NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
428554 | 2i94 | 7293 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i94 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 1282 _Distance_constraint_stats_list.Viol_count 795 _Distance_constraint_stats_list.Viol_total 679.254 _Distance_constraint_stats_list.Viol_max 0.735 _Distance_constraint_stats_list.Viol_rms 0.0291 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0053 _Distance_constraint_stats_list.Viol_average_violations_only 0.0854 _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 8 ALA 0.000 0.000 . 0 "[ . 1]" 1 9 LEU 0.601 0.081 4 0 "[ . 1]" 1 10 SER 0.412 0.068 6 0 "[ . 1]" 1 11 LYS 0.689 0.134 3 0 "[ . 1]" 1 12 GLU 1.075 0.081 4 0 "[ . 1]" 1 13 ILE 1.153 0.100 7 0 "[ . 1]" 1 14 LEU 1.117 0.134 3 0 "[ . 1]" 1 15 GLU 0.552 0.058 7 0 "[ . 1]" 1 16 GLU 0.411 0.100 7 0 "[ . 1]" 1 17 LEU 0.021 0.021 10 0 "[ . 1]" 1 18 GLN 0.000 0.000 . 0 "[ . 1]" 1 19 LEU 0.000 0.000 . 0 "[ . 1]" 1 20 ASN 0.000 0.000 . 0 "[ . 1]" 1 21 THR 0.000 0.000 . 0 "[ . 1]" 1 22 LYS 0.000 0.000 . 0 "[ . 1]" 1 23 PHE 0.177 0.053 9 0 "[ . 1]" 1 24 THR 0.177 0.053 9 0 "[ . 1]" 1 25 GLU 0.000 0.000 . 0 "[ . 1]" 1 26 GLU 0.081 0.081 10 0 "[ . 1]" 1 27 GLU 0.452 0.068 10 0 "[ . 1]" 1 28 LEU 0.879 0.128 2 0 "[ . 1]" 1 29 SER 0.485 0.081 10 0 "[ . 1]" 1 30 SER 0.841 0.122 7 0 "[ . 1]" 1 31 TRP 0.537 0.128 2 0 "[ . 1]" 1 32 TYR 1.336 0.148 5 0 "[ . 1]" 1 33 GLN 1.240 0.122 7 0 "[ . 1]" 1 34 SER 0.489 0.127 1 0 "[ . 1]" 1 35 PHE 1.542 0.148 5 0 "[ . 1]" 1 36 LEU 0.509 0.117 1 0 "[ . 1]" 1 37 LYS 0.864 0.127 1 0 "[ . 1]" 1 38 GLU 0.985 0.124 7 0 "[ . 1]" 1 39 CYS 0.000 0.000 . 0 "[ . 1]" 1 40 PRO 0.000 0.000 . 0 "[ . 1]" 1 41 SER 0.000 0.000 . 0 "[ . 1]" 1 42 GLY 0.055 0.055 1 0 "[ . 1]" 1 43 ARG 0.291 0.075 8 0 "[ . 1]" 1 44 ILE 0.000 0.000 . 0 "[ . 1]" 1 45 THR 0.000 0.000 . 0 "[ . 1]" 1 46 ARG 0.597 0.141 3 0 "[ . 1]" 1 47 GLN 0.734 0.134 7 0 "[ . 1]" 1 48 GLU 0.875 0.081 4 0 "[ . 1]" 1 49 PHE 1.334 0.141 3 0 "[ . 1]" 1 50 GLN 0.995 0.134 7 0 "[ . 1]" 1 51 THR 0.246 0.068 10 0 "[ . 1]" 1 52 ILE 1.204 0.185 10 0 "[ . 1]" 1 53 TYR 0.553 0.120 8 0 "[ . 1]" 1 54 SER 0.000 0.000 . 0 "[ . 1]" 1 55 LYS 1.096 0.185 10 0 "[ . 1]" 1 56 PHE 0.459 0.120 8 0 "[ . 1]" 1 57 PHE 0.167 0.082 4 0 "[ . 1]" 1 58 PRO 0.000 0.000 . 0 "[ . 1]" 1 59 GLU 0.334 0.057 7 0 "[ . 1]" 1 60 ALA 1.968 0.300 4 0 "[ . 1]" 1 61 ASP 0.123 0.036 9 0 "[ . 1]" 1 62 PRO 0.000 0.000 . 0 "[ . 1]" 1 63 LYS 2.273 0.387 5 0 "[ . 1]" 1 64 ALA 0.424 0.108 4 0 "[ . 1]" 1 65 TYR 0.042 0.042 2 0 "[ . 1]" 1 66 ALA 2.231 0.735 4 1 "[ +. 1]" 1 67 GLN 1.745 0.214 2 0 "[ . 1]" 1 68 HIS 2.638 0.232 2 0 "[ . 1]" 1 69 VAL 1.589 0.735 4 1 "[ +. 1]" 1 70 PHE 1.849 0.218 1 0 "[ . 1]" 1 71 ARG 0.050 0.044 6 0 "[ . 1]" 1 72 SER 0.085 0.085 7 0 "[ . 1]" 1 73 PHE 1.510 0.218 1 0 "[ . 1]" 1 74 ASP 3.970 0.545 4 3 "[* +. -]" 1 75 ALA 3.970 0.545 4 3 "[* +. -]" 1 76 ASN 0.000 0.000 . 0 "[ . 1]" 1 77 SER 0.274 0.111 7 0 "[ . 1]" 1 78 ASP 0.049 0.035 3 0 "[ . 1]" 1 79 GLY 0.407 0.111 7 0 "[ . 1]" 1 80 THR 2.172 0.306 5 0 "[ . 1]" 1 81 LEU 1.633 0.306 5 0 "[ . 1]" 1 82 ASP 0.000 0.000 . 0 "[ . 1]" 1 83 PHE 0.034 0.034 6 0 "[ . 1]" 1 84 LYS 0.694 0.129 6 0 "[ . 1]" 1 85 GLU 0.082 0.064 8 0 "[ . 1]" 1 86 TYR 1.464 0.169 2 0 "[ . 1]" 1 87 VAL 1.328 0.129 6 0 "[ . 1]" 1 88 ILE 0.082 0.064 8 0 "[ . 1]" 1 89 ALA 1.108 0.169 2 0 "[ . 1]" 1 90 LEU 0.049 0.049 3 0 "[ . 1]" 1 91 HIS 0.000 0.000 . 0 "[ . 1]" 1 92 MET 0.264 0.108 5 0 "[ . 1]" 1 93 THR 0.000 0.000 . 0 "[ . 1]" 1 94 SER 0.000 0.000 . 0 "[ . 1]" 1 95 ALA 0.000 0.000 . 0 "[ . 1]" 1 96 GLY 0.000 0.000 . 0 "[ . 1]" 1 101 LYS 0.062 0.045 7 0 "[ . 1]" 1 102 LEU 0.000 0.000 . 0 "[ . 1]" 1 103 GLU 0.317 0.049 3 0 "[ . 1]" 1 104 TRP 0.427 0.080 9 0 "[ . 1]" 1 105 ALA 0.148 0.078 4 0 "[ . 1]" 1 106 PHE 0.317 0.049 3 0 "[ . 1]" 1 107 SER 1.459 0.172 1 0 "[ . 1]" 1 108 LEU 0.655 0.078 4 0 "[ . 1]" 1 109 TYR 0.000 0.000 . 0 "[ . 1]" 1 110 ASP 1.165 0.299 1 0 "[ . 1]" 1 111 VAL 2.006 0.393 4 0 "[ . 1]" 1 112 ASP 1.885 0.393 4 0 "[ . 1]" 1 113 GLY 0.966 0.402 1 0 "[ . 1]" 1 114 ASN 3.346 0.420 1 0 "[ . 1]" 1 115 GLY 3.562 0.420 1 0 "[ . 1]" 1 116 THR 2.028 0.274 3 0 "[ . 1]" 1 117 ILE 0.150 0.077 10 0 "[ . 1]" 1 118 SER 0.012 0.012 8 0 "[ . 1]" 1 119 LYS 1.326 0.164 1 0 "[ . 1]" 1 120 ASN 0.912 0.155 3 0 "[ . 1]" 1 121 GLU 0.920 0.174 1 0 "[ . 1]" 1 122 VAL 3.325 0.352 3 0 "[ . 1]" 1 123 LEU 3.211 0.352 3 0 "[ . 1]" 1 124 GLU 1.021 0.174 1 0 "[ . 1]" 1 125 ILE 0.318 0.054 1 0 "[ . 1]" 1 126 VAL 1.159 0.204 7 0 "[ . 1]" 1 127 THR 0.264 0.067 3 0 "[ . 1]" 1 128 ALA 0.301 0.054 1 0 "[ . 1]" 1 129 ILE 2.014 0.232 2 0 "[ . 1]" 1 130 PHE 0.409 0.204 7 0 "[ . 1]" 1 131 LYS 0.087 0.024 6 0 "[ . 1]" 1 132 MET 3.215 0.387 5 0 "[ . 1]" 1 133 ILE 0.387 0.080 7 0 "[ . 1]" 1 134 SER 0.000 0.000 . 0 "[ . 1]" 1 135 PRO 0.000 0.000 . 0 "[ . 1]" 1 136 GLU 0.191 0.062 8 0 "[ . 1]" 1 137 ASP 0.302 0.068 10 0 "[ . 1]" 1 138 THR 0.511 0.081 2 0 "[ . 1]" 1 139 LYS 0.000 0.000 . 0 "[ . 1]" 1 140 HIS 0.227 0.068 10 0 "[ . 1]" 1 141 LEU 0.240 0.081 2 0 "[ . 1]" 1 142 PRO 0.098 0.098 4 0 "[ . 1]" 1 143 GLU 0.098 0.098 4 0 "[ . 1]" 1 144 ASP 0.000 0.000 . 0 "[ . 1]" 1 145 GLU 0.579 0.165 5 0 "[ . 1]" 1 146 ASN 0.352 0.165 5 0 "[ . 1]" 1 147 THR 1.705 0.291 5 0 "[ . 1]" 1 148 PRO 0.375 0.095 4 0 "[ . 1]" 1 149 GLU 0.813 0.138 10 0 "[ . 1]" 1 150 LYS 3.336 0.291 5 0 "[ . 1]" 1 151 ARG 0.603 0.095 4 0 "[ . 1]" 1 152 ALA 1.321 0.138 10 0 "[ . 1]" 1 153 GLU 2.517 0.210 4 0 "[ . 1]" 1 154 LYS 0.000 0.000 . 0 "[ . 1]" 1 155 ILE 1.840 0.217 3 0 "[ . 1]" 1 156 TRP 2.636 0.441 5 0 "[ . 1]" 1 157 GLY 0.000 0.000 . 0 "[ . 1]" 1 158 PHE 1.332 0.217 3 0 "[ . 1]" 1 159 PHE 0.038 0.038 5 0 "[ . 1]" 1 160 GLY 0.545 0.178 10 0 "[ . 1]" 1 161 LYS 1.375 0.178 10 0 "[ . 1]" 1 162 LYS 0.000 0.000 . 0 "[ . 1]" 1 163 ASP 0.000 0.000 . 0 "[ . 1]" 1 164 ASP 0.921 0.262 7 0 "[ . 1]" 1 165 ASP 2.679 0.286 10 0 "[ . 1]" 1 166 LYS 0.927 0.286 10 0 "[ . 1]" 1 167 LEU 1.744 0.441 5 0 "[ . 1]" 1 168 THR 1.270 0.274 3 0 "[ . 1]" 1 169 GLU 0.000 0.000 . 0 "[ . 1]" 1 170 LYS 1.604 0.218 10 0 "[ . 1]" 1 171 GLU 0.363 0.098 3 0 "[ . 1]" 1 172 PHE 0.978 0.163 10 0 "[ . 1]" 1 173 ILE 3.166 0.218 10 0 "[ . 1]" 1 174 GLU 0.000 0.000 . 0 "[ . 1]" 1 175 GLY 0.437 0.163 10 0 "[ . 1]" 1 176 THR 1.440 0.174 3 0 "[ . 1]" 1 177 LEU 0.316 0.059 5 0 "[ . 1]" 1 178 ALA 0.604 0.060 4 0 "[ . 1]" 1 179 ASN 0.288 0.060 4 0 "[ . 1]" 1 180 LYS 0.296 0.199 3 0 "[ . 1]" 1 181 GLU 0.000 0.000 . 0 "[ . 1]" 1 182 ILE 0.208 0.101 3 0 "[ . 1]" 1 183 LEU 0.298 0.199 3 0 "[ . 1]" 1 184 ARG 0.002 0.002 8 0 "[ . 1]" 1 185 LEU 0.190 0.101 3 0 "[ . 1]" 1 186 ILE 0.038 0.021 4 0 "[ . 1]" 1 187 GLN 0.000 0.000 . 0 "[ . 1]" 1 188 PHE 0.000 0.000 . 0 "[ . 1]" 1 189 GLU 0.000 0.000 . 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 8 ALA HA 1 32 TYR QD 0.000 . 7.000 5.707 4.404 6.470 . 0 0 "[ . 1]" 1 2 1 9 LEU HA 1 10 SER H 0.000 . 3.500 3.527 3.466 3.568 0.068 6 0 "[ . 1]" 1 3 1 9 LEU HA 1 12 GLU QB 0.000 . 4.300 2.921 2.588 3.107 . 0 0 "[ . 1]" 1 4 1 9 LEU HA 1 12 GLU H 0.000 . 3.500 3.496 3.231 3.581 0.081 4 0 "[ . 1]" 1 5 1 9 LEU HA 1 84 LYS QB 0.000 . 6.000 5.031 4.729 5.178 . 0 0 "[ . 1]" 1 6 1 9 LEU QB 1 13 ILE MD 0.000 . 7.500 3.873 3.565 4.196 . 0 0 "[ . 1]" 1 7 1 9 LEU MD1 1 13 ILE MD 0.000 . 8.000 2.329 1.868 2.737 . 0 0 "[ . 1]" 1 8 1 9 LEU MD1 1 13 ILE QG 0.000 . 7.500 3.345 2.117 3.735 . 0 0 "[ . 1]" 1 9 1 9 LEU MD1 1 13 ILE MG 0.000 . 5.700 4.700 3.954 5.021 . 0 0 "[ . 1]" 1 10 1 9 LEU MD1 1 28 LEU MD2 0.000 . 6.300 5.067 2.999 5.427 . 0 0 "[ . 1]" 1 11 1 9 LEU MD1 1 32 TYR HA 0.000 . 6.500 4.238 3.239 5.031 . 0 0 "[ . 1]" 1 12 1 9 LEU MD1 1 32 TYR QB 0.000 . 7.500 3.108 2.055 3.892 . 0 0 "[ . 1]" 1 13 1 9 LEU MD1 1 83 PHE QB 0.000 . 7.500 2.668 2.117 4.296 . 0 0 "[ . 1]" 1 14 1 9 LEU MD1 1 83 PHE QD 0.000 . 8.500 2.012 1.886 2.717 . 0 0 "[ . 1]" 1 15 1 9 LEU MD1 1 83 PHE QE 0.000 . 6.800 3.187 2.076 3.706 . 0 0 "[ . 1]" 1 16 1 9 LEU MD1 1 84 LYS QB 0.000 . 7.500 2.978 2.142 4.036 . 0 0 "[ . 1]" 1 17 1 9 LEU MD1 1 84 LYS QG 0.000 . 7.500 4.300 3.708 5.348 . 0 0 "[ . 1]" 1 18 1 9 LEU MD2 1 10 SER QB 0.000 . 7.500 3.590 3.006 4.714 . 0 0 "[ . 1]" 1 19 1 9 LEU MD2 1 10 SER H 0.000 . 6.500 2.443 1.742 3.401 . 0 0 "[ . 1]" 1 20 1 9 LEU MD2 1 13 ILE MD 0.000 . 8.000 1.927 1.785 2.264 . 0 0 "[ . 1]" 1 21 1 9 LEU MD2 1 13 ILE MG 0.000 . 7.300 3.701 3.483 3.887 . 0 0 "[ . 1]" 1 22 1 9 LEU MD2 1 28 LEU MD2 0.000 . 8.000 3.671 3.320 4.179 . 0 0 "[ . 1]" 1 23 1 9 LEU MD2 1 32 TYR QB 0.000 . 5.800 2.790 2.067 4.178 . 0 0 "[ . 1]" 1 24 1 9 LEU MD2 1 83 PHE QB 0.000 . 7.500 3.888 3.540 4.414 . 0 0 "[ . 1]" 1 25 1 9 LEU MD2 1 83 PHE QD 0.000 . 8.500 2.487 1.958 3.762 . 0 0 "[ . 1]" 1 26 1 9 LEU MD2 1 84 LYS QB 0.000 . 5.800 3.622 2.185 4.509 . 0 0 "[ . 1]" 1 27 1 9 LEU MD2 1 84 LYS QD 0.000 . 7.500 4.804 3.436 6.035 . 0 0 "[ . 1]" 1 28 1 9 LEU H 1 10 SER H 0.000 . 5.000 3.397 2.558 4.103 . 0 0 "[ . 1]" 1 29 1 10 SER HA 1 13 ILE HB 0.000 . 3.300 2.723 2.427 3.320 0.020 5 0 "[ . 1]" 1 30 1 10 SER HA 1 13 ILE MD 0.000 . 6.500 3.052 2.271 3.902 . 0 0 "[ . 1]" 1 31 1 10 SER HA 1 13 ILE H 0.000 . 3.500 3.478 3.384 3.556 0.056 10 0 "[ . 1]" 1 32 1 10 SER QB 1 11 LYS QB 0.000 . 7.000 4.404 3.856 5.035 . 0 0 "[ . 1]" 1 33 1 10 SER QB 1 13 ILE HB 0.000 . 6.000 4.448 4.105 4.703 . 0 0 "[ . 1]" 1 34 1 10 SER QB 1 13 ILE MD 0.000 . 7.500 4.419 3.662 5.248 . 0 0 "[ . 1]" 1 35 1 10 SER QB 1 13 ILE QG 0.000 . 7.000 4.408 3.824 5.417 . 0 0 "[ . 1]" 1 36 1 10 SER QB 1 13 ILE H 0.000 . 6.000 5.002 4.737 5.121 . 0 0 "[ . 1]" 1 37 1 10 SER QB 1 25 GLU QB 0.000 . 7.000 3.803 2.919 4.282 . 0 0 "[ . 1]" 1 38 1 10 SER H 1 11 LYS H 0.000 . 5.000 3.205 2.945 3.542 . 0 0 "[ . 1]" 1 39 1 10 SER H 1 13 ILE MD 0.000 . 5.000 4.093 3.873 4.261 . 0 0 "[ . 1]" 1 40 1 11 LYS HA 1 12 GLU QB 0.000 . 6.000 5.280 5.162 5.423 . 0 0 "[ . 1]" 1 41 1 11 LYS HA 1 14 LEU QB 0.000 . 3.900 2.632 2.350 3.174 . 0 0 "[ . 1]" 1 42 1 11 LYS HA 1 14 LEU H 0.000 . 3.500 3.569 3.505 3.634 0.134 3 0 "[ . 1]" 1 43 1 11 LYS QB 1 12 GLU H 0.000 . 4.500 2.432 2.158 2.785 . 0 0 "[ . 1]" 1 44 1 11 LYS QB 1 14 LEU H 0.000 . 6.000 4.913 4.793 5.104 . 0 0 "[ . 1]" 1 45 1 11 LYS H 1 12 GLU H 0.000 . 5.000 2.827 2.569 2.934 . 0 0 "[ . 1]" 1 46 1 12 GLU HA 1 13 ILE H 0.000 . 3.500 3.536 3.522 3.547 0.047 8 0 "[ . 1]" 1 47 1 12 GLU HA 1 15 GLU QB 0.000 . 3.700 2.523 2.243 2.787 . 0 0 "[ . 1]" 1 48 1 12 GLU HA 1 15 GLU H 0.000 . 3.500 3.428 3.106 3.551 0.051 6 0 "[ . 1]" 1 49 1 12 GLU QB 1 13 ILE MD 0.000 . 5.800 4.061 3.475 4.250 . 0 0 "[ . 1]" 1 50 1 12 GLU QB 1 13 ILE H 0.000 . 4.500 2.213 1.989 2.523 . 0 0 "[ . 1]" 1 51 1 12 GLU QG 1 13 ILE MD 0.000 . 7.500 5.301 4.220 5.574 . 0 0 "[ . 1]" 1 52 1 12 GLU H 1 13 ILE HB 0.000 . 5.000 4.993 4.721 5.076 0.076 5 0 "[ . 1]" 1 53 1 12 GLU H 1 13 ILE H 0.000 . 5.000 2.700 2.589 2.875 . 0 0 "[ . 1]" 1 54 1 13 ILE HA 1 16 GLU QB 0.000 . 4.300 2.380 2.122 3.027 . 0 0 "[ . 1]" 1 55 1 13 ILE HA 1 16 GLU QG 0.000 . 6.000 3.608 2.569 4.310 . 0 0 "[ . 1]" 1 56 1 13 ILE HA 1 16 GLU H 0.000 . 3.500 3.281 2.920 3.552 0.052 3 0 "[ . 1]" 1 57 1 13 ILE HA 1 84 LYS QG 0.000 . 6.000 3.505 3.028 4.009 . 0 0 "[ . 1]" 1 58 1 13 ILE HB 1 14 LEU H 0.000 . 5.000 2.496 2.128 2.775 . 0 0 "[ . 1]" 1 59 1 13 ILE HB 1 16 GLU H 0.000 . 5.000 4.982 4.748 5.100 0.100 7 0 "[ . 1]" 1 60 1 13 ILE HB 1 84 LYS QG 0.000 . 6.000 4.907 4.497 5.200 . 0 0 "[ . 1]" 1 61 1 13 ILE MD 1 16 GLU QG 0.000 . 7.500 5.443 4.923 5.664 . 0 0 "[ . 1]" 1 62 1 13 ILE MD 1 83 PHE QE 0.000 . 8.500 3.317 2.156 3.721 . 0 0 "[ . 1]" 1 63 1 13 ILE MD 1 84 LYS HA 0.000 . 6.500 2.109 1.894 2.629 . 0 0 "[ . 1]" 1 64 1 13 ILE MD 1 84 LYS QB 0.000 . 7.500 2.878 2.350 3.842 . 0 0 "[ . 1]" 1 65 1 13 ILE MD 1 87 VAL HA 0.000 . 6.500 5.271 5.117 5.410 . 0 0 "[ . 1]" 1 66 1 13 ILE MD 1 87 VAL HB 0.000 . 6.500 2.853 2.718 3.052 . 0 0 "[ . 1]" 1 67 1 13 ILE MD 1 87 VAL MG2 0.000 . 8.000 2.664 2.225 2.901 . 0 0 "[ . 1]" 1 68 1 13 ILE MG 1 84 LYS HA 0.000 . 4.800 3.561 2.620 3.887 . 0 0 "[ . 1]" 1 69 1 13 ILE MG 1 88 ILE MD 0.000 . 5.700 2.915 2.242 3.782 . 0 0 "[ . 1]" 1 70 1 13 ILE H 1 14 LEU H 0.000 . 3.500 2.731 2.530 2.866 . 0 0 "[ . 1]" 1 71 1 14 LEU HA 1 15 GLU H 0.000 . 3.500 3.535 3.505 3.558 0.058 2 0 "[ . 1]" 1 72 1 14 LEU HA 1 17 LEU H 0.000 . 3.500 2.849 2.598 3.179 . 0 0 "[ . 1]" 1 73 1 14 LEU HA 1 28 LEU MD2 0.000 . 4.800 4.091 3.992 4.197 . 0 0 "[ . 1]" 1 74 1 14 LEU QB 1 15 GLU H 0.000 . 4.500 2.396 2.155 2.648 . 0 0 "[ . 1]" 1 75 1 14 LEU QB 1 16 GLU QB 0.000 . 7.000 5.327 5.123 5.634 . 0 0 "[ . 1]" 1 76 1 14 LEU QB 1 17 LEU H 0.000 . 4.500 4.350 4.139 4.521 0.021 10 0 "[ . 1]" 1 77 1 14 LEU QD 1 15 GLU H 0.000 . 5.900 3.742 3.089 4.114 . 0 0 "[ . 1]" 1 78 1 14 LEU QD 1 17 LEU HA 0.000 . 5.700 3.533 2.959 4.230 . 0 0 "[ . 1]" 1 79 1 14 LEU QD 1 24 THR HA 0.000 . 7.400 5.100 4.648 5.434 . 0 0 "[ . 1]" 1 80 1 14 LEU QD 1 25 GLU HA 0.000 . 5.700 3.212 2.275 3.900 . 0 0 "[ . 1]" 1 81 1 14 LEU HG 1 15 GLU H 0.000 . 5.000 4.098 3.335 5.058 0.058 7 0 "[ . 1]" 1 82 1 14 LEU H 1 15 GLU H 0.000 . 3.500 2.613 2.462 2.751 . 0 0 "[ . 1]" 1 83 1 15 GLU H 1 16 GLU H 0.000 . 2.900 2.565 2.510 2.621 . 0 0 "[ . 1]" 1 84 1 16 GLU HA 1 17 LEU MD1 0.000 . 4.800 3.684 2.870 3.888 . 0 0 "[ . 1]" 1 85 1 16 GLU HA 1 88 ILE MD 0.000 . 6.500 5.400 5.279 5.520 . 0 0 "[ . 1]" 1 86 1 16 GLU QB 1 17 LEU H 0.000 . 4.500 2.958 2.731 3.165 . 0 0 "[ . 1]" 1 87 1 16 GLU QB 1 88 ILE MD 0.000 . 7.500 3.187 2.739 3.622 . 0 0 "[ . 1]" 1 88 1 16 GLU QG 1 17 LEU H 0.000 . 6.000 4.403 3.185 4.725 . 0 0 "[ . 1]" 1 89 1 16 GLU QG 1 88 ILE MD 0.000 . 7.500 2.720 2.009 3.319 . 0 0 "[ . 1]" 1 90 1 16 GLU H 1 17 LEU H 0.000 . 2.900 2.335 2.234 2.510 . 0 0 "[ . 1]" 1 91 1 17 LEU H 1 18 GLN H 0.000 . 5.000 3.681 2.576 4.674 . 0 0 "[ . 1]" 1 92 1 19 LEU HA 1 20 ASN HA 0.000 . 6.000 4.634 4.318 5.006 . 0 0 "[ . 1]" 1 93 1 20 ASN HA 1 21 THR MG 0.000 . 6.500 4.593 3.344 5.444 . 0 0 "[ . 1]" 1 94 1 20 ASN QB 1 88 ILE MD 0.000 . 7.500 5.208 3.274 5.573 . 0 0 "[ . 1]" 1 95 1 20 ASN QB 1 92 MET ME 0.000 . 7.500 4.508 3.054 5.358 . 0 0 "[ . 1]" 1 96 1 21 THR MG 1 23 PHE H 0.000 . 6.500 4.655 4.043 5.290 . 0 0 "[ . 1]" 1 97 1 22 LYS QB 1 23 PHE HA 0.000 . 6.000 4.716 4.340 5.049 . 0 0 "[ . 1]" 1 98 1 22 LYS QB 1 25 GLU QB 0.000 . 5.300 4.111 3.646 4.392 . 0 0 "[ . 1]" 1 99 1 22 LYS QB 1 95 ALA MB 0.000 . 7.500 5.546 5.363 5.646 . 0 0 "[ . 1]" 1 100 1 22 LYS QE 1 95 ALA MB 0.000 . 7.500 4.956 3.810 5.534 . 0 0 "[ . 1]" 1 101 1 23 PHE HA 1 24 THR MG 0.000 . 6.500 4.401 2.925 5.350 . 0 0 "[ . 1]" 1 102 1 23 PHE HA 1 24 THR H 0.000 . 3.500 3.043 2.195 3.553 0.053 9 0 "[ . 1]" 1 103 1 23 PHE HA 1 27 GLU QB 0.000 . 6.000 5.361 5.149 5.492 . 0 0 "[ . 1]" 1 104 1 23 PHE QB 1 24 THR H 0.000 . 6.000 2.648 1.818 3.973 . 0 0 "[ . 1]" 1 105 1 23 PHE QB 1 28 LEU MD2 0.000 . 7.500 5.488 5.316 5.592 . 0 0 "[ . 1]" 1 106 1 24 THR HA 1 27 GLU QB 0.000 . 6.000 4.677 4.129 5.040 . 0 0 "[ . 1]" 1 107 1 24 THR HB 1 25 GLU H 0.000 . 5.000 4.060 3.717 4.499 . 0 0 "[ . 1]" 1 108 1 24 THR HB 1 26 GLU QB 0.000 . 6.000 3.344 2.636 4.250 . 0 0 "[ . 1]" 1 109 1 24 THR MG 1 25 GLU H 0.000 . 6.500 3.717 2.663 4.426 . 0 0 "[ . 1]" 1 110 1 24 THR MG 1 26 GLU QB 0.000 . 7.500 3.334 2.480 4.305 . 0 0 "[ . 1]" 1 111 1 24 THR MG 1 27 GLU QG 0.000 . 7.500 4.522 3.301 5.433 . 0 0 "[ . 1]" 1 112 1 25 GLU HA 1 28 LEU MD2 0.000 . 4.800 3.214 2.733 3.600 . 0 0 "[ . 1]" 1 113 1 25 GLU H 1 26 GLU H 0.000 . 3.500 2.826 2.415 2.954 . 0 0 "[ . 1]" 1 114 1 26 GLU HA 1 29 SER QB 0.000 . 4.300 2.909 2.482 3.301 . 0 0 "[ . 1]" 1 115 1 26 GLU HA 1 29 SER H 0.000 . 3.500 3.375 3.263 3.581 0.081 10 0 "[ . 1]" 1 116 1 26 GLU QB 1 27 GLU HA 0.000 . 6.000 4.021 3.837 4.548 . 0 0 "[ . 1]" 1 117 1 26 GLU QB 1 27 GLU H 0.000 . 4.500 2.778 2.500 3.756 . 0 0 "[ . 1]" 1 118 1 27 GLU HA 1 28 LEU H 0.000 . 3.500 3.533 3.487 3.568 0.068 10 0 "[ . 1]" 1 119 1 27 GLU HA 1 29 SER H 0.000 . 5.000 3.835 3.528 4.012 . 0 0 "[ . 1]" 1 120 1 27 GLU HA 1 30 SER QB 0.000 . 4.300 3.436 2.970 3.922 . 0 0 "[ . 1]" 1 121 1 27 GLU HA 1 30 SER H 0.000 . 3.500 3.479 3.384 3.561 0.061 7 0 "[ . 1]" 1 122 1 27 GLU QG 1 28 LEU H 0.000 . 6.000 4.089 3.513 4.451 . 0 0 "[ . 1]" 1 123 1 27 GLU H 1 28 LEU H 0.000 . 3.500 2.698 2.554 2.949 . 0 0 "[ . 1]" 1 124 1 28 LEU HA 1 31 TRP QB 0.000 . 4.300 2.448 2.047 2.661 . 0 0 "[ . 1]" 1 125 1 28 LEU HA 1 31 TRP HE3 0.000 . 5.000 3.233 2.621 3.670 . 