NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
375408 | 1f16 | 4632 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f16 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 109 _Distance_constraint_stats_list.Viol_count 100 _Distance_constraint_stats_list.Viol_total 497.135 _Distance_constraint_stats_list.Viol_max 1.130 _Distance_constraint_stats_list.Viol_rms 0.0771 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0114 _Distance_constraint_stats_list.Viol_average_violations_only 0.2486 _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 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 GLY 2.397 0.334 17 0 "[ . 1 . 2]" 1 37 ARG 2.397 0.334 17 0 "[ . 1 . 2]" 1 38 MET 5.058 0.989 11 6 "[* *. - 1+ * *]" 1 39 GLY 5.120 0.989 11 6 "[* *. - 1+ * *]" 1 40 GLY 0.062 0.040 20 0 "[ . 1 . 2]" 1 44 GLU 2.746 0.808 18 2 "[ . 1 . -+ 2]" 1 45 LEU 2.746 0.808 18 2 "[ . 1 . -+ 2]" 1 47 LEU 0.953 0.315 17 0 "[ . 1 . 2]" 1 48 ASP 0.953 0.315 17 0 "[ . 1 . 2]" 1 52 GLN 0.310 0.072 19 0 "[ . 1 . 2]" 1 53 ASP 0.310 0.072 19 0 "[ . 1 . 2]" 1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 56 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 SER 0.782 0.347 2 0 "[ . 1 . 2]" 1 73 ASN 0.782 0.347 2 0 "[ . 1 . 2]" 1 74 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 77 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 86 ASP 0.436 0.330 18 0 "[ . 1 . 2]" 1 87 SER 0.436 0.330 18 0 "[ . 1 . 2]" 1 89 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 100 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 SER 4.455 0.811 8 4 "[ . + 1 * .*- 2]" 1 102 ASP 9.805 1.130 1 7 "[+ *. * 1 *- .** 2]" 1 103 GLY 5.349 1.130 1 4 "[+ *. 1 *- . 2]" 1 107 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 109 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 114 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 116 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 120 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 122 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 127 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 128 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 129 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 131 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 134 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 135 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 136 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 138 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 139 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 140 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 141 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 142 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 143 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 145 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 146 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 149 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 150 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 151 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 152 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 153 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 154 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 155 GLN 0.807 0.142 16 0 "[ . 1 . 2]" 1 156 GLY 0.117 0.117 1 0 "[ . 1 . 2]" 1 157 GLY 0.924 0.142 16 0 "[ . 1 . 2]" 1 158 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 159 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 160 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 161 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 162 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 163 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 171 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 172 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 173 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 174 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 175 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 176 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 177 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 179 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 180 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 181 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 182 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 183 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 184 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 185 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 186 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 187 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 188 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 189 LYS 0.485 0.281 12 0 "[ . 1 . 2]" 1 190 LYS 1.170 0.281 12 0 "[ . 1 . 2]" 1 191 MET 0.899 0.262 11 0 "[ . 1 . 2]" 1 192 GLY 0.213 0.084 13 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 16 SER H 1 17 GLU H 4.000 . 5.400 2.817 2.705 2.997 . 0 0 "[ . 1 . 2]" 1 2 1 17 GLU H 1 18 GLN H 2.600 . 3.600 2.683 2.469 3.079 . 0 0 "[ . 1 . 2]" 1 3 1 18 GLN H 1 19 ILE H 2.700 . 3.700 2.589 2.471 2.701 . 0 0 "[ . 1 . 2]" 1 4 1 21 LYS H 1 22 THR H 2.600 . 3.600 2.741 2.530 2.962 . 0 0 "[ . 1 . 2]" 1 5 1 22 THR H 1 158 TRP HE1 4.100 2.700 5.500 4.079 3.619 4.587 . 0 0 "[ . 1 . 2]" 1 6 1 22 THR H 1 23 GLY H 2.700 . 3.700 2.679 2.603 2.786 . 0 0 "[ . 1 . 2]" 1 7 1 23 GLY H 1 158 TRP HE1 3.100 . 4.200 3.129 2.592 3.983 . 0 0 "[ . 1 . 2]" 1 8 1 23 GLY H 1 24 ALA H 2.700 . 3.600 2.890 2.734 3.058 . 0 0 "[ . 1 . 2]" 1 9 1 24 ALA H 1 25 LEU H 2.500 . 3.300 2.645 2.518 2.785 . 0 0 "[ . 1 . 2]" 1 10 1 25 LEU H 1 26 LEU H 2.600 . 3.600 2.552 2.469 2.633 . 0 0 "[ . 1 . 2]" 1 11 1 26 LEU H 1 27 LEU H 2.600 . 3.500 3.081 2.972 3.190 . 0 0 "[ . 1 . 2]" 1 12 1 27 LEU H 1 28 GLN H 2.800 . 3.800 2.860 2.815 2.908 . 0 0 "[ . 1 . 2]" 1 13 1 29 GLY H 1 30 PHE H 2.800 . 3.800 2.729 2.517 2.945 . 0 0 "[ . 1 . 2]" 1 14 1 30 PHE H 1 31 ILE H 2.800 . 3.800 2.750 2.555 2.920 . 0 0 "[ . 1 . 2]" 1 15 1 32 GLN H 1 33 ASP H 2.800 . 3.800 2.857 2.575 3.021 . 0 0 "[ . 1 . 2]" 1 16 1 34 ARG H 1 35 ALA H 2.800 . 3.800 2.575 2.413 2.881 . 0 0 "[ . 1 . 2]" 1 17 1 35 ALA H 1 36 GLY H 2.600 . 3.400 2.456 2.112 2.890 . 0 0 "[ . 1 . 2]" 1 18 1 36 GLY H 1 37 ARG H 3.100 . 4.200 3.868 2.102 4.534 0.334 17 0 "[ . 1 . 2]" 1 19 1 38 MET H 1 39 GLY H 2.700 . 3.700 3.352 1.550 4.689 0.989 11 6 "[* *. - 1+ * *]" 1 20 1 39 GLY H 1 40 GLY H 3.100 . 4.200 3.149 1.498 4.240 0.040 20 0 "[ . 1 . 2]" 1 21 1 44 GLU H 1 45 LEU H 2.900 . 3.900 3.325 1.875 4.708 0.808 18 2 "[ . 1 . -+ 2]" 1 22 1 47 LEU H 1 48 ASP H 2.900 . 3.900 3.290 1.675 4.215 0.315 17 0 "[ . 1 . 2]" 1 23 1 52 GLN H 1 53 ASP H 3.100 . 4.100 3.951 3.528 4.172 0.072 19 0 "[ . 1 . 2]" 1 24 1 55 SER H 1 56 THR H 3.000 . 4.000 2.637 2.546 2.710 . 0 0 "[ . 1 . 2]" 1 25 1 59 LEU H 1 60 SER H 2.900 . 3.900 2.629 2.564 2.691 . 0 0 "[ . 1 . 2]" 1 26 1 60 SER H 1 61 GLU H 2.800 . 3.800 2.429 2.343 2.532 . 0 0 "[ . 1 . 2]" 1 27 1 61 GLU H 1 62 CYS H 2.800 . 3.800 2.670 2.518 2.861 . 0 0 "[ . 1 . 2]" 1 28 1 62 CYS H 1 63 LEU H 2.900 . 3.900 2.683 2.557 2.813 . 0 0 "[ . 1 . 2]" 1 29 1 64 LYS H 1 65 ARG H 2.500 . 3.300 2.537 2.435 2.655 . 0 0 "[ . 1 . 2]" 1 30 1 66 ILE H 1 67 GLY H 3.200 . 4.300 2.431 2.282 2.717 . 0 0 "[ . 1 . 2]" 1 31 1 67 GLY H 1 68 ASP H 3.000 . 4.000 2.751 2.575 2.995 . 0 0 "[ . 1 . 2]" 1 32 1 68 ASP H 1 69 GLU H 2.800 . 3.800 2.547 2.333 2.708 . 0 0 "[ . 1 . 2]" 1 33 1 69 GLU H 1 70 LEU H 3.300 . 4.400 2.510 2.276 2.874 . 0 0 "[ . 1 . 2]" 1 34 1 71 ASP H 1 72 SER H 2.900 . 3.900 2.623 2.410 2.894 . 0 0 "[ . 1 . 2]" 1 35 1 72 SER H 1 73 ASN H 2.500 . 3.300 2.811 2.210 3.647 0.347 2 0 "[ . 1 . 2]" 1 36 1 73 ASN H 1 74 MET H 3.500 . 4.800 4.222 3.297 4.449 . 0 0 "[ . 1 . 2]" 1 37 1 74 MET H 1 75 GLU H 2.700 . 3.600 2.602 2.412 3.130 . 0 0 "[ . 1 . 2]" 1 38 1 75 GLU H 1 76 LEU H 2.500 . 3.300 2.625 2.415 3.024 . 0 0 "[ . 1 . 2]" 1 39 1 76 LEU H 1 77 GLN H 2.800 . 3.800 2.621 2.358 2.992 . 0 0 "[ . 1 . 2]" 1 40 1 78 ARG H 1 79 MET H 2.400 . 3.200 2.558 2.315 2.715 . 0 0 "[ . 1 . 2]" 1 41 1 81 ALA H 1 82 ALA H 2.500 . 3.300 2.468 2.424 2.521 . 0 0 "[ . 1 . 2]" 1 42 1 84 ASP H 1 85 THR H 3.500 . 4.800 3.893 2.315 4.692 . 0 0 "[ . 1 . 2]" 1 43 1 86 ASP H 1 87 SER H 2.800 . 3.800 2.812 1.526 4.130 0.330 18 0 "[ . 1 . 2]" 1 44 1 89 ARG H 1 90 GLU H 2.600 . 3.500 2.665 2.530 2.836 . 0 0 "[ . 1 . 2]" 1 45 1 91 VAL H 1 92 PHE H 2.900 . 3.900 2.639 2.293 2.814 . 0 0 "[ . 1 . 2]" 1 46 1 92 PHE H 1 93 PHE H 3.000 . 4.000 2.925 2.810 3.075 . 0 0 "[ . 1 . 2]" 1 47 1 96 ALA H 1 97 ALA H 2.500 . 3.300 2.773 2.677 2.904 . 0 0 "[ . 1 . 2]" 1 48 1 97 ALA H 1 98 ASP H 2.500 . 3.300 2.668 2.324 2.936 . 0 0 "[ . 1 . 2]" 1 49 1 98 ASP H 1 99 MET H 2.600 . 3.500 2.676 2.602 2.787 . 0 0 "[ . 1 . 2]" 1 50 1 99 MET H 1 100 PHE H 2.800 . 3.800 2.689 2.532 2.890 . 0 0 "[ . 1 . 2]" 1 51 1 100 PHE H 1 101 SER H 2.400 . 3.200 2.511 1.924 3.110 . 0 0 "[ . 1 . 2]" 1 52 1 101 SER H 1 102 ASP H 2.800 . 3.800 3.716 2.602 4.611 0.811 8 4 "[ . + 1 * .*- 2]" 1 53 1 102 ASP H 1 103 GLY H 2.500 . 3.300 3.116 1.526 4.430 1.130 1 4 "[+ *. 1 *- . 2]" 1 54 1 107 TRP H 1 108 GLY H 4.400 . 5.900 2.617 1.788 3.403 . 0 0 "[ . 1 . 2]" 1 55 1 108 GLY H 1 109 ARG H 3.300 . 4.400 2.562 2.330 2.859 . 0 0 "[ . 1 . 2]" 1 56 1 109 ARG H 1 110 VAL H 2.900 . 3.900 2.742 2.556 3.145 . 0 0 "[ . 1 . 2]" 1 57 1 110 VAL H 1 111 VAL H 2.800 . 3.800 2.852 2.635 3.199 . 0 0 "[ . 1 . 2]" 1 58 1 111 VAL H 1 112 ALA H 2.800 . 3.800 2.658 2.276 2.967 . 0 0 "[ . 1 . 2]" 1 59 1 112 ALA H 1 113 LEU H 2.600 . 3.400 2.714 2.579 3.103 . 0 0 "[ . 1 . 2]" 1 60 1 113 LEU H 1 114 PHE H 2.900 . 3.900 2.670 2.399 2.933 . 0 0 "[ . 1 . 2]" 1 61 1 114 PHE H 1 115 TYR H 2.900 . 3.900 2.863 2.791 2.912 . 0 0 "[ . 1 . 2]" 1 62 1 116 PHE H 1 117 ALA H 2.900 . 3.900 2.789 2.701 2.870 . 0 0 "[ . 1 . 2]" 1 63 1 117 ALA H 1 118 SER H 2.900 . 3.900 2.623 2.580 2.700 . 0 0 "[ . 1 . 2]" 1 64 1 118 SER H 1 119 LYS H 2.900 . 3.900 2.854 2.793 2.920 . 0 0 "[ . 1 . 2]" 1 65 1 120 LEU H 1 121 VAL H 2.900 . 3.900 2.781 2.581 2.905 . 0 0 "[ . 1 . 2]" 1 66 1 122 LEU H 1 123 LYS H 2.700 . 3.700 2.943 2.739 3.084 . 0 0 "[ . 1 . 2]" 1 67 1 124 ALA H 1 125 LEU H 2.600 . 3.400 2.480 2.443 2.524 . 0 0 "[ . 1 . 2]" 1 68 1 126 CYS H 1 127 THR H 2.900 . 3.900 2.598 2.487 2.755 . 0 0 "[ . 1 . 2]" 1 69 1 128 LYS H 1 129 VAL H 2.600 . 3.500 2.947 2.542 3.245 . 0 0 "[ . 1 . 2]" 1 70 1 131 GLU H 1 132 LEU H 3.100 . 4.200 2.500 2.366 2.652 . 0 0 "[ . 1 . 2]" 1 71 1 134 ARG H 1 135 THR H 2.800 . 3.800 2.670 2.613 2.722 . 0 0 "[ . 1 . 2]" 1 72 1 135 THR H 1 136 ILE H 3.000 . 4.100 2.702 2.611 3.032 . 0 0 "[ . 1 . 2]" 1 73 1 138 GLY H 1 139 TRP H 2.600 . 3.400 2.707 2.598 2.825 . 0 0 "[ . 1 . 2]" 1 74 1 139 TRP H 1 140 THR H 2.600 . 3.500 2.593 2.530 2.629 . 0 0 "[ . 1 . 2]" 1 75 1 140 THR H 1 141 LEU H 2.900 . 3.900 2.727 2.459 3.000 . 0 0 "[ . 1 . 2]" 1 76 1 141 LEU H 1 142 ASP H 2.900 . 3.900 2.655 2.398 2.803 . 0 0 "[ . 1 . 2]" 1 77 1 142 ASP H 1 143 PHE H 2.800 . 3.800 2.699 2.520 2.891 . 0 0 "[ . 1 . 2]" 1 78 1 145 ARG H 1 146 GLU H 2.800 . 3.800 2.776 2.683 2.874 . 0 0 "[ . 1 . 2]" 1 79 1 149 LEU H 1 150 GLY H 3.100 . 4.100 2.908 2.186 3.890 . 0 0 "[ . 1 . 2]" 1 80 1 150 GLY H 1 151 TRP H 2.600 . 3.500 2.808 2.488 3.087 . 0 0 "[ . 1 . 2]" 1 81 1 151 TRP H 1 152 ILE H 3.100 . 4.200 2.665 2.473 2.864 . 0 0 "[ . 1 . 2]" 1 82 1 152 ILE H 1 153 GLN H 2.900 . 3.900 2.593 2.412 2.918 . 0 0 "[ . 1 . 2]" 1 83 1 153 GLN H 1 154 ASP H 2.800 . 3.800 2.725 2.455 2.930 . 0 0 "[ . 1 . 2]" 1 84 1 154 ASP H 1 155 GLN H 2.700 . 3.700 2.722 2.607 2.990 . 0 0 "[ . 1 . 2]" 1 85 1 155 GLN H 1 156 GLY H 2.700 . 3.700 2.636 2.459 2.839 . 0 0 "[ . 1 . 2]" 1 86 1 155 GLN H 1 157 GLY H 3.600 . 4.900 4.545 3.473 5.042 0.142 16 0 "[ . 1 . 2]" 1 87 1 156 GLY H 1 157 GLY H 2.500 . 3.300 2.468 1.841 3.417 0.117 1 0 "[ . 1 . 2]" 1 88 1 157 GLY H 1 158 TRP H 3.800 . 5.100 4.366 4.231 4.504 . 0 0 "[ . 1 . 2]" 1 89 1 159 ASP H 1 160 GLY H 2.900 . 3.900 2.642 2.523 2.768 . 0 0 "[ . 1 . 2]" 1 90 1 160 GLY H 1 161 LEU H 3.000 . 4.000 2.624 2.552 2.735 . 0 0 "[ . 1 . 2]" 1 91 1 162 LEU H 1 163 SER H 3.000 . 4.000 2.574 2.458 2.738 . 0 0 "[ . 1 . 2]" 1 92 1 171 GLN H 1 172 THR H 3.600 . 4.800 2.635 2.396 2.959 . 0 0 "[ . 1 . 2]" 1 93 1 172 THR H 1 173 VAL H 2.900 . 3.900 2.670 2.295 2.893 . 0 0 "[ . 1 . 2]" 1 94 1 174 THR H 1 175 ILE H 2.800 . 3.800 2.631 2.451 2.761 . 0 0 "[ . 1 . 2]" 1 95 1 176 PHE H 1 177 VAL H 3.100 . 4.200 2.820 2.524 3.038 . 0 0 "[ . 1 . 2]" 1 96 1 179 GLY H 1 180 VAL H 2.800 . 3.800 2.784 2.673 2.964 . 0 0 "[ . 1 . 2]" 1 97 1 180 VAL H 1 181 LEU H 2.900 . 3.900 2.590 2.509 2.775 . 0 0 "[ . 1 . 2]" 1 98 1 181 LEU H 1 182 THR H 3.000 . 4.000 2.621 2.394 2.744 . 0 0 "[ . 1 . 2]" 1 99 1 182 THR H 1 183 ALA H 3.000 . 4.000 2.631 2.527 2.851 . 0 0 "[ . 1 . 2]" 1 100 1 183 ALA H 1 184 SER H 2.800 . 3.800 2.825 2.673 2.962 . 0 0 "[ . 1 . 2]" 1 101 1 184 SER H 1 185 LEU H 2.700 . 3.700 2.660 2.374 2.863 . 0 0 "[ . 1 . 2]" 1 102 1 185 LEU H 1 186 THR H 2.600 . 3.600 2.524 2.387 2.737 . 0 0 "[ . 1 . 2]" 1 103 1 186 THR H 1 187 ILE H 2.600 . 3.600 2.572 2.347 2.823 . 0 0 "[ . 1 . 2]" 1 104 1 187 ILE H 1 188 TRP H 2.400 . 3.200 2.497 2.368 2.696 . 0 0 "[ . 1 . 2]" 1 105 1 189 LYS H 1 190 LYS H 2.900 . 3.900 3.421 1.513 4.181 0.281 12 0 "[ . 1 . 2]" 1 106 1 190 LYS H 1 191 MET H 3.000 . 4.000 3.216 1.721 4.262 0.262 11 0 "[ . 1 . 2]" 1 107 1 191 MET H 1 192 GLY H 3.200 . 4.300 3.466 2.072 4.384 0.084 13 0 "[ . 1 . 2]" 1 108 1 3 GLY QA 1 4 SER H 3.900 . 5.300 2.381 2.154 2.904 . 0 0 "[ . 1 . 2]" 1 109 1 5 GLY QA 1 6 GLU H 2.900 . 3.900 2.436 2.120 2.938 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 1741 _Distance_constraint_stats_list.Viol_count 1204 _Distance_constraint_stats_list.Viol_total 9652.482 _Distance_constraint_stats_list.Viol_max 4.761 _Distance_constraint_stats_list.Viol_rms 0.1442 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0139 _Distance_constraint_stats_list.Viol_average_violations_only 0.4009 _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 GLY 23.038 2.998 5 12 "[* * +** *****. - *]" 1 6 GLU 0.897 0.181 20 0 "[ . 1 . 2]" 1 7 GLN 22.545 2.998 5 12 "[* * +** *****. - *]" 1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ARG 0.052 0.052 9 0 "[ . 1 . 2]" 1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 GLY 43.371 2.740 9 11 "[* * * *+1*** - * *]" 1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 PRO 46.281 2.740 9 12 "[* * * *+1****- * *]" 1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 SER 2.981 1.042 14 2 "[ - 1 +. 2]" 1 16 SER 7.446 0.965 11 6 "[* -* *1+ . * 2]" 1 17 GLU 7.645 0.965 11 6 "[* -* *1+ . * 2]" 1 18 GLN 18.041 2.003 1 8 "[+ * . 1* **.* *-]" 1 19 ILE 0.570 0.093 18 0 "[ . 1 . 2]" 1 20 MET 14.027 1.715 4 10 "[* +** 1*** . -**2]" 1 21 LYS 30.585 2.003 1 14 "[+ **** 1****.****-]" 1 22 THR 0.651 0.098 8 0 "[ . 1 . 2]" 1 23 GLY 0.065 0.047 5 0 "[ . 1 . 2]" 1 24 ALA 0.511 0.085 4 0 "[ . 1 . 2]" 1 25 LEU 0.478 0.090 12 0 "[ . 1 . 2]" 1 26 LEU 0.959 0.144 1 0 "[ . 1 . 2]" 1 27 LEU 0.513 0.088 11 0 "[ . 1 . 2]" 1 28 GLN 6.908 1.337 2 4 "[ + . 1* - . * 2]" 1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 PHE 0.019 0.015 13 0 "[ . 1 . 2]" 1 31 ILE 0.303 0.057 4 0 "[ . 1 . 2]" 1 32 GLN 20.460 3.875 6 8 "[ .+ * *- .** **]" 1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 ARG 0.124 0.042 9 0 "[ . 1 . 2]" 1 35 ALA 0.310 0.100 5 0 "[ . 1 . 2]" 1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 ARG 0.455 0.114 20 0 "[ . 1 . 2]" 1 38 MET 0.393 0.114 20 0 "[ . 1 . 2]" 1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 40 GLY 0.174 0.057 10 0 "[ . 1 . 2]" 1 41 GLU 0.954 0.188 6 0 "[ . 1 . 2]" 1 42 ALA 23.471 1.721 5 12 "[ * +* - ** *** * **]" 1 43 PRO 13.017 1.280 17 11 "[** *. * -* ** +**2]" 1 44 GLU 17.711 1.721 5 12 "[ * +* - ** *** * **]" 1 45 LEU 34.880 3.875 6 14 "[** *.+ ***-*.*****]" 1 46 ALA 4.864 0.931 15 4 "[ . * -1 + *]" 1 47 LEU 7.013 1.076 15 8 "[** -. ** 1 * + *]" 1 48 ASP 5.754 0.931 15 4 "[ . * -1 + *]" 1 49 PRO 0.746 0.337 20 0 "[ . 1 . 2]" 1 50 VAL 8.589 1.479 12 7 "[ . ***1 + * - *]" 1 51 PRO 0.391 0.223 12 0 "[ . 1 . 2]" 1 52 GLN 8.008 1.479 12 7 "[ . ***1 + * - *]" 1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 ALA 23.813 1.248 1 16 "[+***.* *** *-***** *]" 1 55 SER 27.071 1.663 2 17 "[*+**.******** **** -]" 1 56 THR 0.978 0.115 16 0 "[ . 1 . 2]" 1 57 LYS 49.162 1.663 2 18 "[*+**.*******-***** *]" 1 58 LYS 0.278 0.063 3 0 "[ . 1 . 2]" 1 59 LEU 0.368 0.119 10 0 "[ . 1 . 2]" 1 60 SER 0.701 0.115 16 0 "[ . 1 . 2]" 1 61 GLU 0.238 0.085 9 0 "[ . 1 . 2]" 1 62 CYS 0.074 0.043 17 0 "[ . 1 . 2]" 1 63 LEU 0.441 0.121 6 0 "[ . 1 . 2]" 1 64 LYS 0.870 0.114 17 0 "[ . 1 . 2]" 1 65 ARG 0.016 0.016 9 0 "[ . 1 . 2]" 1 66 ILE 0.456 0.121 6 0 "[ . 1 . 2]" 1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 GLU 0.220 0.080 20 0 "[ . 1 . 2]" 1 70 LEU 0.435 0.079 2 0 "[ . 1 . 2]" 1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 SER 0.019 0.019 15 0 "[ . 1 . 2]" 1 73 ASN 0.602 0.128 16 0 "[ . 1 . 2]" 1 74 MET 3.866 0.355 8 0 "[ . 1 . 2]" 1 75 GLU 11.100 1.752 19 4 "[ -* . * 1 . +2]" 1 76 LEU 2.296 0.374 2 0 "[ . 1 . 2]" 1 77 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 ARG 0.924 0.178 9 0 "[ . 1 . 2]" 1 79 MET 3.284 0.717 14 2 "[ -. 1 +. 2]" 1 80 ILE 0.114 0.039 20 0 "[ . 1 . 2]" 1 81 ALA 0.348 0.178 9 0 "[ . 1 . 2]" 1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 VAL 38.558 4.761 16 16 "[****.* **** ***+-* *]" 1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 THR 5.773 1.479 9 4 "[ . *+1 . - *]" 1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 SER 6.048 1.479 9 4 "[ . *+1 . - *]" 1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 89 ARG 0.527 0.238 8 0 "[ . 1 . 2]" 1 90 GLU 0.692 0.238 8 0 "[ . 1 . 2]" 1 91 VAL 0.078 0.076 11 0 "[ . 1 . 2]" 1 92 PHE 0.037 0.025 4 0 "[ . 1 . 2]" 1 93 PHE 0.018 0.018 3 0 "[ . 1 . 2]" 1 94 ARG 21.183 3.332 15 8 "[- ** *1 +*** 2]" 1 95 VAL 0.093 0.084 3 0 "[ . 1 . 2]" 1 96 ALA 0.021 0.021 8 0 "[ . 1 . 2]" 1 97 ALA 0.079 0.079 15 0 "[ . 1 . 2]" 1 98 ASP 0.564 0.146 2 0 "[ . 1 . 2]" 1 99 MET 1.153 0.170 18 0 "[ . 1 . 2]" 1 100 PHE 0.285 0.110 16 0 "[ . 1 . 2]" 1 101 SER 0.564 0.146 2 0 "[ . 1 . 2]" 1 102 ASP 0.261 0.110 16 0 "[ . 1 . 2]" 1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 ASN 6.901 1.219 10 6 "[ ** *-+ * 2]" 1 105 PHE 20.729 1.850 12 13 "[ *******-* + ** *2]" 1 106 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 107 TRP 0.384 0.123 10 0 "[ . 1 . 2]" 1 108 GLY 0.323 0.068 9 0 "[ . 1 . 2]" 1 109 ARG 0.039 0.039 11 0 "[ . 1 . 2]" 1 110 VAL 0.417 0.123 10 0 "[ . 1 . 2]" 1 111 VAL 0.281 0.079 2 0 "[ . 1 . 2]" 1 112 ALA 0.329 0.088 15 0 "[ . 1 . 2]" 1 113 LEU 0.143 0.084 3 0 "[ . 1 . 2]" 1 114 PHE 0.075 0.075 14 0 "[ . 1 . 2]" 1 115 TYR 0.019 0.015 13 0 "[ . 1 . 2]" 1 116 PHE 0.260 0.070 10 0 "[ . 1 . 2]" 1 117 ALA 1.550 0.133 5 0 "[ . 1 . 2]" 1 118 SER 0.295 0.057 4 0 "[ . 1 . 2]" 1 119 LYS 0.027 0.017 2 0 "[ . 1 . 2]" 1 120 LEU 0.166 0.076 11 0 "[ . 1 . 2]" 1 121 VAL 2.202 0.133 5 0 "[ . 1 . 2]" 1 122 LEU 0.163 0.085 20 0 "[ . 1 . 2]" 1 123 LYS 39.043 4.761 16 16 "[****.* **** ***+-* *]" 1 124 ALA 0.246 0.163 18 0 "[ . 1 . 2]" 1 125 LEU 0.344 0.121 10 0 "[ . 1 . 2]" 1 126 CYS 0.517 0.108 10 0 "[ . 1 . 2]" 1 127 THR 1.046 0.156 4 0 "[ . 1 . 2]" 1 128 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 129 VAL 1.438 0.163 18 0 "[ . 1 . 2]" 1 130 PRO 9.355 0.630 15 7 "[ *-* ***1 + 2]" 1 131 GLU 12.311 1.406 12 9 "[* * . * 1 +* .**- *]" 1 132 LEU 22.684 1.406 12 14 "[* *-* ***1 +* **** *]" 1 133 ILE 1.792 0.231 14 0 "[ . 1 . 2]" 1 134 ARG 3.788 0.507 12 1 "[ . 1 + . 2]" 1 135 THR 3.889 0.507 12 1 "[ . 1 + . 2]" 1 136 ILE 0.693 0.211 15 0 "[ . 1 . 2]" 1 137 MET 0.142 0.066 14 0 "[ . 1 . 2]" 1 138 GLY 0.002 0.002 8 0 "[ . 1 . 2]" 1 139 TRP 0.021 0.018 10 0 "[ . 1 . 2]" 1 140 THR 0.307 0.106 6 0 "[ . 1 . 2]" 1 141 LEU 1.412 0.106 6 0 "[ . 1 . 2]" 1 142 ASP 0.242 0.185 8 0 "[ . 1 . 2]" 1 143 PHE 0.135 0.077 17 0 "[ . 1 . 2]" 1 144 LEU 0.712 0.116 1 0 "[ . 1 . 2]" 1 145 ARG 1.623 0.877 12 1 "[ . 1 + . 2]" 1 146 GLU 1.582 0.877 12 1 "[ . 1 + . 2]" 1 147 ARG 0.140 0.066 8 0 "[ . 1 . 2]" 1 148 LEU 15.460 1.612 9 10 "[ ** .* *+* *** *2]" 1 149 LEU 2.093 0.151 2 0 "[ . 1 . 2]" 1 150 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 151 TRP 13.496 1.850 12 8 "[ **.** -1 + *.* 2]" 1 152 ILE 0.044 0.044 3 0 "[ . 1 . 2]" 1 153 GLN 0.628 0.098 10 0 "[ . 1 . 2]" 1 154 ASP 3.372 0.781 6 3 "[- .+* 1 . 2]" 1 155 GLN 3.300 0.781 6 3 "[- .+* 1 . 2]" 1 156 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 157 GLY 0.019 0.019 10 0 "[ . 1 . 2]" 1 158 TRP 0.321 0.079 18 0 "[ . 1 . 2]" 1 159 ASP 0.459 0.119 10 0 "[ . 1 . 2]" 1 160 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 161 LEU 0.004 0.002 1 0 "[ . 1 . 2]" 1 162 LEU 1.717 0.212 11 0 "[ . 1 . 2]" 1 163 SER 0.325 0.066 19 0 "[ . 1 . 2]" 1 164 TYR 0.053 0.024 16 0 "[ . 1 . 2]" 1 165 PHE 0.073 0.024 16 0 "[ . 1 . 2]" 1 166 GLY 0.325 0.066 19 0 "[ . 1 . 2]" 1 170 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 171 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 172 THR 5.846 1.487 20 3 "[* -. 1 . +]" 1 173 VAL 0.046 0.021 12 0 "[ . 1 . 2]" 1 174 THR 0.274 0.080 20 0 "[ . 1 . 2]" 1 175 ILE 6.713 1.487 20 3 "[* -. 1 . +]" 1 176 PHE 0.958 0.455 20 0 "[ . 1 . 2]" 1 177 VAL 0.445 0.068 9 0 "[ . 1 . 2]" 1 178 ALA 0.166 0.084 19 0 "[ . 1 . 2]" 1 179 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 180 VAL 0.092 0.092 12 0 "[ . 1 . 2]" 1 181 LEU 1.245 0.170 18 0 "[ . 1 . 2]" 1 182 THR 7.743 1.752 19 6 "[ **-. * 1 *. +2]" 1 183 ALA 0.063 0.032 7 0 "[ . 1 . 2]" 1 184 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 185 LEU 23.431 2.082 20 16 "[ ** .***-********* +]" 1 186 THR 0.714 0.093 13 0 "[ . 1 . 2]" 1 187 ILE 71.707 3.768 17 15 "[******* ** * **+*-2]" 1 188 TRP 73.630 3.768 17 20 [****************+*-*] 1 189 LYS 1.378 0.197 9 0 "[ . 1 . 2]" 1 190 LYS 0.454 0.073 17 0 "[ . 1 . 2]" 1 191 MET 0.454 0.073 17 0 "[ . 1 . 2]" 1 192 GLY 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 5 GLY H 1 7 GLN QB 4.600 . 6.300 7.188 4.614 9.298 2.998 5 12 "[* * +** *****. - *]" 2 2 1 6 GLU HA 1 7 GLN H 2.900 . 3.900 2.849 2.190 3.590 . 0 0 "[ . 1 . 2]" 2 3 1 6 GLU H 1 6 GLU QB 3.200 . 4.200 2.869 2.289 3.383 . 0 0 "[ . 1 . 2]" 2 4 1 6 GLU QB 1 7 GLN H 4.000 . 5.400 3.166 1.785 4.019 . 0 0 "[ . 1 . 2]" 2 5 1 6 GLU H 1 6 GLU QG 3.700 . 5.000 3.623 1.717 4.382 . 0 0 "[ . 1 . 2]" 2 6 1 7 GLN H 1 7 GLN QB 3.200 . 4.300 2.801 2.235 3.333 . 0 0 "[ . 1 . 2]" 2 7 1 7 GLN H 1 7 GLN QG 3.800 . 5.100 3.129 1.656 4.408 . 0 0 "[ . 1 . 2]" 2 8 1 7 GLN H 1 8 PRO QD 4.400 . 5.900 2.979 1.491 4.411 . 0 0 "[ . 1 . 2]" 2 9 1 8 PRO HA 1 9 ARG H 2.800 . 3.800 2.746 2.207 3.589 . 0 0 "[ . 1 . 2]" 2 10 1 8 PRO QB 1 9 ARG H 3.700 . 5.000 3.161 2.136 4.015 . 0 0 "[ . 1 . 2]" 2 11 1 9 ARG HA 1 10 GLY H 3.700 . 5.000 2.667 2.197 3.569 . 0 0 "[ . 1 . 2]" 2 12 1 9 ARG H 1 9 ARG QB 3.100 . 4.200 2.739 2.263 3.378 . 0 0 "[ . 1 . 2]" 2 13 1 9 ARG H 1 9 ARG QG 3.300 . 4.400 2.958 1.737 4.452 0.052 9 0 "[ . 1 . 2]" 2 14 1 11 GLY QA 1 12 GLY H 3.200 . 4.300 2.351 2.147 2.893 . 0 0 "[ . 1 . 2]" 2 15 1 12 GLY H 1 13 PRO QD 4.000 . 5.400 3.123 1.659 4.285 . 0 0 "[ . 1 . 2]" 2 16 1 13 PRO HA 1 14 THR H 3.300 . 4.400 2.947 2.249 3.561 . 0 0 "[ . 1 . 2]" 2 17 1 13 PRO HA 1 15 SER H 4.400 2.900 5.900 4.701 3.328 6.942 1.042 14 2 "[ - 1 +. 