NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
470716 | 1ao8 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ao8 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 2376 _Distance_constraint_stats_list.Viol_count 483 _Distance_constraint_stats_list.Viol_total 70.179 _Distance_constraint_stats_list.Viol_max 0.094 _Distance_constraint_stats_list.Viol_rms 0.0011 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0069 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 2 ALA 0.036 0.015 7 0 "[ . 1 . 2 ]" 1 3 PHE 0.339 0.022 8 0 "[ . 1 . 2 ]" 1 4 LEU 0.093 0.022 3 0 "[ . 1 . 2 ]" 1 5 TRP 0.005 0.004 6 0 "[ . 1 . 2 ]" 1 6 ALA 0.000 0.000 4 0 "[ . 1 . 2 ]" 1 7 GLN 0.045 0.039 1 0 "[ . 1 . 2 ]" 1 8 ASP 0.065 0.011 21 0 "[ . 1 . 2 ]" 1 9 ARG 0.006 0.006 15 0 "[ . 1 . 2 ]" 1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 11 GLY 0.045 0.039 1 0 "[ . 1 . 2 ]" 1 12 LEU 0.029 0.007 17 0 "[ . 1 . 2 ]" 1 13 ILE 0.025 0.010 17 0 "[ . 1 . 2 ]" 1 14 GLY 0.056 0.011 1 0 "[ . 1 . 2 ]" 1 15 LYS 0.031 0.007 4 0 "[ . 1 . 2 ]" 1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 18 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 20 PRO 0.036 0.007 17 0 "[ . 1 . 2 ]" 1 21 TRP 0.042 0.010 17 0 "[ . 1 . 2 ]" 1 22 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 23 LEU 0.007 0.007 15 0 "[ . 1 . 2 ]" 1 24 PRO 0.001 0.001 20 0 "[ . 1 . 2 ]" 1 25 ASP 0.005 0.004 5 0 "[ . 1 . 2 ]" 1 26 ASP 0.062 0.009 8 0 "[ . 1 . 2 ]" 1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 28 HIS 0.006 0.004 5 0 "[ . 1 . 2 ]" 1 29 TYR 0.072 0.013 6 0 "[ . 1 . 2 ]" 1 30 PHE 0.127 0.022 3 0 "[ . 1 . 2 ]" 1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 GLN 0.044 0.021 8 0 "[ . 1 . 2 ]" 1 34 THR 0.090 0.022 3 0 "[ . 1 . 2 ]" 1 35 VAL 0.016 0.008 19 0 "[ . 1 . 2 ]" 1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 37 LYS 0.069 0.021 7 0 "[ . 1 . 2 ]" 1 38 ILE 0.046 0.018 1 0 "[ . 1 . 2 ]" 1 39 MET 0.030 0.007 1 0 "[ . 1 . 2 ]" 1 40 VAL 0.003 0.003 10 0 "[ . 1 . 2 ]" 1 41 VAL 0.001 0.001 9 0 "[ . 1 . 2 ]" 1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 43 ARG 0.024 0.007 14 0 "[ . 1 . 2 ]" 1 44 ARG 0.193 0.094 18 0 "[ . 1 . 2 ]" 1 45 THR 0.002 0.002 9 0 "[ . 1 . 2 ]" 1 46 TYR 0.050 0.024 9 0 "[ . 1 . 2 ]" 1 47 GLU 0.054 0.028 9 0 "[ . 1 . 2 ]" 1 48 SER 0.002 0.002 9 0 "[ . 1 . 2 ]" 1 49 PHE 0.198 0.025 12 0 "[ . 1 . 2 ]" 1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 51 LYS 0.144 0.011 1 0 "[ . 1 . 2 ]" 1 52 ARG 0.048 0.028 9 0 "[ . 1 . 2 ]" 1 53 PRO 0.152 0.025 12 0 "[ . 1 . 2 ]" 1 54 LEU 0.130 0.017 1 0 "[ . 1 . 2 ]" 1 55 PRO 0.073 0.011 1 0 "[ . 1 . 2 ]" 1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 57 ARG 0.027 0.019 8 0 "[ . 1 . 2 ]" 1 58 THR 0.019 0.016 1 0 "[ . 1 . 2 ]" 1 59 ASN 0.239 0.042 1 0 "[ . 1 . 2 ]" 1 60 VAL 0.034 0.018 1 0 "[ . 1 . 2 ]" 1 61 VAL 0.016 0.007 14 0 "[ . 1 . 2 ]" 1 62 LEU 0.038 0.011 9 0 "[ . 1 . 2 ]" 1 63 THR 0.080 0.017 21 0 "[ . 1 . 2 ]" 1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 65 GLN 0.070 0.017 21 0 "[ . 1 . 2 ]" 1 66 GLU 0.119 0.029 19 0 "[ . 1 . 2 ]" 1 67 ASP 0.082 0.029 19 0 "[ . 1 . 2 ]" 1 68 TYR 0.089 0.015 15 0 "[ . 1 . 2 ]" 1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 70 ALA 0.009 0.009 2 0 "[ . 1 . 2 ]" 1 71 GLN 0.014 0.008 3 0 "[ . 1 . 2 ]" 1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 73 ALA 0.014 0.008 3 0 "[ . 1 . 2 ]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 75 VAL 0.003 0.003 17 0 "[ . 1 . 2 ]" 1 76 VAL 0.053 0.011 9 0 "[ . 1 . 2 ]" 1 77 HIS 0.074 0.010 19 0 "[ . 1 . 2 ]" 1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 79 VAL 0.004 0.003 21 0 "[ . 1 . 2 ]" 1 80 ALA 0.021 0.010 1 0 "[ . 1 . 2 ]" 1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 82 VAL 0.024 0.018 20 0 "[ . 1 . 2 ]" 1 83 PHE 0.050 0.017 20 0 "[ . 1 . 2 ]" 1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 TYR 0.165 0.069 7 0 "[ . 1 . 2 ]" 1 86 ALA 0.151 0.069 7 0 "[ . 1 . 2 ]" 1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 88 GLN 0.010 0.009 1 0 "[ . 1 . 2 ]" 1 89 HIS 0.009 0.004 12 0 "[ . 1 . 2 ]" 1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 92 GLN 0.002 0.002 6 0 "[ . 1 . 2 ]" 1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 94 LEU 0.027 0.017 20 0 "[ . 1 . 2 ]" 1 95 VAL 0.025 0.007 3 0 "[ . 1 . 2 ]" 1 96 ILE 0.094 0.022 8 0 "[ . 1 . 2 ]" 1 97 ALA 0.001 0.001 9 0 "[ . 1 . 2 ]" 1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 99 GLY 0.003 0.003 2 0 "[ . 1 . 2 ]" 1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 101 GLN 0.031 0.007 4 0 "[ . 1 . 2 ]" 1 102 ILE 0.000 0.000 15 0 "[ . 1 . 2 ]" 1 103 PHE 0.032 0.013 9 0 "[ . 1 . 2 ]" 1 104 THR 0.030 0.007 4 0 "[ . 1 . 2 ]" 1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 106 PHE 0.064 0.018 20 0 "[ . 1 . 2 ]" 1 107 LYS 0.074 0.011 7 0 "[ . 1 . 2 ]" 1 108 ASP 0.038 0.011 7 0 "[ . 1 . 2 ]" 1 109 ASP 0.084 0.023 13 0 "[ . 1 . 2 ]" 1 110 VAL 0.157 0.023 13 0 "[ . 1 . 2 ]" 1 111 ASP 0.128 0.015 13 0 "[ . 1 . 2 ]" 1 112 THR 0.071 0.015 7 0 "[ . 1 . 2 ]" 1 113 LEU 0.055 0.013 11 0 "[ . 1 . 2 ]" 1 114 LEU 0.082 0.013 6 0 "[ . 1 . 2 ]" 1 115 VAL 0.006 0.003 19 0 "[ . 1 . 2 ]" 1 116 THR 0.018 0.011 13 0 "[ . 1 . 2 ]" 1 117 ARG 0.030 0.009 17 0 "[ . 1 . 2 ]" 1 118 LEU 0.042 0.011 13 0 "[ . 1 . 2 ]" 1 119 ALA 0.001 0.001 18 0 "[ . 1 . 2 ]" 1 120 GLY 0.007 0.003 5 0 "[ . 1 . 2 ]" 1 121 SER 0.010 0.006 15 0 "[ . 1 . 2 ]" 1 122 PHE 0.051 0.011 21 0 "[ . 1 . 2 ]" 1 123 GLU 0.008 0.004 17 0 "[ . 1 . 2 ]" 1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 125 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 126 THR 0.061 0.011 21 0 "[ . 1 . 2 ]" 1 127 LYS 0.017 0.011 1 0 "[ . 1 . 2 ]" 1 128 MET 0.008 0.008 21 0 "[ . 1 . 2 ]" 1 129 ILE 0.174 0.017 5 0 "[ . 1 . 2 ]" 1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 131 LEU 0.021 0.008 21 0 "[ . 1 . 2 ]" 1 132 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 133 TRP 0.049 0.012 8 0 "[ . 1 . 2 ]" 1 134 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 136 PHE 0.199 0.015 13 0 "[ . 1 . 2 ]" 1 137 THR 0.015 0.008 6 0 "[ . 1 . 2 ]" 1 138 LYS 0.027 0.012 7 0 "[ . 1 . 2 ]" 1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 140 SER 0.003 0.003 2 0 "[ . 1 . 2 ]" 1 141 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 142 ARG 0.003 0.003 8 0 "[ . 1 . 2 ]" 1 143 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 144 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 145 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 146 ASP 0.007 0.007 9 0 "[ . 1 . 2 ]" 1 147 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 148 ASN 0.014 0.014 7 0 "[ . 1 . 2 ]" 1 149 PRO 0.011 0.011 14 0 "[ . 1 . 2 ]" 1 150 ALA 0.011 0.004 13 0 "[ . 1 . 2 ]" 1 151 LEU 0.038 0.014 7 0 "[ . 1 . 2 ]" 1 152 THR 0.017 0.011 14 0 "[ . 1 . 2 ]" 1 153 HIS 0.001 0.001 13 0 "[ . 1 . 2 ]" 1 154 THR 0.014 0.009 17 0 "[ . 1 . 2 ]" 1 155 TYR 0.057 0.009 8 0 "[ . 1 . 2 ]" 1 156 GLU 0.024 0.011 5 0 "[ . 1 . 2 ]" 1 157 VAL 0.070 0.010 4 0 "[ . 1 . 2 ]" 1 158 TRP 0.116 0.013 11 0 "[ . 1 . 2 ]" 1 159 GLN 0.013 0.013 15 0 "[ . 1 . 2 ]" 1 160 LYS 0.015 0.015 9 0 "[ . 1 . 2 ]" 1 161 LYS 0.096 0.063 10 0 "[ . 1 . 2 ]" 1 162 ALA 0.016 0.016 10 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 THR MG 1 83 PHE QE 4.000 . 5.500 3.062 1.909 4.419 . 0 0 "[ . 1 . 2 ]" 1 2 1 1 THR MG 1 106 PHE QD 4.000 . 5.500 3.999 2.953 4.959 . 0 0 "[ . 1 . 2 ]" 1 3 1 3 PHE QD 1 96 ILE H 4.000 . 5.000 4.413 4.231 4.583 . 0 0 "[ . 1 . 2 ]" 1 4 1 3 PHE QD 1 96 ILE HB 3.500 . 4.000 3.459 3.342 3.578 . 0 0 "[ . 1 . 2 ]" 1 5 1 3 PHE QE 1 96 ILE HB 3.500 . 4.000 4.001 3.961 4.022 0.022 8 0 "[ . 1 . 2 ]" 1 6 1 3 PHE QD 1 96 ILE MG 4.000 . 5.500 4.110 3.931 4.302 . 0 0 "[ . 1 . 2 ]" 1 7 1 3 PHE QD 1 96 ILE QG 4.000 . 5.000 3.305 3.027 3.484 . 0 0 "[ . 1 . 2 ]" 1 8 1 3 PHE QE 1 96 ILE QG 3.000 . 3.500 2.874 2.513 3.040 . 0 0 "[ . 1 . 2 ]" 1 9 1 3 PHE QE 1 96 ILE MG 3.500 . 4.500 3.672 3.502 3.834 . 0 0 "[ . 1 . 2 ]" 1 10 1 3 PHE HA 1 103 PHE QD 4.000 . 5.000 4.268 4.038 4.571 . 0 0 "[ . 1 . 2 ]" 1 11 1 3 PHE HA 1 103 PHE QE 3.000 . 3.500 2.997 2.680 3.338 . 0 0 "[ . 1 . 2 ]" 1 12 1 3 PHE QE 1 103 PHE HA 4.000 . 5.000 3.260 2.969 3.554 . 0 0 "[ . 1 . 2 ]" 1 13 1 3 PHE QD 1 103 PHE QD 4.000 . 5.000 3.294 3.088 3.465 . 0 0 "[ . 1 . 2 ]" 1 14 1 3 PHE HZ 1 103 PHE QD 4.000 . 5.000 3.182 2.934 3.428 . 0 0 "[ . 1 . 2 ]" 1 15 1 3 PHE QE 1 103 PHE QB 4.000 . 5.000 2.291 2.001 2.536 . 0 0 "[ . 1 . 2 ]" 1 16 1 3 PHE QB 1 103 PHE QE 3.500 . 4.000 3.808 3.471 4.013 0.013 9 0 "[ . 1 . 2 ]" 1 17 1 3 PHE QE 1 106 PHE H 4.000 . 5.000 4.696 4.356 4.931 . 0 0 "[ . 1 . 2 ]" 1 18 1 3 PHE QE 1 106 PHE QD 4.000 . 5.000 4.457 4.216 4.626 . 0 0 "[ . 1 . 2 ]" 1 19 1 3 PHE QE 1 106 PHE HB3 2.500 . 3.000 2.824 2.353 3.011 0.011 14 0 "[ . 1 . 2 ]" 1 20 1 3 PHE QE 1 106 PHE HB2 2.500 . 3.000 2.861 2.561 3.008 0.008 2 0 "[ . 1 . 2 ]" 1 21 1 3 PHE QE 1 107 LYS HA 3.500 . 4.500 3.670 3.283 4.029 . 0 0 "[ . 1 . 2 ]" 1 22 1 3 PHE QE 1 107 LYS H 5.000 . 6.000 5.006 4.624 5.375 . 0 0 "[ . 1 . 2 ]" 1 23 1 3 PHE QE 1 110 VAL HB 2.500 . 3.000 2.362 2.201 2.909 . 0 0 "[ . 1 . 2 ]" 1 24 1 3 PHE QD 1 110 VAL HB 4.000 . 5.000 3.135 2.642 3.786 . 0 0 "[ . 1 . 2 ]" 1 25 1 3 PHE QD 1 110 VAL QG 3.500 . 4.500 2.029 1.870 2.392 . 0 0 "[ . 1 . 2 ]" 1 26 1 3 PHE QE 1 110 VAL QG 4.000 . 5.500 2.813 2.534 3.023 . 0 0 "[ . 1 . 2 ]" 1 27 1 3 PHE QD 1 113 LEU MD2 4.000 . 5.500 2.992 2.739 3.171 . 0 0 "[ . 1 . 2 ]" 1 28 1 3 PHE QD 1 128 MET ME 2.500 . 3.500 2.644 2.435 2.845 . 0 0 "[ . 1 . 2 ]" 1 29 1 3 PHE QE 1 128 MET ME 3.500 . 4.500 3.108 2.409 3.342 . 0 0 "[ . 1 . 2 ]" 1 30 1 3 PHE QE 1 129 ILE MD 2.500 . 3.500 3.034 2.774 3.412 . 0 0 "[ . 1 . 2 ]" 1 31 1 3 PHE QD 1 129 ILE MD 4.000 . 5.500 4.580 4.146 5.208 . 0 0 "[ . 1 . 2 ]" 1 32 1 3 PHE QE 1 129 ILE QG 3.500 . 4.000 4.002 3.933 4.017 0.017 5 0 "[ . 1 . 2 ]" 1 33 1 3 PHE QD 1 131 LEU MD1 4.000 . 5.500 3.353 2.783 4.379 . 0 0 "[ . 1 . 2 ]" 1 34 1 3 PHE QE 1 131 LEU MD2 4.000 . 5.500 3.274 2.599 3.707 . 0 0 "[ . 1 . 2 ]" 1 35 1 3 PHE QD 1 131 LEU MD2 4.000 . 5.500 3.875 3.343 4.426 . 0 0 "[ . 1 . 2 ]" 1 36 1 4 LEU MD1 1 29 TYR QE 2.500 . 3.500 2.845 2.201 3.420 . 0 0 "[ . 1 . 2 ]" 1 37 1 4 LEU MD1 1 29 TYR QD 3.500 . 4.500 3.024 2.303 3.515 . 0 0 "[ . 1 . 2 ]" 1 38 1 4 LEU MD1 1 30 PHE QD 4.000 . 5.500 4.163 3.930 4.377 . 0 0 "[ . 1 . 2 ]" 1 39 1 4 LEU MD2 1 30 PHE QD 2.500 . 3.500 2.040 1.883 2.237 . 0 0 "[ . 1 . 2 ]" 1 40 1 4 LEU HG 1 30 PHE QD 3.500 . 4.000 3.655 3.299 4.022 0.022 3 0 "[ . 1 . 2 ]" 1 41 1 4 LEU HG 1 30 PHE QE 4.000 . 5.000 4.255 3.671 4.755 . 0 0 "[ . 1 . 2 ]" 1 42 1 4 LEU MD2 1 30 PHE QE 3.500 . 4.500 2.350 2.049 2.861 . 0 0 "[ . 1 . 2 ]" 1 43 1 4 LEU QB 1 30 PHE QE 4.000 . 5.000 3.692 3.319 4.054 . 0 0 "[ . 1 . 2 ]" 1 44 1 4 LEU QB 1 30 PHE QD 4.000 . 5.000 4.343 3.904 4.612 . 0 0 "[ . 1 . 2 ]" 1 45 1 4 LEU H 1 103 PHE QE 3.500 . 4.000 2.757 2.411 3.078 . 0 0 "[ . 1 . 2 ]" 1 46 1 4 LEU QB 1 103 PHE QE 4.000 . 5.000 4.771 4.518 5.011 0.011 17 0 "[ . 1 . 2 ]" 1 47 1 5 TRP QB 1 103 PHE QE 3.500 . 4.000 3.088 2.671 3.319 . 0 0 "[ . 1 . 2 ]" 1 48 1 8 ASP HA 1 122 PHE QD 5.000 . 6.000 4.709 4.518 4.951 . 0 0 "[ . 1 . 2 ]" 1 49 1 8 ASP HB3 1 122 PHE QD 2.500 . 3.000 2.412 2.225 2.731 . 0 0 "[ . 1 . 2 ]" 1 50 1 8 ASP HB2 1 122 PHE QD 2.500 . 3.000 2.972 2.806 3.011 0.011 21 0 "[ . 1 . 2 ]" 1 51 1 8 ASP QB 1 122 PHE QE 4.000 . 5.000 3.275 2.993 3.593 . 0 0 "[ . 1 . 2 ]" 1 52 1 9 ARG H 1 122 PHE QD 4.000 . 5.000 4.898 4.797 4.956 . 0 0 "[ . 1 . 2 ]" 1 53 1 13 ILE MD 1 103 PHE QD 4.000 . 5.500 3.773 3.426 4.103 . 0 0 "[ . 1 . 2 ]" 1 54 1 13 ILE MD 1 103 PHE QE 2.500 . 3.500 3.396 3.157 3.500 0.000 16 0 "[ . 1 . 2 ]" 1 55 1 20 PRO QB 1 122 PHE QD 5.000 . 6.000 3.105 2.559 3.872 . 0 0 "[ . 1 . 2 ]" 1 56 1 21 TRP HE3 1 122 PHE QD 4.000 . 5.000 2.852 2.671 2.948 . 0 0 "[ . 1 . 2 ]" 1 57 1 21 TRP HZ3 1 122 PHE QD 4.000 . 5.000 3.149 2.737 3.512 . 0 0 "[ . 1 . 2 ]" 1 58 1 26 ASP HA 1 155 TYR QE 2.500 . 3.000 2.857 2.637 3.009 0.009 8 0 "[ . 1 . 2 ]" 1 59 1 26 ASP QB 1 155 TYR QE 3.500 . 4.000 3.919 3.667 4.006 0.006 20 0 "[ . 1 . 2 ]" 1 60 1 29 TYR QE 1 114 LEU QB 3.500 . 4.000 3.422 2.500 4.013 0.013 6 0 "[ . 1 . 2 ]" 1 61 1 29 TYR QE 1 114 LEU MD1 4.000 . 5.500 3.487 2.982 4.008 . 0 0 "[ . 1 . 2 ]" 1 62 1 29 TYR QE 1 114 LEU MD2 4.000 . 5.500 2.809 2.291 3.251 . 0 0 "[ . 1 . 2 ]" 1 63 1 29 TYR QB 1 155 TYR QE 3.500 . 4.000 2.878 2.587 3.130 . 0 0 "[ . 1 . 2 ]" 1 64 1 29 TYR QE 1 155 TYR QB 3.500 . 4.000 3.911 3.581 4.006 0.006 15 0 "[ . 1 . 2 ]" 1 65 1 29 TYR QD 1 155 TYR QD 3.500 . 4.000 3.707 3.416 3.910 . 0 0 "[ . 1 . 2 ]" 1 66 1 29 TYR QE 1 155 TYR QE 4.000 . 5.000 4.810 4.413 4.953 . 0 0 "[ . 1 . 2 ]" 1 67 1 30 PHE QE 1 39 MET ME 4.000 . 5.500 3.768 3.279 4.398 . 0 0 "[ . 1 . 2 ]" 1 68 1 30 PHE QE 1 39 MET QG 4.000 . 5.000 3.786 3.510 3.992 . 0 0 "[ . 1 . 2 ]" 1 69 1 30 PHE HZ 1 49 PHE QE 4.000 . 5.000 4.050 3.300 4.874 . 0 0 "[ . 1 . 2 ]" 1 70 1 30 PHE QD 1 54 LEU MD1 3.500 . 4.500 4.343 4.064 4.508 0.008 1 0 "[ . 1 . 2 ]" 1 71 1 30 PHE QE 1 54 LEU MD1 2.500 . 3.500 2.994 2.895 3.073 . 0 0 "[ . 1 . 2 ]" 1 72 1 30 PHE QE 1 54 LEU MD2 5.000 . 6.500 4.742 4.410 4.972 . 0 0 "[ . 1 . 2 ]" 1 73 1 30 PHE QE 1 54 LEU HG 5.000 . 6.000 5.965 5.776 6.017 0.017 1 0 "[ . 1 . 2 ]" 1 74 1 30 PHE QE 1 57 ARG QD 4.000 . 5.000 4.398 3.982 4.941 . 0 0 "[ . 1 . 2 ]" 1 75 1 30 PHE QE 1 97 ALA MB 2.500 . 3.500 2.441 1.961 2.615 . 0 0 "[ . 1 . 2 ]" 1 76 1 30 PHE QD 1 97 ALA MB 4.000 . 5.500 4.386 4.039 4.601 . 0 0 "[ . 1 . 2 ]" 1 77 1 30 PHE QE 1 97 ALA HA 4.000 . 5.000 3.714 3.032 4.071 . 0 0 "[ . 1 . 2 ]" 1 78 1 38 ILE MD 1 85 TYR QD 2.500 . 3.500 2.394 1.988 3.144 . 0 0 "[ . 1 . 2 ]" 1 79 1 38 ILE MG 1 85 TYR QD 3.500 . 4.500 2.825 2.324 3.251 . 0 0 "[ . 1 . 2 ]" 1 80 1 38 ILE QG 1 85 TYR QD 3.500 . 4.000 3.548 2.940 4.006 0.006 7 0 "[ . 1 . 2 ]" 1 81 1 38 ILE HA 1 85 TYR QE 4.000 . 5.000 4.808 4.302 5.006 0.006 17 0 "[ . 1 . 2 ]" 1 82 1 38 ILE MG 1 85 TYR QE 3.500 . 4.500 3.140 2.326 3.715 . 0 0 "[ . 1 . 2 ]" 1 83 1 38 ILE QG 1 85 TYR QE 3.500 . 4.000 2.873 2.500 3.156 . 0 0 "[ . 1 . 2 ]" 1 84 1 38 ILE MD 1 85 TYR QE 3.500 . 4.500 3.179 2.430 3.580 . 0 0 "[ . 1 . 2 ]" 1 85 1 39 MET ME 1 46 TYR QD 4.000 . 5.500 3.897 3.258 4.464 . 0 0 "[ . 1 . 2 ]" 1 86 1 39 MET ME 1 49 PHE QE 2.500 . 3.500 2.797 2.019 3.155 . 0 0 "[ . 1 . 2 ]" 1 87 1 39 MET ME 1 49 PHE QD 4.000 . 5.500 3.967 3.735 4.261 . 0 0 "[ . 1 . 2 ]" 1 88 1 40 VAL MG1 1 106 PHE QE 2.500 . 3.500 2.531 2.091 3.057 . 0 0 "[ . 1 . 2 ]" 1 89 1 40 VAL HB 1 106 PHE QE 4.000 . 5.000 4.490 4.030 4.992 . 0 0 "[ . 1 . 2 ]" 1 90 1 41 VAL MG2 1 46 TYR QD 2.500 . 3.500 2.261 2.041 2.639 . 0 0 "[ . 1 . 2 ]" 1 91 1 41 VAL MG1 1 46 TYR QD 5.000 . 6.500 4.254 3.899 4.694 . 0 0 "[ . 1 . 2 ]" 1 92 1 41 VAL MG2 1 49 PHE QD 4.000 . 5.500 3.917 3.669 4.583 . 0 0 "[ . 1 . 2 ]" 1 93 1 41 VAL MG1 1 49 PHE QE 3.500 . 4.500 2.631 2.133 3.141 . 0 0 "[ . 1 . 2 ]" 1 94 1 41 VAL MG2 1 49 PHE QE 3.000 . 4.000 2.171 1.970 3.412 . 0 0 "[ . 1 . 2 ]" 1 95 1 43 ARG QD 1 68 TYR QE 3.500 . 4.000 3.519 2.865 4.007 0.007 14 0 "[ . 1 . 2 ]" 1 96 1 43 ARG QD 1 68 TYR QD 4.000 . 5.000 3.397 2.521 4.880 . 0 0 "[ . 1 . 2 ]" 1 97 1 46 TYR QD 1 52 ARG HA 5.000 . 6.000 5.589 5.155 6.020 0.020 1 0 "[ . 1 . 2 ]" 1 98 1 46 TYR QD 1 52 ARG QG 4.000 . 5.000 4.108 3.186 4.550 . 0 0 "[ . 1 . 2 ]" 1 99 1 46 TYR QD 1 52 ARG QD 3.500 . 4.000 3.462 2.831 3.990 . 0 0 "[ . 1 . 2 ]" 1 100 1 46 TYR QD 1 59 ASN QB 4.000 . 5.000 4.206 3.505 4.768 . 0 0 "[ . 1 . 2 ]" 1 101 1 46 TYR QD 1 61 VAL MG2 3.000 . 4.000 2.868 2.320 3.081 . 0 0 "[ . 1 . 2 ]" 1 102 1 46 TYR QD 1 61 VAL MG1 4.000 . 5.500 3.633 3.351 4.083 . 0 0 "[ . 1 . 2 ]" 1 103 1 46 TYR QD 1 68 TYR QE 3.500 . 4.000 3.194 2.407 3.908 . 0 0 "[ . 1 . 2 ]" 1 104 1 46 TYR QD 1 70 ALA MB 4.000 . 5.500 4.476 3.750 4.960 . 0 0 "[ . 1 . 2 ]" 1 105 1 49 PHE QE 1 54 LEU MD1 3.500 . 4.500 3.075 1.848 3.578 . 0 0 "[ . 1 . 2 ]" 1 106 1 49 PHE QD 1 54 LEU MD1 3.500 . 4.500 2.973 2.456 3.443 . 0 0 "[ . 1 . 2 ]" 1 107 1 49 PHE QD 1 54 LEU MD2 4.000 . 5.000 3.688 3.203 4.291 . 0 0 "[ . 1 . 2 ]" 1 108 1 49 PHE QD 1 54 LEU HG 3.500 . 4.000 3.865 2.387 4.006 0.006 17 0 "[ . 1 . 2 ]" 1 109 1 58 THR MG 1 85 TYR QE 2.500 . 3.500 2.393 1.956 3.149 . 0 0 "[ . 1 . 2 ]" 1 110 1 58 THR MG 1 85 TYR QD 4.000 . 5.500 4.118 3.738 4.870 . 0 0 "[ . 1 . 2 ]" 1 111 1 60 VAL MG2 1 85 TYR QE 4.000 . 5.500 3.864 2.854 4.477 . 0 0 "[ . 1 . 2 ]" 1 112 1 60 VAL MG2 1 85 TYR QD 4.000 . 5.500 3.645 2.973 4.081 . 0 0 "[ . 1 . 2 ]" 1 113 1 61 VAL MG1 1 68 TYR QD 3.500 . 4.500 3.309 2.754 3.803 . 0 0 "[ . 1 . 2 ]" 1 114 1 61 VAL MG2 1 68 TYR QD 5.000 . 6.500 4.116 3.751 4.598 . 0 0 "[ . 1 . 2 ]" 1 115 1 61 VAL HB 1 68 TYR QD 4.000 . 5.000 4.305 3.720 4.747 . 0 0 "[ . 1 . 2 ]" 1 116 1 61 VAL MG1 1 68 TYR QE 2.500 . 3.500 3.177 2.624 3.500 . 0 0 "[ . 1 . 2 ]" 1 117 1 61 VAL MG2 1 68 TYR QE 4.000 . 5.500 3.289 2.919 3.815 . 0 0 "[ . 1 . 2 ]" 1 118 1 61 VAL HB 1 68 TYR QE 4.000 . 5.000 4.707 3.753 5.007 0.007 14 0 "[ . 1 . 2 ]" 1 119 1 62 LEU MD2 1 106 PHE QE 3.500 . 4.500 2.915 2.270 3.415 . 0 0 "[ . 1 . 2 ]" 1 120 1 63 THR MG 1 68 TYR QD 3.500 . 4.500 3.659 3.049 4.087 . 0 0 "[ . 1 . 2 ]" 1 121 1 68 TYR QD 1 75 VAL MG2 3.000 . 4.000 3.006 2.115 3.966 . 0 0 "[ . 1 . 2 ]" 1 122 1 68 TYR QD 1 75 VAL MG1 3.000 . 4.000 3.146 2.517 3.718 . 0 0 "[ . 1 . 2 ]" 1 123 1 68 TYR QE 1 75 VAL MG2 4.000 . 5.500 4.038 3.421 4.870 . 0 0 "[ . 1 . 2 ]" 1 124 1 74 VAL MG1 1 85 TYR QE 4.000 . 5.500 4.090 3.019 4.914 . 0 0 "[ . 1 . 2 ]" 1 125 1 74 VAL MG2 1 85 TYR QE 4.000 . 5.500 3.882 3.105 4.464 . 0 0 "[ . 1 . 2 ]" 1 126 1 74 VAL MG2 1 85 TYR QD 4.000 . 5.500 4.860 4.315 5.343 . 0 0 "[ . 1 . 2 ]" 1 127 1 74 VAL MG1 1 85 TYR QD 4.000 . 5.500 4.269 3.679 4.839 . 0 0 "[ . 1 . 2 ]" 1 128 1 79 VAL HA 1 106 PHE QE 3.500 . 4.000 3.858 3.440 4.003 0.003 21 0 "[ . 1 . 2 ]" 1 129 1 79 VAL QG 1 106 PHE QD 3.500 . 4.500 3.405 3.118 3.729 . 0 0 "[ . 1 . 2 ]" 1 130 1 79 VAL QG 1 106 PHE QE 2.500 . 3.500 2.311 2.069 2.803 . 0 0 "[ . 1 . 2 ]" 1 131 1 82 VAL MG1 1 106 PHE QE 3.500 . 4.500 3.184 2.865 3.486 . 0 0 "[ . 1 . 2 ]" 1 132 1 82 VAL MG2 1 106 PHE QE 4.000 . 5.500 3.740 3.412 4.017 . 0 0 "[ . 1 . 2 ]" 1 133 1 82 VAL HB 1 106 PHE QE 3.000 . 3.500 3.264 2.930 3.518 0.018 20 0 "[ . 1 . 2 ]" 1 134 1 83 PHE QE 1 94 LEU QD 3.500 . 4.500 3.052 2.872 3.270 . 0 0 "[ . 1 . 2 ]" 1 135 1 83 PHE QE 1 94 LEU HG 5.000 . 6.000 5.891 5.600 6.017 0.017 20 0 "[ . 1 . 2 ]" 1 136 1 83 PHE H 1 106 PHE QE 4.000 . 5.000 4.696 4.300 4.955 . 0 0 "[ . 1 . 2 ]" 1 137 1 83 PHE HZ 1 106 PHE QE 4.000 . 5.000 3.623 2.530 4.458 . 0 0 "[ . 1 . 2 ]" 1 138 1 83 PHE QE 1 109 ASP QB 4.000 . 5.000 3.200 2.458 3.621 . 0 0 "[ . 1 . 2 ]" 1 139 1 94 LEU QD 1 106 PHE QD 4.000 . 5.500 3.613 2.590 4.022 . 0 0 "[ . 1 . 2 ]" 1 140 1 96 ILE MG 1 103 PHE QD 3.500 . 4.500 2.065 1.959 2.447 . 0 0 "[ . 1 . 2 ]" 1 141 1 96 ILE MG 1 103 PHE QE 4.000 . 5.500 2.257 2.043 2.405 . 0 0 "[ . 1 . 2 ]" 1 142 1 96 ILE MG 1 106 PHE QD 3.500 . 4.500 2.710 2.412 3.695 . 0 0 "[ . 1 . 2 ]" 1 143 1 96 ILE MD 1 106 PHE QE 3.500 . 4.500 2.863 2.397 3.334 . 0 0 "[ . 1 . 2 ]" 1 144 1 96 ILE MD 1 106 PHE QD 3.500 . 4.500 2.320 1.950 2.848 . 0 0 "[ . 1 . 2 ]" 1 145 1 97 ALA HA 1 103 PHE QE 4.000 . 5.000 3.703 3.496 4.011 . 0 0 "[ . 1 . 2 ]" 1 146 1 98 GLY H 1 103 PHE QE 4.000 . 5.000 4.038 3.860 4.422 . 0 0 "[ . 1 . 2 ]" 1 147 1 98 GLY QA 1 103 PHE QD 4.000 . 5.000 3.134 2.964 3.397 . 0 0 "[ . 1 . 2 ]" 1 148 1 103 PHE QD 1 128 MET ME 3.500 . 4.500 3.036 2.495 3.482 . 0 0 "[ . 1 . 2 ]" 1 149 1 103 PHE QE 1 128 MET ME 4.000 . 5.500 3.392 2.871 3.739 . 0 0 "[ . 1 . 2 ]" 1 150 1 103 PHE QD 1 129 ILE MG 4.000 . 5.500 4.205 3.808 4.808 . 0 0 "[ . 1 . 2 ]" 1 151 1 110 VAL MG1 1 136 PHE QE 3.500 . 4.500 3.866 3.512 4.162 . 0 0 "[ . 1 . 2 ]" 1 152 1 110 VAL MG2 1 136 PHE QE 3.500 . 4.500 4.215 3.539 4.506 0.006 7 0 "[ . 1 . 2 ]" 1 153 1 111 ASP HA 1 136 PHE QE 3.500 . 4.000 2.985 2.791 3.258 . 0 0 "[ . 1 . 2 ]" 1 154 1 111 ASP HA 1 136 PHE QD 4.000 . 5.000 5.004 4.983 5.015 0.015 13 0 "[ . 1 . 2 ]" 1 155 1 112 THR HA 1 136 PHE QD 5.000 . 6.000 5.003 4.585 5.428 . 0 0 "[ . 1 . 2 ]" 1 156 1 112 THR HA 1 136 PHE QE 4.000 . 5.000 4.784 4.385 5.012 0.012 2 0 "[ . 1 . 2 ]" 1 157 1 113 LEU MD1 1 136 PHE QD 3.500 . 4.500 2.806 2.495 3.270 . 0 0 "[ . 1 . 2 ]" 1 158 1 113 LEU MD2 1 136 PHE QE 4.000 . 5.500 4.126 3.815 4.619 . 0 0 "[ . 1 . 2 ]" 1 159 1 113 LEU MD2 1 136 PHE QD 4.000 . 5.500 4.974 4.772 5.357 . 0 0 "[ . 1 . 2 ]" 1 160 1 113 LEU MD1 1 136 PHE QE 4.000 . 5.500 2.712 2.442 3.066 . 0 0 "[ . 1 . 2 ]" 1 161 1 113 LEU HG 1 136 PHE QD 4.000 . 5.000 4.195 3.760 4.794 . 0 0 "[ . 1 . 2 ]" 1 162 1 113 LEU HG 1 136 PHE QE 4.000 . 5.000 3.420 2.954 3.767 . 0 0 "[ . 1 . 2 ]" 1 163 1 116 THR MG 1 155 TYR QD 3.500 . 4.500 2.784 2.373 3.125 . 0 0 "[ . 1 . 2 ]" 1 164 1 116 THR MG 1 155 TYR QE 3.500 . 4.500 2.670 2.281 3.066 . 0 0 "[ . 1 . 2 ]" 1 165 1 116 THR HA 1 155 TYR QD 3.500 . 4.000 3.474 3.121 3.660 . 0 0 "[ . 1 . 2 ]" 1 166 1 116 THR HA 1 155 TYR QE 4.000 . 5.000 4.823 4.514 4.967 . 0 0 "[ . 1 . 2 ]" 1 167 1 116 THR HB 1 155 TYR QE 4.000 . 5.000 4.606 4.106 4.868 . 0 0 "[ . 1 . 2 ]" 1 168 1 122 PHE QE 1 150 ALA MB 3.500 . 4.500 3.725 3.466 4.047 . 0 0 "[ . 1 . 2 ]" 1 169 1 122 PHE QE 1 151 LEU MD2 3.500 . 4.500 4.170 3.604 4.437 . 0 0 "[ . 1 . 2 ]" 1 170 1 122 PHE QE 1 151 LEU HA 5.000 . 6.000 4.690 4.125 5.038 . 0 0 "[ . 1 . 2 ]" 1 171 1 136 PHE QD 1 158 TRP QB 3.500 . 4.000 3.342 3.009 3.741 . 0 0 "[ . 1 . 2 ]" 1 172 1 136 PHE QD 1 159 GLN H 4.000 . 5.000 3.858 3.163 4.246 . 0 0 "[ . 1 . 2 ]" 1 173 1 136 PHE QD 1 159 GLN HA 3.500 . 4.000 3.523 3.058 3.916 . 0 0 "[ . 1 . 2 ]" 1 174 1 136 PHE QE 1 159 GLN HA 4.000 . 5.000 4.380 3.947 4.896 . 0 0 "[ . 1 . 2 ]" 1 175 1 136 PHE QD 1 160 LYS H 3.500 . 4.000 3.487 2.994 3.831 . 0 0 "[ . 1 . 2 ]" 1 176 1 136 PHE QE 1 160 LYS H 3.500 . 4.000 3.664 3.179 3.987 . 0 0 "[ . 1 . 2 ]" 1 177 1 136 PHE QE 1 160 LYS HA 4.000 . 5.000 3.445 3.028 3.831 . 0 0 "[ . 1 . 2 ]" 1 178 1 136 PHE QD 1 160 LYS HA 3.500 . 4.000 2.681 2.234 3.063 . 0 0 "[ . 1 . 2 ]" 1 179 1 136 PHE QE 1 160 LYS QB 3.500 . 4.000 2.559 1.991 3.082 . 0 0 "[ . 1 . 2 ]" 1 180 1 136 PHE QD 1 161 LYS H 4.000 . 5.000 4.580 4.045 4.981 . 0 0 "[ . 1 . 2 ]" 1 181 1 142 ARG QB 1 155 TYR QD 4.000 . 5.000 2.466 2.130 3.043 . 0 0 "[ . 1 . 2 ]" 1 182 1 142 ARG QB 1 155 TYR QE 4.000 . 5.000 4.498 4.117 5.000 0.000 7 0 "[ . 1 . 2 ]" 1 183 1 142 ARG QG 1 155 TYR QD 3.500 . 4.500 3.770 2.945 4.380 . 0 0 "[ . 1 . 2 ]" 1 184 1 144 VAL QG 1 155 TYR QD 3.500 . 4.500 2.708 2.214 3.064 . 0 0 "[ . 1 . 2 ]" 1 185 1 144 VAL QG 1 155 TYR QE 2.500 . 3.500 2.250 1.949 2.785 . 0 0 "[ . 1 . 2 ]" 1 186 1 144 VAL HB 1 155 TYR QE 4.000 . 5.000 3.876 2.942 4.397 . 0 0 "[ . 1 . 2 ]" 1 187 1 144 VAL HB 1 155 TYR QD 5.000 . 6.000 4.695 4.132 5.090 . 0 0 "[ . 1 . 2 ]" 1 188 1 30 PHE QE 1 57 ARG QH 3.500 . 4.000 3.367 2.854 3.969 . 0 0 "[ . 1 . 2 ]" 1 189 1 34 THR MG 1 57 ARG QH 4.000 . 5.500 3.150 2.687 3.672 . 0 0 "[ . 1 . 2 ]" 1 190 1 117 ARG QH 1 158 TRP HE1 4.000 . 5.000 3.741 2.023 5.006 0.006 11 0 "[ . 1 . 2 ]" 1 191 1 2 ALA H 1 95 VAL QG 4.000 . 5.500 3.788 3.431 4.046 . 0 0 "[ . 1 . 2 ]" 1 192 1 4 LEU HA 1 95 VAL QG 4.000 . 5.500 4.788 4.228 5.209 . 0 0 "[ . 1 . 2 ]" 1 193 1 34 THR HB 1 95 VAL QG 4.000 . 5.000 4.887 4.414 5.007 0.007 3 0 "[ . 1 . 2 ]" 1 194 1 5 TRP HZ2 1 115 VAL QG 4.000 . 5.500 2.731 2.590 2.875 . 0 0 "[ . 1 . 2 ]" 1 195 1 5 TRP HE1 1 115 VAL QG 3.000 . 4.000 2.665 2.524 2.764 . 0 0 "[ . 1 . 2 ]" 1 196 1 5 TRP HH2 1 115 VAL QG 4.000 . 5.500 3.503 3.380 3.656 . 0 0 "[ . 1 . 2 ]" 1 197 1 5 TRP HD1 1 115 VAL QG 5.000 . 6.500 3.634 3.470 3.820 . 0 0 "[ . 1 . 2 ]" 1 198 1 5 TRP H 1 115 VAL QG 5.000 . 6.500 3.846 3.679 4.201 . 0 0 "[ . 1 . 2 ]" 1 199 1 6 ALA HA 1 115 VAL QG 4.000 . 5.500 3.254 3.023 3.744 . 0 0 "[ . 1 . 2 ]" 1 200 1 7 GLN QG 1 115 VAL QG 4.000 . 5.500 2.009 1.835 2.295 . 0 0 "[ . 1 . 2 ]" 1 201 1 7 GLN H 1 115 VAL QG 5.000 . 6.500 3.139 2.988 3.337 . 0 0 "[ . 1 . 2 ]" 1 202 1 35 VAL QG 1 56 GLU QG 4.000 . 5.500 3.337 2.001 4.294 . 0 0 "[ . 1 . 2 ]" 1 203 1 35 VAL QG 1 56 GLU HB2 3.500 . 4.500 3.457 1.933 4.208 . 0 0 "[ . 1 . 2 ]" 1 204 1 35 VAL QG 1 56 GLU HB3 3.500 . 4.500 2.495 2.051 3.070 . 0 0 "[ . 1 . 2 ]" 1 205 1 35 VAL QG 1 57 ARG QB 4.000 . 5.500 3.055 2.442 3.548 . 