NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
375263 | 1ezy | 4386 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ezy 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 1354 _Distance_constraint_stats_list.Viol_count 482 _Distance_constraint_stats_list.Viol_total 1010.608 _Distance_constraint_stats_list.Viol_max 0.943 _Distance_constraint_stats_list.Viol_rms 0.0122 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0008 _Distance_constraint_stats_list.Viol_average_violations_only 0.0699 _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 5 VAL 0.673 0.169 28 0 "[ . 1 . 2 . 3]" 1 6 SER 0.174 0.090 16 0 "[ . 1 . 2 . 3]" 1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 9 GLU 0.174 0.090 16 0 "[ . 1 . 2 . 3]" 1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 11 LYS 0.127 0.069 27 0 "[ . 1 . 2 . 3]" 1 12 LYS 0.127 0.069 27 0 "[ . 1 . 2 . 3]" 1 13 TRP 0.243 0.060 15 0 "[ . 1 . 2 . 3]" 1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 16 SER 0.962 0.126 28 0 "[ . 1 . 2 . 3]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 18 GLU 7.344 0.280 14 0 "[ . 1 . 2 . 3]" 1 19 ASN 0.391 0.070 5 0 "[ . 1 . 2 . 3]" 1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 23 HIS 0.180 0.112 13 0 "[ . 1 . 2 . 3]" 1 24 GLU 0.176 0.045 8 0 "[ . 1 . 2 . 3]" 1 25 CYS 0.239 0.112 13 0 "[ . 1 . 2 . 3]" 1 26 GLY 0.047 0.029 20 0 "[ . 1 . 2 . 3]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 28 ALA 0.176 0.045 8 0 "[ . 1 . 2 . 3]" 1 29 ALA 0.912 0.172 13 0 "[ . 1 . 2 . 3]" 1 30 PHE 1.348 0.350 8 0 "[ . 1 . 2 . 3]" 1 31 LYS 0.350 0.350 8 0 "[ . 1 . 2 . 3]" 1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 36 SER 0.019 0.019 28 0 "[ . 1 . 2 . 3]" 1 37 GLU 0.019 0.019 28 0 "[ . 1 . 2 . 3]" 1 38 TYR 3.423 0.565 26 1 "[ . 1 . 2 .+ 3]" 1 39 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 40 GLU 1.389 0.176 29 0 "[ . 1 . 2 . 3]" 1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 42 ASN 0.384 0.103 15 0 "[ . 1 . 2 . 3]" 1 43 ILE 1.686 0.176 29 0 "[ . 1 . 2 . 3]" 1 44 ASP 0.117 0.043 15 0 "[ . 1 . 2 . 3]" 1 45 PHE 0.356 0.070 30 0 "[ . 1 . 2 . 3]" 1 46 TRP 0.117 0.054 27 0 "[ . 1 . 2 . 3]" 1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 51 GLU 0.101 0.036 2 0 "[ . 1 . 2 . 3]" 1 52 TYR 0.291 0.069 5 0 "[ . 1 . 2 . 3]" 1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 56 LYS 1.130 0.136 2 0 "[ . 1 . 2 . 3]" 1 57 SER 2.044 0.136 2 0 "[ . 1 . 2 . 3]" 1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 59 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 61 LEU 0.915 0.081 14 0 "[ . 1 . 2 . 3]" 1 62 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 64 LYS 0.187 0.069 5 0 "[ . 1 . 2 . 3]" 1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 69 TYR 1.847 0.640 11 1 "[ . 1+ . 2 . 3]" 1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 71 GLU 0.620 0.109 25 0 "[ . 1 . 2 . 3]" 1 72 PHE 0.400 0.093 8 0 "[ . 1 . 2 . 3]" 1 73 ILE 3.154 0.943 11 2 "[ . 1+ . - 2 . 3]" 1 74 SER 0.092 0.042 12 0 "[ . 1 . 2 . 3]" 1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 76 GLN 0.617 0.072 25 0 "[ . 1 . 2 . 3]" 1 77 ALA 0.617 0.072 25 0 "[ . 1 . 2 . 3]" 1 78 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 79 LYS 0.011 0.011 7 0 "[ . 1 . 2 . 3]" 1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 82 ASN 0.026 0.012 13 0 "[ . 1 . 2 . 3]" 1 83 LEU 0.355 0.105 3 0 "[ . 1 . 2 . 3]" 1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 85 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 86 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 87 THR 0.321 0.105 3 0 "[ . 1 . 2 . 3]" 1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 91 THR 0.049 0.049 10 0 "[ . 1 . 2 . 3]" 1 92 SER 0.065 0.065 15 0 "[ . 1 . 2 . 3]" 1 93 ARG 0.072 0.065 15 0 "[ . 1 . 2 . 3]" 1 94 ASN 0.007 0.007 6 0 "[ . 1 . 2 . 3]" 1 95 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 96 LEU 0.120 0.120 11 0 "[ . 1 . 2 . 3]" 1 97 GLU 0.120 0.120 11 0 "[ . 1 . 2 . 3]" 1 98 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 99 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 100 ILE 0.003 0.003 10 0 "[ . 1 . 2 . 3]" 1 101 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 102 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 103 PHE 2.496 0.943 11 2 "[ . 1+ . * 2 . 3]" 1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 108 LYS 0.656 0.122 24 0 "[ . 1 . 2 . 3]" 1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 110 ILE 0.356 0.070 30 0 "[ . 1 . 2 . 3]" 1 111 PHE 9.003 0.280 14 0 "[ . 1 . 2 . 3]" 1 112 ASN 0.007 0.007 2 0 "[ . 1 . 2 . 3]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 114 MET 0.005 0.005 19 0 "[ . 1 . 2 . 3]" 1 115 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 117 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 118 SER 0.820 0.170 10 0 "[ . 1 . 2 . 3]" 1 119 TYR 3.255 0.431 28 0 "[ . 1 . 2 . 3]" 1 120 ARG 3.255 0.431 28 0 "[ . 1 . 2 . 3]" 1 121 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 122 PHE 3.426 0.264 18 0 "[ . 1 . 2 . 3]" 1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 124 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 125 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 127 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 128 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 129 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 130 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 132 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 133 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 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 5 VAL HA 1 5 VAL MG1 3.000 . 4.600 2.496 2.225 3.219 . 0 0 "[ . 1 . 2 . 3]" 1 2 1 5 VAL HA 1 5 VAL MG2 3.000 . 4.600 2.391 2.236 2.658 . 0 0 "[ . 1 . 2 . 3]" 1 3 1 5 VAL H 1 5 VAL QG 3.000 . 5.200 2.427 1.858 2.794 . 0 0 "[ . 1 . 2 . 3]" 1 4 1 5 VAL H 1 5 VAL HB 2.500 . 2.900 2.728 2.431 3.069 0.169 28 0 "[ . 1 . 2 . 3]" 1 5 1 5 VAL HB 1 6 SER H 4.000 . 5.000 4.132 3.934 4.319 . 0 0 "[ . 1 . 2 . 3]" 1 6 1 5 VAL QG 1 6 SER H 3.000 . 5.900 2.554 2.063 2.924 . 0 0 "[ . 1 . 2 . 3]" 1 7 1 5 VAL MG1 1 10 VAL MG1 3.000 . 6.300 2.001 1.861 2.329 . 0 0 "[ . 1 . 2 . 3]" 1 8 1 5 VAL MG2 1 10 VAL MG1 4.000 . 8.000 3.349 1.931 3.936 . 0 0 "[ . 1 . 2 . 3]" 1 9 1 5 VAL QG 1 25 CYS QB 3.000 . 6.700 2.381 1.986 2.840 . 0 0 "[ . 1 . 2 . 3]" 1 10 1 5 VAL H 1 10 VAL MG1 4.000 . 6.500 5.177 4.595 5.573 . 0 0 "[ . 1 . 2 . 3]" 1 11 1 5 VAL QG 1 10 VAL HA 4.000 . 7.400 3.765 3.326 4.148 . 0 0 "[ . 1 . 2 . 3]" 1 12 1 5 VAL MG1 1 13 TRP HH2 4.000 . 6.500 2.885 2.221 3.810 . 0 0 "[ . 1 . 2 . 3]" 1 13 1 5 VAL MG2 1 13 TRP HH2 4.000 . 6.500 2.782 2.201 3.975 . 0 0 "[ . 1 . 2 . 3]" 1 14 1 5 VAL MG1 1 13 TRP HZ2 4.000 . 6.500 3.278 2.390 4.784 . 0 0 "[ . 1 . 2 . 3]" 1 15 1 5 VAL MG2 1 13 TRP HZ2 4.000 . 6.500 3.519 2.333 4.568 . 0 0 "[ . 1 . 2 . 3]" 1 16 1 5 VAL MG1 1 23 HIS HE1 4.000 . 6.500 3.872 2.271 5.448 . 0 0 "[ . 1 . 2 . 3]" 1 17 1 5 VAL MG2 1 23 HIS HE1 4.000 . 6.500 3.816 2.314 5.314 . 0 0 "[ . 1 . 2 . 3]" 1 18 1 5 VAL QG 1 131 LEU MD1 4.000 . 8.900 2.316 1.987 2.960 . 0 0 "[ . 1 . 2 . 3]" 1 19 1 5 VAL HB 1 131 LEU MD2 4.000 . 6.500 2.621 2.064 4.197 . 0 0 "[ . 1 . 2 . 3]" 1 20 1 5 VAL HA 1 131 LEU MD2 4.000 . 6.500 4.663 4.026 5.347 . 0 0 "[ . 1 . 2 . 3]" 1 21 1 5 VAL QG 1 9 GLU HB3 3.000 . 5.700 3.101 2.737 3.805 . 0 0 "[ . 1 . 2 . 3]" 1 22 1 5 VAL QG 1 10 VAL HB 4.000 . 7.400 4.248 3.751 4.713 . 0 0 "[ . 1 . 2 . 3]" 1 23 1 5 VAL QG 1 25 CYS H 4.000 . 7.400 4.377 3.898 5.020 . 0 0 "[ . 1 . 2 . 3]" 1 24 1 5 VAL QG 1 26 GLY H 4.000 . 7.400 4.354 3.425 4.765 . 0 0 "[ . 1 . 2 . 3]" 1 25 1 5 VAL QG 1 10 VAL H 4.000 . 7.400 3.031 2.723 3.352 . 0 0 "[ . 1 . 2 . 3]" 1 26 1 6 SER H 1 6 SER HB3 3.000 . 3.500 2.558 2.452 2.717 . 0 0 "[ . 1 . 2 . 3]" 1 27 1 6 SER HB3 1 7 GLN H 4.000 . 5.000 3.973 3.828 4.093 . 0 0 "[ . 1 . 2 . 3]" 1 28 1 6 SER HB2 1 7 GLN H 3.000 . 3.500 2.677 2.414 3.051 . 0 0 "[ . 1 . 2 . 3]" 1 29 1 6 SER H 1 9 GLU HB3 4.000 . 5.000 4.812 4.324 5.090 0.090 16 0 "[ . 1 . 2 . 3]" 1 30 1 6 SER H 1 9 GLU HB2 4.000 . 5.000 3.353 2.930 3.614 . 0 0 "[ . 1 . 2 . 3]" 1 31 1 6 SER HB3 1 8 GLU H 4.000 . 5.000 4.299 4.064 4.645 . 0 0 "[ . 1 . 2 . 3]" 1 32 1 6 SER HB2 1 8 GLU H 3.000 . 3.500 2.796 2.536 3.130 . 0 0 "[ . 1 . 2 . 3]" 1 33 1 6 SER HB2 1 9 GLU H 4.000 . 5.000 3.837 3.154 4.205 . 0 0 "[ . 1 . 2 . 3]" 1 34 1 7 GLN H 1 7 GLN HB2 2.500 . 2.900 2.407 2.312 2.511 . 0 0 "[ . 1 . 2 . 3]" 1 35 1 7 GLN H 1 7 GLN QG 3.000 . 4.500 2.458 2.083 3.289 . 0 0 "[ . 1 . 2 . 3]" 1 36 1 7 GLN HA 1 7 GLN QG 3.000 . 4.100 2.458 2.272 2.917 . 0 0 "[ . 1 . 2 . 3]" 1 37 1 7 GLN HA 1 10 VAL MG1 4.000 . 6.500 3.247 2.368 3.850 . 0 0 "[ . 1 . 2 . 3]" 1 38 1 7 GLN HA 1 10 VAL MG2 4.000 . 6.500 2.192 2.025 2.712 . 0 0 "[ . 1 . 2 . 3]" 1 39 1 7 GLN HB2 1 8 GLU H 3.000 . 3.500 2.969 2.627 3.216 . 0 0 "[ . 1 . 2 . 3]" 1 40 1 7 GLN HB3 1 8 GLU H 4.000 . 5.000 3.854 3.597 4.025 . 0 0 "[ . 1 . 2 . 3]" 1 41 1 7 GLN QG 1 10 VAL MG1 4.000 . 7.500 4.568 3.612 5.240 . 0 0 "[ . 1 . 2 . 3]" 1 42 1 7 GLN QG 1 10 VAL MG2 4.000 . 7.500 3.612 3.143 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 43 1 7 GLN HB3 1 10 VAL MG2 4.000 . 6.500 3.508 3.285 3.708 . 0 0 "[ . 1 . 2 . 3]" 1 44 1 8 GLU H 1 8 GLU QG 3.000 . 4.500 2.321 2.138 3.172 . 0 0 "[ . 1 . 2 . 3]" 1 45 1 8 GLU H 1 8 GLU HB2 2.500 . 2.900 2.420 2.383 2.504 . 0 0 "[ . 1 . 2 . 3]" 1 46 1 8 GLU H 1 8 GLU HB3 4.000 . 5.000 3.606 3.585 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 47 1 8 GLU HB3 1 9 GLU H 4.000 . 5.000 3.617 3.556 3.716 . 0 0 "[ . 1 . 2 . 3]" 1 48 1 8 GLU H 1 9 GLU HB2 4.000 . 5.000 4.784 4.626 4.947 . 0 0 "[ . 1 . 2 . 3]" 1 49 1 9 GLU H 1 9 GLU HB2 2.500 . 2.900 2.367 2.258 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 50 1 9 GLU H 1 9 GLU HB3 4.000 . 5.000 3.595 3.562 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 51 1 9 GLU H 1 9 GLU QG 4.000 . 6.000 2.474 2.210 3.474 . 0 0 "[ . 1 . 2 . 3]" 1 52 1 9 GLU HB3 1 10 VAL H 4.000 . 5.000 3.506 3.274 3.594 . 0 0 "[ . 1 . 2 . 3]" 1 53 1 9 GLU HB2 1 10 VAL H 3.000 . 3.500 2.648 2.341 2.878 . 0 0 "[ . 1 . 2 . 3]" 1 54 1 9 GLU QG 1 10 VAL H 4.000 . 6.000 4.223 3.997 4.633 . 0 0 "[ . 1 . 2 . 3]" 1 55 1 9 GLU HA 1 12 LYS QD 3.000 . 4.300 2.754 2.286 4.110 . 0 0 "[ . 1 . 2 . 3]" 1 56 1 9 GLU HB3 1 10 VAL MG1 4.000 . 6.500 4.090 3.878 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 57 1 9 GLU HB3 1 13 TRP HE1 4.000 . 5.000 3.237 2.243 3.894 . 0 0 "[ . 1 . 2 . 3]" 1 58 1 9 GLU QG 1 13 TRP HE1 4.000 . 6.000 4.799 3.406 5.447 . 0 0 "[ . 1 . 2 . 3]" 1 59 1 9 GLU HA 1 12 LYS QG 4.000 . 6.000 3.091 2.058 4.170 . 0 0 "[ . 1 . 2 . 3]" 1 60 1 10 VAL H 1 10 VAL MG1 2.500 . 4.400 2.103 1.784 2.491 . 0 0 "[ . 1 . 2 . 3]" 1 61 1 10 VAL H 1 10 VAL MG2 2.500 . 4.400 2.034 1.705 2.578 . 0 0 "[ . 1 . 2 . 3]" 1 62 1 10 VAL H 1 10 VAL HB 4.000 . 5.000 3.641 3.617 3.669 . 0 0 "[ . 1 . 2 . 3]" 1 63 1 10 VAL HA 1 10 VAL MG1 3.000 . 4.400 2.354 2.211 2.516 . 0 0 "[ . 1 . 2 . 3]" 1 64 1 10 VAL HB 1 11 LYS H 4.000 . 5.000 3.800 3.564 4.115 . 0 0 "[ . 1 . 2 . 3]" 1 65 1 10 VAL MG2 1 11 LYS H 3.000 . 5.000 2.036 1.829 2.220 . 0 0 "[ . 1 . 2 . 3]" 1 66 1 10 VAL MG2 1 12 LYS H 4.000 . 6.500 4.225 4.061 4.408 . 0 0 "[ . 1 . 2 . 3]" 1 67 1 10 VAL MG2 1 13 TRP H 4.000 . 6.500 4.772 4.599 4.977 . 0 0 "[ . 1 . 2 . 3]" 1 68 1 10 VAL MG1 1 128 TYR QD 4.000 . 6.500 4.071 2.753 5.115 . 0 0 "[ . 1 . 2 . 3]" 1 69 1 10 VAL MG2 1 128 TYR QD 4.000 . 6.500 4.756 4.407 5.056 . 0 0 "[ . 1 . 2 . 3]" 1 70 1 10 VAL MG1 1 128 TYR QE 4.000 . 6.500 4.132 3.394 5.062 . 0 0 "[ . 1 . 2 . 3]" 1 71 1 10 VAL MG2 1 128 TYR QE 3.000 . 4.800 3.761 3.343 3.990 . 0 0 "[ . 1 . 2 . 3]" 1 72 1 10 VAL MG1 1 13 TRP HZ3 4.000 . 6.500 3.211 2.627 4.511 . 0 0 "[ . 1 . 2 . 3]" 1 73 1 10 VAL MG2 1 132 THR HA 4.000 . 6.500 3.293 2.275 4.105 . 0 0 "[ . 1 . 2 . 3]" 1 74 1 10 VAL MG2 1 132 THR HB 4.000 . 6.500 3.514 2.639 4.346 . 0 0 "[ . 1 . 2 . 3]" 1 75 1 10 VAL MG1 1 132 THR MG 4.000 . 8.000 2.501 2.137 3.121 . 0 0 "[ . 1 . 2 . 3]" 1 76 1 10 VAL MG2 1 132 THR MG 3.000 . 6.300 1.972 1.811 2.131 . 0 0 "[ . 1 . 2 . 3]" 1 77 1 10 VAL MG2 1 11 LYS HA 4.000 . 6.500 3.284 2.980 3.609 . 0 0 "[ . 1 . 2 . 3]" 1 78 1 10 VAL MG1 1 131 LEU HB3 4.000 . 6.500 2.380 2.157 3.144 . 0 0 "[ . 1 . 2 . 3]" 1 79 1 10 VAL MG1 1 131 LEU HA 4.000 . 6.500 4.374 4.011 5.041 . 0 0 "[ . 1 . 2 . 3]" 1 80 1 10 VAL MG1 1 131 LEU MD1 3.000 . 6.300 2.800 2.000 3.810 . 0 0 "[ . 1 . 2 . 3]" 1 81 1 10 VAL MG2 1 11 LYS QE 4.000 . 7.500 4.069 3.054 5.386 . 0 0 "[ . 1 . 2 . 3]" 1 82 1 10 VAL QG 1 132 THR H 4.000 . 7.400 3.919 3.656 4.332 . 0 0 "[ . 1 . 2 . 3]" 1 83 1 10 VAL QG 1 133 ASN H 4.000 . 7.400 4.961 4.034 5.579 . 0 0 "[ . 1 . 2 . 3]" 1 84 1 10 VAL HB 1 128 TYR QE 4.000 . 5.000 2.808 2.341 3.716 . 0 0 "[ . 1 . 2 . 3]" 1 85 1 10 VAL HB 1 13 TRP HE3 4.000 . 5.000 3.830 3.336 4.245 . 0 0 "[ . 1 . 2 . 3]" 1 86 1 10 VAL MG2 1 11 LYS QG 4.000 . 7.500 2.453 2.231 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 87 1 11 LYS HA 1 11 LYS QD 3.000 . 4.300 3.334 2.188 4.106 . 0 0 "[ . 1 . 2 . 3]" 1 88 1 11 LYS H 1 11 LYS QE 4.000 . 6.000 4.536 3.581 5.045 . 0 0 "[ . 1 . 2 . 3]" 1 89 1 11 LYS H 1 11 LYS QG 4.000 . 6.000 2.331 2.046 3.402 . 0 0 "[ . 1 . 2 . 3]" 1 90 1 11 LYS QB 1 11 LYS QE 4.000 . 7.000 3.208 2.070 3.784 . 0 0 "[ . 1 . 2 . 3]" 1 91 1 11 LYS QB 1 12 LYS H 4.000 . 6.000 2.669 2.543 2.805 . 0 0 "[ . 1 . 2 . 3]" 1 92 1 11 LYS H 1 12 LYS HB2 4.000 . 5.000 4.838 4.683 5.069 0.069 27 0 "[ . 1 . 2 . 3]" 1 93 1 11 LYS QG 1 12 LYS H 4.000 . 6.000 4.163 3.951 4.537 . 0 0 "[ . 1 . 2 . 3]" 1 94 1 11 LYS HA 1 128 TYR QE 4.000 . 5.000 4.282 3.153 4.901 . 0 0 "[ . 1 . 2 . 3]" 1 95 1 11 LYS HA 1 14 ALA MB 4.000 . 6.500 2.950 2.486 3.460 . 0 0 "[ . 1 . 2 . 3]" 1 96 1 12 LYS H 1 12 LYS QD 4.000 . 6.000 3.633 1.858 4.397 . 0 0 "[ . 1 . 2 . 3]" 1 97 1 12 LYS H 1 12 LYS QG 4.000 . 6.000 2.318 1.791 3.395 . 0 0 "[ . 1 . 2 . 3]" 1 98 1 12 LYS H 1 12 LYS HB3 4.000 . 5.000 3.619 3.586 3.649 . 0 0 "[ . 1 . 2 . 3]" 1 99 1 12 LYS H 1 12 LYS HB2 3.000 . 3.500 2.460 2.313 2.704 . 0 0 "[ . 1 . 2 . 3]" 1 100 1 12 LYS HB2 1 13 TRP H 3.000 . 3.500 2.728 2.516 3.050 . 0 0 "[ . 1 . 2 . 3]" 1 101 1 12 LYS H 1 13 TRP HD1 4.000 . 5.000 4.445 4.276 4.632 . 0 0 "[ . 1 . 2 . 3]" 1 102 1 12 LYS QG 1 13 TRP H 4.000 . 6.000 4.124 3.697 4.619 . 0 0 "[ . 1 . 2 . 3]" 1 103 1 12 LYS QD 1 13 TRP H 4.000 . 6.000 4.820 3.909 5.485 . 0 0 "[ . 1 . 2 . 3]" 1 104 1 12 LYS HA 1 15 GLU QG 4.000 . 6.000 2.670 2.181 3.544 . 0 0 "[ . 1 . 2 . 3]" 1 105 1 13 TRP HA 1 13 TRP HD1 4.000 . 5.000 2.326 2.302 2.398 . 0 0 "[ . 1 . 2 . 3]" 1 106 1 13 TRP H 1 13 TRP HB2 3.000 . 3.500 2.608 2.535 2.682 . 0 0 "[ . 1 . 2 . 3]" 1 107 1 13 TRP H 1 13 TRP HD1 3.000 . 3.500 2.466 2.355 2.594 . 0 0 "[ . 1 . 2 . 3]" 1 108 1 13 TRP HB2 1 14 ALA H 4.000 . 5.000 2.810 2.594 3.093 . 0 0 "[ . 1 . 2 . 3]" 1 109 1 13 TRP HA 1 20 LEU H 4.000 . 5.000 3.093 2.778 3.418 . 0 0 "[ . 1 . 2 . 3]" 1 110 1 13 TRP HB3 1 119 TYR QE 4.000 . 5.000 4.090 3.758 4.363 . 0 0 "[ . 1 . 2 . 3]" 1 111 1 13 TRP HB2 1 123 LEU MD2 4.000 . 6.500 4.230 3.806 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 112 1 13 TRP HH2 1 25 CYS HB3 5.000 3.000 6.000 3.594 2.940 5.236 0.060 15 0 "[ . 1 . 2 . 3]" 1 113 1 13 TRP HZ2 1 25 CYS HB3 4.000 . 5.000 2.791 2.322 4.238 . 0 0 "[ . 1 . 2 . 3]" 1 114 1 13 TRP HE1 1 23 HIS HB3 4.000 . 5.000 2.735 2.135 3.142 . 0 0 "[ . 1 . 2 . 3]" 1 115 1 13 TRP HE1 1 23 HIS HB2 4.000 . 5.000 2.465 1.933 3.144 . 0 0 "[ . 1 . 2 . 3]" 1 116 1 13 TRP HH2 1 29 ALA MB 4.000 . 6.500 2.975 2.445 3.612 . 0 0 "[ . 1 . 2 . 3]" 1 117 1 13 TRP HZ3 1 131 LEU MD1 3.000 . 4.800 2.830 2.123 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 118 1 13 TRP HH2 1 131 LEU MD1 4.000 . 6.500 3.119 2.418 3.964 . 0 0 "[ . 1 . 2 . 3]" 1 119 1 13 TRP HE1 1 23 HIS HD2 4.000 . 5.000 3.506 1.777 5.045 0.045 8 0 "[ . 1 . 2 . 3]" 1 120 1 13 TRP HE1 1 26 GLY H 4.000 . 5.000 4.060 3.453 4.819 . 0 0 "[ . 1 . 2 . 3]" 1 121 1 13 TRP HD1 1 20 LEU H 4.000 . 5.000 3.737 3.326 4.108 . 0 0 "[ . 1 . 2 . 3]" 1 122 1 13 TRP QB 1 128 TYR QE 4.000 . 6.000 2.775 2.407 3.272 . 0 0 "[ . 1 . 2 . 3]" 1 123 1 13 TRP HE3 1 123 LEU MD2 4.000 . 6.500 4.915 4.330 5.332 . 0 0 "[ . 1 . 2 . 3]" 1 124 1 13 TRP HA 1 19 ASN HB2 4.000 . 5.000 2.873 2.369 3.403 . 0 0 "[ . 1 . 2 . 3]" 1 125 1 13 TRP HA 1 20 LEU HA 4.000 . 5.000 3.618 3.264 4.000 . 0 0 "[ . 1 . 2 . 3]" 1 126 1 13 TRP HZ2 1 26 GLY H 4.000 . 5.000 2.854 2.369 3.350 . 0 0 "[ . 1 . 2 . 3]" 1 127 1 13 TRP HH2 1 26 GLY H 4.000 . 5.000 4.458 3.933 5.029 0.029 20 0 "[ . 1 . 2 . 3]" 1 128 1 13 TRP HD1 1 20 LEU HA 4.000 . 5.000 2.973 2.657 3.219 . 0 0 "[ . 1 . 2 . 3]" 1 129 1 14 ALA H 1 14 ALA MB 2.500 . 4.000 2.269 2.174 2.302 . 0 0 "[ . 1 . 2 . 3]" 1 130 1 14 ALA MB 1 15 GLU H 3.000 . 5.000 3.146 3.068 3.232 . 0 0 "[ . 1 . 2 . 3]" 1 131 1 14 ALA H 1 123 LEU MD2 4.000 . 6.500 4.274 4.000 4.583 . 0 0 "[ . 1 . 2 . 3]" 1 132 1 14 ALA H 1 15 GLU HB2 4.000 . 5.000 4.561 4.349 4.765 . 0 0 "[ . 1 . 2 . 3]" 1 133 1 14 ALA H 1 15 GLU QG 4.000 . 6.000 3.930 3.551 5.174 . 0 0 "[ . 1 . 2 . 3]" 1 134 1 14 ALA H 1 19 ASN HB2 5.000 3.000 6.000 5.509 4.860 5.901 . 0 0 "[ . 1 . 2 . 3]" 1 135 1 14 ALA H 1 128 TYR QE 4.000 . 5.000 4.075 3.365 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 136 1 14 ALA MB 1 16 SER H 4.000 . 6.500 4.841 4.691 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 137 1 14 ALA MB 1 128 TYR QE 4.000 . 6.500 3.521 2.542 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 138 1 14 ALA HA 1 123 LEU MD2 3.000 . 4.800 2.949 2.518 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 139 1 14 ALA HA 1 123 LEU MD1 3.000 . 4.800 3.601 3.146 3.919 . 0 0 "[ . 1 . 2 . 3]" 1 140 1 14 ALA MB 1 123 LEU MD2 3.000 . 6.300 2.390 2.074 2.907 . 0 0 "[ . 1 . 2 . 3]" 1 141 1 14 ALA MB 1 123 LEU MD1 3.000 . 6.300 3.344 2.931 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 142 1 15 GLU H 1 15 GLU QG 3.000 . 4.500 2.647 2.339 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 143 1 15 GLU H 1 15 GLU HB2 2.500 . 2.900 2.410 2.292 2.498 . 0 0 "[ . 1 . 2 . 3]" 1 144 1 15 GLU HB2 1 16 SER H 3.000 . 3.500 2.910 2.671 3.148 . 0 0 "[ . 1 . 2 . 3]" 1 145 1 15 GLU QG 1 16 SER H 4.000 . 6.000 4.266 4.051 4.754 . 0 0 "[ . 1 . 2 . 3]" 1 146 1 15 GLU H 1 19 ASN HB2 4.000 . 5.000 4.455 3.858 4.792 . 0 0 "[ . 1 . 2 . 3]" 1 147 1 15 GLU QB 1 16 SER HB2 4.000 . 6.000 4.896 4.855 4.949 . 0 0 "[ . 1 . 2 . 3]" 1 148 1 16 SER H 1 16 SER HB3 4.000 . 5.000 3.575 3.418 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 149 1 16 SER HB3 1 17 LEU H 4.000 . 5.000 3.975 3.741 4.165 . 0 0 "[ . 1 . 2 . 3]" 1 150 1 16 SER HB2 1 17 LEU H 3.000 . 3.500 2.892 2.559 3.065 . 0 0 "[ . 1 . 2 . 3]" 1 151 1 16 SER H 1 119 TYR QE 4.000 . 5.000 3.481 3.115 4.392 . 0 0 "[ . 1 . 2 . 3]" 1 152 1 16 SER H 1 19 ASN HB2 4.000 . 5.000 3.275 2.772 3.692 . 0 0 "[ . 1 . 2 . 3]" 1 153 1 16 SER HB3 1 18 GLU H 4.000 . 5.000 4.592 4.457 4.754 . 0 0 "[ . 1 . 2 . 3]" 1 154 1 16 SER HB2 1 18 GLU H 4.000 . 5.000 2.884 2.760 3.060 . 0 0 "[ . 1 . 2 . 3]" 1 155 1 16 SER HB3 1 19 ASN H 4.000 . 5.000 4.566 4.319 4.852 . 0 0 "[ . 1 . 2 . 3]" 1 156 1 16 SER HB2 1 19 ASN H 4.000 . 5.000 3.506 3.197 3.851 . 0 0 "[ . 1 . 2 . 3]" 1 157 1 16 SER HA 1 119 TYR QE 4.000 . 5.000 3.728 3.381 4.113 . 0 0 "[ . 1 . 2 . 3]" 1 158 1 16 SER HB2 1 18 GLU QG 4.000 . 6.000 3.869 3.521 4.695 . 0 0 "[ . 1 . 2 . 3]" 1 159 1 16 SER HB2 1 18 GLU HB3 4.000 . 5.000 5.014 4.889 5.126 0.126 28 0 "[ . 1 . 2 . 3]" 1 160 1 17 LEU HA 1 17 LEU MD2 4.000 . 6.500 3.824 3.773 3.869 . 0 0 "[ . 1 . 2 . 3]" 1 161 1 17 LEU HA 1 17 LEU MD1 3.000 . 5.000 2.136 2.096 2.311 . 0 0 "[ . 1 . 2 . 3]" 1 162 1 17 LEU H 1 17 LEU MD1 4.000 . 6.500 4.031 3.792 4.121 . 0 0 "[ . 1 . 2 . 3]" 1 163 1 17 LEU H 1 17 LEU MD2 4.000 . 6.500 4.254 4.210 4.316 . 0 0 "[ . 1 . 2 . 3]" 1 164 1 17 LEU H 1 17 LEU HG 4.000 . 5.000 4.450 4.389 4.494 . 0 0 "[ . 1 . 2 . 3]" 1 165 1 17 LEU H 1 17 LEU HB3 3.000 . 3.500 2.510 2.392 2.719 . 0 0 "[ . 1 . 2 . 3]" 1 166 1 17 LEU H 1 17 LEU HB2 3.000 . 3.500 2.530 2.339 2.648 . 0 0 "[ . 1 . 2 . 3]" 1 167 1 17 LEU H 1 119 TYR QE 4.000 . 5.000 3.961 2.433 4.301 . 0 0 "[ . 1 . 2 . 3]" 1 168 1 17 LEU H 1 115 GLU QG 4.000 . 6.000 4.251 3.697 4.787 . 0 0 "[ . 1 . 2 . 3]" 1 169 1 17 LEU MD1 1 18 GLU H 4.000 . 6.500 4.421 4.097 4.762 . 0 0 "[ . 1 . 2 . 3]" 1 170 1 17 LEU MD2 1 18 GLU H 4.000 . 6.500 4.320 4.173 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 171 1 17 LEU HG 1 18 GLU H 4.000 . 5.000 3.698 3.328 4.077 . 0 0 "[ . 1 . 2 . 3]" 1 172 1 17 LEU HB3 1 18 GLU H 4.000 . 5.000 2.593 2.494 2.657 . 0 0 "[ . 1 . 2 . 3]" 1 173 1 111 PHE HA 1 115 GLU H 4.000 . 5.000 3.636 3.429 3.925 . 0 0 "[ . 1 . 2 . 3]" 1 174 1 17 LEU MD2 1 114 MET H 4.000 . 6.500 4.585 4.144 5.004 . 0 0 "[ . 1 . 2 . 3]" 1 175 1 17 LEU MD2 1 115 GLU H 3.000 . 5.000 3.258 2.775 3.845 . 0 0 "[ . 1 . 2 . 3]" 1 176 1 17 LEU MD1 1 119 TYR H 4.000 . 6.500 4.596 3.734 5.262 . 0 0 "[ . 1 . 2 . 3]" 1 177 1 17 LEU HA 1 119 TYR QE 4.000 . 5.000 2.443 2.323 2.704 . 0 0 "[ . 1 . 2 . 3]" 1 178 1 17 LEU MD1 1 21 ILE MD 4.000 . 8.000 3.143 2.221 4.517 . 0 0 "[ . 1 . 2 . 3]" 1 179 1 17 LEU HA 1 20 LEU MD2 4.000 . 6.500 3.807 3.553 4.100 . 0 0 "[ . 1 . 2 . 3]" 1 180 1 17 LEU MD2 1 111 PHE HE2 4.000 . 6.500 3.278 2.815 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 181 1 17 LEU MD2 1 111 PHE HD2 4.000 . 6.500 2.613 2.259 3.023 . 0 0 "[ . 1 . 2 . 3]" 1 182 1 17 LEU MD2 1 111 PHE HA 4.000 . 6.500 2.317 2.107 2.906 . 0 0 "[ . 1 . 2 . 3]" 1 183 1 17 LEU MD1 1 115 GLU HA 4.000 . 6.500 3.288 2.228 4.154 . 0 0 "[ . 1 . 2 . 3]" 1 184 1 17 LEU MD2 1 115 GLU HA 4.000 . 6.500 3.516 2.918 4.423 . 0 0 "[ . 1 . 2 . 3]" 1 185 1 17 LEU MD1 1 115 GLU QG 4.000 . 7.500 3.458 2.245 4.076 . 0 0 "[ . 1 . 2 . 3]" 1 186 1 17 LEU MD2 1 115 GLU QG 4.000 . 7.500 3.314 1.967 4.244 . 0 0 "[ . 1 . 2 . 3]" 1 187 1 17 LEU MD2 1 115 GLU QB 4.000 . 7.500 2.666 2.107 4.184 . 0 0 "[ . 1 . 2 . 3]" 1 188 1 17 LEU MD2 1 114 MET QG 4.000 . 7.500 2.170 1.970 2.806 . 0 0 "[ . 1 . 2 . 3]" 1 189 1 17 LEU MD1 1 114 MET HB2 4.000 . 6.500 3.913 2.630 4.557 . 0 0 "[ . 1 . 2 . 3]" 1 190 1 17 LEU MD2 1 114 MET HB2 4.000 . 6.500 4.192 3.715 4.618 . 0 0 "[ . 1 . 