2]" 2 18 1 13 PRO QB 1 14 THR H 4.200 . 5.000 3.000 2.102 3.950 . 0 0 "[ . 1 . 2]" 2 19 1 14 THR HA 1 15 SER H 3.500 . 4.800 2.596 2.003 3.229 . 0 0 "[ . 1 . 2]" 2 20 1 14 THR H 1 14 THR HB 3.900 . 5.300 3.494 2.337 4.090 . 0 0 "[ . 1 . 2]" 2 21 1 14 THR HB 1 15 SER H 4.300 . 5.800 4.220 3.210 4.741 . 0 0 "[ . 1 . 2]" 2 22 1 14 THR H 1 14 THR MG 3.200 . 4.300 2.531 1.651 3.346 . 0 0 "[ . 1 . 2]" 2 23 1 15 SER HA 1 16 SER H 3.600 . 4.900 2.193 2.162 2.231 . 0 0 "[ . 1 . 2]" 2 24 1 15 SER HA 1 17 GLU H 4.100 2.700 5.500 3.896 3.611 4.264 . 0 0 "[ . 1 . 2]" 2 25 1 15 SER HA 1 18 GLN H 4.400 2.900 5.900 4.551 4.316 4.927 . 0 0 "[ . 1 . 2]" 2 26 1 15 SER QB 1 16 SER H 4.400 . 5.900 3.327 3.042 3.642 . 0 0 "[ . 1 . 2]" 2 27 1 15 SER QB 1 17 GLU H 3.700 . 5.000 3.133 2.685 3.655 . 0 0 "[ . 1 . 2]" 2 28 1 15 SER QB 1 18 GLN H 4.300 . 5.400 3.325 2.253 4.177 . 0 0 "[ . 1 . 2]" 2 29 1 16 SER HA 1 17 GLU H 3.900 . 5.300 3.528 3.342 3.593 . 0 0 "[ . 1 . 2]" 2 30 1 16 SER HA 1 19 ILE H 4.200 2.800 5.600 3.386 3.093 3.647 . 0 0 "[ . 1 . 2]" 2 31 1 16 SER H 1 16 SER QB 3.600 . 4.900 2.401 2.064 2.560 . 0 0 "[ . 1 . 2]" 2 32 1 16 SER QB 1 17 GLU H 3.400 . 4.500 2.978 2.412 3.877 . 0 0 "[ . 1 . 2]" 2 33 1 17 GLU HA 1 18 GLN H 3.600 . 4.900 3.527 3.500 3.578 . 0 0 "[ . 1 . 2]" 2 34 1 17 GLU HA 1 20 MET H 3.900 2.500 5.300 3.382 2.979 4.015 . 0 0 "[ . 1 . 2]" 2 35 1 17 GLU H 1 17 GLU QB 3.000 . 4.100 2.302 2.205 2.548 . 0 0 "[ . 1 . 2]" 2 36 1 17 GLU QB 1 18 GLN H 3.300 . 4.400 2.848 2.330 3.631 . 0 0 "[ . 1 . 2]" 2 37 1 17 GLU H 1 17 GLU QG 3.100 . 4.200 3.698 1.918 4.100 . 0 0 "[ . 1 . 2]" 2 38 1 18 GLN HA 1 19 ILE H 3.900 . 5.300 3.529 3.491 3.561 . 0 0 "[ . 1 . 2]" 2 39 1 18 GLN HA 1 21 LYS H 3.400 2.100 4.700 3.470 3.175 3.873 . 0 0 "[ . 1 . 2]" 2 40 1 18 GLN H 1 18 GLN QB 3.100 . 4.200 2.266 2.080 2.741 . 0 0 "[ . 1 . 2]" 2 41 1 18 GLN QB 1 19 ILE H 3.600 . 4.900 2.805 2.572 3.327 . 0 0 "[ . 1 . 2]" 2 42 1 18 GLN QE 1 21 LYS QB 4.500 . 5.600 4.704 2.484 6.932 1.332 1 6 "[+ - . 1* *. **]" 2 43 1 18 GLN QE 1 21 LYS QD 4.000 . 5.000 4.671 2.319 7.003 2.003 1 6 "[+ . 1 **.* *-]" 2 44 1 18 GLN H 1 18 GLN QG 3.200 . 4.300 3.132 1.730 4.099 . 0 0 "[ . 1 . 2]" 2 45 1 18 GLN QG 1 22 THR H 4.400 . 5.500 5.256 3.885 5.598 0.098 8 0 "[ . 1 . 2]" 2 46 1 19 ILE HA 1 20 MET H 4.500 . 6.000 3.531 3.479 3.599 . 0 0 "[ . 1 . 2]" 2 47 1 19 ILE HA 1 22 THR H 4.200 2.700 5.700 3.534 3.071 3.956 . 0 0 "[ . 1 . 2]" 2 48 1 19 ILE HA 1 23 GLY H 4.300 2.800 5.800 3.767 3.308 4.212 . 0 0 "[ . 1 . 2]" 2 49 1 19 ILE H 1 19 ILE HB 3.200 . 4.300 2.471 2.265 2.656 . 0 0 "[ . 1 . 2]" 2 50 1 19 ILE HB 1 20 MET H 3.700 . 5.000 2.658 2.198 2.943 . 0 0 "[ . 1 . 2]" 2 51 1 19 ILE MD 1 152 ILE H 4.600 . 5.800 4.815 4.111 5.438 . 0 0 "[ . 1 . 2]" 2 52 1 19 ILE MD 1 153 GLN H 3.600 . 4.500 3.571 2.729 4.279 . 0 0 "[ . 1 . 2]" 2 53 1 19 ILE H 1 19 ILE MD 3.500 . 4.800 3.473 3.358 3.616 . 0 0 "[ . 1 . 2]" 2 54 1 19 ILE H 1 19 ILE QG 3.500 . 4.800 2.208 1.861 2.687 . 0 0 "[ . 1 . 2]" 2 55 1 19 ILE H 1 19 ILE MG 3.500 . 4.800 3.765 3.696 3.785 . 0 0 "[ . 1 . 2]" 2 56 1 20 MET HA 1 21 LYS H 3.800 . 5.100 3.539 3.438 3.586 . 0 0 "[ . 1 . 2]" 2 57 1 20 MET HA 1 23 GLY H 4.200 2.700 5.700 3.787 3.192 4.192 . 0 0 "[ . 1 . 2]" 2 58 1 20 MET HA 1 24 ALA H 3.900 2.500 5.300 4.052 3.709 4.438 . 0 0 "[ . 1 . 2]" 2 59 1 20 MET H 1 20 MET QB 3.600 . 4.900 2.222 2.025 2.592 . 0 0 "[ . 1 . 2]" 2 60 1 20 MET QB 1 21 LYS H 3.800 . 5.100 2.657 2.154 3.446 . 0 0 "[ . 1 . 2]" 2 61 1 20 MET H 1 20 MET ME 3.900 . 5.300 4.578 3.998 5.224 . 0 0 "[ . 1 . 2]" 2 62 1 20 MET H 1 20 MET QG 3.700 . 4.900 3.209 2.144 4.063 . 0 0 "[ . 1 . 2]" 2 63 1 20 MET H 1 149 LEU QD 3.700 . 5.000 3.827 3.024 4.611 . 0 0 "[ . 1 . 2]" 2 64 1 20 MET H 1 21 LYS QB 4.200 . 5.600 4.607 4.354 4.912 . 0 0 "[ . 1 . 2]" 2 65 1 21 LYS HA 1 22 THR H 3.600 . 4.900 3.607 3.550 3.631 . 0 0 "[ . 1 . 2]" 2 66 1 21 LYS HA 1 24 ALA H 3.500 2.200 4.800 3.722 3.279 4.301 . 0 0 "[ . 1 . 2]" 2 67 1 21 LYS H 1 21 LYS QB 2.900 . 3.900 2.330 2.196 2.515 . 0 0 "[ . 1 . 2]" 2 68 1 21 LYS QB 1 22 THR H 3.100 . 4.200 2.449 2.242 2.760 . 0 0 "[ . 1 . 2]" 2 69 1 21 LYS QB 1 23 GLY H 4.500 . 6.000 4.622 4.377 4.951 . 0 0 "[ . 1 . 2]" 2 70 1 21 LYS H 1 21 LYS QD 3.600 . 4.900 4.064 1.997 4.839 . 0 0 "[ . 1 . 2]" 2 71 1 21 LYS H 1 21 LYS QE 4.400 . 5.900 4.189 3.012 4.838 . 0 0 "[ . 1 . 2]" 2 72 1 21 LYS H 1 21 LYS QG 3.400 . 4.500 2.885 2.093 3.994 . 0 0 "[ . 1 . 2]" 2 73 1 21 LYS H 1 22 THR HA 4.500 . 6.000 5.355 5.196 5.516 . 0 0 "[ . 1 . 2]" 2 74 1 21 LYS H 1 22 THR HB 4.300 . 5.800 5.018 4.752 5.485 . 0 0 "[ . 1 . 2]" 2 75 1 22 THR HA 1 23 GLY H 4.100 . 5.500 3.553 3.516 3.577 . 0 0 "[ . 1 . 2]" 2 76 1 22 THR HA 1 24 ALA H 4.300 2.800 5.800 4.697 4.242 5.162 . 0 0 "[ . 1 . 2]" 2 77 1 22 THR HA 1 25 LEU H 3.500 2.200 4.800 3.477 3.202 3.605 . 0 0 "[ . 1 . 2]" 2 78 1 22 THR HA 1 26 LEU H 4.200 2.800 5.600 4.005 3.005 4.576 . 0 0 "[ . 1 . 2]" 2 79 1 22 THR H 1 22 THR HB 3.100 . 4.200 2.619 2.437 2.941 . 0 0 "[ . 1 . 2]" 2 80 1 22 THR HB 1 23 GLY H 3.600 . 4.900 2.552 2.359 2.727 . 0 0 "[ . 1 . 2]" 2 81 1 22 THR H 1 22 THR MG 3.400 . 4.500 3.735 3.640 3.770 . 0 0 "[ . 1 . 2]" 2 82 1 22 THR MG 1 26 LEU H 4.000 . 5.000 3.724 3.091 4.063 . 0 0 "[ . 1 . 2]" 2 83 1 22 THR H 1 158 TRP HD1 4.400 2.900 5.900 5.169 4.615 5.706 . 0 0 "[ . 1 . 2]" 2 84 1 22 THR H 1 158 TRP HZ2 4.800 3.100 6.500 5.719 4.540 6.496 . 0 0 "[ . 1 . 2]" 2 85 1 22 THR H 1 24 ALA MB 4.400 . 5.900 5.119 4.749 5.394 . 0 0 "[ . 1 . 2]" 2 86 1 23 GLY QA 1 24 ALA H 3.500 . 4.800 2.683 2.490 2.854 . 0 0 "[ . 1 . 2]" 2 87 1 23 GLY H 1 144 LEU QD 3.900 . 4.900 4.436 3.890 4.947 0.047 5 0 "[ . 1 . 2]" 2 88 1 23 GLY H 1 158 TRP HZ2 4.200 2.700 5.700 3.492 2.709 4.354 . 0 0 "[ . 1 . 2]" 2 89 1 24 ALA HA 1 25 LEU H 3.900 . 5.300 3.482 3.438 3.520 . 0 0 "[ . 1 . 2]" 2 90 1 24 ALA HA 1 27 LEU H 3.800 2.500 5.100 4.114 3.936 4.372 . 0 0 "[ . 1 . 2]" 2 91 1 24 ALA HA 1 28 GLN H 4.600 3.100 6.100 4.177 3.757 4.499 . 0 0 "[ . 1 . 2]" 2 92 1 24 ALA H 1 24 ALA MB 2.800 . 3.800 2.230 2.211 2.263 . 0 0 "[ . 1 . 2]" 2 93 1 24 ALA MB 1 25 LEU H 3.000 . 4.000 2.835 2.696 3.011 . 0 0 "[ . 1 . 2]" 2 94 1 24 ALA MB 1 26 LEU H 4.300 . 5.800 4.886 4.746 5.132 . 0 0 "[ . 1 . 2]" 2 95 1 24 ALA H 1 141 LEU QD 3.500 . 4.200 3.022 2.671 3.648 . 0 0 "[ . 1 . 2]" 2 96 1 24 ALA H 1 141 LEU HG 4.300 2.800 5.800 5.704 5.022 5.885 0.085 4 0 "[ . 1 . 2]" 2 97 1 24 ALA H 1 25 LEU QB 4.100 . 5.500 4.489 4.311 4.791 . 0 0 "[ . 1 . 2]" 2 98 1 25 LEU HA 1 26 LEU H 4.100 . 5.500 3.578 3.553 3.603 . 0 0 "[ . 1 . 2]" 2 99 1 25 LEU HA 1 28 GLN H 4.000 2.600 5.400 3.603 3.358 3.967 . 0 0 "[ . 1 . 2]" 2 100 1 25 LEU HA 1 29 GLY H 4.200 2.700 5.700 3.948 3.512 4.370 . 0 0 "[ . 1 . 2]" 2 101 1 25 LEU H 1 25 LEU QB 3.100 . 4.200 2.230 2.116 2.588 . 0 0 "[ . 1 . 2]" 2 102 1 25 LEU QB 1 26 LEU H 3.500 . 4.800 2.479 2.201 2.737 . 0 0 "[ . 1 . 2]" 2 103 1 25 LEU H 1 25 LEU QD 3.300 . 4.400 2.966 2.357 3.816 . 0 0 "[ . 1 . 2]" 2 104 1 26 LEU HA 1 27 LEU H 4.100 . 5.500 3.592 3.572 3.606 . 0 0 "[ . 1 . 2]" 2 105 1 26 LEU HA 1 29 GLY H 4.500 3.000 6.000 3.634 3.451 3.867 . 0 0 "[ . 1 . 2]" 2 106 1 26 LEU QB 1 27 LEU H 3.600 . 4.900 2.362 2.102 2.498 . 0 0 "[ . 1 . 2]" 2 107 1 26 LEU H 1 26 LEU QB 3.500 . 4.800 2.458 2.098 2.768 . 0 0 "[ . 1 . 2]" 2 108 1 26 LEU H 1 26 LEU QD 3.700 . 4.500 2.700 2.005 3.273 . 0 0 "[ . 1 . 2]" 2 109 1 26 LEU H 1 26 LEU HG 3.300 . 4.400 2.594 1.754 4.444 0.044 3 0 "[ . 1 . 2]" 2 110 1 27 LEU HA 1 28 GLN H 4.500 . 6.000 3.586 3.562 3.610 . 0 0 "[ . 1 . 2]" 2 111 1 27 LEU HA 1 30 PHE H 4.000 2.600 5.400 3.510 3.224 3.907 . 0 0 "[ . 1 . 2]" 2 112 1 27 LEU H 1 27 LEU QB 3.300 . 4.300 2.527 2.254 3.030 . 0 0 "[ . 1 . 2]" 2 113 1 27 LEU QB 1 28 GLN H 3.900 . 5.300 2.425 2.274 2.762 . 0 0 "[ . 1 . 2]" 2 114 1 27 LEU QD 1 140 THR H 4.100 . 5.100 4.907 4.441 5.120 0.020 4 0 "[ . 1 . 2]" 2 115 1 27 LEU QD 1 141 LEU H 4.400 . 5.500 4.356 4.034 5.000 . 0 0 "[ . 1 . 2]" 2 116 1 27 LEU H 1 27 LEU QD 3.700 . 5.000 3.101 1.828 3.777 . 0 0 "[ . 1 . 2]" 2 117 1 27 LEU H 1 27 LEU HG 4.500 . 6.000 3.153 1.693 4.503 . 0 0 "[ . 1 . 2]" 2 118 1 27 LEU H 1 141 LEU QD 4.100 . 5.100 5.061 4.668 5.188 0.088 11 0 "[ . 1 . 2]" 2 119 1 28 GLN HA 1 29 GLY H 4.200 . 5.600 3.535 3.452 3.578 . 0 0 "[ . 1 . 2]" 2 120 1 28 GLN HA 1 31 ILE H 4.000 2.600 5.400 3.899 3.649 4.252 . 0 0 "[ . 1 . 2]" 2 121 1 28 GLN H 1 28 GLN QB 3.300 . 4.400 2.290 2.175 2.491 . 0 0 "[ . 1 . 2]" 2 122 1 28 GLN QB 1 29 GLY H 3.500 . 4.800 2.672 2.466 3.529 . 0 0 "[ . 1 . 2]" 2 123 1 28 GLN H 1 28 GLN QG 3.300 . 4.400 3.557 2.035 4.089 . 0 0 "[ . 1 . 2]" 2 124 1 28 GLN QG 1 30 PHE H 4.600 . 6.300 5.712 4.737 5.899 . 0 0 "[ . 1 . 2]" 2 125 1 28 GLN H 1 137 MET ME 3.800 . 4.700 3.906 2.872 4.591 . 0 0 "[ . 1 . 2]" 2 126 1 29 GLY QA 1 30 PHE H 3.700 . 5.000 2.605 2.478 2.742 . 0 0 "[ . 1 . 2]" 2 127 1 29 GLY QA 1 32 GLN H 4.500 . 5.600 3.524 3.293 3.849 . 0 0 "[ . 1 . 2]" 2 128 1 30 PHE HA 1 31 ILE H 4.700 . 6.400 3.519 3.407 3.585 . 0 0 "[ . 1 . 2]" 2 129 1 30 PHE HA 1 33 ASP H 3.900 2.500 5.300 3.753 3.428 4.028 . 0 0 "[ . 1 . 2]" 2 130 1 30 PHE H 1 30 PHE QB 3.300 . 4.400 2.270 2.209 2.297 . 0 0 "[ . 1 . 2]" 2 131 1 30 PHE QB 1 31 ILE H 4.200 . 5.300 2.948 2.715 3.187 . 0 0 "[ . 1 . 2]" 2 132 1 30 PHE H 1 30 PHE QD 4.500 . 6.000 4.209 4.095 4.239 . 0 0 "[ . 1 . 2]" 2 133 1 30 PHE H 1 31 ILE HB 4.200 . 5.700 4.910 4.728 5.148 . 0 0 "[ . 1 . 2]" 2 134 1 30 PHE H 1 31 ILE MD 4.700 . 6.400 5.196 4.903 5.464 . 0 0 "[ . 1 . 2]" 2 135 1 31 ILE HA 1 32 GLN H 4.100 . 5.500 3.587 3.573 3.604 . 0 0 "[ . 1 . 2]" 2 136 1 31 ILE HA 1 34 ARG H 4.500 3.000 6.000 3.509 3.196 4.107 . 0 0 "[ . 1 . 2]" 2 137 1 31 ILE H 1 31 ILE HB 3.300 . 4.400 2.381 2.278 2.476 . 0 0 "[ . 1 . 2]" 2 138 1 31 ILE HB 1 32 GLN H 3.400 . 4.700 2.363 2.186 2.512 . 0 0 "[ . 1 . 2]" 2 139 1 31 ILE MD 1 118 SER H 4.600 . 5.800 5.615 4.930 5.857 0.057 4 0 "[ . 1 . 2]" 2 140 1 31 ILE H 1 31 ILE MD 3.500 . 4.800 3.510 3.354 3.669 . 0 0 "[ . 1 . 2]" 2 141 1 31 ILE H 1 31 ILE QG 3.500 . 4.800 2.473 2.207 2.834 . 0 0 "[ . 1 . 2]" 2 142 1 31 ILE H 1 31 ILE MG 3.500 . 4.800 3.740 3.685 3.773 . 0 0 "[ . 1 . 2]" 2 143 1 31 ILE MG 1 33 ASP H 4.400 . 5.900 4.743 4.447 5.095 . 0 0 "[ . 1 . 2]" 2 144 1 31 ILE MG 1 35 ALA H 4.000 . 5.000 4.031 3.530 4.317 . 0 0 "[ . 1 . 2]" 2 145 1 31 ILE H 1 122 LEU QD 4.600 . 5.800 5.494 4.954 5.808 0.008 2 0 "[ . 1 . 2]" 2 146 1 32 GLN HA 1 33 ASP H 3.800 . 5.100 3.551 3.481 3.614 . 0 0 "[ . 1 . 2]" 2 147 1 32 GLN HA 1 35 ALA H 4.000 2.600 5.400 3.481 3.152 4.067 . 0 0 "[ . 1 . 2]" 2 148 1 32 GLN H 1 32 GLN QB 3.200 . 4.300 2.281 2.167 2.463 . 0 0 "[ . 1 . 2]" 2 149 1 32 GLN QB 1 33 ASP H 3.600 . 4.800 2.659 2.342 3.046 . 0 0 "[ . 1 . 2]" 2 150 1 32 GLN H 1 32 GLN QG 3.300 . 4.400 3.550 2.093 4.058 . 0 0 "[ . 1 . 2]" 2 151 1 33 ASP HA 1 34 ARG H 4.000 . 5.400 3.558 3.536 3.594 . 0 0 "[ . 1 . 2]" 2 152 1 33 ASP H 1 33 ASP QB 3.200 . 4.300 2.385 2.212 2.529 . 0 0 "[ . 1 . 2]" 2 153 1 34 ARG HA 1 35 ALA H 4.100 . 5.500 3.487 3.368 3.661 . 0 0 "[ . 1 . 2]" 2 154 1 34 ARG H 1 34 ARG QB 3.400 . 4.700 2.277 2.094 2.463 . 0 0 "[ . 1 . 2]" 2 155 1 34 ARG H 1 34 ARG QD 4.300 . 5.800 4.367 4.050 4.814 . 0 0 "[ . 1 . 2]" 2 156 1 34 ARG H 1 34 ARG QG 3.700 . 5.000 3.177 2.477 4.087 . 0 0 "[ . 1 . 2]" 2 157 1 34 ARG H 1 122 LEU QD 4.400 . 5.500 4.368 3.743 5.137 . 0 0 "[ . 1 . 2]" 2 158 1 34 ARG H 1 35 ALA MB 3.600 . 4.900 4.286 4.062 4.579 . 0 0 "[ . 1 . 2]" 2 159 1 35 ALA HA 1 36 GLY H 3.600 . 4.900 3.452 3.266 3.586 . 0 0 "[ . 1 . 2]" 2 160 1 35 ALA H 1 35 ALA MB 2.900 . 3.900 2.293 2.182 2.378 . 0 0 "[ . 1 . 2]" 2 161 1 35 ALA MB 1 36 GLY H 3.000 . 4.100 2.725 2.318 3.284 . 0 0 "[ . 1 . 2]" 2 162 1 35 ALA H 1 122 LEU QD 3.500 . 4.400 3.658 2.588 4.307 . 0 0 "[ . 1 . 2]" 2 163 1 36 GLY QA 1 37 ARG H 3.800 . 5.200 2.335 2.075 2.937 . 0 0 "[ . 1 . 2]" 2 164 1 37 ARG HA 1 38 MET H 3.400 . 4.500 3.248 2.163 3.592 . 0 0 "[ . 1 . 2]" 2 165 1 37 ARG QB 1 38 MET H 3.700 . 4.900 2.396 1.684 4.033 . 0 0 "[ . 1 . 2]" 2 166 1 37 ARG H 1 37 ARG QD 4.500 . 6.000 4.370 3.375 5.581 . 0 0 "[ . 1 . 2]" 2 167 1 37 ARG H 1 37 ARG QG 3.500 . 4.800 3.097 1.849 4.317 . 0 0 "[ . 1 . 2]" 2 168 1 38 MET HA 1 39 GLY H 3.100 . 4.200 2.846 2.234 3.589 . 0 0 "[ . 1 . 2]" 2 169 1 38 MET H 1 38 MET QB 3.000 . 4.100 2.912 2.447 3.391 . 0 0 "[ . 1 . 2]" 2 170 1 38 MET QB 1 39 GLY H 3.500 . 4.800 3.139 1.737 4.025 . 0 0 "[ . 1 . 2]" 2 171 1 38 MET H 1 38 MET ME 4.600 . 6.100 3.689 2.068 5.458 . 0 0 "[ . 1 . 2]" 2 172 1 38 MET H 1 38 MET QG 3.200 . 4.300 2.618 1.809 4.138 . 0 0 "[ . 1 . 2]" 2 173 1 40 GLY QA 1 41 GLU H 3.100 . 4.000 2.473 2.154 2.966 . 0 0 "[ . 1 . 2]" 2 174 1 40 GLY H 1 41 GLU QB 4.500 . 6.000 5.091 3.811 6.057 0.057 10 0 "[ . 1 . 2]" 2 175 1 41 GLU H 1 41 GLU QB 3.000 . 3.900 2.739 2.251 3.424 . 0 0 "[ . 1 . 2]" 2 176 1 41 GLU QB 1 42 ALA H 3.300 . 4.400 3.108 1.746 3.988 . 0 0 "[ . 1 . 2]" 2 177 1 41 GLU H 1 41 GLU QG 3.000 . 4.100 3.249 2.001 4.239 0.139 1 0 "[ . 1 . 2]" 2 178 1 41 GLU H 1 42 ALA HA 4.600 . 6.300 5.201 4.463 5.886 . 0 0 "[ . 1 . 2]" 2 179 1 41 GLU H 1 42 ALA MB 3.600 . 4.900 4.583 3.365 5.088 0.188 6 0 "[ . 1 . 2]" 2 180 1 42 ALA H 1 42 ALA MB 2.700 . 3.700 2.720 2.121 2.999 . 0 0 "[ . 1 . 2]" 2 181 1 42 ALA H 1 43 PRO QD 4.100 . 5.300 2.423 1.521 4.257 . 0 0 "[ . 1 . 2]" 2 182 1 42 ALA H 1 43 PRO QG 4.500 . 6.000 4.319 3.531 6.003 0.003 16 0 "[ . 1 . 2]" 2 183 1 43 PRO HA 1 44 GLU H 2.800 . 3.800 3.071 2.155 3.599 . 0 0 "[ . 1 . 2]" 2 184 1 43 PRO HA 1 45 LEU H 4.100 2.700 5.500 5.586 3.852 6.780 1.280 17 6 "[* *. - *. +* 2]" 2 185 1 43 PRO QB 1 44 GLU H 3.400 . 4.400 3.174 1.584 4.045 . 0 0 "[ . 1 . 2]" 2 186 1 44 GLU HA 1 45 LEU H 2.800 . 3.800 3.201 2.175 3.634 . 0 0 "[ . 1 . 2]" 2 187 1 44 GLU HA 1 46 ALA H 3.700 2.400 5.000 4.498 3.564 5.144 0.144 16 0 "[ . 1 . 2]" 2 188 1 44 GLU QB 1 45 LEU H 3.500 . 4.800 2.491 1.571 3.967 . 0 0 "[ . 1 . 2]" 2 189 1 44 GLU H 1 44 GLU QB 3.000 . 4.000 2.636 2.237 3.178 . 0 0 "[ . 1 . 2]" 2 190 1 44 GLU H 1 44 GLU QG 3.100 . 4.200 3.474 1.718 4.281 0.081 2 0 "[ . 1 . 2]" 2 191 1 44 GLU QG 1 46 ALA H 3.900 . 5.300 4.619 3.116 5.185 . 0 0 "[ . 1 . 2]" 2 192 1 44 GLU H 1 45 LEU HG 4.500 . 6.000 5.115 3.201 6.250 0.250 19 0 "[ . 1 . 2]" 2 193 1 45 LEU HA 1 46 ALA H 2.900 . 3.900 3.034 2.210 3.576 . 0 0 "[ . 1 . 2]" 2 194 1 45 LEU H 1 45 LEU QB 3.200 . 4.300 2.751 2.115 3.487 . 0 0 "[ . 1 . 2]" 2 195 1 45 LEU H 1 45 LEU QD 3.300 . 4.400 2.684 1.551 4.126 . 0 0 "[ . 1 . 2]" 2 196 1 45 LEU H 1 45 LEU HG 3.100 . 4.200 2.809 1.761 4.358 0.158 16 0 "[ . 1 . 2]" 2 197 1 46 ALA HA 1 47 LEU H 2.800 . 3.800 2.817 2.199 3.584 . 0 0 "[ . 1 . 2]" 2 198 1 46 ALA H 1 46 ALA MB 2.800 . 3.800 2.573 2.227 2.992 . 0 0 "[ . 1 . 2]" 2 199 1 46 ALA MB 1 47 LEU H 3.000 . 4.000 2.677 1.710 3.715 . 0 0 "[ . 1 . 2]" 2 200 1 46 ALA MB 1 48 ASP H 4.000 . 5.400 4.754 2.701 6.331 0.931 15 4 "[ . * -1 + *]" 2 201 1 47 LEU H 1 47 LEU QB 2.900 . 3.900 2.952 2.193 3.545 . 0 0 "[ . 1 . 2]" 2 202 1 47 LEU QB 1 48 ASP H 2.900 . 3.900 3.058 1.622 4.019 0.119 1 0 "[ . 1 . 2]" 2 203 1 47 LEU H 1 47 LEU QD 3.400 . 4.500 2.908 1.522 4.056 . 0 0 "[ . 1 . 2]" 2 204 1 47 LEU H 1 47 LEU HG 3.000 . 4.000 3.783 2.155 5.076 1.076 15 8 "[** -. ** 1 * + *]" 2 205 1 48 ASP H 1 48 ASP QB 2.900 . 3.800 2.847 2.188 3.442 . 0 0 "[ . 1 . 2]" 2 206 1 48 ASP H 1 49 PRO QD 3.700 . 5.000 3.145 1.660 4.355 . 0 0 "[ . 1 . 2]" 2 207 1 48 ASP H 1 49 PRO QG 4.600 . 6.100 4.985 3.510 6.202 0.102 16 0 "[ . 1 . 2]" 2 208 1 49 PRO HA 1 50 VAL H 2.600 . 3.600 2.634 2.204 3.539 . 0 0 "[ . 1 . 2]" 2 209 1 49 PRO QB 1 50 VAL H 3.200 . 4.300 3.007 1.960 4.050 . 0 0 "[ . 1 . 2]" 2 210 1 50 VAL H 1 50 VAL HB 2.800 . 3.800 3.487 2.456 3.859 0.059 8 0 "[ . 1 . 2]" 2 211 1 50 VAL HB 1 52 GLN H 4.600 3.100 6.100 5.723 3.905 7.128 1.028 20 5 "[ . * *1 * - +]" 2 212 1 50 VAL H 1 50 VAL QG 3.100 . 3.800 2.192 1.705 2.779 . 0 0 "[ . 1 . 2]" 2 213 1 50 VAL H 1 51 PRO QD 3.700 . 5.000 3.621 1.396 4.435 . 0 0 "[ . 1 . 2]" 2 214 1 51 PRO HA 1 52 GLN H 2.700 . 3.700 2.729 2.176 3.591 . 0 0 "[ . 1 . 2]" 2 215 1 51 PRO QB 1 52 GLN H 3.300 . 4.400 2.730 1.705 4.000 . 0 0 "[ . 1 . 2]" 2 216 1 52 GLN HA 1 53 ASP H 2.800 . 3.800 2.449 2.172 3.603 . 0 0 "[ . 1 . 2]" 2 217 1 52 GLN H 1 52 GLN QB 3.300 . 4.100 2.906 2.420 3.514 . 0 0 "[ . 1 . 2]" 2 218 1 52 GLN QB 1 53 ASP H 3.200 . 4.300 3.387 1.764 3.993 . 0 0 "[ . 1 . 2]" 2 219 1 52 GLN H 1 52 GLN QG 3.400 . 4.400 3.201 1.861 4.387 . 0 0 "[ . 1 . 2]" 2 220 1 53 ASP HA 1 54 ALA H 4.200 . 5.600 2.573 2.156 3.489 . 0 0 "[ . 1 . 2]" 2 221 1 53 ASP H 1 53 ASP QB 3.300 . 4.400 2.773 2.257 3.563 . 0 0 "[ . 1 . 2]" 2 222 1 53 ASP QB 1 54 ALA H 4.700 . 6.400 3.291 2.357 3.963 . 0 0 "[ . 1 . 2]" 2 223 1 54 ALA HA 1 55 SER H 4.300 . 5.800 3.490 3.247 3.556 . 0 0 "[ . 1 . 2]" 2 224 1 54 ALA HA 1 57 LYS H 3.900 2.500 5.300 3.328 2.611 3.655 . 0 0 "[ . 1 . 2]" 2 225 1 54 ALA MB 1 55 SER H 3.400 . 4.500 2.784 2.535 3.334 . 0 0 "[ . 1 . 2]" 2 226 1 54 ALA MB 1 57 LYS H 4.100 . 5.100 4.454 3.811 4.702 . 0 0 "[ . 1 . 2]" 2 227 1 55 SER HA 1 56 THR H 4.000 . 5.400 3.566 3.551 3.594 . 0 0 "[ . 1 . 2]" 2 228 1 55 SER H 1 55 SER QB 3.400 . 4.700 2.441 2.221 2.859 . 0 0 "[ . 1 . 2]" 2 229 1 55 SER QB 1 56 THR H 3.600 . 4.900 2.463 2.178 3.164 . 0 0 "[ . 1 . 2]" 2 230 1 56 THR HA 1 57 LYS H 3.600 . 4.900 3.495 3.448 3.552 . 0 0 "[ . 1 . 2]" 2 231 1 56 THR HA 1 59 LEU H 4.000 2.600 5.400 3.392 3.264 3.510 . 0 0 "[ . 1 . 2]" 2 232 1 56 THR HA 1 60 SER H 4.100 2.700 5.500 4.195 3.848 4.545 . 0 0 "[ . 1 . 2]" 2 233 1 56 THR H 1 56 THR HB 3.400 . 4.500 3.111 2.469 3.628 . 0 0 "[ . 1 . 2]" 2 234 1 56 THR HB 1 57 LYS H 3.500 . 4.800 3.390 2.818 3.965 . 0 0 "[ . 1 . 2]" 2 235 1 56 THR H 1 56 THR MG 3.400 . 4.500 3.138 2.391 3.791 . 0 0 "[ . 1 . 2]" 2 236 1 56 THR MG 1 60 SER H 4.300 . 5.400 4.877 3.775 5.515 0.115 16 0 "[ . 1 . 2]" 2 237 1 56 THR H 1 57 LYS HA 4.400 . 5.900 5.118 5.065 5.187 . 0 0 "[ . 1 . 2]" 2 238 1 56 THR H 1 57 LYS QB 3.800 . 5.100 4.341 4.257 4.619 . 0 0 "[ . 1 . 2]" 2 239 1 57 LYS HA 1 58 LYS H 4.500 . 6.000 3.574 3.555 3.603 . 0 0 "[ . 1 . 2]" 2 240 1 57 LYS HA 1 60 SER H 3.500 2.200 4.800 3.605 3.478 3.764 . 0 0 "[ . 1 . 2]" 2 241 1 57 LYS H 1 57 LYS QB 2.800 . 3.800 2.286 2.210 2.510 . 0 0 "[ . 1 . 2]" 2 242 1 57 LYS H 1 57 LYS QD 3.600 . 4.900 4.443 3.732 4.812 . 0 0 "[ . 1 . 2]" 2 243 1 57 LYS H 1 57 LYS QG 3.500 . 4.800 3.753 2.024 4.088 . 0 0 "[ . 1 . 2]" 2 244 1 58 LYS HA 1 61 GLU H 3.500 2.200 4.800 3.140 2.968 3.320 . 0 0 "[ . 1 . 2]" 2 245 1 58 LYS H 1 58 LYS QB 3.100 . 4.200 2.241 2.119 2.314 . 0 0 "[ . 1 . 2]" 2 246 1 58 LYS H 1 58 LYS QD 3.800 . 5.100 4.372 3.885 4.544 . 0 0 "[ . 1 . 2]" 2 247 1 58 LYS H 1 58 LYS QG 3.600 . 4.900 3.854 2.529 4.027 . 0 0 "[ . 1 . 2]" 2 248 1 58 LYS H 1 59 LEU HA 4.800 . 6.500 5.241 5.167 5.357 . 0 0 "[ . 1 . 2]" 2 249 1 58 LYS H 1 59 LEU QD 4.400 . 5.900 4.642 3.500 5.408 . 0 0 "[ . 1 . 2]" 2 250 1 59 LEU HA 1 60 SER H 3.900 . 5.300 3.424 3.372 3.464 . 0 0 "[ . 1 . 2]" 2 251 1 59 LEU H 1 59 LEU QB 3.400 . 4.700 2.198 2.060 2.513 . 0 0 "[ . 1 . 2]" 2 252 1 59 LEU QB 1 60 SER H 3.500 . 4.800 3.056 2.916 3.173 . 0 0 "[ . 1 . 2]" 2 253 1 59 LEU H 1 59 LEU QD 3.600 . 4.500 2.881 1.817 3.656 . 0 0 "[ . 1 . 2]" 2 254 1 59 LEU QD 1 159 ASP H 4.200 . 5.300 5.108 4.476 5.419 0.119 10 0 "[ . 1 . 2]" 2 255 1 59 LEU QD 1 162 LEU H 3.400 . 4.200 3.253 2.843 3.829 . 0 0 "[ . 1 . 2]" 2 256 1 59 LEU QD 1 61 GLU H 4.600 . 6.100 5.148 4.728 5.498 . 0 0 "[ . 1 . 2]" 2 257 1 60 SER HA 1 63 LEU H 4.400 2.900 5.900 3.432 3.226 3.620 . 0 0 "[ . 1 . 2]" 2 258 1 60 SER H 1 60 SER QB 3.200 . 4.300 2.356 2.261 2.641 . 0 0 "[ . 1 . 2]" 2 259 1 60 SER H 1 61 GLU QB 4.400 . 5.800 4.278 4.056 4.752 . 0 0 "[ . 1 . 2]" 2 260 1 60 SER H 1 61 GLU QG 4.700 . 6.400 5.538 3.727 6.147 . 0 0 "[ . 1 . 2]" 2 261 1 61 GLU HA 1 62 CYS H 3.900 . 5.300 3.524 3.477 3.569 . 0 0 "[ . 1 . 2]" 2 262 1 61 GLU H 1 61 GLU QB 3.200 . 4.300 2.319 2.230 2.632 . 0 0 "[ . 1 . 2]" 2 263 1 61 GLU QB 1 62 CYS H 3.400 . 4.700 2.773 2.559 2.979 . 0 0 "[ . 1 . 2]" 2 264 1 61 GLU H 1 61 GLU QG 3.400 . 4.700 3.532 1.925 4.078 . 0 0 "[ . 1 . 2]" 2 265 1 62 CYS HA 1 63 LEU H 4.100 . 5.500 3.575 3.549 3.602 . 0 0 "[ . 1 . 2]" 2 266 1 62 CYS HA 1 64 LYS H 3.800 2.400 5.200 4.117 3.863 4.568 . 0 0 "[ . 1 . 2]" 2 267 1 62 CYS H 1 62 CYS QB 3.300 . 4.400 2.359 2.102 2.519 . 0 0 "[ . 1 . 2]" 2 268 1 62 CYS QB 1 63 LEU H 4.000 . 5.400 2.391 2.210 2.531 . 0 0 "[ . 1 . 2]" 2 269 1 62 CYS H 1 63 LEU QB 4.400 . 5.900 4.557 4.335 4.733 . 0 0 "[ . 1 . 2]" 2 270 1 63 LEU H 1 63 LEU QB 3.400 . 4.500 2.351 2.160 2.523 . 0 0 "[ . 1 . 2]" 2 271 1 63 LEU QB 1 64 LYS H 3.900 . 5.000 2.858 2.559 3.144 . 0 0 "[ . 1 . 2]" 2 272 1 63 LEU H 1 63 LEU QD 3.600 . 4.900 2.726 1.795 3.709 . 0 0 "[ . 1 . 2]" 2 273 1 63 LEU H 1 63 LEU HG 3.300 . 4.400 2.763 1.882 4.440 0.040 1 0 "[ . 1 . 2]" 2 274 1 64 LYS HA 1 65 ARG H 4.400 . 5.900 3.571 3.551 3.583 . 0 0 "[ . 1 . 2]" 2 275 1 64 LYS HA 1 67 GLY H 4.900 3.200 6.600 3.490 3.285 3.913 . 0 0 "[ . 1 . 2]" 2 276 1 64 LYS H 1 64 LYS QB 3.000 . 4.000 2.306 2.172 2.399 . 0 0 "[ . 1 . 2]" 2 277 1 64 LYS QB 1 65 ARG H 3.200 . 4.300 2.481 2.328 2.743 . 0 0 "[ . 1 . 2]" 2 278 1 64 LYS H 1 64 LYS QD 3.900 . 5.300 4.312 3.723 4.762 . 0 0 "[ . 1 . 2]" 2 279 1 64 LYS H 1 64 LYS QE 4.400 . 5.900 5.509 4.284 6.014 0.114 17 0 "[ . 1 . 2]" 2 280 1 64 LYS H 1 64 LYS QG 3.700 . 5.000 3.577 2.371 4.108 . 0 0 "[ . 1 . 2]" 2 281 1 65 ARG HA 1 68 ASP H 4.000 2.600 5.400 3.821 3.450 4.123 . 0 0 "[ . 1 . 2]" 2 282 1 65 ARG H 1 65 ARG QB 3.100 . 4.200 2.296 2.127 2.430 . 0 0 "[ . 1 . 2]" 2 283 1 65 ARG QB 1 66 ILE H 3.600 . 4.900 2.626 2.436 2.754 . 0 0 "[ . 1 . 2]" 2 284 1 65 ARG H 1 65 ARG QG 3.800 . 5.100 2.934 2.156 4.080 . 0 0 "[ . 1 . 2]" 2 285 1 66 ILE HA 1 67 GLY H 4.500 . 6.000 3.522 3.478 3.595 . 0 0 "[ . 1 . 2]" 2 286 1 66 ILE HA 1 69 GLU H 3.800 2.400 5.200 3.319 3.024 3.544 . 0 0 "[ . 1 . 2]" 2 287 1 66 ILE H 1 66 ILE HB 3.800 . 5.200 2.469 2.256 3.679 . 0 0 "[ . 1 . 2]" 2 288 1 66 ILE HB 1 67 GLY H 3.700 . 5.000 2.984 2.424 4.094 . 0 0 "[ . 1 . 2]" 2 289 1 66 ILE H 1 66 ILE QG 4.100 . 5.500 2.638 1.914 3.998 . 0 0 "[ . 1 . 2]" 2 290 1 66 ILE H 1 66 ILE MG 4.000 . 5.400 3.391 1.905 3.742 . 0 0 "[ . 1 . 2]" 2 291 1 66 ILE MG 1 70 LEU H 4.300 . 5.400 3.901 2.968 5.301 . 0 0 "[ . 1 . 2]" 2 292 1 67 GLY QA 1 68 ASP H 4.300 . 5.800 2.743 2.574 2.909 . 0 0 "[ . 1 . 2]" 2 293 1 68 ASP HA 1 69 GLU H 4.000 . 5.400 3.525 3.471 3.584 . 0 0 "[ . 1 . 2]" 2 294 1 68 ASP H 1 68 ASP QB 3.500 . 4.800 2.353 2.236 2.622 . 0 0 "[ . 1 . 2]" 2 295 1 68 ASP QB 1 69 GLU H 3.800 . 5.200 2.911 2.408 3.672 . 0 0 "[ . 1 . 2]" 2 296 1 69 GLU HA 1 72 SER H 4.100 2.700 5.500 3.678 3.213 4.153 . 0 0 "[ . 1 . 2]" 2 297 1 69 GLU H 1 69 GLU QB 3.200 . 4.300 2.312 2.214 2.385 . 0 0 "[ . 1 . 2]" 2 298 1 69 GLU QB 1 70 LEU H 4.000 . 5.300 2.665 2.104 3.206 . 0 0 "[ . 1 . 2]" 2 299 1 69 GLU H 1 69 GLU QG 3.200 . 4.300 3.969 2.442 4.123 . 0 0 "[ . 1 . 2]" 2 300 1 69 GLU H 1 70 LEU QD 4.900 . 6.600 4.802 3.719 5.720 . 0 0 "[ . 1 . 2]" 2 301 1 70 LEU HA 1 71 ASP H 4.300 . 5.800 3.520 3.452 3.577 . 0 0 "[ . 1 . 2]" 2 302 1 70 LEU HA 1 73 ASN H 4.000 2.600 5.400 4.274 3.386 5.431 0.031 14 0 "[ . 1 . 2]" 2 303 1 70 LEU QB 1 71 ASP H 4.100 . 5.500 2.806 2.424 3.319 . 0 0 "[ . 1 . 2]" 2 304 1 70 LEU H 1 70 LEU QD 3.700 . 4.500 3.188 1.782 3.801 . 0 0 "[ . 1 . 2]" 2 305 1 70 LEU QD 1 177 VAL H 4.200 . 5.200 4.808 4.342 5.248 0.048 5 0 "[ . 1 . 2]" 2 306 1 70 LEU H 1 70 LEU HG 3.500 . 