1357 2 61 LEU QD 2 76 VAL HA 5.200 . 5.700 5.130 4.829 5.714 0.014 16 0 "[ . 1 . 2]" 1 1358 1 61 LEU QD 1 76 VAL HB 5.200 . 5.700 3.943 3.450 4.903 . 0 0 "[ . 1 . 2]" 1 1359 2 61 LEU QD 2 76 VAL HB 5.200 . 5.700 3.943 3.449 4.903 . 0 0 "[ . 1 . 2]" 1 1360 1 61 LEU MD1 1 77 LEU HA 4.500 . 5.000 2.950 2.016 4.862 . 0 0 "[ . 1 . 2]" 1 1361 2 61 LEU MD1 2 77 LEU HA 4.500 . 5.000 2.950 2.016 4.862 . 0 0 "[ . 1 . 2]" 1 1362 1 61 LEU MD2 1 77 LEU HA 4.500 . 5.000 2.956 2.008 3.795 . 0 0 "[ . 1 . 2]" 1 1363 2 61 LEU MD2 2 77 LEU HA 4.500 . 5.000 2.956 2.009 3.795 . 0 0 "[ . 1 . 2]" 1 1364 1 61 LEU QD 1 77 LEU QB 4.500 . 5.000 2.402 2.099 2.771 . 0 0 "[ . 1 . 2]" 1 1365 2 61 LEU QD 2 77 LEU QB 4.500 . 5.000 2.402 2.100 2.771 . 0 0 "[ . 1 . 2]" 1 1366 1 61 LEU QD 1 77 LEU HG 4.500 . 5.000 2.567 1.969 3.931 . 0 0 "[ . 1 . 2]" 1 1367 2 61 LEU QD 2 77 LEU HG 4.500 . 5.000 2.568 1.970 3.931 . 0 0 "[ . 1 . 2]" 1 1368 1 61 LEU QD 1 77 LEU H 4.500 . 5.000 3.582 3.053 3.963 . 0 0 "[ . 1 . 2]" 1 1369 2 61 LEU QD 2 77 LEU H 4.500 . 5.000 3.582 3.052 3.963 . 0 0 "[ . 1 . 2]" 1 1370 1 62 ASP H 1 62 ASP HB3 3.800 . 4.300 2.700 2.508 3.661 . 0 0 "[ . 1 . 2]" 1 1371 2 62 ASP H 2 62 ASP HB3 3.800 . 4.300 2.699 2.508 3.661 . 0 0 "[ . 1 . 2]" 1 1372 1 62 ASP H 1 62 ASP HB2 3.800 . 4.300 2.626 2.396 2.708 . 0 0 "[ . 1 . 2]" 1 1373 2 62 ASP H 2 62 ASP HB2 3.800 . 4.300 2.626 2.396 2.708 . 0 0 "[ . 1 . 2]" 1 1374 1 62 ASP HA 1 63 GLU H 3.800 . 4.300 2.209 2.131 2.466 . 0 0 "[ . 1 . 2]" 1 1375 2 62 ASP HA 2 63 GLU H 3.800 . 4.300 2.209 2.132 2.465 . 0 0 "[ . 1 . 2]" 1 1376 1 62 ASP QB 1 64 ASN H 5.200 . 5.700 4.113 3.684 4.365 . 0 0 "[ . 1 . 2]" 1 1377 2 62 ASP QB 2 64 ASN H 5.200 . 5.700 4.113 3.684 4.366 . 0 0 "[ . 1 . 2]" 1 1378 1 62 ASP HA 1 65 GLY H 4.500 . 5.000 4.170 3.418 4.538 . 0 0 "[ . 1 . 2]" 1 1379 2 62 ASP HA 2 65 GLY H 4.500 . 5.000 4.171 3.418 4.539 . 0 0 "[ . 1 . 2]" 1 1380 1 62 ASP HA 1 69 VAL QG 5.200 . 5.700 4.749 4.161 5.711 0.011 20 0 "[ . 1 . 2]" 1 1381 2 62 ASP HA 2 69 VAL QG 5.200 . 5.700 4.749 4.161 5.710 0.010 20 0 "[ . 1 . 2]" 1 1382 1 62 ASP QB 1 69 VAL QG 5.200 . 5.700 3.653 2.627 4.858 . 0 0 "[ . 1 . 2]" 1 1383 2 62 ASP QB 2 69 VAL QG 5.200 . 5.700 3.653 2.626 4.857 . 0 0 "[ . 1 . 2]" 1 1384 1 63 GLU H 1 63 GLU HB3 3.800 . 4.300 3.385 2.559 3.599 . 0 0 "[ . 1 . 2]" 1 1385 2 63 GLU H 2 63 GLU HB3 3.800 . 4.300 3.385 2.559 3.600 . 0 0 "[ . 1 . 2]" 1 1386 1 63 GLU H 1 63 GLU HB2 3.800 . 4.300 2.454 2.427 2.512 . 0 0 "[ . 1 . 2]" 1 1387 2 63 GLU H 2 63 GLU HB2 3.800 . 4.300 2.454 2.427 2.514 . 0 0 "[ . 1 . 2]" 1 1388 1 63 GLU H 1 63 GLU QG 4.500 . 5.000 2.638 2.160 3.954 . 0 0 "[ . 1 . 2]" 1 1389 2 63 GLU H 2 63 GLU QG 4.500 . 5.000 2.638 2.160 3.955 . 0 0 "[ . 1 . 2]" 1 1390 1 63 GLU QB 1 64 ASN QB 4.500 . 5.000 4.499 3.684 4.719 . 0 0 "[ . 1 . 2]" 1 1391 2 63 GLU QB 2 64 ASN QB 4.500 . 5.000 4.498 3.684 4.720 . 0 0 "[ . 1 . 2]" 1 1392 1 63 GLU H 1 64 ASN QB 4.500 . 5.000 4.588 4.523 4.826 . 0 0 "[ . 1 . 2]" 1 1393 2 63 GLU H 2 64 ASN QB 4.500 . 5.000 4.588 4.523 4.827 . 0 0 "[ . 1 . 2]" 1 1394 1 63 GLU QB 1 64 ASN H 4.500 . 5.000 2.673 2.573 2.784 . 0 0 "[ . 1 . 2]" 1 1395 2 63 GLU QB 2 64 ASN H 4.500 . 5.000 2.673 2.574 2.784 . 0 0 "[ . 1 . 2]" 1 1396 1 63 GLU HB3 1 64 ASN H 4.500 . 5.000 3.537 2.617 3.842 . 0 0 "[ . 1 . 2]" 1 1397 2 63 GLU HB3 2 64 ASN H 4.500 . 5.000 3.537 2.617 3.843 . 0 0 "[ . 1 . 2]" 1 1398 1 63 GLU HB2 1 64 ASN H 4.500 . 5.000 2.972 2.702 3.907 . 0 0 "[ . 1 . 2]" 1 1399 2 63 GLU HB2 2 64 ASN H 4.500 . 5.000 2.972 2.699 3.908 . 0 0 "[ . 1 . 2]" 1 1400 1 63 GLU QG 1 64 ASN H 5.200 . 5.700 4.024 3.742 4.407 . 0 0 "[ . 1 . 2]" 1 1401 2 63 GLU QG 2 64 ASN H 5.200 . 5.700 4.024 3.743 4.407 . 0 0 "[ . 1 . 2]" 1 1402 1 63 GLU H 1 64 ASN H 3.800 . 4.300 2.496 2.387 2.640 . 0 0 "[ . 1 . 2]" 1 1403 2 63 GLU H 2 64 ASN H 3.800 . 4.300 2.496 2.388 2.641 . 0 0 "[ . 1 . 2]" 1 1404 1 63 GLU HB3 1 65 GLY H 5.200 . 5.700 5.408 4.802 5.603 . 0 0 "[ . 1 . 2]" 1 1405 2 63 GLU HB3 2 65 GLY H 5.200 . 5.700 5.407 4.801 5.604 . 0 0 "[ . 1 . 2]" 1 1406 1 63 GLU HB2 1 65 GLY H 5.200 . 5.700 5.245 4.965 5.725 0.025 17 0 "[ . 1 . 2]" 1 1407 2 63 GLU HB2 2 65 GLY H 5.200 . 5.700 5.244 4.966 5.727 0.027 17 0 "[ . 1 . 2]" 1 1408 1 63 GLU H 1 65 GLY H 4.500 . 5.000 4.198 3.960 4.394 . 0 0 "[ . 1 . 2]" 1 1409 2 63 GLU H 2 65 GLY H 4.500 . 5.000 4.198 3.958 4.395 . 0 0 "[ . 1 . 2]" 1 1410 1 64 ASN H 1 65 GLY QA 4.500 . 5.000 4.569 4.361 4.633 . 0 0 "[ . 1 . 2]" 1 1411 2 64 ASN H 2 65 GLY QA 4.500 . 5.000 4.569 4.360 4.632 . 0 0 "[ . 1 . 2]" 1 1412 1 64 ASN H 1 65 GLY HA3 5.200 . 5.700 5.273 5.155 5.321 . 0 0 "[ . 1 . 2]" 1 1413 2 64 ASN H 2 65 GLY HA3 5.200 . 5.700 5.272 5.154 5.319 . 0 0 "[ . 1 . 2]" 1 1414 1 64 ASN H 1 65 GLY HA2 5.200 . 5.700 5.009 4.705 5.097 . 0 0 "[ . 1 . 2]" 1 1415 2 64 ASN H 2 65 GLY HA2 5.200 . 5.700 5.008 4.705 5.097 . 0 0 "[ . 1 . 2]" 1 1416 1 64 ASN H 1 65 GLY H 3.800 . 4.300 2.730 2.586 2.817 . 0 0 "[ . 1 . 2]" 1 1417 2 64 ASN H 2 65 GLY H 3.800 . 4.300 2.730 2.586 2.817 . 0 0 "[ . 1 . 2]" 1 1418 1 65 GLY H 1 66 ASP H 3.800 . 4.300 2.348 2.200 2.929 . 0 0 "[ . 1 . 2]" 1 1419 2 65 GLY H 2 66 ASP H 3.800 . 4.300 2.348 2.200 2.930 . 0 0 "[ . 1 . 2]" 1 1420 1 65 GLY QA 1 67 GLY H 4.500 . 5.000 3.584 3.161 3.853 . 0 0 "[ . 1 . 2]" 1 1421 2 65 GLY QA 2 67 GLY H 4.500 . 5.000 3.584 3.161 3.851 . 0 0 "[ . 1 . 2]" 1 1422 1 65 GLY H 1 67 GLY H 4.500 . 5.000 3.931 3.611 5.002 0.002 20 0 "[ . 1 . 2]" 1 1423 2 65 GLY H 2 67 GLY H 4.500 . 5.000 3.931 3.611 5.003 0.003 20 0 "[ . 1 . 2]" 1 1424 1 66 ASP H 1 67 GLY H 3.800 . 4.300 2.720 2.577 3.009 . 0 0 "[ . 1 . 2]" 1 1425 2 66 ASP H 2 67 GLY H 3.800 . 4.300 2.720 2.576 3.009 . 0 0 "[ . 1 . 2]" 1 1426 1 66 ASP H 1 68 GLU H 4.500 . 5.000 4.058 3.502 4.686 . 0 0 "[ . 1 . 2]" 1 1427 2 66 ASP H 2 68 GLU H 4.500 . 5.000 4.058 3.502 4.686 . 0 0 "[ . 1 . 2]" 1 1428 1 67 GLY H 1 68 GLU H 3.800 . 4.300 2.341 2.246 2.804 . 0 0 "[ . 1 . 2]" 1 1429 2 67 GLY H 2 68 GLU H 3.800 . 4.300 2.341 2.245 2.804 . 0 0 "[ . 1 . 2]" 1 1430 1 68 GLU H 1 68 GLU HB3 3.800 . 4.300 3.498 2.572 3.739 . 0 0 "[ . 1 . 2]" 1 1431 2 68 GLU H 2 68 GLU HB3 3.800 . 4.300 3.498 2.572 3.739 . 0 0 "[ . 1 . 2]" 1 1432 1 68 GLU H 1 68 GLU HB2 3.800 . 4.300 2.622 2.531 3.050 . 0 0 "[ . 1 . 2]" 1 1433 2 68 GLU H 2 68 GLU HB2 3.800 . 4.300 2.623 2.530 3.049 . 0 0 "[ . 1 . 2]" 1 1434 1 68 GLU HA 1 69 VAL QG 4.500 . 5.000 3.214 3.022 3.421 . 0 0 "[ . 1 . 2]" 1 1435 2 68 GLU HA 2 69 VAL QG 4.500 . 5.000 3.214 3.021 3.422 . 0 0 "[ . 1 . 2]" 1 1436 1 68 GLU QB 1 69 VAL H 4.500 . 5.000 2.847 2.560 3.604 . 0 0 "[ . 1 . 2]" 1 1437 2 68 GLU QB 2 69 VAL H 4.500 . 5.000 2.847 2.560 3.603 . 0 0 "[ . 1 . 2]" 1 1438 1 68 GLU H 1 69 VAL H 4.500 . 5.000 4.510 4.450 4.542 . 0 0 "[ . 1 . 2]" 1 1439 2 68 GLU H 2 69 VAL H 4.500 . 5.000 4.510 4.450 4.542 . 0 0 "[ . 1 . 2]" 1 1440 1 69 VAL H 1 69 VAL QG 3.800 . 4.300 2.278 1.854 2.585 . 0 0 "[ . 1 . 2]" 1 1441 2 69 VAL H 2 69 VAL QG 3.800 . 4.300 2.278 1.854 2.585 . 0 0 "[ . 1 . 2]" 1 1442 1 69 VAL H 1 69 VAL MG1 4.500 . 5.000 3.427 2.582 3.847 . 0 0 "[ . 1 . 2]" 1 1443 2 69 VAL H 2 69 VAL MG1 4.500 . 5.000 3.427 2.582 3.848 . 0 0 "[ . 1 . 2]" 1 1444 1 69 VAL H 1 69 VAL MG2 4.500 . 5.000 2.316 1.885 2.628 . 0 0 "[ . 1 . 2]" 1 1445 2 69 VAL H 2 69 VAL MG2 4.500 . 5.000 2.316 1.886 2.628 . 0 0 "[ . 1 . 2]" 1 1446 1 69 VAL HA 1 70 ASP H 3.800 . 4.300 2.128 2.079 2.212 . 0 0 "[ . 1 . 2]" 1 1447 2 69 VAL HA 2 70 ASP H 3.800 . 4.300 2.128 2.079 2.212 . 0 0 "[ . 1 . 2]" 1 1448 1 69 VAL MG1 1 70 ASP H 4.500 . 5.000 2.941 2.442 3.860 . 0 0 "[ . 1 . 2]" 1 1449 2 69 VAL MG1 2 70 ASP H 4.500 . 5.000 2.941 2.443 3.859 . 0 0 "[ . 1 . 2]" 1 1450 1 69 VAL MG2 1 70 ASP H 4.500 . 5.000 3.840 3.479 4.012 . 0 0 "[ . 1 . 2]" 1 1451 2 69 VAL MG2 2 70 ASP H 4.500 . 5.000 3.840 3.480 4.012 . 0 0 "[ . 1 . 2]" 1 1452 1 69 VAL QG 1 71 PHE HA 5.200 . 5.700 4.339 4.021 4.893 . 0 0 "[ . 1 . 2]" 1 1453 2 69 VAL QG 2 71 PHE HA 5.200 . 5.700 4.340 4.022 4.894 . 0 0 "[ . 1 . 2]" 1 1454 1 69 VAL HA 1 73 GLU QB 4.500 . 5.000 3.032 2.779 3.366 . 0 0 "[ . 1 . 2]" 1 1455 2 69 VAL HA 2 73 GLU QB 4.500 . 5.000 3.031 2.778 3.366 . 0 0 "[ . 1 . 2]" 1 1456 1 69 VAL QG 1 73 GLU QB 3.800 . 4.300 2.304 1.915 2.921 . 0 0 "[ . 1 . 2]" 1 1457 2 69 VAL QG 2 73 GLU QB 3.800 . 4.300 2.304 1.915 2.921 . 0 0 "[ . 1 . 2]" 1 1458 1 69 VAL HA 1 73 GLU HB3 5.200 . 5.700 3.901 3.515 4.276 . 0 0 "[ . 1 . 2]" 1 1459 2 69 VAL HA 2 73 GLU HB3 5.200 . 5.700 3.901 3.515 4.276 . 0 0 "[ . 1 . 2]" 1 1460 1 69 VAL HA 1 73 GLU HB2 5.200 . 5.700 3.160 2.907 3.522 . 0 0 "[ . 1 . 2]" 1 1461 2 69 VAL HA 2 73 GLU HB2 5.200 . 5.700 3.160 2.908 3.523 . 0 0 "[ . 1 . 2]" 1 1462 1 69 VAL QG 1 73 GLU H 4.500 . 5.000 4.136 3.579 4.783 . 0 0 "[ . 1 . 2]" 1 1463 2 69 VAL QG 2 73 GLU H 4.500 . 5.000 4.136 3.579 4.783 . 0 0 "[ . 1 . 2]" 1 1464 1 69 VAL QG 1 74 TYR HA 3.800 . 4.300 3.261 2.537 3.915 . 0 0 "[ . 1 . 2]" 1 1465 2 69 VAL QG 2 74 TYR HA 3.800 . 4.300 3.261 2.536 3.915 . 0 0 "[ . 1 . 2]" 1 1466 1 69 VAL QG 1 74 TYR HB2 3.800 . 4.300 2.724 2.178 3.254 . 0 0 "[ . 1 . 2]" 1 1467 2 69 VAL QG 2 74 TYR HB2 3.800 . 4.300 2.724 2.177 3.254 . 0 0 "[ . 1 . 2]" 1 1468 1 69 VAL QG 1 74 TYR H 3.800 . 4.300 3.185 2.486 3.944 . 0 0 "[ . 1 . 2]" 1 1469 2 69 VAL QG 2 74 TYR H 3.800 . 4.300 3.185 2.487 3.944 . 0 0 "[ . 1 . 2]" 1 1470 1 69 VAL QG 1 75 VAL H 5.200 . 5.700 5.202 4.588 5.736 0.036 10 0 "[ . 1 . 2]" 1 1471 2 69 VAL QG 2 75 VAL H 5.200 . 5.700 5.201 4.587 5.737 0.037 10 0 "[ . 1 . 2]" 1 1472 1 70 ASP H 1 71 PHE HA 5.200 . 5.700 5.347 5.253 5.400 . 0 0 "[ . 1 . 2]" 1 1473 2 70 ASP H 2 71 PHE HA 5.200 . 5.700 5.348 5.255 5.401 . 0 0 "[ . 1 . 2]" 1 1474 1 70 ASP QB 1 71 PHE H 3.800 . 4.300 2.765 2.228 3.455 . 0 0 "[ . 1 . 2]" 1 1475 2 70 ASP QB 2 71 PHE H 3.800 . 4.300 2.765 2.228 3.456 . 0 0 "[ . 1 . 2]" 1 1476 1 70 ASP HA 1 72 GLN H 4.500 . 5.000 4.371 4.231 4.595 . 0 0 "[ . 1 . 2]" 1 1477 2 70 ASP HA 2 72 GLN H 4.500 . 5.000 4.372 4.232 4.596 . 0 0 "[ . 1 . 2]" 1 1478 1 70 ASP H 1 73 GLU HA 5.200 . 