0 0 "[ . 1 . 2 ]" 1 206 1 35 VAL QG 1 57 ARG HE 3.500 . 4.500 3.559 2.806 4.495 . 0 0 "[ . 1 . 2 ]" 1 207 1 35 VAL QG 1 57 ARG QD 4.000 . 5.500 3.608 3.050 4.161 . 0 0 "[ . 1 . 2 ]" 1 208 1 62 LEU MD2 1 79 VAL QG 3.500 . 4.500 2.705 1.993 3.169 . 0 0 "[ . 1 . 2 ]" 1 209 1 62 LEU MD1 1 79 VAL QG 4.000 . 5.500 3.219 2.612 3.672 . 0 0 "[ . 1 . 2 ]" 1 210 1 79 VAL QG 1 105 ALA MB 3.000 . 4.000 2.454 1.949 2.973 . 0 0 "[ . 1 . 2 ]" 1 211 1 79 VAL QG 1 105 ALA HA 4.000 . 5.500 3.836 3.306 4.413 . 0 0 "[ . 1 . 2 ]" 1 212 1 79 VAL QG 1 106 PHE HA 4.000 . 5.500 4.203 3.686 4.772 . 0 0 "[ . 1 . 2 ]" 1 213 1 79 VAL QG 1 106 PHE HZ 3.500 . 4.500 3.016 2.550 3.500 . 0 0 "[ . 1 . 2 ]" 1 214 1 2 ALA HA 1 110 VAL QG 3.500 . 4.500 3.048 2.061 4.172 . 0 0 "[ . 1 . 2 ]" 1 215 1 3 PHE HA 1 110 VAL QG 4.000 . 5.500 3.930 3.618 4.282 . 0 0 "[ . 1 . 2 ]" 1 216 1 3 PHE HZ 1 110 VAL QG 4.000 . 5.500 3.563 3.239 3.993 . 0 0 "[ . 1 . 2 ]" 1 217 1 3 PHE H 1 110 VAL QG 3.000 . 4.000 2.534 2.000 3.291 . 0 0 "[ . 1 . 2 ]" 1 218 1 3 PHE QB 1 110 VAL QG 2.500 . 3.500 2.574 2.159 3.011 . 0 0 "[ . 1 . 2 ]" 1 219 1 110 VAL QG 1 131 LEU MD2 4.000 . 5.500 3.436 2.920 4.115 . 0 0 "[ . 1 . 2 ]" 1 220 1 139 VAL QG 1 158 TRP HA 4.000 . 5.500 3.657 3.049 4.085 . 0 0 "[ . 1 . 2 ]" 1 221 1 139 VAL QG 1 159 GLN QB 4.000 . 5.500 2.333 1.865 2.940 . 0 0 "[ . 1 . 2 ]" 1 222 1 139 VAL QG 1 159 GLN H 4.000 . 5.500 3.212 2.688 3.896 . 0 0 "[ . 1 . 2 ]" 1 223 1 144 VAL QG 1 153 HIS HE1 2.500 . 3.500 2.362 2.046 2.817 . 0 0 "[ . 1 . 2 ]" 1 224 1 144 VAL QG 1 154 THR HA 4.000 . 5.500 3.478 3.142 3.899 . 0 0 "[ . 1 . 2 ]" 1 225 1 112 THR MG 1 157 VAL QG 3.500 . 4.500 2.494 2.070 2.892 . 0 0 "[ . 1 . 2 ]" 1 226 1 114 LEU MD2 1 157 VAL QG 3.500 . 4.500 1.803 1.790 1.852 0.010 4 0 "[ . 1 . 2 ]" 1 227 1 115 VAL H 1 157 VAL QG 5.000 . 6.500 4.281 3.963 4.534 . 0 0 "[ . 1 . 2 ]" 1 228 1 115 VAL QG 1 133 TRP HH2 2.500 . 3.500 2.582 2.079 2.947 . 0 0 "[ . 1 . 2 ]" 1 229 1 115 VAL QG 1 133 TRP HZ3 3.500 . 4.500 3.440 2.688 3.881 . 0 0 "[ . 1 . 2 ]" 1 230 1 115 VAL QG 1 133 TRP HZ2 4.000 . 5.500 3.939 3.644 4.363 . 0 0 "[ . 1 . 2 ]" 1 231 1 115 VAL QG 1 156 GLU H 3.500 . 4.500 3.336 3.075 3.575 . 0 0 "[ . 1 . 2 ]" 1 232 1 115 VAL QG 1 156 GLU QB 2.500 . 3.500 2.176 2.009 2.455 . 0 0 "[ . 1 . 2 ]" 1 233 1 115 VAL QG 1 158 TRP HD1 2.500 . 3.500 2.663 2.417 2.853 . 0 0 "[ . 1 . 2 ]" 1 234 1 115 VAL QG 1 158 TRP HE1 3.000 . 4.000 3.003 2.701 3.312 . 0 0 "[ . 1 . 2 ]" 1 235 1 144 VAL QG 1 153 HIS HD2 4.000 . 5.500 3.299 2.860 3.740 . 0 0 "[ . 1 . 2 ]" 1 236 1 144 VAL QG 1 153 HIS H 4.000 . 5.500 4.105 3.889 4.343 . 0 0 "[ . 1 . 2 ]" 1 237 1 140 SER QB 1 157 VAL QG 2.500 . 3.500 2.305 1.923 2.774 . 0 0 "[ . 1 . 2 ]" 1 238 1 4 LEU MD2 1 95 VAL QG 3.500 . 4.500 2.755 2.190 3.305 . 0 0 "[ . 1 . 2 ]" 1 239 1 4 LEU HB2 1 95 VAL QG 3.500 . 4.500 2.911 2.353 3.414 . 0 0 "[ . 1 . 2 ]" 1 240 1 4 LEU HB3 1 95 VAL QG 3.500 . 4.500 2.846 2.325 3.276 . 0 0 "[ . 1 . 2 ]" 1 241 1 4 LEU H 1 95 VAL QG 4.000 . 5.500 4.123 3.634 4.442 . 0 0 "[ . 1 . 2 ]" 1 242 1 34 THR HA 1 95 VAL QG 3.500 . 4.500 3.261 2.961 3.434 . 0 0 "[ . 1 . 2 ]" 1 243 1 39 MET HA 1 95 VAL QG 4.000 . 5.500 3.495 3.147 3.855 . 0 0 "[ . 1 . 2 ]" 1 244 1 1 THR HA 1 94 LEU QD 4.000 . 5.500 3.042 2.723 3.617 . 0 0 "[ . 1 . 2 ]" 1 245 1 40 VAL MG2 1 94 LEU QD 3.500 . 4.500 1.990 1.797 2.384 0.003 10 0 "[ . 1 . 2 ]" 1 246 1 83 PHE HA 1 94 LEU QD 4.000 . 5.500 3.329 2.864 3.739 . 0 0 "[ . 1 . 2 ]" 1 247 1 83 PHE HZ 1 94 LEU QD 4.000 . 5.500 3.924 3.279 4.482 . 0 0 "[ . 1 . 2 ]" 1 248 1 86 ALA HA 1 94 LEU QD 4.000 . 5.500 4.011 3.677 4.688 . 0 0 "[ . 1 . 2 ]" 1 249 1 86 ALA MB 1 94 LEU QD 3.000 . 4.000 2.241 1.958 2.570 . 0 0 "[ . 1 . 2 ]" 1 250 1 39 MET ME 1 59 ASN QD 3.500 . 4.000 3.379 2.321 3.979 . 0 0 "[ . 1 . 2 ]" 1 251 1 53 PRO QB 1 59 ASN QD 3.000 . 3.500 3.134 2.580 3.523 0.023 14 0 "[ . 1 . 2 ]" 1 252 1 54 LEU H 1 59 ASN QD 3.000 . 3.500 2.693 2.095 3.144 . 0 0 "[ . 1 . 2 ]" 1 253 1 54 LEU QB 1 59 ASN QD 3.000 . 3.500 2.311 1.969 2.933 . 0 0 "[ . 1 . 2 ]" 1 254 1 33 GLN QE 1 114 LEU MD2 5.000 . 6.500 4.022 2.250 4.918 . 0 0 "[ . 1 . 2 ]" 1 255 1 38 ILE QG 1 92 GLN QE 4.000 . 5.000 3.871 2.390 5.002 0.002 6 0 "[ . 1 . 2 ]" 1 256 1 36 GLY QA 1 92 GLN QE 4.000 . 5.000 3.856 2.675 4.970 . 0 0 "[ . 1 . 2 ]" 1 257 1 1 THR MG 1 83 PHE HZ 4.000 . 5.500 3.452 2.635 4.421 . 0 0 "[ . 1 . 2 ]" 1 258 1 1 THR MG 1 106 PHE QB 4.000 . 5.500 3.492 2.031 4.820 . 0 0 "[ . 1 . 2 ]" 1 259 1 1 THR MG 1 110 VAL HA 3.500 . 4.500 3.347 1.934 4.332 . 0 0 "[ . 1 . 2 ]" 1 260 1 2 ALA MB 1 93 GLU QB 4.000 . 5.500 3.954 3.493 4.632 . 0 0 "[ . 1 . 2 ]" 1 261 1 2 ALA MB 1 112 THR MG 3.500 . 4.500 3.456 2.896 4.061 . 0 0 "[ . 1 . 2 ]" 1 262 1 2 ALA HA 1 112 THR MG 4.000 . 5.500 4.415 3.941 4.859 . 0 0 "[ . 1 . 2 ]" 1 263 1 2 ALA MB 1 113 LEU HA 5.000 . 6.500 4.979 4.092 5.584 . 0 0 "[ . 1 . 2 ]" 1 264 1 2 ALA MB 1 114 LEU HG 4.000 . 5.500 4.194 3.475 5.043 . 0 0 "[ . 1 . 2 ]" 1 265 1 2 ALA MB 1 114 LEU MD1 3.500 . 4.500 2.716 2.349 3.242 . 0 0 "[ . 1 . 2 ]" 1 266 1 3 PHE QB 1 113 LEU MD2 3.000 . 4.000 1.912 1.821 1.983 . 0 0 "[ . 1 . 2 ]" 1 267 1 3 PHE H 1 113 LEU MD2 4.000 . 5.500 3.258 2.670 3.840 . 0 0 "[ . 1 . 2 ]" 1 268 1 3 PHE HZ 1 129 ILE MD 4.000 . 5.500 4.287 4.094 4.493 . 0 0 "[ . 1 . 2 ]" 1 269 1 4 LEU MD2 1 30 PHE HA 2.500 . 3.500 2.638 2.236 2.900 . 0 0 "[ . 1 . 2 ]" 1 270 1 4 LEU MD1 1 30 PHE HA 4.000 . 5.500 4.246 4.003 4.478 . 0 0 "[ . 1 . 2 ]" 1 271 1 4 LEU MD2 1 30 PHE QB 4.000 . 5.500 3.726 3.330 4.024 . 0 0 "[ . 1 . 2 ]" 1 272 1 4 LEU MD2 1 33 GLN HA 5.000 . 6.500 4.698 4.448 4.916 . 0 0 "[ . 1 . 2 ]" 1 273 1 4 LEU MD2 1 33 GLN QG 4.000 . 5.500 3.177 2.698 3.476 . 0 0 "[ . 1 . 2 ]" 1 274 1 4 LEU MD2 1 33 GLN QB 3.000 . 4.000 2.228 1.997 2.460 . 0 0 "[ . 1 . 2 ]" 1 275 1 4 LEU MD1 1 33 GLN QB 3.500 . 4.500 3.144 2.862 3.403 . 0 0 "[ . 1 . 2 ]" 1 276 1 4 LEU MD1 1 33 GLN QG 2.500 . 3.500 2.904 2.328 3.505 0.005 11 0 "[ . 1 . 2 ]" 1 277 1 4 LEU MD2 1 34 THR MG 2.500 . 3.500 3.306 3.041 3.522 0.022 3 0 "[ . 1 . 2 ]" 1 278 1 4 LEU MD2 1 34 THR HA 5.000 . 6.500 5.289 4.928 5.571 . 0 0 "[ . 1 . 2 ]" 1 279 1 4 LEU MD2 1 34 THR H 5.000 . 6.500 5.535 5.277 5.783 . 0 0 "[ . 1 . 2 ]" 1 280 1 4 LEU MD2 1 95 VAL HB 5.000 . 6.500 5.072 4.383 5.798 . 0 0 "[ . 1 . 2 ]" 1 281 1 4 LEU MD2 1 97 ALA HA 4.000 . 5.500 4.165 3.883 4.580 . 0 0 "[ . 1 . 2 ]" 1 282 1 4 LEU MD2 1 97 ALA MB 3.500 . 4.500 3.778 3.492 4.192 . 0 0 "[ . 1 . 2 ]" 1 283 1 4 LEU HA 1 114 LEU MD1 3.500 . 4.500 3.827 3.491 4.109 . 0 0 "[ . 1 . 2 ]" 1 284 1 4 LEU MD1 1 114 LEU HB3 4.000 . 5.500 1.974 1.862 2.125 . 0 0 "[ . 1 . 2 ]" 1 285 1 4 LEU MD1 1 114 LEU HB2 4.000 . 5.500 1.888 1.837 2.196 . 0 0 "[ . 1 . 2 ]" 1 286 1 4 LEU MD2 1 114 LEU MD1 4.000 . 5.500 3.600 3.457 3.950 . 0 0 "[ . 1 . 2 ]" 1 287 1 4 LEU MD1 1 114 LEU MD1 3.500 . 4.500 1.984 1.894 2.187 . 0 0 "[ . 1 . 2 ]" 1 288 1 4 LEU MD1 1 114 LEU H 5.000 . 6.500 3.874 3.745 4.073 . 0 0 "[ . 1 . 2 ]" 1 289 1 4 LEU QB 1 114 LEU MD1 4.000 . 5.500 2.920 2.551 3.319 . 0 0 "[ . 1 . 2 ]" 1 290 1 5 TRP HE1 1 13 ILE MG 4.000 . 5.500 3.492 3.033 3.935 . 0 0 "[ . 1 . 2 ]" 1 291 1 5 TRP HD1 1 13 ILE MG 2.500 . 3.500 2.044 1.901 2.312 . 0 0 "[ . 1 . 2 ]" 1 292 1 5 TRP HD1 1 13 ILE MD 5.000 . 6.500 3.935 3.420 4.668 . 0 0 "[ . 1 . 2 ]" 1 293 1 5 TRP QB 1 13 ILE MD 4.000 . 5.500 3.855 3.429 4.362 . 0 0 "[ . 1 . 2 ]" 1 294 1 5 TRP QB 1 13 ILE MG 3.500 . 4.500 3.279 3.078 3.672 . 0 0 "[ . 1 . 2 ]" 1 295 1 5 TRP HZ2 1 113 LEU MD1 5.000 . 6.500 5.054 4.902 5.363 . 0 0 "[ . 1 . 2 ]" 1 296 1 5 TRP HZ3 1 113 LEU MD1 4.000 . 5.500 4.844 4.701 4.966 . 0 0 "[ . 1 . 2 ]" 1 297 1 5 TRP HZ3 1 113 LEU MD2 3.000 . 4.000 2.909 2.360 3.202 . 0 0 "[ . 1 . 2 ]" 1 298 1 5 TRP HH2 1 113 LEU MD2 3.500 . 4.500 2.711 2.023 3.076 . 0 0 "[ . 1 . 2 ]" 1 299 1 5 TRP HH2 1 113 LEU MD1 3.000 . 4.000 3.588 3.452 3.781 . 0 0 "[ . 1 . 2 ]" 1 300 1 5 TRP HH2 1 128 MET ME 4.000 . 5.500 4.314 3.676 5.186 . 0 0 "[ . 1 . 2 ]" 1 301 1 5 TRP HZ2 1 128 MET ME 4.000 . 5.500 3.717 2.969 4.670 . 0 0 "[ . 1 . 2 ]" 1 302 1 5 TRP HE1 1 128 MET ME 4.000 . 5.500 3.621 2.992 4.358 . 0 0 "[ . 1 . 2 ]" 1 303 1 5 TRP HE3 1 128 MET ME 4.000 . 5.500 3.756 3.347 4.559 . 0 0 "[ . 1 . 2 ]" 1 304 1 5 TRP HZ3 1 128 MET ME 5.000 . 6.500 4.351 3.929 5.027 . 0 0 "[ . 1 . 2 ]" 1 305 1 5 TRP HZ2 1 131 LEU MD1 3.500 . 4.500 3.079 2.316 3.518 . 0 0 "[ . 1 . 2 ]" 1 306 1 5 TRP HH2 1 131 LEU MD1 3.000 . 4.000 3.361 2.892 4.004 0.004 6 0 "[ . 1 . 2 ]" 1 307 1 5 TRP HZ3 1 131 LEU MD1 4.000 . 5.500 4.604 4.233 5.466 . 0 0 "[ . 1 . 2 ]" 1 308 1 6 ALA MB 1 19 LEU MD2 4.000 . 5.500 3.493 2.863 3.968 . 0 0 "[ . 1 . 2 ]" 1 309 1 6 ALA MB 1 21 TRP HE1 3.500 . 4.500 3.553 3.277 3.820 . 0 0 "[ . 1 . 2 ]" 1 310 1 6 ALA MB 1 21 TRP HZ2 2.500 . 3.500 2.614 2.154 3.123 . 0 0 "[ . 1 . 2 ]" 1 311 1 6 ALA MB 1 21 TRP HH2 4.000 . 5.500 4.271 3.601 4.880 . 0 0 "[ . 1 . 2 ]" 1 312 1 6 ALA MB 1 23 LEU MD2 5.000 . 6.500 4.304 3.769 4.835 . 0 0 "[ . 1 . 2 ]" 1 313 1 6 ALA HA 1 116 THR MG 4.000 . 5.500 4.122 3.877 4.333 . 0 0 "[ . 1 . 2 ]" 1 314 1 6 ALA MB 1 116 THR MG 4.000 . 5.500 3.398 3.093 3.570 . 0 0 "[ . 1 . 2 ]" 1 315 1 6 ALA MB 1 118 LEU MD1 3.000 . 4.000 2.860 2.571 3.240 . 0 0 "[ . 1 . 2 ]" 1 316 1 6 ALA HA 1 118 LEU MD1 4.000 . 5.500 4.097 3.788 4.884 . 0 0 "[ . 1 . 2 ]" 1 317 1 7 GLN HA 1 13 ILE MG 3.500 . 4.500 3.155 2.534 3.675 . 0 0 "[ . 1 . 2 ]" 1 318 1 7 GLN QB 1 13 ILE MG 2.500 . 3.500 2.116 1.818 2.742 . 0 0 "[ . 1 . 2 ]" 1 319 1 7 GLN H 1 118 LEU MD1 4.000 . 5.500 3.335 2.907 4.214 . 0 0 "[ . 1 . 2 ]" 1 320 1 8 ASP H 1 13 ILE MG 5.000 . 6.500 4.527 3.963 5.083 . 0 0 "[ . 1 . 2 ]" 1 321 1 8 ASP HA 1 118 LEU MD1 4.000 . 5.500 3.441 3.048 3.973 . 0 0 "[ . 1 . 2 ]" 1 322 1 8 ASP HA 1 118 LEU MD2 4.000 . 5.500 4.231 3.979 4.737 . 0 0 "[ . 1 . 2 ]" 1 323 1 12 LEU MD2 1 20 PRO QG 2.500 . 3.500 1.857 1.793 2.144 0.007 17 0 "[ . 1 . 2 ]" 1 324 1 12 LEU MD1 1 20 PRO QG 3.500 . 4.500 4.099 3.894 4.281 . 0 0 "[ . 1 . 2 ]" 1 325 1 12 LEU MD2 1 20 PRO QB 4.000 . 5.500 3.075 2.198 3.508 . 0 0 "[ . 1 . 2 ]" 1 326 1 12 LEU MD2 1 21 TRP HZ3 3.500 . 4.500 2.700 2.295 3.232 . 0 0 "[ . 1 . 2 ]" 1 327 1 12 LEU MD2 1 122 PHE H 4.000 . 5.500 4.758 4.427 5.084 . 0 0 "[ . 1 . 2 ]" 1 328 1 12 LEU MD2 1 122 PHE QB 3.000 . 4.000 2.698 2.367 2.988 . 0 0 "[ . 1 . 2 ]" 1 329 1 12 LEU MD2 1 123 GLU HA 4.000 . 5.500 3.135 2.829 3.537 . 0 0 "[ . 1 . 2 ]" 1 330 1 12 LEU MD2 1 123 GLU H 4.000 . 5.500 3.647 3.325 4.055 . 0 0 "[ . 1 . 2 ]" 1 331 1 12 LEU MD2 1 124 GLY QA 2.500 . 3.500 2.002 1.856 2.365 . 0 0 "[ . 1 . 2 ]" 1 332 1 12 LEU MD2 1 124 GLY H 4.000 . 5.500 3.009 2.726 3.365 . 0 0 "[ . 1 . 2 ]" 1 333 1 12 LEU MD1 1 124 GLY H 4.000 . 5.500 2.386 2.031 3.002 . 0 0 "[ . 1 . 2 ]" 1 334 1 12 LEU MD1 1 124 GLY QA 2.500 . 3.500 2.144 1.912 2.501 . 0 0 "[ . 1 . 2 ]" 1 335 1 12 LEU MD1 1 125 ASP HA 4.000 . 5.500 3.598 3.209 3.843 . 0 0 "[ . 1 . 2 ]" 1 336 1 12 LEU MD1 1 125 ASP H 3.000 . 4.000 2.751 2.037 3.264 . 0 0 "[ . 1 . 2 ]" 1 337 1 12 LEU MD2 1 125 ASP H 4.000 . 5.500 3.723 3.272 3.994 . 0 0 "[ . 1 . 2 ]" 1 338 1 12 LEU MD1 1 126 THR H 3.500 . 4.500 3.081 2.460 3.684 . 0 0 "[ . 1 . 2 ]" 1 339 1 12 LEU MD1 1 127 LYS HA 3.500 . 4.500 3.201 2.877 3.594 . 0 0 "[ . 1 . 2 ]" 1 340 1 12 LEU MD1 1 127 LYS QE 3.500 . 4.500 2.931 2.265 4.173 . 0 0 "[ . 1 . 2 ]" 1 341 1 12 LEU MD2 1 127 LYS QE 5.000 . 6.500 5.040 4.422 6.198 . 0 0 "[ . 1 . 2 ]" 1 342 1 13 ILE MG 1 21 TRP HH2 4.000 . 5.500 4.412 3.825 4.652 . 0 0 "[ . 1 . 2 ]" 1 343 1 13 ILE MD 1 100 ALA MB 3.000 . 4.000 2.903 2.326 3.293 . 0 0 "[ . 1 . 2 ]" 1 344 1 13 ILE MD 1 100 ALA HA 3.500 . 4.500 3.925 3.407 4.193 . 0 0 "[ . 1 . 2 ]" 1 345 1 13 ILE MD 1 126 THR MG 2.500 . 3.500 2.081 1.853 2.510 . 0 0 "[ . 1 . 2 ]" 1 346 1 13 ILE MD 1 126 THR HB 4.000 . 5.500 3.808 3.526 4.268 . 0 0 "[ . 1 . 2 ]" 1 347 1 13 ILE QG 1 126 THR MG 3.500 . 4.500 2.173 1.911 2.457 . 0 0 "[ . 1 . 2 ]" 1 348 1 13 ILE MG 1 127 LYS HA 4.000 . 5.500 3.116 2.656 3.529 . 0 0 "[ . 1 . 2 ]" 1 349 1 13 ILE MG 1 128 MET QB 3.500 . 4.500 1.924 1.869 2.041 . 0 0 "[ . 1 . 2 ]" 1 350 1 13 ILE MD 1 128 MET HA 3.500 . 4.500 2.580 1.944 2.936 . 0 0 "[ . 1 . 2 ]" 1 351 1 13 ILE MD 1 128 MET H 4.000 . 5.500 3.820 3.321 4.260 . 0 0 "[ . 1 . 2 ]" 1 352 1 13 ILE MD 1 129 ILE H 4.000 . 5.500 4.264 3.678 4.578 . 0 0 "[ . 1 . 2 ]" 1 353 1 14 GLY H 1 126 THR MG 4.000 . 5.500 3.646 3.297 4.170 . 0 0 "[ . 1 . 2 ]" 1 354 1 14 GLY QA 1 126 THR MG 4.000 . 5.500 3.254 2.455 3.613 . 0 0 "[ . 1 . 2 ]" 1 355 1 21 TRP HE1 1 118 LEU MD1 4.000 . 5.500 3.797 3.065 4.312 . 0 0 "[ . 1 . 2 ]" 1 356 1 21 TRP HE1 1 118 LEU MD2 4.000 . 5.500 3.639 3.159 4.946 . 0 0 "[ . 1 . 2 ]" 1 357 1 21 TRP HZ2 1 118 LEU MD1 3.500 . 4.500 3.522 2.955 4.049 . 0 0 "[ . 1 . 2 ]" 1 358 1 21 TRP HE3 1 118 LEU MD2 4.000 . 5.500 4.019 3.557 5.060 . 0 0 "[ . 1 . 2 ]" 1 359 1 21 TRP QB 1 118 LEU MD2 3.500 . 4.500 3.430 3.012 3.802 . 0 0 "[ . 1 . 2 ]" 1 360 1 21 TRP HD1 1 118 LEU MD2 3.500 . 4.500 3.758 3.457 4.499 . 0 0 "[ . 1 . 2 ]" 1 361 1 21 TRP HD1 1 118 LEU MD1 4.000 . 5.500 4.940 3.564 5.469 . 0 0 "[ . 1 . 2 ]" 1 362 1 21 TRP HH2 1 118 LEU MD1 5.000 . 6.500 4.291 3.414 4.745 . 0 0 "[ . 1 . 2 ]" 1 363 1 21 TRP HH2 1 118 LEU MD2 5.000 . 6.500 4.702 4.018 6.352 . 0 0 "[ . 1 . 2 ]" 1 364 1 21 TRP HA 1 151 LEU MD2 4.000 . 5.500 4.395 3.810 5.048 . 0 0 "[ . 1 . 2 ]" 1 365 1 21 TRP QB 1 151 LEU MD2 2.500 . 3.500 2.864 2.423 3.456 . 0 0 "[ . 1 . 2 ]" 1 366 1 21 TRP HD1 1 151 LEU MD2 4.000 . 5.500 3.989 3.545 4.375 . 0 0 "[ . 1 . 2 ]" 1 367 1 22 HIS HE1 1 27 LEU MD1 4.000 . 5.500 3.789 2.476 4.918 . 0 0 "[ . 1 . 2 ]" 1 368 1 23 LEU MD2 1 116 THR MG 3.500 . 4.500 3.099 2.677 3.561 . 0 0 "[ . 1 . 2 ]" 1 369 1 23 LEU MD2 1 118 LEU HG 2.500 . 3.500 3.143 2.709 3.507 0.007 15 0 "[ . 1 . 2 ]" 1 370 1 23 LEU MD2 1 118 LEU MD1 2.500 . 3.500 2.829 2.291 3.288 . 0 0 "[ . 1 . 2 ]" 1 371 1 23 LEU MD2 1 118 LEU MD2 2.500 . 3.500 2.757 2.389 3.246 . 0 0 "[ . 1 . 2 ]" 1 372 1 23 LEU MD1 1 118 LEU MD2 4.000 . 5.500 3.085 2.379 3.748 . 0 0 "[ . 1 . 2 ]" 1 373 1 23 LEU MD2 1 151 LEU HA 4.000 . 5.500 4.395 4.068 4.915 . 0 0 "[ . 1 . 2 ]" 1 374 1 23 LEU MD1 1 151 LEU MD2 2.500 . 3.500 2.025 1.832 2.448 . 0 0 "[ . 1 . 2 ]" 1 375 1 23 LEU MD1 1 151 LEU MD1 3.500 . 4.500 3.388 3.064 3.614 . 0 0 "[ . 1 . 2 ]" 1 376 1 23 LEU MD1 1 151 LEU QB 2.500 . 3.500 2.291 2.077 2.645 . 0 0 "[ . 1 . 2 ]" 1 377 1 23 LEU QB 1 151 LEU MD2 3.500 . 4.500 3.360 2.726 3.826 . 0 0 "[ . 1 . 2 ]" 1 378 1 23 LEU MD2 1 153 HIS HD2 4.000 . 5.500 3.469 3.124 3.704 . 0 0 "[ . 1 . 2 ]" 1 379 1 23 LEU MD2 1 153 HIS HE1 4.000 . 5.500 3.623 2.968 4.293 . 0 0 "[ . 1 . 2 ]" 1 380 1 23 LEU MD1 1 153 HIS HE1 3.500 . 4.500 3.709 2.993 4.301 . 0 0 "[ . 1 . 2 ]" 1 381 1 23 LEU MD2 1 153 HIS QB 4.000 . 5.500 2.078 1.866 2.395 . 0 0 "[ . 1 . 2 ]" 1 382 1 26 ASP QB 1 116 THR MG 2.500 . 3.500 3.274 3.041 3.507 0.007 15 0 "[ . 1 . 2 ]" 1 383 1 26 ASP HA 1 116 THR MG 4.000 . 5.500 4.021 3.518 4.459 . 0 0 "[ . 1 . 2 ]" 1 384 1 30 PHE HZ 1 39 MET ME 4.000 . 5.000 3.723 3.023 4.523 . 0 0 "[ . 1 . 2 ]" 1 385 1 30 PHE HZ 1 54 LEU MD1 3.500 . 4.500 4.349 4.128 4.501 0.001 21 0 "[ . 1 . 2 ]" 1 386 1 30 PHE HZ 1 97 ALA MB 3.500 . 4.500 2.628 2.318 2.996 . 0 0 "[ . 1 . 2 ]" 1 387 1 33 GLN QB 1 114 LEU MD1 3.500 . 4.500 3.524 3.295 3.897 . 0 0 "[ . 1 . 2 ]" 1 388 1 34 THR MG 1 39 MET QG 2.500 . 3.500 2.435 2.112 2.809 . 0 0 "[ . 1 . 2 ]" 1 389 1 34 THR MG 1 39 MET QB 4.000 . 5.500 3.373 2.850 3.751 . 0 0 "[ . 1 . 2 ]" 1 390 1 34 THR MG 1 57 ARG QD 4.000 . 5.500 3.558 3.233 4.153 . 0 0 "[ . 1 . 2 ]" 1 391 1 34 THR MG 1 95 VAL HB 3.500 . 4.500 4.001 3.605 4.251 . 0 0 "[ . 1 . 2 ]" 1 392 1 34 THR MG 1 95 VAL MG1 3.000 . 4.000 3.227 2.778 3.444 . 0 0 "[ . 1 . 2 ]" 1 393 1 34 THR MG 1 95 VAL MG2 3.500 . 4.500 3.879 3.508 4.067 . 0 0 "[ . 1 . 2 ]" 1 394 1 34 THR MG 1 97 ALA MB 4.000 . 5.500 4.155 3.816 4.398 . 0 0 "[ . 1 . 2 ]" 1 395 1 38 ILE MG 1 58 THR MG 3.500 . 4.500 2.810 2.311 3.058 . 0 0 "[ . 1 . 2 ]" 1 396 1 38 ILE MD 1 58 THR MG 4.000 . 5.500 4.241 3.948 4.516 . 0 0 "[ . 1 . 2 ]" 1 397 1 38 ILE QG 1 58 THR MG 2.500 . 3.500 3.290 3.081 3.492 . 0 0 "[ . 1 . 2 ]" 1 398 1 38 ILE HA 1 58 THR MG 4.000 . 5.500 3.597 3.121 4.008 . 0 0 "[ . 1 . 2 ]" 1 399 1 38 ILE MG 1 58 THR HB 3.500 . 4.500 2.738 2.136 3.333 . 0 0 "[ . 1 . 2 ]" 1 400 1 38 ILE HA 1 60 VAL MG2 4.000 . 5.500 3.793 3.284 4.071 . 0 0 "[ . 1 . 2 ]" 1 401 1 38 ILE MD 1 60 VAL MG2 4.000 . 5.500 3.892 3.565 4.159 . 0 0 "[ . 1 . 2 ]" 1 402 1 38 ILE MG 1 60 VAL MG2 3.500 . 4.500 1.940 1.782 2.170 0.018 1 0 "[ . 1 . 2 ]" 1 403 1 38 ILE MG 1 60 VAL H 4.000 . 5.500 4.392 3.712 4.804 . 0 0 "[ . 1 . 2 ]" 1 404 1 38 ILE MD 1 86 ALA HA 3.500 . 4.500 2.397 1.956 2.923 . 0 0 "[ . 1 . 2 ]" 1 405 1 38 ILE MG 1 86 ALA HA 5.000 . 6.500 4.679 4.092 5.052 . 0 0 "[ . 1 . 2 ]" 1 406 1 38 ILE MD 1 86 ALA H 4.000 . 5.500 3.887 3.012 4.447 . 0 0 "[ . 1 . 2 ]" 1 407 1 38 ILE MD 1 86 ALA MB 4.000 . 5.500 2.578 1.821 2.979 . 0 0 "[ . 1 . 2 ]" 1 408 1 38 ILE MD 1 89 HIS QB 3.500 . 4.500 2.967 2.365 3.690 . 0 0 "[ . 1 . 2 ]" 1 409 1 38 ILE MD 1 92 GLN QB 4.000 . 5.500 2.563 2.165 3.031 . 0 0 "[ . 1 . 2 ]" 1 410 1 38 ILE MD 1 92 GLN QG 4.000 . 5.500 4.166 3.419 4.796 . 0 0 "[ . 1 . 2 ]" 1 411 1 38 ILE MG 1 94 LEU HA 4.000 . 5.500 3.560 3.217 3.912 . 0 0 "[ . 1 . 2 ]" 1 412 1 39 MET ME 1 49 PHE HZ 2.500 . 3.500 2.840 1.981 3.493 . 0 0 "[ . 1 . 2 ]" 1 413 1 39 MET ME 1 54 LEU MD1 2.500 . 4.000 1.948 1.793 2.289 0.007 1 0 "[ . 1 . 2 ]" 1 414 1 39 MET ME 1 54 LEU QB 2.500 . 3.500 2.823 2.033 3.347 . 0 0 "[ . 1 . 2 ]" 1 415 1 39 MET ME 1 54 LEU HG 3.500 . 4.500 3.663 3.218 4.079 . 0 0 "[ . 1 . 2 ]" 1 416 1 39 MET ME 1 54 LEU H 4.000 . 5.500 4.034 3.433 4.609 . 0 0 "[ . 1 . 2 ]" 1 417 1 39 MET ME 1 57 ARG QD 3.500 . 4.500 3.354 2.359 4.148 . 0 0 "[ . 1 . 2 ]" 1 418 1 39 MET ME 1 57 ARG QG 3.500 . 4.500 3.809 3.076 4.422 . 0 0 "[ . 1 . 2 ]" 1 419 1 39 MET H 1 58 THR MG 4.000 . 5.500 4.171 3.868 4.475 . 0 0 "[ . 1 . 2 ]" 1 420 1 39 MET ME 1 59 ASN HA 3.000 . 4.000 3.168 2.619 3.700 . 0 0 "[ . 1 . 2 ]" 1 421 1 39 MET ME 1 59 ASN QB 4.000 . 5.500 3.707 3.264 4.068 . 0 0 "[ . 1 . 2 ]" 1 422 1 39 MET H 1 60 VAL MG2 4.000 . 5.500 3.546 2.912 4.118 . 0 0 "[ . 1 . 2 ]" 1 423 1 39 MET ME 1 60 VAL H 4.000 . 5.500 3.816 3.230 4.317 . 0 0 "[ . 1 . 2 ]" 1 424 1 39 MET ME 1 97 ALA MB 4.000 . 5.500 3.986 3.395 4.380 . 0 0 "[ . 1 . 2 ]" 1 425 1 39 MET QG 1 97 ALA MB 2.500 . 3.500 3.046 2.696 3.329 . 0 0 "[ . 1 . 2 ]" 1 426 1 40 VAL HA 1 60 VAL MG2 5.000 . 6.500 3.561 3.317 3.847 . 0 0 "[ . 1 . 2 ]" 1 427 1 40 VAL HA 1 60 VAL MG1 3.500 . 4.500 3.564 3.194 3.878 . 0 0 "[ . 1 . 2 ]" 1 428 1 40 VAL MG2 1 60 VAL H 4.000 . 5.500 4.467 3.759 4.895 . 0 0 "[ . 1 . 2 ]" 1 429 1 40 VAL MG1 1 82 VAL MG2 3.500 . 4.500 3.474 3.192 3.599 . 0 0 "[ . 1 . 2 ]" 1 430 1 40 VAL H 1 96 ILE MD 4.000 . 5.500 3.850 3.496 4.245 . 0 0 "[ . 1 . 2 ]" 1 431 1 40 VAL MG1 1 96 ILE HA 4.000 . 5.500 3.746 3.345 3.934 . 0 0 "[ . 1 . 2 ]" 1 432 1 40 VAL MG2 1 96 ILE HA 4.000 . 5.500 3.765 3.464 4.208 . 0 0 "[ . 1 . 2 ]" 1 433 1 40 VAL HB 1 96 ILE MD 2.500 . 3.500 2.040 1.924 2.519 . 0 0 "[ . 1 . 2 ]" 1 434 1 40 VAL MG1 1 96 ILE MD 3.000 . 4.000 2.551 2.221 3.020 . 0 0 "[ . 1 . 2 ]" 1 435 1 40 VAL MG2 1 96 ILE MD 3.000 . 4.000 2.553 2.252 3.009 . 0 0 "[ . 1 . 2 ]" 1 436 1 40 VAL HB 1 96 ILE MG 4.000 . 5.500 3.467 3.083 3.946 . 0 0 "[ . 1 . 2 ]" 1 437 1 40 VAL MG1 1 96 ILE MG 4.000 . 5.500 3.461 3.185 3.847 . 0 0 "[ . 1 . 2 ]" 1 438 1 40 VAL MG1 1 102 ILE QG 4.000 . 5.500 3.992 3.398 4.573 . 0 0 "[ . 1 . 2 ]" 1 439 1 40 VAL MG1 1 106 PHE HZ 3.500 . 4.500 3.390 2.793 3.961 . 0 0 "[ . 1 . 2 ]" 1 440 1 41 VAL MG2 1 46 TYR HA 3.500 . 4.500 2.887 2.656 3.108 . 0 0 "[ . 1 . 2 ]" 1 441 1 41 VAL MG1 1 46 TYR QB 5.000 . 6.500 4.730 4.120 5.055 . 0 0 "[ . 1 . 2 ]" 1 442 1 41 VAL MG2 1 46 TYR H 4.000 . 5.500 3.715 3.425 3.992 . 0 0 "[ . 1 . 2 ]" 1 443 1 41 VAL MG1 1 49 PHE HZ 2.500 . 3.500 2.115 1.906 2.780 . 0 0 "[ . 1 . 2 ]" 1 444 1 41 VAL MG2 1 49 PHE HZ 3.500 . 4.500 3.563 2.966 3.966 . 0 0 "[ . 1 . 2 ]" 1 445 1 41 VAL MG2 1 60 VAL H 4.000 . 5.500 3.248 2.792 3.663 . 0 0 "[ . 1 . 2 ]" 1 446 1 41 VAL MG2 1 61 VAL MG2 3.000 . 4.000 2.794 2.489 3.218 . 0 0 "[ . 1 . 2 ]" 1 447 1 41 VAL MG2 1 61 VAL MG1 3.500 . 4.500 3.420 3.007 3.898 . 0 0 "[ . 1 . 2 ]" 1 448 1 41 VAL MG2 1 61 VAL HA 3.000 . 4.000 2.825 2.584 3.046 . 0 0 "[ . 1 . 2 ]" 1 449 1 41 VAL MG2 1 62 LEU H 4.000 . 5.500 4.043 3.871 4.168 . 0 0 "[ . 1 . 2 ]" 1 450 1 41 VAL MG1 1 97 ALA MB 2.500 . 3.500 1.950 1.799 2.154 0.001 9 0 "[ . 1 . 2 ]" 1 451 1 41 VAL MG1 1 97 ALA H 4.000 . 5.500 3.210 2.622 3.742 . 0 0 "[ . 1 . 2 ]" 1 452 1 41 VAL MG1 1 98 GLY H 4.000 . 5.500 3.329 2.783 3.642 . 0 0 "[ . 1 . 2 ]" 1 453 1 41 VAL HA 1 102 ILE MG 3.500 . 4.500 3.514 3.110 3.807 . 0 0 "[ . 1 . 2 ]" 1 454 1 42 GLY QA 1 102 ILE MD 2.500 . 3.500 2.311 2.035 2.769 . 0 0 "[ . 1 . 2 ]" 1 455 1 42 GLY QA 1 102 ILE QG 3.500 . 4.500 2.365 2.072 2.605 . 0 0 "[ . 1 . 2 ]" 1 456 1 42 GLY H 1 102 ILE MG 4.000 . 5.500 4.139 3.762 4.651 . 0 0 "[ . 1 . 2 ]" 1 457 1 43 ARG HA 1 61 VAL MG2 4.000 . 5.500 4.521 4.014 4.887 . 0 0 "[ . 1 . 2 ]" 1 458 1 43 ARG HA 1 61 VAL MG1 2.500 . 3.500 2.905 2.273 3.332 . 0 0 "[ . 1 . 2 ]" 1 459 1 43 ARG H 1 61 VAL MG1 4.000 . 5.500 3.973 3.540 4.307 . 0 0 "[ . 1 . 2 ]" 1 460 1 43 ARG QB 1 61 VAL MG1 4.000 . 5.500 3.723 3.039 4.337 . 0 0 "[ . 1 . 2 ]" 1 461 1 43 ARG QB 1 63 THR MG 4.000 . 5.500 4.004 2.952 5.031 . 0 0 "[ . 1 . 2 ]" 1 462 1 43 ARG QD 1 63 THR MG 4.000 . 5.500 3.485 2.009 5.235 . 0 0 "[ . 1 . 2 ]" 1 463 1 46 TYR QB 1 61 VAL MG2 3.000 . 4.000 2.979 2.624 3.311 . 0 0 "[ . 1 . 2 ]" 1 464 1 46 TYR HA 1 61 VAL MG2 5.000 . 6.500 4.552 4.071 5.023 . 0 0 "[ . 1 . 2 ]" 1 465 1 46 TYR QB 1 61 VAL MG1 3.000 . 4.000 2.806 2.398 3.205 . 0 0 "[ . 1 . 2 ]" 1 466 1 46 TYR H 1 61 VAL MG1 4.000 . 5.500 4.531 4.075 4.916 . 0 0 "[ . 1 . 2 ]" 1 467 1 49 PHE QB 1 54 LEU MD2 3.000 . 4.500 2.914 2.468 4.363 . 0 0 "[ . 1 . 2 ]" 1 468 1 49 PHE HZ 1 54 LEU MD1 3.500 . 4.500 3.672 3.301 4.129 . 0 0 "[ . 1 . 2 ]" 1 469 1 49 PHE HZ 1 97 ALA MB 4.000 . 5.500 3.577 3.048 4.148 . 0 0 "[ . 1 . 2 ]" 1 470 1 53 PRO QB 1 73 ALA MB 2.500 . 3.500 2.041 1.916 2.535 . 0 0 "[ . 1 . 2 ]" 1 471 1 53 PRO QG 1 73 ALA MB 4.000 . 5.500 2.788 2.285 3.396 . 0 0 "[ . 1 . 2 ]" 1 472 1 58 THR MG 1 74 VAL MG2 3.500 . 4.500 2.818 2.425 3.504 . 0 0 "[ . 1 . 2 ]" 1 473 1 58 THR MG 1 74 VAL HB 4.000 . 5.500 3.973 3.555 4.925 . 0 0 "[ . 1 . 2 ]" 1 474 1 60 VAL MG2 1 74 VAL H 4.000 . 5.500 4.169 3.833 4.702 . 0 0 "[ . 1 . 2 ]" 1 475 1 60 VAL HA 1 74 VAL MG1 3.500 . 4.500 3.863 3.574 4.174 . 0 0 "[ . 1 . 2 ]" 1 476 1 60 VAL HA 1 74 VAL MG2 4.000 . 5.500 4.019 3.550 4.457 . 0 0 "[ . 1 . 2 ]" 1 477 1 60 VAL MG2 1 74 VAL HB 3.000 . 4.000 2.830 2.266 3.345 . 0 0 "[ . 1 . 2 ]" 1 478 1 60 VAL MG1 1 74 VAL HB 4.000 . 5.500 3.312 2.900 3.880 . 0 0 "[ . 1 . 2 ]" 1 479 1 60 VAL MG1 1 82 VAL HA 4.000 . 5.500 3.595 3.068 3.975 . 0 0 "[ . 1 . 2 ]" 1 480 1 61 VAL MG2 1 70 ALA MB 3.500 . 4.500 3.170 2.253 3.704 . 0 0 "[ . 1 . 2 ]" 1 481 1 61 VAL MG1 1 70 ALA MB 4.000 . 5.500 4.183 3.302 4.749 . 0 0 "[ . 1 . 2 ]" 1 482 1 61 VAL MG2 1 73 ALA MB 2.500 . 3.500 2.518 1.970 3.156 . 0 0 "[ . 1 . 2 ]" 1 483 1 61 VAL MG2 1 73 ALA HA 4.000 . 5.500 4.754 4.037 5.467 . 0 0 "[ . 1 . 2 ]" 1 484 1 61 VAL MG2 1 74 VAL H 4.000 . 5.500 4.104 3.538 4.699 . 0 0 "[ . 1 . 2 ]" 1 485 1 61 VAL MG2 1 75 VAL MG2 4.000 . 5.500 3.082 2.524 3.712 . 0 0 "[ . 1 . 2 ]" 1 486 1 61 VAL MG2 1 75 VAL HA 4.000 . 5.500 3.718 3.273 4.161 . 0 0 "[ . 1 . 2 ]" 1 487 1 61 VAL MG1 1 75 VAL HA 4.000 . 5.500 4.097 3.773 4.456 . 0 0 "[ . 1 . 2 ]" 1 488 1 61 VAL H 1 75 VAL MG2 4.000 . 5.500 3.925 3.374 4.774 . 0 0 "[ . 1 . 2 ]" 1 489 1 61 VAL MG1 1 75 VAL MG2 4.000 . 5.500 3.660 3.118 4.255 . 0 0 "[ . 1 . 2 ]" 1 490 1 61 VAL MG1 1 75 VAL MG1 4.000 . 5.500 3.271 2.711 3.827 . 0 0 "[ . 1 . 2 ]" 1 491 1 62 LEU HA 1 76 VAL MG2 3.500 . 4.500 2.353 2.004 2.686 . 0 0 "[ . 1 . 2 ]" 1 492 1 62 LEU QB 1 76 VAL MG2 3.500 . 4.500 2.933 2.418 3.247 . 0 0 "[ . 1 . 2 ]" 1 493 1 62 LEU MD1 1 76 VAL HB 4.000 . 5.500 3.360 3.003 3.706 . 0 0 "[ . 1 . 2 ]" 1 494 1 62 LEU MD1 1 76 VAL MG2 3.500 . 4.500 1.829 1.789 1.936 0.011 9 0 "[ . 1 . 2 ]" 1 495 1 62 LEU HG 1 76 VAL MG2 4.000 . 5.500 3.871 3.566 4.136 . 0 0 "[ . 1 . 2 ]" 1 496 1 62 LEU MD1 1 77 HIS HA 2.500 . 