4.800 3.798 2.187 4.526 . 0 0 "[ . 1 . 2]" 2 307 1 71 ASP HA 1 72 SER H 3.700 . 5.000 3.357 3.272 3.439 . 0 0 "[ . 1 . 2]" 2 308 1 71 ASP H 1 71 ASP QB 3.500 . 4.800 2.386 2.261 2.701 . 0 0 "[ . 1 . 2]" 2 309 1 71 ASP QB 1 72 SER H 3.900 . 5.300 3.332 3.010 3.850 . 0 0 "[ . 1 . 2]" 2 310 1 72 SER H 1 72 SER QB 3.200 . 4.300 2.433 2.190 2.809 . 0 0 "[ . 1 . 2]" 2 311 1 72 SER QB 1 73 ASN H 4.100 . 5.500 3.427 1.838 4.012 . 0 0 "[ . 1 . 2]" 2 312 1 72 SER H 1 73 ASN QB 4.700 . 6.400 4.594 3.856 5.219 . 0 0 "[ . 1 . 2]" 2 313 1 73 ASN HA 1 74 MET H 3.000 . 4.000 2.322 2.149 3.642 . 0 0 "[ . 1 . 2]" 2 314 1 73 ASN HA 1 75 GLU H 3.800 2.500 5.100 3.487 3.238 4.117 . 0 0 "[ . 1 . 2]" 2 315 1 73 ASN H 1 73 ASN QB 3.300 . 4.400 2.495 2.192 2.947 . 0 0 "[ . 1 . 2]" 2 316 1 73 ASN QB 1 74 MET H 4.500 . 6.000 3.505 2.224 3.906 . 0 0 "[ . 1 . 2]" 2 317 1 73 ASN QB 1 76 LEU H 4.500 . 5.600 2.602 2.044 3.065 . 0 0 "[ . 1 . 2]" 2 318 1 73 ASN H 1 76 LEU QD 4.200 . 5.200 5.035 4.552 5.328 0.128 16 0 "[ . 1 . 2]" 2 319 1 74 MET HA 1 75 GLU H 3.700 . 5.000 3.385 3.305 3.535 . 0 0 "[ . 1 . 2]" 2 320 1 74 MET HA 1 77 GLN H 3.600 2.300 4.900 3.418 3.081 3.883 . 0 0 "[ . 1 . 2]" 2 321 1 74 MET H 1 74 MET QB 3.300 . 4.400 2.536 2.244 3.544 . 0 0 "[ . 1 . 2]" 2 322 1 74 MET QB 1 75 GLU H 3.600 . 4.900 3.141 2.540 3.348 . 0 0 "[ . 1 . 2]" 2 323 1 74 MET H 1 74 MET ME 4.700 . 6.400 3.597 2.498 4.222 . 0 0 "[ . 1 . 2]" 2 324 1 74 MET H 1 74 MET QG 3.500 . 4.700 2.397 1.775 3.485 . 0 0 "[ . 1 . 2]" 2 325 1 75 GLU H 1 75 GLU QB 3.000 . 4.100 2.277 2.201 2.366 . 0 0 "[ . 1 . 2]" 2 326 1 75 GLU QB 1 76 LEU H 3.400 . 4.700 2.294 1.904 2.708 . 0 0 "[ . 1 . 2]" 2 327 1 75 GLU H 1 76 LEU HA 4.200 . 5.700 5.269 5.141 5.646 . 0 0 "[ . 1 . 2]" 2 328 1 75 GLU H 1 76 LEU QB 4.400 . 5.900 4.429 4.249 5.182 . 0 0 "[ . 1 . 2]" 2 329 1 76 LEU HA 1 77 GLN H 4.000 . 5.400 3.499 3.460 3.577 . 0 0 "[ . 1 . 2]" 2 330 1 76 LEU HA 1 79 MET H 3.600 2.300 4.900 3.295 2.963 3.503 . 0 0 "[ . 1 . 2]" 2 331 1 76 LEU H 1 76 LEU QB 3.400 . 4.200 2.283 2.148 2.759 . 0 0 "[ . 1 . 2]" 2 332 1 76 LEU QB 1 77 GLN H 3.800 . 5.100 2.787 2.245 2.970 . 0 0 "[ . 1 . 2]" 2 333 1 76 LEU H 1 76 LEU QD 3.800 . 4.800 3.501 2.375 3.780 . 0 0 "[ . 1 . 2]" 2 334 1 76 LEU QD 1 182 THR H 4.000 . 5.000 3.460 2.713 3.911 . 0 0 "[ . 1 . 2]" 2 335 1 76 LEU QD 1 79 MET H 3.800 . 4.800 4.589 3.616 4.869 0.069 8 0 "[ . 1 . 2]" 2 336 1 76 LEU QD 1 80 ILE H 4.000 . 5.000 4.281 2.917 5.033 0.033 9 0 "[ . 1 . 2]" 2 337 1 76 LEU H 1 76 LEU HG 4.000 . 5.400 4.332 1.756 4.623 . 0 0 "[ . 1 . 2]" 2 338 1 76 LEU H 1 77 GLN QG 4.800 . 6.500 6.042 3.771 6.486 . 0 0 "[ . 1 . 2]" 2 339 1 77 GLN HA 1 78 ARG H 3.500 . 4.800 3.520 3.478 3.577 . 0 0 "[ . 1 . 2]" 2 340 1 77 GLN H 1 77 GLN QB 3.600 . 4.900 2.313 2.168 2.493 . 0 0 "[ . 1 . 2]" 2 341 1 77 GLN QB 1 78 ARG H 3.800 . 5.000 2.750 2.562 2.948 . 0 0 "[ . 1 . 2]" 2 342 1 77 GLN H 1 77 GLN QG 3.600 . 4.900 3.833 2.199 4.117 . 0 0 "[ . 1 . 2]" 2 343 1 77 GLN H 1 78 ARG HA 4.500 . 6.000 5.175 5.041 5.549 . 0 0 "[ . 1 . 2]" 2 344 1 77 GLN H 1 78 ARG QB 4.100 . 5.500 4.357 4.105 4.875 . 0 0 "[ . 1 . 2]" 2 345 1 78 ARG HA 1 81 ALA H 3.500 2.200 4.800 3.489 3.261 3.725 . 0 0 "[ . 1 . 2]" 2 346 1 78 ARG H 1 78 ARG QB 2.900 . 3.900 2.291 2.107 2.459 . 0 0 "[ . 1 . 2]" 2 347 1 78 ARG QB 1 79 MET H 3.100 . 4.200 2.742 2.143 3.607 . 0 0 "[ . 1 . 2]" 2 348 1 78 ARG H 1 78 ARG QD 3.700 . 5.000 4.351 2.992 4.827 . 0 0 "[ . 1 . 2]" 2 349 1 78 ARG H 1 78 ARG QG 3.200 . 4.300 3.758 2.282 4.089 . 0 0 "[ . 1 . 2]" 2 350 1 78 ARG H 1 79 MET QG 4.500 . 6.000 4.763 4.208 6.026 0.026 14 0 "[ . 1 . 2]" 2 351 1 79 MET HA 1 80 ILE H 4.100 . 5.500 3.579 3.547 3.588 . 0 0 "[ . 1 . 2]" 2 352 1 79 MET HA 1 81 ALA H 4.500 3.000 6.000 3.938 3.744 4.097 . 0 0 "[ . 1 . 2]" 2 353 1 79 MET HA 1 82 ALA H 3.500 2.200 4.800 3.166 3.018 3.328 . 0 0 "[ . 1 . 2]" 2 354 1 79 MET H 1 79 MET QB 3.300 . 4.400 2.273 2.072 2.404 . 0 0 "[ . 1 . 2]" 2 355 1 79 MET QB 1 80 ILE H 4.000 . 5.400 2.430 2.127 2.687 . 0 0 "[ . 1 . 2]" 2 356 1 79 MET ME 1 185 LEU H 4.000 . 5.000 4.519 3.986 4.936 . 0 0 "[ . 1 . 2]" 2 357 1 79 MET ME 1 186 THR H 3.700 . 4.600 3.386 2.842 3.821 . 0 0 "[ . 1 . 2]" 2 358 1 79 MET H 1 79 MET ME 4.200 . 5.600 5.000 4.700 5.731 0.131 18 0 "[ . 1 . 2]" 2 359 1 79 MET H 1 79 MET QG 3.300 . 4.400 2.729 2.182 4.032 . 0 0 "[ . 1 . 2]" 2 360 1 79 MET H 1 185 LEU QD 4.600 . 5.700 4.754 4.204 5.346 . 0 0 "[ . 1 . 2]" 2 361 1 79 MET H 1 82 ALA MB 4.300 . 5.400 4.880 4.644 5.058 . 0 0 "[ . 1 . 2]" 2 362 1 80 ILE HA 1 81 ALA H 3.600 . 4.900 3.509 3.476 3.532 . 0 0 "[ . 1 . 2]" 2 363 1 80 ILE HA 1 82 ALA H 3.700 2.400 5.000 3.831 3.659 3.996 . 0 0 "[ . 1 . 2]" 2 364 1 80 ILE HA 1 83 VAL H 3.900 2.500 5.300 3.527 3.185 3.745 . 0 0 "[ . 1 . 2]" 2 365 1 80 ILE H 1 80 ILE HB 3.100 . 4.200 2.515 2.415 2.582 . 0 0 "[ . 1 . 2]" 2 366 1 80 ILE HB 1 81 ALA H 3.200 . 4.300 2.889 2.803 3.007 . 0 0 "[ . 1 . 2]" 2 367 1 80 ILE HB 1 82 ALA H 4.400 2.900 5.900 4.915 4.801 5.021 . 0 0 "[ . 1 . 2]" 2 368 1 80 ILE H 1 80 ILE MD 3.400 . 4.700 3.379 3.268 3.470 . 0 0 "[ . 1 . 2]" 2 369 1 80 ILE H 1 80 ILE QG 3.300 . 4.400 2.084 1.938 2.290 . 0 0 "[ . 1 . 2]" 2 370 1 80 ILE QG 1 82 ALA H 4.500 3.000 6.000 5.259 5.164 5.382 . 0 0 "[ . 1 . 2]" 2 371 1 80 ILE H 1 80 ILE MG 3.500 . 4.800 3.773 3.751 3.788 . 0 0 "[ . 1 . 2]" 2 372 1 80 ILE MG 1 82 ALA H 4.100 . 5.500 4.714 4.551 4.832 . 0 0 "[ . 1 . 2]" 2 373 1 80 ILE H 1 185 LEU QD 4.100 . 5.100 3.502 2.967 4.064 . 0 0 "[ . 1 . 2]" 2 374 1 81 ALA HA 1 82 ALA H 3.300 . 4.400 3.434 3.397 3.459 . 0 0 "[ . 1 . 2]" 2 375 1 81 ALA HA 1 83 VAL H 3.900 2.500 5.300 3.761 3.377 4.056 . 0 0 "[ . 1 . 2]" 2 376 1 81 ALA H 1 81 ALA MB 2.700 . 3.700 2.272 2.250 2.287 . 0 0 "[ . 1 . 2]" 2 377 1 81 ALA MB 1 82 ALA H 2.900 . 3.900 2.959 2.889 3.026 . 0 0 "[ . 1 . 2]" 2 378 1 81 ALA MB 1 83 VAL H 3.500 . 4.800 4.423 4.220 4.529 . 0 0 "[ . 1 . 2]" 2 379 1 82 ALA HA 1 83 VAL H 3.400 . 4.700 3.425 3.348 3.555 . 0 0 "[ . 1 . 2]" 2 380 1 82 ALA H 1 82 ALA MB 2.700 . 3.700 2.282 2.261 2.321 . 0 0 "[ . 1 . 2]" 2 381 1 82 ALA MB 1 83 VAL H 3.000 . 4.100 3.030 2.838 3.156 . 0 0 "[ . 1 . 2]" 2 382 1 82 ALA MB 1 84 ASP H 4.500 . 6.000 4.923 4.352 5.910 . 0 0 "[ . 1 . 2]" 2 383 1 82 ALA H 1 83 VAL QG 3.800 . 4.800 3.365 3.186 3.796 . 0 0 "[ . 1 . 2]" 2 384 1 83 VAL HA 1 84 ASP H 3.000 . 4.100 2.312 2.113 3.232 . 0 0 "[ . 1 . 2]" 2 385 1 83 VAL H 1 83 VAL HB 3.000 . 4.000 2.776 2.564 3.497 . 0 0 "[ . 1 . 2]" 2 386 1 83 VAL HB 1 84 ASP H 3.500 . 4.800 4.129 1.753 4.449 . 0 0 "[ . 1 . 2]" 2 387 1 83 VAL H 1 83 VAL QG 3.100 . 3.800 1.974 1.725 2.224 . 0 0 "[ . 1 . 2]" 2 388 1 83 VAL QG 1 85 THR H 4.200 . 5.600 4.428 2.148 5.175 . 0 0 "[ . 1 . 2]" 2 389 1 83 VAL QG 1 84 ASP H 3.400 . 4.600 3.186 1.801 3.660 . 0 0 "[ . 1 . 2]" 2 390 1 84 ASP HA 1 85 THR H 3.000 . 4.000 2.788 2.247 3.581 . 0 0 "[ . 1 . 2]" 2 391 1 84 ASP H 1 84 ASP QB 3.200 . 4.300 2.573 2.250 3.491 . 0 0 "[ . 1 . 2]" 2 392 1 84 ASP QB 1 85 THR H 3.500 . 4.800 2.952 1.828 4.019 . 0 0 "[ . 1 . 2]" 2 393 1 85 THR HA 1 86 ASP H 3.100 . 4.200 2.641 2.186 3.526 . 0 0 "[ . 1 . 2]" 2 394 1 85 THR HA 1 87 SER H 3.900 2.500 5.300 4.764 3.451 6.779 1.479 9 4 "[ . *+1 . - *]" 2 395 1 85 THR H 1 85 THR HB 3.800 . 5.200 3.423 2.774 4.005 . 0 0 "[ . 1 . 2]" 2 396 1 85 THR HB 1 86 ASP H 3.800 . 5.200 3.294 1.970 4.511 . 0 0 "[ . 1 . 2]" 2 397 1 85 THR H 1 85 THR MG 3.100 . 4.200 2.258 1.745 4.007 . 0 0 "[ . 1 . 2]" 2 398 1 86 ASP H 1 86 ASP QB 2.900 . 3.900 2.982 2.455 3.406 . 0 0 "[ . 1 . 2]" 2 399 1 86 ASP QB 1 87 SER H 3.200 . 4.300 2.770 1.691 4.062 . 0 0 "[ . 1 . 2]" 2 400 1 87 SER H 1 87 SER QB 3.200 . 4.300 2.820 2.201 3.496 . 0 0 "[ . 1 . 2]" 2 401 1 87 SER QB 1 89 ARG H 4.300 . 5.800 3.708 2.737 4.485 . 0 0 "[ . 1 . 2]" 2 402 1 87 SER QB 1 91 VAL H 4.400 . 5.500 3.661 3.081 4.439 . 0 0 "[ . 1 . 2]" 2 403 1 87 SER H 1 88 PRO QD 4.000 . 5.400 3.466 2.550 4.385 . 0 0 "[ . 1 . 2]" 2 404 1 87 SER H 1 91 VAL QG 4.300 . 5.400 3.394 2.101 4.688 . 0 0 "[ . 1 . 2]" 2 405 1 88 PRO HA 1 89 ARG H 3.700 . 5.000 3.538 3.434 3.613 . 0 0 "[ . 1 . 2]" 2 406 1 88 PRO HA 1 91 VAL H 3.600 2.300 4.900 3.818 3.404 4.464 . 0 0 "[ . 1 . 2]" 2 407 1 88 PRO HA 1 92 PHE H 4.600 2.900 6.300 3.662 3.322 4.091 . 0 0 "[ . 1 . 2]" 2 408 1 88 PRO QB 1 89 ARG H 4.000 . 4.900 2.997 2.246 3.470 . 0 0 "[ . 1 . 2]" 2 409 1 89 ARG HA 1 90 GLU H 4.100 . 5.500 3.574 3.517 3.595 . 0 0 "[ . 1 . 2]" 2 410 1 89 ARG H 1 89 ARG QB 3.400 . 4.300 2.480 2.245 2.885 . 0 0 "[ . 1 . 2]" 2 411 1 89 ARG QB 1 90 GLU H 4.100 . 5.200 2.592 2.381 3.306 . 0 0 "[ . 1 . 2]" 2 412 1 89 ARG H 1 89 ARG QD 3.500 . 4.800 3.982 3.370 4.744 . 0 0 "[ . 1 . 2]" 2 413 1 89 ARG H 1 89 ARG QG 4.000 . 5.400 2.554 1.607 4.015 . 0 0 "[ . 1 . 2]" 2 414 1 89 ARG H 1 139 TRP HH2 4.100 2.700 5.500 4.477 3.989 5.001 . 0 0 "[ . 1 . 2]" 2 415 1 89 ARG H 1 90 GLU QB 4.000 . 5.400 4.644 4.151 5.056 . 0 0 "[ . 1 . 2]" 2 416 1 89 ARG H 1 90 GLU QG 4.300 . 5.800 4.599 3.936 6.038 0.238 8 0 "[ . 1 . 2]" 2 417 1 90 GLU HA 1 91 VAL H 3.700 . 5.000 3.576 3.497 3.647 . 0 0 "[ . 1 . 2]" 2 418 1 90 GLU HA 1 93 PHE H 4.100 2.700 5.500 3.833 3.599 4.168 . 0 0 "[ . 1 . 2]" 2 419 1 90 GLU H 1 90 GLU QB 3.000 . 4.000 2.392 2.095 2.616 . 0 0 "[ . 1 . 2]" 2 420 1 90 GLU QB 1 91 VAL H 3.100 . 4.200 2.730 2.216 3.603 . 0 0 "[ . 1 . 2]" 2 421 1 90 GLU H 1 90 GLU QG 3.300 . 4.400 2.522 1.854 3.863 . 0 0 "[ . 1 . 2]" 2 422 1 90 GLU H 1 91 VAL QG 4.300 . 5.800 4.015 3.495 4.301 . 0 0 "[ . 1 . 2]" 2 423 1 91 VAL HA 1 92 PHE H 4.200 . 5.700 3.562 3.546 3.576 . 0 0 "[ . 1 . 2]" 2 424 1 91 VAL H 1 91 VAL HB 3.000 . 4.000 2.557 2.277 3.511 . 0 0 "[ . 1 . 2]" 2 425 1 91 VAL HB 1 92 PHE H 3.300 . 4.400 2.623 2.356 4.042 . 0 0 "[ . 1 . 2]" 2 426 1 91 VAL QG 1 188 TRP HE1 3.900 . 4.900 3.232 1.789 4.738 . 0 0 "[ . 1 . 2]" 2 427 1 91 VAL H 1 91 VAL QG 3.000 . 4.000 2.084 1.686 2.518 . 0 0 "[ . 1 . 2]" 2 428 1 91 VAL QG 1 93 PHE H 4.400 . 5.900 4.594 4.106 4.850 . 0 0 "[ . 1 . 2]" 2 429 1 91 VAL QG 1 95 VAL H 3.800 . 4.800 3.297 3.020 4.000 . 0 0 "[ . 1 . 2]" 2 430 1 91 VAL H 1 92 PHE HA 4.500 . 6.000 5.287 4.984 5.420 . 0 0 "[ . 1 . 2]" 2 431 1 91 VAL H 1 92 PHE QB 4.600 . 6.100 4.359 4.052 4.526 . 0 0 "[ . 1 . 2]" 2 432 1 92 PHE HA 1 93 PHE H 3.700 . 5.000 3.590 3.563 3.608 . 0 0 "[ . 1 . 2]" 2 433 1 92 PHE H 1 92 PHE QB 3.500 . 4.800 2.274 2.257 2.289 . 0 0 "[ . 1 . 2]" 2 434 1 92 PHE QB 1 93 PHE H 3.700 . 4.800 2.514 2.298 2.743 . 0 0 "[ . 1 . 2]" 2 435 1 93 PHE HA 1 94 ARG H 3.800 . 5.100 3.527 3.505 3.559 . 0 0 "[ . 1 . 2]" 2 436 1 93 PHE HA 1 96 ALA H 3.800 2.400 5.200 3.689 3.524 3.857 . 0 0 "[ . 1 . 2]" 2 437 1 93 PHE H 1 93 PHE QB 3.300 . 4.300 2.295 2.156 2.346 . 0 0 "[ . 1 . 2]" 2 438 1 93 PHE QB 1 94 ARG H 3.900 . 5.300 2.788 2.675 2.899 . 0 0 "[ . 1 . 2]" 2 439 1 93 PHE H 1 93 PHE QD 3.900 . 5.300 4.194 3.837 4.242 . 0 0 "[ . 1 . 2]" 2 440 1 94 ARG HA 1 97 ALA H 3.900 2.500 5.300 3.739 3.468 4.060 . 0 0 "[ . 1 . 2]" 2 441 1 94 ARG H 1 94 ARG QB 3.200 . 4.200 2.252 2.119 2.311 . 0 0 "[ . 1 . 2]" 2 442 1 94 ARG H 1 94 ARG QG 3.200 . 4.300 3.984 3.656 4.099 . 0 0 "[ . 1 . 2]" 2 443 1 95 VAL HA 1 98 ASP H 3.700 2.400 5.000 3.403 2.985 3.701 . 0 0 "[ . 1 . 2]" 2 444 1 95 VAL H 1 95 VAL HB 3.100 . 4.200 2.401 2.292 2.534 . 0 0 "[ . 1 . 2]" 2 445 1 95 VAL H 1 95 VAL QG 2.900 . 3.900 2.125 1.870 2.400 . 0 0 "[ . 1 . 2]" 2 446 1 95 VAL QG 1 185 LEU H 4.200 . 5.300 4.467 3.966 5.072 . 0 0 "[ . 1 . 2]" 2 447 1 95 VAL QG 1 99 MET H 4.200 . 5.300 3.919 3.220 4.294 . 0 0 "[ . 1 . 2]" 2 448 1 96 ALA HA 1 97 ALA H 3.900 . 5.300 3.529 3.494 3.559 . 0 0 "[ . 1 . 2]" 2 449 1 96 ALA HA 1 99 MET H 4.200 2.700 5.700 3.676 3.392 4.019 . 0 0 "[ . 1 . 2]" 2 450 1 96 ALA H 1 96 ALA MB 2.900 . 3.900 2.245 2.227 2.274 . 0 0 "[ . 1 . 2]" 2 451 1 96 ALA MB 1 97 ALA H 3.100 . 4.200 2.378 1.968 2.770 . 0 0 "[ . 1 . 2]" 2 452 1 97 ALA HA 1 100 PHE H 4.000 2.600 5.400 3.591 3.335 3.932 . 0 0 "[ . 1 . 2]" 2 453 1 97 ALA HA 1 98 ASP H 3.800 . 5.200 3.536 3.449 3.584 . 0 0 "[ . 1 . 2]" 2 454 1 97 ALA MB 1 100 PHE H 4.200 . 5.200 4.575 4.416 4.805 . 0 0 "[ . 1 . 2]" 2 455 1 97 ALA MB 1 101 SER H 4.200 . 5.200 4.388 3.645 5.194 . 0 0 "[ . 1 . 2]" 2 456 1 97 ALA H 1 97 ALA MB 2.800 . 3.800 2.260 2.225 2.283 . 0 0 "[ . 1 . 2]" 2 457 1 97 ALA MB 1 98 ASP H 3.000 . 4.100 2.630 2.485 2.875 . 0 0 "[ . 1 . 2]" 2 458 1 97 ALA H 1 98 ASP QB 4.600 . 6.300 4.573 4.124 4.977 . 0 0 "[ . 1 . 2]" 2 459 1 98 ASP HA 1 101 SER H 3.800 2.500 5.100 3.792 2.850 5.126 0.026 12 0 "[ . 1 . 2]" 2 460 1 98 ASP HA 1 99 MET H 3.800 . 5.200 3.562 3.534 3.587 . 0 0 "[ . 1 . 2]" 2 461 1 98 ASP H 1 98 ASP QB 3.100 . 4.200 2.347 2.273 2.536 . 0 0 "[ . 1 . 2]" 2 462 1 99 MET HA 1 100 PHE H 3.800 . 5.200 3.462 3.265 3.559 . 0 0 "[ . 1 . 2]" 2 463 1 99 MET QB 1 100 PHE H 3.700 . 5.000 2.893 2.556 3.316 . 0 0 "[ . 1 . 2]" 2 464 1 99 MET H 1 99 MET QB 3.300 . 4.400 2.312 2.074 2.546 . 0 0 "[ . 1 . 2]" 2 465 1 99 MET ME 1 113 LEU H 3.800 . 4.700 4.144 3.085 4.731 0.031 19 0 "[ . 1 . 2]" 2 466 1 99 MET ME 1 116 PHE H 4.200 . 5.200 4.749 4.207 5.243 0.043 15 0 "[ . 1 . 2]" 2 467 1 99 MET H 1 99 MET ME 3.900 . 5.300 4.178 3.660 4.570 . 0 0 "[ . 1 . 2]" 2 468 1 99 MET H 1 99 MET QG 3.400 . 4.700 3.030 2.058 4.034 . 0 0 "[ . 1 . 2]" 2 469 1 99 MET H 1 100 PHE QD 4.700 . 6.400 4.214 3.340 5.121 . 0 0 "[ . 1 . 2]" 2 470 1 100 PHE HA 1 101 SER H 3.600 . 4.900 3.411 3.082 3.607 . 0 0 "[ . 1 . 2]" 2 471 1 100 PHE HA 1 102 ASP H 4.300 2.800 5.800 4.495 3.002 5.910 0.110 16 0 "[ . 1 . 2]" 2 472 1 100 PHE H 1 100 PHE QB 3.700 . 4.700 2.533 2.205 2.841 . 0 0 "[ . 1 . 2]" 2 473 1 100 PHE QB 1 101 SER H 4.700 . 6.000 2.657 1.767 3.711 . 0 0 "[ . 1 . 2]" 2 474 1 100 PHE H 1 100 PHE QD 3.700 . 5.000 2.794 2.068 3.549 . 0 0 "[ . 1 . 2]" 2 475 1 100 PHE H 1 100 PHE QE 4.400 . 5.900 4.673 3.862 5.589 . 0 0 "[ . 1 . 2]" 2 476 1 100 PHE H 1 101 SER HA 4.700 . 6.400 4.658 4.383 5.065 . 0 0 "[ . 1 . 2]" 2 477 1 100 PHE H 1 101 SER QB 4.800 . 6.500 4.131 3.661 4.650 . 0 0 "[ . 1 . 2]" 2 478 1 101 SER HA 1 102 ASP H 3.500 . 4.800 3.036 2.207 3.617 . 0 0 "[ . 1 . 2]" 2 479 1 101 SER H 1 101 SER QB 3.400 . 4.400 2.766 2.209 3.413 . 0 0 "[ . 1 . 2]" 2 480 1 101 SER QB 1 102 ASP H 4.400 . 5.900 3.080 1.703 4.074 . 0 0 "[ . 1 . 2]" 2 481 1 102 ASP HA 1 103 GLY H 3.600 . 4.900 2.981 2.471 3.604 . 0 0 "[ . 1 . 2]" 2 482 1 102 ASP H 1 102 ASP QB 3.600 . 4.800 2.827 2.294 3.535 . 0 0 "[ . 1 . 2]" 2 483 1 102 ASP QB 1 103 GLY H 4.400 . 5.900 3.253 1.795 4.050 . 0 0 "[ . 1 . 2]" 2 484 1 103 GLY QA 1 104 ASN H 3.600 . 4.900 2.457 2.082 2.937 . 0 0 "[ . 1 . 2]" 2 485 1 104 ASN HA 1 105 PHE H 2.900 . 3.900 2.725 2.182 3.598 . 0 0 "[ . 1 . 2]" 2 486 1 104 ASN H 1 105 PHE QB 3.900 . 5.300 5.278 3.539 6.519 1.219 10 6 "[ ** *-+ * 2]" 2 487 1 105 PHE HA 1 106 ASN H 3.100 . 4.200 2.549 2.147 3.525 . 0 0 "[ . 1 . 2]" 2 488 1 105 PHE H 1 105 PHE QB 3.500 . 4.800 2.768 2.248 3.561 . 0 0 "[ . 1 . 2]" 2 489 1 105 PHE QB 1 106 ASN H 4.200 . 5.300 3.159 1.798 4.061 . 0 0 "[ . 1 . 2]" 2 490 1 106 ASN HA 1 107 TRP H 4.000 . 5.400 2.433 2.152 3.626 . 0 0 "[ . 1 . 2]" 2 491 1 106 ASN QB 1 107 TRP H 4.600 . 6.100 2.993 1.927 3.893 . 0 0 "[ . 1 . 2]" 2 492 1 107 TRP HA 1 110 VAL H 4.000 2.600 5.400 3.765 3.438 4.053 . 0 0 "[ . 1 . 2]" 2 493 1 108 GLY QA 1 109 ARG H 4.000 . 5.400 2.742 2.527 2.890 . 0 0 "[ . 1 . 2]" 2 494 1 108 GLY H 1 177 VAL QG 4.800 . 6.000 5.433 4.535 6.068 0.068 9 0 "[ . 1 . 2]" 2 495 1 109 ARG H 1 109 ARG QD 4.500 . 6.000 3.422 1.700 4.719 . 0 0 "[ . 1 . 2]" 2 496 1 109 ARG H 1 109 ARG QG 3.900 . 5.300 2.497 1.692 3.990 . 0 0 "[ . 1 . 2]" 2 497 1 110 VAL H 1 110 VAL HB 3.400 . 4.700 2.719 2.219 3.626 . 0 0 "[ . 1 . 2]" 2 498 1 110 VAL HB 1 111 VAL H 3.700 . 5.000 2.965 2.017 4.076 . 0 0 "[ . 1 . 2]" 2 499 1 110 VAL H 1 110 VAL QG 3.100 . 4.200 1.993 1.729 2.755 . 0 0 "[ . 1 . 2]" 2 500 1 110 VAL H 1 111 VAL QG 4.000 . 5.400 3.976 3.537 4.323 . 0 0 "[ . 1 . 2]" 2 501 1 110 VAL H 1 148 LEU QD 4.400 . 5.500 4.855 4.226 5.469 . 0 0 "[ . 1 . 2]" 2 502 1 111 VAL HA 1 112 ALA H 4.200 . 5.700 3.542 3.430 3.577 . 0 0 "[ . 1 . 2]" 2 503 1 111 VAL HA 1 114 PHE H 3.700 2.400 5.000 3.545 3.128 3.956 . 0 0 "[ . 1 . 2]" 2 504 1 111 VAL HA 1 115 TYR H 4.600 2.900 6.300 4.318 3.392 4.637 . 0 0 "[ . 1 . 2]" 2 505 1 111 VAL H 1 111 VAL HB 3.400 . 4.500 2.758 2.494 3.687 . 0 0 "[ . 1 . 2]" 2 506 1 111 VAL HB 1 112 ALA H 3.600 . 4.900 2.697 2.265 4.014 . 0 0 "[ . 1 . 2]" 2 507 1 111 VAL H 1 111 VAL QG 3.200 . 4.300 1.878 1.710 2.160 . 0 0 "[ . 1 . 2]" 2 508 1 111 VAL QG 1 115 TYR H 4.600 . 5.700 4.157 3.660 4.643 . 0 0 "[ . 1 . 2]" 2 509 1 112 ALA HA 1 113 LEU H 4.000 . 5.400 3.492 3.407 3.585 . 0 0 "[ . 1 . 2]" 2 510 1 112 ALA HA 1 115 TYR H 3.900 2.500 5.300 3.570 3.300 3.914 . 0 0 "[ . 1 . 2]" 2 511 1 112 ALA H 1 112 ALA MB 3.100 . 4.200 2.225 2.095 2.285 . 0 0 "[ . 1 . 2]" 2 512 1 112 ALA MB 1 113 LEU H 3.300 . 4.400 2.815 2.170 3.112 . 0 0 "[ . 1 . 2]" 2 513 1 113 LEU HA 1 114 PHE H 4.300 . 5.800 3.574 3.549 3.589 . 0 0 "[ . 1 . 2]" 2 514 1 113 LEU H 1 113 LEU QB 3.600 . 4.900 2.238 2.104 2.341 . 0 0 "[ . 1 . 2]" 2 515 1 113 LEU QB 1 114 PHE H 3.800 . 5.200 2.280 2.154 2.565 . 0 0 "[ . 1 . 2]" 2 516 1 113 LEU H 1 113 LEU QD 4.100 . 5.100 3.758 3.644 3.801 . 0 0 "[ . 1 . 2]" 2 517 1 113 LEU QD 1 116 PHE H 4.400 . 4.500 4.274 4.006 4.510 0.010 6 0 "[ . 1 . 2]" 2 518 1 113 LEU H 1 113 LEU HG 3.800 . 5.100 4.318 3.969 4.536 . 0 0 "[ . 1 . 2]" 2 519 1 114 PHE HA 1 115 TYR H 4.200 . 5.700 3.557 3.544 3.568 . 0 0 "[ . 1 . 2]" 2 520 1 114 PHE HA 1 117 ALA H 4.000 2.600 5.400 3.860 3.598 4.095 . 0 0 "[ . 1 . 2]" 2 521 1 114 PHE H 1 114 PHE QB 3.700 . 5.000 2.485 2.244 2.699 . 0 0 "[ . 1 . 2]" 2 522 1 114 PHE QB 1 115 TYR H 3.900 . 5.300 2.524 2.399 2.672 . 0 0 "[ . 1 . 2]" 2 523 1 114 PHE H 1 114 PHE QD 3.900 . 5.300 2.613 2.031 3.011 . 0 0 "[ . 1 . 2]" 2 524 1 115 TYR HA 1 118 SER H 4.300 2.800 5.800 3.226 3.077 3.363 . 0 0 "[ . 1 . 2]" 2 525 1 115 TYR HA 1 119 LYS H 4.800 3.100 6.500 4.498 4.324 4.661 . 0 0 "[ . 1 . 2]" 2 526 1 115 TYR H 1 115 TYR QB 3.600 . 4.900 2.286 2.248 2.305 . 0 0 "[ . 1 . 2]" 2 527 1 115 TYR QB 1 116 PHE H 4.300 . 5.800 2.559 2.338 2.761 . 0 0 "[ . 1 . 2]" 2 528 1 116 PHE HA 1 117 ALA H 4.100 . 5.500 3.578 3.566 3.593 . 0 0 "[ . 1 . 2]" 2 529 1 116 PHE HA 1 118 SER H 4.800 3.100 6.500 4.391 4.223 4.599 . 0 0 "[ . 1 . 2]" 2 530 1 116 PHE HA 1 119 LYS H 4.400 2.900 5.900 3.877 3.760 4.002 . 0 0 "[ . 1 . 2]" 2 531 1 116 PHE H 1 116 PHE QB 3.700 . 5.000 2.279 2.166 2.301 . 0 0 "[ . 1 . 2]" 2 532 1 116 PHE QB 1 117 ALA H 3.900 . 5.300 2.473 2.392 2.545 . 0 0 "[ . 1 . 2]" 2 533 1 116 PHE H 1 117 ALA MB 4.300 . 5.800 4.480 4.395 4.552 . 0 0 "[ . 1 . 2]" 2 534 1 117 ALA HA 1 118 SER H 4.200 . 5.600 3.549 3.528 3.590 . 0 0 "[ . 1 . 2]" 2 535 1 117 ALA HA 1 120 LEU H 3.900 2.500 5.300 3.123 3.000 3.259 . 0 0 "[ . 1 . 2]" 2 536 1 117 ALA H 1 117 ALA MB 2.900 . 3.900 2.260 2.250 2.273 . 0 0 "[ . 1 . 2]" 2 537 1 117 ALA MB 1 118 SER H 3.100 . 4.200 2.677 2.579 2.807 . 0 0 "[ . 1 . 2]" 2 538 1 117 ALA H 1 121 VAL QG 4.200 . 5.300 5.377 5.332 5.433 0.133 5 0 "[ . 1 . 2]" 2 539 1 118 SER QB 1 119 LYS H 4.600 . 6.300 2.949 2.451 3.397 . 0 0 "[ . 1 . 2]" 2 540 1 119 LYS HA 1 120 LEU H 4.200 . 5.700 3.573 3.486 3.611 . 0 0 "[ . 1 . 2]" 2 541 1 119 LYS H 1 119 LYS QB 3.400 . 4.700 2.387 2.138 2.748 . 0 0 "[ . 1 . 2]" 2 542 1 119 LYS QB 1 120 LEU H 4.200 . 5.600 2.714 2.280 3.583 . 0 0 "[ . 1 . 2]" 2 543 1 119 LYS H 1 119 LYS QD 3.900 . 5.300 3.824 2.722 4.564 . 0 0 "[ . 1 . 2]" 2 544 1 119 LYS H 1 119 LYS QG 3.700 . 5.000 2.836 1.775 4.092 . 0 0 "[ . 1 . 2]" 2 545 1 120 LEU H 1 120 LEU QB 3.500 . 4.800 2.286 2.035 2.662 . 0 0 "[ . 1 . 2]" 2 546 1 120 LEU QB 1 121 VAL H 4.600 . 6.000 2.510 2.303 2.670 . 0 0 "[ . 1 . 2]" 2 547 1 120 LEU H 1 120 LEU QD 3.700 . 4.800 3.004 2.378 3.705 . 0 0 "[ . 1 . 2]" 2 548 1 120 LEU H 1 120 LEU HG 3.400 . 4.500 3.260 1.824 4.528 0.028 9 0 "[ . 1 . 2]" 2 549 1 120 LEU H 1 136 ILE MD 4.200 . 5.300 5.049 4.727 5.332 0.032 11 0 "[ . 1 . 2]" 2 550 1 121 VAL HA 1 124 ALA H 3.600 2.300 4.900 3.379 2.783 3.737 . 0 0 "[ . 1 . 2]" 2 551 1 121 VAL HA 1 125 LEU H 4.400 2.900 5.900 4.304 3.998 4.553 . 0 0 "[ . 1 . 2]" 2 552 1 121 VAL H 1 121 VAL HB 3.400 . 4.500 2.680 2.447 3.326 . 0 0 "[ . 1 . 2]" 2 553 1 121 VAL HB 1 122 LEU H 4.000 . 5.400 2.593 1.967 4.272 . 0 0 "[ . 1 . 2]" 2 554 1 121 VAL H 1 121 VAL QG 3.200 . 4.300 1.991 1.699 2.181 . 0 0 "[ . 1 . 2]" 2 555 1 121 VAL QG 1 136 ILE H 3.900 . 4.900 4.741 4.296 5.030 0.130 10 0 "[ . 1 . 2]" 2 556 1 121 VAL H 1 136 ILE MD 4.700 . 5.900 3.580 3.135 4.280 . 0 0 "[ . 1 . 2]" 2 557 1 122 LEU HA 1 123 LYS H 3.400 . 4.500 3.570 3.484 3.597 . 0 0 "[ . 1 . 2]" 2 558 1 122 LEU H 1 122 LEU QB 3.700 . 5.000 2.277 2.037 2.623 . 0 0 "[ . 1 . 2]" 2 559 1 122 LEU QB 1 123 LYS H 3.500 . 4.800 2.532 2.187 2.892 . 0 0 "[ . 1 . 2]" 2 560 1 122 LEU H 1 122 LEU QD 3.900 . 5.000 2.736 1.997 3.546 . 0 0 "[ . 1 . 2]" 2 561 1 122 LEU H 1 122 LEU HG 3.400 . 4.500 3.585 1.867 4.468 . 0 0 "[ . 1 . 2]" 2 562 1 123 LYS HA 1 124 ALA H 3.600 . 4.900 3.538 3.510 3.563 . 0 0 "[ . 1 . 2]" 2 563 1 123 LYS HA 1 126 CYS H 3.800 2.500 5.100 3.678 3.357 3.938 . 0 0 "[ . 1 . 2]" 2 564 1 123 LYS H 1 123 LYS QB 3.100 . 4.200 2.298 2.192 2.469 . 0 0 "[ . 1 . 2]" 2 565 1 123 LYS QB 1 124 ALA H 3.600 . 4.900 2.746 2.635 2.843 . 0 0 "[ . 1 . 2]" 2 566 1 123 LYS H 1 123 LYS QD 3.600 . 4.900 4.117 3.432 4.827 . 0 0 "[ . 1 . 2]" 2 567 1 123 LYS H 1 123 LYS QG 3.200 . 4.300 3.454 2.119 4.105 . 0 0 "[ . 1 . 2]" 2 568 1 124 ALA HA 1 125 LEU H 3.600 . 4.900 3.483 3.456 3.512 . 0 0 "[ . 1 . 2]" 2 569 1 124 ALA HA 1 127 THR H 4.700 3.000 6.400 3.323 3.144 3.476 . 0 0 "[ . 1 . 2]" 2 570 1 124 ALA HA 1 129 VAL H 4.300 2.800 5.800 4.754 4.173 5.154 . 0 0 "[ . 1 . 2]" 2 571 1 124 ALA H 1 124 ALA MB 2.900 . 3.900 2.279 2.248 2.297 . 0 0 "[ . 1 . 2]" 2 572 1 124 ALA MB 1 125 LEU H 3.100 . 4.200 2.769 2.703 2.832 . 0 0 "[ . 1 . 2]" 2 573 1 124 ALA MB 1 126 CYS H 3.700 . 5.000 4.698 4.600 4.770 . 0 0 "[ . 1 . 2]" 2 574 1 124 ALA MB 1 127 THR H 3.900 . 4.900 4.487 4.356 4.724 . 0 0 "[ . 1 . 2]" 2 575 1 124 ALA MB 1 129 VAL H 4.100 . 5.100 4.021 3.861 4.302 . 0 0 "[ . 1 . 2]" 2 576 1 124 ALA MB 1 133 ILE H 4.000 . 5.000 3.642 3.022 4.052 . 0 0 "[ . 1 . 2]" 2 577 1 124 ALA H 1 125 LEU QB 4.700 . 6.400 4.200 4.157 4.351 . 0 0 "[ . 1 . 2]" 2 578 1 124 ALA H 1 136 ILE MD 4.700 . 5.900 4.287 3.679 5.580 . 0 0 "[ . 1 . 2]" 2 579 1 125 LEU HA 1 126 CYS H 3.300 . 4.400 3.577 3.553 3.598 . 0 0 "[ . 1 . 2]" 2 580 1 125 LEU HA 1 127 THR H 4.200 2.700 5.700 4.278 3.757 4.841 . 0 0 "[ . 1 . 2]" 2 581 1 125 LEU H 1 125 LEU QB 3.100 . 4.200 2.191 2.135 2.234 . 0 0 "[ . 1 . 2]" 2 582 1 125 LEU QB 1 126 CYS H 3.300 . 4.400 2.459 2.348 2.586 . 0 0 "[ . 1 . 2]" 2 583 1 125 LEU H 1 125 LEU QD 3.300 . 4.400 3.703 3.281 3.774 . 0 0 "[ . 1 . 2]" 2 584 1 125 LEU H 1 126 CYS HA 4.800 . 6.500 5.352 5.250 5.454 . 0 0 "[ . 1 . 2]" 2 585 1 125 LEU H 1 126 CYS QB 4.000 . 5.400 4.716 4.590 4.865 . 0 0 "[ . 1 . 2]" 2 586 1 125 LEU H 1 133 ILE MD 4.100 . 5.100 3.969 2.858 4.621 . 0 0 "[ . 1 . 2]" 2 587 1 126 CYS H 1 126 CYS QB 2.900 . 3.900 2.345 2.219 2.533 . 0 0 "[ . 1 . 2]" 2 588 1 126 CYS H 1 127 THR MG 4.000 . 5.400 4.691 3.606 5.508 0.108 10 0 "[ . 1 . 2]" 2 589 1 127 THR HA 1 128 LYS H 3.500 . 4.800 3.381 3.311 3.469 . 0 0 "[ . 1 . 2]" 2 590 1 127 THR HA 1 129 VAL H 4.400 2.900 5.900 5.440 4.978 5.763 . 0 0 "[ . 1 . 2]" 2 591 1 127 THR H 1 127 THR HB 3.800 . 