5.700 4.876 4.699 5.123 . 0 0 "[ . 1 . 2]" 1 1479 2 70 ASP H 2 73 GLU HA 5.200 . 5.700 4.876 4.698 5.125 . 0 0 "[ . 1 . 2]" 1 1480 1 70 ASP H 1 73 GLU H 4.500 . 5.000 3.271 3.028 3.520 . 0 0 "[ . 1 . 2]" 1 1481 2 70 ASP H 2 73 GLU H 4.500 . 5.000 3.271 3.030 3.520 . 0 0 "[ . 1 . 2]" 1 1482 1 71 PHE HA 1 71 PHE HD1 4.500 . 5.000 2.764 2.679 2.804 . 0 0 "[ . 1 . 2]" 1 1483 2 71 PHE HA 2 71 PHE HD1 4.500 . 5.000 2.760 2.669 2.802 . 0 0 "[ . 1 . 2]" 1 1484 1 71 PHE HD2 1 72 GLN H 4.500 . 5.000 3.555 3.510 3.655 . 0 0 "[ . 1 . 2]" 1 1485 2 71 PHE HD2 2 72 GLN H 4.500 . 5.000 3.556 3.513 3.657 . 0 0 "[ . 1 . 2]" 1 1486 1 71 PHE H 1 72 GLN H 4.500 . 5.000 2.831 2.780 2.866 . 0 0 "[ . 1 . 2]" 1 1487 2 71 PHE H 2 72 GLN H 4.500 . 5.000 2.831 2.781 2.867 . 0 0 "[ . 1 . 2]" 1 1488 1 71 PHE HA 1 73 GLU H 4.500 . 5.000 4.357 4.257 4.506 . 0 0 "[ . 1 . 2]" 1 1489 2 71 PHE HA 2 73 GLU H 4.500 . 5.000 4.357 4.258 4.505 . 0 0 "[ . 1 . 2]" 1 1490 1 71 PHE HE1 1 74 TYR HE2 4.500 . 5.000 4.735 4.309 5.002 0.002 16 0 "[ . 1 . 2]" 1 1491 2 71 PHE HE1 2 74 TYR HE2 4.500 . 5.000 4.726 4.294 5.002 0.002 16 0 "[ . 1 . 2]" 1 1492 1 71 PHE HA 1 74 TYR H 4.500 . 5.000 3.289 3.140 3.456 . 0 0 "[ . 1 . 2]" 1 1493 2 71 PHE HA 2 74 TYR H 4.500 . 5.000 3.290 3.141 3.457 . 0 0 "[ . 1 . 2]" 1 1494 1 71 PHE HE1 1 75 VAL QG 4.500 . 5.000 4.748 4.092 4.879 . 0 0 "[ . 1 . 2]" 1 1495 1 71 PHE HE2 1 75 VAL QG 4.500 . 5.000 3.154 2.250 3.506 . 0 0 "[ . 1 . 2]" 1 1496 2 71 PHE HE1 2 75 VAL MG2 4.500 . 5.000 4.895 4.127 5.023 0.023 14 0 "[ . 1 . 2]" 1 1497 2 71 PHE HE2 2 75 VAL MG2 4.500 . 5.000 3.344 2.257 3.755 . 0 0 "[ . 1 . 2]" 1 1498 1 72 GLN H 1 72 GLN HB3 3.800 . 4.300 2.624 2.605 2.652 . 0 0 "[ . 1 . 2]" 1 1499 2 72 GLN H 2 72 GLN HB3 3.800 . 4.300 2.624 2.605 2.651 . 0 0 "[ . 1 . 2]" 1 1500 1 72 GLN H 1 72 GLN HB2 3.800 . 4.300 2.471 2.450 2.491 . 0 0 "[ . 1 . 2]" 1 1501 2 72 GLN H 2 72 GLN HB2 3.800 . 4.300 2.470 2.449 2.489 . 0 0 "[ . 1 . 2]" 1 1502 1 72 GLN HA 1 73 GLU HA 4.500 . 5.000 4.750 4.714 4.785 . 0 0 "[ . 1 . 2]" 1 1503 2 72 GLN HA 2 73 GLU HA 4.500 . 5.000 4.750 4.714 4.782 . 0 0 "[ . 1 . 2]" 1 1504 1 72 GLN HG2 1 73 GLU HA 3.800 . 4.300 3.744 3.647 3.838 . 0 0 "[ . 1 . 2]" 1 1505 2 72 GLN HG2 2 73 GLU HA 3.800 . 4.300 3.743 3.647 3.838 . 0 0 "[ . 1 . 2]" 1 1506 1 72 GLN QB 1 73 GLU H 4.500 . 5.000 2.571 2.542 2.614 . 0 0 "[ . 1 . 2]" 1 1507 2 72 GLN QB 2 73 GLU H 4.500 . 5.000 2.571 2.542 2.613 . 0 0 "[ . 1 . 2]" 1 1508 1 72 GLN HG2 1 73 GLU H 4.500 . 5.000 3.846 3.779 3.913 . 0 0 "[ . 1 . 2]" 1 1509 2 72 GLN HG2 2 73 GLU H 4.500 . 5.000 3.846 3.777 3.912 . 0 0 "[ . 1 . 2]" 1 1510 1 72 GLN H 1 73 GLU H 3.800 . 4.300 2.762 2.713 2.829 . 0 0 "[ . 1 . 2]" 1 1511 2 72 GLN H 2 73 GLU H 3.800 . 4.300 2.762 2.712 2.829 . 0 0 "[ . 1 . 2]" 1 1512 1 72 GLN HA 1 75 VAL HB 4.500 . 5.000 3.559 2.549 3.866 . 0 0 "[ . 1 . 2]" 1 1513 2 72 GLN HA 2 75 VAL HB 4.500 . 5.000 3.556 2.548 3.865 . 0 0 "[ . 1 . 2]" 1 1514 1 72 GLN HA 1 75 VAL MG2 4.500 . 5.000 4.616 3.495 4.887 . 0 0 "[ . 1 . 2]" 1 1515 2 72 GLN HA 2 75 VAL MG2 4.500 . 5.000 4.614 3.493 4.886 . 0 0 "[ . 1 . 2]" 1 1516 1 72 GLN HA 1 75 VAL H 4.500 . 5.000 3.625 3.368 3.744 . 0 0 "[ . 1 . 2]" 1 1517 2 72 GLN HA 2 75 VAL H 4.500 . 5.000 3.626 3.367 3.746 . 0 0 "[ . 1 . 2]" 1 1518 1 72 GLN HA 1 76 VAL QG 4.500 . 5.000 3.925 3.837 4.055 . 0 0 "[ . 1 . 2]" 1 1519 1 72 GLN HG3 1 76 VAL QG 3.800 . 4.300 3.853 3.627 3.985 . 0 0 "[ . 1 . 2]" 1 1520 1 72 GLN HG2 1 76 VAL QG 4.500 . 5.000 3.158 2.836 3.290 . 0 0 "[ . 1 . 2]" 1 1521 2 72 GLN HA 2 76 VAL MG1 5.200 . 5.700 4.217 4.086 4.391 . 0 0 "[ . 1 . 2]" 1 1522 1 72 GLN HG3 1 76 VAL MG1 4.500 . 5.000 4.006 3.723 4.183 . 0 0 "[ . 1 . 2]" 1 1523 2 72 GLN HG3 2 76 VAL MG1 4.500 . 5.000 4.006 3.723 4.184 . 0 0 "[ . 1 . 2]" 1 1524 1 72 GLN HG3 1 76 VAL MG2 4.500 . 5.000 5.009 5.004 5.016 0.016 1 0 "[ . 1 . 2]" 1 1525 2 72 GLN HG3 2 76 VAL MG2 4.500 . 5.000 5.009 5.004 5.016 0.016 1 0 "[ . 1 . 2]" 1 1526 1 73 GLU HA 1 76 VAL MG1 4.500 . 5.000 3.690 3.535 3.795 . 0 0 "[ . 1 . 2]" 1 1527 2 73 GLU HA 2 76 VAL MG1 3.800 . 4.300 3.690 3.536 3.797 . 0 0 "[ . 1 . 2]" 1 1528 1 73 GLU HA 1 76 VAL MG2 4.500 . 5.000 2.150 2.091 2.180 . 0 0 "[ . 1 . 2]" 1 1529 2 73 GLU HA 2 76 VAL MG2 4.500 . 5.000 2.150 2.090 2.179 . 0 0 "[ . 1 . 2]" 1 1530 1 73 GLU HA 1 76 VAL H 4.500 . 5.000 3.771 3.557 3.846 . 0 0 "[ . 1 . 2]" 1 1531 2 73 GLU HA 2 76 VAL H 4.500 . 5.000 3.771 3.556 3.845 . 0 0 "[ . 1 . 2]" 1 1532 1 74 TYR H 1 74 TYR HB3 3.800 . 4.300 2.506 2.481 2.535 . 0 0 "[ . 1 . 2]" 1 1533 2 74 TYR H 2 74 TYR HB3 3.800 . 4.300 2.506 2.481 2.535 . 0 0 "[ . 1 . 2]" 1 1534 1 74 TYR HE2 1 75 VAL HA 4.500 . 5.000 4.229 4.123 4.558 . 0 0 "[ . 1 . 2]" 1 1535 2 74 TYR HE2 2 75 VAL HA 4.500 . 5.000 4.231 4.124 4.558 . 0 0 "[ . 1 . 2]" 1 1536 1 74 TYR HB3 1 75 VAL H 3.800 . 4.300 2.528 2.440 2.601 . 0 0 "[ . 1 . 2]" 1 1537 2 74 TYR HB3 2 75 VAL H 3.800 . 4.300 2.527 2.440 2.601 . 0 0 "[ . 1 . 2]" 1 1538 1 74 TYR H 1 75 VAL H 4.500 . 5.000 2.789 2.642 2.840 . 0 0 "[ . 1 . 2]" 1 1539 2 74 TYR H 2 75 VAL H 4.500 . 5.000 2.788 2.642 2.838 . 0 0 "[ . 1 . 2]" 1 1540 1 74 TYR HE2 1 78 VAL MG1 4.500 . 5.000 2.613 2.480 2.833 . 0 0 "[ . 1 . 2]" 1 1541 2 74 TYR HE2 2 78 VAL MG1 4.500 . 5.000 2.613 2.480 2.833 . 0 0 "[ . 1 . 2]" 1 1542 1 75 VAL H 1 75 VAL HB 3.800 . 4.300 2.303 2.081 2.363 . 0 0 "[ . 1 . 2]" 1 1543 2 75 VAL H 2 75 VAL HB 3.800 . 4.300 2.299 2.080 2.360 . 0 0 "[ . 1 . 2]" 1 1544 1 75 VAL H 1 75 VAL MG1 4.500 . 5.000 2.663 2.464 3.555 . 0 0 "[ . 1 . 2]" 1 1545 2 75 VAL H 2 75 VAL MG1 4.500 . 5.000 2.665 2.467 3.556 . 0 0 "[ . 1 . 2]" 1 1546 1 75 VAL H 1 75 VAL MG2 4.500 . 5.000 3.602 2.874 3.742 . 0 0 "[ . 1 . 2]" 1 1547 2 75 VAL H 2 75 VAL MG2 4.500 . 5.000 3.600 2.874 3.740 . 0 0 "[ . 1 . 2]" 1 1548 1 75 VAL HB 1 76 VAL H 4.500 . 5.000 3.663 2.947 3.814 . 0 0 "[ . 1 . 2]" 1 1549 2 75 VAL HB 2 76 VAL H 4.500 . 5.000 3.661 2.948 3.811 . 0 0 "[ . 1 . 2]" 1 1550 1 75 VAL QG 1 76 VAL H 3.800 . 4.300 1.915 1.794 2.622 0.006 10 0 "[ . 1 . 2]" 1 1551 2 75 VAL QG 2 76 VAL H 3.800 . 4.300 1.915 1.794 2.622 0.006 12 0 "[ . 1 . 2]" 1 1552 1 75 VAL MG1 1 76 VAL H 4.500 . 5.000 1.921 1.797 2.650 0.003 10 0 "[ . 1 . 2]" 1 1553 2 75 VAL MG1 2 76 VAL H 3.800 . 4.300 1.921 1.797 2.650 0.003 12 0 "[ . 1 . 2]" 1 1554 1 75 VAL MG2 1 76 VAL H 4.500 . 5.000 3.932 3.857 4.187 . 0 0 "[ . 1 . 2]" 1 1555 2 75 VAL MG2 2 76 VAL H 4.500 . 5.000 3.934 3.859 4.188 . 0 0 "[ . 1 . 2]" 1 1556 1 75 VAL H 1 76 VAL H 4.500 . 5.000 2.758 2.732 2.806 . 0 0 "[ . 1 . 2]" 1 1557 2 75 VAL H 2 76 VAL H 4.500 . 5.000 2.758 2.733 2.808 . 0 0 "[ . 1 . 2]" 1 1558 1 75 VAL MG1 1 77 LEU H 5.200 . 5.700 4.040 3.931 4.567 . 0 0 "[ . 1 . 2]" 1 1559 2 75 VAL MG1 2 77 LEU H 4.500 . 5.000 4.040 3.932 4.567 . 0 0 "[ . 1 . 2]" 1 1560 1 75 VAL MG2 1 77 LEU H 5.200 . 5.700 5.250 5.170 5.498 . 0 0 "[ . 1 . 2]" 1 1561 2 75 VAL MG2 2 77 LEU H 5.200 . 5.700 5.252 5.173 5.498 . 0 0 "[ . 1 . 2]" 1 1562 1 75 VAL HA 1 78 VAL HB 5.200 . 5.700 5.141 5.063 5.278 . 0 0 "[ . 1 . 2]" 1 1563 2 75 VAL HA 2 78 VAL HB 5.200 . 5.700 5.141 5.062 5.275 . 0 0 "[ . 1 . 2]" 1 1564 1 75 VAL HA 1 78 VAL MG1 4.500 . 5.000 3.584 3.430 3.887 . 0 0 "[ . 1 . 2]" 1 1565 2 75 VAL HA 2 78 VAL MG1 4.500 . 5.000 3.584 3.431 3.886 . 0 0 "[ . 1 . 2]" 1 1566 1 75 VAL HA 1 78 VAL MG2 4.500 . 5.000 2.211 2.168 2.313 . 0 0 "[ . 1 . 2]" 1 1567 2 75 VAL HA 2 78 VAL MG2 4.500 . 5.000 2.211 2.169 2.312 . 0 0 "[ . 1 . 2]" 1 1568 1 75 VAL HA 1 78 VAL H 4.500 . 5.000 3.649 3.606 3.729 . 0 0 "[ . 1 . 2]" 1 1569 2 75 VAL HA 2 78 VAL H 4.500 . 5.000 3.648 3.606 3.727 . 0 0 "[ . 1 . 2]" 1 1570 1 75 VAL MG1 1 79 ALA H 5.200 . 5.700 4.867 4.287 5.099 . 0 0 "[ . 1 . 2]" 1 1571 2 75 VAL MG1 2 79 ALA H 5.200 . 5.700 4.867 4.288 5.098 . 0 0 "[ . 1 . 2]" 1 1572 1 75 VAL MG2 1 79 ALA H 5.200 . 5.700 4.603 4.280 5.541 . 0 0 "[ . 1 . 2]" 1 1573 2 75 VAL MG2 2 79 ALA H 5.200 . 5.700 4.608 4.286 5.540 . 0 0 "[ . 1 . 2]" 1 1574 1 76 VAL H 1 76 VAL HB 3.800 . 4.300 3.630 3.617 3.642 . 0 0 "[ . 1 . 2]" 1 1575 2 76 VAL H 2 76 VAL HB 3.800 . 4.300 3.630 3.616 3.644 . 0 0 "[ . 1 . 2]" 1 1576 1 76 VAL H 1 76 VAL MG2 3.800 . 4.300 1.965 1.869 2.023 . 0 0 "[ . 1 . 2]" 1 1577 2 76 VAL H 2 76 VAL MG2 3.800 . 4.300 1.965 1.868 2.024 . 0 0 "[ . 1 . 2]" 1 1578 1 76 VAL HB 1 77 LEU H 4.500 . 5.000 3.875 3.815 3.906 . 0 0 "[ . 1 . 2]" 1 1579 2 76 VAL HB 2 77 LEU H 4.500 . 5.000 3.875 3.815 3.907 . 0 0 "[ . 1 . 2]" 1 1580 1 76 VAL MG1 1 77 LEU H 4.500 . 5.000 3.906 3.875 3.971 . 0 0 "[ . 1 . 2]" 1 1581 2 76 VAL MG1 2 77 LEU H 4.500 . 5.000 3.906 3.875 3.971 . 0 0 "[ . 1 . 2]" 1 1582 1 76 VAL MG2 1 77 LEU H 4.500 . 5.000 2.104 2.049 2.151 . 0 0 "[ . 1 . 2]" 1 1583 2 76 VAL MG2 2 77 LEU H 3.800 . 4.300 2.104 2.049 2.151 . 0 0 "[ . 1 . 2]" 1 1584 1 76 VAL H 1 77 LEU H 3.800 . 4.300 2.424 2.387 2.520 . 0 0 "[ . 1 . 2]" 1 1585 2 76 VAL H 2 77 LEU H 3.800 . 4.300 2.424 2.388 2.519 . 0 0 "[ . 1 . 2]" 1 1586 1 77 LEU HA 1 77 LEU QD 3.800 . 4.300 2.749 2.004 3.001 . 0 0 "[ . 1 . 2]" 1 1587 2 77 LEU HA 2 77 LEU QD 3.800 . 4.300 2.749 2.004 3.002 . 0 0 "[ . 1 . 2]" 1 1588 1 77 LEU H 1 77 LEU QD 3.800 . 4.300 3.720 3.585 3.758 . 0 0 "[ . 1 . 2]" 1 1589 2 77 LEU H 2 77 LEU QD 3.800 . 4.300 3.720 3.585 3.758 . 0 0 "[ . 1 . 2]" 1 1590 1 77 LEU HA 1 77 LEU MD1 4.500 . 5.000 3.175 2.208 3.639 . 0 0 "[ . 1 . 2]" 1 1591 2 77 LEU HA 2 77 LEU MD1 4.500 . 5.000 3.175 2.208 3.640 . 0 0 "[ . 1 . 2]" 1 1592 1 77 LEU H 1 77 LEU MD1 4.500 . 5.000 4.148 3.981 4.228 . 0 0 "[ . 1 . 2]" 1 1593 2 77 LEU H 2 77 LEU MD1 4.500 . 5.000 4.148 3.980 4.228 . 0 0 "[ . 1 . 2]" 1 1594 1 77 LEU HA 1 77 LEU MD2 4.500 . 5.000 3.339 2.024 3.885 . 0 0 "[ . 1 . 2]" 1 1595 2 77 LEU HA 2 77 LEU MD2 4.500 . 5.000 3.339 2.024 3.885 . 0 0 "[ . 1 . 2]" 1 1596 1 77 LEU H 1 77 LEU MD2 4.500 . 5.000 4.207 4.029 4.231 . 0 0 "[ . 1 . 2]" 1 1597 2 77 LEU H 2 77 LEU MD2 4.500 . 5.000 4.207 4.029 4.231 . 0 0 "[ . 1 . 2]" 1 1598 1 77 LEU H 1 77 LEU HG 4.500 . 5.000 4.390 4.348 4.637 . 0 0 "[ . 1 . 2]" 1 1599 2 77 LEU H 2 77 LEU HG 4.500 . 