0 0 "[ . 1]" 1 126 1 28 LEU HA 1 31 TRP H 0.000 . 3.500 3.532 3.304 3.628 0.128 2 0 "[ . 1]" 1 127 1 28 LEU QB 1 29 SER H 0.000 . 6.000 2.959 2.774 3.697 . 0 0 "[ . 1]" 1 128 1 28 LEU MD1 1 29 SER H 0.000 . 6.500 3.826 2.083 4.205 . 0 0 "[ . 1]" 1 129 1 28 LEU MD1 1 87 VAL MG1 0.000 . 6.300 3.086 2.102 4.113 . 0 0 "[ . 1]" 1 130 1 28 LEU MD2 1 29 SER H 0.000 . 6.500 4.879 4.538 5.035 . 0 0 "[ . 1]" 1 131 1 28 LEU MD2 1 31 TRP QB 0.000 . 7.500 5.064 4.829 5.170 . 0 0 "[ . 1]" 1 132 1 28 LEU MD2 1 83 PHE QD 0.000 . 8.500 5.765 5.387 6.150 . 0 0 "[ . 1]" 1 133 1 28 LEU MD2 1 83 PHE QE 0.000 . 8.500 4.541 4.052 4.859 . 0 0 "[ . 1]" 1 134 1 28 LEU MD2 1 84 LYS HA 0.000 . 6.500 5.164 4.776 5.319 . 0 0 "[ . 1]" 1 135 1 28 LEU MD2 1 87 VAL HA 0.000 . 6.500 5.357 5.303 5.404 . 0 0 "[ . 1]" 1 136 1 28 LEU MD2 1 87 VAL MG1 0.000 . 8.000 2.134 2.060 2.227 . 0 0 "[ . 1]" 1 137 1 28 LEU H 1 29 SER H 0.000 . 5.000 2.629 2.509 2.774 . 0 0 "[ . 1]" 1 138 1 29 SER HA 1 30 SER H 0.000 . 5.000 3.578 3.570 3.590 . 0 0 "[ . 1]" 1 139 1 29 SER HA 1 32 TYR QB 0.000 . 4.300 2.769 2.498 2.957 . 0 0 "[ . 1]" 1 140 1 29 SER HA 1 32 TYR H 0.000 . 3.500 3.540 3.494 3.580 0.080 2 0 "[ . 1]" 1 141 1 29 SER QB 1 30 SER H 0.000 . 4.500 2.334 2.020 3.095 . 0 0 "[ . 1]" 1 142 1 29 SER H 1 30 SER H 0.000 . 5.000 2.720 2.616 2.820 . 0 0 "[ . 1]" 1 143 1 30 SER HA 1 33 GLN QB 0.000 . 4.300 2.891 2.696 3.029 . 0 0 "[ . 1]" 1 144 1 30 SER HA 1 33 GLN H 0.000 . 3.500 3.572 3.493 3.622 0.122 7 0 "[ . 1]" 1 145 1 30 SER H 1 31 TRP H 0.000 . 5.000 2.717 2.521 2.807 . 0 0 "[ . 1]" 1 146 1 31 TRP HA 1 34 SER QB 0.000 . 4.300 2.800 2.273 3.496 . 0 0 "[ . 1]" 1 147 1 31 TRP HA 1 34 SER H 0.000 . 3.500 3.270 3.129 3.467 . 0 0 "[ . 1]" 1 148 1 31 TRP QB 1 32 TYR QB 0.000 . 7.000 3.735 3.637 3.812 . 0 0 "[ . 1]" 1 149 1 31 TRP HD1 1 35 PHE HA 0.000 . 5.000 4.239 4.082 4.423 . 0 0 "[ . 1]" 1 150 1 31 TRP HE3 1 87 VAL MG2 0.000 . 4.800 3.896 3.776 3.968 . 0 0 "[ . 1]" 1 151 1 31 TRP HH2 1 87 VAL MG1 0.000 . 6.500 4.551 4.029 4.748 . 0 0 "[ . 1]" 1 152 1 31 TRP HH2 1 90 LEU MD1 0.000 . 6.500 2.896 2.464 3.307 . 0 0 "[ . 1]" 1 153 1 31 TRP H 1 32 TYR H 0.000 . 5.000 2.850 2.776 2.912 . 0 0 "[ . 1]" 1 154 1 31 TRP HZ2 1 87 VAL MG1 0.000 . 6.500 5.356 5.259 5.422 . 0 0 "[ . 1]" 1 155 1 31 TRP HZ2 1 90 LEU MD1 0.000 . 6.500 3.670 3.223 3.997 . 0 0 "[ . 1]" 1 156 1 31 TRP HZ2 1 90 LEU MD2 0.000 . 4.800 3.893 3.638 4.275 . 0 0 "[ . 1]" 1 157 1 31 TRP HZ3 1 87 VAL MG2 0.000 . 6.500 4.249 3.873 4.477 . 0 0 "[ . 1]" 1 158 1 32 TYR HA 1 35 PHE QB 0.000 . 4.300 2.653 2.456 3.020 . 0 0 "[ . 1]" 1 159 1 32 TYR HA 1 35 PHE H 0.000 . 3.500 3.593 3.553 3.648 0.148 5 0 "[ . 1]" 1 160 1 32 TYR QB 1 33 GLN HA 0.000 . 6.000 4.255 4.120 4.404 . 0 0 "[ . 1]" 1 161 1 32 TYR QB 1 36 LEU MD2 0.000 . 8.500 6.015 5.751 6.214 . 0 0 "[ . 1]" 1 162 1 32 TYR QD 1 36 LEU MD1 0.000 . 8.500 3.366 3.023 5.313 . 0 0 "[ . 1]" 1 163 1 32 TYR QE 1 36 LEU MD2 0.000 . 8.500 3.317 2.499 3.905 . 0 0 "[ . 1]" 1 164 1 32 TYR QE 1 36 LEU MD1 0.000 . 6.800 2.649 2.146 4.463 . 0 0 "[ . 1]" 1 165 1 32 TYR H 1 33 GLN QB 0.000 . 6.000 4.754 4.637 4.983 . 0 0 "[ . 1]" 1 166 1 32 TYR H 1 33 GLN H 0.000 . 5.000 2.964 2.900 3.088 . 0 0 "[ . 1]" 1 167 1 33 GLN HA 1 34 SER H 0.000 . 5.000 3.530 3.502 3.557 . 0 0 "[ . 1]" 1 168 1 33 GLN HA 1 36 LEU QB 0.000 . 4.300 2.518 2.354 2.665 . 0 0 "[ . 1]" 1 169 1 33 GLN HA 1 36 LEU MD1 0.000 . 4.800 2.730 2.330 3.874 . 0 0 "[ . 1]" 1 170 1 33 GLN HA 1 36 LEU HG 0.000 . 5.000 4.198 3.851 4.469 . 0 0 "[ . 1]" 1 171 1 33 GLN HA 1 36 LEU H 0.000 . 3.500 3.531 3.307 3.617 0.117 1 0 "[ . 1]" 1 172 1 33 GLN QB 1 34 SER H 0.000 . 6.000 2.511 2.323 2.644 . 0 0 "[ . 1]" 1 173 1 33 GLN H 1 34 SER H 0.000 . 3.500 2.577 2.436 2.770 . 0 0 "[ . 1]" 1 174 1 34 SER HA 1 35 PHE QB 0.000 . 6.000 5.202 5.125 5.233 . 0 0 "[ . 1]" 1 175 1 34 SER HA 1 37 LYS QB 0.000 . 4.300 3.149 2.693 3.847 . 0 0 "[ . 1]" 1 176 1 34 SER HA 1 37 LYS H 0.000 . 3.500 3.520 3.302 3.627 0.127 1 0 "[ . 1]" 1 177 1 34 SER H 1 35 PHE H 0.000 . 3.500 2.612 2.517 2.669 . 0 0 "[ . 1]" 1 178 1 35 PHE HA 1 36 LEU H 0.000 . 5.000 3.502 3.457 3.529 . 0 0 "[ . 1]" 1 179 1 35 PHE HA 1 38 GLU QB 0.000 . 6.000 2.995 2.231 3.390 . 0 0 "[ . 1]" 1 180 1 35 PHE HA 1 38 GLU H 0.000 . 3.500 3.548 3.372 3.624 0.124 7 0 "[ . 1]" 1 181 1 35 PHE QB 1 36 LEU MD2 0.000 . 7.500 5.113 4.855 5.358 . 0 0 "[ . 1]" 1 182 1 35 PHE QB 1 36 LEU H 0.000 . 6.000 2.770 2.619 2.900 . 0 0 "[ . 1]" 1 183 1 35 PHE QD 1 36 LEU MD2 0.000 . 6.800 3.758 3.514 4.408 . 0 0 "[ . 1]" 1 184 1 35 PHE QD 1 38 GLU QB 0.000 . 8.000 3.976 3.381 4.595 . 0 0 "[ . 1]" 1 185 1 35 PHE QE 1 42 GLY QA 0.000 . 6.300 2.573 2.171 3.752 . 0 0 "[ . 1]" 1 186 1 35 PHE QE 1 43 ARG HA 0.000 . 7.000 5.373 3.802 6.085 . 0 0 "[ . 1]" 1 187 1 35 PHE QE 1 44 ILE MG 0.000 . 6.800 3.773 3.220 4.473 . 0 0 "[ . 1]" 1 188 1 35 PHE QE 1 52 ILE MD 0.000 . 8.500 4.875 4.532 5.219 . 0 0 "[ . 1]" 1 189 1 35 PHE QE 1 82 ASP HA 0.000 . 7.000 5.228 4.161 6.089 . 0 0 "[ . 1]" 1 190 1 35 PHE H 1 36 LEU H 0.000 . 2.900 2.533 2.163 2.726 . 0 0 "[ . 1]" 1 191 1 36 LEU HA 1 37 LYS H 0.000 . 5.000 3.552 3.531 3.568 . 0 0 "[ . 1]" 1 192 1 36 LEU HA 1 39 CYS QB 0.000 . 6.000 4.305 3.393 4.909 . 0 0 "[ . 1]" 1 193 1 36 LEU HA 1 39 CYS H 0.000 . 5.000 3.391 3.156 3.585 . 0 0 "[ . 1]" 1 194 1 36 LEU QB 1 37 LYS HA 0.000 . 4.300 3.753 3.675 3.937 . 0 0 "[ . 1]" 1 195 1 36 LEU MD2 1 37 LYS HA 0.000 . 6.500 4.820 4.200 5.183 . 0 0 "[ . 1]" 1 196 1 36 LEU MD2 1 39 CYS QB 0.000 . 7.500 4.665 4.202 5.154 . 0 0 "[ . 1]" 1 197 1 36 LEU MD2 1 40 PRO HA 0.000 . 6.500 2.302 1.946 3.471 . 0 0 "[ . 1]" 1 198 1 36 LEU MD2 1 40 PRO QB 0.000 . 7.500 3.601 3.004 4.886 . 0 0 "[ . 1]" 1 199 1 36 LEU MD2 1 42 GLY QA 0.000 . 5.800 3.649 2.572 4.136 . 0 0 "[ . 1]" 1 200 1 36 LEU MD2 1 42 GLY H 0.000 . 6.500 4.598 3.380 5.254 . 0 0 "[ . 1]" 1 201 1 36 LEU H 1 37 LYS H 0.000 . 2.900 2.685 2.501 2.781 . 0 0 "[ . 1]" 1 202 1 37 LYS HA 1 38 GLU H 0.000 . 3.500 3.537 3.499 3.569 0.069 2 0 "[ . 1]" 1 203 1 37 LYS HA 1 40 PRO QD 0.000 . 6.000 4.351 3.729 4.845 . 0 0 "[ . 1]" 1 204 1 37 LYS HA 1 40 PRO QG 0.000 . 6.000 4.792 3.844 5.196 . 0 0 "[ . 1]" 1 205 1 37 LYS QB 1 38 GLU HA 0.000 . 4.300 3.793 3.621 3.916 . 0 0 "[ . 1]" 1 206 1 37 LYS QB 1 38 GLU H 0.000 . 6.000 2.547 2.264 3.121 . 0 0 "[ . 1]" 1 207 1 37 LYS H 1 38 GLU H 0.000 . 3.500 2.822 2.628 2.963 . 0 0 "[ . 1]" 1 208 1 38 GLU H 1 39 CYS H 0.000 . 2.900 2.635 2.451 2.853 . 0 0 "[ . 1]" 1 209 1 39 CYS HA 1 40 PRO QD 0.000 . 4.300 1.954 1.928 1.994 . 0 0 "[ . 1]" 1 210 1 39 CYS H 1 40 PRO QD 0.000 . 6.000 3.439 2.862 3.706 . 0 0 "[ . 1]" 1 211 1 40 PRO QB 1 41 SER H 0.000 . 6.000 3.252 1.684 3.846 . 0 0 "[ . 1]" 1 212 1 41 SER HA 1 42 GLY H 0.000 . 5.000 3.383 2.711 3.555 . 0 0 "[ . 1]" 1 213 1 41 SER QB 1 43 ARG QB 0.000 . 7.000 3.919 2.905 4.909 . 0 0 "[ . 1]" 1 214 1 41 SER H 1 42 GLY H 0.000 . 5.000 3.318 2.559 4.612 . 0 0 "[ . 1]" 1 215 1 42 GLY H 1 43 ARG H 0.000 . 3.500 2.600 1.650 3.555 0.055 1 0 "[ . 1]" 1 216 1 43 ARG HA 1 44 ILE H 0.000 . 2.900 2.153 2.113 2.194 . 0 0 "[ . 1]" 1 217 1 43 ARG HA 1 80 THR HB 0.000 . 3.300 3.257 2.959 3.375 0.075 8 0 "[ . 1]" 1 218 1 43 ARG HA 1 82 ASP HA 0.000 . 5.000 2.752 2.365 3.343 . 0 0 "[ . 1]" 1 219 1 43 ARG QB 1 44 ILE H 0.000 . 4.500 3.512 2.997 3.748 . 0 0 "[ . 1]" 1 220 1 43 ARG QB 1 80 THR HA 0.000 . 6.000 4.883 4.697 5.099 . 0 0 "[ . 1]" 1 221 1 43 ARG QB 1 80 THR HB 0.000 . 3.700 2.481 2.172 2.895 . 0 0 "[ . 1]" 1 222 1 43 ARG QB 1 80 THR MG 0.000 . 5.200 2.536 2.281 2.827 . 0 0 "[ . 1]" 1 223 1 43 ARG QB 1 82 ASP HA 0.000 . 6.000 4.795 4.472 5.392 . 0 0 "[ . 1]" 1 224 1 43 ARG QD 1 80 THR HB 0.000 . 6.000 3.933 3.067 4.590 . 0 0 "[ . 1]" 1 225 1 43 ARG QD 1 80 THR MG 0.000 . 5.800 3.578 2.839 4.237 . 0 0 "[ . 1]" 1 226 1 43 ARG QD 1 82 ASP HA 0.000 . 6.000 5.272 4.829 5.455 . 0 0 "[ . 1]" 1 227 1 43 ARG QD 1 82 ASP QB 0.000 . 7.000 5.276 4.708 5.652 . 0 0 "[ . 1]" 1 228 1 43 ARG QG 1 80 THR HB 0.000 . 4.300 2.866 2.213 3.651 . 0 0 "[ . 1]" 1 229 1 43 ARG QG 1 80 THR MG 0.000 . 5.800 3.515 2.359 4.187 . 0 0 "[ . 1]" 1 230 1 43 ARG QG 1 82 ASP HA 0.000 . 6.000 3.557 3.172 4.260 . 0 0 "[ . 1]" 1 231 1 43 ARG QG 1 82 ASP QB 0.000 . 7.000 4.046 3.416 4.373 . 0 0 "[ . 1]" 1 232 1 44 ILE HA 1 45 THR H 0.000 . 3.500 2.155 2.132 2.227 . 0 0 "[ . 1]" 1 233 1 44 ILE HB 1 81 LEU H 0.000 . 5.000 3.411 2.679 4.030 . 0 0 "[ . 1]" 1 234 1 44 ILE MD 1 49 PHE HA 0.000 . 6.500 4.934 3.890 5.326 . 0 0 "[ . 1]" 1 235 1 44 ILE MD 1 49 PHE QD 0.000 . 8.500 3.489 3.144 4.585 . 0 0 "[ . 1]" 1 236 1 44 ILE MD 1 52 ILE MD 0.000 . 6.300 3.587 2.634 4.013 . 0 0 "[ . 1]" 1 237 1 44 ILE MD 1 81 LEU MD1 0.000 . 8.000 4.305 3.119 5.132 . 0 0 "[ . 1]" 1 238 1 44 ILE MD 1 81 LEU MD2 0.000 . 8.000 3.700 2.976 5.302 . 0 0 "[ . 1]" 1 239 1 44 ILE MD 1 86 TYR QB 0.000 . 5.800 3.048 2.104 4.233 . 0 0 "[ . 1]" 1 240 1 44 ILE MD 1 86 TYR QD 0.000 . 6.800 2.450 1.968 3.631 . 0 0 "[ . 1]" 1 241 1 44 ILE MD 1 86 TYR QE 0.000 . 6.800 2.817 2.079 3.913 . 0 0 "[ . 1]" 1 242 1 44 ILE MG 1 49 PHE HA 0.000 . 4.800 3.419 2.625 3.884 . 0 0 "[ . 1]" 1 243 1 44 ILE MG 1 49 PHE QB 0.000 . 5.800 2.874 2.144 3.551 . 0 0 "[ . 1]" 1 244 1 44 ILE MG 1 49 PHE QD 0.000 . 6.800 2.274 1.935 2.767 . 0 0 "[ . 1]" 1 245 1 44 ILE MG 1 70 PHE QE 0.000 . 6.800 3.500 2.897 4.062 . 0 0 "[ . 1]" 1 246 1 44 ILE MG 1 81 LEU QB 0.000 . 7.500 3.616 2.754 5.396 . 0 0 "[ . 1]" 1 247 1 44 ILE MG 1 81 LEU MD1 0.000 . 8.000 4.067 3.274 5.512 . 0 0 "[ . 1]" 1 248 1 44 ILE MG 1 81 LEU MD2 0.000 . 6.300 3.683 2.279 4.264 . 0 0 "[ . 1]" 1 249 1 44 ILE MG 1 86 TYR QB 0.000 . 7.500 5.047 4.529 5.380 . 0 0 "[ . 1]" 1 250 1 44 ILE MG 1 86 TYR QD 0.000 . 8.500 3.811 3.383 4.510 . 0 0 "[ . 1]" 1 251 1 44 ILE H 1 45 THR H 0.000 . 5.000 4.490 4.385 4.616 . 0 0 "[ . 1]" 1 252 1 44 ILE H 1 80 THR HB 0.000 . 5.000 3.351 2.374 4.007 . 0 0 "[ . 1]" 1 253 1 44 ILE H 1 81 LEU H 0.000 . 5.000 3.414 2.715 3.944 . 0 0 "[ . 1]" 1 254 1 45 THR HA 1 46 ARG H 0.000 . 3.500 2.339 2.309 2.358 . 0 0 "[ . 1]" 1 255 1 45 THR HA 1 80 THR HA 0.000 . 5.000 3.953 3.481 4.483 . 0 0 "[ . 1]" 1 256 1 45 THR HA 1 80 THR HB 0.000 . 5.000 4.327 3.890 4.935 . 0 0 "[ . 1]" 1 257 1 45 THR HA 1 80 THR MG 0.000 . 4.200 2.769 2.134 3.317 . 0 0 "[ . 1]" 1 258 1 45 THR HB 1 48 GLU H 0.000 . 2.900 2.661 2.405 2.857 . 0 0 "[ . 1]" 1 259 1 45 THR HB 1 80 THR MG 0.000 . 6.500 4.924 4.509 5.305 . 0 0 "[ . 1]" 1 260 1 45 THR MG 1 46 ARG H 0.000 . 6.500 2.333 1.842 3.309 . 0 0 "[ . 1]" 1 261 1 45 THR MG 1 80 THR HA 0.000 . 6.500 4.810 4.392 5.301 . 0 0 "[ . 1]" 1 262 1 45 THR MG 1 80 THR HB 0.000 . 6.500 5.001 4.733 5.237 . 0 0 "[ . 1]" 1 263 1 45 THR H 1 48 GLU QB 0.000 . 6.000 2.756 2.230 2.917 . 0 0 "[ . 1]" 1 264 1 45 THR H 1 48 GLU H 0.000 . 5.000 4.182 3.704 4.546 . 0 0 "[ . 1]" 1 265 1 46 ARG HA 1 49 PHE QB 0.000 . 6.000 2.826 2.463 3.201 . 0 0 "[ . 1]" 1 266 1 46 ARG HA 1 49 PHE H 0.000 . 3.500 3.560 3.504 3.641 0.141 3 0 "[ . 1]" 1 267 1 46 ARG HA 1 70 PHE QB 0.000 . 6.000 4.003 3.389 5.334 . 0 0 "[ . 1]" 1 268 1 46 ARG QB 1 47 GLN H 0.000 . 6.000 2.272 1.918 3.411 . 0 0 "[ . 1]" 1 269 1 46 ARG QB 1 67 GLN QG 0.000 . 7.000 3.726 2.148 4.785 . 0 0 "[ . 1]" 1 270 1 46 ARG QD 1 67 GLN QG 0.000 . 5.300 2.985 2.158 4.109 . 0 0 "[ . 1]" 1 271 1 46 ARG QG 1 67 GLN HA 0.000 . 6.000 3.828 2.591 5.236 . 0 0 "[ . 1]" 1 272 1 46 ARG QG 1 67 GLN QG 0.000 . 7.000 2.969 2.020 4.180 . 0 0 "[ . 1]" 1 273 1 47 GLN HA 1 50 GLN QB 0.000 . 4.300 2.526 2.294 2.967 . 0 0 "[ . 1]" 1 274 1 47 GLN HA 1 50 GLN H 0.000 . 3.500 3.573 3.503 3.634 0.134 7 0 "[ . 1]" 1 275 1 47 GLN QB 1 48 GLU H 0.000 . 6.000 2.599 2.263 3.346 . 0 0 "[ . 1]" 1 276 1 47 GLN H 1 48 GLU H 0.000 . 5.000 2.963 2.783 3.117 . 0 0 "[ . 1]" 1 277 1 48 GLU HA 1 49 PHE H 0.000 . 3.500 3.574 3.563 3.581 0.081 4 0 "[ . 1]" 1 278 1 48 GLU HA 1 51 THR HB 0.000 . 3.300 3.227 2.947 3.368 0.068 10 0 "[ . 1]" 1 279 1 48 GLU HA 1 51 THR H 0.000 . 3.500 3.124 3.013 3.210 . 0 0 "[ . 1]" 1 280 1 48 GLU QB 1 49 PHE H 0.000 . 6.000 2.358 2.275 2.451 . 0 0 "[ . 1]" 1 281 1 48 GLU QG 1 51 THR H 0.000 . 3.900 3.870 3.849 3.922 0.022 6 0 "[ . 1]" 1 282 1 48 GLU H 1 49 PHE H 0.000 . 5.000 2.833 2.756 2.949 . 0 0 "[ . 1]" 1 283 1 49 PHE HA 1 50 GLN H 0.000 . 5.000 3.568 3.509 3.603 . 0 0 "[ . 1]" 1 284 1 49 PHE HA 1 52 ILE HB 0.000 . 5.000 3.147 2.828 3.523 . 0 0 "[ . 1]" 1 285 1 49 PHE HA 1 52 ILE MD 0.000 . 6.500 2.616 2.199 3.012 . 0 0 "[ . 1]" 1 286 1 49 PHE HA 1 52 ILE MG 0.000 . 6.500 4.458 4.316 4.709 . 0 0 "[ . 1]" 1 287 1 49 PHE HA 1 52 ILE H 0.000 . 3.500 3.117 2.936 3.286 . 0 0 "[ . 1]" 1 288 1 49 PHE QB 1 50 GLN H 0.000 . 6.000 2.490 2.266 2.781 . 0 0 "[ . 1]" 1 289 1 49 PHE QB 1 70 PHE QB 0.000 . 7.000 3.807 3.148 5.045 . 0 0 "[ . 1]" 1 290 1 49 PHE QB 1 81 LEU MD2 0.000 . 7.500 4.481 2.485 5.465 . 0 0 "[ . 1]" 1 291 1 49 PHE QD 1 52 ILE MD 0.000 . 8.500 3.148 2.477 3.672 . 0 0 "[ . 1]" 1 292 1 49 PHE QD 1 52 ILE MG 0.000 . 8.500 4.129 3.379 4.781 . 0 0 "[ . 1]" 1 293 1 49 PHE QD 1 66 ALA HA 0.000 . 7.000 4.699 3.876 5.680 . 0 0 "[ . 1]" 1 294 1 49 PHE QD 1 66 ALA MB 0.000 . 6.800 3.345 2.889 4.251 . 0 0 "[ . 1]" 1 295 1 49 PHE QD 1 81 LEU MD2 0.000 . 8.500 3.526 2.289 4.215 . 0 0 "[ . 1]" 1 296 1 49 PHE H 1 50 GLN H 0.000 . 3.500 2.838 2.743 2.961 . 0 0 "[ . 1]" 1 297 1 49 PHE HZ 1 90 LEU MD1 0.000 . 6.500 5.260 4.813 5.497 . 0 0 "[ . 1]" 1 298 1 50 GLN HA 1 51 THR H 0.000 . 5.000 3.490 3.474 3.506 . 0 0 "[ . 1]" 1 299 1 50 GLN HA 1 53 TYR QB 0.000 . 4.300 3.060 2.788 3.328 . 0 0 "[ . 1]" 1 300 1 50 GLN HA 1 53 TYR H 0.000 . 3.500 3.502 3.352 3.562 0.062 3 0 "[ . 1]" 1 301 1 50 GLN HA 1 66 ALA MB 0.000 . 4.800 2.490 2.055 2.791 . 0 0 "[ . 1]" 1 302 1 50 GLN QB 1 51 THR H 0.000 . 6.000 3.016 2.824 3.230 . 0 0 "[ . 1]" 1 303 1 50 GLN QG 1 51 THR H 0.000 . 4.500 3.542 2.569 4.291 . 0 0 "[ . 1]" 1 304 1 50 GLN QG 1 63 LYS HA 0.000 . 6.000 3.741 2.747 5.203 . 0 0 "[ . 1]" 1 305 1 50 GLN H 1 51 THR H 0.000 . 3.500 2.652 2.524 2.767 . 0 0 "[ . 1]" 1 306 1 50 GLN H 1 66 ALA MB 0.000 . 6.500 4.343 3.845 4.797 . 0 0 "[ . 1]" 1 307 1 50 GLN H 1 67 GLN QG 0.000 . 4.500 4.239 4.195 4.298 . 0 0 "[ . 1]" 1 308 1 51 THR HA 1 52 ILE H 0.000 . 3.500 3.509 3.490 3.542 0.042 5 0 "[ . 1]" 1 309 1 51 THR HA 1 54 SER QB 0.000 . 4.300 2.394 2.136 3.239 . 0 0 "[ . 1]" 1 310 1 51 THR HA 1 54 SER H 0.000 . 3.500 3.370 3.267 3.478 . 0 0 "[ . 1]" 1 311 1 51 THR HB 1 52 ILE MD 0.000 . 6.500 4.978 4.617 5.216 . 0 0 "[ . 1]" 1 312 1 51 THR HB 1 52 ILE H 0.000 . 3.500 2.707 2.499 2.845 . 0 0 "[ . 1]" 1 313 1 51 THR MG 1 52 ILE H 0.000 . 6.500 3.973 3.824 4.099 . 0 0 "[ . 1]" 1 314 1 51 THR H 1 52 ILE H 0.000 . 3.500 2.498 2.421 2.571 . 0 0 "[ . 1]" 1 315 1 52 ILE HA 1 55 LYS QB 0.000 . 4.300 2.991 2.637 3.289 . 0 0 "[ . 1]" 1 316 1 52 ILE HA 1 55 LYS QD 0.000 . 6.000 4.518 3.372 5.285 . 0 0 "[ . 1]" 1 317 1 52 ILE HA 1 55 LYS H 0.000 . 3.500 3.610 3.553 3.685 0.185 10 0 "[ . 1]" 1 318 1 52 ILE HA 1 56 PHE QD 0.000 . 7.000 3.557 2.913 4.324 . 0 0 "[ . 1]" 1 319 1 52 ILE HB 1 53 TYR H 0.000 . 3.500 2.272 2.174 2.438 . 0 0 "[ . 1]" 1 320 1 52 ILE MD 1 86 TYR QB 0.000 . 7.500 5.804 5.680 5.963 . 0 0 "[ . 1]" 1 321 1 52 ILE MD 1 86 TYR QE 0.000 . 8.500 2.753 2.382 2.929 . 0 0 "[ . 1]" 1 322 1 52 ILE MD 1 90 LEU MD1 0.000 . 8.000 5.347 5.136 5.481 . 0 0 "[ . 1]" 1 323 1 52 ILE MD 1 90 LEU MD2 0.000 . 8.000 4.739 4.468 4.920 . 0 0 "[ . 1]" 1 324 1 52 ILE MG 1 53 TYR HA 0.000 . 6.500 3.161 2.862 3.691 . 0 0 "[ . 1]" 1 325 1 52 ILE MG 1 53 TYR QB 0.000 . 7.500 4.062 3.820 4.650 . 0 0 "[ . 1]" 1 326 1 52 ILE MG 1 53 TYR QD 0.000 . 6.800 2.576 2.144 3.277 . 0 0 "[ . 1]" 1 327 1 52 ILE MG 1 53 TYR H 0.000 . 5.000 2.961 2.671 3.449 . 0 0 "[ . 1]" 1 328 1 52 ILE MG 1 56 PHE QD 0.000 . 8.500 3.286 2.202 3.822 . 0 0 "[ . 1]" 1 329 1 52 ILE MG 1 56 PHE QE 0.000 . 6.800 4.052 3.164 4.787 . 0 0 "[ . 1]" 1 330 1 52 ILE MG 1 86 TYR QE 0.000 . 6.800 4.480 4.234 4.660 . 0 0 "[ . 1]" 1 331 1 52 ILE MG 1 90 LEU MD2 0.000 . 8.000 5.167 4.826 5.373 . 0 0 "[ . 1]" 1 332 1 52 ILE H 1 53 TYR H 0.000 . 3.500 2.785 2.695 2.853 . 0 0 "[ . 1]" 1 333 1 53 TYR HA 1 56 PHE QB 0.000 . 6.000 3.379 3.125 3.584 . 0 0 "[ . 1]" 1 334 1 53 TYR HA 1 56 PHE H 0.000 . 3.500 3.511 3.367 3.620 0.120 8 0 "[ . 1]" 1 335 1 53 TYR HA 1 57 PHE QD 0.000 . 7.000 2.172 2.116 2.307 . 0 0 "[ . 1]" 1 336 1 53 TYR HA 1 57 PHE QE 0.000 . 7.000 2.312 2.137 2.816 . 0 0 "[ . 