3.500 3.018 2.201 3.430 . 0 0 "[ . 1 . 2 ]" 1 497 1 62 LEU MD1 1 77 HIS H 4.000 . 5.500 3.884 3.559 4.109 . 0 0 "[ . 1 . 2 ]" 1 498 1 62 LEU MD1 1 78 ASP HA 3.500 . 4.500 3.946 3.466 4.284 . 0 0 "[ . 1 . 2 ]" 1 499 1 62 LEU MD2 1 78 ASP HA 5.000 . 6.500 5.207 4.639 5.683 . 0 0 "[ . 1 . 2 ]" 1 500 1 62 LEU MD1 1 78 ASP H 3.500 . 4.500 2.669 2.335 2.995 . 0 0 "[ . 1 . 2 ]" 1 501 1 62 LEU MD1 1 79 VAL HA 3.500 . 4.500 3.262 2.788 3.651 . 0 0 "[ . 1 . 2 ]" 1 502 1 62 LEU MD2 1 79 VAL HA 3.500 . 4.500 3.614 2.549 4.078 . 0 0 "[ . 1 . 2 ]" 1 503 1 62 LEU MD1 1 79 VAL H 4.000 . 5.500 3.997 3.562 4.381 . 0 0 "[ . 1 . 2 ]" 1 504 1 62 LEU MD1 1 81 ALA MB 4.000 . 5.500 4.300 3.947 4.647 . 0 0 "[ . 1 . 2 ]" 1 505 1 62 LEU MD2 1 82 VAL MG2 4.000 . 5.500 3.074 2.214 3.560 . 0 0 "[ . 1 . 2 ]" 1 506 1 62 LEU MD1 1 82 VAL MG2 4.000 . 5.500 2.074 1.814 2.271 . 0 0 "[ . 1 . 2 ]" 1 507 1 62 LEU MD2 1 105 ALA MB 4.000 . 5.500 3.074 2.728 3.457 . 0 0 "[ . 1 . 2 ]" 1 508 1 62 LEU MD2 1 106 PHE HZ 3.500 . 4.500 3.251 2.419 4.128 . 0 0 "[ . 1 . 2 ]" 1 509 1 62 LEU MD1 1 106 PHE HZ 3.500 . 4.500 3.951 3.652 4.335 . 0 0 "[ . 1 . 2 ]" 1 510 1 63 THR MG 1 68 TYR QB 3.000 . 4.000 2.748 2.337 3.133 . 0 0 "[ . 1 . 2 ]" 1 511 1 63 THR MG 1 68 TYR H 4.000 . 5.500 4.283 3.748 4.820 . 0 0 "[ . 1 . 2 ]" 1 512 1 63 THR MG 1 68 TYR HA 5.000 . 6.500 5.261 4.809 5.666 . 0 0 "[ . 1 . 2 ]" 1 513 1 63 THR MG 1 75 VAL HA 5.000 . 6.500 4.789 4.283 5.696 . 0 0 "[ . 1 . 2 ]" 1 514 1 63 THR MG 1 75 VAL MG1 3.500 . 4.500 2.862 2.266 3.590 . 0 0 "[ . 1 . 2 ]" 1 515 1 63 THR MG 1 75 VAL MG2 5.000 . 6.500 4.459 3.864 5.114 . 0 0 "[ . 1 . 2 ]" 1 516 1 63 THR HB 1 75 VAL MG1 5.000 . 6.500 4.974 4.032 5.823 . 0 0 "[ . 1 . 2 ]" 1 517 1 63 THR H 1 76 VAL MG2 4.000 . 5.500 3.812 3.317 4.320 . 0 0 "[ . 1 . 2 ]" 1 518 1 63 THR MG 1 77 HIS HE1 3.500 . 4.500 3.288 1.946 4.507 0.007 4 0 "[ . 1 . 2 ]" 1 519 1 63 THR MG 1 77 HIS HA 5.000 . 6.500 4.382 3.854 4.994 . 0 0 "[ . 1 . 2 ]" 1 520 1 68 TYR H 1 75 VAL MG1 4.000 . 5.500 4.495 3.524 5.417 . 0 0 "[ . 1 . 2 ]" 1 521 1 68 TYR QB 1 75 VAL MG1 3.500 . 4.500 2.968 1.952 4.005 . 0 0 "[ . 1 . 2 ]" 1 522 1 68 TYR QB 1 75 VAL MG2 4.000 . 5.500 3.859 2.708 4.922 . 0 0 "[ . 1 . 2 ]" 1 523 1 69 GLN HA 1 75 VAL MG2 3.500 . 4.500 3.379 2.380 4.334 . 0 0 "[ . 1 . 2 ]" 1 524 1 69 GLN HA 1 75 VAL MG1 4.000 . 5.500 4.293 3.060 5.457 . 0 0 "[ . 1 . 2 ]" 1 525 1 69 GLN H 1 75 VAL MG2 5.000 . 6.500 4.963 4.121 5.510 . 0 0 "[ . 1 . 2 ]" 1 526 1 70 ALA H 1 75 VAL MG2 2.500 . 3.500 2.638 1.961 3.386 . 0 0 "[ . 1 . 2 ]" 1 527 1 70 ALA MB 1 75 VAL MG2 2.500 . 3.500 2.295 1.853 3.112 . 0 0 "[ . 1 . 2 ]" 1 528 1 70 ALA HA 1 75 VAL MG2 4.000 . 5.500 4.403 3.901 5.234 . 0 0 "[ . 1 . 2 ]" 1 529 1 76 VAL MG2 1 81 ALA MB 4.000 . 5.500 3.800 3.153 4.101 . 0 0 "[ . 1 . 2 ]" 1 530 1 76 VAL MG1 1 81 ALA MB 3.500 . 4.500 3.048 2.726 3.493 . 0 0 "[ . 1 . 2 ]" 1 531 1 76 VAL MG2 1 82 VAL MG2 2.500 . 3.500 1.909 1.806 2.133 . 0 0 "[ . 1 . 2 ]" 1 532 1 76 VAL MG1 1 82 VAL HA 4.000 . 5.500 3.378 2.870 3.992 . 0 0 "[ . 1 . 2 ]" 1 533 1 76 VAL MG2 1 82 VAL HA 4.000 . 5.500 3.855 3.335 4.149 . 0 0 "[ . 1 . 2 ]" 1 534 1 76 VAL MG1 1 82 VAL H 4.000 . 5.500 4.390 3.865 4.839 . 0 0 "[ . 1 . 2 ]" 1 535 1 76 VAL MG2 1 82 VAL H 4.000 . 5.500 4.173 3.654 4.548 . 0 0 "[ . 1 . 2 ]" 1 536 1 82 VAL MG1 1 96 ILE MD 4.000 . 5.500 3.842 3.650 4.068 . 0 0 "[ . 1 . 2 ]" 1 537 1 82 VAL MG2 1 106 PHE HZ 2.500 . 3.500 2.740 2.275 3.121 . 0 0 "[ . 1 . 2 ]" 1 538 1 82 VAL MG1 1 106 PHE HZ 2.500 . 3.500 2.395 2.061 2.864 . 0 0 "[ . 1 . 2 ]" 1 539 1 96 ILE HA 1 102 ILE MG 4.000 . 5.500 3.900 3.387 4.166 . 0 0 "[ . 1 . 2 ]" 1 540 1 96 ILE MG 1 102 ILE MG 2.500 . 3.500 2.081 1.919 2.338 . 0 0 "[ . 1 . 2 ]" 1 541 1 96 ILE MG 1 102 ILE HB 5.000 . 6.500 3.219 2.984 3.442 . 0 0 "[ . 1 . 2 ]" 1 542 1 96 ILE MG 1 103 PHE HA 3.500 . 4.500 2.444 2.153 2.797 . 0 0 "[ . 1 . 2 ]" 1 543 1 96 ILE MG 1 103 PHE H 4.000 . 5.500 3.826 3.631 4.099 . 0 0 "[ . 1 . 2 ]" 1 544 1 96 ILE MG 1 106 PHE QB 4.000 . 5.500 3.115 2.892 3.352 . 0 0 "[ . 1 . 2 ]" 1 545 1 100 ALA MB 1 126 THR MG 3.500 . 4.500 3.254 2.759 3.710 . 0 0 "[ . 1 . 2 ]" 1 546 1 100 ALA H 1 126 THR MG 4.000 . 5.500 3.796 3.506 4.366 . 0 0 "[ . 1 . 2 ]" 1 547 1 100 ALA HA 1 129 ILE MG 3.500 . 4.500 3.571 3.248 4.003 . 0 0 "[ . 1 . 2 ]" 1 548 1 100 ALA MB 1 129 ILE MG 3.500 . 4.500 2.747 2.454 3.154 . 0 0 "[ . 1 . 2 ]" 1 549 1 103 PHE QB 1 128 MET ME 4.000 . 5.500 2.863 2.168 3.198 . 0 0 "[ . 1 . 2 ]" 1 550 1 103 PHE QB 1 129 ILE MD 3.500 . 4.500 2.667 2.149 3.077 . 0 0 "[ . 1 . 2 ]" 1 551 1 103 PHE HA 1 129 ILE MD 4.000 . 5.500 4.593 4.015 4.980 . 0 0 "[ . 1 . 2 ]" 1 552 1 103 PHE QB 1 129 ILE MG 3.500 . 4.500 3.246 2.921 3.565 . 0 0 "[ . 1 . 2 ]" 1 553 1 104 THR HA 1 129 ILE MD 2.500 . 3.500 2.985 2.595 3.425 . 0 0 "[ . 1 . 2 ]" 1 554 1 104 THR HA 1 129 ILE MG 4.000 . 5.500 3.945 3.547 4.420 . 0 0 "[ . 1 . 2 ]" 1 555 1 104 THR H 1 129 ILE MD 4.000 . 5.500 3.941 3.551 4.398 . 0 0 "[ . 1 . 2 ]" 1 556 1 104 THR H 1 129 ILE MG 3.500 . 4.500 3.992 3.722 4.402 . 0 0 "[ . 1 . 2 ]" 1 557 1 104 THR HB 1 129 ILE MG 4.000 . 5.500 4.795 4.222 5.190 . 0 0 "[ . 1 . 2 ]" 1 558 1 107 LYS HA 1 129 ILE MD 4.000 . 5.500 4.089 3.359 4.640 . 0 0 "[ . 1 . 2 ]" 1 559 1 107 LYS QD 1 129 ILE MD 2.500 . 3.500 2.508 2.029 3.319 . 0 0 "[ . 1 . 2 ]" 1 560 1 107 LYS QB 1 129 ILE MD 3.500 . 4.500 3.385 2.811 4.018 . 0 0 "[ . 1 . 2 ]" 1 561 1 107 LYS QG 1 129 ILE MD 3.500 . 4.500 2.904 2.084 4.136 . 0 0 "[ . 1 . 2 ]" 1 562 1 107 LYS QE 1 129 ILE MD 3.500 . 4.500 2.594 1.836 3.592 . 0 0 "[ . 1 . 2 ]" 1 563 1 107 LYS H 1 129 ILE MD 5.000 . 6.500 5.369 4.839 5.997 . 0 0 "[ . 1 . 2 ]" 1 564 1 107 LYS QG 1 131 LEU MD2 4.000 . 5.500 2.972 2.036 4.502 . 0 0 "[ . 1 . 2 ]" 1 565 1 107 LYS HA 1 131 LEU MD2 4.000 . 5.500 4.051 3.277 5.145 . 0 0 "[ . 1 . 2 ]" 1 566 1 107 LYS QE 1 131 LEU MD2 3.500 . 4.500 2.656 1.955 4.183 . 0 0 "[ . 1 . 2 ]" 1 567 1 107 LYS QD 1 131 LEU MD2 4.000 . 5.500 3.548 1.830 4.868 . 0 0 "[ . 1 . 2 ]" 1 568 1 112 THR MG 1 157 VAL HA 4.000 . 5.500 4.086 3.778 4.481 . 0 0 "[ . 1 . 2 ]" 1 569 1 112 THR MG 1 159 GLN HA 4.000 . 5.500 3.596 3.055 4.193 . 0 0 "[ . 1 . 2 ]" 1 570 1 112 THR MG 1 159 GLN QG 4.000 . 5.500 2.484 2.069 2.985 . 0 0 "[ . 1 . 2 ]" 1 571 1 113 LEU MD1 1 131 LEU MD1 3.500 . 4.500 3.392 2.794 4.452 . 0 0 "[ . 1 . 2 ]" 1 572 1 113 LEU MD1 1 131 LEU MD2 4.000 . 5.500 3.558 2.873 4.158 . 0 0 "[ . 1 . 2 ]" 1 573 1 113 LEU MD2 1 131 LEU MD1 3.500 . 4.500 2.925 2.130 4.049 . 0 0 "[ . 1 . 2 ]" 1 574 1 113 LEU MD2 1 131 LEU MD2 3.500 . 4.500 3.129 2.209 3.875 . 0 0 "[ . 1 . 2 ]" 1 575 1 113 LEU MD1 1 133 TRP HE3 3.500 . 4.500 4.193 3.994 4.501 0.001 15 0 "[ . 1 . 2 ]" 1 576 1 113 LEU MD1 1 133 TRP HZ2 5.000 . 6.500 5.133 4.715 5.494 . 0 0 "[ . 1 . 2 ]" 1 577 1 113 LEU MD1 1 133 TRP HH2 4.000 . 5.500 4.245 3.767 4.855 . 0 0 "[ . 1 . 2 ]" 1 578 1 113 LEU MD1 1 133 TRP HZ3 3.500 . 4.500 3.681 3.293 4.315 . 0 0 "[ . 1 . 2 ]" 1 579 1 113 LEU MD1 1 136 PHE QB 3.500 . 4.500 3.301 3.070 3.669 . 0 0 "[ . 1 . 2 ]" 1 580 1 113 LEU MD1 1 158 TRP QB 3.000 . 4.000 2.830 2.404 3.123 . 0 0 "[ . 1 . 2 ]" 1 581 1 113 LEU MD1 1 158 TRP HD1 5.000 . 6.500 5.179 4.762 5.460 . 0 0 "[ . 1 . 2 ]" 1 582 1 113 LEU MD1 1 158 TRP HE3 4.000 . 5.500 4.768 4.550 5.120 . 0 0 "[ . 1 . 2 ]" 1 583 1 114 LEU MD2 1 157 VAL HA 2.500 . 3.500 2.426 1.970 3.275 . 0 0 "[ . 1 . 2 ]" 1 584 1 114 LEU MD2 1 157 VAL HB 4.000 . 5.500 4.013 3.813 4.247 . 0 0 "[ . 1 . 2 ]" 1 585 1 114 LEU MD2 1 158 TRP H 4.000 . 5.500 4.086 3.639 4.884 . 0 0 "[ . 1 . 2 ]" 1 586 1 116 THR MG 1 153 HIS HA 4.000 . 5.500 3.478 3.115 4.098 . 0 0 "[ . 1 . 2 ]" 1 587 1 116 THR MG 1 153 HIS QB 2.500 . 3.500 1.924 1.848 2.170 . 0 0 "[ . 1 . 2 ]" 1 588 1 116 THR MG 1 153 HIS HD2 2.500 . 3.500 2.929 2.573 3.224 . 0 0 "[ . 1 . 2 ]" 1 589 1 116 THR MG 1 154 THR H 4.000 . 5.500 2.741 2.496 2.952 . 0 0 "[ . 1 . 2 ]" 1 590 1 118 LEU MD2 1 151 LEU HA 3.000 . 4.000 3.246 2.405 3.537 . 0 0 "[ . 1 . 2 ]" 1 591 1 118 LEU MD2 1 151 LEU MD2 2.500 . 3.500 3.432 2.997 3.508 0.008 12 0 "[ . 1 . 2 ]" 1 592 1 118 LEU MD1 1 153 HIS HA 4.000 . 5.500 3.541 3.060 4.447 . 0 0 "[ . 1 . 2 ]" 1 593 1 118 LEU MD1 1 153 HIS HB2 4.000 . 5.500 3.263 2.766 4.447 . 0 0 "[ . 1 . 2 ]" 1 594 1 118 LEU MD1 1 153 HIS HB3 4.000 . 5.500 2.989 2.528 3.726 . 0 0 "[ . 1 . 2 ]" 1 595 1 118 LEU MD2 1 153 HIS QB 4.000 . 5.500 3.403 2.806 3.706 . 0 0 "[ . 1 . 2 ]" 1 596 1 119 ALA MB 1 152 THR H 4.000 . 5.500 2.926 2.256 3.634 . 0 0 "[ . 1 . 2 ]" 1 597 1 119 ALA MB 1 152 THR MG 3.500 . 4.500 3.017 2.712 3.437 . 0 0 "[ . 1 . 2 ]" 1 598 1 122 PHE HZ 1 150 ALA MB 2.500 . 3.500 2.998 2.552 3.491 . 0 0 "[ . 1 . 2 ]" 1 599 1 122 PHE HZ 1 151 LEU MD2 3.000 . 4.000 3.486 2.839 3.861 . 0 0 "[ . 1 . 2 ]" 1 600 1 137 THR MG 1 159 GLN H 5.000 . 6.500 5.034 4.859 5.282 . 0 0 "[ . 1 . 2 ]" 1 601 1 137 THR MG 1 161 LYS QE 5.000 . 6.500 3.823 3.128 4.706 . 0 0 "[ . 1 . 2 ]" 1 602 1 141 SER HA 1 154 THR MG 3.500 . 4.500 4.086 3.451 4.483 . 0 0 "[ . 1 . 2 ]" 1 603 1 141 SER QB 1 154 THR MG 4.000 . 5.500 4.071 3.821 4.374 . 0 0 "[ . 1 . 2 ]" 1 604 1 142 ARG H 1 154 THR MG 3.500 . 4.500 3.352 2.755 3.931 . 0 0 "[ . 1 . 2 ]" 1 605 1 143 THR MG 1 152 THR MG 3.500 . 4.500 3.344 2.878 3.586 . 0 0 "[ . 1 . 2 ]" 1 606 1 143 THR MG 1 153 HIS H 5.000 . 6.500 4.740 4.396 5.038 . 0 0 "[ . 1 . 2 ]" 1 607 1 143 THR HA 1 154 THR MG 3.500 . 4.500 1.972 1.933 2.036 . 0 0 "[ . 1 . 2 ]" 1 608 1 143 THR MG 1 154 THR HA 4.000 . 5.500 3.647 3.297 3.915 . 0 0 "[ . 1 . 2 ]" 1 609 1 144 VAL H 1 152 THR MG 4.000 . 5.500 3.900 3.631 4.241 . 0 0 "[ . 1 . 2 ]" 1 610 1 145 GLU QB 1 152 THR MG 4.000 . 5.500 3.201 2.074 3.678 . 0 0 "[ . 1 . 2 ]" 1 611 1 145 GLU QG 1 152 THR MG 3.000 . 4.500 2.528 2.005 4.065 . 0 0 "[ . 1 . 2 ]" 1 612 1 145 GLU HA 1 152 THR MG 2.500 . 3.500 2.019 1.900 2.175 . 0 0 "[ . 1 . 2 ]" 1 613 1 145 GLU H 1 152 THR MG 4.000 . 5.500 4.250 4.139 4.429 . 0 0 "[ . 1 . 2 ]" 1 614 1 146 ASP H 1 152 THR MG 4.000 . 5.500 3.194 2.772 3.676 . 0 0 "[ . 1 . 2 ]" 1 615 1 61 VAL H 1 73 ALA MB 4.000 . 5.500 3.847 3.283 4.682 . 0 0 "[ . 1 . 2 ]" 1 616 1 2 ALA MB 1 96 ILE H 4.000 . 5.500 3.829 3.362 4.349 . 0 0 "[ . 1 . 2 ]" 1 617 1 6 ALA MB 1 116 THR H 4.000 . 5.500 3.725 3.555 3.955 . 0 0 "[ . 1 . 2 ]" 1 618 1 121 SER H 1 150 ALA MB 4.000 . 5.500 4.123 3.839 4.507 . 0 0 "[ . 1 . 2 ]" 1 619 1 39 MET HA 1 97 ALA MB 4.000 . 5.500 4.619 4.440 4.799 . 0 0 "[ . 1 . 2 ]" 1 620 1 41 VAL HA 1 97 ALA MB 4.000 . 5.500 3.509 3.111 3.798 . 0 0 "[ . 1 . 2 ]" 1 621 1 60 VAL HA 1 73 ALA MB 4.000 . 5.500 4.368 3.859 4.960 . 0 0 "[ . 1 . 2 ]" 1 622 1 2 ALA MB 1 95 VAL HA 3.000 . 4.000 2.770 1.976 3.493 . 0 0 "[ . 1 . 2 ]" 1 623 1 120 GLY QA 1 150 ALA MB 2.500 . 3.500 2.317 1.939 2.576 . 0 0 "[ . 1 . 2 ]" 1 624 1 2 ALA MB 1 112 THR HB 3.000 . 4.000 2.681 2.034 3.173 . 0 0 "[ . 1 . 2 ]" 1 625 1 4 LEU QB 1 97 ALA MB 4.000 . 5.500 3.919 3.609 4.249 . 0 0 "[ . 1 . 2 ]" 1 626 1 6 ALA MB 1 116 THR HB 2.500 . 3.500 2.467 2.172 2.630 . 0 0 "[ . 1 . 2 ]" 1 627 1 59 ASN QB 1 73 ALA MB 3.500 . 5.000 2.140 1.829 2.705 . 0 0 "[ . 1 . 2 ]" 1 628 1 61 VAL HB 1 70 ALA MB 4.000 . 5.500 4.328 3.626 5.081 . 0 0 "[ . 1 . 2 ]" 1 629 1 76 VAL HB 1 81 ALA MB 2.500 . 3.500 2.835 2.403 3.251 . 0 0 "[ . 1 . 2 ]" 1 630 1 119 ALA MB 1 152 THR HB 3.000 . 4.000 1.963 1.832 2.380 . 0 0 "[ . 1 . 2 ]" 1 631 1 98 GLY QA 1 103 PHE H 4.000 . 5.000 3.631 3.440 3.945 . 0 0 "[ . 1 . 2 ]" 1 632 1 14 GLY QA 1 126 THR H 4.000 . 5.000 4.744 4.357 4.962 . 0 0 "[ . 1 . 2 ]" 1 633 1 11 GLY QA 1 128 MET H 4.000 . 5.000 3.993 3.743 4.329 . 0 0 "[ . 1 . 2 ]" 1 634 1 120 GLY QA 1 150 ALA HA 3.500 . 4.000 2.275 2.006 2.474 . 0 0 "[ . 1 . 2 ]" 1 635 1 36 GLY QA 1 57 ARG HA 4.000 . 5.000 4.408 4.034 4.687 . 0 0 "[ . 1 . 2 ]" 1 636 1 15 LYS HA 1 124 GLY QA 3.000 . 3.500 3.284 2.973 3.457 . 0 0 "[ . 1 . 2 ]" 1 637 1 5 TRP H 1 114 LEU QB 4.000 . 5.000 3.882 3.730 3.973 . 0 0 "[ . 1 . 2 ]" 1 638 1 9 ARG H 1 118 LEU QB 4.000 . 5.000 3.856 3.715 4.059 . 0 0 "[ . 1 . 2 ]" 1 639 1 10 ASP H 1 121 SER QB 4.000 . 5.000 4.559 3.997 4.976 . 0 0 "[ . 1 . 2 ]" 1 640 1 16 ASP H 1 125 ASP QB 4.000 . 5.000 3.609 3.101 4.602 . 0 0 "[ . 1 . 2 ]" 1 641 1 36 GLY H 1 57 ARG QB 3.500 . 4.000 3.439 2.204 3.960 . 0 0 "[ . 1 . 2 ]" 1 642 1 37 LYS H 1 57 ARG QB 3.500 . 4.000 3.779 2.942 4.019 0.019 8 0 "[ . 1 . 2 ]" 1 643 1 39 MET QB 1 60 VAL H 4.000 . 5.000 3.583 3.182 4.034 . 0 0 "[ . 1 . 2 ]" 1 644 1 113 LEU H 1 158 TRP QB 4.000 . 5.000 3.246 2.913 3.836 . 0 0 "[ . 1 . 2 ]" 1 645 1 3 PHE QB 1 114 LEU H 4.000 . 5.000 3.201 3.013 3.420 . 0 0 "[ . 1 . 2 ]" 1 646 1 115 VAL H 1 156 GLU QB 4.000 . 5.000 3.433 3.176 3.886 . 0 0 "[ . 1 . 2 ]" 1 647 1 8 ASP QB 1 122 PHE H 4.000 . 5.000 3.780 3.362 4.048 . 0 0 "[ . 1 . 2 ]" 1 648 1 142 ARG H 1 155 TYR QB 4.000 . 5.000 2.932 2.521 3.210 . 0 0 "[ . 1 . 2 ]" 1 649 1 117 ARG QB 1 154 THR H 3.500 . 4.000 3.475 3.167 3.699 . 0 0 "[ . 1 . 2 ]" 1 650 1 142 ARG QB 1 155 TYR H 4.000 . 5.000 3.447 3.211 3.686 . 0 0 "[ . 1 . 2 ]" 1 651 1 140 SER QB 1 157 VAL H 4.000 . 5.000 3.712 2.825 4.333 . 0 0 "[ . 1 . 2 ]" 1 652 1 113 LEU QB 1 158 TRP H 4.000 . 5.000 3.415 2.860 3.737 . 0 0 "[ . 1 . 2 ]" 1 653 1 136 PHE QB 1 159 GLN H 4.000 . 5.000 3.781 3.082 4.256 . 0 0 "[ . 1 . 2 ]" 1 654 1 1 THR HA 1 94 LEU QB 2.500 . 3.000 2.123 1.977 2.591 . 0 0 "[ . 1 . 2 ]" 1 655 1 4 LEU HA 1 114 LEU QB 2.500 . 3.000 2.349 2.149 2.507 . 0 0 "[ . 1 . 2 ]" 1 656 1 14 GLY QA 1 126 THR HB 2.500 . 3.000 2.832 2.310 3.011 0.011 21 0 "[ . 1 . 2 ]" 1 657 1 15 LYS HA 1 125 ASP QB 4.000 . 5.000 4.000 3.581 4.885 . 0 0 "[ . 1 . 2 ]" 1 658 1 15 LYS QB 1 20 PRO HA 4.000 . 5.000 3.383 2.691 3.782 . 0 0 "[ . 1 . 2 ]" 1 659 1 34 THR HA 1 57 ARG QB 4.000 . 5.000 4.219 3.972 4.423 . 0 0 "[ . 1 . 2 ]" 1 660 1 39 MET QB 1 59 ASN HA 4.000 . 5.000 2.749 2.577 2.974 . 0 0 "[ . 1 . 2 ]" 1 661 1 43 ARG QB 1 63 THR HA 4.000 . 5.000 4.194 3.614 4.991 . 0 0 "[ . 1 . 2 ]" 1 662 1 64 HIS HA 1 77 HIS QB 4.000 . 5.000 3.890 2.348 4.824 . 0 0 "[ . 1 . 2 ]" 1 663 1 53 PRO QB 1 73 ALA HA 3.500 . 4.000 3.532 3.192 3.842 . 0 0 "[ . 1 . 2 ]" 1 664 1 59 ASN QB 1 73 ALA HA 2.500 . 3.000 2.351 1.973 2.906 . 0 0 "[ . 1 . 2 ]" 1 665 1 4 LEU QB 1 97 ALA HA 3.500 . 4.000 3.312 3.052 3.787 . 0 0 "[ . 1 . 2 ]" 1 666 1 118 LEU HA 1 153 HIS QB 3.000 . 3.500 3.172 2.566 3.501 0.001 13 0 "[ . 1 . 2 ]" 1 667 1 9 ARG QB 1 119 ALA HA 4.000 . 5.000 3.955 3.524 4.429 . 0 0 "[ . 1 . 2 ]" 1 668 1 8 ASP QB 1 121 SER HA 3.000 . 3.500 3.106 2.726 3.398 . 0 0 "[ . 1 . 2 ]" 1 669 1 15 LYS QB 1 124 GLY QA 3.000 . 3.500 2.832 2.465 3.163 . 0 0 "[ . 1 . 2 ]" 1 670 1 136 PHE HA 1 161 LYS QB 4.000 . 5.000 4.500 3.386 5.000 0.000 15 0 "[ . 1 . 2 ]" 1 671 1 141 SER HA 1 156 GLU QB 4.000 . 5.000 4.583 4.042 4.954 . 0 0 "[ . 1 . 2 ]" 1 672 1 118 LEU QB 1 151 LEU HA 5.000 . 6.000 4.945 4.652 5.200 . 0 0 "[ . 1 . 2 ]" 1 673 1 146 ASP QB 1 152 THR HA 4.000 . 5.000 3.107 2.588 3.843 . 0 0 "[ . 1 . 2 ]" 1 674 1 136 PHE QB 1 160 LYS HA 4.000 . 5.000 3.936 3.598 4.318 . 0 0 "[ . 1 . 2 ]" 1 675 1 34 THR HB 1 57 ARG QB 3.500 . 4.000 3.088 2.775 3.597 . 0 0 "[ . 1 . 2 ]" 1 676 1 43 ARG QB 1 63 THR HB 3.500 . 4.000 2.812 2.001 4.005 0.005 20 0 "[ . 1 . 2 ]" 1 677 1 111 ASP QB 1 160 LYS QB 4.000 . 5.000 3.111 2.526 4.047 . 0 0 "[ . 1 . 2 ]" 1 678 1 113 LEU QB 1 158 TRP QB 4.000 . 5.000 1.965 1.923 1.996 . 0 0 "[ . 1 . 2 ]" 1 679 1 136 PHE QB 1 158 TRP QB 4.000 . 5.000 2.569 2.083 2.958 . 0 0 "[ . 1 . 2 ]" 1 680 1 140 SER QB 1 157 VAL HB 2.500 . 3.000 2.181 1.956 2.648 . 0 0 "[ . 1 . 2 ]" 1 681 1 117 ARG QB 1 154 THR HB 2.500 . 3.000 2.653 2.299 3.009 0.009 17 0 "[ . 1 . 2 ]" 1 682 1 141 SER QB 1 156 GLU QB 4.000 . 5.000 4.426 3.822 4.892 . 0 0 "[ . 1 . 2 ]" 1 683 1 142 ARG QB 1 155 TYR QB 4.000 . 5.000 2.555 2.231 2.933 . 0 0 "[ . 1 . 2 ]" 1 684 1 146 ASP QB 1 151 LEU QB 2.500 . 3.000 2.238 1.921 2.597 . 0 0 "[ . 1 . 2 ]" 1 685 1 3 PHE HA 1 96 ILE QG 4.000 . 5.000 3.593 3.363 3.818 . 0 0 "[ . 1 . 2 ]" 1 686 1 3 PHE HZ 1 106 PHE QB 3.000 . 3.500 2.887 2.683 3.311 . 0 0 "[ . 1 . 2 ]" 1 687 1 3 PHE HZ 1 107 LYS QB 4.000 . 5.000 4.022 3.482 4.629 . 0 0 "[ . 1 . 2 ]" 1 688 1 5 TRP HZ3 1 113 LEU QB 3.500 . 4.000 3.045 2.750 3.310 . 0 0 "[ . 1 . 2 ]" 1 689 1 5 TRP HH2 1 113 LEU QB 3.500 . 4.000 2.028 1.972 2.353 . 0 0 "[ . 1 . 2 ]" 1 690 1 5 TRP HE1 1 128 MET QG 2.500 . 3.000 2.397 2.159 2.893 . 0 0 "[ . 1 . 2 ]" 1 691 1 5 TRP HE1 1 128 MET QB 3.500 . 4.000 3.089 2.792 3.427 . 0 0 "[ . 1 . 2 ]" 1 692 1 7 GLN QB 1 21 TRP HH2 4.000 . 5.000 4.243 3.754 4.567 . 0 0 "[ . 1 . 2 ]" 1 693 1 7 GLN QG 1 117 ARG HA 4.000 . 5.000 3.033 2.720 3.619 . 0 0 "[ . 1 . 2 ]" 1 694 1 7 GLN QG 1 118 LEU H 5.000 . 6.000 4.038 3.675 4.554 . 0 0 "[ . 1 . 2 ]" 1 695 1 8 ASP QB 1 21 TRP HZ3 3.000 . 3.500 3.386 3.028 3.503 0.003 8 0 "[ . 1 . 2 ]" 1 696 1 8 ASP QB 1 21 TRP HH2 4.000 . 5.000 4.007 3.571 4.428 . 0 0 "[ . 1 . 2 ]" 1 697 1 9 ARG QD 1 119 ALA HA 4.000 . 5.000 4.354 3.387 5.001 0.001 18 0 "[ . 1 . 2 ]" 1 698 1 9 ARG QG 1 121 SER HA 4.000 . 5.000 2.811 2.581 3.152 . 0 0 "[ . 1 . 2 ]" 1 699 1 9 ARG QG 1 121 SER QB 3.500 . 4.000 3.235 2.687 4.006 0.006 15 0 "[ . 1 . 2 ]" 1 700 1 9 ARG QD 1 121 SER QB 4.000 . 5.000 2.593 1.982 4.527 . 0 0 "[ . 1 . 2 ]" 1 701 1 12 LEU QB 1 21 TRP HH2 4.000 . 5.000 3.444 2.920 4.195 . 0 0 "[ . 1 . 2 ]" 1 702 1 12 LEU QB 1 127 LYS QG 4.000 . 5.000 3.666 3.089 4.071 . 0 0 "[ . 1 . 2 ]" 1 703 1 12 LEU QB 1 127 LYS QE 4.000 . 5.000 4.177 3.310 5.003 0.003 21 0 "[ . 1 . 2 ]" 1 704 1 12 LEU HA 1 127 LYS QG 3.500 . 4.000 2.387 1.988 2.908 . 0 0 "[ . 1 . 2 ]" 1 705 1 13 ILE QG 1 126 THR HB 3.000 . 3.500 2.604 2.233 2.979 . 0 0 "[ . 1 . 2 ]" 1 706 1 13 ILE QG 1 127 LYS HA 4.000 . 5.000 2.357 2.019 2.828 . 0 0 "[ . 1 . 2 ]" 1 707 1 13 ILE H 1 127 LYS QG 4.000 . 5.000 3.743 3.371 4.137 . 0 0 "[ . 1 . 2 ]" 1 708 1 13 ILE QG 1 128 MET HA 4.000 . 5.000 3.741 3.253 4.032 . 0 0 "[ . 1 . 2 ]" 1 709 1 14 GLY H 1 20 PRO QG 4.000 . 5.000 4.440 3.345 5.007 0.007 21 0 "[ . 1 . 2 ]" 1 710 1 14 GLY H 1 20 PRO QD 4.000 . 5.000 4.192 3.132 4.642 . 0 0 "[ . 1 . 2 ]" 1 711 1 14 GLY QA 1 20 PRO QD 2.500 . 3.000 2.430 1.989 2.912 . 0 0 "[ . 1 . 2 ]" 1 712 1 15 LYS H 1 20 PRO QD 4.000 . 5.000 3.457 3.034 3.984 . 0 0 "[ . 1 . 2 ]" 1 713 1 15 LYS QD 1 123 GLU QG 3.500 . 4.000 3.787 2.963 4.004 0.004 17 0 "[ . 1 . 2 ]" 1 714 1 15 LYS QG 1 125 ASP H 5.000 . 6.000 2.703 2.117 3.148 . 0 0 "[ . 1 . 2 ]" 1 715 1 15 LYS QB 1 125 ASP H 5.000 . 6.000 3.862 3.423 4.206 . 0 0 "[ . 1 . 2 ]" 1 716 1 21 TRP HE3 1 122 PHE QB 4.000 . 5.000 2.586 2.311 2.879 . 0 0 "[ . 1 . 2 ]" 1 717 1 21 TRP QB 1 122 PHE HZ 4.000 . 5.000 3.072 2.755 3.487 . 0 0 "[ . 1 . 2 ]" 1 718 1 25 ASP QB 1 153 HIS HE1 3.000 . 3.500 2.947 2.618 3.428 . 0 0 "[ . 1 . 2 ]" 1 719 1 26 ASP QB 1 153 HIS HD2 4.000 . 5.000 4.500 4.048 4.829 . 0 0 "[ . 1 . 2 ]" 1 720 1 34 THR HB 1 39 MET QG 3.500 . 4.000 3.805 3.502 4.006 0.006 4 0 "[ . 1 . 2 ]" 1 721 1 34 THR HB 1 57 ARG QD 2.500 . 3.000 2.359 2.065 2.973 . 0 0 "[ . 1 . 2 ]" 1 722 1 34 THR HB 1 57 ARG QG 4.000 . 5.000 4.136 2.310 4.528 . 0 0 "[ . 1 . 2 ]" 1 723 1 34 THR HA 1 57 ARG QD 4.000 . 5.000 4.579 4.187 4.879 . 0 0 "[ . 1 . 2 ]" 1 724 1 35 VAL HA 1 57 ARG QD 4.000 . 5.000 4.065 3.405 4.534 . 0 0 "[ . 1 . 2 ]" 1 725 1 35 VAL HA 1 57 ARG QG 4.000 . 5.000 4.378 2.183 4.741 . 0 0 "[ . 1 . 2 ]" 1 726 1 37 LYS HA 1 92 GLN QG 5.000 . 6.000 3.170 1.981 4.682 . 0 0 "[ . 1 . 2 ]" 1 727 1 37 LYS QG 1 93 GLU H 4.000 . 5.000 2.727 2.061 4.014 . 0 0 "[ . 1 . 2 ]" 1 728 1 37 LYS QE 1 93 GLU QG 5.000 . 6.000 4.060 2.809 5.769 . 0 0 "[ . 1 . 2 ]" 1 729 1 38 ILE QG 1 58 THR HB 3.500 . 4.000 3.141 2.857 3.460 . 0 0 "[ . 1 . 2 ]" 1 730 1 38 ILE QG 1 92 GLN QB 4.000 . 5.000 2.063 1.956 2.382 . 0 0 "[ . 1 . 2 ]" 1 731 1 39 MET QG 1 49 PHE HZ 4.000 . 5.000 4.386 3.801 4.821 . 0 0 "[ . 1 . 2 ]" 1 732 1 41 VAL HA 1 102 ILE QG 4.000 . 5.000 3.406 2.754 3.795 . 0 0 "[ . 1 . 2 ]" 1 733 1 42 GLY H 1 102 ILE QG 4.000 . 5.000 2.651 2.302 3.116 . 0 0 "[ . 1 . 2 ]" 1 734 1 43 ARG QG 1 63 THR HB 3.500 . 4.000 3.272 1.987 4.007 0.007 3 0 "[ . 1 . 2 ]" 1 735 1 43 ARG H 1 102 ILE QG 4.000 . 5.000 4.473 4.101 4.753 . 0 0 "[ . 1 . 2 ]" 1 736 1 46 TYR HA 1 52 ARG QG 4.000 . 5.000 4.332 3.868 4.740 . 0 0 "[ . 1 . 2 ]" 1 737 1 47 GLU HA 1 52 ARG QD 2.500 . 3.000 2.271 1.902 3.028 0.028 9 0 "[ . 1 . 2 ]" 1 738 1 47 GLU QG 1 52 ARG QD 4.000 . 5.000 3.690 3.282 4.671 . 0 0 "[ . 1 . 2 ]" 1 739 1 53 PRO QG 1 72 GLY QA 2.500 . 3.000 2.342 1.941 2.839 . 0 0 "[ . 1 . 2 ]" 1 740 1 53 PRO QG 1 73 ALA HA 4.000 . 5.000 3.896 3.406 4.326 . 0 0 "[ . 1 . 2 ]" 1 741 1 54 LEU H 1 59 ASN QB 4.000 . 5.000 3.856 3.555 4.021 . 0 0 "[ . 1 . 2 ]" 1 742 1 66 GLU QB 1 77 HIS HE1 4.000 . 5.000 4.789 4.035 5.003 0.003 9 0 "[ . 1 . 2 ]" 1 743 1 66 GLU QG 1 77 HIS HD2 4.000 . 5.000 4.636 3.313 5.009 0.009 14 0 "[ . 1 . 2 ]" 1 744 1 68 TYR QB 1 77 HIS HE1 4.000 . 5.000 4.045 3.657 4.544 . 0 0 "[ . 1 . 2 ]" 1 745 1 83 PHE HZ 1 106 PHE QB 4.000 . 5.000 3.984 3.247 4.639 . 0 0 "[ . 1 . 2 ]" 1 746 1 83 PHE HZ 1 109 ASP QB 3.500 . 4.000 2.376 1.966 3.168 . 0 0 "[ . 1 . 2 ]" 1 747 1 107 LYS QE 1 131 LEU HG 4.000 . 5.000 4.162 3.307 4.963 . 0 0 "[ . 1 . 2 ]" 1 748 1 111 ASP HA 1 160 LYS QD 3.500 . 4.000 3.183 2.720 4.015 0.015 9 0 "[ . 1 . 2 ]" 1 749 1 113 LEU HG 1 158 TRP QB 4.000 . 5.000 4.026 3.762 4.339 . 0 0 "[ . 1 . 2 ]" 1 750 1 113 LEU QB 1 158 TRP HD1 3.500 . 4.000 3.836 3.459 4.013 0.013 11 0 "[ . 1 . 2 ]" 1 751 1 118 LEU HG 1 153 HIS QB 2.500 . 3.000 2.340 2.023 2.728 . 0 0 "[ . 1 . 2 ]" 1 752 1 133 TRP QB 1 158 TRP HZ3 3.500 . 4.000 3.594 2.907 4.007 0.007 11 0 "[ . 1 . 2 ]" 1 753 1 133 TRP QB 1 158 TRP HE3 4.000 . 5.000 4.476 3.976 4.982 . 0 0 "[ . 1 . 2 ]" 1 754 1 135 ASP HA 1 161 LYS QD 4.000 . 5.000 3.452 2.234 4.747 . 0 0 "[ . 1 . 2 ]" 1 755 1 135 ASP HA 1 161 LYS QE 4.000 . 5.000 3.723 2.312 4.673 . 0 0 "[ . 1 . 2 ]" 1 756 1 136 PHE QB 1 158 TRP HZ3 3.500 . 4.000 3.882 3.588 4.010 0.010 6 0 "[ . 1 . 2 ]" 1 757 1 136 PHE HA 1 161 LYS QG 3.500 . 4.000 3.278 2.586 3.995 . 0 0 "[ . 1 . 2 ]" 1 758 1 136 PHE H 1 161 LYS QD 4.000 . 5.000 4.252 2.658 5.005 0.005 8 0 "[ . 1 . 2 ]" 1 759 1 136 PHE H 1 161 LYS QE 4.000 . 5.000 3.752 2.741 4.957 . 0 0 "[ . 1 . 2 ]" 1 760 1 137 THR HB 1 161 LYS QG 4.000 . 5.000 4.127 3.132 4.991 . 0 0 "[ . 1 . 2 ]" 1 761 1 137 THR HB 1 161 LYS QE 4.000 . 5.000 4.400 3.754 4.972 . 0 0 "[ . 1 . 2 ]" 1 762 1 137 THR HA 1 161 LYS QE 4.000 . 5.000 4.459 3.373 5.008 0.008 6 0 "[ . 1 . 2 ]" 1 763 1 138 LYS QG 1 156 GLU HA 4.000 . 5.000 4.095 3.554 4.533 . 0 0 "[ . 1 . 2 ]" 1 764 1 138 LYS QG 1 157 VAL H 4.000 . 5.000 3.319 2.770 4.034 . 0 0 "[ . 1 . 2 ]" 1 765 1 138 LYS QD 1 158 TRP HZ2 3.500 . 4.000 2.953 2.606 3.904 . 0 0 "[ . 1 . 2 ]" 1 766 1 138 LYS QE 1 158 TRP HZ2 4.000 . 5.000 4.508 3.652 4.942 . 0 0 "[ . 1 . 2 ]" 1 767 1 138 LYS QG 1 158 TRP HZ2 5.000 . 6.000 4.615 2.879 5.124 . 0 0 "[ . 1 . 2 ]" 1 768 1 138 LYS QB 1 158 TRP HZ2 4.000 . 5.000 4.068 3.103 4.605 . 0 0 "[ . 1 . 2 ]" 1 769 1 138 LYS QD 1 158 TRP HH2 4.000 . 5.000 3.997 3.345 5.007 0.007 7 0 "[ . 1 . 2 ]" 1 770 1 138 LYS QE 1 158 TRP HH2 5.000 . 6.000 5.087 3.555 5.927 . 0 0 "[ . 1 . 2 ]" 1 771 1 138 LYS QB 1 158 TRP HH2 4.000 . 5.000 3.895 3.422 4.294 . 0 0 "[ . 1 . 2 ]" 1 772 1 138 LYS QG 1 158 TRP HH2 5.000 . 6.000 5.403 3.534 5.916 . 0 0 "[ . 1 . 2 ]" 1 773 1 138 LYS QB 1 158 TRP HZ3 4.000 . 5.000 3.925 3.487 4.362 . 0 0 "[ . 1 . 2 ]" 1 774 1 138 LYS QD 1 158 TRP HE1 3.500 . 4.000 3.287 2.520 4.012 0.012 7 0 "[ . 1 . 2 ]" 1 775 1 141 SER HA 1 156 GLU QG 4.000 . 5.000 3.780 2.494 4.604 . 0 0 "[ . 1 . 2 ]" 1 776 1 146 ASP QB 1 151 LEU H 4.000 . 5.000 4.007 3.745 4.259 . 0 0 "[ . 1 . 2 ]" 1 777 1 146 ASP QB 1 152 THR H 4.000 . 5.000 4.324 3.935 4.903 . 0 0 "[ . 1 . 2 ]" 1 778 1 146 ASP QB 1 153 HIS HE1 4.000 . 5.000 3.390 3.125 3.827 . 0 0 "[ . 1 . 2 ]" 1 779 1 2 ALA H 1 96 ILE H 4.000 . 5.000 3.251 3.036 3.588 . 0 0 "[ . 1 . 2 ]" 1 780 1 3 PHE H 1 112 THR H 4.000 . 5.000 4.347 3.946 4.642 . 0 0 "[ . 1 . 2 ]" 1 781 1 3 PHE H 1 114 LEU H 4.000 . 5.000 3.734 3.486 3.893 . 0 0 "[ . 1 . 2 ]" 1 782 1 4 LEU H 1 96 ILE H 4.000 . 5.000 4.043 3.643 4.259 . 0 0 "[ . 1 . 2 ]" 1 783 1 5 TRP H 1 116 THR H 4.000 . 5.000 4.216 4.133 4.269 . 0 0 "[ . 1 . 2 ]" 1 784 1 7 GLN H 1 116 THR H 4.000 . 5.000 3.236 3.033 3.517 . 0 0 "[ . 1 . 2 ]" 1 785 1 13 ILE H 1 128 MET H 4.000 . 5.000 4.165 3.880 4.637 . 