5.100 3.389 1.948 3.692 . 0 0 "[ . 1 . 2]" 2 592 1 127 THR HB 1 128 LYS H 3.700 . 5.000 3.870 3.505 4.246 . 0 0 "[ . 1 . 2]" 2 593 1 127 THR HB 1 129 VAL H 4.500 3.000 6.000 4.369 3.322 5.102 . 0 0 "[ . 1 . 2]" 2 594 1 127 THR H 1 127 THR MG 3.200 . 4.300 2.841 1.790 3.692 . 0 0 "[ . 1 . 2]" 2 595 1 127 THR H 1 128 LYS HA 4.600 . 6.100 4.837 4.359 5.308 . 0 0 "[ . 1 . 2]" 2 596 1 128 LYS HA 1 129 VAL H 3.200 . 4.300 2.644 2.452 3.056 . 0 0 "[ . 1 . 2]" 2 597 1 128 LYS QB 1 129 VAL H 4.000 . 5.400 3.944 3.865 3.994 . 0 0 "[ . 1 . 2]" 2 598 1 128 LYS H 1 128 LYS QB 3.600 . 4.900 3.404 3.297 3.538 . 0 0 "[ . 1 . 2]" 2 599 1 128 LYS H 1 128 LYS QE 4.500 . 6.000 4.750 4.084 5.326 . 0 0 "[ . 1 . 2]" 2 600 1 128 LYS H 1 128 LYS QG 3.100 . 4.200 2.819 2.649 3.490 . 0 0 "[ . 1 . 2]" 2 601 1 128 LYS H 1 129 VAL HB 4.500 . 6.000 5.067 4.975 5.153 . 0 0 "[ . 1 . 2]" 2 602 1 128 LYS H 1 129 VAL QG 3.800 . 5.100 3.692 3.483 3.860 . 0 0 "[ . 1 . 2]" 2 603 1 129 VAL HA 1 132 LEU H 4.700 3.000 6.400 4.301 4.198 4.472 . 0 0 "[ . 1 . 2]" 2 604 1 129 VAL H 1 129 VAL HB 3.100 . 4.200 2.841 2.704 3.263 . 0 0 "[ . 1 . 2]" 2 605 1 129 VAL H 1 129 VAL QG 3.300 . 3.900 2.621 1.993 2.819 . 0 0 "[ . 1 . 2]" 2 606 1 129 VAL H 1 130 PRO QD 3.800 . 5.000 2.970 2.808 3.157 . 0 0 "[ . 1 . 2]" 2 607 1 129 VAL H 1 130 PRO QG 4.300 . 5.800 4.716 4.567 4.896 . 0 0 "[ . 1 . 2]" 2 608 1 129 VAL H 1 132 LEU QD 4.200 . 5.300 5.165 4.976 5.421 0.121 19 0 "[ . 1 . 2]" 2 609 1 130 PRO HA 1 131 GLU H 4.500 . 6.000 3.479 3.365 3.565 . 0 0 "[ . 1 . 2]" 2 610 1 130 PRO HA 1 132 LEU H 3.800 2.400 5.200 3.768 3.567 4.007 . 0 0 "[ . 1 . 2]" 2 611 1 131 GLU HA 1 132 LEU H 3.500 . 4.800 3.448 3.335 3.594 . 0 0 "[ . 1 . 2]" 2 612 1 131 GLU H 1 131 GLU QB 3.700 . 5.000 2.342 2.207 2.610 . 0 0 "[ . 1 . 2]" 2 613 1 131 GLU QB 1 132 LEU H 3.400 . 4.500 2.836 2.489 3.151 . 0 0 "[ . 1 . 2]" 2 614 1 131 GLU H 1 131 GLU QG 4.300 . 5.800 3.334 1.982 4.069 . 0 0 "[ . 1 . 2]" 2 615 1 132 LEU HA 1 133 ILE H 4.100 . 5.500 3.550 3.489 3.608 . 0 0 "[ . 1 . 2]" 2 616 1 132 LEU HA 1 135 THR H 3.900 2.500 5.300 3.048 2.868 3.338 . 0 0 "[ . 1 . 2]" 2 617 1 132 LEU H 1 132 LEU QB 3.000 . 4.100 2.265 2.038 2.339 . 0 0 "[ . 1 . 2]" 2 618 1 132 LEU QB 1 133 ILE H 4.200 . 5.600 2.660 2.115 2.953 . 0 0 "[ . 1 . 2]" 2 619 1 132 LEU H 1 132 LEU QD 3.100 . 4.200 3.677 3.179 3.787 . 0 0 "[ . 1 . 2]" 2 620 1 132 LEU QD 1 135 THR H 4.200 . 5.200 4.217 4.018 4.356 . 0 0 "[ . 1 . 2]" 2 621 1 132 LEU H 1 132 LEU HG 3.300 . 4.400 4.461 4.398 4.541 0.141 4 0 "[ . 1 . 2]" 2 622 1 132 LEU H 1 133 ILE HA 4.400 . 5.900 5.118 4.988 5.302 . 0 0 "[ . 1 . 2]" 2 623 1 132 LEU H 1 133 ILE HB 4.100 . 5.500 4.644 4.430 4.924 . 0 0 "[ . 1 . 2]" 2 624 1 132 LEU H 1 133 ILE MD 4.500 . 6.000 4.841 3.512 5.121 . 0 0 "[ . 1 . 2]" 2 625 1 132 LEU H 1 133 ILE MG 4.600 . 6.300 5.733 5.615 5.887 . 0 0 "[ . 1 . 2]" 2 626 1 133 ILE HA 1 134 ARG H 4.200 . 5.700 3.571 3.554 3.596 . 0 0 "[ . 1 . 2]" 2 627 1 133 ILE HA 1 136 ILE H 4.100 2.700 5.500 3.663 3.370 4.132 . 0 0 "[ . 1 . 2]" 2 628 1 133 ILE H 1 133 ILE HB 3.200 . 4.300 2.563 2.368 2.762 . 0 0 "[ . 1 . 2]" 2 629 1 133 ILE HB 1 134 ARG H 3.400 . 4.700 2.428 2.329 2.578 . 0 0 "[ . 1 . 2]" 2 630 1 133 ILE H 1 133 ILE MD 3.400 . 4.700 3.338 1.818 3.563 . 0 0 "[ . 1 . 2]" 2 631 1 133 ILE H 1 133 ILE QG 3.400 . 4.700 2.068 1.783 3.217 . 0 0 "[ . 1 . 2]" 2 632 1 133 ILE H 1 133 ILE MG 3.500 . 4.700 3.773 3.753 3.797 . 0 0 "[ . 1 . 2]" 2 633 1 134 ARG HA 1 135 THR H 4.200 . 5.600 3.560 3.543 3.582 . 0 0 "[ . 1 . 2]" 2 634 1 134 ARG HA 1 137 MET H 4.000 2.600 5.400 3.843 3.172 4.347 . 0 0 "[ . 1 . 2]" 2 635 1 134 ARG HA 1 138 GLY H 4.100 2.700 5.500 4.243 3.653 4.577 . 0 0 "[ . 1 . 2]" 2 636 1 134 ARG H 1 134 ARG QB 3.200 . 4.300 2.376 2.245 2.741 . 0 0 "[ . 1 . 2]" 2 637 1 134 ARG QB 1 135 THR H 3.400 . 4.700 2.538 2.449 2.663 . 0 0 "[ . 1 . 2]" 2 638 1 134 ARG H 1 134 ARG QD 4.200 . 5.600 4.116 3.422 4.728 . 0 0 "[ . 1 . 2]" 2 639 1 134 ARG H 1 134 ARG QG 3.300 . 4.400 3.093 1.736 3.995 . 0 0 "[ . 1 . 2]" 2 640 1 135 THR HA 1 136 ILE H 3.800 . 5.200 3.511 3.461 3.593 . 0 0 "[ . 1 . 2]" 2 641 1 135 THR HA 1 138 GLY H 3.700 2.400 5.000 3.720 3.481 4.016 . 0 0 "[ . 1 . 2]" 2 642 1 135 THR H 1 135 THR HB 3.300 . 4.400 2.596 2.193 3.673 . 0 0 "[ . 1 . 2]" 2 643 1 135 THR HB 1 136 ILE H 3.400 . 4.700 2.994 2.249 3.936 . 0 0 "[ . 1 . 2]" 2 644 1 136 ILE HA 1 137 MET H 4.400 . 5.900 3.584 3.540 3.626 . 0 0 "[ . 1 . 2]" 2 645 1 136 ILE HA 1 139 TRP H 3.500 2.200 4.800 3.295 3.095 3.714 . 0 0 "[ . 1 . 2]" 2 646 1 136 ILE H 1 136 ILE HB 3.200 . 4.300 2.396 2.294 2.596 . 0 0 "[ . 1 . 2]" 2 647 1 136 ILE HB 1 137 MET H 3.700 . 5.000 2.257 1.849 2.842 . 0 0 "[ . 1 . 2]" 2 648 1 136 ILE H 1 136 ILE MD 3.300 . 4.400 3.427 3.218 3.770 . 0 0 "[ . 1 . 2]" 2 649 1 136 ILE H 1 136 ILE QG 3.400 . 4.500 2.360 1.946 2.576 . 0 0 "[ . 1 . 2]" 2 650 1 136 ILE H 1 136 ILE MG 3.800 . 5.200 3.747 3.710 3.791 . 0 0 "[ . 1 . 2]" 2 651 1 137 MET HA 1 138 GLY H 4.000 . 5.400 3.443 3.364 3.494 . 0 0 "[ . 1 . 2]" 2 652 1 137 MET HA 1 140 THR H 3.900 2.500 5.300 3.326 3.126 3.583 . 0 0 "[ . 1 . 2]" 2 653 1 137 MET HA 1 141 LEU H 4.400 2.900 5.900 4.076 3.787 4.523 . 0 0 "[ . 1 . 2]" 2 654 1 137 MET QB 1 138 GLY H 3.500 . 4.800 2.874 2.622 3.628 . 0 0 "[ . 1 . 2]" 2 655 1 137 MET H 1 137 MET ME 4.100 . 5.500 4.530 4.038 4.792 . 0 0 "[ . 1 . 2]" 2 656 1 137 MET H 1 137 MET QG 3.500 . 4.800 2.418 1.814 4.078 . 0 0 "[ . 1 . 2]" 2 657 1 138 GLY QA 1 139 TRP H 3.500 . 4.800 2.634 2.547 2.702 . 0 0 "[ . 1 . 2]" 2 658 1 138 GLY H 1 141 LEU QD 4.100 . 5.100 4.784 4.212 5.102 0.002 8 0 "[ . 1 . 2]" 2 659 1 139 TRP HA 1 139 TRP HE1 3.700 . 5.000 4.718 4.549 4.807 . 0 0 "[ . 1 . 2]" 2 660 1 139 TRP HA 1 140 THR H 4.400 . 5.900 3.451 3.377 3.486 . 0 0 "[ . 1 . 2]" 2 661 1 139 TRP HA 1 142 ASP H 3.700 2.400 5.000 3.455 3.241 3.674 . 0 0 "[ . 1 . 2]" 2 662 1 139 TRP H 1 139 TRP QB 3.300 . 4.400 2.527 2.378 2.634 . 0 0 "[ . 1 . 2]" 2 663 1 139 TRP QB 1 140 THR H 3.800 . 5.100 3.018 2.893 3.203 . 0 0 "[ . 1 . 2]" 2 664 1 139 TRP H 1 139 TRP HD1 3.800 . 5.200 3.324 2.780 4.266 . 0 0 "[ . 1 . 2]" 2 665 1 139 TRP H 1 139 TRP HE3 4.500 . 6.000 4.410 3.910 4.867 . 0 0 "[ . 1 . 2]" 2 666 1 139 TRP H 1 140 THR HA 4.700 . 6.400 4.708 4.474 5.009 . 0 0 "[ . 1 . 2]" 2 667 1 140 THR HA 1 141 LEU H 3.800 . 5.200 2.481 1.893 3.178 . 0 0 "[ . 1 . 2]" 2 668 1 140 THR H 1 140 THR MG 3.500 . 4.800 3.226 2.043 3.794 . 0 0 "[ . 1 . 2]" 2 669 1 140 THR H 1 141 LEU QD 4.700 . 6.400 4.536 3.510 4.806 . 0 0 "[ . 1 . 2]" 2 670 1 140 THR H 1 141 LEU HG 4.300 . 5.800 4.805 4.155 5.906 0.106 6 0 "[ . 1 . 2]" 2 671 1 141 LEU HA 1 142 ASP H 4.100 . 5.500 3.472 3.426 3.510 . 0 0 "[ . 1 . 2]" 2 672 1 141 LEU HA 1 144 LEU H 4.000 2.600 5.400 3.237 2.988 3.457 . 0 0 "[ . 1 . 2]" 2 673 1 141 LEU H 1 141 LEU QB 3.500 . 4.800 2.473 2.291 2.648 . 0 0 "[ . 1 . 2]" 2 674 1 141 LEU QB 1 142 ASP H 3.700 . 5.000 2.916 2.760 3.068 . 0 0 "[ . 1 . 2]" 2 675 1 141 LEU H 1 141 LEU QD 3.400 . 4.500 2.810 1.820 3.053 . 0 0 "[ . 1 . 2]" 2 676 1 141 LEU QD 1 144 LEU H 4.000 . 5.000 4.732 4.236 5.056 0.056 6 0 "[ . 1 . 2]" 2 677 1 141 LEU H 1 141 LEU HG 3.300 . 4.400 2.350 1.818 3.786 . 0 0 "[ . 1 . 2]" 2 678 1 142 ASP HA 1 143 PHE H 3.900 . 5.300 3.560 3.515 3.587 . 0 0 "[ . 1 . 2]" 2 679 1 142 ASP HA 1 145 ARG H 4.000 2.600 5.400 3.883 3.576 4.190 . 0 0 "[ . 1 . 2]" 2 680 1 142 ASP H 1 142 ASP QB 3.200 . 4.300 2.317 2.252 2.430 . 0 0 "[ . 1 . 2]" 2 681 1 142 ASP QB 1 143 PHE H 3.800 . 5.100 2.321 2.002 2.718 . 0 0 "[ . 1 . 2]" 2 682 1 142 ASP H 1 143 PHE HA 4.600 . 6.300 5.367 5.237 5.472 . 0 0 "[ . 1 . 2]" 2 683 1 142 ASP H 1 143 PHE QB 4.300 . 5.800 4.441 4.317 4.588 . 0 0 "[ . 1 . 2]" 2 684 1 143 PHE HA 1 144 LEU H 4.400 . 5.900 3.571 3.544 3.602 . 0 0 "[ . 1 . 2]" 2 685 1 143 PHE HA 1 146 GLU H 4.200 2.700 5.700 3.489 3.225 3.721 . 0 0 "[ . 1 . 2]" 2 686 1 143 PHE HA 1 147 ARG H 4.200 2.800 5.600 3.373 3.105 3.594 . 0 0 "[ . 1 . 2]" 2 687 1 143 PHE H 1 143 PHE QB 3.400 . 4.700 2.257 2.142 2.302 . 0 0 "[ . 1 . 2]" 2 688 1 143 PHE QB 1 144 LEU H 3.800 . 5.100 2.649 2.264 2.838 . 0 0 "[ . 1 . 2]" 2 689 1 143 PHE H 1 143 PHE QD 4.600 . 6.100 4.172 3.853 4.223 . 0 0 "[ . 1 . 2]" 2 690 1 143 PHE H 1 144 LEU HA 4.500 . 6.000 5.285 5.132 5.477 . 0 0 "[ . 1 . 2]" 2 691 1 143 PHE H 1 144 LEU QB 4.500 . 6.000 4.427 4.235 4.797 . 0 0 "[ . 1 . 2]" 2 692 1 144 LEU HA 1 148 LEU H 3.900 2.500 5.300 2.688 2.500 2.986 0.000 4 0 "[ . 1 . 2]" 2 693 1 144 LEU H 1 144 LEU QB 3.400 . 4.400 2.173 2.052 2.269 . 0 0 "[ . 1 . 2]" 2 694 1 144 LEU QB 1 145 ARG H 3.600 . 4.900 2.542 2.227 2.954 . 0 0 "[ . 1 . 2]" 2 695 1 144 LEU H 1 144 LEU QD 3.800 . 5.100 3.568 2.141 3.789 . 0 0 "[ . 1 . 2]" 2 696 1 144 LEU QD 1 149 LEU H 4.100 . 5.100 3.994 2.452 5.150 0.050 9 0 "[ . 1 . 2]" 2 697 1 145 ARG HA 1 149 LEU H 4.000 2.600 5.400 5.054 4.583 5.518 0.118 17 0 "[ . 1 . 2]" 2 698 1 145 ARG H 1 145 ARG QB 3.500 . 4.700 2.254 2.118 2.350 . 0 0 "[ . 1 . 2]" 2 699 1 145 ARG QB 1 146 GLU H 3.900 . 5.300 2.759 2.499 3.557 . 0 0 "[ . 1 . 2]" 2 700 1 145 ARG H 1 145 ARG QD 3.900 . 5.300 4.453 3.679 4.704 . 0 0 "[ . 1 . 2]" 2 701 1 145 ARG H 1 145 ARG QG 4.200 . 5.600 3.805 2.491 3.986 . 0 0 "[ . 1 . 2]" 2 702 1 146 GLU HA 1 147 ARG H 3.600 . 4.900 3.616 3.554 3.645 . 0 0 "[ . 1 . 2]" 2 703 1 146 GLU H 1 146 GLU QB 3.100 . 4.200 2.430 2.287 2.633 . 0 0 "[ . 1 . 2]" 2 704 1 146 GLU QB 1 147 ARG H 3.500 . 4.700 2.621 2.214 3.423 . 0 0 "[ . 1 . 2]" 2 705 1 146 GLU H 1 146 GLU QG 3.300 . 4.400 2.444 1.900 3.970 . 0 0 "[ . 1 . 2]" 2 706 1 146 GLU QG 1 147 ARG H 4.100 . 5.600 3.959 1.797 4.349 . 0 0 "[ . 1 . 2]" 2 707 1 146 GLU H 1 147 ARG QB 4.700 . 6.400 4.885 4.522 5.231 . 0 0 "[ . 1 . 2]" 2 708 1 147 ARG H 1 147 ARG QB 3.600 . 4.500 2.424 2.203 2.637 . 0 0 "[ . 1 . 2]" 2 709 1 147 ARG QB 1 148 LEU H 4.200 . 5.700 2.455 2.376 2.622 . 0 0 "[ . 1 . 2]" 2 710 1 147 ARG H 1 147 ARG QD 4.800 . 6.500 3.891 1.921 4.639 . 0 0 "[ . 1 . 2]" 2 711 1 147 ARG H 1 147 ARG QG 3.400 . 4.500 2.802 1.859 4.077 . 0 0 "[ . 1 . 2]" 2 712 1 147 ARG H 1 148 LEU QB 4.700 . 6.400 4.418 4.057 4.907 . 0 0 "[ . 1 . 2]" 2 713 1 147 ARG H 1 148 LEU QD 4.200 . 5.600 4.553 3.948 5.105 . 0 0 "[ . 1 . 2]" 2 714 1 148 LEU HA 1 149 LEU H 4.200 . 5.700 2.997 2.880 3.074 . 0 0 "[ . 1 . 2]" 2 715 1 148 LEU HA 1 151 TRP H 3.900 2.500 5.300 3.698 3.382 4.067 . 0 0 "[ . 1 . 2]" 2 716 1 148 LEU QB 1 149 LEU H 4.500 . 6.000 3.027 1.694 3.855 . 0 0 "[ . 1 . 2]" 2 717 1 148 LEU H 1 148 LEU QD 3.900 . 5.200 2.978 2.271 3.450 . 0 0 "[ . 1 . 2]" 2 718 1 148 LEU QD 1 151 TRP H 4.100 . 5.100 4.718 3.746 5.127 0.027 11 0 "[ . 1 . 2]" 2 719 1 148 LEU QD 1 152 ILE H 4.400 . 5.500 4.685 2.973 5.429 . 0 0 "[ . 1 . 2]" 2 720 1 148 LEU H 1 149 LEU QB 4.100 . 5.500 4.319 4.177 4.419 . 0 0 "[ . 1 . 2]" 2 721 1 148 LEU H 1 149 LEU QD 4.500 . 6.000 5.343 4.470 5.574 . 0 0 "[ . 1 . 2]" 2 722 1 149 LEU HA 1 150 GLY H 4.100 . 5.500 3.589 3.569 3.609 . 0 0 "[ . 1 . 2]" 2 723 1 149 LEU HA 1 152 ILE H 4.100 2.700 5.500 3.570 3.382 3.811 . 0 0 "[ . 1 . 2]" 2 724 1 149 LEU H 1 149 LEU QB 3.000 . 4.100 2.699 2.397 3.142 . 0 0 "[ . 1 . 2]" 2 725 1 149 LEU QB 1 150 GLY H 3.300 . 4.400 2.242 1.982 2.537 . 0 0 "[ . 1 . 2]" 2 726 1 149 LEU H 1 149 LEU QD 3.400 . 4.500 3.863 3.486 4.107 . 0 0 "[ . 1 . 2]" 2 727 1 150 GLY QA 1 151 TRP H 3.700 . 5.000 2.703 2.488 2.850 . 0 0 "[ . 1 . 2]" 2 728 1 151 TRP HA 1 151 TRP HE1 4.800 . 6.500 4.941 4.610 5.364 . 0 0 "[ . 1 . 2]" 2 729 1 151 TRP HA 1 152 ILE H 4.600 . 6.100 3.544 3.527 3.579 . 0 0 "[ . 1 . 2]" 2 730 1 151 TRP HA 1 154 ASP H 3.800 2.500 5.100 3.452 3.097 3.827 . 0 0 "[ . 1 . 2]" 2 731 1 151 TRP HA 1 155 GLN H 4.300 2.800 5.800 4.769 4.316 5.164 . 0 0 "[ . 1 . 2]" 2 732 1 151 TRP H 1 151 TRP QB 3.200 . 4.300 2.302 2.143 2.659 . 0 0 "[ . 1 . 2]" 2 733 1 151 TRP QB 1 152 ILE H 4.000 . 5.400 2.776 2.552 2.910 . 0 0 "[ . 1 . 2]" 2 734 1 151 TRP H 1 152 ILE HB 4.800 . 6.500 4.962 4.525 5.261 . 0 0 "[ . 1 . 2]" 2 735 1 152 ILE HA 1 153 GLN H 4.300 . 5.800 3.519 3.451 3.599 . 0 0 "[ . 1 . 2]" 2 736 1 152 ILE HA 1 155 GLN H 3.700 2.400 5.000 3.494 3.206 3.975 . 0 0 "[ . 1 . 2]" 2 737 1 152 ILE H 1 152 ILE HB 3.400 . 4.500 2.523 2.257 2.686 . 0 0 "[ . 1 . 2]" 2 738 1 152 ILE HB 1 153 GLN H 3.800 . 5.100 2.751 2.186 3.670 . 0 0 "[ . 1 . 2]" 2 739 1 152 ILE H 1 152 ILE MD 3.600 . 4.900 3.611 3.447 4.206 . 0 0 "[ . 1 . 2]" 2 740 1 152 ILE H 1 152 ILE QG 3.700 . 5.000 2.220 1.815 3.883 . 0 0 "[ . 1 . 2]" 2 741 1 152 ILE H 1 152 ILE MG 3.500 . 4.800 3.735 2.683 3.812 . 0 0 "[ . 1 . 2]" 2 742 1 152 ILE MG 1 156 GLY H 4.400 . 5.500 4.196 3.496 5.199 . 0 0 "[ . 1 . 2]" 2 743 1 153 GLN HA 1 154 ASP H 4.000 . 5.400 3.569 3.549 3.590 . 0 0 "[ . 1 . 2]" 2 744 1 153 GLN HA 1 155 GLN H 4.600 3.100 6.100 3.977 3.571 4.600 . 0 0 "[ . 1 . 2]" 2 745 1 153 GLN HA 1 156 GLY H 3.900 2.500 5.300 3.323 3.087 3.818 . 0 0 "[ . 1 . 2]" 2 746 1 153 GLN HA 1 157 GLY H 4.000 2.600 5.400 4.494 3.492 5.419 0.019 10 0 "[ . 1 . 2]" 2 747 1 153 GLN H 1 153 GLN QB 3.200 . 4.300 2.345 2.096 2.941 . 0 0 "[ . 1 . 2]" 2 748 1 153 GLN QB 1 154 ASP H 3.600 . 4.800 2.685 2.474 3.412 . 0 0 "[ . 1 . 2]" 2 749 1 153 GLN QB 1 156 GLY H 4.800 . 6.000 4.887 4.565 5.092 . 0 0 "[ . 1 . 2]" 2 750 1 153 GLN H 1 153 GLN QG 3.400 . 4.700 3.225 1.714 4.032 . 0 0 "[ . 1 . 2]" 2 751 1 154 ASP HA 1 155 GLN H 3.400 . 4.500 3.484 3.382 3.578 . 0 0 "[ . 1 . 2]" 2 752 1 154 ASP HA 1 156 GLY H 3.900 2.500 5.300 4.432 3.358 4.870 . 0 0 "[ . 1 . 2]" 2 753 1 154 ASP H 1 154 ASP QB 3.200 . 4.300 2.396 2.270 2.576 . 0 0 "[ . 1 . 2]" 2 754 1 154 ASP QB 1 155 GLN H 3.500 . 4.800 2.799 2.264 3.209 . 0 0 "[ . 1 . 2]" 2 755 1 154 ASP QB 1 156 GLY H 4.800 . 6.500 4.910 4.247 5.266 . 0 0 "[ . 1 . 2]" 2 756 1 154 ASP QB 1 155 GLN QE 4.500 . 6.000 5.428 3.321 6.781 0.781 6 3 "[- .+* 1 . 2]" 2 757 1 155 GLN HA 1 155 GLN QE 4.500 . 6.000 3.801 2.015 5.159 . 0 0 "[ . 1 . 2]" 2 758 1 155 GLN HA 1 156 GLY H 3.600 . 4.900 3.528 3.223 3.578 . 0 0 "[ . 1 . 2]" 2 759 1 155 GLN H 1 155 GLN QB 3.600 . 4.500 2.360 2.199 2.635 . 0 0 "[ . 1 . 2]" 2 760 1 155 GLN QB 1 156 GLY H 4.400 . 5.400 2.575 2.306 3.910 . 0 0 "[ . 1 . 2]" 2 761 1 155 GLN QB 1 157 GLY H 4.800 . 6.500 2.878 2.466 3.471 . 0 0 "[ . 1 . 2]" 2 762 1 155 GLN H 1 155 GLN QG 3.600 . 4.900 3.329 1.761 4.107 . 0 0 "[ . 1 . 2]" 2 763 1 155 GLN H 1 156 GLY QA 4.700 . 6.400 4.515 4.311 4.724 . 0 0 "[ . 1 . 2]" 2 764 1 156 GLY QA 1 157 GLY H 3.900 . 5.300 2.760 2.561 2.960 . 0 0 "[ . 1 . 2]" 2 765 1 156 GLY H 1 157 GLY QA 4.100 . 5.500 4.000 3.872 4.511 . 0 0 "[ . 1 . 2]" 2 766 1 157 GLY QA 1 158 TRP H 3.600 . 4.900 2.286 2.202 2.336 . 0 0 "[ . 1 . 2]" 2 767 1 157 GLY QA 1 159 ASP H 4.400 . 5.900 2.995 2.823 3.299 . 0 0 "[ . 1 . 2]" 2 768 1 158 TRP HA 1 159 ASP H 3.800 . 5.100 3.423 3.359 3.529 . 0 0 "[ . 1 . 2]" 2 769 1 158 TRP HA 1 160 GLY H 4.000 2.600 5.400 3.724 3.474 3.990 . 0 0 "[ . 1 . 2]" 2 770 1 158 TRP HA 1 161 LEU H 4.700 3.000 6.400 3.122 2.998 3.322 0.002 1 0 "[ . 1 . 2]" 2 771 1 158 TRP QB 1 159 ASP H 4.100 . 5.500 3.238 3.059 3.335 . 0 0 "[ . 1 . 2]" 2 772 1 158 TRP H 1 158 TRP HD1 4.300 . 5.800 2.545 1.838 2.976 . 0 0 "[ . 1 . 2]" 2 773 1 158 TRP H 1 159 ASP QB 3.700 . 5.000 4.872 4.567 5.059 0.059 14 0 "[ . 1 . 2]" 2 774 1 159 ASP HA 1 160 GLY H 3.700 . 5.000 3.515 3.463 3.541 . 0 0 "[ . 1 . 2]" 2 775 1 159 ASP HA 1 161 LEU H 4.500 3.000 6.000 3.955 3.742 4.129 . 0 0 "[ . 1 . 2]" 2 776 1 159 ASP HA 1 162 LEU H 3.900 2.500 5.300 3.345 3.127 3.624 . 0 0 "[ . 1 . 2]" 2 777 1 159 ASP HA 1 163 SER H 4.700 3.000 6.400 4.076 3.759 4.502 . 0 0 "[ . 1 . 2]" 2 778 1 159 ASP H 1 159 ASP QB 2.900 . 3.900 2.431 2.249 2.588 . 0 0 "[ . 1 . 2]" 2 779 1 159 ASP QB 1 160 GLY H 3.300 . 4.400 2.887 2.669 3.522 . 0 0 "[ . 1 . 2]" 2 780 1 159 ASP QB 1 162 LEU H 4.700 . 5.900 4.878 4.513 5.239 . 0 0 "[ . 1 . 2]" 2 781 1 159 ASP H 1 160 GLY QA 4.300 . 5.800 4.561 4.448 4.671 . 0 0 "[ . 1 . 2]" 2 782 1 160 GLY QA 1 161 LEU H 3.800 . 5.100 2.802 2.757 2.834 . 0 0 "[ . 1 . 2]" 2 783 1 160 GLY QA 1 163 SER H 4.500 . 5.600 3.125 2.922 3.360 . 0 0 "[ . 1 . 2]" 2 784 1 160 GLY H 1 161 LEU QD 4.600 . 6.100 5.190 3.707 5.657 . 0 0 "[ . 1 . 2]" 2 785 1 161 LEU HA 1 162 LEU H 4.500 . 6.000 3.581 3.552 3.657 . 0 0 "[ . 1 . 2]" 2 786 1 161 LEU HA 1 164 TYR H 4.000 2.600 5.400 3.915 3.653 4.128 . 0 0 "[ . 1 . 2]" 2 787 1 161 LEU HA 1 165 PHE H 4.800 3.100 6.500 4.756 4.330 5.295 . 0 0 "[ . 1 . 2]" 2 788 1 161 LEU H 1 161 LEU QB 3.500 . 4.800 2.157 2.074 2.260 . 0 0 "[ . 1 . 2]" 2 789 1 161 LEU QB 1 162 LEU H 4.300 . 5.800 2.347 2.139 2.549 . 0 0 "[ . 1 . 2]" 2 790 1 161 LEU H 1 161 LEU QD 3.900 . 4.900 3.377 2.125 3.786 . 0 0 "[ . 1 . 2]" 2 791 1 161 LEU H 1 161 LEU HG 4.200 . 5.600 4.335 3.952 4.590 . 0 0 "[ . 1 . 2]" 2 792 1 162 LEU HA 1 163 SER H 4.500 . 6.000 3.540 3.508 3.573 . 0 0 "[ . 1 . 2]" 2 793 1 162 LEU HA 1 165 PHE H 4.200 2.800 5.600 3.076 2.876 3.362 . 0 0 "[ . 1 . 2]" 2 794 1 162 LEU H 1 162 LEU QB 3.100 . 4.200 2.155 1.985 2.263 . 0 0 "[ . 1 . 2]" 2 795 1 162 LEU QB 1 163 SER H 3.400 . 4.500 2.789 2.569 2.958 . 0 0 "[ . 1 . 2]" 2 796 1 162 LEU H 1 162 LEU HG 3.200 . 4.300 3.963 2.674 4.435 0.135 3 0 "[ . 1 . 2]" 2 797 1 162 LEU H 1 163 SER QB 4.400 . 5.900 4.536 4.327 4.885 . 0 0 "[ . 1 . 2]" 2 798 1 163 SER HA 1 166 GLY H 4.200 2.700 5.700 5.242 4.038 5.766 0.066 19 0 "[ . 1 . 2]" 2 799 1 163 SER H 1 163 SER QB 3.000 . 4.000 2.380 2.195 2.631 . 0 0 "[ . 1 . 2]" 2 800 1 163 SER QB 1 164 TYR H 3.300 . 4.400 2.920 2.606 3.539 . 0 0 "[ . 1 . 2]" 2 801 1 164 TYR HA 1 165 PHE H 4.100 . 5.500 3.543 3.512 3.583 . 0 0 "[ . 1 . 2]" 2 802 1 164 TYR H 1 164 TYR QB 3.500 . 4.800 2.283 2.244 2.320 . 0 0 "[ . 1 . 2]" 2 803 1 164 TYR QB 1 165 PHE H 4.000 . 5.400 2.655 2.414 2.775 . 0 0 "[ . 1 . 2]" 2 804 1 164 TYR H 1 164 TYR QD 4.200 . 5.700 4.192 4.111 4.245 . 0 0 "[ . 1 . 2]" 2 805 1 165 PHE HA 1 166 GLY H 4.600 . 6.300 2.868 2.480 3.569 . 0 0 "[ . 1 . 2]" 2 806 1 165 PHE QB 1 166 GLY H 4.900 . 6.600 3.608 1.715 4.010 . 0 0 "[ . 1 . 2]" 2 807 1 165 PHE H 1 165 PHE QD 4.300 . 5.800 3.040 2.085 4.129 . 0 0 "[ . 1 . 2]" 2 808 1 171 GLN HA 1 172 THR H 4.100 . 5.500 3.480 3.412 3.601 . 0 0 "[ . 1 . 2]" 2 809 1 171 GLN QB 1 172 THR H 3.600 . 4.900 2.998 2.449 3.775 . 0 0 "[ . 1 . 2]" 2 810 1 172 THR HA 1 175 ILE H 4.700 3.000 6.400 3.421 3.221 3.594 . 0 0 "[ . 1 . 2]" 2 811 1 172 THR H 1 172 THR HB 3.200 . 4.300 2.536 2.242 3.618 . 0 0 "[ . 1 . 2]" 2 812 1 172 THR HB 1 173 VAL H 4.500 . 6.000 2.813 2.209 4.271 . 0 0 "[ . 1 . 2]" 2 813 1 172 THR H 1 172 THR MG 3.200 . 4.300 3.459 1.724 3.768 . 0 0 "[ . 1 . 2]" 2 814 1 172 THR H 1 173 VAL QG 3.800 . 5.200 3.961 3.059 4.304 . 0 0 "[ . 1 . 2]" 2 815 1 172 THR H 1 175 ILE HB 4.500 3.000 6.000 5.692 5.163 7.487 1.487 20 2 "[ -. 1 . +]" 2 816 1 172 THR H 1 175 ILE MD 4.400 . 5.500 4.570 4.385 4.715 . 0 0 "[ . 1 . 2]" 2 817 1 173 VAL HA 1 174 THR H 4.700 . 6.400 3.547 3.517 3.588 . 0 0 "[ . 1 . 2]" 2 818 1 173 VAL HA 1 176 PHE H 4.000 2.600 5.400 3.279 3.050 3.577 . 0 0 "[ . 1 . 2]" 2 819 1 173 VAL H 1 173 VAL HB 4.000 . 5.400 2.576 2.217 3.586 . 0 0 "[ . 1 . 2]" 2 820 1 173 VAL HB 1 174 THR H 3.700 . 5.000 3.036 2.583 3.816 . 0 0 "[ . 1 . 2]" 2 821 1 173 VAL H 1 173 VAL QG 3.500 . 4.800 2.143 1.655 2.687 . 0 0 "[ . 1 . 2]" 2 822 1 174 THR HA 1 175 ILE H 4.300 . 5.800 3.563 3.542 3.587 . 0 0 "[ . 1 . 2]" 2 823 1 174 THR H 1 174 THR HB 4.100 . 5.500 3.278 2.593 3.627 . 0 0 "[ . 1 . 2]" 2 824 1 174 THR H 1 174 THR MG 3.800 . 5.100 2.768 1.993 3.776 . 0 0 "[ . 1 . 2]" 2 825 1 175 ILE HA 1 176 PHE H 4.100 . 5.500 3.455 3.421 3.499 . 0 0 "[ . 1 . 2]" 2 826 1 175 ILE H 1 175 ILE HB 3.400 . 4.500 2.551 2.346 3.627 . 0 0 "[ . 1 . 2]" 2 827 1 175 ILE HB 1 176 PHE H 3.400 . 4.700 3.108 2.928 3.956 . 0 0 "[ . 1 . 2]" 2 828 1 175 ILE H 1 175 ILE MD 3.800 . 5.100 3.398 3.296 3.545 . 0 0 "[ . 1 . 2]" 2 829 1 175 ILE H 1 175 ILE QG 3.500 . 4.800 2.185 1.723 2.440 . 0 0 "[ . 1 . 2]" 2 830 1 175 ILE H 1 175 ILE MG 3.800 . 5.100 3.639 2.444 3.785 . 0 0 "[ . 1 . 2]" 2 831 1 176 PHE HA 1 177 VAL H 4.700 . 6.400 3.584 3.564 3.607 . 0 0 "[ . 1 . 2]" 2 832 1 176 PHE HA 1 179 GLY H 4.300 2.800 5.800 4.011 3.615 4.408 . 0 0 "[ . 1 . 2]" 2 833 1 176 PHE H 1 176 PHE QB 3.600 . 4.900 2.217 2.090 2.275 . 0 0 "[ . 1 . 2]" 2 834 1 176 PHE QB 1 177 VAL H 4.100 . 5.500 2.001 1.782 2.290 . 0 0 "[ . 1 . 2]" 2 835 1 176 PHE H 1 177 VAL QG 4.500 . 6.000 3.966 3.481 4.606 . 0 0 "[ . 1 . 2]" 2 836 1 177 VAL H 1 177 VAL HB 3.700 . 5.000 2.943 2.339 3.629 . 0 0 "[ . 1 . 2]" 2 837 1 177 VAL H 1 177 VAL QG 3.200 . 4.300 1.995 1.709 2.347 . 0 0 "[ . 1 . 2]" 2 838 1 178 ALA HA 1 179 GLY H 4.400 . 5.900 3.572 3.540 3.588 . 0 0 "[ . 1 . 2]" 2 839 1 178 ALA HA 1 181 LEU H 4.500 3.000 6.000 3.590 3.345 3.926 . 0 0 "[ . 1 . 2]" 2 840 1 178 ALA H 1 178 ALA MB 3.400 . 4.500 2.271 2.238 2.315 . 0 0 "[ . 1 . 2]" 2 841 1 178 ALA MB 1 179 GLY H 3.300 . 4.400 2.348 2.218 2.515 . 0 0 "[ . 1 . 2]" 2 842 1 179 GLY QA 1 180 VAL H 3.700 . 5.000 2.767 2.584 2.857 . 0 0 "[ . 1 . 2]" 2 843 1 179 GLY QA 1 182 THR H 4.200 . 5.200 3.733 3.532 4.038 . 0 0 "[ . 1 . 2]" 2 844 1 179 GLY QA 1 183 ALA H 4.200 . 5.300 4.204 3.927 4.408 . 0 0 "[ . 1 . 2]" 2 845 1 180 VAL HA 1 181 LEU H 4.200 . 5.700 3.550 3.508 3.569 . 0 0 "[ . 1 . 2]" 2 846 1 180 VAL HA 1 183 ALA H 4.000 2.600 5.400 3.338 3.117 3.543 . 0 0 "[ . 1 . 2]" 2 847 1 180 VAL H 1 180 VAL HB 3.200 . 4.300 2.755 2.356 3.649 . 0 0 "[ . 1 . 2]" 2 848 1 180 VAL HB 1 181 LEU H 3.600 . 4.900 3.260 2.475 4.149 . 0 0 "[ . 1 . 2]" 2 849 1 180 VAL H 1 180 VAL QG 3.400 . 4.500 2.135 1.702 2.486 . 0 0 "[ . 1 . 2]" 2 850 1 181 LEU HA 1 182 THR H 4.000 . 5.400 3.515 3.490 3.534 . 0 0 "[ . 1 . 2]" 2 851 1 181 LEU HA 1 184 SER H 4.000 2.600 5.400 3.784 3.585 4.056 . 0 0 "[ . 1 . 2]" 2 852 1 181 LEU H 1 181 LEU QB 3.600 . 4.900 2.211 2.052 2.319 . 0 0 "[ . 1 . 2]" 2 853 1 181 LEU QB 1 182 THR H 3.900 . 5.300 2.607 2.159 2.819 . 0 0 "[ . 1 . 2]" 2 854 1 181 LEU H 1 181 LEU QD 3.900 . 5.300 3.436 2.866 3.748 . 0 0 "[ . 1 . 2]" 2 855 1 182 THR HA 1 183 ALA H 4.600 . 6.300 3.545 3.521 3.566 . 0 0 "[ . 1 . 2]" 2 856 1 182 THR HA 1 185 LEU H 3.900 2.500 5.300 3.251 3.057 3.607 . 0 0 "[ . 1 . 2]" 2 857 1 182 THR H 1 182 THR HB 3.700 . 5.000 3.093 2.510 3.647 . 0 0 "[ . 1 . 2]" 2 858 1 182 THR HB 1 183 ALA H 3.900 . 5.300 3.116 2.594 3.769 . 0 0 "[ . 1 . 2]" 2 859 1 182 THR H 1 182 THR MG 3.200 . 4.300 3.080 1.992 3.777 . 0 0 "[ . 1 . 2]" 2 860 1 182 THR MG 1 184 SER H 4.300 . 5.800 5.315 5.056 5.487 . 0 0 "[ . 1 . 2]" 2 861 1 182 THR MG 1 185 LEU H 4.000 . 5.000 4.686 4.283 5.033 0.033 4 0 "[ . 1 . 2]" 2 862 1 182 THR H 1 183 ALA MB 3.800 . 5.100 4.311 4.223 4.519 . 0 0 "[ . 1 . 2]" 2 863 1 183 ALA HA 1 184 SER H 3.900 . 5.300 3.560 3.539 3.597 . 0 0 "[ . 1 . 2]" 2 864 1 183 ALA HA 1 186 THR H 3.800 2.400 5.200 3.544 3.225 3.905 . 0 0 "[ . 1 . 2]" 2 865 1 183 ALA H 1 183 ALA MB 2.900 . 3.900 2.251 2.234 2.264 . 0 0 "[ . 1 . 2]" 2 866 1 183 ALA MB 1 184 SER H 3.000 . 4.100 2.390 2.116 2.635 . 0 0 "[ . 1 . 2]" 2 867 1 184 SER HA 1 187 ILE H 4.100 2.700 5.500 3.392 2.920 3.786 . 0 0 "[ . 1 . 2]" 2 868 1 184 SER H 1 184 SER QB 3.600 . 4.300 2.406 2.171 2.604 . 0 0 "[ . 1 . 2]" 2 869 1 184 SER QB 1 185 LEU H 4.000 . 5.300 2.769 2.457 3.464 . 0 0 "[ . 1 . 2]" 2 870 1 185 LEU HA 1 186 THR H 3.600 . 4.900 3.494 3.453 3.552 . 0 0 "[ . 1 . 2]" 2 871 1 185 LEU HA 1 188 TRP H 3.700 2.400 5.000 3.881 3.586 4.174 . 0 0 "[ . 1 . 2]" 2 872 1 185 LEU H 1 185 LEU QB 3.700 . 5.000 2.310 2.127 2.491 . 0 0 "[ . 1 . 