2 . 3]" 1 191 1 17 LEU MD1 1 21 ILE QG 4.000 . 7.500 3.211 2.198 5.392 . 0 0 "[ . 1 . 2 . 3]" 1 192 1 17 LEU MD2 1 21 ILE QG 4.000 . 7.500 4.138 3.438 5.549 . 0 0 "[ . 1 . 2 . 3]" 1 193 1 17 LEU MD1 1 119 TYR HD1 4.000 . 6.500 2.930 2.375 5.623 . 0 0 "[ . 1 . 2 . 3]" 1 194 1 17 LEU MD1 1 119 TYR HA 4.000 . 6.500 4.801 4.468 5.477 . 0 0 "[ . 1 . 2 . 3]" 1 195 1 17 LEU MD1 1 119 TYR QB 4.000 . 7.500 4.178 3.297 5.056 . 0 0 "[ . 1 . 2 . 3]" 1 196 1 17 LEU MD1 1 20 LEU HB3 4.000 . 6.500 2.459 2.213 3.743 . 0 0 "[ . 1 . 2 . 3]" 1 197 1 17 LEU MD1 1 20 LEU HB2 4.000 . 6.500 3.660 3.363 4.681 . 0 0 "[ . 1 . 2 . 3]" 1 198 1 17 LEU MD1 1 21 ILE MG 4.000 . 8.000 3.820 2.078 5.381 . 0 0 "[ . 1 . 2 . 3]" 1 199 1 17 LEU MD2 1 21 ILE MG 4.000 . 8.000 4.179 2.742 5.136 . 0 0 "[ . 1 . 2 . 3]" 1 200 1 17 LEU HG 1 21 ILE MG 4.000 . 6.500 3.812 2.266 4.910 . 0 0 "[ . 1 . 2 . 3]" 1 201 1 17 LEU HA 1 115 GLU QG 4.000 . 6.000 4.569 3.669 5.041 . 0 0 "[ . 1 . 2 . 3]" 1 202 1 17 LEU MD2 1 114 MET ME 3.000 . 6.300 2.494 2.035 3.234 . 0 0 "[ . 1 . 2 . 3]" 1 203 1 17 LEU HG 1 20 LEU MD2 4.000 . 6.500 4.621 3.938 5.160 . 0 0 "[ . 1 . 2 . 3]" 1 204 1 17 LEU HG 1 21 ILE MD 4.000 . 6.500 2.564 2.058 4.061 . 0 0 "[ . 1 . 2 . 3]" 1 205 1 18 GLU H 1 18 GLU HB2 2.500 . 2.900 2.472 2.427 2.570 . 0 0 "[ . 1 . 2 . 3]" 1 206 1 18 GLU H 1 18 GLU HB3 4.000 . 5.000 3.603 3.581 3.623 . 0 0 "[ . 1 . 2 . 3]" 1 207 1 18 GLU H 1 18 GLU QG 3.000 . 4.500 2.153 1.898 2.993 . 0 0 "[ . 1 . 2 . 3]" 1 208 1 18 GLU HB2 1 19 ASN H 2.500 . 2.900 2.617 2.440 2.715 . 0 0 "[ . 1 . 2 . 3]" 1 209 1 18 GLU HB3 1 19 ASN H 4.000 . 5.000 3.562 3.342 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 210 1 18 GLU QG 1 19 ASN H 4.000 . 6.000 4.127 4.019 4.438 . 0 0 "[ . 1 . 2 . 3]" 1 211 1 18 GLU H 1 111 PHE HZ 4.000 . 5.000 5.166 5.054 5.280 0.280 14 0 "[ . 1 . 2 . 3]" 1 212 1 18 GLU H 1 111 PHE HE2 4.000 . 5.000 3.646 3.444 3.829 . 0 0 "[ . 1 . 2 . 3]" 1 213 1 18 GLU H 1 111 PHE HD2 4.000 . 5.000 4.985 4.688 5.133 0.133 30 0 "[ . 1 . 2 . 3]" 1 214 1 18 GLU H 1 19 ASN HB2 4.000 . 5.000 4.969 4.854 5.070 0.070 5 0 "[ . 1 . 2 . 3]" 1 215 1 18 GLU HA 1 21 ILE QG 4.000 . 6.000 3.483 2.194 5.387 . 0 0 "[ . 1 . 2 . 3]" 1 216 1 18 GLU HB2 1 111 PHE HE2 4.000 . 5.000 4.781 4.570 5.033 0.033 5 0 "[ . 1 . 2 . 3]" 1 217 1 18 GLU HA 1 111 PHE HE2 4.000 . 5.000 3.567 3.227 3.977 . 0 0 "[ . 1 . 2 . 3]" 1 218 1 18 GLU QG 1 111 PHE HE2 4.000 . 6.000 2.250 2.092 2.528 . 0 0 "[ . 1 . 2 . 3]" 1 219 1 18 GLU HA 1 21 ILE MD 4.000 . 6.500 3.020 2.339 4.723 . 0 0 "[ . 1 . 2 . 3]" 1 220 1 19 ASN H 1 19 ASN HB2 2.500 . 2.900 2.407 2.330 2.455 . 0 0 "[ . 1 . 2 . 3]" 1 221 1 19 ASN H 1 19 ASN HB3 4.000 . 5.000 3.606 3.587 3.624 . 0 0 "[ . 1 . 2 . 3]" 1 222 1 19 ASN HB2 1 20 LEU H 3.000 . 3.500 2.551 2.446 2.680 . 0 0 "[ . 1 . 2 . 3]" 1 223 1 19 ASN HB3 1 20 LEU H 4.000 . 5.000 3.448 3.332 3.566 . 0 0 "[ . 1 . 2 . 3]" 1 224 1 20 LEU H 1 20 LEU MD1 4.000 . 6.500 4.090 4.044 4.146 . 0 0 "[ . 1 . 2 . 3]" 1 225 1 20 LEU H 1 20 LEU MD2 4.000 . 6.500 4.273 4.203 4.311 . 0 0 "[ . 1 . 2 . 3]" 1 226 1 20 LEU H 1 20 LEU HB3 3.000 . 3.500 2.517 2.398 2.559 . 0 0 "[ . 1 . 2 . 3]" 1 227 1 20 LEU H 1 20 LEU HB2 3.000 . 3.500 2.558 2.520 2.657 . 0 0 "[ . 1 . 2 . 3]" 1 228 1 20 LEU H 1 20 LEU HG 4.000 . 5.000 4.478 4.420 4.498 . 0 0 "[ . 1 . 2 . 3]" 1 229 1 20 LEU HA 1 20 LEU MD1 3.000 . 4.800 2.166 2.109 2.206 . 0 0 "[ . 1 . 2 . 3]" 1 230 1 20 LEU HA 1 20 LEU HG 4.000 . 5.000 3.082 2.971 3.268 . 0 0 "[ . 1 . 2 . 3]" 1 231 1 20 LEU MD2 1 21 ILE H 4.000 . 6.500 4.133 3.866 4.367 . 0 0 "[ . 1 . 2 . 3]" 1 232 1 20 LEU HG 1 21 ILE H 4.000 . 5.000 3.601 3.293 3.801 . 0 0 "[ . 1 . 2 . 3]" 1 233 1 20 LEU QB 1 21 ILE H 4.000 . 6.000 2.451 2.338 2.607 . 0 0 "[ . 1 . 2 . 3]" 1 234 1 20 LEU QB 1 22 ASN H 4.000 . 6.000 4.501 4.388 4.668 . 0 0 "[ . 1 . 2 . 3]" 1 235 1 20 LEU H 1 119 TYR QE 5.000 3.000 6.000 4.197 3.824 5.241 . 0 0 "[ . 1 . 2 . 3]" 1 236 1 20 LEU MD2 1 30 PHE H 4.000 . 6.500 4.768 4.289 5.291 . 0 0 "[ . 1 . 2 . 3]" 1 237 1 20 LEU HG 1 30 PHE H 5.000 3.000 6.000 4.685 4.201 5.135 . 0 0 "[ . 1 . 2 . 3]" 1 238 1 20 LEU MD2 1 119 TYR QE 4.000 . 6.500 2.223 2.042 4.351 . 0 0 "[ . 1 . 2 . 3]" 1 239 1 20 LEU MD2 1 119 TYR HD1 4.000 . 6.500 3.126 2.541 5.335 . 0 0 "[ . 1 . 2 . 3]" 1 240 1 20 LEU HB2 1 119 TYR QE 4.000 . 5.000 2.875 2.297 4.574 . 0 0 "[ . 1 . 2 . 3]" 1 241 1 20 LEU MD1 1 122 PHE QD 4.000 . 6.500 3.656 3.186 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 242 1 20 LEU MD2 1 122 PHE QD 4.000 . 6.500 3.301 2.946 3.599 . 0 0 "[ . 1 . 2 . 3]" 1 243 1 20 LEU MD1 1 122 PHE QE 4.000 . 6.500 2.886 2.173 3.911 . 0 0 "[ . 1 . 2 . 3]" 1 244 1 20 LEU MD2 1 122 PHE QE 4.000 . 6.500 3.182 2.763 3.424 . 0 0 "[ . 1 . 2 . 3]" 1 245 1 20 LEU MD2 1 21 ILE HA 4.000 . 6.500 4.740 4.541 4.993 . 0 0 "[ . 1 . 2 . 3]" 1 246 1 20 LEU HG 1 26 GLY QA 4.000 . 6.000 3.527 2.958 4.121 . 0 0 "[ . 1 . 2 . 3]" 1 247 1 20 LEU QB 1 21 ILE MG 4.000 . 7.500 4.242 2.699 5.199 . 0 0 "[ . 1 . 2 . 3]" 1 248 1 20 LEU MD2 1 21 ILE MG 4.000 . 8.000 4.645 3.052 5.501 . 0 0 "[ . 1 . 2 . 3]" 1 249 1 20 LEU HG 1 21 ILE MG 4.000 . 6.500 4.500 2.986 5.385 . 0 0 "[ . 1 . 2 . 3]" 1 250 1 20 LEU MD1 1 30 PHE HA 4.000 . 6.500 4.115 3.814 4.438 . 0 0 "[ . 1 . 2 . 3]" 1 251 1 20 LEU MD2 1 119 TYR H 4.000 . 6.500 5.119 4.520 5.479 . 0 0 "[ . 1 . 2 . 3]" 1 252 1 20 LEU HG 1 29 ALA MB 4.000 . 6.500 5.173 4.619 5.323 . 0 0 "[ . 1 . 2 . 3]" 1 253 1 20 LEU HG 1 27 LEU MD2 4.000 . 6.500 4.862 4.381 5.220 . 0 0 "[ . 1 . 2 . 3]" 1 254 1 20 LEU MD1 1 29 ALA MB 4.000 . 8.000 3.401 2.947 3.688 . 0 0 "[ . 1 . 2 . 3]" 1 255 1 20 LEU MD2 1 30 PHE HB2 4.000 . 6.500 2.951 2.451 3.558 . 0 0 "[ . 1 . 2 . 3]" 1 256 1 21 ILE H 1 21 ILE QG 3.000 . 4.500 2.291 1.872 3.981 . 0 0 "[ . 1 . 2 . 3]" 1 257 1 21 ILE H 1 21 ILE MG 4.000 . 6.500 3.057 1.964 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 258 1 21 ILE H 1 21 ILE MD 4.000 . 6.500 3.619 3.382 4.316 . 0 0 "[ . 1 . 2 . 3]" 1 259 1 21 ILE HB 1 21 ILE MD 3.000 . 4.800 2.272 2.224 2.407 . 0 0 "[ . 1 . 2 . 3]" 1 260 1 21 ILE HA 1 21 ILE MG 3.000 . 4.400 2.439 2.274 3.184 . 0 0 "[ . 1 . 2 . 3]" 1 261 1 21 ILE HB 1 22 ASN H 4.000 . 5.000 3.482 2.749 4.252 . 0 0 "[ . 1 . 2 . 3]" 1 262 1 21 ILE MD 1 22 ASN H 4.000 . 6.500 4.574 4.064 5.157 . 0 0 "[ . 1 . 2 . 3]" 1 263 1 21 ILE MG 1 22 ASN H 4.000 . 6.500 3.677 2.372 4.093 . 0 0 "[ . 1 . 2 . 3]" 1 264 1 21 ILE HG13 1 22 ASN H 4.000 . 6.000 3.836 2.475 5.239 . 0 0 "[ . 1 . 2 . 3]" 1 265 1 21 ILE HG12 1 22 ASN H 4.000 . 6.000 4.312 2.649 5.215 . 0 0 "[ . 1 . 2 . 3]" 1 266 1 21 ILE MG 1 43 ILE MD 3.000 . 6.300 3.260 2.629 4.421 . 0 0 "[ . 1 . 2 . 3]" 1 267 1 21 ILE MD 1 46 TRP HZ2 4.000 . 6.500 3.627 2.461 4.864 . 0 0 "[ . 1 . 2 . 3]" 1 268 1 21 ILE MD 1 111 PHE HD1 4.000 . 6.500 4.290 3.712 5.077 . 0 0 "[ . 1 . 2 . 3]" 1 269 1 21 ILE MD 1 111 PHE HE1 4.000 . 6.500 2.821 2.349 3.441 . 0 0 "[ . 1 . 2 . 3]" 1 270 1 21 ILE MD 1 43 ILE MD 4.000 . 8.000 3.775 2.121 5.136 . 0 0 "[ . 1 . 2 . 3]" 1 271 1 21 ILE HB 1 27 LEU MD2 4.000 . 6.500 3.636 2.389 4.587 . 0 0 "[ . 1 . 2 . 3]" 1 272 1 21 ILE MG 1 27 LEU MD2 3.000 . 6.300 2.616 2.000 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 273 1 21 ILE HA 1 27 LEU MD2 3.000 . 4.800 2.291 2.092 2.489 . 0 0 "[ . 1 . 2 . 3]" 1 274 1 21 ILE MG 1 30 PHE HD2 4.000 . 6.500 4.195 2.957 5.528 . 0 0 "[ . 1 . 2 . 3]" 1 275 1 21 ILE HB 1 43 ILE MD 4.000 . 6.500 4.792 3.376 5.561 . 0 0 "[ . 1 . 2 . 3]" 1 276 1 21 ILE HB 1 114 MET ME 4.000 . 6.500 4.725 3.219 5.259 . 0 0 "[ . 1 . 2 . 3]" 1 277 1 21 ILE QG 1 114 MET ME 4.000 . 7.500 3.576 2.689 4.840 . 0 0 "[ . 1 . 2 . 3]" 1 278 1 21 ILE MD 1 114 MET ME 4.000 . 8.000 2.646 2.029 3.766 . 0 0 "[ . 1 . 2 . 3]" 1 279 1 21 ILE MG 1 114 MET ME 4.000 . 8.000 3.436 2.051 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 280 1 21 ILE HA 1 114 MET ME 4.000 . 6.500 5.177 4.775 5.544 . 0 0 "[ . 1 . 2 . 3]" 1 281 1 21 ILE MG 1 111 PHE HE2 4.000 . 6.500 5.198 3.835 5.437 . 0 0 "[ . 1 . 2 . 3]" 1 282 1 21 ILE MD 1 46 TRP HE1 4.000 . 6.500 3.759 2.701 4.778 . 0 0 "[ . 1 . 2 . 3]" 1 283 1 21 ILE MG 1 27 LEU HA 4.000 . 6.500 4.585 4.082 5.572 . 0 0 "[ . 1 . 2 . 3]" 1 284 1 21 ILE HA 1 27 LEU HG 4.000 . 5.000 3.023 2.474 3.582 . 0 0 "[ . 1 . 2 . 3]" 1 285 1 22 ASN H 1 22 ASN HB2 2.500 . 2.900 2.424 2.370 2.530 . 0 0 "[ . 1 . 2 . 3]" 1 286 1 22 ASN HB3 1 23 HIS H 4.000 . 5.000 4.197 4.025 4.357 . 0 0 "[ . 1 . 2 . 3]" 1 287 1 22 ASN HB2 1 23 HIS H 4.000 . 5.000 3.484 3.249 3.670 . 0 0 "[ . 1 . 2 . 3]" 1 288 1 22 ASN H 1 23 HIS HB2 4.000 . 5.000 4.531 4.348 4.782 . 0 0 "[ . 1 . 2 . 3]" 1 289 1 23 HIS H 1 23 HIS HB3 3.000 . 3.500 2.628 2.485 2.728 . 0 0 "[ . 1 . 2 . 3]" 1 290 1 23 HIS H 1 23 HIS HB2 3.000 . 3.500 2.705 2.587 2.847 . 0 0 "[ . 1 . 2 . 3]" 1 291 1 23 HIS HB3 1 23 HIS HD2 4.000 . 5.000 3.712 2.874 3.990 . 0 0 "[ . 1 . 2 . 3]" 1 292 1 23 HIS HB2 1 23 HIS HD2 4.000 . 5.000 3.026 2.756 3.562 . 0 0 "[ . 1 . 2 . 3]" 1 293 1 23 HIS HB2 1 24 GLU H 4.000 . 5.000 4.237 4.139 4.320 . 0 0 "[ . 1 . 2 . 3]" 1 294 1 23 HIS H 1 27 LEU H 4.000 . 5.000 3.977 3.795 4.252 . 0 0 "[ . 1 . 2 . 3]" 1 295 1 23 HIS H 1 27 LEU MD2 4.000 . 6.500 4.501 4.181 4.737 . 0 0 "[ . 1 . 2 . 3]" 1 296 1 23 HIS H 1 27 LEU HG 4.000 . 5.000 3.498 3.105 3.722 . 0 0 "[ . 1 . 2 . 3]" 1 297 1 23 HIS H 1 26 GLY QA 4.000 . 6.000 3.727 3.518 4.290 . 0 0 "[ . 1 . 2 . 3]" 1 298 1 23 HIS HE1 1 25 CYS H 4.000 . 5.000 2.892 2.492 3.905 . 0 0 "[ . 1 . 2 . 3]" 1 299 1 23 HIS HB3 1 25 CYS H 4.000 . 5.000 3.779 3.498 4.483 . 0 0 "[ . 1 . 2 . 3]" 1 300 1 23 HIS HB2 1 25 CYS H 4.000 . 5.000 4.802 4.670 5.112 0.112 13 0 "[ . 1 . 2 . 3]" 1 301 1 23 HIS HB3 1 26 GLY H 4.000 . 5.000 2.189 1.967 2.808 . 0 0 "[ . 1 . 2 . 3]" 1 302 1 23 HIS HB2 1 26 GLY H 4.000 . 5.000 3.780 3.638 3.986 . 0 0 "[ . 1 . 2 . 3]" 1 303 1 23 HIS HE1 1 25 CYS HB3 4.000 . 5.000 2.767 2.314 4.585 . 0 0 "[ . 1 . 2 . 3]" 1 304 1 23 HIS HE1 1 25 CYS HB2 4.000 . 5.000 2.892 2.331 4.266 . 0 0 "[ . 1 . 2 . 3]" 1 305 1 23 HIS HE1 1 26 GLY H 4.000 . 5.000 4.138 3.300 4.925 . 0 0 "[ . 1 . 2 . 3]" 1 306 1 24 GLU H 1 24 GLU HB2 2.500 . 2.900 2.510 2.439 2.596 . 0 0 "[ . 1 . 2 . 3]" 1 307 1 24 GLU H 1 24 GLU HG3 4.000 . 6.000 4.454 4.409 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 308 1 24 GLU H 1 24 GLU HG2 4.000 . 6.000 4.532 4.470 4.670 . 0 0 "[ . 1 . 2 . 3]" 1 309 1 24 GLU HB3 1 25 CYS H 3.000 . 3.500 2.615 2.463 2.697 . 0 0 "[ . 1 . 2 . 3]" 1 310 1 24 GLU H 1 27 LEU H 4.000 . 5.000 4.762 4.482 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 311 1 24 GLU HB3 1 28 ALA H 5.000 3.000 6.000 5.977 5.873 6.045 0.045 8 0 "[ . 1 . 2 . 3]" 1 312 1 24 GLU HA 1 27 LEU MD1 3.000 . 4.800 2.585 2.282 2.948 . 0 0 "[ . 1 . 2 . 3]" 1 313 1 24 GLU HB3 1 25 CYS HA 4.000 . 5.000 4.371 4.295 4.429 . 0 0 "[ . 1 . 2 . 3]" 1 314 1 25 CYS HB3 1 26 GLY H 3.000 . 3.500 2.845 2.670 3.023 . 0 0 "[ . 1 . 2 . 3]" 1 315 1 25 CYS HB2 1 28 ALA MB 4.000 . 6.500 4.457 4.182 4.747 . 0 0 "[ . 1 . 2 . 3]" 1 316 1 26 GLY HA3 1 29 ALA MB 4.000 . 7.500 4.090 3.701 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 317 1 26 GLY HA2 1 29 ALA MB 4.000 . 7.500 2.582 2.276 3.015 . 0 0 "[ . 1 . 2 . 3]" 1 318 1 26 GLY H 1 27 LEU HB2 4.000 . 5.000 4.670 4.486 4.759 . 0 0 "[ . 1 . 2 . 3]" 1 319 1 27 LEU HB2 1 27 LEU MD1 3.000 . 4.800 2.277 2.224 2.355 . 0 0 "[ . 1 . 2 . 3]" 1 320 1 27 LEU HB2 1 27 LEU MD2 3.000 . 4.800 3.202 3.182 3.219 . 0 0 "[ . 1 . 2 . 3]" 1 321 1 27 LEU H 1 27 LEU MD2 3.000 . 5.000 3.709 3.549 3.884 . 0 0 "[ . 1 . 2 . 3]" 1 322 1 27 LEU H 1 27 LEU HB2 2.500 . 2.900 2.391 2.313 2.448 . 0 0 "[ . 1 . 2 . 3]" 1 323 1 27 LEU H 1 27 LEU HB3 4.000 . 5.000 3.602 3.584 3.627 . 0 0 "[ . 1 . 2 . 3]" 1 324 1 27 LEU H 1 27 LEU HG 3.000 . 3.300 2.383 2.248 2.582 . 0 0 "[ . 1 . 2 . 3]" 1 325 1 27 LEU HA 1 27 LEU MD2 3.000 . 4.800 2.195 2.144 2.235 . 0 0 "[ . 1 . 2 . 3]" 1 326 1 27 LEU HB2 1 28 ALA H 3.000 . 3.500 2.497 2.346 2.687 . 0 0 "[ . 1 . 2 . 3]" 1 327 1 27 LEU MD1 1 28 ALA H 4.000 . 6.500 4.347 4.215 4.539 . 0 0 "[ . 1 . 2 . 3]" 1 328 1 27 LEU MD2 1 28 ALA H 4.000 . 6.500 4.706 4.589 4.803 . 0 0 "[ . 1 . 2 . 3]" 1 329 1 27 LEU MD2 1 30 PHE H 4.000 . 6.500 5.124 4.778 5.319 . 0 0 "[ . 1 . 2 . 3]" 1 330 1 27 LEU MD1 1 46 TRP HZ3 4.000 . 6.500 4.413 3.246 5.299 . 0 0 "[ . 1 . 2 . 3]" 1 331 1 27 LEU MD2 1 46 TRP HZ3 4.000 . 6.500 3.595 2.684 4.493 . 0 0 "[ . 1 . 2 . 3]" 1 332 1 27 LEU MD2 1 46 TRP HE3 4.000 . 6.500 4.544 3.869 5.185 . 0 0 "[ . 1 . 2 . 3]" 1 333 1 27 LEU MD2 1 30 PHE HD2 4.000 . 6.500 3.512 2.314 5.305 . 0 0 "[ . 1 . 2 . 3]" 1 334 1 27 LEU MD2 1 30 PHE HB3 4.000 . 6.500 3.552 3.316 3.822 . 0 0 "[ . 1 . 2 . 3]" 1 335 1 27 LEU MD2 1 31 LYS H 4.000 . 6.500 4.590 4.161 4.857 . 0 0 "[ . 1 . 2 . 3]" 1 336 1 28 ALA H 1 28 ALA MB 2.500 . 4.000 2.239 2.199 2.263 . 0 0 "[ . 1 . 2 . 3]" 1 337 1 28 ALA MB 1 29 ALA H 2.500 . 4.400 2.339 2.183 2.513 . 0 0 "[ . 1 . 2 . 3]" 1 338 1 28 ALA MB 1 29 ALA HA 4.000 . 6.500 3.818 3.787 3.857 . 0 0 "[ . 1 . 2 . 3]" 1 339 1 28 ALA MB 1 30 PHE H 4.000 . 6.500 4.437 4.263 4.535 . 0 0 "[ . 1 . 2 . 3]" 1 340 1 28 ALA HA 1 31 LYS QD 4.000 . 6.000 3.448 2.590 5.344 . 0 0 "[ . 1 . 2 . 3]" 1 341 1 29 ALA H 1 30 PHE HB2 4.000 . 5.000 4.994 4.803 5.172 0.172 13 0 "[ . 1 . 2 . 3]" 1 342 1 29 ALA MB 1 30 PHE H 2.500 . 4.400 2.442 2.302 2.566 . 0 0 "[ . 1 . 2 . 3]" 1 343 1 29 ALA MB 1 32 ALA MB 4.000 . 8.000 3.948 3.611 4.383 . 0 0 "[ . 1 . 2 . 3]" 1 344 1 29 ALA MB 1 122 PHE HZ 4.000 . 6.500 2.569 2.153 5.210 . 0 0 "[ . 1 . 2 . 3]" 1 345 1 29 ALA MB 1 122 PHE QE 4.000 . 6.500 3.114 2.256 3.871 . 0 0 "[ . 1 . 2 . 3]" 1 346 1 29 ALA MB 1 131 LEU MD1 3.000 . 6.300 3.371 2.426 4.112 . 0 0 "[ . 1 . 2 . 3]" 1 347 1 30 PHE H 1 30 PHE HB3 3.000 . 3.500 2.590 2.274 2.770 . 0 0 "[ . 1 . 2 . 3]" 1 348 1 30 PHE H 1 30 PHE HB2 3.000 . 3.500 2.529 2.388 2.701 . 0 0 "[ . 1 . 2 . 3]" 1 349 1 30 PHE H 1 30 PHE HD1 4.000 . 5.000 4.547 4.317 4.853 . 0 0 "[ . 1 . 2 . 3]" 1 350 1 30 PHE H 1 30 PHE HD2 4.000 . 5.000 4.876 4.447 5.070 0.070 3 0 "[ . 1 . 2 . 3]" 1 351 1 30 PHE HA 1 30 PHE HD1 4.000 . 5.000 2.413 2.250 4.104 . 0 0 "[ . 1 . 2 . 3]" 1 352 1 30 PHE HB3 1 31 LYS H 3.000 . 3.500 2.507 2.325 2.672 . 0 0 "[ . 1 . 2 . 3]" 1 353 1 30 PHE HB2 1 31 LYS H 4.000 . 5.000 3.832 3.738 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 354 1 30 PHE H 1 31 LYS HB2 4.000 . 5.000 4.858 4.661 4.998 . 0 0 "[ . 1 . 2 . 3]" 1 355 1 30 PHE HD2 1 31 LYS H 4.000 . 5.000 3.806 2.690 5.350 0.350 8 0 "[ . 1 . 2 . 3]" 1 356 1 30 PHE HD2 1 43 ILE MD 4.000 . 6.500 2.829 2.174 5.649 . 0 0 "[ . 1 . 2 . 3]" 1 357 1 30 PHE HB2 1 114 MET ME 4.000 . 6.500 5.447 5.195 5.713 . 0 0 "[ . 1 . 2 . 3]" 1 358 1 30 PHE HD2 1 34 LEU QD 4.000 . 6.500 2.787 2.193 3.885 . 0 0 "[ . 1 . 2 . 3]" 1 359 1 30 PHE HA 1 122 PHE QE 4.000 . 5.000 2.390 2.259 2.794 . 0 0 "[ . 1 . 2 . 3]" 1 360 1 31 LYS HB3 1 31 LYS QE 3.000 . 4.500 3.510 2.213 4.186 . 0 0 "[ . 1 . 2 . 3]" 1 361 1 31 LYS H 1 31 LYS QD 3.000 . 4.500 3.771 3.370 4.260 . 0 0 "[ . 1 . 2 . 3]" 1 362 1 31 LYS H 1 31 LYS QG 3.000 . 4.500 2.299 2.210 2.420 . 0 0 "[ . 1 . 2 . 3]" 1 363 1 31 LYS H 1 31 LYS HB2 2.500 . 2.900 2.420 2.371 2.461 . 0 0 "[ . 1 . 2 . 3]" 1 364 1 31 LYS HB3 1 32 ALA H 4.000 . 5.000 3.546 3.365 3.614 . 0 0 "[ . 1 . 2 . 3]" 1 365 1 31 LYS HB2 1 32 ALA H 3.000 . 3.500 2.642 2.453 2.724 . 0 0 "[ . 1 . 2 . 3]" 1 366 1 31 LYS H 1 43 ILE MD 4.000 . 6.500 5.214 4.659 5.371 . 0 0 "[ . 1 . 2 . 3]" 1 367 1 31 LYS HA 1 43 ILE MG 3.000 . 4.800 3.591 3.168 3.836 . 0 0 "[ . 1 . 2 . 3]" 1 368 1 31 LYS HA 1 34 LEU QD 4.000 . 6.500 2.527 2.148 3.583 . 0 0 "[ . 1 . 2 . 3]" 1 369 1 31 LYS QG 1 43 ILE MG 3.000 . 5.800 2.791 2.269 4.099 . 0 0 "[ . 1 . 2 . 3]" 1 370 1 31 LYS HA 1 43 ILE HB 4.000 . 5.000 4.283 3.879 4.811 . 0 0 "[ . 1 . 2 . 3]" 1 371 1 31 LYS HA 1 34 LEU HG 4.000 . 5.000 3.488 2.965 4.435 . 0 0 "[ . 1 . 2 . 3]" 1 372 1 32 ALA H 1 33 PHE H 4.000 . 5.000 2.592 2.478 2.814 . 0 0 "[ . 1 . 2 . 3]" 1 373 1 32 ALA MB 1 127 PHE HZ 4.000 . 6.500 4.451 2.800 5.308 . 0 0 "[ . 1 . 2 . 3]" 1 374 1 33 PHE H 1 33 PHE QD 4.000 . 5.000 4.175 4.052 4.211 . 0 0 "[ . 1 . 2 . 3]" 1 375 1 33 PHE H 1 33 PHE QB 3.000 . 4.100 2.270 2.222 2.313 . 0 0 "[ . 1 . 2 . 3]" 1 376 1 33 PHE QB 1 34 LEU H 3.000 . 4.500 2.540 2.400 2.695 . 0 0 "[ . 1 . 2 . 3]" 1 377 1 33 PHE QD 1 34 LEU H 4.000 . 5.000 3.462 3.194 4.043 . 0 0 "[ . 1 . 2 . 3]" 1 378 1 33 PHE H 1 34 LEU HG 4.000 . 5.000 4.615 4.439 4.863 . 0 0 "[ . 1 . 2 . 3]" 1 379 1 33 PHE QD 1 34 LEU QD 3.000 . 4.800 2.845 2.297 3.551 . 0 0 "[ . 1 . 2 . 3]" 1 380 1 34 LEU HA 1 34 LEU QD 3.000 . 4.800 2.129 2.041 2.227 . 0 0 "[ . 1 . 2 . 3]" 1 381 1 34 LEU H 1 34 LEU QD 4.000 . 6.500 3.127 3.000 3.245 . 0 0 "[ . 1 . 2 . 3]" 1 382 1 34 LEU H 1 34 LEU HB2 3.000 . 3.500 2.474 2.365 2.570 . 0 0 "[ . 1 . 2 . 3]" 1 383 1 34 LEU H 1 34 LEU HB3 4.000 . 5.000 3.631 3.596 3.659 . 0 0 "[ . 1 . 2 . 3]" 1 384 1 34 LEU H 1 34 LEU HG 3.000 . 3.500 2.295 2.133 2.544 . 0 0 "[ . 1 . 2 . 3]" 1 385 1 34 LEU QD 1 35 LYS H 4.000 . 6.500 4.102 4.017 4.224 . 0 0 "[ . 1 . 2 . 3]" 1 386 1 34 LEU HB3 1 35 LYS H 4.000 . 5.000 3.596 3.506 3.732 . 0 0 "[ . 1 . 2 . 3]" 1 387 1 34 LEU HB2 1 35 LYS H 4.000 . 5.000 2.629 2.491 2.830 . 0 0 "[ . 1 . 2 . 3]" 1 388 1 34 LEU HG 1 35 LYS H 4.000 . 5.000 4.364 4.166 4.597 . 0 0 "[ . 1 . 2 . 3]" 1 389 1 34 LEU HB3 1 39 SER H 4.000 . 5.000 3.136 2.632 3.489 . 0 0 "[ . 1 . 2 . 3]" 1 390 1 34 LEU HB3 1 40 GLU H 4.000 . 5.000 3.436 2.823 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 391 1 34 LEU QD 1 42 ASN H 4.000 . 6.500 3.900 3.413 4.686 . 0 0 "[ . 1 . 2 . 3]" 1 392 1 34 LEU QD 1 43 ILE H 4.000 . 6.500 2.807 2.364 3.929 . 0 0 "[ . 1 . 2 . 3]" 1 393 1 34 LEU HB3 1 40 GLU HA 4.000 . 5.000 2.698 2.294 3.778 . 0 0 "[ . 1 . 2 . 3]" 1 394 1 34 LEU QD 1 43 ILE MD 4.000 . 8.000 3.017 2.351 4.304 . 0 0 "[ . 1 . 2 . 3]" 1 395 1 34 LEU QD 1 40 GLU HB3 4.000 . 6.500 4.305 3.561 5.061 . 0 0 "[ . 1 . 2 . 3]" 1 396 1 34 LEU QD 1 43 ILE HB 4.000 . 6.500 2.206 2.006 3.541 . 0 0 "[ . 1 . 2 . 3]" 1 397 1 34 LEU QD 1 37 GLU HB2 4.000 . 6.500 3.536 2.635 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 398 1 34 LEU QD 1 37 GLU QG 4.000 . 7.500 4.586 3.186 5.181 . 0 0 "[ . 1 . 2 . 3]" 1 399 1 34 LEU QD 1 43 ILE MG 3.000 . 6.300 2.610 2.014 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 400 1 34 LEU QD 1 39 SER HB3 4.000 . 6.500 2.734 2.201 3.479 . 0 0 "[ . 1 . 2 . 3]" 1 401 1 34 LEU QD 1 39 SER HB2 4.000 . 6.500 2.602 2.081 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 402 1 34 LEU QD 1 40 GLU HA 4.000 . 6.500 2.650 2.132 3.749 . 0 0 "[ . 1 . 2 . 3]" 1 403 1 35 LYS H 1 35 LYS QB 2.500 . 3.500 2.319 2.194 2.467 . 0 0 "[ . 1 . 2 . 3]" 1 404 1 35 LYS H 1 35 LYS QG 3.000 . 4.500 3.203 2.080 4.092 . 0 0 "[ . 1 . 2 . 3]" 1 405 1 35 LYS HA 1 35 LYS QG 3.000 . 3.900 2.337 2.255 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 406 1 35 LYS QB 1 36 SER H 2.500 . 3.900 2.599 2.509 2.739 . 0 0 "[ . 1 . 2 . 3]" 1 407 1 35 LYS QG 1 36 SER H 4.000 . 6.000 3.925 3.632 4.226 . 0 0 "[ . 1 . 2 . 3]" 1 408 1 35 LYS HA 1 38 TYR HA 4.000 . 5.000 2.978 2.704 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 409 1 36 SER H 1 37 GLU QG 4.000 . 6.000 4.524 4.012 5.517 . 0 0 "[ . 1 . 2 . 3]" 1 410 1 36 SER H 1 37 GLU HB2 4.000 . 5.000 4.863 4.729 5.019 0.019 28 0 "[ . 1 . 2 . 3]" 1 411 1 37 GLU HA 1 37 GLU QG 3.000 . 3.900 2.359 2.294 2.918 . 0 0 "[ . 1 . 2 . 3]" 1 412 1 37 GLU H 1 37 GLU QG 3.000 . 4.500 2.698 2.550 3.425 . 0 0 "[ . 1 . 2 . 3]" 1 413 1 37 GLU H 1 37 GLU HB2 3.000 . 3.500 2.444 2.377 2.540 . 0 0 "[ . 1 . 2 . 3]" 1 414 1 37 GLU HB3 1 39 SER H 4.000 . 5.000 3.968 3.442 4.418 . 0 0 "[ . 1 . 2 . 3]" 1 415 1 37 GLU HB2 1 39 SER H 4.000 . 5.000 3.128 2.695 3.418 . 0 0 "[ . 1 . 2 . 3]" 1 416 1 37 GLU QG 1 39 SER H 4.000 . 6.000 4.931 4.603 5.170 . 0 0 "[ . 1 . 2 . 3]" 1 417 1 37 GLU HB3 1 38 TYR H 4.000 . 5.000 4.287 4.192 4.386 . 0 0 "[ . 1 . 2 . 3]" 1 418 1 37 GLU HB2 1 38 TYR H 4.000 . 5.000 3.634 3.466 3.738 . 0 0 "[ . 1 . 2 . 3]" 1 419 1 37 GLU QG 1 38 TYR H 4.000 . 6.000 4.366 4.273 4.740 . 0 0 "[ . 1 . 2 . 3]" 1 420 1 37 GLU QG 1 39 SER QB 4.000 . 7.000 4.778 4.209 5.336 . 0 0 "[ . 1 . 2 . 3]" 1 421 1 38 TYR H 1 38 TYR HB2 3.000 . 3.500 3.565 3.508 3.642 0.142 10 0 "[ . 1 . 2 . 3]" 1 422 1 38 TYR H 1 38 TYR HD1 4.000 . 5.000 4.154 3.210 4.454 . 0 0 "[ . 1 . 2 . 3]" 1 423 1 38 TYR HA 1 38 TYR HE1 4.000 . 5.000 4.792 4.512 5.565 0.565 26 1 "[ . 1 . 2 .+ 3]" 1 424 1 38 TYR HB3 1 38 TYR HE1 4.000 . 5.000 4.772 4.705 5.455 0.455 26 0 "[ . 1 . 2 . 3]" 1 425 1 38 TYR HB2 1 38 TYR HE2 4.000 . 5.000 4.712 4.665 5.452 0.452 26 0 "[ . 1 . 2 . 3]" 1 426 1 38 TYR HA 1 38 TYR HD2 4.000 . 5.000 4.137 2.912 4.431 . 0 0 "[ . 1 . 2 . 3]" 1 427 1 38 TYR HB3 1 39 SER H 4.000 . 5.000 4.485 4.459 4.513 . 0 0 "[ . 1 . 2 . 3]" 1 428 1 38 TYR HB2 1 39 SER H 4.000 . 5.000 4.104 3.892 4.219 . 0 0 "[ . 1 . 2 . 3]" 1 429 1 39 SER H 1 39 SER QB 3.000 . 4.100 2.581 2.199 3.062 . 0 0 "[ . 1 . 2 . 3]" 1 430 1 39 SER QB 1 40 GLU H 4.000 . 6.000 3.891 3.647 4.040 . 0 0 "[ . 1 . 2 . 3]" 1 431 1 39 SER H 1 40 GLU HB3 4.000 . 5.000 4.514 4.266 4.735 . 0 0 "[ . 1 . 2 . 3]" 1 432 1 40 GLU H 1 40 GLU HB2 4.000 . 5.000 3.625 3.608 3.640 . 0 0 "[ . 1 . 2 . 3]" 1 433 1 40 GLU H 1 40 GLU HB3 3.000 . 3.500 2.593 2.496 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 434 1 40 GLU H 1 40 GLU QG 3.000 . 4.500 2.233 1.844 3.191 . 0 0 "[ . 1 . 2 . 3]" 1 435 1 40 GLU HB2 1 41 GLU H 4.000 . 5.000 4.013 3.793 4.154 . 0 0 "[ . 1 . 2 . 3]" 1 436 1 40 GLU HB3 1 41 GLU H 4.000 . 5.000 4.129 3.992 4.297 . 0 0 "[ . 1 . 2 . 3]" 1 437 1 40 GLU HB2 1 43 ILE H 4.000 . 5.000 5.021 4.767 5.176 0.176 29 0 "[ . 1 . 2 . 3]" 1 438 1 40 GLU HB2 1 44 ASP H 4.000 . 5.000 4.738 4.246 5.043 0.043 15 0 "[ . 1 . 2 . 3]" 1 439 1 40 GLU HA 1 43 ILE MG 3.000 . 4.800 2.634 2.246 3.371 . 0 0 "[ . 1 . 2 . 3]" 1 440 1 40 GLU HB2 1 43 ILE MG 3.000 . 4.800 3.299 2.855 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 441 1 40 GLU HB3 1 43 ILE MG 4.000 . 6.500 4.200 3.799 4.697 . 0 0 "[ . 1 . 2 . 3]" 1 442 1 40 GLU QG 1 43 ILE MG 4.000 . 7.500 4.359 3.994 4.634 . 0 0 "[ . 1 . 2 . 3]" 1 443 1 41 GLU H 1 41 GLU HB3 2.500 . 2.900 2.613 2.433 2.841 . 0 0 "[ . 1 . 2 . 