0 0 "[ . 1 . 2 ]" 1 786 1 14 GLY H 1 126 THR H 4.000 . 5.000 4.424 4.164 4.817 . 0 0 "[ . 1 . 2 ]" 1 787 1 15 LYS H 1 126 THR H 4.000 . 5.000 4.988 4.912 5.007 0.007 4 0 "[ . 1 . 2 ]" 1 788 1 16 ASP H 1 125 ASP H 4.000 . 5.000 3.751 3.327 4.317 . 0 0 "[ . 1 . 2 ]" 1 789 1 36 GLY H 1 57 ARG H 5.000 . 6.000 5.228 4.885 5.626 . 0 0 "[ . 1 . 2 ]" 1 790 1 37 LYS H 1 58 THR H 4.000 . 5.000 3.892 3.220 5.016 0.016 1 0 "[ . 1 . 2 ]" 1 791 1 38 ILE H 1 95 VAL H 4.000 . 5.000 3.898 3.515 4.189 . 0 0 "[ . 1 . 2 ]" 1 792 1 39 MET H 1 60 VAL H 4.000 . 5.000 4.515 4.038 5.003 0.003 12 0 "[ . 1 . 2 ]" 1 793 1 40 VAL H 1 95 VAL H 4.000 . 5.000 3.618 3.106 4.046 . 0 0 "[ . 1 . 2 ]" 1 794 1 41 VAL H 1 62 LEU H 4.000 . 5.000 4.131 3.923 4.363 . 0 0 "[ . 1 . 2 ]" 1 795 1 42 GLY H 1 99 GLY H 4.000 . 5.000 2.671 2.348 2.899 . 0 0 "[ . 1 . 2 ]" 1 796 1 63 THR H 1 76 VAL H 4.000 . 5.000 4.485 3.857 5.008 0.008 19 0 "[ . 1 . 2 ]" 1 797 1 113 LEU H 1 158 TRP H 3.500 . 4.000 3.560 3.207 3.875 . 0 0 "[ . 1 . 2 ]" 1 798 1 117 ARG H 1 154 THR H 3.500 . 4.000 3.125 2.818 3.356 . 0 0 "[ . 1 . 2 ]" 1 799 1 119 ALA H 1 152 THR H 4.000 . 5.000 3.571 3.213 4.363 . 0 0 "[ . 1 . 2 ]" 1 800 1 137 THR H 1 159 GLN H 3.000 . 3.500 2.962 2.458 3.481 . 0 0 "[ . 1 . 2 ]" 1 801 1 137 THR H 1 161 LYS H 4.000 . 5.000 4.410 3.177 4.849 . 0 0 "[ . 1 . 2 ]" 1 802 1 139 VAL H 1 159 GLN H 4.000 . 5.000 4.111 3.505 4.634 . 0 0 "[ . 1 . 2 ]" 1 803 1 142 ARG H 1 155 TYR H 3.500 . 4.000 3.687 3.243 4.003 0.003 8 0 "[ . 1 . 2 ]" 1 804 1 144 VAL H 1 153 HIS H 4.000 . 5.000 3.904 3.702 4.138 . 0 0 "[ . 1 . 2 ]" 1 805 1 146 ASP H 1 153 HIS H 4.000 . 5.000 4.311 3.865 4.654 . 0 0 "[ . 1 . 2 ]" 1 806 1 115 VAL H 1 156 GLU H 4.000 . 5.000 3.308 2.935 3.715 . 0 0 "[ . 1 . 2 ]" 1 807 1 139 VAL H 1 157 VAL H 4.000 . 5.000 4.451 4.018 4.947 . 0 0 "[ . 1 . 2 ]" 1 808 1 140 SER H 1 157 VAL H 3.500 . 4.000 3.656 3.161 3.971 . 0 0 "[ . 1 . 2 ]" 1 809 1 2 ALA H 1 95 VAL HA 3.000 . 3.500 2.765 2.330 3.113 . 0 0 "[ . 1 . 2 ]" 1 810 1 3 PHE H 1 113 LEU HA 3.000 . 3.500 3.127 2.799 3.390 . 0 0 "[ . 1 . 2 ]" 1 811 1 4 LEU H 1 97 ALA HA 3.500 . 4.000 3.661 3.490 3.878 . 0 0 "[ . 1 . 2 ]" 1 812 1 5 TRP H 1 115 VAL HA 3.500 . 4.000 2.716 2.602 2.945 . 0 0 "[ . 1 . 2 ]" 1 813 1 8 ASP H 1 13 ILE HA 5.000 . 6.000 4.735 4.094 5.282 . 0 0 "[ . 1 . 2 ]" 1 814 1 9 ARG H 1 121 SER HA 4.000 . 5.000 3.992 3.623 4.243 . 0 0 "[ . 1 . 2 ]" 1 815 1 10 ASP H 1 121 SER HA 4.000 . 5.000 3.827 3.487 4.291 . 0 0 "[ . 1 . 2 ]" 1 816 1 13 ILE H 1 127 LYS HA 2.500 . 3.000 2.540 2.283 2.838 . 0 0 "[ . 1 . 2 ]" 1 817 1 14 GLY H 1 127 LYS HA 4.000 . 5.000 4.291 3.814 5.011 0.011 1 0 "[ . 1 . 2 ]" 1 818 1 37 LYS H 1 57 ARG HA 4.000 . 5.000 3.717 3.327 4.595 . 0 0 "[ . 1 . 2 ]" 1 819 1 38 ILE H 1 94 LEU HA 4.000 . 5.000 3.635 3.323 4.024 . 0 0 "[ . 1 . 2 ]" 1 820 1 39 MET H 1 59 ASN HA 3.500 . 4.000 3.798 3.269 4.005 0.005 4 0 "[ . 1 . 2 ]" 1 821 1 40 VAL H 1 96 ILE HA 3.500 . 4.000 3.521 3.209 3.815 . 0 0 "[ . 1 . 2 ]" 1 822 1 41 VAL H 1 61 VAL HA 3.500 . 4.000 3.392 2.898 3.903 . 0 0 "[ . 1 . 2 ]" 1 823 1 63 THR H 1 77 HIS HA 3.500 . 4.000 3.725 3.214 4.010 0.010 19 0 "[ . 1 . 2 ]" 1 824 1 60 VAL HA 1 74 VAL H 4.000 . 5.000 3.445 3.038 3.937 . 0 0 "[ . 1 . 2 ]" 1 825 1 37 LYS HA 1 93 GLU H 3.500 . 4.000 2.698 2.294 3.013 . 0 0 "[ . 1 . 2 ]" 1 826 1 1 THR HA 1 94 LEU H 5.000 . 6.000 3.708 2.556 4.246 . 0 0 "[ . 1 . 2 ]" 1 827 1 39 MET HA 1 95 VAL H 3.500 . 4.000 3.764 3.429 3.997 . 0 0 "[ . 1 . 2 ]" 1 828 1 3 PHE HA 1 96 ILE H 3.000 . 3.500 3.138 2.893 3.415 . 0 0 "[ . 1 . 2 ]" 1 829 1 41 VAL HA 1 98 GLY H 4.000 . 5.000 2.989 2.742 3.206 . 0 0 "[ . 1 . 2 ]" 1 830 1 2 ALA HA 1 111 ASP H 4.000 . 5.000 3.876 3.321 4.434 . 0 0 "[ . 1 . 2 ]" 1 831 1 2 ALA HA 1 112 THR H 3.000 . 3.500 3.405 2.954 3.515 0.015 7 0 "[ . 1 . 2 ]" 1 832 1 113 LEU H 1 159 GLN HA 4.000 . 5.000 3.456 3.113 3.790 . 0 0 "[ . 1 . 2 ]" 1 833 1 4 LEU HA 1 114 LEU H 3.500 . 4.000 3.397 3.276 3.553 . 0 0 "[ . 1 . 2 ]" 1 834 1 6 ALA HA 1 116 THR H 3.500 . 4.000 2.267 2.167 2.421 . 0 0 "[ . 1 . 2 ]" 1 835 1 8 ASP HA 1 118 LEU H 4.000 . 5.000 2.146 1.993 2.453 . 0 0 "[ . 1 . 2 ]" 1 836 1 119 ALA H 1 153 HIS HA 4.000 . 5.000 3.999 3.392 4.403 . 0 0 "[ . 1 . 2 ]" 1 837 1 120 GLY H 1 150 ALA HA 2.500 . 3.000 2.853 2.442 3.003 0.003 5 0 "[ . 1 . 2 ]" 1 838 1 121 SER H 1 150 ALA HA 4.000 . 5.000 4.750 4.266 5.004 0.004 13 0 "[ . 1 . 2 ]" 1 839 1 15 LYS HA 1 125 ASP H 2.500 . 3.000 2.677 2.410 2.960 . 0 0 "[ . 1 . 2 ]" 1 840 1 12 LEU HA 1 128 MET H 4.000 . 5.000 3.957 3.567 4.164 . 0 0 "[ . 1 . 2 ]" 1 841 1 137 THR H 1 158 TRP HA 4.000 . 5.000 4.409 4.033 5.002 0.002 7 0 "[ . 1 . 2 ]" 1 842 1 137 THR H 1 160 LYS HA 4.000 . 5.000 3.794 3.439 4.243 . 0 0 "[ . 1 . 2 ]" 1 843 1 139 VAL H 1 158 TRP HA 3.500 . 4.000 3.397 2.928 3.732 . 0 0 "[ . 1 . 2 ]" 1 844 1 140 SER H 1 156 GLU HA 5.000 . 6.000 5.510 4.931 5.948 . 0 0 "[ . 1 . 2 ]" 1 845 1 140 SER H 1 158 TRP HA 4.000 . 5.000 4.847 4.406 5.003 0.003 2 0 "[ . 1 . 2 ]" 1 846 1 144 VAL H 1 154 THR HA 4.000 . 5.000 2.745 2.461 2.963 . 0 0 "[ . 1 . 2 ]" 1 847 1 146 ASP H 1 152 THR HA 2.500 . 3.000 2.690 2.243 3.007 0.007 9 0 "[ . 1 . 2 ]" 1 848 1 145 GLU HA 1 153 HIS H 4.000 . 5.000 3.523 2.927 3.837 . 0 0 "[ . 1 . 2 ]" 1 849 1 118 LEU HA 1 154 THR H 4.000 . 5.000 3.678 3.451 3.924 . 0 0 "[ . 1 . 2 ]" 1 850 1 143 THR HA 1 155 TYR H 3.500 . 4.000 3.745 3.290 3.992 . 0 0 "[ . 1 . 2 ]" 1 851 1 116 THR HA 1 156 GLU H 4.000 . 5.000 3.233 2.956 3.610 . 0 0 "[ . 1 . 2 ]" 1 852 1 138 LYS HA 1 157 VAL H 5.000 . 6.000 4.954 4.515 5.429 . 0 0 "[ . 1 . 2 ]" 1 853 1 141 SER HA 1 157 VAL H 4.000 . 5.000 3.308 2.798 3.700 . 0 0 "[ . 1 . 2 ]" 1 854 1 136 PHE HA 1 159 GLN H 5.000 . 6.000 4.797 3.852 5.345 . 0 0 "[ . 1 . 2 ]" 1 855 1 138 LYS HA 1 159 GLN H 4.000 . 5.000 3.540 3.045 3.997 . 0 0 "[ . 1 . 2 ]" 1 856 1 111 ASP HA 1 160 LYS H 4.000 . 5.000 3.918 3.359 4.436 . 0 0 "[ . 1 . 2 ]" 1 857 1 136 PHE HA 1 161 LYS H 3.000 . 3.500 3.106 2.518 3.442 . 0 0 "[ . 1 . 2 ]" 1 858 1 3 PHE H 1 112 THR HB 4.000 . 5.000 3.918 3.202 4.405 . 0 0 "[ . 1 . 2 ]" 1 859 1 4 LEU H 1 96 ILE HB 4.000 . 5.000 3.540 3.342 3.681 . 0 0 "[ . 1 . 2 ]" 1 860 1 5 TRP H 1 115 VAL HB 4.000 . 5.000 4.208 3.968 4.679 . 0 0 "[ . 1 . 2 ]" 1 861 1 7 GLN H 1 116 THR HB 4.000 . 5.000 3.359 2.996 3.637 . 0 0 "[ . 1 . 2 ]" 1 862 1 14 GLY H 1 126 THR HB 2.500 . 3.000 2.541 2.014 3.004 0.004 3 0 "[ . 1 . 2 ]" 1 863 1 41 VAL H 1 60 VAL HB 4.000 . 5.000 3.567 3.193 3.909 . 0 0 "[ . 1 . 2 ]" 1 864 1 43 ARG H 1 63 THR HB 4.000 . 5.000 3.868 2.979 4.717 . 0 0 "[ . 1 . 2 ]" 1 865 1 61 VAL H 1 74 VAL HB 4.000 . 5.000 4.040 3.442 4.459 . 0 0 "[ . 1 . 2 ]" 1 866 1 61 VAL HB 1 76 VAL H 4.000 . 5.000 3.831 3.368 4.245 . 0 0 "[ . 1 . 2 ]" 1 867 1 76 VAL HB 1 81 ALA H 5.000 . 6.000 5.281 4.883 5.607 . 0 0 "[ . 1 . 2 ]" 1 868 1 40 VAL HB 1 97 ALA H 4.000 . 5.000 3.621 3.145 4.080 . 0 0 "[ . 1 . 2 ]" 1 869 1 1 THR HB 1 111 ASP H 4.000 . 5.000 3.944 3.224 4.931 . 0 0 "[ . 1 . 2 ]" 1 870 1 117 ARG H 1 154 THR HB 3.500 . 4.000 3.572 3.311 3.927 . 0 0 "[ . 1 . 2 ]" 1 871 1 119 ALA H 1 152 THR HB 4.000 . 5.000 3.401 2.787 3.831 . 0 0 "[ . 1 . 2 ]" 1 872 1 139 VAL H 1 157 VAL HB 4.000 . 5.000 3.914 3.581 4.242 . 0 0 "[ . 1 . 2 ]" 1 873 1 140 SER H 1 157 VAL HB 3.000 . 3.500 2.591 2.116 3.014 . 0 0 "[ . 1 . 2 ]" 1 874 1 146 ASP H 1 152 THR HB 5.000 . 6.000 5.068 4.733 5.411 . 0 0 "[ . 1 . 2 ]" 1 875 1 144 VAL HB 1 153 HIS H 4.000 . 5.000 3.725 3.386 4.108 . 0 0 "[ . 1 . 2 ]" 1 876 1 137 THR HB 1 159 GLN H 4.000 . 5.000 4.255 3.955 4.592 . 0 0 "[ . 1 . 2 ]" 1 877 1 6 ALA HA 1 115 VAL HA 4.000 . 5.000 3.930 3.857 4.120 . 0 0 "[ . 1 . 2 ]" 1 878 1 7 GLN HA 1 13 ILE HA 3.000 . 3.500 2.831 2.243 3.279 . 0 0 "[ . 1 . 2 ]" 1 879 1 12 LEU HA 1 127 LYS HA 2.500 . 3.000 2.448 1.993 2.672 . 0 0 "[ . 1 . 2 ]" 1 880 1 35 VAL HA 1 57 ARG HA 4.000 . 5.000 3.248 2.844 3.627 . 0 0 "[ . 1 . 2 ]" 1 881 1 37 LYS HA 1 92 GLN HA 4.000 . 5.000 3.080 2.719 3.514 . 0 0 "[ . 1 . 2 ]" 1 882 1 64 HIS HA 1 77 HIS HA 4.000 . 5.000 4.151 2.446 4.956 . 0 0 "[ . 1 . 2 ]" 1 883 1 112 THR HA 1 159 GLN HA 2.500 . 3.000 2.668 2.276 3.013 0.013 15 0 "[ . 1 . 2 ]" 1 884 1 114 LEU HA 1 157 VAL HA 3.000 . 3.500 2.797 2.678 2.880 . 0 0 "[ . 1 . 2 ]" 1 885 1 136 PHE HA 1 160 LYS HA 3.000 . 3.500 2.563 2.149 2.926 . 0 0 "[ . 1 . 2 ]" 1 886 1 141 SER HA 1 156 GLU HA 4.000 . 5.000 2.603 2.197 2.861 . 0 0 "[ . 1 . 2 ]" 1 887 1 145 GLU HA 1 152 THR HA 3.000 . 3.500 2.922 2.075 3.405 . 0 0 "[ . 1 . 2 ]" 1 888 1 118 LEU HA 1 153 HIS HA 2.500 . 3.000 2.052 1.990 2.336 . 0 0 "[ . 1 . 2 ]" 1 889 1 143 THR HA 1 154 THR HA 2.500 . 3.000 2.462 2.121 2.685 . 0 0 "[ . 1 . 2 ]" 1 890 1 138 LYS HA 1 158 TRP HA 2.500 . 3.000 2.432 2.074 2.731 . 0 0 "[ . 1 . 2 ]" 1 891 1 2 ALA HA 1 112 THR HB 3.000 . 3.500 2.945 2.345 3.406 . 0 0 "[ . 1 . 2 ]" 1 892 1 3 PHE HA 1 96 ILE HB 2.500 . 3.000 2.404 2.212 2.573 . 0 0 "[ . 1 . 2 ]" 1 893 1 6 ALA HA 1 116 THR HB 2.500 . 3.000 2.449 2.164 2.701 . 0 0 "[ . 1 . 2 ]" 1 894 1 7 GLN HA 1 13 ILE HB 5.000 . 6.000 4.901 4.247 5.528 . 0 0 "[ . 1 . 2 ]" 1 895 1 8 ASP HA 1 118 LEU HB3 4.000 . 5.000 3.482 3.038 3.728 . 0 0 "[ . 1 . 2 ]" 1 896 1 8 ASP HA 1 118 LEU HB2 4.000 . 5.000 2.151 1.990 2.349 . 0 0 "[ . 1 . 2 ]" 1 897 1 35 VAL HA 1 57 ARG HB3 3.500 . 4.000 2.372 1.975 2.696 . 0 0 "[ . 1 . 2 ]" 1 898 1 35 VAL HA 1 57 ARG HB2 3.500 . 4.000 3.606 3.098 4.008 0.008 19 0 "[ . 1 . 2 ]" 1 899 1 39 MET HA 1 95 VAL HB 4.000 . 5.000 2.668 2.220 3.104 . 0 0 "[ . 1 . 2 ]" 1 900 1 41 VAL HA 1 102 ILE HB 4.000 . 5.000 4.584 4.237 4.823 . 0 0 "[ . 1 . 2 ]" 1 901 1 60 VAL HA 1 74 VAL HB 2.500 . 3.000 2.646 2.166 2.962 . 0 0 "[ . 1 . 2 ]" 1 902 1 61 VAL HB 1 75 VAL HA 2.500 . 3.000 2.625 2.203 3.003 0.003 17 0 "[ . 1 . 2 ]" 1 903 1 38 ILE HB 1 94 LEU HA 4.000 . 5.000 2.261 1.994 2.747 . 0 0 "[ . 1 . 2 ]" 1 904 1 40 VAL HB 1 96 ILE HA 2.500 . 3.000 2.435 2.114 2.769 . 0 0 "[ . 1 . 2 ]" 1 905 1 1 THR HB 1 110 VAL HA 3.500 . 4.000 2.874 2.101 3.795 . 0 0 "[ . 1 . 2 ]" 1 906 1 111 ASP HA 1 160 LYS HB2 3.500 . 5.000 2.684 2.395 2.990 . 0 0 "[ . 1 . 2 ]" 1 907 1 143 THR HA 1 154 THR HB 4.000 . 5.000 4.301 4.130 4.531 . 0 0 "[ . 1 . 2 ]" 1 908 1 145 GLU HA 1 152 THR HB 4.000 . 5.000 4.726 4.332 4.930 . 0 0 "[ . 1 . 2 ]" 1 909 1 3 PHE HZ 1 103 PHE HA 4.000 . 5.000 3.027 2.749 3.290 . 0 0 "[ . 1 . 2 ]" 1 910 1 3 PHE HZ 1 107 LYS HA 2.500 . 3.000 2.721 2.274 3.010 0.010 1 0 "[ . 1 . 2 ]" 1 911 1 3 PHE HZ 1 110 VAL HB 4.000 . 5.000 3.898 3.090 4.921 . 0 0 "[ . 1 . 2 ]" 1 912 1 4 LEU HG 1 30 PHE HA 5.000 . 6.000 5.018 4.638 5.336 . 0 0 "[ . 1 . 2 ]" 1 913 1 4 LEU H 1 103 PHE HZ 4.000 . 5.000 3.537 3.003 3.891 . 0 0 "[ . 1 . 2 ]" 1 914 1 5 TRP HD1 1 13 ILE HA 5.000 . 6.000 4.289 3.903 4.945 . 0 0 "[ . 1 . 2 ]" 1 915 1 5 TRP HD1 1 13 ILE HB 4.000 . 5.000 3.642 2.932 4.265 . 0 0 "[ . 1 . 2 ]" 1 916 1 5 TRP HA 1 103 PHE HZ 4.000 . 5.000 4.170 3.691 4.519 . 0 0 "[ . 1 . 2 ]" 1 917 1 5 TRP QB 1 103 PHE HZ 3.000 . 4.500 2.504 2.162 2.764 . 0 0 "[ . 1 . 2 ]" 1 918 1 5 TRP HZ3 1 113 LEU HA 3.000 . 3.500 2.765 2.586 3.005 . 0 0 "[ . 1 . 2 ]" 1 919 1 5 TRP HZ3 1 114 LEU H 3.500 . 4.000 2.767 2.629 2.933 . 0 0 "[ . 1 . 2 ]" 1 920 1 5 TRP HE3 1 114 LEU H 4.000 . 5.000 4.294 4.198 4.401 . 0 0 "[ . 1 . 2 ]" 1 921 1 5 TRP HH2 1 115 VAL HB 3.500 . 4.000 2.994 2.853 3.176 . 0 0 "[ . 1 . 2 ]" 1 922 1 5 TRP HE3 1 115 VAL HA 4.000 . 5.000 4.100 4.040 4.206 . 0 0 "[ . 1 . 2 ]" 1 923 1 5 TRP HE3 1 115 VAL HB 4.000 . 5.000 4.346 4.136 4.757 . 0 0 "[ . 1 . 2 ]" 1 924 1 5 TRP HE1 1 115 VAL HB 4.000 . 5.000 4.149 3.960 4.275 . 0 0 "[ . 1 . 2 ]" 1 925 1 5 TRP HZ2 1 133 TRP HZ2 3.500 . 4.000 3.098 2.463 3.599 . 0 0 "[ . 1 . 2 ]" 1 926 1 5 TRP HE1 1 133 TRP HH2 5.000 . 6.000 5.082 4.465 5.521 . 0 0 "[ . 1 . 2 ]" 1 927 1 5 TRP HE1 1 133 TRP HZ2 5.000 . 6.000 4.800 4.267 5.296 . 0 0 "[ . 1 . 2 ]" 1 928 1 7 GLN HA 1 21 TRP HZ2 4.000 . 5.000 3.713 3.153 4.042 . 0 0 "[ . 1 . 2 ]" 1 929 1 7 GLN HA 1 21 TRP HH2 2.500 . 3.000 2.557 2.058 2.865 . 0 0 "[ . 1 . 2 ]" 1 930 1 8 ASP H 1 21 TRP HH2 3.500 . 4.000 3.642 3.254 4.006 0.006 11 0 "[ . 1 . 2 ]" 1 931 1 8 ASP H 1 21 TRP HZ3 4.000 . 5.000 4.326 3.738 4.854 . 0 0 "[ . 1 . 2 ]" 1 932 1 12 LEU HG 1 21 TRP HZ3 5.000 . 6.000 4.385 4.077 4.657 . 0 0 "[ . 1 . 2 ]" 1 933 1 12 LEU HG 1 125 ASP H 4.000 . 5.000 4.683 4.015 4.970 . 0 0 "[ . 1 . 2 ]" 1 934 1 13 ILE HA 1 21 TRP HH2 2.500 . 3.000 2.940 2.709 3.010 0.010 17 0 "[ . 1 . 2 ]" 1 935 1 13 ILE HA 1 21 TRP HZ2 4.000 . 5.000 4.006 3.658 4.351 . 0 0 "[ . 1 . 2 ]" 1 936 1 13 ILE HB 1 21 TRP HH2 5.000 . 6.000 5.350 5.054 5.481 . 0 0 "[ . 1 . 2 ]" 1 937 1 23 LEU HG 1 153 HIS HE1 4.000 . 5.000 4.444 3.961 4.818 . 0 0 "[ . 1 . 2 ]" 1 938 1 30 PHE HZ 1 49 PHE HZ 4.000 . 5.000 3.768 3.216 4.318 . 0 0 "[ . 1 . 2 ]" 1 939 1 35 VAL HA 1 57 ARG HE 5.000 . 6.000 4.773 4.096 5.737 . 0 0 "[ . 1 . 2 ]" 1 940 1 41 VAL HB 1 46 TYR H 4.000 . 5.000 3.594 3.197 3.983 . 0 0 "[ . 1 . 2 ]" 1 941 1 41 VAL HB 1 49 PHE HZ 4.000 . 5.000 3.716 3.061 4.530 . 0 0 "[ . 1 . 2 ]" 1 942 1 47 GLU HA 1 52 ARG HE 4.000 . 5.000 3.856 2.006 4.887 . 0 0 "[ . 1 . 2 ]" 1 943 1 66 GLU HA 1 77 HIS HE1 2.500 . 3.000 2.944 2.587 3.007 0.007 9 0 "[ . 1 . 2 ]" 1 944 1 68 TYR H 1 77 HIS HE1 4.000 . 5.000 4.398 3.732 5.005 0.005 13 0 "[ . 1 . 2 ]" 1 945 1 79 VAL HA 1 106 PHE HZ 3.500 . 4.000 3.543 3.191 3.777 . 0 0 "[ . 1 . 2 ]" 1 946 1 82 VAL HB 1 106 PHE HZ 2.500 . 3.000 2.817 2.282 3.003 0.003 15 0 "[ . 1 . 2 ]" 1 947 1 82 VAL H 1 106 PHE HZ 5.000 . 6.000 5.072 4.603 5.324 . 0 0 "[ . 1 . 2 ]" 1 948 1 83 PHE HZ 1 106 PHE HA 4.000 . 5.000 4.110 2.692 4.809 . 0 0 "[ . 1 . 2 ]" 1 949 1 97 ALA HA 1 103 PHE HZ 3.500 . 4.000 2.850 2.544 3.287 . 0 0 "[ . 1 . 2 ]" 1 950 1 115 VAL HB 1 158 TRP HD1 4.000 . 5.000 4.844 4.565 5.003 0.003 19 0 "[ . 1 . 2 ]" 1 951 1 115 VAL H 1 158 TRP HD1 4.000 . 5.000 3.893 3.519 4.322 . 0 0 "[ . 1 . 2 ]" 1 952 1 117 ARG HE 1 158 TRP HZ2 3.500 . 4.000 3.819 2.963 4.008 0.008 6 0 "[ . 1 . 2 ]" 1 953 1 118 LEU HG 1 151 LEU HA 4.000 . 5.000 4.755 4.334 5.006 0.006 9 0 "[ . 1 . 2 ]" 1 954 1 118 LEU HG 1 153 HIS HA 4.000 . 5.000 2.923 2.684 3.383 . 0 0 "[ . 1 . 2 ]" 1 955 1 122 PHE HZ 1 150 ALA HA 4.000 . 5.000 4.619 4.221 4.963 . 0 0 "[ . 1 . 2 ]" 1 956 1 122 PHE HZ 1 151 LEU HA 4.000 . 5.000 3.994 2.981 4.341 . 0 0 "[ . 1 . 2 ]" 1 957 1 122 PHE HZ 1 151 LEU HG 4.000 . 5.000 4.413 3.562 4.820 . 0 0 "[ . 1 . 2 ]" 1 958 1 133 TRP HE3 1 158 TRP HZ3 3.500 . 4.000 3.708 3.245 3.976 . 0 0 "[ . 1 . 2 ]" 1 959 1 133 TRP HE3 1 158 TRP HE3 3.500 . 4.000 3.181 2.823 3.571 . 0 0 "[ . 1 . 2 ]" 1 960 1 133 TRP HZ3 1 158 TRP HD1 3.500 . 4.000 3.350 2.956 3.892 . 0 0 "[ . 1 . 2 ]" 1 961 1 133 TRP HZ3 1 158 TRP HZ2 4.000 . 5.000 4.770 4.249 5.000 0.000 12 0 "[ . 1 . 2 ]" 1 962 1 133 TRP HE3 1 158 TRP HZ2 4.000 . 5.000 4.747 4.182 5.000 . 0 0 "[ . 1 . 2 ]" 1 963 1 133 TRP HZ3 1 158 TRP HE3 4.000 . 5.000 4.106 3.692 4.743 . 0 0 "[ . 1 . 2 ]" 1 964 1 133 TRP HZ3 1 158 TRP HE1 4.000 . 5.000 3.733 3.279 3.997 . 0 0 "[ . 1 . 2 ]" 1 965 1 133 TRP HE3 1 158 TRP HH2 4.000 . 5.000 4.471 4.180 4.723 . 0 0 "[ . 1 . 2 ]" 1 966 1 133 TRP HZ3 1 158 TRP HH2 5.000 . 6.000 5.654 5.045 6.002 0.002 10 0 "[ . 1 . 2 ]" 1 967 1 136 PHE HB3 1 158 TRP HE3 3.000 . 3.500 2.586 2.405 2.707 . 0 0 "[ . 1 . 2 ]" 1 968 1 136 PHE HB2 1 158 TRP HE3 3.000 . 3.500 3.140 2.811 3.484 . 0 0 "[ . 1 . 2 ]" 1 969 1 136 PHE HA 1 158 TRP HE3 4.000 . 5.000 4.650 4.177 4.969 . 0 0 "[ . 1 . 2 ]" 1 970 1 137 THR HA 1 158 TRP HZ3 4.000 . 5.000 3.404 2.474 4.147 . 0 0 "[ . 1 . 2 ]" 1 971 1 137 THR HA 1 158 TRP HE3 3.500 . 4.000 3.509 2.866 3.975 . 0 0 "[ . 1 . 2 ]" 1 972 1 138 LYS H 1 158 TRP HZ3 4.000 . 5.000 3.995 3.263 4.826 . 0 0 "[ . 1 . 2 ]" 1 973 1 138 LYS HA 1 158 TRP HE3 4.000 . 5.000 4.064 3.621 4.602 . 0 0 "[ . 1 . 2 ]" 1 974 1 144 VAL HB 1 153 HIS HD2 3.500 . 4.000 3.171 2.889 3.497 . 0 0 "[ . 1 . 2 ]" 1 975 1 144 VAL HB 1 153 HIS HE1 3.500 . 4.000 3.286 2.976 3.555 . 0 0 "[ . 1 . 2 ]" 1 976 1 146 ASP HA 1 153 HIS HE1 5.000 . 6.000 4.198 3.630 4.877 . 0 0 "[ . 1 . 2 ]" 1 977 1 26 ASP HA 1 29 TYR QD 4.000 . 5.000 4.909 4.673 5.008 0.008 4 0 "[ . 1 . 2 ]" 1 978 1 27 LEU HA 1 30 PHE QD 4.000 . 5.000 4.407 4.124 4.604 . 0 0 "[ . 1 . 2 ]" 1 979 1 29 TYR QD 1 32 ALA MB 4.000 . 5.500 3.595 3.205 4.166 . 0 0 "[ . 1 . 2 ]" 1 980 1 29 TYR QD 1 33 GLN QG 3.500 . 4.000 3.248 2.539 4.011 0.011 8 0 "[ . 1 . 2 ]" 1 981 1 29 TYR QE 1 33 GLN QG 3.000 . 3.500 2.803 2.145 3.506 0.006 11 0 "[ . 1 . 2 ]" 1 982 1 29 TYR QE 1 33 GLN QB 4.000 . 5.000 4.411 3.929 4.768 . 0 0 "[ . 1 . 2 ]" 1 983 1 29 TYR QE 1 33 GLN QE 3.500 . 4.000 3.376 2.098 3.989 . 0 0 "[ . 1 . 2 ]" 1 984 1 30 PHE QE 1 34 THR MG 3.500 . 4.500 2.754 2.459 3.181 . 0 0 "[ . 1 . 2 ]" 1 985 1 30 PHE QD 1 34 THR MG 4.000 . 5.500 3.150 2.992 3.452 . 0 0 "[ . 1 . 2 ]" 1 986 1 43 ARG HA 1 46 TYR QD 4.000 . 5.000 4.131 3.827 4.420 . 0 0 "[ . 1 . 2 ]" 1 987 1 45 THR MG 1 49 PHE QD 4.000 . 5.500 4.203 3.739 4.536 . 0 0 "[ . 1 . 2 ]" 1 988 1 45 THR MG 1 49 PHE QE 3.500 . 4.500 2.930 1.973 3.516 . 0 0 "[ . 1 . 2 ]" 1 989 1 46 TYR QD 1 49 PHE QD 3.500 . 4.000 3.077 2.757 3.495 . 0 0 "[ . 1 . 2 ]" 1 990 1 46 TYR QD 1 49 PHE QE 2.500 . 3.000 2.803 2.435 3.024 0.024 9 0 "[ . 1 . 2 ]" 1 991 1 46 TYR HA 1 49 PHE QE 3.500 . 4.000 2.204 1.997 2.745 . 0 0 "[ . 1 . 2 ]" 1 992 1 46 TYR QB 1 49 PHE QE 4.000 . 5.000 3.880 3.679 4.227 . 0 0 "[ . 1 . 2 ]" 1 993 1 46 TYR HA 1 49 PHE QD 3.000 . 3.500 2.223 1.989 2.811 . 0 0 "[ . 1 . 2 ]" 1 994 1 49 PHE QD 1 52 ARG QG 3.500 . 4.500 2.891 2.519 3.614 . 0 0 "[ . 1 . 2 ]" 1 995 1 49 PHE QD 1 52 ARG QD 4.000 . 5.000 3.758 3.088 4.517 . 0 0 "[ . 1 . 2 ]" 1 996 1 49 PHE QD 1 53 PRO HA 4.000 . 5.000 4.926 4.219 5.025 0.025 12 0 "[ . 1 . 2 ]" 1 997 1 65 GLN QB 1 68 TYR QD 4.000 . 5.000 4.569 3.343 5.015 0.015 15 0 "[ . 1 . 2 ]" 1 998 1 68 TYR QE 1 70 ALA MB 2.500 . 3.500 2.750 2.232 3.192 . 0 0 "[ . 1 . 2 ]" 1 999 1 68 TYR QD 1 70 ALA MB 3.000 . 4.000 3.252 2.382 3.970 . 0 0 "[ . 1 . 2 ]" 1 1000 1 68 TYR QE 1 70 ALA HA 4.000 . 5.000 4.470 3.072 5.009 0.009 2 0 "[ . 1 . 2 ]" 1 1001 1 80 ALA HA 1 83 PHE QD 3.500 . 4.000 3.163 2.212 4.010 0.010 1 0 "[ . 1 . 2 ]" 1 1002 1 83 PHE QD 1 86 ALA MB 3.500 . 4.500 3.653 2.990 4.505 0.005 20 0 "[ . 1 . 2 ]" 1 1003 1 85 TYR QE 1 89 HIS HE1 4.000 . 5.000 3.227 2.653 3.587 . 0 0 "[ . 1 . 2 ]" 1 1004 1 85 TYR QD 1 89 HIS HE1 4.000 . 5.000 4.713 4.139 5.004 0.004 12 0 "[ . 1 . 2 ]" 1 1005 1 99 GLY QA 1 103 PHE QE 3.500 . 4.000 3.749 3.320 4.003 0.003 2 0 "[ . 1 . 2 ]" 1 1006 1 100 ALA HA 1 103 PHE QD 4.000 . 5.000 2.021 1.991 2.125 . 0 0 "[ . 1 . 2 ]" 1 1007 1 100 ALA MB 1 103 PHE QD 4.000 . 5.500 3.569 3.464 3.680 . 0 0 "[ . 1 . 2 ]" 1 1008 1 102 ILE MG 1 106 PHE QE 2.500 . 3.500 2.279 1.979 2.809 . 0 0 "[ . 1 . 2 ]" 1 1009 1 102 ILE MG 1 106 PHE QD 2.500 . 3.500 2.391 2.182 2.950 . 0 0 "[ . 1 . 2 ]" 1 1010 1 106 PHE QD 1 109 ASP QB 3.500 . 4.000 3.208 2.642 3.696 . 0 0 "[ . 1 . 2 ]" 1 1011 1 118 LEU MD2 1 122 PHE QD 4.000 . 5.500 3.821 3.161 4.513 . 0 0 "[ . 1 . 2 ]" 1 1012 1 118 LEU MD2 1 122 PHE QE 2.500 . 3.500 2.538 2.077 2.916 . 0 0 "[ . 1 . 2 ]" 1 1013 1 118 LEU QB 1 122 PHE QE 4.000 . 5.000 2.912 2.525 3.147 . 0 0 "[ . 1 . 2 ]" 1 1014 1 120 GLY H 1 122 PHE QE 4.000 . 5.000 3.444 3.234 3.643 . 0 0 "[ . 1 . 2 ]" 1 1015 1 120 GLY QA 1 122 PHE QE 3.500 . 4.000 2.961 2.579 3.511 . 0 0 "[ . 1 . 2 ]" 1 1016 1 132 ASN QB 1 136 PHE QE 4.000 . 5.000 3.018 2.418 3.625 . 0 0 "[ . 1 . 2 ]" 1 1017 1 133 TRP HA 1 136 PHE QE 4.000 . 5.000 4.787 4.192 5.012 0.012 8 0 "[ . 1 . 2 ]" 1 1018 1 133 TRP HA 1 136 PHE QD 3.500 . 4.000 2.900 2.335 3.203 . 0 0 "[ . 1 . 2 ]" 1 1019 1 134 ASP H 1 136 PHE QD 5.000 . 6.000 4.283 3.703 4.859 . 0 0 "[ . 1 . 2 ]" 1 1020 1 153 HIS HD2 1 155 TYR QE 3.500 . 4.000 3.024 2.828 3.322 . 0 0 "[ . 1 . 2 ]" 1 1021 1 153 HIS HD2 1 155 TYR QD 4.000 . 5.000 3.933 3.751 4.094 . 0 0 "[ . 1 . 2 ]" 1 1022 1 54 LEU MD2 1 57 ARG QH 4.000 . 5.500 3.090 2.019 3.534 . 0 0 "[ . 1 . 2 ]" 1 1023 1 54 LEU MD1 1 57 ARG QH 3.500 . 4.500 2.749 2.323 3.142 . 0 0 "[ . 1 . 2 ]" 1 1024 1 55 PRO QD 1 57 ARG QH 3.500 . 4.000 3.442 2.485 3.979 . 0 0 "[ . 1 . 2 ]" 1 1025 1 55 PRO QG 1 57 ARG QH 4.000 . 5.000 4.407 4.060 4.957 . 0 0 "[ . 1 . 2 ]" 1 1026 1 31 ARG HA 1 35 VAL QG 4.000 . 5.500 3.254 2.888 3.558 . 0 0 "[ . 1 . 2 ]" 1 1027 1 31 ARG QD 1 35 VAL QG 4.000 . 5.500 3.368 1.883 3.869 . 0 0 "[ . 1 . 2 ]" 1 1028 1 31 ARG QG 1 35 VAL QG 3.000 . 4.000 2.165 1.972 2.479 . 0 0 "[ . 1 . 2 ]" 1 1029 1 32 ALA HA 1 35 VAL QG 3.500 . 4.500 2.583 2.452 2.810 . 0 0 "[ . 1 . 2 ]" 1 1030 1 32 ALA H 1 35 VAL QG 5.000 . 6.500 4.171 4.001 4.333 . 0 0 "[ . 1 . 2 ]" 1 1031 1 79 VAL QG 1 82 VAL H 5.000 . 6.500 4.248 4.130 4.450 . 0 0 "[ . 1 . 2 ]" 1 1032 1 79 VAL QG 1 82 VAL HB 4.000 . 5.500 3.475 3.040 3.985 . 0 0 "[ . 1 . 2 ]" 1 1033 1 79 VAL QG 1 82 VAL MG2 5.000 . 6.000 3.414 3.200 3.838 . 0 0 "[ . 1 . 2 ]" 1 1034 1 79 VAL QG 1 83 PHE H 5.000 . 6.500 4.190 3.807 4.422 . 0 0 "[ . 1 . 2 ]" 1 1035 1 79 VAL QG 1 83 PHE HZ 5.000 . 6.500 4.290 3.291 5.027 . 0 0 "[ . 1 . 2 ]" 1 1036 1 79 VAL QG 1 83 PHE QD 4.000 . 5.500 2.725 1.971 3.582 . 0 0 "[ . 1 . 2 ]" 1 1037 1 79 VAL QG 1 83 PHE QE 3.000 . 4.500 2.622 1.908 3.586 . 0 0 "[ . 1 . 2 ]" 1 1038 1 107 LYS HA 1 110 VAL QG 4.000 . 5.500 3.218 2.414 4.027 . 0 0 "[ . 1 . 2 ]" 1 1039 1 110 VAL QG 1 112 THR H 3.000 . 4.000 3.187 1.894 4.001 0.001 18 0 "[ . 1 . 2 ]" 1 1040 1 110 VAL QG 1 113 LEU MD2 2.500 . 4.000 1.902 1.788 2.230 0.012 3 0 "[ . 1 . 2 ]" 1 1041 1 137 THR HB 1 139 VAL QG 4.000 . 5.500 3.575 3.064 5.339 . 0 0 "[ . 1 . 2 ]" 1 1042 1 113 LEU QB 1 115 VAL QG 4.000 . 5.500 3.907 3.573 4.055 . 0 0 "[ . 1 . 2 ]" 1 1043 1 115 VAL QG 1 117 ARG HA 4.000 . 5.500 3.543 3.434 3.652 . 0 0 "[ . 1 . 2 ]" 1 1044 1 115 VAL QG 1 117 ARG QG 2.500 . 3.500 2.597 2.355 3.174 . 0 0 "[ . 1 . 2 ]" 1 1045 1 95 VAL QG 1 97 ALA HA 4.000 . 5.500 4.040 3.853 4.142 . 0 0 "[ . 1 . 2 ]" 1 1046 1 95 VAL QG 1 97 ALA MB 3.500 . 4.500 3.572 3.405 3.802 . 0 0 "[ . 1 . 2 ]" 1 1047 1 142 ARG QG 1 144 VAL QG 4.000 . 5.500 2.849 2.484 3.736 . 0 0 "[ . 1 . 2 ]" 1 1048 1 144 VAL QG 1 146 ASP QB 4.000 . 5.500 4.381 4.077 4.616 . 0 0 "[ . 1 . 2 ]" 1 1049 1 94 LEU QD 1 96 ILE MD 3.500 . 4.500 2.307 1.974 2.693 . 0 0 "[ . 1 . 2 ]" 1 1050 1 7 GLN QE 1 11 GLY QA 4.000 . 5.000 3.041 2.035 4.292 . 0 0 "[ . 1 . 2 ]" 1 1051 1 7 GLN QE 1 11 GLY H 4.000 . 5.000 4.500 3.543 5.039 0.039 1 0 "[ . 1 . 2 ]" 1 1052 1 57 ARG H 1 59 ASN QD 4.000 . 5.000 4.219 3.744 4.449 . 0 0 "[ . 1 . 2 ]" 1 1053 1 148 ASN QD 1 150 ALA MB 4.000 . 5.500 4.293 3.594 5.295 . 0 0 "[ . 1 . 2 ]" 1 1054 1 148 ASN QD 1 151 LEU MD1 4.000 . 5.500 3.068 1.830 4.033 . 0 0 "[ . 1 . 2 ]" 1 1055 1 148 ASN QD 1 151 LEU HG 4.000 . 5.000 4.372 3.382 5.014 0.014 7 0 "[ . 1 . 2 ]" 1 1056 1 29 TYR HA 1 32 ALA MB 2.500 . 3.500 2.679 2.411 2.981 . 0 0 "[ . 1 . 2 ]" 1 1057 1 80 ALA HA 1 83 PHE QB 2.500 . 3.000 2.746 2.278 3.003 0.003 9 0 "[ . 1 . 2 ]" 1 1058 1 81 ALA HA 1 84 ALA MB 2.500 . 3.500 2.503 2.188 2.929 . 0 0 "[ . 1 . 2 ]" 1 1059 1 82 VAL HA 1 85 TYR QB 3.000 . 3.500 3.104 2.775 3.343 . 0 0 "[ . 1 . 2 ]" 1 1060 1 83 PHE HA 1 86 ALA MB 3.000 . 4.000 2.901 2.436 3.544 . 0 0 "[ . 1 . 2 ]" 1 1061 1 102 ILE HA 1 105 ALA MB 2.500 . 3.500 2.725 2.555 2.854 . 0 0 "[ . 1 . 2 ]" 1 1062 1 70 ALA MB 1 73 ALA MB 2.500 . 4.000 2.254 1.815 2.889 . 0 0 "[ . 1 . 2 ]" 1 1063 1 78 ASP QB 1 81 ALA MB 4.000 . 5.500 2.204 1.866 3.636 . 0 0 "[ . 1 . 2 ]" 1 1064 1 12 LEU MD1 1 14 GLY H 3.500 . 4.500 3.598 3.171 4.130 . 0 0 "[ . 1 . 2 ]" 1 1065 1 19 LEU MD1 1 21 TRP H 5.000 . 6.500 4.710 4.450 4.994 . 0 0 "[ . 1 . 2 ]" 1 1066 1 19 LEU MD2 1 21 TRP HZ2 3.500 . 4.500 2.794 2.421 3.519 . 0 0 "[ . 1 . 2 ]" 1 1067 1 19 LEU MD1 1 21 TRP HZ2 4.000 . 5.500 4.229 3.724 5.398 . 0 0 "[ . 1 . 2 ]" 1 1068 1 19 LEU MD1 1 21 TRP HE1 3.500 . 4.500 3.177 2.764 4.099 . 0 0 "[ . 1 . 2 ]" 1 1069 1 19 LEU MD2 1 21 TRP HH2 4.000 . 5.500 3.818 3.430 4.702 . 0 0 "[ . 1 . 2 ]" 1 1070 1 19 LEU MD2 1 21 TRP HE1 4.000 . 5.500 3.146 2.621 3.731 . 0 0 "[ . 1 . 2 ]" 1 1071 1 21 TRP HD1 1 23 LEU MD2 4.000 . 5.500 4.474 4.066 4.686 . 0 0 "[ . 1 . 2 ]" 1 1072 1 21 TRP HE1 1 23 LEU MD2 4.000 . 5.500 4.241 3.460 4.820 . 0 0 "[ . 1 . 2 ]" 1 1073 1 23 LEU MD1 1 25 ASP H 4.000 . 5.500 3.713 3.009 4.212 . 0 0 "[ . 1 . 2 ]" 1 1074 1 23 LEU MD1 1 25 ASP QB 4.000 . 5.500 3.556 2.862 4.050 . 0 0 "[ . 