2]" 2 873 1 185 LEU QB 1 186 THR H 3.900 . 5.300 2.752 2.556 2.872 . 0 0 "[ . 1 . 2]" 2 874 1 185 LEU H 1 185 LEU QD 3.800 . 4.300 3.133 1.972 3.686 . 0 0 "[ . 1 . 2]" 2 875 1 185 LEU QD 1 188 TRP H 4.100 . 5.100 4.887 4.632 5.195 0.095 20 0 "[ . 1 . 2]" 2 876 1 185 LEU H 1 186 THR HB 4.800 . 6.500 5.064 4.625 6.179 . 0 0 "[ . 1 . 2]" 2 877 1 186 THR HA 1 187 ILE H 3.200 . 4.300 3.538 3.422 3.682 . 0 0 "[ . 1 . 2]" 2 878 1 186 THR H 1 186 THR HB 3.000 . 4.100 2.781 2.545 3.653 . 0 0 "[ . 1 . 2]" 2 879 1 186 THR HB 1 187 ILE H 3.200 . 4.300 3.157 2.269 4.385 0.085 20 0 "[ . 1 . 2]" 2 880 1 186 THR H 1 187 ILE HB 4.800 . 6.500 5.265 4.373 6.422 . 0 0 "[ . 1 . 2]" 2 881 1 186 THR H 1 187 ILE MG 4.400 . 5.900 4.461 4.012 5.757 . 0 0 "[ . 1 . 2]" 2 882 1 187 ILE HA 1 188 TRP H 3.200 . 4.300 3.532 3.425 3.624 . 0 0 "[ . 1 . 2]" 2 883 1 187 ILE H 1 187 ILE HB 3.000 . 4.000 2.889 2.187 3.680 . 0 0 "[ . 1 . 2]" 2 884 1 187 ILE HB 1 188 TRP H 3.300 . 4.400 3.741 2.604 4.252 . 0 0 "[ . 1 . 2]" 2 885 1 187 ILE H 1 187 ILE MD 3.400 . 4.700 2.458 2.032 3.297 . 0 0 "[ . 1 . 2]" 2 886 1 187 ILE MD 1 188 TRP HE1 4.600 . 6.300 6.720 5.138 8.206 1.906 18 10 "[*** .** - * .**+ 2]" 2 887 1 187 ILE H 1 187 ILE QG 3.200 . 4.200 3.061 1.821 3.989 . 0 0 "[ . 1 . 2]" 2 888 1 187 ILE H 1 187 ILE MG 3.000 . 4.100 2.529 2.043 3.611 . 0 0 "[ . 1 . 2]" 2 889 1 187 ILE MG 1 188 TRP HE1 4.400 . 5.900 7.647 5.233 9.668 3.768 17 15 "[******* ** * **+*-2]" 2 890 1 187 ILE H 1 188 TRP HA 4.700 . 6.400 5.063 4.973 5.235 . 0 0 "[ . 1 . 2]" 2 891 1 187 ILE H 1 188 TRP QB 4.700 . 6.400 4.202 4.033 4.487 . 0 0 "[ . 1 . 2]" 2 892 1 188 TRP HA 1 189 LYS H 3.000 . 4.100 3.500 3.324 3.616 . 0 0 "[ . 1 . 2]" 2 893 1 188 TRP QB 1 188 TRP HE1 4.600 . 5.800 4.395 4.370 4.454 . 0 0 "[ . 1 . 2]" 2 894 1 188 TRP H 1 188 TRP QB 3.000 . 4.100 2.170 2.020 2.296 . 0 0 "[ . 1 . 2]" 2 895 1 188 TRP H 1 188 TRP HD1 3.700 . 5.000 4.478 3.841 5.005 0.005 2 0 "[ . 1 . 2]" 2 896 1 188 TRP H 1 188 TRP HE3 4.000 . 5.400 5.058 4.627 5.467 0.067 9 0 "[ . 1 . 2]" 2 897 1 189 LYS HA 1 190 LYS H 2.900 . 3.900 2.926 2.162 3.591 . 0 0 "[ . 1 . 2]" 2 898 1 189 LYS H 1 189 LYS QB 2.900 . 3.900 2.670 2.221 3.358 . 0 0 "[ . 1 . 2]" 2 899 1 189 LYS QB 1 190 LYS H 3.500 . 4.800 3.011 1.784 4.014 . 0 0 "[ . 1 . 2]" 2 900 1 189 LYS H 1 189 LYS QD 3.700 . 5.000 4.421 2.858 5.166 0.166 4 0 "[ . 1 . 2]" 2 901 1 189 LYS H 1 189 LYS QE 4.200 . 5.700 5.116 4.162 5.789 0.089 14 0 "[ . 1 . 2]" 2 902 1 189 LYS H 1 189 LYS QG 3.000 . 4.100 3.553 1.997 4.297 0.197 9 0 "[ . 1 . 2]" 2 903 1 190 LYS HA 1 191 MET H 3.000 . 4.100 2.956 2.166 3.588 . 0 0 "[ . 1 . 2]" 2 904 1 190 LYS QB 1 191 MET H 3.600 . 4.900 3.056 1.707 4.040 . 0 0 "[ . 1 . 2]" 2 905 1 190 LYS H 1 190 LYS QB 3.000 . 4.000 2.740 2.277 3.225 . 0 0 "[ . 1 . 2]" 2 906 1 190 LYS H 1 190 LYS QD 3.800 . 5.200 4.365 3.552 5.116 . 0 0 "[ . 1 . 2]" 2 907 1 190 LYS H 1 190 LYS QG 3.300 . 4.400 3.255 1.935 4.334 . 0 0 "[ . 1 . 2]" 2 908 1 190 LYS H 1 191 MET HA 4.500 . 6.000 5.032 4.080 5.788 . 0 0 "[ . 1 . 2]" 2 909 1 191 MET HA 1 192 GLY H 3.000 . 4.000 2.992 2.219 3.585 . 0 0 "[ . 1 . 2]" 2 910 1 191 MET H 1 191 MET QB 3.600 . 4.400 2.702 2.240 3.398 . 0 0 "[ . 1 . 2]" 2 911 1 191 MET QB 1 192 GLY H 3.900 . 5.300 2.791 1.724 4.052 . 0 0 "[ . 1 . 2]" 2 912 1 191 MET H 1 191 MET QG 3.800 . 5.000 2.869 1.742 4.158 . 0 0 "[ . 1 . 2]" 2 913 1 5 GLY QA 1 6 GLU HA 3.800 . 5.100 4.130 3.976 4.593 . 0 0 "[ . 1 . 2]" 2 914 1 5 GLY QA 1 6 GLU QG 3.900 . 5.300 4.871 2.941 5.481 0.181 20 0 "[ . 1 . 2]" 2 915 1 6 GLU HA 1 6 GLU QG 2.700 . 3.700 2.641 2.256 3.440 . 0 0 "[ . 1 . 2]" 2 916 1 6 GLU QG 1 7 GLN HA 3.300 . 4.400 4.204 3.700 4.469 0.069 14 0 "[ . 1 . 2]" 2 917 1 7 GLN HA 1 7 GLN QG 3.300 . 4.400 2.675 2.244 3.415 . 0 0 "[ . 1 . 2]" 2 918 1 7 GLN HA 1 8 PRO QD 2.600 . 3.500 2.282 2.030 3.494 . 0 0 "[ . 1 . 2]" 2 919 1 7 GLN QG 1 8 PRO QD 3.600 . 4.900 3.724 2.443 4.177 . 0 0 "[ . 1 . 2]" 2 920 1 8 PRO HA 1 8 PRO QD 3.400 . 4.600 3.401 3.338 3.479 . 0 0 "[ . 1 . 2]" 2 921 1 8 PRO QB 1 8 PRO QD 3.300 . 4.100 3.055 3.029 3.063 . 0 0 "[ . 1 . 2]" 2 922 1 9 ARG HA 1 10 GLY QA 3.600 . 4.900 4.093 3.961 4.365 . 0 0 "[ . 1 . 2]" 2 923 1 9 ARG HA 1 9 ARG QD 3.400 . 4.600 3.715 2.126 4.572 . 0 0 "[ . 1 . 2]" 2 924 1 9 ARG HA 1 9 ARG QG 3.000 . 4.000 2.814 2.240 3.379 . 0 0 "[ . 1 . 2]" 2 925 1 9 ARG QB 1 9 ARG QD 3.100 . 4.200 2.317 2.119 2.767 . 0 0 "[ . 1 . 2]" 2 926 1 11 GLY QA 1 13 PRO QD 2.900 . 3.900 4.305 2.877 5.538 1.638 3 10 "[* + * **1*** . * -]" 2 927 1 11 GLY QA 1 13 PRO QG 3.300 . 4.400 5.808 4.266 7.140 2.740 9 11 "[* * * *+1*** - * *]" 2 928 1 13 PRO HA 1 13 PRO QD 3.900 . 5.100 3.385 3.304 3.463 . 0 0 "[ . 1 . 2]" 2 929 1 13 PRO HA 1 13 PRO QG 3.300 . 4.400 3.407 3.259 3.544 . 0 0 "[ . 1 . 2]" 2 930 1 13 PRO HA 1 14 THR MG 4.100 . 5.600 4.408 3.383 5.257 . 0 0 "[ . 1 . 2]" 2 931 1 14 THR HA 1 14 THR MG 2.800 . 3.800 2.612 2.203 3.203 . 0 0 "[ . 1 . 2]" 2 932 1 14 THR MG 1 15 SER QB 4.700 . 6.300 5.346 4.151 5.886 . 0 0 "[ . 1 . 2]" 2 933 1 15 SER QB 1 18 GLN QG 4.200 . 5.300 3.893 2.362 5.327 0.027 10 0 "[ . 1 . 2]" 2 934 1 16 SER HA 1 149 LEU QD 3.200 . 4.000 3.261 2.273 3.993 . 0 0 "[ . 1 . 2]" 2 935 1 16 SER HA 1 19 ILE HB 3.800 2.500 5.100 3.101 2.487 3.742 0.013 3 0 "[ . 1 . 2]" 2 936 1 16 SER HA 1 19 ILE MD 3.600 . 4.900 2.362 2.249 2.588 . 0 0 "[ . 1 . 2]" 2 937 1 16 SER QB 1 149 LEU QD 2.800 . 3.800 2.529 2.019 3.292 . 0 0 "[ . 1 . 2]" 2 938 1 16 SER QB 1 17 GLU QB 3.600 . 4.900 4.337 3.825 4.932 0.032 1 0 "[ . 1 . 2]" 2 939 1 16 SER QB 1 17 GLU QG 3.900 . 5.300 5.485 4.219 6.265 0.965 11 6 "[* -* *1+ . * 2]" 2 940 1 17 GLU HA 1 17 GLU QG 2.800 . 3.800 2.641 2.300 3.309 . 0 0 "[ . 1 . 2]" 2 941 1 17 GLU HA 1 20 MET HA 4.400 2.900 5.900 5.441 4.922 5.979 0.079 11 0 "[ . 1 . 2]" 2 942 1 17 GLU HA 1 20 MET QB 3.600 . 4.500 2.801 2.369 3.759 . 0 0 "[ . 1 . 2]" 2 943 1 17 GLU QG 1 21 LYS QE 3.300 . 4.100 3.232 2.213 4.136 0.036 12 0 "[ . 1 . 2]" 2 944 1 18 GLN HA 1 18 GLN QG 3.100 . 4.200 2.414 2.252 3.277 . 0 0 "[ . 1 . 2]" 2 945 1 18 GLN HA 1 21 LYS QE 3.500 . 4.400 3.584 2.187 4.462 0.062 14 0 "[ . 1 . 2]" 2 946 1 18 GLN QG 1 19 ILE HA 4.500 . 6.100 5.375 3.718 5.919 . 0 0 "[ . 1 . 2]" 2 947 1 18 GLN QG 1 21 LYS QD 3.800 . 4.800 4.179 3.415 4.870 0.070 2 0 "[ . 1 . 2]" 2 948 1 19 ILE HA 1 152 ILE MG 4.400 . 5.500 4.831 3.773 5.411 . 0 0 "[ . 1 . 2]" 2 949 1 19 ILE HA 1 158 TRP HD1 3.500 . 4.700 3.388 2.925 4.047 . 0 0 "[ . 1 . 2]" 2 950 1 19 ILE HA 1 19 ILE MD 3.500 . 4.700 3.839 3.807 3.868 . 0 0 "[ . 1 . 2]" 2 951 1 19 ILE HA 1 19 ILE QG 3.800 . 5.100 2.413 2.330 2.530 . 0 0 "[ . 1 . 2]" 2 952 1 19 ILE HA 1 19 ILE MG 3.400 . 4.600 2.410 2.301 2.649 . 0 0 "[ . 1 . 2]" 2 953 1 19 ILE HA 1 22 THR HB 3.700 2.400 5.000 3.041 2.735 3.515 . 0 0 "[ . 1 . 2]" 2 954 1 19 ILE HA 1 22 THR MG 4.000 . 5.000 4.414 4.084 4.823 . 0 0 "[ . 1 . 2]" 2 955 1 19 ILE HB 1 149 LEU QD 3.300 . 4.400 2.931 2.501 3.219 . 0 0 "[ . 1 . 2]" 2 956 1 19 ILE HB 1 158 TRP HD1 4.600 3.000 6.200 5.961 5.654 6.250 0.050 17 0 "[ . 1 . 2]" 2 957 1 19 ILE HB 1 19 ILE MD 3.300 . 4.400 2.295 2.266 2.352 . 0 0 "[ . 1 . 2]" 2 958 1 19 ILE HB 1 20 MET QB 4.100 . 5.500 4.379 3.848 4.854 . 0 0 "[ . 1 . 2]" 2 959 1 19 ILE MD 1 149 LEU QD 3.000 . 4.000 2.719 2.166 3.619 . 0 0 "[ . 1 . 2]" 2 960 1 19 ILE MD 1 152 ILE MD 4.200 . 5.700 3.599 2.932 4.464 . 0 0 "[ . 1 . 2]" 2 961 1 19 ILE MD 1 152 ILE MG 3.100 . 4.200 2.381 2.017 2.830 . 0 0 "[ . 1 . 2]" 2 962 1 19 ILE MD 1 153 GLN HA 3.200 . 4.300 2.841 2.239 3.670 . 0 0 "[ . 1 . 2]" 2 963 1 19 ILE MD 1 153 GLN QB 3.500 . 4.400 3.327 2.268 4.267 . 0 0 "[ . 1 . 2]" 2 964 1 19 ILE MD 1 153 GLN QG 3.300 . 4.100 2.791 2.086 4.101 0.001 19 0 "[ . 1 . 2]" 2 965 1 19 ILE MD 1 157 GLY QA 4.000 . 5.100 3.221 2.496 4.024 . 0 0 "[ . 1 . 2]" 2 966 1 19 ILE MD 1 158 TRP HD1 4.300 . 5.400 5.071 4.694 5.395 . 0 0 "[ . 1 . 2]" 2 967 1 19 ILE MD 1 158 TRP HZ2 4.500 . 5.600 5.303 4.789 5.590 . 0 0 "[ . 1 . 2]" 2 968 1 19 ILE MD 1 19 ILE MG 2.900 . 3.900 1.905 1.855 1.979 . 0 0 "[ . 1 . 2]" 2 969 1 19 ILE QG 1 152 ILE MG 4.300 . 5.400 3.234 2.214 3.738 . 0 0 "[ . 1 . 2]" 2 970 1 19 ILE MG 1 144 LEU QD 3.200 . 4.000 3.015 2.394 4.050 0.050 17 0 "[ . 1 . 2]" 2 971 1 19 ILE MG 1 149 LEU HA 3.900 . 5.300 3.549 2.940 4.182 . 0 0 "[ . 1 . 2]" 2 972 1 19 ILE MG 1 149 LEU QD 2.900 . 3.900 2.695 2.181 3.054 . 0 0 "[ . 1 . 2]" 2 973 1 19 ILE MG 1 149 LEU HG 3.800 . 4.700 4.155 2.621 4.793 0.093 18 0 "[ . 1 . 2]" 2 974 1 19 ILE MG 1 152 ILE MD 3.500 . 4.700 2.538 2.099 3.209 . 0 0 "[ . 1 . 2]" 2 975 1 19 ILE MG 1 152 ILE MG 3.200 . 4.300 2.390 2.129 2.784 . 0 0 "[ . 1 . 2]" 2 976 1 19 ILE MG 1 158 TRP HD1 4.400 . 5.500 3.846 3.412 4.284 . 0 0 "[ . 1 . 2]" 2 977 1 19 ILE MG 1 158 TRP HZ2 4.500 . 5.600 2.574 2.228 2.859 . 0 0 "[ . 1 . 2]" 2 978 1 19 ILE MG 1 20 MET HA 4.200 . 5.700 3.500 3.034 4.001 . 0 0 "[ . 1 . 2]" 2 979 1 20 MET HA 1 144 LEU QD 3.600 . 4.900 3.593 2.427 4.414 . 0 0 "[ . 1 . 2]" 2 980 1 20 MET HA 1 20 MET ME 3.200 . 4.300 2.708 2.252 4.239 . 0 0 "[ . 1 . 2]" 2 981 1 20 MET HA 1 20 MET QG 3.800 . 5.100 2.575 2.210 3.287 . 0 0 "[ . 1 . 2]" 2 982 1 20 MET HA 1 21 LYS HA 4.700 3.100 6.300 4.796 4.712 4.852 . 0 0 "[ . 1 . 2]" 2 983 1 20 MET HA 1 23 GLY QA 4.700 . 6.300 3.926 3.620 4.350 . 0 0 "[ . 1 . 2]" 2 984 1 20 MET QB 1 20 MET ME 3.900 . 5.300 2.936 2.019 3.668 . 0 0 "[ . 1 . 2]" 2 985 1 20 MET QB 1 21 LYS QE 3.300 . 4.400 4.906 3.350 6.115 1.715 4 10 "[* +** 1*** . -**2]" 2 986 1 20 MET ME 1 141 LEU HA 3.400 . 4.200 3.289 2.418 4.118 . 0 0 "[ . 1 . 2]" 2 987 1 20 MET ME 1 141 LEU QB 3.500 . 4.400 2.552 2.142 2.952 . 0 0 "[ . 1 . 2]" 2 988 1 20 MET ME 1 141 LEU QD 3.000 . 3.900 2.431 1.948 3.052 . 0 0 "[ . 1 . 2]" 2 989 1 20 MET ME 1 142 ASP HA 4.000 . 5.400 4.789 4.344 5.078 . 0 0 "[ . 1 . 2]" 2 990 1 20 MET ME 1 144 LEU QD 2.900 . 3.900 2.818 2.186 3.680 . 0 0 "[ . 1 . 2]" 2 991 1 20 MET ME 1 144 LEU HG 3.700 . 4.600 4.191 2.102 4.716 0.116 1 0 "[ . 1 . 2]" 2 992 1 20 MET ME 1 145 ARG HA 3.500 . 4.400 3.307 2.355 4.247 . 0 0 "[ . 1 . 2]" 2 993 1 20 MET ME 1 145 ARG QD 3.200 . 4.300 3.156 2.266 3.968 . 0 0 "[ . 1 . 2]" 2 994 1 20 MET ME 1 145 ARG QG 3.900 . 4.900 3.174 2.327 3.938 . 0 0 "[ . 1 . 2]" 2 995 1 20 MET ME 1 20 MET QG 3.100 . 4.200 2.206 2.116 2.394 . 0 0 "[ . 1 . 2]" 2 996 1 20 MET ME 1 24 ALA MB 3.800 . 5.100 4.300 3.569 4.838 . 0 0 "[ . 1 . 2]" 2 997 1 20 MET QG 1 149 LEU QD 3.300 . 4.100 3.360 1.937 4.251 0.151 2 0 "[ . 1 . 2]" 2 998 1 20 MET QG 1 145 ARG QD 4.200 . 5.300 4.215 3.266 5.251 . 0 0 "[ . 1 . 2]" 2 999 1 21 LYS HA 1 21 LYS QE 3.400 . 4.600 4.382 3.841 4.679 0.079 3 0 "[ . 1 . 2]" 2 1000 1 21 LYS HA 1 21 LYS QG 3.300 . 4.500 2.329 2.234 2.409 . 0 0 "[ . 1 . 2]" 2 1001 1 21 LYS HA 1 24 ALA MB 3.100 . 3.900 3.029 2.687 3.463 . 0 0 "[ . 1 . 2]" 2 1002 1 21 LYS QB 1 25 LEU QD 3.500 . 4.400 3.789 2.781 4.490 0.090 12 0 "[ . 1 . 2]" 2 1003 1 22 THR HA 1 22 THR MG 3.100 . 4.200 2.298 2.227 2.377 . 0 0 "[ . 1 . 2]" 2 1004 1 22 THR HA 1 25 LEU QD 3.200 . 4.300 3.097 2.302 3.888 . 0 0 "[ . 1 . 2]" 2 1005 1 22 THR HA 1 25 LEU HG 3.900 . 5.300 4.328 2.609 5.373 0.073 5 0 "[ . 1 . 2]" 2 1006 1 22 THR HB 1 158 TRP HD1 3.500 . 4.700 3.000 2.423 3.743 . 0 0 "[ . 1 . 2]" 2 1007 1 22 THR MG 1 158 TRP QB 4.100 . 5.100 3.169 2.757 3.777 . 0 0 "[ . 1 . 2]" 2 1008 1 22 THR MG 1 158 TRP HD1 3.500 . 4.700 2.846 2.299 3.802 . 0 0 "[ . 1 . 2]" 2 1009 1 22 THR MG 1 23 GLY QA 4.400 . 5.900 3.592 3.258 4.242 . 0 0 "[ . 1 . 2]" 2 1010 1 22 THR MG 1 26 LEU QB 4.000 . 5.000 4.073 2.282 4.843 . 0 0 "[ . 1 . 2]" 2 1011 1 22 THR MG 1 26 LEU QD 3.100 . 4.200 2.208 1.972 2.602 . 0 0 "[ . 1 . 2]" 2 1012 1 22 THR MG 1 26 LEU HG 3.600 . 4.900 3.159 2.292 4.568 . 0 0 "[ . 1 . 2]" 2 1013 1 22 THR MG 1 56 THR MG 3.000 . 4.100 2.891 1.995 3.868 . 0 0 "[ . 1 . 2]" 2 1014 1 22 THR MG 1 59 LEU QD 3.300 . 4.500 3.738 3.062 4.254 . 0 0 "[ . 1 . 2]" 2 1015 1 23 GLY QA 1 141 LEU QD 4.300 . 5.400 3.558 3.028 4.288 . 0 0 "[ . 1 . 2]" 2 1016 1 23 GLY QA 1 144 LEU QD 3.500 . 4.400 2.918 2.497 3.369 . 0 0 "[ . 1 . 2]" 2 1017 1 23 GLY QA 1 158 TRP HZ2 4.100 . 5.500 2.599 2.287 3.181 . 0 0 "[ . 1 . 2]" 2 1018 1 24 ALA HA 1 137 MET ME 3.800 . 5.100 4.561 3.943 4.813 . 0 0 "[ . 1 . 2]" 2 1019 1 24 ALA HA 1 141 LEU QD 3.300 . 4.100 2.262 2.102 2.580 . 0 0 "[ . 1 . 2]" 2 1020 1 24 ALA HA 1 27 LEU QB 4.300 . 5.400 3.701 3.200 4.625 . 0 0 "[ . 1 . 2]" 2 1021 1 24 ALA HA 1 27 LEU QD 4.100 . 5.500 3.652 2.542 4.447 . 0 0 "[ . 1 . 2]" 2 1022 1 24 ALA MB 1 137 MET ME 3.300 . 4.400 4.145 3.884 4.288 . 0 0 "[ . 1 . 2]" 2 1023 1 24 ALA MB 1 141 LEU QD 2.800 . 3.800 2.123 1.973 2.276 . 0 0 "[ . 1 . 2]" 2 1024 1 24 ALA MB 1 25 LEU HA 3.900 . 5.300 3.868 3.826 3.927 . 0 0 "[ . 1 . 2]" 2 1025 1 24 ALA MB 1 25 LEU QB 3.900 . 5.300 4.112 3.802 4.463 . 0 0 "[ . 1 . 2]" 2 1026 1 25 LEU HA 1 25 LEU QD 3.100 . 3.900 2.193 1.936 2.624 . 0 0 "[ . 1 . 2]" 2 1027 1 25 LEU HA 1 25 LEU HG 3.500 . 4.700 2.895 2.266 3.638 . 0 0 "[ . 1 . 2]" 2 1028 1 25 LEU HA 1 28 GLN QG 4.000 . 5.400 3.983 2.267 4.565 . 0 0 "[ . 1 . 2]" 2 1029 1 25 LEU QB 1 56 THR MG 3.900 . 4.900 2.717 2.027 3.873 . 0 0 "[ . 1 . 2]" 2 1030 1 25 LEU QD 1 56 THR HB 3.700 . 4.600 4.000 2.914 4.636 0.036 5 0 "[ . 1 . 2]" 2 1031 1 25 LEU QD 1 28 GLN QB 3.900 . 4.900 3.254 2.502 4.709 . 0 0 "[ . 1 . 2]" 2 1032 1 25 LEU HG 1 56 THR MG 4.000 . 5.000 4.206 2.263 5.069 0.069 7 0 "[ . 1 . 2]" 2 1033 1 26 LEU HA 1 26 LEU QD 3.800 . 4.000 2.164 2.019 2.449 . 0 0 "[ . 1 . 2]" 2 1034 1 26 LEU HA 1 26 LEU HG 3.900 . 5.300 2.813 2.305 3.339 . 0 0 "[ . 1 . 2]" 2 1035 1 26 LEU QD 1 161 LEU QD 3.700 . 4.600 3.376 2.584 4.427 . 0 0 "[ . 1 . 2]" 2 1036 1 26 LEU QD 1 59 LEU QB 4.100 . 4.600 2.318 1.910 2.898 . 0 0 "[ . 1 . 2]" 2 1037 1 26 LEU QD 1 59 LEU QD 3.200 . 4.300 2.324 1.920 3.186 . 0 0 "[ . 1 . 2]" 2 1038 1 26 LEU QD 1 63 LEU QD 3.400 . 4.200 2.814 2.242 3.793 . 0 0 "[ . 1 . 2]" 2 1039 1 26 LEU QD 1 55 SER QB 4.000 . 5.000 5.042 4.928 5.144 0.144 1 0 "[ . 1 . 2]" 2 1040 1 26 LEU QD 1 56 THR HB 3.500 . 4.700 3.672 2.511 4.439 . 0 0 "[ . 1 . 2]" 2 1041 1 26 LEU QD 1 56 THR MG 3.000 . 3.700 2.225 1.879 3.051 . 0 0 "[ . 1 . 2]" 2 1042 1 26 LEU HG 1 56 THR MG 4.000 . 5.000 3.227 2.167 4.266 . 0 0 "[ . 1 . 2]" 2 1043 1 27 LEU HA 1 27 LEU QD 4.000 . 4.200 2.259 2.152 2.718 . 0 0 "[ . 1 . 2]" 2 1044 1 27 LEU HA 1 27 LEU HG 4.200 . 5.700 3.138 2.583 3.587 . 0 0 "[ . 1 . 2]" 2 1045 1 27 LEU QB 1 137 MET ME 4.000 . 5.000 3.727 2.514 4.845 . 0 0 "[ . 1 . 2]" 2 1046 1 27 LEU QD 1 137 MET HA 3.400 . 4.600 3.264 2.445 3.714 . 0 0 "[ . 1 . 2]" 2 1047 1 27 LEU QD 1 137 MET QB 3.400 . 4.300 3.476 2.185 4.195 . 0 0 "[ . 1 . 2]" 2 1048 1 27 LEU QD 1 137 MET QG 3.700 . 4.600 3.257 2.310 4.520 . 0 0 "[ . 1 . 2]" 2 1049 1 27 LEU QD 1 140 THR HA 3.600 . 4.900 2.949 2.458 3.346 . 0 0 "[ . 1 . 2]" 2 1050 1 27 LEU QD 1 141 LEU QD 3.200 . 4.300 3.168 2.363 4.002 . 0 0 "[ . 1 . 2]" 2 1051 1 27 LEU QD 1 31 ILE MD 3.500 . 4.200 2.675 2.181 3.091 . 0 0 "[ . 1 . 2]" 2 1052 1 27 LEU QD 1 114 PHE HA 3.600 . 4.900 3.180 2.426 4.034 . 0 0 "[ . 1 . 2]" 2 1053 1 27 LEU QD 1 114 PHE QB 4.300 . 5.400 3.066 2.226 4.067 . 0 0 "[ . 1 . 2]" 2 1054 1 27 LEU QD 1 114 PHE QD 3.600 . 4.900 2.955 2.051 3.715 . 0 0 "[ . 1 . 2]" 2 1055 1 27 LEU QD 1 114 PHE QE 4.100 . 5.100 3.666 2.085 4.507 . 0 0 "[ . 1 . 2]" 2 1056 1 27 LEU QD 1 117 ALA MB 3.200 . 4.300 3.268 2.427 4.004 . 0 0 "[ . 1 . 2]" 2 1057 1 27 LEU QD 1 30 PHE QB 4.100 . 5.100 3.541 3.212 4.306 . 0 0 "[ . 1 . 2]" 2 1058 1 27 LEU HG 1 137 MET ME 3.800 . 5.100 4.691 3.690 4.934 . 0 0 "[ . 1 . 2]" 2 1059 1 27 LEU HG 1 31 ILE MD 3.600 . 4.900 3.325 2.085 4.600 . 0 0 "[ . 1 . 2]" 2 1060 1 28 GLN HA 1 137 MET ME 3.200 . 4.300 3.247 2.452 3.769 . 0 0 "[ . 1 . 2]" 2 1061 1 28 GLN HA 1 28 GLN QG 3.100 . 4.200 2.548 2.271 3.288 . 0 0 "[ . 1 . 2]" 2 1062 1 28 GLN HA 1 31 ILE MD 3.500 . 4.700 2.734 2.273 3.375 . 0 0 "[ . 1 . 2]" 2 1063 1 28 GLN HA 1 31 ILE MG 4.000 . 5.000 4.075 3.703 4.439 . 0 0 "[ . 1 . 2]" 2 1064 1 28 GLN QG 1 31 ILE MD 3.900 . 5.300 4.402 3.800 4.989 . 0 0 "[ . 1 . 2]" 2 1065 1 28 GLN QG 1 45 LEU QD 3.100 . 3.900 2.852 2.015 4.527 0.627 17 1 "[ . 1 . + 2]" 2 1066 1 28 GLN QG 1 45 LEU HG 4.100 . 5.100 4.995 2.305 6.437 1.337 2 4 "[ + . 1* - . * 2]" 2 1067 1 29 GLY QA 1 32 GLN QG 4.400 . 5.500 4.471 3.414 5.073 . 0 0 "[ . 1 . 2]" 2 1068 1 30 PHE HA 1 30 PHE QD 3.500 . 4.700 2.367 2.251 2.586 . 0 0 "[ . 1 . 2]" 2 1069 1 30 PHE HA 1 33 ASP QB 3.900 . 4.900 2.865 2.469 3.868 . 0 0 "[ . 1 . 2]" 2 1070 1 30 PHE QD 1 63 LEU QB 4.100 . 5.100 2.677 2.401 3.717 . 0 0 "[ . 1 . 2]" 2 1071 1 30 PHE QD 1 63 LEU QD 3.900 . 4.900 3.091 2.351 3.553 . 0 0 "[ . 1 . 2]" 2 1072 1 30 PHE QE 1 63 LEU QD 3.800 . 4.700 3.986 3.317 4.443 . 0 0 "[ . 1 . 2]" 2 1073 1 30 PHE HZ 1 115 TYR HA 3.800 2.500 5.100 4.578 3.583 5.115 0.015 13 0 "[ . 1 . 2]" 2 1074 1 30 PHE HZ 1 34 ARG QD 4.400 . 5.500 3.271 2.276 5.236 . 0 0 "[ . 1 . 2]" 2 1075 1 31 ILE HA 1 122 LEU QD 3.800 . 4.700 3.245 2.646 3.601 . 0 0 "[ . 1 . 2]" 2 1076 1 31 ILE HA 1 31 ILE MD 3.500 . 4.700 3.835 3.799 3.877 . 0 0 "[ . 1 . 2]" 2 1077 1 31 ILE HA 1 31 ILE MG 3.300 . 4.400 2.443 2.333 2.568 . 0 0 "[ . 1 . 2]" 2 1078 1 31 ILE HB 1 31 ILE MD 3.300 . 4.400 2.299 2.229 2.339 . 0 0 "[ . 1 . 2]" 2 1079 1 31 ILE MD 1 117 ALA MB 3.800 . 5.100 4.586 4.170 4.776 . 0 0 "[ . 1 . 2]" 2 1080 1 31 ILE MD 1 31 ILE MG 2.900 . 3.900 1.882 1.826 2.004 . 0 0 "[ . 1 . 2]" 2 1081 1 31 ILE MG 1 121 VAL HB 3.900 . 5.300 4.112 3.510 4.914 . 0 0 "[ . 1 . 2]" 2 1082 1 31 ILE MG 1 122 LEU HG 4.000 . 5.400 4.465 3.630 5.046 . 0 0 "[ . 1 . 2]" 2 1083 1 31 ILE MG 1 32 GLN HA 3.700 . 5.000 3.193 2.910 3.391 . 0 0 "[ . 1 . 2]" 2 1084 1 32 GLN HA 1 32 GLN QG 3.200 . 4.300 2.393 2.240 3.035 . 0 0 "[ . 1 . 2]" 2 1085 1 32 GLN HA 1 45 LEU QD 3.500 . 4.400 4.824 2.656 8.275 3.875 6 8 "[ .+ * *- .** **]" 2 1086 1 32 GLN QB 1 35 ALA MB 4.000 . 5.000 4.378 3.857 5.100 0.100 5 0 "[ . 1 . 2]" 2 1087 1 32 GLN QB 1 45 LEU QD 3.700 . 4.600 3.912 2.056 6.357 1.757 6 3 "[ .+ 1 . - *2]" 2 1088 1 34 ARG HA 1 34 ARG QD 3.400 . 4.600 3.049 2.198 4.136 . 0 0 "[ . 1 . 2]" 2 1089 1 34 ARG HA 1 35 ALA MB 4.200 . 5.700 4.991 4.916 5.071 . 0 0 "[ . 1 . 2]" 2 1090 1 34 ARG QB 1 122 LEU QD 3.600 . 4.800 2.445 1.900 3.620 . 0 0 "[ . 1 . 2]" 2 1091 1 34 ARG QG 1 64 LYS QE 3.600 . 4.500 4.096 3.322 4.542 0.042 9 0 "[ . 1 . 2]" 2 1092 1 35 ALA HA 1 122 LEU QD 3.300 . 4.200 3.082 2.232 3.927 . 0 0 "[ . 1 . 2]" 2 1093 1 35 ALA MB 1 122 LEU QD 2.900 . 3.900 2.984 2.161 3.656 . 0 0 "[ . 1 . 2]" 2 1094 1 35 ALA MB 1 122 LEU HG 3.900 . 4.900 4.382 2.359 4.985 0.085 20 0 "[ . 1 . 2]" 2 1095 1 37 ARG HA 1 37 ARG QD 3.100 . 4.200 3.623 2.196 4.260 0.060 17 0 "[ . 1 . 2]" 2 1096 1 37 ARG HA 1 37 ARG QG 2.900 . 3.900 2.539 2.239 3.323 . 0 0 "[ . 1 . 2]" 2 1097 1 37 ARG HA 1 38 MET QB 4.600 . 6.200 4.756 3.839 5.556 . 0 0 "[ . 1 . 2]" 2 1098 1 37 ARG QD 1 38 MET ME 3.700 . 5.000 4.436 3.072 5.114 0.114 20 0 "[ . 1 . 2]" 2 1099 1 37 ARG QG 1 38 MET ME 3.900 . 5.300 4.056 2.840 5.187 . 0 0 "[ . 1 . 2]" 2 1100 1 37 ARG QG 1 38 MET QG 4.100 . 5.600 4.197 2.208 5.652 0.052 17 0 "[ . 1 . 2]" 2 1101 1 38 MET HA 1 38 MET ME 3.600 . 4.900 4.205 2.379 4.924 0.024 1 0 "[ . 1 . 2]" 2 1102 1 38 MET HA 1 38 MET QG 3.100 . 4.200 2.778 2.271 3.460 . 0 0 "[ . 1 . 2]" 2 1103 1 38 MET ME 1 38 MET QG 3.200 . 4.300 2.188 2.141 2.269 . 0 0 "[ . 1 . 2]" 2 1104 1 41 GLU HA 1 42 ALA HA 4.300 . 5.800 4.779 4.319 5.391 . 0 0 "[ . 1 . 2]" 2 1105 1 41 GLU HA 1 43 PRO QD 4.300 . 5.800 3.864 2.737 5.813 0.013 16 0 "[ . 1 . 2]" 2 1106 1 41 GLU QB 1 42 ALA MB 4.200 . 5.700 4.059 2.990 4.852 . 0 0 "[ . 1 . 2]" 2 1107 1 41 GLU QG 1 42 ALA HA 4.500 . 6.100 5.318 3.361 6.128 0.028 19 0 "[ . 1 . 2]" 2 1108 1 42 ALA HA 1 43 PRO QB 4.100 . 5.600 5.143 4.867 5.717 0.117 19 0 "[ . 1 . 2]" 2 1109 1 42 ALA HA 1 43 PRO QD 3.000 . 4.000 2.539 2.069 3.546 . 0 0 "[ . 1 . 2]" 2 1110 1 42 ALA HA 1 43 PRO QG 3.300 . 4.500 4.461 4.021 5.361 0.861 19 5 "[ * . - 1* * +2]" 2 1111 1 42 ALA MB 1 43 PRO QB 3.800 . 5.100 4.950 4.168 5.256 0.156 10 0 "[ . 1 . 2]" 2 1112 1 42 ALA MB 1 43 PRO QD 3.200 . 4.300 3.052 1.882 3.523 . 0 0 "[ . 1 . 2]" 2 1113 1 42 ALA MB 1 44 GLU HA 4.100 . 5.500 5.605 4.250 6.590 1.090 2 7 "[ + * * 1* * - *2]" 2 1114 1 42 ALA MB 1 44 GLU QB 3.900 . 5.300 5.051 2.622 7.021 1.721 5 9 "[ +* - * *** * *]" 2 1115 1 44 GLU HA 1 44 GLU QG 2.900 . 3.900 2.901 2.169 3.462 . 0 0 "[ . 1 . 2]" 2 1116 1 45 LEU HA 1 133 ILE MG 4.300 . 5.800 5.343 4.629 5.726 . 0 0 "[ . 1 . 2]" 2 1117 1 45 LEU HA 1 137 MET ME 4.200 . 5.700 4.703 3.533 5.299 . 0 0 "[ . 1 . 2]" 2 1118 1 45 LEU HA 1 45 LEU QD 3.000 . 3.800 2.559 1.967 3.478 . 0 0 "[ . 1 . 2]" 2 1119 1 45 LEU HA 1 45 LEU HG 3.100 . 4.200 3.155 2.333 3.992 . 0 0 "[ . 1 . 2]" 2 1120 1 45 LEU HA 1 46 ALA MB 3.400 . 4.600 4.181 3.681 4.744 0.144 19 0 "[ . 1 . 2]" 2 1121 1 46 ALA HA 1 47 LEU QB 4.100 . 5.600 4.547 4.077 5.231 . 0 0 "[ . 1 . 2]" 2 1122 1 46 ALA MB 1 47 LEU HA 3.700 . 5.000 4.132 3.552 5.033 0.033 18 0 "[ . 1 . 2]" 2 1123 1 47 LEU HA 1 47 LEU QD 3.200 . 3.500 2.548 1.957 3.386 . 0 0 "[ . 1 . 2]" 2 1124 1 47 LEU HA 1 47 LEU HG 3.000 . 4.100 3.038 2.303 4.243 0.143 17 0 "[ . 1 . 2]" 2 1125 1 47 LEU HA 1 48 ASP HA 4.200 2.700 5.700 4.613 4.359 5.379 . 0 0 "[ . 1 . 2]" 2 1126 1 47 LEU HA 1 48 ASP QB 4.700 . 6.300 4.576 3.759 5.340 . 0 0 "[ . 1 . 2]" 2 1127 1 47 LEU QD 1 48 ASP QB 3.600 . 4.900 3.983 2.416 5.065 0.165 9 0 "[ . 1 . 2]" 2 1128 1 48 ASP HA 1 49 PRO QB 3.900 . 5.300 4.968 4.812 5.637 0.337 20 0 "[ . 1 . 2]" 2 1129 1 48 ASP HA 1 49 PRO QD 2.800 . 3.800 2.259 2.016 3.475 . 0 0 "[ . 1 . 2]" 2 1130 1 48 ASP QB 1 49 PRO HA 4.500 . 6.100 4.761 3.898 5.187 . 0 0 "[ . 1 . 2]" 2 1131 1 48 ASP QB 1 49 PRO QD 3.600 . 4.600 3.178 2.035 3.804 . 0 0 "[ . 1 . 2]" 2 1132 1 48 ASP QB 1 49 PRO QG 4.500 . 6.100 4.846 3.768 5.451 . 0 0 "[ . 1 . 2]" 2 1133 1 49 PRO QB 1 49 PRO QD 3.200 . 4.300 3.043 2.946 3.060 . 0 0 "[ . 1 . 2]" 2 1134 1 50 VAL HA 1 50 VAL QG 2.900 . 3.900 2.173 2.061 2.358 . 0 0 "[ . 1 . 2]" 2 1135 1 50 VAL HA 1 51 PRO QB 3.900 . 5.300 4.915 4.787 5.523 0.223 12 0 "[ . 1 . 2]" 2 1136 1 50 VAL HA 1 51 PRO QD 2.800 . 3.800 2.157 1.980 3.330 . 0 0 "[ . 1 . 2]" 2 1137 1 50 VAL HB 1 51 PRO QD 3.400 . 4.200 3.506 1.999 4.309 0.109 20 0 "[ . 1 . 2]" 2 1138 1 50 VAL QG 1 51 PRO QD 3.300 . 4.200 2.778 2.024 3.440 . 0 0 "[ . 1 . 2]" 2 1139 1 50 VAL QG 1 52 GLN QG 4.100 . 5.500 4.807 1.810 6.979 1.479 12 3 "[ . -*1 + . 2]" 2 1140 1 51 PRO HA 1 51 PRO QG 2.900 . 3.900 3.438 3.374 3.591 . 0 0 "[ . 1 . 2]" 2 1141 1 52 GLN HA 1 52 GLN QG 3.100 . 4.000 2.479 2.273 3.285 . 0 0 "[ . 1 . 2]" 2 1142 1 52 GLN HA 1 53 ASP HA 4.200 2.700 5.700 4.637 4.412 5.390 . 0 0 "[ . 1 . 2]" 2 1143 1 53 ASP HA 1 54 ALA HA 4.400 . 5.900 4.526 4.293 4.956 . 0 0 "[ . 1 . 2]" 2 1144 1 54 ALA HA 1 57 LYS QD 3.600 . 4.500 3.533 2.323 4.426 . 0 0 "[ . 1 . 2]" 2 1145 1 54 ALA HA 1 57 LYS QE 3.700 . 5.000 3.758 2.355 4.658 . 0 0 "[ . 1 . 2]" 2 1146 1 54 ALA HA 1 57 LYS QG 3.900 . 4.900 3.983 2.238 4.502 . 0 0 "[ . 1 . 2]" 2 1147 1 54 ALA MB 1 55 SER HA 3.700 . 5.000 3.932 3.861 4.189 . 0 0 "[ . 1 . 2]" 2 1148 1 54 ALA MB 1 57 LYS QB 3.300 . 4.500 3.656 2.598 4.113 . 0 0 "[ . 1 . 2]" 2 1149 1 54 ALA MB 1 57 LYS QD 3.800 . 4.700 4.297 2.704 5.239 0.539 6 2 "[ .+ 1 - . 2]" 2 1150 1 54 ALA MB 1 57 LYS QE 3.200 . 4.000 4.338 2.176 5.248 1.248 1 10 "[+** . * * - *.* * *]" 2 1151 1 54 ALA MB 1 57 LYS QG 3.600 . 4.500 4.850 3.167 5.372 0.872 17 13 "[* **.* *** ** **+- 2]" 2 1152 1 55 SER HA 1 162 LEU QD 3.700 . 