1]" 1 337 1 53 TYR QB 1 54 SER H 0.000 . 4.500 3.096 2.453 3.288 . 0 0 "[ . 1]" 1 338 1 53 TYR QB 1 62 PRO QB 0.000 . 7.000 2.851 2.270 3.546 . 0 0 "[ . 1]" 1 339 1 53 TYR QB 1 66 ALA MB 0.000 . 5.800 2.081 1.848 2.622 . 0 0 "[ . 1]" 1 340 1 53 TYR QD 1 57 PHE QB 0.000 . 8.000 4.210 3.732 4.812 . 0 0 "[ . 1]" 1 341 1 53 TYR QD 1 62 PRO HA 0.000 . 8.000 5.471 4.529 6.213 . 0 0 "[ . 1]" 1 342 1 53 TYR QD 1 66 ALA MB 0.000 . 8.500 2.938 2.485 3.454 . 0 0 "[ . 1]" 1 343 1 53 TYR QE 1 66 ALA MB 0.000 . 8.500 4.146 3.473 4.743 . 0 0 "[ . 1]" 1 344 1 53 TYR QE 1 69 VAL MG1 0.000 . 6.800 4.084 3.790 4.453 . 0 0 "[ . 1]" 1 345 1 53 TYR QE 1 90 LEU MD1 0.000 . 6.800 5.186 4.912 5.417 . 0 0 "[ . 1]" 1 346 1 53 TYR QE 1 93 THR MG 0.000 . 8.500 5.545 4.578 6.397 . 0 0 "[ . 1]" 1 347 1 53 TYR QE 1 132 MET ME 0.000 . 6.800 3.495 3.197 4.143 . 0 0 "[ . 1]" 1 348 1 53 TYR H 1 54 SER H 0.000 . 3.500 2.584 2.504 2.699 . 0 0 "[ . 1]" 1 349 1 54 SER HA 1 55 LYS H 0.000 . 5.000 3.391 3.358 3.453 . 0 0 "[ . 1]" 1 350 1 54 SER H 1 55 LYS H 0.000 . 3.500 2.278 2.162 2.691 . 0 0 "[ . 1]" 1 351 1 55 LYS HA 1 56 PHE H 0.000 . 5.000 3.509 3.459 3.557 . 0 0 "[ . 1]" 1 352 1 55 LYS H 1 56 PHE H 0.000 . 3.500 2.219 2.109 2.340 . 0 0 "[ . 1]" 1 353 1 56 PHE HA 1 57 PHE H 0.000 . 3.500 3.466 3.356 3.582 0.082 4 0 "[ . 1]" 1 354 1 56 PHE QB 1 57 PHE H 0.000 . 6.000 2.446 1.737 3.284 . 0 0 "[ . 1]" 1 355 1 56 PHE QD 1 57 PHE H 0.000 . 7.000 4.270 3.878 4.635 . 0 0 "[ . 1]" 1 356 1 57 PHE HA 1 58 PRO QD 0.000 . 4.300 2.119 1.988 2.346 . 0 0 "[ . 1]" 1 357 1 57 PHE HA 1 60 ALA MB 0.000 . 6.500 5.375 5.302 5.501 . 0 0 "[ . 1]" 1 358 1 57 PHE HA 1 132 MET ME 0.000 . 6.500 5.093 4.798 5.439 . 0 0 "[ . 1]" 1 359 1 57 PHE QB 1 60 ALA MB 0.000 . 5.800 3.622 3.070 3.884 . 0 0 "[ . 1]" 1 360 1 57 PHE QB 1 132 MET ME 0.000 . 5.800 3.373 2.761 3.902 . 0 0 "[ . 1]" 1 361 1 57 PHE QD 1 60 ALA MB 0.000 . 8.500 4.845 4.219 5.480 . 0 0 "[ . 1]" 1 362 1 57 PHE QD 1 132 MET ME 0.000 . 6.800 2.596 2.133 3.510 . 0 0 "[ . 1]" 1 363 1 57 PHE QE 1 90 LEU MD2 0.000 . 8.500 7.151 6.645 7.373 . 0 0 "[ . 1]" 1 364 1 57 PHE QE 1 132 MET ME 0.000 . 6.200 2.963 2.003 4.147 . 0 0 "[ . 1]" 1 365 1 57 PHE H 1 58 PRO QD 0.000 . 6.000 3.119 2.251 4.259 . 0 0 "[ . 1]" 1 366 1 58 PRO HA 1 59 GLU H 0.000 . 5.000 3.453 2.884 3.552 . 0 0 "[ . 1]" 1 367 1 58 PRO QD 1 59 GLU H 0.000 . 3.900 2.836 2.135 3.774 . 0 0 "[ . 1]" 1 368 1 59 GLU HA 1 60 ALA H 0.000 . 3.500 3.401 2.949 3.557 0.057 7 0 "[ . 1]" 1 369 1 59 GLU QB 1 60 ALA H 0.000 . 6.000 2.736 1.920 3.967 . 0 0 "[ . 1]" 1 370 1 59 GLU QG 1 60 ALA MB 0.000 . 7.500 4.770 3.771 5.480 . 0 0 "[ . 1]" 1 371 1 59 GLU H 1 60 ALA H 0.000 . 3.500 2.717 1.645 3.408 . 0 0 "[ . 1]" 1 372 1 60 ALA HA 1 61 ASP HA 0.000 . 6.000 4.567 4.536 4.619 . 0 0 "[ . 1]" 1 373 1 60 ALA HA 1 132 MET HA 0.000 . 5.000 4.688 4.256 4.866 . 0 0 "[ . 1]" 1 374 1 60 ALA MB 1 61 ASP H 0.000 . 4.400 1.696 1.569 1.868 . 0 0 "[ . 1]" 1 375 1 60 ALA MB 1 62 PRO QD 0.000 . 7.500 2.178 1.987 2.445 . 0 0 "[ . 1]" 1 376 1 60 ALA MB 1 131 LYS HA 0.000 . 6.500 4.783 4.586 5.231 . 0 0 "[ . 1]" 1 377 1 60 ALA MB 1 132 MET HA 0.000 . 4.800 2.137 2.022 2.223 . 0 0 "[ . 1]" 1 378 1 60 ALA MB 1 132 MET ME 0.000 . 6.300 4.020 3.683 4.183 . 0 0 "[ . 1]" 1 379 1 60 ALA MB 1 132 MET H 0.000 . 6.500 4.262 4.140 4.474 . 0 0 "[ . 1]" 1 380 1 60 ALA MB 1 133 ILE H 0.000 . 6.500 3.868 3.536 4.326 . 0 0 "[ . 1]" 1 381 1 60 ALA MB 1 134 SER QB 0.000 . 7.500 3.626 2.988 4.442 . 0 0 "[ . 1]" 1 382 1 60 ALA H 1 132 MET HA 0.000 . 5.000 5.163 5.092 5.300 0.300 4 0 "[ . 1]" 1 383 1 61 ASP HA 1 62 PRO HA 0.000 . 5.000 4.667 4.635 4.712 . 0 0 "[ . 1]" 1 384 1 61 ASP HA 1 62 PRO QD 0.000 . 4.300 2.146 2.069 2.332 . 0 0 "[ . 1]" 1 385 1 61 ASP HA 1 62 PRO QG 0.000 . 6.000 4.107 4.034 4.269 . 0 0 "[ . 1]" 1 386 1 61 ASP HA 1 63 LYS H 0.000 . 5.000 3.032 2.854 3.352 . 0 0 "[ . 1]" 1 387 1 61 ASP QB 1 62 PRO QD 0.000 . 7.000 3.699 3.680 3.725 . 0 0 "[ . 1]" 1 388 1 61 ASP QB 1 64 ALA H 0.000 . 6.000 4.575 3.925 5.151 . 0 0 "[ . 1]" 1 389 1 61 ASP QB 1 131 LYS QB 0.000 . 7.000 3.236 2.095 4.394 . 0 0 "[ . 1]" 1 390 1 61 ASP QB 1 131 LYS QG 0.000 . 7.000 3.563 2.158 5.015 . 0 0 "[ . 1]" 1 391 1 61 ASP H 1 131 LYS HA 0.000 . 5.000 4.903 4.524 5.024 0.024 6 0 "[ . 1]" 1 392 1 61 ASP H 1 132 MET HA 0.000 . 2.900 2.493 1.942 2.936 0.036 9 0 "[ . 1]" 1 393 1 62 PRO HA 1 63 LYS H 0.000 . 5.000 3.132 2.964 3.314 . 0 0 "[ . 1]" 1 394 1 62 PRO HA 1 132 MET HA 0.000 . 5.000 3.180 2.969 3.511 . 0 0 "[ . 1]" 1 395 1 62 PRO HA 1 132 MET ME 0.000 . 6.500 3.997 3.648 4.190 . 0 0 "[ . 1]" 1 396 1 62 PRO HA 1 132 MET QG 0.000 . 6.000 3.494 2.022 4.456 . 0 0 "[ . 1]" 1 397 1 62 PRO QB 1 64 ALA MB 0.000 . 7.500 5.390 5.185 5.532 . 0 0 "[ . 1]" 1 398 1 62 PRO QB 1 66 ALA MB 0.000 . 7.500 3.140 2.869 3.814 . 0 0 "[ . 1]" 1 399 1 62 PRO QB 1 132 MET ME 0.000 . 5.800 2.103 2.026 2.191 . 0 0 "[ . 1]" 1 400 1 62 PRO QG 1 63 LYS HA 0.000 . 6.000 5.015 4.531 5.246 . 0 0 "[ . 1]" 1 401 1 63 LYS HA 1 64 ALA H 0.000 . 5.000 3.553 3.498 3.575 . 0 0 "[ . 1]" 1 402 1 63 LYS HA 1 66 ALA MB 0.000 . 4.800 2.722 2.504 2.924 . 0 0 "[ . 1]" 1 403 1 63 LYS HA 1 66 ALA H 0.000 . 3.500 3.568 3.449 3.673 0.173 4 0 "[ . 1]" 1 404 1 63 LYS HA 1 67 GLN QG 0.000 . 6.000 4.461 3.757 5.156 . 0 0 "[ . 1]" 1 405 1 63 LYS QB 1 64 ALA HA 0.000 . 6.000 3.947 3.606 4.471 . 0 0 "[ . 1]" 1 406 1 63 LYS QB 1 64 ALA H 0.000 . 4.500 2.380 1.895 3.410 . 0 0 "[ . 1]" 1 407 1 63 LYS H 1 64 ALA H 0.000 . 3.500 3.013 2.624 3.235 . 0 0 "[ . 1]" 1 408 1 63 LYS H 1 132 MET HA 0.000 . 5.000 5.155 5.053 5.387 0.387 5 0 "[ . 1]" 1 409 1 64 ALA HA 1 67 GLN QB 0.000 . 4.300 2.894 2.657 3.329 . 0 0 "[ . 1]" 1 410 1 64 ALA HA 1 67 GLN QG 0.000 . 6.000 4.431 3.649 4.721 . 0 0 "[ . 1]" 1 411 1 64 ALA HA 1 67 GLN H 0.000 . 3.500 3.539 3.463 3.608 0.108 4 0 "[ . 1]" 1 412 1 64 ALA MB 1 65 TYR H 0.000 . 5.000 2.407 2.264 2.545 . 0 0 "[ . 1]" 1 413 1 64 ALA MB 1 67 GLN QB 0.000 . 7.500 4.288 3.956 4.631 . 0 0 "[ . 1]" 1 414 1 64 ALA MB 1 68 HIS HD2 0.000 . 6.500 2.776 2.435 3.557 . 0 0 "[ . 1]" 1 415 1 64 ALA MB 1 127 THR MG 0.000 . 8.000 4.399 3.701 4.991 . 0 0 "[ . 1]" 1 416 1 64 ALA MB 1 128 ALA MB 0.000 . 5.700 2.047 1.833 2.243 . 0 0 "[ . 1]" 1 417 1 64 ALA MB 1 131 LYS QE 0.000 . 7.500 4.036 2.444 5.074 . 0 0 "[ . 1]" 1 418 1 64 ALA H 1 65 TYR H 0.000 . 5.000 2.718 2.486 2.997 . 0 0 "[ . 1]" 1 419 1 64 ALA H 1 128 ALA MB 0.000 . 6.500 4.426 4.105 4.625 . 0 0 "[ . 1]" 1 420 1 65 TYR HA 1 66 ALA H 0.000 . 5.000 3.529 3.455 3.591 . 0 0 "[ . 1]" 1 421 1 65 TYR HA 1 68 HIS QB 0.000 . 4.300 2.207 2.116 2.705 . 0 0 "[ . 1]" 1 422 1 65 TYR HA 1 68 HIS H 0.000 . 3.500 3.331 3.144 3.542 0.042 2 0 "[ . 1]" 1 423 1 65 TYR HA 1 128 ALA MB 0.000 . 4.800 2.758 2.457 3.202 . 0 0 "[ . 1]" 1 424 1 65 TYR QB 1 66 ALA H 0.000 . 6.000 2.538 1.999 2.910 . 0 0 "[ . 1]" 1 425 1 65 TYR QB 1 68 HIS H 0.000 . 6.000 4.809 4.694 4.978 . 0 0 "[ . 1]" 1 426 1 65 TYR QB 1 128 ALA MB 0.000 . 5.800 2.888 2.548 3.285 . 0 0 "[ . 1]" 1 427 1 65 TYR QB 1 132 MET ME 0.000 . 5.800 3.618 3.068 3.887 . 0 0 "[ . 1]" 1 428 1 65 TYR QD 1 66 ALA HA 0.000 . 7.000 3.430 2.885 4.070 . 0 0 "[ . 1]" 1 429 1 65 TYR QD 1 66 ALA MB 0.000 . 8.500 3.862 3.467 4.140 . 0 0 "[ . 1]" 1 430 1 65 TYR QD 1 66 ALA H 0.000 . 7.000 3.552 3.134 3.976 . 0 0 "[ . 1]" 1 431 1 65 TYR QD 1 69 VAL MG2 0.000 . 6.800 4.422 2.767 5.033 . 0 0 "[ . 1]" 1 432 1 65 TYR QD 1 125 ILE MG 0.000 . 8.500 3.691 3.077 4.425 . 0 0 "[ . 1]" 1 433 1 65 TYR QD 1 128 ALA MB 0.000 . 6.200 3.425 2.715 4.073 . 0 0 "[ . 1]" 1 434 1 65 TYR QD 1 129 ILE MD 0.000 . 8.500 4.162 3.608 5.105 . 0 0 "[ . 1]" 1 435 1 65 TYR QE 1 69 VAL MG1 0.000 . 6.800 4.303 2.360 4.976 . 0 0 "[ . 1]" 1 436 1 65 TYR QE 1 108 LEU MD2 0.000 . 8.500 3.506 3.106 4.031 . 0 0 "[ . 1]" 1 437 1 65 TYR QE 1 128 ALA MB 0.000 . 8.500 5.215 4.467 5.849 . 0 0 "[ . 1]" 1 438 1 65 TYR QE 1 129 ILE HA 0.000 . 7.000 5.460 4.788 6.131 . 0 0 "[ . 1]" 1 439 1 65 TYR QE 1 129 ILE MD 0.000 . 8.500 4.044 3.254 5.406 . 0 0 "[ . 1]" 1 440 1 65 TYR QE 1 129 ILE MG 0.000 . 8.500 5.419 4.901 6.069 . 0 0 "[ . 1]" 1 441 1 65 TYR H 1 66 ALA H 0.000 . 5.000 2.686 2.564 2.974 . 0 0 "[ . 1]" 1 442 1 65 TYR H 1 128 ALA MB 0.000 . 6.500 2.961 2.570 3.534 . 0 0 "[ . 1]" 1 443 1 65 TYR H 1 131 LYS QG 0.000 . 6.000 5.127 4.627 5.380 . 0 0 "[ . 1]" 1 444 1 66 ALA HA 1 69 VAL HB 0.000 . 3.300 3.331 2.628 4.035 0.735 4 1 "[ +. 1]" 1 445 1 66 ALA HA 1 69 VAL MG1 0.000 . 6.500 3.053 1.914 4.208 . 0 0 "[ . 1]" 1 446 1 66 ALA HA 1 69 VAL MG2 0.000 . 6.500 3.994 2.108 4.669 . 0 0 "[ . 1]" 1 447 1 66 ALA HA 1 69 VAL H 0.000 . 3.500 3.507 3.173 3.576 0.076 10 0 "[ . 1]" 1 448 1 66 ALA MB 1 67 GLN H 0.000 . 5.000 2.459 2.097 2.794 . 0 0 "[ . 1]" 1 449 1 66 ALA MB 1 132 MET ME 0.000 . 8.000 5.070 4.703 5.278 . 0 0 "[ . 1]" 1 450 1 66 ALA H 1 67 GLN H 0.000 . 3.500 2.689 2.548 2.905 . 0 0 "[ . 1]" 1 451 1 67 GLN HA 1 68 HIS H 0.000 . 3.500 3.435 3.363 3.515 0.015 8 0 "[ . 1]" 1 452 1 67 GLN HA 1 70 PHE QB 0.000 . 4.300 2.469 2.171 2.775 . 0 0 "[ . 1]" 1 453 1 67 GLN HA 1 70 PHE H 0.000 . 3.500 3.346 3.147 3.561 0.061 4 0 "[ . 1]" 1 454 1 67 GLN QB 1 68 HIS H 0.000 . 4.500 2.935 2.680 3.138 . 0 0 "[ . 1]" 1 455 1 67 GLN H 1 68 HIS HD2 0.000 . 5.000 5.117 4.992 5.214 0.214 2 0 "[ . 1]" 1 456 1 67 GLN H 1 68 HIS H 0.000 . 3.500 2.405 2.322 2.524 . 0 0 "[ . 1]" 1 457 1 68 HIS HA 1 69 VAL H 0.000 . 5.000 3.557 3.516 3.589 . 0 0 "[ . 1]" 1 458 1 68 HIS HA 1 71 ARG QB 0.000 . 4.300 3.129 2.849 3.468 . 0 0 "[ . 1]" 1 459 1 68 HIS HA 1 71 ARG H 0.000 . 3.500 3.442 3.230 3.544 0.044 6 0 "[ . 1]" 1 460 1 68 HIS HA 1 108 LEU MD2 0.000 . 6.500 4.222 3.903 4.640 . 0 0 "[ . 1]" 1 461 1 68 HIS QB 1 108 LEU MD2 0.000 . 5.800 2.400 2.017 2.791 . 0 0 "[ . 1]" 1 462 1 68 HIS QB 1 125 ILE HA 0.000 . 6.000 4.452 4.169 4.695 . 0 0 "[ . 1]" 1 463 1 68 HIS QB 1 125 ILE MD 0.000 . 7.500 3.314 2.422 4.763 . 0 0 "[ . 1]" 1 464 1 68 HIS QB 1 128 ALA MB 0.000 . 5.800 3.759 3.480 4.062 . 0 0 "[ . 1]" 1 465 1 68 HIS HD2 1 108 LEU MD2 0.000 . 6.500 5.026 4.393 5.368 . 0 0 "[ . 1]" 1 466 1 68 HIS HD2 1 125 ILE HA 0.000 . 5.000 3.797 3.370 4.248 . 0 0 "[ . 1]" 1 467 1 68 HIS HD2 1 125 ILE MD 0.000 . 6.500 4.208 3.518 5.446 . 0 0 "[ . 1]" 1 468 1 68 HIS HD2 1 128 ALA MB 0.000 . 4.200 2.040 1.910 2.218 . 0 0 "[ . 1]" 1 469 1 68 HIS HD2 1 129 ILE H 0.000 . 5.000 5.135 5.035 5.232 0.232 2 0 "[ . 1]" 1 470 1 68 HIS HE1 1 111 VAL MG1 0.000 . 4.800 2.633 2.145 3.605 . 0 0 "[ . 1]" 1 471 1 68 HIS HE1 1 111 VAL MG2 0.000 . 4.200 3.206 2.920 3.340 . 0 0 "[ . 1]" 1 472 1 68 HIS HE1 1 124 GLU QG 0.000 . 4.300 3.090 2.175 4.001 . 0 0 "[ . 1]" 1 473 1 68 HIS HE1 1 125 ILE MD 0.000 . 6.500 3.564 2.766 4.639 . 0 0 "[ . 1]" 1 474 1 68 HIS H 1 69 VAL H 0.000 . 3.500 2.550 2.462 2.623 . 0 0 "[ . 1]" 1 475 1 69 VAL HA 1 72 SER QB 0.000 . 4.300 2.369 2.099 2.853 . 0 0 "[ . 1]" 1 476 1 69 VAL HA 1 72 SER H 0.000 . 3.500 3.284 3.130 3.585 0.085 7 0 "[ . 1]" 1 477 1 69 VAL HA 1 108 LEU HA 0.000 . 5.000 4.327 4.003 4.628 . 0 0 "[ . 1]" 1 478 1 69 VAL HA 1 108 LEU MD2 0.000 . 4.800 2.890 2.193 3.854 . 0 0 "[ . 1]" 1 479 1 69 VAL MG1 1 70 PHE H 0.000 . 6.500 2.248 1.649 3.450 . 0 0 "[ . 1]" 1 480 1 69 VAL MG1 1 72 SER H 0.000 . 6.500 4.410 4.021 5.218 . 0 0 "[ . 1]" 1 481 1 69 VAL MG1 1 81 LEU MD1 0.000 . 8.000 4.315 3.442 6.025 . 0 0 "[ . 1]" 1 482 1 69 VAL MG2 1 70 PHE H 0.000 . 6.500 3.755 1.987 4.098 . 0 0 "[ . 1]" 1 483 1 69 VAL MG2 1 89 ALA MB 0.000 . 8.000 3.958 3.227 5.158 . 0 0 "[ . 1]" 1 484 1 70 PHE HA 1 71 ARG H 0.000 . 5.000 3.564 3.541 3.582 . 0 0 "[ . 1]" 1 485 1 70 PHE HA 1 73 PHE QB 0.000 . 6.000 5.430 5.134 5.618 . 0 0 "[ . 1]" 1 486 1 70 PHE HA 1 73 PHE H 0.000 . 3.500 3.651 3.613 3.718 0.218 1 0 "[ . 1]" 1 487 1 70 PHE HA 1 74 ASP H 0.000 . 5.000 3.893 3.146 4.846 . 0 0 "[ . 1]" 1 488 1 70 PHE HA 1 81 LEU MD1 0.000 . 6.500 2.983 2.128 3.872 . 0 0 "[ . 1]" 1 489 1 70 PHE HA 1 81 LEU MD2 0.000 . 6.500 4.244 3.357 4.885 . 0 0 "[ . 1]" 1 490 1 70 PHE QD 1 71 ARG HA 0.000 . 7.000 3.193 2.345 4.165 . 0 0 "[ . 1]" 1 491 1 70 PHE QD 1 71 ARG H 0.000 . 4.900 3.283 2.448 3.954 . 0 0 "[ . 1]" 1 492 1 70 PHE QD 1 81 LEU MD2 0.000 . 8.500 3.721 2.437 4.766 . 0 0 "[ . 1]" 1 493 1 70 PHE QE 1 71 ARG HA 0.000 . 7.000 4.837 3.612 6.094 . 0 0 "[ . 1]" 1 494 1 70 PHE QE 1 80 THR H 0.000 . 7.000 5.607 3.986 6.500 . 0 0 "[ . 1]" 1 495 1 70 PHE QE 1 81 LEU MD2 0.000 . 8.500 3.256 1.918 5.083 . 0 0 "[ . 1]" 1 496 1 70 PHE QE 1 81 LEU H 0.000 . 7.000 3.607 3.052 4.104 . 0 0 "[ . 1]" 1 497 1 70 PHE H 1 71 ARG H 0.000 . 5.000 2.893 2.775 3.013 . 0 0 "[ . 1]" 1 498 1 70 PHE HZ 1 80 THR HA 0.000 . 3.300 2.821 2.174 3.370 0.070 4 0 "[ . 1]" 1 499 1 70 PHE HZ 1 80 THR HB 0.000 . 5.000 4.926 4.651 5.060 0.060 7 0 "[ . 1]" 1 500 1 71 ARG HA 1 74 ASP QB 0.000 . 6.000 3.278 2.388 4.872 . 0 0 "[ . 1]" 1 501 1 71 ARG QB 1 75 ALA MB 0.000 . 5.800 4.072 3.827 4.304 . 0 0 "[ . 1]" 1 502 1 71 ARG QD 1 75 ALA MB 0.000 . 5.800 3.618 2.286 4.249 . 0 0 "[ . 1]" 1 503 1 71 ARG H 1 72 SER H 0.000 . 5.000 2.631 2.509 2.784 . 0 0 "[ . 1]" 1 504 1 72 SER HA 1 108 LEU HA 0.000 . 5.000 2.944 2.382 3.880 . 0 0 "[ . 1]" 1 505 1 72 SER QB 1 108 LEU MD2 0.000 . 7.500 2.775 2.101 3.511 . 0 0 "[ . 1]" 1 506 1 72 SER H 1 73 PHE H 0.000 . 5.000 2.643 2.397 2.863 . 0 0 "[ . 1]" 1 507 1 72 SER H 1 108 LEU QB 0.000 . 6.000 5.286 5.154 5.471 . 0 0 "[ . 1]" 1 508 1 73 PHE HA 1 74 ASP H 0.000 . 5.000 3.217 2.761 3.541 . 0 0 "[ . 1]" 1 509 1 73 PHE QB 1 81 LEU MD1 0.000 . 7.500 4.589 3.913 5.349 . 0 0 "[ . 1]" 1 510 1 73 PHE QD 1 81 LEU MD1 0.000 . 8.500 3.047 2.154 4.003 . 0 0 "[ . 1]" 1 511 1 73 PHE QD 1 81 LEU MD2 0.000 . 8.500 3.725 2.130 6.218 . 0 0 "[ . 1]" 1 512 1 73 PHE QD 1 88 ILE MG 0.000 . 8.500 4.446 3.617 5.056 . 0 0 "[ . 1]" 1 513 1 73 PHE QD 1 89 ALA MB 0.000 . 8.500 3.264 2.633 3.871 . 0 0 "[ . 1]" 1 514 1 73 PHE QE 1 76 ASN QB 0.000 . 8.000 6.453 5.779 6.739 . 0 0 "[ . 1]" 1 515 1 73 PHE QE 1 89 ALA MB 0.000 . 8.500 2.641 2.065 3.087 . 0 0 "[ . 1]" 1 516 1 73 PHE H 1 74 ASP H 0.000 . 5.000 2.229 1.913 2.621 . 0 0 "[ . 1]" 1 517 1 74 ASP HA 1 75 ALA MB 0.000 . 6.500 4.859 4.627 4.955 . 0 0 "[ . 1]" 1 518 1 74 ASP HA 1 75 ALA H 0.000 . 2.900 3.297 2.928 3.445 0.545 4 3 "[* +. -]" 1 519 1 74 ASP HA 1 81 LEU MD1 0.000 . 4.800 3.407 2.472 3.826 . 0 0 "[ . 1]" 1 520 1 74 ASP QB 1 75 ALA H 0.000 . 6.000 2.794 2.110 3.767 . 0 0 "[ . 1]" 1 521 1 74 ASP QB 1 81 LEU MD1 0.000 . 7.500 2.185 1.880 3.027 . 0 0 "[ . 1]" 1 522 1 74 ASP H 1 75 ALA H 0.000 . 5.000 2.186 1.606 2.914 . 0 0 "[ . 1]" 1 523 1 74 ASP H 1 81 LEU MD1 0.000 . 6.500 4.029 3.644 4.622 . 0 0 "[ . 1]" 1 524 1 75 ALA HA 1 76 ASN H 0.000 . 3.500 3.073 2.981 3.185 . 0 0 "[ . 1]" 1 525 1 75 ALA HA 1 78 ASP QB 0.000 . 6.000 4.843 4.211 5.462 . 0 0 "[ . 1]" 1 526 1 75 ALA MB 1 76 ASN HA 0.000 . 6.500 4.055 3.950 4.152 . 0 0 "[ . 1]" 1 527 1 75 ALA MB 1 76 ASN QB 0.000 . 7.500 4.557 4.462 4.670 . 0 0 "[ . 1]" 1 528 1 75 ALA MB 1 76 ASN H 0.000 . 4.400 3.402 3.336 3.480 . 0 0 "[ . 1]" 1 529 1 75 ALA H 1 76 ASN H 0.000 . 3.500 2.652 2.405 2.823 . 0 0 "[ . 1]" 1 530 1 75 ALA H 1 81 LEU MD1 0.000 . 6.500 5.259 4.867 5.449 . 0 0 "[ . 1]" 1 531 1 76 ASN HA 1 77 SER H 0.000 . 5.000 2.771 2.466 2.987 . 0 0 "[ . 1]" 1 532 1 76 ASN H 1 77 SER H 0.000 . 5.000 3.427 3.038 4.619 . 0 0 "[ . 1]" 1 533 1 77 SER HA 1 78 ASP H 0.000 . 5.000 2.564 2.384 3.010 . 0 0 "[ . 1]" 1 534 1 77 SER HA 1 79 GLY H 0.000 . 5.000 4.795 4.000 5.111 0.111 7 0 "[ . 1]" 1 535 1 77 SER QB 1 78 ASP H 0.000 . 4.500 3.909 3.629 4.031 . 0 0 "[ . 1]" 1 536 1 77 SER H 1 78 ASP H 0.000 . 3.500 2.949 2.533 3.305 . 0 0 "[ . 1]" 1 537 1 78 ASP HA 1 79 GLY H 0.000 . 5.000 3.285 2.218 3.581 . 0 0 "[ . 1]" 1 538 1 78 ASP H 1 79 GLY H 0.000 . 3.500 2.637 1.771 3.535 0.035 3 0 "[ . 1]" 1 539 1 79 GLY QA 1 80 THR H 0.000 . 6.000 2.773 2.648 2.891 . 0 0 "[ . 1]" 1 540 1 79 GLY H 1 80 THR H 0.000 . 2.900 2.615 2.121 2.952 0.052 7 0 "[ . 1]" 1 541 1 80 THR HA 1 81 LEU HG 0.000 . 5.000 5.162 4.984 5.306 0.306 5 0 "[ . 1]" 1 542 1 80 THR HA 1 81 LEU H 0.000 . 3.500 2.342 2.283 2.418 . 0 0 "[ . 1]" 1 543 1 80 THR HB 1 81 LEU H 0.000 . 3.500 2.694 2.580 2.861 . 0 0 "[ . 1]" 1 544 1 80 THR MG 1 81 LEU H 0.000 . 6.500 3.482 3.016 3.840 . 0 0 "[ . 1]" 1 545 1 81 LEU HA 1 82 ASP H 0.000 . 3.500 2.152 2.062 2.197 . 0 0 "[ . 1]" 1 546 1 81 LEU MD1 1 82 ASP H 0.000 . 6.500 4.727 3.656 5.235 . 0 0 "[ . 