3]" 1 444 1 41 GLU H 1 41 GLU QG 2.500 . 3.900 2.132 1.785 2.673 . 0 0 "[ . 1 . 2 . 3]" 1 445 1 41 GLU QG 1 42 ASN H 2.500 . 4.000 2.065 1.850 2.285 . 0 0 "[ . 1 . 2 . 3]" 1 446 1 41 GLU H 1 42 ASN HB2 4.000 . 5.000 4.723 4.642 4.814 . 0 0 "[ . 1 . 2 . 3]" 1 447 1 41 GLU HB3 1 42 ASN H 4.000 . 5.000 4.002 3.788 4.210 . 0 0 "[ . 1 . 2 . 3]" 1 448 1 41 GLU HB2 1 42 ASN H 4.000 . 5.000 3.817 3.689 3.908 . 0 0 "[ . 1 . 2 . 3]" 1 449 1 41 GLU HA 1 81 VAL QG 4.000 . 6.500 4.064 3.552 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 450 1 41 GLU QG 1 81 VAL QG 3.000 . 5.800 2.468 1.997 3.139 . 0 0 "[ . 1 . 2 . 3]" 1 451 1 41 GLU QG 1 81 VAL HA 4.000 . 6.000 2.761 2.251 3.282 . 0 0 "[ . 1 . 2 . 3]" 1 452 1 41 GLU HB2 1 81 VAL QG 4.000 . 6.500 2.397 2.111 2.769 . 0 0 "[ . 1 . 2 . 3]" 1 453 1 41 GLU HB2 1 42 ASN HA 4.000 . 5.000 4.549 4.352 4.674 . 0 0 "[ . 1 . 2 . 3]" 1 454 1 41 GLU HB3 1 79 LYS QD 4.000 . 6.000 3.792 2.402 5.074 . 0 0 "[ . 1 . 2 . 3]" 1 455 1 42 ASN H 1 42 ASN HB2 2.500 . 2.900 2.416 2.377 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 456 1 42 ASN HB3 1 43 ILE H 3.000 . 3.500 3.468 3.275 3.603 0.103 15 0 "[ . 1 . 2 . 3]" 1 457 1 42 ASN HB2 1 43 ILE H 3.000 . 3.500 2.592 2.425 2.734 . 0 0 "[ . 1 . 2 . 3]" 1 458 1 42 ASN H 1 43 ILE MG 4.000 . 6.500 4.259 3.838 4.532 . 0 0 "[ . 1 . 2 . 3]" 1 459 1 42 ASN HA 1 110 ILE MD 4.000 . 6.500 3.256 2.659 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 460 1 42 ASN HA 1 110 ILE MG 4.000 . 6.500 3.309 2.698 4.001 . 0 0 "[ . 1 . 2 . 3]" 1 461 1 42 ASN HB3 1 110 ILE MG 4.000 . 6.500 2.322 2.115 2.734 . 0 0 "[ . 1 . 2 . 3]" 1 462 1 42 ASN HB3 1 114 MET ME 4.000 . 6.500 4.080 3.192 4.846 . 0 0 "[ . 1 . 2 . 3]" 1 463 1 42 ASN HB2 1 114 MET ME 4.000 . 6.500 4.644 3.812 5.347 . 0 0 "[ . 1 . 2 . 3]" 1 464 1 42 ASN HA 1 81 VAL QG 4.000 . 6.500 3.239 2.591 3.779 . 0 0 "[ . 1 . 2 . 3]" 1 465 1 42 ASN QB 1 81 VAL QG 4.000 . 7.500 4.668 4.022 5.218 . 0 0 "[ . 1 . 2 . 3]" 1 466 1 43 ILE H 1 43 ILE MG 2.500 . 4.400 2.259 1.847 2.500 . 0 0 "[ . 1 . 2 . 3]" 1 467 1 43 ILE H 1 43 ILE MD 4.000 . 6.500 4.011 3.819 4.242 . 0 0 "[ . 1 . 2 . 3]" 1 468 1 43 ILE H 1 43 ILE HB 3.000 . 3.500 2.547 2.427 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 469 1 43 ILE HB 1 43 ILE MD 3.000 . 4.800 2.237 2.198 2.313 . 0 0 "[ . 1 . 2 . 3]" 1 470 1 43 ILE HA 1 43 ILE MD 3.000 . 4.800 2.188 2.119 2.246 . 0 0 "[ . 1 . 2 . 3]" 1 471 1 43 ILE HB 1 44 ASP H 4.000 . 5.000 3.885 3.753 4.051 . 0 0 "[ . 1 . 2 . 3]" 1 472 1 43 ILE H 1 44 ASP HB2 4.000 . 5.000 4.729 4.663 4.803 . 0 0 "[ . 1 . 2 . 3]" 1 473 1 43 ILE MG 1 44 ASP H 2.500 . 4.400 1.974 1.822 2.124 . 0 0 "[ . 1 . 2 . 3]" 1 474 1 43 ILE MD 1 44 ASP H 4.000 . 6.500 4.718 4.493 4.822 . 0 0 "[ . 1 . 2 . 3]" 1 475 1 43 ILE MG 1 45 PHE H 4.000 . 6.500 4.178 4.062 4.300 . 0 0 "[ . 1 . 2 . 3]" 1 476 1 43 ILE MD 1 47 ILE H 4.000 . 6.500 4.192 3.699 4.658 . 0 0 "[ . 1 . 2 . 3]" 1 477 1 43 ILE MG 1 47 ILE H 4.000 . 6.500 4.754 4.404 5.142 . 0 0 "[ . 1 . 2 . 3]" 1 478 1 43 ILE MD 1 46 TRP HE3 4.000 . 6.500 2.488 2.151 3.376 . 0 0 "[ . 1 . 2 . 3]" 1 479 1 43 ILE MD 1 46 TRP HZ3 4.000 . 6.500 3.690 2.914 4.703 . 0 0 "[ . 1 . 2 . 3]" 1 480 1 43 ILE MG 1 44 ASP HA 4.000 . 6.500 3.202 3.045 3.508 . 0 0 "[ . 1 . 2 . 3]" 1 481 1 43 ILE MG 1 44 ASP HB2 4.000 . 6.500 3.802 3.713 3.898 . 0 0 "[ . 1 . 2 . 3]" 1 482 1 43 ILE HA 1 46 TRP HE3 4.000 . 5.000 3.993 3.531 4.458 . 0 0 "[ . 1 . 2 . 3]" 1 483 1 43 ILE HA 1 114 MET ME 4.000 . 6.500 4.659 4.183 5.193 . 0 0 "[ . 1 . 2 . 3]" 1 484 1 43 ILE MD 1 114 MET ME 3.000 . 6.300 3.563 2.938 4.246 . 0 0 "[ . 1 . 2 . 3]" 1 485 1 43 ILE MD 1 46 TRP HB3 4.000 . 6.500 2.635 2.281 3.166 . 0 0 "[ . 1 . 2 . 3]" 1 486 1 43 ILE MD 1 46 TRP HB2 4.000 . 6.500 3.523 3.111 4.089 . 0 0 "[ . 1 . 2 . 3]" 1 487 1 43 ILE QG 1 47 ILE MD 3.000 . 5.800 2.746 2.273 3.158 . 0 0 "[ . 1 . 2 . 3]" 1 488 1 43 ILE HA 1 46 TRP QB 4.000 . 6.000 2.230 2.161 2.360 . 0 0 "[ . 1 . 2 . 3]" 1 489 1 44 ASP H 1 44 ASP HB2 2.500 . 2.900 2.432 2.403 2.453 . 0 0 "[ . 1 . 2 . 3]" 1 490 1 44 ASP HB2 1 45 PHE H 2.500 . 2.900 2.554 2.470 2.602 . 0 0 "[ . 1 . 2 . 3]" 1 491 1 44 ASP HB3 1 47 ILE MD 4.000 . 6.500 4.406 4.183 4.589 . 0 0 "[ . 1 . 2 . 3]" 1 492 1 44 ASP HA 1 47 ILE MD 3.000 . 4.800 2.351 2.280 2.504 . 0 0 "[ . 1 . 2 . 3]" 1 493 1 44 ASP HB2 1 81 VAL QG 4.000 . 6.500 4.852 4.357 5.048 . 0 0 "[ . 1 . 2 . 3]" 1 494 1 44 ASP HA 1 47 ILE MG 4.000 . 6.500 4.254 4.024 4.447 . 0 0 "[ . 1 . 2 . 3]" 1 495 1 44 ASP HB2 1 46 TRP H 4.000 . 5.000 4.932 4.843 5.015 0.015 16 0 "[ . 1 . 2 . 3]" 1 496 1 44 ASP QB 1 72 PHE QE 4.000 . 8.000 2.632 2.220 3.093 . 0 0 "[ . 1 . 2 . 3]" 1 497 1 44 ASP QB 1 47 ILE MG 4.000 . 7.500 5.316 5.114 5.485 . 0 0 "[ . 1 . 2 . 3]" 1 498 1 45 PHE H 1 45 PHE HB3 2.500 . 2.900 2.467 2.375 2.596 . 0 0 "[ . 1 . 2 . 3]" 1 499 1 45 PHE H 1 45 PHE HB2 2.500 . 2.900 2.592 2.440 2.701 . 0 0 "[ . 1 . 2 . 3]" 1 500 1 45 PHE H 1 45 PHE QD 4.000 . 5.000 4.178 4.151 4.198 . 0 0 "[ . 1 . 2 . 3]" 1 501 1 45 PHE HB3 1 46 TRP H 4.000 . 5.000 2.550 2.448 2.641 . 0 0 "[ . 1 . 2 . 3]" 1 502 1 45 PHE HB2 1 46 TRP H 4.000 . 5.000 3.863 3.760 3.957 . 0 0 "[ . 1 . 2 . 3]" 1 503 1 45 PHE H 1 81 VAL QG 4.000 . 6.500 4.030 3.801 4.305 . 0 0 "[ . 1 . 2 . 3]" 1 504 1 45 PHE H 1 72 PHE QD 5.000 3.000 6.000 4.637 4.272 5.167 . 0 0 "[ . 1 . 2 . 3]" 1 505 1 45 PHE H 1 72 PHE QE 4.000 . 5.000 3.663 3.038 4.533 . 0 0 "[ . 1 . 2 . 3]" 1 506 1 45 PHE H 1 72 PHE HZ 5.000 3.000 6.000 4.845 4.413 5.373 . 0 0 "[ . 1 . 2 . 3]" 1 507 1 45 PHE QD 1 46 TRP H 4.000 . 5.000 3.312 3.035 3.683 . 0 0 "[ . 1 . 2 . 3]" 1 508 1 45 PHE QB 1 48 SER H 4.000 . 6.000 5.023 4.883 5.190 . 0 0 "[ . 1 . 2 . 3]" 1 509 1 45 PHE QE 1 107 GLN H 5.000 3.000 6.000 3.490 3.020 4.113 . 0 0 "[ . 1 . 2 . 3]" 1 510 1 45 PHE QE 1 110 ILE H 4.000 . 5.000 4.972 4.816 5.070 0.070 30 0 "[ . 1 . 2 . 3]" 1 511 1 45 PHE QD 1 73 ILE MD 4.000 . 6.500 4.107 3.685 4.479 . 0 0 "[ . 1 . 2 . 3]" 1 512 1 45 PHE QD 1 110 ILE MD 4.000 . 6.500 3.685 3.315 4.145 . 0 0 "[ . 1 . 2 . 3]" 1 513 1 45 PHE QD 1 81 VAL QG 3.000 . 4.800 2.639 2.285 3.065 . 0 0 "[ . 1 . 2 . 3]" 1 514 1 45 PHE QB 1 81 VAL QG 4.000 . 7.500 2.263 2.053 2.551 . 0 0 "[ . 1 . 2 . 3]" 1 515 1 45 PHE QD 1 110 ILE MG 3.000 . 4.800 3.601 3.282 3.743 . 0 0 "[ . 1 . 2 . 3]" 1 516 1 45 PHE QB 1 110 ILE MG 4.000 . 7.500 4.001 3.505 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 517 1 45 PHE QD 1 107 GLN HA 4.000 . 5.000 3.944 3.174 4.795 . 0 0 "[ . 1 . 2 . 3]" 1 518 1 45 PHE QD 1 106 ALA MB 4.000 . 6.500 4.285 4.034 4.857 . 0 0 "[ . 1 . 2 . 3]" 1 519 1 45 PHE QD 1 110 ILE HB 4.000 . 5.000 4.312 3.941 4.644 . 0 0 "[ . 1 . 2 . 3]" 1 520 1 45 PHE QD 1 68 ILE MG 3.000 . 4.800 3.456 3.000 4.042 . 0 0 "[ . 1 . 2 . 3]" 1 521 1 45 PHE HA 1 81 VAL QG 4.000 . 6.500 4.146 3.915 4.409 . 0 0 "[ . 1 . 2 . 3]" 1 522 1 45 PHE QD 1 83 LEU MD1 4.000 . 6.500 4.288 3.998 4.542 . 0 0 "[ . 1 . 2 . 3]" 1 523 1 45 PHE QD 1 110 ILE QG 4.000 . 6.000 2.463 2.287 2.779 . 0 0 "[ . 1 . 2 . 3]" 1 524 1 46 TRP HB3 1 47 ILE H 4.000 . 5.000 2.522 2.386 2.605 . 0 0 "[ . 1 . 2 . 3]" 1 525 1 46 TRP HB2 1 47 ILE H 4.000 . 5.000 3.839 3.719 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 526 1 46 TRP HE3 1 47 ILE HA 4.000 . 5.000 3.297 2.819 4.055 . 0 0 "[ . 1 . 2 . 3]" 1 527 1 46 TRP HE3 1 47 ILE H 4.000 . 5.000 3.350 3.098 3.791 . 0 0 "[ . 1 . 2 . 3]" 1 528 1 46 TRP HE3 1 47 ILE MD 4.000 . 6.500 3.959 3.730 4.263 . 0 0 "[ . 1 . 2 . 3]" 1 529 1 46 TRP HE3 1 47 ILE MG 4.000 . 6.500 4.596 4.229 5.176 . 0 0 "[ . 1 . 2 . 3]" 1 530 1 46 TRP HZ3 1 47 ILE MD 4.000 . 6.500 4.641 4.327 5.083 . 0 0 "[ . 1 . 2 . 3]" 1 531 1 46 TRP H 1 110 ILE MG 4.000 . 6.500 4.307 3.912 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 532 1 46 TRP HE1 1 111 PHE HE1 4.000 . 5.000 2.497 1.785 3.271 0.015 19 0 "[ . 1 . 2 . 3]" 1 533 1 46 TRP HE1 1 111 PHE HD1 4.000 . 5.000 4.478 3.458 5.054 0.054 27 0 "[ . 1 . 2 . 3]" 1 534 1 46 TRP HE1 1 111 PHE HZ 4.000 . 5.000 3.354 2.579 4.170 . 0 0 "[ . 1 . 2 . 3]" 1 535 1 46 TRP HE1 1 107 GLN QG 4.000 . 6.000 3.421 2.384 3.889 . 0 0 "[ . 1 . 2 . 3]" 1 536 1 46 TRP HE1 1 107 GLN QB 4.000 . 6.000 4.963 3.451 5.429 . 0 0 "[ . 1 . 2 . 3]" 1 537 1 46 TRP QB 1 110 ILE MG 4.000 . 7.500 3.255 2.494 3.844 . 0 0 "[ . 1 . 2 . 3]" 1 538 1 47 ILE HB 1 47 ILE MD 3.000 . 4.800 2.290 2.236 2.360 . 0 0 "[ . 1 . 2 . 3]" 1 539 1 47 ILE H 1 47 ILE HG13 4.000 . 6.000 2.222 2.111 2.328 . 0 0 "[ . 1 . 2 . 3]" 1 540 1 47 ILE H 1 47 ILE HG12 4.000 . 6.000 3.590 3.494 3.701 . 0 0 "[ . 1 . 2 . 3]" 1 541 1 47 ILE H 1 47 ILE MD 3.000 . 5.000 3.437 3.350 3.492 . 0 0 "[ . 1 . 2 . 3]" 1 542 1 47 ILE H 1 47 ILE HB 3.000 . 3.500 2.456 2.416 2.512 . 0 0 "[ . 1 . 2 . 3]" 1 543 1 47 ILE HA 1 47 ILE MD 4.000 . 6.500 3.822 3.804 3.847 . 0 0 "[ . 1 . 2 . 3]" 1 544 1 47 ILE HA 1 47 ILE MG 3.000 . 4.400 2.391 2.321 2.431 . 0 0 "[ . 1 . 2 . 3]" 1 545 1 47 ILE HB 1 48 SER H 2.500 . 2.900 2.591 2.436 2.692 . 0 0 "[ . 1 . 2 . 3]" 1 546 1 47 ILE MG 1 48 SER H 3.000 . 5.000 3.310 3.157 3.489 . 0 0 "[ . 1 . 2 . 3]" 1 547 1 47 ILE MD 1 48 SER H 4.000 . 6.500 4.448 4.343 4.559 . 0 0 "[ . 1 . 2 . 3]" 1 548 1 47 ILE HG13 1 48 SER H 4.000 . 6.000 4.336 4.205 4.420 . 0 0 "[ . 1 . 2 . 3]" 1 549 1 47 ILE HG12 1 48 SER H 4.000 . 6.000 5.035 4.955 5.097 . 0 0 "[ . 1 . 2 . 3]" 1 550 1 47 ILE MG 1 48 SER HA 4.000 . 6.500 3.373 3.273 3.528 . 0 0 "[ . 1 . 2 . 3]" 1 551 1 47 ILE MG 1 50 GLU QB 4.000 . 7.500 3.667 3.358 5.023 . 0 0 "[ . 1 . 2 . 3]" 1 552 1 47 ILE MG 1 48 SER HB3 4.000 . 6.500 4.264 4.037 4.566 . 0 0 "[ . 1 . 2 . 3]" 1 553 1 48 SER H 1 48 SER HB3 2.500 . 2.900 2.506 2.462 2.659 . 0 0 "[ . 1 . 2 . 3]" 1 554 1 48 SER H 1 48 SER HB2 4.000 . 5.000 3.618 3.599 3.632 . 0 0 "[ . 1 . 2 . 3]" 1 555 1 48 SER HB2 1 68 ILE MD 4.000 . 6.500 2.460 2.077 3.270 . 0 0 "[ . 1 . 2 . 3]" 1 556 1 48 SER HB2 1 68 ILE MG 4.000 . 6.500 3.110 2.700 3.523 . 0 0 "[ . 1 . 2 . 3]" 1 557 1 49 CYS H 1 49 CYS QB 3.000 . 4.100 2.346 2.207 2.606 . 0 0 "[ . 1 . 2 . 3]" 1 558 1 49 CYS HA 1 103 PHE QD 4.000 . 5.000 4.480 3.756 4.802 . 0 0 "[ . 1 . 2 . 3]" 1 559 1 49 CYS QB 1 50 GLU H 4.000 . 6.000 2.736 2.451 3.501 . 0 0 "[ . 1 . 2 . 3]" 1 560 1 50 GLU H 1 50 GLU QB 3.000 . 4.100 2.351 2.268 2.414 . 0 0 "[ . 1 . 2 . 3]" 1 561 1 50 GLU QB 1 51 GLU H 3.000 . 4.500 2.517 2.329 3.429 . 0 0 "[ . 1 . 2 . 3]" 1 562 1 51 GLU H 1 51 GLU HB2 2.500 . 2.900 2.431 2.348 2.452 . 0 0 "[ . 1 . 2 . 3]" 1 563 1 51 GLU H 1 51 GLU HB3 4.000 . 5.000 3.613 3.590 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 564 1 51 GLU H 1 51 GLU QG 2.500 . 3.900 2.318 2.176 3.326 . 0 0 "[ . 1 . 2 . 3]" 1 565 1 51 GLU HB3 1 52 TYR H 4.000 . 5.000 3.573 3.473 3.636 . 0 0 "[ . 1 . 2 . 3]" 1 566 1 51 GLU HB2 1 52 TYR H 3.000 . 3.500 2.608 2.550 2.652 . 0 0 "[ . 1 . 2 . 3]" 1 567 1 51 GLU QG 1 52 TYR H 4.000 . 6.000 4.091 4.008 4.468 . 0 0 "[ . 1 . 2 . 3]" 1 568 1 51 GLU H 1 52 TYR HB3 4.000 . 5.000 4.950 4.863 5.036 0.036 2 0 "[ . 1 . 2 . 3]" 1 569 1 51 GLU H 1 52 TYR HB2 4.000 . 5.000 4.811 4.589 4.992 . 0 0 "[ . 1 . 2 . 3]" 1 570 1 51 GLU HA 1 54 LYS QD 4.000 . 6.000 2.738 2.318 4.304 . 0 0 "[ . 1 . 2 . 3]" 1 571 1 52 TYR HB2 1 52 TYR QE 4.000 . 5.000 4.426 4.415 4.436 . 0 0 "[ . 1 . 2 . 3]" 1 572 1 52 TYR HB3 1 52 TYR QE 4.000 . 5.000 4.455 4.431 4.475 . 0 0 "[ . 1 . 2 . 3]" 1 573 1 52 TYR HA 1 52 TYR QD 4.000 . 5.000 2.998 2.898 3.091 . 0 0 "[ . 1 . 2 . 3]" 1 574 1 52 TYR H 1 52 TYR HB3 2.500 . 2.900 2.675 2.565 2.771 . 0 0 "[ . 1 . 2 . 3]" 1 575 1 52 TYR H 1 52 TYR HB2 2.500 . 2.900 2.376 2.249 2.508 . 0 0 "[ . 1 . 2 . 3]" 1 576 1 52 TYR HB3 1 53 LYS H 3.000 . 3.500 2.561 2.462 2.693 . 0 0 "[ . 1 . 2 . 3]" 1 577 1 52 TYR HB2 1 53 LYS H 4.000 . 5.000 3.746 3.660 3.831 . 0 0 "[ . 1 . 2 . 3]" 1 578 1 52 TYR H 1 53 LYS HB2 4.000 . 5.000 4.796 4.687 4.924 . 0 0 "[ . 1 . 2 . 3]" 1 579 1 52 TYR QD 1 53 LYS H 4.000 . 5.000 3.615 3.281 3.922 . 0 0 "[ . 1 . 2 . 3]" 1 580 1 52 TYR QE 1 100 ILE H 4.000 . 5.000 4.639 4.516 4.791 . 0 0 "[ . 1 . 2 . 3]" 1 581 1 52 TYR QE 1 101 THR H 4.000 . 5.000 4.409 4.027 4.700 . 0 0 "[ . 1 . 2 . 3]" 1 582 1 52 TYR QE 1 102 CYS H 3.000 . 3.500 3.019 2.559 3.448 . 0 0 "[ . 1 . 2 . 3]" 1 583 1 52 TYR QE 1 103 PHE H 4.000 . 5.000 2.982 2.653 3.181 . 0 0 "[ . 1 . 2 . 3]" 1 584 1 52 TYR QE 1 102 CYS HB3 4.000 . 5.000 2.701 2.501 2.991 . 0 0 "[ . 1 . 2 . 3]" 1 585 1 52 TYR QE 1 100 ILE HB 4.000 . 5.000 4.865 4.788 5.003 0.003 10 0 "[ . 1 . 2 . 3]" 1 586 1 52 TYR QE 1 65 ALA MB 4.000 . 6.500 2.360 2.269 3.116 . 0 0 "[ . 1 . 2 . 3]" 1 587 1 52 TYR QD 1 65 ALA MB 4.000 . 6.500 4.048 3.743 4.926 . 0 0 "[ . 1 . 2 . 3]" 1 588 1 52 TYR QE 1 61 LEU MD2 4.000 . 6.500 2.787 2.640 2.869 . 0 0 "[ . 1 . 2 . 3]" 1 589 1 52 TYR QD 1 61 LEU MD2 4.000 . 6.500 2.981 2.858 3.279 . 0 0 "[ . 1 . 2 . 3]" 1 590 1 52 TYR QE 1 100 ILE HA 4.000 . 5.000 2.373 2.311 2.543 . 0 0 "[ . 1 . 2 . 3]" 1 591 1 52 TYR QD 1 100 ILE HA 4.000 . 5.000 3.726 3.401 3.920 . 0 0 "[ . 1 . 2 . 3]" 1 592 1 52 TYR QD 1 64 LYS HB2 4.000 . 5.000 4.584 4.167 5.069 0.069 5 0 "[ . 1 . 2 . 3]" 1 593 1 52 TYR QE 1 65 ALA HA 4.000 . 5.000 3.419 2.989 3.780 . 0 0 "[ . 1 . 2 . 3]" 1 594 1 52 TYR QD 1 100 ILE MD 4.000 . 6.500 2.964 2.517 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 595 1 52 TYR QE 1 100 ILE MD 4.000 . 6.500 3.278 3.168 3.399 . 0 0 "[ . 1 . 2 . 3]" 1 596 1 52 TYR H 1 68 ILE MD 4.000 . 6.500 4.264 3.881 4.777 . 0 0 "[ . 1 . 2 . 3]" 1 597 1 52 TYR QD 1 68 ILE MD 4.000 . 6.500 2.768 2.321 3.057 . 0 0 "[ . 1 . 2 . 3]" 1 598 1 52 TYR HB2 1 68 ILE MD 3.000 . 4.800 3.145 2.675 3.565 . 0 0 "[ . 1 . 2 . 3]" 1 599 1 52 TYR HB3 1 68 ILE MD 4.000 . 6.500 4.443 3.960 4.942 . 0 0 "[ . 1 . 2 . 3]" 1 600 1 52 TYR QE 1 68 ILE MD 4.000 . 6.500 4.097 3.435 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 601 1 52 TYR HA 1 68 ILE MD 4.000 . 6.500 4.547 4.080 4.795 . 0 0 "[ . 1 . 2 . 3]" 1 602 1 52 TYR HA 1 55 ILE MD 2.500 . 4.200 2.604 2.304 2.960 . 0 0 "[ . 1 . 2 . 3]" 1 603 1 52 TYR QD 1 55 ILE MD 4.000 . 6.500 4.147 4.016 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 604 1 52 TYR QE 1 55 ILE MD 4.000 . 6.500 5.080 4.962 5.193 . 0 0 "[ . 1 . 2 . 3]" 1 605 1 52 TYR HA 1 64 LYS QD 4.000 . 6.000 3.085 2.469 4.292 . 0 0 "[ . 1 . 2 . 3]" 1 606 1 53 LYS H 1 53 LYS HB2 2.500 . 2.900 2.394 2.333 2.478 . 0 0 "[ . 1 . 2 . 3]" 1 607 1 53 LYS H 1 53 LYS HB3 4.000 . 5.000 3.609 3.586 3.629 . 0 0 "[ . 1 . 2 . 3]" 1 608 1 53 LYS HA 1 100 ILE MD 2.500 . 4.200 2.313 2.028 2.725 . 0 0 "[ . 1 . 2 . 3]" 1 609 1 53 LYS HB3 1 100 ILE MD 4.000 . 6.500 4.045 2.916 4.662 . 0 0 "[ . 1 . 2 . 3]" 1 610 1 53 LYS QB 1 54 LYS H 4.000 . 6.000 3.022 2.641 3.195 . 0 0 "[ . 1 . 2 . 3]" 1 611 1 53 LYS H 1 100 ILE MD 4.000 . 6.500 4.392 4.006 4.707 . 0 0 "[ . 1 . 2 . 3]" 1 612 1 54 LYS HA 1 54 LYS QD 4.000 . 6.000 3.954 3.946 3.967 . 0 0 "[ . 1 . 2 . 3]" 1 613 1 54 LYS H 1 54 LYS HB2 2.500 . 2.900 2.395 2.368 2.422 . 0 0 "[ . 1 . 2 . 3]" 1 614 1 54 LYS H 1 54 LYS HB3 4.000 . 5.000 3.635 3.590 3.655 . 0 0 "[ . 1 . 2 . 3]" 1 615 1 54 LYS H 1 54 LYS QD 3.000 . 4.500 3.942 3.878 4.272 . 0 0 "[ . 1 . 2 . 3]" 1 616 1 54 LYS HB3 1 55 ILE H 4.000 . 5.000 3.779 3.572 4.051 . 0 0 "[ . 1 . 2 . 3]" 1 617 1 54 LYS HA 1 56 LYS QG 4.000 . 6.000 4.068 3.602 4.433 . 0 0 "[ . 1 . 2 . 3]" 1 618 1 55 ILE H 1 55 ILE HB 2.500 . 2.900 2.434 2.377 2.535 . 0 0 "[ . 1 . 2 . 3]" 1 619 1 55 ILE H 1 55 ILE MG 3.000 . 5.000 3.765 3.750 3.786 . 0 0 "[ . 1 . 2 . 3]" 1 620 1 55 ILE HA 1 55 ILE MG 3.000 . 4.400 2.372 2.292 2.440 . 0 0 "[ . 1 . 2 . 3]" 1 621 1 55 ILE H 1 55 ILE MD 3.000 . 4.800 3.445 3.281 3.578 . 0 0 "[ . 1 . 2 . 3]" 1 622 1 55 ILE H 1 61 LEU MD2 4.000 . 6.500 3.926 3.764 4.674 . 0 0 "[ . 1 . 2 . 3]" 1 623 1 55 ILE MG 1 56 LYS H 3.000 . 5.000 2.929 2.771 3.279 . 0 0 "[ . 1 . 2 . 3]" 1 624 1 55 ILE MD 1 56 LYS H 4.000 . 6.500 5.303 5.193 5.481 . 0 0 "[ . 1 . 2 . 3]" 1 625 1 55 ILE MG 1 57 SER H 2.500 . 4.400 2.074 1.884 2.397 . 0 0 "[ . 1 . 2 . 3]" 1 626 1 55 ILE MG 1 60 LYS H 3.000 . 5.000 3.638 3.513 4.063 . 0 0 "[ . 1 . 2 . 3]" 1 627 1 55 ILE MG 1 61 LEU H 4.000 . 6.500 3.496 3.302 4.005 . 0 0 "[ . 1 . 2 . 3]" 1 628 1 55 ILE HA 1 61 LEU MD2 4.000 . 6.500 4.422 4.218 4.705 . 0 0 "[ . 1 . 2 . 3]" 1 629 1 55 ILE MG 1 61 LEU MD2 3.000 . 6.300 2.095 1.970 2.296 . 0 0 "[ . 1 . 2 . 3]" 1 630 1 55 ILE HB 1 61 LEU MD2 3.000 . 4.800 2.154 2.067 2.887 . 0 0 "[ . 1 . 2 . 3]" 1 631 1 55 ILE MG 1 57 SER HB2 4.000 . 6.500 2.563 2.410 2.745 . 0 0 "[ . 1 . 2 . 3]" 1 632 1 55 ILE MG 1 56 LYS HA 4.000 . 6.500 3.942 3.876 4.059 . 0 0 "[ . 1 . 2 . 3]" 1 633 1 55 ILE MG 1 58 PRO HA 4.000 . 6.500 4.261 4.005 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 634 1 55 ILE MG 1 61 LEU HA 4.000 . 6.500 3.704 3.520 3.911 . 0 0 "[ . 1 . 2 . 3]" 1 635 1 55 ILE MG 1 60 LYS HG3 4.000 . 7.500 4.008 3.565 4.265 . 0 0 "[ . 1 . 2 . 3]" 1 636 1 55 ILE MG 1 60 LYS HG2 4.000 . 7.500 4.593 4.121 4.978 . 0 0 "[ . 1 . 2 . 3]" 1 637 1 55 ILE MG 1 60 LYS QE 4.000 . 7.500 4.239 2.301 5.243 . 0 0 "[ . 1 . 2 . 3]" 1 638 1 55 ILE MG 1 60 LYS HB3 3.000 . 4.800 3.159 2.700 3.503 . 0 0 "[ . 1 . 2 . 3]" 1 639 1 55 ILE MG 1 60 LYS HB2 3.000 . 4.800 2.283 2.187 2.641 . 0 0 "[ . 1 . 2 . 3]" 1 640 1 55 ILE HB 1 100 ILE MD 4.000 . 6.500 4.029 3.614 4.806 . 0 0 "[ . 1 . 2 . 3]" 1 641 1 55 ILE MD 1 64 LYS QE 4.000 . 7.500 2.231 1.949 2.975 . 0 0 "[ . 1 . 2 . 3]" 1 642 1 55 ILE MD 1 64 LYS HB3 4.000 . 6.500 4.233 3.816 4.758 . 0 0 "[ . 1 . 2 . 3]" 1 643 1 55 ILE MD 1 64 LYS HB2 4.000 . 6.500 4.703 4.409 5.307 . 0 0 "[ . 1 . 2 . 3]" 1 644 1 55 ILE MD 1 61 LEU MD2 2.500 . 5.700 2.444 2.233 3.150 . 0 0 "[ . 1 . 2 . 3]" 1 645 1 56 LYS H 1 56 LYS HB2 3.000 . 3.500 2.442 2.369 2.546 . 0 0 "[ . 1 . 2 . 3]" 1 646 1 56 LYS H 1 56 LYS HB3 4.000 . 5.000 3.667 3.631 3.696 . 0 0 "[ . 1 . 2 . 3]" 1 647 1 56 LYS H 1 56 LYS QG 3.000 . 4.500 2.581 2.377 2.703 . 0 0 "[ . 1 . 2 . 3]" 1 648 1 56 LYS HA 1 56 LYS QD 3.000 . 4.500 3.729 2.153 4.166 . 0 0 "[ . 1 . 2 . 3]" 1 649 1 56 LYS HB2 1 57 SER H 3.000 . 3.500 3.538 3.500 3.636 0.136 2 0 "[ . 1 . 2 . 3]" 1 650 1 56 LYS HB3 1 57 SER H 4.000 . 5.000 4.253 4.213 4.330 . 0 0 "[ . 1 . 2 . 3]" 1 651 1 56 LYS QG 1 57 SER H 4.000 . 6.000 4.318 4.243 4.401 . 0 0 "[ . 1 . 2 . 3]" 1 652 1 56 LYS HA 1 100 ILE MD 4.000 . 6.500 2.894 2.189 4.046 . 0 0 "[ . 1 . 2 . 3]" 1 653 1 57 SER H 1 57 SER HB2 2.500 . 2.900 2.402 2.317 2.485 . 0 0 "[ . 1 . 2 . 3]" 1 654 1 57 SER HB3 1 60 LYS H 3.000 . 3.500 3.061 2.937 3.198 . 0 0 "[ . 1 . 2 . 3]" 1 655 1 57 SER HB2 1 60 LYS H 3.000 . 3.500 3.206 2.972 3.437 . 0 0 "[ . 1 . 2 . 3]" 1 656 1 57 SER QB 1 59 SER H 4.000 . 6.000 2.684 2.514 2.885 . 0 0 "[ . 1 . 2 . 3]" 1 657 1 57 SER HB3 1 61 LEU H 4.000 . 5.000 5.028 4.966 5.081 0.081 14 0 "[ . 1 . 2 . 3]" 1 658 1 57 SER HB2 1 61 LEU H 4.000 . 5.000 4.703 4.464 4.890 . 0 0 "[ . 1 . 2 . 3]" 1 659 1 57 SER HA 1 58 PRO QB 4.000 . 6.000 4.840 4.810 4.865 . 0 0 "[ . 1 . 2 . 3]" 1 660 1 57 SER HB2 1 60 LYS HB3 4.000 . 5.000 4.504 3.977 4.953 . 0 0 "[ . 1 . 2 . 3]" 1 661 1 57 SER HB2 1 60 LYS HB2 4.000 . 5.000 2.885 2.412 3.287 . 0 0 "[ . 1 . 2 . 3]" 1 662 1 57 SER HA 1 58 PRO HD3 4.000 . 6.000 2.322 2.296 2.355 . 0 0 "[ . 1 . 2 . 3]" 1 663 1 57 SER HA 1 58 PRO HD2 4.000 . 6.000 2.297 2.273 2.317 . 0 0 "[ . 1 . 2 . 3]" 1 664 1 57 SER HB3 1 58 PRO HD3 4.000 . 6.000 4.455 4.420 4.481 . 0 0 "[ . 1 . 2 . 3]" 1 665 1 57 SER HB3 1 58 PRO HD2 4.000 . 6.000 3.618 3.531 3.692 . 0 0 "[ . 1 . 2 . 3]" 1 666 1 57 SER HB3 1 60 LYS QD 4.000 . 6.000 4.243 3.239 5.320 . 0 0 "[ . 1 . 2 . 3]" 1 667 1 57 SER HB2 1 60 LYS QD 4.000 . 6.000 3.568 2.316 5.224 . 0 0 "[ . 1 . 2 . 3]" 1 668 1 57 SER HB3 1 60 LYS HG3 4.000 . 6.000 3.399 2.828 3.953 . 0 0 "[ . 1 . 2 . 3]" 1 669 1 57 SER HB2 1 60 LYS HG3 4.000 . 6.000 3.242 2.725 3.735 . 0 0 "[ . 1 . 2 . 3]" 1 670 1 57 SER HB3 1 60 LYS HG2 4.000 . 6.000 4.491 2.611 5.409 . 0 0 "[ . 1 . 2 . 3]" 1 671 1 57 SER HB2 1 60 LYS HG2 4.000 . 6.000 4.378 2.814 5.237 . 0 0 "[ . 1 . 2 . 3]" 1 672 1 58 PRO HB3 1 61 LEU MD1 4.000 . 6.500 3.076 2.966 3.286 . 0 0 "[ . 1 . 2 . 3]" 1 673 1 58 PRO HB2 1 61 LEU MD1 4.000 . 6.500 4.034 3.891 4.308 . 0 0 "[ . 1 . 2 . 3]" 1 674 1 58 PRO HA 1 61 LEU HG 4.000 . 5.000 2.380 2.302 2.634 . 0 0 "[ . 1 . 2 . 3]" 1 675 1 58 PRO HA 1 61 LEU HB2 4.000 . 5.000 3.118 2.811 3.434 . 0 0 "[ . 1 . 2 . 3]" 1 676 1 58 PRO HA 1 61 LEU MD1 3.000 . 4.800 2.128 2.076 2.249 . 0 0 "[ . 1 . 2 . 3]" 1 677 1 58 PRO QG 1 59 SER HA 4.000 . 6.000 5.003 4.802 5.211 . 0 0 "[ . 1 . 2 . 3]" 1 678 1 58 PRO QB 1 59 SER HA 4.000 . 6.000 4.148 4.068 4.207 . 0 0 "[ . 1 . 2 . 3]" 1 679 1 59 SER QB 1 60 LYS H 3.000 . 4.500 3.354 2.730 3.674 . 0 0 "[ . 1 . 2 . 3]" 1 680 1 60 LYS HA 1 60 LYS HG3 4.000 . 5.600 3.187 2.805 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 681 1 60 LYS HA 1 60 LYS HG2 4.000 . 5.600 2.540 2.341 2.976 . 0 0 "[ . 1 . 2 . 3]" 1 682 1 60 LYS HA 1 60 LYS QD 4.000 . 6.000 3.454 2.191 4.163 . 0 0 "[ . 1 . 2 . 3]" 1 683 1 60 LYS H 1 60 LYS QG 4.000 . 6.000 2.551 2.348 2.658 . 0 0 "[ . 1 . 2 . 3]" 1 684 1 60 LYS H 1 60 LYS QD 4.000 . 6.000 4.012 3.726 4.501 . 0 0 "[ . 1 . 2 . 3]" 1 685 1 60 LYS H 1 60 LYS HB3 4.000 . 5.000 3.648 3.629 3.671 . 0 0 "[ . 1 . 2 . 3]" 1 686 1 60 LYS H 1 60 LYS HB2 2.500 . 2.900 2.418 2.376 2.504 . 0 0 "[ . 1 . 2 . 3]" 1 687 1 60 LYS HB2 1 61 LEU H 3.000 . 3.500 3.167 3.048 3.271 . 0 0 "[ . 1 . 2 . 3]" 1 688 1 60 LYS HB3 1 61 LEU H 4.000 . 5.000 4.015 3.915 4.158 . 0 0 "[ . 1 . 2 . 3]" 1 689 1 61 LEU H 1 61 LEU MD2 3.000 . 5.000 3.139 2.947 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 690 1 61 LEU H 1 61 LEU MD1 3.000 . 5.000 3.612 3.544 3.651 . 0 0 "[ . 1 . 2 . 3]" 1 691 1 61 LEU H 1 61 LEU HB3 4.000 . 5.000 3.629 3.605 3.644 . 0 0 "[ . 1 . 2 . 3]" 1 692 1 61 LEU H 1 61 LEU HB2 3.000 . 3.500 2.555 2.510 2.600 . 0 0 "[ . 1 . 2 . 3]" 1 693 1 61 LEU H 1 61 LEU HG 4.000 . 5.000 2.089 1.977 2.150 . 0 0 "[ . 1 . 2 . 3]" 1 694 1 61 LEU HA 1 61 LEU MD2 3.000 . 4.800 2.098 2.079 2.115 . 0 0 "[ . 1 . 2 . 3]" 1 695 1 61 LEU HB3 1 61 LEU MD2 3.000 . 4.800 2.331 2.295 2.366 . 0 0 "[ . 1 . 2 . 3]" 1 696 1 61 LEU HB3 1 61 LEU MD1 3.000 . 4.800 2.422 2.374 2.443 . 0 0 "[ . 1 . 2 . 3]" 1 697 1 61 LEU HB2 1 62 SER H 3.000 . 3.500 2.610 2.571 2.654 . 0 0 "[ . 1 . 2 . 3]" 1 698 1 61 LEU HB3 1 62 SER H 4.000 . 