5.000 4.389 4.349 4.637 . 0 0 "[ . 1 . 2]" 1 1600 1 77 LEU HG 1 78 VAL HA 5.200 . 5.700 4.599 3.531 5.310 . 0 0 "[ . 1 . 2]" 1 1601 2 77 LEU HG 2 78 VAL HA 5.200 . 5.700 4.599 3.529 5.311 . 0 0 "[ . 1 . 2]" 1 1602 1 77 LEU HA 1 78 VAL MG1 5.200 . 5.700 4.835 4.733 4.915 . 0 0 "[ . 1 . 2]" 1 1603 2 77 LEU HA 2 78 VAL MG1 5.200 . 5.700 4.835 4.732 4.915 . 0 0 "[ . 1 . 2]" 1 1604 1 77 LEU QB 1 78 VAL MG1 4.500 . 5.000 2.924 2.720 3.079 . 0 0 "[ . 1 . 2]" 1 1605 2 77 LEU QB 2 78 VAL MG1 4.500 . 5.000 2.924 2.720 3.079 . 0 0 "[ . 1 . 2]" 1 1606 1 77 LEU QD 1 78 VAL MG1 4.500 . 5.000 2.691 2.165 3.030 . 0 0 "[ . 1 . 2]" 1 1607 2 77 LEU QD 2 78 VAL MG1 4.500 . 5.000 2.691 2.163 3.029 . 0 0 "[ . 1 . 2]" 1 1608 1 77 LEU H 1 78 VAL MG1 4.500 . 5.000 4.226 4.091 4.405 . 0 0 "[ . 1 . 2]" 1 1609 2 77 LEU H 2 78 VAL MG1 4.500 . 5.000 4.226 4.091 4.406 . 0 0 "[ . 1 . 2]" 1 1610 1 77 LEU HA 1 78 VAL MG2 5.200 . 5.700 5.022 4.886 5.125 . 0 0 "[ . 1 . 2]" 1 1611 2 77 LEU HA 2 78 VAL MG2 5.200 . 5.700 5.022 4.886 5.125 . 0 0 "[ . 1 . 2]" 1 1612 1 77 LEU QD 1 78 VAL MG2 3.800 . 4.300 4.178 3.671 4.345 0.045 14 0 "[ . 1 . 2]" 1 1613 2 77 LEU QD 2 78 VAL MG2 3.800 . 4.300 4.178 3.670 4.345 0.045 14 0 "[ . 1 . 2]" 1 1614 1 77 LEU H 1 78 VAL MG2 4.500 . 5.000 3.889 3.714 4.016 . 0 0 "[ . 1 . 2]" 1 1615 2 77 LEU H 2 78 VAL MG2 4.500 . 5.000 3.889 3.714 4.016 . 0 0 "[ . 1 . 2]" 1 1616 1 77 LEU HB3 1 78 VAL H 4.500 . 5.000 2.528 2.334 2.620 . 0 0 "[ . 1 . 2]" 1 1617 2 77 LEU HB3 2 78 VAL H 4.500 . 5.000 2.528 2.335 2.620 . 0 0 "[ . 1 . 2]" 1 1618 1 77 LEU HB2 1 78 VAL H 4.500 . 5.000 3.812 3.741 3.908 . 0 0 "[ . 1 . 2]" 1 1619 2 77 LEU HB2 2 78 VAL H 4.500 . 5.000 3.812 3.741 3.908 . 0 0 "[ . 1 . 2]" 1 1620 1 77 LEU QD 1 78 VAL H 4.500 . 5.000 3.278 2.637 3.665 . 0 0 "[ . 1 . 2]" 1 1621 2 77 LEU QD 2 78 VAL H 4.500 . 5.000 3.278 2.637 3.665 . 0 0 "[ . 1 . 2]" 1 1622 1 77 LEU HG 1 78 VAL H 4.500 . 5.000 4.357 3.569 4.708 . 0 0 "[ . 1 . 2]" 1 1623 2 77 LEU HG 2 78 VAL H 4.500 . 5.000 4.357 3.569 4.709 . 0 0 "[ . 1 . 2]" 1 1624 1 77 LEU H 1 78 VAL H 3.800 . 4.300 2.762 2.723 2.841 . 0 0 "[ . 1 . 2]" 1 1625 2 77 LEU H 2 78 VAL H 3.800 . 4.300 2.762 2.723 2.840 . 0 0 "[ . 1 . 2]" 1 1626 1 77 LEU QD 1 81 LEU QD 3.800 . 4.300 2.394 2.014 3.193 . 0 0 "[ . 1 . 2]" 1 1627 2 77 LEU QD 2 81 LEU QD 3.800 . 4.300 2.394 2.014 3.193 . 0 0 "[ . 1 . 2]" 1 1628 1 77 LEU HG 1 81 LEU QD 4.500 . 5.000 3.451 2.609 5.008 0.008 13 0 "[ . 1 . 2]" 1 1629 2 77 LEU HG 2 81 LEU QD 4.500 . 5.000 3.451 2.610 5.008 0.008 13 0 "[ . 1 . 2]" 1 1630 1 78 VAL H 1 78 VAL MG1 3.800 . 4.300 2.151 2.011 2.303 . 0 0 "[ . 1 . 2]" 1 1631 2 78 VAL H 2 78 VAL MG1 3.800 . 4.300 2.151 2.011 2.304 . 0 0 "[ . 1 . 2]" 1 1632 1 78 VAL H 1 78 VAL MG2 4.500 . 5.000 1.985 1.800 2.115 . 0 0 "[ . 1 . 2]" 1 1633 2 78 VAL H 2 78 VAL MG2 4.500 . 5.000 1.985 1.800 2.116 0.000 6 0 "[ . 1 . 2]" 1 1634 1 78 VAL MG2 1 79 ALA HA 4.500 . 5.000 3.139 3.058 3.287 . 0 0 "[ . 1 . 2]" 1 1635 2 78 VAL MG2 2 79 ALA HA 4.500 . 5.000 3.139 3.057 3.287 . 0 0 "[ . 1 . 2]" 1 1636 1 78 VAL HB 1 79 ALA H 4.500 . 5.000 3.868 3.749 3.939 . 0 0 "[ . 1 . 2]" 1 1637 2 78 VAL HB 2 79 ALA H 4.500 . 5.000 3.868 3.750 3.940 . 0 0 "[ . 1 . 2]" 1 1638 1 78 VAL MG1 1 79 ALA H 4.500 . 5.000 3.886 3.797 3.969 . 0 0 "[ . 1 . 2]" 1 1639 2 78 VAL MG1 2 79 ALA H 4.500 . 5.000 3.886 3.797 3.969 . 0 0 "[ . 1 . 2]" 1 1640 1 78 VAL MG2 1 79 ALA H 4.500 . 5.000 2.120 2.019 2.197 . 0 0 "[ . 1 . 2]" 1 1641 2 78 VAL MG2 2 79 ALA H 4.500 . 5.000 2.120 2.019 2.197 . 0 0 "[ . 1 . 2]" 1 1642 1 78 VAL H 1 79 ALA H 4.500 . 5.000 2.504 2.465 2.550 . 0 0 "[ . 1 . 2]" 1 1643 2 78 VAL H 2 79 ALA H 4.500 . 5.000 2.503 2.464 2.549 . 0 0 "[ . 1 . 2]" 1 1644 1 78 VAL MG2 1 80 ALA H 4.500 . 5.000 4.367 4.298 4.474 . 0 0 "[ . 1 . 2]" 1 1645 2 78 VAL MG2 2 80 ALA H 4.500 . 5.000 4.367 4.299 4.473 . 0 0 "[ . 1 . 2]" 1 1646 1 78 VAL HA 1 81 LEU QB 5.200 . 5.700 2.912 2.646 3.079 . 0 0 "[ . 1 . 2]" 1 1647 2 78 VAL HA 2 81 LEU QB 5.200 . 5.700 2.911 2.645 3.077 . 0 0 "[ . 1 . 2]" 1 1648 1 78 VAL HA 1 81 LEU QD 3.800 . 4.300 2.608 2.224 3.438 . 0 0 "[ . 1 . 2]" 1 1649 2 78 VAL HA 2 81 LEU QD 3.800 . 4.300 2.608 2.224 3.439 . 0 0 "[ . 1 . 2]" 1 1650 1 78 VAL HA 1 81 LEU MD1 4.500 . 5.000 2.637 2.240 3.633 . 0 0 "[ . 1 . 2]" 1 1651 2 78 VAL HA 2 81 LEU MD1 4.500 . 5.000 2.637 2.240 3.633 . 0 0 "[ . 1 . 2]" 1 1652 1 78 VAL HA 1 81 LEU MD2 4.500 . 5.000 4.298 3.729 4.796 . 0 0 "[ . 1 . 2]" 1 1653 2 78 VAL HA 2 81 LEU MD2 4.500 . 5.000 4.298 3.728 4.796 . 0 0 "[ . 1 . 2]" 1 1654 1 79 ALA MB 1 80 ALA HA 4.500 . 5.000 3.741 3.728 3.755 . 0 0 "[ . 1 . 2]" 1 1655 2 79 ALA MB 2 80 ALA HA 4.500 . 5.000 3.741 3.728 3.755 . 0 0 "[ . 1 . 2]" 1 1656 1 79 ALA MB 1 80 ALA MB 4.500 . 5.000 3.789 3.721 3.890 . 0 0 "[ . 1 . 2]" 1 1657 2 79 ALA MB 2 80 ALA MB 4.500 . 5.000 3.789 3.720 3.889 . 0 0 "[ . 1 . 2]" 1 1658 1 79 ALA H 1 80 ALA MB 4.500 . 5.000 4.409 4.345 4.513 . 0 0 "[ . 1 . 2]" 1 1659 2 79 ALA H 2 80 ALA MB 4.500 . 5.000 4.409 4.345 4.514 . 0 0 "[ . 1 . 2]" 1 1660 1 79 ALA MB 1 80 ALA H 3.800 . 4.300 2.677 2.585 2.774 . 0 0 "[ . 1 . 2]" 1 1661 2 79 ALA MB 2 80 ALA H 3.800 . 4.300 2.676 2.587 2.773 . 0 0 "[ . 1 . 2]" 1 1662 1 79 ALA H 1 80 ALA H 3.800 . 4.300 2.733 2.684 2.836 . 0 0 "[ . 1 . 2]" 1 1663 2 79 ALA H 2 80 ALA H 3.800 . 4.300 2.733 2.683 2.837 . 0 0 "[ . 1 . 2]" 1 1664 1 79 ALA HA 1 82 THR HB 4.500 . 5.000 2.790 2.585 2.953 . 0 0 "[ . 1 . 2]" 1 1665 2 79 ALA HA 2 82 THR HB 4.500 . 5.000 2.790 2.586 2.952 . 0 0 "[ . 1 . 2]" 1 1666 1 79 ALA MB 1 82 THR HB 4.500 . 5.000 3.978 3.786 4.188 . 0 0 "[ . 1 . 2]" 1 1667 2 79 ALA MB 2 82 THR HB 4.500 . 5.000 3.978 3.786 4.188 . 0 0 "[ . 1 . 2]" 1 1668 1 80 ALA MB 1 81 LEU QD 4.500 . 5.000 2.822 2.238 4.495 . 0 0 "[ . 1 . 2]" 1 1669 2 80 ALA MB 2 81 LEU QD 4.500 . 5.000 2.822 2.238 4.495 . 0 0 "[ . 1 . 2]" 1 1670 1 80 ALA MB 1 81 LEU HG 4.500 . 5.000 3.592 3.070 5.066 0.066 13 0 "[ . 1 . 2]" 1 1671 2 80 ALA MB 2 81 LEU HG 4.500 . 5.000 3.592 3.071 5.065 0.065 13 0 "[ . 1 . 2]" 1 1672 1 80 ALA MB 1 81 LEU H 3.800 . 4.300 2.486 2.380 2.548 . 0 0 "[ . 1 . 2]" 1 1673 2 80 ALA MB 2 81 LEU H 3.800 . 4.300 2.486 2.380 2.548 . 0 0 "[ . 1 . 2]" 1 1674 1 80 ALA H 1 81 LEU H 3.800 . 4.300 2.653 2.585 2.714 . 0 0 "[ . 1 . 2]" 1 1675 2 80 ALA H 2 81 LEU H 3.800 . 4.300 2.653 2.586 2.712 . 0 0 "[ . 1 . 2]" 1 1676 1 80 ALA MB 1 82 THR H 4.500 . 5.000 4.396 4.365 4.438 . 0 0 "[ . 1 . 2]" 1 1677 2 80 ALA MB 2 82 THR H 4.500 . 5.000 4.396 4.364 4.439 . 0 0 "[ . 1 . 2]" 1 1678 1 80 ALA H 1 82 THR H 4.500 . 5.000 3.962 3.923 4.024 . 0 0 "[ . 1 . 2]" 1 1679 2 80 ALA H 2 82 THR H 4.500 . 5.000 3.962 3.923 4.023 . 0 0 "[ . 1 . 2]" 1 1680 1 80 ALA HA 1 83 VAL HB 4.500 . 5.000 3.648 3.410 3.819 . 0 0 "[ . 1 . 2]" 1 1681 2 80 ALA HA 2 83 VAL HB 4.500 . 5.000 3.647 3.409 3.815 . 0 0 "[ . 1 . 2]" 1 1682 1 80 ALA HA 1 83 VAL MG2 4.500 . 5.000 2.894 2.637 3.150 . 0 0 "[ . 1 . 2]" 1 1683 2 80 ALA HA 2 83 VAL MG2 4.500 . 5.000 2.895 2.638 3.150 . 0 0 "[ . 1 . 2]" 1 1684 1 80 ALA HA 1 83 VAL H 4.500 . 5.000 3.643 3.536 3.720 . 0 0 "[ . 1 . 2]" 1 1685 2 80 ALA HA 2 83 VAL H 4.500 . 5.000 3.643 3.536 3.721 . 0 0 "[ . 1 . 2]" 1 1686 1 81 LEU HA 1 81 LEU QD 3.800 . 4.300 2.414 2.019 2.908 . 0 0 "[ . 1 . 2]" 1 1687 2 81 LEU HA 2 81 LEU QD 3.800 . 4.300 2.414 2.018 2.908 . 0 0 "[ . 1 . 2]" 1 1688 1 81 LEU H 1 81 LEU QD 3.800 . 4.300 2.488 1.795 3.704 0.005 8 0 "[ . 1 . 2]" 1 1689 2 81 LEU H 2 81 LEU QD 3.800 . 4.300 2.488 1.794 3.703 0.006 5 0 "[ . 1 . 2]" 1 1690 1 81 LEU HA 1 81 LEU MD1 4.500 . 5.000 3.471 3.007 3.775 . 0 0 "[ . 1 . 2]" 1 1691 2 81 LEU HA 2 81 LEU MD1 4.500 . 5.000 3.471 3.008 3.775 . 0 0 "[ . 1 . 2]" 1 1692 1 81 LEU H 1 81 LEU MD1 4.500 . 5.000 2.912 1.797 4.093 0.003 8 0 "[ . 1 . 2]" 1 1693 2 81 LEU H 2 81 LEU MD1 4.500 . 5.000 2.912 1.796 4.092 0.004 5 0 "[ . 1 . 2]" 1 1694 1 81 LEU HA 1 81 LEU MD2 4.500 . 5.000 2.698 2.027 3.599 . 0 0 "[ . 1 . 2]" 1 1695 2 81 LEU HA 2 81 LEU MD2 4.500 . 5.000 2.699 2.026 3.599 . 0 0 "[ . 1 . 2]" 1 1696 1 81 LEU H 1 81 LEU MD2 4.500 . 5.000 3.463 3.009 4.231 . 0 0 "[ . 1 . 2]" 1 1697 2 81 LEU H 2 81 LEU MD2 4.500 . 5.000 3.463 3.010 4.230 . 0 0 "[ . 1 . 2]" 1 1698 1 81 LEU H 1 81 LEU HG 4.500 . 5.000 2.675 2.042 4.220 . 0 0 "[ . 1 . 2]" 1 1699 2 81 LEU H 2 81 LEU HG 4.500 . 5.000 2.675 2.043 4.219 . 0 0 "[ . 1 . 2]" 1 1700 1 81 LEU QB 1 82 THR H 4.500 . 5.000 2.660 2.563 2.744 . 0 0 "[ . 1 . 2]" 1 1701 2 81 LEU QB 2 82 THR H 4.500 . 5.000 2.660 2.563 2.743 . 0 0 "[ . 1 . 2]" 1 1702 1 81 LEU HB3 1 82 THR H 4.500 . 5.000 3.686 2.612 3.802 . 0 0 "[ . 1 . 2]" 1 1703 2 81 LEU HB3 2 82 THR H 4.500 . 5.000 3.687 2.612 3.804 . 0 0 "[ . 1 . 2]" 1 1704 1 81 LEU HB2 1 82 THR H 4.500 . 5.000 2.778 2.655 3.714 . 0 0 "[ . 1 . 2]" 1 1705 2 81 LEU HB2 2 82 THR H 4.500 . 5.000 2.778 2.656 3.713 . 0 0 "[ . 1 . 2]" 1 1706 1 81 LEU HA 1 83 VAL H 5.200 . 5.700 4.051 3.971 4.100 . 0 0 "[ . 1 . 2]" 1 1707 2 81 LEU HA 2 83 VAL H 5.200 . 5.700 4.051 3.970 4.099 . 0 0 "[ . 1 . 2]" 1 1708 1 81 LEU HA 1 84 ALA MB 3.800 . 4.300 2.960 2.824 3.070 . 0 0 "[ . 1 . 2]" 1 1709 2 81 LEU HA 2 84 ALA MB 3.800 . 4.300 2.960 2.824 3.071 . 0 0 "[ . 1 . 2]" 1 1710 1 81 LEU QD 1 84 ALA MB 4.500 . 5.000 3.724 2.918 4.295 . 0 0 "[ . 1 . 2]" 1 1711 2 81 LEU QD 2 84 ALA MB 4.500 . 5.000 3.724 2.917 4.295 . 0 0 "[ . 1 . 2]" 1 1712 1 81 LEU HG 1 84 ALA MB 5.200 . 5.700 4.944 3.353 5.644 . 0 0 "[ . 1 . 2]" 1 1713 2 81 LEU HG 2 84 ALA MB 5.200 . 5.700 4.943 3.352 5.645 . 0 0 "[ . 1 . 2]" 1 1714 1 82 THR H 1 82 THR MG 4.500 . 5.000 3.748 3.742 3.754 . 0 0 "[ . 1 . 2]" 1 1715 2 82 THR H 2 82 THR MG 4.500 . 5.000 3.747 3.743 3.755 . 0 0 "[ . 1 . 2]" 1 1716 1 82 THR MG 1 83 VAL HA 4.500 . 5.000 3.684 3.600 3.816 . 0 0 "[ . 1 . 2]" 1 1717 2 82 THR MG 2 83 VAL HA 4.500 . 5.000 3.684 3.601 3.817 . 0 0 "[ . 1 . 2]" 1 1718 1 82 THR HB 1 83 VAL MG2 4.500 . 5.000 3.265 3.128 3.449 . 0 0 "[ . 1 . 2]" 1 1719 2 82 THR HB 2 83 VAL MG2 4.500 . 5.000 3.265 3.129 3.451 . 0 0 "[ . 1 . 2]" 1 1720 1 82 THR H 1 83 VAL MG2 4.500 . 