1]" 1 547 1 81 LEU MD1 1 85 GLU QB 0.000 . 7.500 3.452 2.144 4.108 . 0 0 "[ . 1]" 1 548 1 81 LEU MD1 1 85 GLU QG 0.000 . 7.500 4.801 2.191 5.623 . 0 0 "[ . 1]" 1 549 1 81 LEU MD1 1 89 ALA MB 0.000 . 8.000 4.272 3.704 4.890 . 0 0 "[ . 1]" 1 550 1 81 LEU MD2 1 85 GLU QB 0.000 . 7.500 3.260 1.857 5.274 . 0 0 "[ . 1]" 1 551 1 81 LEU MD2 1 86 TYR HA 0.000 . 6.500 4.262 2.685 5.635 . 0 0 "[ . 1]" 1 552 1 81 LEU MD2 1 86 TYR QB 0.000 . 7.500 4.280 3.162 5.453 . 0 0 "[ . 1]" 1 553 1 82 ASP HA 1 83 PHE H 0.000 . 3.500 2.369 2.274 2.427 . 0 0 "[ . 1]" 1 554 1 82 ASP QB 1 83 PHE H 0.000 . 4.500 2.952 2.558 3.536 . 0 0 "[ . 1]" 1 555 1 83 PHE HA 1 86 TYR QB 0.000 . 6.000 2.232 2.054 2.448 . 0 0 "[ . 1]" 1 556 1 83 PHE HA 1 86 TYR H 0.000 . 3.500 3.247 2.863 3.534 0.034 6 0 "[ . 1]" 1 557 1 83 PHE QB 1 84 LYS H 0.000 . 4.500 2.497 2.147 3.053 . 0 0 "[ . 1]" 1 558 1 83 PHE QD 1 84 LYS H 0.000 . 7.000 3.645 2.978 4.285 . 0 0 "[ . 1]" 1 559 1 83 PHE QE 1 87 VAL MG1 0.000 . 6.800 4.305 4.074 4.772 . 0 0 "[ . 1]" 1 560 1 83 PHE H 1 84 LYS H 0.000 . 5.000 2.913 2.850 3.049 . 0 0 "[ . 1]" 1 561 1 84 LYS HA 1 85 GLU H 0.000 . 5.000 3.563 3.522 3.587 . 0 0 "[ . 1]" 1 562 1 84 LYS HA 1 87 VAL HB 0.000 . 5.000 3.404 3.137 3.745 . 0 0 "[ . 1]" 1 563 1 84 LYS HA 1 87 VAL MG1 0.000 . 6.500 4.729 4.467 5.045 . 0 0 "[ . 1]" 1 564 1 84 LYS HA 1 87 VAL H 0.000 . 3.500 3.569 3.531 3.629 0.129 6 0 "[ . 1]" 1 565 1 84 LYS HA 1 88 ILE MD 0.000 . 6.500 5.135 3.680 5.386 . 0 0 "[ . 1]" 1 566 1 84 LYS HA 1 88 ILE QG 0.000 . 6.000 4.413 4.168 5.298 . 0 0 "[ . 1]" 1 567 1 84 LYS QB 1 85 GLU H 0.000 . 6.000 2.336 1.827 2.654 . 0 0 "[ . 1]" 1 568 1 84 LYS QB 1 87 VAL H 0.000 . 6.000 5.100 4.995 5.187 . 0 0 "[ . 1]" 1 569 1 84 LYS QE 1 88 ILE MD 0.000 . 5.800 3.156 2.459 3.734 . 0 0 "[ . 1]" 1 570 1 84 LYS QG 1 88 ILE MD 0.000 . 5.800 3.352 2.856 3.879 . 0 0 "[ . 1]" 1 571 1 84 LYS H 1 85 GLU H 0.000 . 3.500 2.970 2.796 3.179 . 0 0 "[ . 1]" 1 572 1 85 GLU HA 1 88 ILE HB 0.000 . 5.000 2.682 2.389 2.885 . 0 0 "[ . 1]" 1 573 1 85 GLU HA 1 88 ILE MD 0.000 . 4.800 3.741 3.005 4.148 . 0 0 "[ . 1]" 1 574 1 85 GLU HA 1 88 ILE H 0.000 . 3.500 3.354 3.201 3.564 0.064 8 0 "[ . 1]" 1 575 1 85 GLU H 1 86 TYR H 0.000 . 3.500 2.622 2.349 2.733 . 0 0 "[ . 1]" 1 576 1 86 TYR HA 1 87 VAL H 0.000 . 3.500 3.559 3.532 3.582 0.082 6 0 "[ . 1]" 1 577 1 86 TYR HA 1 89 ALA MB 0.000 . 4.800 2.967 2.760 3.132 . 0 0 "[ . 1]" 1 578 1 86 TYR HA 1 89 ALA H 0.000 . 3.500 3.579 3.445 3.669 0.169 2 0 "[ . 1]" 1 579 1 86 TYR HA 1 90 LEU MD1 0.000 . 6.500 6.188 5.801 6.469 . 0 0 "[ . 1]" 1 580 1 86 TYR QD 1 87 VAL HA 0.000 . 7.000 3.592 3.188 4.167 . 0 0 "[ . 1]" 1 581 1 86 TYR QD 1 87 VAL H 0.000 . 7.000 3.831 3.435 4.036 . 0 0 "[ . 1]" 1 582 1 86 TYR QD 1 90 LEU MD2 0.000 . 6.800 3.129 2.726 3.586 . 0 0 "[ . 1]" 1 583 1 86 TYR H 1 87 VAL H 0.000 . 5.000 2.738 2.541 2.982 . 0 0 "[ . 1]" 1 584 1 87 VAL HA 1 90 LEU QB 0.000 . 4.300 2.485 2.176 2.830 . 0 0 "[ . 1]" 1 585 1 87 VAL HA 1 90 LEU MD1 0.000 . 6.500 5.024 4.393 5.363 . 0 0 "[ . 1]" 1 586 1 87 VAL HA 1 90 LEU MD2 0.000 . 6.500 3.788 3.440 4.037 . 0 0 "[ . 1]" 1 587 1 87 VAL HA 1 90 LEU HG 0.000 . 5.000 3.927 3.143 4.414 . 0 0 "[ . 1]" 1 588 1 87 VAL HA 1 90 LEU H 0.000 . 3.500 3.386 3.124 3.549 0.049 3 0 "[ . 1]" 1 589 1 87 VAL MG1 1 91 HIS HD1 0.000 . 6.500 4.616 3.492 5.366 . 0 0 "[ . 1]" 1 590 1 87 VAL H 1 88 ILE H 0.000 . 3.500 2.652 2.489 2.910 . 0 0 "[ . 1]" 1 591 1 88 ILE HA 1 89 ALA HA 0.000 . 5.000 4.742 4.715 4.780 . 0 0 "[ . 1]" 1 592 1 88 ILE HA 1 89 ALA H 0.000 . 5.000 3.550 3.512 3.587 . 0 0 "[ . 1]" 1 593 1 88 ILE HA 1 91 HIS QB 0.000 . 6.000 2.627 2.185 3.377 . 0 0 "[ . 1]" 1 594 1 88 ILE HA 1 92 MET ME 0.000 . 4.800 3.926 3.834 4.053 . 0 0 "[ . 1]" 1 595 1 88 ILE HB 1 89 ALA H 0.000 . 3.500 2.645 2.364 2.808 . 0 0 "[ . 1]" 1 596 1 88 ILE MD 1 92 MET ME 0.000 . 8.000 3.701 2.988 4.691 . 0 0 "[ . 1]" 1 597 1 88 ILE MG 1 89 ALA H 0.000 . 6.500 3.433 2.782 3.687 . 0 0 "[ . 1]" 1 598 1 88 ILE MG 1 92 MET ME 0.000 . 5.700 2.184 2.089 2.311 . 0 0 "[ . 1]" 1 599 1 88 ILE MG 1 104 TRP HD1 0.000 . 6.500 4.770 4.349 5.369 . 0 0 "[ . 1]" 1 600 1 88 ILE MG 1 104 TRP HE1 0.000 . 6.500 4.166 3.069 5.144 . 0 0 "[ . 1]" 1 601 1 89 ALA HA 1 92 MET QB 0.000 . 4.300 2.920 2.543 3.412 . 0 0 "[ . 1]" 1 602 1 89 ALA HA 1 92 MET H 0.000 . 3.500 3.490 3.380 3.608 0.108 5 0 "[ . 1]" 1 603 1 89 ALA MB 1 90 LEU H 0.000 . 6.500 2.363 2.140 2.702 . 0 0 "[ . 1]" 1 604 1 89 ALA H 1 90 LEU H 0.000 . 3.500 2.594 2.499 2.698 . 0 0 "[ . 1]" 1 605 1 90 LEU MD1 1 93 THR HB 0.000 . 6.500 4.346 3.937 5.300 . 0 0 "[ . 1]" 1 606 1 90 LEU MD2 1 93 THR HB 0.000 . 6.500 5.036 4.369 5.331 . 0 0 "[ . 1]" 1 607 1 90 LEU H 1 91 HIS H 0.000 . 5.000 2.585 2.466 2.727 . 0 0 "[ . 1]" 1 608 1 91 HIS HA 1 95 ALA MB 0.000 . 6.500 3.428 2.684 4.262 . 0 0 "[ . 1]" 1 609 1 91 HIS HD1 1 92 MET ME 0.000 . 6.500 4.436 2.755 5.434 . 0 0 "[ . 1]" 1 610 1 91 HIS HD2 1 95 ALA MB 0.000 . 6.500 3.353 2.151 4.997 . 0 0 "[ . 1]" 1 611 1 91 HIS HE1 1 95 ALA MB 0.000 . 6.500 3.588 2.442 5.313 . 0 0 "[ . 1]" 1 612 1 91 HIS H 1 92 MET H 0.000 . 3.500 2.519 2.302 2.714 . 0 0 "[ . 1]" 1 613 1 92 MET HA 1 95 ALA MB 0.000 . 4.800 3.650 3.263 3.862 . 0 0 "[ . 1]" 1 614 1 92 MET HA 1 101 LYS QE 0.000 . 6.000 4.319 2.963 5.307 . 0 0 "[ . 1]" 1 615 1 92 MET ME 1 95 ALA MB 0.000 . 8.000 5.267 5.096 5.450 . 0 0 "[ . 1]" 1 616 1 92 MET ME 1 101 LYS HA 0.000 . 4.800 3.964 3.802 4.086 . 0 0 "[ . 1]" 1 617 1 92 MET ME 1 104 TRP HA 0.000 . 6.500 5.268 5.024 5.347 . 0 0 "[ . 1]" 1 618 1 92 MET ME 1 104 TRP QB 0.000 . 5.800 3.286 3.056 3.543 . 0 0 "[ . 1]" 1 619 1 92 MET ME 1 104 TRP HD1 0.000 . 6.500 4.102 3.197 5.130 . 0 0 "[ . 1]" 1 620 1 92 MET H 1 93 THR H 0.000 . 5.000 2.645 2.333 2.827 . 0 0 "[ . 1]" 1 621 1 93 THR HA 1 94 SER H 0.000 . 5.000 3.288 2.930 3.549 . 0 0 "[ . 1]" 1 622 1 94 SER QB 1 95 ALA H 0.000 . 6.000 2.823 1.796 4.045 . 0 0 "[ . 1]" 1 623 1 95 ALA HA 1 96 GLY QA 0.000 . 6.000 4.130 3.922 4.492 . 0 0 "[ . 1]" 1 624 1 95 ALA MB 1 96 GLY QA 0.000 . 7.500 3.596 3.316 3.897 . 0 0 "[ . 1]" 1 625 1 101 LYS HA 1 104 TRP QB 0.000 . 4.300 3.147 2.665 3.844 . 0 0 "[ . 1]" 1 626 1 101 LYS HA 1 104 TRP H 0.000 . 3.500 3.413 3.247 3.545 0.045 7 0 "[ . 1]" 1 627 1 102 LEU HA 1 105 ALA MB 0.000 . 4.800 2.444 2.205 2.674 . 0 0 "[ . 1]" 1 628 1 102 LEU HA 1 105 ALA H 0.000 . 3.500 3.127 2.927 3.406 . 0 0 "[ . 1]" 1 629 1 102 LEU HA 1 173 ILE MG 0.000 . 6.500 5.126 4.737 5.250 . 0 0 "[ . 1]" 1 630 1 102 LEU QB 1 173 ILE MG 0.000 . 7.500 2.648 2.218 2.893 . 0 0 "[ . 1]" 1 631 1 102 LEU MD1 1 105 ALA MB 0.000 . 6.300 3.417 2.638 4.285 . 0 0 "[ . 1]" 1 632 1 102 LEU MD1 1 176 THR HB 0.000 . 4.800 3.563 2.686 3.973 . 0 0 "[ . 1]" 1 633 1 103 GLU HA 1 106 PHE QB 0.000 . 4.300 3.023 2.806 3.252 . 0 0 "[ . 1]" 1 634 1 103 GLU HA 1 106 PHE H 0.000 . 3.500 3.529 3.471 3.549 0.049 3 0 "[ . 1]" 1 635 1 103 GLU HA 1 173 ILE MD 0.000 . 4.800 3.661 3.048 3.874 . 0 0 "[ . 1]" 1 636 1 103 GLU H 1 104 TRP H 0.000 . 5.000 2.858 2.704 2.976 . 0 0 "[ . 1]" 1 637 1 104 TRP HA 1 105 ALA HA 0.000 . 5.000 4.811 4.760 4.843 . 0 0 "[ . 1]" 1 638 1 104 TRP HA 1 107 SER QB 0.000 . 4.300 3.310 2.887 3.639 . 0 0 "[ . 1]" 1 639 1 104 TRP HA 1 107 SER H 0.000 . 3.500 3.529 3.472 3.580 0.080 9 0 "[ . 1]" 1 640 1 104 TRP HD1 1 107 SER QB 0.000 . 6.000 4.356 2.958 5.343 . 0 0 "[ . 1]" 1 641 1 105 ALA HA 1 106 PHE H 0.000 . 5.000 3.534 3.451 3.562 . 0 0 "[ . 1]" 1 642 1 105 ALA HA 1 108 LEU QB 0.000 . 4.300 2.712 2.262 3.040 . 0 0 "[ . 1]" 1 643 1 105 ALA HA 1 108 LEU MD1 0.000 . 6.500 3.810 3.382 4.289 . 0 0 "[ . 1]" 1 644 1 105 ALA HA 1 108 LEU H 0.000 . 3.500 3.431 3.086 3.578 0.078 4 0 "[ . 1]" 1 645 1 105 ALA HA 1 109 TYR QD 0.000 . 7.000 5.306 4.652 5.798 . 0 0 "[ . 1]" 1 646 1 105 ALA MB 1 106 PHE QD 0.000 . 8.500 5.035 4.726 5.260 . 0 0 "[ . 1]" 1 647 1 105 ALA MB 1 106 PHE H 0.000 . 5.000 2.511 2.381 2.820 . 0 0 "[ . 1]" 1 648 1 105 ALA MB 1 109 TYR QD 0.000 . 8.500 4.402 3.332 4.938 . 0 0 "[ . 1]" 1 649 1 105 ALA MB 1 172 PHE QD 0.000 . 8.500 4.279 4.008 4.550 . 0 0 "[ . 1]" 1 650 1 105 ALA MB 1 186 ILE MD 0.000 . 6.300 3.335 2.432 4.088 . 0 0 "[ . 1]" 1 651 1 105 ALA H 1 106 PHE H 0.000 . 3.500 2.691 2.555 2.788 . 0 0 "[ . 1]" 1 652 1 106 PHE HA 1 107 SER H 0.000 . 5.000 3.526 3.402 3.558 . 0 0 "[ . 1]" 1 653 1 106 PHE HA 1 109 TYR QB 0.000 . 6.000 3.060 2.633 3.512 . 0 0 "[ . 1]" 1 654 1 106 PHE HA 1 109 TYR QD 0.000 . 7.000 4.691 3.419 5.485 . 0 0 "[ . 1]" 1 655 1 106 PHE HA 1 109 TYR H 0.000 . 5.000 3.860 3.569 4.174 . 0 0 "[ . 1]" 1 656 1 106 PHE HA 1 117 ILE MD 0.000 . 4.800 2.836 2.543 3.158 . 0 0 "[ . 1]" 1 657 1 106 PHE HA 1 117 ILE QG 0.000 . 6.000 4.346 4.151 4.652 . 0 0 "[ . 1]" 1 658 1 106 PHE QB 1 107 SER H 0.000 . 6.000 2.570 2.383 3.081 . 0 0 "[ . 1]" 1 659 1 106 PHE QB 1 117 ILE MD 0.000 . 7.500 4.119 3.699 4.517 . 0 0 "[ . 1]" 1 660 1 106 PHE QB 1 173 ILE MD 0.000 . 7.500 4.551 4.282 4.985 . 0 0 "[ . 1]" 1 661 1 106 PHE QD 1 107 SER H 0.000 . 7.000 3.768 3.222 4.531 . 0 0 "[ . 1]" 1 662 1 106 PHE QD 1 117 ILE MD 0.000 . 6.800 2.508 2.062 2.780 . 0 0 "[ . 1]" 1 663 1 106 PHE QD 1 169 GLU HA 0.000 . 7.000 2.898 2.654 3.135 . 0 0 "[ . 1]" 1 664 1 106 PHE QD 1 173 ILE MD 0.000 . 8.500 5.467 5.198 6.087 . 0 0 "[ . 1]" 1 665 1 106 PHE QE 1 116 THR HA 0.000 . 7.000 3.600 3.400 3.819 . 0 0 "[ . 1]" 1 666 1 106 PHE QE 1 116 THR MG 0.000 . 8.500 4.605 4.510 4.683 . 0 0 "[ . 1]" 1 667 1 106 PHE QE 1 117 ILE MD 0.000 . 6.800 2.691 2.146 3.107 . 0 0 "[ . 1]" 1 668 1 106 PHE QE 1 169 GLU HA 0.000 . 7.000 2.823 2.394 3.343 . 0 0 "[ . 1]" 1 669 1 106 PHE QE 1 172 PHE QB 0.000 . 8.000 2.629 2.142 3.213 . 0 0 "[ . 1]" 1 670 1 106 PHE H 1 107 SER H 0.000 . 3.500 2.758 2.620 2.851 . 0 0 "[ . 1]" 1 671 1 106 PHE HZ 1 116 THR HA 0.000 . 3.300 2.461 2.161 2.978 . 0 0 "[ . 1]" 1 672 1 106 PHE HZ 1 116 THR MG 0.000 . 4.800 3.888 3.718 3.991 . 0 0 "[ . 1]" 1 673 1 106 PHE HZ 1 117 ILE H 0.000 . 5.000 3.290 3.036 3.919 . 0 0 "[ . 1]" 1 674 1 107 SER HA 1 108 LEU H 0.000 . 3.500 3.551 3.522 3.565 0.065 1 0 "[ . 1]" 1 675 1 107 SER HA 1 110 ASP QB 0.000 . 6.000 2.464 2.254 2.841 . 0 0 "[ . 1]" 1 676 1 107 SER HA 1 110 ASP H 0.000 . 3.500 3.514 3.303 3.672 0.172 1 0 "[ . 1]" 1 677 1 107 SER H 1 108 LEU H 0.000 . 3.500 2.731 2.506 2.923 . 0 0 "[ . 1]" 1 678 1 108 LEU HA 1 109 TYR HA 0.000 . 5.000 4.730 4.681 4.838 . 0 0 "[ . 1]" 1 679 1 108 LEU HA 1 125 ILE MD 0.000 . 6.500 4.526 3.891 5.116 . 0 0 "[ . 1]" 1 680 1 108 LEU QB 1 109 TYR H 0.000 . 6.000 2.336 1.934 2.908 . 0 0 "[ . 1]" 1 681 1 108 LEU MD1 1 109 TYR QD 0.000 . 6.800 2.800 2.163 3.521 . 0 0 "[ . 1]" 1 682 1 108 LEU MD1 1 109 TYR QE 0.000 . 6.800 3.839 3.105 4.607 . 0 0 "[ . 1]" 1 683 1 108 LEU MD1 1 109 TYR H 0.000 . 6.500 2.686 1.987 4.120 . 0 0 "[ . 1]" 1 684 1 108 LEU MD1 1 125 ILE MD 0.000 . 8.000 3.208 2.221 3.960 . 0 0 "[ . 1]" 1 685 1 108 LEU MD1 1 125 ILE MG 0.000 . 6.300 2.577 1.983 3.467 . 0 0 "[ . 1]" 1 686 1 108 LEU MD1 1 188 PHE QB 0.000 . 7.500 3.670 3.229 4.341 . 0 0 "[ . 1]" 1 687 1 108 LEU MD2 1 109 TYR QD 0.000 . 8.500 4.186 2.964 5.276 . 0 0 "[ . 1]" 1 688 1 108 LEU MD2 1 125 ILE MD 0.000 . 6.300 2.616 1.893 3.914 . 0 0 "[ . 1]" 1 689 1 108 LEU MD2 1 125 ILE MG 0.000 . 6.300 2.941 2.134 3.816 . 0 0 "[ . 1]" 1 690 1 108 LEU MD2 1 188 PHE QB 0.000 . 7.500 4.946 4.332 5.518 . 0 0 "[ . 1]" 1 691 1 109 TYR HA 1 110 ASP H 0.000 . 5.000 3.354 3.134 3.540 . 0 0 "[ . 1]" 1 692 1 109 TYR HA 1 111 VAL MG1 0.000 . 6.500 3.877 2.944 4.844 . 0 0 "[ . 1]" 1 693 1 109 TYR HA 1 117 ILE MD 0.000 . 6.500 4.356 3.947 4.567 . 0 0 "[ . 1]" 1 694 1 109 TYR HA 1 125 ILE MD 0.000 . 6.500 2.845 1.917 3.458 . 0 0 "[ . 1]" 1 695 1 109 TYR HA 1 125 ILE MG 0.000 . 6.500 3.104 2.407 3.782 . 0 0 "[ . 1]" 1 696 1 109 TYR QB 1 110 ASP H 0.000 . 6.000 3.165 2.564 3.545 . 0 0 "[ . 1]" 1 697 1 109 TYR QB 1 117 ILE MD 0.000 . 5.800 2.052 1.941 2.105 . 0 0 "[ . 1]" 1 698 1 109 TYR QB 1 117 ILE MG 0.000 . 5.800 3.395 2.758 3.771 . 0 0 "[ . 1]" 1 699 1 109 TYR QD 1 117 ILE MD 0.000 . 8.500 2.716 1.952 3.545 . 0 0 "[ . 1]" 1 700 1 109 TYR QD 1 117 ILE MG 0.000 . 6.800 3.173 2.559 3.838 . 0 0 "[ . 1]" 1 701 1 109 TYR QD 1 122 VAL HA 0.000 . 7.000 3.335 2.184 4.413 . 0 0 "[ . 1]" 1 702 1 109 TYR QD 1 122 VAL MG1 0.000 . 6.200 2.682 2.131 3.314 . 0 0 "[ . 1]" 1 703 1 109 TYR QD 1 122 VAL MG2 0.000 . 6.800 4.745 4.121 5.195 . 0 0 "[ . 1]" 1 704 1 109 TYR QD 1 125 ILE MG 0.000 . 8.500 2.909 2.223 3.657 . 0 0 "[ . 1]" 1 705 1 109 TYR QE 1 122 VAL HA 0.000 . 7.000 3.301 2.136 4.192 . 0 0 "[ . 1]" 1 706 1 109 TYR QE 1 122 VAL MG1 0.000 . 8.500 2.710 2.068 3.825 . 0 0 "[ . 1]" 1 707 1 109 TYR QE 1 122 VAL MG2 0.000 . 6.800 3.977 3.642 4.537 . 0 0 "[ . 1]" 1 708 1 109 TYR QE 1 125 ILE HB 0.000 . 7.000 3.246 2.202 4.098 . 0 0 "[ . 1]" 1 709 1 109 TYR QE 1 125 ILE MG 0.000 . 6.800 2.798 2.092 3.923 . 0 0 "[ . 1]" 1 710 1 109 TYR QE 1 186 ILE HA 0.000 . 7.000 4.602 3.213 6.120 . 0 0 "[ . 1]" 1 711 1 109 TYR QE 1 186 ILE MD 0.000 . 6.800 3.581 2.108 4.631 . 0 0 "[ . 1]" 1 712 1 109 TYR H 1 110 ASP H 0.000 . 5.000 2.684 2.459 2.872 . 0 0 "[ . 1]" 1 713 1 109 TYR H 1 117 ILE MD 0.000 . 6.500 4.389 4.125 4.546 . 0 0 "[ . 1]" 1 714 1 110 ASP HA 1 111 VAL H 0.000 . 2.900 2.453 2.165 2.599 . 0 0 "[ . 1]" 1 715 1 110 ASP HA 1 117 ILE HA 0.000 . 5.000 3.707 3.183 4.883 . 0 0 "[ . 1]" 1 716 1 110 ASP HA 1 117 ILE MD 0.000 . 6.500 4.054 3.345 4.723 . 0 0 "[ . 1]" 1 717 1 110 ASP HA 1 117 ILE MG 0.000 . 6.500 3.776 3.299 4.581 . 0 0 "[ . 1]" 1 718 1 110 ASP HA 1 121 GLU QB 0.000 . 6.000 3.055 2.736 3.654 . 0 0 "[ . 1]" 1 719 1 110 ASP QB 1 117 ILE MD 0.000 . 5.800 3.127 2.446 4.011 . 0 0 "[ . 1]" 1 720 1 110 ASP H 1 111 VAL H 0.000 . 3.500 3.539 3.358 3.799 0.299 1 0 "[ . 1]" 1 721 1 110 ASP H 1 117 ILE MD 0.000 . 6.500 4.108 3.800 4.929 . 0 0 "[ . 1]" 1 722 1 110 ASP H 1 117 ILE QG 0.000 . 6.000 4.045 3.478 5.042 . 0 0 "[ . 1]" 1 723 1 111 VAL HA 1 125 ILE MD 0.000 . 6.500 4.679 4.186 5.215 . 0 0 "[ . 1]" 1 724 1 111 VAL HB 1 112 ASP H 0.000 . 3.500 3.639 3.527 3.893 0.393 4 0 "[ . 1]" 1 725 1 111 VAL QG 1 112 ASP H 0.000 . 5.900 2.146 1.672 2.955 . 0 0 "[ . 1]" 1 726 1 111 VAL QG 1 113 GLY H 0.000 . 7.400 4.307 3.864 4.726 . 0 0 "[ . 1]" 1 727 1 111 VAL MG1 1 124 GLU QB 0.000 . 5.800 3.280 2.648 3.916 . 0 0 "[ . 1]" 1 728 1 111 VAL MG1 1 124 GLU QG 0.000 . 5.800 3.983 3.404 4.225 . 0 0 "[ . 1]" 1 729 1 111 VAL MG1 1 125 ILE HA 0.000 . 6.500 4.546 4.073 4.821 . 0 0 "[ . 1]" 1 730 1 111 VAL MG1 1 125 ILE MD 0.000 . 5.700 1.993 1.687 2.445 . 0 0 "[ . 1]" 1 731 1 111 VAL MG1 1 125 ILE MG 0.000 . 6.300 4.249 4.015 4.542 . 0 0 "[ . 1]" 1 732 1 111 VAL MG2 1 112 ASP HA 0.000 . 4.800 3.148 2.966 3.494 . 0 0 "[ . 1]" 1 733 1 111 VAL MG2 1 124 GLU QB 0.000 . 5.800 3.302 2.671 4.117 . 0 0 "[ . 1]" 1 734 1 111 VAL MG2 1 125 ILE MD 0.000 . 8.000 3.249 2.352 4.048 . 0 0 "[ . 1]" 1 735 1 111 VAL H 1 112 ASP H 0.000 . 5.000 3.229 2.407 4.493 . 0 0 "[ . 1]" 1 736 1 111 VAL H 1 121 GLU HA 0.000 . 5.000 4.703 4.094 5.023 0.023 10 0 "[ . 1]" 1 737 1 112 ASP HA 1 113 GLY H 0.000 . 5.000 3.543 3.482 3.570 . 0 0 "[ . 1]" 1 738 1 112 ASP H 1 113 GLY H 0.000 . 2.900 2.882 2.420 3.099 0.199 1 0 "[ . 1]" 1 739 1 113 GLY QA 1 114 ASN H 0.000 . 4.500 2.540 2.177 2.938 . 0 0 "[ . 1]" 1 740 1 113 GLY H 1 114 ASN H 0.000 . 2.900 2.634 1.815 3.302 0.402 1 0 "[ . 1]" 1 741 1 114 ASN HA 1 115 GLY H 0.000 . 2.900 2.919 1.972 3.289 0.389 9 0 "[ . 1]" 1 742 1 114 ASN H 1 115 GLY H 0.000 . 3.500 2.914 1.798 3.920 0.420 1 0 "[ . 1]" 1 743 1 115 GLY QA 1 116 THR MG 0.000 . 7.500 3.548 3.133 3.956 . 0 0 "[ . 1]" 1 744 1 115 GLY QA 1 116 THR H 0.000 . 6.000 2.657 2.351 2.849 . 0 0 "[ . 1]" 1 745 1 115 GLY H 1 116 THR H 0.000 . 2.900 2.694 1.843 3.170 0.270 6 0 "[ . 1]" 1 746 1 116 THR HA 1 117 ILE HB 0.000 . 5.000 4.454 4.355 4.572 . 0 0 "[ . 1]" 1 747 1 116 THR HA 1 117 ILE H 0.000 . 2.900 2.184 2.109 2.356 . 0 0 "[ . 1]" 1 748 1 116 THR HA 1 166 LYS QB 0.000 . 4.300 3.886 3.636 4.144 . 0 0 "[ . 1]" 1 749 1 116 THR HA 1 167 LEU QB 0.000 . 6.000 4.596 4.381 4.894 . 0 0 "[ . 1]" 1 750 1 116 THR HA 1 168 THR HA 0.000 . 5.000 2.766 2.427 3.209 . 0 0 "[ . 1]" 1 751 1 116 THR HA 1 168 THR MG 0.000 . 6.500 4.017 3.753 4.317 . 0 0 "[ . 1]" 1 752 1 116 THR HA 1 169 GLU H 0.000 . 5.000 4.127 3.664 4.619 . 0 0 "[ . 1]" 1 753 1 116 THR HB 1 117 ILE H 0.000 . 3.500 3.265 2.693 3.551 0.051 3 0 "[ . 1]" 1 754 1 116 THR HB 1 166 LYS HA 0.000 . 