5.000 3.698 3.654 3.734 . 0 0 "[ . 1 . 2 . 3]" 1 699 1 61 LEU MD1 1 62 SER H 4.000 . 6.500 4.530 4.484 4.576 . 0 0 "[ . 1 . 2 . 3]" 1 700 1 61 LEU HB3 1 65 ALA H 4.000 . 5.000 4.631 4.411 4.879 . 0 0 "[ . 1 . 2 . 3]" 1 701 1 61 LEU MD1 1 100 ILE H 4.000 . 6.500 3.624 3.258 3.848 . 0 0 "[ . 1 . 2 . 3]" 1 702 1 61 LEU MD1 1 99 THR HB 4.000 . 6.500 4.838 4.548 5.120 . 0 0 "[ . 1 . 2 . 3]" 1 703 1 61 LEU MD1 1 99 THR HA 3.000 . 4.800 3.130 2.755 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 704 1 61 LEU MD1 1 100 ILE HA 3.000 . 4.800 2.725 2.311 3.144 . 0 0 "[ . 1 . 2 . 3]" 1 705 1 61 LEU MD2 1 100 ILE HA 4.000 . 6.500 3.925 3.516 4.348 . 0 0 "[ . 1 . 2 . 3]" 1 706 1 61 LEU MD2 1 100 ILE HB 4.000 . 6.500 5.030 4.426 5.266 . 0 0 "[ . 1 . 2 . 3]" 1 707 1 61 LEU MD1 1 100 ILE MD 3.000 . 6.300 2.997 2.572 3.706 . 0 0 "[ . 1 . 2 . 3]" 1 708 1 61 LEU MD2 1 100 ILE MD 3.000 . 6.300 3.159 2.618 3.982 . 0 0 "[ . 1 . 2 . 3]" 1 709 1 61 LEU MD1 1 99 THR MG 4.000 . 8.000 4.495 4.185 4.762 . 0 0 "[ . 1 . 2 . 3]" 1 710 1 62 SER H 1 62 SER QB 2.500 . 3.500 2.209 2.116 2.888 . 0 0 "[ . 1 . 2 . 3]" 1 711 1 62 SER QB 1 64 LYS H 4.000 . 6.000 5.005 4.847 5.287 . 0 0 "[ . 1 . 2 . 3]" 1 712 1 62 SER H 1 65 ALA H 4.000 . 5.000 4.602 4.501 4.716 . 0 0 "[ . 1 . 2 . 3]" 1 713 1 62 SER QB 1 98 PRO QD 4.000 . 7.000 4.617 3.514 4.943 . 0 0 "[ . 1 . 2 . 3]" 1 714 1 62 SER HA 1 98 PRO QD 4.000 . 6.000 4.812 4.460 5.043 . 0 0 "[ . 1 . 2 . 3]" 1 715 1 62 SER QB 1 98 PRO HB3 4.000 . 6.000 4.678 3.285 5.311 . 0 0 "[ . 1 . 2 . 3]" 1 716 1 62 SER QB 1 98 PRO HB2 4.000 . 6.000 4.575 3.579 4.996 . 0 0 "[ . 1 . 2 . 3]" 1 717 1 62 SER HA 1 98 PRO QG 4.000 . 6.000 2.842 2.513 3.080 . 0 0 "[ . 1 . 2 . 3]" 1 718 1 63 PRO QB 1 64 LYS H 3.000 . 4.500 2.217 2.004 2.484 . 0 0 "[ . 1 . 2 . 3]" 1 719 1 63 PRO HA 1 66 LYS QD 4.000 . 6.000 3.700 3.138 5.142 . 0 0 "[ . 1 . 2 . 3]" 1 720 1 64 LYS H 1 64 LYS HB3 4.000 . 5.000 2.618 2.498 2.765 . 0 0 "[ . 1 . 2 . 3]" 1 721 1 64 LYS HB3 1 65 ALA H 4.000 . 5.000 4.100 3.974 4.281 . 0 0 "[ . 1 . 2 . 3]" 1 722 1 64 LYS HB2 1 65 ALA H 4.000 . 5.000 3.988 3.839 4.245 . 0 0 "[ . 1 . 2 . 3]" 1 723 1 64 LYS H 1 65 ALA MB 4.000 . 6.500 4.323 4.286 4.374 . 0 0 "[ . 1 . 2 . 3]" 1 724 1 65 ALA H 1 65 ALA MB 2.500 . 4.000 2.258 2.212 2.274 . 0 0 "[ . 1 . 2 . 3]" 1 725 1 65 ALA MB 1 66 LYS H 2.500 . 4.400 2.362 2.240 2.466 . 0 0 "[ . 1 . 2 . 3]" 1 726 1 65 ALA H 1 66 LYS HB2 4.000 . 5.000 4.850 4.735 4.934 . 0 0 "[ . 1 . 2 . 3]" 1 727 1 65 ALA H 1 98 PRO QB 4.000 . 6.000 5.324 5.177 5.434 . 0 0 "[ . 1 . 2 . 3]" 1 728 1 65 ALA MB 1 103 PHE QD 4.000 . 6.500 4.412 4.083 4.733 . 0 0 "[ . 1 . 2 . 3]" 1 729 1 65 ALA HA 1 68 ILE MD 4.000 . 6.500 2.950 2.723 3.231 . 0 0 "[ . 1 . 2 . 3]" 1 730 1 65 ALA MB 1 68 ILE MD 4.000 . 8.000 4.140 3.871 4.399 . 0 0 "[ . 1 . 2 . 3]" 1 731 1 65 ALA HA 1 68 ILE MG 4.000 . 6.500 4.115 3.887 4.407 . 0 0 "[ . 1 . 2 . 3]" 1 732 1 65 ALA MB 1 98 PRO QB 4.000 . 7.500 3.203 3.035 3.381 . 0 0 "[ . 1 . 2 . 3]" 1 733 1 65 ALA MB 1 98 PRO QG 4.000 . 7.500 3.672 3.380 4.012 . 0 0 "[ . 1 . 2 . 3]" 1 734 1 65 ALA HA 1 103 PHE HE1 4.000 . 5.000 3.320 2.442 4.840 . 0 0 "[ . 1 . 2 . 3]" 1 735 1 65 ALA MB 1 103 PHE HE1 4.000 . 6.500 2.798 2.227 5.241 . 0 0 "[ . 1 . 2 . 3]" 1 736 1 65 ALA HA 1 103 PHE HZ 4.000 . 5.000 2.962 2.493 3.539 . 0 0 "[ . 1 . 2 . 3]" 1 737 1 65 ALA MB 1 103 PHE HZ 4.000 . 6.500 3.166 2.566 3.794 . 0 0 "[ . 1 . 2 . 3]" 1 738 1 66 LYS H 1 66 LYS QE 4.000 . 6.000 4.559 3.322 4.973 . 0 0 "[ . 1 . 2 . 3]" 1 739 1 66 LYS H 1 66 LYS QG 3.000 . 4.500 2.220 2.056 2.291 . 0 0 "[ . 1 . 2 . 3]" 1 740 1 66 LYS H 1 66 LYS QD 3.000 . 4.500 3.771 3.605 4.187 . 0 0 "[ . 1 . 2 . 3]" 1 741 1 66 LYS H 1 66 LYS HB2 2.500 . 2.900 2.432 2.395 2.491 . 0 0 "[ . 1 . 2 . 3]" 1 742 1 66 LYS HB2 1 67 LYS H 2.500 . 2.900 2.548 2.430 2.630 . 0 0 "[ . 1 . 2 . 3]" 1 743 1 66 LYS HB3 1 70 ASN H 4.000 . 5.000 4.597 4.356 4.795 . 0 0 "[ . 1 . 2 . 3]" 1 744 1 66 LYS HA 1 95 MET ME 3.000 . 4.800 2.175 2.061 2.439 . 0 0 "[ . 1 . 2 . 3]" 1 745 1 66 LYS QG 1 95 MET ME 4.000 . 7.500 2.436 2.175 2.837 . 0 0 "[ . 1 . 2 . 3]" 1 746 1 66 LYS HB3 1 95 MET ME 3.000 . 4.800 3.936 3.669 4.130 . 0 0 "[ . 1 . 2 . 3]" 1 747 1 66 LYS QE 1 95 MET ME 4.000 . 7.500 3.985 3.580 4.745 . 0 0 "[ . 1 . 2 . 3]" 1 748 1 66 LYS QB 1 69 TYR H 4.000 . 6.000 4.999 4.850 5.107 . 0 0 "[ . 1 . 2 . 3]" 1 749 1 67 LYS H 1 67 LYS QG 4.000 . 6.000 2.201 1.961 2.316 . 0 0 "[ . 1 . 2 . 3]" 1 750 1 67 LYS H 1 67 LYS QD 4.000 . 6.000 3.751 3.359 4.278 . 0 0 "[ . 1 . 2 . 3]" 1 751 1 67 LYS H 1 67 LYS HB2 2.500 . 2.900 2.453 2.384 2.592 . 0 0 "[ . 1 . 2 . 3]" 1 752 1 67 LYS HB3 1 68 ILE H 4.000 . 5.000 3.444 3.293 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 753 1 67 LYS HB2 1 68 ILE H 4.000 . 5.000 2.445 2.353 2.652 . 0 0 "[ . 1 . 2 . 3]" 1 754 1 68 ILE HA 1 68 ILE MG 3.000 . 4.400 2.378 2.301 2.443 . 0 0 "[ . 1 . 2 . 3]" 1 755 1 68 ILE H 1 68 ILE MG 4.000 . 6.500 3.766 3.753 3.778 . 0 0 "[ . 1 . 2 . 3]" 1 756 1 68 ILE H 1 68 ILE MD 4.000 . 6.500 3.427 3.340 3.493 . 0 0 "[ . 1 . 2 . 3]" 1 757 1 68 ILE H 1 68 ILE HB 4.000 . 5.000 2.461 2.403 2.547 . 0 0 "[ . 1 . 2 . 3]" 1 758 1 68 ILE MD 1 69 TYR H 4.000 . 6.500 4.326 4.214 4.461 . 0 0 "[ . 1 . 2 . 3]" 1 759 1 68 ILE MG 1 72 PHE H 4.000 . 6.500 3.610 3.302 4.116 . 0 0 "[ . 1 . 2 . 3]" 1 760 1 68 ILE MG 1 73 ILE H 5.000 . 7.500 4.259 4.005 4.632 . 0 0 "[ . 1 . 2 . 3]" 1 761 1 68 ILE HA 1 72 PHE QD 4.000 . 5.000 2.404 2.275 2.807 . 0 0 "[ . 1 . 2 . 3]" 1 762 1 68 ILE MG 1 72 PHE QD 4.000 . 6.500 2.372 2.267 2.604 . 0 0 "[ . 1 . 2 . 3]" 1 763 1 68 ILE MG 1 72 PHE QE 4.000 . 6.500 3.666 3.343 3.962 . 0 0 "[ . 1 . 2 . 3]" 1 764 1 68 ILE MD 1 103 PHE HZ 4.000 . 6.500 4.154 3.485 4.861 . 0 0 "[ . 1 . 2 . 3]" 1 765 1 68 ILE MG 1 103 PHE QD 4.000 . 6.500 3.517 3.220 3.835 . 0 0 "[ . 1 . 2 . 3]" 1 766 1 68 ILE MG 1 72 PHE HB2 4.000 . 6.500 2.760 2.377 3.251 . 0 0 "[ . 1 . 2 . 3]" 1 767 1 69 TYR HA 1 69 TYR QD 4.000 . 5.000 2.939 2.889 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 768 1 69 TYR HA 1 69 TYR QE 4.000 . 5.000 4.646 4.608 4.686 . 0 0 "[ . 1 . 2 . 3]" 1 769 1 69 TYR H 1 69 TYR QD 4.000 . 5.000 4.193 4.179 4.217 . 0 0 "[ . 1 . 2 . 3]" 1 770 1 69 TYR H 1 69 TYR HB3 3.000 . 3.500 2.514 2.469 2.562 . 0 0 "[ . 1 . 2 . 3]" 1 771 1 69 TYR H 1 69 TYR HB2 3.000 . 3.500 2.569 2.509 2.618 . 0 0 "[ . 1 . 2 . 3]" 1 772 1 69 TYR HB3 1 70 ASN H 3.000 . 3.500 2.381 2.320 2.500 . 0 0 "[ . 1 . 2 . 3]" 1 773 1 69 TYR HB2 1 70 ASN H 4.000 . 5.000 3.779 3.723 3.863 . 0 0 "[ . 1 . 2 . 3]" 1 774 1 69 TYR HB3 1 71 GLU H 4.000 . 5.000 4.852 4.707 5.019 0.019 28 0 "[ . 1 . 2 . 3]" 1 775 1 69 TYR QD 1 70 ASN H 3.000 . 3.500 2.978 2.848 3.173 . 0 0 "[ . 1 . 2 . 3]" 1 776 1 69 TYR QD 1 74 SER H 4.000 . 5.000 4.489 3.487 4.822 . 0 0 "[ . 1 . 2 . 3]" 1 777 1 69 TYR QE 1 91 THR H 4.000 . 5.000 4.510 4.268 4.917 . 0 0 "[ . 1 . 2 . 3]" 1 778 1 69 TYR QE 1 73 ILE QG 4.000 . 6.000 3.803 3.610 4.005 . 0 0 "[ . 1 . 2 . 3]" 1 779 1 69 TYR QE 1 73 ILE MG 3.000 . 4.800 2.192 2.152 2.281 . 0 0 "[ . 1 . 2 . 3]" 1 780 1 69 TYR QD 1 73 ILE MG 4.000 . 6.500 2.796 2.576 2.922 . 0 0 "[ . 1 . 2 . 3]" 1 781 1 69 TYR QD 1 95 MET ME 3.000 . 4.800 2.789 2.427 3.152 . 0 0 "[ . 1 . 2 . 3]" 1 782 1 69 TYR QE 1 95 MET ME 4.000 . 6.500 3.855 3.035 4.470 . 0 0 "[ . 1 . 2 . 3]" 1 783 1 69 TYR HB3 1 95 MET ME 4.000 . 6.500 2.172 2.047 2.353 . 0 0 "[ . 1 . 2 . 3]" 1 784 1 69 TYR HB2 1 95 MET ME 4.000 . 6.500 2.409 2.148 3.040 . 0 0 "[ . 1 . 2 . 3]" 1 785 1 69 TYR QE 1 92 SER HA 4.000 . 5.000 3.024 2.571 3.571 . 0 0 "[ . 1 . 2 . 3]" 1 786 1 69 TYR QD 1 73 ILE MD 4.000 . 6.500 4.138 3.630 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 787 1 69 TYR QE 1 74 SER QB 4.000 . 6.000 4.244 2.403 5.278 . 0 0 "[ . 1 . 2 . 3]" 1 788 1 69 TYR QD 1 74 SER QB 4.000 . 6.000 4.294 2.811 5.347 . 0 0 "[ . 1 . 2 . 3]" 1 789 1 69 TYR QD 1 91 THR MG 4.000 . 6.500 2.175 2.049 2.504 . 0 0 "[ . 1 . 2 . 3]" 1 790 1 69 TYR QE 1 91 THR MG 3.000 . 4.800 3.450 3.154 3.720 . 0 0 "[ . 1 . 2 . 3]" 1 791 1 69 TYR HA 1 73 ILE MD 4.000 . 6.500 3.936 3.829 4.072 . 0 0 "[ . 1 . 2 . 3]" 1 792 1 69 TYR QE 1 73 ILE MD 4.000 . 6.500 4.470 3.897 4.676 . 0 0 "[ . 1 . 2 . 3]" 1 793 1 69 TYR HA 1 73 ILE HB 4.000 . 5.000 2.304 2.238 2.339 . 0 0 "[ . 1 . 2 . 3]" 1 794 1 69 TYR QE 1 74 SER HA 4.000 . 5.000 3.714 2.804 4.098 . 0 0 "[ . 1 . 2 . 3]" 1 795 1 69 TYR QD 1 70 ASN HA 4.000 . 5.000 2.801 2.651 2.952 . 0 0 "[ . 1 . 2 . 3]" 1 796 1 69 TYR QE 1 70 ASN HA 4.000 . 5.000 4.070 3.887 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 797 1 69 TYR QE 1 92 SER HB3 4.000 . 5.000 2.582 2.314 2.981 . 0 0 "[ . 1 . 2 . 3]" 1 798 1 69 TYR HB2 1 73 ILE MD 4.000 . 6.500 5.349 4.994 5.493 . 0 0 "[ . 1 . 2 . 3]" 1 799 1 69 TYR HA 1 73 ILE QG 4.000 . 6.000 2.206 2.106 2.354 . 0 0 "[ . 1 . 2 . 3]" 1 800 1 69 TYR H 1 73 ILE HB 4.000 . 5.000 5.032 4.970 5.079 0.079 7 0 "[ . 1 . 2 . 3]" 1 801 1 69 TYR H 1 95 MET ME 4.000 . 6.500 3.676 3.341 4.425 . 0 0 "[ . 1 . 2 . 3]" 1 802 1 69 TYR H 1 103 PHE HE2 4.000 . 5.000 4.469 3.934 5.640 0.640 11 1 "[ . 1+ . 2 . 3]" 1 803 1 69 TYR H 1 103 PHE HZ 4.000 . 5.000 3.466 2.924 4.065 . 0 0 "[ . 1 . 2 . 3]" 1 804 1 69 TYR QD 1 73 ILE QG 4.000 . 6.000 2.615 2.357 2.876 . 0 0 "[ . 1 . 2 . 3]" 1 805 1 69 TYR QD 1 74 SER HA 4.000 . 5.000 4.666 4.226 4.903 . 0 0 "[ . 1 . 2 . 3]" 1 806 1 69 TYR QE 1 91 THR HB 4.000 . 5.000 2.532 2.309 2.968 . 0 0 "[ . 1 . 2 . 3]" 1 807 1 69 TYR QE 1 92 SER H 4.000 . 5.000 2.732 2.449 2.987 . 0 0 "[ . 1 . 2 . 3]" 1 808 1 70 ASN H 1 70 ASN HB3 4.000 . 5.000 3.604 3.592 3.625 . 0 0 "[ . 1 . 2 . 3]" 1 809 1 70 ASN H 1 70 ASN HB2 3.000 . 3.500 2.426 2.387 2.553 . 0 0 "[ . 1 . 2 . 3]" 1 810 1 70 ASN H 1 70 ASN QD 4.000 . 6.000 3.512 3.023 3.781 . 0 0 "[ . 1 . 2 . 3]" 1 811 1 70 ASN HB3 1 71 GLU H 4.000 . 5.000 3.606 3.554 3.827 . 0 0 "[ . 1 . 2 . 3]" 1 812 1 70 ASN HB2 1 71 GLU H 3.000 . 3.500 2.677 2.615 2.770 . 0 0 "[ . 1 . 2 . 3]" 1 813 1 70 ASN HA 1 74 SER H 4.000 . 5.000 3.397 2.839 3.758 . 0 0 "[ . 1 . 2 . 3]" 1 814 1 70 ASN HA 1 74 SER QB 4.000 . 6.000 2.535 2.053 3.645 . 0 0 "[ . 1 . 2 . 3]" 1 815 1 70 ASN HA 1 74 SER HA 4.000 . 5.000 4.110 3.794 4.491 . 0 0 "[ . 1 . 2 . 3]" 1 816 1 71 GLU H 1 71 GLU QG 4.000 . 6.000 3.693 2.452 4.074 . 0 0 "[ . 1 . 2 . 3]" 1 817 1 71 GLU H 1 71 GLU HB3 3.000 . 3.500 2.728 2.470 3.609 0.109 25 0 "[ . 1 . 2 . 3]" 1 818 1 71 GLU H 1 71 GLU HB2 3.000 . 3.500 2.558 2.330 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 819 1 71 GLU QB 1 72 PHE H 3.000 . 4.500 2.357 1.991 3.178 . 0 0 "[ . 1 . 2 . 3]" 1 820 1 71 GLU QG 1 72 PHE H 4.000 . 6.000 3.457 2.894 4.401 . 0 0 "[ . 1 . 2 . 3]" 1 821 1 71 GLU QG 1 78 THR H 4.000 . 6.000 4.818 3.812 5.253 . 0 0 "[ . 1 . 2 . 3]" 1 822 1 71 GLU HA 1 77 ALA MB 4.000 . 6.500 3.572 2.852 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 823 1 72 PHE HA 1 72 PHE QD 4.000 . 5.000 2.864 2.756 2.950 . 0 0 "[ . 1 . 2 . 3]" 1 824 1 72 PHE H 1 72 PHE HB3 4.000 . 5.000 3.652 3.597 3.835 . 0 0 "[ . 1 . 2 . 3]" 1 825 1 72 PHE H 1 72 PHE HB2 3.000 . 3.500 2.428 2.325 2.689 . 0 0 "[ . 1 . 2 . 3]" 1 826 1 72 PHE HB2 1 73 ILE H 4.000 . 5.000 2.961 2.637 3.302 . 0 0 "[ . 1 . 2 . 3]" 1 827 1 72 PHE H 1 73 ILE MD 4.000 . 6.500 4.947 4.505 5.436 . 0 0 "[ . 1 . 2 . 3]" 1 828 1 72 PHE H 1 73 ILE HB 4.000 . 5.000 4.868 4.305 5.093 0.093 8 0 "[ . 1 . 2 . 3]" 1 829 1 72 PHE H 1 73 ILE QG 4.000 . 6.000 4.006 3.517 4.248 . 0 0 "[ . 1 . 2 . 3]" 1 830 1 72 PHE QD 1 81 VAL QG 4.000 . 4.700 2.136 2.020 2.596 . 0 0 "[ . 1 . 2 . 3]" 1 831 1 72 PHE HA 1 81 VAL QG 4.000 . 6.500 3.244 3.027 3.684 . 0 0 "[ . 1 . 2 . 3]" 1 832 1 72 PHE HA 1 77 ALA MB 4.000 . 6.500 2.997 2.533 3.477 . 0 0 "[ . 1 . 2 . 3]" 1 833 1 72 PHE HA 1 80 GLU HA 4.000 . 5.000 3.921 2.784 4.307 . 0 0 "[ . 1 . 2 . 3]" 1 834 1 72 PHE HB2 1 73 ILE MD 4.000 . 6.500 3.549 3.184 4.079 . 0 0 "[ . 1 . 2 . 3]" 1 835 1 73 ILE HA 1 73 ILE MG 3.000 . 4.400 2.284 2.253 2.347 . 0 0 "[ . 1 . 2 . 3]" 1 836 1 73 ILE HA 1 73 ILE MD 3.000 . 4.800 2.117 2.082 2.225 . 0 0 "[ . 1 . 2 . 3]" 1 837 1 73 ILE H 1 73 ILE MD 4.000 . 6.500 3.446 3.309 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 838 1 73 ILE H 1 73 ILE HG13 4.000 . 6.000 3.809 3.539 3.946 . 0 0 "[ . 1 . 2 . 3]" 1 839 1 73 ILE H 1 73 ILE HG12 4.000 . 6.000 2.411 2.293 2.552 . 0 0 "[ . 1 . 2 . 3]" 1 840 1 73 ILE HB 1 74 SER H 3.000 . 3.500 3.141 2.578 3.382 . 0 0 "[ . 1 . 2 . 3]" 1 841 1 73 ILE H 1 74 SER QB 4.000 . 6.000 4.421 4.063 4.724 . 0 0 "[ . 1 . 2 . 3]" 1 842 1 73 ILE H 1 74 SER HA 4.000 . 5.000 4.958 4.869 5.042 0.042 12 0 "[ . 1 . 2 . 3]" 1 843 1 73 ILE MD 1 74 SER H 4.000 . 6.500 4.704 4.633 4.965 . 0 0 "[ . 1 . 2 . 3]" 1 844 1 73 ILE QG 1 74 SER H 4.000 . 6.000 4.225 4.015 4.365 . 0 0 "[ . 1 . 2 . 3]" 1 845 1 73 ILE QG 1 81 VAL H 5.000 . 7.000 6.005 5.628 6.248 . 0 0 "[ . 1 . 2 . 3]" 1 846 1 73 ILE MD 1 103 PHE QD 4.000 . 6.500 4.229 3.366 5.145 . 0 0 "[ . 1 . 2 . 3]" 1 847 1 73 ILE MD 1 91 THR HB 4.000 . 6.500 3.868 3.013 4.122 . 0 0 "[ . 1 . 2 . 3]" 1 848 1 73 ILE MD 1 88 ARG HA 4.000 . 6.500 3.040 2.393 3.604 . 0 0 "[ . 1 . 2 . 3]" 1 849 1 73 ILE MD 1 106 ALA MB 3.000 . 6.300 3.516 3.066 4.011 . 0 0 "[ . 1 . 2 . 3]" 1 850 1 73 ILE MD 1 81 VAL QG 3.000 . 6.300 2.389 2.059 2.727 . 0 0 "[ . 1 . 2 . 3]" 1 851 1 73 ILE QG 1 91 THR HB 4.000 . 6.000 3.297 3.043 3.746 . 0 0 "[ . 1 . 2 . 3]" 1 852 1 73 ILE MD 1 91 THR MG 4.000 . 8.000 3.356 2.717 3.647 . 0 0 "[ . 1 . 2 . 3]" 1 853 1 73 ILE MG 1 91 THR MG 4.000 . 8.000 3.298 2.775 3.686 . 0 0 "[ . 1 . 2 . 3]" 1 854 1 73 ILE QG 1 91 THR MG 4.000 . 7.500 2.382 2.259 2.787 . 0 0 "[ . 1 . 2 . 3]" 1 855 1 73 ILE QG 1 81 VAL QG 3.000 . 5.800 3.841 3.483 4.196 . 0 0 "[ . 1 . 2 . 3]" 1 856 1 73 ILE MG 1 88 ARG HA 4.000 . 6.500 2.673 2.249 3.159 . 0 0 "[ . 1 . 2 . 3]" 1 857 1 73 ILE HA 1 81 VAL QG 4.000 . 6.500 3.306 2.979 3.602 . 0 0 "[ . 1 . 2 . 3]" 1 858 1 73 ILE MG 1 91 THR HB 4.000 . 6.500 2.635 2.309 3.192 . 0 0 "[ . 1 . 2 . 3]" 1 859 1 73 ILE MG 1 74 SER HA 4.000 . 6.500 3.689 3.414 3.841 . 0 0 "[ . 1 . 2 . 3]" 1 860 1 73 ILE MG 1 88 ARG HB3 4.000 . 6.500 2.481 2.199 3.273 . 0 0 "[ . 1 . 2 . 3]" 1 861 1 73 ILE MG 1 88 ARG HB2 4.000 . 6.500 3.874 3.546 4.385 . 0 0 "[ . 1 . 2 . 3]" 1 862 1 73 ILE MD 1 91 THR H 4.000 . 6.500 5.238 4.502 5.429 . 0 0 "[ . 1 . 2 . 3]" 1 863 1 73 ILE MD 1 103 PHE HE2 4.000 . 6.500 3.963 2.886 7.443 0.943 11 2 "[ . 1+ . - 2 . 3]" 1 864 1 73 ILE HA 1 83 LEU MD1 4.000 . 6.500 4.315 3.687 5.404 . 0 0 "[ . 1 . 2 . 3]" 1 865 1 73 ILE QG 1 83 LEU MD1 4.000 . 7.500 4.186 3.630 5.339 . 0 0 "[ . 1 . 2 . 3]" 1 866 1 73 ILE MG 1 88 ARG QD 4.000 . 7.500 3.074 2.264 4.242 . 0 0 "[ . 1 . 2 . 3]" 1 867 1 73 ILE MG 1 81 VAL QG 4.000 . 8.000 4.198 3.819 4.534 . 0 0 "[ . 1 . 2 . 3]" 1 868 1 73 ILE MG 1 88 ARG QG 4.000 . 7.500 2.563 2.217 3.949 . 0 0 "[ . 1 . 2 . 3]" 1 869 1 73 ILE MD 1 88 ARG QG 4.000 . 7.500 2.501 2.211 4.083 . 0 0 "[ . 1 . 2 . 3]" 1 870 1 74 SER H 1 74 SER QB 3.000 . 4.100 2.424 2.240 2.718 . 0 0 "[ . 1 . 2 . 3]" 1 871 1 74 SER QB 1 75 VAL H 3.000 . 4.500 3.379 2.937 3.814 . 0 0 "[ . 1 . 2 . 3]" 1 872 1 74 SER H 1 77 ALA MB 4.000 . 6.500 2.966 2.630 3.422 . 0 0 "[ . 1 . 2 . 3]" 1 873 1 74 SER QB 1 76 GLN H 4.000 . 6.000 2.677 2.216 3.378 . 0 0 "[ . 1 . 2 . 3]" 1 874 1 74 SER QB 1 77 ALA H 4.000 . 6.000 2.894 2.524 3.454 . 0 0 "[ . 1 . 2 . 3]" 1 875 1 74 SER QB 1 77 ALA MB 4.000 . 7.500 2.872 2.224 3.956 . 0 0 "[ . 1 . 2 . 3]" 1 876 1 75 VAL HA 1 75 VAL MG1 3.000 . 4.400 2.354 2.246 2.417 . 0 0 "[ . 1 . 2 . 3]" 1 877 1 75 VAL H 1 75 VAL MG1 2.500 . 4.400 2.085 1.870 2.488 . 0 0 "[ . 1 . 2 . 3]" 1 878 1 75 VAL H 1 75 VAL MG2 2.500 . 4.400 1.971 1.754 2.153 . 0 0 "[ . 1 . 2 . 3]" 1 879 1 75 VAL H 1 75 VAL HB 4.000 . 5.000 3.616 3.577 3.636 . 0 0 "[ . 1 . 2 . 3]" 1 880 1 75 VAL MG1 1 76 GLN QG 4.000 . 7.500 4.618 4.446 4.822 . 0 0 "[ . 1 . 2 . 3]" 1 881 1 75 VAL MG2 1 76 GLN QG 3.000 . 5.800 2.191 2.094 2.302 . 0 0 "[ . 1 . 2 . 3]" 1 882 1 75 VAL MG2 1 76 GLN H 3.000 . 5.000 2.487 2.303 2.722 . 0 0 "[ . 1 . 2 . 3]" 1 883 1 75 VAL MG2 1 76 GLN HA 4.000 . 6.500 3.644 3.460 3.979 . 0 0 "[ . 1 . 2 . 3]" 1 884 1 75 VAL MG1 1 88 ARG HD3 4.000 . 7.500 4.588 3.235 5.888 . 0 0 "[ . 1 . 2 . 3]" 1 885 1 75 VAL MG1 1 88 ARG HD2 4.000 . 7.500 4.646 3.684 6.153 . 0 0 "[ . 1 . 2 . 3]" 1 886 1 75 VAL MG1 1 88 ARG HB2 4.000 . 6.500 5.195 4.657 5.513 . 0 0 "[ . 1 . 2 . 3]" 1 887 1 76 GLN HA 1 76 GLN QG 3.000 . 4.100 2.404 2.307 2.911 . 0 0 "[ . 1 . 2 . 3]" 1 888 1 76 GLN H 1 76 GLN HB2 3.000 . 3.500 2.424 2.387 2.490 . 0 0 "[ . 1 . 2 . 3]" 1 889 1 76 GLN H 1 76 GLN HB3 4.000 . 5.000 3.660 3.639 3.688 . 0 0 "[ . 1 . 2 . 3]" 1 890 1 76 GLN HB2 1 77 ALA H 3.000 . 3.500 3.498 3.182 3.572 0.072 25 0 "[ . 1 . 2 . 3]" 1 891 1 76 GLN HB3 1 77 ALA H 4.000 . 5.000 4.218 4.097 4.267 . 0 0 "[ . 1 . 2 . 3]" 1 892 1 76 GLN HB3 1 77 ALA MB 4.000 . 6.500 5.435 5.334 5.481 . 0 0 "[ . 1 . 2 . 3]" 1 893 1 76 GLN HB2 1 77 ALA MB 4.000 . 6.500 4.892 4.598 4.986 . 0 0 "[ . 1 . 2 . 3]" 1 894 1 77 ALA H 1 77 ALA MB 2.500 . 4.000 2.239 2.157 2.271 . 0 0 "[ . 1 . 2 . 3]" 1 895 1 77 ALA MB 1 78 THR H 3.000 . 5.000 2.940 2.763 3.164 . 0 0 "[ . 1 . 2 . 3]" 1 896 1 77 ALA MB 1 79 LYS H 2.500 . 4.400 2.460 2.332 2.826 . 0 0 "[ . 1 . 2 . 3]" 1 897 1 77 ALA MB 1 80 GLU H 3.000 . 5.000 3.522 3.224 3.954 . 0 0 "[ . 1 . 2 . 3]" 1 898 1 77 ALA MB 1 79 LYS HA 4.000 . 6.500 4.488 4.330 4.770 . 0 0 "[ . 1 . 2 . 3]" 1 899 1 77 ALA MB 1 80 GLU HA 4.000 . 6.500 2.697 2.522 3.464 . 0 0 "[ . 1 . 2 . 3]" 1 900 1 77 ALA MB 1 80 GLU QB 4.000 . 7.500 3.862 3.695 4.159 . 0 0 "[ . 1 . 2 . 3]" 1 901 1 77 ALA MB 1 80 GLU QG 4.000 . 7.500 2.290 2.061 2.886 . 0 0 "[ . 1 . 2 . 3]" 1 902 1 77 ALA MB 1 79 LYS QE 4.000 . 7.500 4.666 4.057 5.472 . 0 0 "[ . 1 . 2 . 3]" 1 903 1 78 THR HA 1 78 THR MG 3.000 . 4.600 2.381 2.279 2.483 . 0 0 "[ . 1 . 2 . 3]" 1 904 1 78 THR H 1 78 THR MG 3.000 . 5.000 2.058 1.854 2.230 . 0 0 "[ . 1 . 2 . 3]" 1 905 1 78 THR HA 1 79 LYS H 4.000 . 5.000 3.445 3.403 3.541 . 0 0 "[ . 1 . 2 . 3]" 1 906 1 78 THR HB 1 79 LYS H 4.000 . 5.000 4.059 3.769 4.161 . 0 0 "[ . 1 . 2 . 3]" 1 907 1 79 LYS H 1 79 LYS QE 4.000 . 6.000 4.264 3.924 4.782 . 0 0 "[ . 1 . 2 . 3]" 1 908 1 79 LYS H 1 79 LYS HB3 3.000 . 3.500 3.390 3.098 3.511 0.011 7 0 "[ . 1 . 2 . 3]" 1 909 1 79 LYS H 1 79 LYS QG 3.000 . 4.500 2.051 1.775 2.208 . 0 0 "[ . 1 . 2 . 3]" 1 910 1 79 LYS HB2 1 80 GLU H 4.000 . 5.000 4.228 4.089 4.358 . 0 0 "[ . 1 . 2 . 3]" 1 911 1 79 LYS QG 1 80 GLU H 4.000 . 6.000 4.269 4.093 4.386 . 0 0 "[ . 1 . 2 . 3]" 1 912 1 80 GLU HB3 1 81 VAL H 3.000 . 3.500 2.970 2.586 3.104 . 0 0 "[ . 1 . 2 . 3]" 1 913 1 80 GLU HA 1 81 VAL QG 4.000 . 6.500 3.210 3.095 3.289 . 0 0 "[ . 1 . 2 . 3]" 1 914 1 80 GLU QG 1 81 VAL QG 4.000 . 7.500 4.490 4.343 4.784 . 0 0 "[ . 1 . 2 . 3]" 1 915 1 80 GLU QG 1 81 VAL H 3.000 . 4.500 3.974 3.822 4.318 . 0 0 "[ . 1 . 2 . 3]" 1 916 1 81 VAL H 1 81 VAL HB 4.000 . 5.000 3.630 3.581 3.728 . 0 0 "[ . 1 . 2 . 3]" 1 917 1 81 VAL H 1 81 VAL QG 2.500 . 4.400 1.775 1.709 1.874 . 0 0 "[ . 1 . 2 . 3]" 1 918 1 81 VAL HA 1 81 VAL QG 3.000 . 4.400 2.244 2.178 2.308 . 0 0 "[ . 1 . 2 . 3]" 1 919 1 81 VAL HB 1 82 ASN H 3.000 . 3.500 2.909 2.617 3.190 . 0 0 "[ . 1 . 2 . 3]" 1 920 1 81 VAL QG 1 82 ASN H 4.000 . 6.500 3.373 3.257 3.450 . 0 0 "[ . 1 . 2 . 3]" 1 921 1 81 VAL QG 1 83 LEU H 4.000 . 6.500 4.060 3.827 4.292 . 0 0 "[ . 1 . 2 . 3]" 1 922 1 81 VAL QG 1 110 ILE MD 3.000 . 6.300 3.322 3.002 3.678 . 0 0 "[ . 1 . 2 . 3]" 1 923 1 81 VAL QG 1 83 LEU MD1 2.500 . 5.700 1.976 1.914 2.059 . 0 0 "[ . 1 . 2 . 3]" 1 924 1 81 VAL QG 1 83 LEU MD2 4.000 . 8.000 3.646 3.378 4.117 . 0 0 "[ . 1 . 2 . 3]" 1 925 1 81 VAL QG 1 106 ALA MB 4.000 . 8.000 4.218 3.643 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 926 1 81 VAL QG 1 83 LEU HG 3.000 . 4.800 2.720 2.276 3.428 . 0 0 "[ . 1 . 2 . 3]" 1 927 1 82 ASN H 1 82 ASN HB3 2.500 . 2.900 2.857 2.633 2.912 0.012 13 0 "[ . 1 . 2 . 3]" 1 928 1 82 ASN H 1 82 ASN HB2 4.000 . 5.000 3.580 3.553 3.630 . 0 0 "[ . 1 . 2 . 3]" 1 929 1 82 ASN HB2 1 83 LEU H 4.000 . 5.000 3.816 3.667 3.960 . 0 0 "[ . 1 . 2 . 3]" 1 930 1 82 ASN HB3 1 83 LEU H 4.000 . 5.000 4.373 4.257 4.492 . 0 0 "[ . 1 . 2 . 3]" 1 931 1 82 ASN H 1 110 ILE MD 4.000 . 6.500 3.874 3.154 4.499 . 0 0 "[ . 1 . 2 . 3]" 1 932 1 82 ASN H 1 113 LEU QD 4.000 . 7.400 4.102 3.800 5.070 . 0 0 "[ . 1 . 2 . 3]" 1 933 1 82 ASN HA 1 113 LEU QD 4.000 . 7.400 4.274 4.015 5.084 . 0 0 "[ . 1 . 2 . 3]" 1 934 1 82 ASN HB2 1 110 ILE MD 4.000 . 6.500 4.809 4.027 5.410 . 0 0 "[ . 1 . 2 . 3]" 1 935 1 82 ASN HB3 1 113 LEU QD 4.000 . 7.400 3.344 2.910 4.384 . 0 0 "[ . 1 . 2 . 3]" 1 936 1 82 ASN HB2 1 113 LEU QD 3.000 . 5.700 2.404 2.038 3.495 . 0 0 "[ . 1 . 2 . 3]" 1 937 1 83 LEU H 1 83 LEU HG 3.000 . 3.500 3.335 3.207 3.534 0.034 10 0 "[ . 1 . 2 . 3]" 1 938 1 83 LEU H 1 83 LEU HB2 3.000 . 3.500 2.773 2.715 2.812 . 0 0 "[ . 1 . 2 . 3]" 1 939 1 83 LEU H 1 83 LEU HB3 4.000 . 5.000 3.868 3.813 3.895 . 0 0 "[ . 1 . 2 . 3]" 1 940 1 83 LEU HA 1 83 LEU MD2 2.500 . 4.200 2.158 2.131 2.198 . 0 0 "[ . 1 . 2 . 3]" 1 941 1 83 LEU HB3 1 83 LEU MD1 3.000 . 4.800 2.447 2.378 2.542 . 0 0 "[ . 1 . 2 . 3]" 1 942 1 83 LEU HB3 1 83 LEU MD2 3.000 . 4.800 2.250 2.210 2.264 . 0 0 "[ . 1 . 2 . 3]" 1 943 1 83 LEU MD1 1 84 ASP H 4.000 . 6.500 4.488 4.260 4.710 . 0 0 "[ . 1 . 2 . 3]" 1 944 1 83 LEU MD2 1 84 ASP H 4.000 . 6.500 3.174 2.973 3.401 . 0 0 "[ . 1 . 2 . 3]" 1 945 1 83 LEU HB3 1 84 ASP H 3.000 . 3.500 2.494 2.247 2.736 . 0 0 "[ . 1 . 2 . 3]" 1 946 1 83 LEU HB2 1 84 ASP H 4.000 . 5.000 3.718 3.568 3.855 . 0 0 "[ . 1 . 2 . 3]" 1 947 1 83 LEU HB3 1 87 THR H 4.000 . 5.000 4.740 4.474 5.105 0.105 9 0 "[ . 1 . 2 . 3]" 1 948 1 83 LEU MD2 1 109 LYS H 4.000 . 6.500 4.134 3.701 4.709 . 0 0 "[ . 1 . 2 . 3]" 1 949 1 83 LEU MD2 1 110 ILE H 4.000 . 6.500 3.448 3.028 3.842 . 0 0 "[ . 1 . 2 . 3]" 1 950 1 83 LEU HA 1 110 ILE MD 4.000 . 6.500 4.144 3.726 4.543 . 0 0 "[ . 1 . 2 . 3]" 1 951 1 83 LEU HG 1 110 ILE MD 3.000 . 4.800 3.066 2.529 3.456 . 0 0 "[ . 1 . 2 . 3]" 1 952 1 83 LEU MD2 1 110 ILE MD 2.500 . 5.700 2.142 1.974 2.356 . 0 0 "[ . 1 . 2 . 3]" 1 953 1 83 LEU HA 1 87 THR HB 4.000 . 5.000 4.581 4.197 5.105 0.105 3 0 "[ . 1 . 2 . 3]" 1 954 1 83 LEU MD1 1 87 THR HB 4.000 . 