5.000 4.242 4.181 4.307 . 0 0 "[ . 1 . 2]" 1 1721 2 82 THR H 2 83 VAL MG2 4.500 . 5.000 4.243 4.181 4.308 . 0 0 "[ . 1 . 2]" 1 1722 1 82 THR MG 1 83 VAL H 4.500 . 5.000 3.614 3.560 3.684 . 0 0 "[ . 1 . 2]" 1 1723 2 82 THR MG 2 83 VAL H 4.500 . 5.000 3.614 3.560 3.683 . 0 0 "[ . 1 . 2]" 1 1724 1 82 THR H 1 83 VAL H 4.500 . 5.000 2.765 2.713 2.809 . 0 0 "[ . 1 . 2]" 1 1725 2 82 THR H 2 83 VAL H 4.500 . 5.000 2.765 2.713 2.809 . 0 0 "[ . 1 . 2]" 1 1726 1 82 THR MG 1 85 MET QB 4.500 . 5.000 3.222 2.963 3.527 . 0 0 "[ . 1 . 2]" 1 1727 2 82 THR MG 2 85 MET QB 4.500 . 5.000 3.222 2.963 3.528 . 0 0 "[ . 1 . 2]" 1 1728 1 82 THR HA 1 85 MET HB3 4.500 . 5.000 3.952 3.359 5.008 0.008 13 0 "[ . 1 . 2]" 1 1729 2 82 THR HA 2 85 MET HB3 4.500 . 5.000 3.952 3.358 5.008 0.008 13 0 "[ . 1 . 2]" 1 1730 1 82 THR HA 1 85 MET HB2 4.500 . 5.000 3.491 3.153 3.718 . 0 0 "[ . 1 . 2]" 1 1731 2 82 THR HA 2 85 MET HB2 4.500 . 5.000 3.490 3.153 3.718 . 0 0 "[ . 1 . 2]" 1 1732 1 83 VAL H 1 83 VAL HB 3.800 . 4.300 2.460 2.429 2.494 . 0 0 "[ . 1 . 2]" 1 1733 2 83 VAL H 2 83 VAL HB 3.800 . 4.300 2.458 2.429 2.489 . 0 0 "[ . 1 . 2]" 1 1734 1 83 VAL H 1 83 VAL MG1 4.500 . 5.000 3.742 3.731 3.753 . 0 0 "[ . 1 . 2]" 1 1735 2 83 VAL H 2 83 VAL MG1 4.500 . 5.000 3.741 3.731 3.751 . 0 0 "[ . 1 . 2]" 1 1736 1 83 VAL H 1 83 VAL MG2 3.800 . 4.300 2.165 2.135 2.259 . 0 0 "[ . 1 . 2]" 1 1737 2 83 VAL H 2 83 VAL MG2 3.800 . 4.300 2.166 2.136 2.260 . 0 0 "[ . 1 . 2]" 1 1738 1 83 VAL MG1 1 84 ALA HA 4.500 . 5.000 3.399 3.324 3.435 . 0 0 "[ . 1 . 2]" 1 1739 2 83 VAL MG1 2 84 ALA HA 4.500 . 5.000 3.396 3.321 3.434 . 0 0 "[ . 1 . 2]" 1 1740 1 83 VAL HB 1 84 ALA MB 4.500 . 5.000 4.142 4.043 4.212 . 0 0 "[ . 1 . 2]" 1 1741 2 83 VAL HB 2 84 ALA MB 4.500 . 5.000 4.142 4.043 4.212 . 0 0 "[ . 1 . 2]" 1 1742 1 83 VAL MG1 1 84 ALA MB 4.500 . 5.000 4.157 4.060 4.215 . 0 0 "[ . 1 . 2]" 1 1743 2 83 VAL MG1 2 84 ALA MB 4.500 . 5.000 4.154 4.057 4.213 . 0 0 "[ . 1 . 2]" 1 1744 1 83 VAL HB 1 84 ALA H 3.800 . 4.300 2.795 2.727 2.838 . 0 0 "[ . 1 . 2]" 1 1745 2 83 VAL HB 2 84 ALA H 3.800 . 4.300 2.794 2.727 2.836 . 0 0 "[ . 1 . 2]" 1 1746 1 83 VAL MG1 1 84 ALA H 4.500 . 5.000 3.487 3.419 3.526 . 0 0 "[ . 1 . 2]" 1 1747 2 83 VAL MG1 2 84 ALA H 4.500 . 5.000 3.484 3.418 3.520 . 0 0 "[ . 1 . 2]" 1 1748 1 83 VAL H 1 84 ALA H 3.800 . 4.300 2.691 2.665 2.707 . 0 0 "[ . 1 . 2]" 1 1749 2 83 VAL H 2 84 ALA H 3.800 . 4.300 2.692 2.666 2.708 . 0 0 "[ . 1 . 2]" 1 1750 1 83 VAL HA 1 86 ASN QB 4.500 . 5.000 3.084 2.739 4.080 . 0 0 "[ . 1 . 2]" 1 1751 2 83 VAL HA 2 86 ASN QB 4.500 . 5.000 3.085 2.739 4.081 . 0 0 "[ . 1 . 2]" 1 1752 1 83 VAL MG1 1 86 ASN QD 4.500 . 5.000 3.392 2.332 3.732 . 0 0 "[ . 1 . 2]" 1 1753 2 83 VAL MG1 2 86 ASN QD 4.500 . 5.000 3.393 2.336 3.733 . 0 0 "[ . 1 . 2]" 1 1754 1 83 VAL MG1 1 86 ASN HD21 4.500 . 5.000 3.562 2.374 4.052 . 0 0 "[ . 1 . 2]" 1 1755 2 83 VAL MG1 2 86 ASN HD21 4.500 . 5.000 3.563 2.378 4.053 . 0 0 "[ . 1 . 2]" 1 1756 1 83 VAL MG1 1 86 ASN HD22 4.500 . 5.000 4.673 3.072 5.014 0.014 17 0 "[ . 1 . 2]" 1 1757 2 83 VAL MG1 2 86 ASN HD22 4.500 . 5.000 4.674 3.072 5.013 0.013 15 0 "[ . 1 . 2]" 1 1758 1 83 VAL MG1 1 87 ASN HB2 4.500 . 5.000 4.096 3.621 5.010 0.010 12 0 "[ . 1 . 2]" 1 1759 2 83 VAL MG1 2 87 ASN HB2 4.500 . 5.000 4.095 3.621 5.009 0.009 12 0 "[ . 1 . 2]" 1 1760 1 83 VAL MG1 1 87 ASN H 5.200 . 5.700 4.035 3.819 4.477 . 0 0 "[ . 1 . 2]" 1 1761 2 83 VAL MG1 2 87 ASN H 5.200 . 5.700 4.035 3.819 4.477 . 0 0 "[ . 1 . 2]" 1 1762 1 84 ALA MB 1 85 MET H 3.800 . 4.300 2.626 2.561 2.746 . 0 0 "[ . 1 . 2]" 1 1763 2 84 ALA MB 2 85 MET H 3.800 . 4.300 2.626 2.561 2.746 . 0 0 "[ . 1 . 2]" 1 1764 1 84 ALA H 1 85 MET H 4.500 . 5.000 2.712 2.650 2.768 . 0 0 "[ . 1 . 2]" 1 1765 2 84 ALA H 2 85 MET H 4.500 . 5.000 2.712 2.648 2.768 . 0 0 "[ . 1 . 2]" 1 1766 1 84 ALA HA 1 87 ASN HB3 4.500 . 5.000 3.247 2.745 4.518 . 0 0 "[ . 1 . 2]" 1 1767 2 84 ALA HA 2 87 ASN HB3 4.500 . 5.000 3.247 2.745 4.520 . 0 0 "[ . 1 . 2]" 1 1768 1 84 ALA MB 1 87 ASN HB3 4.500 . 5.000 4.071 3.623 5.010 0.010 14 0 "[ . 1 . 2]" 1 1769 2 84 ALA MB 2 87 ASN HB3 4.500 . 5.000 4.071 3.623 5.011 0.011 14 0 "[ . 1 . 2]" 1 1770 1 84 ALA HA 1 87 ASN H 4.500 . 5.000 3.239 3.014 3.472 . 0 0 "[ . 1 . 2]" 1 1771 2 84 ALA HA 2 87 ASN H 4.500 . 5.000 3.239 3.015 3.472 . 0 0 "[ . 1 . 2]" 1 1772 1 84 ALA MB 1 87 ASN H 5.200 . 5.700 4.422 4.227 4.647 . 0 0 "[ . 1 . 2]" 1 1773 2 84 ALA MB 2 87 ASN H 5.200 . 5.700 4.422 4.227 4.647 . 0 0 "[ . 1 . 2]" 1 1774 1 84 ALA HA 1 88 PHE H 4.500 . 5.000 4.258 4.136 4.333 . 0 0 "[ . 1 . 2]" 1 1775 2 84 ALA HA 2 88 PHE H 4.500 . 5.000 4.258 4.136 4.333 . 0 0 "[ . 1 . 2]" 1 1776 1 85 MET HA 1 85 MET ME 3.800 . 4.300 3.769 2.805 4.327 0.027 9 0 "[ . 1 . 2]" 1 1777 2 85 MET HA 2 85 MET ME 3.800 . 4.300 3.769 2.804 4.325 0.025 9 0 "[ . 1 . 2]" 1 1778 1 85 MET ME 1 85 MET QG 2.800 . 3.300 2.144 2.065 2.295 . 0 0 "[ . 1 . 2]" 1 1779 2 85 MET ME 2 85 MET QG 2.800 . 3.300 2.144 2.066 2.294 . 0 0 "[ . 1 . 2]" 1 1780 1 85 MET ME 1 85 MET HG3 3.800 . 4.300 2.634 2.165 3.298 . 0 0 "[ . 1 . 2]" 1 1781 2 85 MET ME 2 85 MET HG3 3.800 . 4.300 2.634 2.166 3.298 . 0 0 "[ . 1 . 2]" 1 1782 1 85 MET ME 1 85 MET HG2 3.800 . 4.300 2.560 2.120 3.351 . 0 0 "[ . 1 . 2]" 1 1783 2 85 MET ME 2 85 MET HG2 3.800 . 4.300 2.560 2.119 3.350 . 0 0 "[ . 1 . 2]" 1 1784 1 85 MET HA 1 85 MET QG 3.800 . 4.300 2.551 2.287 2.810 . 0 0 "[ . 1 . 2]" 1 1785 2 85 MET HA 2 85 MET QG 3.800 . 4.300 2.551 2.286 2.810 . 0 0 "[ . 1 . 2]" 1 1786 1 85 MET ME 1 86 ASN HA 4.500 . 5.000 4.406 3.420 5.023 0.023 15 0 "[ . 1 . 2]" 1 1787 2 85 MET ME 2 86 ASN HA 4.500 . 5.000 4.406 3.420 5.022 0.022 18 0 "[ . 1 . 2]" 1 1788 1 85 MET QB 1 86 ASN H 4.500 . 5.000 2.608 2.474 2.669 . 0 0 "[ . 1 . 2]" 1 1789 2 85 MET QB 2 86 ASN H 4.500 . 5.000 2.607 2.474 2.670 . 0 0 "[ . 1 . 2]" 1 1790 1 85 MET HA 1 88 PHE QB 4.500 . 5.000 2.527 2.282 2.836 . 0 0 "[ . 1 . 2]" 1 1791 2 85 MET HA 2 88 PHE QB 4.500 . 5.000 2.527 2.283 2.836 . 0 0 "[ . 1 . 2]" 1 1792 1 85 MET ME 1 88 PHE QB 4.500 . 5.000 3.921 2.785 5.013 0.013 6 0 "[ . 1 . 2]" 1 1793 2 85 MET ME 2 88 PHE QB 4.500 . 5.000 3.921 2.784 5.013 0.013 6 0 "[ . 1 . 2]" 1 1794 1 85 MET HA 1 88 PHE HB3 4.500 . 5.000 3.136 2.439 4.449 . 0 0 "[ . 1 . 2]" 1 1795 2 85 MET HA 2 88 PHE HB3 4.500 . 5.000 3.136 2.439 4.451 . 0 0 "[ . 1 . 2]" 1 1796 1 85 MET HA 1 88 PHE HB2 4.500 . 5.000 2.986 2.624 3.679 . 0 0 "[ . 1 . 2]" 1 1797 2 85 MET HA 2 88 PHE HB2 4.500 . 5.000 2.987 2.624 3.681 . 0 0 "[ . 1 . 2]" 1 1798 1 85 MET ME 1 89 PHE HA 5.200 . 5.700 4.443 3.475 5.378 . 0 0 "[ . 1 . 2]" 1 1799 2 85 MET ME 2 89 PHE HA 5.200 . 5.700 4.443 3.478 5.378 . 0 0 "[ . 1 . 2]" 1 1800 1 85 MET ME 1 89 PHE QB 4.500 . 5.000 3.481 2.490 4.458 . 0 0 "[ . 1 . 2]" 1 1801 2 85 MET ME 2 89 PHE QB 4.500 . 5.000 3.482 2.491 4.458 . 0 0 "[ . 1 . 2]" 1 1802 1 85 MET ME 1 89 PHE HD1 4.500 . 5.000 3.415 2.732 3.741 . 0 0 "[ . 1 . 2]" 1 1803 2 85 MET ME 2 89 PHE HD1 4.500 . 5.000 3.415 2.731 3.741 . 0 0 "[ . 1 . 2]" 1 1804 1 85 MET ME 1 89 PHE HE1 4.500 . 5.000 4.806 1.966 5.024 0.024 17 0 "[ . 1 . 2]" 1 1805 2 85 MET ME 2 89 PHE HE1 4.500 . 5.000 4.806 1.966 5.023 0.023 17 0 "[ . 1 . 2]" 1 1806 1 86 ASN QD 1 87 ASN HB2 4.500 . 5.000 4.873 4.273 5.047 0.047 7 0 "[ . 1 . 2]" 1 1807 2 86 ASN QD 2 87 ASN HB2 4.500 . 5.000 4.873 4.273 5.047 0.047 7 0 "[ . 1 . 2]" 1 1808 1 86 ASN QB 1 87 ASN H 3.800 . 4.300 2.552 2.287 3.456 . 0 0 "[ . 1 . 2]" 1 1809 2 86 ASN QB 2 87 ASN H 3.800 . 4.300 2.552 2.288 3.456 . 0 0 "[ . 1 . 2]" 1 1810 1 86 ASN HB3 1 87 ASN H 4.500 . 5.000 2.749 2.438 3.833 . 0 0 "[ . 1 . 2]" 1 1811 2 86 ASN HB3 2 87 ASN H 4.500 . 5.000 2.749 2.436 3.834 . 0 0 "[ . 1 . 2]" 1 1812 1 86 ASN HB2 1 87 ASN H 4.500 . 5.000 3.616 2.315 3.929 . 0 0 "[ . 1 . 2]" 1 1813 2 86 ASN HB2 2 87 ASN H 4.500 . 5.000 3.616 2.315 3.929 . 0 0 "[ . 1 . 2]" 1 1814 1 86 ASN H 1 87 ASN H 4.500 . 5.000 2.683 2.586 2.783 . 0 0 "[ . 1 . 2]" 1 1815 2 86 ASN H 2 87 ASN H 4.500 . 5.000 2.683 2.585 2.783 . 0 0 "[ . 1 . 2]" 1 1816 1 86 ASN HA 1 89 PHE QB 4.500 . 5.000 2.645 2.314 2.895 . 0 0 "[ . 1 . 2]" 1 1817 2 86 ASN HA 2 89 PHE QB 4.500 . 5.000 2.645 2.314 2.894 . 0 0 "[ . 1 . 2]" 1 1818 1 87 ASN H 1 87 ASN HB3 3.800 . 4.300 2.774 2.574 3.563 . 0 0 "[ . 1 . 2]" 1 1819 2 87 ASN H 2 87 ASN HB3 3.800 . 4.300 2.774 2.573 3.565 . 0 0 "[ . 1 . 2]" 1 1820 1 87 ASN H 1 87 ASN HB2 3.800 . 4.300 2.419 2.302 2.482 . 0 0 "[ . 1 . 2]" 1 1821 2 87 ASN H 2 87 ASN HB2 3.800 . 4.300 2.419 2.302 2.481 . 0 0 "[ . 1 . 2]" 1 1822 1 87 ASN H 1 88 PHE H 4.500 . 5.000 2.651 2.554 2.755 . 0 0 "[ . 1 . 2]" 1 1823 2 87 ASN H 2 88 PHE H 4.500 . 5.000 2.652 2.555 2.754 . 0 0 "[ . 1 . 2]" 1 1824 1 88 PHE H 1 88 PHE HB3 3.800 . 4.300 2.899 2.565 3.628 . 0 0 "[ . 1 . 2]" 1 1825 2 88 PHE H 2 88 PHE HB3 3.800 . 4.300 2.899 2.564 3.630 . 0 0 "[ . 1 . 2]" 1 1826 1 88 PHE H 1 88 PHE HB2 3.800 . 4.300 2.466 2.398 2.520 . 0 0 "[ . 1 . 2]" 1 1827 2 88 PHE H 2 88 PHE HB2 3.800 . 4.300 2.466 2.397 2.520 . 0 0 "[ . 1 . 2]" 1 1828 1 88 PHE HA 1 88 PHE HD1 3.800 . 4.300 2.749 2.533 2.825 . 0 0 "[ . 1 . 2]" 1 1829 2 88 PHE HA 2 88 PHE HD1 3.800 . 4.300 2.749 2.535 2.826 . 0 0 "[ . 1 . 2]" 1 1830 1 88 PHE QB 1 88 PHE HE1 4.500 . 5.000 4.473 4.460 4.504 . 0 0 "[ . 1 . 2]" 1 1831 2 88 PHE QB 2 88 PHE HE1 4.500 . 5.000 4.473 4.461 4.505 . 0 0 "[ . 1 . 2]" 1 1832 1 89 PHE H 1 89 PHE HB3 3.800 . 4.300 2.699 2.572 3.546 . 0 0 "[ . 1 . 2]" 1 1833 2 89 PHE H 2 89 PHE HB3 3.800 . 4.300 2.699 2.573 3.547 . 0 0 "[ . 1 . 2]" 1 1834 1 89 PHE H 1 89 PHE HB2 3.800 . 4.300 2.378 2.254 2.446 . 0 0 "[ . 1 . 2]" 1 1835 2 89 PHE H 2 89 PHE HB2 3.800 . 4.300 2.378 2.254 2.447 . 0 0 "[ . 1 . 2]" 1 1836 1 89 PHE HA 1 89 PHE HD1 3.800 . 4.300 2.792 2.216 2.893 . 0 0 "[ . 1 . 2]" 1 1837 2 89 PHE HA 2 89 PHE HD1 3.800 . 4.300 2.792 2.216 2.891 . 0 0 "[ . 1 . 2]" 1 1838 1 89 PHE H 1 89 PHE HD1 4.500 . 5.000 4.345 2.455 4.536 . 0 0 "[ . 1 . 2]" 1 1839 2 89 PHE H 2 89 PHE HD1 4.500 . 5.000 4.345 2.455 4.537 . 0 0 "[ . 1 . 2]" 1 1840 1 90 TRP HA 1 90 TRP HD1 4.500 . 