1 . 2 ]" 1 1075 1 23 LEU MD2 1 26 ASP H 4.000 . 5.500 2.848 2.424 3.190 . 0 0 "[ . 1 . 2 ]" 1 1076 1 23 LEU MD1 1 26 ASP H 4.000 . 5.500 4.186 3.777 4.446 . 0 0 "[ . 1 . 2 ]" 1 1077 1 23 LEU MD2 1 26 ASP HB3 3.000 . 4.000 3.219 2.929 3.589 . 0 0 "[ . 1 . 2 ]" 1 1078 1 23 LEU MD2 1 26 ASP HB2 3.000 . 4.000 1.983 1.916 2.117 . 0 0 "[ . 1 . 2 ]" 1 1079 1 24 PRO HA 1 27 LEU MD1 2.500 . 3.500 2.015 1.967 2.225 . 0 0 "[ . 1 . 2 ]" 1 1080 1 24 PRO QG 1 27 LEU MD1 4.000 . 5.500 4.481 4.264 4.656 . 0 0 "[ . 1 . 2 ]" 1 1081 1 27 LEU MD2 1 30 PHE QB 4.000 . 5.500 3.147 2.913 3.377 . 0 0 "[ . 1 . 2 ]" 1 1082 1 30 PHE HA 1 34 THR MG 3.500 . 4.500 3.540 3.360 3.799 . 0 0 "[ . 1 . 2 ]" 1 1083 1 30 PHE HZ 1 34 THR MG 4.000 . 5.500 3.097 2.867 3.436 . 0 0 "[ . 1 . 2 ]" 1 1084 1 38 ILE MG 1 40 VAL HA 4.000 . 5.500 4.030 3.814 4.311 . 0 0 "[ . 1 . 2 ]" 1 1085 1 39 MET ME 1 41 VAL MG1 3.000 . 4.000 2.200 1.841 2.920 . 0 0 "[ . 1 . 2 ]" 1 1086 1 39 MET ME 1 41 VAL MG2 3.500 . 4.500 2.582 2.076 3.071 . 0 0 "[ . 1 . 2 ]" 1 1087 1 39 MET QG 1 41 VAL MG1 3.500 . 4.500 2.334 2.106 2.724 . 0 0 "[ . 1 . 2 ]" 1 1088 1 41 VAL MG1 1 45 THR MG 4.000 . 5.500 2.538 2.227 2.908 . 0 0 "[ . 1 . 2 ]" 1 1089 1 41 VAL MG2 1 45 THR HB 4.000 . 5.500 3.569 3.227 3.760 . 0 0 "[ . 1 . 2 ]" 1 1090 1 41 VAL MG1 1 45 THR HB 4.000 . 5.500 3.284 3.038 3.550 . 0 0 "[ . 1 . 2 ]" 1 1091 1 41 VAL HB 1 45 THR MG 3.500 . 4.500 2.825 2.490 3.162 . 0 0 "[ . 1 . 2 ]" 1 1092 1 41 VAL HA 1 45 THR HB 4.000 . 5.000 3.657 3.238 4.121 . 0 0 "[ . 1 . 2 ]" 1 1093 1 41 VAL HA 1 45 THR MG 4.000 . 5.500 3.882 3.277 4.421 . 0 0 "[ . 1 . 2 ]" 1 1094 1 42 GLY H 1 45 THR MG 4.000 . 5.500 3.782 3.364 4.204 . 0 0 "[ . 1 . 2 ]" 1 1095 1 45 THR MG 1 49 PHE HZ 3.500 . 4.500 2.529 2.040 3.243 . 0 0 "[ . 1 . 2 ]" 1 1096 1 50 PRO QD 1 54 LEU MD1 4.000 . 5.500 4.115 3.594 4.892 . 0 0 "[ . 1 . 2 ]" 1 1097 1 51 LYS HA 1 54 LEU MD2 5.000 . 6.500 5.167 4.562 5.536 . 0 0 "[ . 1 . 2 ]" 1 1098 1 51 LYS QG 1 54 LEU MD2 4.000 . 5.500 4.613 3.739 5.272 . 0 0 "[ . 1 . 2 ]" 1 1099 1 51 LYS H 1 54 LEU MD2 3.500 . 4.500 3.659 3.006 4.003 . 0 0 "[ . 1 . 2 ]" 1 1100 1 51 LYS QB 1 54 LEU MD2 2.500 . 3.500 3.270 2.217 3.510 0.010 21 0 "[ . 1 . 2 ]" 1 1101 1 52 ARG HA 1 54 LEU MD2 4.000 . 5.500 3.893 3.521 4.477 . 0 0 "[ . 1 . 2 ]" 1 1102 1 54 LEU MD1 1 57 ARG QD 3.500 . 4.500 2.622 2.211 3.808 . 0 0 "[ . 1 . 2 ]" 1 1103 1 58 THR MG 1 60 VAL MG2 2.500 . 3.500 2.655 2.402 3.070 . 0 0 "[ . 1 . 2 ]" 1 1104 1 58 THR MG 1 60 VAL H 4.000 . 5.500 4.701 4.089 4.983 . 0 0 "[ . 1 . 2 ]" 1 1105 1 60 VAL MG1 1 62 LEU HA 5.000 . 6.500 4.398 3.988 4.833 . 0 0 "[ . 1 . 2 ]" 1 1106 1 61 VAL MG1 1 63 THR HB 3.500 . 4.500 3.153 2.842 3.407 . 0 0 "[ . 1 . 2 ]" 1 1107 1 61 VAL MG1 1 63 THR MG 3.500 . 4.500 2.731 2.235 3.294 . 0 0 "[ . 1 . 2 ]" 1 1108 1 63 THR MG 1 65 GLN H 3.500 . 4.500 2.203 1.961 3.048 . 0 0 "[ . 1 . 2 ]" 1 1109 1 63 THR MG 1 65 GLN QB 4.000 . 5.500 2.853 2.108 3.621 . 0 0 "[ . 1 . 2 ]" 1 1110 1 70 ALA HA 1 73 ALA MB 4.000 . 5.500 4.497 3.936 5.284 . 0 0 "[ . 1 . 2 ]" 1 1111 1 70 ALA MB 1 73 ALA H 4.000 . 5.500 3.248 2.580 4.529 . 0 0 "[ . 1 . 2 ]" 1 1112 1 75 VAL MG1 1 77 HIS HE1 3.500 . 4.500 2.615 1.970 3.034 . 0 0 "[ . 1 . 2 ]" 1 1113 1 76 VAL MG2 1 78 ASP H 4.000 . 5.500 3.218 2.809 3.470 . 0 0 "[ . 1 . 2 ]" 1 1114 1 76 VAL HA 1 81 ALA MB 4.000 . 5.500 4.256 3.537 4.818 . 0 0 "[ . 1 . 2 ]" 1 1115 1 77 HIS H 1 81 ALA MB 4.000 . 5.500 3.432 2.947 3.831 . 0 0 "[ . 1 . 2 ]" 1 1116 1 78 ASP QB 1 80 ALA MB 4.000 . 5.500 3.406 2.963 3.751 . 0 0 "[ . 1 . 2 ]" 1 1117 1 78 ASP H 1 81 ALA MB 3.000 . 4.000 3.150 2.838 3.451 . 0 0 "[ . 1 . 2 ]" 1 1118 1 78 ASP H 1 82 VAL MG2 4.000 . 5.000 3.422 3.331 3.539 . 0 0 "[ . 1 . 2 ]" 1 1119 1 79 VAL HA 1 82 VAL MG2 3.500 . 4.500 2.478 2.197 3.064 . 0 0 "[ . 1 . 2 ]" 1 1120 1 79 VAL HA 1 82 VAL MG1 5.000 . 6.500 4.355 4.017 4.876 . 0 0 "[ . 1 . 2 ]" 1 1121 1 94 LEU HG 1 96 ILE MD 3.000 . 4.000 2.799 2.490 3.094 . 0 0 "[ . 1 . 2 ]" 1 1122 1 96 ILE MG 1 98 GLY H 3.500 . 4.500 2.752 2.512 3.215 . 0 0 "[ . 1 . 2 ]" 1 1123 1 98 GLY H 1 102 ILE MG 4.000 . 5.500 3.616 3.436 3.833 . 0 0 "[ . 1 . 2 ]" 1 1124 1 99 GLY H 1 102 ILE MG 4.000 . 5.500 4.175 3.863 4.704 . 0 0 "[ . 1 . 2 ]" 1 1125 1 101 GLN HA 1 104 THR MG 3.500 . 4.500 4.478 4.357 4.507 0.007 4 0 "[ . 1 . 2 ]" 1 1126 1 102 ILE MD 1 105 ALA MB 3.500 . 4.500 3.570 3.421 3.718 . 0 0 "[ . 1 . 2 ]" 1 1127 1 102 ILE MG 1 105 ALA MB 4.000 . 5.500 3.241 3.085 3.410 . 0 0 "[ . 1 . 2 ]" 1 1128 1 105 ALA MB 1 107 LYS H 5.000 . 6.500 4.409 4.333 4.511 . 0 0 "[ . 1 . 2 ]" 1 1129 1 112 THR MG 1 114 LEU HG 3.500 . 4.500 2.469 1.974 2.884 . 0 0 "[ . 1 . 2 ]" 1 1130 1 112 THR MG 1 114 LEU MD2 3.500 . 4.500 3.054 2.528 3.861 . 0 0 "[ . 1 . 2 ]" 1 1131 1 116 THR HB 1 118 LEU MD1 3.500 . 4.500 3.163 2.832 4.191 . 0 0 "[ . 1 . 2 ]" 1 1132 1 116 THR MG 1 118 LEU MD1 2.500 . 3.500 2.539 2.158 3.511 0.011 13 0 "[ . 1 . 2 ]" 1 1133 1 116 THR MG 1 118 LEU HG 4.000 . 5.500 3.829 3.383 4.268 . 0 0 "[ . 1 . 2 ]" 1 1134 1 116 THR MG 1 118 LEU HA 4.000 . 5.500 4.106 3.827 4.323 . 0 0 "[ . 1 . 2 ]" 1 1135 1 116 THR MG 1 118 LEU H 4.000 . 5.500 4.597 4.089 4.897 . 0 0 "[ . 1 . 2 ]" 1 1136 1 118 LEU MD2 1 120 GLY H 5.000 . 6.500 3.667 2.377 4.030 . 0 0 "[ . 1 . 2 ]" 1 1137 1 118 LEU MD2 1 122 PHE HZ 3.500 . 4.500 3.560 3.056 4.148 . 0 0 "[ . 1 . 2 ]" 1 1138 1 128 MET QG 1 131 LEU MD1 3.500 . 4.500 2.872 2.221 3.619 . 0 0 "[ . 1 . 2 ]" 1 1139 1 128 MET ME 1 131 LEU MD1 2.500 . 3.500 2.265 1.934 2.744 . 0 0 "[ . 1 . 2 ]" 1 1140 1 128 MET ME 1 131 LEU HG 4.000 . 5.500 3.908 3.209 4.452 . 0 0 "[ . 1 . 2 ]" 1 1141 1 128 MET ME 1 131 LEU MD2 3.500 . 4.500 3.490 2.196 4.191 . 0 0 "[ . 1 . 2 ]" 1 1142 1 129 ILE MD 1 131 LEU MD2 2.500 . 3.500 2.180 1.903 3.395 . 0 0 "[ . 1 . 2 ]" 1 1143 1 129 ILE QG 1 131 LEU MD2 3.000 . 4.000 2.996 2.567 3.420 . 0 0 "[ . 1 . 2 ]" 1 1144 1 129 ILE MD 1 131 LEU MD1 4.000 . 5.000 3.255 2.869 4.832 . 0 0 "[ . 1 . 2 ]" 1 1145 1 129 ILE MD 1 131 LEU HG 4.000 . 5.500 2.990 2.574 4.331 . 0 0 "[ . 1 . 2 ]" 1 1146 1 129 ILE QG 1 131 LEU MD1 3.500 . 4.500 2.825 2.025 3.880 . 0 0 "[ . 1 . 2 ]" 1 1147 1 131 LEU MD1 1 133 TRP HE1 4.000 . 5.500 4.306 3.325 4.783 . 0 0 "[ . 1 . 2 ]" 1 1148 1 131 LEU MD1 1 133 TRP HZ2 2.500 . 3.500 3.192 2.436 3.504 0.004 8 0 "[ . 1 . 2 ]" 1 1149 1 131 LEU MD1 1 133 TRP HH2 4.000 . 5.500 3.958 3.352 4.412 . 0 0 "[ . 1 . 2 ]" 1 1150 1 143 THR MG 1 145 GLU HA 4.000 . 5.500 4.556 4.232 5.090 . 0 0 "[ . 1 . 2 ]" 1 1151 1 143 THR MG 1 145 GLU QG 4.000 . 5.500 3.930 2.923 5.207 . 0 0 "[ . 1 . 2 ]" 1 1152 1 148 ASN HB3 1 151 LEU MD1 4.000 . 5.500 3.599 2.241 4.096 . 0 0 "[ . 1 . 2 ]" 1 1153 1 148 ASN HB2 1 151 LEU MD1 4.000 . 5.500 2.265 1.960 2.674 . 0 0 "[ . 1 . 2 ]" 1 1154 1 148 ASN H 1 151 LEU MD1 4.000 . 5.500 3.094 2.686 3.747 . 0 0 "[ . 1 . 2 ]" 1 1155 1 154 THR MG 1 156 GLU QG 2.500 . 3.500 2.857 2.295 3.505 0.005 17 0 "[ . 1 . 2 ]" 1 1156 1 24 PRO HA 1 27 LEU QB 2.500 . 3.000 2.671 2.452 2.954 . 0 0 "[ . 1 . 2 ]" 1 1157 1 25 ASP HA 1 28 HIS QB 3.500 . 4.000 3.353 2.990 3.758 . 0 0 "[ . 1 . 2 ]" 1 1158 1 26 ASP HA 1 29 TYR QB 3.000 . 3.500 3.028 2.842 3.213 . 0 0 "[ . 1 . 2 ]" 1 1159 1 27 LEU HA 1 30 PHE QB 2.500 . 3.000 2.624 2.370 2.833 . 0 0 "[ . 1 . 2 ]" 1 1160 1 28 HIS HA 1 31 ARG QB 3.000 . 3.500 3.143 2.984 3.351 . 0 0 "[ . 1 . 2 ]" 1 1161 1 30 PHE HA 1 33 GLN QB 3.000 . 3.500 2.964 2.765 3.477 . 0 0 "[ . 1 . 2 ]" 1 1162 1 34 THR HA 1 37 LYS QB 2.500 . 3.000 2.806 2.528 3.007 0.007 17 0 "[ . 1 . 2 ]" 1 1163 1 43 ARG HA 1 46 TYR QB 2.500 . 3.000 2.511 2.327 2.725 . 0 0 "[ . 1 . 2 ]" 1 1164 1 44 ARG HA 1 47 GLU QB 3.000 . 3.500 3.280 2.636 3.512 0.012 1 0 "[ . 1 . 2 ]" 1 1165 1 45 THR HA 1 48 SER QB 3.500 . 4.000 2.606 2.187 4.002 0.002 9 0 "[ . 1 . 2 ]" 1 1166 1 46 TYR HA 1 49 PHE QB 4.000 . 5.000 4.085 3.711 4.473 . 0 0 "[ . 1 . 2 ]" 1 1167 1 84 ALA HA 1 87 LYS QB 4.000 . 5.000 2.606 2.209 2.975 . 0 0 "[ . 1 . 2 ]" 1 1168 1 85 TYR HA 1 88 GLN QB 3.500 . 4.000 3.043 2.715 3.674 . 0 0 "[ . 1 . 2 ]" 1 1169 1 86 ALA HA 1 89 HIS QB 3.500 . 4.000 3.090 2.179 3.341 . 0 0 "[ . 1 . 2 ]" 1 1170 1 103 PHE HA 1 106 PHE QB 4.000 . 5.000 3.409 3.207 3.713 . 0 0 "[ . 1 . 2 ]" 1 1171 1 104 THR HA 1 107 LYS QB 3.500 . 4.000 2.340 2.112 2.756 . 0 0 "[ . 1 . 2 ]" 1 1172 1 10 ASP QB 1 12 LEU QB 4.000 . 5.000 3.203 3.052 3.536 . 0 0 "[ . 1 . 2 ]" 1 1173 1 63 THR HB 1 65 GLN QB 4.000 . 5.000 4.644 4.283 5.017 0.017 21 0 "[ . 1 . 2 ]" 1 1174 1 148 ASN QB 1 151 LEU QB 4.000 . 5.000 2.574 2.215 2.891 . 0 0 "[ . 1 . 2 ]" 1 1175 1 3 PHE QB 1 5 TRP HZ3 2.500 . 3.000 1.939 1.909 1.958 . 0 0 "[ . 1 . 2 ]" 1 1176 1 3 PHE QB 1 5 TRP HE3 2.500 . 3.000 2.743 2.585 2.923 . 0 0 "[ . 1 . 2 ]" 1 1177 1 5 TRP HD1 1 7 GLN QB 2.500 . 3.000 2.767 2.639 2.952 . 0 0 "[ . 1 . 2 ]" 1 1178 1 5 TRP HD1 1 7 GLN QG 3.500 . 4.000 3.472 3.276 3.794 . 0 0 "[ . 1 . 2 ]" 1 1179 1 5 TRP HE1 1 7 GLN QG 2.500 . 3.000 2.747 2.265 2.995 . 0 0 "[ . 1 . 2 ]" 1 1180 1 5 TRP HE1 1 7 GLN QB 3.000 . 3.500 3.194 2.947 3.491 . 0 0 "[ . 1 . 2 ]" 1 1181 1 7 GLN QB 1 11 GLY H 4.000 . 5.000 3.866 3.522 4.122 . 0 0 "[ . 1 . 2 ]" 1 1182 1 7 GLN QB 1 11 GLY QA 4.000 . 5.000 2.715 2.314 3.290 . 0 0 "[ . 1 . 2 ]" 1 1183 1 8 ASP H 1 12 LEU QB 4.000 . 5.000 3.860 3.687 4.198 . 0 0 "[ . 1 . 2 ]" 1 1184 1 10 ASP QB 1 12 LEU H 4.000 . 5.000 3.072 2.678 3.549 . 0 0 "[ . 1 . 2 ]" 1 1185 1 15 LYS QB 1 18 HIS HE1 4.000 . 5.000 3.201 2.712 3.791 . 0 0 "[ . 1 . 2 ]" 1 1186 1 15 LYS QD 1 18 HIS HE1 4.000 . 5.000 3.417 1.992 4.545 . 0 0 "[ . 1 . 2 ]" 1 1187 1 15 LYS QG 1 18 HIS HE1 4.000 . 5.000 3.629 3.189 4.275 . 0 0 "[ . 1 . 2 ]" 1 1188 1 16 ASP QB 1 18 HIS HD2 3.500 . 4.000 2.897 2.583 3.228 . 0 0 "[ . 1 . 2 ]" 1 1189 1 16 ASP QB 1 18 HIS HE1 5.000 . 6.000 3.269 3.071 3.400 . 0 0 "[ . 1 . 2 ]" 1 1190 1 19 LEU QB 1 21 TRP H 2.500 . 3.000 2.778 2.525 2.997 . 0 0 "[ . 1 . 2 ]" 1 1191 1 19 LEU QB 1 21 TRP HE1 4.000 . 5.000 3.843 3.585 4.228 . 0 0 "[ . 1 . 2 ]" 1 1192 1 19 LEU QB 1 21 TRP HD1 4.000 . 5.000 4.047 3.887 4.145 . 0 0 "[ . 1 . 2 ]" 1 1193 1 21 TRP HD1 1 23 LEU QB 2.500 . 3.000 2.654 2.398 2.923 . 0 0 "[ . 1 . 2 ]" 1 1194 1 21 TRP HE1 1 23 LEU QB 3.500 . 4.000 3.326 2.888 3.819 . 0 0 "[ . 1 . 2 ]" 1 1195 1 22 HIS HE1 1 24 PRO QG 5.000 . 6.000 5.519 4.952 5.984 . 0 0 "[ . 1 . 2 ]" 1 1196 1 22 HIS HD2 1 24 PRO QG 4.000 . 5.000 3.148 2.491 3.919 . 0 0 "[ . 1 . 2 ]" 1 1197 1 22 HIS HD2 1 24 PRO QD 4.000 . 5.000 2.987 2.175 3.725 . 0 0 "[ . 1 . 2 ]" 1 1198 1 23 LEU QB 1 26 ASP H 4.000 . 5.000 3.024 2.678 3.307 . 0 0 "[ . 1 . 2 ]" 1 1199 1 23 LEU HG 1 26 ASP QB 3.500 . 4.000 3.284 2.899 3.641 . 0 0 "[ . 1 . 2 ]" 1 1200 1 24 PRO QB 1 28 HIS HE1 4.000 . 5.000 4.263 3.502 4.789 . 0 0 "[ . 1 . 2 ]" 1 1201 1 25 ASP QB 1 28 HIS HD2 3.500 . 4.000 3.965 3.873 4.004 0.004 5 0 "[ . 1 . 2 ]" 1 1202 1 30 PHE HA 1 33 GLN QG 4.000 . 5.000 3.964 3.664 4.987 . 0 0 "[ . 1 . 2 ]" 1 1203 1 43 ARG QG 1 47 GLU QG 4.000 . 5.000 3.637 2.630 4.941 . 0 0 "[ . 1 . 2 ]" 1 1204 1 49 PHE QB 1 51 LYS H 3.000 . 3.500 3.483 3.183 3.508 0.008 2 0 "[ . 1 . 2 ]" 1 1205 1 49 PHE H 1 52 ARG QD 4.000 . 5.000 3.643 2.643 4.316 . 0 0 "[ . 1 . 2 ]" 1 1206 1 49 PHE H 1 52 ARG QG 4.000 . 5.000 3.892 3.599 4.615 . 0 0 "[ . 1 . 2 ]" 1 1207 1 51 LYS QB 1 55 PRO QD 3.500 . 4.000 3.859 2.897 4.011 0.011 1 0 "[ . 1 . 2 ]" 1 1208 1 54 LEU QB 1 57 ARG HE 4.000 . 5.000 2.955 2.069 3.442 . 0 0 "[ . 1 . 2 ]" 1 1209 1 65 GLN QG 1 67 ASP H 3.500 . 4.000 2.281 1.994 3.416 . 0 0 "[ . 1 . 2 ]" 1 1210 1 65 GLN QB 1 68 TYR H 4.000 . 5.000 3.391 2.601 4.194 . 0 0 "[ . 1 . 2 ]" 1 1211 1 65 GLN QB 1 68 TYR QB 3.500 . 4.000 3.046 1.974 3.416 . 0 0 "[ . 1 . 2 ]" 1 1212 1 65 GLN QG 1 68 TYR H 3.500 . 4.000 3.455 2.445 3.989 . 0 0 "[ . 1 . 2 ]" 1 1213 1 65 GLN QG 1 68 TYR HA 5.000 . 6.000 5.111 4.067 5.902 . 0 0 "[ . 1 . 2 ]" 1 1214 1 78 ASP QB 1 80 ALA H 3.500 . 4.000 3.324 2.650 3.759 . 0 0 "[ . 1 . 2 ]" 1 1215 1 78 ASP QB 1 81 ALA H 4.000 . 5.000 2.374 2.139 3.192 . 0 0 "[ . 1 . 2 ]" 1 1216 1 84 ALA HA 1 87 LYS QD 4.000 . 5.000 3.654 2.062 4.809 . 0 0 "[ . 1 . 2 ]" 1 1217 1 98 GLY QA 1 102 ILE HB 3.500 . 4.000 3.000 2.856 3.190 . 0 0 "[ . 1 . 2 ]" 1 1218 1 99 GLY H 1 102 ILE QG 3.500 . 4.000 2.074 1.865 2.435 . 0 0 "[ . 1 . 2 ]" 1 1219 1 101 GLN QG 1 104 THR HB 4.000 . 5.000 4.531 3.925 5.001 0.001 20 0 "[ . 1 . 2 ]" 1 1220 1 104 THR HA 1 107 LYS QD 4.000 . 5.000 3.176 2.770 3.820 . 0 0 "[ . 1 . 2 ]" 1 1221 1 118 LEU QB 1 120 GLY H 3.000 . 3.500 3.058 2.878 3.315 . 0 0 "[ . 1 . 2 ]" 1 1222 1 118 LEU QB 1 122 PHE HZ 4.000 . 5.000 4.795 4.381 4.996 . 0 0 "[ . 1 . 2 ]" 1 1223 1 120 GLY QA 1 122 PHE HZ 4.000 . 5.000 3.017 2.746 3.466 . 0 0 "[ . 1 . 2 ]" 1 1224 1 124 GLY QA 1 126 THR H 4.000 . 5.000 3.701 3.509 3.923 . 0 0 "[ . 1 . 2 ]" 1 1225 1 128 MET QG 1 131 LEU HG 4.000 . 5.000 4.092 3.502 5.008 0.008 21 0 "[ . 1 . 2 ]" 1 1226 1 129 ILE QG 1 131 LEU HG 3.500 . 4.000 2.394 2.059 3.268 . 0 0 "[ . 1 . 2 ]" 1 1227 1 131 LEU QB 1 133 TRP H 5.000 . 6.000 4.855 4.268 5.139 . 0 0 "[ . 1 . 2 ]" 1 1228 1 131 LEU QB 1 133 TRP HD1 4.000 . 5.000 4.547 4.036 4.982 . 0 0 "[ . 1 . 2 ]" 1 1229 1 132 ASN QB 1 135 ASP H 4.000 . 5.000 3.492 3.200 3.718 . 0 0 "[ . 1 . 2 ]" 1 1230 1 138 LYS QG 1 140 SER H 3.500 . 4.000 3.368 2.853 3.950 . 0 0 "[ . 1 . 2 ]" 1 1231 1 138 LYS QD 1 141 SER QB 4.000 . 5.000 2.813 1.895 3.728 . 0 0 "[ . 1 . 2 ]" 1 1232 1 138 LYS QE 1 141 SER QB 3.500 . 4.000 2.757 2.018 3.861 . 0 0 "[ . 1 . 2 ]" 1 1233 1 138 LYS QG 1 141 SER QB 4.000 . 5.000 2.858 2.505 3.342 . 0 0 "[ . 1 . 2 ]" 1 1234 1 146 ASP QB 1 148 ASN H 4.000 . 5.000 2.544 2.337 3.065 . 0 0 "[ . 1 . 2 ]" 1 1235 1 148 ASN QB 1 151 LEU H 3.500 . 4.000 2.753 2.488 3.674 . 0 0 "[ . 1 . 2 ]" 1 1236 1 148 ASN QB 1 151 LEU HG 3.500 . 4.000 3.065 2.509 3.707 . 0 0 "[ . 1 . 2 ]" 1 1237 1 156 GLU QG 1 158 TRP HE1 4.000 . 5.000 3.375 2.515 3.908 . 0 0 "[ . 1 . 2 ]" 1 1238 1 10 ASP H 1 12 LEU H 4.000 . 5.000 4.182 3.895 4.409 . 0 0 "[ . 1 . 2 ]" 1 1239 1 26 ASP H 1 28 HIS H 4.000 . 5.000 4.154 4.044 4.262 . 0 0 "[ . 1 . 2 ]" 1 1240 1 28 HIS H 1 30 PHE H 4.000 . 5.000 3.995 3.888 4.118 . 0 0 "[ . 1 . 2 ]" 1 1241 1 46 TYR H 1 48 SER H 4.000 . 5.000 3.911 3.747 4.198 . 0 0 "[ . 1 . 2 ]" 1 1242 1 80 ALA H 1 82 VAL H 4.000 . 5.000 4.195 4.090 4.479 . 0 0 "[ . 1 . 2 ]" 1 1243 1 82 VAL H 1 84 ALA H 4.000 . 5.000 4.073 3.902 4.313 . 0 0 "[ . 1 . 2 ]" 1 1244 1 87 LYS H 1 89 HIS H 4.000 . 5.000 4.020 3.886 4.245 . 0 0 "[ . 1 . 2 ]" 1 1245 1 103 PHE H 1 105 ALA H 4.000 . 5.000 4.080 4.023 4.157 . 0 0 "[ . 1 . 2 ]" 1 1246 1 105 ALA H 1 107 LYS H 4.000 . 5.000 4.388 4.185 4.838 . 0 0 "[ . 1 . 2 ]" 1 1247 1 107 LYS H 1 109 ASP H 4.000 . 5.000 4.113 3.675 4.559 . 0 0 "[ . 1 . 2 ]" 1 1248 1 108 ASP H 1 110 VAL H 5.000 . 6.000 5.632 5.015 5.997 . 0 0 "[ . 1 . 2 ]" 1 1249 1 15 LYS H 1 18 HIS H 3.500 . 4.000 3.813 2.371 3.989 . 0 0 "[ . 1 . 2 ]" 1 1250 1 78 ASP H 1 81 ALA H 4.000 . 5.000 4.449 4.217 4.621 . 0 0 "[ . 1 . 2 ]" 1 1251 1 86 ALA H 1 89 HIS H 5.000 . 6.000 4.907 4.581 5.500 . 0 0 "[ . 1 . 2 ]" 1 1252 1 8 ASP H 1 12 LEU H 4.000 . 5.000 2.800 2.357 3.990 . 0 0 "[ . 1 . 2 ]" 1 1253 1 9 ARG HA 1 11 GLY H 5.000 . 6.000 4.503 4.144 5.179 . 0 0 "[ . 1 . 2 ]" 1 1254 1 19 LEU HA 1 21 TRP H 4.000 . 5.000 4.158 4.024 4.366 . 0 0 "[ . 1 . 2 ]" 1 1255 1 24 PRO HA 1 26 ASP H 4.000 . 5.000 4.247 4.075 4.548 . 0 0 "[ . 1 . 2 ]" 1 1256 1 26 ASP HA 1 28 HIS H 4.000 . 5.000 4.118 3.969 4.287 . 0 0 "[ . 1 . 2 ]" 1 1257 1 35 VAL HA 1 37 LYS H 3.500 . 4.000 3.621 3.447 3.864 . 0 0 "[ . 1 . 2 ]" 1 1258 1 44 ARG HA 1 46 TYR H 4.000 . 5.000 4.460 4.261 4.936 . 0 0 "[ . 1 . 2 ]" 1 1259 1 46 TYR HA 1 48 SER H 4.000 . 5.000 4.130 3.716 4.289 . 0 0 "[ . 1 . 2 ]" 1 1260 1 47 GLU HA 1 49 PHE H 4.000 . 5.000 3.848 3.394 4.053 . 0 0 "[ . 1 . 2 ]" 1 1261 1 49 PHE HA 1 51 LYS H 4.000 . 5.000 4.667 4.504 4.862 . 0 0 "[ . 1 . 2 ]" 1 1262 1 55 PRO HA 1 57 ARG H 3.500 . 4.000 3.298 3.170 3.387 . 0 0 "[ . 1 . 2 ]" 1 1263 1 65 GLN HA 1 67 ASP H 4.000 . 5.000 3.912 3.431 4.624 . 0 0 "[ . 1 . 2 ]" 1 1264 1 66 GLU HA 1 68 TYR H 4.000 . 5.000 3.981 3.559 4.520 . 0 0 "[ . 1 . 2 ]" 1 1265 1 71 GLN HA 1 73 ALA H 3.500 . 4.000 3.778 3.203 4.008 0.008 3 0 "[ . 1 . 2 ]" 1 1266 1 76 VAL HA 1 78 ASP H 4.000 . 5.000 4.399 4.210 4.619 . 0 0 "[ . 1 . 2 ]" 1 1267 1 79 VAL HA 1 81 ALA H 4.000 . 5.000 4.212 4.101 4.290 . 0 0 "[ . 1 . 2 ]" 1 1268 1 82 VAL HA 1 84 ALA H 4.000 . 5.000 4.410 4.263 4.738 . 0 0 "[ . 1 . 2 ]" 1 1269 1 87 LYS HA 1 89 HIS H 4.000 . 5.000 4.113 3.732 4.288 . 0 0 "[ . 1 . 2 ]" 1 1270 1 89 HIS HA 1 91 ASP H 4.000 . 5.000 3.492 3.326 3.816 . 0 0 "[ . 1 . 2 ]" 1 1271 1 96 ILE HA 1 98 GLY H 4.000 . 5.000 3.731 3.644 3.981 . 0 0 "[ . 1 . 2 ]" 1 1272 1 107 LYS HA 1 109 ASP H 4.000 . 5.000 3.908 3.664 4.520 . 0 0 "[ . 1 . 2 ]" 1 1273 1 106 PHE HA 1 108 ASP H 5.000 . 6.000 3.628 3.519 4.034 . 0 0 "[ . 1 . 2 ]" 1 1274 1 108 ASP HA 1 110 VAL H 4.000 . 5.000 4.484 3.744 4.795 . 0 0 "[ . 1 . 2 ]" 1 1275 1 118 LEU HA 1 120 GLY H 4.000 . 5.000 4.588 4.158 4.826 . 0 0 "[ . 1 . 2 ]" 1 1276 1 132 ASN HA 1 134 ASP H 4.000 . 5.000 3.588 3.391 3.775 . 0 0 "[ . 1 . 2 ]" 1 1277 1 133 TRP HA 1 135 ASP H 3.500 . 4.000 3.854 3.694 3.991 . 0 0 "[ . 1 . 2 ]" 1 1278 1 138 LYS HA 1 140 SER H 4.000 . 5.000 4.091 3.683 4.666 . 0 0 "[ . 1 . 2 ]" 1 1279 1 148 ASN HA 1 150 ALA H 4.000 . 5.000 4.224 4.079 4.322 . 0 0 "[ . 1 . 2 ]" 1 1280 1 150 ALA HA 1 152 THR H 4.000 . 5.000 3.615 3.524 3.776 . 0 0 "[ . 1 . 2 ]" 1 1281 1 24 PRO HA 1 27 LEU H 3.500 . 4.000 3.306 3.186 3.507 . 0 0 "[ . 1 . 2 ]" 1 1282 1 25 ASP HA 1 28 HIS H 3.500 . 4.000 3.515 3.360 3.681 . 0 0 "[ . 1 . 2 ]" 1 1283 1 26 ASP HA 1 29 TYR H 3.500 . 4.000 3.372 3.203 3.521 . 0 0 "[ . 1 . 2 ]" 1 1284 1 27 LEU HA 1 30 PHE H 3.500 . 4.000 3.306 3.174 3.419 . 0 0 "[ . 1 . 2 ]" 1 1285 1 29 TYR HA 1 32 ALA H 3.500 . 4.000 3.358 3.230 3.467 . 0 0 "[ . 1 . 2 ]" 1 1286 1 30 PHE HA 1 33 GLN H 3.500 . 4.000 3.395 3.283 3.616 . 0 0 "[ . 1 . 2 ]" 1 1287 1 31 ARG HA 1 34 THR H 4.000 . 5.000 4.250 4.140 4.341 . 0 0 "[ . 1 . 2 ]" 1 1288 1 32 ALA HA 1 35 VAL H 4.000 . 5.000 4.040 3.942 4.248 . 0 0 "[ . 1 . 2 ]" 1 1289 1 43 ARG HA 1 46 TYR H 3.500 . 4.000 3.329 3.164 3.601 . 0 0 "[ . 1 . 2 ]" 1 1290 1 44 ARG HA 1 47 GLU H 3.500 . 4.000 3.832 3.575 4.006 0.006 4 0 "[ . 1 . 2 ]" 1 1291 1 45 THR HA 1 48 SER H 3.500 . 4.000 3.248 3.094 3.484 . 0 0 "[ . 1 . 2 ]" 1 1292 1 79 VAL HA 1 82 VAL H 3.500 . 4.000 3.400 3.215 3.645 . 0 0 "[ . 1 . 2 ]" 1 1293 1 80 ALA HA 1 83 PHE H 4.000 . 5.000 3.442 3.271 3.604 . 0 0 "[ . 1 . 2 ]" 1 1294 1 81 ALA HA 1 84 ALA H 3.500 . 4.000 3.271 3.178 3.528 . 0 0 "[ . 1 . 2 ]" 1 1295 1 82 VAL HA 1 85 TYR H 3.500 . 4.000 3.648 3.471 3.797 . 0 0 "[ . 1 . 2 ]" 1 1296 1 83 PHE HA 1 86 ALA H 3.500 . 4.000 3.417 3.227 3.929 . 0 0 "[ . 1 . 2 ]" 1 1297 1 84 ALA HA 1 87 LYS H 3.500 . 4.000 3.367 3.186 3.566 . 0 0 "[ . 1 . 2 ]" 1 1298 1 86 ALA HA 1 89 HIS H 3.500 . 4.000 3.359 3.116 3.699 . 0 0 "[ . 1 . 2 ]" 1 1299 1 101 GLN HA 1 104 THR H 3.500 . 4.000 3.651 3.529 3.821 . 0 0 "[ . 1 . 2 ]" 1 1300 1 102 ILE HA 1 105 ALA H 3.500 . 4.000 3.366 3.259 3.459 . 0 0 "[ . 1 . 2 ]" 1 1301 1 103 PHE HA 1 106 PHE H 3.500 . 4.000 3.468 3.306 3.637 . 0 0 "[ . 1 . 2 ]" 1 1302 1 104 THR HA 1 107 LYS H 4.000 . 5.000 3.981 3.740 4.548 . 0 0 "[ . 1 . 2 ]" 1 1303 1 107 LYS HA 1 110 VAL H 5.000 . 6.000 5.645 4.815 6.007 0.007 7 0 "[ . 1 . 2 ]" 1 1304 1 133 TRP HA 1 136 PHE H 4.000 . 5.000 4.115 3.840 4.323 . 0 0 "[ . 1 . 2 ]" 1 1305 1 148 ASN HA 1 151 LEU H 5.000 . 6.000 4.769 4.410 5.429 . 0 0 "[ . 1 . 2 ]" 1 1306 1 149 PRO HA 1 152 THR H 4.000 . 5.000 4.220 3.536 5.011 0.011 14 0 "[ . 1 . 2 ]" 1 1307 1 24 PRO HA 1 28 HIS H 4.000 . 5.000 4.684 4.319 5.001 0.001 20 0 "[ . 1 . 2 ]" 1 1308 1 26 ASP HA 1 30 PHE H 4.000 . 5.000 4.448 4.241 4.758 . 0 0 "[ . 1 . 2 ]" 1 1309 1 27 LEU HA 1 31 ARG H 4.000 . 5.000 4.339 3.969 4.644 . 0 0 "[ . 1 . 2 ]" 1 1310 1 28 HIS HA 1 32 ALA H 4.000 . 5.000 4.634 4.339 4.988 . 0 0 "[ . 1 . 2 ]" 1 1311 1 29 TYR HA 1 33 GLN H 4.000 . 5.000 4.407 4.138 4.648 . 0 0 "[ . 1 . 2 ]" 1 1312 1 81 ALA HA 1 85 TYR H 4.000 . 5.000 4.227 3.876 4.465 . 0 0 "[ . 1 . 2 ]" 1 1313 1 82 VAL HA 1 86 ALA H 4.000 . 5.000 4.710 4.243 5.002 0.002 19 0 "[ . 1 . 2 ]" 1 1314 1 83 PHE HA 1 87 LYS H 4.000 . 5.000 4.272 3.740 4.821 . 0 0 "[ . 1 . 2 ]" 1 1315 1 79 VAL HA 1 82 VAL HB 3.500 . 4.000 3.151 2.708 3.655 . 0 0 "[ . 1 . 2 ]" 1 1316 1 100 ALA HA 1 103 PHE HB2 4.000 . 5.000 2.553 2.289 2.785 . 0 0 "[ . 1 . 2 ]" 1 1317 1 100 ALA HA 1 103 PHE HB3 4.000 . 5.000 4.175 3.936 4.407 . 0 0 "[ . 1 . 2 ]" 1 1318 1 101 GLN HA 1 104 THR HB 3.500 . 4.000 3.387 3.203 3.552 . 0 0 "[ . 1 . 2 ]" 1 1319 1 41 VAL HB 1 45 THR HB 3.500 . 4.000 2.038 1.993 2.310 . 0 0 "[ . 1 . 2 ]" 1 1320 1 3 PHE HA 1 5 TRP HE3 4.000 . 5.000 4.202 4.007 4.301 . 0 0 "[ . 1 . 2 ]" 1 1321 1 3 PHE H 1 5 TRP HZ3 4.000 . 5.000 4.414 4.269 4.619 . 0 0 "[ . 1 . 2 ]" 1 1322 1 5 TRP HD1 1 7 GLN HA 4.000 . 5.000 4.546 4.352 4.781 . 0 0 "[ . 1 . 2 ]" 1 1323 1 5 TRP HD1 1 7 GLN H 4.000 . 5.000 4.617 4.332 4.935 . 0 0 "[ . 1 . 2 ]" 1 1324 1 5 TRP HE1 1 7 GLN HA 5.000 . 6.000 5.625 5.356 5.977 . 0 0 "[ . 1 . 2 ]" 1 1325 1 12 LEU HG 1 14 GLY H 3.500 . 4.000 2.381 2.038 2.662 . 0 0 "[ . 1 . 2 ]" 1 1326 1 15 LYS H 1 19 LEU HA 4.000 . 5.000 3.175 2.900 3.632 . 0 0 "[ . 1 . 2 ]" 1 1327 1 18 HIS HE1 1 20 PRO HA 4.000 . 5.000 4.032 3.702 4.324 . 0 0 "[ . 1 . 2 ]" 1 1328 1 21 TRP HD1 1 23 LEU H 3.000 . 3.500 2.502 2.142 2.919 . 0 0 "[ . 1 . 2 ]" 1 1329 1 21 TRP HD1 1 23 LEU HG 5.000 . 6.000 5.613 5.326 5.941 . 0 0 "[ . 1 . 2 ]" 1 1330 1 22 HIS HD2 1 24 PRO HA 5.000 . 6.000 5.416 4.656 5.985 . 0 0 "[ . 1 . 2 ]" 1 1331 1 23 LEU HG 1 26 ASP H 2.500 . 3.000 2.547 2.058 2.915 . 0 0 "[ . 1 . 2 ]" 1 1332 1 24 PRO HA 1 27 LEU HG 4.000 . 5.000 3.555 3.007 3.984 . 0 0 "[ . 1 . 2 ]" 1 1333 1 24 PRO HA 1 28 HIS HE1 5.000 . 6.000 5.464 4.672 5.998 . 0 0 "[ . 1 . 2 ]" 1 1334 1 25 ASP HA 1 28 HIS HD2 2.500 . 3.000 2.018 1.996 2.079 . 0 0 "[ . 1 . 2 ]" 1 1335 1 42 GLY H 1 45 THR HB 4.000 . 5.000 2.540 2.189 2.948 . 0 0 "[ . 1 . 2 ]" 1 1336 1 46 TYR HA 1 49 PHE HZ 4.000 . 5.000 4.359 3.668 4.767 . 0 0 "[ . 1 . 2 ]" 1 1337 1 55 PRO HA 1 57 ARG HE 5.000 . 6.000 4.569 3.830 4.799 . 0 0 "[ . 1 . 2 ]" 1 1338 1 76 VAL HB 1 78 ASP H 3.000 . 3.500 2.811 2.734 2.884 . 0 0 "[ . 1 . 2 ]" 1 1339 1 98 GLY H 1 102 ILE HB 4.000 . 5.000 3.715 3.509 3.947 . 0 0 "[ . 1 . 2 ]" 1 1340 1 99 GLY H 1 102 ILE HB 3.500 . 4.000 3.252 2.940 3.756 . 0 0 "[ . 1 . 2 ]" 1 1341 1 104 THR HA 1 107 LYS HA 5.000 . 6.000 4.504 4.286 4.811 . 0 0 "[ . 1 . 2 ]" 1 1342 1 110 VAL MG1 1 113 LEU MD1 4.000 . 7.000 3.482 3.205 3.863 . 0 0 "[ . 1 . 2 ]" 1 1343 1 130 PRO HA 1 133 TRP HE1 5.000 . 6.000 4.749 4.056 5.633 . 0 0 "[ . 1 . 2 ]" 1 1344 1 131 LEU H 1 133 TRP HE1 3.500 . 4.000 3.436 2.858 3.935 . 0 0 "[ . 1 . 2 ]" 1 1345 1 131 LEU HG 1 133 TRP HE1 5.000 . 6.000 5.419 4.872 5.801 . 0 0 "[ . 1 . 2 ]" 1 1346 1 131 LEU HB3 1 133 TRP HE1 4.000 . 6.000 4.824 3.809 5.612 . 0 0 "[ . 1 . 2 ]" 1 1347 1 131 LEU HB2 1 133 TRP HE1 4.000 . 6.000 3.344 2.543 3.994 . 0 0 "[ . 1 . 2 ]" 1 1348 1 156 GLU HB3 1 158 TRP HD1 3.000 . 3.500 2.911 2.449 3.395 . 0 0 "[ . 1 . 2 ]" 1 1349 1 156 GLU HB2 1 158 TRP HD1 3.000 . 3.500 3.405 3.213 3.511 0.011 5 0 "[ . 1 . 2 ]" 1 1350 1 156 GLU HA 1 158 TRP HE1 4.000 . 5.000 4.553 4.446 4.797 . 0 0 "[ . 1 . 2 ]" 1 1351 1 156 GLU HB3 1 158 TRP HE1 3.500 . 4.000 2.062 1.998 2.239 . 0 0 "[ . 1 . 2 ]" 1 1352 1 156 GLU HB2 1 158 TRP HE1 3.500 . 4.000 2.819 2.471 3.181 . 0 0 "[ . 1 . 2 ]" 1 1353 1 4 LEU H 1 5 TRP H 4.000 . 5.000 3.954 3.800 4.166 . 0 0 "[ . 1 . 2 ]" 1 1354 1 9 ARG H 1 10 ASP H 3.500 . 4.000 2.696 2.603 2.777 . 0 0 "[ . 1 . 2 ]" 1 1355 1 10 ASP H 1 11 GLY H 2.500 . 3.000 2.618 2.378 2.765 . 0 0 "[ . 1 . 2 ]" 1 1356 1 11 GLY H 1 12 LEU H 3.000 . 3.500 2.047 1.989 2.490 . 0 0 "[ . 1 . 2 ]" 1 1357 1 13 ILE H 1 14 GLY H 2.500 . 3.000 2.105 1.971 2.464 . 0 0 "[ . 1 . 2 ]" 1 1358 1 14 GLY H 1 15 LYS H 4.000 . 5.000 4.366 4.286 4.411 . 0 0 "[ . 1 . 2 ]" 1 1359 1 15 LYS H 1 16 ASP H 4.000 . 5.000 3.932 3.620 4.068 . 0 0 "[ . 1 . 2 ]" 1 1360 1 16 ASP H 1 17 GLY H 3.500 . 4.000 2.709 2.684 2.729 . 0 0 "[ . 1 . 2 ]" 1 1361 1 17 GLY H 1 18 HIS H 3.000 . 3.500 3.128 2.455 3.182 . 0 0 "[ . 1 . 2 ]" 1 1362 1 25 ASP H 1 26 ASP H 3.500 . 4.000 2.641 2.536 2.708 . 0 0 "[ . 1 . 2 ]" 1 1363 1 26 ASP H 1 27 LEU H 3.500 . 4.000 2.558 2.493 2.662 . 