6.500 3.691 3.229 4.170 . 0 0 "[ . 1 . 2 . 3]" 1 955 1 83 LEU MD2 1 110 ILE HA 4.000 . 6.500 3.762 3.180 4.031 . 0 0 "[ . 1 . 2 . 3]" 1 956 1 83 LEU MD2 1 106 ALA HA 3.000 . 4.800 2.929 2.301 3.460 . 0 0 "[ . 1 . 2 . 3]" 1 957 1 83 LEU MD1 1 88 ARG HA 4.000 . 6.500 4.009 3.525 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 958 1 83 LEU MD2 1 109 LYS QB 3.000 . 5.800 2.110 1.862 2.592 . 0 0 "[ . 1 . 2 . 3]" 1 959 1 83 LEU MD1 1 106 ALA MB 4.000 . 8.000 2.552 2.126 3.139 . 0 0 "[ . 1 . 2 . 3]" 1 960 1 83 LEU MD2 1 106 ALA MB 4.000 . 8.000 2.946 2.309 3.649 . 0 0 "[ . 1 . 2 . 3]" 1 961 1 83 LEU MD2 1 88 ARG QG 4.000 . 7.500 4.530 4.025 5.713 . 0 0 "[ . 1 . 2 . 3]" 1 962 1 83 LEU MD2 1 87 THR MG 3.000 . 6.300 2.746 2.235 3.453 . 0 0 "[ . 1 . 2 . 3]" 1 963 1 83 LEU MD1 1 87 THR MG 4.000 . 8.000 2.697 2.322 3.403 . 0 0 "[ . 1 . 2 . 3]" 1 964 1 83 LEU HA 1 87 THR MG 4.000 . 6.500 4.724 4.138 5.349 . 0 0 "[ . 1 . 2 . 3]" 1 965 1 83 LEU MD1 1 91 THR MG 4.000 . 8.000 5.069 4.701 5.434 . 0 0 "[ . 1 . 2 . 3]" 1 966 1 83 LEU HA 1 113 LEU QD 4.000 . 7.400 3.974 3.062 5.038 . 0 0 "[ . 1 . 2 . 3]" 1 967 1 83 LEU MD2 1 109 LYS QD 4.000 . 7.500 3.859 3.394 4.174 . 0 0 "[ . 1 . 2 . 3]" 1 968 1 83 LEU MD2 1 110 ILE QG 4.000 . 7.500 2.606 2.213 3.069 . 0 0 "[ . 1 . 2 . 3]" 1 969 1 83 LEU MD1 1 88 ARG H 4.000 . 6.500 4.520 4.166 5.268 . 0 0 "[ . 1 . 2 . 3]" 1 970 1 84 ASP QB 1 85 SER H 3.000 . 4.500 2.655 2.371 3.492 . 0 0 "[ . 1 . 2 . 3]" 1 971 1 84 ASP QB 1 86 CYS H 4.000 . 6.000 2.579 2.337 3.081 . 0 0 "[ . 1 . 2 . 3]" 1 972 1 84 ASP QB 1 87 THR H 4.000 . 6.000 2.762 1.992 3.712 . 0 0 "[ . 1 . 2 . 3]" 1 973 1 84 ASP H 1 87 THR HB 4.000 . 5.000 3.004 2.491 3.457 . 0 0 "[ . 1 . 2 . 3]" 1 974 1 85 SER H 1 85 SER QB 3.000 . 4.100 2.400 2.269 2.519 . 0 0 "[ . 1 . 2 . 3]" 1 975 1 85 SER QB 1 86 CYS H 4.000 . 6.000 3.135 2.612 3.690 . 0 0 "[ . 1 . 2 . 3]" 1 976 1 86 CYS H 1 86 CYS QB 2.500 . 3.500 2.430 2.251 2.730 . 0 0 "[ . 1 . 2 . 3]" 1 977 1 86 CYS QB 1 87 THR H 3.000 . 4.500 2.775 2.413 3.530 . 0 0 "[ . 1 . 2 . 3]" 1 978 1 87 THR H 1 87 THR MG 4.000 . 6.500 3.778 3.761 3.789 . 0 0 "[ . 1 . 2 . 3]" 1 979 1 87 THR HB 1 88 ARG H 4.000 . 5.000 2.535 2.406 2.677 . 0 0 "[ . 1 . 2 . 3]" 1 980 1 87 THR MG 1 88 ARG H 4.000 . 6.500 3.416 3.198 3.620 . 0 0 "[ . 1 . 2 . 3]" 1 981 1 87 THR MG 1 90 GLU H 4.000 . 6.500 4.601 4.364 4.752 . 0 0 "[ . 1 . 2 . 3]" 1 982 1 87 THR MG 1 91 THR H 4.000 . 6.500 4.024 3.712 4.299 . 0 0 "[ . 1 . 2 . 3]" 1 983 1 87 THR MG 1 105 GLU H 4.000 . 6.500 5.158 4.619 5.427 . 0 0 "[ . 1 . 2 . 3]" 1 984 1 87 THR MG 1 106 ALA H 4.000 . 6.500 3.614 3.159 3.869 . 0 0 "[ . 1 . 2 . 3]" 1 985 1 87 THR MG 1 109 LYS H 4.000 . 6.500 4.568 4.192 4.987 . 0 0 "[ . 1 . 2 . 3]" 1 986 1 87 THR MG 1 105 GLU QB 3.000 . 5.800 3.153 2.455 3.697 . 0 0 "[ . 1 . 2 . 3]" 1 987 1 87 THR MG 1 105 GLU QG 3.000 . 5.800 3.235 2.128 4.322 . 0 0 "[ . 1 . 2 . 3]" 1 988 1 87 THR MG 1 109 LYS QB 4.000 . 7.500 3.347 2.572 4.013 . 0 0 "[ . 1 . 2 . 3]" 1 989 1 87 THR HB 1 106 ALA MB 4.000 . 6.500 4.821 4.461 5.262 . 0 0 "[ . 1 . 2 . 3]" 1 990 1 87 THR MG 1 106 ALA MB 3.000 . 6.300 2.617 2.247 2.925 . 0 0 "[ . 1 . 2 . 3]" 1 991 1 87 THR HA 1 90 GLU QG 4.000 . 6.000 4.085 2.676 4.622 . 0 0 "[ . 1 . 2 . 3]" 1 992 1 87 THR MG 1 109 LYS QD 4.000 . 7.500 4.364 3.729 4.792 . 0 0 "[ . 1 . 2 . 3]" 1 993 1 87 THR MG 1 106 ALA HA 3.000 . 4.800 2.301 2.114 2.614 . 0 0 "[ . 1 . 2 . 3]" 1 994 1 88 ARG H 1 88 ARG HB3 4.000 . 5.000 3.616 3.575 3.642 . 0 0 "[ . 1 . 2 . 3]" 1 995 1 88 ARG H 1 88 ARG HB2 3.000 . 3.500 2.459 2.286 2.634 . 0 0 "[ . 1 . 2 . 3]" 1 996 1 88 ARG H 1 88 ARG HG3 3.000 . 4.500 2.440 2.048 4.090 . 0 0 "[ . 1 . 2 . 3]" 1 997 1 88 ARG H 1 88 ARG HG2 3.000 . 4.500 3.355 1.842 3.875 . 0 0 "[ . 1 . 2 . 3]" 1 998 1 88 ARG HA 1 88 ARG HG3 4.000 . 5.600 3.023 2.374 3.801 . 0 0 "[ . 1 . 2 . 3]" 1 999 1 88 ARG HA 1 88 ARG HG2 4.000 . 5.600 2.538 2.325 3.679 . 0 0 "[ . 1 . 2 . 3]" 1 1000 1 88 ARG H 1 88 ARG QD 4.000 . 6.000 3.796 1.774 4.347 . 0 0 "[ . 1 . 2 . 3]" 1 1001 1 88 ARG HB2 1 89 GLU H 3.000 . 3.500 2.451 2.263 2.671 . 0 0 "[ . 1 . 2 . 3]" 1 1002 1 88 ARG HB3 1 89 GLU H 4.000 . 5.000 3.427 3.206 3.672 . 0 0 "[ . 1 . 2 . 3]" 1 1003 1 88 ARG QD 1 89 GLU H 4.000 . 6.000 4.747 4.044 5.314 . 0 0 "[ . 1 . 2 . 3]" 1 1004 1 88 ARG QG 1 89 GLU H 4.000 . 6.000 4.039 3.762 4.485 . 0 0 "[ . 1 . 2 . 3]" 1 1005 1 88 ARG QG 1 91 THR H 4.000 . 6.000 5.348 5.235 5.536 . 0 0 "[ . 1 . 2 . 3]" 1 1006 1 88 ARG QB 1 91 THR H 4.000 . 6.000 4.793 4.615 4.954 . 0 0 "[ . 1 . 2 . 3]" 1 1007 1 89 GLU HA 1 89 GLU QG 3.000 . 3.900 2.347 2.296 2.760 . 0 0 "[ . 1 . 2 . 3]" 1 1008 1 89 GLU H 1 89 GLU HB2 2.500 . 2.900 2.426 2.396 2.463 . 0 0 "[ . 1 . 2 . 3]" 1 1009 1 89 GLU H 1 89 GLU HB3 4.000 . 5.000 3.608 3.597 3.621 . 0 0 "[ . 1 . 2 . 3]" 1 1010 1 89 GLU H 1 89 GLU QG 2.500 . 3.900 2.286 2.162 3.109 . 0 0 "[ . 1 . 2 . 3]" 1 1011 1 90 GLU H 1 90 GLU QG 3.000 . 4.500 3.651 2.213 4.074 . 0 0 "[ . 1 . 2 . 3]" 1 1012 1 90 GLU H 1 90 GLU QB 3.000 . 4.100 2.297 2.256 2.418 . 0 0 "[ . 1 . 2 . 3]" 1 1013 1 90 GLU QB 1 91 THR H 3.000 . 4.500 2.577 2.456 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 1014 1 90 GLU QG 1 91 THR H 4.000 . 6.000 3.761 3.415 4.245 . 0 0 "[ . 1 . 2 . 3]" 1 1015 1 90 GLU QG 1 105 GLU QB 4.000 . 7.000 4.496 3.384 5.460 . 0 0 "[ . 1 . 2 . 3]" 1 1016 1 90 GLU H 1 91 THR HG1 4.000 . 6.000 5.086 3.982 5.959 . 0 0 "[ . 1 . 2 . 3]" 1 1017 1 91 THR HA 1 91 THR MG 3.000 . 4.400 2.294 2.233 2.402 . 0 0 "[ . 1 . 2 . 3]" 1 1018 1 91 THR H 1 91 THR HG1 3.000 . 4.500 2.693 1.652 3.443 . 0 0 "[ . 1 . 2 . 3]" 1 1019 1 91 THR H 1 91 THR MG 4.000 . 6.500 3.757 3.700 3.785 . 0 0 "[ . 1 . 2 . 3]" 1 1020 1 91 THR H 1 91 THR HB 2.500 . 2.900 2.749 2.565 2.949 0.049 10 0 "[ . 1 . 2 . 3]" 1 1021 1 91 THR HB 1 92 SER H 2.500 . 2.900 2.578 2.441 2.669 . 0 0 "[ . 1 . 2 . 3]" 1 1022 1 91 THR HG1 1 92 SER H 4.000 . 6.000 4.322 3.577 4.886 . 0 0 "[ . 1 . 2 . 3]" 1 1023 1 91 THR MG 1 102 CYS HB3 4.000 . 6.500 4.771 4.300 5.164 . 0 0 "[ . 1 . 2 . 3]" 1 1024 1 91 THR MG 1 94 ASN H 4.000 . 6.500 4.462 4.226 4.675 . 0 0 "[ . 1 . 2 . 3]" 1 1025 1 91 THR MG 1 95 MET H 4.000 . 6.500 4.358 3.551 4.968 . 0 0 "[ . 1 . 2 . 3]" 1 1026 1 91 THR MG 1 103 PHE HE2 4.000 . 6.500 2.868 2.266 4.276 . 0 0 "[ . 1 . 2 . 3]" 1 1027 1 91 THR MG 1 103 PHE HA 4.000 . 6.500 3.690 3.164 4.463 . 0 0 "[ . 1 . 2 . 3]" 1 1028 1 91 THR MG 1 94 ASN HB2 4.000 . 6.500 3.347 2.975 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 1029 1 91 THR MG 1 92 SER HB3 4.000 . 6.500 5.027 4.700 5.344 . 0 0 "[ . 1 . 2 . 3]" 1 1030 1 91 THR HB 1 95 MET ME 4.000 . 6.500 5.365 4.620 5.624 . 0 0 "[ . 1 . 2 . 3]" 1 1031 1 91 THR MG 1 95 MET ME 4.000 . 8.000 3.818 2.679 4.368 . 0 0 "[ . 1 . 2 . 3]" 1 1032 1 92 SER H 1 92 SER HB3 2.500 . 2.900 2.432 2.306 2.602 . 0 0 "[ . 1 . 2 . 3]" 1 1033 1 92 SER H 1 92 SER HB2 4.000 . 5.000 3.608 3.572 3.633 . 0 0 "[ . 1 . 2 . 3]" 1 1034 1 92 SER QB 1 93 ARG H 4.000 . 6.000 3.383 3.261 3.438 . 0 0 "[ . 1 . 2 . 3]" 1 1035 1 92 SER H 1 93 ARG HB2 4.000 . 5.000 4.846 4.743 5.065 0.065 15 0 "[ . 1 . 2 . 3]" 1 1036 1 92 SER HA 1 95 MET QG 4.000 . 6.000 2.490 2.098 3.522 . 0 0 "[ . 1 . 2 . 3]" 1 1037 1 93 ARG HA 1 93 ARG HG3 4.000 . 5.600 3.105 2.746 3.793 . 0 0 "[ . 1 . 2 . 3]" 1 1038 1 93 ARG HA 1 93 ARG HG2 4.000 . 5.600 2.504 2.310 2.943 . 0 0 "[ . 1 . 2 . 3]" 1 1039 1 93 ARG H 1 93 ARG QD 4.000 . 6.000 3.928 3.498 4.403 . 0 0 "[ . 1 . 2 . 3]" 1 1040 1 93 ARG H 1 93 ARG QG 2.500 . 3.900 2.279 2.047 2.486 . 0 0 "[ . 1 . 2 . 3]" 1 1041 1 93 ARG H 1 93 ARG HB2 2.500 . 2.900 2.420 2.377 2.528 . 0 0 "[ . 1 . 2 . 3]" 1 1042 1 93 ARG HB2 1 94 ASN H 2.500 . 2.900 2.677 2.461 2.907 0.007 6 0 "[ . 1 . 2 . 3]" 1 1043 1 93 ARG QG 1 94 ASN H 4.000 . 6.000 4.096 3.839 4.249 . 0 0 "[ . 1 . 2 . 3]" 1 1044 1 93 ARG H 1 96 LEU QD 4.000 . 7.400 4.954 4.462 5.472 . 0 0 "[ . 1 . 2 . 3]" 1 1045 1 93 ARG HA 1 96 LEU QD 3.000 . 5.700 2.755 2.242 3.373 . 0 0 "[ . 1 . 2 . 3]" 1 1046 1 94 ASN H 1 94 ASN HB2 2.500 . 2.900 2.424 2.388 2.540 . 0 0 "[ . 1 . 2 . 3]" 1 1047 1 94 ASN HB2 1 95 MET H 3.000 . 3.500 3.003 2.652 3.242 . 0 0 "[ . 1 . 2 . 3]" 1 1048 1 94 ASN H 1 96 LEU QD 4.000 . 7.400 5.056 4.392 5.592 . 0 0 "[ . 1 . 2 . 3]" 1 1049 1 94 ASN HB3 1 99 THR H 4.000 . 5.000 3.348 2.893 3.934 . 0 0 "[ . 1 . 2 . 3]" 1 1050 1 94 ASN HB3 1 102 CYS HA 4.000 . 5.000 3.255 2.320 4.224 . 0 0 "[ . 1 . 2 . 3]" 1 1051 1 94 ASN HB2 1 102 CYS HA 4.000 . 5.000 3.869 3.189 4.860 . 0 0 "[ . 1 . 2 . 3]" 1 1052 1 94 ASN HB3 1 102 CYS HB3 4.000 . 5.000 3.918 3.697 4.422 . 0 0 "[ . 1 . 2 . 3]" 1 1053 1 94 ASN HB3 1 98 PRO HA 4.000 . 5.000 3.155 2.329 4.396 . 0 0 "[ . 1 . 2 . 3]" 1 1054 1 95 MET QB 1 95 MET ME 3.000 . 5.800 2.583 2.050 3.668 . 0 0 "[ . 1 . 2 . 3]" 1 1055 1 95 MET H 1 95 MET HB2 3.000 . 3.500 2.561 2.355 2.734 . 0 0 "[ . 1 . 2 . 3]" 1 1056 1 95 MET H 1 95 MET HB3 4.000 . 5.000 3.618 3.593 3.645 . 0 0 "[ . 1 . 2 . 3]" 1 1057 1 95 MET H 1 95 MET QG 3.000 . 4.500 2.088 1.781 3.343 . 0 0 "[ . 1 . 2 . 3]" 1 1058 1 95 MET HB3 1 96 LEU H 4.000 . 5.000 3.782 3.460 3.968 . 0 0 "[ . 1 . 2 . 3]" 1 1059 1 95 MET HB2 1 96 LEU H 4.000 . 5.000 2.742 2.564 2.974 . 0 0 "[ . 1 . 2 . 3]" 1 1060 1 95 MET QG 1 96 LEU H 4.000 . 6.000 4.004 3.740 4.472 . 0 0 "[ . 1 . 2 . 3]" 1 1061 1 95 MET HA 1 98 PRO QD 4.000 . 6.000 3.683 3.481 3.969 . 0 0 "[ . 1 . 2 . 3]" 1 1062 1 95 MET HA 1 98 PRO QB 4.000 . 6.000 3.937 3.593 4.316 . 0 0 "[ . 1 . 2 . 3]" 1 1063 1 95 MET ME 1 103 PHE HZ 4.000 . 6.500 3.963 2.725 4.862 . 0 0 "[ . 1 . 2 . 3]" 1 1064 1 95 MET ME 1 103 PHE HE1 4.000 . 6.500 4.899 3.749 5.506 . 0 0 "[ . 1 . 2 . 3]" 1 1065 1 95 MET HB3 1 96 LEU QD 4.000 . 7.400 4.047 3.250 5.195 . 0 0 "[ . 1 . 2 . 3]" 1 1066 1 95 MET HA 1 98 PRO HA 4.000 . 5.000 3.942 3.290 4.526 . 0 0 "[ . 1 . 2 . 3]" 1 1067 1 95 MET HA 1 98 PRO QG 4.000 . 6.000 3.180 2.718 3.879 . 0 0 "[ . 1 . 2 . 3]" 1 1068 1 96 LEU HA 1 96 LEU QD 3.000 . 5.000 2.267 2.094 2.733 . 0 0 "[ . 1 . 2 . 3]" 1 1069 1 96 LEU H 1 96 LEU QD 3.000 . 5.200 2.717 1.728 3.525 . 0 0 "[ . 1 . 2 . 3]" 1 1070 1 96 LEU H 1 96 LEU HB2 2.500 . 2.900 2.494 2.253 2.643 . 0 0 "[ . 1 . 2 . 3]" 1 1071 1 96 LEU H 1 96 LEU HB3 4.000 . 5.000 3.587 2.793 3.633 . 0 0 "[ . 1 . 2 . 3]" 1 1072 1 96 LEU HB2 1 97 GLU H 3.000 . 3.500 2.830 2.557 3.620 0.120 11 0 "[ . 1 . 2 . 3]" 1 1073 1 96 LEU H 1 98 PRO QD 4.000 . 6.000 4.354 4.115 4.596 . 0 0 "[ . 1 . 2 . 3]" 1 1074 1 96 LEU MD1 1 97 GLU H 4.000 . 6.500 4.405 3.646 4.868 . 0 0 "[ . 1 . 2 . 3]" 1 1075 1 96 LEU MD2 1 97 GLU H 4.000 . 6.500 4.644 4.478 4.824 . 0 0 "[ . 1 . 2 . 3]" 1 1076 1 97 GLU H 1 97 GLU QB 3.000 . 4.100 2.766 2.629 3.258 . 0 0 "[ . 1 . 2 . 3]" 1 1077 1 97 GLU H 1 97 GLU QG 4.000 . 6.000 3.145 2.135 4.334 . 0 0 "[ . 1 . 2 . 3]" 1 1078 1 97 GLU H 1 98 PRO QD 2.500 . 3.900 2.970 2.825 3.066 . 0 0 "[ . 1 . 2 . 3]" 1 1079 1 97 GLU QB 1 99 THR H 4.000 . 6.000 5.095 4.650 5.456 . 0 0 "[ . 1 . 2 . 3]" 1 1080 1 97 GLU HA 1 98 PRO QD 3.000 . 4.300 2.140 2.117 2.162 . 0 0 "[ . 1 . 2 . 3]" 1 1081 1 97 GLU QB 1 98 PRO QD 4.000 . 7.000 3.726 3.661 3.812 . 0 0 "[ . 1 . 2 . 3]" 1 1082 1 97 GLU QG 1 99 THR MG 4.000 . 7.500 4.238 2.298 5.229 . 0 0 "[ . 1 . 2 . 3]" 1 1083 1 97 GLU HB3 1 99 THR MG 4.000 . 6.500 3.472 2.877 4.490 . 0 0 "[ . 1 . 2 . 3]" 1 1084 1 97 GLU HB2 1 99 THR MG 4.000 . 6.500 3.835 2.812 4.769 . 0 0 "[ . 1 . 2 . 3]" 1 1085 1 98 PRO QB 1 99 THR H 3.000 . 4.500 3.496 3.236 3.670 . 0 0 "[ . 1 . 2 . 3]" 1 1086 1 98 PRO HA 1 99 THR MG 4.000 . 6.500 3.809 3.466 4.027 . 0 0 "[ . 1 . 2 . 3]" 1 1087 1 99 THR HA 1 99 THR MG 2.500 . 3.800 2.369 2.292 2.451 . 0 0 "[ . 1 . 2 . 3]" 1 1088 1 99 THR H 1 99 THR MG 3.000 . 5.000 2.848 2.606 3.045 . 0 0 "[ . 1 . 2 . 3]" 1 1089 1 99 THR HB 1 100 ILE H 3.000 . 3.500 2.363 2.189 2.522 . 0 0 "[ . 1 . 2 . 3]" 1 1090 1 99 THR H 1 102 CYS H 4.000 . 5.000 3.568 3.347 3.790 . 0 0 "[ . 1 . 2 . 3]" 1 1091 1 99 THR H 1 102 CYS HB2 4.000 . 5.000 2.138 1.853 2.310 . 0 0 "[ . 1 . 2 . 3]" 1 1092 1 99 THR H 1 102 CYS HA 4.000 . 5.000 4.192 3.999 4.484 . 0 0 "[ . 1 . 2 . 3]" 1 1093 1 99 THR MG 1 100 ILE H 4.000 . 6.500 3.693 3.547 3.926 . 0 0 "[ . 1 . 2 . 3]" 1 1094 1 99 THR MG 1 101 THR H 4.000 . 6.500 4.131 4.042 4.206 . 0 0 "[ . 1 . 2 . 3]" 1 1095 1 99 THR HB 1 100 ILE MG 4.000 . 6.500 3.304 3.060 3.497 . 0 0 "[ . 1 . 2 . 3]" 1 1096 1 99 THR HB 1 101 THR MG 4.000 . 6.500 3.778 3.448 4.053 . 0 0 "[ . 1 . 2 . 3]" 1 1097 1 99 THR MG 1 100 ILE MG 4.000 . 8.000 4.527 4.176 4.754 . 0 0 "[ . 1 . 2 . 3]" 1 1098 1 100 ILE H 1 100 ILE QG 4.000 . 6.000 4.082 4.028 4.098 . 0 0 "[ . 1 . 2 . 3]" 1 1099 1 100 ILE H 1 100 ILE MD 4.000 . 6.500 3.994 3.941 4.100 . 0 0 "[ . 1 . 2 . 3]" 1 1100 1 100 ILE H 1 100 ILE MG 3.000 . 5.000 2.116 1.789 2.239 . 0 0 "[ . 1 . 2 . 3]" 1 1101 1 100 ILE HA 1 100 ILE MD 3.000 . 4.800 2.156 2.096 2.180 . 0 0 "[ . 1 . 2 . 3]" 1 1102 1 100 ILE HA 1 100 ILE MG 3.000 . 4.400 3.198 3.193 3.206 . 0 0 "[ . 1 . 2 . 3]" 1 1103 1 100 ILE HB 1 100 ILE MD 2.500 . 4.200 2.249 2.231 2.350 . 0 0 "[ . 1 . 2 . 3]" 1 1104 1 100 ILE HB 1 101 THR H 4.000 . 5.000 4.076 4.024 4.255 . 0 0 "[ . 1 . 2 . 3]" 1 1105 1 100 ILE MG 1 101 THR H 3.000 . 5.000 2.381 2.259 2.620 . 0 0 "[ . 1 . 2 . 3]" 1 1106 1 100 ILE QG 1 101 THR H 4.000 . 6.000 4.143 4.077 4.251 . 0 0 "[ . 1 . 2 . 3]" 1 1107 1 100 ILE MG 1 102 CYS H 4.000 . 6.500 4.236 4.181 4.369 . 0 0 "[ . 1 . 2 . 3]" 1 1108 1 100 ILE HB 1 102 CYS H 5.000 3.000 6.000 5.454 5.402 5.532 . 0 0 "[ . 1 . 2 . 3]" 1 1109 1 100 ILE MG 1 101 THR MG 3.000 . 6.300 2.091 2.013 2.223 . 0 0 "[ . 1 . 2 . 3]" 1 1110 1 101 THR HA 1 101 THR MG 3.000 . 4.400 2.341 2.297 2.405 . 0 0 "[ . 1 . 2 . 3]" 1 1111 1 101 THR H 1 101 THR MG 3.000 . 5.000 2.384 2.263 2.480 . 0 0 "[ . 1 . 2 . 3]" 1 1112 1 101 THR H 1 102 CYS HA 4.000 . 5.000 4.725 4.640 4.802 . 0 0 "[ . 1 . 2 . 3]" 1 1113 1 101 THR HB 1 104 ASP HB3 4.000 . 5.000 4.702 4.152 4.977 . 0 0 "[ . 1 . 2 . 3]" 1 1114 1 101 THR HB 1 104 ASP HB2 4.000 . 5.000 3.316 2.837 3.579 . 0 0 "[ . 1 . 2 . 3]" 1 1115 1 102 CYS H 1 102 CYS HB3 2.500 . 2.900 2.423 2.327 2.679 . 0 0 "[ . 1 . 2 . 3]" 1 1116 1 102 CYS H 1 102 CYS HB2 2.500 . 2.900 2.670 2.419 2.766 . 0 0 "[ . 1 . 2 . 3]" 1 1117 1 102 CYS HB3 1 103 PHE H 4.000 . 5.000 2.326 2.034 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 1118 1 102 CYS HB2 1 103 PHE H 4.000 . 5.000 3.786 3.531 4.004 . 0 0 "[ . 1 . 2 . 3]" 1 1119 1 102 CYS HB3 1 104 ASP H 4.000 . 5.000 4.440 4.226 4.717 . 0 0 "[ . 1 . 2 . 3]" 1 1120 1 103 PHE H 1 103 PHE HB3 4.000 . 5.000 3.633 3.598 3.658 . 0 0 "[ . 1 . 2 . 3]" 1 1121 1 103 PHE H 1 103 PHE HB2 3.000 . 3.500 2.371 2.305 2.423 . 0 0 "[ . 1 . 2 . 3]" 1 1122 1 103 PHE H 1 103 PHE QD 3.000 . 3.500 2.321 2.099 2.479 . 0 0 "[ . 1 . 2 . 3]" 1 1123 1 103 PHE HA 1 103 PHE QD 4.000 . 5.000 2.968 2.849 3.082 . 0 0 "[ . 1 . 2 . 3]" 1 1124 1 103 PHE HB3 1 104 ASP H 4.000 . 5.000 4.165 4.042 4.254 . 0 0 "[ . 1 . 2 . 3]" 1 1125 1 103 PHE H 1 104 ASP HA 4.000 . 5.000 4.865 4.792 4.929 . 0 0 "[ . 1 . 2 . 3]" 1 1126 1 103 PHE QD 1 104 ASP H 4.000 . 5.000 4.507 4.293 4.628 . 0 0 "[ . 1 . 2 . 3]" 1 1127 1 103 PHE HB2 1 107 GLN H 5.000 3.000 6.000 5.233 4.461 5.614 . 0 0 "[ . 1 . 2 . 3]" 1 1128 1 103 PHE HA 1 106 ALA MB 4.000 . 6.500 2.733 2.392 2.942 . 0 0 "[ . 1 . 2 . 3]" 1 1129 1 103 PHE QD 1 106 ALA MB 4.000 . 6.500 3.091 2.658 3.476 . 0 0 "[ . 1 . 2 . 3]" 1 1130 1 104 ASP H 1 104 ASP HB3 4.000 . 5.000 3.633 3.618 3.645 . 0 0 "[ . 1 . 2 . 3]" 1 1131 1 104 ASP H 1 104 ASP HB2 2.500 . 2.900 2.455 2.374 2.512 . 0 0 "[ . 1 . 2 . 3]" 1 1132 1 104 ASP HB3 1 105 GLU H 4.000 . 5.000 3.585 3.508 3.640 . 0 0 "[ . 1 . 2 . 3]" 1 1133 1 104 ASP HB2 1 105 GLU H 3.000 . 3.500 2.645 2.603 2.735 . 0 0 "[ . 1 . 2 . 3]" 1 1134 1 104 ASP H 1 105 GLU QB 4.000 . 6.000 4.511 4.365 4.779 . 0 0 "[ . 1 . 2 . 3]" 1 1135 1 104 ASP HB2 1 105 GLU HA 4.000 . 5.000 4.406 4.337 4.592 . 0 0 "[ . 1 . 2 . 3]" 1 1136 1 105 GLU QB 1 106 ALA H 3.000 . 4.500 2.640 2.536 3.451 . 0 0 "[ . 1 . 2 . 3]" 1 1137 1 105 GLU H 1 106 ALA MB 4.000 . 6.500 4.356 4.249 4.451 . 0 0 "[ . 1 . 2 . 3]" 1 1138 1 106 ALA H 1 106 ALA MB 2.500 . 4.000 2.239 2.143 2.272 . 0 0 "[ . 1 . 2 . 3]" 1 1139 1 106 ALA MB 1 107 GLN H 3.000 . 5.000 2.451 2.166 2.623 . 0 0 "[ . 1 . 2 . 3]" 1 1140 1 106 ALA MB 1 107 GLN HA 4.000 . 6.500 3.826 3.770 3.868 . 0 0 "[ . 1 . 2 . 3]" 1 1141 1 106 ALA MB 1 108 LYS H 4.000 . 6.500 4.447 4.284 4.564 . 0 0 "[ . 1 . 2 . 3]" 1 1142 1 106 ALA HA 1 109 LYS QD 4.000 . 6.000 5.007 4.760 5.332 . 0 0 "[ . 1 . 2 . 3]" 1 1143 1 107 GLN H 1 107 GLN QB 2.500 . 3.400 2.300 2.262 2.420 . 0 0 "[ . 1 . 2 . 3]" 1 1144 1 107 GLN H 1 107 GLN QG 4.000 . 6.000 3.932 2.282 4.011 . 0 0 "[ . 1 . 2 . 3]" 1 1145 1 107 GLN QB 1 108 LYS H 4.000 . 6.000 2.556 2.442 2.646 . 0 0 "[ . 1 . 2 . 3]" 1 1146 1 107 GLN QG 1 108 LYS H 4.000 . 6.000 3.626 3.497 4.122 . 0 0 "[ . 1 . 2 . 3]" 1 1147 1 107 GLN HA 1 110 ILE QG 4.000 . 6.000 2.795 2.374 3.294 . 0 0 "[ . 1 . 2 . 3]" 1 1148 1 107 GLN QG 1 111 PHE H 4.000 . 6.000 3.784 3.439 5.362 . 0 0 "[ . 1 . 2 . 3]" 1 1149 1 108 LYS H 1 108 LYS QB 2.500 . 3.500 2.267 2.243 2.297 . 0 0 "[ . 1 . 2 . 3]" 1 1150 1 108 LYS H 1 108 LYS QD 4.000 . 6.000 4.475 4.367 4.794 . 0 0 "[ . 1 . 2 . 3]" 1 1151 1 108 LYS H 1 108 LYS QG 4.000 . 6.000 3.979 3.964 3.993 . 0 0 "[ . 1 . 2 . 3]" 1 1152 1 108 LYS HA 1 108 LYS QD 4.000 . 6.000 3.970 3.858 4.179 . 0 0 "[ . 1 . 2 . 3]" 1 1153 1 108 LYS QB 1 109 LYS H 4.000 . 6.000 2.533 2.434 2.602 . 0 0 "[ . 1 . 2 . 3]" 1 1154 1 108 LYS QD 1 109 LYS H 4.000 . 6.000 4.624 4.371 5.208 . 0 0 "[ . 1 . 2 . 3]" 1 1155 1 108 LYS H 1 111 PHE HD1 5.000 3.000 6.000 5.893 5.323 6.122 0.122 24 0 "[ . 1 . 2 . 3]" 1 1156 1 108 LYS QE 1 109 LYS QD 4.000 . 7.000 4.909 3.678 5.668 . 0 0 "[ . 1 . 2 . 3]" 1 1157 1 108 LYS HA 1 111 PHE HD1 4.000 . 5.000 4.633 3.870 5.063 0.063 26 0 "[ . 1 . 2 . 3]" 1 1158 1 109 LYS HA 1 109 LYS QD 3.000 . 4.300 2.195 2.143 2.245 . 0 0 "[ . 1 . 2 . 3]" 1 1159 1 109 LYS H 1 109 LYS QD 3.000 . 4.500 3.760 3.426 4.119 . 0 0 "[ . 1 . 2 . 3]" 1 1160 1 109 LYS H 1 109 LYS QB 3.000 . 4.100 2.405 2.248 2.484 . 0 0 "[ . 1 . 2 . 3]" 1 1161 1 109 LYS QB 1 110 ILE H 2.500 . 3.900 2.613 2.531 2.771 . 0 0 "[ . 1 . 2 . 3]" 1 1162 1 109 LYS H 1 112 ASN HB2 5.000 3.000 6.000 5.100 4.857 5.826 . 0 0 "[ . 1 . 2 . 3]" 1 1163 1 109 LYS QB 1 112 ASN H 4.000 . 6.000 5.002 4.820 5.189 . 0 0 "[ . 1 . 2 . 3]" 1 1164 1 109 LYS QD 1 112 ASN H 4.000 . 6.000 5.169 4.568 5.353 . 0 0 "[ . 1 . 2 . 3]" 1 1165 1 109 LYS QB 1 110 ILE MD 4.000 . 7.500 3.437 3.178 4.094 . 0 0 "[ . 1 . 2 . 3]" 1 1166 1 110 ILE H 1 110 ILE MG 3.000 . 5.000 3.780 3.766 3.800 . 0 0 "[ . 1 . 2 . 3]" 1 1167 1 110 ILE H 1 110 ILE MD 4.000 . 6.500 3.229 3.035 3.704 . 0 0 "[ . 1 . 2 . 3]" 1 1168 1 110 ILE H 1 110 ILE HB 2.500 . 2.900 2.498 2.417 2.590 . 0 0 "[ . 1 . 2 . 3]" 1 1169 1 110 ILE HA 1 110 ILE MD 2.500 . 4.400 2.089 2.062 2.190 . 0 0 "[ . 1 . 2 . 3]" 1 1170 1 110 ILE HB 1 110 ILE MD 3.000 . 4.800 3.229 3.220 3.243 . 0 0 "[ . 1 . 2 . 3]" 1 1171 1 110 ILE HB 1 111 PHE H 4.000 . 5.000 2.541 2.395 2.643 . 0 0 "[ . 1 . 2 . 3]" 1 1172 1 110 ILE QG 1 111 PHE H 4.000 . 6.000 4.011 3.882 4.154 . 0 0 "[ . 1 . 2 . 3]" 1 1173 1 110 ILE MG 1 111 PHE H 4.000 . 6.500 3.366 3.200 3.515 . 0 0 "[ . 1 . 2 . 3]" 1 1174 1 110 ILE MD 1 113 LEU H 4.000 . 6.500 4.790 4.556 4.971 . 0 0 "[ . 1 . 2 . 3]" 1 1175 1 110 ILE MG 1 113 LEU H 4.000 . 6.500 4.680 4.331 4.805 . 0 0 "[ . 1 . 2 . 3]" 1 1176 1 110 ILE MD 1 114 MET H 4.000 . 6.500 4.665 4.161 5.031 . 0 0 "[ . 1 . 2 . 3]" 1 1177 1 110 ILE MG 1 114 MET H 4.000 . 6.500 3.635 3.270 3.891 . 0 0 "[ . 1 . 2 . 3]" 1 1178 1 110 ILE MD 1 113 LEU HG 4.000 . 6.500 4.912 3.544 5.451 . 0 0 "[ . 1 . 2 . 3]" 1 1179 1 110 ILE MD 1 113 LEU MD1 4.000 . 8.000 4.351 2.160 5.295 . 0 0 "[ . 1 . 2 . 3]" 1 1180 1 110 ILE MD 1 113 LEU MD2 3.000 . 6.300 3.208 2.666 4.298 . 0 0 "[ . 1 . 2 . 3]" 1 1181 1 110 ILE HA 1 113 LEU QD 3.000 . 5.700 3.277 2.178 3.941 . 0 0 "[ . 1 . 2 . 3]" 1 1182 1 110 ILE MG 1 114 MET QG 4.000 . 7.500 3.476 2.531 3.730 . 0 0 "[ . 1 . 2 . 3]" 1 1183 1 110 ILE MG 1 114 MET HB3 3.000 . 4.800 3.348 2.634 4.046 . 0 0 "[ . 1 . 2 . 3]" 1 1184 1 110 ILE MG 1 113 LEU HB3 3.000 . 4.800 3.673 3.137 3.955 . 0 0 "[ . 1 . 2 . 3]" 1 1185 1 110 ILE MG 1 114 MET ME 2.500 . 5.700 3.198 2.350 3.637 . 0 0 "[ . 1 . 2 . 3]" 1 1186 1 110 ILE MG 1 111 PHE HE1 4.000 . 6.500 4.364 4.032 5.166 . 0 0 "[ . 1 . 2 . 3]" 1 1187 1 110 ILE MG 1 111 PHE HD1 4.000 . 6.500 3.173 2.773 3.874 . 0 0 "[ . 1 . 2 . 3]" 1 1188 1 111 PHE H 1 111 PHE HB3 3.000 . 3.500 3.477 3.437 3.511 0.011 13 0 "[ . 1 . 2 . 3]" 1 1189 1 111 PHE H 1 111 PHE HB2 3.000 . 3.500 2.150 2.109 2.191 . 0 0 "[ . 1 . 2 . 3]" 1 1190 1 111 PHE H 1 111 PHE HD1 4.000 . 5.000 2.621 2.502 2.699 . 0 0 "[ . 1 . 2 . 3]" 1 1191 1 111 PHE H 1 111 PHE HE1 4.000 . 5.000 5.073 4.964 5.166 0.166 6 0 "[ . 1 . 2 . 3]" 1 1192 1 111 PHE HA 1 111 PHE HD2 4.000 . 5.000 4.020 3.761 4.183 . 0 0 "[ . 1 . 2 . 3]" 1 1193 1 111 PHE QB 1 112 ASN H 3.000 . 4.500 2.541 2.392 2.646 . 0 0 "[ . 1 . 2 . 3]" 1 1194 1 111 PHE H 1 112 ASN HB2 4.000 . 5.000 4.822 4.706 5.007 0.007 2 0 "[ . 1 . 2 . 3]" 1 1195 1 111 PHE HD1 1 112 ASN H 4.000 . 5.000 4.833 4.758 4.931 . 0 0 "[ . 1 . 2 . 3]" 1 1196 1 111 PHE QB 1 113 LEU H 4.000 . 6.000 4.622 4.492 4.729 . 0 0 "[ . 1 . 2 . 3]" 1 1197 1 111 PHE HD1 1 114 MET ME 4.000 . 6.500 4.192 3.144 5.039 . 0 0 "[ . 1 . 2 . 3]" 1 1198 1 111 PHE HA 1 114 MET ME 3.000 . 4.800 3.718 2.849 4.106 . 0 0 "[ . 1 . 2 . 3]" 1 1199 1 111 PHE QB 1 114 MET ME 4.000 . 7.500 5.235 4.448 5.614 . 0 0 "[ . 1 . 2 . 3]" 1 1200 1 112 ASN H 1 112 ASN HB3 4.000 . 5.000 3.601 3.584 3.617 . 0 0 "[ . 1 . 2 . 3]" 1 1201 1 112 ASN H 1 112 ASN HB2 2.500 . 2.900 2.410 2.364 2.471 . 0 0 "[ . 1 . 2 . 3]" 1 1202 1 112 ASN HB3 1 113 LEU H 4.000 . 5.000 3.553 3.453 3.614 . 0 0 "[ . 1 . 2 . 3]" 1 1203 1 112 ASN HB2 1 113 LEU H 3.000 . 3.500 2.626 2.431 2.702 . 0 0 "[ . 1 . 2 . 3]" 1 1204 1 112 ASN HA 1 115 GLU QG 4.000 . 6.000 4.274 3.778 4.813 . 0 0 "[ . 1 . 2 . 3]" 1 1205 1 112 ASN HB3 1 113 LEU HA 4.000 . 5.000 4.318 4.248 4.388 . 0 0 "[ . 1 . 2 . 3]" 1 1206 1 113 LEU HA 1 113 LEU QD 3.000 . 5.000 2.385 1.998 3.099 . 0 0 "[ . 1 . 2 . 3]" 1 1207 1 113 LEU H 1 113 LEU QD 3.000 . 