5.000 4.304 4.280 4.323 . 0 0 "[ . 1 . 2]" 1 1841 2 90 TRP HA 2 90 TRP HD1 4.500 . 5.000 4.304 4.277 4.323 . 0 0 "[ . 1 . 2]" 1 1842 1 90 TRP H 1 90 TRP HD1 5.200 . 5.700 5.086 5.072 5.114 . 0 0 "[ . 1 . 2]" 1 1843 2 90 TRP H 2 90 TRP HD1 5.200 . 5.700 5.086 5.072 5.115 . 0 0 "[ . 1 . 2]" 1 1844 1 90 TRP HA 1 90 TRP HE3 4.500 . 5.000 2.662 2.611 2.733 . 0 0 "[ . 1 . 2]" 1 1845 2 90 TRP HA 2 90 TRP HE3 4.500 . 5.000 2.662 2.612 2.732 . 0 0 "[ . 1 . 2]" 1 1846 1 90 TRP HD1 1 91 GLU HA 3.800 . 4.300 3.745 3.664 3.822 . 0 0 "[ . 1 . 2]" 1 1847 2 90 TRP HD1 2 91 GLU HA 3.800 . 4.300 3.745 3.663 3.821 . 0 0 "[ . 1 . 2]" 1 1848 1 90 TRP QB 1 91 GLU H 3.800 . 4.300 2.708 2.682 2.818 . 0 0 "[ . 1 . 2]" 1 1849 2 90 TRP QB 2 91 GLU H 3.800 . 4.300 2.708 2.682 2.818 . 0 0 "[ . 1 . 2]" 1 1850 1 90 TRP HD1 1 91 GLU H 4.500 . 5.000 4.201 4.145 4.319 . 0 0 "[ . 1 . 2]" 1 1851 2 90 TRP HD1 2 91 GLU H 4.500 . 5.000 4.200 4.142 4.318 . 0 0 "[ . 1 . 2]" 1 1852 1 92 ASN HA 1 92 ASN HD21 3.800 . 4.300 2.595 1.957 4.303 0.003 18 0 "[ . 1 . 2]" 1 1853 2 92 ASN HA 2 92 ASN HD21 3.800 . 4.300 2.596 1.957 4.303 0.003 18 0 "[ . 1 . 2]" 1 1854 1 92 ASN HA 1 92 ASN HD22 3.800 . 4.300 3.723 3.443 4.373 0.073 18 0 "[ . 1 . 2]" 1 1855 2 92 ASN HA 2 92 ASN HD22 3.800 . 4.300 3.723 3.444 4.373 0.073 18 0 "[ . 1 . 2]" 1 1856 1 92 ASN HA 1 93 SER HA 4.500 . 5.000 4.426 4.373 4.564 . 0 0 "[ . 1 . 2]" 1 1857 2 92 ASN HA 2 93 SER HA 4.500 . 5.000 4.426 4.373 4.564 . 0 0 "[ . 1 . 2]" 1 1858 1 92 ASN QB 1 93 SER HA 4.500 . 5.000 4.505 3.976 5.026 0.026 1 0 "[ . 1 . 2]" 1 1859 2 92 ASN QB 2 93 SER HA 4.500 . 5.000 4.505 3.975 5.027 0.027 1 0 "[ . 1 . 2]" 1 1860 1 92 ASN HA 1 93 SER QB 4.500 . 5.000 4.326 3.983 4.888 . 0 0 "[ . 1 . 2]" 1 1861 2 92 ASN HA 2 93 SER QB 4.500 . 5.000 4.326 3.981 4.887 . 0 0 "[ . 1 . 2]" 1 1862 1 92 ASN HA 1 93 SER H 3.800 . 4.300 2.306 2.136 3.518 . 0 0 "[ . 1 . 2]" 1 1863 2 92 ASN HA 2 93 SER H 3.800 . 4.300 2.306 2.138 3.517 . 0 0 "[ . 1 . 2]" 1 1864 1 92 ASN QB 1 93 SER H 4.500 . 5.000 3.260 2.694 3.836 . 0 0 "[ . 1 . 2]" 1 1865 2 92 ASN QB 2 93 SER H 4.500 . 5.000 3.260 2.694 3.836 . 0 0 "[ . 1 . 2]" 1 1866 1 8 MET H 1 11 LEU QD 5.200 . 5.700 5.060 4.698 5.271 . 0 0 "[ . 1 . 2]" 1 1867 2 8 MET H 2 11 LEU QD 5.200 . 5.700 5.060 4.700 5.270 . 0 0 "[ . 1 . 2]" 1 1868 1 8 MET H 1 11 LEU MD1 5.200 . 5.700 5.413 4.944 5.643 . 0 0 "[ . 1 . 2]" 1 1869 2 8 MET H 2 11 LEU MD1 5.200 . 5.700 5.413 4.946 5.642 . 0 0 "[ . 1 . 2]" 1 1870 1 10 THR MG 1 11 LEU QD 4.500 . 5.000 3.345 3.168 4.409 . 0 0 "[ . 1 . 2]" 1 1871 2 10 THR MG 2 11 LEU QD 4.500 . 5.000 3.344 3.169 4.409 . 0 0 "[ . 1 . 2]" 1 1872 1 10 THR MG 1 11 LEU MD2 4.500 . 5.000 3.381 3.192 4.581 . 0 0 "[ . 1 . 2]" 1 1873 2 10 THR MG 2 11 LEU MD2 4.500 . 5.000 3.380 3.193 4.580 . 0 0 "[ . 1 . 2]" 1 1874 1 10 THR H 1 11 LEU QD 4.500 . 5.000 4.553 4.394 4.644 . 0 0 "[ . 1 . 2]" 1 1875 2 10 THR H 2 11 LEU QD 4.500 . 5.000 4.553 4.395 4.644 . 0 0 "[ . 1 . 2]" 1 1876 1 10 THR H 1 11 LEU MD2 4.500 . 5.000 4.853 4.686 4.965 . 0 0 "[ . 1 . 2]" 1 1877 2 10 THR H 2 11 LEU MD2 4.500 . 5.000 4.853 4.686 4.965 . 0 0 "[ . 1 . 2]" 1 1878 1 11 LEU HA 1 11 LEU QD 3.800 . 4.300 2.023 2.016 2.031 . 0 0 "[ . 1 . 2]" 1 1879 2 11 LEU HA 2 11 LEU QD 3.800 . 4.300 2.024 2.017 2.036 . 0 0 "[ . 1 . 2]" 1 1880 1 11 LEU HA 1 11 LEU MD2 3.800 . 4.300 2.031 2.024 2.039 . 0 0 "[ . 1 . 2]" 1 1881 2 11 LEU HA 2 11 LEU MD2 3.800 . 4.300 2.032 2.025 2.045 . 0 0 "[ . 1 . 2]" 1 1882 1 11 LEU QD 1 75 VAL HA 4.500 . 5.000 3.389 3.051 3.510 . 0 0 "[ . 1 . 2]" 1 1883 2 11 LEU QD 2 75 VAL HA 4.500 . 5.000 3.390 3.052 3.512 . 0 0 "[ . 1 . 2]" 1 1884 1 11 LEU QD 1 75 VAL QG 3.800 . 4.300 2.473 2.082 2.618 . 0 0 "[ . 1 . 2]" 1 1885 2 11 LEU QD 2 75 VAL QG 3.800 . 4.300 2.473 2.083 2.618 . 0 0 "[ . 1 . 2]" 1 1886 1 11 LEU QD 1 78 VAL MG1 4.500 . 5.000 3.339 3.083 3.528 . 0 0 "[ . 1 . 2]" 1 1887 2 11 LEU QD 2 78 VAL MG1 4.500 . 5.000 3.339 3.083 3.528 . 0 0 "[ . 1 . 2]" 1 1888 1 11 LEU QD 1 78 VAL MG2 3.800 . 4.300 2.425 2.291 2.538 . 0 0 "[ . 1 . 2]" 1 1889 2 11 LEU QD 2 78 VAL MG2 3.800 . 4.300 2.425 2.291 2.538 . 0 0 "[ . 1 . 2]" 1 1890 1 11 LEU QD 1 12 ILE H 4.500 . 5.000 4.004 3.982 4.027 . 0 0 "[ . 1 . 2]" 1 1891 2 11 LEU QD 2 12 ILE H 4.500 . 5.000 4.004 3.983 4.027 . 0 0 "[ . 1 . 2]" 1 1892 1 11 LEU MD1 1 78 VAL MG1 4.500 . 5.000 4.083 3.888 4.258 . 0 0 "[ . 1 . 2]" 1 1893 2 11 LEU MD1 2 78 VAL MG1 4.500 . 5.000 4.083 3.889 4.257 . 0 0 "[ . 1 . 2]" 1 1894 1 11 LEU MD1 1 75 VAL MG2 3.800 . 4.300 2.503 2.096 2.682 . 0 0 "[ . 1 . 2]" 1 1895 2 11 LEU MD1 2 75 VAL MG2 3.800 . 4.300 2.503 2.097 2.682 . 0 0 "[ . 1 . 2]" 1 1896 1 11 LEU MD2 1 78 VAL MG2 3.800 . 4.300 2.976 2.561 3.170 . 0 0 "[ . 1 . 2]" 1 1897 2 11 LEU MD2 2 78 VAL MG2 3.800 . 4.300 2.977 2.561 3.170 . 0 0 "[ . 1 . 2]" 1 1898 1 11 LEU MD2 1 12 ILE H 4.500 . 5.000 4.470 4.441 4.484 . 0 0 "[ . 1 . 2]" 1 1899 2 11 LEU MD2 2 12 ILE H 4.500 . 5.000 4.470 4.447 4.484 . 0 0 "[ . 1 . 2]" 1 1900 1 11 LEU HG 1 75 VAL QG 4.500 . 5.000 4.866 4.523 4.943 . 0 0 "[ . 1 . 2]" 1 1901 2 11 LEU HG 2 75 VAL QG 4.500 . 5.000 4.865 4.522 4.943 . 0 0 "[ . 1 . 2]" 1 1902 1 11 LEU HG 1 75 VAL MG2 4.500 . 5.000 4.940 4.570 5.018 0.018 13 0 "[ . 1 . 2]" 1 1903 2 11 LEU HG 2 75 VAL MG2 4.500 . 5.000 4.938 4.570 5.019 0.019 13 0 "[ . 1 . 2]" 1 1904 1 17 ALA HA 1 21 LYS QB 4.500 . 5.000 4.778 4.611 4.801 . 0 0 "[ . 1 . 2]" 1 1905 2 17 ALA HA 2 21 LYS QB 4.500 . 5.000 4.779 4.611 4.802 . 0 0 "[ . 1 . 2]" 1 1906 1 17 ALA HA 1 21 LYS HB2 4.500 . 5.000 5.001 4.862 5.014 0.014 18 0 "[ . 1 . 2]" 1 1907 2 17 ALA HA 2 21 LYS HB2 4.500 . 5.000 5.001 4.862 5.014 0.014 18 0 "[ . 1 . 2]" 1 1908 1 17 ALA MB 1 21 LYS HB2 4.500 . 5.000 4.589 4.425 4.714 . 0 0 "[ . 1 . 2]" 1 1909 2 17 ALA MB 2 21 LYS HB2 4.500 . 5.000 4.589 4.427 4.722 . 0 0 "[ . 1 . 2]" 1 1910 1 21 LYS QB 1 22 GLU QG 4.500 . 5.000 2.703 2.632 2.765 . 0 0 "[ . 1 . 2]" 1 1911 2 21 LYS QB 2 22 GLU QG 4.500 . 5.000 2.702 2.633 2.765 . 0 0 "[ . 1 . 2]" 1 1912 1 21 LYS QB 1 22 GLU H 3.800 . 4.300 2.574 2.520 2.635 . 0 0 "[ . 1 . 2]" 1 1913 2 21 LYS QB 2 22 GLU H 3.800 . 4.300 2.574 2.520 2.635 . 0 0 "[ . 1 . 2]" 1 1914 1 21 LYS HB3 1 22 GLU H 3.800 . 4.300 2.612 2.554 2.676 . 0 0 "[ . 1 . 2]" 1 1915 2 21 LYS HB3 2 22 GLU H 3.800 . 4.300 2.612 2.554 2.676 . 0 0 "[ . 1 . 2]" 1 1916 1 21 LYS HB2 1 22 GLU QG 4.500 . 5.000 4.191 4.135 4.252 . 0 0 "[ . 1 . 2]" 1 1917 2 21 LYS HB2 2 22 GLU QG 4.500 . 5.000 4.190 4.136 4.253 . 0 0 "[ . 1 . 2]" 1 1918 1 30 LYS QB 1 58 MET QG 4.500 . 5.000 4.395 3.844 4.868 . 0 0 "[ . 1 . 2]" 1 1919 2 30 LYS QB 2 58 MET QG 4.500 . 5.000 4.395 3.844 4.868 . 0 0 "[ . 1 . 2]" 1 1920 1 30 LYS QB 1 58 MET HG3 4.500 . 5.000 4.575 3.945 5.017 0.017 20 0 "[ . 1 . 2]" 1 1921 2 30 LYS QB 2 58 MET HG3 4.500 . 5.000 4.574 3.945 5.017 0.017 20 0 "[ . 1 . 2]" 1 1922 1 30 LYS QD 1 58 MET QG 4.500 . 5.000 3.032 2.231 4.065 . 0 0 "[ . 1 . 2]" 1 1923 2 30 LYS QD 2 58 MET QG 4.500 . 5.000 3.032 2.230 4.064 . 0 0 "[ . 1 . 2]" 1 1924 1 30 LYS QD 1 58 MET HG3 4.500 . 5.000 3.114 2.249 4.411 . 0 0 "[ . 1 . 2]" 1 1925 2 30 LYS QD 2 58 MET HG3 4.500 . 5.000 3.114 2.248 4.410 . 0 0 "[ . 1 . 2]" 1 1926 1 30 LYS HD3 1 58 MET HG3 5.200 . 5.700 4.068 2.398 5.720 0.020 4 0 "[ . 1 . 2]" 1 1927 2 30 LYS HD3 2 58 MET HG3 5.200 . 5.700 4.069 2.400 5.721 0.021 4 0 "[ . 1 . 2]" 1 1928 1 30 LYS HD2 1 58 MET HG3 5.200 . 5.700 3.540 2.270 4.773 . 0 0 "[ . 1 . 2]" 1 1929 2 30 LYS HD2 2 58 MET HG3 5.200 . 5.700 3.540 2.269 4.774 . 0 0 "[ . 1 . 2]" 1 1930 1 30 LYS QE 1 58 MET QG 4.500 . 5.000 2.466 1.966 3.551 . 0 0 "[ . 1 . 2]" 1 1931 2 30 LYS QE 2 58 MET QG 4.500 . 5.000 2.466 1.966 3.551 . 0 0 "[ . 1 . 2]" 1 1932 1 30 LYS HE3 1 58 MET HG2 5.200 . 5.700 3.987 2.543 5.705 0.005 4 0 "[ . 1 . 2]" 1 1933 2 30 LYS HE3 2 58 MET HG2 5.200 . 5.700 3.988 2.544 5.706 0.006 4 0 "[ . 1 . 2]" 1 1934 1 30 LYS HE2 1 58 MET HG2 5.200 . 5.700 4.273 2.776 5.724 0.024 5 0 "[ . 1 . 2]" 1 1935 2 30 LYS HE2 2 58 MET HG2 5.200 . 5.700 4.274 2.777 5.726 0.026 5 0 "[ . 1 . 2]" 1 1936 1 31 LYS HA 1 31 LYS QG 3.800 . 4.300 2.518 2.349 2.777 . 0 0 "[ . 1 . 2]" 1 1937 2 31 LYS HA 2 31 LYS QG 3.800 . 4.300 2.518 2.349 2.777 . 0 0 "[ . 1 . 2]" 1 1938 1 31 LYS QG 1 35 GLU QB 4.500 . 5.000 3.972 3.668 4.518 . 0 0 "[ . 1 . 2]" 1 1939 2 31 LYS QG 2 35 GLU QB 4.500 . 5.000 3.972 3.668 4.518 . 0 0 "[ . 1 . 2]" 1 1940 1 31 LYS HG3 1 35 GLU QB 4.500 . 5.000 4.695 4.034 5.017 0.017 19 0 "[ . 1 . 2]" 1 1941 2 31 LYS HG3 2 35 GLU QB 4.500 . 5.000 4.694 4.034 5.015 0.015 19 0 "[ . 1 . 2]" 1 1942 1 31 LYS H 1 31 LYS HG2 5.200 . 5.700 4.553 4.469 4.666 . 0 0 "[ . 1 . 2]" 1 1943 2 31 LYS H 2 31 LYS HG2 5.200 . 5.700 4.553 4.469 4.667 . 0 0 "[ . 1 . 2]" 1 1944 1 33 LEU QD 1 58 MET QG 5.200 . 5.700 3.385 1.973 4.064 . 0 0 "[ . 1 . 2]" 1 1945 2 33 LEU QD 2 58 MET QG 5.200 . 5.700 3.385 1.972 4.064 . 0 0 "[ . 1 . 2]" 1 1946 1 33 LEU QD 1 58 MET HG3 5.200 . 5.700 3.634 2.071 4.510 . 0 0 "[ . 1 . 2]" 1 1947 2 33 LEU QD 2 58 MET HG3 5.200 . 5.700 3.635 2.071 4.509 . 0 0 "[ . 1 . 2]" 1 1948 1 36 LEU QD 1 37 LEU QD 4.500 . 5.000 2.553 1.850 3.770 . 0 0 "[ . 1 . 2]" 1 1949 2 36 LEU QD 2 37 LEU QD 4.500 . 5.000 2.553 1.850 3.770 . 0 0 "[ . 1 . 2]" 1 1950 1 36 LEU QD 1 37 LEU MD2 4.500 . 5.000 2.684 1.857 4.848 . 0 0 "[ . 1 . 2]" 1 1951 2 36 LEU QD 2 37 LEU MD2 4.500 . 5.000 2.684 1.857 4.848 . 0 0 "[ . 1 . 2]" 1 1952 1 36 LEU HG 1 37 LEU QD 4.500 . 5.000 3.047 2.318 4.067 . 0 0 "[ . 1 . 2]" 1 1953 2 36 LEU HG 2 37 LEU QD 4.500 . 5.000 3.047 2.318 4.068 . 0 0 "[ . 1 . 2]" 1 1954 1 36 LEU HG 1 37 LEU MD2 4.500 . 5.000 3.220 2.336 5.065 0.065 8 0 "[ . 1 . 2]" 1 1955 2 36 LEU HG 2 37 LEU MD2 4.500 . 5.000 3.221 2.336 5.066 0.066 8 0 "[ . 1 . 2]" 1 1956 1 37 LEU HA 1 37 LEU QD 3.800 . 4.300 1.973 1.938 2.077 . 0 0 "[ . 1 . 2]" 1 1957 2 37 LEU HA 2 37 LEU QD 3.800 . 4.300 1.973 1.939 2.077 . 0 0 "[ . 1 . 2]" 1 1958 1 37 LEU QD 1 78 VAL HA 4.500 . 5.000 3.349 2.921 3.782 . 0 0 "[ . 1 . 2]" 1 1959 2 37 LEU QD 2 78 VAL HA 4.500 . 5.000 3.350 2.922 3.782 . 0 0 "[ . 1 . 