5.000 4.379 3.665 4.885 . 0 0 "[ . 1]" 1 755 1 116 THR HB 1 166 LYS QB 0.000 . 3.700 2.140 1.940 2.496 . 0 0 "[ . 1]" 1 756 1 116 THR HB 1 166 LYS QG 0.000 . 4.300 3.571 2.165 3.974 . 0 0 "[ . 1]" 1 757 1 116 THR HB 1 167 LEU H 0.000 . 5.000 4.140 3.598 4.663 . 0 0 "[ . 1]" 1 758 1 116 THR HB 1 168 THR MG 0.000 . 6.500 4.653 3.655 5.134 . 0 0 "[ . 1]" 1 759 1 116 THR MG 1 117 ILE H 0.000 . 6.500 3.782 3.478 4.040 . 0 0 "[ . 1]" 1 760 1 116 THR MG 1 166 LYS QB 0.000 . 5.800 2.609 2.129 3.371 . 0 0 "[ . 1]" 1 761 1 116 THR MG 1 166 LYS QE 0.000 . 5.800 3.181 2.130 4.318 . 0 0 "[ . 1]" 1 762 1 116 THR MG 1 168 THR HA 0.000 . 4.800 2.681 2.196 3.183 . 0 0 "[ . 1]" 1 763 1 116 THR MG 1 168 THR HB 0.000 . 6.500 4.333 3.443 4.801 . 0 0 "[ . 1]" 1 764 1 116 THR MG 1 168 THR MG 0.000 . 5.700 2.511 1.996 3.064 . 0 0 "[ . 1]" 1 765 1 116 THR H 1 117 ILE H 0.000 . 5.000 4.335 4.040 4.637 . 0 0 "[ . 1]" 1 766 1 116 THR H 1 168 THR HA 0.000 . 5.000 5.125 4.979 5.274 0.274 3 0 "[ . 1]" 1 767 1 117 ILE HA 1 118 SER H 0.000 . 2.900 2.210 2.128 2.284 . 0 0 "[ . 1]" 1 768 1 117 ILE MD 1 122 VAL HA 0.000 . 6.500 5.166 5.063 5.213 . 0 0 "[ . 1]" 1 769 1 117 ILE MD 1 122 VAL MG1 0.000 . 6.300 3.274 3.114 3.733 . 0 0 "[ . 1]" 1 770 1 117 ILE MD 1 167 LEU MD1 0.000 . 6.300 4.780 4.511 5.239 . 0 0 "[ . 1]" 1 771 1 117 ILE MD 1 172 PHE QB 0.000 . 7.500 3.467 3.018 3.829 . 0 0 "[ . 1]" 1 772 1 117 ILE MD 1 172 PHE QD 0.000 . 6.800 2.538 2.119 3.078 . 0 0 "[ . 1]" 1 773 1 117 ILE MD 1 186 ILE MD 0.000 . 8.000 5.425 5.015 5.549 . 0 0 "[ . 1]" 1 774 1 117 ILE QG 1 122 VAL MG1 0.000 . 7.500 4.006 3.533 4.436 . 0 0 "[ . 1]" 1 775 1 117 ILE MG 1 118 SER HA 0.000 . 6.500 3.392 3.190 3.769 . 0 0 "[ . 1]" 1 776 1 117 ILE MG 1 118 SER H 0.000 . 5.000 2.231 1.854 3.109 . 0 0 "[ . 1]" 1 777 1 117 ILE MG 1 122 VAL HA 0.000 . 6.500 4.093 3.914 4.292 . 0 0 "[ . 1]" 1 778 1 117 ILE MG 1 122 VAL HB 0.000 . 6.500 4.280 3.767 4.713 . 0 0 "[ . 1]" 1 779 1 117 ILE MG 1 122 VAL MG1 0.000 . 5.700 1.999 1.855 2.164 . 0 0 "[ . 1]" 1 780 1 117 ILE MG 1 122 VAL H 0.000 . 6.500 3.104 2.995 3.262 . 0 0 "[ . 1]" 1 781 1 117 ILE MG 1 156 TRP HZ3 0.000 . 4.800 2.351 2.144 2.595 . 0 0 "[ . 1]" 1 782 1 117 ILE MG 1 167 LEU QB 0.000 . 7.500 3.331 2.979 3.591 . 0 0 "[ . 1]" 1 783 1 117 ILE MG 1 167 LEU MD1 0.000 . 6.300 5.310 4.996 5.528 . 0 0 "[ . 1]" 1 784 1 117 ILE MG 1 167 LEU MD2 0.000 . 8.000 3.578 3.145 3.798 . 0 0 "[ . 1]" 1 785 1 117 ILE H 1 167 LEU QB 0.000 . 6.000 2.998 2.851 3.158 . 0 0 "[ . 1]" 1 786 1 117 ILE H 1 167 LEU H 0.000 . 3.500 3.163 2.728 3.577 0.077 10 0 "[ . 1]" 1 787 1 117 ILE H 1 168 THR MG 0.000 . 6.500 5.114 4.733 5.315 . 0 0 "[ . 1]" 1 788 1 118 SER HA 1 119 LYS H 0.000 . 2.900 2.273 2.198 2.369 . 0 0 "[ . 1]" 1 789 1 118 SER HA 1 156 TRP HH2 0.000 . 5.000 2.693 2.395 3.106 . 0 0 "[ . 1]" 1 790 1 118 SER HA 1 156 TRP HZ2 0.000 . 5.000 3.887 3.157 4.414 . 0 0 "[ . 1]" 1 791 1 118 SER HA 1 166 LYS HA 0.000 . 5.000 3.650 3.280 4.172 . 0 0 "[ . 1]" 1 792 1 118 SER HA 1 167 LEU QB 0.000 . 6.000 5.004 4.723 5.319 . 0 0 "[ . 1]" 1 793 1 118 SER QB 1 119 LYS H 0.000 . 6.000 2.910 2.560 3.505 . 0 0 "[ . 1]" 1 794 1 118 SER H 1 121 GLU QB 0.000 . 3.900 2.128 1.756 2.341 . 0 0 "[ . 1]" 1 795 1 118 SER H 1 156 TRP HZ3 0.000 . 5.000 4.680 4.348 5.012 0.012 8 0 "[ . 1]" 1 796 1 119 LYS HA 1 122 VAL HB 0.000 . 5.000 4.807 4.571 4.987 . 0 0 "[ . 1]" 1 797 1 119 LYS HA 1 122 VAL MG1 0.000 . 4.800 3.048 2.130 3.706 . 0 0 "[ . 1]" 1 798 1 119 LYS HA 1 122 VAL H 0.000 . 3.500 3.622 3.572 3.664 0.164 1 0 "[ . 1]" 1 799 1 119 LYS HA 1 156 TRP HH2 0.000 . 5.000 4.750 4.371 5.096 0.096 10 0 "[ . 1]" 1 800 1 119 LYS QB 1 120 ASN H 0.000 . 6.000 3.147 2.559 3.682 . 0 0 "[ . 1]" 1 801 1 119 LYS QG 1 122 VAL MG2 0.000 . 7.500 3.625 2.886 4.378 . 0 0 "[ . 1]" 1 802 1 119 LYS H 1 120 ASN H 0.000 . 5.000 2.806 2.658 2.966 . 0 0 "[ . 1]" 1 803 1 119 LYS H 1 156 TRP HH2 0.000 . 5.000 3.504 3.189 3.928 . 0 0 "[ . 1]" 1 804 1 119 LYS H 1 156 TRP HZ3 0.000 . 5.000 4.191 3.524 4.983 . 0 0 "[ . 1]" 1 805 1 120 ASN HA 1 121 GLU H 0.000 . 5.000 3.493 3.457 3.524 . 0 0 "[ . 1]" 1 806 1 120 ASN HA 1 123 LEU QB 0.000 . 4.300 2.403 2.167 2.545 . 0 0 "[ . 1]" 1 807 1 120 ASN HA 1 123 LEU H 0.000 . 3.500 3.584 3.423 3.655 0.155 3 0 "[ . 1]" 1 808 1 120 ASN QB 1 121 GLU H 0.000 . 4.500 2.828 2.602 3.551 . 0 0 "[ . 1]" 1 809 1 120 ASN QB 1 123 LEU QB 0.000 . 7.000 4.085 3.678 4.411 . 0 0 "[ . 1]" 1 810 1 120 ASN QB 1 123 LEU MD1 0.000 . 7.500 4.737 4.033 5.695 . 0 0 "[ . 1]" 1 811 1 120 ASN H 1 121 GLU H 0.000 . 5.000 2.453 2.298 2.582 . 0 0 "[ . 1]" 1 812 1 121 GLU HA 1 124 GLU QB 0.000 . 4.300 3.338 2.980 3.628 . 0 0 "[ . 1]" 1 813 1 121 GLU HA 1 124 GLU H 0.000 . 3.500 3.572 3.362 3.674 0.174 1 0 "[ . 1]" 1 814 1 121 GLU HA 1 125 ILE MD 0.000 . 6.500 4.594 3.563 5.354 . 0 0 "[ . 1]" 1 815 1 121 GLU H 1 122 VAL H 0.000 . 3.500 2.670 2.597 2.792 . 0 0 "[ . 1]" 1 816 1 122 VAL HA 1 125 ILE HB 0.000 . 5.000 2.839 2.484 3.806 . 0 0 "[ . 1]" 1 817 1 122 VAL HA 1 125 ILE H 0.000 . 3.500 3.392 3.212 3.509 0.009 9 0 "[ . 1]" 1 818 1 122 VAL HB 1 123 LEU H 0.000 . 3.500 3.709 3.551 3.852 0.352 3 0 "[ . 1]" 1 819 1 122 VAL HB 1 155 ILE MD 0.000 . 6.500 3.354 2.501 4.051 . 0 0 "[ . 1]" 1 820 1 122 VAL QG 1 123 LEU H 0.000 . 5.900 1.822 1.642 2.135 . 0 0 "[ . 1]" 1 821 1 122 VAL MG1 1 156 TRP HZ3 0.000 . 4.800 3.031 2.337 3.605 . 0 0 "[ . 1]" 1 822 1 122 VAL MG1 1 167 LEU MD1 0.000 . 8.000 6.427 6.092 6.673 . 0 0 "[ . 1]" 1 823 1 122 VAL MG2 1 152 ALA HA 0.000 . 4.800 3.477 3.137 3.884 . 0 0 "[ . 1]" 1 824 1 122 VAL MG2 1 155 ILE HB 0.000 . 4.800 3.674 3.580 3.862 . 0 0 "[ . 1]" 1 825 1 122 VAL MG2 1 155 ILE MD 0.000 . 5.700 3.595 3.378 3.716 . 0 0 "[ . 1]" 1 826 1 122 VAL MG2 1 155 ILE QG 0.000 . 7.500 5.079 4.910 5.212 . 0 0 "[ . 1]" 1 827 1 122 VAL MG2 1 155 ILE H 0.000 . 6.500 5.281 5.181 5.376 . 0 0 "[ . 1]" 1 828 1 122 VAL H 1 123 LEU H 0.000 . 3.500 2.653 2.555 2.738 . 0 0 "[ . 1]" 1 829 1 123 LEU HA 1 126 VAL HB 0.000 . 5.000 2.486 2.176 2.808 . 0 0 "[ . 1]" 1 830 1 123 LEU HA 1 126 VAL H 0.000 . 3.500 3.480 3.122 3.565 0.065 7 0 "[ . 1]" 1 831 1 123 LEU QB 1 124 GLU H 0.000 . 4.500 2.326 2.105 2.633 . 0 0 "[ . 1]" 1 832 1 123 LEU MD1 1 124 GLU H 0.000 . 6.500 3.903 2.509 4.620 . 0 0 "[ . 1]" 1 833 1 123 LEU MD1 1 149 GLU HA 0.000 . 6.500 3.836 2.750 4.924 . 0 0 "[ . 1]" 1 834 1 123 LEU MD1 1 149 GLU QB 0.000 . 7.500 4.499 3.441 5.537 . 0 0 "[ . 1]" 1 835 1 123 LEU MD2 1 126 VAL MG2 0.000 . 8.000 4.164 3.652 5.358 . 0 0 "[ . 1]" 1 836 1 123 LEU MD2 1 127 THR HA 0.000 . 6.500 4.616 3.903 5.470 . 0 0 "[ . 1]" 1 837 1 123 LEU MD2 1 127 THR H 0.000 . 6.500 3.644 3.039 4.910 . 0 0 "[ . 1]" 1 838 1 123 LEU MD2 1 148 PRO QB 0.000 . 7.500 2.679 2.196 3.553 . 0 0 "[ . 1]" 1 839 1 123 LEU MD2 1 149 GLU HA 0.000 . 4.200 2.905 2.435 3.271 . 0 0 "[ . 1]" 1 840 1 123 LEU MD2 1 149 GLU QB 0.000 . 7.500 3.832 3.140 4.496 . 0 0 "[ . 1]" 1 841 1 123 LEU MD2 1 149 GLU QG 0.000 . 5.800 3.275 2.315 4.129 . 0 0 "[ . 1]" 1 842 1 123 LEU MD2 1 149 GLU H 0.000 . 6.500 3.891 3.121 4.639 . 0 0 "[ . 1]" 1 843 1 123 LEU MD2 1 152 ALA MB 0.000 . 5.700 2.700 1.870 3.328 . 0 0 "[ . 1]" 1 844 1 123 LEU MD2 1 152 ALA H 0.000 . 6.500 4.585 3.904 5.348 . 0 0 "[ . 1]" 1 845 1 123 LEU HG 1 124 GLU H 0.000 . 5.000 4.580 3.162 4.911 . 0 0 "[ . 1]" 1 846 1 123 LEU H 1 124 GLU H 0.000 . 3.500 2.973 2.776 3.109 . 0 0 "[ . 1]" 1 847 1 124 GLU HA 1 127 THR HB 0.000 . 3.300 2.571 2.220 2.876 . 0 0 "[ . 1]" 1 848 1 124 GLU HA 1 127 THR MG 0.000 . 6.500 3.979 3.721 4.331 . 0 0 "[ . 1]" 1 849 1 124 GLU HA 1 127 THR H 0.000 . 3.500 3.459 3.257 3.538 0.038 7 0 "[ . 1]" 1 850 1 124 GLU QB 1 125 ILE MD 0.000 . 7.500 2.823 2.202 3.938 . 0 0 "[ . 1]" 1 851 1 124 GLU QB 1 125 ILE H 0.000 . 4.500 2.228 2.041 2.432 . 0 0 "[ . 1]" 1 852 1 124 GLU QB 1 128 ALA MB 0.000 . 5.800 4.137 3.997 4.300 . 0 0 "[ . 1]" 1 853 1 124 GLU QG 1 125 ILE MD 0.000 . 5.800 4.022 3.530 4.293 . 0 0 "[ . 1]" 1 854 1 124 GLU H 1 125 ILE H 0.000 . 3.500 2.850 2.752 2.961 . 0 0 "[ . 1]" 1 855 1 125 ILE HA 1 128 ALA MB 0.000 . 4.800 2.396 2.029 2.623 . 0 0 "[ . 1]" 1 856 1 125 ILE HA 1 128 ALA H 0.000 . 3.500 3.503 3.225 3.554 0.054 1 0 "[ . 1]" 1 857 1 125 ILE HB 1 126 VAL H 0.000 . 5.000 2.544 2.155 2.992 . 0 0 "[ . 1]" 1 858 1 125 ILE MD 1 128 ALA MB 0.000 . 8.000 3.817 3.369 4.828 . 0 0 "[ . 1]" 1 859 1 125 ILE MG 1 126 VAL H 0.000 . 6.500 3.543 2.941 4.015 . 0 0 "[ . 1]" 1 860 1 125 ILE MG 1 128 ALA MB 0.000 . 6.300 3.497 3.162 3.758 . 0 0 "[ . 1]" 1 861 1 125 ILE MG 1 129 ILE MD 0.000 . 5.700 2.161 1.959 2.404 . 0 0 "[ . 1]" 1 862 1 125 ILE H 1 126 VAL H 0.000 . 3.500 2.759 2.651 2.874 . 0 0 "[ . 1]" 1 863 1 126 VAL HA 1 127 THR H 0.000 . 5.000 3.545 3.530 3.561 . 0 0 "[ . 1]" 1 864 1 126 VAL HA 1 129 ILE HB 0.000 . 5.000 2.656 2.190 2.995 . 0 0 "[ . 1]" 1 865 1 126 VAL HA 1 129 ILE MD 0.000 . 4.800 2.309 2.157 2.679 . 0 0 "[ . 1]" 1 866 1 126 VAL HA 1 129 ILE MG 0.000 . 6.500 3.979 3.388 4.341 . 0 0 "[ . 1]" 1 867 1 126 VAL HA 1 129 ILE H 0.000 . 3.500 3.565 3.485 3.619 0.119 8 0 "[ . 1]" 1 868 1 126 VAL HB 1 129 ILE MD 0.000 . 6.500 4.987 4.782 5.201 . 0 0 "[ . 1]" 1 869 1 126 VAL MG1 1 152 ALA HA 0.000 . 6.500 3.399 3.131 3.662 . 0 0 "[ . 1]" 1 870 1 126 VAL MG2 1 129 ILE MD 0.000 . 8.000 3.389 3.162 3.491 . 0 0 "[ . 1]" 1 871 1 126 VAL MG2 1 130 PHE QB 0.000 . 7.500 5.795 5.237 6.214 . 0 0 "[ . 1]" 1 872 1 126 VAL MG2 1 130 PHE QD 0.000 . 6.200 5.307 4.244 6.042 . 0 0 "[ . 1]" 1 873 1 126 VAL MG2 1 130 PHE QE 0.000 . 6.800 5.872 4.590 7.004 0.204 7 0 "[ . 1]" 1 874 1 126 VAL MG2 1 148 PRO HA 0.000 . 4.800 4.519 4.165 4.677 . 0 0 "[ . 1]" 1 875 1 126 VAL MG2 1 151 ARG QB 0.000 . 5.200 3.661 2.777 4.386 . 0 0 "[ . 1]" 1 876 1 126 VAL MG2 1 151 ARG QD 0.000 . 5.800 5.122 4.710 5.419 . 0 0 "[ . 1]" 1 877 1 126 VAL MG2 1 152 ALA HA 0.000 . 6.500 2.635 2.389 3.155 . 0 0 "[ . 1]" 1 878 1 126 VAL MG2 1 152 ALA H 0.000 . 6.500 4.004 3.555 4.703 . 0 0 "[ . 1]" 1 879 1 126 VAL MG2 1 155 ILE MD 0.000 . 6.300 2.101 1.883 2.342 . 0 0 "[ . 1]" 1 880 1 126 VAL H 1 127 THR H 0.000 . 3.500 2.638 2.557 2.708 . 0 0 "[ . 1]" 1 881 1 127 THR HA 1 128 ALA H 0.000 . 5.000 3.538 3.493 3.562 . 0 0 "[ . 1]" 1 882 1 127 THR HA 1 130 PHE QB 0.000 . 4.300 2.548 2.350 2.774 . 0 0 "[ . 1]" 1 883 1 127 THR HA 1 130 PHE H 0.000 . 3.500 3.471 3.326 3.567 0.067 3 0 "[ . 1]" 1 884 1 127 THR HA 1 148 PRO QB 0.000 . 6.000 2.308 2.138 2.715 . 0 0 "[ . 1]" 1 885 1 127 THR HA 1 148 PRO QG 0.000 . 6.000 2.830 2.371 3.176 . 0 0 "[ . 1]" 1 886 1 127 THR HB 1 128 ALA H 0.000 . 3.500 2.493 2.243 2.826 . 0 0 "[ . 1]" 1 887 1 127 THR HB 1 148 PRO QB 0.000 . 6.000 4.131 3.724 4.462 . 0 0 "[ . 1]" 1 888 1 127 THR HB 1 148 PRO QG 0.000 . 6.000 4.848 4.214 5.388 . 0 0 "[ . 1]" 1 889 1 127 THR MG 1 128 ALA HA 0.000 . 6.500 3.439 3.068 3.758 . 0 0 "[ . 1]" 1 890 1 127 THR MG 1 128 ALA H 0.000 . 5.000 3.338 3.006 3.591 . 0 0 "[ . 1]" 1 891 1 127 THR MG 1 130 PHE QB 0.000 . 7.500 3.614 3.399 3.906 . 0 0 "[ . 1]" 1 892 1 127 THR MG 1 130 PHE H 0.000 . 6.500 4.745 4.630 4.914 . 0 0 "[ . 1]" 1 893 1 127 THR MG 1 148 PRO QB 0.000 . 5.800 3.378 3.016 4.060 . 0 0 "[ . 1]" 1 894 1 127 THR MG 1 148 PRO QG 0.000 . 5.800 2.950 2.273 3.373 . 0 0 "[ . 1]" 1 895 1 127 THR H 1 128 ALA H 0.000 . 2.900 2.636 2.432 2.758 . 0 0 "[ . 1]" 1 896 1 128 ALA HA 1 131 LYS QB 0.000 . 6.000 3.141 2.277 4.465 . 0 0 "[ . 1]" 1 897 1 128 ALA HA 1 131 LYS QE 0.000 . 6.000 4.331 2.720 5.164 . 0 0 "[ . 1]" 1 898 1 128 ALA MB 1 129 ILE HB 0.000 . 6.500 4.308 4.240 4.390 . 0 0 "[ . 1]" 1 899 1 128 ALA MB 1 129 ILE H 0.000 . 5.000 2.322 2.166 2.519 . 0 0 "[ . 1]" 1 900 1 128 ALA MB 1 131 LYS QG 0.000 . 7.500 4.482 3.758 5.402 . 0 0 "[ . 1]" 1 901 1 128 ALA H 1 129 ILE H 0.000 . 3.500 2.752 2.657 2.846 . 0 0 "[ . 1]" 1 902 1 129 ILE HA 1 132 MET QB 0.000 . 6.000 2.711 2.220 3.221 . 0 0 "[ . 1]" 1 903 1 129 ILE HA 1 132 MET ME 0.000 . 6.500 5.244 4.746 5.480 . 0 0 "[ . 1]" 1 904 1 129 ILE HA 1 132 MET QG 0.000 . 6.000 4.415 3.354 5.340 . 0 0 "[ . 1]" 1 905 1 129 ILE HA 1 132 MET H 0.000 . 5.000 3.291 3.065 3.492 . 0 0 "[ . 1]" 1 906 1 129 ILE HB 1 130 PHE H 0.000 . 5.000 2.465 2.288 2.580 . 0 0 "[ . 1]" 1 907 1 129 ILE HB 1 133 ILE MD 0.000 . 6.500 4.803 4.210 5.100 . 0 0 "[ . 1]" 1 908 1 129 ILE MD 1 155 ILE MD 0.000 . 6.300 4.347 4.157 4.429 . 0 0 "[ . 1]" 1 909 1 129 ILE MD 1 188 PHE HA 0.000 . 4.800 3.321 2.599 3.860 . 0 0 "[ . 1]" 1 910 1 129 ILE MD 1 188 PHE QB 0.000 . 5.800 3.168 2.609 3.895 . 0 0 "[ . 1]" 1 911 1 129 ILE MG 1 130 PHE HA 0.000 . 4.800 3.067 2.846 3.220 . 0 0 "[ . 1]" 1 912 1 129 ILE MG 1 130 PHE QE 0.000 . 8.500 4.777 3.963 5.930 . 0 0 "[ . 1]" 1 913 1 129 ILE MG 1 130 PHE H 0.000 . 6.500 2.966 2.696 3.183 . 0 0 "[ . 1]" 1 914 1 129 ILE MG 1 133 ILE MD 0.000 . 6.300 2.598 1.971 2.920 . 0 0 "[ . 1]" 1 915 1 129 ILE MG 1 188 PHE HA 0.000 . 6.500 4.263 3.142 5.194 . 0 0 "[ . 1]" 1 916 1 129 ILE MG 1 188 PHE QB 0.000 . 7.500 4.584 4.135 5.030 . 0 0 "[ . 1]" 1 917 1 129 ILE H 1 130 PHE H 0.000 . 3.500 2.811 2.674 2.939 . 0 0 "[ . 1]" 1 918 1 130 PHE HA 1 131 LYS H 0.000 . 5.000 3.526 3.440 3.588 . 0 0 "[ . 1]" 1 919 1 130 PHE HA 1 133 ILE HB 0.000 . 5.000 2.920 2.704 3.364 . 0 0 "[ . 1]" 1 920 1 130 PHE HA 1 133 ILE MD 0.000 . 4.800 2.571 2.176 3.088 . 0 0 "[ . 1]" 1 921 1 130 PHE HA 1 133 ILE MG 0.000 . 6.500 4.169 3.991 4.295 . 0 0 "[ . 1]" 1 922 1 130 PHE HA 1 133 ILE H 0.000 . 5.000 3.386 3.236 3.617 . 0 0 "[ . 1]" 1 923 1 130 PHE QB 1 131 LYS HA 0.000 . 6.000 3.800 3.728 3.947 . 0 0 "[ . 1]" 1 924 1 130 PHE QB 1 131 LYS H 0.000 . 6.000 2.673 2.016 2.982 . 0 0 "[ . 1]" 1 925 1 130 PHE QB 1 133 ILE MG 0.000 . 7.500 5.397 4.914 5.606 . 0 0 "[ . 1]" 1 926 1 130 PHE QB 1 147 THR HA 0.000 . 6.000 5.433 5.400 5.469 . 0 0 "[ . 1]" 1 927 1 130 PHE QB 1 148 PRO HA 0.000 . 6.000 4.448 3.754 5.231 . 0 0 "[ . 1]" 1 928 1 130 PHE QB 1 148 PRO QG 0.000 . 7.000 3.131 2.655 3.522 . 0 0 "[ . 1]" 1 929 1 130 PHE QD 1 133 ILE MD 0.000 . 8.500 3.322 2.364 4.285 . 0 0 "[ . 1]" 1 930 1 130 PHE QD 1 138 THR MG 0.000 . 6.800 3.001 1.995 3.947 . 0 0 "[ . 1]" 1 931 1 130 PHE QD 1 141 LEU MD1 0.000 . 8.500 4.248 3.321 5.431 . 0 0 "[ . 1]" 1 932 1 130 PHE QD 1 147 THR HA 0.000 . 7.000 4.430 3.781 5.338 . 0 0 "[ . 1]" 1 933 1 130 PHE QD 1 148 PRO HA 0.000 . 7.000 4.066 3.773 4.800 . 0 0 "[ . 1]" 1 934 1 130 PHE QD 1 148 PRO QG 0.000 . 8.000 3.684 3.205 4.312 . 0 0 "[ . 1]" 1 935 1 130 PHE QE 1 133 ILE MD 0.000 . 8.500 3.752 3.078 5.082 . 0 0 "[ . 1]" 1 936 1 130 PHE QE 1 138 THR MG 0.000 . 6.800 2.663 2.315 3.263 . 0 0 "[ . 1]" 1 937 1 130 PHE QE 1 141 LEU MD1 0.000 . 6.800 2.870 2.349 3.841 . 0 0 "[ . 1]" 1 938 1 130 PHE QE 1 148 PRO HA 0.000 . 7.000 4.277 3.380 5.209 . 0 0 "[ . 1]" 1 939 1 130 PHE H 1 131 LYS H 0.000 . 5.000 2.816 2.666 3.135 . 0 0 "[ . 1]" 1 940 1 131 LYS HA 1 132 MET H 0.000 . 5.000 3.543 3.512 3.566 . 0 0 "[ . 1]" 1 941 1 131 LYS QB 1 132 MET H 0.000 . 6.000 2.498 2.149 3.357 . 0 0 "[ . 1]" 1 942 1 131 LYS H 1 132 MET H 0.000 . 3.500 2.674 2.536 2.817 . 0 0 "[ . 1]" 1 943 1 132 MET QB 1 133 ILE H 0.000 . 6.000 2.858 2.496 3.161 . 0 0 "[ . 1]" 1 944 1 132 MET H 1 133 ILE H 0.000 . 2.900 2.666 2.533 2.792 . 0 0 "[ . 1]" 1 945 1 133 ILE HA 1 134 SER H 0.000 . 2.900 2.204 2.141 2.348 . 0 0 "[ . 1]" 1 946 1 133 ILE HB 1 134 SER H 0.000 . 5.000 4.165 3.714 4.504 . 0 0 "[ . 1]" 1 947 1 133 ILE HB 1 137 ASP QB 0.000 . 6.000 5.011 4.836 5.343 . 0 0 "[ . 1]" 1 948 1 133 ILE HB 1 138 THR HA 0.000 . 5.000 5.030 4.916 5.080 0.080 7 0 "[ . 1]" 1 949 1 133 ILE MD 1 134 SER H 0.000 . 6.500 5.014 4.559 5.452 . 0 0 "[ . 1]" 1 950 1 133 ILE MD 1 138 THR HA 0.000 . 6.500 4.315 3.986 4.487 . 0 0 "[ . 1]" 1 951 1 133 ILE MD 1 138 THR MG 0.000 . 6.300 3.360 2.535 3.861 . 0 0 "[ . 1]" 1 952 1 133 ILE MD 1 141 LEU MD2 0.000 . 6.300 3.796 2.775 4.210 . 0 0 "[ . 1]" 1 953 1 133 ILE MD 1 141 LEU MD1 0.000 . 6.300 3.634 3.092 4.195 . 0 0 "[ . 1]" 1 954 1 133 ILE MG 1 134 SER H 0.000 . 4.400 2.657 1.951 3.433 . 0 0 "[ . 1]" 1 955 1 133 ILE MG 1 137 ASP HA 0.000 . 6.500 4.754 4.405 5.218 . 0 0 "[ . 1]" 1 956 1 133 ILE MG 1 137 ASP QB 0.000 . 5.800 2.424 2.113 2.881 . 0 0 "[ . 1]" 1 957 1 133 ILE MG 1 137 ASP H 0.000 . 6.500 3.879 3.535 4.201 . 0 0 "[ . 1]" 1 958 1 133 ILE MG 1 138 THR HA 0.000 . 4.200 3.141 2.838 3.372 . 0 0 "[ . 1]" 1 959 1 133 ILE MG 1 138 THR HB 0.000 . 6.500 4.218 4.022 4.456 . 0 0 "[ . 1]" 1 960 1 133 ILE MG 1 138 THR MG 0.000 . 