0 0 "[ . 1 . 2 ]" 1 1364 1 27 LEU H 1 28 HIS H 3.500 . 4.000 2.610 2.518 2.690 . 0 0 "[ . 1 . 2 ]" 1 1365 1 28 HIS H 1 29 TYR H 4.000 . 5.000 2.624 2.527 2.727 . 0 0 "[ . 1 . 2 ]" 1 1366 1 29 TYR H 1 30 PHE H 3.500 . 4.000 2.514 2.352 2.623 . 0 0 "[ . 1 . 2 ]" 1 1367 1 30 PHE H 1 31 ARG H 3.500 . 4.000 2.636 2.538 2.721 . 0 0 "[ . 1 . 2 ]" 1 1368 1 31 ARG H 1 32 ALA H 3.500 . 4.000 2.593 2.437 2.682 . 0 0 "[ . 1 . 2 ]" 1 1369 1 33 GLN H 1 34 THR H 3.000 . 3.500 3.000 2.911 3.171 . 0 0 "[ . 1 . 2 ]" 1 1370 1 34 THR H 1 35 VAL H 2.500 . 3.000 2.009 1.981 2.173 . 0 0 "[ . 1 . 2 ]" 1 1371 1 35 VAL H 1 36 GLY H 4.000 . 5.000 4.575 4.474 4.672 . 0 0 "[ . 1 . 2 ]" 1 1372 1 36 GLY H 1 37 LYS H 3.500 . 4.000 2.482 2.184 2.767 . 0 0 "[ . 1 . 2 ]" 1 1373 1 43 ARG H 1 44 ARG H 3.500 . 4.000 2.437 2.330 2.554 . 0 0 "[ . 1 . 2 ]" 1 1374 1 44 ARG H 1 45 THR H 3.500 . 4.000 2.605 2.515 2.735 . 0 0 "[ . 1 . 2 ]" 1 1375 1 45 THR H 1 46 TYR H 3.500 . 4.000 2.399 2.230 2.617 . 0 0 "[ . 1 . 2 ]" 1 1376 1 46 TYR H 1 47 GLU H 3.000 . 3.500 2.676 2.590 2.859 . 0 0 "[ . 1 . 2 ]" 1 1377 1 47 GLU H 1 48 SER H 3.500 . 4.000 2.503 2.373 2.664 . 0 0 "[ . 1 . 2 ]" 1 1378 1 48 SER H 1 49 PHE H 3.500 . 4.000 2.669 2.648 2.811 . 0 0 "[ . 1 . 2 ]" 1 1379 1 51 LYS H 1 52 ARG H 4.000 . 5.000 4.200 3.911 4.563 . 0 0 "[ . 1 . 2 ]" 1 1380 1 56 GLU H 1 57 ARG H 4.000 . 5.000 2.685 2.664 2.818 . 0 0 "[ . 1 . 2 ]" 1 1381 1 59 ASN H 1 60 VAL H 4.000 . 5.000 4.473 4.220 4.625 . 0 0 "[ . 1 . 2 ]" 1 1382 1 61 VAL H 1 62 LEU H 4.000 . 5.000 4.533 4.366 4.618 . 0 0 "[ . 1 . 2 ]" 1 1383 1 66 GLU H 1 67 ASP H 3.500 . 4.000 2.873 2.465 3.859 . 0 0 "[ . 1 . 2 ]" 1 1384 1 67 ASP H 1 68 TYR H 3.000 . 3.500 2.153 1.980 2.560 . 0 0 "[ . 1 . 2 ]" 1 1385 1 68 TYR H 1 69 GLN H 4.000 . 5.000 4.498 3.983 4.652 . 0 0 "[ . 1 . 2 ]" 1 1386 1 70 ALA H 1 71 GLN H 4.000 . 5.000 4.228 3.653 4.644 . 0 0 "[ . 1 . 2 ]" 1 1387 1 72 GLY H 1 73 ALA H 3.500 . 4.000 2.729 2.237 3.083 . 0 0 "[ . 1 . 2 ]" 1 1388 1 73 ALA H 1 74 VAL H 4.000 . 5.000 4.542 4.192 4.646 . 0 0 "[ . 1 . 2 ]" 1 1389 1 75 VAL H 1 76 VAL H 4.000 . 5.000 4.352 3.983 4.594 . 0 0 "[ . 1 . 2 ]" 1 1390 1 77 HIS H 1 78 ASP H 2.500 . 3.000 2.325 2.208 2.538 . 0 0 "[ . 1 . 2 ]" 1 1391 1 80 ALA H 1 81 ALA H 2.500 . 3.000 2.624 2.559 2.682 . 0 0 "[ . 1 . 2 ]" 1 1392 1 81 ALA H 1 82 VAL H 2.500 . 3.000 2.622 2.536 2.761 . 0 0 "[ . 1 . 2 ]" 1 1393 1 82 VAL H 1 83 PHE H 2.500 . 3.000 2.648 2.598 2.733 . 0 0 "[ . 1 . 2 ]" 1 1394 1 83 PHE H 1 84 ALA H 2.500 . 3.000 2.464 2.329 2.602 . 0 0 "[ . 1 . 2 ]" 1 1395 1 84 ALA H 1 85 TYR H 2.500 . 3.000 2.627 2.516 2.683 . 0 0 "[ . 1 . 2 ]" 1 1396 1 85 TYR H 1 86 ALA H 2.500 . 3.000 2.647 2.508 3.004 0.004 7 0 "[ . 1 . 2 ]" 1 1397 1 86 ALA H 1 87 LYS H 2.500 . 3.000 2.533 2.411 2.699 . 0 0 "[ . 1 . 2 ]" 1 1398 1 87 LYS H 1 88 GLN H 2.500 . 3.000 2.660 2.560 2.737 . 0 0 "[ . 1 . 2 ]" 1 1399 1 88 GLN H 1 89 HIS H 2.500 . 3.000 2.590 2.419 2.819 . 0 0 "[ . 1 . 2 ]" 1 1400 1 91 ASP H 1 92 GLN H 2.500 . 3.000 2.655 2.499 2.807 . 0 0 "[ . 1 . 2 ]" 1 1401 1 94 LEU H 1 95 VAL H 5.000 . 6.000 4.435 4.102 4.560 . 0 0 "[ . 1 . 2 ]" 1 1402 1 95 VAL H 1 96 ILE H 4.000 . 5.000 4.397 4.217 4.542 . 0 0 "[ . 1 . 2 ]" 1 1403 1 97 ALA H 1 98 GLY H 3.500 . 4.000 2.106 1.997 2.363 . 0 0 "[ . 1 . 2 ]" 1 1404 1 101 GLN H 1 102 ILE H 4.000 . 5.000 2.636 2.578 2.658 . 0 0 "[ . 1 . 2 ]" 1 1405 1 102 ILE H 1 103 PHE H 3.500 . 4.000 2.481 2.362 2.551 . 0 0 "[ . 1 . 2 ]" 1 1406 1 103 PHE H 1 104 THR H 3.000 . 3.500 2.662 2.605 2.698 . 0 0 "[ . 1 . 2 ]" 1 1407 1 104 THR H 1 105 ALA H 3.000 . 3.500 2.608 2.502 2.674 . 0 0 "[ . 1 . 2 ]" 1 1408 1 105 ALA H 1 106 PHE H 3.000 . 3.500 2.644 2.519 2.720 . 0 0 "[ . 1 . 2 ]" 1 1409 1 106 PHE H 1 107 LYS H 3.500 . 4.000 3.030 2.852 3.424 . 0 0 "[ . 1 . 2 ]" 1 1410 1 107 LYS H 1 108 ASP H 3.500 . 4.000 2.384 2.192 2.830 . 0 0 "[ . 1 . 2 ]" 1 1411 1 108 ASP H 1 109 ASP H 3.000 . 3.500 2.773 2.401 3.271 . 0 0 "[ . 1 . 2 ]" 1 1412 1 109 ASP H 1 110 VAL H 3.000 . 3.500 3.174 2.381 3.523 0.023 13 0 "[ . 1 . 2 ]" 1 1413 1 110 VAL H 1 111 ASP H 4.000 . 5.000 4.278 4.115 4.446 . 0 0 "[ . 1 . 2 ]" 1 1414 1 111 ASP H 1 112 THR H 2.500 . 3.000 2.191 1.985 2.549 . 0 0 "[ . 1 . 2 ]" 1 1415 1 114 LEU H 1 115 VAL H 4.000 . 5.000 4.479 4.195 4.555 . 0 0 "[ . 1 . 2 ]" 1 1416 1 115 VAL H 1 116 THR H 4.000 . 5.000 4.401 4.340 4.489 . 0 0 "[ . 1 . 2 ]" 1 1417 1 118 LEU H 1 119 ALA H 4.000 . 5.000 4.527 4.476 4.605 . 0 0 "[ . 1 . 2 ]" 1 1418 1 119 ALA H 1 120 GLY H 3.000 . 3.500 2.109 1.997 2.459 . 0 0 "[ . 1 . 2 ]" 1 1419 1 120 GLY H 1 121 SER H 4.000 . 5.000 4.660 4.626 4.678 . 0 0 "[ . 1 . 2 ]" 1 1420 1 121 SER H 1 122 PHE H 4.000 . 5.000 4.629 4.595 4.652 . 0 0 "[ . 1 . 2 ]" 1 1421 1 122 PHE H 1 123 GLU H 4.000 . 5.000 4.367 4.055 4.427 . 0 0 "[ . 1 . 2 ]" 1 1422 1 125 ASP H 1 126 THR H 2.500 . 3.000 2.011 1.993 2.077 . 0 0 "[ . 1 . 2 ]" 1 1423 1 126 THR H 1 127 LYS H 4.000 . 5.000 4.494 4.337 4.623 . 0 0 "[ . 1 . 2 ]" 1 1424 1 128 MET H 1 129 ILE H 4.000 . 5.000 4.630 4.596 4.662 . 0 0 "[ . 1 . 2 ]" 1 1425 1 133 TRP H 1 134 ASP H 3.500 . 4.000 2.337 2.055 2.637 . 0 0 "[ . 1 . 2 ]" 1 1426 1 134 ASP H 1 135 ASP H 3.000 . 3.500 2.527 2.292 2.712 . 0 0 "[ . 1 . 2 ]" 1 1427 1 135 ASP H 1 136 PHE H 3.000 . 3.500 2.941 2.816 3.062 . 0 0 "[ . 1 . 2 ]" 1 1428 1 136 PHE H 1 137 THR H 4.000 . 5.000 4.399 4.196 4.446 . 0 0 "[ . 1 . 2 ]" 1 1429 1 137 THR H 1 138 LYS H 4.000 . 5.000 4.426 4.270 4.582 . 0 0 "[ . 1 . 2 ]" 1 1430 1 138 LYS H 1 139 VAL H 4.000 . 5.000 4.527 4.381 4.652 . 0 0 "[ . 1 . 2 ]" 1 1431 1 139 VAL H 1 140 SER H 2.500 . 3.000 2.160 1.984 2.587 . 0 0 "[ . 1 . 2 ]" 1 1432 1 140 SER H 1 141 SER H 4.000 . 5.000 4.473 4.314 4.572 . 0 0 "[ . 1 . 2 ]" 1 1433 1 141 SER H 1 142 ARG H 4.000 . 5.000 3.972 3.286 4.435 . 0 0 "[ . 1 . 2 ]" 1 1434 1 144 VAL H 1 145 GLU H 4.000 . 5.000 4.243 4.017 4.479 . 0 0 "[ . 1 . 2 ]" 1 1435 1 145 GLU H 1 146 ASP H 4.000 . 5.000 4.520 4.386 4.620 . 0 0 "[ . 1 . 2 ]" 1 1436 1 146 ASP H 1 147 THR H 4.000 . 5.000 4.445 4.368 4.511 . 0 0 "[ . 1 . 2 ]" 1 1437 1 147 THR H 1 148 ASN H 3.500 . 4.000 2.678 2.549 2.799 . 0 0 "[ . 1 . 2 ]" 1 1438 1 150 ALA H 1 151 LEU H 2.500 . 3.000 2.534 2.433 2.944 . 0 0 "[ . 1 . 2 ]" 1 1439 1 151 LEU H 1 152 THR H 2.500 . 3.000 2.753 2.170 2.952 . 0 0 "[ . 1 . 2 ]" 1 1440 1 152 THR H 1 153 HIS H 4.000 . 5.000 4.618 4.548 4.663 . 0 0 "[ . 1 . 2 ]" 1 1441 1 157 VAL H 1 158 TRP H 4.000 . 5.000 4.047 3.789 4.247 . 0 0 "[ . 1 . 2 ]" 1 1442 1 158 TRP H 1 159 GLN H 4.000 . 5.000 4.570 4.394 4.653 . 0 0 "[ . 1 . 2 ]" 1 1443 1 159 GLN H 1 160 LYS H 4.000 . 5.000 4.479 4.296 4.572 . 0 0 "[ . 1 . 2 ]" 1 1444 1 161 LYS H 1 162 ALA H 4.000 . 5.000 3.421 2.105 4.678 . 0 0 "[ . 1 . 2 ]" 1 1445 1 1 THR HA 1 2 ALA H 2.500 . 3.000 2.234 2.187 2.338 . 0 0 "[ . 1 . 2 ]" 1 1446 1 2 ALA HA 1 3 PHE H 2.500 . 3.000 2.195 2.181 2.241 . 0 0 "[ . 1 . 2 ]" 1 1447 1 3 PHE HA 1 4 LEU H 2.500 . 3.000 2.277 2.190 2.386 . 0 0 "[ . 1 . 2 ]" 1 1448 1 4 LEU HA 1 5 TRP H 2.500 . 3.000 2.204 2.199 2.225 . 0 0 "[ . 1 . 2 ]" 1 1449 1 5 TRP HA 1 6 ALA H 2.500 . 3.000 2.439 2.341 2.506 . 0 0 "[ . 1 . 2 ]" 1 1450 1 6 ALA HA 1 7 GLN H 2.500 . 3.000 2.218 2.196 2.277 . 0 0 "[ . 1 . 2 ]" 1 1451 1 7 GLN HA 1 8 ASP H 2.500 . 3.000 2.503 2.423 2.636 . 0 0 "[ . 1 . 2 ]" 1 1452 1 8 ASP HA 1 9 ARG H 3.500 . 4.000 2.699 2.668 2.745 . 0 0 "[ . 1 . 2 ]" 1 1453 1 10 ASP HA 1 11 GLY H 3.500 . 4.000 3.557 3.492 3.587 . 0 0 "[ . 1 . 2 ]" 1 1454 1 12 LEU HA 1 13 ILE H 2.500 . 3.000 2.245 2.202 2.382 . 0 0 "[ . 1 . 2 ]" 1 1455 1 13 ILE HA 1 14 GLY H 4.000 . 5.000 3.386 2.949 3.530 . 0 0 "[ . 1 . 2 ]" 1 1456 1 15 LYS HA 1 16 ASP H 2.500 . 3.000 2.193 2.182 2.229 . 0 0 "[ . 1 . 2 ]" 1 1457 1 16 ASP HA 1 17 GLY H 3.500 . 4.000 3.003 2.979 3.019 . 0 0 "[ . 1 . 2 ]" 1 1458 1 20 PRO HA 1 21 TRP H 3.500 . 4.000 3.543 3.513 3.571 . 0 0 "[ . 1 . 2 ]" 1 1459 1 21 TRP HA 1 22 HIS H 3.000 . 3.500 2.660 2.540 2.697 . 0 0 "[ . 1 . 2 ]" 1 1460 1 22 HIS HA 1 23 LEU H 2.500 . 3.000 2.259 2.201 2.323 . 0 0 "[ . 1 . 2 ]" 1 1461 1 24 PRO HA 1 25 ASP H 4.000 . 5.000 3.523 3.510 3.546 . 0 0 "[ . 1 . 2 ]" 1 1462 1 25 ASP HA 1 26 ASP H 4.000 . 5.000 3.542 3.516 3.565 . 0 0 "[ . 1 . 2 ]" 1 1463 1 26 ASP HA 1 27 LEU H 4.000 . 5.000 3.515 3.509 3.530 . 0 0 "[ . 1 . 2 ]" 1 1464 1 27 LEU HA 1 28 HIS H 4.000 . 5.000 3.526 3.514 3.545 . 0 0 "[ . 1 . 2 ]" 1 1465 1 29 TYR HA 1 30 PHE H 3.500 . 4.000 3.520 3.511 3.552 . 0 0 "[ . 1 . 2 ]" 1 1466 1 30 PHE HA 1 31 ARG H 3.500 . 4.000 3.546 3.507 3.568 . 0 0 "[ . 1 . 2 ]" 1 1467 1 31 ARG HA 1 32 ALA H 3.500 . 4.000 3.527 3.507 3.562 . 0 0 "[ . 1 . 2 ]" 1 1468 1 32 ALA HA 1 33 GLN H 3.500 . 4.000 3.514 3.503 3.554 . 0 0 "[ . 1 . 2 ]" 1 1469 1 33 GLN HA 1 34 THR H 4.000 . 5.000 2.870 2.811 2.947 . 0 0 "[ . 1 . 2 ]" 1 1470 1 34 THR HA 1 35 VAL H 3.500 . 4.000 3.572 3.568 3.583 . 0 0 "[ . 1 . 2 ]" 1 1471 1 35 VAL HA 1 36 GLY H 2.500 . 3.000 2.200 2.180 2.268 . 0 0 "[ . 1 . 2 ]" 1 1472 1 38 ILE HA 1 39 MET H 2.500 . 3.000 2.205 2.185 2.255 . 0 0 "[ . 1 . 2 ]" 1 1473 1 39 MET HA 1 40 VAL H 2.500 . 3.000 2.201 2.183 2.234 . 0 0 "[ . 1 . 2 ]" 1 1474 1 40 VAL HA 1 41 VAL H 2.500 . 3.000 2.191 2.183 2.228 . 0 0 "[ . 1 . 2 ]" 1 1475 1 41 VAL HA 1 42 GLY H 2.500 . 3.000 2.380 2.261 2.608 . 0 0 "[ . 1 . 2 ]" 1 1476 1 43 ARG HA 1 44 ARG H 4.000 . 5.000 3.542 3.511 3.581 . 0 0 "[ . 1 . 2 ]" 1 1477 1 44 ARG HA 1 45 THR H 3.500 . 4.000 3.531 3.512 3.571 . 0 0 "[ . 1 . 2 ]" 1 1478 1 45 THR HA 1 46 TYR H 3.500 . 4.000 3.525 3.514 3.580 . 0 0 "[ . 1 . 2 ]" 1 1479 1 46 TYR HA 1 47 GLU H 3.500 . 4.000 3.546 3.499 3.583 . 0 0 "[ . 1 . 2 ]" 1 1480 1 47 GLU HA 1 48 SER H 3.500 . 4.000 3.483 3.314 3.500 . 0 0 "[ . 1 . 2 ]" 1 1481 1 48 SER HA 1 49 PHE H 3.500 . 4.000 3.468 3.024 3.533 . 0 0 "[ . 1 . 2 ]" 1 1482 1 50 PRO HA 1 51 LYS H 4.000 . 5.000 3.587 3.582 3.589 . 0 0 "[ . 1 . 2 ]" 1 1483 1 51 LYS HA 1 52 ARG H 2.500 . 3.000 2.232 2.193 2.288 . 0 0 "[ . 1 . 2 ]" 1 1484 1 53 PRO HA 1 54 LEU H 2.500 . 3.000 2.550 2.360 2.780 . 0 0 "[ . 1 . 2 ]" 1 1485 1 55 PRO HA 1 56 GLU H 2.500 . 3.000 2.532 2.485 2.602 . 0 0 "[ . 1 . 2 ]" 1 1486 1 56 GLU HA 1 57 ARG H 3.500 . 4.000 3.008 2.943 3.416 . 0 0 "[ . 1 . 2 ]" 1 1487 1 57 ARG HA 1 58 THR H 3.500 . 4.000 2.423 2.267 2.585 . 0 0 "[ . 1 . 2 ]" 1 1488 1 58 THR HA 1 59 ASN H 2.500 . 3.000 2.237 2.185 2.354 . 0 0 "[ . 1 . 2 ]" 1 1489 1 59 ASN HA 1 60 VAL H 2.500 . 3.000 2.217 2.187 2.281 . 0 0 "[ . 1 . 2 ]" 1 1490 1 60 VAL HA 1 61 VAL H 2.500 . 3.000 2.235 2.186 2.327 . 0 0 "[ . 1 . 2 ]" 1 1491 1 61 VAL HA 1 62 LEU H 4.000 . 5.000 2.210 2.183 2.313 . 0 0 "[ . 1 . 2 ]" 1 1492 1 62 LEU HA 1 63 THR H 4.000 . 5.000 2.220 2.184 2.332 . 0 0 "[ . 1 . 2 ]" 1 1493 1 64 HIS HA 1 65 GLN H 3.500 . 4.000 2.962 2.716 3.460 . 0 0 "[ . 1 . 2 ]" 1 1494 1 65 GLN HA 1 66 GLU H 2.500 . 3.000 2.226 2.189 2.307 . 0 0 "[ . 1 . 2 ]" 1 1495 1 66 GLU HA 1 67 ASP H 3.000 . 3.500 2.975 2.466 3.379 . 0 0 "[ . 1 . 2 ]" 1 1496 1 68 TYR HA 1 69 GLN H 2.500 . 3.000 2.249 2.188 2.529 . 0 0 "[ . 1 . 2 ]" 1 1497 1 69 GLN HA 1 70 ALA H 2.500 . 3.000 2.258 2.185 2.443 . 0 0 "[ . 1 . 2 ]" 1 1498 1 70 ALA HA 1 71 GLN H 2.500 . 3.000 2.225 2.186 2.318 . 0 0 "[ . 1 . 2 ]" 1 1499 1 71 GLN HA 1 72 GLY H 2.500 . 3.000 2.223 2.185 2.389 . 0 0 "[ . 1 . 2 ]" 1 1500 1 73 ALA HA 1 74 VAL H 2.500 . 3.000 2.365 2.185 2.603 . 0 0 "[ . 1 . 2 ]" 1 1501 1 74 VAL HA 1 75 VAL H 2.500 . 3.000 2.249 2.187 2.399 . 0 0 "[ . 1 . 2 ]" 1 1502 1 75 VAL HA 1 76 VAL H 3.500 . 4.000 2.199 2.184 2.248 . 0 0 "[ . 1 . 2 ]" 1 1503 1 76 VAL HA 1 77 HIS H 2.500 . 3.000 2.497 2.360 2.685 . 0 0 "[ . 1 . 2 ]" 1 1504 1 77 HIS HA 1 78 ASP H 3.500 . 4.000 2.910 2.865 2.969 . 0 0 "[ . 1 . 2 ]" 1 1505 1 79 VAL HA 1 80 ALA H 3.500 . 4.000 3.543 3.511 3.570 . 0 0 "[ . 1 . 2 ]" 1 1506 1 81 ALA HA 1 82 VAL H 4.000 . 5.000 3.548 3.526 3.576 . 0 0 "[ . 1 . 2 ]" 1 1507 1 82 VAL HA 1 83 PHE H 3.500 . 4.000 3.530 3.512 3.572 . 0 0 "[ . 1 . 2 ]" 1 1508 1 83 PHE HA 1 84 ALA H 3.500 . 4.000 3.530 3.513 3.570 . 0 0 "[ . 1 . 2 ]" 1 1509 1 84 ALA HA 1 85 TYR H 4.000 . 5.000 3.533 3.508 3.555 . 0 0 "[ . 1 . 2 ]" 1 1510 1 85 TYR HA 1 86 ALA H 4.000 . 5.000 3.542 3.513 3.585 . 0 0 "[ . 1 . 2 ]" 1 1511 1 86 ALA HA 1 87 LYS H 4.000 . 5.000 3.529 3.502 3.566 . 0 0 "[ . 1 . 2 ]" 1 1512 1 88 GLN HA 1 89 HIS H 4.000 . 5.000 3.485 2.978 3.519 . 0 0 "[ . 1 . 2 ]" 1 1513 1 91 ASP HA 1 92 GLN H 3.500 . 4.000 3.404 3.027 3.546 . 0 0 "[ . 1 . 2 ]" 1 1514 1 92 GLN HA 1 93 GLU H 2.500 . 3.000 2.316 2.186 2.404 . 0 0 "[ . 1 . 2 ]" 1 1515 1 93 GLU HA 1 94 LEU H 2.500 . 3.000 2.492 2.299 2.676 . 0 0 "[ . 1 . 2 ]" 1 1516 1 94 LEU HA 1 95 VAL H 2.500 . 3.000 2.196 2.184 2.219 . 0 0 "[ . 1 . 2 ]" 1 1517 1 95 VAL HA 1 96 ILE H 2.500 . 3.000 2.207 2.187 2.290 . 0 0 "[ . 1 . 2 ]" 1 1518 1 96 ILE HA 1 97 ALA H 2.500 . 3.000 2.188 2.181 2.200 . 0 0 "[ . 1 . 2 ]" 1 1519 1 101 GLN HA 1 102 ILE H 3.500 . 4.000 3.523 3.510 3.539 . 0 0 "[ . 1 . 2 ]" 1 1520 1 102 ILE HA 1 103 PHE H 3.500 . 4.000 3.543 3.536 3.552 . 0 0 "[ . 1 . 2 ]" 1 1521 1 103 PHE HA 1 104 THR H 4.000 . 5.000 3.545 3.517 3.558 . 0 0 "[ . 1 . 2 ]" 1 1522 1 104 THR HA 1 105 ALA H 4.000 . 5.000 3.525 3.511 3.541 . 0 0 "[ . 1 . 2 ]" 1 1523 1 105 ALA HA 1 106 PHE H 4.000 . 5.000 3.559 3.542 3.574 . 0 0 "[ . 1 . 2 ]" 1 1524 1 106 PHE HA 1 107 LYS H 3.500 . 4.000 2.830 2.638 2.917 . 0 0 "[ . 1 . 2 ]" 1 1525 1 107 LYS HA 1 108 ASP H 3.500 . 4.000 3.523 3.504 3.586 . 0 0 "[ . 1 . 2 ]" 1 1526 1 108 ASP HA 1 109 ASP H 4.000 . 5.000 3.109 2.696 3.520 . 0 0 "[ . 1 . 2 ]" 1 1527 1 109 ASP HA 1 110 VAL H 3.500 . 4.000 2.508 2.420 2.860 . 0 0 "[ . 1 . 2 ]" 1 1528 1 110 VAL HA 1 111 ASP H 2.500 . 3.000 2.242 2.186 2.315 . 0 0 "[ . 1 . 2 ]" 1 1529 1 111 ASP HA 1 112 THR H 3.500 . 4.000 3.547 3.064 3.588 . 0 0 "[ . 1 . 2 ]" 1 1530 1 112 THR HA 1 113 LEU H 2.500 . 3.000 2.208 2.183 2.265 . 0 0 "[ . 1 . 2 ]" 1 1531 1 113 LEU HA 1 114 LEU H 2.500 . 3.000 2.247 2.208 2.339 . 0 0 "[ . 1 . 2 ]" 1 1532 1 114 LEU HA 1 115 VAL H 2.500 . 3.000 2.200 2.189 2.256 . 0 0 "[ . 1 . 2 ]" 1 1533 1 115 VAL HA 1 116 THR H 2.500 . 3.000 2.275 2.225 2.307 . 0 0 "[ . 1 . 2 ]" 1 1534 1 116 THR HA 1 117 ARG H 2.500 . 3.000 2.223 2.191 2.260 . 0 0 "[ . 1 . 2 ]" 1 1535 1 117 ARG HA 1 118 LEU H 2.500 . 3.000 2.191 2.182 2.215 . 0 0 "[ . 1 . 2 ]" 1 1536 1 118 LEU HA 1 119 ALA H 2.500 . 3.000 2.591 2.270 2.725 . 0 0 "[ . 1 . 2 ]" 1 1537 1 119 ALA HA 1 120 GLY H 4.000 . 5.000 3.560 3.538 3.580 . 0 0 "[ . 1 . 2 ]" 1 1538 1 121 SER HA 1 122 PHE H 2.500 . 3.000 2.324 2.262 2.416 . 0 0 "[ . 1 . 2 ]" 1 1539 1 122 PHE HA 1 123 GLU H 3.500 . 4.000 2.329 2.185 2.491 . 0 0 "[ . 1 . 2 ]" 1 1540 1 123 GLU HA 1 124 GLY H 2.500 . 3.000 2.298 2.243 2.382 . 0 0 "[ . 1 . 2 ]" 1 1541 1 125 ASP HA 1 126 THR H 3.500 . 4.000 3.543 3.506 3.572 . 0 0 "[ . 1 . 2 ]" 1 1542 1 126 THR HA 1 127 LYS H 2.500 . 3.000 2.196 2.185 2.224 . 0 0 "[ . 1 . 2 ]" 1 1543 1 127 LYS HA 1 128 MET H 2.500 . 3.000 2.439 2.327 2.498 . 0 0 "[ . 1 . 2 ]" 1 1544 1 128 MET HA 1 129 ILE H 2.500 . 3.000 2.286 2.254 2.327 . 0 0 "[ . 1 . 2 ]" 1 1545 1 130 PRO HA 1 131 LEU H 2.500 . 3.000 2.248 2.200 2.317 . 0 0 "[ . 1 . 2 ]" 1 1546 1 131 LEU HA 1 132 ASN H 3.500 . 4.000 2.389 2.248 2.608 . 0 0 "[ . 1 . 2 ]" 1 1547 1 132 ASN HA 1 133 TRP H 2.500 . 3.000 2.195 2.184 2.262 . 0 0 "[ . 1 . 2 ]" 1 1548 1 133 TRP HA 1 134 ASP H 3.500 . 4.000 3.382 3.247 3.510 . 0 0 "[ . 1 . 2 ]" 1 1549 1 135 ASP HA 1 136 PHE H 3.500 . 4.000 2.908 2.847 2.989 . 0 0 "[ . 1 . 2 ]" 1 1550 1 136 PHE HA 1 137 THR H 2.500 . 3.000 2.404 2.199 2.586 . 0 0 "[ . 1 . 2 ]" 1 1551 1 137 THR HA 1 138 LYS H 2.500 . 3.000 2.315 2.216 2.416 . 0 0 "[ . 1 . 2 ]" 1 1552 1 138 LYS HA 1 139 VAL H 2.500 . 3.000 2.215 2.185 2.312 . 0 0 "[ . 1 . 2 ]" 1 1553 1 139 VAL HA 1 140 SER H 3.500 . 4.000 3.552 3.512 3.587 . 0 0 "[ . 1 . 2 ]" 1 1554 1 140 SER HA 1 141 SER H 2.500 . 3.000 2.302 2.202 2.469 . 0 0 "[ . 1 . 2 ]" 1 1555 1 141 SER HA 1 142 ARG H 2.500 . 3.000 2.251 2.185 2.437 . 0 0 "[ . 1 . 2 ]" 1 1556 1 142 ARG HA 1 143 THR H 2.500 . 3.000 2.194 2.183 2.220 . 0 0 "[ . 1 . 2 ]" 1 1557 1 143 THR HA 1 144 VAL H 2.500 . 3.000 2.221 2.185 2.302 . 0 0 "[ . 1 . 2 ]" 1 1558 1 144 VAL HA 1 145 GLU H 2.500 . 3.000 2.200 2.184 2.375 . 0 0 "[ . 1 . 2 ]" 1 1559 1 145 GLU HA 1 146 ASP H 2.500 . 3.000 2.253 2.184 2.380 . 0 0 "[ . 1 . 2 ]" 1 1560 1 146 ASP HA 1 147 THR H 2.500 . 3.000 2.725 2.669 2.791 . 0 0 "[ . 1 . 2 ]" 1 1561 1 147 THR HA 1 148 ASN H 3.500 . 4.000 3.546 3.509 3.587 . 0 0 "[ . 1 . 2 ]" 1 1562 1 150 ALA HA 1 151 LEU H 3.500 . 4.000 3.440 2.915 3.516 . 0 0 "[ . 1 . 2 ]" 1 1563 1 151 LEU HA 1 152 THR H 4.000 . 5.000 3.053 2.931 3.413 . 0 0 "[ . 1 . 2 ]" 1 1564 1 152 THR HA 1 153 HIS H 2.500 . 3.000 2.267 2.205 2.385 . 0 0 "[ . 1 . 2 ]" 1 1565 1 153 HIS HA 1 154 THR H 2.500 . 3.000 2.353 2.246 2.503 . 0 0 "[ . 1 . 2 ]" 1 1566 1 154 THR HA 1 155 TYR H 2.500 . 3.000 2.192 2.185 2.207 . 0 0 "[ . 1 . 2 ]" 1 1567 1 155 TYR HA 1 156 GLU H 2.500 . 3.000 2.211 2.185 2.320 . 0 0 "[ . 1 . 2 ]" 1 1568 1 156 GLU HA 1 157 VAL H 2.500 . 3.000 2.202 2.186 2.245 . 0 0 "[ . 1 . 2 ]" 1 1569 1 157 VAL HA 1 158 TRP H 2.500 . 3.000 2.264 2.199 2.373 . 0 0 "[ . 1 . 2 ]" 1 1570 1 158 TRP HA 1 159 GLN H 2.500 . 3.000 2.255 2.185 2.396 . 0 0 "[ . 1 . 2 ]" 1 1571 1 159 GLN HA 1 160 LYS H 2.500 . 3.000 2.337 2.225 2.434 . 0 0 "[ . 1 . 2 ]" 1 1572 1 160 LYS HA 1 161 LYS H 2.500 . 3.000 2.277 2.179 2.408 . 0 0 "[ . 1 . 2 ]" 1 1573 1 161 LYS HA 1 162 ALA H 3.500 . 4.000 3.009 2.230 3.585 . 0 0 "[ . 1 . 2 ]" 1 1574 1 10 ASP HB2 1 11 GLY H 4.000 . 5.000 2.658 2.369 3.105 . 0 0 "[ . 1 . 2 ]" 1 1575 1 10 ASP HB3 1 11 GLY H 4.000 . 5.000 3.488 2.939 3.854 . 0 0 "[ . 1 . 2 ]" 1 1576 1 13 ILE HB 1 14 GLY H 4.000 . 5.000 3.969 3.776 4.451 . 0 0 "[ . 1 . 2 ]" 1 1577 1 26 ASP HB3 1 27 LEU H 4.000 . 5.000 2.826 2.740 2.871 . 0 0 "[ . 1 . 2 ]" 1 1578 1 26 ASP HB2 1 27 LEU H 4.000 . 5.000 3.901 3.848 3.983 . 0 0 "[ . 1 . 2 ]" 1 1579 1 27 LEU HB2 1 28 HIS H 3.500 . 4.000 2.858 2.742 2.950 . 0 0 "[ . 1 . 2 ]" 1 1580 1 27 LEU HB3 1 28 HIS H 4.000 . 5.000 3.600 3.475 3.697 . 0 0 "[ . 1 . 2 ]" 1 1581 1 34 THR HB 1 35 VAL H 4.000 . 5.000 3.423 3.245 3.484 . 0 0 "[ . 1 . 2 ]" 1 1582 1 35 VAL HB 1 36 GLY H 3.500 . 4.000 3.365 2.962 3.642 . 0 0 "[ . 1 . 2 ]" 1 1583 1 37 LYS HB3 1 38 ILE H 3.500 . 4.000 2.080 1.999 2.120 . 0 0 "[ . 1 . 2 ]" 1 1584 1 37 LYS HB2 1 38 ILE H 3.500 . 4.000 3.358 3.105 3.526 . 0 0 "[ . 1 . 2 ]" 1 1585 1 38 ILE HB 1 39 MET H 5.000 . 5.500 4.299 4.064 4.425 . 0 0 "[ . 1 . 2 ]" 1 1586 1 40 VAL HB 1 41 VAL H 4.000 . 5.000 4.232 4.034 4.356 . 0 0 "[ . 1 . 2 ]" 1 1587 1 41 VAL HB 1 42 GLY H 3.500 . 4.000 2.634 2.129 2.972 . 0 0 "[ . 1 . 2 ]" 1 1588 1 45 THR HB 1 46 TYR H 3.500 . 4.000 2.776 2.316 2.841 . 0 0 "[ . 1 . 2 ]" 1 1589 1 74 VAL HB 1 75 VAL H 4.000 . 5.000 4.124 3.616 4.449 . 0 0 "[ . 1 . 2 ]" 1 1590 1 76 VAL HB 1 77 HIS H 2.500 . 3.000 2.362 1.993 2.676 . 0 0 "[ . 1 . 2 ]" 1 1591 1 79 VAL HB 1 80 ALA H 3.000 . 3.500 2.658 2.437 2.849 . 0 0 "[ . 1 . 2 ]" 1 1592 1 82 VAL HB 1 83 PHE H 2.500 . 3.000 2.736 2.443 2.843 . 0 0 "[ . 1 . 2 ]" 1 1593 1 83 PHE HB2 1 84 ALA H 3.500 . 4.000 2.907 2.692 3.057 . 0 0 "[ . 1 . 2 ]" 1 1594 1 83 PHE HB3 1 84 ALA H 4.000 . 5.000 3.465 3.133 3.851 . 0 0 "[ . 1 . 2 ]" 1 1595 1 85 TYR HB2 1 86 ALA H 3.500 . 4.000 3.816 3.630 3.905 . 0 0 "[ . 1 . 2 ]" 1 1596 1 85 TYR HB3 1 86 ALA H 3.500 . 4.000 2.634 2.112 2.858 . 0 0 "[ . 1 . 2 ]" 1 1597 1 95 VAL HB 1 96 ILE H 4.000 . 5.000 4.137 3.863 4.318 . 0 0 "[ . 1 . 2 ]" 1 1598 1 102 ILE HB 1 103 PHE H 3.500 . 4.000 2.662 2.620 2.698 . 0 0 "[ . 1 . 2 ]" 1 1599 1 104 THR HB 1 105 ALA H 2.500 . 3.000 2.774 2.680 2.850 . 0 0 "[ . 1 . 2 ]" 1 1600 1 106 PHE HB2 1 107 LYS H 5.000 . 6.000 4.219 4.143 4.378 . 0 0 "[ . 1 . 2 ]" 1 1601 1 110 VAL HB 1 111 ASP H 4.000 . 5.000 4.173 4.027 4.443 . 0 0 "[ . 1 . 2 ]" 1 1602 1 112 THR HB 1 113 LEU H 4.000 . 5.000 4.058 3.743 4.323 . 0 0 "[ . 1 . 2 ]" 1 1603 1 115 VAL HB 1 116 THR H 4.000 . 5.000 4.084 4.022 4.183 . 0 0 "[ . 1 . 2 ]" 1 1604 1 116 THR HB 1 117 ARG H 4.000 . 5.000 4.342 4.237 4.421 . 0 0 "[ . 1 . 2 ]" 1 1605 1 117 ARG HB3 1 118 LEU H 4.000 . 5.000 3.460 3.198 3.793 . 0 0 "[ . 1 . 2 ]" 1 1606 1 117 ARG HB2 1 118 LEU H 5.000 . 6.000 4.370 4.187 4.552 . 0 0 "[ . 1 . 2 ]" 1 1607 1 118 LEU HB3 1 119 ALA H 3.500 . 4.000 2.233 2.001 3.234 . 0 0 "[ . 1 . 2 ]" 1 1608 1 118 LEU HB2 1 119 ALA H 4.000 . 5.000 3.690 3.453 4.323 . 0 0 "[ . 1 . 2 ]" 1 1609 1 137 THR HB 1 138 LYS H 4.000 . 5.000 3.701 3.394 4.050 . 0 0 "[ . 1 . 2 ]" 1 1610 1 139 VAL HB 1 140 SER H 3.500 . 4.000 3.105 2.016 3.977 . 0 0 "[ . 1 . 2 ]" 1 1611 1 141 SER HB2 1 142 ARG H 4.000 . 5.000 4.347 3.829 4.603 . 0 0 "[ . 1 . 2 ]" 1 1612 1 141 SER HB3 1 142 ARG H 4.000 . 5.000 4.188 3.537 4.514 . 0 0 "[ . 1 . 2 ]" 1 1613 1 143 THR HB 1 144 VAL H 4.000 . 5.000 3.972 3.715 4.173 . 0 0 "[ . 1 . 2 ]" 1 1614 1 144 VAL HB 1 145 GLU H 4.000 . 5.000 4.200 3.658 4.350 . 0 0 "[ . 1 . 2 ]" 1 1615 1 147 THR HB 1 148 ASN H 4.000 . 5.000 3.606 3.161 3.894 . 0 0 "[ . 1 . 2 ]" 1 1616 1 152 THR HB 1 153 HIS H 4.000 . 5.000 3.874 3.600 4.128 . 0 0 "[ . 1 . 2 ]" 1 1617 1 153 HIS HB2 1 154 THR H 3.500 . 4.000 2.686 2.337 3.051 . 0 0 "[ . 1 . 2 ]" 1 1618 1 153 HIS HB3 1 154 THR H 4.000 . 5.000 3.884 3.702 4.078 . 0 0 "[ . 1 . 2 ]" 1 1619 1 154 THR HB 1 155 TYR H 4.000 . 5.000 4.269 4.128 4.344 . 0 0 "[ . 1 . 2 ]" 1 1620 1 156 GLU HB2 1 157 VAL H 4.000 . 5.000 4.267 4.015 4.513 . 0 0 "[ . 1 . 2 ]" 1 1621 1 158 TRP HB3 1 159 GLN H 4.000 . 5.000 3.095 2.592 3.572 . 0 0 "[ . 1 . 2 ]" 1 1622 1 158 TRP HB2 1 159 GLN H 4.000 . 5.000 4.113 3.714 4.367 . 0 0 "[ . 1 . 2 ]" 1 1623 1 4 LEU HG 1 5 TRP H 4.000 . 5.000 3.123 3.013 3.228 . 0 0 "[ . 1 . 2 ]" 1 1624 1 4 LEU HA 1 5 TRP HE3 3.500 . 4.000 2.605 2.536 2.749 . 0 0 "[ . 1 . 2 ]" 1 1625 1 4 LEU H 1 5 TRP HE3 4.000 . 5.000 2.710 2.503 3.065 . 0 0 "[ . 1 . 2 ]" 1 1626 1 5 TRP HD1 1 6 ALA H 3.500 . 4.000 3.658 3.431 4.000 0.000 4 0 "[ . 1 . 2 ]" 1 1627 1 12 LEU HG 1 13 ILE H 3.000 . 3.500 2.352 1.996 2.622 . 0 0 "[ . 1 . 2 ]" 1 1628 1 21 TRP HD1 1 22 HIS HA 3.500 . 4.000 3.124 2.985 3.323 . 0 0 "[ . 1 . 2 ]" 1 1629 1 27 LEU HG 1 28 HIS H 4.000 . 5.000 4.597 4.395 4.707 . 0 0 "[ . 1 . 2 ]" 1 1630 1 52 ARG HA 1 53 PRO HA 2.500 . 3.000 2.078 1.940 2.212 . 0 0 "[ . 1 . 2 ]" 1 1631 1 54 LEU HA 1 55 PRO HD3 2.500 . 3.000 1.986 1.967 2.039 . 0 0 "[ . 1 . 2 ]" 1 1632 1 54 LEU HA 1 55 PRO HD2 2.500 . 3.000 2.551 2.488 2.600 . 0 0 "[ . 1 . 2 ]" 1 1633 1 62 LEU HG 1 63 THR H 4.000 . 5.000 3.262 2.924 3.817 . 0 0 "[ . 1 . 2 ]" 1 1634 1 76 VAL HA 1 77 HIS HD2 5.000 . 6.000 4.091 2.792 5.862 . 0 0 "[ . 1 . 2 ]" 1 1635 1 81 ALA H 1 82 VAL HB 5.000 . 6.000 4.930 4.828 5.035 . 0 0 "[ . 1 . 2 ]" 1 1636 1 88 GLN HA 1 89 HIS HD2 4.000 . 5.000 4.534 3.912 4.929 . 0 0 "[ . 1 . 2 ]" 1 1637 1 94 LEU HG 1 95 VAL H 4.000 . 5.000 2.819 2.477 3.223 . 0 0 "[ . 1 . 2 ]" 1 1638 1 109 ASP H 1 110 VAL HB 5.000 . 6.000 3.942 3.704 4.492 . 0 0 "[ . 1 . 2 ]" 1 1639 1 112 THR HA 1 113 LEU HG 4.000 . 5.000 3.822 3.445 4.535 . 0 0 "[ . 1 . 2 ]" 1 1640 1 118 LEU HG 1 119 ALA H 4.000 . 5.000 3.391 3.193 3.708 . 0 0 "[ . 1 . 2 ]" 1 1641 1 125 ASP H 1 126 THR HB 4.000 . 5.000 4.454 4.190 4.647 . 0 0 "[ . 1 . 2 ]" 1 1642 1 132 ASN HA 1 133 TRP HD1 4.000 . 5.000 3.877 3.469 4.233 . 0 0 "[ . 1 . 2 ]" 1 1643 1 133 TRP HD1 1 134 ASP H 5.000 . 6.000 4.711 4.136 5.117 . 0 0 "[ . 1 . 2 ]" 1 1644 1 151 LEU H 1 152 THR HB 5.000 . 6.000 5.168 4.416 5.361 . 0 0 "[ . 1 . 2 ]" 1 1645 1 151 LEU HG 1 152 THR H 5.000 . 6.000 4.813 4.664 4.958 . 0 0 "[ . 1 . 2 ]" 1 1646 1 158 TRP HE3 1 159 GLN H 4.000 . 5.000 4.149 3.509 4.921 . 0 0 "[ . 1 . 2 ]" 1 1647 1 152 THR H 1 153 HIS HA 5.000 . 6.000 5.369 5.251 5.626 . 0 0 "[ . 1 . 2 ]" 1 1648 1 152 THR HA 1 153 HIS HE1 5.000 . 6.000 4.455 4.287 4.602 . 0 0 "[ . 1 . 2 ]" 1 1649 1 157 VAL HA 1 158 TRP HD1 3.500 . 4.000 3.653 3.205 3.951 . 0 0 "[ . 1 . 2 ]" 1 1650 1 157 VAL H 1 158 TRP HE1 5.000 . 6.000 4.997 4.481 5.476 . 0 0 "[ . 1 . 2 ]" 1 1651 1 11 GLY QA 1 12 LEU H 3.000 . 3.500 2.825 2.696 2.937 . 0 0 "[ . 1 . 2 ]" 1 1652 1 14 GLY QA 1 15 LYS H 4.000 . 5.000 2.308 2.273 2.321 . 0 0 "[ . 1 . 2 ]" 1 1653 1 17 GLY QA 1 18 HIS H 3.500 . 4.000 2.716 2.700 2.927 . 0 0 "[ . 1 . 2 ]" 1 1654 1 36 GLY QA 1 37 LYS H 3.500 . 4.000 2.835 2.770 2.935 . 0 0 "[ . 1 . 2 ]" 1 1655 1 42 GLY QA 1 43 ARG H 3.500 . 4.000 2.287 2.254 2.307 . 