2]" 1 1960 1 37 LEU QD 1 78 VAL HB 4.500 . 5.000 4.167 3.786 4.687 . 0 0 "[ . 1 . 2]" 1 1961 2 37 LEU QD 2 78 VAL HB 4.500 . 5.000 4.167 3.786 4.688 . 0 0 "[ . 1 . 2]" 1 1962 1 37 LEU QD 1 41 LEU HB2 3.800 . 4.300 3.332 2.212 4.210 . 0 0 "[ . 1 . 2]" 1 1963 2 37 LEU QD 2 41 LEU HB2 3.800 . 4.300 3.332 2.213 4.211 . 0 0 "[ . 1 . 2]" 1 1964 1 37 LEU QD 1 41 LEU QD 4.500 . 5.000 2.714 1.999 3.357 . 0 0 "[ . 1 . 2]" 1 1965 2 37 LEU QD 2 41 LEU QD 4.500 . 5.000 2.714 2.000 3.357 . 0 0 "[ . 1 . 2]" 1 1966 1 37 LEU QD 1 77 LEU QD 5.200 . 5.700 2.197 1.877 2.634 . 0 0 "[ . 1 . 2]" 1 1967 2 37 LEU QD 2 77 LEU QD 5.200 . 5.700 2.197 1.877 2.635 . 0 0 "[ . 1 . 2]" 1 1968 1 37 LEU QD 1 74 TYR HE1 4.500 . 5.000 2.590 2.123 3.912 . 0 0 "[ . 1 . 2]" 1 1969 2 37 LEU QD 2 74 TYR HE1 4.500 . 5.000 2.590 2.124 3.913 . 0 0 "[ . 1 . 2]" 1 1970 1 37 LEU QD 1 78 VAL MG1 3.800 . 4.300 2.531 2.118 3.117 . 0 0 "[ . 1 . 2]" 1 1971 2 37 LEU QD 2 78 VAL MG1 3.800 . 4.300 2.531 2.119 3.117 . 0 0 "[ . 1 . 2]" 1 1972 1 37 LEU QD 1 38 GLN H 4.500 . 5.000 3.882 3.748 4.181 . 0 0 "[ . 1 . 2]" 1 1973 2 37 LEU QD 2 38 GLN H 4.500 . 5.000 3.882 3.748 4.182 . 0 0 "[ . 1 . 2]" 1 1974 1 37 LEU MD1 1 78 VAL HA 4.500 . 5.000 3.490 2.951 3.903 . 0 0 "[ . 1 . 2]" 1 1975 2 37 LEU MD1 2 78 VAL HA 4.500 . 5.000 3.490 2.953 3.903 . 0 0 "[ . 1 . 2]" 1 1976 1 37 LEU MD1 1 78 VAL HB 4.500 . 5.000 4.479 3.904 5.014 0.014 16 0 "[ . 1 . 2]" 1 1977 2 37 LEU MD1 2 78 VAL HB 4.500 . 5.000 4.479 3.906 5.014 0.014 16 0 "[ . 1 . 2]" 1 1978 1 37 LEU MD1 1 41 LEU HB2 3.800 . 4.300 3.621 2.220 4.318 0.018 16 0 "[ . 1 . 2]" 1 1979 2 37 LEU MD1 2 41 LEU HB2 3.800 . 4.300 3.621 2.220 4.319 0.019 1 0 "[ . 1 . 2]" 1 1980 1 37 LEU MD1 1 78 VAL MG1 3.800 . 4.300 2.770 2.149 3.441 . 0 0 "[ . 1 . 2]" 1 1981 2 37 LEU MD1 2 78 VAL MG1 3.800 . 4.300 2.770 2.150 3.441 . 0 0 "[ . 1 . 2]" 1 1982 1 37 LEU MD2 1 41 LEU QD 5.200 . 5.700 4.076 2.633 5.095 . 0 0 "[ . 1 . 2]" 1 1983 2 37 LEU MD2 2 41 LEU QD 5.200 . 5.700 4.076 2.633 5.095 . 0 0 "[ . 1 . 2]" 1 1984 1 37 LEU MD2 1 77 LEU QD 5.200 . 5.700 2.792 2.112 3.348 . 0 0 "[ . 1 . 2]" 1 1985 2 37 LEU MD2 2 77 LEU QD 5.200 . 5.700 2.792 2.112 3.348 . 0 0 "[ . 1 . 2]" 1 1986 1 37 LEU MD2 1 74 TYR HE1 4.500 . 5.000 2.690 2.135 4.260 . 0 0 "[ . 1 . 2]" 1 1987 2 37 LEU MD2 2 74 TYR HE1 4.500 . 5.000 2.690 2.135 4.260 . 0 0 "[ . 1 . 2]" 1 1988 1 37 LEU MD2 1 78 VAL MG1 4.500 . 5.000 3.179 2.184 3.564 . 0 0 "[ . 1 . 2]" 1 1989 2 37 LEU MD2 2 78 VAL MG1 4.500 . 5.000 3.179 2.184 3.564 . 0 0 "[ . 1 . 2]" 1 1990 1 37 LEU MD2 1 38 GLN H 4.500 . 5.000 4.131 3.920 4.581 . 0 0 "[ . 1 . 2]" 1 1991 2 37 LEU MD2 2 38 GLN H 4.500 . 5.000 4.131 3.920 4.581 . 0 0 "[ . 1 . 2]" 1 1992 1 37 LEU H 1 37 LEU QD 3.800 . 4.300 2.208 1.815 3.585 . 0 0 "[ . 1 . 2]" 1 1993 2 37 LEU H 2 37 LEU QD 3.800 . 4.300 2.208 1.815 3.584 . 0 0 "[ . 1 . 2]" 1 1994 1 44 PHE QB 1 47 ALA MB 5.200 . 5.700 4.167 3.692 4.462 . 0 0 "[ . 1 . 2]" 1 1995 2 44 PHE QB 2 47 ALA MB 5.200 . 5.700 4.167 3.691 4.462 . 0 0 "[ . 1 . 2]" 1 1996 1 44 PHE QB 1 45 LEU QB 4.500 . 5.000 4.057 3.762 4.485 . 0 0 "[ . 1 . 2]" 1 1997 2 44 PHE QB 2 45 LEU QB 4.500 . 5.000 4.057 3.761 4.486 . 0 0 "[ . 1 . 2]" 1 1998 1 44 PHE QB 1 45 LEU QD 4.500 . 5.000 4.213 2.246 4.709 . 0 0 "[ . 1 . 2]" 1 1999 2 44 PHE QB 2 45 LEU QD 4.500 . 5.000 4.213 2.247 4.709 . 0 0 "[ . 1 . 2]" 1 2000 1 44 PHE QB 1 45 LEU H 4.500 . 5.000 2.505 2.398 2.621 . 0 0 "[ . 1 . 2]" 1 2001 2 44 PHE QB 2 45 LEU H 4.500 . 5.000 2.505 2.397 2.621 . 0 0 "[ . 1 . 2]" 1 2002 1 44 PHE HB3 1 45 LEU QB 4.500 . 5.000 4.171 3.845 4.636 . 0 0 "[ . 1 . 2]" 1 2003 2 44 PHE HB3 2 45 LEU QB 4.500 . 5.000 4.171 3.845 4.636 . 0 0 "[ . 1 . 2]" 1 2004 1 44 PHE HB3 1 45 LEU QD 4.500 . 5.000 4.356 2.263 4.891 . 0 0 "[ . 1 . 2]" 1 2005 2 44 PHE HB3 2 45 LEU QD 4.500 . 5.000 4.356 2.263 4.891 . 0 0 "[ . 1 . 2]" 1 2006 1 44 PHE HB3 1 45 LEU H 4.500 . 5.000 2.541 2.426 2.665 . 0 0 "[ . 1 . 2]" 1 2007 2 44 PHE HB3 2 45 LEU H 4.500 . 5.000 2.541 2.425 2.664 . 0 0 "[ . 1 . 2]" 1 2008 1 44 PHE HB2 1 47 ALA MB 5.200 . 5.700 4.631 3.941 5.097 . 0 0 "[ . 1 . 2]" 1 2009 2 44 PHE HB2 2 47 ALA MB 5.200 . 5.700 4.631 3.940 5.096 . 0 0 "[ . 1 . 2]" 1 2010 1 53 ALA HA 1 57 VAL QG 4.500 . 5.000 4.131 3.796 4.851 . 0 0 "[ . 1 . 2]" 1 2011 2 53 ALA HA 2 57 VAL QG 4.500 . 5.000 4.131 3.796 4.852 . 0 0 "[ . 1 . 2]" 1 2012 1 53 ALA HA 1 57 VAL MG1 4.500 . 5.000 4.302 3.954 5.021 0.021 16 0 "[ . 1 . 2]" 1 2013 2 53 ALA HA 2 57 VAL MG1 4.500 . 5.000 4.302 3.954 5.021 0.021 16 0 "[ . 1 . 2]" 1 2014 1 53 ALA MB 1 57 VAL QG 4.500 . 5.000 3.094 2.860 4.015 . 0 0 "[ . 1 . 2]" 1 2015 2 53 ALA MB 2 57 VAL QG 4.500 . 5.000 3.094 2.860 4.015 . 0 0 "[ . 1 . 2]" 1 2016 1 53 ALA MB 1 57 VAL MG1 4.500 . 5.000 3.189 2.915 4.209 . 0 0 "[ . 1 . 2]" 1 2017 2 53 ALA MB 2 57 VAL MG1 4.500 . 5.000 3.188 2.916 4.210 . 0 0 "[ . 1 . 2]" 1 2018 1 54 VAL HA 1 57 VAL QG 3.800 . 4.300 2.074 1.974 2.126 . 0 0 "[ . 1 . 2]" 1 2019 2 54 VAL HA 2 57 VAL QG 3.800 . 4.300 2.074 1.975 2.127 . 0 0 "[ . 1 . 2]" 1 2020 1 54 VAL HA 1 57 VAL MG1 . . 4.300 2.895 2.008 3.564 . 0 0 "[ . 1 . 2]" 1 2021 2 54 VAL HA 2 57 VAL MG1 3.800 . 4.300 2.895 2.008 3.564 . 0 0 "[ . 1 . 2]" 1 2022 1 54 VAL H 1 57 VAL QG 4.500 . 5.000 3.950 3.728 4.232 . 0 0 "[ . 1 . 2]" 1 2023 2 54 VAL H 2 57 VAL QG 4.500 . 5.000 3.950 3.728 4.233 . 0 0 "[ . 1 . 2]" 1 2024 1 54 VAL H 1 57 VAL MG1 4.500 . 5.000 4.425 3.944 4.730 . 0 0 "[ . 1 . 2]" 1 2025 2 54 VAL H 2 57 VAL MG1 4.500 . 5.000 4.425 3.944 4.731 . 0 0 "[ . 1 . 2]" 1 2026 1 56 LYS HB2 1 57 VAL QG 4.500 . 5.000 3.280 2.905 4.297 . 0 0 "[ . 1 . 2]" 1 2027 2 56 LYS HB2 2 57 VAL QG 4.500 . 5.000 3.280 2.904 4.296 . 0 0 "[ . 1 . 2]" 1 2028 1 56 LYS HB2 1 57 VAL MG1 4.500 . 5.000 3.387 2.944 4.629 . 0 0 "[ . 1 . 2]" 1 2029 2 56 LYS HB2 2 57 VAL MG1 4.500 . 5.000 3.387 2.944 4.629 . 0 0 "[ . 1 . 2]" 1 2030 1 56 LYS H 1 57 VAL QG 4.500 . 5.000 3.695 3.574 4.046 . 0 0 "[ . 1 . 2]" 1 2031 2 56 LYS H 2 57 VAL QG 4.500 . 5.000 3.696 3.574 4.046 . 0 0 "[ . 1 . 2]" 1 2032 1 57 VAL QG 1 58 MET HA 4.500 . 5.000 3.069 2.971 3.174 . 0 0 "[ . 1 . 2]" 1 2033 2 57 VAL QG 2 58 MET HA 4.500 . 5.000 3.069 2.971 3.174 . 0 0 "[ . 1 . 2]" 1 2034 1 57 VAL QG 1 61 LEU QD 3.800 . 4.300 2.715 1.915 3.306 . 0 0 "[ . 1 . 2]" 1 2035 2 57 VAL QG 2 61 LEU QD 3.800 . 4.300 2.715 1.916 3.305 . 0 0 "[ . 1 . 2]" 1 2036 1 57 VAL MG2 1 58 MET HA 4.500 . 5.000 3.308 3.047 4.211 . 0 0 "[ . 1 . 2]" 1 2037 2 57 VAL MG2 2 58 MET HA 4.500 . 5.000 3.308 3.047 4.210 . 0 0 "[ . 1 . 2]" 1 2038 1 57 VAL MG2 1 61 LEU QD 3.800 . 4.300 2.804 2.015 3.404 . 0 0 "[ . 1 . 2]" 1 2039 2 57 VAL MG2 2 61 LEU QD 3.800 . 4.300 2.803 2.016 3.404 . 0 0 "[ . 1 . 2]" 1 2040 1 57 VAL MG2 1 61 LEU MD1 4.500 . 5.000 3.042 2.025 4.834 . 0 0 "[ . 1 . 2]" 1 2041 2 57 VAL MG2 2 61 LEU MD1 4.500 . 5.000 3.042 2.026 4.834 . 0 0 "[ . 1 . 2]" 1 2042 1 57 VAL MG2 1 61 LEU MD2 4.500 . 5.000 4.114 2.471 4.939 . 0 0 "[ . 1 . 2]" 1 2043 2 57 VAL MG2 2 61 LEU MD2 4.500 . 5.000 4.114 2.470 4.937 . 0 0 "[ . 1 . 2]" 1 2044 1 57 VAL H 1 57 VAL QG 3.800 . 4.300 1.944 1.791 2.418 0.009 15 0 "[ . 1 . 2]" 1 2045 2 57 VAL H 2 57 VAL QG 3.800 . 4.300 1.944 1.791 2.419 0.009 15 0 "[ . 1 . 2]" 1 2046 1 57 VAL H 1 57 VAL MG1 3.800 . 4.300 2.119 1.918 2.454 . 0 0 "[ . 1 . 2]" 1 2047 2 57 VAL H 2 57 VAL MG1 3.800 . 4.300 2.119 1.920 2.455 . 0 0 "[ . 1 . 2]" 1 2048 1 58 MET HA 1 58 MET QG 3.800 . 4.300 2.630 2.356 2.815 . 0 0 "[ . 1 . 2]" 1 2049 2 58 MET HA 2 58 MET QG 3.800 . 4.300 2.629 2.356 2.815 . 0 0 "[ . 1 . 2]" 1 2050 1 58 MET QG 1 69 VAL QG 3.800 . 4.300 3.824 2.786 4.281 . 0 0 "[ . 1 . 2]" 1 2051 2 58 MET QG 2 69 VAL QG 3.800 . 4.300 3.824 2.786 4.281 . 0 0 "[ . 1 . 2]" 1 2052 1 58 MET ME 1 58 MET HG3 3.800 . 4.300 2.283 2.213 2.447 . 0 0 "[ . 1 . 2]" 1 2053 2 58 MET ME 2 58 MET HG3 3.800 . 4.300 2.284 2.213 2.448 . 0 0 "[ . 1 . 2]" 1 2054 1 58 MET HG2 1 69 VAL QG 4.500 . 5.000 4.608 3.529 5.067 0.067 12 0 "[ . 1 . 2]" 1 2055 2 58 MET HG2 2 69 VAL QG 4.500 . 5.000 4.608 3.528 5.066 0.066 12 0 "[ . 1 . 2]" 1 2056 1 58 MET H 1 58 MET QG 4.500 . 5.000 2.800 2.150 3.949 . 0 0 "[ . 1 . 2]" 1 2057 2 58 MET H 2 58 MET QG 4.500 . 5.000 2.800 2.150 3.948 . 0 0 "[ . 1 . 2]" 1 2058 1 58 MET H 1 58 MET HG3 4.500 . 5.000 3.862 3.498 4.550 . 0 0 "[ . 1 . 2]" 1 2059 2 58 MET H 2 58 MET HG3 4.500 . 5.000 3.862 3.496 4.550 . 0 0 "[ . 1 . 2]" 1 2060 1 61 LEU HA 1 76 VAL QG 4.500 . 5.000 4.226 3.546 5.002 0.002 12 0 "[ . 1 . 2]" 1 2061 2 61 LEU HA 2 76 VAL QG 4.500 . 5.000 4.226 3.546 5.002 0.002 12 0 "[ . 1 . 2]" 1 2062 1 61 LEU HA 1 76 VAL MG2 5.200 . 5.700 4.296 3.584 5.100 . 0 0 "[ . 1 . 2]" 1 2063 2 61 LEU HA 2 76 VAL MG2 5.200 . 5.700 4.295 3.584 5.100 . 0 0 "[ . 1 . 2]" 1 2064 1 61 LEU HG 1 76 VAL QG 4.500 . 5.000 4.795 4.162 4.946 . 0 0 "[ . 1 . 2]" 1 2065 2 61 LEU HG 2 76 VAL QG 4.500 . 5.000 4.794 4.163 4.946 . 0 0 "[ . 1 . 2]" 1 2066 1 61 LEU HG 1 76 VAL MG2 4.500 . 5.000 4.869 4.223 5.022 0.022 1 0 "[ . 1 . 2]" 1 2067 2 61 LEU HG 2 76 VAL MG2 4.500 . 5.000 4.869 4.223 5.022 0.022 19 0 "[ . 1 . 2]" 1 2068 1 71 PHE H 1 71 PHE HB2 3.800 . 4.300 2.473 2.436 2.510 . 0 0 "[ . 1 . 2]" 1 2069 2 71 PHE H 2 71 PHE HB2 3.800 . 4.300 2.474 2.436 2.511 . 0 0 "[ . 1 . 2]" 1 2070 1 72 GLN HA 1 75 VAL QG 3.800 . 4.300 2.744 2.595 3.284 . 0 0 "[ . 1 . 2]" 1 2071 2 72 GLN HA 2 75 VAL QG 3.800 . 4.300 2.745 2.596 3.285 . 0 0 "[ . 1 . 2]" 1 2072 1 72 GLN HA 1 75 VAL MG1 . . 4.300 2.820 2.607 3.716 . 0 0 "[ . 1 . 2]" 1 2073 2 72 GLN HA 2 75 VAL MG1 3.800 . 4.300 2.821 2.609 3.716 . 0 0 "[ . 1 . 2]" 1 2074 1 72 GLN QB 1 75 VAL QG 4.500 . 5.000 4.221 4.121 4.577 . 0 0 "[ . 1 . 2]" 1 2075 2 72 GLN QB 2 75 VAL QG 4.500 . 5.000 4.222 4.121 4.577 . 0 0 "[ . 1 . 2]" 1 2076 1 72 GLN QB 1 75 VAL MG1 4.500 . 5.000 4.350 4.189 5.012 0.012 16 0 "[ . 1 . 2]" 1 2077 2 72 GLN QB 2 75 VAL MG1 4.500 . 5.000 4.351 4.189 5.012 0.012 16 0 "[ . 1 . 2]" 1 2078 1 72 GLN HG2 1 76 VAL MG1 4.500 . 5.000 3.353 2.930 3.546 . 0 0 "[ . 1 . 2]" 1 2079 2 72 GLN HG2 2 76 VAL MG1 4.500 . 5.000 3.353 2.929 3.547 . 