4.600 4.580 4.170 4.812 0.212 11 0 "[ . 1 . 2]" 2 1153 1 55 SER QB 1 57 LYS QG 4.300 . 5.800 7.059 5.631 7.463 1.663 2 17 "[*+**.******** **** -]" 2 1154 1 56 THR HA 1 56 THR MG 2.900 . 3.900 2.294 2.236 2.359 . 0 0 "[ . 1 . 2]" 2 1155 1 56 THR HA 1 59 LEU QD 3.400 . 4.600 3.258 2.519 3.700 . 0 0 "[ . 1 . 2]" 2 1156 1 56 THR HA 1 59 LEU HG 4.100 2.700 5.500 4.811 3.525 5.558 0.058 5 0 "[ . 1 . 2]" 2 1157 1 56 THR HB 1 59 LEU QB 4.300 . 5.400 4.793 4.173 5.355 . 0 0 "[ . 1 . 2]" 2 1158 1 56 THR MG 1 59 LEU QB 4.100 . 5.100 3.644 3.249 4.010 . 0 0 "[ . 1 . 2]" 2 1159 1 57 LYS HA 1 57 LYS QD 3.200 . 4.300 3.909 3.417 4.261 . 0 0 "[ . 1 . 2]" 2 1160 1 57 LYS HA 1 57 LYS QG 3.000 . 4.000 2.495 2.309 3.458 . 0 0 "[ . 1 . 2]" 2 1161 1 57 LYS QB 1 57 LYS QE 3.200 . 4.300 2.709 2.064 3.686 . 0 0 "[ . 1 . 2]" 2 1162 1 58 LYS HA 1 58 LYS QG 3.400 . 4.600 2.545 2.220 3.170 . 0 0 "[ . 1 . 2]" 2 1163 1 58 LYS QB 1 58 LYS QE 3.100 . 4.200 3.455 2.108 3.831 . 0 0 "[ . 1 . 2]" 2 1164 1 58 LYS QE 1 162 LEU HG 4.200 . 5.200 5.017 4.093 5.263 0.063 3 0 "[ . 1 . 2]" 2 1165 1 59 LEU HA 1 59 LEU QD 3.000 . 4.100 2.223 1.979 2.940 . 0 0 "[ . 1 . 2]" 2 1166 1 59 LEU QD 1 158 TRP QB 4.000 . 5.000 2.706 2.263 3.480 . 0 0 "[ . 1 . 2]" 2 1167 1 59 LEU QD 1 159 ASP HA 3.900 . 4.200 4.013 3.444 4.141 . 0 0 "[ . 1 . 2]" 2 1168 1 59 LEU QD 1 161 LEU QB 4.400 . 5.500 2.479 2.170 2.875 . 0 0 "[ . 1 . 2]" 2 1169 1 59 LEU QD 1 165 PHE QD 3.600 . 4.900 4.310 3.551 4.581 . 0 0 "[ . 1 . 2]" 2 1170 1 60 SER HA 1 63 LEU QD 3.600 . 4.500 2.849 2.373 3.866 . 0 0 "[ . 1 . 2]" 2 1171 1 61 GLU QG 1 64 LYS QG 4.200 . 5.200 4.880 4.163 5.285 0.085 9 0 "[ . 1 . 2]" 2 1172 1 61 GLU QG 1 65 ARG QG 4.200 . 5.200 3.750 2.115 5.216 0.016 9 0 "[ . 1 . 2]" 2 1173 1 62 CYS HA 1 65 ARG QB 3.700 . 4.600 2.938 2.469 3.286 . 0 0 "[ . 1 . 2]" 2 1174 1 62 CYS QB 1 162 LEU QD 3.600 . 4.500 4.161 3.343 4.543 0.043 17 0 "[ . 1 . 2]" 2 1175 1 63 LEU HA 1 63 LEU QD 3.600 . 4.300 2.194 2.033 2.394 . 0 0 "[ . 1 . 2]" 2 1176 1 63 LEU HA 1 66 ILE HB 4.000 2.600 5.400 3.406 2.884 5.127 . 0 0 "[ . 1 . 2]" 2 1177 1 63 LEU HA 1 66 ILE MD 3.800 . 5.100 3.523 2.247 4.345 . 0 0 "[ . 1 . 2]" 2 1178 1 63 LEU HA 1 66 ILE MG 3.500 . 4.700 3.925 2.129 4.346 . 0 0 "[ . 1 . 2]" 2 1179 1 63 LEU QD 1 114 PHE QD 3.900 . 4.900 2.845 2.210 3.987 . 0 0 "[ . 1 . 2]" 2 1180 1 63 LEU QD 1 114 PHE QE 3.800 . 4.700 3.868 3.228 4.651 . 0 0 "[ . 1 . 2]" 2 1181 1 63 LEU QD 1 66 ILE HB 4.100 . 5.100 4.345 4.009 5.221 0.121 6 0 "[ . 1 . 2]" 2 1182 1 63 LEU QD 1 66 ILE MD 3.700 . 4.600 3.561 2.177 4.543 . 0 0 "[ . 1 . 2]" 2 1183 1 63 LEU QD 1 66 ILE MG 3.600 . 4.500 4.279 3.324 4.590 0.090 20 0 "[ . 1 . 2]" 2 1184 1 63 LEU HG 1 66 ILE MD 4.400 . 5.500 4.927 4.065 5.296 . 0 0 "[ . 1 . 2]" 2 1185 1 64 LYS HA 1 64 LYS QG 3.100 . 4.200 2.433 2.246 3.063 . 0 0 "[ . 1 . 2]" 2 1186 1 65 ARG HA 1 65 ARG QD 3.800 . 5.100 3.212 2.180 4.152 . 0 0 "[ . 1 . 2]" 2 1187 1 65 ARG HA 1 65 ARG QG 3.800 . 5.100 2.422 2.171 2.772 . 0 0 "[ . 1 . 2]" 2 1188 1 66 ILE HA 1 174 THR MG 4.300 . 5.400 4.118 3.264 5.437 0.037 7 0 "[ . 1 . 2]" 2 1189 1 66 ILE HA 1 66 ILE MD 4.000 . 5.400 3.832 3.737 4.135 . 0 0 "[ . 1 . 2]" 2 1190 1 66 ILE HA 1 66 ILE MG 3.400 . 4.600 2.552 2.290 3.203 . 0 0 "[ . 1 . 2]" 2 1191 1 66 ILE HA 1 69 GLU QG 4.100 . 5.100 4.392 3.774 4.806 . 0 0 "[ . 1 . 2]" 2 1192 1 66 ILE MD 1 111 VAL QG 4.000 . 5.000 2.570 1.935 3.271 . 0 0 "[ . 1 . 2]" 2 1193 1 66 ILE MD 1 173 VAL HB 4.000 . 5.000 4.403 3.236 5.018 0.018 8 0 "[ . 1 . 2]" 2 1194 1 66 ILE MD 1 66 ILE MG 3.200 . 4.300 1.915 1.825 2.029 . 0 0 "[ . 1 . 2]" 2 1195 1 66 ILE MD 1 70 LEU QD 4.300 . 5.400 4.110 2.339 4.668 . 0 0 "[ . 1 . 2]" 2 1196 1 66 ILE MG 1 111 VAL QG 3.900 . 4.100 3.120 2.374 3.885 . 0 0 "[ . 1 . 2]" 2 1197 1 66 ILE MG 1 165 PHE QE 4.200 . 5.700 4.543 2.442 5.167 . 0 0 "[ . 1 . 2]" 2 1198 1 66 ILE MG 1 177 VAL QG 3.700 . 4.600 3.245 2.646 4.281 . 0 0 "[ . 1 . 2]" 2 1199 1 66 ILE MG 1 70 LEU QD 3.300 . 4.400 2.587 1.993 4.226 . 0 0 "[ . 1 . 2]" 2 1200 1 66 ILE MG 1 70 LEU HG 4.100 . 5.500 3.744 2.468 4.975 . 0 0 "[ . 1 . 2]" 2 1201 1 67 GLY QA 1 70 LEU QB 4.200 . 5.300 3.013 2.651 3.769 . 0 0 "[ . 1 . 2]" 2 1202 1 69 GLU HA 1 69 GLU QG 3.300 . 4.500 2.481 2.250 2.745 . 0 0 "[ . 1 . 2]" 2 1203 1 69 GLU HA 1 72 SER QB 3.700 . 4.600 3.128 2.485 3.924 . 0 0 "[ . 1 . 2]" 2 1204 1 69 GLU QB 1 174 THR MG 3.500 . 4.400 3.249 2.342 4.052 . 0 0 "[ . 1 . 2]" 2 1205 1 69 GLU QG 1 174 THR HB 3.900 . 4.900 4.469 3.549 4.980 0.080 20 0 "[ . 1 . 2]" 2 1206 1 69 GLU QG 1 174 THR MG 3.600 . 4.900 2.767 2.215 3.183 . 0 0 "[ . 1 . 2]" 2 1207 1 69 GLU QG 1 72 SER QB 4.100 . 5.100 3.917 2.686 5.119 0.019 15 0 "[ . 1 . 2]" 2 1208 1 70 LEU HA 1 174 THR MG 4.200 . 5.200 4.142 2.885 5.236 0.036 20 0 "[ . 1 . 2]" 2 1209 1 70 LEU HA 1 70 LEU QD 3.900 . 4.200 2.195 1.939 3.047 . 0 0 "[ . 1 . 2]" 2 1210 1 70 LEU HA 1 70 LEU HG 4.300 . 5.800 2.897 2.347 3.693 . 0 0 "[ . 1 . 2]" 2 1211 1 70 LEU HA 1 73 ASN QB 4.300 . 5.400 4.331 2.750 5.236 . 0 0 "[ . 1 . 2]" 2 1212 1 70 LEU QD 1 111 VAL QG 3.500 . 4.400 4.121 3.660 4.479 0.079 2 0 "[ . 1 . 2]" 2 1213 1 70 LEU QD 1 173 VAL QG 4.300 . 5.400 4.533 3.626 5.407 0.007 5 0 "[ . 1 . 2]" 2 1214 1 70 LEU QD 1 178 ALA MB . . 3.900 2.437 2.028 3.357 . 0 0 "[ . 1 . 2]" 2 1215 1 70 LEU QD 1 181 LEU QD 3.700 . 5.000 3.320 2.044 4.672 . 0 0 "[ . 1 . 2]" 2 1216 1 70 LEU QD 1 76 LEU QD 3.800 . 4.300 2.434 1.989 3.744 . 0 0 "[ . 1 . 2]" 2 1217 1 70 LEU QD 1 177 VAL HB 3.800 . 4.700 3.494 2.870 4.270 . 0 0 "[ . 1 . 2]" 2 1218 1 70 LEU QD 1 177 VAL QG 3.100 . 3.900 2.340 2.049 2.939 . 0 0 "[ . 1 . 2]" 2 1219 1 70 LEU QD 1 178 ALA HA 3.400 . 4.600 3.094 2.596 3.844 . 0 0 "[ . 1 . 2]" 2 1220 1 70 LEU HG 1 174 THR MG 4.300 . 5.800 4.332 3.080 5.429 . 0 0 "[ . 1 . 2]" 2 1221 1 72 SER HA 1 74 MET ME 3.500 . 4.700 3.952 2.823 4.471 . 0 0 "[ . 1 . 2]" 2 1222 1 73 ASN HA 1 74 MET QG 4.700 . 6.300 4.024 3.560 5.524 . 0 0 "[ . 1 . 2]" 2 1223 1 73 ASN QB 1 76 LEU QB 4.500 . 5.400 2.685 2.023 3.427 . 0 0 "[ . 1 . 2]" 2 1224 1 73 ASN QB 1 76 LEU QD 3.900 . 4.900 3.538 2.739 4.235 . 0 0 "[ . 1 . 2]" 2 1225 1 74 MET HA 1 74 MET ME 3.300 . 4.500 3.682 2.248 4.471 . 0 0 "[ . 1 . 2]" 2 1226 1 74 MET HA 1 74 MET QG 3.500 . 4.700 2.677 2.355 3.161 . 0 0 "[ . 1 . 2]" 2 1227 1 74 MET HA 1 77 GLN QB 3.700 . 4.600 2.452 2.079 2.601 . 0 0 "[ . 1 . 2]" 2 1228 1 74 MET HA 1 77 GLN QG 4.000 . 5.000 4.206 3.245 4.667 . 0 0 "[ . 1 . 2]" 2 1229 1 74 MET ME 1 74 MET QG 3.300 . 4.000 2.170 2.134 2.233 . 0 0 "[ . 1 . 2]" 2 1230 1 74 MET QG 1 75 GLU HA 4.200 . 5.700 5.893 5.754 6.055 0.355 8 0 "[ . 1 . 2]" 2 1231 1 75 GLU HA 1 75 GLU QG 2.800 . 3.800 2.337 2.212 2.769 . 0 0 "[ . 1 . 2]" 2 1232 1 75 GLU QG 1 182 THR MG 3.400 . 4.600 4.419 3.163 6.352 1.752 19 4 "[ -* . * 1 . +2]" 2 1233 1 75 GLU QG 1 76 LEU QD 4.200 . 5.700 4.569 2.728 6.074 0.374 2 0 "[ . 1 . 2]" 2 1234 1 75 GLU QG 1 78 ARG QD 3.600 . 4.500 4.416 3.807 4.638 0.138 5 0 "[ . 1 . 2]" 2 1235 1 75 GLU QG 1 79 MET QG 4.100 . 5.100 3.887 2.736 5.113 0.013 19 0 "[ . 1 . 2]" 2 1236 1 76 LEU HA 1 182 THR MG 3.600 . 4.800 3.778 2.729 4.531 . 0 0 "[ . 1 . 2]" 2 1237 1 76 LEU HA 1 76 LEU QD 3.800 . 3.900 2.220 2.016 2.320 . 0 0 "[ . 1 . 2]" 2 1238 1 76 LEU HA 1 79 MET QG 3.900 . 4.900 3.715 3.053 4.691 . 0 0 "[ . 1 . 2]" 2 1239 1 76 LEU QD 1 178 ALA HA 3.600 . 4.900 2.987 2.645 3.659 . 0 0 "[ . 1 . 2]" 2 1240 1 76 LEU QD 1 178 ALA MB 3.300 . 4.100 2.918 2.180 3.567 . 0 0 "[ . 1 . 2]" 2 1241 1 76 LEU QD 1 80 ILE MD 3.500 . 4.200 2.846 2.137 3.754 . 0 0 "[ . 1 . 2]" 2 1242 1 76 LEU QD 1 181 LEU QB 3.500 . 4.300 2.718 1.964 3.551 . 0 0 "[ . 1 . 2]" 2 1243 1 76 LEU QD 1 182 THR HA 3.800 . 4.700 3.220 2.459 3.783 . 0 0 "[ . 1 . 2]" 2 1244 1 76 LEU QD 1 182 THR HB 4.200 . 5.300 4.001 3.445 4.414 . 0 0 "[ . 1 . 2]" 2 1245 1 76 LEU QD 1 185 LEU QD 3.300 . 4.500 2.809 1.964 3.951 . 0 0 "[ . 1 . 2]" 2 1246 1 76 LEU QD 1 79 MET ME 3.600 . 4.500 4.378 4.033 4.587 0.087 9 0 "[ . 1 . 2]" 2 1247 1 76 LEU QD 1 79 MET QG 4.100 . 5.100 4.276 2.882 4.687 . 0 0 "[ . 1 . 2]" 2 1248 1 76 LEU HG 1 182 THR MG 4.200 . 5.300 4.623 3.409 5.330 0.030 12 0 "[ . 1 . 2]" 2 1249 1 76 LEU HG 1 80 ILE MD 3.400 . 4.600 3.003 2.124 4.255 . 0 0 "[ . 1 . 2]" 2 1250 1 77 GLN HA 1 80 ILE MD 3.400 . 4.600 2.433 2.271 2.927 . 0 0 "[ . 1 . 2]" 2 1251 1 77 GLN HA 1 80 ILE MG 3.800 . 5.100 4.251 3.867 4.659 . 0 0 "[ . 1 . 2]" 2 1252 1 77 GLN HA 1 81 ALA MB 4.100 . 5.100 4.917 4.536 5.097 . 0 0 "[ . 1 . 2]" 2 1253 1 77 GLN QB 1 80 ILE HB 4.700 . 5.900 4.859 4.431 5.231 . 0 0 "[ . 1 . 2]" 2 1254 1 78 ARG HA 1 78 ARG QD 3.200 . 4.300 3.892 2.837 4.326 0.026 18 0 "[ . 1 . 2]" 2 1255 1 78 ARG HA 1 78 ARG QG 3.200 . 4.300 2.464 2.173 3.422 . 0 0 "[ . 1 . 2]" 2 1256 1 78 ARG QB 1 78 ARG QD 2.800 . 3.800 2.248 2.112 2.758 . 0 0 "[ . 1 . 2]" 2 1257 1 78 ARG QB 1 81 ALA MB 4.000 . 5.400 4.264 3.819 4.401 . 0 0 "[ . 1 . 2]" 2 1258 1 78 ARG QD 1 81 ALA MB 4.000 . 5.400 4.869 4.189 5.267 . 0 0 "[ . 1 . 2]" 2 1259 1 78 ARG QG 1 81 ALA MB 3.800 . 4.700 3.538 3.264 4.878 0.178 9 0 "[ . 1 . 2]" 2 1260 1 79 MET HA 1 79 MET ME 3.500 . 4.700 3.748 3.350 4.316 . 0 0 "[ . 1 . 2]" 2 1261 1 79 MET HA 1 79 MET QG 3.300 . 4.300 2.274 2.167 2.531 . 0 0 "[ . 1 . 2]" 2 1262 1 79 MET QB 1 185 LEU QD 3.900 . 4.900 2.396 2.000 3.059 . 0 0 "[ . 1 . 2]" 2 1263 1 79 MET ME 1 182 THR MG 2.800 . 3.500 3.038 2.196 4.217 0.717 14 2 "[ -. 1 +. 2]" 2 1264 1 79 MET ME 1 185 LEU QB 3.400 . 4.600 2.464 1.991 2.974 . 0 0 "[ . 1 . 2]" 2 1265 1 79 MET ME 1 185 LEU QD 3.300 . 4.500 3.038 2.221 3.522 . 0 0 "[ . 1 . 2]" 2 1266 1 79 MET ME 1 186 THR HA 3.100 . 4.200 2.936 2.269 3.883 . 0 0 "[ . 1 . 2]" 2 1267 1 79 MET ME 1 186 THR MG 2.600 . 3.300 3.121 1.930 3.393 0.093 13 0 "[ . 1 . 2]" 2 1268 1 79 MET ME 1 79 MET QG 3.300 . 4.400 2.193 2.041 2.241 . 0 0 "[ . 1 . 2]" 2 1269 1 79 MET ME 1 82 ALA MB 3.400 . 4.600 4.143 3.440 4.272 . 0 0 "[ . 1 . 2]" 2 1270 1 79 MET ME 1 83 VAL QG 4.200 . 5.200 4.742 3.538 5.287 0.087 4 0 "[ . 1 . 2]" 2 1271 1 79 MET QG 1 182 THR MG 3.600 . 4.500 4.039 2.331 4.658 0.158 14 0 "[ . 1 . 2]" 2 1272 1 79 MET QG 1 185 LEU QD 3.800 . 4.700 3.722 2.017 4.512 . 0 0 "[ . 1 . 2]" 2 1273 1 79 MET QG 1 82 ALA MB 3.900 . 4.900 3.710 3.066 3.972 . 0 0 "[ . 1 . 2]" 2 1274 1 80 ILE HA 1 185 LEU QD 3.700 . 5.000 2.939 2.357 3.627 . 0 0 "[ . 1 . 2]" 2 1275 1 80 ILE HA 1 80 ILE MD 3.400 . 4.600 3.827 3.802 3.862 . 0 0 "[ . 1 . 2]" 2 1276 1 80 ILE HA 1 80 ILE QG 3.600 . 4.900 2.384 2.327 2.449 . 0 0 "[ . 1 . 2]" 2 1277 1 80 ILE HA 1 80 ILE MG 3.000 . 4.000 2.382 2.326 2.469 . 0 0 "[ . 1 . 2]" 2 1278 1 80 ILE HA 1 83 VAL QG 3.300 . 4.400 2.312 2.109 2.613 . 0 0 "[ . 1 . 2]" 2 1279 1 80 ILE HB 1 185 LEU QD 4.200 . 5.300 4.606 4.143 5.004 . 0 0 "[ . 1 . 2]" 2 1280 1 80 ILE HB 1 80 ILE MD 3.100 . 4.200 2.292 2.263 2.322 . 0 0 "[ . 1 . 2]" 2 1281 1 80 ILE HB 1 81 ALA MB 4.300 . 5.800 4.117 4.016 4.184 . 0 0 "[ . 1 . 2]" 2 1282 1 80 ILE MD 1 115 TYR QD 4.100 . 5.500 4.422 4.003 4.962 . 0 0 "[ . 1 . 2]" 2 1283 1 80 ILE MD 1 119 LYS QE 3.500 . 4.400 2.951 2.119 4.046 . 0 0 "[ . 1 . 2]" 2 1284 1 80 ILE MD 1 181 LEU QD 4.100 . 5.100 3.991 3.154 4.623 . 0 0 "[ . 1 . 2]" 2 1285 1 80 ILE MD 1 185 LEU QD 3.300 . 4.400 3.677 3.227 3.968 . 0 0 "[ . 1 . 2]" 2 1286 1 80 ILE MD 1 80 ILE MG 2.800 . 3.800 1.895 1.844 1.971 . 0 0 "[ . 1 . 2]" 2 1287 1 80 ILE QG 1 185 LEU QD 3.800 . 4.700 2.603 2.157 2.956 . 0 0 "[ . 1 . 2]" 2 1288 1 80 ILE QG 1 80 ILE MG 3.100 . 4.200 2.260 2.233 2.283 . 0 0 "[ . 1 . 2]" 2 1289 1 80 ILE MG 1 119 LYS QB 3.400 . 4.200 3.473 2.685 4.195 . 0 0 "[ . 1 . 2]" 2 1290 1 80 ILE MG 1 119 LYS QE 3.500 . 4.400 3.052 2.040 4.411 0.011 12 0 "[ . 1 . 2]" 2 1291 1 80 ILE MG 1 123 LYS QE 3.600 . 4.500 3.965 2.478 4.539 0.039 20 0 "[ . 1 . 2]" 2 1292 1 80 ILE MG 1 185 LEU QD 3.800 . 5.100 3.815 3.578 4.215 . 0 0 "[ . 1 . 2]" 2 1293 1 80 ILE MG 1 81 ALA HA 3.600 . 4.900 3.538 3.374 3.690 . 0 0 "[ . 1 . 2]" 2 1294 1 80 ILE MG 1 81 ALA MB 3.400 . 4.600 4.122 3.904 4.296 . 0 0 "[ . 1 . 2]" 2 1295 1 81 ALA MB 1 82 ALA HA 3.700 . 5.000 3.962 3.919 4.001 . 0 0 "[ . 1 . 2]" 2 1296 1 82 ALA MB 1 83 VAL HA 4.000 . 5.400 3.984 3.843 4.062 . 0 0 "[ . 1 . 2]" 2 1297 1 82 ALA MB 1 83 VAL QG 3.600 . 4.900 3.279 2.895 4.068 . 0 0 "[ . 1 . 2]" 2 1298 1 83 VAL HA 1 83 VAL QG 3.100 . 4.200 2.202 2.107 2.414 . 0 0 "[ . 1 . 2]" 2 1299 1 83 VAL HA 1 84 ASP QB 4.300 . 5.800 4.373 3.758 4.797 . 0 0 "[ . 1 . 2]" 2 1300 1 83 VAL HB 1 123 LYS QE 4.100 . 5.100 7.010 4.944 9.861 4.761 16 16 "[****.* **** ***+-* *]" 2 1301 1 83 VAL QG 1 185 LEU QD . . 3.900 2.307 1.905 3.179 . 0 0 "[ . 1 . 2]" 2 1302 1 83 VAL QG 1 188 TRP QB 4.500 . 5.600 4.329 3.629 4.838 . 0 0 "[ . 1 . 2]" 2 1303 1 83 VAL QG 1 84 ASP HA 4.400 . 5.900 4.107 3.181 4.696 . 0 0 "[ . 1 . 2]" 2 1304 1 84 ASP HA 1 85 THR HA 4.500 2.900 6.100 4.550 4.378 5.271 . 0 0 "[ . 1 . 2]" 2 1305 1 85 THR HA 1 85 THR MG 2.900 . 3.900 2.660 2.314 3.200 . 0 0 "[ . 1 . 2]" 2 1306 1 85 THR HB 1 86 ASP HA 4.200 2.700 5.700 4.919 4.228 5.688 . 0 0 "[ . 1 . 2]" 2 1307 1 86 ASP QB 1 87 SER QB 4.500 . 6.100 4.139 3.285 5.669 . 0 0 "[ . 1 . 2]" 2 1308 1 87 SER HA 1 88 PRO QD 3.100 . 4.200 2.068 2.014 2.130 . 0 0 "[ . 1 . 2]" 2 1309 1 87 SER HA 1 88 PRO QG 3.500 . 4.700 4.022 3.955 4.099 . 0 0 "[ . 1 . 2]" 2 1310 1 87 SER HA 1 90 GLU QG 4.500 . 5.600 4.980 4.342 5.823 0.223 8 0 "[ . 1 . 2]" 2 1311 1 87 SER QB 1 90 GLU QG 3.400 . 4.200 2.844 2.278 3.692 . 0 0 "[ . 1 . 2]" 2 1312 1 88 PRO HA 1 88 PRO QD 4.000 . 5.400 3.419 3.369 3.499 . 0 0 "[ . 1 . 2]" 2 1313 1 88 PRO HA 1 88 PRO QG 3.700 . 5.000 3.461 3.371 3.533 . 0 0 "[ . 1 . 2]" 2 1314 1 88 PRO HA 1 91 VAL QG 3.600 . 4.500 3.346 2.123 4.214 . 0 0 "[ . 1 . 2]" 2 1315 1 88 PRO QB 1 120 LEU QD 4.000 . 5.000 2.782 2.070 3.396 . 0 0 "[ . 1 . 2]" 2 1316 1 88 PRO QB 1 132 LEU QD 3.800 . 4.800 3.902 2.973 4.483 . 0 0 "[ . 1 . 2]" 2 1317 1 88 PRO QB 1 139 TRP HH2 4.500 . 5.800 3.876 3.138 4.377 . 0 0 "[ . 1 . 2]" 2 1318 1 88 PRO QB 1 139 TRP HZ3 4.000 . 5.000 2.617 2.292 3.787 . 0 0 "[ . 1 . 2]" 2 1319 1 88 PRO QG 1 120 LEU QD 4.000 . 5.000 4.087 3.145 4.708 . 0 0 "[ . 1 . 2]" 2 1320 1 88 PRO QG 1 132 LEU QD 3.300 . 4.400 3.452 2.854 4.027 . 0 0 "[ . 1 . 2]" 2 1321 1 88 PRO QG 1 139 TRP HH2 4.000 . 5.000 3.816 3.075 4.465 . 0 0 "[ . 1 . 2]" 2 1322 1 89 ARG HA 1 139 TRP HZ3 4.300 2.800 5.800 3.901 2.782 5.099 0.018 10 0 "[ . 1 . 2]" 2 1323 1 89 ARG QD 1 135 THR MG 4.200 . 5.300 4.797 4.299 5.359 0.059 10 0 "[ . 1 . 2]" 2 1324 1 89 ARG QD 1 139 TRP HH2 4.100 . 5.100 3.474 2.808 4.449 . 0 0 "[ . 1 . 2]" 2 1325 1 89 ARG QD 1 139 TRP HZ2 4.000 . 5.000 3.114 2.477 4.118 . 0 0 "[ . 1 . 2]" 2 1326 1 90 GLU HA 1 90 GLU QG 3.000 . 4.000 2.729 2.324 3.323 . 0 0 "[ . 1 . 2]" 2 1327 1 90 GLU HA 1 93 PHE QB 4.200 . 5.300 3.419 2.984 3.913 . 0 0 "[ . 1 . 2]" 2 1328 1 91 VAL HB 1 120 LEU QD 4.200 . 5.300 4.528 3.794 5.376 0.076 11 0 "[ . 1 . 2]" 2 1329 1 91 VAL QG 1 188 TRP HZ2 3.700 . 4.600 3.408 2.515 4.564 . 0 0 "[ . 1 . 2]" 2 1330 1 91 VAL QG 1 92 PHE HA 3.700 . 5.000 3.399 2.805 3.635 . 0 0 "[ . 1 . 2]" 2 1331 1 91 VAL QG 1 95 VAL QG 3.000 . 3.800 2.175 1.876 2.797 . 0 0 "[ . 1 . 2]" 2 1332 1 92 PHE HA 1 116 PHE QE 3.900 . 4.900 2.824 2.394 4.925 0.025 4 0 "[ . 1 . 2]" 2 1333 1 92 PHE HA 1 92 PHE QD 3.700 . 5.000 2.770 2.407 3.016 . 0 0 "[ . 1 . 2]" 2 1334 1 92 PHE HA 1 95 VAL HB 3.800 2.500 5.100 3.659 3.201 4.593 . 0 0 "[ . 1 . 2]" 2 1335 1 92 PHE QB 1 120 LEU QD 4.300 . 5.400 3.071 2.518 4.252 . 0 0 "[ . 1 . 2]" 2 1336 1 92 PHE QD 1 120 LEU QD 3.500 . 4.700 2.772 2.200 4.263 . 0 0 "[ . 1 . 2]" 2 1337 1 92 PHE QD 1 93 PHE HA 4.100 . 5.500 3.252 2.932 3.892 . 0 0 "[ . 1 . 2]" 2 1338 1 92 PHE QD 1 96 ALA MB 4.500 . 6.100 3.925 3.589 4.288 . 0 0 "[ . 1 . 2]" 2 1339 1 92 PHE HZ 1 117 ALA MB 4.300 . 5.400 4.485 3.161 5.336 . 0 0 "[ . 1 . 2]" 2 1340 1 92 PHE HZ 1 140 THR MG 3.600 . 4.500 3.533 2.770 4.512 0.012 9 0 "[ . 1 . 2]" 2 1341 1 93 PHE HA 1 143 PHE QE 4.200 . 5.300 4.797 4.008 5.318 0.018 3 0 "[ . 1 . 2]" 2 1342 1 93 PHE QE 1 97 ALA MB 3.600 . 4.500 3.413 2.806 3.840 . 0 0 "[ . 1 . 2]" 2 1343 1 93 PHE HZ 1 97 ALA MB 3.900 . 4.900 3.994 3.638 4.603 . 0 0 "[ . 1 . 2]" 2 1344 1 94 ARG HA 1 94 ARG QD 3.100 . 4.200 2.583 2.133 3.980 . 0 0 "[ . 1 . 2]" 2 1345 1 94 ARG HA 1 94 ARG QG 3.300 . 4.500 2.660 2.202 3.116 . 0 0 "[ . 1 . 2]" 2 1346 1 94 ARG HA 1 95 VAL QG 4.600 . 6.200 4.787 4.693 4.897 . 0 0 "[ . 1 . 2]" 2 1347 1 94 ARG HA 1 97 ALA MB 3.200 . 4.000 2.808 2.641 2.975 . 0 0 "[ . 1 . 2]" 2 1348 1 94 ARG QB 1 94 ARG QD 2.900 . 3.900 2.492 2.146 2.948 . 0 0 "[ . 1 . 2]" 2 1349 1 94 ARG QD 1 187 ILE MG 4.100 . 5.100 5.810 3.841 8.432 3.332 15 8 "[- ** *1 +*** 2]" 2 1350 1 94 ARG QD 1 97 ALA MB 4.000 . 5.000 3.623 3.218 5.079 0.079 15 0 "[ . 1 . 2]" 2 1351 1 95 VAL HA 1 184 SER QB 4.300 . 5.400 3.910 2.675 5.185 . 0 0 "[ . 1 . 2]" 2 1352 1 95 VAL HA 1 95 VAL QG 3.100 . 4.200 2.130 2.069 2.271 . 0 0 "[ . 1 . 2]" 2 1353 1 95 VAL QG 1 116 PHE QD 4.000 . 4.600 3.590 2.985 4.188 . 0 0 "[ . 1 . 2]" 2 1354 1 95 VAL QG 1 116 PHE QE 3.900 . 4.900 3.021 2.453 3.548 . 0 0 "[ . 1 . 2]" 2 1355 1 95 VAL QG 1 116 PHE HZ 4.500 . 5.600 3.071 2.657 3.664 . 0 0 "[ . 1 . 2]" 2 1356 1 95 VAL QG 1 184 SER QB 4.500 . 4.700 2.513 1.977 3.114 . 0 0 "[ . 1 . 2]" 2 1357 1 95 VAL QG 1 113 LEU QD 4.000 . 5.000 4.344 3.140 5.084 0.084 3 0 "[ . 1 . 2]" 2 1358 1 95 VAL QG 1 181 LEU QD 3.900 . 5.000 3.507 2.835 4.330 . 0 0 "[ . 1 . 2]" 2 1359 1 95 VAL QG 1 185 LEU QD . . 3.700 3.133 2.449 3.709 0.009 17 0 "[ . 1 . 2]" 2 1360 1 95 VAL QG 1 96 ALA HA 4.000 . 5.400 3.170 2.796 3.440 . 0 0 "[ . 1 . 2]" 2 1361 1 95 VAL QG 1 96 ALA MB 4.000 . 5.400 3.605 2.797 3.964 . 0 0 "[ . 1 . 2]" 2 1362 1 95 VAL QG 1 99 MET ME 2.800 . 3.800 2.511 2.065 3.441 . 0 0 "[ . 1 . 2]" 2 1363 1 95 VAL QG 1 99 MET QG 3.800 . 5.100 3.583 2.139 4.827 . 0 0 "[ . 1 . 2]" 2 1364 1 96 ALA HA 1 113 LEU QD 3.500 . 4.700 3.678 2.727 4.421 . 0 0 "[ . 1 . 2]" 2 1365 1 96 ALA HA 1 97 ALA HA 4.200 2.700 5.700 4.891 4.756 5.006 . 0 0 "[ . 1 . 2]" 2 1366 1 96 ALA HA 1 99 MET HA 4.600 3.000 6.200 5.806 5.348 6.221 0.021 8 0 "[ . 1 . 2]" 2 1367 1 96 ALA HA 1 99 MET QB 4.200 . 5.200 3.188 2.661 3.924 . 0 0 "[ . 1 . 2]" 2 1368 1 96 ALA HA 1 99 MET ME 3.200 . 4.300 3.261 2.564 3.476 . 0 0 "[ . 1 . 2]" 2 1369 1 96 ALA HA 1 99 MET QG 4.400 . 5.500 3.964 2.923 5.330 . 0 0 "[ . 1 . 2]" 2 1370 1 96 ALA MB 1 113 LEU QD 3.800 . 4.100 2.900 2.267 3.463 . 0 0 "[ . 1 . 2]" 2 1371 1 96 ALA MB 1 143 PHE QE 4.000 . 5.400 3.291 2.596 3.846 . 0 0 "[ . 1 . 2]" 2 1372 1 96 ALA MB 1 97 ALA HA 4.200 . 5.700 3.837 3.719 3.981 . 0 0 "[ . 1 . 2]" 2 1373 1 96 ALA MB 1 97 ALA MB 3.600 . 4.900 3.651 3.518 3.785 . 0 0 "[ . 1 . 2]" 2 1374 1 96 ALA MB 1 99 MET QB 4.300 . 5.400 4.288 3.806 4.801 . 0 0 "[ . 1 . 2]" 2 1375 1 96 ALA MB 1 99 MET ME 3.500 . 4.700 4.290 3.592 4.490 . 0 0 "[ . 1 . 2]" 2 1376 1 97 ALA MB 1 143 PHE QE 4.300 . 5.400 4.365 3.470 5.078 . 0 0 "[ . 1 . 2]" 2 1377 1 97 ALA MB 1 98 ASP HA 4.000 . 5.400 3.849 3.797 3.911 . 0 0 "[ . 1 . 2]" 2 1378 1 97 ALA MB 1 98 ASP QB 4.200 . 5.700 4.081 3.805 4.544 . 0 0 "[ . 1 . 2]" 2 1379 1 98 ASP HA 1 101 SER HA 3.900 . 5.300 4.523 3.306 5.438 0.138 12 0 "[ . 1 . 2]" 2 1380 1 98 ASP HA 1 101 SER QB 3.400 . 4.200 3.153 2.099 4.346 0.146 2 0 "[ . 1 . 2]" 2 1381 1 99 MET HA 1 99 MET ME 3.800 . 5.100 4.449 3.986 4.767 . 0 0 "[ . 1 . 2]" 2 1382 1 99 MET HA 1 99 MET QG 3.600 . 4.500 2.305 2.156 2.430 . 0 0 "[ . 1 . 2]" 2 1383 1 99 MET QB 1 100 PHE QD 4.000 . 5.400 2.828 2.382 3.644 . 0 0 "[ . 1 . 2]" 2 1384 1 99 MET QB 1 180 VAL QG 4.000 . 5.000 4.021 3.288 4.824 . 0 0 "[ . 1 . 2]" 2 1385 1 99 MET ME 1 112 ALA HA 4.000 . 5.400 4.602 4.180 5.004 . 0 0 "[ . 1 . 2]" 2 1386 1 99 MET ME 1 112 ALA MB 2.900 . 3.600 2.654 2.305 3.039 . 0 0 "[ . 1 . 2]" 2 1387 1 99 MET ME 1 113 LEU HA 3.300 . 4.400 3.172 2.685 3.562 . 0 0 "[ . 1 . 2]" 2 1388 1 99 MET ME 1 113 LEU QB 3.900 . 4.600 3.917 3.112 4.353 . 0 0 "[ . 1 . 2]" 2 1389 1 99 MET ME 1 113 LEU QD 3.800 . 4.000 3.503 2.767 3.926 . 0 0 "[ . 1 . 2]" 2 1390 1 99 MET ME 1 116 PHE QB 3.500 . 4.400 3.150 2.799 3.880 . 0 0 "[ . 1 . 2]" 2 1391 1 99 MET ME 1 116 PHE QD 3.300 . 4.100 3.996 3.673 4.170 0.070 10 0 "[ . 1 . 2]" 2 1392 1 99 MET ME 1 180 VAL QG . . 4.100 3.759 3.402 3.932 . 0 0 "[ . 1 . 2]" 2 1393 1 99 MET ME 1 181 LEU HA 3.400 . 4.600 3.238 2.573 3.890 . 0 0 "[ . 1 . 2]" 2 1394 1 99 MET ME 1 181 LEU QB 3.900 . 4.900 4.206 3.563 4.901 0.001 6 0 "[ . 1 . 2]" 2 1395 1 99 MET ME 1 181 LEU QD 3.300 . 3.900 2.162 1.949 2.651 . 0 0 "[ . 1 . 2]" 2 1396 1 99 MET ME 1 181 LEU HG 3.400 . 4.300 4.044 2.561 4.470 0.170 18 0 "[ . 1 . 2]" 2 1397 1 99 MET ME 1 184 SER QB 3.700 . 4.800 3.497 2.963 4.140 . 0 0 "[ . 1 . 2]" 2 1398 1 99 MET ME 1 185 LEU QD 4.300 . 5.400 4.912 4.007 5.446 0.046 6 0 "[ . 1 . 2]" 2 1399 1 99 MET ME 1 99 MET QG 3.200 . 4.300 2.195 2.131 2.334 . 0 0 "[ . 1 . 2]" 2 1400 1 99 MET QG 1 180 VAL QG 3.500 . 4.400 3.165 2.165 4.396 . 0 0 "[ . 1 . 2]" 2 1401 1 100 PHE HA 1 100 PHE QD 3.700 . 5.000 2.672 2.230 3.149 . 0 0 "[ . 1 . 2]" 2 1402 1 100 PHE HA 1 100 PHE QE 4.500 . 6.100 4.509 4.273 4.769 . 0 0 "[ . 1 . 2]" 2 1403 1 100 PHE QB 1 101 SER QB 3.900 . 5.300 4.510 4.040 5.132 . 0 0 "[ . 1 . 2]" 2 1404 1 100 PHE QD 1 105 PHE HA 4.000 . 5.000 3.823 2.434 5.023 0.023 2 0 "[ . 1 . 2]" 2 1405 1 100 PHE QD 1 143 PHE HZ 3.900 . 4.900 3.681 2.638 4.776 . 0 0 "[ . 1 . 2]" 2 1406 1 100 PHE QD 1 148 LEU QD 4.400 . 5.400 4.225 3.143 5.004 . 0 0 "[ . 1 . 2]" 2 1407 1 100 PHE QE 1 113 LEU QD 3.800 . 4.700 3.007 2.203 4.585 . 0 0 "[ . 1 . 2]" 2 1408 1 100 PHE QE 1 148 LEU QD 3.500 . 4.400 3.240 2.243 3.943 . 0 0 "[ . 1 . 2]" 2 1409 1 100 PHE HZ 1 148 LEU QD 4.000 . 4.700 3.243 2.250 4.658 . 0 0 "[ . 1 . 2]" 2 1410 1 104 ASN QB 1 105 PHE HA 4.600 . 6.200 4.435 3.784 5.253 . 0 0 "[ . 1 . 2]" 2 1411 1 105 PHE HA 1 105 PHE QD 4.000 . 5.400 2.931 2.336 3.705 . 0 0 "[ . 1 . 2]" 2 1412 1 105 PHE HA 1 109 ARG QD 4.100 . 5.100 4.023 2.267 5.139 0.039 11 0 "[ . 1 . 2]" 2 1413 1 105 PHE QD 1 151 TRP HD1 4.300 . 5.400 4.873 2.659 7.250 1.850 12 5 "[ *.*- 1 + .* 2]" 2 1414 1 105 PHE QE 1 148 LEU QD 3.400 . 4.200 4.163 2.267 5.728 1.528 2 6 "[ +* . * * - *2]" 2 1415 1 107 TRP HA 1 107 TRP HE3 3.900 . 5.300 3.077 2.331 4.461 . 0 0 "[ . 1 . 2]" 2 1416 1 107 TRP HA 1 110 VAL QG 3.600 . 4.900 2.720 2.189 3.261 . 0 0 "[ . 1 . 2]" 2 1417 1 107 TRP QB 1 108 GLY QA 4.100 . 5.500 3.865 3.564 4.352 . 0 0 "[ . 1 . 2]" 2 1418 1 107 TRP QB 1 107 TRP HZ2 4.200 . 5.700 5.691 5.656 5.717 0.017 19 0 "[ . 1 . 2]" 2 1419 1 107 TRP QB 1 161 LEU QD 4.000 . 5.000 3.833 2.031 5.002 0.002 9 0 "[ . 1 . 2]" 2 1420 1 107 TRP HE3 1 110 VAL HB 4.100 2.700 5.500 5.008 4.222 5.623 0.123 10 0 "[ . 1 . 2]" 2 1421 1 107 TRP HE3 1 110 VAL QG 4.000 . 4.700 3.790 2.529 4.768 0.068 7 0 "[ . 1 . 2]" 2 1422 1 108 GLY QA 1 177 VAL QG 4.000 . 5.000 3.202 2.235 4.028 . 0 0 "[ . 1 . 2]" 2 1423 1 109 ARG HA 1 109 ARG QD 4.600 . 6.200 3.763 2.331 4.651 . 0 0 "[ . 1 . 2]" 2 1424 1 109 ARG HA 1 112 ALA MB 3.500 . 4.400 2.840 2.484 3.231 . 0 0 "[ . 1 . 2]" 2 1425 1 109 ARG HA 1 180 VAL QG 3.900 . 4.700 3.548 2.691 4.495 . 0 0 "[ . 1 . 2]" 2 1426 1 110 VAL HB 1 111 VAL QG 4.300 . 5.800 3.570 2.674 4.757 . 0 0 "[ . 1 . 2]" 2 1427 1 110 VAL QG 1 114 PHE QD 4.200 . 5.300 3.285 2.360 4.698 . 0 0 "[ . 1 . 2]" 2 1428 1 110 VAL QG 1 148 LEU QD 3.100 . 3.900 2.474 1.946 3.550 . 0 0 "[ . 1 . 2]" 2 1429 1 110 VAL QG 1 152 ILE MD 3.800 . 5.100 3.868 3.335 4.474 . 0 0 "[ . 1 . 2]" 2 1430 1 110 VAL QG 1 158 TRP HH2 3.700 . 