5.700 2.963 2.659 3.176 . 0 0 "[ . 1]" 1 961 1 133 ILE MG 1 138 THR H 0.000 . 4.800 3.166 2.628 3.619 . 0 0 "[ . 1]" 1 962 1 133 ILE H 1 134 SER H 0.000 . 5.000 4.455 3.987 4.650 . 0 0 "[ . 1]" 1 963 1 134 SER HA 1 135 PRO QD 0.000 . 3.700 1.975 1.927 2.028 . 0 0 "[ . 1]" 1 964 1 134 SER HA 1 135 PRO QG 0.000 . 6.000 3.920 3.864 3.988 . 0 0 "[ . 1]" 1 965 1 134 SER H 1 137 ASP QB 0.000 . 6.000 3.630 2.732 4.247 . 0 0 "[ . 1]" 1 966 1 135 PRO HA 1 136 GLU HA 0.000 . 5.000 4.876 4.832 4.942 . 0 0 "[ . 1]" 1 967 1 135 PRO HA 1 138 THR MG 0.000 . 6.500 3.689 3.379 4.179 . 0 0 "[ . 1]" 1 968 1 135 PRO HA 1 138 THR H 0.000 . 5.000 2.980 2.564 3.513 . 0 0 "[ . 1]" 1 969 1 135 PRO QB 1 136 GLU HA 0.000 . 4.300 3.658 3.605 3.698 . 0 0 "[ . 1]" 1 970 1 135 PRO QB 1 138 THR HB 0.000 . 6.000 3.899 3.611 4.323 . 0 0 "[ . 1]" 1 971 1 135 PRO QD 1 138 THR HB 0.000 . 6.000 5.224 5.038 5.427 . 0 0 "[ . 1]" 1 972 1 136 GLU HA 1 137 ASP H 0.000 . 3.500 3.471 3.320 3.562 0.062 8 0 "[ . 1]" 1 973 1 136 GLU QB 1 137 ASP HA 0.000 . 6.000 4.193 3.841 4.422 . 0 0 "[ . 1]" 1 974 1 136 GLU QB 1 137 ASP H 0.000 . 3.900 2.774 2.081 3.425 . 0 0 "[ . 1]" 1 975 1 136 GLU H 1 137 ASP H 0.000 . 5.000 2.871 2.766 3.142 . 0 0 "[ . 1]" 1 976 1 137 ASP HA 1 138 THR H 0.000 . 5.000 3.467 3.266 3.558 . 0 0 "[ . 1]" 1 977 1 137 ASP HA 1 140 HIS QB 0.000 . 6.000 3.425 2.274 4.221 . 0 0 "[ . 1]" 1 978 1 137 ASP HA 1 140 HIS HD2 0.000 . 3.300 2.961 2.390 3.368 0.068 10 0 "[ . 1]" 1 979 1 137 ASP QB 1 138 THR H 0.000 . 6.000 2.797 2.333 3.368 . 0 0 "[ . 1]" 1 980 1 137 ASP H 1 138 THR H 0.000 . 2.900 2.189 1.766 2.618 . 0 0 "[ . 1]" 1 981 1 137 ASP H 1 139 LYS H 0.000 . 5.000 4.000 3.485 4.893 . 0 0 "[ . 1]" 1 982 1 138 THR HA 1 139 LYS H 0.000 . 5.000 3.473 3.287 3.577 . 0 0 "[ . 1]" 1 983 1 138 THR HA 1 141 LEU MD2 0.000 . 4.800 3.502 3.125 3.940 . 0 0 "[ . 1]" 1 984 1 138 THR HA 1 141 LEU MD1 0.000 . 4.200 2.114 1.956 2.366 . 0 0 "[ . 1]" 1 985 1 138 THR HA 1 141 LEU HG 0.000 . 3.300 2.787 2.407 3.343 0.043 2 0 "[ . 1]" 1 986 1 138 THR HA 1 141 LEU H 0.000 . 5.000 3.916 3.416 4.455 . 0 0 "[ . 1]" 1 987 1 138 THR HB 1 139 LYS H 0.000 . 3.500 2.717 1.824 3.446 . 0 0 "[ . 1]" 1 988 1 138 THR HB 1 141 LEU MD1 0.000 . 4.800 3.876 3.825 3.948 . 0 0 "[ . 1]" 1 989 1 138 THR HB 1 141 LEU HG 0.000 . 6.000 5.429 5.060 6.081 0.081 2 0 "[ . 1]" 1 990 1 138 THR MG 1 139 LYS H 0.000 . 5.000 3.928 3.432 4.240 . 0 0 "[ . 1]" 1 991 1 138 THR MG 1 141 LEU MD1 0.000 . 5.700 1.972 1.840 2.143 . 0 0 "[ . 1]" 1 992 1 138 THR MG 1 146 ASN QB 0.000 . 7.500 4.455 3.692 5.244 . 0 0 "[ . 1]" 1 993 1 138 THR H 1 139 LYS H 0.000 . 3.500 2.647 2.333 2.974 . 0 0 "[ . 1]" 1 994 1 139 LYS QB 1 140 HIS QB 0.000 . 7.000 4.455 3.909 4.867 . 0 0 "[ . 1]" 1 995 1 140 HIS HA 1 141 LEU H 0.000 . 3.500 3.303 2.868 3.567 0.067 2 0 "[ . 1]" 1 996 1 141 LEU MD2 1 146 ASN HA 0.000 . 6.500 4.338 3.818 5.207 . 0 0 "[ . 1]" 1 997 1 141 LEU MD2 1 146 ASN QB 0.000 . 7.500 4.671 3.313 5.603 . 0 0 "[ . 1]" 1 998 1 141 LEU MD1 1 146 ASN HA 0.000 . 4.800 3.238 2.233 3.885 . 0 0 "[ . 1]" 1 999 1 141 LEU MD1 1 146 ASN QB 0.000 . 7.500 3.301 1.965 4.444 . 0 0 "[ . 1]" 1 1000 1 142 PRO HA 1 143 GLU H 0.000 . 2.900 2.503 2.180 2.998 0.098 4 0 "[ . 1]" 1 1001 1 142 PRO QB 1 143 GLU H 0.000 . 6.000 2.847 1.970 3.861 . 0 0 "[ . 1]" 1 1002 1 143 GLU HA 1 144 ASP H 0.000 . 5.000 2.663 2.147 3.554 . 0 0 "[ . 1]" 1 1003 1 143 GLU HA 1 146 ASN QB 0.000 . 6.000 3.655 2.536 5.285 . 0 0 "[ . 1]" 1 1004 1 143 GLU QB 1 144 ASP QB 0.000 . 7.000 3.624 3.118 4.398 . 0 0 "[ . 1]" 1 1005 1 143 GLU QB 1 144 ASP H 0.000 . 3.900 2.358 1.742 3.564 . 0 0 "[ . 1]" 1 1006 1 143 GLU QG 1 144 ASP H 0.000 . 6.000 3.475 1.784 4.398 . 0 0 "[ . 1]" 1 1007 1 143 GLU H 1 144 ASP H 0.000 . 5.000 4.321 2.851 4.623 . 0 0 "[ . 1]" 1 1008 1 144 ASP H 1 145 GLU H 0.000 . 2.900 2.719 2.202 2.880 . 0 0 "[ . 1]" 1 1009 1 145 GLU HA 1 146 ASN H 0.000 . 5.000 2.772 2.406 3.435 . 0 0 "[ . 1]" 1 1010 1 145 GLU HA 1 151 ARG H 0.000 . 5.000 4.462 3.499 5.081 0.081 10 0 "[ . 1]" 1 1011 1 145 GLU H 1 146 ASN H 0.000 . 2.900 2.560 1.637 3.065 0.165 5 0 "[ . 1]" 1 1012 1 146 ASN HA 1 147 THR H 0.000 . 5.000 3.172 2.953 3.344 . 0 0 "[ . 1]" 1 1013 1 146 ASN H 1 147 THR H 0.000 . 5.000 2.457 1.891 3.014 . 0 0 "[ . 1]" 1 1014 1 147 THR HA 1 148 PRO QG 0.000 . 6.000 3.947 3.914 4.032 . 0 0 "[ . 1]" 1 1015 1 147 THR HB 1 148 PRO QD 0.000 . 4.300 2.375 2.154 3.663 . 0 0 "[ . 1]" 1 1016 1 147 THR HB 1 149 GLU H 0.000 . 5.000 3.177 2.557 4.721 . 0 0 "[ . 1]" 1 1017 1 147 THR MG 1 148 PRO QD 0.000 . 5.800 2.730 2.015 3.630 . 0 0 "[ . 1]" 1 1018 1 147 THR MG 1 150 LYS QE 0.000 . 5.800 3.733 3.224 4.046 . 0 0 "[ . 1]" 1 1019 1 147 THR MG 1 150 LYS H 0.000 . 6.500 3.818 1.641 4.508 . 0 0 "[ . 1]" 1 1020 1 147 THR H 1 150 LYS HA 0.000 . 5.000 5.171 5.103 5.291 0.291 5 0 "[ . 1]" 1 1021 1 147 THR H 1 150 LYS QB 0.000 . 4.500 2.197 2.058 2.374 . 0 0 "[ . 1]" 1 1022 1 147 THR H 1 150 LYS QG 0.000 . 4.500 3.522 2.936 4.017 . 0 0 "[ . 1]" 1 1023 1 147 THR H 1 150 LYS H 0.000 . 5.000 3.753 3.472 4.043 . 0 0 "[ . 1]" 1 1024 1 147 THR H 1 151 ARG QB 0.000 . 6.000 4.707 3.586 5.303 . 0 0 "[ . 1]" 1 1025 1 148 PRO HA 1 149 GLU H 0.000 . 5.000 3.544 3.483 3.568 . 0 0 "[ . 1]" 1 1026 1 148 PRO HA 1 151 ARG QB 0.000 . 4.300 2.806 2.525 3.208 . 0 0 "[ . 1]" 1 1027 1 148 PRO HA 1 151 ARG H 0.000 . 3.500 3.507 3.198 3.595 0.095 4 0 "[ . 1]" 1 1028 1 149 GLU HA 1 150 LYS H 0.000 . 5.000 3.504 3.459 3.547 . 0 0 "[ . 1]" 1 1029 1 149 GLU HA 1 152 ALA MB 0.000 . 4.800 2.381 2.165 2.685 . 0 0 "[ . 1]" 1 1030 1 149 GLU HA 1 152 ALA H 0.000 . 3.500 3.581 3.537 3.638 0.138 10 0 "[ . 1]" 1 1031 1 149 GLU H 1 150 LYS H 0.000 . 5.000 2.600 2.394 2.784 . 0 0 "[ . 1]" 1 1032 1 150 LYS HA 1 153 GLU QB 0.000 . 4.300 3.187 2.686 3.512 . 0 0 "[ . 1]" 1 1033 1 150 LYS HA 1 153 GLU H 0.000 . 3.500 3.663 3.612 3.710 0.210 4 0 "[ . 1]" 1 1034 1 150 LYS H 1 151 ARG H 0.000 . 3.500 2.539 2.252 2.750 . 0 0 "[ . 1]" 1 1035 1 151 ARG HA 1 152 ALA H 0.000 . 5.000 3.532 3.483 3.570 . 0 0 "[ . 1]" 1 1036 1 151 ARG HA 1 154 LYS QB 0.000 . 4.300 2.469 2.291 2.785 . 0 0 "[ . 1]" 1 1037 1 151 ARG HA 1 154 LYS H 0.000 . 3.500 2.918 2.681 3.078 . 0 0 "[ . 1]" 1 1038 1 151 ARG HA 1 155 ILE MD 0.000 . 6.500 5.021 4.467 5.290 . 0 0 "[ . 1]" 1 1039 1 151 ARG QB 1 152 ALA H 0.000 . 4.500 2.530 2.290 2.755 . 0 0 "[ . 1]" 1 1040 1 151 ARG QB 1 154 LYS H 0.000 . 4.500 4.221 4.137 4.432 . 0 0 "[ . 1]" 1 1041 1 151 ARG H 1 152 ALA H 0.000 . 3.500 2.505 2.333 2.705 . 0 0 "[ . 1]" 1 1042 1 152 ALA HA 1 155 ILE HB 0.000 . 3.300 3.318 3.178 3.385 0.085 6 0 "[ . 1]" 1 1043 1 152 ALA HA 1 155 ILE MD 0.000 . 4.800 2.709 2.577 2.973 . 0 0 "[ . 1]" 1 1044 1 152 ALA HA 1 155 ILE MG 0.000 . 6.500 4.712 4.621 4.771 . 0 0 "[ . 1]" 1 1045 1 152 ALA HA 1 155 ILE H 0.000 . 3.500 3.500 3.450 3.627 0.127 10 0 "[ . 1]" 1 1046 1 152 ALA MB 1 153 GLU H 0.000 . 4.400 2.708 2.610 2.850 . 0 0 "[ . 1]" 1 1047 1 152 ALA MB 1 155 ILE MD 0.000 . 6.300 3.954 3.835 4.128 . 0 0 "[ . 1]" 1 1048 1 152 ALA MB 1 155 ILE MG 0.000 . 8.000 5.405 5.326 5.536 . 0 0 "[ . 1]" 1 1049 1 152 ALA MB 1 155 ILE H 0.000 . 6.500 4.713 4.683 4.759 . 0 0 "[ . 1]" 1 1050 1 152 ALA H 1 153 GLU H 0.000 . 2.900 2.686 2.601 2.758 . 0 0 "[ . 1]" 1 1051 1 152 ALA H 1 155 ILE MD 0.000 . 6.500 4.564 4.217 4.872 . 0 0 "[ . 1]" 1 1052 1 153 GLU HA 1 154 LYS H 0.000 . 5.000 3.454 3.427 3.517 . 0 0 "[ . 1]" 1 1053 1 153 GLU HA 1 156 TRP QB 0.000 . 4.300 2.656 2.480 2.827 . 0 0 "[ . 1]" 1 1054 1 153 GLU HA 1 156 TRP HD1 0.000 . 5.000 4.403 4.032 4.821 . 0 0 "[ . 1]" 1 1055 1 153 GLU HA 1 156 TRP H 0.000 . 3.500 3.589 3.544 3.674 0.174 3 0 "[ . 1]" 1 1056 1 153 GLU QB 1 154 LYS H 0.000 . 4.500 2.951 2.787 3.024 . 0 0 "[ . 1]" 1 1057 1 153 GLU QG 1 154 LYS H 0.000 . 6.000 4.155 3.877 4.427 . 0 0 "[ . 1]" 1 1058 1 153 GLU H 1 154 LYS H 0.000 . 2.900 2.406 2.345 2.487 . 0 0 "[ . 1]" 1 1059 1 154 LYS H 1 155 ILE MD 0.000 . 6.500 4.744 4.511 4.982 . 0 0 "[ . 1]" 1 1060 1 155 ILE HA 1 158 PHE QB 0.000 . 6.000 2.491 2.174 3.003 . 0 0 "[ . 1]" 1 1061 1 155 ILE HA 1 158 PHE QD 0.000 . 7.000 3.287 2.273 4.864 . 0 0 "[ . 1]" 1 1062 1 155 ILE HA 1 158 PHE H 0.000 . 5.000 3.262 3.031 3.529 . 0 0 "[ . 1]" 1 1063 1 155 ILE HA 1 182 ILE MG 0.000 . 6.500 4.833 3.907 5.327 . 0 0 "[ . 1]" 1 1064 1 155 ILE HB 1 156 TRP H 0.000 . 3.500 2.241 1.974 2.382 . 0 0 "[ . 1]" 1 1065 1 155 ILE HB 1 158 PHE H 0.000 . 5.000 5.133 5.098 5.217 0.217 3 0 "[ . 1]" 1 1066 1 155 ILE MD 1 156 TRP H 0.000 . 6.500 3.992 3.874 4.052 . 0 0 "[ . 1]" 1 1067 1 155 ILE MD 1 186 ILE HA 0.000 . 6.500 3.720 3.216 4.240 . 0 0 "[ . 1]" 1 1068 1 155 ILE QG 1 186 ILE H 0.000 . 6.000 4.928 4.509 5.142 . 0 0 "[ . 1]" 1 1069 1 155 ILE MG 1 156 TRP HA 0.000 . 6.500 3.468 3.143 3.667 . 0 0 "[ . 1]" 1 1070 1 155 ILE MG 1 156 TRP H 0.000 . 6.500 3.320 2.821 3.528 . 0 0 "[ . 1]" 1 1071 1 155 ILE MG 1 158 PHE QD 0.000 . 8.500 4.215 3.221 5.134 . 0 0 "[ . 1]" 1 1072 1 155 ILE MG 1 159 PHE QD 0.000 . 6.800 3.477 2.695 4.761 . 0 0 "[ . 1]" 1 1073 1 155 ILE MG 1 159 PHE QE 0.000 . 8.500 2.556 2.150 4.646 . 0 0 "[ . 1]" 1 1074 1 155 ILE MG 1 182 ILE MG 0.000 . 6.300 3.685 2.420 4.213 . 0 0 "[ . 1]" 1 1075 1 155 ILE H 1 156 TRP H 0.000 . 3.500 2.588 2.412 2.874 . 0 0 "[ . 1]" 1 1076 1 155 ILE H 1 185 LEU QD 0.000 . 7.400 4.347 3.543 5.195 . 0 0 "[ . 1]" 1 1077 1 156 TRP HA 1 157 GLY H 0.000 . 5.000 3.486 3.426 3.561 . 0 0 "[ . 1]" 1 1078 1 156 TRP HA 1 159 PHE QB 0.000 . 6.000 3.834 3.234 4.638 . 0 0 "[ . 1]" 1 1079 1 156 TRP HA 1 167 LEU MD1 0.000 . 6.500 6.525 5.566 6.941 0.441 5 0 "[ . 1]" 1 1080 1 156 TRP QB 1 157 GLY H 0.000 . 6.000 2.676 2.260 2.890 . 0 0 "[ . 1]" 1 1081 1 156 TRP HH2 1 166 LYS HA 0.000 . 5.000 2.951 2.463 3.695 . 0 0 "[ . 1]" 1 1082 1 156 TRP HH2 1 167 LEU H 0.000 . 5.000 2.823 2.238 3.532 . 0 0 "[ . 1]" 1 1083 1 156 TRP HZ2 1 166 LYS HA 0.000 . 5.000 3.625 2.958 4.708 . 0 0 "[ . 1]" 1 1084 1 156 TRP HZ3 1 167 LEU MD1 0.000 . 6.500 5.363 5.150 5.460 . 0 0 "[ . 1]" 1 1085 1 156 TRP HZ3 1 167 LEU MD2 0.000 . 6.500 3.898 3.437 4.444 . 0 0 "[ . 1]" 1 1086 1 157 GLY QA 1 158 PHE H 0.000 . 4.500 2.843 2.815 2.899 . 0 0 "[ . 1]" 1 1087 1 157 GLY QA 1 160 GLY H 0.000 . 6.000 3.291 3.014 3.664 . 0 0 "[ . 1]" 1 1088 1 157 GLY H 1 158 PHE H 0.000 . 3.500 2.426 2.341 2.576 . 0 0 "[ . 1]" 1 1089 1 158 PHE HA 1 159 PHE HA 0.000 . 5.000 4.676 4.485 4.767 . 0 0 "[ . 1]" 1 1090 1 158 PHE HA 1 182 ILE MD 0.000 . 6.500 4.791 4.311 5.307 . 0 0 "[ . 1]" 1 1091 1 158 PHE HA 1 182 ILE QG 0.000 . 6.000 5.182 4.731 5.373 . 0 0 "[ . 1]" 1 1092 1 158 PHE QB 1 159 PHE H 0.000 . 6.000 2.581 2.178 3.834 . 0 0 "[ . 1]" 1 1093 1 158 PHE QB 1 182 ILE MD 0.000 . 5.800 2.929 2.484 3.400 . 0 0 "[ . 1]" 1 1094 1 158 PHE QB 1 182 ILE QG 0.000 . 7.000 3.393 2.823 3.710 . 0 0 "[ . 1]" 1 1095 1 158 PHE QD 1 159 PHE H 0.000 . 7.000 3.815 1.729 4.677 . 0 0 "[ . 1]" 1 1096 1 158 PHE QD 1 182 ILE MD 0.000 . 8.500 2.806 2.427 3.700 . 0 0 "[ . 1]" 1 1097 1 158 PHE QD 1 182 ILE MG 0.000 . 8.500 3.983 2.393 4.664 . 0 0 "[ . 1]" 1 1098 1 158 PHE H 1 159 PHE QD 0.000 . 7.000 4.565 4.055 5.391 . 0 0 "[ . 1]" 1 1099 1 158 PHE H 1 159 PHE H 0.000 . 3.500 2.777 2.578 2.961 . 0 0 "[ . 1]" 1 1100 1 159 PHE HA 1 160 GLY H 0.000 . 5.000 3.535 3.458 3.582 . 0 0 "[ . 1]" 1 1101 1 159 PHE HA 1 167 LEU MD2 0.000 . 6.500 5.159 4.673 5.864 . 0 0 "[ . 1]" 1 1102 1 159 PHE HA 1 182 ILE MD 0.000 . 6.500 4.417 3.047 5.420 . 0 0 "[ . 1]" 1 1103 1 159 PHE QB 1 160 GLY H 0.000 . 6.000 2.485 1.977 2.893 . 0 0 "[ . 1]" 1 1104 1 159 PHE QB 1 167 LEU MD1 0.000 . 5.800 3.234 3.035 3.536 . 0 0 "[ . 1]" 1 1105 1 159 PHE QB 1 167 LEU MD2 0.000 . 5.800 3.169 2.886 3.543 . 0 0 "[ . 1]" 1 1106 1 159 PHE QD 1 167 LEU MD2 0.000 . 6.800 2.934 1.956 3.377 . 0 0 "[ . 1]" 1 1107 1 159 PHE QD 1 175 GLY QA 0.000 . 8.000 2.776 2.131 3.320 . 0 0 "[ . 1]" 1 1108 1 159 PHE QD 1 175 GLY H 0.000 . 7.000 4.939 4.265 5.561 . 0 0 "[ . 1]" 1 1109 1 159 PHE QE 1 167 LEU MD1 0.000 . 8.500 4.451 3.557 5.246 . 0 0 "[ . 1]" 1 1110 1 159 PHE QE 1 176 THR H 0.000 . 7.000 4.001 3.290 4.654 . 0 0 "[ . 1]" 1 1111 1 159 PHE QE 1 182 ILE MD 0.000 . 8.500 2.803 1.914 3.223 . 0 0 "[ . 1]" 1 1112 1 159 PHE QE 1 182 ILE MG 0.000 . 8.500 3.449 2.807 4.070 . 0 0 "[ . 1]" 1 1113 1 159 PHE H 1 160 GLY H 0.000 . 2.900 2.516 2.102 2.726 . 0 0 "[ . 1]" 1 1114 1 159 PHE H 1 167 LEU MD1 0.000 . 6.500 6.118 5.626 6.538 0.038 5 0 "[ . 1]" 1 1115 1 159 PHE HZ 1 176 THR MG 0.000 . 6.500 3.167 2.273 3.863 . 0 0 "[ . 1]" 1 1116 1 159 PHE HZ 1 182 ILE MG 0.000 . 6.500 3.110 2.593 3.470 . 0 0 "[ . 1]" 1 1117 1 160 GLY QA 1 161 LYS H 0.000 . 4.500 2.401 2.173 2.884 . 0 0 "[ . 1]" 1 1118 1 160 GLY H 1 161 LYS H 0.000 . 3.500 3.037 2.437 3.678 0.178 10 0 "[ . 1]" 1 1119 1 161 LYS HA 1 162 LYS QB 0.000 . 6.000 4.294 3.963 4.594 . 0 0 "[ . 1]" 1 1120 1 161 LYS HA 1 162 LYS H 0.000 . 2.900 2.244 2.138 2.559 . 0 0 "[ . 1]" 1 1121 1 161 LYS HA 1 165 ASP HA 0.000 . 5.000 5.079 4.955 5.128 0.128 4 0 "[ . 1]" 1 1122 1 161 LYS HA 1 165 ASP QB 0.000 . 6.000 2.348 2.119 2.652 . 0 0 "[ . 1]" 1 1123 1 161 LYS QB 1 162 LYS H 0.000 . 4.500 3.325 2.129 3.773 . 0 0 "[ . 1]" 1 1124 1 161 LYS QB 1 165 ASP QB 0.000 . 7.000 2.384 1.943 3.149 . 0 0 "[ . 1]" 1 1125 1 161 LYS QD 1 165 ASP HA 0.000 . 6.000 4.368 3.498 5.413 . 0 0 "[ . 1]" 1 1126 1 161 LYS QD 1 165 ASP QB 0.000 . 7.000 2.665 1.856 3.889 . 0 0 "[ . 1]" 1 1127 1 161 LYS QD 1 167 LEU QB 0.000 . 5.300 3.579 2.771 3.999 . 0 0 "[ . 1]" 1 1128 1 161 LYS QD 1 167 LEU MD2 0.000 . 7.500 4.422 3.608 5.069 . 0 0 "[ . 1]" 1 1129 1 161 LYS QE 1 167 LEU QB 0.000 . 7.000 2.812 2.079 3.833 . 0 0 "[ . 1]" 1 1130 1 161 LYS QE 1 167 LEU MD1 0.000 . 5.200 2.113 1.882 2.683 . 0 0 "[ . 1]" 1 1131 1 161 LYS QE 1 167 LEU MD2 0.000 . 5.800 3.358 2.642 3.799 . 0 0 "[ . 1]" 1 1132 1 161 LYS QG 1 165 ASP QB 0.000 . 7.000 3.707 2.151 4.492 . 0 0 "[ . 1]" 1 1133 1 161 LYS QG 1 167 LEU MD1 0.000 . 7.500 3.393 2.583 4.369 . 0 0 "[ . 1]" 1 1134 1 161 LYS QG 1 167 LEU MD2 0.000 . 7.500 3.855 3.051 4.734 . 0 0 "[ . 1]" 1 1135 1 162 LYS QD 1 165 ASP QB 0.000 . 7.000 4.907 3.598 5.667 . 0 0 "[ . 1]" 1 1136 1 162 LYS H 1 165 ASP QB 0.000 . 6.000 2.348 1.681 3.301 . 0 0 "[ . 1]" 1 1137 1 163 ASP HA 1 164 ASP HA 0.000 . 5.000 4.567 4.451 4.678 . 0 0 "[ . 1]" 1 1138 1 163 ASP QB 1 164 ASP H 0.000 . 6.000 2.158 1.667 3.733 . 0 0 "[ . 1]" 1 1139 1 164 ASP HA 1 165 ASP HA 0.000 . 5.000 4.457 4.307 5.060 0.060 7 0 "[ . 1]" 1 1140 1 164 ASP HA 1 165 ASP H 0.000 . 2.900 2.617 2.343 3.162 0.262 7 0 "[ . 1]" 1 1141 1 164 ASP QB 1 165 ASP HA 0.000 . 6.000 4.429 3.822 4.844 . 0 0 "[ . 1]" 1 1142 1 164 ASP H 1 165 ASP H 0.000 . 3.500 3.467 3.057 3.668 0.168 7 0 "[ . 1]" 1 1143 1 165 ASP HA 1 166 LYS HA 0.000 . 5.000 4.520 4.445 4.643 . 0 0 "[ . 1]" 1 1144 1 165 ASP HA 1 166 LYS QB 0.000 . 6.000 4.686 4.527 4.858 . 0 0 "[ . 1]" 1 1145 1 165 ASP HA 1 166 LYS QD 0.000 . 6.000 4.477 2.943 5.441 . 0 0 "[ . 1]" 1 1146 1 165 ASP HA 1 166 LYS H 0.000 . 2.900 2.291 2.153 2.551 . 0 0 "[ . 1]" 1 1147 1 165 ASP QB 1 166 LYS HA 0.000 . 6.000 4.564 4.400 4.907 . 0 0 "[ . 1]" 1 1148 1 165 ASP QB 1 166 LYS H 0.000 . 4.500 3.905 3.678 4.046 . 0 0 "[ . 1]" 1 1149 1 165 ASP H 1 166 LYS H 0.000 . 3.500 3.528 2.853 3.786 0.286 10 0 "[ . 1]" 1 1150 1 166 LYS HA 1 167 LEU HA 0.000 . 5.000 4.383 4.349 4.418 . 0 0 "[ . 1]" 1 1151 1 166 LYS HA 1 167 LEU H 0.000 . 2.900 2.248 2.126 2.337 . 0 0 "[ . 1]" 1 1152 1 166 LYS QB 1 167 LEU H 0.000 . 3.900 2.910 2.480 3.381 . 0 0 "[ . 1]" 1 1153 1 166 LYS H 1 167 LEU H 0.000 . 5.000 4.597 4.489 4.655 . 0 0 "[ . 1]" 1 1154 1 167 LEU HA 1 168 THR H 0.000 . 2.900 2.142 2.078 2.272 . 0 0 "[ . 1]" 1 1155 1 167 LEU QB 1 168 THR H 0.000 . 3.900 3.685 3.540 3.797 . 0 0 "[ . 1]" 1 1156 1 167 LEU MD1 1 171 GLU HA 0.000 . 7.500 4.641 4.088 5.062 . 0 0 "[ . 1]" 1 1157 1 167 LEU MD1 1 172 PHE HA 0.000 . 6.500 2.993 2.289 3.510 . 0 0 "[ . 1]" 1 1158 1 167 LEU MD1 1 172 PHE QB 0.000 . 7.500 3.602 2.809 4.337 . 0 0 "[ . 1]" 1 1159 1 167 LEU MD1 1 172 PHE QD 0.000 . 6.800 4.155 3.868 4.424 . 0 0 "[ . 1]" 1 1160 1 167 LEU MD1 1 172 PHE QE 0.000 . 8.500 5.820 5.617 6.108 . 0 0 "[ . 1]" 1 1161 1 167 LEU MD1 1 172 PHE H 0.000 . 6.500 3.405 2.463 4.220 . 0 0 "[ . 1]" 1 1162 1 167 LEU MD2 1 168 THR H 0.000 . 5.000 4.412 4.127 4.583 . 0 0 "[ . 1]" 1 1163 1 167 LEU MD2 1 171 GLU HA 0.000 . 6.500 5.992 5.772 6.162 . 0 0 "[ . 