0 0 "[ . 1 . 2 ]" 1 1656 1 72 GLY QA 1 73 ALA H 3.500 . 4.000 2.811 2.704 2.946 . 0 0 "[ . 1 . 2 ]" 1 1657 1 99 GLY QA 1 100 ALA H 4.000 . 5.000 2.247 2.211 2.274 . 0 0 "[ . 1 . 2 ]" 1 1658 1 120 GLY QA 1 121 SER H 2.500 . 3.000 2.206 2.175 2.237 . 0 0 "[ . 1 . 2 ]" 1 1659 1 124 GLY QA 1 125 ASP H 2.500 . 3.000 2.269 2.161 2.321 . 0 0 "[ . 1 . 2 ]" 1 1660 1 3 PHE QB 1 4 LEU H 3.500 . 4.000 2.989 2.654 3.518 . 0 0 "[ . 1 . 2 ]" 1 1661 1 4 LEU QB 1 5 TRP H 4.000 . 5.000 3.927 3.902 3.982 . 0 0 "[ . 1 . 2 ]" 1 1662 1 5 TRP QB 1 6 ALA H 2.500 . 3.000 2.529 2.412 2.729 . 0 0 "[ . 1 . 2 ]" 1 1663 1 8 ASP QB 1 9 ARG H 3.000 . 3.500 1.984 1.961 2.055 . 0 0 "[ . 1 . 2 ]" 1 1664 1 7 GLN QB 1 8 ASP H 3.500 . 4.000 2.310 2.054 2.486 . 0 0 "[ . 1 . 2 ]" 1 1665 1 9 ARG QB 1 10 ASP H 4.000 . 5.000 3.493 3.346 3.657 . 0 0 "[ . 1 . 2 ]" 1 1666 1 12 LEU QB 1 13 ILE H 5.000 . 6.000 3.603 3.203 3.761 . 0 0 "[ . 1 . 2 ]" 1 1667 1 15 LYS QB 1 16 ASP H 4.000 . 5.000 3.884 3.777 3.968 . 0 0 "[ . 1 . 2 ]" 1 1668 1 16 ASP QB 1 17 GLY H 4.000 . 5.000 3.754 3.745 3.769 . 0 0 "[ . 1 . 2 ]" 1 1669 1 20 PRO QB 1 21 TRP H 5.000 . 6.000 3.086 2.895 3.253 . 0 0 "[ . 1 . 2 ]" 1 1670 1 21 TRP QB 1 22 HIS H 3.500 . 4.000 2.027 1.985 2.233 . 0 0 "[ . 1 . 2 ]" 1 1671 1 22 HIS QB 1 23 LEU H 4.000 . 5.000 3.989 3.928 4.032 . 0 0 "[ . 1 . 2 ]" 1 1672 1 24 PRO QB 1 25 ASP H 3.000 . 3.500 3.098 2.874 3.191 . 0 0 "[ . 1 . 2 ]" 1 1673 1 25 ASP QB 1 26 ASP H 4.000 . 5.000 2.616 2.472 2.750 . 0 0 "[ . 1 . 2 ]" 1 1674 1 28 HIS QB 1 29 TYR H 3.000 . 3.500 2.617 2.429 2.810 . 0 0 "[ . 1 . 2 ]" 1 1675 1 29 TYR QB 1 30 PHE H 3.500 . 4.000 2.739 2.590 2.784 . 0 0 "[ . 1 . 2 ]" 1 1676 1 30 PHE QB 1 31 ARG H 2.500 . 3.000 2.586 2.440 2.819 . 0 0 "[ . 1 . 2 ]" 1 1677 1 31 ARG QB 1 32 ALA H 3.500 . 4.000 2.707 2.492 2.831 . 0 0 "[ . 1 . 2 ]" 1 1678 1 33 GLN QB 1 34 THR H 3.500 . 4.000 3.845 3.810 3.884 . 0 0 "[ . 1 . 2 ]" 1 1679 1 43 ARG QB 1 44 ARG H 4.000 . 5.000 2.655 2.282 2.864 . 0 0 "[ . 1 . 2 ]" 1 1680 1 44 ARG QB 1 45 THR H 4.000 . 5.000 2.743 2.538 2.879 . 0 0 "[ . 1 . 2 ]" 1 1681 1 47 GLU QB 1 48 SER H 3.000 . 3.500 2.966 2.858 3.441 . 0 0 "[ . 1 . 2 ]" 1 1682 1 48 SER QB 1 49 PHE H 4.000 . 5.000 3.078 2.741 4.015 . 0 0 "[ . 1 . 2 ]" 1 1683 1 50 PRO QB 1 51 LYS H 3.000 . 3.500 2.548 2.435 2.743 . 0 0 "[ . 1 . 2 ]" 1 1684 1 51 LYS QB 1 52 ARG H 4.000 . 5.000 3.931 3.561 4.015 . 0 0 "[ . 1 . 2 ]" 1 1685 1 53 PRO QB 1 54 LEU H 3.000 . 3.500 2.419 1.965 2.819 . 0 0 "[ . 1 . 2 ]" 1 1686 1 57 ARG QB 1 58 THR H 2.500 . 3.000 2.493 2.157 2.890 . 0 0 "[ . 1 . 2 ]" 1 1687 1 56 GLU QB 1 57 ARG H 4.000 . 5.000 3.752 3.290 3.815 . 0 0 "[ . 1 . 2 ]" 1 1688 1 59 ASN QB 1 60 VAL H 4.000 . 5.000 3.137 2.862 3.538 . 0 0 "[ . 1 . 2 ]" 1 1689 1 66 GLU QB 1 67 ASP H 3.500 . 4.000 3.770 3.316 4.029 0.029 19 0 "[ . 1 . 2 ]" 1 1690 1 67 ASP QB 1 68 TYR H 4.000 . 5.000 3.172 2.368 3.806 . 0 0 "[ . 1 . 2 ]" 1 1691 1 68 TYR QB 1 69 GLN H 4.000 . 5.000 3.699 2.965 4.007 . 0 0 "[ . 1 . 2 ]" 1 1692 1 69 GLN QB 1 70 ALA H 4.000 . 5.000 3.330 2.529 3.898 . 0 0 "[ . 1 . 2 ]" 1 1693 1 71 GLN QB 1 72 GLY H 4.000 . 5.000 3.385 2.583 3.770 . 0 0 "[ . 1 . 2 ]" 1 1694 1 77 HIS QB 1 78 ASP H 4.000 . 5.000 3.823 3.787 3.853 . 0 0 "[ . 1 . 2 ]" 1 1695 1 87 LYS QB 1 88 GLN H 3.500 . 4.000 2.609 2.388 2.828 . 0 0 "[ . 1 . 2 ]" 1 1696 1 88 GLN QB 1 89 HIS H 3.500 . 4.000 2.890 2.768 3.774 . 0 0 "[ . 1 . 2 ]" 1 1697 1 90 PRO QB 1 91 ASP H 4.000 . 5.000 3.119 2.752 3.460 . 0 0 "[ . 1 . 2 ]" 1 1698 1 91 ASP QB 1 92 GLN H 4.000 . 5.000 3.072 2.671 4.033 . 0 0 "[ . 1 . 2 ]" 1 1699 1 92 GLN QB 1 93 GLU H 4.000 . 5.000 2.816 2.542 3.427 . 0 0 "[ . 1 . 2 ]" 1 1700 1 93 GLU QB 1 94 LEU H 3.500 . 4.000 2.356 1.981 2.800 . 0 0 "[ . 1 . 2 ]" 1 1701 1 94 LEU QB 1 95 VAL H 4.000 . 5.000 3.767 3.590 3.927 . 0 0 "[ . 1 . 2 ]" 1 1702 1 101 GLN QB 1 102 ILE H 4.000 . 5.000 2.764 2.653 2.869 . 0 0 "[ . 1 . 2 ]" 1 1703 1 103 PHE QB 1 104 THR H 3.500 . 4.000 2.647 2.566 2.772 . 0 0 "[ . 1 . 2 ]" 1 1704 1 107 LYS QB 1 108 ASP H 3.500 . 4.000 2.713 2.232 2.836 . 0 0 "[ . 1 . 2 ]" 1 1705 1 108 ASP QB 1 109 ASP H 3.500 . 4.000 3.482 2.777 3.913 . 0 0 "[ . 1 . 2 ]" 1 1706 1 109 ASP QB 1 110 VAL H 4.000 . 5.000 3.906 3.848 3.928 . 0 0 "[ . 1 . 2 ]" 1 1707 1 111 ASP QB 1 112 THR H 4.000 . 5.000 2.795 2.026 4.022 . 0 0 "[ . 1 . 2 ]" 1 1708 1 113 LEU QB 1 114 LEU H 3.500 . 4.000 3.679 3.569 3.833 . 0 0 "[ . 1 . 2 ]" 1 1709 1 114 LEU QB 1 115 VAL H 4.000 . 5.000 3.316 3.150 3.702 . 0 0 "[ . 1 . 2 ]" 1 1710 1 121 SER QB 1 122 PHE H 4.000 . 5.000 2.889 2.523 3.555 . 0 0 "[ . 1 . 2 ]" 1 1711 1 123 GLU QB 1 124 GLY H 4.000 . 5.000 3.013 2.589 3.582 . 0 0 "[ . 1 . 2 ]" 1 1712 1 125 ASP QB 1 126 THR H 4.000 . 5.000 2.787 2.416 3.485 . 0 0 "[ . 1 . 2 ]" 1 1713 1 127 LYS QB 1 128 MET H 3.500 . 4.000 2.460 2.324 2.721 . 0 0 "[ . 1 . 2 ]" 1 1714 1 128 MET QB 1 129 ILE H 4.000 . 5.000 3.512 3.335 3.594 . 0 0 "[ . 1 . 2 ]" 1 1715 1 130 PRO QB 1 131 LEU H 4.000 . 5.000 3.655 3.268 3.796 . 0 0 "[ . 1 . 2 ]" 1 1716 1 131 LEU QB 1 132 ASN H 2.500 . 3.000 2.587 2.131 2.967 . 0 0 "[ . 1 . 2 ]" 1 1717 1 133 TRP QB 1 134 ASP H 3.500 . 4.000 3.180 2.807 3.539 . 0 0 "[ . 1 . 2 ]" 1 1718 1 134 ASP QB 1 135 ASP H 4.000 . 5.000 2.928 2.758 3.624 . 0 0 "[ . 1 . 2 ]" 1 1719 1 135 ASP QB 1 136 PHE H 4.000 . 5.000 3.822 3.766 3.854 . 0 0 "[ . 1 . 2 ]" 1 1720 1 136 PHE QB 1 137 THR H 3.000 . 3.500 2.563 2.149 3.233 . 0 0 "[ . 1 . 2 ]" 1 1721 1 140 SER QB 1 141 SER H 3.500 . 4.000 3.047 2.392 3.602 . 0 0 "[ . 1 . 2 ]" 1 1722 1 145 GLU QB 1 146 ASP H 3.500 . 4.000 3.219 2.587 3.789 . 0 0 "[ . 1 . 2 ]" 1 1723 1 146 ASP QB 1 147 THR H 4.000 . 5.000 2.480 2.345 2.603 . 0 0 "[ . 1 . 2 ]" 1 1724 1 149 PRO QB 1 150 ALA H 4.000 . 5.000 3.150 2.878 3.238 . 0 0 "[ . 1 . 2 ]" 1 1725 1 151 LEU QB 1 152 THR H 4.000 . 5.000 3.699 3.235 3.811 . 0 0 "[ . 1 . 2 ]" 1 1726 1 155 TYR QB 1 156 GLU H 4.000 . 5.000 3.339 2.749 3.692 . 0 0 "[ . 1 . 2 ]" 1 1727 1 159 GLN QB 1 160 LYS H 3.500 . 4.000 2.735 2.464 3.129 . 0 0 "[ . 1 . 2 ]" 1 1728 1 161 LYS QB 1 162 ALA H 3.500 . 4.000 2.843 2.064 4.016 0.016 10 0 "[ . 1 . 2 ]" 1 1729 1 3 PHE HA 1 4 LEU QB 4.000 . 5.000 4.014 3.942 4.169 . 0 0 "[ . 1 . 2 ]" 1 1730 1 7 GLN QG 1 8 ASP H 4.000 . 5.000 3.690 3.445 4.126 . 0 0 "[ . 1 . 2 ]" 1 1731 1 9 ARG QG 1 10 ASP H 4.000 . 5.000 2.071 1.919 2.426 . 0 0 "[ . 1 . 2 ]" 1 1732 1 13 ILE QG 1 14 GLY H 3.500 . 4.000 2.421 2.057 3.549 . 0 0 "[ . 1 . 2 ]" 1 1733 1 13 ILE QG 1 14 GLY QA 3.500 . 4.000 3.216 3.051 3.634 . 0 0 "[ . 1 . 2 ]" 1 1734 1 15 LYS QG 1 16 ASP H 3.500 . 4.000 3.044 2.841 3.316 . 0 0 "[ . 1 . 2 ]" 1 1735 1 19 LEU HA 1 20 PRO QD 2.500 . 3.000 1.924 1.910 1.943 . 0 0 "[ . 1 . 2 ]" 1 1736 1 19 LEU HA 1 20 PRO QG 4.000 . 5.000 3.864 3.856 3.874 . 0 0 "[ . 1 . 2 ]" 1 1737 1 19 LEU QB 1 20 PRO QD 4.000 . 5.000 2.417 2.205 2.594 . 0 0 "[ . 1 . 2 ]" 1 1738 1 20 PRO QD 1 21 TRP H 3.000 . 3.500 2.049 1.988 2.107 . 0 0 "[ . 1 . 2 ]" 1 1739 1 20 PRO QB 1 21 TRP HE3 3.000 . 3.500 3.178 3.060 3.503 0.003 11 0 "[ . 1 . 2 ]" 1 1740 1 20 PRO QG 1 21 TRP HE3 4.000 . 5.000 2.341 2.202 2.527 . 0 0 "[ . 1 . 2 ]" 1 1741 1 20 PRO QD 1 21 TRP HE3 4.000 . 5.000 3.341 3.104 3.784 . 0 0 "[ . 1 . 2 ]" 1 1742 1 20 PRO QG 1 21 TRP HZ3 3.500 . 4.000 2.595 2.442 2.879 . 0 0 "[ . 1 . 2 ]" 1 1743 1 20 PRO QD 1 21 TRP HH2 4.000 . 5.000 4.050 3.853 4.417 . 0 0 "[ . 1 . 2 ]" 1 1744 1 20 PRO QG 1 21 TRP HH2 4.000 . 5.000 4.080 3.941 4.343 . 0 0 "[ . 1 . 2 ]" 1 1745 1 23 LEU HA 1 24 PRO QD 2.500 . 3.000 1.980 1.924 2.050 . 0 0 "[ . 1 . 2 ]" 1 1746 1 31 ARG QB 1 32 ALA HA 4.000 . 5.000 4.061 3.911 4.181 . 0 0 "[ . 1 . 2 ]" 1 1747 1 31 ARG QG 1 32 ALA H 5.000 . 6.000 4.025 3.773 4.414 . 0 0 "[ . 1 . 2 ]" 1 1748 1 37 LYS QG 1 38 ILE H 4.000 . 5.000 3.703 3.377 4.138 . 0 0 "[ . 1 . 2 ]" 1 1749 1 39 MET QG 1 40 VAL H 4.000 . 5.000 3.072 2.595 3.345 . 0 0 "[ . 1 . 2 ]" 1 1750 1 43 ARG QG 1 44 ARG H 4.000 . 5.000 4.163 3.779 4.566 . 0 0 "[ . 1 . 2 ]" 1 1751 1 49 PHE HA 1 50 PRO QD 3.500 . 4.000 1.935 1.916 1.965 . 0 0 "[ . 1 . 2 ]" 1 1752 1 49 PHE QB 1 50 PRO QD 4.000 . 5.000 2.277 2.089 2.471 . 0 0 "[ . 1 . 2 ]" 1 1753 1 50 PRO QG 1 51 LYS H 3.000 . 3.500 2.486 2.422 2.650 . 0 0 "[ . 1 . 2 ]" 1 1754 1 50 PRO QD 1 51 LYS H 3.000 . 3.500 2.200 2.026 2.249 . 0 0 "[ . 1 . 2 ]" 1 1755 1 51 LYS H 1 52 ARG QG 4.000 . 5.000 4.066 3.851 4.796 . 0 0 "[ . 1 . 2 ]" 1 1756 1 52 ARG HA 1 53 PRO QB 4.000 . 5.000 3.916 3.840 3.968 . 0 0 "[ . 1 . 2 ]" 1 1757 1 53 PRO QB 1 54 LEU HA 4.000 . 5.000 4.349 4.188 4.525 . 0 0 "[ . 1 . 2 ]" 1 1758 1 54 LEU QB 1 55 PRO QD 3.000 . 3.500 3.180 3.008 3.331 . 0 0 "[ . 1 . 2 ]" 1 1759 1 54 LEU QB 1 55 PRO QG 4.000 . 5.000 4.887 4.735 5.006 0.006 1 0 "[ . 1 . 2 ]" 1 1760 1 54 LEU HA 1 55 PRO QG 4.000 . 5.000 3.863 3.857 3.885 . 0 0 "[ . 1 . 2 ]" 1 1761 1 56 GLU QG 1 57 ARG H 5.000 . 6.000 4.524 4.122 4.864 . 0 0 "[ . 1 . 2 ]" 1 1762 1 64 HIS QB 1 65 GLN HA 4.000 . 5.000 4.373 4.053 4.619 . 0 0 "[ . 1 . 2 ]" 1 1763 1 65 GLN QG 1 66 GLU H 4.000 . 5.000 2.641 2.010 3.274 . 0 0 "[ . 1 . 2 ]" 1 1764 1 69 GLN QG 1 70 ALA H 5.000 . 6.000 4.046 3.476 4.474 . 0 0 "[ . 1 . 2 ]" 1 1765 1 71 GLN QG 1 72 GLY H 4.000 . 5.000 4.166 3.560 4.474 . 0 0 "[ . 1 . 2 ]" 1 1766 1 86 ALA H 1 87 LYS QB 5.000 . 6.000 4.328 4.196 4.478 . 0 0 "[ . 1 . 2 ]" 1 1767 1 88 GLN QB 1 89 HIS HD2 3.000 . 3.500 3.007 1.903 3.501 0.001 20 0 "[ . 1 . 2 ]" 1 1768 1 88 GLN QB 1 89 HIS HE1 5.000 . 6.000 4.643 4.250 5.741 . 0 0 "[ . 1 . 2 ]" 1 1769 1 88 GLN QG 1 89 HIS H 5.000 . 6.000 4.362 4.138 4.632 . 0 0 "[ . 1 . 2 ]" 1 1770 1 89 HIS H 1 90 PRO QD 3.500 . 4.000 3.604 3.161 3.999 . 0 0 "[ . 1 . 2 ]" 1 1771 1 89 HIS HA 1 90 PRO QD 3.500 . 4.000 2.045 1.971 2.128 . 0 0 "[ . 1 . 2 ]" 1 1772 1 90 PRO QD 1 91 ASP H 3.000 . 3.500 2.331 2.064 3.151 . 0 0 "[ . 1 . 2 ]" 1 1773 1 90 PRO QG 1 91 ASP H 3.500 . 4.000 3.235 2.833 3.642 . 0 0 "[ . 1 . 2 ]" 1 1774 1 98 GLY QA 1 99 GLY QA 2.500 . 3.000 1.953 1.924 1.999 . 0 0 "[ . 1 . 2 ]" 1 1775 1 101 GLN H 1 102 ILE QG 3.500 . 4.000 3.947 3.859 4.000 0.000 15 0 "[ . 1 . 2 ]" 1 1776 1 107 LYS QG 1 108 ASP H 3.500 . 4.000 3.932 3.744 4.007 0.007 9 0 "[ . 1 . 2 ]" 1 1777 1 107 LYS QD 1 108 ASP H 4.000 . 5.000 4.731 3.997 5.011 0.011 7 0 "[ . 1 . 2 ]" 1 1778 1 108 ASP H 1 109 ASP QB 5.000 . 6.000 4.177 3.881 4.697 . 0 0 "[ . 1 . 2 ]" 1 1779 1 123 GLU QG 1 124 GLY H 4.000 . 5.000 3.439 2.129 4.023 . 0 0 "[ . 1 . 2 ]" 1 1780 1 127 LYS QG 1 128 MET H 4.000 . 5.000 3.628 3.309 3.965 . 0 0 "[ . 1 . 2 ]" 1 1781 1 128 MET QG 1 129 ILE H 2.500 . 3.000 2.241 2.012 2.826 . 0 0 "[ . 1 . 2 ]" 1 1782 1 129 ILE HA 1 130 PRO QD 2.500 . 3.000 2.015 1.968 2.103 . 0 0 "[ . 1 . 2 ]" 1 1783 1 129 ILE HA 1 130 PRO QG 4.000 . 5.000 3.908 3.879 4.020 . 0 0 "[ . 1 . 2 ]" 1 1784 1 129 ILE HB 1 130 PRO QD 2.500 . 3.000 1.978 1.935 2.128 . 0 0 "[ . 1 . 2 ]" 1 1785 1 130 PRO QG 1 131 LEU H 5.000 . 6.000 5.003 4.894 5.019 . 0 0 "[ . 1 . 2 ]" 1 1786 1 138 LYS QG 1 139 VAL H 3.500 . 4.000 2.755 2.207 3.173 . 0 0 "[ . 1 . 2 ]" 1 1787 1 142 ARG QG 1 143 THR H 4.000 . 5.000 2.835 2.503 3.232 . 0 0 "[ . 1 . 2 ]" 1 1788 1 145 GLU QG 1 146 ASP H 4.000 . 5.000 3.544 2.210 4.414 . 0 0 "[ . 1 . 2 ]" 1 1789 1 148 ASN HA 1 149 PRO QG 4.000 . 5.000 3.904 3.873 3.940 . 0 0 "[ . 1 . 2 ]" 1 1790 1 148 ASN HA 1 149 PRO QD 2.500 . 3.000 2.005 1.967 2.033 . 0 0 "[ . 1 . 2 ]" 1 1791 1 149 PRO QD 1 150 ALA H 4.000 . 5.000 2.072 1.996 2.969 . 0 0 "[ . 1 . 2 ]" 1 1792 1 149 PRO QG 1 150 ALA H 3.500 . 4.000 3.131 3.002 3.214 . 0 0 "[ . 1 . 2 ]" 1 1793 1 150 ALA MB 1 151 LEU HG 4.000 . 5.500 3.154 2.921 3.340 . 0 0 "[ . 1 . 2 ]" 1 1794 1 156 GLU QG 1 157 VAL H 4.000 . 5.000 4.130 3.759 4.632 . 0 0 "[ . 1 . 2 ]" 1 1795 1 159 GLN QG 1 160 LYS H 4.000 . 5.000 3.730 3.361 4.115 . 0 0 "[ . 1 . 2 ]" 1 1796 1 160 LYS QG 1 161 LYS H 4.000 . 5.000 2.396 1.975 3.196 . 0 0 "[ . 1 . 2 ]" 1 1797 1 161 LYS QG 1 162 ALA H 4.000 . 5.000 3.627 1.977 4.346 . 0 0 "[ . 1 . 2 ]" 1 1798 1 2 ALA MB 1 3 PHE H 3.500 . 4.500 3.240 2.960 3.523 . 0 0 "[ . 1 . 2 ]" 1 1799 1 6 ALA MB 1 7 GLN H 3.500 . 4.500 3.057 2.816 3.185 . 0 0 "[ . 1 . 2 ]" 1 1800 1 32 ALA MB 1 33 GLN H 2.500 . 3.500 2.746 2.661 2.827 . 0 0 "[ . 1 . 2 ]" 1 1801 1 70 ALA MB 1 71 GLN H 4.000 . 5.500 3.226 2.725 3.613 . 0 0 "[ . 1 . 2 ]" 1 1802 1 73 ALA MB 1 74 VAL H 3.000 . 4.000 2.656 2.113 3.295 . 0 0 "[ . 1 . 2 ]" 1 1803 1 80 ALA MB 1 81 ALA H 2.500 . 3.500 2.651 2.541 2.762 . 0 0 "[ . 1 . 2 ]" 1 1804 1 81 ALA MB 1 82 VAL H 3.500 . 4.500 2.566 2.386 2.663 . 0 0 "[ . 1 . 2 ]" 1 1805 1 84 ALA MB 1 85 TYR H 3.500 . 4.500 2.635 2.512 2.766 . 0 0 "[ . 1 . 2 ]" 1 1806 1 86 ALA MB 1 87 LYS H 3.500 . 4.500 2.652 2.433 2.788 . 0 0 "[ . 1 . 2 ]" 1 1807 1 97 ALA MB 1 98 GLY H 4.000 . 5.500 2.771 2.391 2.868 . 0 0 "[ . 1 . 2 ]" 1 1808 1 105 ALA MB 1 106 PHE H 3.000 . 4.000 2.506 2.370 2.612 . 0 0 "[ . 1 . 2 ]" 1 1809 1 119 ALA MB 1 120 GLY H 4.000 . 5.500 2.477 2.277 2.610 . 0 0 "[ . 1 . 2 ]" 1 1810 1 150 ALA MB 1 151 LEU H 3.000 . 4.000 2.946 2.698 3.653 . 0 0 "[ . 1 . 2 ]" 1 1811 1 1 THR MG 1 2 ALA H 4.000 . 5.500 3.420 2.188 4.225 . 0 0 "[ . 1 . 2 ]" 1 1812 1 4 LEU MD1 1 5 TRP HA 4.000 . 5.500 4.855 4.646 5.082 . 0 0 "[ . 1 . 2 ]" 1 1813 1 4 LEU MD1 1 5 TRP H 3.500 . 4.500 3.290 3.031 3.760 . 0 0 "[ . 1 . 2 ]" 1 1814 1 5 TRP HA 1 6 ALA MB 4.000 . 5.500 3.955 3.905 3.984 . 0 0 "[ . 1 . 2 ]" 1 1815 1 12 LEU MD1 1 13 ILE H 4.000 . 5.500 3.164 2.736 3.452 . 0 0 "[ . 1 . 2 ]" 1 1816 1 12 LEU HA 1 13 ILE MG 4.000 . 5.500 3.672 3.462 3.810 . 0 0 "[ . 1 . 2 ]" 1 1817 1 23 LEU MD1 1 24 PRO QD 4.000 . 5.500 2.848 2.196 3.288 . 0 0 "[ . 1 . 2 ]" 1 1818 1 27 LEU MD1 1 28 HIS H 5.000 . 6.500 4.629 4.531 4.753 . 0 0 "[ . 1 . 2 ]" 1 1819 1 27 LEU MD2 1 28 HIS H 5.000 . 6.500 4.749 4.699 4.824 . 0 0 "[ . 1 . 2 ]" 1 1820 1 33 GLN QB 1 34 THR MG 3.500 . 4.500 3.088 2.926 3.209 . 0 0 "[ . 1 . 2 ]" 1 1821 1 34 THR MG 1 35 VAL H 4.000 . 5.500 3.928 3.840 3.991 . 0 0 "[ . 1 . 2 ]" 1 1822 1 38 ILE MG 1 39 MET H 3.500 . 4.500 3.006 2.512 3.381 . 0 0 "[ . 1 . 2 ]" 1 1823 1 39 MET HA 1 40 VAL MG2 4.000 . 5.500 3.668 3.467 3.822 . 0 0 "[ . 1 . 2 ]" 1 1824 1 40 VAL MG1 1 41 VAL H 3.500 . 4.500 2.844 2.482 3.145 . 0 0 "[ . 1 . 2 ]" 1 1825 1 40 VAL MG1 1 41 VAL HA 4.000 . 5.500 3.675 3.543 3.792 . 0 0 "[ . 1 . 2 ]" 1 1826 1 40 VAL HA 1 41 VAL MG2 4.000 . 5.500 3.595 3.489 3.734 . 0 0 "[ . 1 . 2 ]" 1 1827 1 41 VAL MG1 1 42 GLY H 3.500 . 4.500 3.738 3.597 3.838 . 0 0 "[ . 1 . 2 ]" 1 1828 1 41 VAL MG2 1 42 GLY H 4.000 . 5.500 3.629 3.216 3.857 . 0 0 "[ . 1 . 2 ]" 1 1829 1 45 THR MG 1 46 TYR H 4.000 . 5.500 3.860 3.443 4.000 . 0 0 "[ . 1 . 2 ]" 1 1830 1 54 LEU MD2 1 55 PRO HD3 3.500 . 4.500 3.180 2.939 3.419 . 0 0 "[ . 1 . 2 ]" 1 1831 1 54 LEU MD2 1 55 PRO HD2 3.500 . 4.500 3.067 2.702 3.271 . 0 0 "[ . 1 . 2 ]" 1 1832 1 54 LEU MD1 1 55 PRO QD 4.000 . 5.500 4.615 4.398 4.839 . 0 0 "[ . 1 . 2 ]" 1 1833 1 54 LEU MD2 1 55 PRO QG 5.000 . 6.500 4.424 4.104 4.672 . 0 0 "[ . 1 . 2 ]" 1 1834 1 58 THR MG 1 59 ASN H 4.000 . 5.500 2.538 2.103 3.126 . 0 0 "[ . 1 . 2 ]" 1 1835 1 60 VAL MG1 1 61 VAL H 3.500 . 4.500 3.249 2.800 3.573 . 0 0 "[ . 1 . 2 ]" 1 1836 1 60 VAL HA 1 61 VAL MG2 4.000 . 5.500 3.769 3.508 3.914 . 0 0 "[ . 1 . 2 ]" 1 1837 1 61 VAL MG1 1 62 LEU H 3.500 . 4.500 2.623 2.166 3.115 . 0 0 "[ . 1 . 2 ]" 1 1838 1 61 VAL MG2 1 62 LEU H 4.000 . 5.500 4.106 3.957 4.223 . 0 0 "[ . 1 . 2 ]" 1 1839 1 61 VAL MG1 1 62 LEU HA 4.000 . 5.500 3.838 3.680 4.119 . 0 0 "[ . 1 . 2 ]" 1 1840 1 62 LEU MD1 1 63 THR H 3.500 . 4.500 3.347 2.845 3.841 . 0 0 "[ . 1 . 2 ]" 1 1841 1 69 GLN H 1 70 ALA MB 5.000 . 6.500 4.685 4.068 5.430 . 0 0 "[ . 1 . 2 ]" 1 1842 1 73 ALA HA 1 74 VAL MG2 4.000 . 5.500 3.455 3.287 3.606 . 0 0 "[ . 1 . 2 ]" 1 1843 1 73 ALA MB 1 74 VAL HA 5.000 . 6.500 4.254 4.070 4.449 . 0 0 "[ . 1 . 2 ]" 1 1844 1 74 VAL MG1 1 75 VAL H 3.500 . 4.500 2.714 1.961 3.526 . 0 0 "[ . 1 . 2 ]" 1 1845 1 74 VAL MG1 1 75 VAL HA 5.000 . 6.500 3.983 3.663 4.263 . 0 0 "[ . 1 . 2 ]" 1 1846 1 75 VAL MG1 1 76 VAL H 3.500 . 4.500 2.876 2.347 3.256 . 0 0 "[ . 1 . 2 ]" 1 1847 1 75 VAL MG1 1 76 VAL HA 4.000 . 5.500 3.887 3.612 4.116 . 0 0 "[ . 1 . 2 ]" 1 1848 1 75 VAL HA 1 76 VAL MG2 5.000 . 6.500 3.668 3.565 3.803 . 0 0 "[ . 1 . 2 ]" 1 1849 1 75 VAL HA 1 76 VAL MG1 5.000 . 6.500 3.825 3.627 3.971 . 0 0 "[ . 1 . 2 ]" 1 1850 1 76 VAL MG1 1 77 HIS H 3.500 . 4.500 3.655 3.558 3.750 . 0 0 "[ . 1 . 2 ]" 1 1851 1 76 VAL MG2 1 77 HIS H 4.000 . 5.500 3.436 3.115 3.664 . 0 0 "[ . 1 . 2 ]" 1 1852 1 80 ALA H 1 81 ALA MB 5.000 . 6.500 4.315 4.254 4.364 . 0 0 "[ . 1 . 2 ]" 1 1853 1 81 ALA MB 1 82 VAL HA 4.000 . 5.500 3.837 3.783 3.865 . 0 0 "[ . 1 . 2 ]" 1 1854 1 81 ALA MB 1 82 VAL MG2 4.000 . 5.500 3.108 2.975 3.223 . 0 0 "[ . 1 . 2 ]" 1 1855 1 81 ALA H 1 82 VAL MG2 5.000 . 6.500 3.900 3.785 4.101 . 0 0 "[ . 1 . 2 ]" 1 1856 1 82 VAL MG1 1 83 PHE H 4.000 . 5.500 3.696 3.483 3.773 . 0 0 "[ . 1 . 2 ]" 1 1857 1 82 VAL MG2 1 83 PHE H 4.000 . 5.500 3.788 3.695 3.826 . 0 0 "[ . 1 . 2 ]" 1 1858 1 82 VAL MG1 1 83 PHE HA 4.000 . 5.500 3.732 3.612 3.802 . 0 0 "[ . 1 . 2 ]" 1 1859 1 84 ALA MB 1 85 TYR HA 4.000 . 5.500 3.853 3.793 3.901 . 0 0 "[ . 1 . 2 ]" 1 1860 1 85 TYR H 1 86 ALA MB 4.000 . 5.500 4.346 4.214 4.563 . 0 0 "[ . 1 . 2 ]" 1 1861 1 95 VAL H 1 96 ILE MD 5.000 . 6.500 4.046 3.878 4.300 . 0 0 "[ . 1 . 2 ]" 1 1862 1 96 ILE MG 1 97 ALA H 3.500 . 4.500 2.857 2.601 3.075 . 0 0 "[ . 1 . 2 ]" 1 1863 1 96 ILE MD 1 97 ALA H 4.000 . 5.500 3.788 3.707 3.875 . 0 0 "[ . 1 . 2 ]" 1 1864 1 96 ILE HA 1 97 ALA MB 4.000 . 5.500 4.033 3.985 4.096 . 0 0 "[ . 1 . 2 ]" 1 1865 1 99 GLY QA 1 100 ALA MB 4.000 . 5.500 3.841 3.829 3.849 . 0 0 "[ . 1 . 2 ]" 1 1866 1 100 ALA MB 1 101 GLN HA 5.000 . 6.500 3.852 3.785 3.887 . 0 0 "[ . 1 . 2 ]" 1 1867 1 101 GLN QB 1 102 ILE MD 4.000 . 5.500 3.185 3.013 3.277 . 0 0 "[ . 1 . 2 ]" 1 1868 1 101 GLN QG 1 102 ILE MD 5.000 . 6.500 4.487 3.454 5.126 . 0 0 "[ . 1 . 2 ]" 1 1869 1 102 ILE MG 1 103 PHE H 4.000 . 5.500 3.652 3.607 3.686 . 0 0 "[ . 1 . 2 ]" 1 1870 1 102 ILE MG 1 103 PHE HA 4.000 . 5.500 3.717 3.672 3.773 . 0 0 "[ . 1 . 2 ]" 1 1871 1 104 THR MG 1 105 ALA H 4.000 . 5.500 3.853 3.772 3.998 . 0 0 "[ . 1 . 2 ]" 1 1872 1 113 LEU MD2 1 114 LEU H 4.000 . 5.500 3.957 3.719 4.214 . 0 0 "[ . 1 . 2 ]" 1 1873 1 114 LEU MD2 1 115 VAL H 4.000 . 5.500 3.698 3.297 4.210 . 0 0 "[ . 1 . 2 ]" 1 1874 1 116 THR MG 1 117 ARG H 3.500 . 4.500 3.219 2.940 3.396 . 0 0 "[ . 1 . 2 ]" 1 1875 1 117 ARG HA 1 118 LEU MD1 4.000 . 5.500 3.642 3.267 5.019 . 0 0 "[ . 1 . 2 ]" 1 1876 1 118 LEU MD2 1 119 ALA H 5.000 . 6.500 3.355 2.064 3.875 . 0 0 "[ . 1 . 2 ]" 1 1877 1 126 THR MG 1 127 LYS H 4.000 . 5.500 2.881 2.476 3.305 . 0 0 "[ . 1 . 2 ]" 1 1878 1 128 MET ME 1 129 ILE H 4.000 . 5.500 3.104 2.489 3.804 . 0 0 "[ . 1 . 2 ]" 1 1879 1 128 MET ME 1 129 ILE MD 4.000 . 5.500 3.265 2.614 4.116 . 0 0 "[ . 1 . 2 ]" 1 1880 1 128 MET ME 1 129 ILE QG 3.000 . 4.500 2.440 1.932 3.369 . 0 0 "[ . 1 . 2 ]" 1 1881 1 128 MET ME 1 129 ILE MG 5.000 . 6.500 3.896 3.282 4.722 . 0 0 "[ . 1 . 2 ]" 1 1882 1 128 MET HA 1 129 ILE MG 4.000 . 5.500 3.711 3.636 3.793 . 0 0 "[ . 1 . 2 ]" 1 1883 1 129 ILE MG 1 130 PRO HD3 4.000 . 5.500 3.308 3.250 3.960 . 0 0 "[ . 1 . 2 ]" 1 1884 1 129 ILE MG 1 130 PRO HD2 4.000 . 5.500 3.423 3.077 3.487 . 0 0 "[ . 1 . 2 ]" 1 1885 1 129 ILE MD 1 130 PRO QD 4.000 . 5.500 3.350 3.211 3.800 . 0 0 "[ . 1 . 2 ]" 1 1886 1 137 THR MG 1 138 LYS H 3.500 . 4.500 2.201 1.963 2.533 . 0 0 "[ . 1 . 2 ]" 1 1887 1 143 THR MG 1 144 VAL HA 4.000 . 5.500 3.910 3.678 4.195 . 0 0 "[ . 1 . 2 ]" 1 1888 1 147 THR MG 1 148 ASN H 4.000 . 5.500 3.930 3.714 4.061 . 0 0 "[ . 1 . 2 ]" 1 1889 1 150 ALA MB 1 151 LEU MD2 5.000 . 6.500 3.958 3.665 4.405 . 0 0 "[ . 1 . 2 ]" 1 1890 1 152 THR MG 1 153 HIS H 3.500 . 4.500 2.270 2.033 2.699 . 0 0 "[ . 1 . 2 ]" 1 1891 1 154 THR MG 1 155 TYR H 3.500 . 4.500 2.841 2.563 3.066 . 0 0 "[ . 1 . 2 ]" 1 1892 1 3 PHE QD 1 4 LEU H 5.000 . 6.000 4.136 3.923 4.405 . 0 0 "[ . 1 . 2 ]" 1 1893 1 29 TYR QD 1 30 PHE HA 4.000 . 5.000 4.105 3.613 4.429 . 0 0 "[ . 1 . 2 ]" 1 1894 1 29 TYR QD 1 30 PHE QB 4.000 . 5.000 4.882 4.708 5.007 0.007 15 0 "[ . 1 . 2 ]" 1 1895 1 30 PHE QD 1 31 ARG HA 4.000 . 5.000 3.757 3.406 4.095 . 0 0 "[ . 1 . 2 ]" 1 1896 1 30 PHE QD 1 31 ARG H 4.000 . 5.000 3.849 3.675 4.158 . 0 0 "[ . 1 . 2 ]" 1 1897 1 46 TYR QD 1 47 GLU H 4.000 . 5.000 3.977 3.509 4.365 . 0 0 "[ . 1 . 2 ]" 1 1898 1 46 TYR QD 1 47 GLU QG 3.500 . 4.000 3.252 2.942 3.998 . 0 0 "[ . 1 . 2 ]" 1 1899 1 46 TYR QD 1 47 GLU HA 4.000 . 5.000 4.065 3.649 4.406 . 0 0 "[ . 1 . 2 ]" 1 1900 1 49 PHE QD 1 50 PRO QD 4.000 . 5.000 2.964 2.625 3.256 . 0 0 "[ . 1 . 2 ]" 1 1901 1 68 TYR QD 1 69 GLN H 4.000 . 5.000 3.554 2.920 4.381 . 0 0 "[ . 1 . 2 ]" 1 1902 1 68 TYR QE 1 69 GLN H 5.000 . 6.000 4.550 3.760 5.669 . 0 0 "[ . 1 . 2 ]" 1 1903 1 83 PHE QD 1 84 ALA H 4.000 . 5.000 4.556 4.375 4.654 . 0 0 "[ . 1 . 2 ]" 1 1904 1 85 TYR QD 1 86 ALA H 3.500 . 4.000 3.875 3.603 4.006 0.006 14 0 "[ . 1 . 2 ]" 1 1905 1 85 TYR QD 1 86 ALA HA 3.500 . 4.000 3.695 3.270 4.069 0.069 7 0 "[ . 1 . 2 ]" 1 1906 1 103 PHE QD 1 104 THR H 5.000 . 6.000 4.488 4.389 4.560 . 0 0 "[ . 1 . 2 ]" 1 1907 1 105 ALA MB 1 106 PHE QD 3.500 . 4.500 3.144 2.084 3.465 . 0 0 "[ . 1 . 2 ]" 1 1908 1 105 ALA MB 1 106 PHE QE 4.000 . 5.000 3.391 2.774 3.785 . 0 0 "[ . 1 . 2 ]" 1 1909 1 121 SER HA 1 122 PHE QD 3.500 . 4.000 3.429 3.202 3.807 . 0 0 "[ . 1 . 2 ]" 1 1910 1 121 SER HA 1 122 PHE QE 5.000 . 6.000 4.390 4.178 4.714 . 0 0 "[ . 1 . 2 ]" 1 1911 1 121 SER H 1 122 PHE QE 4.000 . 5.000 4.539 4.159 4.873 . 0 0 "[ . 1 . 2 ]" 1 1912 1 135 ASP H 1 136 PHE QD 3.500 . 4.000 2.866 2.640 3.071 . 0 0 "[ . 1 . 2 ]" 1 1913 1 135 ASP QB 1 136 PHE QD 3.000 . 3.500 2.960 2.591 3.321 . 0 0 "[ . 1 . 2 ]" 1 1914 1 135 ASP QB 1 136 PHE QE 3.500 . 4.000 3.028 2.762 3.345 . 0 0 "[ . 1 . 2 ]" 1 1915 1 136 PHE QD 1 137 THR H 4.000 . 5.000 3.530 3.155 4.021 . 0 0 "[ . 1 . 2 ]" 1 1916 1 155 TYR QD 1 156 GLU H 4.000 . 5.000 4.012 3.698 4.361 . 0 0 "[ . 1 . 2 ]" 1 1917 1 34 THR H 1 35 VAL QG 4.000 . 5.500 2.678 2.648 2.778 . 0 0 "[ . 1 . 2 ]" 1 1918 1 35 VAL QG 1 36 GLY H 3.500 . 4.500 3.586 3.428 3.684 . 0 0 "[ . 1 . 2 ]" 1 1919 1 78 ASP HA 1 79 VAL QG 4.000 . 5.500 3.568 3.467 3.626 . 0 0 "[ . 1 . 2 ]" 1 1920 1 79 VAL QG 1 80 ALA H 4.000 . 5.500 3.295 3.183 3.384 . 0 0 "[ . 1 . 2 ]" 1 1921 1 79 VAL QG 1 80 ALA HA 4.000 . 5.500 3.654 3.573 3.733 . 0 0 "[ . 1 . 2 ]" 1 1922 1 109 ASP H 1 110 VAL QG 5.000 . 6.500 3.212 2.710 3.964 . 0 0 "[ . 1 . 2 ]" 1 1923 1 110 VAL QG 1 111 ASP H 3.500 . 4.500 2.392 2.105 2.971 . 0 0 "[ . 1 . 2 ]" 1 1924 1 114 LEU HA 1 115 VAL QG 4.000 . 5.500 3.609 3.553 3.782 . 0 0 "[ . 1 . 2 ]" 1 1925 1 115 VAL QG 1 116 THR H 3.500 . 4.500 2.249 2.131 2.453 . 0 0 "[ . 1 . 2 ]" 1 1926 1 115 VAL QG 1 116 THR HA 4.000 . 5.500 3.480 3.377 3.551 . 0 0 "[ . 1 . 2 ]" 1 1927 1 139 VAL QG 1 140 SER H 3.500 . 4.500 2.450 1.893 3.306 . 0 0 "[ . 1 . 2 ]" 1 1928 1 139 VAL QG 1 140 SER HA 4.000 . 5.500 3.729 3.453 3.884 . 0 0 "[ . 1 . 2 ]" 1 1929 1 143 THR HA 1 144 VAL QG 4.000 . 5.500 3.442 3.238 3.610 . 0 0 "[ . 1 . 2 ]" 1 1930 1 144 VAL QG 1 145 GLU H 3.500 . 4.500 2.748 1.972 3.065 . 0 0 "[ . 1 . 2 ]" 1 1931 1 156 GLU HA 1 157 VAL QG 4.000 . 5.500 3.533 3.379 3.656 . 0 0 "[ . 1 . 2 ]" 1 1932 1 157 VAL QG 1 158 TRP H 4.000 . 5.500 3.230 3.013 3.479 . 0 0 "[ . 1 . 2 ]" 1 1933 1 95 VAL QG 1 96 ILE H 3.500 . 4.500 2.619 2.229 2.976 . 0 0 "[ . 1 . 2 ]" 1 1934 1 94 LEU QD 1 95 VAL H 3.500 . 4.500 3.236 2.829 3.511 . 0 0 "[ . 1 . 2 ]" 1 1935 1 58 THR HA 1 59 ASN QD 4.000 . 5.000 3.387 2.920 4.350 . 0 0 "[ . 1 . 2 ]" 1 1936 1 3 PHE HA 1 3 PHE QD 3.000 . 4.000 2.652 2.561 2.741 . 0 0 "[ . 1 . 2 ]" 1 1937 1 29 TYR H 1 29 TYR QD 4.000 . 5.000 4.117 4.031 4.189 . 0 0 "[ . 1 . 2 ]" 1 1938 1 29 TYR HA 1 29 TYR QD 3.500 . 4.000 2.404 2.111 2.915 . 0 0 "[ . 1 . 2 ]" 1 1939 1 29 TYR HA 1 29 TYR QE 5.000 . 6.000 4.294 4.191 4.448 . 0 0 "[ . 1 . 2 ]" 1 1940 1 29 TYR QB 1 29 TYR QE 4.000 . 5.000 3.969 3.962 3.977 . 0 0 "[ . 1 . 2 ]" 1 1941 1 30 PHE H 1 30 PHE QD 4.000 . 5.000 4.181 4.151 4.204 . 0 0 "[ . 1 . 2 ]" 1 1942 1 30 PHE HA 1 30 PHE QD 3.500 . 4.000 2.460 2.227 2.733 . 0 0 "[ . 1 . 2 ]" 1 1943 1 46 TYR H 1 46 TYR QD 4.000 . 5.000 4.149 4.109 4.175 . 0 0 "[ . 1 . 2 ]" 1 1944 1 46 TYR HA 1 46 TYR QD 4.000 . 5.000 2.288 2.087 2.614 . 0 0 "[ . 1 . 2 ]" 1 1945 1 49 PHE H 1 49 PHE QD 3.500 . 4.000 2.977 2.569 3.399 . 