4.600 4.238 3.428 4.679 0.079 18 0 "[ . 1 . 2]" 2 1431 1 110 VAL QG 1 158 TRP HZ3 4.100 . 5.100 3.532 2.283 4.137 . 0 0 "[ . 1 . 2]" 2 1432 1 111 VAL HA 1 114 PHE HA 4.500 2.900 6.100 5.626 5.050 6.175 0.075 14 0 "[ . 1 . 2]" 2 1433 1 111 VAL HA 1 114 PHE QB 4.500 . 5.600 3.032 2.319 3.707 . 0 0 "[ . 1 . 2]" 2 1434 1 111 VAL HB 1 177 VAL QG 3.700 . 4.600 2.479 2.120 4.149 . 0 0 "[ . 1 . 2]" 2 1435 1 111 VAL QG 1 164 TYR QE 4.300 . 5.800 4.732 3.858 5.226 . 0 0 "[ . 1 . 2]" 2 1436 1 111 VAL QG 1 165 PHE QE 3.800 . 5.100 2.920 2.299 4.047 . 0 0 "[ . 1 . 2]" 2 1437 1 111 VAL QG 1 165 PHE HZ 4.400 . 5.500 2.738 2.022 5.371 . 0 0 "[ . 1 . 2]" 2 1438 1 111 VAL QG 1 177 VAL QG 3.200 . 4.000 2.245 1.796 2.845 . 0 0 "[ . 1 . 2]" 2 1439 1 112 ALA HA 1 177 VAL QG 4.500 . 5.600 3.043 2.216 3.961 . 0 0 "[ . 1 . 2]" 2 1440 1 112 ALA HA 1 181 LEU QD 3.700 . 5.000 2.891 2.261 4.032 . 0 0 "[ . 1 . 2]" 2 1441 1 112 ALA MB 1 177 VAL QG 3.900 . 4.000 2.488 1.975 3.329 . 0 0 "[ . 1 . 2]" 2 1442 1 112 ALA MB 1 180 VAL QG 3.400 . 4.300 2.950 2.367 3.525 . 0 0 "[ . 1 . 2]" 2 1443 1 112 ALA MB 1 181 LEU HA 4.100 . 5.100 3.633 2.768 4.272 . 0 0 "[ . 1 . 2]" 2 1444 1 112 ALA MB 1 181 LEU QB 4.000 . 5.400 3.157 2.027 4.294 . 0 0 "[ . 1 . 2]" 2 1445 1 112 ALA MB 1 181 LEU QD 3.500 . 4.300 2.186 1.978 2.501 . 0 0 "[ . 1 . 2]" 2 1446 1 112 ALA MB 1 181 LEU HG 3.400 . 4.300 3.322 2.074 4.388 0.088 15 0 "[ . 1 . 2]" 2 1447 1 113 LEU HA 1 113 LEU QD 4.000 . 4.400 2.150 2.043 2.269 . 0 0 "[ . 1 . 2]" 2 1448 1 113 LEU QD 1 116 PHE QD 3.700 . 4.600 3.203 2.781 4.329 . 0 0 "[ . 1 . 2]" 2 1449 1 113 LEU QD 1 148 LEU QD 3.300 . 4.100 2.801 2.183 3.913 . 0 0 "[ . 1 . 2]" 2 1450 1 114 PHE HA 1 114 PHE QD 3.400 . 4.600 2.243 2.125 2.416 . 0 0 "[ . 1 . 2]" 2 1451 1 114 PHE HA 1 114 PHE QE 3.900 . 5.300 4.406 4.231 4.551 . 0 0 "[ . 1 . 2]" 2 1452 1 114 PHE HZ 1 144 LEU QD 3.100 . 3.900 3.302 2.507 3.804 . 0 0 "[ . 1 . 2]" 2 1453 1 115 TYR HA 1 115 TYR QD 4.000 . 5.400 2.744 2.509 3.023 . 0 0 "[ . 1 . 2]" 2 1454 1 115 TYR QD 1 181 LEU QD 3.700 . 4.600 2.924 2.271 4.088 . 0 0 "[ . 1 . 2]" 2 1455 1 116 PHE HA 1 116 PHE QD 3.800 . 5.100 2.609 2.352 2.983 . 0 0 "[ . 1 . 2]" 2 1456 1 116 PHE HA 1 117 ALA MB 4.300 . 5.800 5.070 5.062 5.079 . 0 0 "[ . 1 . 2]" 2 1457 1 116 PHE HA 1 181 LEU QD 4.000 . 5.000 3.537 3.310 4.084 . 0 0 "[ . 1 . 2]" 2 1458 1 116 PHE QB 1 117 ALA MB 4.600 . 6.200 3.814 3.689 3.886 . 0 0 "[ . 1 . 2]" 2 1459 1 116 PHE QB 1 181 LEU QD 3.700 . 4.600 2.514 2.073 2.951 . 0 0 "[ . 1 . 2]" 2 1460 1 116 PHE QD 1 120 LEU QD 3.800 . 4.700 3.463 2.668 4.359 . 0 0 "[ . 1 . 2]" 2 1461 1 116 PHE QE 1 120 LEU QD 4.000 . 5.000 2.736 2.148 3.600 . 0 0 "[ . 1 . 2]" 2 1462 1 117 ALA HA 1 120 LEU QB 4.600 . 5.700 2.440 2.190 2.842 . 0 0 "[ . 1 . 2]" 2 1463 1 117 ALA HA 1 120 LEU QD 3.800 . 5.100 2.713 2.256 3.905 . 0 0 "[ . 1 . 2]" 2 1464 1 117 ALA HA 1 136 ILE MG 3.800 . 5.100 3.960 3.589 4.270 . 0 0 "[ . 1 . 2]" 2 1465 1 118 SER HA 1 121 VAL QG 3.700 . 4.500 2.802 2.272 3.078 . 0 0 "[ . 1 . 2]" 2 1466 1 119 LYS HA 1 119 LYS QD 3.300 . 4.500 3.122 2.228 4.517 0.017 2 0 "[ . 1 . 2]" 2 1467 1 120 LEU HA 1 120 LEU QD 3.900 . 4.000 2.134 1.926 2.270 . 0 0 "[ . 1 . 2]" 2 1468 1 120 LEU HA 1 120 LEU HG 3.900 . 5.200 2.783 2.316 3.574 . 0 0 "[ . 1 . 2]" 2 1469 1 120 LEU HA 1 123 LYS QB 3.500 . 4.400 2.935 2.538 3.224 . 0 0 "[ . 1 . 2]" 2 1470 1 120 LEU QB 1 136 ILE MD 3.800 . 5.100 2.525 2.050 3.244 . 0 0 "[ . 1 . 2]" 2 1471 1 120 LEU QD 1 136 ILE MD 3.600 . 4.900 2.968 2.167 3.708 . 0 0 "[ . 1 . 2]" 2 1472 1 120 LEU HG 1 136 ILE MD 4.000 . 5.400 4.184 2.221 5.065 . 0 0 "[ . 1 . 2]" 2 1473 1 121 VAL HA 1 121 VAL QG 3.000 . 4.000 2.194 2.051 2.620 . 0 0 "[ . 1 . 2]" 2 1474 1 121 VAL HA 1 136 ILE MD 3.200 . 4.300 2.647 2.117 3.998 . 0 0 "[ . 1 . 2]" 2 1475 1 121 VAL HA 1 136 ILE MG 3.800 . 5.100 3.402 3.099 3.690 . 0 0 "[ . 1 . 2]" 2 1476 1 121 VAL QG 1 133 ILE HB 4.200 . 4.700 4.531 4.169 4.769 0.069 10 0 "[ . 1 . 2]" 2 1477 1 121 VAL QG 1 136 ILE HB 3.400 . 4.600 2.934 2.437 3.424 . 0 0 "[ . 1 . 2]" 2 1478 1 121 VAL QG 1 136 ILE MD 3.100 . 4.200 2.915 2.414 3.667 . 0 0 "[ . 1 . 2]" 2 1479 1 121 VAL QG 1 136 ILE MG 3.000 . 4.000 2.049 1.867 2.295 . 0 0 "[ . 1 . 2]" 2 1480 1 121 VAL QG 1 137 MET QG 3.900 . 5.300 3.225 2.450 4.812 . 0 0 "[ . 1 . 2]" 2 1481 1 121 VAL QG 1 122 LEU HA 3.600 . 4.900 3.193 2.934 3.421 . 0 0 "[ . 1 . 2]" 2 1482 1 121 VAL QG 1 133 ILE MD 2.900 . 3.600 3.344 2.124 3.648 0.048 15 0 "[ . 1 . 2]" 2 1483 1 121 VAL QG 1 133 ILE QG 3.700 . 4.600 2.902 2.263 3.912 . 0 0 "[ . 1 . 2]" 2 1484 1 121 VAL QG 1 133 ILE MG 2.900 . 3.600 2.205 2.031 2.425 . 0 0 "[ . 1 . 2]" 2 1485 1 122 LEU HA 1 122 LEU QD 2.900 . 3.900 2.280 2.176 2.469 . 0 0 "[ . 1 . 2]" 2 1486 1 122 LEU HA 1 122 LEU HG 3.500 . 4.700 2.509 2.325 2.961 . 0 0 "[ . 1 . 2]" 2 1487 1 122 LEU HA 1 125 LEU QB 3.400 . 4.300 2.436 2.287 2.806 . 0 0 "[ . 1 . 2]" 2 1488 1 122 LEU QD 1 125 LEU QB 3.600 . 4.500 3.555 3.209 3.907 . 0 0 "[ . 1 . 2]" 2 1489 1 123 LYS HA 1 123 LYS QD 3.400 . 4.600 3.174 2.178 4.215 . 0 0 "[ . 1 . 2]" 2 1490 1 123 LYS HA 1 123 LYS QE 3.500 . 4.700 4.224 3.762 4.734 0.034 1 0 "[ . 1 . 2]" 2 1491 1 123 LYS HA 1 123 LYS QG 3.100 . 4.200 2.423 2.230 2.791 . 0 0 "[ . 1 . 2]" 2 1492 1 123 LYS QB 1 127 THR MG 4.100 . 5.100 4.755 3.617 5.256 0.156 4 0 "[ . 1 . 2]" 2 1493 1 123 LYS QE 1 123 LYS QG 2.500 . 3.400 2.328 2.143 2.881 . 0 0 "[ . 1 . 2]" 2 1494 1 124 ALA HA 1 127 THR HB 4.000 2.600 5.400 3.715 2.582 4.321 0.018 12 0 "[ . 1 . 2]" 2 1495 1 124 ALA HA 1 127 THR MG 3.600 . 4.500 3.301 2.156 3.903 . 0 0 "[ . 1 . 2]" 2 1496 1 124 ALA HA 1 129 VAL HB 3.800 2.500 5.100 4.483 4.017 5.263 0.163 18 0 "[ . 1 . 2]" 2 1497 1 124 ALA HA 1 132 LEU QD 3.600 . 4.500 3.519 2.985 4.486 . 0 0 "[ . 1 . 2]" 2 1498 1 124 ALA MB 1 129 VAL HB 3.500 . 4.700 3.443 3.143 4.593 . 0 0 "[ . 1 . 2]" 2 1499 1 124 ALA MB 1 132 LEU QD 2.900 . 3.900 2.123 2.008 2.844 . 0 0 "[ . 1 . 2]" 2 1500 1 124 ALA MB 1 132 LEU HG 3.400 . 4.200 3.354 2.587 3.750 . 0 0 "[ . 1 . 2]" 2 1501 1 124 ALA MB 1 133 ILE QG 4.100 . 5.100 2.658 2.225 3.770 . 0 0 "[ . 1 . 2]" 2 1502 1 124 ALA MB 1 136 ILE MD 3.100 . 4.200 2.667 2.167 3.836 . 0 0 "[ . 1 . 2]" 2 1503 1 125 LEU HA 1 125 LEU QD 3.000 . 4.000 2.341 2.099 3.008 . 0 0 "[ . 1 . 2]" 2 1504 1 125 LEU HA 1 125 LEU HG 3.300 . 4.400 2.672 2.291 3.268 . 0 0 "[ . 1 . 2]" 2 1505 1 125 LEU HA 1 133 ILE MD 3.500 . 4.700 2.544 2.287 3.071 . 0 0 "[ . 1 . 2]" 2 1506 1 125 LEU QB 1 126 CYS HA 4.100 . 5.500 4.056 3.857 4.329 . 0 0 "[ . 1 . 2]" 2 1507 1 125 LEU QB 1 133 ILE MD 3.900 . 4.900 3.256 2.439 4.183 . 0 0 "[ . 1 . 2]" 2 1508 1 125 LEU QD 1 126 CYS HA 4.200 . 5.400 3.623 2.621 4.997 . 0 0 "[ . 1 . 2]" 2 1509 1 125 LEU HG 1 133 ILE MD 3.700 . 4.600 3.669 2.151 4.721 0.121 10 0 "[ . 1 . 2]" 2 1510 1 126 CYS HA 1 128 LYS QE 4.100 . 5.500 4.502 3.412 5.114 . 0 0 "[ . 1 . 2]" 2 1511 1 126 CYS HA 1 128 LYS QG 4.000 . 5.400 3.890 3.432 4.887 . 0 0 "[ . 1 . 2]" 2 1512 1 127 THR HA 1 127 THR MG 2.700 . 3.700 2.246 2.126 3.126 . 0 0 "[ . 1 . 2]" 2 1513 1 127 THR HB 1 132 LEU QD 4.000 . 5.400 4.885 4.625 5.080 . 0 0 "[ . 1 . 2]" 2 1514 1 127 THR MG 1 129 VAL QG 3.100 . 4.200 3.405 1.856 3.941 . 0 0 "[ . 1 . 2]" 2 1515 1 128 LYS HA 1 128 LYS QD 3.300 . 4.500 3.522 2.168 4.068 . 0 0 "[ . 1 . 2]" 2 1516 1 128 LYS HA 1 128 LYS QE 3.900 . 5.300 4.564 3.609 4.904 . 0 0 "[ . 1 . 2]" 2 1517 1 128 LYS HA 1 128 LYS QG 3.000 . 4.100 2.543 2.339 3.150 . 0 0 "[ . 1 . 2]" 2 1518 1 128 LYS HA 1 130 PRO QD 4.100 . 5.500 3.185 2.926 3.592 . 0 0 "[ . 1 . 2]" 2 1519 1 128 LYS QB 1 128 LYS QE 3.800 . 5.100 3.441 2.236 3.827 . 0 0 "[ . 1 . 2]" 2 1520 1 128 LYS QE 1 128 LYS QG 2.700 . 3.600 2.255 2.115 2.366 . 0 0 "[ . 1 . 2]" 2 1521 1 129 VAL HA 1 129 VAL QG 2.900 . 3.900 2.143 2.088 2.379 . 0 0 "[ . 1 . 2]" 2 1522 1 129 VAL HA 1 130 PRO QD 3.400 . 4.600 2.124 2.092 2.152 . 0 0 "[ . 1 . 2]" 2 1523 1 129 VAL HB 1 132 LEU QB 3.900 . 4.900 2.770 2.375 4.182 . 0 0 "[ . 1 . 2]" 2 1524 1 129 VAL HB 1 132 LEU QD 3.100 . 4.200 3.385 3.096 4.144 . 0 0 "[ . 1 . 2]" 2 1525 1 129 VAL QG 1 130 PRO QD 3.800 . 5.100 3.253 3.139 3.371 . 0 0 "[ . 1 . 2]" 2 1526 1 129 VAL QG 1 132 LEU QB 3.800 . 4.700 2.154 1.779 2.277 . 0 0 "[ . 1 . 2]" 2 1527 1 129 VAL QG 1 132 LEU QD 2.600 . 3.200 2.790 2.060 3.063 . 0 0 "[ . 1 . 2]" 2 1528 1 129 VAL QG 1 132 LEU HG 3.600 . 4.500 4.439 3.691 4.612 0.112 14 0 "[ . 1 . 2]" 2 1529 1 130 PRO HA 1 130 PRO QG 3.500 . 4.700 3.425 3.389 3.475 . 0 0 "[ . 1 . 2]" 2 1530 1 130 PRO HA 1 132 LEU QD 4.000 . 5.400 5.811 5.599 6.030 0.630 15 7 "[ *-* ***1 + 2]" 2 1531 1 130 PRO HA 1 133 ILE HB 4.400 2.800 6.000 2.850 2.607 3.292 0.193 15 0 "[ . 1 . 2]" 2 1532 1 130 PRO HA 1 133 ILE MD 3.200 . 4.300 2.392 2.136 3.713 . 0 0 "[ . 1 . 2]" 2 1533 1 130 PRO HA 1 133 ILE MG 4.100 . 5.500 4.149 4.011 4.315 . 0 0 "[ . 1 . 2]" 2 1534 1 130 PRO QB 1 133 ILE MD 3.800 . 4.700 3.150 2.534 4.931 0.231 14 0 "[ . 1 . 2]" 2 1535 1 131 GLU QB 1 132 LEU QD 3.700 . 5.000 4.361 3.392 4.814 . 0 0 "[ . 1 . 2]" 2 1536 1 131 GLU QG 1 132 LEU QD 3.700 . 4.600 5.097 3.735 6.006 1.406 12 9 "[* * . * 1 +* .**- *]" 2 1537 1 131 GLU QG 1 134 ARG QD 4.100 . 5.100 4.802 4.287 5.224 0.124 7 0 "[ . 1 . 2]" 2 1538 1 132 LEU HA 1 132 LEU QD 2.900 . 3.900 2.149 1.929 2.243 . 0 0 "[ . 1 . 2]" 2 1539 1 132 LEU HA 1 132 LEU HG 3.700 . 5.000 2.795 2.431 3.614 . 0 0 "[ . 1 . 2]" 2 1540 1 132 LEU HA 1 135 THR HA 4.100 2.700 5.500 4.927 4.753 5.213 . 0 0 "[ . 1 . 2]" 2 1541 1 132 LEU HA 1 135 THR MG 3.500 . 4.700 3.685 2.267 3.832 . 0 0 "[ . 1 . 2]" 2 1542 1 132 LEU HA 1 136 ILE MD 4.200 . 5.700 4.372 3.856 4.820 . 0 0 "[ . 1 . 2]" 2 1543 1 132 LEU QB 1 135 THR MG 4.400 . 5.500 5.004 3.956 5.259 . 0 0 "[ . 1 . 2]" 2 1544 1 132 LEU QB 1 135 THR HB 4.300 . 5.800 4.345 4.158 5.607 . 0 0 "[ . 1 . 2]" 2 1545 1 132 LEU QB 1 136 ILE MD 3.600 . 4.900 3.649 2.743 4.512 . 0 0 "[ . 1 . 2]" 2 1546 1 132 LEU QD 1 135 THR HB 3.100 . 4.200 2.551 2.263 3.538 . 0 0 "[ . 1 . 2]" 2 1547 1 132 LEU QD 1 136 ILE MD 3.000 . 4.100 2.420 2.023 2.658 . 0 0 "[ . 1 . 2]" 2 1548 1 132 LEU HG 1 135 THR MG 4.200 . 5.200 4.497 3.733 5.258 0.058 19 0 "[ . 1 . 2]" 2 1549 1 132 LEU HG 1 136 ILE MD 3.400 . 4.600 2.547 2.086 3.961 . 0 0 "[ . 1 . 2]" 2 1550 1 133 ILE HA 1 133 ILE MD 3.400 . 4.600 3.586 2.016 3.847 . 0 0 "[ . 1 . 2]" 2 1551 1 133 ILE HA 1 133 ILE QG 3.800 . 5.000 2.421 2.189 3.029 . 0 0 "[ . 1 . 2]" 2 1552 1 133 ILE HA 1 133 ILE MG 3.000 . 4.100 2.368 2.283 2.560 . 0 0 "[ . 1 . 2]" 2 1553 1 133 ILE HB 1 133 ILE MD 3.100 . 4.200 2.381 2.252 3.215 . 0 0 "[ . 1 . 2]" 2 1554 1 133 ILE MD 1 133 ILE MG 2.800 . 3.800 2.037 1.891 3.169 . 0 0 "[ . 1 . 2]" 2 1555 1 133 ILE MG 1 134 ARG HA 3.600 . 4.900 3.459 3.237 3.694 . 0 0 "[ . 1 . 2]" 2 1556 1 133 ILE MG 1 134 ARG QB 3.900 . 5.300 4.291 3.760 4.732 . 0 0 "[ . 1 . 2]" 2 1557 1 133 ILE MG 1 134 ARG QG 3.900 . 5.300 4.178 2.876 5.147 . 0 0 "[ . 1 . 2]" 2 1558 1 133 ILE MG 1 136 ILE MD 4.100 . 5.500 4.329 3.767 5.281 . 0 0 "[ . 1 . 2]" 2 1559 1 133 ILE MG 1 137 MET ME 3.100 . 4.200 3.778 3.302 4.000 . 0 0 "[ . 1 . 2]" 2 1560 1 133 ILE MG 1 137 MET QG 3.800 . 5.100 3.465 2.412 4.821 . 0 0 "[ . 1 . 2]" 2 1561 1 134 ARG HA 1 134 ARG QD 3.400 . 4.600 4.082 3.884 4.242 . 0 0 "[ . 1 . 2]" 2 1562 1 134 ARG HA 1 134 ARG QG 3.400 . 4.500 2.380 2.253 2.647 . 0 0 "[ . 1 . 2]" 2 1563 1 134 ARG HA 1 137 MET ME 3.300 . 4.500 4.089 3.432 4.220 . 0 0 "[ . 1 . 2]" 2 1564 1 134 ARG HA 1 137 MET QG 4.100 . 5.500 3.819 2.369 4.822 . 0 0 "[ . 1 . 2]" 2 1565 1 134 ARG QB 1 134 ARG QD 3.000 . 4.100 2.233 2.120 2.476 . 0 0 "[ . 1 . 2]" 2 1566 1 134 ARG QB 1 135 THR HA 4.400 . 5.900 3.970 3.822 4.085 . 0 0 "[ . 1 . 2]" 2 1567 1 134 ARG QG 1 135 THR MG 4.500 . 6.100 5.789 4.777 6.607 0.507 12 1 "[ . 1 + . 2]" 2 1568 1 134 ARG QG 1 135 THR HA 4.600 . 6.200 4.644 3.535 5.785 . 0 0 "[ . 1 . 2]" 2 1569 1 135 THR HA 1 135 THR MG 2.800 . 3.800 2.367 2.320 2.700 . 0 0 "[ . 1 . 2]" 2 1570 1 135 THR HB 1 136 ILE MD 4.400 . 5.900 4.579 4.145 5.699 . 0 0 "[ . 1 . 2]" 2 1571 1 135 THR MG 1 136 ILE HA 4.000 . 5.400 3.664 3.164 5.488 0.088 15 0 "[ . 1 . 2]" 2 1572 1 135 THR MG 1 136 ILE MD 3.800 . 5.100 4.629 2.838 5.311 0.211 15 0 "[ . 1 . 2]" 2 1573 1 135 THR MG 1 139 TRP HH2 4.000 . 5.000 3.236 2.688 4.408 . 0 0 "[ . 1 . 2]" 2 1574 1 135 THR MG 1 139 TRP HZ2 3.800 . 5.100 2.645 2.380 3.731 . 0 0 "[ . 1 . 2]" 2 1575 1 136 ILE HA 1 136 ILE MD 3.600 . 4.900 3.439 2.186 3.851 . 0 0 "[ . 1 . 2]" 2 1576 1 136 ILE HA 1 136 ILE MG 3.200 . 4.300 2.391 2.294 2.485 . 0 0 "[ . 1 . 2]" 2 1577 1 136 ILE HA 1 139 TRP HE3 3.900 . 5.300 3.149 2.537 3.982 . 0 0 "[ . 1 . 2]" 2 1578 1 136 ILE HB 1 136 ILE MD 3.200 . 4.300 2.503 2.242 3.221 . 0 0 "[ . 1 . 2]" 2 1579 1 136 ILE MD 1 136 ILE MG 2.900 . 3.900 1.972 1.857 2.110 . 0 0 "[ . 1 . 2]" 2 1580 1 136 ILE MG 1 137 MET HA 4.100 . 5.500 3.207 2.983 3.456 . 0 0 "[ . 1 . 2]" 2 1581 1 136 ILE MG 1 139 TRP HE3 3.800 . 4.800 3.814 3.430 4.420 . 0 0 "[ . 1 . 2]" 2 1582 1 136 ILE MG 1 139 TRP HZ3 4.400 . 5.500 4.812 4.255 5.503 0.003 5 0 "[ . 1 . 2]" 2 1583 1 137 MET HA 1 137 MET ME 3.900 . 5.300 4.230 3.961 4.554 . 0 0 "[ . 1 . 2]" 2 1584 1 137 MET HA 1 137 MET QG 3.700 . 5.000 2.525 2.235 3.432 . 0 0 "[ . 1 . 2]" 2 1585 1 137 MET QB 1 137 MET ME 2.900 . 3.900 2.298 2.108 2.648 . 0 0 "[ . 1 . 2]" 2 1586 1 137 MET ME 1 137 MET QG 3.400 . 4.600 2.232 2.171 2.310 . 0 0 "[ . 1 . 2]" 2 1587 1 137 MET ME 1 141 LEU QD 3.200 . 4.000 3.720 3.256 4.066 0.066 14 0 "[ . 1 . 2]" 2 1588 1 138 GLY QA 1 141 LEU QB 4.600 . 5.700 3.449 3.103 3.698 . 0 0 "[ . 1 . 2]" 2 1589 1 139 TRP HA 1 139 TRP HD1 3.200 . 4.300 2.237 2.142 2.311 . 0 0 "[ . 1 . 2]" 2 1590 1 140 THR HA 1 143 PHE QB 4.500 . 5.600 3.281 2.921 3.515 . 0 0 "[ . 1 . 2]" 2 1591 1 141 LEU HA 1 141 LEU QD 3.700 . 4.100 2.245 1.987 2.922 . 0 0 "[ . 1 . 2]" 2 1592 1 141 LEU HA 1 141 LEU HG 3.900 . 5.300 2.923 2.305 3.746 . 0 0 "[ . 1 . 2]" 2 1593 1 141 LEU HA 1 144 LEU QB 3.600 . 4.500 2.380 2.229 2.809 . 0 0 "[ . 1 . 2]" 2 1594 1 141 LEU HA 1 144 LEU QD 3.500 . 4.700 2.997 2.395 3.382 . 0 0 "[ . 1 . 2]" 2 1595 1 141 LEU QD 1 144 LEU QB 3.700 . 4.600 3.286 2.867 4.158 . 0 0 "[ . 1 . 2]" 2 1596 1 141 LEU QD 1 144 LEU QD 2.800 . 3.800 2.609 2.103 3.471 . 0 0 "[ . 1 . 2]" 2 1597 1 142 ASP HA 1 143 PHE HA 4.500 2.900 6.100 4.808 4.735 4.911 . 0 0 "[ . 1 . 2]" 2 1598 1 142 ASP HA 1 145 ARG HA 4.500 2.900 6.100 5.889 5.673 6.142 0.042 8 0 "[ . 1 . 2]" 2 1599 1 142 ASP HA 1 145 ARG QB 4.100 . 5.100 3.165 2.895 4.248 . 0 0 "[ . 1 . 2]" 2 1600 1 142 ASP HA 1 145 ARG QD 3.800 . 5.100 4.138 2.630 4.718 . 0 0 "[ . 1 . 2]" 2 1601 1 142 ASP HA 1 146 GLU QG 4.200 . 5.300 3.784 3.291 5.485 0.185 8 0 "[ . 1 . 2]" 2 1602 1 143 PHE HA 1 143 PHE QD 3.900 . 5.300 2.917 2.669 3.044 . 0 0 "[ . 1 . 2]" 2 1603 1 143 PHE HA 1 146 GLU QB 3.800 . 4.700 2.872 2.348 4.300 . 0 0 "[ . 1 . 2]" 2 1604 1 143 PHE QE 1 148 LEU HG 4.000 . 5.000 3.940 2.613 5.077 0.077 17 0 "[ . 1 . 2]" 2 1605 1 144 LEU HA 1 144 LEU QD 3.300 . 4.400 2.606 2.259 3.018 . 0 0 "[ . 1 . 2]" 2 1606 1 144 LEU HA 1 144 LEU HG 3.300 . 4.400 2.842 2.280 3.595 . 0 0 "[ . 1 . 2]" 2 1607 1 144 LEU HA 1 148 LEU QD 3.400 . 4.600 2.856 2.304 3.940 . 0 0 "[ . 1 . 2]" 2 1608 1 144 LEU QD 1 148 LEU QD 2.900 . 3.900 2.550 1.886 3.074 . 0 0 "[ . 1 . 2]" 2 1609 1 144 LEU QD 1 149 LEU HA 4.000 . 5.400 3.620 2.561 5.026 . 0 0 "[ . 1 . 2]" 2 1610 1 144 LEU QD 1 152 ILE MD 3.000 . 3.800 2.306 1.990 3.083 . 0 0 "[ . 1 . 2]" 2 1611 1 144 LEU QD 1 152 ILE MG 3.900 . 4.900 4.116 3.270 4.780 . 0 0 "[ . 1 . 2]" 2 1612 1 144 LEU QD 1 158 TRP HH2 3.500 . 4.700 2.642 2.181 3.742 . 0 0 "[ . 1 . 2]" 2 1613 1 144 LEU QD 1 158 TRP HZ2 3.300 . 4.100 2.768 2.280 3.430 . 0 0 "[ . 1 . 2]" 2 1614 1 144 LEU HG 1 152 ILE MD 3.800 . 4.800 3.671 2.761 4.844 0.044 3 0 "[ . 1 . 2]" 2 1615 1 145 ARG HA 1 145 ARG QD 3.600 . 4.900 3.986 3.483 4.248 . 0 0 "[ . 1 . 2]" 2 1616 1 145 ARG QD 1 146 GLU QG 4.000 . 5.400 4.259 3.056 6.277 0.877 12 1 "[ . 1 + . 2]" 2 1617 1 145 ARG QD 1 149 LEU QD 3.400 . 4.200 3.856 3.224 4.224 0.024 16 0 "[ . 1 . 2]" 2 1618 1 145 ARG QG 1 146 GLU QG 4.100 . 5.500 3.728 2.133 5.187 . 0 0 "[ . 1 . 2]" 2 1619 1 146 GLU HA 1 146 GLU QG 3.200 . 4.300 2.540 2.300 3.300 . 0 0 "[ . 1 . 2]" 2 1620 1 146 GLU QB 1 147 ARG QG 3.800 . 4.900 3.085 2.584 4.966 0.066 8 0 "[ . 1 . 2]" 2 1621 1 146 GLU QG 1 147 ARG QG 4.100 . 5.500 4.606 2.279 5.555 0.055 14 0 "[ . 1 . 2]" 2 1622 1 147 ARG HA 1 147 ARG QG 3.400 . 4.600 2.458 2.190 3.090 . 0 0 "[ . 1 . 2]" 2 1623 1 147 ARG QB 1 148 LEU QD 3.900 . 5.300 2.962 2.468 3.595 . 0 0 "[ . 1 . 2]" 2 1624 1 147 ARG QG 1 148 LEU QD 4.000 . 5.400 4.509 2.685 5.144 . 0 0 "[ . 1 . 2]" 2 1625 1 148 LEU HA 1 148 LEU QD 3.600 . 4.000 2.137 1.870 2.216 . 0 0 "[ . 1 . 2]" 2 1626 1 148 LEU HA 1 148 LEU HG 3.900 . 5.300 2.901 2.349 3.571 . 0 0 "[ . 1 . 2]" 2 1627 1 148 LEU HA 1 151 TRP QB 4.500 . 5.600 3.126 2.536 3.611 . 0 0 "[ . 1 . 2]" 2 1628 1 148 LEU QD 1 152 ILE MD 3.700 . 4.600 2.902 2.209 4.000 . 0 0 "[ . 1 . 2]" 2 1629 1 148 LEU QD 1 151 TRP HE3 4.500 . 5.600 4.373 2.283 6.129 0.529 9 1 "[ . +1 . 2]" 2 1630 1 148 LEU QD 1 151 TRP HH2 4.300 . 5.400 5.127 2.242 7.012 1.612 9 5 "[ - .* +1 *.* 2]" 2 1631 1 149 LEU HA 1 149 LEU QD 3.100 . 4.200 2.197 1.884 2.500 . 0 0 "[ . 1 . 2]" 2 1632 1 149 LEU HA 1 149 LEU HG 3.600 . 4.900 2.683 2.281 3.589 . 0 0 "[ . 1 . 2]" 2 1633 1 149 LEU HA 1 152 ILE MD 3.800 . 5.100 2.805 2.146 3.939 . 0 0 "[ . 1 . 2]" 2 1634 1 149 LEU HA 1 152 ILE MG 4.400 . 5.500 4.181 2.623 4.624 . 0 0 "[ . 1 . 2]" 2 1635 1 149 LEU QD 1 150 GLY QA 3.700 . 5.000 3.678 2.873 4.107 . 0 0 "[ . 1 . 2]" 2 1636 1 149 LEU QD 1 152 ILE HB 4.100 . 5.500 3.609 3.050 4.137 . 0 0 "[ . 1 . 2]" 2 1637 1 149 LEU QD 1 152 ILE MD 3.600 . 4.500 3.497 2.884 3.855 . 0 0 "[ . 1 . 2]" 2 1638 1 149 LEU QD 1 153 GLN QG 3.600 . 4.500 4.028 2.299 4.598 0.098 10 0 "[ . 1 . 2]" 2 1639 1 151 TRP HA 1 151 TRP HD1 3.600 . 4.900 3.340 2.284 4.130 . 0 0 "[ . 1 . 2]" 2 1640 1 151 TRP HA 1 154 ASP QB 3.700 . 4.600 3.044 2.692 3.616 . 0 0 "[ . 1 . 2]" 2 1641 1 151 TRP HD1 1 154 ASP QB 4.400 . 5.500 4.911 4.168 5.547 0.047 3 0 "[ . 1 . 2]" 2 1642 1 152 ILE HA 1 152 ILE MD 3.900 . 5.300 3.799 3.729 3.844 . 0 0 "[ . 1 . 2]" 2 1643 1 152 ILE HA 1 152 ILE MG 3.400 . 4.600 2.418 2.318 3.173 . 0 0 "[ . 1 . 2]" 2 1644 1 152 ILE MD 1 152 ILE MG 3.000 . 4.100 1.937 1.818 2.009 . 0 0 "[ . 1 . 2]" 2 1645 1 152 ILE MD 1 158 TRP HZ2 4.000 . 5.000 3.403 2.566 3.879 . 0 0 "[ . 1 . 2]" 2 1646 1 152 ILE MG 1 153 GLN HA 4.100 . 5.500 3.543 3.093 3.750 . 0 0 "[ . 1 . 2]" 2 1647 1 152 ILE MG 1 157 GLY QA 3.600 . 4.900 3.097 2.511 3.991 . 0 0 "[ . 1 . 2]" 2 1648 1 152 ILE MG 1 158 TRP HD1 4.500 . 5.600 4.824 3.816 5.542 . 0 0 "[ . 1 . 2]" 2 1649 1 153 GLN HA 1 153 GLN QG 3.700 . 4.900 2.519 2.230 3.320 . 0 0 "[ . 1 . 2]" 2 1650 1 158 TRP HZ3 1 161 LEU QD 3.900 . 5.300 2.901 2.406 3.767 . 0 0 "[ . 1 . 2]" 2 1651 1 161 LEU HA 1 164 TYR QB 4.500 . 5.600 3.363 3.012 3.586 . 0 0 "[ . 1 . 2]" 2 1652 1 162 LEU HA 1 162 LEU QD 3.000 . 4.000 2.176 1.985 2.248 . 0 0 "[ . 1 . 2]" 2 1653 1 162 LEU HA 1 162 LEU HG 3.500 . 4.700 2.927 2.377 3.648 . 0 0 "[ . 1 . 2]" 2 1654 1 162 LEU HA 1 165 PHE QB 4.500 . 5.600 2.492 2.295 3.243 . 0 0 "[ . 1 . 2]" 2 1655 1 162 LEU HA 1 165 PHE QD 4.100 . 5.100 3.249 2.327 4.440 . 0 0 "[ . 1 . 2]" 2 1656 1 164 TYR HA 1 164 TYR QD 3.700 . 5.000 2.588 2.366 2.983 . 0 0 "[ . 1 . 2]" 2 1657 1 164 TYR HA 1 164 TYR QE 4.600 . 6.200 4.540 4.395 4.753 . 0 0 "[ . 1 . 2]" 2 1658 1 164 TYR HA 1 165 PHE QB 4.600 . 6.200 5.355 5.205 5.479 . 0 0 "[ . 1 . 2]" 2 1659 1 164 TYR QD 1 173 VAL QG 4.300 . 5.400 4.167 3.496 5.150 . 0 0 "[ . 1 . 2]" 2 1660 1 164 TYR QE 1 165 PHE QE 4.200 . 5.700 4.608 3.483 5.724 0.024 16 0 "[ . 1 . 2]" 2 1661 1 164 TYR QE 1 173 VAL QG 3.500 . 4.400 2.978 2.109 3.843 . 0 0 "[ . 1 . 2]" 2 1662 1 164 TYR QE 1 177 VAL QG 4.200 . 5.700 5.131 4.761 5.411 . 0 0 "[ . 1 . 2]" 2 1663 1 165 PHE HA 1 165 PHE QD 3.500 . 4.700 2.549 2.231 3.004 . 0 0 "[ . 1 . 2]" 2 1664 1 165 PHE HA 1 173 VAL QG 4.100 . 5.100 3.975 2.910 5.121 0.021 12 0 "[ . 1 . 2]" 2 1665 1 165 PHE QD 1 173 VAL QG 4.000 . 5.000 3.397 2.353 4.418 . 0 0 "[ . 1 . 2]" 2 1666 1 165 PHE QE 1 173 VAL QG 4.300 . 5.400 2.487 2.057 3.403 . 0 0 "[ . 1 . 2]" 2 1667 1 165 PHE QE 1 173 VAL QG 4.500 . 5.600 2.625 2.156 3.762 . 0 0 "[ . 1 . 2]" 2 1668 1 170 TRP HA 1 170 TRP HD1 4.400 . 5.900 3.615 2.429 4.449 . 0 0 "[ . 1 . 2]" 2 1669 1 170 TRP HA 1 170 TRP HE3 4.000 . 5.400 4.356 2.496 5.121 . 0 0 "[ . 1 . 2]" 2 1670 1 170 TRP HA 1 173 VAL HB 3.900 2.500 5.300 3.616 2.676 5.161 . 0 0 "[ . 1 . 2]" 2 1671 1 170 TRP HA 1 173 VAL QG 3.600 . 4.800 3.056 2.127 3.636 . 0 0 "[ . 1 . 2]" 2 1672 1 171 GLN HA 1 174 THR MG 4.100 . 5.100 3.410 2.572 4.203 . 0 0 "[ . 1 . 2]" 2 1673 1 171 GLN QB 1 174 THR MG 4.400 . 5.500 4.819 4.241 5.489 . 0 0 "[ . 1 . 2]" 2 1674 1 171 GLN QB 1 175 ILE MD 3.900 . 5.300 3.420 2.618 4.579 . 0 0 "[ . 1 . 2]" 2 1675 1 172 THR HA 1 172 THR MG 2.900 . 3.900 2.511 2.246 3.209 . 0 0 "[ . 1 . 2]" 2 1676 1 172 THR HA 1 175 ILE MD 3.300 . 4.100 2.756 2.270 3.147 . 0 0 "[ . 1 . 2]" 2 1677 1 172 THR HA 1 175 ILE MD 3.100 . 3.900 2.723 2.256 3.052 . 0 0 "[ . 1 . 2]" 2 1678 1 172 THR HA 1 175 ILE QG 4.200 2.700 5.700 3.743 2.154 4.201 0.546 20 2 "[ -. 1 . +]" 2 1679 1 172 THR HA 1 175 ILE MG 3.900 . 5.300 4.320 3.914 4.548 . 0 0 "[ . 1 . 2]" 2 1680 1 172 THR HB 1 173 VAL QG 3.900 . 5.300 3.617 3.229 4.647 . 0 0 "[ . 1 . 2]" 2 1681 1 172 THR HB 1 175 ILE MD 4.200 . 5.300 5.207 4.081 5.418 0.118 18 0 "[ . 1 . 2]" 2 1682 1 172 THR MG 1 175 ILE MD 3.500 . 4.700 4.209 2.678 5.176 0.476 1 0 "[ . 1 . 2]" 2 1683 1 172 THR MG 1 175 ILE MG 4.200 . 5.300 4.863 4.440 6.033 0.733 1 1 "[+ . 1 . 2]" 2 1684 1 173 VAL HA 1 173 VAL QG 3.000 . 4.100 2.134 2.085 2.330 . 0 0 "[ . 1 . 2]" 2 1685 1 173 VAL HA 1 176 PHE QB 3.900 . 4.800 2.290 2.136 2.712 . 0 0 "[ . 1 . 2]" 2 1686 1 173 VAL QG 1 177 VAL QG 3.400 . 4.300 2.731 2.176 3.972 . 0 0 "[ . 1 . 2]" 2 1687 1 174 THR HA 1 174 THR MG 3.100 . 4.200 2.323 2.261 2.397 . 0 0 "[ . 1 . 2]" 2 1688 1 175 ILE HA 1 175 ILE MD 3.200 . 4.300 3.873 3.804 4.134 . 0 0 "[ . 1 . 2]" 2 1689 1 175 ILE HA 1 175 ILE QG 3.400 . 4.600 2.503 2.338 3.279 . 0 0 "[ . 1 . 2]" 2 1690 1 175 ILE HA 1 175 ILE MG 3.000 . 4.000 2.376 2.241 2.447 . 0 0 "[ . 1 . 2]" 2 1691 1 175 ILE HB 1 175 ILE MD 3.100 . 4.200 2.268 2.232 2.302 . 0 0 "[ . 1 . 2]" 2 1692 1 175 ILE MD 1 175 ILE MG 2.800 . 3.800 1.907 1.844 1.991 . 0 0 "[ . 1 . 2]" 2 1693 1 175 ILE QG 1 175 ILE MG 3.100 . 4.200 2.255 2.228 2.292 . 0 0 "[ . 1 . 2]" 2 1694 1 175 ILE MG 1 176 PHE HA 3.800 . 5.100 3.882 3.555 5.555 0.455 20 0 "[ . 1 . 2]" 2 1695 1 175 ILE MG 1 176 PHE QB 4.600 . 6.200 4.654 4.469 5.408 . 0 0 "[ . 1 . 2]" 2 1696 1 176 PHE HA 1 176 PHE QD 3.700 . 5.000 2.693 2.294 3.013 . 0 0 "[ . 1 . 2]" 2 1697 1 176 PHE QD 1 177 VAL QG 3.900 . 5.300 2.821 2.175 4.060 . 0 0 "[ . 1 . 2]" 2 1698 1 176 PHE QD 1 180 VAL QG 3.800 . 4.700 3.336 2.340 4.073 . 0 0 "[ . 1 . 2]" 2 1699 1 176 PHE QE 1 180 VAL QG 3.800 . 4.700 3.383 2.554 4.191 . 0 0 "[ . 1 . 2]" 2 1700 1 176 PHE HZ 1 180 VAL QG 4.000 . 5.000 4.339 3.547 5.092 0.092 12 0 "[ . 1 . 2]" 2 1701 1 177 VAL HA 1 180 VAL QG 3.700 . 4.600 2.892 2.127 3.790 . 0 0 "[ . 1 . 2]" 2 1702 1 177 VAL QG 1 180 VAL QG 3.600 . 4.900 3.567 2.784 4.142 . 0 0 "[ . 1 . 2]" 2 1703 1 178 ALA HA 1 181 LEU QD 3.500 . 4.400 3.370 2.336 4.484 0.084 19 0 "[ . 1 . 2]" 2 1704 1 178 ALA MB 1 181 LEU QD 4.200 . 5.200 4.363 3.632 5.226 0.026 19 0 "[ . 1 . 