0 0 "[ . 1 . 2]" 1 2080 1 73 GLU HA 1 76 VAL QG 3.800 . 4.300 2.136 2.077 2.164 . 0 0 "[ . 1 . 2]" 1 2081 2 73 GLU HA 2 76 VAL QG 3.800 . 4.300 2.136 2.076 2.164 . 0 0 "[ . 1 . 2]" 1 2082 1 73 GLU H 1 76 VAL QG 5.200 . 5.700 4.069 4.024 4.125 . 0 0 "[ . 1 . 2]" 1 2083 2 73 GLU H 2 76 VAL QG 5.200 . 5.700 4.069 4.024 4.126 . 0 0 "[ . 1 . 2]" 1 2084 1 73 GLU H 1 76 VAL MG2 5.200 . 5.700 4.250 4.198 4.313 . 0 0 "[ . 1 . 2]" 1 2085 2 73 GLU H 2 76 VAL MG2 5.200 . 5.700 4.250 4.198 4.313 . 0 0 "[ . 1 . 2]" 1 2086 1 74 TYR HE2 1 75 VAL QG 4.500 . 5.000 4.764 4.202 4.852 . 0 0 "[ . 1 . 2]" 1 2087 2 74 TYR HE2 2 75 VAL QG 4.500 . 5.000 4.761 4.202 4.850 . 0 0 "[ . 1 . 2]" 1 2088 1 74 TYR HE2 1 75 VAL MG2 4.500 . 5.000 4.908 4.266 5.007 0.007 3 0 "[ . 1 . 2]" 1 2089 2 74 TYR HE2 2 75 VAL MG2 4.500 . 5.000 4.904 4.266 5.008 0.008 3 0 "[ . 1 . 2]" 1 2090 1 75 VAL QG 1 76 VAL HA 4.500 . 5.000 3.062 2.956 3.097 . 0 0 "[ . 1 . 2]" 1 2091 2 75 VAL QG 2 76 VAL HA 4.500 . 5.000 3.062 2.957 3.096 . 0 0 "[ . 1 . 2]" 1 2092 1 75 VAL QG 1 76 VAL QG 3.800 . 4.300 2.083 1.959 2.467 . 0 0 "[ . 1 . 2]" 1 2093 2 75 VAL QG 2 76 VAL QG 3.800 . 4.300 2.083 1.960 2.467 . 0 0 "[ . 1 . 2]" 1 2094 1 75 VAL QG 1 77 LEU H 4.500 . 5.000 3.913 3.819 4.356 . 0 0 "[ . 1 . 2]" 1 2095 2 75 VAL QG 2 77 LEU H 4.500 . 5.000 3.914 3.820 4.356 . 0 0 "[ . 1 . 2]" 1 2096 1 75 VAL QG 1 78 VAL H 5.200 . 5.700 4.389 4.331 4.541 . 0 0 "[ . 1 . 2]" 1 2097 2 75 VAL QG 2 78 VAL H 5.200 . 5.700 4.390 4.333 4.541 . 0 0 "[ . 1 . 2]" 1 2098 1 75 VAL QG 1 79 ALA H 4.500 . 5.000 4.159 4.004 4.312 . 0 0 "[ . 1 . 2]" 1 2099 2 75 VAL QG 2 79 ALA H 4.500 . 5.000 4.162 4.007 4.316 . 0 0 "[ . 1 . 2]" 1 2100 1 75 VAL MG1 1 76 VAL HA 4.500 . 5.000 3.155 2.974 3.210 . 0 0 "[ . 1 . 2]" 1 2101 2 75 VAL MG1 2 76 VAL HA 4.500 . 5.000 3.154 2.974 3.210 . 0 0 "[ . 1 . 2]" 1 2102 1 75 VAL MG1 1 76 VAL MG1 3.800 . 4.300 2.129 1.997 2.516 . 0 0 "[ . 1 . 2]" 1 2103 2 75 VAL MG1 2 76 VAL MG1 3.800 . 4.300 2.128 1.998 2.516 . 0 0 "[ . 1 . 2]" 1 2104 1 75 VAL MG1 1 78 VAL H 5.200 . 5.700 4.986 4.860 5.015 . 0 0 "[ . 1 . 2]" 1 2105 2 75 VAL MG1 2 78 VAL H 5.200 . 5.700 4.986 4.860 5.016 . 0 0 "[ . 1 . 2]" 1 2106 1 75 VAL H 1 75 VAL QG 3.800 . 4.300 2.522 2.431 2.815 . 0 0 "[ . 1 . 2]" 1 2107 2 75 VAL H 2 75 VAL QG 3.800 . 4.300 2.524 2.434 2.816 . 0 0 "[ . 1 . 2]" 1 2108 1 75 VAL H 1 76 VAL QG 4.500 . 5.000 3.610 3.570 3.638 . 0 0 "[ . 1 . 2]" 1 2109 2 75 VAL H 2 76 VAL QG 4.500 . 5.000 3.610 3.571 3.639 . 0 0 "[ . 1 . 2]" 1 2110 1 75 VAL H 1 76 VAL MG1 4.500 . 5.000 4.300 4.212 4.452 . 0 0 "[ . 1 . 2]" 1 2111 2 75 VAL H 2 76 VAL MG1 4.500 . 5.000 4.301 4.214 4.452 . 0 0 "[ . 1 . 2]" 1 2112 1 76 VAL QG 1 77 LEU QB 4.500 . 5.000 3.064 3.000 3.169 . 0 0 "[ . 1 . 2]" 1 2113 2 76 VAL QG 2 77 LEU QB 4.500 . 5.000 3.064 2.999 3.168 . 0 0 "[ . 1 . 2]" 1 2114 1 76 VAL QG 1 77 LEU H 3.800 . 4.300 2.096 2.043 2.141 . 0 0 "[ . 1 . 2]" 1 2115 2 76 VAL QG 2 77 LEU H 3.800 . 4.300 2.096 2.043 2.140 . 0 0 "[ . 1 . 2]" 1 2116 1 76 VAL MG2 1 77 LEU QB 4.500 . 5.000 3.086 3.020 3.195 . 0 0 "[ . 1 . 2]" 1 2117 2 76 VAL MG2 2 77 LEU QB 4.500 . 5.000 3.086 3.019 3.194 . 0 0 "[ . 1 . 2]" 1 2118 1 76 VAL H 1 76 VAL QG 3.800 . 4.300 1.857 1.797 1.895 0.003 16 0 "[ . 1 . 2]" 1 2119 2 76 VAL H 2 76 VAL QG 3.800 . 4.300 1.857 1.797 1.895 0.003 16 0 "[ . 1 . 2]" 1 2120 1 76 VAL H 1 76 VAL MG1 3.800 . 4.300 2.288 2.188 2.344 . 0 0 "[ . 1 . 2]" 1 2121 2 76 VAL H 2 76 VAL MG1 3.800 . 4.300 2.288 2.190 2.344 . 0 0 "[ . 1 . 2]" 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 140 _Distance_constraint_stats_list.Viol_count 1310 _Distance_constraint_stats_list.Viol_total 469.497 _Distance_constraint_stats_list.Viol_max 0.070 _Distance_constraint_stats_list.Viol_rms 0.0128 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0084 _Distance_constraint_stats_list.Viol_average_violations_only 0.0179 _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 1 2 SER 0.304 0.026 9 0 "[ . 1 . 2]" 1 3 GLU 0.097 0.027 9 0 "[ . 1 . 2]" 1 4 LEU 0.355 0.046 16 0 "[ . 1 . 2]" 1 6 THR 0.304 0.026 9 0 "[ . 1 . 2]" 1 7 ALA 0.097 0.027 9 0 "[ . 1 . 2]" 1 8 MET 1.595 0.070 13 0 "[ . 1 . 2]" 1 11 LEU 1.665 0.070 13 0 "[ . 1 . 2]" 1 12 ILE 0.129 0.023 12 0 "[ . 1 . 2]" 1 13 ASN 0.423 0.029 11 0 "[ . 1 . 2]" 1 14 VAL 0.037 0.010 15 0 "[ . 1 . 2]" 1 15 PHE 0.552 0.033 12 0 "[ . 1 . 2]" 1 16 HIS 0.347 0.031 15 0 "[ . 1 . 2]" 1 17 ALA 0.423 0.029 11 0 "[ . 1 . 2]" 1 18 HIS 0.037 0.010 15 0 "[ . 1 . 2]" 1 19 SER 0.128 0.020 9 0 "[ . 1 . 2]" 1 20 GLY 0.217 0.031 15 0 "[ . 1 . 2]" 1 29 SER 0.231 0.024 6 0 "[ . 1 . 2]" 1 30 LYS 0.335 0.032 18 0 "[ . 1 . 2]" 1 32 GLU 0.163 0.018 8 0 "[ . 1 . 2]" 1 33 LEU 0.395 0.024 6 0 "[ . 1 . 2]" 1 34 LYS 0.613 0.032 18 0 "[ . 1 . 2]" 1 36 LEU 0.388 0.030 10 0 "[ . 1 . 2]" 1 37 LEU 0.268 0.020 7 0 "[ . 1 . 2]" 1 38 GLN 0.279 0.027 2 0 "[ . 1 . 2]" 1 40 GLU 0.225 0.030 10 0 "[ . 1 . 2]" 1 41 LEU 0.655 0.038 2 0 "[ . 1 . 2]" 1 42 SER 0.265 0.037 16 0 "[ . 1 . 2]" 1 44 PHE 0.551 0.038 2 0 "[ . 1 . 2]" 1 45 LEU 0.265 0.037 16 0 "[ . 1 . 2]" 1 48 GLN 0.431 0.049 2 0 "[ . 1 . 2]" 1 49 LYS 0.155 0.028 2 0 "[ . 1 . 2]" 1 50 ASP 0.395 0.037 9 0 "[ . 1 . 2]" 1 51 VAL 0.593 0.049 2 0 "[ . 1 . 2]" 1 52 ASP 0.617 0.044 2 0 "[ . 1 . 2]" 1 53 ALA 0.960 0.047 12 0 "[ . 1 . 2]" 1 54 VAL 0.161 0.024 9 0 "[ . 1 . 2]" 1 55 ASP 0.462 0.044 2 0 "[ . 1 . 2]" 1 57 VAL 0.564 0.047 12 0 "[ . 1 . 2]" 1 58 MET 0.225 0.045 20 0 "[ . 1 . 2]" 1 62 ASP 0.225 0.045 20 0 "[ . 1 . 2]" 1 70 ASP 0.052 0.013 19 0 "[ . 1 . 2]" 1 71 PHE 0.042 0.010 16 0 "[ . 1 . 2]" 1 73 GLU 0.314 0.028 4 0 "[ . 1 . 2]" 1 74 TYR 0.660 0.050 6 0 "[ . 1 . 2]" 1 75 VAL 0.042 0.010 16 0 "[ . 1 . 2]" 1 77 LEU 0.314 0.028 4 0 "[ . 1 . 2]" 1 78 VAL 1.102 0.050 6 0 "[ . 1 . 2]" 1 81 LEU 1.130 0.050 3 0 "[ . 1 . 2]" 1 82 THR 0.494 0.035 15 0 "[ . 1 . 2]" 1 84 ALA 1.535 0.050 3 0 "[ . 1 . 2]" 1 85 MET 0.192 0.035 20 0 "[ . 1 . 2]" 1 88 PHE 0.853 0.047 6 0 "[ . 1 . 2]" 1 89 PHE 0.192 0.035 20 0 "[ . 1 . 2]" 1 91 GLU 0.448 0.027 20 0 "[ . 1 . 2]" 2 2 SER 0.300 0.026 9 0 "[ . 1 . 2]" 2 3 GLU 0.095 0.027 9 0 "[ . 1 . 2]" 2 4 LEU 0.349 0.046 16 0 "[ . 1 . 2]" 2 6 THR 0.300 0.026 9 0 "[ . 1 . 2]" 2 7 ALA 0.095 0.027 9 0 "[ . 1 . 2]" 2 8 MET 1.594 0.070 13 0 "[ . 1 . 2]" 2 11 LEU 1.661 0.070 13 0 "[ . 1 . 2]" 2 12 ILE 0.131 0.023 12 0 "[ . 1 . 2]" 2 13 ASN 0.425 0.029 18 0 "[ . 1 . 2]" 2 14 VAL 0.034 0.010 15 0 "[ . 1 . 2]" 2 15 PHE 0.542 0.032 4 0 "[ . 1 . 2]" 2 16 HIS 0.345 0.031 15 0 "[ . 1 . 2]" 2 17 ALA 0.425 0.029 18 0 "[ . 1 . 2]" 2 18 HIS 0.034 0.010 15 0 "[ . 1 . 2]" 2 19 SER 0.125 0.020 9 0 "[ . 1 . 2]" 2 20 GLY 0.213 0.031 15 0 "[ . 1 . 2]" 2 29 SER 0.230 0.024 6 0 "[ . 1 . 2]" 2 30 LYS 0.333 0.032 18 0 "[ . 1 . 2]" 2 32 GLU 0.165 0.018 8 0 "[ . 1 . 2]" 2 33 LEU 0.393 0.024 6 0 "[ . 1 . 2]" 2 34 LYS 0.613 0.032 18 0 "[ . 1 . 2]" 2 36 LEU 0.385 0.029 10 0 "[ . 1 . 2]" 2 37 LEU 0.265 0.021 7 0 "[ . 1 . 2]" 2 38 GLN 0.280 0.028 2 0 "[ . 1 . 2]" 2 40 GLU 0.220 0.029 10 0 "[ . 1 . 2]" 2 41 LEU 0.652 0.037 2 0 "[ . 1 . 2]" 2 42 SER 0.269 0.036 16 0 "[ . 1 . 2]" 2 44 PHE 0.550 0.037 2 0 "[ . 1 . 2]" 2 45 LEU 0.269 0.036 16 0 "[ . 1 . 2]" 2 48 GLN 0.430 0.049 2 0 "[ . 1 . 2]" 2 49 LYS 0.155 0.028 2 0 "[ . 1 . 2]" 2 50 ASP 0.388 0.037 9 0 "[ . 1 . 2]" 2 51 VAL 0.592 0.049 2 0 "[ . 1 . 2]" 2 52 ASP 0.620 0.045 2 0 "[ . 1 . 2]" 2 53 ALA 0.953 0.047 12 0 "[ . 1 . 2]" 2 54 VAL 0.163 0.025 9 0 "[ . 1 . 2]" 2 55 ASP 0.465 0.045 2 0 "[ . 1 . 2]" 2 57 VAL 0.564 0.047 12 0 "[ . 1 . 2]" 2 58 MET 0.229 0.046 20 0 "[ . 1 . 2]" 2 62 ASP 0.229 0.046 20 0 "[ . 1 . 2]" 2 70 ASP 0.051 0.014 3 0 "[ . 1 . 2]" 2 71 PHE 0.043 0.010 16 0 "[ . 1 . 2]" 2 73 GLU 0.312 0.029 4 0 "[ . 1 . 2]" 2 74 TYR 0.658 0.051 6 0 "[ . 1 . 2]" 2 75 VAL 0.043 0.010 16 0 "[ . 1 . 2]" 2 77 LEU 0.312 0.029 4 0 "[ . 1 . 2]" 2 78 VAL 1.103 0.051 6 0 "[ . 1 . 2]" 2 81 LEU 1.128 0.051 3 0 "[ . 1 . 2]" 2 82 THR 0.495 0.035 15 0 "[ . 1 . 2]" 2 84 ALA 1.533 0.051 3 0 "[ . 1 . 2]" 2 85 MET 0.193 0.035 20 0 "[ . 1 . 2]" 2 88 PHE 0.855 0.047 6 0 "[ . 1 . 2]" 2 89 PHE 0.193 0.035 20 0 "[ . 1 . 2]" 2 91 GLU 0.450 0.026 20 0 "[ . 1 . 2]" 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 1 2 SER O 1 6 THR H 1.850 . 1.950 1.964 1.919 1.976 0.026 9 0 "[ . 1 . 2]" 2 2 1 2 SER O 1 6 THR N 2.850 2.750 2.950 2.894 2.821 2.916 . 0 0 "[ . 1 . 2]" 2 3 1 3 GLU O 1 7 ALA H 1.850 . 1.950 1.917 1.816 1.970 0.020 7 0 "[ . 1 . 2]" 2 4 1 3 GLU O 1 7 ALA N 2.850 2.750 2.950 2.855 2.723 2.914 0.027 9 0 "[ . 1 . 2]" 2 5 1 4 LEU O 1 8 MET H 1.850 . 1.950 1.960 1.853 1.996 0.046 16 0 "[ . 1 . 2]" 2 6 1 4 LEU O 1 8 MET N 2.850 2.750 2.950 2.882 2.747 2.954 0.004 16 0 "[ . 1 . 2]" 2 7 1 8 MET O 1 11 LEU H 1.850 . 1.950 2.012 1.994 2.020 0.070 13 0 "[ . 1 . 2]" 2 8 1 8 MET O 1 11 LEU N 2.850 2.750 2.950 2.839 2.782 2.886 . 0 0 "[ . 1 . 2]" 2 9 1 11 LEU O 1 15 PHE H 1.850 . 1.950 1.971 1.960 1.983 0.033 12 0 "[ . 1 . 2]" 2 10 1 11 LEU O 1 15 PHE N 2.850 2.750 2.950 2.889 2.855 2.933 . 0 0 "[ . 1 . 2]" 2 11 1 12 ILE O 1 16 HIS H 1.850 . 1.950 1.842 1.769 1.966 0.016 5 0 "[ . 1 . 2]" 2 12 1 12 ILE O 1 16 HIS N 2.850 2.750 2.950 2.805 2.727 2.946 0.023 12 0 "[ . 1 . 2]" 2 13 1 13 ASN O 1 17 ALA H 1.850 . 1.950 1.971 1.964 1.979 0.029 11 0 "[ . 1 . 2]" 2 14 1 13 ASN O 1 17 ALA N 2.850 2.750 2.950 2.913 2.869 2.951 0.001 18 0 "[ . 1 . 2]" 2 15 1 14 VAL O 1 18 HIS H 1.850 . 1.950 1.883 1.785 1.959 0.009 14 0 "[ . 1 . 2]" 2 16 1 14 VAL O 1 18 HIS N 2.850 2.750 2.950 2.816 2.740 2.903 0.010 15 0 "[ . 1 . 2]" 2 17 1 15 PHE O 1 19 SER H 1.850 . 1.950 1.945 1.842 1.970 0.020 9 0 "[ . 1 . 2]" 2 18 1 15 PHE O 1 19 SER N 2.850 2.750 2.950 2.857 2.743 2.911 0.007 12 0 "[ . 1 . 2]" 2 19 1 16 HIS O 1 20 GLY H 1.850 . 1.950 1.960 1.951 1.981 0.031 15 0 "[ . 1 . 2]" 2 20 1 16 HIS O 1 20 GLY N 2.850 2.750 2.950 2.828 2.742 2.891 0.008 9 0 "[ . 1 . 2]" 2 21 1 29 SER O 1 33 LEU H 1.850 . 1.950 1.938 1.814 1.974 0.024 6 0 "[ . 1 . 2]" 2 22 1 29 SER O 1 33 LEU N 2.850 2.750 2.950 2.838 2.735 2.892 0.015 17 0 "[ . 1 . 2]" 2 23 1 30 LYS O 1 34 LYS H 1.850 . 