5.200 3.692 3.093 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 1208 1 113 LEU H 1 113 LEU HB2 2.500 . 2.900 2.544 2.245 2.688 . 0 0 "[ . 1 . 2 . 3]" 1 1209 1 113 LEU HB3 1 114 MET H 2.500 . 2.900 2.268 2.089 2.898 . 0 0 "[ . 1 . 2 . 3]" 1 1210 1 113 LEU QD 1 117 ASP H 4.000 . 7.400 4.138 3.517 4.989 . 0 0 "[ . 1 . 2 . 3]" 1 1211 1 113 LEU QD 1 117 ASP QB 4.000 . 8.400 3.174 2.346 3.863 . 0 0 "[ . 1 . 2 . 3]" 1 1212 1 113 LEU HB3 1 114 MET HA 4.000 . 5.000 4.325 4.045 4.465 . 0 0 "[ . 1 . 2 . 3]" 1 1213 1 114 MET HB3 1 114 MET ME 4.000 . 6.500 2.991 2.538 3.730 . 0 0 "[ . 1 . 2 . 3]" 1 1214 1 114 MET HA 1 114 MET ME 4.000 . 6.500 4.585 4.211 5.229 . 0 0 "[ . 1 . 2 . 3]" 1 1215 1 114 MET H 1 114 MET HG3 3.000 . 4.500 3.540 2.188 3.900 . 0 0 "[ . 1 . 2 . 3]" 1 1216 1 114 MET H 1 114 MET HG2 3.000 . 4.500 2.273 1.946 2.819 . 0 0 "[ . 1 . 2 . 3]" 1 1217 1 114 MET H 1 114 MET HB3 2.500 . 2.900 2.521 2.366 2.905 0.005 19 0 "[ . 1 . 2 . 3]" 1 1218 1 114 MET HB2 1 115 GLU H 4.000 . 5.000 3.829 3.500 4.105 . 0 0 "[ . 1 . 2 . 3]" 1 1219 1 114 MET QG 1 115 GLU H 4.000 . 6.000 1.851 1.755 2.025 . 0 0 "[ . 1 . 2 . 3]" 1 1220 1 114 MET HB2 1 118 SER H 4.000 . 5.000 3.920 3.593 4.349 . 0 0 "[ . 1 . 2 . 3]" 1 1221 1 115 GLU H 1 115 GLU QB 3.000 . 4.100 2.296 2.248 2.386 . 0 0 "[ . 1 . 2 . 3]" 1 1222 1 115 GLU H 1 115 GLU QG 3.000 . 4.500 3.638 2.345 4.005 . 0 0 "[ . 1 . 2 . 3]" 1 1223 1 115 GLU QB 1 116 LYS H 2.500 . 3.900 2.535 2.193 2.656 . 0 0 "[ . 1 . 2 . 3]" 1 1224 1 116 LYS H 1 116 LYS QE 4.000 . 6.000 4.636 3.502 5.102 . 0 0 "[ . 1 . 2 . 3]" 1 1225 1 116 LYS H 1 116 LYS HB2 2.500 . 2.900 2.405 2.290 2.554 . 0 0 "[ . 1 . 2 . 3]" 1 1226 1 116 LYS H 1 116 LYS QG 3.000 . 4.500 2.397 2.115 3.559 . 0 0 "[ . 1 . 2 . 3]" 1 1227 1 116 LYS HB2 1 117 ASP H 3.000 . 4.000 2.941 2.675 3.425 . 0 0 "[ . 1 . 2 . 3]" 1 1228 1 116 LYS H 1 117 ASP QB 4.000 . 6.000 4.602 4.184 5.115 . 0 0 "[ . 1 . 2 . 3]" 1 1229 1 116 LYS QG 1 117 ASP H 4.000 . 6.000 4.244 4.058 4.871 . 0 0 "[ . 1 . 2 . 3]" 1 1230 1 117 ASP H 1 117 ASP QB 2.500 . 3.500 2.453 2.297 2.818 . 0 0 "[ . 1 . 2 . 3]" 1 1231 1 117 ASP QB 1 118 SER H 2.500 . 3.900 2.454 1.813 3.556 . 0 0 "[ . 1 . 2 . 3]" 1 1232 1 118 SER H 1 118 SER HB3 3.000 . 3.500 2.404 2.326 2.509 . 0 0 "[ . 1 . 2 . 3]" 1 1233 1 118 SER H 1 118 SER HB2 4.000 . 5.000 3.620 3.588 3.680 . 0 0 "[ . 1 . 2 . 3]" 1 1234 1 118 SER HB2 1 119 TYR H 4.000 . 5.000 3.760 3.406 3.888 . 0 0 "[ . 1 . 2 . 3]" 1 1235 1 118 SER HB2 1 122 PHE QE 4.000 . 5.000 4.452 2.338 5.170 0.170 10 0 "[ . 1 . 2 . 3]" 1 1236 1 119 TYR H 1 119 TYR QB 3.000 . 4.100 2.089 2.001 2.348 . 0 0 "[ . 1 . 2 . 3]" 1 1237 1 119 TYR H 1 119 TYR HD1 4.000 . 5.000 3.088 2.178 4.940 . 0 0 "[ . 1 . 2 . 3]" 1 1238 1 119 TYR HA 1 119 TYR HD1 4.000 . 5.000 2.429 2.311 2.728 . 0 0 "[ . 1 . 2 . 3]" 1 1239 1 119 TYR QB 1 120 ARG H 4.000 . 6.000 2.569 2.396 2.705 . 0 0 "[ . 1 . 2 . 3]" 1 1240 1 119 TYR H 1 120 ARG QG 4.000 . 6.000 4.550 4.166 4.858 . 0 0 "[ . 1 . 2 . 3]" 1 1241 1 119 TYR HD2 1 120 ARG H 4.000 . 5.000 5.096 4.871 5.431 0.431 28 0 "[ . 1 . 2 . 3]" 1 1242 1 119 TYR QE 1 123 LEU MD2 4.000 . 6.500 4.665 3.303 5.125 . 0 0 "[ . 1 . 2 . 3]" 1 1243 1 119 TYR QE 1 123 LEU MD1 4.000 . 6.500 4.584 3.363 5.030 . 0 0 "[ . 1 . 2 . 3]" 1 1244 1 119 TYR HA 1 122 PHE QD 4.000 . 5.000 3.954 2.292 4.411 . 0 0 "[ . 1 . 2 . 3]" 1 1245 1 120 ARG H 1 120 ARG QD 4.000 . 6.000 3.635 2.941 4.225 . 0 0 "[ . 1 . 2 . 3]" 1 1246 1 120 ARG H 1 120 ARG QG 3.000 . 4.500 2.104 1.871 2.289 . 0 0 "[ . 1 . 2 . 3]" 1 1247 1 120 ARG H 1 120 ARG HB2 3.000 . 3.500 2.511 2.421 2.642 . 0 0 "[ . 1 . 2 . 3]" 1 1248 1 120 ARG HB2 1 121 ARG H 3.000 . 3.500 2.575 2.370 2.710 . 0 0 "[ . 1 . 2 . 3]" 1 1249 1 120 ARG HB3 1 121 ARG H 4.000 . 5.000 3.624 3.482 3.754 . 0 0 "[ . 1 . 2 . 3]" 1 1250 1 120 ARG QD 1 123 LEU MD1 4.000 . 7.500 4.372 2.754 5.509 . 0 0 "[ . 1 . 2 . 3]" 1 1251 1 120 ARG QG 1 123 LEU MD1 4.000 . 7.500 4.175 3.499 5.096 . 0 0 "[ . 1 . 2 . 3]" 1 1252 1 120 ARG HA 1 124 LYS QD 4.000 . 6.000 4.921 4.044 5.459 . 0 0 "[ . 1 . 2 . 3]" 1 1253 1 121 ARG H 1 121 ARG HB2 3.000 . 3.500 2.397 2.269 2.502 . 0 0 "[ . 1 . 2 . 3]" 1 1254 1 121 ARG HB2 1 122 PHE H 3.000 . 3.500 2.707 2.610 3.018 . 0 0 "[ . 1 . 2 . 3]" 1 1255 1 121 ARG H 1 122 PHE QB 4.000 . 6.000 4.286 4.168 4.428 . 0 0 "[ . 1 . 2 . 3]" 1 1256 1 122 PHE H 1 122 PHE QB 3.000 . 4.100 2.111 2.073 2.244 . 0 0 "[ . 1 . 2 . 3]" 1 1257 1 122 PHE H 1 122 PHE QD 3.000 . 3.500 3.501 2.948 3.764 0.264 18 0 "[ . 1 . 2 . 3]" 1 1258 1 122 PHE HB3 1 123 LEU H 4.000 . 5.000 2.606 2.174 3.194 . 0 0 "[ . 1 . 2 . 3]" 1 1259 1 122 PHE HB2 1 123 LEU H 4.000 . 5.000 3.202 2.614 3.448 . 0 0 "[ . 1 . 2 . 3]" 1 1260 1 122 PHE QD 1 123 LEU H 4.000 . 5.000 4.285 3.735 4.580 . 0 0 "[ . 1 . 2 . 3]" 1 1261 1 122 PHE QB 1 124 LYS H 4.000 . 6.000 4.501 4.254 4.636 . 0 0 "[ . 1 . 2 . 3]" 1 1262 1 122 PHE QB 1 125 SER H 4.000 . 6.000 4.554 4.343 4.628 . 0 0 "[ . 1 . 2 . 3]" 1 1263 1 123 LEU QB 1 123 LEU MD2 3.000 . 5.800 2.221 2.191 2.249 . 0 0 "[ . 1 . 2 . 3]" 1 1264 1 123 LEU QB 1 123 LEU MD1 3.000 . 5.800 2.101 2.084 2.115 . 0 0 "[ . 1 . 2 . 3]" 1 1265 1 123 LEU HA 1 123 LEU MD2 3.000 . 4.800 2.143 2.105 2.180 . 0 0 "[ . 1 . 2 . 3]" 1 1266 1 123 LEU H 1 123 LEU MD1 4.000 . 6.500 3.474 3.392 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 1267 1 123 LEU H 1 123 LEU MD2 4.000 . 6.500 3.294 3.085 3.502 . 0 0 "[ . 1 . 2 . 3]" 1 1268 1 123 LEU H 1 123 LEU HG 3.000 . 3.500 2.070 1.932 2.230 . 0 0 "[ . 1 . 2 . 3]" 1 1269 1 123 LEU H 1 123 LEU HB2 3.000 . 3.500 2.528 2.433 2.600 . 0 0 "[ . 1 . 2 . 3]" 1 1270 1 123 LEU HB2 1 124 LYS H 4.000 . 5.000 2.684 2.568 3.032 . 0 0 "[ . 1 . 2 . 3]" 1 1271 1 123 LEU H 1 124 LYS QG 4.000 . 6.000 4.322 4.027 4.585 . 0 0 "[ . 1 . 2 . 3]" 1 1272 1 123 LEU MD2 1 124 LYS H 4.000 . 6.500 4.669 4.604 4.727 . 0 0 "[ . 1 . 2 . 3]" 1 1273 1 123 LEU MD1 1 124 LYS H 4.000 . 6.500 4.528 4.397 4.837 . 0 0 "[ . 1 . 2 . 3]" 1 1274 1 123 LEU MD2 1 128 TYR QE 4.000 . 6.500 2.680 2.483 3.200 . 0 0 "[ . 1 . 2 . 3]" 1 1275 1 123 LEU HA 1 128 TYR QD 4.000 . 5.000 2.895 2.543 3.375 . 0 0 "[ . 1 . 2 . 3]" 1 1276 1 123 LEU MD2 1 128 TYR QD 4.000 . 6.500 3.288 2.779 3.954 . 0 0 "[ . 1 . 2 . 3]" 1 1277 1 123 LEU HA 1 124 LYS QG 4.000 . 6.000 4.761 4.556 4.954 . 0 0 "[ . 1 . 2 . 3]" 1 1278 1 123 LEU HA 1 129 LEU QD 4.000 . 6.500 4.492 3.903 4.852 . 0 0 "[ . 1 . 2 . 3]" 1 1279 1 124 LYS H 1 124 LYS HB3 4.000 . 5.000 3.657 3.611 3.721 . 0 0 "[ . 1 . 2 . 3]" 1 1280 1 124 LYS H 1 124 LYS HB2 3.000 . 3.500 2.478 2.359 2.673 . 0 0 "[ . 1 . 2 . 3]" 1 1281 1 124 LYS HA 1 124 LYS QD 4.000 . 6.000 3.677 2.124 4.143 . 0 0 "[ . 1 . 2 . 3]" 1 1282 1 124 LYS HB3 1 125 SER H 4.000 . 5.000 4.309 4.093 4.454 . 0 0 "[ . 1 . 2 . 3]" 1 1283 1 124 LYS HB2 1 125 SER H 4.000 . 5.000 3.559 3.240 3.965 . 0 0 "[ . 1 . 2 . 3]" 1 1284 1 124 LYS QG 1 125 SER H 4.000 . 6.000 4.290 4.155 4.467 . 0 0 "[ . 1 . 2 . 3]" 1 1285 1 124 LYS HA 1 129 LEU QD 3.000 . 4.800 2.702 2.150 3.201 . 0 0 "[ . 1 . 2 . 3]" 1 1286 1 125 SER QB 1 127 PHE H 4.000 . 6.000 2.956 2.526 3.797 . 0 0 "[ . 1 . 2 . 3]" 1 1287 1 125 SER QB 1 126 ARG H 3.000 . 4.500 2.745 2.309 3.524 . 0 0 "[ . 1 . 2 . 3]" 1 1288 1 125 SER QB 1 126 ARG HA 4.000 . 6.000 4.711 4.391 5.111 . 0 0 "[ . 1 . 2 . 3]" 1 1289 1 125 SER H 1 129 LEU QD 4.000 . 6.500 4.064 3.709 4.437 . 0 0 "[ . 1 . 2 . 3]" 1 1290 1 126 ARG H 1 126 ARG HG3 4.000 . 6.000 3.201 2.050 4.486 . 0 0 "[ . 1 . 2 . 3]" 1 1291 1 126 ARG H 1 126 ARG HG2 4.000 . 6.000 3.126 1.841 4.659 . 0 0 "[ . 1 . 2 . 3]" 1 1292 1 126 ARG H 1 126 ARG QB 3.000 . 4.100 2.432 2.250 2.763 . 0 0 "[ . 1 . 2 . 3]" 1 1293 1 126 ARG QB 1 126 ARG QD 3.000 . 5.300 2.362 2.094 2.924 . 0 0 "[ . 1 . 2 . 3]" 1 1294 1 126 ARG QB 1 127 PHE H 4.000 . 6.000 2.726 2.447 3.573 . 0 0 "[ . 1 . 2 . 3]" 1 1295 1 126 ARG HG3 1 127 PHE H 4.000 . 6.000 4.320 2.134 5.105 . 0 0 "[ . 1 . 2 . 3]" 1 1296 1 126 ARG HG2 1 127 PHE H 4.000 . 6.000 4.196 1.991 5.123 . 0 0 "[ . 1 . 2 . 3]" 1 1297 1 126 ARG HA 1 129 LEU QD 3.000 . 4.800 2.590 2.319 3.064 . 0 0 "[ . 1 . 2 . 3]" 1 1298 1 126 ARG QB 1 129 LEU QD 4.000 . 7.500 4.191 3.645 4.621 . 0 0 "[ . 1 . 2 . 3]" 1 1299 1 126 ARG QD 1 129 LEU QD 4.000 . 7.500 4.414 2.478 5.378 . 0 0 "[ . 1 . 2 . 3]" 1 1300 1 127 PHE H 1 127 PHE QD 3.000 . 3.500 2.209 2.019 2.839 . 0 0 "[ . 1 . 2 . 3]" 1 1301 1 127 PHE HA 1 127 PHE QD 4.000 . 5.000 2.797 2.354 2.917 . 0 0 "[ . 1 . 2 . 3]" 1 1302 1 127 PHE HA 1 127 PHE QE 4.000 . 5.000 4.530 4.394 4.643 . 0 0 "[ . 1 . 2 . 3]" 1 1303 1 127 PHE H 1 127 PHE HB2 3.000 . 3.500 2.488 2.354 2.594 . 0 0 "[ . 1 . 2 . 3]" 1 1304 1 127 PHE H 1 127 PHE HB3 4.000 . 5.000 3.620 3.590 3.639 . 0 0 "[ . 1 . 2 . 3]" 1 1305 1 127 PHE HB3 1 128 TYR H 4.000 . 5.000 3.396 3.096 3.636 . 0 0 "[ . 1 . 2 . 3]" 1 1306 1 127 PHE HB2 1 128 TYR H 4.000 . 5.000 2.393 2.232 2.534 . 0 0 "[ . 1 . 2 . 3]" 1 1307 1 128 TYR H 1 128 TYR HB3 3.000 . 3.500 2.601 2.515 2.703 . 0 0 "[ . 1 . 2 . 3]" 1 1308 1 128 TYR H 1 128 TYR HB2 3.000 . 3.500 2.488 2.400 2.562 . 0 0 "[ . 1 . 2 . 3]" 1 1309 1 128 TYR H 1 128 TYR QD 4.000 . 5.000 4.189 4.153 4.219 . 0 0 "[ . 1 . 2 . 3]" 1 1310 1 128 TYR HA 1 128 TYR QD 4.000 . 5.000 2.817 2.547 2.910 . 0 0 "[ . 1 . 2 . 3]" 1 1311 1 128 TYR HB3 1 130 ASP H 5.000 3.000 6.000 5.021 4.841 5.239 . 0 0 "[ . 1 . 2 . 3]" 1 1312 1 128 TYR HB3 1 129 LEU H 4.000 . 5.000 2.394 2.303 2.563 . 0 0 "[ . 1 . 2 . 3]" 1 1313 1 128 TYR QD 1 129 LEU H 4.000 . 5.000 3.293 3.061 3.726 . 0 0 "[ . 1 . 2 . 3]" 1 1314 1 128 TYR QD 1 129 LEU QD 3.000 . 4.800 2.694 2.373 3.225 . 0 0 "[ . 1 . 2 . 3]" 1 1315 1 128 TYR QE 1 129 LEU QD 4.000 . 6.500 3.747 3.318 4.503 . 0 0 "[ . 1 . 2 . 3]" 1 1316 1 128 TYR QE 1 132 THR MG 4.000 . 6.500 2.702 2.411 2.930 . 0 0 "[ . 1 . 2 . 3]" 1 1317 1 128 TYR QD 1 129 LEU HG 4.000 . 5.000 3.174 2.655 3.651 . 0 0 "[ . 1 . 2 . 3]" 1 1318 1 128 TYR QD 1 132 THR MG 4.000 . 6.500 3.013 2.585 3.661 . 0 0 "[ . 1 . 2 . 3]" 1 1319 1 128 TYR HA 1 131 LEU HB2 4.000 . 5.000 2.670 2.389 2.930 . 0 0 "[ . 1 . 2 . 3]" 1 1320 1 128 TYR HA 1 131 LEU MD1 4.000 . 6.500 2.957 2.383 3.613 . 0 0 "[ . 1 . 2 . 3]" 1 1321 1 129 LEU H 1 129 LEU HB2 3.000 . 3.500 2.456 2.397 2.555 . 0 0 "[ . 1 . 2 . 3]" 1 1322 1 129 LEU H 1 129 LEU QD 4.000 . 6.500 3.080 2.969 3.136 . 0 0 "[ . 1 . 2 . 3]" 1 1323 1 129 LEU H 1 129 LEU HG 3.000 . 3.300 2.196 1.995 2.301 . 0 0 "[ . 1 . 2 . 3]" 1 1324 1 129 LEU HA 1 129 LEU QD 2.500 . 4.200 2.158 2.106 2.273 . 0 0 "[ . 1 . 2 . 3]" 1 1325 1 129 LEU HB3 1 130 ASP H 4.000 . 5.000 3.459 3.336 3.598 . 0 0 "[ . 1 . 2 . 3]" 1 1326 1 129 LEU HB2 1 130 ASP H 4.000 . 5.000 2.481 2.301 2.664 . 0 0 "[ . 1 . 2 . 3]" 1 1327 1 129 LEU QD 1 130 ASP H 4.000 . 6.500 4.010 3.849 4.125 . 0 0 "[ . 1 . 2 . 3]" 1 1328 1 129 LEU HG 1 130 ASP H 4.000 . 5.000 4.332 4.135 4.448 . 0 0 "[ . 1 . 2 . 3]" 1 1329 1 129 LEU HA 1 132 THR MG 4.000 . 6.500 4.189 3.630 4.935 . 0 0 "[ . 1 . 2 . 3]" 1 1330 1 129 LEU QD 1 132 THR H 4.000 . 6.500 4.782 4.586 5.093 . 0 0 "[ . 1 . 2 . 3]" 1 1331 1 130 ASP H 1 130 ASP HB2 2.500 . 2.900 2.428 2.363 2.465 . 0 0 "[ . 1 . 2 . 3]" 1 1332 1 130 ASP HB2 1 131 LEU H 4.000 . 5.000 2.519 2.367 2.655 . 0 0 "[ . 1 . 2 . 3]" 1 1333 1 130 ASP HB2 1 132 THR H 4.000 . 5.000 4.821 4.666 4.995 . 0 0 "[ . 1 . 2 . 3]" 1 1334 1 131 LEU HA 1 131 LEU MD2 2.500 . 4.200 2.166 2.097 2.253 . 0 0 "[ . 1 . 2 . 3]" 1 1335 1 131 LEU H 1 131 LEU HB2 2.500 . 2.900 2.451 2.379 2.514 . 0 0 "[ . 1 . 2 . 3]" 1 1336 1 131 LEU H 1 131 LEU HG 3.000 . 3.500 2.261 2.105 2.431 . 0 0 "[ . 1 . 2 . 3]" 1 1337 1 131 LEU H 1 131 LEU MD1 4.000 . 6.500 3.475 3.301 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 1338 1 131 LEU H 1 131 LEU MD2 4.000 . 6.500 3.518 3.325 3.776 . 0 0 "[ . 1 . 2 . 3]" 1 1339 1 131 LEU HB3 1 131 LEU MD2 3.000 . 4.800 2.247 2.203 2.287 . 0 0 "[ . 1 . 2 . 3]" 1 1340 1 131 LEU HB2 1 131 LEU MD2 3.000 . 4.800 3.209 3.187 3.221 . 0 0 "[ . 1 . 2 . 3]" 1 1341 1 131 LEU HB2 1 131 LEU MD1 3.000 . 4.800 2.306 2.219 2.370 . 0 0 "[ . 1 . 2 . 3]" 1 1342 1 131 LEU HA 1 131 LEU HG 4.000 . 5.000 2.916 2.734 3.051 . 0 0 "[ . 1 . 2 . 3]" 1 1343 1 131 LEU HB3 1 132 THR H 4.000 . 5.000 3.692 3.556 3.915 . 0 0 "[ . 1 . 2 . 3]" 1 1344 1 131 LEU HB2 1 132 THR H 4.000 . 5.000 2.675 2.517 2.961 . 0 0 "[ . 1 . 2 . 3]" 1 1345 1 131 LEU MD2 1 132 THR H 4.000 . 6.500 4.704 4.606 4.819 . 0 0 "[ . 1 . 2 . 3]" 1 1346 1 131 LEU H 1 132 THR MG 4.000 . 6.500 4.184 3.982 4.730 . 0 0 "[ . 1 . 2 . 3]" 1 1347 1 131 LEU HB3 1 132 THR MG 4.000 . 6.500 3.255 3.020 3.595 . 0 0 "[ . 1 . 2 . 3]" 1 1348 1 132 THR HA 1 132 THR MG 3.000 . 4.400 2.459 2.217 2.576 . 0 0 "[ . 1 . 2 . 3]" 1 1349 1 132 THR H 1 132 THR MG 2.500 . 4.400 2.539 2.363 2.900 . 0 0 "[ . 1 . 2 . 3]" 1 1350 1 132 THR H 1 132 THR HB 4.000 . 5.000 3.740 3.638 3.830 . 0 0 "[ . 1 . 2 . 3]" 1 1351 1 132 THR HB 1 133 ASN H 4.000 . 5.000 4.266 3.970 4.457 . 0 0 "[ . 1 . 2 . 3]" 1 1352 1 132 THR MG 1 133 ASN H 4.000 . 6.500 4.361 4.233 4.428 . 0 0 "[ . 1 . 2 . 3]" 1 1353 1 133 ASN H 1 133 ASN HB3 4.000 . 5.000 3.595 3.520 3.663 . 0 0 "[ . 1 . 2 . 3]" 1 1354 1 133 ASN H 1 133 ASN HB2 2.500 . 2.900 2.394 2.192 2.779 . 0 0 "[ . 1 . 2 . 3]" 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 455 _Distance_constraint_stats_list.Viol_count 505 _Distance_constraint_stats_list.Viol_total 861.434 _Distance_constraint_stats_list.Viol_max 0.347 _Distance_constraint_stats_list.Viol_rms 0.0137 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0021 _Distance_constraint_stats_list.Viol_average_violations_only 0.0569 _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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 6 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 7 GLN 0.290 0.049 22 0 "[ . 1 . 2 . 3]" 1 8 GLU 1.704 0.082 20 0 "[ . 1 . 2 . 3]" 1 9 GLU 1.833 0.082 20 0 "[ . 1 . 2 . 3]" 1 10 VAL 0.114 0.049 22 0 "[ . 1 . 2 . 3]" 1 11 LYS 2.478 0.157 28 0 "[ . 1 . 2 . 3]" 1 12 LYS 1.007 0.058 1 0 "[ . 1 . 2 . 3]" 1 13 TRP 0.279 0.079 7 0 "[ . 1 . 2 . 3]" 1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 15 GLU 1.498 0.157 28 0 "[ . 1 . 2 . 3]" 1 16 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 18 GLU 1.908 0.085 21 0 "[ . 1 . 2 . 3]" 1 19 ASN 1.908 0.085 21 0 "[ . 1 . 2 . 3]" 1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 21 ILE 0.237 0.047 8 0 "[ . 1 . 2 . 3]" 1 22 ASN 0.237 0.047 8 0 "[ . 1 . 2 . 3]" 1 23 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 28 ALA 1.851 0.079 17 0 "[ . 1 . 2 . 3]" 1 29 ALA 1.851 0.079 17 0 "[ . 1 . 2 . 3]" 1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 32 ALA 0.151 0.090 28 0 "[ . 1 . 2 . 3]" 1 33 PHE 1.841 0.090 12 0 "[ . 1 . 2 . 3]" 1 34 LEU 1.841 0.090 12 0 "[ . 1 . 2 . 3]" 1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 36 SER 0.793 0.090 28 0 "[ . 1 . 2 . 3]" 1 37 GLU 0.642 0.055 28 0 "[ . 1 . 2 . 3]" 1 38 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 39 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 46 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 48 SER 0.036 0.036 29 0 "[ . 1 . 2 . 3]" 1 49 CYS 1.580 0.096 10 0 "[ . 1 . 2 . 3]" 1 50 GLU 1.580 0.096 10 0 "[ . 1 . 2 . 3]" 1 51 GLU 0.036 0.036 29 0 "[ . 1 . 2 . 3]" 1 52 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 54 LYS 0.612 0.066 20 0 "[ . 1 . 2 . 3]" 1 55 ILE 0.612 0.066 20 0 "[ . 1 . 2 . 3]" 1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 57 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 58 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 59 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 62 SER 0.189 0.120 24 0 "[ . 1 . 2 . 3]" 1 63 PRO 0.205 0.122 5 0 "[ . 1 . 2 . 3]" 1 64 LYS 0.189 0.120 24 0 "[ . 1 . 2 . 3]" 1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 67 LYS 0.205 0.122 5 0 "[ . 1 . 2 . 3]" 1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 72 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 73 ILE 0.501 0.079 6 0 "[ . 1 . 2 . 3]" 1 74 SER 0.501 0.079 6 0 "[ . 1 . 2 . 3]" 1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 78 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 79 LYS 0.631 0.124 26 0 "[ . 1 . 2 . 3]" 1 80 GLU 0.631 0.124 26 0 "[ . 1 . 2 . 3]" 1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 85 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 86 CYS 1.614 0.084 7 0 "[ . 1 . 2 . 3]" 1 87 THR 1.614 0.084 7 0 "[ . 1 . 2 . 3]" 1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 89 GLU 1.244 0.058 6 0 "[ . 1 . 2 . 3]" 1 90 GLU 1.244 0.058 6 0 "[ . 1 . 2 . 3]" 1 91 THR 0.191 0.079 25 0 "[ . 1 . 2 . 3]" 1 92 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 93 ARG 0.968 0.045 4 0 "[ . 1 . 2 . 3]" 1 94 ASN 1.286 0.054 18 0 "[ . 1 . 2 . 3]" 1 95 MET 0.510 0.079 25 0 "[ . 1 . 2 . 3]" 1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 98 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 99 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 101 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 102 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 108 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 110 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 111 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 112 ASN 0.214 0.068 2 0 "[ . 1 . 2 . 3]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 114 MET 0.214 0.068 2 0 "[ . 1 . 2 . 3]" 1 115 GLU 0.179 0.124 15 0 "[ . 1 . 2 . 3]" 1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 117 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 118 SER 0.179 0.124 15 0 "[ . 1 . 2 . 3]" 1 119 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 120 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 121 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 124 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 125 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 127 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 128 TYR 1.996 0.078 29 0 "[ . 1 . 2 . 3]" 1 129 LEU 1.996 0.078 29 0 "[ . 1 . 2 . 3]" 1 130 ASP 2.494 0.250 19 0 "[ . 1 . 2 . 3]" 1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 132 THR 4.511 0.347 26 0 "[ . 1 . 2 . 3]" 1 133 ASN 7.004 0.347 26 0 "[ . 1 . 2 . 3]" 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 6 SER H 1 7 GLN H 4.000 . 5.000 4.655 4.616 4.681 . 0 0 "[ . 1 . 2 . 3]" 2 2 1 7 GLN H 1 8 GLU H 3.000 . 3.500 2.555 2.485 2.721 . 0 0 "[ . 1 . 2 . 3]" 2 3 1 8 GLU H 1 9 GLU H 3.000 . 3.500 2.671 2.551 2.836 . 0 0 "[ . 1 . 2 . 3]" 2 4 1 9 GLU H 1 10 VAL H 3.000 . 3.500 2.736 2.665 2.809 . 0 0 "[ . 1 . 2 . 3]" 2 5 1 10 VAL H 1 11 LYS H 3.000 . 3.500 2.724 2.645 2.846 . 0 0 "[ . 1 . 2 . 3]" 2 6 1 11 LYS H 1 12 LYS H 2.500 . 2.900 2.682 2.610 2.729 . 0 0 "[ . 1 . 2 . 3]" 2 7 1 12 LYS H 1 13 TRP H 2.500 . 2.900 2.621 2.542 2.676 . 0 0 "[ . 1 . 2 . 3]" 2 8 1 13 TRP H 1 14 ALA H 2.500 . 2.900 2.670 2.600 2.774 . 0 0 "[ . 1 . 2 . 3]" 2 9 1 14 ALA H 1 15 GLU H 2.500 . 2.900 2.447 2.290 2.602 . 0 0 "[ . 1 . 2 . 3]" 2 10 1 15 GLU H 1 16 SER H 2.500 . 2.900 2.372 2.296 2.465 . 0 0 "[ . 1 . 2 . 3]" 2 11 1 16 SER H 1 17 LEU H 4.000 . 5.000 4.275 4.220 4.356 . 0 0 "[ . 1 . 2 . 3]" 2 12 1 17 LEU H 1 18 GLU H 3.000 . 3.500 2.745 2.688 2.811 . 0 0 "[ . 1 . 2 . 3]" 2 13 1 18 GLU H 1 19 ASN H 3.000 . 3.500 2.865 2.761 3.006 . 0 0 "[ . 1 . 2 . 3]" 2 14 1 19 ASN H 1 20 LEU H 3.000 . 3.500 2.775 2.702 2.840 . 0 0 "[ . 1 . 2 . 3]" 2 15 1 20 LEU H 1 21 ILE H 3.000 . 3.500 2.770 2.650 2.879 . 0 0 "[ . 1 . 2 . 3]" 2 16 1 21 ILE H 1 22 ASN H 3.000 . 3.500 2.517 2.353 2.604 . 0 0 "[ . 1 . 2 . 3]" 2 17 1 22 ASN H 1 23 HIS H 2.500 . 2.900 2.477 2.391 2.606 . 0 0 "[ . 1 . 2 . 3]" 2 18 1 23 HIS H 1 24 GLU H 4.000 . 5.000 4.572 4.504 4.611 . 0 0 "[ . 1 . 2 . 3]" 2 19 1 24 GLU H 1 25 CYS H 3.000 . 3.500 2.779 2.717 2.897 . 0 0 "[ . 1 . 2 . 3]" 2 20 1 25 CYS H 1 26 GLY H 3.000 . 3.500 2.354 2.318 2.416 . 0 0 "[ . 1 . 2 . 3]" 2 21 1 26 GLY H 1 27 LEU H 3.000 . 3.500 2.665 2.548 2.762 . 0 0 "[ . 1 . 2 . 3]" 2 22 1 27 LEU H 1 28 ALA H 3.000 . 3.500 2.752 2.660 2.820 . 0 0 "[ . 1 . 2 . 3]" 2 23 1 28 ALA H 1 29 ALA H 3.000 . 3.500 2.766 2.663 2.874 . 0 0 "[ . 1 . 2 . 3]" 2 24 1 29 ALA H 1 30 PHE H 3.000 . 3.500 2.607 2.535 2.664 . 0 0 "[ . 1 . 2 . 3]" 2 25 1 30 PHE H 1 31 LYS H 3.000 . 3.500 2.790 2.626 2.912 . 0 0 "[ . 1 . 2 . 3]" 2 26 1 31 LYS H 1 32 ALA H 3.000 . 3.500 2.732 2.655 2.810 . 0 0 "[ . 1 . 2 . 3]" 2 27 1 33 PHE H 1 34 LEU H 3.000 . 3.500 2.752 2.673 2.890 . 0 0 "[ . 1 . 2 . 3]" 2 28 1 35 LYS H 1 36 SER H 3.000 . 3.500 2.692 2.632 2.755 . 0 0 "[ . 1 . 2 . 3]" 2 29 1 36 SER H 1 37 GLU H 3.000 . 3.500 2.621 2.508 2.722 . 0 0 "[ . 1 . 2 . 3]" 2 30 1 37 GLU H 1 38 TYR H 3.000 . 3.500 2.317 2.208 2.405 . 0 0 "[ . 1 . 2 . 3]" 2 31 1 38 TYR H 1 39 SER H 3.000 . 3.500 2.746 2.667 2.823 . 0 0 "[ . 1 . 2 . 3]" 2 32 1 39 SER H 1 40 GLU H 3.000 . 3.500 2.705 2.474 2.998 . 0 0 "[ . 1 . 2 . 3]" 2 33 1 40 GLU H 1 41 GLU H 3.000 . 3.500 2.619 2.556 2.704 . 0 0 "[ . 1 . 2 . 3]" 2 34 1 41 GLU H 1 42 ASN H 3.000 . 3.500 2.603 2.541 2.663 . 0 0 "[ . 1 . 2 . 3]" 2 35 1 42 ASN H 1 43 ILE H 3.000 . 3.500 2.871 2.814 2.925 . 0 0 "[ . 1 . 2 . 3]" 2 36 1 43 ILE H 1 44 ASP H 3.000 . 3.500 2.625 2.582 2.676 . 0 0 "[ . 1 . 2 . 3]" 2 37 1 45 PHE H 1 46 TRP H 3.000 . 3.500 2.601 2.554 2.714 . 0 0 "[ . 1 . 2 . 3]" 2 38 1 46 TRP H 1 47 ILE H 4.000 . 5.000 2.748 2.703 2.791 . 0 0 "[ . 1 . 2 . 3]" 2 39 1 47 ILE H 1 48 SER H 3.000 . 3.500 2.705 2.581 2.786 . 0 0 "[ . 1 . 2 . 3]" 2 40 1 48 SER H 1 49 CYS H 3.000 . 3.500 2.582 2.510 2.694 . 0 0 "[ . 1 . 2 . 3]" 2 41 1 49 CYS H 1 50 GLU H 3.000 . 3.500 2.638 2.513 2.738 . 0 0 "[ . 1 . 2 . 3]" 2 42 1 50 GLU H 1 51 GLU H 2.500 . 2.900 2.762 2.665 2.880 . 0 0 "[ . 1 . 2 . 3]" 2 43 1 51 GLU H 1 52 TYR H 3.000 . 3.500 2.616 2.552 2.671 . 0 0 "[ . 1 . 2 . 3]" 2 44 1 52 TYR H 1 53 LYS H 3.000 . 3.500 2.675 2.579 2.745 . 0 0 "[ . 1 . 2 . 3]" 2 45 1 53 LYS H 1 54 LYS H 2.500 . 2.900 2.613 2.533 2.769 . 0 0 "[ . 1 . 2 . 3]" 2 46 1 54 LYS H 1 55 ILE H 2.500 . 2.900 2.345 2.203 2.586 . 0 0 "[ . 1 . 2 . 3]" 2 47 1 56 LYS H 1 57 SER H 2.500 . 2.900 2.322 2.260 2.487 . 0 0 "[ . 1 . 2 . 3]" 2 48 1 59 SER H 1 60 LYS H 4.000 . 5.000 2.351 2.272 2.406 . 0 0 "[ . 1 . 2 . 3]" 2 49 1 60 LYS H 1 61 LEU H 2.500 . 2.900 2.292 2.211 2.360 . 0 0 "[ . 1 . 