2]" 2 1705 1 179 GLY QA 1 182 THR MG 3.600 . 4.500 3.920 3.288 4.366 . 0 0 "[ . 1 . 2]" 2 1706 1 180 VAL HA 1 180 VAL QG 3.000 . 4.000 2.224 2.093 2.477 . 0 0 "[ . 1 . 2]" 2 1707 1 181 LEU HA 1 181 LEU QD 3.500 . 4.300 2.147 1.933 2.310 . 0 0 "[ . 1 . 2]" 2 1708 1 181 LEU HA 1 184 SER QB 4.100 . 5.100 3.627 3.202 4.315 . 0 0 "[ . 1 . 2]" 2 1709 1 181 LEU QD 1 185 LEU QD 3.500 . 4.700 3.112 1.886 4.142 . 0 0 "[ . 1 . 2]" 2 1710 1 182 THR HA 1 182 THR MG 2.900 . 3.900 2.305 2.275 2.338 . 0 0 "[ . 1 . 2]" 2 1711 1 182 THR HA 1 183 ALA HA 4.800 3.100 6.500 4.851 4.810 4.905 . 0 0 "[ . 1 . 2]" 2 1712 1 182 THR HA 1 185 LEU QB 4.200 . 5.300 2.446 2.287 2.682 . 0 0 "[ . 1 . 2]" 2 1713 1 182 THR HA 1 185 LEU QD 3.600 . 4.900 2.771 2.307 3.494 . 0 0 "[ . 1 . 2]" 2 1714 1 182 THR HB 1 183 ALA MB 3.700 . 5.000 4.475 4.024 5.001 0.001 18 0 "[ . 1 . 2]" 2 1715 1 183 ALA HA 1 186 THR MG 3.500 . 4.400 3.558 2.207 4.432 0.032 7 0 "[ . 1 . 2]" 2 1716 1 183 ALA MB 1 184 SER HA 3.900 . 5.300 3.851 3.793 3.929 . 0 0 "[ . 1 . 2]" 2 1717 1 184 SER HA 1 187 ILE MD 3.800 . 5.100 3.298 2.247 4.714 . 0 0 "[ . 1 . 2]" 2 1718 1 184 SER HA 1 187 ILE MG 4.200 . 5.700 3.212 2.339 4.272 . 0 0 "[ . 1 . 2]" 2 1719 1 185 LEU HA 1 185 LEU QD 3.900 . 4.100 2.077 1.941 2.146 . 0 0 "[ . 1 . 2]" 2 1720 1 185 LEU HA 1 188 TRP HD1 4.100 2.700 5.500 4.461 3.699 5.396 . 0 0 "[ . 1 . 2]" 2 1721 1 185 LEU QD 1 188 TRP HD1 3.900 . 4.900 4.344 3.499 4.973 0.073 7 0 "[ . 1 . 2]" 2 1722 1 185 LEU QD 1 188 TRP HE3 4.300 . 5.400 6.477 4.396 7.482 2.082 20 16 "[ ** .***-********* +]" 2 1723 1 186 THR HA 1 186 THR MG 2.900 . 3.900 2.442 2.191 3.216 . 0 0 "[ . 1 . 2]" 2 1724 1 187 ILE HA 1 187 ILE MD 3.300 . 4.500 3.897 3.384 4.174 . 0 0 "[ . 1 . 2]" 2 1725 1 187 ILE HA 1 187 ILE MG 3.000 . 4.000 2.797 2.275 3.211 . 0 0 "[ . 1 . 2]" 2 1726 1 187 ILE HB 1 187 ILE MD 3.200 . 4.300 2.360 2.239 2.514 . 0 0 "[ . 1 . 2]" 2 1727 1 187 ILE MD 1 187 ILE MG 2.800 . 3.800 2.006 1.852 3.207 . 0 0 "[ . 1 . 2]" 2 1728 1 187 ILE MG 1 188 TRP HA 4.100 . 5.500 3.960 2.765 5.560 0.060 15 0 "[ . 1 . 2]" 2 1729 1 188 TRP HA 1 188 TRP HD1 3.800 . 5.100 3.963 2.797 4.777 . 0 0 "[ . 1 . 2]" 2 1730 1 188 TRP HA 1 188 TRP HE3 3.700 . 5.000 3.208 2.292 4.571 . 0 0 "[ . 1 . 2]" 2 1731 1 189 LYS HA 1 189 LYS QD 3.200 . 4.300 3.597 2.306 4.175 . 0 0 "[ . 1 . 2]" 2 1732 1 189 LYS HA 1 189 LYS QG 3.100 . 4.200 2.368 2.185 3.351 . 0 0 "[ . 1 . 2]" 2 1733 1 189 LYS QB 1 189 LYS QE 3.500 . 4.700 2.891 2.068 3.818 . 0 0 "[ . 1 . 2]" 2 1734 1 189 LYS QE 1 189 LYS QG 2.500 . 3.400 2.308 2.122 2.869 . 0 0 "[ . 1 . 2]" 2 1735 1 190 LYS HA 1 190 LYS QG 3.400 . 4.100 2.640 2.266 3.328 . 0 0 "[ . 1 . 2]" 2 1736 1 190 LYS HA 1 191 MET HA 3.500 2.300 4.700 4.589 4.400 4.768 0.068 14 0 "[ . 1 . 2]" 2 1737 1 190 LYS QB 1 190 LYS QE 3.600 . 4.800 3.262 2.256 3.857 . 0 0 "[ . 1 . 2]" 2 1738 1 190 LYS QD 1 191 MET QG 4.400 . 5.400 4.633 2.732 5.473 0.073 17 0 "[ . 1 . 2]" 2 1739 1 190 LYS QG 1 191 MET QG 4.500 . 6.100 4.129 2.339 5.548 . 0 0 "[ . 1 . 2]" 2 1740 1 191 MET HA 1 191 MET ME 4.400 . 5.900 4.347 3.604 5.230 . 0 0 "[ . 1 . 2]" 2 1741 1 191 MET QB 1 192 GLY QA 4.100 . 5.500 3.925 3.430 4.481 . 0 0 "[ . 1 . 2]" 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 178 _Distance_constraint_stats_list.Viol_count 424 _Distance_constraint_stats_list.Viol_total 503.231 _Distance_constraint_stats_list.Viol_max 0.293 _Distance_constraint_stats_list.Viol_rms 0.0259 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0071 _Distance_constraint_stats_list.Viol_average_violations_only 0.0593 _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 16 SER 0.342 0.129 14 0 "[ . 1 . 2]" 1 17 GLU 0.109 0.053 17 0 "[ . 1 . 2]" 1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 MET 0.342 0.129 14 0 "[ . 1 . 2]" 1 21 LYS 0.836 0.154 17 0 "[ . 1 . 2]" 1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 GLY 0.489 0.083 2 0 "[ . 1 . 2]" 1 24 ALA 0.285 0.073 17 0 "[ . 1 . 2]" 1 25 LEU 0.727 0.154 17 0 "[ . 1 . 2]" 1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 LEU 0.494 0.083 2 0 "[ . 1 . 2]" 1 28 GLN 0.285 0.073 17 0 "[ . 1 . 2]" 1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 PHE 0.270 0.125 7 0 "[ . 1 . 2]" 1 31 ILE 0.005 0.004 7 0 "[ . 1 . 2]" 1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 ARG 0.270 0.125 7 0 "[ . 1 . 2]" 1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 ALA 0.307 0.080 5 0 "[ . 1 . 2]" 1 55 SER 0.093 0.023 7 0 "[ . 1 . 2]" 1 56 THR 0.435 0.093 7 0 "[ . 1 . 2]" 1 57 LYS 1.056 0.091 11 0 "[ . 1 . 2]" 1 58 LYS 1.029 0.101 7 0 "[ . 1 . 2]" 1 59 LEU 0.720 0.075 8 0 "[ . 1 . 2]" 1 60 SER 0.435 0.093 7 0 "[ . 1 . 2]" 1 61 GLU 1.056 0.091 11 0 "[ . 1 . 2]" 1 62 CYS 0.741 0.101 7 0 "[ . 1 . 2]" 1 63 LEU 0.627 0.075 8 0 "[ . 1 . 2]" 1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 ARG 0.359 0.074 16 0 "[ . 1 . 2]" 1 66 ILE 0.019 0.019 1 0 "[ . 1 . 2]" 1 67 GLY 0.558 0.079 20 0 "[ . 1 . 2]" 1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 69 GLU 0.359 0.074 16 0 "[ . 1 . 2]" 1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 ASP 0.558 0.079 20 0 "[ . 1 . 2]" 1 74 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 0.221 0.108 9 0 "[ . 1 . 2]" 1 76 LEU 0.009 0.006 3 0 "[ . 1 . 2]" 1 77 GLN 1.267 0.101 14 0 "[ . 1 . 2]" 1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 79 MET 0.221 0.108 9 0 "[ . 1 . 2]" 1 80 ILE 0.009 0.006 3 0 "[ . 1 . 2]" 1 81 ALA 1.267 0.101 14 0 "[ . 1 . 2]" 1 89 ARG 0.004 0.004 16 0 "[ . 1 . 2]" 1 90 GLU 0.050 0.050 5 0 "[ . 1 . 2]" 1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 PHE 0.076 0.021 13 0 "[ . 1 . 2]" 1 93 PHE 0.004 0.004 16 0 "[ . 1 . 2]" 1 94 ARG 0.050 0.050 5 0 "[ . 1 . 2]" 1 95 VAL 0.010 0.010 1 0 "[ . 1 . 2]" 1 96 ALA 0.076 0.021 13 0 "[ . 1 . 2]" 1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 MET 0.010 0.010 1 0 "[ . 1 . 2]" 1 108 GLY 3.629 0.293 18 0 "[ . 1 . 2]" 1 109 ARG 0.098 0.045 7 0 "[ . 1 . 2]" 1 110 VAL 0.123 0.067 6 0 "[ . 1 . 2]" 1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 112 ALA 3.658 0.293 18 0 "[ . 1 . 2]" 1 113 LEU 0.098 0.045 7 0 "[ . 1 . 2]" 1 114 PHE 0.123 0.067 6 0 "[ . 1 . 2]" 1 115 TYR 0.481 0.121 7 0 "[ . 1 . 2]" 1 116 PHE 1.648 0.144 2 0 "[ . 1 . 2]" 1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 LYS 0.490 0.121 7 0 "[ . 1 . 2]" 1 120 LEU 1.618 0.144 2 0 "[ . 1 . 2]" 1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 122 LEU 0.400 0.142 12 0 "[ . 1 . 2]" 1 123 LYS 0.009 0.009 14 0 "[ . 1 . 2]" 1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 CYS 0.400 0.142 12 0 "[ . 1 . 2]" 1 130 PRO 2.019 0.185 10 0 "[ . 1 . 2]" 1 131 GLU 1.308 0.138 19 0 "[ . 1 . 2]" 1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 ILE 0.020 0.013 3 0 "[ . 1 . 2]" 1 134 ARG 2.227 0.185 10 0 "[ . 1 . 2]" 1 135 THR 1.809 0.138 19 0 "[ . 1 . 2]" 1 136 ILE 0.026 0.026 20 0 "[ . 1 . 2]" 1 137 MET 0.020 0.013 3 0 "[ . 1 . 2]" 1 138 GLY 0.229 0.057 3 0 "[ . 1 . 2]" 1 139 TRP 0.513 0.103 3 0 "[ . 1 . 2]" 1 140 THR 0.026 0.026 20 0 "[ . 1 . 2]" 1 141 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 142 ASP 0.021 0.021 8 0 "[ . 1 . 2]" 1 143 PHE 0.012 0.012 3 0 "[ . 1 . 2]" 1 144 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 145 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 146 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 149 LEU 0.072 0.072 1 0 "[ . 1 . 2]" 1 150 GLY 0.395 0.075 19 0 "[ . 1 . 2]" 1 153 GLN 0.072 0.072 1 0 "[ . 1 . 2]" 1 154 ASP 0.395 0.075 19 0 "[ . 1 . 2]" 1 158 TRP 2.277 0.263 3 0 "[ . 1 . 2]" 1 159 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 160 GLY 0.043 0.023 7 0 "[ . 1 . 2]" 1 162 LEU 2.277 0.263 3 0 "[ . 1 . 2]" 1 163 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 164 TYR 0.043 0.023 7 0 "[ . 1 . 2]" 1 170 TRP 0.185 0.053 20 0 "[ . 1 . 2]" 1 171 GLN 0.079 0.026 13 0 "[ . 1 . 2]" 1 172 THR 0.234 0.100 1 0 "[ . 1 . 2]" 1 173 VAL 0.113 0.060 18 0 "[ . 1 . 2]" 1 174 THR 0.512 0.107 13 0 "[ . 1 . 2]" 1 175 ILE 0.079 0.026 13 0 "[ . 1 . 2]" 1 176 PHE 0.234 0.100 1 0 "[ . 1 . 2]" 1 177 VAL 0.157 0.060 18 0 "[ . 1 . 2]" 1 178 ALA 0.326 0.107 13 0 "[ . 1 . 2]" 1 179 GLY 0.292 0.041 1 0 "[ . 1 . 2]" 1 180 VAL 1.109 0.123 2 0 "[ . 1 . 2]" 1 181 LEU 0.190 0.092 15 0 "[ . 1 . 2]" 1 182 THR 0.009 0.009 2 0 "[ . 1 . 2]" 1 183 ALA 0.401 0.063 11 0 "[ . 1 . 2]" 1 184 SER 2.294 0.220 15 0 "[ . 1 . 2]" 1 185 LEU 0.147 0.092 15 0 "[ . 1 . 2]" 1 186 THR 0.009 0.009 2 0 "[ . 1 . 2]" 1 187 ILE 0.108 0.063 11 0 "[ . 1 . 2]" 1 188 TRP 1.185 0.220 15 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 16 SER O 1 20 MET H 1.900 . 2.500 2.405 1.650 2.629 0.129 14 0 "[ . 1 . 2]" 3 2 1 16 SER O 1 20 MET N 2.900 2.400 3.600 3.314 2.625 3.518 . 0 0 "[ . 1 . 2]" 3 3 1 17 GLU O 1 21 LYS H 1.900 . 2.500 2.320 2.001 2.553 0.053 17 0 "[ . 1 . 2]" 3 4 1 17 GLU O 1 21 LYS N 2.900 2.400 3.600 3.227 2.930 3.434 . 0 0 "[ . 1 . 2]" 3 5 1 18 GLN O 1 22 THR H 1.900 . 2.500 2.083 1.771 2.306 . 0 0 "[ . 1 . 2]" 3 6 1 18 GLN O 1 22 THR N 2.900 2.400 3.600 3.030 2.750 3.278 . 0 0 "[ . 1 . 2]" 3 7 1 19 ILE O 1 23 GLY H 1.900 . 2.500 2.010 1.731 2.287 . 0 0 "[ . 1 . 2]" 3 8 1 19 ILE O 1 23 GLY N 2.900 2.400 3.600 2.925 2.677 3.155 . 0 0 "[ . 1 . 2]" 3 9 1 20 MET O 1 24 ALA H 1.900 . 2.500 2.200 1.897 2.489 . 0 0 "[ . 1 . 2]" 3 10 1 20 MET O 1 24 ALA N 2.900 2.400 3.600 3.129 2.870 3.404 . 0 0 "[ . 1 . 2]" 3 11 1 21 LYS O 1 25 LEU H 1.900 . 2.500 2.404 2.041 2.654 0.154 17 0 "[ . 1 . 2]" 3 12 1 21 LYS O 1 25 LEU N 2.900 2.400 3.600 3.145 2.834 3.405 . 0 0 "[ . 1 . 2]" 3 13 1 22 THR O 1 26 LEU H 1.900 . 2.500 1.955 1.709 2.278 . 0 0 "[ . 1 . 2]" 3 14 1 22 THR O 1 26 LEU N 2.900 2.400 3.600 2.901 2.570 3.225 . 0 0 "[ . 1 . 2]" 3 15 1 23 GLY O 1 27 LEU H 1.900 . 2.500 2.464 2.097 2.583 0.083 2 0 "[ . 1 . 2]" 3 16 1 23 GLY O 1 27 LEU N 2.900 2.400 3.600 3.418 3.059 3.527 . 0 0 "[ . 1 . 2]" 3 17 1 24 ALA O 1 28 GLN H 1.900 . 2.500 2.472 2.297 2.573 0.073 17 0 "[ . 1 . 2]" 3 18 1 24 ALA O 1 28 GLN N 2.900 2.400 3.600 3.380 3.190 3.496 . 0 0 "[ . 1 . 2]" 3 19 1 25 LEU O 1 29 GLY H 1.900 . 2.500 1.833 1.502 2.079 . 0 0 "[ . 1 . 2]" 3 20 1 25 LEU O 1 29 GLY N 2.900 2.400 3.600 2.734 2.453 2.947 . 0 0 "[ . 1 . 2]" 3 21 1 26 LEU O 1 30 PHE H 1.900 . 2.500 1.861 1.589 2.200 . 0 0 "[ . 1 . 2]" 3 22 1 26 LEU O 1 30 PHE N 2.900 2.400 3.600 2.814 2.561 3.147 . 0 0 "[ . 1 . 2]" 3 23 1 27 LEU O 1 31 ILE H 1.900 . 2.500 1.980 1.527 2.504 0.004 7 0 "[ . 1 . 2]" 3 24 1 27 LEU O 1 31 ILE N 2.900 2.400 3.600 2.832 2.444 3.307 . 0 0 "[ . 1 . 2]" 3 25 1 28 GLN O 1 32 GLN H 1.900 . 2.500 2.139 1.811 2.383 . 0 0 "[ . 1 . 2]" 3 26 1 28 GLN O 1 32 GLN N 2.900 2.400 3.600 3.073 2.733 3.288 . 0 0 "[ . 1 . 2]" 3 27 1 29 GLY O 1 33 ASP H 1.900 . 2.500 2.039 1.624 2.480 . 0 0 "[ . 1 . 2]" 3 28 1 29 GLY O 1 33 ASP N 2.900 2.400 3.600 2.945 2.581 3.230 . 0 0 "[ . 1 . 2]" 3 29 1 30 PHE O 1 34 ARG H 1.900 . 2.500 2.413 2.151 2.625 0.125 7 0 "[ . 1 . 2]" 3 30 1 30 PHE O 1 34 ARG N 2.900 2.400 3.600 3.306 3.062 3.507 . 0 0 "[ . 1 . 2]" 3 31 1 31 ILE O 1 35 ALA H 1.900 . 2.500 1.983 1.608 2.290 . 0 0 "[ . 1 . 2]" 3 32 1 31 ILE O 1 35 ALA N 2.900 2.400 3.600 2.769 2.483 3.012 . 0 0 "[ . 1 . 2]" 3 33 1 54 ALA O 1 58 LYS H 1.900 . 2.500 2.428 2.120 2.580 0.080 5 0 "[ . 1 . 2]" 3 34 1 54 ALA O 1 58 LYS N 2.900 2.400 3.600 3.353 3.078 3.475 . 0 0 "[ . 1 . 2]" 3 35 1 55 SER O 1 59 LEU H 1.900 . 2.500 2.393 2.060 2.523 0.023 7 0 "[ . 1 . 2]" 3 36 1 55 SER O 1 59 LEU N 2.900 2.400 3.600 3.354 2.997 3.495 . 0 0 "[ . 1 . 2]" 3 37 1 56 THR O 1 60 SER H 1.900 . 2.500 2.335 2.025 2.593 0.093 7 0 "[ . 1 . 2]" 3 38 1 56 THR O 1 60 SER N 2.900 2.400 3.600 3.022 2.748 3.231 . 0 0 "[ . 1 . 2]" 3 39 1 57 LYS O 1 61 GLU H 1.900 . 2.500 2.551 2.471 2.591 0.091 11 0 "[ . 1 . 2]" 3 40 1 57 LYS O 1 61 GLU N 2.900 2.400 3.600 3.369 3.260 3.495 . 0 0 "[ . 1 . 2]" 3 41 1 58 LYS O 1 62 CYS H 1.900 . 2.500 2.511 2.295 2.601 0.101 7 0 "[ . 1 . 2]" 3 42 1 58 LYS O 1 62 CYS N 2.900 2.400 3.600 3.370 3.185 3.496 . 0 0 "[ . 1 . 2]" 3 43 1 59 LEU O 1 63 LEU H 1.900 . 2.500 2.512 2.367 2.575 0.075 8 0 "[ . 1 . 2]" 3 44 1 59 LEU O 1 63 LEU N 2.900 2.400 3.600 3.467 3.338 3.544 . 0 0 "[ . 1 . 2]" 3 45 1 60 SER O 1 64 LYS H 1.900 . 2.500 2.018 1.621 2.455 . 0 0 "[ . 1 . 2]" 3 46 1 60 SER O 1 64 LYS N 2.900 2.400 3.600 2.824 2.549 3.258 . 0 0 "[ . 1 . 2]" 3 47 1 61 GLU O 1 65 ARG H 1.900 . 2.500 1.781 1.603 1.984 . 0 0 "[ . 1 . 2]" 3 48 1 61 GLU O 1 65 ARG N 2.900 2.400 3.600 2.732 2.582 2.932 . 0 0 "[ . 1 . 2]" 3 49 1 62 CYS O 1 66 ILE H 1.900 . 2.500 2.161 1.713 2.519 0.019 1 0 "[ . 1 . 2]" 3 50 1 62 CYS O 1 66 ILE N 2.900 2.400 3.600 3.099 2.694 3.414 . 0 0 "[ . 1 . 2]" 3 51 1 63 LEU O 1 67 GLY H 1.900 . 2.500 2.259 1.887 2.489 . 0 0 "[ . 1 . 2]" 3 52 1 63 LEU O 1 67 GLY N 2.900 2.400 3.600 3.041 2.711 3.347 . 0 0 "[ . 1 . 2]" 3 53 1 64 LYS O 1 68 ASP H 1.900 . 2.500 2.078 1.805 2.495 . 0 0 "[ . 1 . 2]" 3 54 1 64 LYS O 1 68 ASP N 2.900 2.400 3.600 2.979 2.768 3.202 . 0 0 "[ . 1 . 2]" 3 55 1 65 ARG O 1 69 GLU H 1.900 . 2.500 2.439 2.034 2.574 0.074 16 0 "[ . 1 . 2]" 3 56 1 65 ARG O 1 69 GLU N 2.900 2.400 3.600 3.254 2.937 3.527 . 0 0 "[ . 1 . 2]" 3 57 1 66 ILE O 1 70 LEU H 1.900 . 2.500 1.895 1.571 2.318 . 0 0 "[ . 1 . 2]" 3 58 1 66 ILE O 1 70 LEU N 2.900 2.400 3.600 2.734 2.436 3.070 . 0 0 "[ . 1 . 2]" 3 59 1 67 GLY O 1 71 ASP H 1.900 . 2.500 2.460 1.844 2.579 0.079 20 0 "[ . 1 . 2]" 3 60 1 67 GLY O 1 71 ASP N 2.900 2.400 3.600 3.320 2.783 3.468 . 0 0 "[ . 1 . 2]" 3 61 1 74 MET O 1 78 ARG H 1.900 . 2.500 2.252 1.970 2.465 . 0 0 "[ . 1 . 2]" 3 62 1 74 MET O 1 78 ARG N 2.900 2.400 3.600 3.033 2.835 3.245 . 0 0 "[ . 1 . 2]" 3 63 1 75 GLU O 1 79 MET H 1.900 . 2.500 2.165 1.849 2.608 0.108 9 0 "[ . 1 . 2]" 3 64 1 75 GLU O 1 79 MET N 2.900 2.400 3.600 3.051 2.803 3.468 . 0 0 "[ . 1 . 2]" 3 65 1 76 LEU O 1 80 ILE H 1.900 . 2.500 2.167 1.586 2.506 0.006 3 0 "[ . 1 . 2]" 3 66 1 76 LEU O 1 80 ILE N 2.900 2.400 3.600 3.132 2.543 3.462 . 0 0 "[ . 1 . 2]" 3 67 1 77 GLN O 1 81 ALA H 1.900 . 2.500 2.563 2.498 2.601 0.101 14 0 "[ . 1 . 2]" 3 68 1 77 GLN O 1 81 ALA N 2.900 2.400 3.600 3.356 3.267 3.413 . 0 0 "[ . 1 . 2]" 3 69 1 89 ARG O 1 93 PHE H 1.900 . 2.500 2.250 2.084 2.504 0.004 16 0 "[ . 1 . 2]" 3 70 1 89 ARG O 1 93 PHE N 2.900 2.400 3.600 3.201 3.014 3.459 . 0 0 "[ . 1 . 2]" 3 71 1 90 GLU O 1 94 ARG H 1.900 . 2.500 2.047 1.679 2.550 0.050 5 0 "[ . 1 . 2]" 3 72 1 90 GLU O 1 94 ARG N 2.900 2.400 3.600 2.920 2.593 3.390 . 0 0 "[ . 1 . 2]" 3 73 1 91 VAL O 1 95 VAL H 1.900 . 2.500 1.729 1.591 1.935 . 0 0 "[ . 1 . 2]" 3 74 1 91 VAL O 1 95 VAL N 2.900 2.400 3.600 2.668 2.529 2.821 . 0 0 "[ . 1 . 2]" 3 75 1 92 PHE O 1 96 ALA H 1.900 . 2.500 2.281 2.009 2.521 0.021 13 0 "[ . 1 . 2]" 3 76 1 92 PHE O 1 96 ALA N 2.900 2.400 3.600 3.160 2.913 3.374 . 0 0 "[ . 1 . 2]" 3 77 1 93 PHE O 1 97 ALA H 1.900 . 2.500 2.158 1.871 2.425 . 0 0 "[ . 1 . 2]" 3 78 1 93 PHE O 1 97 ALA N 2.900 2.400 3.600 3.030 2.760 3.262 . 0 0 "[ . 1 . 2]" 3 79 1 94 ARG O 1 98 ASP H 1.900 . 2.500 2.138 1.836 2.470 . 0 0 "[ . 1 . 2]" 3 80 1 94 ARG O 1 98 ASP N 2.900 2.400 3.600 3.005 2.727 3.343 . 0 0 "[ . 1 . 2]" 3 81 1 95 VAL O 1 99 MET H 1.900 . 2.500 2.182 1.814 2.510 0.010 1 0 "[ . 1 . 2]" 3 82 1 95 VAL O 1 99 MET N 2.900 2.400 3.600 3.102 2.786 3.345 . 0 0 "[ . 1 . 2]" 3 83 1 108 GLY O 1 112 ALA H 1.900 . 2.500 2.366 1.569 2.793 0.293 18 0 "[ . 1 . 2]" 3 84 1 108 GLY O 1 112 ALA N 2.900 2.400 3.600 3.303 2.501 3.730 0.130 18 0 "[ . 1 . 2]" 3 85 1 109 ARG O 1 113 LEU H 1.900 . 2.500 2.321 1.625 2.545 0.045 7 0 "[ . 1 . 2]" 3 86 1 109 ARG O 1 113 LEU N 2.900 2.400 3.600 3.069 2.583 3.396 . 0 0 "[ . 1 . 2]" 3 87 1 110 VAL O 1 114 PHE H 1.900 . 2.500 2.224 1.924 2.567 0.067 6 0 "[ . 1 . 2]" 3 88 1 110 VAL O 1 114 PHE N 2.900 2.400 3.600 3.171 2.864 3.549 . 0 0 "[ . 1 . 2]" 3 89 1 111 VAL O 1 115 TYR H 1.900 . 2.500 2.206 1.898 2.448 . 0 0 "[ . 1 . 2]" 3 90 1 111 VAL O 1 115 TYR N 2.900 2.400 3.600 3.149 2.857 3.386 . 0 0 "[ . 1 . 2]" 3 91 1 112 ALA O 1 116 PHE H 1.900 . 2.500 2.172 1.730 2.519 0.019 1 0 "[ . 1 . 2]" 3 92 1 112 ALA O 1 116 PHE N 2.900 2.400 3.600 3.075 2.626 3.388 . 0 0 "[ . 1 . 2]" 3 93 1 113 LEU O 1 117 ALA H 1.900 . 2.500 2.061 1.891 2.368 . 0 0 "[ . 1 . 2]" 3 94 1 113 LEU O 1 117 ALA N 2.900 2.400 3.600 3.028 2.858 3.322 . 0 0 "[ . 1 . 2]" 3 95 1 114 PHE O 1 118 SER H 1.900 . 2.500 2.157 1.861 2.486 . 0 0 "[ . 1 . 2]" 3 96 1 114 PHE O 1 118 SER N 2.900 2.400 3.600 3.016 2.718 3.356 . 0 0 "[ . 1 . 2]" 3 97 1 115 TYR O 1 119 LYS H 1.900 . 2.500 2.497 2.371 2.621 0.121 7 0 "[ . 1 . 2]" 3 98 1 115 TYR O 1 119 LYS N 2.900 2.400 3.600 3.394 3.282 3.515 . 0 0 "[ . 1 . 2]" 3 99 1 116 PHE O 1 120 LEU H 1.900 . 2.500 2.581 2.531 2.644 0.144 2 0 "[ . 1 . 2]" 3 100 1 116 PHE O 1 120 LEU N 2.900 2.400 3.600 3.529 3.452 3.597 . 0 0 "[ . 1 . 2]" 3 101 1 117 ALA O 1 121 VAL H 1.900 . 2.500 1.910 1.767 2.179 . 0 0 "[ . 1 . 2]" 3 102 1 117 ALA O 1 121 VAL N 2.900 2.400 3.600 2.867 2.724 3.145 . 0 0 "[ . 1 . 2]" 3 103 1 118 SER O 1 122 LEU H 1.900 . 2.500 1.730 1.600 1.999 . 0 0 "[ . 1 . 2]" 3 104 1 118 SER O 1 122 LEU N 2.900 2.400 3.600 2.652 2.510 2.917 . 0 0 "[ . 1 . 2]" 3 105 1 119 LYS O 1 123 LYS H 1.900 . 2.500 1.735 1.491 2.117 0.009 14 0 "[ . 1 . 2]" 3 106 1 119 LYS O 1 123 LYS N 2.900 2.400 3.600 2.608 2.416 2.856 . 0 0 "[ . 1 . 2]" 3 107 1 120 LEU O 1 124 ALA H 1.900 . 2.500 2.363 2.172 2.498 . 0 0 "[ . 1 . 2]" 3 108 1 120 LEU O 1 124 ALA N 2.900 2.400 3.600 3.133 2.996 3.236 . 0 0 "[ . 1 . 2]" 3 109 1 121 VAL O 1 125 LEU H 1.900 . 2.500 2.057 1.884 2.223 . 0 0 "[ . 1 . 2]" 3 110 1 121 VAL O 1 125 LEU N 2.900 2.400 3.600 2.896 2.731 3.064 . 0 0 "[ . 1 . 2]" 3 111 1 122 LEU O 1 126 CYS H 1.900 . 2.500 2.373 2.107 2.642 0.142 12 0 "[ . 1 . 2]" 3 112 1 122 LEU O 1 126 CYS N 2.900 2.400 3.600 3.301 3.055 3.595 . 0 0 "[ . 1 . 2]" 3 113 1 130 PRO O 1 134 ARG H 1.900 . 2.500 2.590 2.366 2.685 0.185 10 0 "[ . 1 . 2]" 3 114 1 130 PRO O 1 134 ARG N 2.900 2.400 3.600 3.552 3.344 3.642 0.042 14 0 "[ . 1 . 2]" 3 115 1 131 GLU O 1 135 THR H 1.900 . 2.500 2.562 2.425 2.638 0.138 19 0 "[ . 1 . 2]" 3 116 1 131 GLU O 1 135 THR N 2.900 2.400 3.600 3.445 3.297 3.518 . 0 0 "[ . 1 . 2]" 3 117 1 132 LEU O 1 136 ILE H 1.900 . 2.500 1.995 1.686 2.182 . 0 0 "[ . 1 . 2]" 3 118 1 132 LEU O 1 136 ILE N 2.900 2.400 3.600 2.842 2.648 3.032 . 0 0 "[ . 1 . 2]" 3 119 1 133 ILE O 1 137 MET H 1.900 . 2.500 2.357 2.024 2.513 0.013 3 0 "[ . 1 . 2]" 3 120 1 133 ILE O 1 137 MET N 2.900 2.400 3.600 3.232 2.934 3.379 . 0 0 "[ . 1 . 2]" 3 121 1 134 ARG O 1 138 GLY H 1.900 . 2.500 2.340 1.882 2.557 0.057 3 0 "[ . 1 . 2]" 3 122 1 134 ARG O 1 138 GLY N 2.900 2.400 3.600 3.138 2.756 3.383 . 0 0 "[ . 1 . 2]" 3 123 1 135 THR O 1 139 TRP H 1.900 . 2.500 2.490 2.355 2.603 0.103 3 0 "[ . 1 . 2]" 3 124 1 135 THR O 1 139 TRP N 2.900 2.400 3.600 3.374 3.181 3.515 . 0 0 "[ . 1 . 2]" 3 125 1 136 ILE O 1 140 THR H 1.900 . 2.500 2.344 2.047 2.526 0.026 20 0 "[ . 1 . 2]" 3 126 1 136 ILE O 1 140 THR N 2.900 2.400 3.600 3.193 2.955 3.328 . 0 0 "[ . 1 . 2]" 3 127 1 137 MET O 1 141 LEU H 1.900 . 2.500 2.150 1.847 2.412 . 0 0 "[ . 1 . 2]" 3 128 1 137 MET O 1 141 LEU N 2.900 2.400 3.600 3.109 2.810 3.377 . 0 0 "[ . 1 . 2]" 3 129 1 138 GLY O 1 142 ASP H 1.900 . 2.500 2.249 1.894 2.521 0.021 8 0 "[ . 1 . 2]" 3 130 1 138 GLY O 1 142 ASP N 2.900 2.400 3.600 3.069 2.784 3.298 . 0 0 "[ . 1 . 2]" 3 131 1 139 TRP O 1 143 PHE H 1.900 . 2.500 2.343 2.115 2.512 0.012 3 0 "[ . 1 . 2]" 3 132 1 139 TRP O 1 143 PHE N 2.900 2.400 3.600 3.259 3.066 3.412 . 0 0 "[ . 1 . 2]" 3 133 1 140 THR O 1 144 LEU H 1.900 . 2.500 2.022 1.686 2.375 . 0 0 "[ . 1 . 2]" 3 134 1 140 THR O 1 144 LEU N 2.900 2.400 3.600 2.956 2.635 3.324 . 0 0 "[ . 1 . 2]" 3 135 1 141 LEU O 1 145 ARG H 1.900 . 2.500 1.896 1.683 2.217 . 0 0 "[ . 1 . 2]" 3 136 1 141 LEU O 1 145 ARG N 2.900 2.400 3.600 2.837 2.629 3.132 . 0 0 "[ . 1 . 2]" 3 137 1 142 ASP O 1 146 GLU H 1.900 . 2.500 2.076 1.725 2.452 . 0 0 "[ . 1 . 2]" 3 138 1 142 ASP O 1 146 GLU N 2.900 2.400 3.600 2.968 2.661 3.313 . 0 0 "[ . 1 . 2]" 3 139 1 149 LEU O 1 153 GLN H 1.900 . 2.500 2.229 2.047 2.572 0.072 1 0 "[ . 1 . 2]" 3 140 1 149 LEU O 1 153 GLN N 2.900 2.400 3.600 3.121 2.876 3.383 . 0 0 "[ . 1 . 2]" 3 141 1 150 GLY O 1 154 ASP H 1.900 . 2.500 2.436 2.211 2.575 0.075 19 0 "[ . 1 . 2]" 3 142 1 150 GLY O 1 154 ASP N 2.900 2.400 3.600 3.364 3.112 3.516 . 0 0 "[ . 1 . 2]" 3 143 1 158 TRP O 1 162 LEU H 1.900 . 2.500 2.606 2.468 2.763 0.263 3 0 "[ . 1 . 2]" 3 144 1 158 TRP O 1 162 LEU N 2.900 2.400 3.600 3.524 3.413 3.680 0.080 3 0 "[ . 1 . 2]" 3 145 1 159 ASP O 1 163 SER H 1.900 . 2.500 1.821 1.522 2.104 . 0 0 "[ . 1 . 2]" 3 146 1 159 ASP O 1 163 SER N 2.900 2.400 3.600 2.743 2.495 2.980 . 0 0 "[ . 1 . 2]" 3 147 1 160 GLY O 1 164 TYR H 1.900 . 2.500 2.285 2.004 2.523 0.023 7 0 "[ . 1 . 2]" 3 148 1 160 GLY O 1 164 TYR N 2.900 2.400 3.600 3.073 2.784 3.287 . 0 0 "[ . 1 . 2]" 3 149 1 170 TRP O 1 174 THR H 1.900 . 2.500 2.371 1.899 2.553 0.053 20 0 "[ . 1 . 2]" 3 150 1 170 TRP O 1 174 THR N 2.900 2.400 3.600 3.266 2.755 3.484 . 0 0 "[ . 1 . 2]" 3 151 1 171 GLN O 1 175 ILE H 1.900 . 2.500 2.380 2.142 2.526 0.026 13 0 "[ . 1 . 2]" 3 152 1 171 GLN O 1 175 ILE N 2.900 2.400 3.600 3.275 3.045 3.414 . 0 0 "[ . 1 . 2]" 3 153 1 172 THR O 1 176 PHE H 1.900 . 2.500 2.095 1.762 2.600 0.100 1 0 "[ . 1 . 2]" 3 154 1 172 THR O 1 176 PHE N 2.900 2.400 3.600 2.883 2.654 3.306 . 0 0 "[ . 1 . 2]" 3 155 1 173 VAL O 1 177 VAL H 1.900 . 2.500 2.213 1.984 2.560 0.060 18 0 "[ . 1 . 2]" 3 156 1 173 VAL O 1 177 VAL N 2.900 2.400 3.600 3.137 2.892 3.498 . 0 0 "[ . 1 . 2]" 3 157 1 174 THR O 1 178 ALA H 1.900 . 2.500 2.347 2.054 2.607 0.107 13 0 "[ . 1 . 2]" 3 158 1 174 THR O 1 178 ALA N 2.900 2.400 3.600 3.171 2.883 3.414 . 0 0 "[ . 1 . 2]" 3 159 1 175 ILE O 1 179 GLY H 1.900 . 2.500 2.110 1.894 2.324 . 0 0 "[ . 1 . 2]" 3 160 1 175 ILE O 1 179 GLY N 2.900 2.400 3.600 2.965 2.760 3.157 . 0 0 "[ . 1 . 2]" 3 161 1 176 PHE O 1 180 VAL H 1.900 . 2.500 2.256 1.840 2.484 . 0 0 "[ . 1 . 2]" 3 162 1 176 PHE O 1 180 VAL N 2.900 2.400 3.600 3.155 2.812 3.363 . 0 0 "[ . 1 . 2]" 3 163 1 177 VAL O 1 181 LEU H 1.900 . 2.500 2.202 1.588 2.527 0.027 10 0 "[ . 1 . 2]" 3 164 1 177 VAL O 1 181 LEU N 2.900 2.400 3.600 3.101 2.521 3.420 . 0 0 "[ . 1 . 2]" 3 165 1 178 ALA O 1 182 THR H 1.900 . 2.500 2.144 1.919 2.273 . 0 0 "[ . 1 . 2]" 3 166 1 178 ALA O 1 182 THR N 2.900 2.400 3.600 3.069 2.836 3.196 . 0 0 "[ . 1 . 2]" 3 167 1 179 GLY O 1 183 ALA H 1.900 . 2.500 2.434 2.131 2.541 0.041 1 0 "[ . 1 . 2]" 3 168 1 179 GLY O 1 183 ALA N 2.900 2.400 3.600 3.304 3.023 3.428 . 0 0 "[ . 1 . 2]" 3 169 1 180 VAL O 1 184 SER H 1.900 . 2.500 2.546 2.424 2.623 0.123 2 0 "[ . 1 . 2]" 3 170 1 180 VAL O 1 184 SER N 2.900 2.400 3.600 3.480 3.336 3.565 . 0 0 "[ . 1 . 2]" 3 171 1 181 LEU O 1 185 LEU H 1.900 . 2.500 2.319 1.786 2.592 0.092 15 0 "[ . 1 . 2]" 3 172 1 181 LEU O 1 185 LEU N 2.900 2.400 3.600 3.242 2.766 3.515 . 0 0 "[ . 1 . 2]" 3 173 1 182 THR O 1 186 THR H 1.900 . 2.500 1.878 1.491 2.177 0.009 2 0 "[ . 1 . 2]" 3 174 1 182 THR O 1 186 THR N 2.900 2.400 3.600 2.723 2.424 3.015 . 0 0 "[ . 1 . 2]" 3 175 1 183 ALA O 1 187 ILE H 1.900 . 2.500 2.204 1.783 2.563 0.063 11 0 "[ . 1 . 2]" 3 176 1 183 ALA O 1 187 ILE N 2.900 2.400 3.600 2.992 2.718 3.321 . 0 0 "[ . 1 . 2]" 3 177 1 184 SER O 1 188 TRP H 1.900 . 2.500 2.399 1.948 2.720 0.220 15 0 "[ . 1 . 2]" 3 178 1 184 SER O 1 188 TRP N 2.900 2.400 3.600 3.301 2.864 3.601 0.001 9 0 "[ . 1 . 2]" 3 stop_ save_
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