1.950 1.825 1.748 1.982 0.032 18 0 "[ . 1 . 2]" 2 24 1 30 LYS O 1 34 LYS N 2.850 2.750 2.950 2.774 2.720 2.921 0.030 7 0 "[ . 1 . 2]" 2 25 1 32 GLU O 1 36 LEU H 1.850 . 1.950 1.936 1.867 1.968 0.018 8 0 "[ . 1 . 2]" 2 26 1 32 GLU O 1 36 LEU N 2.850 2.750 2.950 2.835 2.748 2.902 0.002 7 0 "[ . 1 . 2]" 2 27 1 33 LEU O 1 37 LEU H 1.850 . 1.950 1.939 1.777 1.968 0.018 5 0 "[ . 1 . 2]" 2 28 1 33 LEU O 1 37 LEU N 2.850 2.750 2.950 2.909 2.745 2.953 0.005 8 0 "[ . 1 . 2]" 2 29 1 34 LYS O 1 38 GLN H 1.850 . 1.950 1.959 1.854 1.977 0.027 2 0 "[ . 1 . 2]" 2 30 1 34 LYS O 1 38 GLN N 2.850 2.750 2.950 2.891 2.747 2.940 0.003 10 0 "[ . 1 . 2]" 2 31 1 36 LEU O 1 40 GLU H 1.850 . 1.950 1.961 1.952 1.980 0.030 10 0 "[ . 1 . 2]" 2 32 1 36 LEU O 1 40 GLU N 2.850 2.750 2.950 2.885 2.859 2.914 . 0 0 "[ . 1 . 2]" 2 33 1 37 LEU O 1 41 LEU H 1.850 . 1.950 1.907 1.839 1.970 0.020 7 0 "[ . 1 . 2]" 2 34 1 37 LEU O 1 41 LEU N 2.850 2.750 2.950 2.785 2.730 2.893 0.020 1 0 "[ . 1 . 2]" 2 35 1 41 LEU O 1 44 PHE H 1.850 . 1.950 1.978 1.963 1.988 0.038 2 0 "[ . 1 . 2]" 2 36 1 41 LEU O 1 44 PHE N 2.850 2.750 2.950 2.865 2.826 2.920 . 0 0 "[ . 1 . 2]" 2 37 1 42 SER O 1 45 LEU H 1.850 . 1.950 1.963 1.935 1.987 0.037 16 0 "[ . 1 . 2]" 2 38 1 42 SER O 1 45 LEU N 2.850 2.750 2.950 2.902 2.871 2.925 . 0 0 "[ . 1 . 2]" 2 39 1 48 GLN O 1 51 VAL H 1.850 . 1.950 1.950 1.770 1.999 0.049 2 0 "[ . 1 . 2]" 2 40 1 48 GLN O 1 51 VAL N 2.850 2.750 2.950 2.850 2.733 2.949 0.017 12 0 "[ . 1 . 2]" 2 41 1 49 LYS O 1 52 ASP H 1.850 . 1.950 1.920 1.809 1.978 0.028 2 0 "[ . 1 . 2]" 2 42 1 49 LYS O 1 52 ASP N 2.850 2.750 2.950 2.805 2.740 2.871 0.010 19 0 "[ . 1 . 2]" 2 43 1 50 ASP O 1 53 ALA H 1.850 . 1.950 1.963 1.932 1.987 0.037 9 0 "[ . 1 . 2]" 2 44 1 50 ASP O 1 53 ALA N 2.850 2.750 2.950 2.820 2.721 2.942 0.029 9 0 "[ . 1 . 2]" 2 45 1 51 VAL O 1 54 VAL H 1.850 . 1.950 1.910 1.873 1.974 0.024 9 0 "[ . 1 . 2]" 2 46 1 51 VAL O 1 54 VAL N 2.850 2.750 2.950 2.764 2.736 2.832 0.014 8 0 "[ . 1 . 2]" 2 47 1 52 ASP O 1 55 ASP H 1.850 . 1.950 1.973 1.954 1.994 0.044 2 0 "[ . 1 . 2]" 2 48 1 52 ASP O 1 55 ASP N 2.850 2.750 2.950 2.832 2.778 2.875 . 0 0 "[ . 1 . 2]" 2 49 1 53 ALA O 1 57 VAL H 1.850 . 1.950 1.978 1.951 1.997 0.047 12 0 "[ . 1 . 2]" 2 50 1 53 ALA O 1 57 VAL N 2.850 2.750 2.950 2.923 2.883 2.960 0.010 6 0 "[ . 1 . 2]" 2 51 1 58 MET O 1 62 ASP H 1.850 . 1.950 1.960 1.920 1.995 0.045 20 0 "[ . 1 . 2]" 2 52 1 58 MET O 1 62 ASP N 2.850 2.750 2.950 2.894 2.860 2.942 . 0 0 "[ . 1 . 2]" 2 53 1 70 ASP O 1 74 TYR H 1.850 . 1.950 1.874 1.784 1.962 0.012 20 0 "[ . 1 . 2]" 2 54 1 70 ASP O 1 74 TYR N 2.850 2.750 2.950 2.815 2.737 2.901 0.013 19 0 "[ . 1 . 2]" 2 55 1 71 PHE O 1 75 VAL H 1.850 . 1.950 1.932 1.874 1.960 0.010 16 0 "[ . 1 . 2]" 2 56 1 71 PHE O 1 75 VAL N 2.850 2.750 2.950 2.883 2.829 2.921 . 0 0 "[ . 1 . 2]" 2 57 1 73 GLU O 1 77 LEU H 1.850 . 1.950 1.966 1.953 1.978 0.028 4 0 "[ . 1 . 2]" 2 58 1 73 GLU O 1 77 LEU N 2.850 2.750 2.950 2.817 2.788 2.879 . 0 0 "[ . 1 . 2]" 2 59 1 74 TYR O 1 78 VAL H 1.850 . 1.950 1.980 1.972 2.000 0.050 6 0 "[ . 1 . 2]" 2 60 1 74 TYR O 1 78 VAL N 2.850 2.750 2.950 2.922 2.904 2.951 0.001 6 0 "[ . 1 . 2]" 2 61 1 78 VAL O 1 82 THR H 1.850 . 1.950 1.975 1.961 1.985 0.035 15 0 "[ . 1 . 2]" 2 62 1 78 VAL O 1 82 THR N 2.850 2.750 2.950 2.873 2.846 2.906 . 0 0 "[ . 1 . 2]" 2 63 1 81 LEU O 1 84 ALA H 1.850 . 1.950 1.990 1.979 2.000 0.050 3 0 "[ . 1 . 2]" 2 64 1 81 LEU O 1 84 ALA N 2.850 2.750 2.950 2.733 2.720 2.745 0.030 3 0 "[ . 1 . 2]" 2 65 1 84 ALA O 1 88 PHE H 1.850 . 1.950 1.970 1.957 1.997 0.047 6 0 "[ . 1 . 2]" 2 66 1 84 ALA O 1 88 PHE N 2.850 2.750 2.950 2.905 2.860 2.955 0.005 8 0 "[ . 1 . 2]" 2 67 1 85 MET O 1 89 PHE H 1.850 . 1.950 1.875 1.770 1.985 0.035 20 0 "[ . 1 . 2]" 2 68 1 85 MET O 1 89 PHE N 2.850 2.750 2.950 2.788 2.716 2.950 0.034 8 0 "[ . 1 . 2]" 2 69 1 88 PHE O 1 91 GLU H 1.850 . 1.950 1.970 1.963 1.977 0.027 20 0 "[ . 1 . 2]" 2 70 1 88 PHE O 1 91 GLU N 2.850 2.750 2.950 2.756 2.740 2.865 0.010 5 0 "[ . 1 . 2]" 2 71 2 2 SER O 2 6 THR H 1.850 . 1.950 1.963 1.919 1.976 0.026 9 0 "[ . 1 . 2]" 2 72 2 2 SER O 2 6 THR N 2.850 2.750 2.950 2.894 2.820 2.916 . 0 0 "[ . 1 . 2]" 2 73 2 3 GLU O 2 7 ALA H 1.850 . 1.950 1.917 1.816 1.969 0.019 7 0 "[ . 1 . 2]" 2 74 2 3 GLU O 2 7 ALA N 2.850 2.750 2.950 2.854 2.723 2.914 0.027 9 0 "[ . 1 . 2]" 2 75 2 4 LEU O 2 8 MET H 1.850 . 1.950 1.961 1.867 1.996 0.046 16 0 "[ . 1 . 2]" 2 76 2 4 LEU O 2 8 MET N 2.850 2.750 2.950 2.882 2.748 2.954 0.004 16 0 "[ . 1 . 2]" 2 77 2 8 MET O 2 11 LEU H 1.850 . 1.950 2.012 1.995 2.020 0.070 13 0 "[ . 1 . 2]" 2 78 2 8 MET O 2 11 LEU N 2.850 2.750 2.950 2.839 2.784 2.885 . 0 0 "[ . 1 . 2]" 2 79 2 11 LEU O 2 15 PHE H 1.850 . 1.950 1.971 1.960 1.982 0.032 4 0 "[ . 1 . 2]" 2 80 2 11 LEU O 2 15 PHE N 2.850 2.750 2.950 2.889 2.855 2.933 . 0 0 "[ . 1 . 2]" 2 81 2 12 ILE O 2 16 HIS H 1.850 . 1.950 1.842 1.769 1.966 0.016 9 0 "[ . 1 . 2]" 2 82 2 12 ILE O 2 16 HIS N 2.850 2.750 2.950 2.805 2.727 2.948 0.023 12 0 "[ . 1 . 2]" 2 83 2 13 ASN O 2 17 ALA H 1.850 . 1.950 1.971 1.965 1.979 0.029 18 0 "[ . 1 . 2]" 2 84 2 13 ASN O 2 17 ALA N 2.850 2.750 2.950 2.913 2.868 2.951 0.001 18 0 "[ . 1 . 2]" 2 85 2 14 VAL O 2 18 HIS H 1.850 . 1.950 1.883 1.783 1.958 0.008 14 0 "[ . 1 . 2]" 2 86 2 14 VAL O 2 18 HIS N 2.850 2.750 2.950 2.815 2.740 2.902 0.010 15 0 "[ . 1 . 2]" 2 87 2 15 PHE O 2 19 SER H 1.850 . 1.950 1.945 1.841 1.970 0.020 9 0 "[ . 1 . 2]" 2 88 2 15 PHE O 2 19 SER N 2.850 2.750 2.950 2.856 2.744 2.912 0.006 12 0 "[ . 1 . 2]" 2 89 2 16 HIS O 2 20 GLY H 1.850 . 1.950 1.960 1.952 1.981 0.031 15 0 "[ . 1 . 2]" 2 90 2 16 HIS O 2 20 GLY N 2.850 2.750 2.950 2.828 2.743 2.891 0.007 9 0 "[ . 1 . 2]" 2 91 2 29 SER O 2 33 LEU H 1.850 . 1.950 1.938 1.816 1.974 0.024 6 0 "[ . 1 . 2]" 2 92 2 29 SER O 2 33 LEU N 2.850 2.750 2.950 2.838 2.736 2.891 0.014 17 0 "[ . 1 . 2]" 2 93 2 30 LYS O 2 34 LYS H 1.850 . 1.950 1.825 1.748 1.982 0.032 18 0 "[ . 1 . 2]" 2 94 2 30 LYS O 2 34 LYS N 2.850 2.750 2.950 2.774 2.721 2.919 0.029 7 0 "[ . 1 . 2]" 2 95 2 32 GLU O 2 36 LEU H 1.850 . 1.950 1.936 1.867 1.968 0.018 8 0 "[ . 1 . 2]" 2 96 2 32 GLU O 2 36 LEU N 2.850 2.750 2.950 2.835 2.747 2.901 0.003 7 0 "[ . 1 . 2]" 2 97 2 33 LEU O 2 37 LEU H 1.850 . 1.950 1.939 1.777 1.969 0.019 5 0 "[ . 1 . 2]" 2 98 2 33 LEU O 2 37 LEU N 2.850 2.750 2.950 2.910 2.745 2.953 0.005 8 0 "[ . 1 . 2]" 2 99 2 34 LYS O 2 38 GLN H 1.850 . 1.950 1.959 1.854 1.978 0.028 2 0 "[ . 1 . 2]" 2 100 2 34 LYS O 2 38 GLN N 2.850 2.750 2.950 2.891 2.746 2.940 0.004 10 0 "[ . 1 . 2]" 2 101 2 36 LEU O 2 40 GLU H 1.850 . 1.950 1.961 1.952 1.979 0.029 10 0 "[ . 1 . 2]" 2 102 2 36 LEU O 2 40 GLU N 2.850 2.750 2.950 2.885 2.859 2.914 . 0 0 "[ . 1 . 2]" 2 103 2 37 LEU O 2 41 LEU H 1.850 . 1.950 1.907 1.840 1.971 0.021 7 0 "[ . 1 . 2]" 2 104 2 37 LEU O 2 41 LEU N 2.850 2.750 2.950 2.785 2.731 2.893 0.019 1 0 "[ . 1 . 2]" 2 105 2 41 LEU O 2 44 PHE H 1.850 . 1.950 1.978 1.963 1.987 0.037 2 0 "[ . 1 . 2]" 2 106 2 41 LEU O 2 44 PHE N 2.850 2.750 2.950 2.865 2.827 2.921 . 0 0 "[ . 1 . 2]" 2 107 2 42 SER O 2 45 LEU H 1.850 . 1.950 1.963 1.936 1.986 0.036 16 0 "[ . 1 . 2]" 2 108 2 42 SER O 2 45 LEU N 2.850 2.750 2.950 2.903 2.871 2.925 . 0 0 "[ . 1 . 2]" 2 109 2 48 GLN O 2 51 VAL H 1.850 . 1.950 1.950 1.770 1.999 0.049 2 0 "[ . 1 . 2]" 2 110 2 48 GLN O 2 51 VAL N 2.850 2.750 2.950 2.850 2.734 2.950 0.016 12 0 "[ . 1 . 2]" 2 111 2 49 LYS O 2 52 ASP H 1.850 . 1.950 1.920 1.810 1.978 0.028 2 0 "[ . 1 . 2]" 2 112 2 49 LYS O 2 52 ASP N 2.850 2.750 2.950 2.805 2.739 2.871 0.011 19 0 "[ . 1 . 2]" 2 113 2 50 ASP O 2 53 ALA H 1.850 . 1.950 1.963 1.932 1.987 0.037 9 0 "[ . 1 . 2]" 2 114 2 50 ASP O 2 53 ALA N 2.850 2.750 2.950 2.820 2.720 2.940 0.030 9 0 "[ . 1 . 2]" 2 115 2 51 VAL O 2 54 VAL H 1.850 . 1.950 1.910 1.873 1.975 0.025 9 0 "[ . 1 . 2]" 2 116 2 51 VAL O 2 54 VAL N 2.850 2.750 2.950 2.764 2.736 2.832 0.014 8 0 "[ . 1 . 2]" 2 117 2 52 ASP O 2 55 ASP H 1.850 . 1.950 1.973 1.952 1.995 0.045 2 0 "[ . 1 . 2]" 2 118 2 52 ASP O 2 55 ASP N 2.850 2.750 2.950 2.832 2.777 2.876 . 0 0 "[ . 1 . 2]" 2 119 2 53 ALA O 2 57 VAL H 1.850 . 1.950 1.978 1.951 1.997 0.047 12 0 "[ . 1 . 2]" 2 120 2 53 ALA O 2 57 VAL N 2.850 2.750 2.950 2.923 2.884 2.960 0.010 6 0 "[ . 1 . 2]" 2 121 2 58 MET O 2 62 ASP H 1.850 . 1.950 1.960 1.920 1.996 0.046 20 0 "[ . 1 . 2]" 2 122 2 58 MET O 2 62 ASP N 2.850 2.750 2.950 2.894 2.860 2.943 . 0 0 "[ . 1 . 2]" 2 123 2 70 ASP O 2 74 TYR H 1.850 . 1.950 1.875 1.785 1.959 0.009 20 0 "[ . 1 . 2]" 2 124 2 70 ASP O 2 74 TYR N 2.850 2.750 2.950 2.816 2.736 2.902 0.014 3 0 "[ . 1 . 2]" 2 125 2 71 PHE O 2 75 VAL H 1.850 . 1.950 1.932 1.874 1.960 0.010 16 0 "[ . 1 . 2]" 2 126 2 71 PHE O 2 75 VAL N 2.850 2.750 2.950 2.884 2.831 2.921 . 0 0 "[ . 1 . 2]" 2 127 2 73 GLU O 2 77 LEU H 1.850 . 1.950 1.966 1.953 1.979 0.029 4 0 "[ . 1 . 2]" 2 128 2 73 GLU O 2 77 LEU N 2.850 2.750 2.950 2.817 2.788 2.879 . 0 0 "[ . 1 . 2]" 2 129 2 74 TYR O 2 78 VAL H 1.850 . 1.950 1.980 1.972 2.001 0.051 6 0 "[ . 1 . 2]" 2 130 2 74 TYR O 2 78 VAL N 2.850 2.750 2.950 2.922 2.904 2.950 0.000 6 0 "[ . 1 . 2]" 2 131 2 78 VAL O 2 82 THR H 1.850 . 1.950 1.975 1.962 1.985 0.035 15 0 "[ . 1 . 2]" 2 132 2 78 VAL O 2 82 THR N 2.850 2.750 2.950 2.873 2.848 2.907 . 0 0 "[ . 1 . 2]" 2 133 2 81 LEU O 2 84 ALA H 1.850 . 1.950 1.990 1.980 2.001 0.051 3 0 "[ . 1 . 2]" 2 134 2 81 LEU O 2 84 ALA N 2.850 2.750 2.950 2.733 2.721 2.745 0.029 3 0 "[ . 1 . 2]" 2 135 2 84 ALA O 2 88 PHE H 1.850 . 1.950 1.970 1.958 1.997 0.047 6 0 "[ . 1 . 2]" 2 136 2 84 ALA O 2 88 PHE N 2.850 2.750 2.950 2.905 2.860 2.955 0.005 8 0 "[ . 1 . 2]" 2 137 2 85 MET O 2 89 PHE H 1.850 . 1.950 1.875 1.771 1.985 0.035 20 0 "[ . 1 . 2]" 2 138 2 85 MET O 2 89 PHE N 2.850 2.750 2.950 2.788 2.717 2.951 0.033 8 0 "[ . 1 . 2]" 2 139 2 88 PHE O 2 91 GLU H 1.850 . 1.950 1.969 1.963 1.976 0.026 20 0 "[ . 1 . 2]" 2 140 2 88 PHE O 2 91 GLU N 2.850 2.750 2.950 2.756 2.741 2.863 0.009 10 0 "[ . 1 . 2]" 2 stop_ save_
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