2 . 3]" 2 50 1 61 LEU H 1 62 SER H 3.000 . 3.500 2.699 2.628 2.762 . 0 0 "[ . 1 . 2 . 3]" 2 51 1 64 LYS H 1 65 ALA H 2.500 . 2.900 2.600 2.569 2.632 . 0 0 "[ . 1 . 2 . 3]" 2 52 1 65 ALA H 1 66 LYS H 3.000 . 3.500 2.797 2.713 2.908 . 0 0 "[ . 1 . 2 . 3]" 2 53 1 66 LYS H 1 67 LYS H 2.500 . 2.900 2.738 2.676 2.806 . 0 0 "[ . 1 . 2 . 3]" 2 54 1 67 LYS H 1 68 ILE H 3.000 . 3.500 2.744 2.658 2.804 . 0 0 "[ . 1 . 2 . 3]" 2 55 1 68 ILE H 1 69 TYR H 3.000 . 3.500 2.669 2.579 2.776 . 0 0 "[ . 1 . 2 . 3]" 2 56 1 69 TYR H 1 70 ASN H 3.000 . 3.500 2.778 2.715 2.828 . 0 0 "[ . 1 . 2 . 3]" 2 57 1 70 ASN H 1 71 GLU H 3.000 . 3.500 2.698 2.617 2.768 . 0 0 "[ . 1 . 2 . 3]" 2 58 1 71 GLU H 1 72 PHE H 3.000 . 3.500 2.758 2.551 2.941 . 0 0 "[ . 1 . 2 . 3]" 2 59 1 72 PHE H 1 73 ILE H 3.000 . 3.500 2.506 1.991 2.702 . 0 0 "[ . 1 . 2 . 3]" 2 60 1 73 ILE H 1 74 SER H 2.500 . 2.900 2.384 2.214 2.487 . 0 0 "[ . 1 . 2 . 3]" 2 61 1 74 SER H 1 75 VAL H 4.000 . 5.000 4.617 4.559 4.654 . 0 0 "[ . 1 . 2 . 3]" 2 62 1 76 GLN H 1 77 ALA H 2.500 . 2.900 2.280 2.204 2.330 . 0 0 "[ . 1 . 2 . 3]" 2 63 1 77 ALA H 1 78 THR H 4.000 . 5.000 4.654 4.611 4.683 . 0 0 "[ . 1 . 2 . 3]" 2 64 1 79 LYS H 1 80 GLU H 3.000 . 3.500 3.440 3.197 3.624 0.124 26 0 "[ . 1 . 2 . 3]" 2 65 1 80 GLU H 1 81 VAL H 4.000 . 5.000 4.653 4.629 4.679 . 0 0 "[ . 1 . 2 . 3]" 2 66 1 82 ASN H 1 83 LEU H 4.000 . 5.000 4.341 4.238 4.438 . 0 0 "[ . 1 . 2 . 3]" 2 67 1 83 LEU H 1 84 ASP H 4.000 . 5.000 4.425 4.403 4.436 . 0 0 "[ . 1 . 2 . 3]" 2 68 1 84 ASP H 1 85 SER H 4.000 . 5.000 4.659 4.623 4.675 . 0 0 "[ . 1 . 2 . 3]" 2 69 1 85 SER H 1 86 CYS H 4.000 . 5.000 2.583 2.527 2.702 . 0 0 "[ . 1 . 2 . 3]" 2 70 1 87 THR H 1 88 ARG H 2.500 . 2.900 2.782 2.659 2.876 . 0 0 "[ . 1 . 2 . 3]" 2 71 1 90 GLU H 1 91 THR H 3.000 . 3.500 2.754 2.686 2.837 . 0 0 "[ . 1 . 2 . 3]" 2 72 1 91 THR H 1 92 SER H 3.000 . 3.500 2.677 2.612 2.768 . 0 0 "[ . 1 . 2 . 3]" 2 73 1 92 SER H 1 93 ARG H 3.000 . 3.500 2.722 2.635 2.842 . 0 0 "[ . 1 . 2 . 3]" 2 74 1 93 ARG H 1 94 ASN H 2.500 . 2.900 2.596 2.537 2.663 . 0 0 "[ . 1 . 2 . 3]" 2 75 1 94 ASN H 1 95 MET H 2.500 . 2.900 2.652 2.534 2.717 . 0 0 "[ . 1 . 2 . 3]" 2 76 1 95 MET H 1 96 LEU H 2.500 . 2.900 2.685 2.618 2.733 . 0 0 "[ . 1 . 2 . 3]" 2 77 1 100 ILE H 1 101 THR H 4.000 . 5.000 2.522 2.477 2.573 . 0 0 "[ . 1 . 2 . 3]" 2 78 1 101 THR H 1 102 CYS H 2.500 . 2.900 2.460 2.359 2.548 . 0 0 "[ . 1 . 2 . 3]" 2 79 1 102 CYS H 1 103 PHE H 4.000 . 5.000 2.945 2.780 3.061 . 0 0 "[ . 1 . 2 . 3]" 2 80 1 103 PHE H 1 104 ASP H 2.500 . 2.900 2.430 2.305 2.513 . 0 0 "[ . 1 . 2 . 3]" 2 81 1 104 ASP H 1 105 GLU H 3.000 . 3.500 2.675 2.574 2.746 . 0 0 "[ . 1 . 2 . 3]" 2 82 1 106 ALA H 1 107 GLN H 3.000 . 3.500 2.680 2.562 2.797 . 0 0 "[ . 1 . 2 . 3]" 2 83 1 107 GLN H 1 108 LYS H 3.000 . 3.500 2.697 2.643 2.757 . 0 0 "[ . 1 . 2 . 3]" 2 84 1 109 LYS H 1 110 ILE H 3.000 . 3.500 2.641 2.567 2.696 . 0 0 "[ . 1 . 2 . 3]" 2 85 1 110 ILE H 1 111 PHE H 3.000 . 3.500 2.654 2.555 2.772 . 0 0 "[ . 1 . 2 . 3]" 2 86 1 111 PHE H 1 112 ASN H 3.000 . 3.500 2.780 2.681 2.977 . 0 0 "[ . 1 . 2 . 3]" 2 87 1 112 ASN H 1 113 LEU H 3.000 . 3.500 2.715 2.630 2.803 . 0 0 "[ . 1 . 2 . 3]" 2 88 1 113 LEU H 1 114 MET H 3.000 . 3.500 2.915 2.836 3.067 . 0 0 "[ . 1 . 2 . 3]" 2 89 1 114 MET H 1 115 GLU H 2.500 . 2.900 2.681 2.622 2.781 . 0 0 "[ . 1 . 2 . 3]" 2 90 1 115 GLU H 1 116 LYS H 3.000 . 3.500 2.767 2.654 3.001 . 0 0 "[ . 1 . 2 . 3]" 2 91 1 117 ASP H 1 118 SER H 3.000 . 3.500 2.447 2.198 3.000 . 0 0 "[ . 1 . 2 . 3]" 2 92 1 118 SER H 1 119 TYR H 3.000 . 3.500 2.810 2.587 2.964 . 0 0 "[ . 1 . 2 . 3]" 2 93 1 119 TYR H 1 120 ARG H 3.000 . 3.500 2.942 2.784 3.095 . 0 0 "[ . 1 . 2 . 3]" 2 94 1 120 ARG H 1 121 ARG H 3.000 . 3.500 2.689 2.626 2.831 . 0 0 "[ . 1 . 2 . 3]" 2 95 1 121 ARG H 1 122 PHE H 3.000 . 3.500 2.572 2.515 2.640 . 0 0 "[ . 1 . 2 . 3]" 2 96 1 122 PHE H 1 123 LEU H 3.000 . 3.500 2.838 2.735 2.992 . 0 0 "[ . 1 . 2 . 3]" 2 97 1 123 LEU H 1 124 LYS H 3.000 . 3.500 2.673 2.621 2.744 . 0 0 "[ . 1 . 2 . 3]" 2 98 1 124 LYS H 1 125 SER H 2.500 . 2.900 2.453 2.195 2.571 . 0 0 "[ . 1 . 2 . 3]" 2 99 1 126 ARG H 1 127 PHE H 4.000 . 5.000 2.672 2.533 2.781 . 0 0 "[ . 1 . 2 . 3]" 2 100 1 127 PHE H 1 128 TYR H 3.000 . 3.500 2.827 2.615 3.037 . 0 0 "[ . 1 . 2 . 3]" 2 101 1 128 TYR H 1 129 LEU H 3.000 . 3.500 2.770 2.611 2.860 . 0 0 "[ . 1 . 2 . 3]" 2 102 1 129 LEU H 1 130 ASP H 3.000 . 3.500 2.810 2.729 2.921 . 0 0 "[ . 1 . 2 . 3]" 2 103 1 130 ASP H 1 131 LEU H 3.000 . 3.500 2.738 2.665 2.835 . 0 0 "[ . 1 . 2 . 3]" 2 104 1 131 LEU H 1 132 THR H 2.500 . 2.900 2.525 2.440 2.661 . 0 0 "[ . 1 . 2 . 3]" 2 105 1 132 THR H 1 133 ASN H 3.000 . 3.500 3.647 3.414 3.847 0.347 26 0 "[ . 1 . 2 . 3]" 2 106 1 8 GLU H 1 10 VAL H 4.000 . 5.000 4.384 4.227 4.603 . 0 0 "[ . 1 . 2 . 3]" 2 107 1 10 VAL H 1 12 LYS H 4.000 . 5.000 4.191 4.035 4.469 . 0 0 "[ . 1 . 2 . 3]" 2 108 1 14 ALA H 1 16 SER H 4.000 . 5.000 4.333 4.101 4.530 . 0 0 "[ . 1 . 2 . 3]" 2 109 1 17 LEU H 1 19 ASN H 4.000 . 5.000 4.369 4.259 4.619 . 0 0 "[ . 1 . 2 . 3]" 2 110 1 19 ASN H 1 21 ILE H 4.000 . 5.000 4.287 4.065 4.458 . 0 0 "[ . 1 . 2 . 3]" 2 111 1 25 CYS H 1 27 LEU H 4.000 . 5.000 4.070 3.890 4.245 . 0 0 "[ . 1 . 2 . 3]" 2 112 1 28 ALA H 1 30 PHE H 4.000 . 5.000 4.074 3.958 4.171 . 0 0 "[ . 1 . 2 . 3]" 2 113 1 30 PHE H 1 32 ALA H 4.000 . 5.000 4.157 3.979 4.356 . 0 0 "[ . 1 . 2 . 3]" 2 114 1 31 LYS H 1 33 PHE H 4.000 . 5.000 4.127 3.924 4.576 . 0 0 "[ . 1 . 2 . 3]" 2 115 1 34 LEU H 1 36 SER H 4.000 . 5.000 4.125 4.027 4.293 . 0 0 "[ . 1 . 2 . 3]" 2 116 1 36 SER H 1 38 TYR H 4.000 . 5.000 3.776 3.612 4.022 . 0 0 "[ . 1 . 2 . 3]" 2 117 1 37 GLU H 1 39 SER H 4.000 . 5.000 3.479 3.283 3.710 . 0 0 "[ . 1 . 2 . 3]" 2 118 1 38 TYR H 1 40 GLU H 4.000 . 5.000 4.573 4.189 4.927 . 0 0 "[ . 1 . 2 . 3]" 2 119 1 42 ASN H 1 44 ASP H 4.000 . 5.000 4.206 4.120 4.321 . 0 0 "[ . 1 . 2 . 3]" 2 120 1 48 SER H 1 50 GLU H 4.000 . 5.000 4.045 3.826 4.213 . 0 0 "[ . 1 . 2 . 3]" 2 121 1 49 CYS H 1 51 GLU H 4.000 . 5.000 4.288 4.159 4.426 . 0 0 "[ . 1 . 2 . 3]" 2 122 1 50 GLU H 1 52 TYR H 4.000 . 5.000 3.995 3.867 4.094 . 0 0 "[ . 1 . 2 . 3]" 2 123 1 51 GLU H 1 53 LYS H 4.000 . 5.000 4.093 3.985 4.205 . 0 0 "[ . 1 . 2 . 3]" 2 124 1 62 SER H 1 64 LYS H 4.000 . 5.000 4.882 4.700 5.120 0.120 24 0 "[ . 1 . 2 . 3]" 2 125 1 64 LYS H 1 66 LYS H 4.000 . 5.000 4.532 4.371 4.730 . 0 0 "[ . 1 . 2 . 3]" 2 126 1 65 ALA H 1 67 LYS H 4.000 . 5.000 4.156 4.052 4.281 . 0 0 "[ . 1 . 2 . 3]" 2 127 1 71 GLU H 1 73 ILE H 4.000 . 5.000 4.013 3.796 4.186 . 0 0 "[ . 1 . 2 . 3]" 2 128 1 72 PHE H 1 74 SER H 4.000 . 5.000 4.016 3.542 4.315 . 0 0 "[ . 1 . 2 . 3]" 2 129 1 89 GLU H 1 91 THR H 4.000 . 5.000 4.217 4.067 4.379 . 0 0 "[ . 1 . 2 . 3]" 2 130 1 91 THR H 1 93 ARG H 4.000 . 5.000 4.147 4.047 4.288 . 0 0 "[ . 1 . 2 . 3]" 2 131 1 92 SER H 1 94 ASN H 4.000 . 5.000 4.106 3.987 4.233 . 0 0 "[ . 1 . 2 . 3]" 2 132 1 93 ARG H 1 95 MET H 4.000 . 5.000 4.016 3.713 4.170 . 0 0 "[ . 1 . 2 . 3]" 2 133 1 94 ASN H 1 96 LEU H 4.000 . 5.000 4.372 3.871 4.603 . 0 0 "[ . 1 . 2 . 3]" 2 134 1 100 ILE H 1 102 CYS H 4.000 . 5.000 4.087 3.983 4.199 . 0 0 "[ . 1 . 2 . 3]" 2 135 1 106 ALA H 1 108 LYS H 4.000 . 5.000 4.050 3.816 4.226 . 0 0 "[ . 1 . 2 . 3]" 2 136 1 108 LYS H 1 110 ILE H 4.000 . 5.000 4.090 3.914 4.177 . 0 0 "[ . 1 . 2 . 3]" 2 137 1 109 LYS H 1 111 PHE H 4.000 . 5.000 4.167 4.008 4.307 . 0 0 "[ . 1 . 2 . 3]" 2 138 1 112 ASN H 1 114 MET H 4.000 . 5.000 4.625 4.442 4.859 . 0 0 "[ . 1 . 2 . 3]" 2 139 1 114 MET H 1 116 LYS H 4.000 . 5.000 4.326 4.149 4.669 . 0 0 "[ . 1 . 2 . 3]" 2 140 1 117 ASP H 1 119 TYR H 4.000 . 5.000 3.916 3.313 4.673 . 0 0 "[ . 1 . 2 . 3]" 2 141 1 118 SER H 1 120 ARG H 4.000 . 5.000 4.492 4.241 4.749 . 0 0 "[ . 1 . 2 . 3]" 2 142 1 119 TYR H 1 121 ARG H 4.000 . 5.000 4.183 4.025 4.501 . 0 0 "[ . 1 . 2 . 3]" 2 143 1 127 PHE H 1 129 LEU H 4.000 . 5.000 4.263 4.113 4.390 . 0 0 "[ . 1 . 2 . 3]" 2 144 1 128 TYR H 1 130 ASP H 4.000 . 5.000 4.288 4.038 4.525 . 0 0 "[ . 1 . 2 . 3]" 2 145 1 130 ASP H 1 132 THR H 4.000 . 5.000 3.944 3.771 4.170 . 0 0 "[ . 1 . 2 . 3]" 2 146 1 5 VAL HA 1 6 SER H 3.000 . 3.500 2.216 2.138 2.332 . 0 0 "[ . 1 . 2 . 3]" 2 147 1 6 SER HA 1 7 GLN H 2.500 . 2.900 2.378 2.243 2.484 . 0 0 "[ . 1 . 2 . 3]" 2 148 1 7 GLN HA 1 8 GLU H 3.000 . 3.500 3.479 3.401 3.544 0.044 15 0 "[ . 1 . 2 . 3]" 2 149 1 8 GLU HA 1 9 GLU H 3.000 . 3.500 3.551 3.518 3.582 0.082 20 0 "[ . 1 . 2 . 3]" 2 150 1 9 GLU HA 1 10 VAL H 4.000 . 5.000 3.594 3.572 3.618 . 0 0 "[ . 1 . 2 . 3]" 2 151 1 10 VAL HA 1 11 LYS H 4.000 . 5.000 3.548 3.504 3.594 . 0 0 "[ . 1 . 2 . 3]" 2 152 1 11 LYS HA 1 12 LYS H 3.000 . 3.500 3.533 3.502 3.558 0.058 1 0 "[ . 1 . 2 . 3]" 2 153 1 12 LYS HA 1 13 TRP H 4.000 . 5.000 3.533 3.503 3.563 . 0 0 "[ . 1 . 2 . 3]" 2 154 1 13 TRP HA 1 14 ALA H 4.000 . 5.000 3.519 3.442 3.570 . 0 0 "[ . 1 . 2 . 3]" 2 155 1 14 ALA HA 1 15 GLU H 4.000 . 5.000 3.372 3.341 3.405 . 0 0 "[ . 1 . 2 . 3]" 2 156 1 15 GLU HA 1 16 SER H 4.000 . 5.000 3.554 3.488 3.586 . 0 0 "[ . 1 . 2 . 3]" 2 157 1 16 SER HA 1 17 LEU H 2.500 . 2.900 2.247 2.198 2.368 . 0 0 "[ . 1 . 2 . 3]" 2 158 1 17 LEU HA 1 18 GLU H 4.000 . 5.000 3.548 3.528 3.568 . 0 0 "[ . 1 . 2 . 3]" 2 159 1 18 GLU HA 1 19 ASN H 3.000 . 3.500 3.564 3.548 3.585 0.085 21 0 "[ . 1 . 2 . 3]" 2 160 1 19 ASN HA 1 20 LEU H 4.000 . 5.000 3.575 3.553 3.596 . 0 0 "[ . 1 . 2 . 3]" 2 161 1 20 LEU HA 1 21 ILE H 4.000 . 5.000 3.563 3.529 3.597 . 0 0 "[ . 1 . 2 . 3]" 2 162 1 21 ILE HA 1 22 ASN H 3.000 . 3.500 3.491 3.434 3.547 0.047 8 0 "[ . 1 . 2 . 3]" 2 163 1 22 ASN HA 1 23 HIS H 4.000 . 5.000 3.354 3.265 3.442 . 0 0 "[ . 1 . 2 . 3]" 2 164 1 23 HIS HA 1 24 GLU H 2.500 . 2.900 2.221 2.168 2.254 . 0 0 "[ . 1 . 2 . 3]" 2 165 1 24 GLU HA 1 25 CYS H 4.000 . 5.000 3.567 3.543 3.603 . 0 0 "[ . 1 . 2 . 3]" 2 166 1 25 CYS HA 1 26 GLY H 4.000 . 5.000 3.519 3.473 3.553 . 0 0 "[ . 1 . 2 . 3]" 2 167 1 26 GLY QA 1 27 LEU H 3.000 . 4.500 2.681 2.628 2.736 . 0 0 "[ . 1 . 2 . 3]" 2 168 1 27 LEU HA 1 28 ALA H 4.000 . 5.000 3.575 3.554 3.593 . 0 0 "[ . 1 . 2 . 3]" 2 169 1 28 ALA HA 1 29 ALA H 3.000 . 3.500 3.562 3.536 3.579 0.079 17 0 "[ . 1 . 2 . 3]" 2 170 1 29 ALA HA 1 30 PHE H 4.000 . 5.000 3.555 3.519 3.573 . 0 0 "[ . 1 . 2 . 3]" 2 171 1 30 PHE HA 1 31 LYS H 4.000 . 5.000 3.581 3.555 3.607 . 0 0 "[ . 1 . 2 . 3]" 2 172 1 31 LYS HA 1 32 ALA H 4.000 . 5.000 3.559 3.539 3.583 . 0 0 "[ . 1 . 2 . 3]" 2 173 1 33 PHE HA 1 34 LEU H 3.000 . 3.500 3.561 3.544 3.590 0.090 12 0 "[ . 1 . 2 . 3]" 2 174 1 34 LEU HA 1 35 LYS H 4.000 . 5.000 3.538 3.509 3.559 . 0 0 "[ . 1 . 2 . 3]" 2 175 1 35 LYS HA 1 36 SER H 4.000 . 5.000 3.543 3.530 3.557 . 0 0 "[ . 1 . 2 . 3]" 2 176 1 36 SER HA 1 37 GLU H 3.000 . 3.500 3.513 3.446 3.555 0.055 28 0 "[ . 1 . 2 . 3]" 2 177 1 37 GLU HA 1 38 TYR H 3.000 . 3.500 3.230 3.169 3.310 . 0 0 "[ . 1 . 2 . 3]" 2 178 1 38 TYR HA 1 39 SER H 3.000 . 3.500 2.914 2.817 3.089 . 0 0 "[ . 1 . 2 . 3]" 2 179 1 39 SER HA 1 40 GLU H 3.000 . 3.500 2.973 2.805 3.104 . 0 0 "[ . 1 . 2 . 3]" 2 180 1 40 GLU HA 1 41 GLU H 4.000 . 5.000 3.467 3.373 3.540 . 0 0 "[ . 1 . 2 . 3]" 2 181 1 41 GLU HA 1 42 ASN H 4.000 . 5.000 3.517 3.487 3.547 . 0 0 "[ . 1 . 2 . 3]" 2 182 1 42 ASN HA 1 43 ILE H 4.000 . 5.000 3.612 3.598 3.629 . 0 0 "[ . 1 . 2 . 3]" 2 183 1 43 ILE HA 1 44 ASP H 4.000 . 5.000 3.560 3.547 3.573 . 0 0 "[ . 1 . 2 . 3]" 2 184 1 44 ASP HA 1 45 PHE H 4.000 . 5.000 3.534 3.518 3.559 . 0 0 "[ . 1 . 2 . 3]" 2 185 1 47 ILE HA 1 48 SER H 4.000 . 5.000 3.562 3.548 3.581 . 0 0 "[ . 1 . 2 . 3]" 2 186 1 48 SER HA 1 49 CYS H 4.000 . 5.000 3.548 3.527 3.578 . 0 0 "[ . 1 . 2 . 3]" 2 187 1 49 CYS HA 1 50 GLU H 3.000 . 3.500 3.553 3.511 3.596 0.096 10 0 "[ . 1 . 2 . 3]" 2 188 1 50 GLU HA 1 51 GLU H 4.000 . 5.000 3.572 3.542 3.592 . 0 0 "[ . 1 . 2 . 3]" 2 189 1 51 GLU HA 1 52 TYR H 4.000 . 5.000 3.526 3.508 3.541 . 0 0 "[ . 1 . 2 . 3]" 2 190 1 53 LYS HA 1 54 LYS H 4.000 . 5.000 3.473 3.403 3.568 . 0 0 "[ . 1 . 2 . 3]" 2 191 1 54 LYS HA 1 55 ILE H 3.000 . 3.500 3.513 3.447 3.566 0.066 20 0 "[ . 1 . 2 . 3]" 2 192 1 55 ILE HA 1 56 LYS H 2.500 . 2.900 2.198 2.164 2.242 . 0 0 "[ . 1 . 2 . 3]" 2 193 1 56 LYS HA 1 57 SER H 3.000 . 3.500 3.290 3.256 3.306 . 0 0 "[ . 1 . 2 . 3]" 2 194 1 58 PRO HA 1 59 SER H 4.000 . 5.000 3.355 3.281 3.417 . 0 0 "[ . 1 . 2 . 3]" 2 195 1 60 LYS HA 1 61 LEU H 3.000 . 3.500 3.446 3.413 3.478 . 0 0 "[ . 1 . 2 . 3]" 2 196 1 63 PRO HA 1 64 LYS H 4.000 . 5.000 3.606 3.591 3.619 . 0 0 "[ . 1 . 2 . 3]" 2 197 1 64 LYS HA 1 65 ALA H 4.000 . 5.000 3.521 3.461 3.555 . 0 0 "[ . 1 . 2 . 3]" 2 198 1 65 ALA HA 1 66 LYS H 4.000 . 5.000 3.573 3.554 3.593 . 0 0 "[ . 1 . 2 . 3]" 2 199 1 66 LYS HA 1 67 LYS H 4.000 . 5.000 3.569 3.556 3.587 . 0 0 "[ . 1 . 2 . 3]" 2 200 1 67 LYS HA 1 68 ILE H 4.000 . 5.000 3.576 3.559 3.584 . 0 0 "[ . 1 . 2 . 3]" 2 201 1 68 ILE HA 1 69 TYR H 4.000 . 5.000 3.562 3.530 3.582 . 0 0 "[ . 1 . 2 . 3]" 2 202 1 69 TYR HA 1 70 ASN H 4.000 . 5.000 3.562 3.541 3.580 . 0 0 "[ . 1 . 2 . 3]" 2 203 1 70 ASN HA 1 71 GLU H 4.000 . 5.000 3.542 3.513 3.569 . 0 0 "[ . 1 . 2 . 3]" 2 204 1 71 GLU HA 1 72 PHE H 4.000 . 5.000 3.587 3.469 3.614 . 0 0 "[ . 1 . 2 . 3]" 2 205 1 72 PHE HA 1 73 ILE H 4.000 . 5.000 3.565 3.498 3.608 . 0 0 "[ . 1 . 2 . 3]" 2 206 1 73 ILE HA 1 74 SER H 3.000 . 3.500 3.487 3.438 3.579 0.079 6 0 "[ . 1 . 2 . 3]" 2 207 1 75 VAL HA 1 76 GLN H 3.000 . 3.500 3.408 3.353 3.468 . 0 0 "[ . 1 . 2 . 3]" 2 208 1 76 GLN HA 1 77 ALA H 3.000 . 3.500 3.296 3.240 3.436 . 0 0 "[ . 1 . 2 . 3]" 2 209 1 79 LYS HA 1 80 GLU H 2.500 . 2.900 2.426 2.282 2.590 . 0 0 "[ . 1 . 2 . 3]" 2 210 1 80 GLU HA 1 81 VAL H 2.500 . 2.900 2.258 2.194 2.372 . 0 0 "[ . 1 . 2 . 3]" 2 211 1 81 VAL HA 1 82 ASN H 2.500 . 2.900 2.296 2.230 2.395 . 0 0 "[ . 1 . 2 . 3]" 2 212 1 82 ASN HA 1 83 LEU H 2.500 . 2.900 2.198 2.156 2.241 . 0 0 "[ . 1 . 2 . 3]" 2 213 1 83 LEU HA 1 84 ASP H 2.500 . 2.900 2.436 2.362 2.538 . 0 0 "[ . 1 . 2 . 3]" 2 214 1 84 ASP HA 1 85 SER H 2.500 . 2.900 2.397 2.293 2.491 . 0 0 "[ . 1 . 2 . 3]" 2 215 1 85 SER HA 1 86 CYS H 4.000 . 5.000 3.470 3.435 3.545 . 0 0 "[ . 1 . 2 . 3]" 2 216 1 86 CYS HA 1 87 THR H 3.000 . 3.500 3.554 3.521 3.584 0.084 7 0 "[ . 1 . 2 . 3]" 2 217 1 87 THR HA 1 88 ARG H 4.000 . 5.000 3.575 3.541 3.606 . 0 0 "[ . 1 . 2 . 3]" 2 218 1 88 ARG HA 1 89 GLU H 4.000 . 5.000 3.568 3.548 3.584 . 0 0 "[ . 1 . 2 . 3]" 2 219 1 89 GLU HA 1 90 GLU H 3.000 . 3.500 3.541 3.524 3.558 0.058 6 0 "[ . 1 . 2 . 3]" 2 220 1 90 GLU HA 1 91 THR H 4.000 . 5.000 3.572 3.547 3.605 . 0 0 "[ . 1 . 2 . 3]" 2 221 1 91 THR HA 1 92 SER H 4.000 . 5.000 3.558 3.542 3.588 . 0 0 "[ . 1 . 2 . 3]" 2 222 1 92 SER HA 1 93 ARG H 4.000 . 5.000 3.550 3.532 3.582 . 0 0 "[ . 1 . 2 . 3]" 2 223 1 93 ARG HA 1 94 ASN H 3.000 . 3.500 3.532 3.515 3.545 0.045 4 0 "[ . 1 . 2 . 3]" 2 224 1 94 ASN HA 1 95 MET H 3.000 . 3.500 3.486 3.419 3.554 0.054 18 0 "[ . 1 . 2 . 3]" 2 225 1 95 MET HA 1 96 LEU H 4.000 . 5.000 3.527 3.478 3.547 . 0 0 "[ . 1 . 2 . 3]" 2 226 1 96 LEU HA 1 97 GLU H 4.000 . 5.000 3.484 3.414 3.546 . 0 0 "[ . 1 . 2 . 3]" 2 227 1 98 PRO HA 1 99 THR H 2.500 . 2.900 2.188 2.137 2.207 . 0 0 "[ . 1 . 2 . 3]" 2 228 1 99 THR HA 1 100 ILE H 2.500 . 2.900 2.496 2.452 2.574 . 0 0 "[ . 1 . 2 . 3]" 2 229 1 100 ILE HA 1 101 THR H 4.000 . 5.000 3.441 3.394 3.466 . 0 0 "[ . 1 . 2 . 3]" 2 230 1 101 THR HA 1 102 CYS H 3.000 . 3.500 3.229 3.117 3.290 . 0 0 "[ . 1 . 2 . 3]" 2 231 1 102 CYS HA 1 103 PHE H 4.000 . 5.000 3.595 3.578 3.605 . 0 0 "[ . 1 . 2 . 3]" 2 232 1 103 PHE HA 1 104 ASP H 3.000 . 3.500 3.365 3.327 3.432 . 0 0 "[ . 1 . 2 . 3]" 2 233 1 104 ASP HA 1 105 GLU H 4.000 . 5.000 3.542 3.532 3.555 . 0 0 "[ . 1 . 2 . 3]" 2 234 1 105 GLU HA 1 106 ALA H 4.000 . 5.000 3.545 3.507 3.576 . 0 0 "[ . 1 . 2 . 3]" 2 235 1 106 ALA HA 1 107 GLN H 4.000 . 5.000 3.579 3.549 3.608 . 0 0 "[ . 1 . 2 . 3]" 2 236 1 107 GLN HA 1 108 LYS H 4.000 . 5.000 3.548 3.534 3.569 . 0 0 "[ . 1 . 2 . 3]" 2 237 1 108 LYS HA 1 109 LYS H 4.000 . 5.000 3.553 3.539 3.564 . 0 0 "[ . 1 . 2 . 3]" 2 238 1 110 ILE HA 1 111 PHE H 4.000 . 5.000 3.572 3.547 3.596 . 0 0 "[ . 1 . 2 . 3]" 2 239 1 111 PHE HA 1 112 ASN H 4.000 . 5.000 3.574 3.545 3.596 . 0 0 "[ . 1 . 2 . 3]" 2 240 1 112 ASN HA 1 113 LEU H 4.000 . 5.000 3.561 3.545 3.577 . 0 0 "[ . 1 . 2 . 3]" 2 241 1 113 LEU HA 1 114 MET H 4.000 . 5.000 3.591 3.566 3.607 . 0 0 "[ . 1 . 2 . 3]" 2 242 1 114 MET HA 1 115 GLU H 4.000 . 5.000 3.557 3.534 3.587 . 0 0 "[ . 1 . 2 . 3]" 2 243 1 115 GLU HA 1 116 LYS H 4.000 . 5.000 3.567 3.544 3.591 . 0 0 "[ . 1 . 2 . 3]" 2 244 1 116 LYS HA 1 117 ASP H 4.000 . 5.000 3.518 3.399 3.584 . 0 0 "[ . 1 . 2 . 3]" 2 245 1 117 ASP HA 1 118 SER H 4.000 . 5.000 3.595 3.557 3.619 . 0 0 "[ . 1 . 2 . 3]" 2 246 1 118 SER HA 1 119 TYR H 4.000 . 5.000 3.591 3.542 3.630 . 0 0 "[ . 1 . 2 . 3]" 2 247 1 119 TYR HA 1 120 ARG H 4.000 . 5.000 3.584 3.550 3.609 . 0 0 "[ . 1 . 2 . 3]" 2 248 1 120 ARG HA 1 121 ARG H 4.000 . 5.000 3.545 3.526 3.587 . 0 0 "[ . 1 . 2 . 3]" 2 249 1 121 ARG HA 1 122 PHE H 4.000 . 5.000 3.560 3.529 3.588 . 0 0 "[ . 1 . 2 . 3]" 2 250 1 122 PHE HA 1 123 LEU H 4.000 . 5.000 3.575 3.553 3.591 . 0 0 "[ . 1 . 2 . 3]" 2 251 1 123 LEU HA 1 124 LYS H 4.000 . 5.000 3.527 3.462 3.554 . 0 0 "[ . 1 . 2 . 3]" 2 252 1 124 LYS HA 1 125 SER H 3.000 . 3.500 3.304 3.118 3.413 . 0 0 "[ . 1 . 2 . 3]" 2 253 1 125 SER HA 1 126 ARG H 2.500 . 2.900 2.346 2.235 2.450 . 0 0 "[ . 1 . 2 . 3]" 2 254 1 126 ARG HA 1 127 PHE H 4.000 . 5.000 3.557 3.513 3.577 . 0 0 "[ . 1 . 2 . 3]" 2 255 1 127 PHE HA 1 128 TYR H 4.000 . 5.000 3.575 3.542 3.608 . 0 0 "[ . 1 . 2 . 3]" 2 256 1 128 TYR HA 1 129 LEU H 3.000 . 3.500 3.567 3.547 3.578 0.078 29 0 "[ . 1 . 2 . 3]" 2 257 1 129 LEU HA 1 130 ASP H 4.000 . 5.000 3.581 3.558 3.600 . 0 0 "[ . 1 . 2 . 3]" 2 258 1 130 ASP HA 1 131 LEU H 4.000 . 5.000 3.560 3.540 3.581 . 0 0 "[ . 1 . 2 . 3]" 2 259 1 131 LEU HA 1 132 THR H 4.000 . 5.000 3.524 3.466 3.569 . 0 0 "[ . 1 . 2 . 3]" 2 260 1 132 THR HA 1 133 ASN H 2.500 . 2.900 2.444 2.223 2.715 . 0 0 "[ . 1 . 2 . 3]" 2 261 1 6 SER HA 1 8 GLU H 4.000 . 5.000 4.083 3.832 4.373 . 0 0 "[ . 1 . 2 . 3]" 2 262 1 8 GLU HA 1 10 VAL H 4.000 . 5.000 4.752 4.612 4.990 . 0 0 "[ . 1 . 2 . 3]" 2 263 1 9 GLU HA 1 11 LYS H 4.000 . 5.000 4.326 4.033 4.552 . 0 0 "[ . 1 . 2 . 3]" 2 264 1 11 LYS HA 1 13 TRP H 4.000 . 5.000 4.123 3.906 4.303 . 0 0 "[ . 1 . 2 . 3]" 2 265 1 12 LYS HA 1 14 ALA H 4.000 . 5.000 3.936 3.530 4.265 . 0 0 "[ . 1 . 2 . 3]" 2 266 1 16 SER HA 1 18 GLU H 4.000 . 5.000 4.220 4.075 4.391 . 0 0 "[ . 1 . 2 . 3]" 2 267 1 18 GLU HA 1 20 LEU H 4.000 . 5.000 4.579 4.417 4.693 . 0 0 "[ . 1 . 2 . 3]" 2 268 1 20 LEU HA 1 22 ASN H 4.000 . 5.000 4.279 4.042 4.514 . 0 0 "[ . 1 . 2 . 3]" 2 269 1 21 ILE HA 1 23 HIS H 4.000 . 5.000 3.822 3.693 4.009 . 0 0 "[ . 1 . 2 . 3]" 2 270 1 23 HIS HA 1 25 CYS H 4.000 . 5.000 4.161 3.987 4.322 . 0 0 "[ . 1 . 2 . 3]" 2 271 1 24 GLU HA 1 26 GLY H 4.000 . 5.000 4.466 4.206 4.661 . 0 0 "[ . 1 . 2 . 3]" 2 272 1 25 CYS HA 1 27 LEU H 4.000 . 5.000 4.297 4.080 4.496 . 0 0 "[ . 1 . 2 . 3]" 2 273 1 27 LEU HA 1 29 ALA H 4.000 . 5.000 4.631 4.317 4.905 . 0 0 "[ . 1 . 2 . 3]" 2 274 1 29 ALA HA 1 31 LYS H 4.000 . 5.000 4.652 4.448 4.788 . 0 0 "[ . 1 . 2 . 3]" 2 275 1 32 ALA HA 1 34 LEU H 4.000 . 5.000 4.420 4.298 4.774 . 0 0 "[ . 1 . 2 . 3]" 2 276 1 33 PHE HA 1 35 LYS H 4.000 . 5.000 4.293 4.089 4.519 . 0 0 "[ . 1 . 2 . 3]" 2 277 1 34 LEU HA 1 36 SER H 4.000 . 5.000 4.167 3.989 4.277 . 0 0 "[ . 1 . 2 . 3]" 2 278 1 35 LYS HA 1 37 GLU H 4.000 . 5.000 4.053 3.724 4.347 . 0 0 "[ . 1 . 2 . 3]" 2 279 1 36 SER HA 1 38 TYR H 4.000 . 5.000 3.871 3.777 4.022 . 0 0 "[ . 1 . 2 . 3]" 2 280 1 37 GLU HA 1 39 SER H 4.000 . 5.000 4.580 4.231 4.777 . 0 0 "[ . 1 . 2 . 3]" 2 281 1 38 TYR HA 1 40 GLU H 4.000 . 5.000 3.215 3.084 3.416 . 0 0 "[ . 1 . 2 . 3]" 2 282 1 39 SER HA 1 41 GLU H 4.000 . 5.000 3.237 2.952 3.579 . 0 0 "[ . 1 . 2 . 3]" 2 283 1 40 GLU HA 1 42 ASN H 4.000 . 5.000 3.889 3.737 4.023 . 0 0 "[ . 1 . 2 . 3]" 2 284 1 42 ASN HA 1 44 ASP H 4.000 . 5.000 4.605 4.456 4.717 . 0 0 "[ . 1 . 2 . 3]" 2 285 1 43 ILE HA 1 45 PHE H 4.000 . 5.000 4.295 4.151 4.446 . 0 0 "[ . 1 . 2 . 3]" 2 286 1 44 ASP HA 1 46 TRP H 4.000 . 5.000 4.395 4.289 4.596 . 0 0 "[ . 1 . 2 . 3]" 2 287 1 47 ILE HA 1 49 CYS H 4.000 . 5.000 4.432 4.283 4.611 . 0 0 "[ . 1 . 2 . 3]" 2 288 1 50 GLU HA 1 52 TYR H 4.000 . 5.000 4.294 4.228 4.365 . 0 0 "[ . 1 . 2 . 3]" 2 289 1 52 TYR HA 1 54 LYS H 4.000 . 5.000 4.033 3.907 4.404 . 0 0 "[ . 1 . 2 . 3]" 2 290 1 53 LYS HA 1 55 ILE H 4.000 . 5.000 4.319 4.040 4.594 . 0 0 "[ . 1 . 2 . 3]" 2 291 1 55 ILE HA 1 57 SER H 4.000 . 5.000 3.419 3.240 3.519 . 0 0 "[ . 1 . 2 . 3]" 2 292 1 58 PRO HA 1 60 LYS H 4.000 . 5.000 4.036 3.868 4.146 . 0 0 "[ . 1 . 2 . 3]" 2 293 1 63 PRO HA 1 65 ALA H 4.000 . 5.000 4.511 4.361 4.674 . 0 0 "[ . 1 . 2 . 3]" 2 294 1 64 LYS HA 1 66 LYS H 4.000 . 5.000 4.396 4.176 4.525 . 0 0 "[ . 1 . 2 . 3]" 2 295 1 67 LYS HA 1 69 TYR H 4.000 . 5.000 4.726 4.464 4.812 . 0 0 "[ . 1 . 2 . 3]" 2 296 1 75 VAL HA 1 77 ALA H 4.000 . 5.000 3.677 3.487 4.008 . 0 0 "[ . 1 . 2 . 3]" 2 297 1 77 ALA HA 1 79 LYS H 4.000 . 5.000 3.741 3.535 4.088 . 0 0 "[ . 1 . 2 . 3]" 2 298 1 85 SER HA 1 87 THR H 4.000 . 5.000 4.549 4.319 4.770 . 0 0 "[ . 1 . 2 . 3]" 2 299 1 88 ARG HA 1 90 GLU H 4.000 . 5.000 4.380 4.283 4.502 . 0 0 "[ . 1 . 2 . 3]" 2 300 1 89 GLU HA 1 92 SER H 4.000 . 5.000 3.353 3.248 3.569 . 0 0 "[ . 1 . 2 . 3]" 2 301 1 91 THR HA 1 93 ARG H 4.000 . 5.000 4.312 4.089 4.560 . 0 0 "[ . 1 . 2 . 3]" 2 302 1 92 SER HA 1 94 ASN H 4.000 . 5.000 4.354 4.129 4.530 . 0 0 "[ . 1 . 2 . 3]" 2 303 1 94 ASN HA 1 96 LEU H 4.000 . 5.000 3.970 3.768 4.178 . 0 0 "[ . 1 . 2 . 3]" 2 304 1 100 ILE HA 1 102 CYS H 4.000 . 5.000 3.583 3.506 3.731 . 0 0 "[ . 1 . 2 . 3]" 2 305 1 102 CYS HA 1 104 ASP H 4.000 . 5.000 4.316 4.227 4.376 . 0 0 "[ . 1 . 2 . 3]" 2 306 1 103 PHE HA 1 105 GLU H 4.000 . 5.000 3.916 3.825 4.061 . 0 0 "[ . 1 . 2 . 3]" 2 307 1 106 ALA HA 1 108 LYS H 4.000 . 5.000 4.365 4.243 4.616 . 0 0 "[ . 1 . 2 . 3]" 2 308 1 112 ASN HA 1 114 MET H 4.000 . 5.000 4.975 4.871 5.068 0.068 2 0 "[ . 1 . 2 . 3]" 2 309 1 113 LEU HA 1 115 GLU H 4.000 . 5.000 4.611 4.381 4.758 . 0 0 "[ . 1 . 2 . 3]" 2 310 1 119 TYR HA 1 121 ARG H 4.000 . 5.000 4.415 4.238 4.630 . 0 0 "[ . 1 . 2 . 3]" 2 311 1 123 LEU HA 1 125 SER H 4.000 . 