1]" 1 1164 1 167 LEU MD2 1 171 GLU QB 0.000 . 5.800 4.118 3.835 4.302 . 0 0 "[ . 1]" 1 1165 1 167 LEU MD2 1 171 GLU H 0.000 . 6.500 6.088 5.672 6.367 . 0 0 "[ . 1]" 1 1166 1 167 LEU MD2 1 172 PHE HA 0.000 . 6.500 2.230 2.145 2.607 . 0 0 "[ . 1]" 1 1167 1 167 LEU MD2 1 172 PHE QB 0.000 . 7.500 2.823 2.535 3.274 . 0 0 "[ . 1]" 1 1168 1 167 LEU MD2 1 172 PHE H 0.000 . 6.500 4.027 3.658 4.298 . 0 0 "[ . 1]" 1 1169 1 167 LEU H 1 168 THR H 0.000 . 5.000 4.513 4.416 4.587 . 0 0 "[ . 1]" 1 1170 1 168 THR HA 1 169 GLU H 0.000 . 2.900 2.333 2.314 2.355 . 0 0 "[ . 1]" 1 1171 1 168 THR MG 1 169 GLU H 0.000 . 5.000 3.369 2.031 3.953 . 0 0 "[ . 1]" 1 1172 1 168 THR MG 1 171 GLU QG 0.000 . 7.500 3.899 3.329 4.488 . 0 0 "[ . 1]" 1 1173 1 168 THR H 1 171 GLU QB 0.000 . 4.500 2.929 2.584 3.640 . 0 0 "[ . 1]" 1 1174 1 168 THR H 1 171 GLU H 0.000 . 5.000 4.394 4.187 4.607 . 0 0 "[ . 1]" 1 1175 1 169 GLU HA 1 172 PHE QB 0.000 . 4.300 2.525 2.127 2.847 . 0 0 "[ . 1]" 1 1176 1 169 GLU HA 1 172 PHE H 0.000 . 5.000 3.792 3.327 4.119 . 0 0 "[ . 1]" 1 1177 1 169 GLU HA 1 173 ILE MD 0.000 . 6.500 4.728 4.474 5.093 . 0 0 "[ . 1]" 1 1178 1 169 GLU H 1 170 LYS H 0.000 . 3.500 2.826 2.605 3.090 . 0 0 "[ . 1]" 1 1179 1 170 LYS HA 1 173 ILE HB 0.000 . 5.000 3.663 3.428 3.949 . 0 0 "[ . 1]" 1 1180 1 170 LYS HA 1 173 ILE MD 0.000 . 6.500 2.409 2.123 2.796 . 0 0 "[ . 1]" 1 1181 1 170 LYS HA 1 173 ILE MG 0.000 . 6.500 4.836 4.525 5.083 . 0 0 "[ . 1]" 1 1182 1 170 LYS HA 1 173 ILE H 0.000 . 3.500 3.625 3.577 3.718 0.218 10 0 "[ . 1]" 1 1183 1 170 LYS QB 1 171 GLU H 0.000 . 4.500 2.226 1.818 2.529 . 0 0 "[ . 1]" 1 1184 1 170 LYS H 1 171 GLU H 0.000 . 2.900 2.921 2.834 2.998 0.098 3 0 "[ . 1]" 1 1185 1 171 GLU HA 1 172 PHE H 0.000 . 5.000 3.527 3.477 3.558 . 0 0 "[ . 1]" 1 1186 1 171 GLU HA 1 174 GLU QB 0.000 . 4.300 2.495 2.163 2.904 . 0 0 "[ . 1]" 1 1187 1 171 GLU HA 1 174 GLU H 0.000 . 3.500 2.821 2.684 2.993 . 0 0 "[ . 1]" 1 1188 1 171 GLU QB 1 172 PHE H 0.000 . 4.500 2.568 2.416 2.705 . 0 0 "[ . 1]" 1 1189 1 171 GLU QB 1 174 GLU H 0.000 . 4.500 4.212 4.172 4.273 . 0 0 "[ . 1]" 1 1190 1 171 GLU H 1 172 PHE H 0.000 . 2.900 2.775 2.639 2.910 0.010 3 0 "[ . 1]" 1 1191 1 172 PHE HA 1 173 ILE H 0.000 . 5.000 3.500 3.482 3.525 . 0 0 "[ . 1]" 1 1192 1 172 PHE HA 1 175 GLY H 0.000 . 3.500 3.496 3.270 3.663 0.163 10 0 "[ . 1]" 1 1193 1 172 PHE HA 1 176 THR MG 0.000 . 6.500 3.919 3.686 4.277 . 0 0 "[ . 1]" 1 1194 1 172 PHE QB 1 173 ILE H 0.000 . 6.000 2.664 2.551 2.801 . 0 0 "[ . 1]" 1 1195 1 172 PHE QD 1 173 ILE HA 0.000 . 7.000 3.072 2.729 3.595 . 0 0 "[ . 1]" 1 1196 1 172 PHE QD 1 173 ILE MG 0.000 . 8.500 4.290 3.935 4.621 . 0 0 "[ . 1]" 1 1197 1 172 PHE QD 1 173 ILE H 0.000 . 7.000 3.354 3.055 3.619 . 0 0 "[ . 1]" 1 1198 1 172 PHE QD 1 176 THR MG 0.000 . 6.800 3.707 3.349 4.135 . 0 0 "[ . 1]" 1 1199 1 172 PHE QE 1 176 THR MG 0.000 . 8.500 3.307 2.711 4.089 . 0 0 "[ . 1]" 1 1200 1 172 PHE QE 1 186 ILE MD 0.000 . 6.800 3.671 3.074 4.380 . 0 0 "[ . 1]" 1 1201 1 172 PHE H 1 173 ILE HB 0.000 . 5.000 5.050 4.972 5.097 0.097 1 0 "[ . 1]" 1 1202 1 172 PHE H 1 173 ILE H 0.000 . 3.500 2.754 2.700 2.824 . 0 0 "[ . 1]" 1 1203 1 173 ILE HA 1 174 GLU HA 0.000 . 5.000 4.671 4.648 4.694 . 0 0 "[ . 1]" 1 1204 1 173 ILE HA 1 174 GLU H 0.000 . 5.000 3.497 3.474 3.520 . 0 0 "[ . 1]" 1 1205 1 173 ILE HA 1 176 THR HB 0.000 . 5.000 4.800 4.446 5.055 0.055 10 0 "[ . 1]" 1 1206 1 173 ILE HA 1 176 THR H 0.000 . 3.500 3.633 3.612 3.674 0.174 3 0 "[ . 1]" 1 1207 1 173 ILE HB 1 174 GLU HA 0.000 . 5.000 4.234 4.186 4.295 . 0 0 "[ . 1]" 1 1208 1 173 ILE MD 1 174 GLU QG 0.000 . 5.800 4.162 4.119 4.204 . 0 0 "[ . 1]" 1 1209 1 173 ILE MG 1 174 GLU HA 0.000 . 4.800 3.669 3.463 3.804 . 0 0 "[ . 1]" 1 1210 1 173 ILE MG 1 174 GLU QG 0.000 . 7.500 3.687 3.426 3.881 . 0 0 "[ . 1]" 1 1211 1 173 ILE MG 1 174 GLU H 0.000 . 5.000 3.732 3.578 3.853 . 0 0 "[ . 1]" 1 1212 1 173 ILE MG 1 177 LEU QB 0.000 . 5.800 3.327 3.113 3.484 . 0 0 "[ . 1]" 1 1213 1 173 ILE H 1 174 GLU H 0.000 . 3.500 2.393 2.227 2.575 . 0 0 "[ . 1]" 1 1214 1 174 GLU HA 1 177 LEU MD2 0.000 . 6.500 3.702 3.053 4.161 . 0 0 "[ . 1]" 1 1215 1 174 GLU QB 1 175 GLY H 0.000 . 6.000 2.488 2.367 2.652 . 0 0 "[ . 1]" 1 1216 1 174 GLU QB 1 177 LEU MD1 0.000 . 7.500 5.175 3.996 5.684 . 0 0 "[ . 1]" 1 1217 1 174 GLU QB 1 177 LEU H 0.000 . 4.500 4.219 4.166 4.284 . 0 0 "[ . 1]" 1 1218 1 175 GLY QA 1 176 THR H 0.000 . 3.900 2.794 2.717 2.823 . 0 0 "[ . 1]" 1 1219 1 175 GLY QA 1 178 ALA MB 0.000 . 5.800 3.661 3.394 3.841 . 0 0 "[ . 1]" 1 1220 1 175 GLY QA 1 182 ILE MD 0.000 . 7.500 3.782 3.207 4.258 . 0 0 "[ . 1]" 1 1221 1 175 GLY H 1 176 THR H 0.000 . 3.500 2.667 2.608 2.732 . 0 0 "[ . 1]" 1 1222 1 176 THR HA 1 179 ASN H 0.000 . 5.000 4.210 3.131 4.899 . 0 0 "[ . 1]" 1 1223 1 176 THR HA 1 182 ILE HB 0.000 . 5.000 3.161 2.847 3.612 . 0 0 "[ . 1]" 1 1224 1 176 THR HA 1 182 ILE MD 0.000 . 4.800 2.493 2.092 2.886 . 0 0 "[ . 1]" 1 1225 1 176 THR HA 1 182 ILE MG 0.000 . 4.800 3.403 2.959 3.794 . 0 0 "[ . 1]" 1 1226 1 176 THR HB 1 182 ILE HB 0.000 . 5.000 4.070 2.728 5.056 0.056 3 0 "[ . 1]" 1 1227 1 176 THR HB 1 182 ILE MG 0.000 . 4.800 3.751 2.770 3.898 . 0 0 "[ . 1]" 1 1228 1 176 THR MG 1 177 LEU H 0.000 . 6.500 3.782 2.713 4.094 . 0 0 "[ . 1]" 1 1229 1 176 THR MG 1 182 ILE HB 0.000 . 6.500 3.873 3.370 4.778 . 0 0 "[ . 1]" 1 1230 1 176 THR MG 1 182 ILE MD 0.000 . 6.300 3.227 2.644 4.057 . 0 0 "[ . 1]" 1 1231 1 176 THR MG 1 182 ILE MG 0.000 . 5.700 2.704 2.330 3.921 . 0 0 "[ . 1]" 1 1232 1 176 THR H 1 177 LEU H 0.000 . 5.000 2.210 2.161 2.287 . 0 0 "[ . 1]" 1 1233 1 177 LEU HA 1 178 ALA H 0.000 . 3.500 3.527 3.463 3.559 0.059 5 0 "[ . 1]" 1 1234 1 177 LEU QB 1 178 ALA H 0.000 . 4.500 2.365 1.828 2.845 . 0 0 "[ . 1]" 1 1235 1 177 LEU QD 1 178 ALA H 0.000 . 5.900 3.341 2.611 3.956 . 0 0 "[ . 1]" 1 1236 1 177 LEU H 1 178 ALA H 0.000 . 2.900 2.640 2.454 2.850 . 0 0 "[ . 1]" 1 1237 1 178 ALA HA 1 179 ASN H 0.000 . 3.500 3.444 2.766 3.560 0.060 4 0 "[ . 1]" 1 1238 1 178 ALA MB 1 179 ASN HA 0.000 . 6.500 3.869 3.717 4.266 . 0 0 "[ . 1]" 1 1239 1 178 ALA MB 1 179 ASN QB 0.000 . 7.500 3.759 3.082 5.084 . 0 0 "[ . 1]" 1 1240 1 178 ALA MB 1 179 ASN H 0.000 . 4.400 2.247 1.772 3.664 . 0 0 "[ . 1]" 1 1241 1 179 ASN HA 1 182 ILE MD 0.000 . 6.500 4.695 2.384 5.309 . 0 0 "[ . 1]" 1 1242 1 179 ASN HA 1 182 ILE QG 0.000 . 6.000 4.810 3.247 5.071 . 0 0 "[ . 1]" 1 1243 1 179 ASN QB 1 182 ILE MD 0.000 . 7.500 2.577 2.130 3.388 . 0 0 "[ . 1]" 1 1244 1 179 ASN QB 1 182 ILE QG 0.000 . 7.000 2.737 2.202 4.024 . 0 0 "[ . 1]" 1 1245 1 179 ASN H 1 182 ILE MD 0.000 . 6.500 4.007 2.738 4.425 . 0 0 "[ . 1]" 1 1246 1 180 LYS HA 1 183 LEU H 0.000 . 5.000 4.121 3.564 5.199 0.199 3 0 "[ . 1]" 1 1247 1 181 GLU HA 1 182 ILE H 0.000 . 5.000 3.340 3.188 3.484 . 0 0 "[ . 1]" 1 1248 1 181 GLU HA 1 184 ARG H 0.000 . 5.000 3.863 3.145 4.525 . 0 0 "[ . 1]" 1 1249 1 181 GLU QB 1 182 ILE HA 0.000 . 6.000 4.004 3.854 4.190 . 0 0 "[ . 1]" 1 1250 1 181 GLU QB 1 182 ILE MD 0.000 . 7.500 4.986 4.199 5.458 . 0 0 "[ . 1]" 1 1251 1 181 GLU QB 1 182 ILE H 0.000 . 6.000 3.157 2.830 3.446 . 0 0 "[ . 1]" 1 1252 1 181 GLU H 1 182 ILE H 0.000 . 3.500 2.371 1.450 3.057 . 0 0 "[ . 1]" 1 1253 1 182 ILE HA 1 183 LEU H 0.000 . 5.000 3.530 3.398 3.572 . 0 0 "[ . 1]" 1 1254 1 182 ILE HA 1 185 LEU QB 0.000 . 4.300 2.832 2.389 3.183 . 0 0 "[ . 1]" 1 1255 1 182 ILE HA 1 185 LEU MD1 0.000 . 6.500 4.927 3.542 5.703 . 0 0 "[ . 1]" 1 1256 1 182 ILE HA 1 185 LEU H 0.000 . 3.500 3.420 3.160 3.601 0.101 3 0 "[ . 1]" 1 1257 1 182 ILE HA 1 186 ILE MG 0.000 . 6.500 4.269 3.331 5.321 . 0 0 "[ . 1]" 1 1258 1 182 ILE HB 1 183 LEU H 0.000 . 5.000 2.557 1.927 3.366 . 0 0 "[ . 1]" 1 1259 1 182 ILE MD 1 186 ILE QG 0.000 . 7.500 5.210 4.937 5.377 . 0 0 "[ . 1]" 1 1260 1 182 ILE MG 1 183 LEU H 0.000 . 6.500 2.989 2.695 3.228 . 0 0 "[ . 1]" 1 1261 1 182 ILE MG 1 186 ILE HB 0.000 . 6.500 3.162 1.995 4.805 . 0 0 "[ . 1]" 1 1262 1 182 ILE MG 1 186 ILE QG 0.000 . 7.500 3.022 2.337 3.530 . 0 0 "[ . 1]" 1 1263 1 182 ILE MG 1 186 ILE MG 0.000 . 6.300 2.497 2.066 3.195 . 0 0 "[ . 1]" 1 1264 1 182 ILE H 1 183 LEU QD 0.000 . 7.400 4.586 2.874 5.559 . 0 0 "[ . 1]" 1 1265 1 182 ILE H 1 183 LEU H 0.000 . 3.500 2.562 2.356 2.905 . 0 0 "[ . 1]" 1 1266 1 183 LEU HA 1 186 ILE HB 0.000 . 5.000 4.389 3.104 4.998 . 0 0 "[ . 1]" 1 1267 1 183 LEU HA 1 186 ILE MD 0.000 . 4.800 3.465 2.689 3.863 . 0 0 "[ . 1]" 1 1268 1 183 LEU HA 1 186 ILE H 0.000 . 5.000 3.825 3.286 4.312 . 0 0 "[ . 1]" 1 1269 1 183 LEU QB 1 184 ARG H 0.000 . 3.900 2.437 2.090 2.994 . 0 0 "[ . 1]" 1 1270 1 183 LEU QD 1 184 ARG H 0.000 . 7.400 3.154 1.522 3.912 . 0 0 "[ . 1]" 1 1271 1 183 LEU H 1 184 ARG H 0.000 . 3.500 2.946 2.577 3.502 0.002 8 0 "[ . 1]" 1 1272 1 184 ARG HA 1 187 GLN H 0.000 . 5.000 4.019 3.760 4.242 . 0 0 "[ . 1]" 1 1273 1 184 ARG H 1 185 LEU H 0.000 . 3.500 2.731 2.563 2.949 . 0 0 "[ . 1]" 1 1274 1 185 LEU H 1 186 ILE H 0.000 . 2.900 2.634 2.259 2.921 0.021 4 0 "[ . 1]" 1 1275 1 186 ILE MD 1 187 GLN QG 0.000 . 7.500 5.026 4.243 5.522 . 0 0 "[ . 1]" 1 1276 1 186 ILE MD 1 188 PHE QD 0.000 . 6.800 3.685 2.838 4.287 . 0 0 "[ . 1]" 1 1277 1 186 ILE MG 1 187 GLN QB 0.000 . 7.500 4.235 2.893 5.494 . 0 0 "[ . 1]" 1 1278 1 186 ILE H 1 187 GLN H 0.000 . 3.500 2.765 2.536 2.937 . 0 0 "[ . 1]" 1 1279 1 187 GLN HA 1 188 PHE H 0.000 . 3.500 2.329 2.129 2.938 . 0 0 "[ . 1]" 1 1280 1 187 GLN QB 1 188 PHE H 0.000 . 4.500 3.639 1.773 4.048 . 0 0 "[ . 1]" 1 1281 1 188 PHE HA 1 189 GLU H 0.000 . 5.000 2.747 2.172 3.565 . 0 0 "[ . 1]" 1 1282 1 188 PHE QB 1 189 GLU H 0.000 . 6.000 3.288 2.595 4.048 . 0 0 "[ . 1]" 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 84 _Distance_constraint_stats_list.Viol_count 105 _Distance_constraint_stats_list.Viol_total 125.730 _Distance_constraint_stats_list.Viol_max 0.613 _Distance_constraint_stats_list.Viol_rms 0.0543 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0150 _Distance_constraint_stats_list.Viol_average_violations_only 0.1197 _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 31 TRP 0.267 0.069 9 0 "[ . 1]" 1 35 PHE 0.000 0.000 . 0 "[ . 1]" 1 38 GLU 0.000 0.000 . 0 "[ . 1]" 1 44 ILE 0.000 0.000 . 0 "[ . 1]" 1 49 PHE 0.000 0.000 . 0 "[ . 1]" 1 52 ILE 0.000 0.000 . 0 "[ . 1]" 1 53 TYR 0.000 0.000 . 0 "[ . 1]" 1 56 PHE 0.000 0.000 . 0 "[ . 1]" 1 57 PHE 0.000 0.000 . 0 "[ . 1]" 1 73 PHE 0.000 0.000 . 0 "[ . 1]" 1 86 TYR 0.000 0.000 . 0 "[ . 1]" 1 89 ALA 0.000 0.000 . 0 "[ . 1]" 1 90 LEU 0.000 0.000 . 0 "[ . 1]" 2 4 GLY 0.110 0.110 7 0 "[ . 1]" 2 5 SER 1.661 0.352 9 0 "[ . 1]" 2 6 LEU 2.791 0.352 9 0 "[ . 1]" 2 7 GLU 4.069 0.613 7 2 "[ - . + 1]" 2 8 THR 0.641 0.139 10 0 "[ . 1]" 2 9 VAL 1.538 0.186 10 0 "[ . 1]" 2 10 VAL 5.276 0.613 7 2 "[ - . + 1]" 2 11 ALA 2.568 0.365 7 0 "[ . 1]" 2 12 ASN 1.858 0.263 6 0 "[ . 1]" 2 13 SER 2.089 0.263 6 0 "[ . 1]" 2 14 ALA 1.630 0.234 2 0 "[ . 1]" 2 15 PHE 0.648 0.107 7 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 35 PHE HA 2 14 ALA MB 0.000 . 5.000 4.069 3.962 4.200 . 0 0 "[ . 1]" 2 2 1 35 PHE QB 2 14 ALA MB 0.000 . 5.800 3.835 3.653 3.931 . 0 0 "[ . 1]" 2 3 1 35 PHE QD 2 14 ALA MB 0.000 . 6.400 2.393 2.169 2.680 . 0 0 "[ . 1]" 2 4 1 35 PHE QE 2 14 ALA MB 0.000 . 6.400 3.054 2.327 3.389 . 0 0 "[ . 1]" 2 5 1 35 PHE HZ 2 14 ALA MB 0.000 . 6.500 5.109 4.043 5.374 . 0 0 "[ . 1]" 2 6 1 38 GLU QB 2 14 ALA MB 0.000 . 5.800 4.209 4.103 4.343 . 0 0 "[ . 1]" 2 7 1 52 ILE HA 2 13 SER QB 0.000 . 4.300 3.185 2.526 3.815 . 0 0 "[ . 1]" 2 8 1 52 ILE HB 2 9 VAL MG1 0.000 . 6.500 5.015 4.637 5.457 . 0 0 "[ . 1]" 2 9 1 52 ILE MD 2 14 ALA MB 0.000 . 6.300 2.113 1.886 2.456 . 0 0 "[ . 1]" 2 10 1 52 ILE MG 2 14 ALA MB 0.000 . 8.000 3.805 3.140 4.289 . 0 0 "[ . 1]" 2 11 1 52 ILE MD 2 13 SER QB 0.000 . 6.800 2.990 2.423 3.897 . 0 0 "[ . 1]" 2 12 1 52 ILE MG 2 13 SER QB 0.000 . 6.800 1.943 1.815 2.090 . 0 0 "[ . 1]" 2 13 1 31 TRP HH2 2 7 GLU QG 0.000 . 6.000 3.979 3.035 4.907 . 0 0 "[ . 1]" 2 14 1 31 TRP HH2 2 11 ALA MB 0.000 . 4.400 2.304 1.980 2.570 . 0 0 "[ . 1]" 2 15 1 31 TRP HZ2 2 11 ALA MB 0.000 . 6.000 2.640 2.254 3.047 . 0 0 "[ . 1]" 2 16 1 31 TRP HZ3 2 11 ALA MB 0.000 . 4.300 3.681 3.566 3.758 . 0 0 "[ . 1]" 2 17 1 31 TRP HZ3 2 15 PHE HZ 0.000 . 5.000 4.823 3.961 5.069 0.069 9 0 "[ . 1]" 2 18 1 44 ILE MD 2 14 ALA MB 0.000 . 6.300 3.152 2.137 3.899 . 0 0 "[ . 1]" 2 19 1 44 ILE MG 2 14 ALA MB 0.000 . 6.300 4.193 4.121 4.364 . 0 0 "[ . 1]" 2 20 1 49 PHE QD 2 14 ALA MB 0.000 . 6.800 5.245 4.966 5.437 . 0 0 "[ . 1]" 2 21 1 49 PHE QE 2 10 VAL MG1 0.000 . 6.800 3.112 1.950 5.001 . 0 0 "[ . 1]" 2 22 1 49 PHE HZ 2 10 VAL MG1 0.000 . 6.500 2.869 1.999 4.598 . 0 0 "[ . 1]" 2 23 1 52 ILE MD 2 9 VAL MG1 0.000 . 8.000 4.717 4.252 5.342 . 0 0 "[ . 1]" 2 24 1 52 ILE MG 2 9 VAL MG1 0.000 . 5.900 2.727 2.402 3.605 . 0 0 "[ . 1]" 2 25 1 52 ILE MG 2 9 VAL MG2 0.000 . 6.300 4.340 3.710 4.700 . 0 0 "[ . 1]" 2 26 1 52 ILE MG 2 10 VAL MG1 0.000 . 6.300 3.028 2.425 4.190 . 0 0 "[ . 1]" 2 27 1 52 ILE MG 2 10 VAL MG2 0.000 . 6.300 2.812 2.217 3.461 . 0 0 "[ . 1]" 2 28 1 53 TYR QD 2 9 VAL MG1 0.000 . 8.500 4.073 3.576 4.258 . 0 0 "[ . 1]" 2 29 1 53 TYR QE 2 9 VAL MG1 0.000 . 6.400 3.734 3.441 4.143 . 0 0 "[ . 1]" 2 30 1 53 TYR QE 2 9 VAL MG2 0.000 . 6.800 5.299 5.082 5.489 . 0 0 "[ . 1]" 2 31 1 53 TYR QE 2 10 VAL MG1 0.000 . 6.800 3.068 2.450 3.635 . 0 0 "[ . 1]" 2 32 1 53 TYR QE 2 10 VAL MG2 0.000 . 6.800 2.004 1.906 2.313 . 0 0 "[ . 1]" 2 33 1 56 PHE QB 2 9 VAL MG1 0.000 . 5.800 2.496 1.887 3.459 . 0 0 "[ . 1]" 2 34 1 56 PHE QD 2 13 SER QB 0.000 . 6.300 3.080 2.662 3.756 . 0 0 "[ . 1]" 2 35 1 56 PHE QD 2 9 VAL MG1 0.000 . 6.400 3.413 2.438 4.394 . 0 0 "[ . 1]" 2 36 1 56 PHE QD 2 9 VAL MG2 0.000 . 6.800 2.387 2.065 3.086 . 0 0 "[ . 1]" 2 37 1 56 PHE QE 2 13 SER QB 0.000 . 6.300 2.700 2.068 3.359 . 0 0 "[ . 1]" 2 38 1 56 PHE QE 2 9 VAL MG1 0.000 . 6.800 4.426 3.351 5.295 . 0 0 "[ . 1]" 2 39 1 56 PHE QE 2 9 VAL MG2 0.000 . 6.800 3.799 3.337 4.177 . 0 0 "[ . 1]" 2 40 1 56 PHE HZ 2 13 SER QB 0.000 . 6.000 3.829 3.184 5.033 . 0 0 "[ . 1]" 2 41 1 57 PHE QD 2 9 VAL MG1 0.000 . 8.500 3.515 3.092 3.900 . 0 0 "[ . 1]" 2 42 1 57 PHE HZ 2 9 VAL MG1 0.000 . 4.800 2.311 2.079 2.795 . 0 0 "[ . 1]" 2 43 1 73 PHE HZ 2 10 VAL MG2 0.000 . 6.500 5.507 5.366 5.729 . 0 0 "[ . 1]" 2 44 1 86 TYR QD 2 14 ALA MB 0.000 . 6.400 3.955 3.476 4.372 . 0 0 "[ . 1]" 2 45 1 86 TYR QE 2 11 ALA MB 0.000 . 6.800 3.731 3.296 4.036 . 0 0 "[ . 1]" 2 46 1 86 TYR QE 2 10 VAL MG2 0.000 . 6.800 3.986 2.301 4.709 . 0 0 "[ . 1]" 2 47 1 89 ALA MB 2 10 VAL MG2 0.000 . 6.500 4.355 4.247 4.497 . 0 0 "[ . 1]" 2 48 1 90 LEU HA 2 10 VAL MG1 0.000 . 6.500 4.417 3.542 4.863 . 0 0 "[ . 1]" 2 49 1 90 LEU HA 2 10 VAL MG2 0.000 . 6.500 4.536 3.773 5.103 . 0 0 "[ . 1]" 2 50 1 90 LEU MD1 2 11 ALA MB 0.000 . 5.900 2.181 1.896 2.537 . 0 0 "[ . 1]" 2 51 1 90 LEU MD2 2 7 GLU QG 0.000 . 5.800 4.049 3.627 4.726 . 0 0 "[ . 1]" 2 52 1 90 LEU MD2 2 14 ALA MB 0.000 . 8.000 4.849 4.385 5.028 . 0 0 "[ . 1]" 2 53 1 90 LEU MD2 2 11 ALA MB 0.000 . 5.900 3.982 3.797 4.180 . 0 0 "[ . 1]" 2 54 1 90 LEU MD2 2 10 VAL MG1 0.000 . 6.300 2.015 1.728 2.763 . 0 0 "[ . 1]" 2 55 1 90 LEU MD2 2 10 VAL HB 0.000 . 4.800 2.807 2.105 4.087 . 0 0 "[ . 1]" 2 56 2 4 GLY H 2 5 SER H 0.000 . 2.500 2.378 2.264 2.610 0.110 7 0 "[ . 1]" 2 57 2 4 GLY QA 2 7 GLU H 0.000 . 6.000 3.258 2.824 3.598 . 0 0 "[ . 1]" 2 58 2 4 GLY QA 2 7 GLU QB 0.000 . 5.300 2.912 2.183 3.421 . 0 0 "[ . 1]" 2 59 2 5 SER H 2 6 LEU H 0.000 . 2.500 2.655 2.514 2.852 0.352 9 0 "[ . 1]" 2 60 2 5 SER HA 2 8 THR H 0.000 . 5.000 3.294 3.042 3.418 . 0 0 "[ . 1]" 2 61 2 5 SER HA 2 8 THR HB 0.000 . 3.300 2.551 2.156 3.142 . 0 0 "[ . 1]" 2 62 2 6 LEU H 2 7 GLU H 0.000 . 2.500 2.611 2.568 2.700 0.200 9 0 "[ . 1]" 2 63 2 6 LEU HA 2 9 VAL H 0.000 . 5.000 3.518 3.353 3.810 . 0 0 "[ . 1]" 2 64 2 6 LEU HA 2 9 VAL HB 0.000 . 3.300 2.974 2.550 3.383 0.083 7 0 "[ . 1]" 2 65 2 7 GLU H 2 8 THR H 0.000 . 2.500 2.507 2.366 2.586 0.086 7 0 "[ . 1]" 2 66 2 7 GLU HA 2 10 VAL H 0.000 . 5.000 3.618 3.403 3.795 . 0 0 "[ . 1]" 2 67 2 7 GLU HA 2 10 VAL HB 0.000 . 3.300 3.567 3.307 3.913 0.613 7 2 "[ - . + 1]" 2 68 2 8 THR H 2 9 VAL H 0.000 . 2.500 2.520 2.405 2.639 0.139 10 0 "[ . 1]" 2 69 2 8 THR HA 2 11 ALA H 0.000 . 5.000 3.856 3.660 4.099 . 0 0 "[ . 1]" 2 70 2 8 THR HA 2 11 ALA MB 0.000 . 4.800 2.952 2.685 3.369 . 0 0 "[ . 1]" 2 71 2 9 VAL H 2 10 VAL H 0.000 . 2.500 2.604 2.479 2.686 0.186 10 0 "[ . 1]" 2 72 2 9 VAL HA 2 12 ASN H 0.000 . 5.000 3.805 3.455 4.042 . 0 0 "[ . 1]" 2 73 2 9 VAL HA 2 12 ASN QB 0.000 . 4.300 3.053 2.633 3.617 . 0 0 "[ . 1]" 2 74 2 10 VAL H 2 11 ALA H 0.000 . 2.500 2.655 2.523 2.865 0.365 7 0 "[ . 1]" 2 75 2 10 VAL HA 2 13 SER H 0.000 . 5.000 3.848 3.496 4.176 . 0 0 "[ . 1]" 2 76 2 10 VAL HA 2 13 SER QB 0.000 . 4.300 3.108 2.670 3.671 . 0 0 "[ . 1]" 2 77 2 11 ALA H 2 12 ASN H 0.000 . 2.500 2.602 2.513 2.725 0.225 4 0 "[ . 1]" 2 78 2 11 ALA HA 2 14 ALA H 0.000 . 5.000 3.638 3.333 3.843 . 0 0 "[ . 1]" 2 79 2 11 ALA HA 2 14 ALA MB 0.000 . 4.400 3.237 2.905 3.415 . 0 0 "[ . 1]" 2 80 2 12 ASN H 2 13 SER H 0.000 . 2.500 2.579 2.465 2.763 0.263 6 0 "[ . 1]" 2 81 2 12 ASN HA 2 15 PHE H 0.000 . 5.000 3.558 3.359 3.752 . 0 0 "[ . 1]" 2 82 2 12 ASN HA 2 15 PHE QB 0.000 . 4.300 2.302 2.074 2.832 . 0 0 "[ . 1]" 2 83 2 13 SER H 2 14 ALA H 0.000 . 2.500 2.622 2.466 2.734 0.234 2 0 "[ . 1]" 2 84 2 14 ALA H 2 15 PHE H 0.000 . 2.500 2.516 2.308 2.607 0.107 7 0 "[ . 1]" 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 142 _Distance_constraint_stats_list.Viol_count 442 _Distance_constraint_stats_list.Viol_total 270.173 _Distance_constraint_stats_list.Viol_max 0.287 _Distance_constraint_stats_list.Viol_rms 0.0383 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0190 _Distance_constraint_stats_list.Viol_average_violations_only 0.0611 _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 9 LEU 0.098 0.082 4 0 "[ . 1]" 1 10 SER 0.000 0.000 . 0 "[ . 1]" 1 11 LYS 0.000 0.000 . 0 "[ . 1]" 1 12 GLU 0.475 0.146 8 0 "[ . 1]" 1 13 ILE 1.292 0.287 5 0 "[ . 1]" 1 14 LEU 0.000 0.000 . 0 "[ . 1]" 1 15 GLU 0.000 0.000 . 0 "[ . 1]" 1 16 GLU 0.475 0.146 8 0 "[ . 1]" 1 17 LEU 1.194 0.287 5 0 "[ . 1]" 1 26 GLU 0.720 0.105 1 0 "[ . 1]" 1 27 GLU 0.009 0.009 7 0 "[ . 1]" 1 28 LEU 0.000 0.000 . 0 "[ . 1]" 1 29 SER 0.152 0.064 6 0 "[ . 1]" 1 30 SER 0.720 0.105 1 0 "[ . 1]" 1 31 TRP 0.009 0.009 7 0 "[ . 1]" 1 32 TYR 0.113 0.052 2 0 "[ . 1]" 1 33 GLN 0.727 0.080 2 0 "[ . 1]" 1 34 SER 0.000 0.000 . 0 "[ . 1]" 1 35 PHE 0.000 0.000 . 0 "[ . 1]" 1 36 LEU 0.113 0.052 2 0 "[ . 1]" 1 37 LYS 0.575 0.080 2 0 "[ . 1]" 1 44 ILE 0.615 0.136 9 0 "[ . 1]" 1 46 ARG 0.000 0.000 . 0 "[ . 1]" 1 47 GLN 0.861 0.158 10 0 "[ . 1]" 1 48 GLU 0.587 0.128 6 0 "[ . 1]" 1 49 PHE 0.914 0.126 3 0 "[ . 1]" 1 50 GLN 0.240 0.086 4 0 "[ . 1]" 1 51 THR 1.015 0.158 10 0 "[ . 1]" 1 52 ILE 0.899 0.128 6 0 "[ . 1]" 1 53 TYR 0.914 0.126 3 0 "[ . 1]" 1 54 SER 0.240 0.086 4 0 "[ . 1]" 1 55 LYS 0.155 0.064 8 0 "[ . 1]" 1 56 PHE 0.312 0.062 9 0 "[ . 1]" 1 63 LYS 0.017 0.011 8 0 "[ . 1]" 1 64 ALA 0.097 0.063 4 0 "[ . 1]" 1 65 TYR 0.000 0.000 . 0 "[ . 1]" 1 66 ALA 1.479 0.229 2 0 "[ . 1]" 1 67 GLN 0.906 0.146 2 0 "[ . 1]" 1 68 HIS 0.270 0.115 9 0 "[ . 1]" 1 69 VAL 0.450 0.118 1 0 "[ . 1]" 1 70 PHE 1.479 0.229 2 0 "[ . 1]" 1 71 ARG 0.889 0.146 2 0 "[ . 1]" 1 72 SER 0.173 0.115 9 0 "[ . 1]" 1 73 PHE 0.450 0.118 1 0 "[ . 1]" 1 81 LEU 0.615 0.136 9 0 "[ . 1]" 1 83 PHE 0.002 0.002 6 0 "[ . 1]" 1 84 LYS 0.517 0.115 6 0 "[ . 1]" 1 85 GLU 0.149 0.059 6 0 "[ . 1]" 1 86 TYR 0.218 0.094 9 0 "[ . 1]" 1 87 VAL 0.002 0.002 6 0 "[ . 1]" 1 88 ILE 0.667 0.115 6 0 "[ . 1]" 1 89 ALA 0.436 0.062 6 0 "[ . 1]" 1 90 LEU 0.218 0.094 9 0 "[ . 1]" 1 91 HIS 0.000 0.000 . 0 "[ . 1]" 1 92 MET 0.149 0.058 2 0 "[ . 1]" 1 93 THR 0.287 0.062 6 0 "[ . 1]" 1 101 LYS 0.579 0.122 4 0 "[ . 1]" 1 102 LEU 0.144 0.085 9 0 "[ . 1]" 1 104 TRP 0.808 0.111 7 0 "[ . 1]" 1 105 ALA 0.579 0.122 4 0 "[ . 1]" 1 106 PHE 0.144 0.085 9 0 "[ . 1]" 1 108 LEU 0.808 0.111 7 0 "[ . 1]" 1 109 TYR 0.000 0.000 . 0 "[ . 1]" 1 117 ILE 0.809 0.152 1 0 "[ . 1]" 1 118 SER 0.084 0.033 3 0 "[ . 1]" 1 119 LYS 0.377 0.128 7 0 "[ . 1]" 1 121 GLU 1.076 0.162 1 0 "[ . 1]" 1 122 VAL 0.084 0.033 3 0 "[ . 1]" 1 123 LEU 0.377 0.128 7 0 "[ . 1]" 1 124 GLU 0.000 0.000 . 0 "[ . 1]" 1 125 ILE 1.076 0.162 1 0 "[ . 1]" 1 126 VAL 0.000 0.000 . 0 "[ . 1]" 1 127 THR 0.366 0.079 1 0 "[ . 1]" 1 128 ALA 0.696 0.127 8 0 "[ . 1]" 1 129 ILE 0.789 0.115 3 0 "[ . 1]" 1 130 PHE 0.000 0.000 . 0 "[ . 1]" 1 131 LYS 0.366 0.079 1 0 "[ . 1]" 1 132 MET 0.696 0.127 8 0 "[ . 1]" 1 133 ILE 0.789 0.115 3 0 "[ . 1]" 1 147 THR 0.000 0.000 . 0 "[ . 1]" 1 151 ARG 0.045 0.027 3 0 "[ . 1]" 1 152 ALA 0.075 0.068 10 0 "[ . 1]" 1 153 GLU 0.052 0.021 10 0 "[ . 1]" 1 154 LYS 0.568 0.166 10 0 "[ . 1]" 1 155 ILE 0.045 0.027 3 0 "[ . 1]" 1 156 TRP 0.914 0.168 10 0 "[ . 1]" 1 157 GLY 0.052 0.021 10 0 "[ . 1]" 1 158 PHE 0.568 0.166 10 0 "[ . 1]" 1 160 GLY 0.839 0.168 10 0 "[ . 1]" 1 167 LEU 0.809 0.152 1 0 "[ . 1]" 1 173 ILE 0.531 0.075 10 0 "[ . 1]" 1 174 GLU 0.000 0.000 . 0 "[ . 1]" 1 177 LEU 0.531 0.075 10 0 "[ . 1]" 1 178 ALA 0.000 0.000 . 0 "[ . 1]" 1 182 ILE 0.046 0.045 10 0 "[ . 1]" 1 183 LEU 0.141 0.060 1 0 "[ . 1]" 1 186 ILE 0.046 0.045 10 0 "[ . 1]" 1 187 GLN 0.141 0.060 1 0 "[ . 1]" 2 4 GLY 0.120 0.049 1 0 "[ . 1]" 2 5 SER 0.992 0.261 7 0 "[ . 1]" 2 6 LEU 1.731 0.211 9 0 "[ . 1]" 2 7 GLU 0.600 0.208 7 0 "[ . 1]" 2 8 THR 0.518 0.208 10 0 "[ . 1]" 2 9 VAL 1.204 0.261 7 0 "[ . 1]" 2 10 VAL 2.955 0.211 9 0 "[ . 1]" 2 11 ALA 1.369 0.208 7 0 "[ . 1]" 2 12 ASN 1.898 0.208 10 0 "[ . 1]" 2 13 SER 0.212 0.083 1 0 "[ . 1]" 2 14 ALA 1.224 0.163 7 0 "[ . 1]" 2 15 PHE 0.769 0.182 10 0 "[ . 1]" 2 16 ILE 1.500 0.184 8 0 "[ . 1]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 9 LEU O 1 13 ILE N 0.000 . 3.300 3.078 2.856 3.301 0.001 4 0 "[ . 1]" 3 2 1 9 LEU O 1 13 ILE H 0.000 . 2.300 2.163 1.959 2.382 0.082 4 0 "[ . 1]" 3 3 1 10 SER O 1 14 LEU N 0.000 . 3.300 2.583 2.402 2.804 . 0 0 "[ . 1]" 3 4 1 10 SER O 1 14 LEU H 0.000 . 2.300 1.640 1.452 1.862 . 0 0 "[ . 1]" 3 5 1 11 LYS O 1 15 GLU N 0.000 . 3.300 2.840 2.555 3.154 . 0 0 "[ . 1]" 3 6 1 11 LYS O 1 15 GLU H 0.000 . 2.300 1.930 1.614 2.266 . 0 0 "[ . 1]" 3 7 1 12 GLU O 1 16 GLU N 0.000 . 3.300 3.044 2.825 3.191 . 0 0 "[ . 1]" 3 8 1 12 GLU O 1 16 GLU H 0.000 . 2.300 2.323 2.117 2.446 0.146 8 0 "[ . 1]" 3 9 1 13 ILE O 1 17 LEU N 0.000 . 3.300 3.056 2.835 3.312 0.012 10 0 "[ . 1]" 3 10 1 13 ILE O 1 17 LEU H 0.000 . 2.300 2.410 2.228 2.587 0.287 5 0 "[ . 1]" 3 11 1 26 GLU O 1 30 SER N 0.000 . 3.300 3.300 3.216 3.357 0.057 1 0 "[ . 1]" 3 12 1 26 GLU O 1 30 SER H 0.000 . 2.300 2.356 2.277 2.405 0.105 1 0 "[ . 1]" 3 13 1 27 GLU O 1 31 TRP N 0.000 . 3.300 3.056 2.822 3.254 . 0 0 "[ . 1]" 3 14 1 27 GLU O 1 31 TRP H 0.000 . 2.300 2.114 1.905 2.309 0.009 7 0 "[ . 1]" 3 15 1 28 LEU O 1 32 TYR N 0.000 . 3.300 3.024 2.877 3.148 . 0 0 "[ . 1]" 3 16 1 28 LEU O 1 32 TYR H 0.000 . 2.300 2.052 1.916 2.177 . 0 0 "[ . 1]" 3 17 1 29 SER O 1 33 GLN N 0.000 . 3.300 3.170 2.945 3.296 . 0 0 "[ . 1]" 3 18 1 29 SER O 1 33 GLN H 0.000 . 2.300 2.239 2.068 2.364 0.064 6 0 "[ . 1]" 3 19 1 30 SER O 1 34 SER N 0.000 . 3.300 2.986 2.830 3.217 . 0 0 "[ . 1]" 3 20 1 30 SER O 1 34 SER H 0.000 . 2.300 2.087 1.891 2.298 . 0 0 "[ . 1]" 3 21 1 31 TRP O 1 35 PHE N 0.000 . 3.300 2.683 2.527 2.836 . 0 0 "[ . 1]" 3 22 1 31 TRP O 1 35 PHE H 0.000 . 2.300 1.744 1.550 1.905 . 0 0 "[ . 1]" 3 23 1 32 TYR O 1 36 LEU N 0.000 . 3.300 2.986 2.480 3.231 . 0 0 "[ . 1]" 3 24 1 32 TYR O 1 36 LEU H 0.000 . 2.300 2.156 1.571 2.352 0.052 2 0 "[ . 1]" 3 25 1 33 GLN O 1 37 LYS N 0.000 . 3.300 3.264 2.980 3.318 0.018 2 0 "[ . 1]" 3 26 1 33 GLN O 1 37 LYS H 0.000 . 2.300 2.323 2.009 2.380 0.080 2 0 "[ . 1]" 3 27 1 46 ARG O 1 50 GLN N 0.000 . 3.300 2.892 2.542 3.177 . 0 0 "[ . 1]" 3 28 1 46 ARG O 1 50 GLN H 0.000 . 2.300 1.932 1.553 2.244 . 0 0 "[ . 1]" 3 29 1 47 GLN O 1 51 THR N 0.000 . 3.300 3.055 2.904 3.227 . 0 0 "[ . 1]" 3 30 1 47 GLN O 1 51 THR H 0.000 . 2.300 2.386 2.305 2.458 0.158 10 0 "[ . 1]" 3 31 1 48 GLU O 1 52 ILE N 0.000 . 3.300 3.176 3.113 3.248 . 0 0 "[ . 1]" 3 32 1 48 GLU O 1 52 ILE H 0.000 . 2.300 2.357 2.284 2.428 0.128 6 0 "[ . 1]" 3 33 1 49 PHE O 1 53 TYR N 0.000 . 3.300 3.306 3.215 3.365 0.065 6 0 "[ . 1]" 3 34 1 49 PHE O 1 53 TYR H 0.000 . 2.300 2.368 2.271 2.426 0.126 3 0 "[ . 1]" 3 35 1 50 GLN O 1 54 SER N 0.000 . 3.300 2.884 2.765 3.009 . 0 0 "[ . 1]" 3 36 1 50 GLN O 1 54 SER H 0.000 . 2.300 2.230 1.939 2.386 0.086 4 0 "[ . 1]" 3 37 1 51 THR O 1 55 LYS N 0.000 . 3.300 2.850 2.748 3.004 . 0 0 "[ . 1]" 3 38 1 51 THR O 1 55 LYS H 0.000 . 2.300 2.268 2.016 2.364 0.064 8 0 "[ . 1]" 3 39 1 52 ILE O 1 56 PHE N 0.000 . 3.300 3.209 3.105 3.306 0.006 10 0 "[ . 1]" 3 40 1 52 ILE O 1 56 PHE H 0.000 . 2.300 2.330 2.292 2.362 0.062 9 0 "[ . 1]" 3 41 1 63 LYS O 1 67 GLN N 0.000 . 3.300 3.032 2.799 3.230 . 0 0 "[ . 1]" 3 42 1 63 LYS O 1 67 GLN H 0.000 . 2.300 2.103 1.846 2.311 0.011 8 0 "[ . 1]" 3 43 1 64 ALA O 1 68 HIS N 0.000 . 3.300 2.870 2.634 3.177 . 0 0 "[ . 1]" 3 44 1 64 ALA O 1 68 HIS H 0.000 . 2.300 2.111 1.850 2.363 0.063 4 0 "[ . 1]" 3 45 1 65 TYR O 1 69 VAL N 0.000 . 3.300 2.968 2.769 3.156 . 0 0 "[ . 1]" 3 46 1 65 TYR O 1 69 VAL H 0.000 . 2.300 2.026 1.861 2.214 . 0 0 "[ . 1]" 3 47 1 66 ALA O 1 70 PHE N 0.000 . 3.300 3.322 3.236 3.380 0.080 7 0 "[ . 1]" 3 48 1 66 ALA O 1 70 PHE H 0.000 . 2.300 2.415 2.347 2.529 0.229 2 0 "[ . 1]" 3 49 1 67 GLN O 1 71 ARG N 0.000 . 3.300 3.295 3.149 3.390 0.090 2 0 "[ . 1]" 3 50 1 67 GLN O 1 71 ARG H 0.000 . 2.300 2.345 2.179 2.446 0.146 2 0 "[ . 1]" 3 51 1 68 HIS O 1 72 SER N 0.000 . 3.300 2.944 2.755 3.069 . 0 0 "[ . 1]" 3 52 1 68 HIS O 1 72 SER H 0.000 . 2.300 2.216 1.891 2.415 0.115 9 0 "[ . 1]" 3 53 1 69 VAL O 1 73 PHE N 0.000 . 3.300 3.167 3.056 3.310 0.010 1 0 "[ . 1]" 3 54 1 69 VAL O 1 73 PHE H 0.000 . 2.300 2.321 2.086 2.418 0.118 1 0 "[ . 1]" 3 55 1 83 PHE O 1 87 VAL N 0.000 . 3.300 3.048 2.757 3.188 . 0 0 "[ . 1]" 3 56 1 83 PHE O 1 87 VAL H 0.000 . 2.300 2.155 1.849 2.302 0.002 6 0 "[ . 1]" 3 57 1 84 LYS O 1 88 ILE N 0.000 . 3.300 3.264 3.135 3.383 0.083 6 0 "[ . 1]" 3 58 1 84 LYS O 1 88 ILE H 0.000 . 2.300 2.323 2.162 2.415 0.115 6 0 "[ . 1]" 3 59 1 85 GLU O 1 89 ALA N 0.000 . 3.300 3.152 3.052 3.254 . 0 0 "[ . 1]" 3 60 1 85 GLU O 1 89 ALA H 0.000 . 2.300 2.266 2.116 2.359 0.059 6 0 "[ . 1]" 3 61 1 86 TYR O 1 90 LEU N 0.000 . 3.300 3.141 2.972 3.362 0.062 9 0 "[ . 1]" 3 62 1 86 TYR O 1 90 LEU H 0.000 . 2.300 2.190 2.004 2.394 0.094 9 0 "[ . 1]" 3 63 1 87 VAL O 1 91 HIS N 0.000 . 3.300 2.728 2.477 3.066 . 0 0 "[ . 1]" 3 64 1 87 VAL O 1 91 HIS H 0.000 . 2.300 1.923 1.587 2.273 . 0 0 "[ . 1]" 3 65 1 88 ILE O 1 92 MET N 0.000 . 3.300 3.066 2.853 3.323 0.023 2 0 "[ . 1]" 3 66 1 88 ILE O 1 92 MET H 0.000 . 2.300 2.229 1.956 2.358 0.058 2 0 "[ . 1]" 3 67 1 89 ALA O 1 93 THR N 0.000 . 3.300 3.187 2.907 3.316 0.016 7 0 "[ . 1]" 3 68 1 89 ALA O 1 93 THR H 0.000 . 2.300 2.250 1.957 2.362 0.062 6 0 "[ . 1]" 3 69 1 101 LYS O 1 105 ALA N 0.000 . 3.300 3.207 2.882 3.334 0.034 4 0 "[ . 1]" 3 70 1 101 LYS O 1 105 ALA H 0.000 . 2.300 2.319 1.967 2.422 0.122 4 0 "[ . 1]" 3 71 1 102 LEU O 1 106 PHE N 0.000 . 3.300 3.041 2.807 3.288 . 0 0 "[ . 1]" 3 72 1 102 LEU O 1 106 PHE H 0.000 . 2.300 2.148 1.883 2.385 0.085 9 0 "[ . 1]" 3 73 1 104 TRP O 1 108 LEU N 0.000 . 3.300 3.319 3.293 3.355 0.055 3 0 "[ . 1]" 3 74 1 104 TRP O 1 108 LEU H 0.000 . 2.300 2.361 2.316 2.411 0.111 7 0 "[ . 1]" 3 75 1 105 ALA O 1 109 TYR N 0.000 . 3.300 3.000 2.662 3.264 . 0 0 "[ . 1]" 3 76 1 105 ALA O 1 109 TYR H 0.000 . 2.300 2.057 1.735 2.292 . 0 0 "[ . 1]" 3 77 1 44 ILE O 1 81 LEU N 0.000 . 3.300 3.219 3.054 3.351 0.051 9 0 "[ . 1]" 3 78 1 44 ILE O 1 81 LEU H 0.000 . 2.300 2.341 2.237 2.436 0.136 9 0 "[ . 1]" 3 79 1 117 ILE O 1 167 LEU N 0.000 . 3.300 3.262 3.150 3.346 0.046 7 0 "[ . 1]" 3 80 1 117 ILE O 1 167 LEU H 0.000 . 2.300 2.361 2.227 2.452 0.152 1 0 "[ . 1]" 3 81 1 118 SER O 1 122 VAL N 0.000 . 3.300 3.193 3.011 3.269 . 0 0 "[ . 1]" 3 82 1 118 SER O 1 122 VAL H 0.000 . 2.300 2.254 2.045 2.333 0.033 3 0 "[ . 1]" 3 83 1 119 LYS O 1 123 LEU N 0.000 . 3.300 3.196 2.950 3.323 0.023 7 0 "[ . 1]" 3 84 1 119 LYS O 1 123 LEU H 0.000 . 2.300 2.307 2.062 2.428 0.128 7 0 "[ . 1]" 3 85 1 121 GLU O 1 125 ILE N 0.000 . 3.300 3.334 3.260 3.430 0.130 1 0 "[ . 1]" 3 86 1 121 GLU O 1 125 ILE H 0.000 . 2.300 2.367 2.280 2.462 0.162 1 0 "[ . 1]" 3 87 1 122 VAL O 1 126 VAL N 0.000 . 3.300 2.653 2.436 2.878 . 0 0 "[ . 1]" 3 88 1 122 VAL O 1 126 VAL H 0.000 . 2.300 1.703 1.481 1.916 . 0 0 "[ . 1]" 3 89 1 123 LEU O 1 127 THR N 0.000 . 3.300 2.634 2.406 2.781 . 0 0 "[ . 1]" 3 90 1 123 LEU O 1 127 THR H 0.000 . 2.300 1.674 1.431 1.830 . 0 0 "[ . 1]" 3 91 1 124 GLU O 1 128 ALA N 0.000 . 3.300 2.607 2.424 2.903 . 0 0 "[ . 1]" 3 92 1 124 GLU O 1 128 ALA H 0.000 . 2.300 1.645 1.461 1.924 . 0 0 "[ . 1]" 3 93 1 125 ILE O 1 129 ILE N 0.000 . 3.300 2.830 2.546 3.195 . 0 0 "[ . 1]" 3 94 1 125 ILE O 1 129 ILE H 0.000 . 2.300 1.876 1.571 2.231 . 0 0 "[ . 1]" 3 95 1 126 VAL O 1 130 PHE N 0.000 . 3.300 2.928 2.756 3.250 . 0 0 "[ . 1]" 3 96 1 126 VAL O 1 130 PHE H 0.000 . 2.300 1.972 1.786 2.268 . 0 0 "[ . 1]" 3 97 1 127 THR O 1 131 LYS N 0.000 . 3.300 3.132 2.817 3.308 0.008 1 0 "[ . 1]" 3 98 1 127 THR O 1 131 LYS H 0.000 . 2.300 2.266 1.936 2.379 0.079 1 0 "[ . 1]" 3 99 1 128 ALA O 1 132 MET N 0.000 . 3.300 3.252 3.066 3.370 0.070 8 0 "[ . 1]" 3 100 1 128 ALA O 1 132 MET H 0.000 . 2.300 2.346 2.187 2.427 0.127 8 0 "[ . 1]" 3 101 1 129 ILE O 1 133 ILE N 0.000 . 3.300 3.160 2.851 3.318 0.018 5 0 "[ . 1]" 3 102 1 129 ILE O 1 133 ILE H 0.000 . 2.300 2.376 2.328 2.415 0.115 3 0 "[ . 1]" 3 103 1 147 THR O 1 151 ARG N 0.000 . 3.300 2.737 2.433 2.993 . 0 0 "[ . 1]" 3 104 1 147 THR O 1 151 ARG H 0.000 . 2.300 1.790 1.467 2.036 . 0 0 "[ . 1]" 3 105 1 151 ARG O 1 155 ILE N 0.000 . 3.300 3.106 2.879 3.249 . 0 0 "[ . 1]" 3 106 1 151 ARG O 1 155 ILE H 0.000 . 2.300 2.197 1.941 2.327 0.027 3 0 "[ . 1]" 3 107 1 152 ALA O 1 156 TRP N 0.000 . 3.300 3.075 2.871 3.299 . 0 0 "[ . 1]" 3 108 1 152 ALA O 1 156 TRP H 0.000 . 2.300 2.133 1.952 2.368 0.068 10 0 "[ . 1]" 3 109 1 153 GLU O 1 157 GLY N 0.000 . 3.300 2.951 2.785 3.159 . 0 0 "[ . 1]" 3 110 1 153 GLU O 1 157 GLY H 0.000 . 2.300 2.217 2.084 2.321 0.021 10 0 "[ . 1]" 3 111 1 154 LYS O 1 158 PHE N 0.000 . 3.300 3.044 2.965 3.168 . 0 0 "[ . 1]" 3 112 1 154 LYS O 1 158 PHE H 0.000 . 2.300 2.357 2.325 2.466 0.166 10 0 "[ . 1]" 3 113 1 156 TRP O 1 160 GLY N 0.000 . 3.300 3.255 3.061 3.400 0.100 10 0 "[ . 1]" 3 114 1 156 TRP O 1 160 GLY H 0.000 . 2.300 2.369 2.314 2.468 0.168 10 0 "[ . 1]" 3 115 1 117 ILE N 1 167 LEU O 0.000 . 3.300 2.899 2.525 3.228 . 0 0 "[ . 1]" 3 116 1 117 ILE H 1 167 LEU O 0.000 . 2.300 1.964 1.567 2.336 0.036 3 0 "[ . 1]" 3 117 1 173 ILE O 1 177 LEU N 0.000 . 3.300 2.989 2.853 3.050 . 0 0 "[ . 1]" 3 118 1 173 ILE O 1 177 LEU H 0.000 . 2.300 2.353 2.318 2.375 0.075 10 0 "[ . 1]" 3 119 1 174 GLU O 1 178 ALA N 0.000 . 3.300 3.080 2.884 3.232 . 0 0 "[ . 1]" 3 120 1 174 GLU O 1 178 ALA H 0.000 . 2.300 2.177 1.928 2.298 . 0 0 "[ . 1]" 3 121 1 182 ILE O 1 186 ILE N 0.000 . 3.300 2.873 2.423 3.289 . 0 0 "[ . 1]" 3 122 1 182 ILE O 1 186 ILE H 0.000 . 2.300 1.974 1.491 2.345 0.045 10 0 "[ . 1]" 3 123 1 183 LEU O 1 187 GLN N 0.000 . 3.300 2.940 2.572 3.193 . 0 0 "[ . 1]" 3 124 1 183 LEU O 1 187 GLN H 0.000 . 2.300 2.196 1.678 2.360 0.060 1 0 "[ . 1]" 3 125 2 4 GLY O 2 8 THR N 0.000 . 3.300 3.010 2.688 3.308 0.008 10 0 "[ . 1]" 3 126 2 4 GLY O 2 8 THR H 0.000 . 2.300 2.163 1.911 2.349 0.049 1 0 "[ . 1]" 3 127 2 5 SER O 2 9 VAL N 0.000 . 3.300 3.074 2.943 3.351 0.051 7 0 "[ . 1]" 3 128 2 5 SER O 2 9 VAL H 0.000 . 2.300 2.394 2.316 2.561 0.261 7 0 "[ . 1]" 3 129 2 6 LEU O 2 10 VAL N 0.000 . 3.300 3.366 3.321 3.437 0.137 9 0 "[ . 1]" 3 130 2 6 LEU O 2 10 VAL H 0.000 . 2.300 2.407 2.356 2.511 0.211 9 0 "[ . 1]" 3 131 2 7 GLU O 2 11 ALA N 0.000 . 3.300 3.131 2.838 3.399 0.099 7 0 "[ . 1]" 3 132 2 7 GLU O 2 11 ALA H 0.000 . 2.300 2.242 1.920 2.508 0.208 7 0 "[ . 1]" 3 133 2 8 THR O 2 12 ASN N 0.000 . 3.300 3.056 2.823 3.292 . 0 0 "[ . 1]" 3 134 2 8 THR O 2 12 ASN H 0.000 . 2.300 2.230 1.952 2.508 0.208 10 0 "[ . 1]" 3 135 2 9 VAL O 2 13 SER N 0.000 . 3.300 2.925 2.517 3.260 . 0 0 "[ . 1]" 3 136 2 9 VAL O 2 13 SER H 0.000 . 2.300 2.113 1.683 2.383 0.083 1 0 "[ . 1]" 3 137 2 10 VAL O 2 14 ALA N 0.000 . 3.300 3.288 2.978 3.428 0.128 2 0 "[ . 1]" 3 138 2 10 VAL O 2 14 ALA H 0.000 . 2.300 2.333 2.000 2.463 0.163 7 0 "[ . 1]" 3 139 2 11 ALA O 2 15 PHE N 0.000 . 3.300 2.957 2.334 3.280 . 0 0 "[ . 1]" 3 140 2 11 ALA O 2 15 PHE H 0.000 . 2.300 2.247 1.460 2.482 0.182 10 0 "[ . 1]" 3 141 2 12 ASN O 2 16 ILE N 0.000 . 3.300 3.324 3.099 3.469 0.169 8 0 "[ . 1]" 3 142 2 12 ASN O 2 16 ILE H 0.000 . 2.300 2.389 2.273 2.484 0.184 8 0 "[ . 1]" 3 stop_ save_
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