5.000 3.903 3.779 4.005 . 0 0 "[ . 1 . 2 . 3]" 2 312 1 126 ARG HA 1 128 TYR H 4.000 . 5.000 4.650 4.503 4.880 . 0 0 "[ . 1 . 2 . 3]" 2 313 1 127 PHE HA 1 129 LEU H 4.000 . 5.000 4.701 4.556 4.871 . 0 0 "[ . 1 . 2 . 3]" 2 314 1 129 LEU HA 1 131 LEU H 4.000 . 5.000 4.568 4.348 4.846 . 0 0 "[ . 1 . 2 . 3]" 2 315 1 130 ASP HA 1 132 THR H 4.000 . 5.000 4.431 4.079 4.645 . 0 0 "[ . 1 . 2 . 3]" 2 316 1 7 GLN HA 1 10 VAL H 4.000 . 5.000 3.531 3.220 3.742 . 0 0 "[ . 1 . 2 . 3]" 2 317 1 8 GLU HA 1 11 LYS H 4.000 . 5.000 3.864 3.520 4.174 . 0 0 "[ . 1 . 2 . 3]" 2 318 1 9 GLU HA 1 12 LYS H 4.000 . 5.000 3.411 3.129 3.648 . 0 0 "[ . 1 . 2 . 3]" 2 319 1 10 VAL HA 1 13 TRP H 3.000 . 3.500 3.170 2.964 3.342 . 0 0 "[ . 1 . 2 . 3]" 2 320 1 11 LYS HA 1 14 ALA H 4.000 . 5.000 3.295 3.060 3.522 . 0 0 "[ . 1 . 2 . 3]" 2 321 1 12 LYS HA 1 15 GLU H 4.000 . 5.000 3.164 2.959 3.436 . 0 0 "[ . 1 . 2 . 3]" 2 322 1 18 GLU HA 1 21 ILE H 4.000 . 5.000 3.606 3.314 3.838 . 0 0 "[ . 1 . 2 . 3]" 2 323 1 19 ASN HA 1 22 ASN H 4.000 . 5.000 3.318 3.176 3.437 . 0 0 "[ . 1 . 2 . 3]" 2 324 1 20 LEU HA 1 23 HIS H 4.000 . 5.000 3.840 3.598 4.024 . 0 0 "[ . 1 . 2 . 3]" 2 325 1 23 HIS HA 1 26 GLY H 4.000 . 5.000 4.216 4.106 4.362 . 0 0 "[ . 1 . 2 . 3]" 2 326 1 24 GLU HA 1 27 LEU H 4.000 . 5.000 3.804 3.679 3.921 . 0 0 "[ . 1 . 2 . 3]" 2 327 1 25 CYS HA 1 28 ALA H 4.000 . 5.000 3.112 2.927 3.349 . 0 0 "[ . 1 . 2 . 3]" 2 328 1 26 GLY HA3 1 29 ALA H 4.000 . 6.000 4.676 4.400 4.954 . 0 0 "[ . 1 . 2 . 3]" 2 329 1 26 GLY HA2 1 29 ALA H 4.000 . 6.000 3.473 3.084 3.659 . 0 0 "[ . 1 . 2 . 3]" 2 330 1 27 LEU HA 1 30 PHE H 4.000 . 5.000 3.495 3.166 3.716 . 0 0 "[ . 1 . 2 . 3]" 2 331 1 28 ALA HA 1 31 LYS H 4.000 . 5.000 3.776 3.454 4.023 . 0 0 "[ . 1 . 2 . 3]" 2 332 1 29 ALA HA 1 32 ALA H 4.000 . 5.000 3.583 3.258 3.830 . 0 0 "[ . 1 . 2 . 3]" 2 333 1 31 LYS HA 1 34 LEU H 4.000 . 5.000 3.506 3.255 4.104 . 0 0 "[ . 1 . 2 . 3]" 2 334 1 32 ALA HA 1 35 LYS H 4.000 . 5.000 3.436 3.187 3.763 . 0 0 "[ . 1 . 2 . 3]" 2 335 1 33 PHE HA 1 36 SER H 4.000 . 5.000 3.318 3.152 3.573 . 0 0 "[ . 1 . 2 . 3]" 2 336 1 34 LEU HA 1 37 GLU H 4.000 . 5.000 3.189 2.886 3.418 . 0 0 "[ . 1 . 2 . 3]" 2 337 1 35 LYS HA 1 38 TYR H 4.000 . 5.000 3.084 2.892 3.296 . 0 0 "[ . 1 . 2 . 3]" 2 338 1 40 GLU HA 1 43 ILE H 4.000 . 5.000 3.316 3.164 3.446 . 0 0 "[ . 1 . 2 . 3]" 2 339 1 41 GLU HA 1 44 ASP H 4.000 . 5.000 3.473 3.233 3.676 . 0 0 "[ . 1 . 2 . 3]" 2 340 1 42 ASN HA 1 45 PHE H 4.000 . 5.000 3.577 3.421 3.838 . 0 0 "[ . 1 . 2 . 3]" 2 341 1 43 ILE HA 1 46 TRP H 4.000 . 5.000 3.067 2.920 3.191 . 0 0 "[ . 1 . 2 . 3]" 2 342 1 44 ASP HA 1 47 ILE H 4.000 . 5.000 3.432 3.323 3.610 . 0 0 "[ . 1 . 2 . 3]" 2 343 1 47 ILE HA 1 50 GLU H 4.000 . 5.000 3.409 3.205 3.655 . 0 0 "[ . 1 . 2 . 3]" 2 344 1 48 SER HA 1 51 GLU H 4.000 . 5.000 3.597 3.441 3.847 . 0 0 "[ . 1 . 2 . 3]" 2 345 1 50 GLU HA 1 53 LYS H 4.000 . 5.000 3.232 3.085 3.426 . 0 0 "[ . 1 . 2 . 3]" 2 346 1 51 GLU HA 1 54 LYS H 4.000 . 5.000 3.336 3.135 3.543 . 0 0 "[ . 1 . 2 . 3]" 2 347 1 52 TYR HA 1 55 ILE H 4.000 . 5.000 3.537 3.352 3.725 . 0 0 "[ . 1 . 2 . 3]" 2 348 1 61 LEU HA 1 64 LYS H 4.000 . 5.000 4.007 3.811 4.137 . 0 0 "[ . 1 . 2 . 3]" 2 349 1 62 SER HA 1 65 ALA H 4.000 . 5.000 3.582 3.489 3.715 . 0 0 "[ . 1 . 2 . 3]" 2 350 1 64 LYS HA 1 67 LYS H 4.000 . 5.000 3.178 2.969 3.301 . 0 0 "[ . 1 . 2 . 3]" 2 351 1 66 LYS HA 1 69 TYR H 4.000 . 5.000 3.638 3.531 3.736 . 0 0 "[ . 1 . 2 . 3]" 2 352 1 67 LYS HA 1 70 ASN H 4.000 . 5.000 3.753 3.396 3.935 . 0 0 "[ . 1 . 2 . 3]" 2 353 1 68 ILE HA 1 71 GLU H 4.000 . 5.000 3.539 3.371 3.668 . 0 0 "[ . 1 . 2 . 3]" 2 354 1 86 CYS HA 1 89 GLU H 4.000 . 5.000 3.490 3.257 3.652 . 0 0 "[ . 1 . 2 . 3]" 2 355 1 88 ARG HA 1 91 THR H 4.000 . 5.000 3.432 3.135 3.567 . 0 0 "[ . 1 . 2 . 3]" 2 356 1 91 THR HA 1 94 ASN H 4.000 . 5.000 3.274 3.057 3.427 . 0 0 "[ . 1 . 2 . 3]" 2 357 1 92 SER HA 1 95 MET H 4.000 . 5.000 3.507 3.039 3.704 . 0 0 "[ . 1 . 2 . 3]" 2 358 1 94 ASN HA 1 97 GLU H 4.000 . 5.000 3.122 2.959 3.371 . 0 0 "[ . 1 . 2 . 3]" 2 359 1 101 THR HA 1 104 ASP H 4.000 . 5.000 3.086 2.842 3.219 . 0 0 "[ . 1 . 2 . 3]" 2 360 1 103 PHE HA 1 106 ALA H 4.000 . 5.000 3.022 2.777 3.159 . 0 0 "[ . 1 . 2 . 3]" 2 361 1 104 ASP HA 1 107 GLN H 4.000 . 5.000 3.423 3.190 3.579 . 0 0 "[ . 1 . 2 . 3]" 2 362 1 106 ALA HA 1 109 LYS H 4.000 . 5.000 3.336 3.214 3.605 . 0 0 "[ . 1 . 2 . 3]" 2 363 1 107 GLN HA 1 110 ILE H 4.000 . 5.000 3.210 3.036 3.352 . 0 0 "[ . 1 . 2 . 3]" 2 364 1 108 LYS HA 1 111 PHE H 4.000 . 5.000 3.409 3.284 3.610 . 0 0 "[ . 1 . 2 . 3]" 2 365 1 111 PHE HA 1 114 MET H 4.000 . 5.000 3.925 3.741 4.124 . 0 0 "[ . 1 . 2 . 3]" 2 366 1 112 ASN HA 1 115 GLU H 4.000 . 5.000 3.733 3.591 3.875 . 0 0 "[ . 1 . 2 . 3]" 2 367 1 114 MET HA 1 117 ASP H 4.000 . 5.000 3.393 3.165 3.645 . 0 0 "[ . 1 . 2 . 3]" 2 368 1 115 GLU HA 1 118 SER H 4.000 . 5.000 4.422 3.848 5.124 0.124 15 0 "[ . 1 . 2 . 3]" 2 369 1 119 TYR HA 1 122 PHE H 4.000 . 5.000 3.224 3.095 3.356 . 0 0 "[ . 1 . 2 . 3]" 2 370 1 120 ARG HA 1 123 LEU H 4.000 . 5.000 3.743 3.548 4.191 . 0 0 "[ . 1 . 2 . 3]" 2 371 1 121 ARG HA 1 124 LYS H 4.000 . 5.000 3.340 3.147 3.587 . 0 0 "[ . 1 . 2 . 3]" 2 372 1 126 ARG HA 1 129 LEU H 4.000 . 5.000 3.575 3.369 3.794 . 0 0 "[ . 1 . 2 . 3]" 2 373 1 127 PHE HA 1 130 ASP H 4.000 . 5.000 3.711 3.470 4.088 . 0 0 "[ . 1 . 2 . 3]" 2 374 1 129 LEU HA 1 132 THR H 4.000 . 5.000 3.363 3.104 3.692 . 0 0 "[ . 1 . 2 . 3]" 2 375 1 130 ASP HA 1 133 ASN H 4.000 . 5.000 5.044 4.733 5.250 0.250 19 0 "[ . 1 . 2 . 3]" 2 376 1 9 GLU HA 1 13 TRP H 4.000 . 5.000 4.708 4.121 5.079 0.079 7 0 "[ . 1 . 2 . 3]" 2 377 1 11 LYS HA 1 15 GLU H 4.000 . 5.000 5.032 4.807 5.157 0.157 28 0 "[ . 1 . 2 . 3]" 2 378 1 17 LEU HA 1 21 ILE H 4.000 . 5.000 4.209 3.895 4.518 . 0 0 "[ . 1 . 2 . 3]" 2 379 1 27 LEU HA 1 31 LYS H 4.000 . 5.000 3.408 3.072 3.727 . 0 0 "[ . 1 . 2 . 3]" 2 380 1 31 LYS HA 1 35 LYS H 4.000 . 5.000 4.366 3.816 4.623 . 0 0 "[ . 1 . 2 . 3]" 2 381 1 32 ALA HA 1 36 SER H 4.000 . 5.000 4.605 4.076 5.090 0.090 28 0 "[ . 1 . 2 . 3]" 2 382 1 40 GLU HA 1 44 ASP H 4.000 . 5.000 4.352 3.879 4.690 . 0 0 "[ . 1 . 2 . 3]" 2 383 1 42 ASN HA 1 46 TRP H 4.000 . 5.000 3.939 3.639 4.229 . 0 0 "[ . 1 . 2 . 3]" 2 384 1 43 ILE HA 1 47 ILE H 4.000 . 5.000 3.908 3.713 4.118 . 0 0 "[ . 1 . 2 . 3]" 2 385 1 44 ASP HA 1 48 SER H 4.000 . 5.000 4.281 4.015 4.576 . 0 0 "[ . 1 . 2 . 3]" 2 386 1 47 ILE HA 1 51 GLU H 4.000 . 5.000 4.233 3.857 4.486 . 0 0 "[ . 1 . 2 . 3]" 2 387 1 48 SER HA 1 52 TYR H 4.000 . 5.000 4.350 3.997 4.599 . 0 0 "[ . 1 . 2 . 3]" 2 388 1 50 GLU HA 1 54 LYS H 4.000 . 5.000 4.477 4.175 4.807 . 0 0 "[ . 1 . 2 . 3]" 2 389 1 63 PRO HA 1 67 LYS H 4.000 . 5.000 4.776 4.448 5.122 0.122 5 0 "[ . 1 . 2 . 3]" 2 390 1 66 LYS HA 1 70 ASN H 4.000 . 5.000 3.376 3.144 3.769 . 0 0 "[ . 1 . 2 . 3]" 2 391 1 67 LYS HA 1 71 GLU H 4.000 . 5.000 3.842 3.565 4.152 . 0 0 "[ . 1 . 2 . 3]" 2 392 1 68 ILE HA 1 72 PHE H 4.000 . 5.000 3.388 3.114 4.046 . 0 0 "[ . 1 . 2 . 3]" 2 393 1 86 CYS HA 1 90 GLU H 4.000 . 5.000 3.924 3.530 4.601 . 0 0 "[ . 1 . 2 . 3]" 2 394 1 88 ARG HA 1 92 SER H 4.000 . 5.000 4.446 4.143 4.631 . 0 0 "[ . 1 . 2 . 3]" 2 395 1 90 GLU HA 1 94 ASN H 4.000 . 5.000 4.256 3.922 4.530 . 0 0 "[ . 1 . 2 . 3]" 2 396 1 91 THR HA 1 95 MET H 4.000 . 5.000 4.535 3.909 5.079 0.079 25 0 "[ . 1 . 2 . 3]" 2 397 1 98 PRO HA 1 102 CYS H 5.000 3.000 6.000 5.466 5.288 5.696 . 0 0 "[ . 1 . 2 . 3]" 2 398 1 106 ALA HA 1 110 ILE H 4.000 . 5.000 4.276 3.948 4.595 . 0 0 "[ . 1 . 2 . 3]" 2 399 1 108 LYS HA 1 112 ASN H 4.000 . 5.000 3.899 3.542 4.442 . 0 0 "[ . 1 . 2 . 3]" 2 400 1 112 ASN HA 1 116 LYS H 4.000 . 5.000 3.653 3.142 4.062 . 0 0 "[ . 1 . 2 . 3]" 2 401 1 113 LEU HA 1 117 ASP H 4.000 . 5.000 4.291 3.816 4.626 . 0 0 "[ . 1 . 2 . 3]" 2 402 1 115 GLU HA 1 119 TYR H 4.000 . 5.000 2.955 2.476 3.481 . 0 0 "[ . 1 . 2 . 3]" 2 403 1 126 ARG HA 1 130 ASP H 4.000 . 5.000 3.673 3.124 4.220 . 0 0 "[ . 1 . 2 . 3]" 2 404 1 7 GLN HA 1 10 VAL HB 4.000 . 5.000 4.853 4.671 5.049 0.049 22 0 "[ . 1 . 2 . 3]" 2 405 1 8 GLU HA 1 11 LYS QB 4.000 . 6.000 3.135 2.432 3.689 . 0 0 "[ . 1 . 2 . 3]" 2 406 1 9 GLU HA 1 12 LYS HB3 4.000 . 5.000 4.560 4.092 5.026 0.026 7 0 "[ . 1 . 2 . 3]" 2 407 1 12 LYS HA 1 15 GLU QB 4.000 . 6.000 2.505 2.286 3.037 . 0 0 "[ . 1 . 2 . 3]" 2 408 1 17 LEU HA 1 20 LEU QB 4.000 . 6.000 2.858 2.604 3.098 . 0 0 "[ . 1 . 2 . 3]" 2 409 1 19 ASN HA 1 22 ASN QB 4.000 . 6.000 2.401 2.258 2.661 . 0 0 "[ . 1 . 2 . 3]" 2 410 1 24 GLU HA 1 27 LEU HB2 4.000 . 5.000 3.175 2.851 3.428 . 0 0 "[ . 1 . 2 . 3]" 2 411 1 25 CYS HA 1 28 ALA MB 4.000 . 6.500 2.423 2.228 2.680 . 0 0 "[ . 1 . 2 . 3]" 2 412 1 26 GLY QA 1 28 ALA MB 4.000 . 7.500 4.639 4.312 4.827 . 0 0 "[ . 1 . 2 . 3]" 2 413 1 29 ALA HA 1 32 ALA MB 4.000 . 6.500 2.700 2.351 3.235 . 0 0 "[ . 1 . 2 . 3]" 2 414 1 30 PHE HA 1 33 PHE QB 4.000 . 6.000 2.416 2.162 3.299 . 0 0 "[ . 1 . 2 . 3]" 2 415 1 32 ALA HA 1 35 LYS QB 4.000 . 6.000 2.818 2.268 3.349 . 0 0 "[ . 1 . 2 . 3]" 2 416 1 34 LEU HA 1 37 GLU HB2 4.000 . 5.000 2.795 2.320 3.256 . 0 0 "[ . 1 . 2 . 3]" 2 417 1 40 GLU HA 1 43 ILE HB 4.000 . 5.000 4.091 3.678 4.478 . 0 0 "[ . 1 . 2 . 3]" 2 418 1 41 GLU HA 1 44 ASP QB 4.000 . 6.000 2.514 2.328 2.767 . 0 0 "[ . 1 . 2 . 3]" 2 419 1 44 ASP HA 1 47 ILE HB 4.000 . 5.000 2.899 2.634 3.146 . 0 0 "[ . 1 . 2 . 3]" 2 420 1 47 ILE HA 1 50 GLU QB 4.000 . 6.000 2.668 2.263 3.557 . 0 0 "[ . 1 . 2 . 3]" 2 421 1 48 SER HA 1 51 GLU HB3 4.000 . 5.000 4.693 4.350 5.036 0.036 29 0 "[ . 1 . 2 . 3]" 2 422 1 48 SER HA 1 51 GLU HB2 4.000 . 5.000 3.074 2.725 3.368 . 0 0 "[ . 1 . 2 . 3]" 2 423 1 50 GLU HA 1 53 LYS HB2 4.000 . 5.000 2.599 2.331 2.959 . 0 0 "[ . 1 . 2 . 3]" 2 424 1 51 GLU HA 1 54 LYS HB3 4.000 . 5.000 4.338 4.043 4.783 . 0 0 "[ . 1 . 2 . 3]" 2 425 1 51 GLU HA 1 54 LYS HB2 4.000 . 5.000 2.724 2.371 3.121 . 0 0 "[ . 1 . 2 . 3]" 2 426 1 62 SER HA 1 65 ALA MB 4.000 . 6.500 2.280 2.227 2.525 . 0 0 "[ . 1 . 2 . 3]" 2 427 1 63 PRO HA 1 66 LYS HB2 4.000 . 5.000 3.855 3.433 4.462 . 0 0 "[ . 1 . 2 . 3]" 2 428 1 64 LYS HA 1 67 LYS QB 4.000 . 6.000 2.364 2.295 2.530 . 0 0 "[ . 1 . 2 . 3]" 2 429 1 66 LYS HA 1 69 TYR HB3 4.000 . 5.000 2.460 2.302 2.709 . 0 0 "[ . 1 . 2 . 3]" 2 430 1 66 LYS HA 1 69 TYR HB2 4.000 . 5.000 3.711 3.218 3.952 . 0 0 "[ . 1 . 2 . 3]" 2 431 1 67 LYS HA 1 70 ASN HB3 4.000 . 5.000 4.371 3.946 4.706 . 0 0 "[ . 1 . 2 . 3]" 2 432 1 67 LYS HA 1 70 ASN HB2 4.000 . 5.000 2.765 2.349 3.083 . 0 0 "[ . 1 . 2 . 3]" 2 433 1 68 ILE HA 1 71 GLU QB 4.000 . 6.000 2.699 2.436 3.058 . 0 0 "[ . 1 . 2 . 3]" 2 434 1 86 CYS HA 1 89 GLU HB3 4.000 . 5.000 4.298 3.937 4.766 . 0 0 "[ . 1 . 2 . 3]" 2 435 1 86 CYS HA 1 89 GLU HB2 4.000 . 5.000 2.669 2.327 3.184 . 0 0 "[ . 1 . 2 . 3]" 2 436 1 87 THR HA 1 90 GLU QB 4.000 . 6.000 2.425 2.247 2.813 . 0 0 "[ . 1 . 2 . 3]" 2 437 1 88 ARG HA 1 91 THR HB 4.000 . 5.000 3.353 2.810 3.594 . 0 0 "[ . 1 . 2 . 3]" 2 438 1 90 GLU HA 1 93 ARG HB2 4.000 . 5.000 2.777 2.505 3.206 . 0 0 "[ . 1 . 2 . 3]" 2 439 1 91 THR HA 1 94 ASN HB2 4.000 . 5.000 2.576 2.333 3.000 . 0 0 "[ . 1 . 2 . 3]" 2 440 1 92 SER HA 1 95 MET HB2 4.000 . 5.000 3.523 2.364 4.158 . 0 0 "[ . 1 . 2 . 3]" 2 441 1 104 ASP HA 1 107 GLN HB3 4.000 . 5.000 2.958 2.496 4.333 . 0 0 "[ . 1 . 2 . 3]" 2 442 1 104 ASP HA 1 107 GLN HB2 4.000 . 5.000 3.612 2.747 4.118 . 0 0 "[ . 1 . 2 . 3]" 2 443 1 105 GLU HA 1 108 LYS QB 4.000 . 6.000 2.679 2.331 2.878 . 0 0 "[ . 1 . 2 . 3]" 2 444 1 106 ALA HA 1 109 LYS QB 4.000 . 6.000 2.761 2.613 3.159 . 0 0 "[ . 1 . 2 . 3]" 2 445 1 107 GLN HA 1 110 ILE HB 4.000 . 5.000 2.643 2.348 2.952 . 0 0 "[ . 1 . 2 . 3]" 2 446 1 108 LYS HA 1 111 PHE QB 4.000 . 6.000 2.498 2.334 2.853 . 0 0 "[ . 1 . 2 . 3]" 2 447 1 109 LYS HA 1 112 ASN HB3 4.000 . 5.000 4.276 4.015 4.942 . 0 0 "[ . 1 . 2 . 3]" 2 448 1 110 ILE HA 1 113 LEU HB3 4.000 . 5.000 2.498 2.294 3.766 . 0 0 "[ . 1 . 2 . 3]" 2 449 1 110 ILE HA 1 113 LEU HB2 4.000 . 5.000 3.335 2.247 3.759 . 0 0 "[ . 1 . 2 . 3]" 2 450 1 112 ASN HA 1 115 GLU QB 4.000 . 6.000 2.464 2.298 2.868 . 0 0 "[ . 1 . 2 . 3]" 2 451 1 113 LEU HA 1 116 LYS HB2 4.000 . 5.000 3.310 2.957 4.026 . 0 0 "[ . 1 . 2 . 3]" 2 452 1 114 MET HA 1 117 ASP QB 4.000 . 6.000 3.144 2.325 4.774 . 0 0 "[ . 1 . 2 . 3]" 2 453 1 117 ASP HA 1 120 ARG HB2 4.000 . 5.000 3.526 2.796 4.237 . 0 0 "[ . 1 . 2 . 3]" 2 454 1 119 TYR HA 1 122 PHE QB 4.000 . 6.000 2.253 2.094 2.487 . 0 0 "[ . 1 . 2 . 3]" 2 455 1 121 ARG HA 1 124 LYS HB2 4.000 . 5.000 2.623 2.411 2.945 . 0 0 "[ . 1 . 2 . 3]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 78 _Distance_constraint_stats_list.Viol_count 296 _Distance_constraint_stats_list.Viol_total 417.637 _Distance_constraint_stats_list.Viol_max 0.349 _Distance_constraint_stats_list.Viol_rms 0.0219 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0059 _Distance_constraint_stats_list.Viol_average_violations_only 0.0470 _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 17 LEU 0.038 0.037 27 0 "[ . 1 . 2 . 3]" 1 18 GLU 0.004 0.004 18 0 "[ . 1 . 2 . 3]" 1 19 ASN 2.211 0.220 9 0 "[ . 1 . 2 . 3]" 1 21 ILE 0.038 0.037 27 0 "[ . 1 . 2 . 3]" 1 22 ASN 0.004 0.004 18 0 "[ . 1 . 2 . 3]" 1 23 HIS 2.211 0.220 9 0 "[ . 1 . 2 . 3]" 1 24 GLU 3.358 0.172 13 0 "[ . 1 . 2 . 3]" 1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 26 GLY 1.052 0.071 13 0 "[ . 1 . 2 . 3]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 28 ALA 3.724 0.172 13 0 "[ . 1 . 2 . 3]" 1 29 ALA 0.036 0.035 29 0 "[ . 1 . 2 . 3]" 1 30 PHE 1.052 0.071 13 0 "[ . 1 . 2 . 3]" 1 31 LYS 1.571 0.130 28 0 "[ . 1 . 2 . 3]" 1 32 ALA 0.366 0.067 18 0 "[ . 1 . 2 . 3]" 1 33 PHE 0.036 0.035 29 0 "[ . 1 . 2 . 3]" 1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 35 LYS 1.571 0.130 28 0 "[ . 1 . 2 . 3]" 1 40 GLU 0.558 0.089 9 0 "[ . 1 . 2 . 3]" 1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 44 ASP 0.660 0.089 9 0 "[ . 1 . 2 . 3]" 1 45 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 46 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 47 ILE 0.493 0.085 29 0 "[ . 1 . 2 . 3]" 1 48 SER 0.217 0.050 7 0 "[ . 1 . 2 . 3]" 1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 51 GLU 0.493 0.085 29 0 "[ . 1 . 2 . 3]" 1 52 TYR 0.114 0.046 29 0 "[ . 1 . 2 . 3]" 1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 62 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 86 CYS 0.011 0.011 1 0 "[ . 1 . 2 . 3]" 1 88 ARG 0.179 0.062 4 0 "[ . 1 . 2 . 3]" 1 89 GLU 0.063 0.052 15 0 "[ . 1 . 2 . 3]" 1 90 GLU 0.011 0.011 1 0 "[ . 1 . 2 . 3]" 1 92 SER 0.179 0.062 4 0 "[ . 1 . 2 . 3]" 1 93 ARG 0.063 0.052 15 0 "[ . 1 . 2 . 3]" 1 105 GLU 0.069 0.028 11 0 "[ . 1 . 2 . 3]" 1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 109 LYS 0.084 0.028 11 0 "[ . 1 . 2 . 3]" 1 110 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 111 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 113 LEU 0.269 0.084 12 0 "[ . 1 . 2 . 3]" 1 114 MET 1.463 0.349 2 0 "[ . 1 . 2 . 3]" 1 115 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 117 ASP 0.255 0.084 12 0 "[ . 1 . 2 . 3]" 1 118 SER 0.772 0.085 18 0 "[ . 1 . 2 . 3]" 1 119 TYR 1.463 0.349 2 0 "[ . 1 . 2 . 3]" 1 120 ARG 1.193 0.119 23 0 "[ . 1 . 2 . 3]" 1 122 PHE 0.772 0.085 18 0 "[ . 1 . 2 . 3]" 1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 1 124 LYS 1.193 0.119 23 0 "[ . 1 . 2 . 3]" 1 125 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]" 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 17 LEU O 1 21 ILE H 1.800 . 2.300 2.059 1.883 2.337 0.037 27 0 "[ . 1 . 2 . 3]" 3 2 1 17 LEU O 1 21 ILE N 2.800 2.400 3.300 3.026 2.851 3.301 0.001 27 0 "[ . 1 . 2 . 3]" 3 3 1 18 GLU O 1 22 ASN H 1.800 . 2.300 1.819 1.536 2.268 . 0 0 "[ . 1 . 2 . 3]" 3 4 1 18 GLU O 1 22 ASN N 2.800 2.400 3.300 2.592 2.396 2.926 0.004 18 0 "[ . 1 . 2 . 3]" 3 5 1 19 ASN O 1 23 HIS H 1.800 . 2.300 2.369 2.204 2.520 0.220 9 0 "[ . 1 . 2 . 3]" 3 6 1 19 ASN O 1 23 HIS N 2.800 2.400 3.300 2.917 2.658 3.196 . 0 0 "[ . 1 . 2 . 3]" 3 7 1 23 HIS O 1 27 LEU H 1.800 . 2.300 1.892 1.699 2.021 . 0 0 "[ . 1 . 2 . 3]" 3 8 1 23 HIS O 1 27 LEU N 2.800 2.400 3.300 2.848 2.606 2.991 . 0 0 "[ . 1 . 2 . 3]" 3 9 1 24 GLU O 1 28 ALA H 1.800 . 2.300 2.383 2.323 2.472 0.172 13 0 "[ . 1 . 2 . 3]" 3 10 1 24 GLU O 1 28 ALA N 2.800 2.400 3.300 3.324 3.255 3.379 0.079 17 0 "[ . 1 . 2 . 3]" 3 11 1 25 CYS O 1 29 ALA H 1.800 . 2.300 1.704 1.546 2.018 . 0 0 "[ . 1 . 2 . 3]" 3 12 1 25 CYS O 1 29 ALA N 2.800 2.400 3.300 2.666 2.514 2.970 . 0 0 "[ . 1 . 2 . 3]" 3 13 1 26 GLY O 1 30 PHE H 1.800 . 2.300 1.487 1.429 1.702 0.071 13 0 "[ . 1 . 2 . 3]" 3 14 1 26 GLY O 1 30 PHE N 2.800 2.400 3.300 2.408 2.357 2.653 0.043 14 0 "[ . 1 . 2 . 3]" 3 15 1 27 LEU O 1 31 LYS H 1.800 . 2.300 1.679 1.523 1.986 . 0 0 "[ . 1 . 2 . 3]" 3 16 1 27 LEU O 1 31 LYS N 2.800 2.400 3.300 2.634 2.471 2.960 . 0 0 "[ . 1 . 2 . 3]" 3 17 1 28 ALA O 1 32 ALA H 1.800 . 2.300 2.195 1.701 2.367 0.067 18 0 "[ . 1 . 2 . 3]" 3 18 1 28 ALA O 1 32 ALA N 2.800 2.400 3.300 3.117 2.608 3.312 0.012 10 0 "[ . 1 . 2 . 3]" 3 19 1 29 ALA O 1 33 PHE H 1.800 . 2.300 1.803 1.465 2.134 0.035 29 0 "[ . 1 . 2 . 3]" 3 20 1 29 ALA O 1 33 PHE N 2.800 2.400 3.300 2.729 2.399 3.083 0.001 29 0 "[ . 1 . 2 . 3]" 3 21 1 30 PHE O 1 34 LEU H 1.800 . 2.300 1.859 1.668 2.194 . 0 0 "[ . 1 . 2 . 3]" 3 22 1 30 PHE O 1 34 LEU N 2.800 2.400 3.300 2.800 2.591 3.155 . 0 0 "[ . 1 . 2 . 3]" 3 23 1 31 LYS O 1 35 LYS H 1.800 . 2.300 2.299 1.815 2.430 0.130 28 0 "[ . 1 . 2 . 3]" 3 24 1 31 LYS O 1 35 LYS N 2.800 2.400 3.300 3.208 2.713 3.331 0.031 16 0 "[ . 1 . 2 . 3]" 3 25 1 40 GLU O 1 44 ASP H 1.800 . 2.300 2.193 1.894 2.389 0.089 9 0 "[ . 1 . 2 . 3]" 3 26 1 40 GLU O 1 44 ASP N 2.800 2.400 3.300 3.162 2.854 3.364 0.064 9 0 "[ . 1 . 2 . 3]" 3 27 1 41 GLU O 1 45 PHE H 1.800 . 2.300 1.803 1.613 2.034 . 0 0 "[ . 1 . 2 . 3]" 3 28 1 41 GLU O 1 45 PHE N 2.800 2.400 3.300 2.720 2.523 2.956 . 0 0 "[ . 1 . 2 . 3]" 3 29 1 42 ASN O 1 46 TRP H 1.800 . 2.300 1.830 1.626 2.072 . 0 0 "[ . 1 . 2 . 3]" 3 30 1 42 ASN O 1 46 TRP N 2.800 2.400 3.300 2.721 2.504 2.987 . 0 0 "[ . 1 . 2 . 3]" 3 31 1 43 ILE O 1 47 ILE H 1.800 . 2.300 1.867 1.677 2.080 . 0 0 "[ . 1 . 2 . 3]" 3 32 1 43 ILE O 1 47 ILE N 2.800 2.400 3.300 2.806 2.644 2.989 . 0 0 "[ . 1 . 2 . 3]" 3 33 1 44 ASP O 1 48 SER H 1.800 . 2.300 2.142 1.924 2.350 0.050 7 0 "[ . 1 . 2 . 3]" 3 34 1 44 ASP O 1 48 SER N 2.800 2.400 3.300 3.084 2.872 3.297 . 0 0 "[ . 1 . 2 . 3]" 3 35 1 45 PHE O 1 49 CYS H 1.800 . 2.300 1.804 1.560 2.025 . 0 0 "[ . 1 . 2 . 3]" 3 36 1 45 PHE O 1 49 CYS N 2.800 2.400 3.300 2.731 2.482 2.936 . 0 0 "[ . 1 . 2 . 3]" 3 37 1 47 ILE O 1 51 GLU H 1.800 . 2.300 2.245 2.014 2.385 0.085 29 0 "[ . 1 . 2 . 3]" 3 38 1 47 ILE O 1 51 GLU N 2.800 2.400 3.300 3.197 2.985 3.342 0.042 12 0 "[ . 1 . 2 . 3]" 3 39 1 48 SER O 1 52 TYR H 1.800 . 2.300 2.163 1.868 2.346 0.046 29 0 "[ . 1 . 2 . 3]" 3 40 1 48 SER O 1 52 TYR N 2.800 2.400 3.300 3.072 2.762 3.279 . 0 0 "[ . 1 . 2 . 3]" 3 41 1 49 CYS O 1 53 LYS H 1.800 . 2.300 1.866 1.624 2.090 . 0 0 "[ . 1 . 2 . 3]" 3 42 1 49 CYS O 1 53 LYS N 2.800 2.400 3.300 2.763 2.540 2.984 . 0 0 "[ . 1 . 2 . 3]" 3 43 1 62 SER O 1 66 LYS H 1.800 . 2.300 2.048 1.815 2.255 . 0 0 "[ . 1 . 2 . 3]" 3 44 1 62 SER O 1 66 LYS N 2.800 2.400 3.300 3.010 2.787 3.199 . 0 0 "[ . 1 . 2 . 3]" 3 45 1 64 LYS O 1 68 ILE H 1.800 . 2.300 1.681 1.508 1.827 . 0 0 "[ . 1 . 2 . 3]" 3 46 1 64 LYS O 1 68 ILE N 2.800 2.400 3.300 2.651 2.487 2.803 . 0 0 "[ . 1 . 2 . 3]" 3 47 1 67 LYS O 1 71 GLU H 1.800 . 2.300 1.927 1.633 2.136 . 0 0 "[ . 1 . 2 . 3]" 3 48 1 67 LYS O 1 71 GLU N 2.800 2.400 3.300 2.817 2.540 3.043 . 0 0 "[ . 1 . 2 . 3]" 3 49 1 86 CYS O 1 90 GLU H 1.800 . 2.300 1.815 1.540 2.311 0.011 1 0 "[ . 1 . 2 . 3]" 3 50 1 86 CYS O 1 90 GLU N 2.800 2.400 3.300 2.734 2.425 3.229 . 0 0 "[ . 1 . 2 . 3]" 3 51 1 88 ARG O 1 92 SER H 1.800 . 2.300 2.208 1.978 2.362 0.062 4 0 "[ . 1 . 2 . 3]" 3 52 1 88 ARG O 1 92 SER N 2.800 2.400 3.300 3.145 2.922 3.296 . 0 0 "[ . 1 . 2 . 3]" 3 53 1 89 GLU O 1 93 ARG H 1.800 . 2.300 2.120 1.785 2.352 0.052 15 0 "[ . 1 . 2 . 3]" 3 54 1 89 GLU O 1 93 ARG N 2.800 2.400 3.300 3.035 2.707 3.223 . 0 0 "[ . 1 . 2 . 3]" 3 55 1 105 GLU O 1 109 LYS H 1.800 . 2.300 2.197 1.993 2.328 0.028 11 0 "[ . 1 . 2 . 3]" 3 56 1 105 GLU O 1 109 LYS N 2.800 2.400 3.300 3.092 2.869 3.224 . 0 0 "[ . 1 . 2 . 3]" 3 57 1 106 ALA O 1 110 ILE H 1.800 . 2.300 2.026 1.792 2.297 . 0 0 "[ . 1 . 2 . 3]" 3 58 1 106 ALA O 1 110 ILE N 2.800 2.400 3.300 2.942 2.738 3.183 . 0 0 "[ . 1 . 2 . 3]" 3 59 1 107 GLN O 1 111 PHE H 1.800 . 2.300 1.835 1.622 2.093 . 0 0 "[ . 1 . 2 . 3]" 3 60 1 107 GLN O 1 111 PHE N 2.800 2.400 3.300 2.792 2.592 3.050 . 0 0 "[ . 1 . 2 . 3]" 3 61 1 109 LYS O 1 113 LEU H 1.800 . 2.300 1.781 1.485 2.172 0.015 4 0 "[ . 1 . 2 . 3]" 3 62 1 109 LYS O 1 113 LEU N 2.800 2.400 3.300 2.696 2.433 3.109 . 0 0 "[ . 1 . 2 . 3]" 3 63 1 110 ILE O 1 114 MET H 1.800 . 2.300 1.891 1.653 2.135 . 0 0 "[ . 1 . 2 . 3]" 3 64 1 110 ILE O 1 114 MET N 2.800 2.400 3.300 2.847 2.583 3.098 . 0 0 "[ . 1 . 2 . 3]" 3 65 1 111 PHE O 1 115 GLU H 1.800 . 2.300 1.834 1.664 2.034 . 0 0 "[ . 1 . 2 . 3]" 3 66 1 111 PHE O 1 115 GLU N 2.800 2.400 3.300 2.722 2.551 2.950 . 0 0 "[ . 1 . 2 . 3]" 3 67 1 113 LEU O 1 117 ASP H 1.800 . 2.300 2.156 1.858 2.384 0.084 12 0 "[ . 1 . 2 . 3]" 3 68 1 113 LEU O 1 117 ASP N 2.800 2.400 3.300 2.997 2.725 3.319 0.019 9 0 "[ . 1 . 2 . 3]" 3 69 1 114 MET O 1 119 TYR H 1.800 . 2.300 2.186 1.820 2.649 0.349 2 0 "[ . 1 . 2 . 3]" 3 70 1 114 MET O 1 119 TYR N 2.800 2.400 3.300 3.075 2.742 3.443 0.143 2 0 "[ . 1 . 2 . 3]" 3 71 1 118 SER O 1 122 PHE H 1.800 . 2.300 1.523 1.415 1.742 0.085 18 0 "[ . 1 . 2 . 3]" 3 72 1 118 SER O 1 122 PHE N 2.800 2.400 3.300 2.441 2.369 2.620 0.031 22 0 "[ . 1 . 2 . 3]" 3 73 1 119 TYR O 1 123 LEU H 1.800 . 2.300 1.947 1.665 2.125 . 0 0 "[ . 1 . 2 . 3]" 3 74 1 119 TYR O 1 123 LEU N 2.800 2.400 3.300 2.917 2.615 3.100 . 0 0 "[ . 1 . 2 . 3]" 3 75 1 120 ARG O 1 124 LYS H 1.800 . 2.300 2.318 2.140 2.419 0.119 23 0 "[ . 1 . 2 . 3]" 3 76 1 120 ARG O 1 124 LYS N 2.800 2.400 3.300 3.201 3.007 3.325 0.025 4 0 "[ . 1 . 2 . 3]" 3 77 1 122 PHE O 1 125 SER H 1.800 . 2.300 2.038 1.766 2.183 . 0 0 "[ . 1 . 2 . 3]" 3 78 1 122 PHE O 1 125 SER N 2.800 2.400 3.300 2.910 2.641 3.083 . 0 0 "[ . 1 . 2 . 3]" 3 stop_ save_
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