0 0 "[ . 1 . 2 ]" 1 1946 1 49 PHE HA 1 49 PHE QD 2.500 . 3.000 2.201 2.117 2.519 . 0 0 "[ . 1 . 2 ]" 1 1947 1 68 TYR HA 1 68 TYR QD 3.500 . 4.000 2.456 2.091 2.992 . 0 0 "[ . 1 . 2 ]" 1 1948 1 68 TYR H 1 68 TYR QD 4.000 . 5.000 4.135 3.873 4.238 . 0 0 "[ . 1 . 2 ]" 1 1949 1 68 TYR HA 1 68 TYR QE 4.000 . 5.000 4.316 4.132 4.532 . 0 0 "[ . 1 . 2 ]" 1 1950 1 83 PHE H 1 83 PHE QD 4.000 . 5.000 3.053 2.452 3.316 . 0 0 "[ . 1 . 2 ]" 1 1951 1 83 PHE HA 1 83 PHE QD 3.500 . 4.000 2.363 2.096 2.934 . 0 0 "[ . 1 . 2 ]" 1 1952 1 85 TYR H 1 85 TYR QD 4.000 . 5.000 4.172 4.110 4.222 . 0 0 "[ . 1 . 2 ]" 1 1953 1 85 TYR HA 1 85 TYR QD 3.500 . 4.000 2.573 2.071 2.984 . 0 0 "[ . 1 . 2 ]" 1 1954 1 103 PHE HA 1 103 PHE QD 3.500 . 4.000 2.015 1.996 2.037 . 0 0 "[ . 1 . 2 ]" 1 1955 1 103 PHE H 1 103 PHE QD 4.000 . 5.000 3.206 3.173 3.249 . 0 0 "[ . 1 . 2 ]" 1 1956 1 106 PHE H 1 106 PHE QD 4.000 . 5.000 2.894 2.058 3.235 . 0 0 "[ . 1 . 2 ]" 1 1957 1 106 PHE HA 1 106 PHE QD 3.500 . 4.000 2.464 2.183 3.106 . 0 0 "[ . 1 . 2 ]" 1 1958 1 122 PHE H 1 122 PHE QD 3.500 . 4.000 3.189 2.958 3.452 . 0 0 "[ . 1 . 2 ]" 1 1959 1 122 PHE H 1 122 PHE QE 5.000 . 6.000 5.014 4.845 5.178 . 0 0 "[ . 1 . 2 ]" 1 1960 1 122 PHE HA 1 122 PHE QD 3.500 . 4.000 2.738 2.500 2.907 . 0 0 "[ . 1 . 2 ]" 1 1961 1 136 PHE H 1 136 PHE QD 3.500 . 4.000 3.260 3.083 3.422 . 0 0 "[ . 1 . 2 ]" 1 1962 1 155 TYR H 1 155 TYR QD 3.500 . 4.000 2.808 2.461 3.004 . 0 0 "[ . 1 . 2 ]" 1 1963 1 155 TYR HA 1 155 TYR QD 3.500 . 4.000 2.338 2.168 2.609 . 0 0 "[ . 1 . 2 ]" 1 1964 1 35 VAL H 1 35 VAL QG 4.000 . 5.500 1.810 1.795 1.843 0.005 17 0 "[ . 1 . 2 ]" 1 1965 1 79 VAL H 1 79 VAL QG 3.500 . 4.500 2.021 1.961 2.065 . 0 0 "[ . 1 . 2 ]" 1 1966 1 95 VAL H 1 95 VAL QG 4.000 . 5.500 2.522 2.399 2.648 . 0 0 "[ . 1 . 2 ]" 1 1967 1 110 VAL H 1 110 VAL QG 2.500 . 3.500 2.237 1.968 2.535 . 0 0 "[ . 1 . 2 ]" 1 1968 1 115 VAL H 1 115 VAL QG 3.500 . 4.500 2.141 1.958 2.338 . 0 0 "[ . 1 . 2 ]" 1 1969 1 139 VAL H 1 139 VAL QG 3.500 . 4.500 2.153 1.897 2.669 . 0 0 "[ . 1 . 2 ]" 1 1970 1 144 VAL H 1 144 VAL QG 3.500 . 4.500 2.703 2.531 2.845 . 0 0 "[ . 1 . 2 ]" 1 1971 1 157 VAL H 1 157 VAL QG 3.500 . 4.500 2.518 2.302 2.703 . 0 0 "[ . 1 . 2 ]" 1 1972 1 94 LEU H 1 94 LEU QD 4.000 . 5.500 3.736 3.591 3.893 . 0 0 "[ . 1 . 2 ]" 1 1973 1 94 LEU HA 1 94 LEU QD 4.000 . 5.500 2.082 1.950 2.341 . 0 0 "[ . 1 . 2 ]" 1 1974 1 59 ASN H 1 59 ASN QD 2.500 . 3.000 2.651 2.037 3.042 0.042 1 0 "[ . 1 . 2 ]" 1 1975 1 59 ASN HA 1 59 ASN QD 3.500 . 4.000 2.919 2.022 3.505 . 0 0 "[ . 1 . 2 ]" 1 1976 1 33 GLN HA 1 33 GLN QE 4.000 . 5.000 3.551 2.991 4.466 . 0 0 "[ . 1 . 2 ]" 1 1977 1 148 ASN H 1 148 ASN QD 4.000 . 5.000 4.107 2.810 4.692 . 0 0 "[ . 1 . 2 ]" 1 1978 1 2 ALA H 1 2 ALA MB 2.500 . 3.500 2.696 2.518 2.814 . 0 0 "[ . 1 . 2 ]" 1 1979 1 4 LEU HA 1 4 LEU MD1 2.500 . 3.500 2.302 2.192 2.584 . 0 0 "[ . 1 . 2 ]" 1 1980 1 4 LEU HA 1 4 LEU MD2 4.000 . 5.500 3.851 3.833 3.861 . 0 0 "[ . 1 . 2 ]" 1 1981 1 6 ALA H 1 6 ALA MB 2.500 . 3.500 2.409 2.267 2.532 . 0 0 "[ . 1 . 2 ]" 1 1982 1 12 LEU HA 1 12 LEU MD1 2.500 . 3.500 2.126 1.983 2.321 . 0 0 "[ . 1 . 2 ]" 1 1983 1 12 LEU HA 1 12 LEU MD2 4.000 . 5.500 3.790 3.735 3.844 . 0 0 "[ . 1 . 2 ]" 1 1984 1 12 LEU H 1 12 LEU MD2 5.000 . 6.500 4.388 4.312 4.435 . 0 0 "[ . 1 . 2 ]" 1 1985 1 13 ILE H 1 13 ILE MG 4.000 . 5.500 2.800 2.653 3.111 . 0 0 "[ . 1 . 2 ]" 1 1986 1 13 ILE HA 1 13 ILE MG 2.500 . 3.500 2.278 2.207 2.357 . 0 0 "[ . 1 . 2 ]" 1 1987 1 13 ILE HB 1 13 ILE MD 2.500 . 3.500 2.310 2.156 2.382 . 0 0 "[ . 1 . 2 ]" 1 1988 1 13 ILE MD 1 13 ILE MG 3.500 . 4.500 1.967 1.800 2.240 0.000 2 0 "[ . 1 . 2 ]" 1 1989 1 19 LEU HA 1 19 LEU MD2 4.000 . 5.500 2.154 1.982 2.385 . 0 0 "[ . 1 . 2 ]" 1 1990 1 23 LEU HA 1 23 LEU MD1 2.500 . 3.500 2.037 1.947 2.162 . 0 0 "[ . 1 . 2 ]" 1 1991 1 23 LEU HA 1 23 LEU MD2 4.000 . 5.500 3.752 3.719 3.797 . 0 0 "[ . 1 . 2 ]" 1 1992 1 23 LEU H 1 23 LEU MD1 4.000 . 5.500 4.041 3.863 4.236 . 0 0 "[ . 1 . 2 ]" 1 1993 1 27 LEU HA 1 27 LEU MD2 2.500 . 3.500 2.062 1.977 2.237 . 0 0 "[ . 1 . 2 ]" 1 1994 1 27 LEU HA 1 27 LEU MD1 4.000 . 5.500 3.779 3.755 3.828 . 0 0 "[ . 1 . 2 ]" 1 1995 1 27 LEU H 1 27 LEU MD2 4.000 . 5.500 3.863 3.608 4.029 . 0 0 "[ . 1 . 2 ]" 1 1996 1 27 LEU H 1 27 LEU MD1 4.000 . 5.500 3.408 3.206 3.557 . 0 0 "[ . 1 . 2 ]" 1 1997 1 32 ALA H 1 32 ALA MB 2.500 . 3.500 2.233 2.109 2.278 . 0 0 "[ . 1 . 2 ]" 1 1998 1 34 THR HA 1 34 THR MG 2.500 . 3.500 2.276 2.143 2.320 . 0 0 "[ . 1 . 2 ]" 1 1999 1 34 THR HG1 1 34 THR MG 2.500 . 3.500 2.224 2.131 2.267 . 0 0 "[ . 1 . 2 ]" 1 2000 1 34 THR H 1 34 THR MG 3.000 . 4.000 3.221 3.127 3.337 . 0 0 "[ . 1 . 2 ]" 1 2001 1 38 ILE H 1 38 ILE MD 4.000 . 5.500 3.579 3.459 3.688 . 0 0 "[ . 1 . 2 ]" 1 2002 1 38 ILE H 1 38 ILE MG 4.000 . 5.500 3.840 3.819 3.858 . 0 0 "[ . 1 . 2 ]" 1 2003 1 38 ILE HA 1 38 ILE MD 4.000 . 5.500 3.877 3.859 3.891 . 0 0 "[ . 1 . 2 ]" 1 2004 1 38 ILE MD 1 38 ILE MG 3.500 . 4.500 1.966 1.798 2.149 0.002 16 0 "[ . 1 . 2 ]" 1 2005 1 39 MET QB 1 39 MET ME 2.500 . 3.500 2.109 1.916 2.524 . 0 0 "[ . 1 . 2 ]" 1 2006 1 39 MET ME 1 39 MET QG 2.500 . 3.500 2.194 2.028 2.380 . 0 0 "[ . 1 . 2 ]" 1 2007 1 40 VAL H 1 40 VAL MG2 4.000 . 5.500 2.406 2.241 2.641 . 0 0 "[ . 1 . 2 ]" 1 2008 1 40 VAL HA 1 40 VAL MG2 3.500 . 4.500 2.381 2.346 2.453 . 0 0 "[ . 1 . 2 ]" 1 2009 1 41 VAL H 1 41 VAL MG2 2.500 . 3.500 2.185 1.981 2.336 . 0 0 "[ . 1 . 2 ]" 1 2010 1 41 VAL H 1 41 VAL MG1 4.000 . 5.500 3.040 2.904 3.154 . 0 0 "[ . 1 . 2 ]" 1 2011 1 45 THR HA 1 45 THR MG 3.500 . 4.500 2.244 2.103 2.335 . 0 0 "[ . 1 . 2 ]" 1 2012 1 54 LEU H 1 54 LEU MD1 4.000 . 5.500 3.648 3.364 3.898 . 0 0 "[ . 1 . 2 ]" 1 2013 1 54 LEU H 1 54 LEU MD2 4.000 . 5.500 3.746 3.487 4.031 . 0 0 "[ . 1 . 2 ]" 1 2014 1 54 LEU QB 1 54 LEU MD1 2.500 . 4.000 2.097 2.045 2.111 . 0 0 "[ . 1 . 2 ]" 1 2015 1 54 LEU QB 1 54 LEU MD2 2.500 . 4.000 2.200 2.160 2.240 . 0 0 "[ . 1 . 2 ]" 1 2016 1 54 LEU HA 1 54 LEU MD2 2.500 . 3.500 1.990 1.943 2.068 . 0 0 "[ . 1 . 2 ]" 1 2017 1 54 LEU HA 1 54 LEU MD1 4.000 . 5.500 3.800 3.753 3.848 . 0 0 "[ . 1 . 2 ]" 1 2018 1 58 THR H 1 58 THR MG 4.000 . 5.500 3.814 3.773 3.856 . 0 0 "[ . 1 . 2 ]" 1 2019 1 58 THR HA 1 58 THR MG 2.500 . 3.500 2.240 2.118 2.352 . 0 0 "[ . 1 . 2 ]" 1 2020 1 60 VAL H 1 60 VAL MG1 4.000 . 5.500 3.923 3.845 3.959 . 0 0 "[ . 1 . 2 ]" 1 2021 1 60 VAL H 1 60 VAL MG2 3.000 . 4.000 2.747 2.472 2.922 . 0 0 "[ . 1 . 2 ]" 1 2022 1 60 VAL HA 1 60 VAL MG2 3.500 . 4.500 2.374 2.333 2.440 . 0 0 "[ . 1 . 2 ]" 1 2023 1 61 VAL H 1 61 VAL MG2 3.000 . 4.000 2.218 2.065 2.382 . 0 0 "[ . 1 . 2 ]" 1 2024 1 61 VAL H 1 61 VAL MG1 4.000 . 5.500 3.807 3.787 3.844 . 0 0 "[ . 1 . 2 ]" 1 2025 1 61 VAL HA 1 61 VAL MG1 3.500 . 4.500 2.302 2.225 2.375 . 0 0 "[ . 1 . 2 ]" 1 2026 1 61 VAL HA 1 61 VAL MG2 3.500 . 4.500 2.384 2.340 2.446 . 0 0 "[ . 1 . 2 ]" 1 2027 1 62 LEU HA 1 62 LEU MD2 4.000 . 5.500 3.831 3.812 3.852 . 0 0 "[ . 1 . 2 ]" 1 2028 1 62 LEU HA 1 62 LEU MD1 2.500 . 3.500 2.207 2.030 2.401 . 0 0 "[ . 1 . 2 ]" 1 2029 1 63 THR H 1 63 THR MG 3.500 . 4.500 2.168 1.973 2.348 . 0 0 "[ . 1 . 2 ]" 1 2030 1 70 ALA H 1 70 ALA MB 2.500 . 3.500 2.493 2.194 2.827 . 0 0 "[ . 1 . 2 ]" 1 2031 1 73 ALA H 1 73 ALA MB 2.500 . 3.500 2.359 2.133 2.626 . 0 0 "[ . 1 . 2 ]" 1 2032 1 74 VAL H 1 74 VAL MG2 2.500 . 3.500 2.284 2.033 2.591 . 0 0 "[ . 1 . 2 ]" 1 2033 1 74 VAL H 1 74 VAL MG1 4.000 . 5.500 3.815 3.775 3.869 . 0 0 "[ . 1 . 2 ]" 1 2034 1 74 VAL HA 1 74 VAL MG1 3.500 . 4.500 2.292 2.218 2.376 . 0 0 "[ . 1 . 2 ]" 1 2035 1 74 VAL HA 1 74 VAL MG2 3.500 . 4.500 2.372 2.339 2.451 . 0 0 "[ . 1 . 2 ]" 1 2036 1 75 VAL H 1 75 VAL MG2 3.500 . 4.500 2.423 2.135 2.724 . 0 0 "[ . 1 . 2 ]" 1 2037 1 75 VAL HA 1 75 VAL MG2 3.500 . 4.500 2.394 2.342 2.445 . 0 0 "[ . 1 . 2 ]" 1 2038 1 76 VAL H 1 76 VAL MG2 2.500 . 3.500 2.051 1.952 2.232 . 0 0 "[ . 1 . 2 ]" 1 2039 1 76 VAL H 1 76 VAL MG1 4.000 . 5.500 2.772 2.491 3.019 . 0 0 "[ . 1 . 2 ]" 1 2040 1 80 ALA H 1 80 ALA MB 2.500 . 3.500 2.224 2.180 2.254 . 0 0 "[ . 1 . 2 ]" 1 2041 1 81 ALA H 1 81 ALA MB 2.500 . 3.500 2.231 2.192 2.262 . 0 0 "[ . 1 . 2 ]" 1 2042 1 82 VAL H 1 82 VAL MG2 2.500 . 3.500 2.039 1.963 2.138 . 0 0 "[ . 1 . 2 ]" 1 2043 1 82 VAL H 1 82 VAL MG1 4.000 . 5.500 3.770 3.768 3.776 . 0 0 "[ . 1 . 2 ]" 1 2044 1 82 VAL HA 1 82 VAL MG1 3.500 . 4.500 2.287 2.223 2.362 . 0 0 "[ . 1 . 2 ]" 1 2045 1 82 VAL HA 1 82 VAL MG2 2.500 . 3.500 2.368 2.327 2.465 . 0 0 "[ . 1 . 2 ]" 1 2046 1 84 ALA H 1 84 ALA MB 2.500 . 3.500 2.231 2.165 2.265 . 0 0 "[ . 1 . 2 ]" 1 2047 1 86 ALA H 1 86 ALA MB 2.500 . 3.500 2.239 2.187 2.265 . 0 0 "[ . 1 . 2 ]" 1 2048 1 96 ILE H 1 96 ILE MD 4.000 . 5.500 3.352 3.216 3.487 . 0 0 "[ . 1 . 2 ]" 1 2049 1 96 ILE HA 1 96 ILE MD 3.500 . 4.500 2.003 1.957 2.125 . 0 0 "[ . 1 . 2 ]" 1 2050 1 96 ILE HA 1 96 ILE MG 2.500 . 3.500 2.343 2.283 2.363 . 0 0 "[ . 1 . 2 ]" 1 2051 1 96 ILE H 1 96 ILE MG 4.000 . 5.500 3.848 3.816 3.884 . 0 0 "[ . 1 . 2 ]" 1 2052 1 97 ALA H 1 97 ALA MB 2.500 . 3.500 2.333 2.237 2.419 . 0 0 "[ . 1 . 2 ]" 1 2053 1 100 ALA H 1 100 ALA MB 2.500 . 3.500 2.225 2.171 2.256 . 0 0 "[ . 1 . 2 ]" 1 2054 1 102 ILE HA 1 102 ILE MG 2.500 . 3.500 2.284 2.226 2.355 . 0 0 "[ . 1 . 2 ]" 1 2055 1 102 ILE HA 1 102 ILE MD 2.500 . 3.500 2.025 1.980 2.065 . 0 0 "[ . 1 . 2 ]" 1 2056 1 104 THR H 1 104 THR MG 4.000 . 5.500 3.747 3.706 3.776 . 0 0 "[ . 1 . 2 ]" 1 2057 1 104 THR HA 1 104 THR MG 3.000 . 4.000 2.235 2.098 2.358 . 0 0 "[ . 1 . 2 ]" 1 2058 1 105 ALA H 1 105 ALA MB 2.500 . 3.500 2.225 2.159 2.258 . 0 0 "[ . 1 . 2 ]" 1 2059 1 112 THR HA 1 112 THR MG 2.500 . 3.500 2.224 2.142 2.300 . 0 0 "[ . 1 . 2 ]" 1 2060 1 112 THR H 1 112 THR MG 4.000 . 5.500 3.813 3.741 4.038 . 0 0 "[ . 1 . 2 ]" 1 2061 1 113 LEU HA 1 113 LEU MD2 2.500 . 3.500 2.206 1.969 2.426 . 0 0 "[ . 1 . 2 ]" 1 2062 1 113 LEU HA 1 113 LEU MD1 4.000 . 5.500 3.844 3.776 3.885 . 0 0 "[ . 1 . 2 ]" 1 2063 1 113 LEU H 1 113 LEU MD1 4.000 . 5.500 3.697 3.372 3.966 . 0 0 "[ . 1 . 2 ]" 1 2064 1 113 LEU H 1 113 LEU MD2 4.000 . 5.500 3.955 3.698 4.147 . 0 0 "[ . 1 . 2 ]" 1 2065 1 114 LEU HA 1 114 LEU MD2 3.500 . 4.500 2.293 2.088 2.483 . 0 0 "[ . 1 . 2 ]" 1 2066 1 114 LEU HA 1 114 LEU MD1 4.000 . 5.500 3.837 3.748 3.886 . 0 0 "[ . 1 . 2 ]" 1 2067 1 116 THR HA 1 116 THR MG 2.500 . 3.500 2.276 2.152 2.357 . 0 0 "[ . 1 . 2 ]" 1 2068 1 118 LEU H 1 118 LEU MD1 3.000 . 4.000 2.724 2.428 3.858 . 0 0 "[ . 1 . 2 ]" 1 2069 1 118 LEU H 1 118 LEU MD2 5.000 . 6.500 4.321 4.184 4.549 . 0 0 "[ . 1 . 2 ]" 1 2070 1 118 LEU HA 1 118 LEU MD1 4.000 . 5.500 2.819 2.583 3.564 . 0 0 "[ . 1 . 2 ]" 1 2071 1 118 LEU HA 1 118 LEU MD2 4.000 . 5.500 3.497 2.714 3.627 . 0 0 "[ . 1 . 2 ]" 1 2072 1 119 ALA H 1 119 ALA MB 2.500 . 3.500 2.415 2.279 2.506 . 0 0 "[ . 1 . 2 ]" 1 2073 1 126 THR HA 1 126 THR MG 3.500 . 4.500 2.228 2.056 2.323 . 0 0 "[ . 1 . 2 ]" 1 2074 1 126 THR H 1 126 THR MG 4.000 . 5.500 3.745 3.713 3.775 . 0 0 "[ . 1 . 2 ]" 1 2075 1 128 MET HA 1 128 MET ME 4.000 . 5.500 3.731 3.236 3.980 . 0 0 "[ . 1 . 2 ]" 1 2076 1 129 ILE H 1 129 ILE MG 3.500 . 4.500 2.226 2.154 2.328 . 0 0 "[ . 1 . 2 ]" 1 2077 1 129 ILE H 1 129 ILE MD 4.000 . 5.500 3.704 3.671 3.747 . 0 0 "[ . 1 . 2 ]" 1 2078 1 129 ILE MD 1 129 ILE MG 2.500 . 3.500 2.145 2.011 2.343 . 0 0 "[ . 1 . 2 ]" 1 2079 1 129 ILE HB 1 129 ILE MD 2.500 . 3.500 2.193 2.093 2.270 . 0 0 "[ . 1 . 2 ]" 1 2080 1 129 ILE HA 1 129 ILE MG 3.500 . 4.500 2.313 2.235 2.380 . 0 0 "[ . 1 . 2 ]" 1 2081 1 129 ILE HA 1 129 ILE MD 4.000 . 5.500 4.109 4.083 4.122 . 0 0 "[ . 1 . 2 ]" 1 2082 1 131 LEU H 1 131 LEU MD1 4.000 . 5.500 3.335 1.964 3.709 . 0 0 "[ . 1 . 2 ]" 1 2083 1 131 LEU HA 1 131 LEU MD1 4.000 . 5.500 3.825 3.519 3.896 . 0 0 "[ . 1 . 2 ]" 1 2084 1 131 LEU HA 1 131 LEU MD2 2.500 . 3.500 2.289 1.994 3.339 . 0 0 "[ . 1 . 2 ]" 1 2085 1 137 THR HA 1 137 THR MG 3.500 . 4.500 2.219 2.112 2.355 . 0 0 "[ . 1 . 2 ]" 1 2086 1 137 THR H 1 137 THR MG 3.500 . 4.500 3.968 3.845 4.025 . 0 0 "[ . 1 . 2 ]" 1 2087 1 143 THR H 1 143 THR MG 4.000 . 5.500 3.817 3.781 3.856 . 0 0 "[ . 1 . 2 ]" 1 2088 1 143 THR HA 1 143 THR MG 2.500 . 3.500 2.257 2.119 2.347 . 0 0 "[ . 1 . 2 ]" 1 2089 1 144 VAL HA 1 144 VAL MG1 3.500 . 4.500 2.301 2.237 2.378 . 0 0 "[ . 1 . 2 ]" 1 2090 1 144 VAL HA 1 144 VAL MG2 3.500 . 4.500 2.380 2.336 2.445 . 0 0 "[ . 1 . 2 ]" 1 2091 1 147 THR H 1 147 THR MG 3.500 . 4.500 2.245 1.995 2.581 . 0 0 "[ . 1 . 2 ]" 1 2092 1 147 THR HA 1 147 THR MG 3.500 . 4.500 2.304 2.189 2.375 . 0 0 "[ . 1 . 2 ]" 1 2093 1 150 ALA H 1 150 ALA MB 2.500 . 3.500 2.238 2.151 2.340 . 0 0 "[ . 1 . 2 ]" 1 2094 1 151 LEU HA 1 151 LEU MD2 2.500 . 3.500 2.061 1.965 2.213 . 0 0 "[ . 1 . 2 ]" 1 2095 1 151 LEU HA 1 151 LEU MD1 4.000 . 5.500 3.802 3.754 3.850 . 0 0 "[ . 1 . 2 ]" 1 2096 1 151 LEU H 1 151 LEU MD2 4.000 . 5.500 3.936 3.735 4.179 . 0 0 "[ . 1 . 2 ]" 1 2097 1 151 LEU H 1 151 LEU MD1 4.000 . 5.500 3.654 3.487 4.311 . 0 0 "[ . 1 . 2 ]" 1 2098 1 152 THR H 1 152 THR MG 4.000 . 5.500 3.789 3.732 3.822 . 0 0 "[ . 1 . 2 ]" 1 2099 1 152 THR HA 1 152 THR MG 3.000 . 4.000 2.248 2.166 2.343 . 0 0 "[ . 1 . 2 ]" 1 2100 1 154 THR H 1 154 THR MG 4.000 . 5.500 3.953 3.918 4.019 . 0 0 "[ . 1 . 2 ]" 1 2101 1 154 THR HA 1 154 THR MG 3.500 . 4.500 2.300 2.118 2.374 . 0 0 "[ . 1 . 2 ]" 1 2102 1 162 ALA H 1 162 ALA MB 2.500 . 3.500 2.612 2.205 2.897 . 0 0 "[ . 1 . 2 ]" 1 2103 1 4 LEU H 1 4 LEU QB 3.500 . 4.000 2.765 2.595 2.843 . 0 0 "[ . 1 . 2 ]" 1 2104 1 5 TRP H 1 5 TRP QB 3.500 . 4.000 3.177 3.111 3.195 . 0 0 "[ . 1 . 2 ]" 1 2105 1 7 GLN H 1 7 GLN QG 3.500 . 4.000 2.229 1.984 2.377 . 0 0 "[ . 1 . 2 ]" 1 2106 1 9 ARG H 1 9 ARG QG 3.500 . 4.000 1.978 1.958 2.056 . 0 0 "[ . 1 . 2 ]" 1 2107 1 9 ARG HA 1 9 ARG QD 4.000 . 5.000 4.393 4.213 4.523 . 0 0 "[ . 1 . 2 ]" 1 2108 1 9 ARG HA 1 9 ARG QG 3.500 . 4.000 3.309 3.301 3.317 . 0 0 "[ . 1 . 2 ]" 1 2109 1 13 ILE H 1 13 ILE QG 4.000 . 5.000 2.023 1.940 2.333 . 0 0 "[ . 1 . 2 ]" 1 2110 1 15 LYS H 1 15 LYS QG 4.000 . 5.000 4.202 4.140 4.252 . 0 0 "[ . 1 . 2 ]" 1 2111 1 15 LYS HA 1 15 LYS QG 2.500 . 3.000 2.303 2.223 2.381 . 0 0 "[ . 1 . 2 ]" 1 2112 1 15 LYS H 1 15 LYS QB 3.000 . 3.500 2.827 2.703 2.935 . 0 0 "[ . 1 . 2 ]" 1 2113 1 16 ASP H 1 16 ASP QB 3.500 . 4.000 3.201 3.128 3.311 . 0 0 "[ . 1 . 2 ]" 1 2114 1 18 HIS H 1 18 HIS QB 3.500 . 4.000 2.803 2.763 3.225 . 0 0 "[ . 1 . 2 ]" 1 2115 1 18 HIS QB 1 18 HIS HD2 3.500 . 4.000 2.740 2.697 2.776 . 0 0 "[ . 1 . 2 ]" 1 2116 1 21 TRP QB 1 21 TRP HE3 2.500 . 3.000 2.507 2.485 2.529 . 0 0 "[ . 1 . 2 ]" 1 2117 1 22 HIS H 1 22 HIS QB 3.500 . 4.000 2.667 2.566 2.746 . 0 0 "[ . 1 . 2 ]" 1 2118 1 24 PRO HA 1 24 PRO QG 3.000 . 3.500 3.420 3.336 3.473 . 0 0 "[ . 1 . 2 ]" 1 2119 1 25 ASP H 1 25 ASP QB 2.500 . 3.000 2.259 2.164 2.283 . 0 0 "[ . 1 . 2 ]" 1 2120 1 28 HIS H 1 28 HIS QB 3.000 . 3.500 2.482 2.391 2.534 . 0 0 "[ . 1 . 2 ]" 1 2121 1 29 TYR H 1 29 TYR QB 3.500 . 4.000 2.257 2.220 2.316 . 0 0 "[ . 1 . 2 ]" 1 2122 1 30 PHE H 1 30 PHE QB 2.500 . 3.000 2.273 2.255 2.282 . 0 0 "[ . 1 . 2 ]" 1 2123 1 31 ARG HA 1 31 ARG QG 3.500 . 4.000 2.270 2.092 2.412 . 0 0 "[ . 1 . 2 ]" 1 2124 1 31 ARG HA 1 31 ARG QD 4.000 . 5.000 3.920 3.448 4.137 . 0 0 "[ . 1 . 2 ]" 1 2125 1 31 ARG H 1 31 ARG QG 4.000 . 5.000 3.949 3.779 3.997 . 0 0 "[ . 1 . 2 ]" 1 2126 1 33 GLN H 1 33 GLN QG 2.500 . 3.000 2.534 2.287 3.021 0.021 8 0 "[ . 1 . 2 ]" 1 2127 1 37 LYS H 1 37 LYS QB 2.500 . 3.000 2.724 2.319 2.864 . 0 0 "[ . 1 . 2 ]" 1 2128 1 37 LYS H 1 37 LYS QG 3.000 . 3.500 3.255 2.666 3.521 0.021 7 0 "[ . 1 . 2 ]" 1 2129 1 37 LYS HA 1 37 LYS QG 3.500 . 4.000 2.325 2.150 2.864 . 0 0 "[ . 1 . 2 ]" 1 2130 1 38 ILE H 1 38 ILE QG 4.000 . 5.000 2.374 2.263 2.473 . 0 0 "[ . 1 . 2 ]" 1 2131 1 39 MET H 1 39 MET QB 3.500 . 4.000 2.323 2.217 2.423 . 0 0 "[ . 1 . 2 ]" 1 2132 1 39 MET H 1 39 MET QG 4.000 . 5.000 3.992 3.903 4.056 . 0 0 "[ . 1 . 2 ]" 1 2133 1 43 ARG H 1 43 ARG QG 4.000 . 5.000 3.671 2.711 4.010 . 0 0 "[ . 1 . 2 ]" 1 2134 1 43 ARG HA 1 43 ARG QG 2.500 . 3.000 2.169 1.997 2.358 . 0 0 "[ . 1 . 2 ]" 1 2135 1 43 ARG HA 1 43 ARG QD 4.000 . 5.000 3.645 2.269 4.052 . 0 0 "[ . 1 . 2 ]" 1 2136 1 43 ARG H 1 43 ARG QB 3.500 . 4.000 2.240 2.108 2.320 . 0 0 "[ . 1 . 2 ]" 1 2137 1 44 ARG H 1 44 ARG QG 4.000 . 5.000 3.391 2.057 4.066 . 0 0 "[ . 1 . 2 ]" 1 2138 1 44 ARG HA 1 44 ARG QG 2.500 . 3.000 2.233 2.021 2.684 . 0 0 "[ . 1 . 2 ]" 1 2139 1 44 ARG H 1 44 ARG QD 5.000 . 6.000 3.978 2.256 4.711 . 0 0 "[ . 1 . 2 ]" 1 2140 1 46 TYR H 1 46 TYR QB 3.500 . 4.000 2.263 2.249 2.275 . 0 0 "[ . 1 . 2 ]" 1 2141 1 47 GLU H 1 47 GLU QB 2.500 . 3.000 2.317 2.195 2.464 . 0 0 "[ . 1 . 2 ]" 1 2142 1 47 GLU H 1 47 GLU QG 2.500 . 3.000 2.532 2.148 2.844 . 0 0 "[ . 1 . 2 ]" 1 2143 1 47 GLU HA 1 47 GLU QG 2.500 . 3.000 2.377 2.104 2.680 . 0 0 "[ . 1 . 2 ]" 1 2144 1 48 SER H 1 48 SER QB 2.500 . 3.000 2.370 2.227 2.879 . 0 0 "[ . 1 . 2 ]" 1 2145 1 49 PHE H 1 49 PHE QB 2.500 . 3.000 2.506 2.201 2.601 . 0 0 "[ . 1 . 2 ]" 1 2146 1 51 LYS H 1 51 LYS QG 4.000 . 5.000 4.087 4.011 4.152 . 0 0 "[ . 1 . 2 ]" 1 2147 1 51 LYS HA 1 51 LYS QG 2.500 . 3.000 2.272 2.068 2.472 . 0 0 "[ . 1 . 2 ]" 1 2148 1 51 LYS QE 1 51 LYS QG 2.500 . 3.000 2.185 2.045 2.387 . 0 0 "[ . 1 . 2 ]" 1 2149 1 51 LYS QB 1 51 LYS QE 4.000 . 5.000 2.967 2.090 3.749 . 0 0 "[ . 1 . 2 ]" 1 2150 1 52 ARG H 1 52 ARG QB 3.500 . 4.000 2.544 2.441 2.656 . 0 0 "[ . 1 . 2 ]" 1 2151 1 52 ARG H 1 52 ARG QG 3.500 . 4.000 2.519 2.147 3.666 . 0 0 "[ . 1 . 2 ]" 1 2152 1 54 LEU H 1 54 LEU QB 2.500 . 3.000 2.365 2.260 2.439 . 0 0 "[ . 1 . 2 ]" 1 2153 1 55 PRO HA 1 55 PRO QD 3.500 . 4.000 3.517 3.508 3.523 . 0 0 "[ . 1 . 2 ]" 1 2154 1 56 GLU H 1 56 GLU QG 4.000 . 5.000 3.371 2.585 4.381 . 0 0 "[ . 1 . 2 ]" 1 2155 1 57 ARG H 1 57 ARG QG 2.500 . 3.000 2.514 2.487 2.710 . 0 0 "[ . 1 . 2 ]" 1 2156 1 57 ARG H 1 57 ARG QB 3.500 . 4.000 3.389 3.374 3.448 . 0 0 "[ . 1 . 2 ]" 1 2157 1 57 ARG HE 1 57 ARG QG 2.500 . 3.000 2.178 2.086 2.866 . 0 0 "[ . 1 . 2 ]" 1 2158 1 57 ARG QB 1 57 ARG HE 4.000 . 5.000 3.088 2.757 4.291 . 0 0 "[ . 1 . 2 ]" 1 2159 1 59 ASN H 1 59 ASN QB 2.500 . 3.000 2.501 2.335 2.699 . 0 0 "[ . 1 . 2 ]" 1 2160 1 64 HIS QB 1 64 HIS HD2 3.500 . 4.000 2.857 2.681 3.189 . 0 0 "[ . 1 . 2 ]" 1 2161 1 65 GLN H 1 65 GLN QB 2.500 . 3.000 2.562 2.321 2.733 . 0 0 "[ . 1 . 2 ]" 1 2162 1 65 GLN H 1 65 GLN QG 4.000 . 5.000 4.144 3.993 4.197 . 0 0 "[ . 1 . 2 ]" 1 2163 1 65 GLN HA 1 65 GLN QG 2.500 . 3.000 2.266 2.014 2.634 . 0 0 "[ . 1 . 2 ]" 1 2164 1 66 GLU H 1 66 GLU QG 2.500 . 3.000 2.570 1.969 3.000 0.000 18 0 "[ . 1 . 2 ]" 1 2165 1 66 GLU H 1 66 GLU QB 2.500 . 3.000 2.458 2.286 2.869 . 0 0 "[ . 1 . 2 ]" 1 2166 1 67 ASP H 1 67 ASP QB 3.500 . 4.000 2.558 2.349 2.892 . 0 0 "[ . 1 . 2 ]" 1 2167 1 68 TYR H 1 68 TYR QB 2.500 . 3.000 2.281 2.158 2.359 . 0 0 "[ . 1 . 2 ]" 1 2168 1 69 GLN H 1 69 GLN QG 3.500 . 4.000 3.152 2.634 3.962 . 0 0 "[ . 1 . 2 ]" 1 2169 1 71 GLN H 1 71 GLN QG 3.500 . 4.000 2.900 2.389 3.620 . 0 0 "[ . 1 . 2 ]" 1 2170 1 77 HIS H 1 77 HIS QB 3.500 . 4.000 2.803 2.677 2.886 . 0 0 "[ . 1 . 2 ]" 1 2171 1 77 HIS QB 1 77 HIS HD2 2.500 . 4.000 2.831 2.681 3.148 . 0 0 "[ . 1 . 2 ]" 1 2172 1 87 LYS H 1 87 LYS QB 2.500 . 3.000 2.238 2.115 2.353 . 0 0 "[ . 1 . 2 ]" 1 2173 1 87 LYS H 1 87 LYS QG 4.000 . 5.000 3.684 2.476 4.063 . 0 0 "[ . 1 . 2 ]" 1 2174 1 87 LYS HA 1 87 LYS QG 2.500 . 3.000 2.240 2.057 2.563 . 0 0 "[ . 1 . 2 ]" 1 2175 1 87 LYS QE 1 87 LYS QG 2.500 . 3.000 2.181 2.017 2.426 . 0 0 "[ . 1 . 2 ]" 1 2176 1 87 LYS HA 1 87 LYS QD 4.000 . 5.000 3.773 2.340 4.104 . 0 0 "[ . 1 . 2 ]" 1 2177 1 88 GLN H 1 88 GLN QB 3.500 . 4.000 2.221 2.093 2.452 . 0 0 "[ . 1 . 2 ]" 1 2178 1 88 GLN H 1 88 GLN QG 3.500 . 4.000 3.061 2.314 4.009 0.009 1 0 "[ . 1 . 2 ]" 1 2179 1 91 ASP H 1 91 ASP QB 3.000 . 3.500 2.354 2.231 2.799 . 0 0 "[ . 1 . 2 ]" 1 2180 1 92 GLN H 1 92 GLN QG 4.000 . 4.500 2.932 2.290 4.082 . 0 0 "[ . 1 . 2 ]" 1 2181 1 92 GLN HA 1 92 GLN QG 3.500 . 4.000 2.328 2.030 2.757 . 0 0 "[ . 1 . 2 ]" 1 2182 1 93 GLU H 1 93 GLU QB 3.500 . 4.000 2.460 2.275 2.605 . 0 0 "[ . 1 . 2 ]" 1 2183 1 93 GLU HA 1 93 GLU QG 3.500 . 4.000 2.403 2.140 2.780 . 0 0 "[ . 1 . 2 ]" 1 2184 1 94 LEU H 1 94 LEU QB 2.500 . 3.000 2.391 2.288 2.599 . 0 0 "[ . 1 . 2 ]" 1 2185 1 96 ILE H 1 96 ILE QG 3.500 . 4.000 2.351 2.194 2.500 . 0 0 "[ . 1 . 2 ]" 1 2186 1 101 GLN H 1 101 GLN QB 3.500 . 4.000 2.238 2.148 2.330 . 0 0 "[ . 1 . 2 ]" 1 2187 1 102 ILE H 1 102 ILE QG 2.500 . 3.500 2.055 1.989 2.167 . 0 0 "[ . 1 . 2 ]" 1 2188 1 106 PHE H 1 106 PHE QB 3.500 . 4.000 2.494 2.380 2.564 . 0 0 "[ . 1 . 2 ]" 1 2189 1 107 LYS H 1 107 LYS QB 2.500 . 3.000 2.316 2.195 2.372 . 0 0 "[ . 1 . 2 ]" 1 2190 1 107 LYS H 1 107 LYS QG 4.000 . 5.000 4.013 3.872 4.083 . 0 0 "[ . 1 . 2 ]" 1 2191 1 107 LYS H 1 107 LYS QD 4.000 . 5.000 4.401 4.158 4.487 . 0 0 "[ . 1 . 2 ]" 1 2192 1 107 LYS HA 1 107 LYS QG 2.500 . 3.000 2.386 2.216 2.692 . 0 0 "[ . 1 . 2 ]" 1 2193 1 107 LYS QE 1 107 LYS QG 2.500 . 3.000 2.161 2.028 2.272 . 0 0 "[ . 1 . 2 ]" 1 2194 1 108 ASP H 1 108 ASP QB 2.500 . 3.000 2.316 2.212 2.396 . 0 0 "[ . 1 . 2 ]" 1 2195 1 109 ASP H 1 109 ASP QB 2.500 . 3.000 2.683 2.305 2.827 . 0 0 "[ . 1 . 2 ]" 1 2196 1 117 ARG HA 1 117 ARG QG 2.500 . 3.000 2.223 2.015 2.716 . 0 0 "[ . 1 . 2 ]" 1 2197 1 117 ARG QB 1 117 ARG QD 2.500 . 3.000 2.076 1.948 2.134 . 0 0 "[ . 1 . 2 ]" 1 2198 1 121 SER H 1 121 SER QB 3.000 . 3.500 2.634 2.273 2.936 . 0 0 "[ . 1 . 2 ]" 1 2199 1 123 GLU H 1 123 GLU QB 2.500 . 3.000 2.816 2.436 3.003 0.003 9 0 "[ . 1 . 2 ]" 1 2200 1 123 GLU HA 1 123 GLU QG 3.500 . 4.000 3.032 2.206 3.385 . 0 0 "[ . 1 . 2 ]" 1 2201 1 127 LYS H 1 127 LYS QB 2.500 . 3.000 2.509 2.360 2.684 . 0 0 "[ . 1 . 2 ]" 1 2202 1 128 MET H 1 128 MET QG 4.000 . 5.000 4.074 3.901 4.099 . 0 0 "[ . 1 . 2 ]" 1 2203 1 129 ILE H 1 129 ILE QG 2.500 . 3.000 1.995 1.956 2.054 . 0 0 "[ . 1 . 2 ]" 1 2204 1 133 TRP H 1 133 TRP QB 2.500 . 3.000 2.477 2.443 2.520 . 0 0 "[ . 1 . 2 ]" 1 2205 1 133 TRP QB 1 133 TRP HE3 2.500 . 3.000 2.657 2.560 2.767 . 0 0 "[ . 1 . 2 ]" 1 2206 1 135 ASP H 1 135 ASP QB 2.500 . 3.000 2.353 2.237 2.503 . 0 0 "[ . 1 . 2 ]" 1 2207 1 138 LYS QB 1 138 LYS QE 3.000 . 3.500 2.285 2.011 2.902 . 0 0 "[ . 1 . 2 ]" 1 2208 1 138 LYS HA 1 138 LYS QD 4.000 . 5.000 3.702 3.611 3.894 . 0 0 "[ . 1 . 2 ]" 1 2209 1 140 SER H 1 140 SER QB 3.500 . 4.000 2.556 2.324 2.737 . 0 0 "[ . 1 . 2 ]" 1 2210 1 142 ARG H 1 142 ARG QB 3.500 . 4.000 2.518 2.288 2.819 . 0 0 "[ . 1 . 2 ]" 1 2211 1 142 ARG H 1 142 ARG QG 4.000 . 5.000 4.124 4.018 4.292 . 0 0 "[ . 1 . 2 ]" 1 2212 1 145 GLU H 1 145 GLU QG 4.000 . 5.000 3.156 1.971 4.126 . 0 0 "[ . 1 . 2 ]" 1 2213 1 145 GLU H 1 145 GLU QB 3.500 . 4.000 2.474 2.289 3.161 . 0 0 "[ . 1 . 2 ]" 1 2214 1 145 GLU HA 1 145 GLU QG 3.500 . 4.000 2.399 2.085 3.385 . 0 0 "[ . 1 . 2 ]" 1 2215 1 146 ASP H 1 146 ASP QB 3.000 . 3.500 2.349 2.218 2.523 . 0 0 "[ . 1 . 2 ]" 1 2216 1 153 HIS QB 1 153 HIS HD2 3.500 . 4.000 2.704 2.688 2.730 . 0 0 "[ . 1 . 2 ]" 1 2217 1 156 GLU H 1 156 GLU QG 3.500 . 4.000 3.053 2.478 3.907 . 0 0 "[ . 1 . 2 ]" 1 2218 1 158 TRP QB 1 158 TRP HZ3 4.000 . 5.000 4.782 4.745 4.812 . 0 0 "[ . 1 . 2 ]" 1 2219 1 158 TRP QB 1 158 TRP HE3 3.500 . 4.000 2.490 2.451 2.526 . 0 0 "[ . 1 . 2 ]" 1 2220 1 159 GLN H 1 159 GLN QB 3.000 . 3.500 2.502 2.314 2.698 . 0 0 "[ . 1 . 2 ]" 1 2221 1 159 GLN HA 1 159 GLN QG 3.000 . 3.500 2.197 2.044 2.390 . 0 0 "[ . 1 . 2 ]" 1 2222 1 160 LYS HA 1 160 LYS QD 4.000 . 5.000 3.670 2.228 4.011 . 0 0 "[ . 1 . 2 ]" 1 2223 1 160 LYS H 1 160 LYS QG 4.000 . 5.000 3.977 3.889 4.072 . 0 0 "[ . 1 . 2 ]" 1 2224 1 161 LYS H 1 161 LYS QB 2.500 . 3.000 2.497 2.207 3.063 0.063 10 0 "[ . 1 . 2 ]" 1 2225 1 161 LYS H 1 161 LYS QG 2.500 . 3.000 2.316 1.939 2.842 . 0 0 "[ . 1 . 2 ]" 1 2226 1 161 LYS HA 1 161 LYS QD 4.000 . 5.000 4.049 3.542 4.486 . 0 0 "[ . 1 . 2 ]" 1 2227 1 161 LYS HA 1 161 LYS QE 5.000 . 6.000 4.473 3.544 5.446 . 0 0 "[ . 1 . 2 ]" 1 2228 1 161 LYS QB 1 161 LYS QE 4.000 . 5.000 2.942 2.055 3.693 . 0 0 "[ . 1 . 2 ]" 1 2229 1 161 LYS H 1 161 LYS QE 5.000 . 6.000 4.121 2.186 5.080 . 0 0 "[ . 1 . 2 ]" 1 2230 1 3 PHE H 1 3 PHE HB2 3.000 . 3.500 2.202 2.173 2.299 . 0 0 "[ . 1 . 2 ]" 1 2231 1 3 PHE H 1 3 PHE HB3 4.000 . 5.000 3.514 3.491 3.538 . 0 0 "[ . 1 . 2 ]" 1 2232 1 4 LEU HA 1 4 LEU HG 4.000 . 5.000 2.729 2.648 2.842 . 0 0 "[ . 1 . 2 ]" 1 2233 1 4 LEU H 1 4 LEU HG 4.000 . 5.000 4.499 4.452 4.536 . 0 0 "[ . 1 . 2 ]" 1 2234 1 5 TRP H 1 5 TRP HE3 3.000 . 3.500 2.215 2.098 2.244 . 0 0 "[ . 1 . 2 ]" 1 2235 1 5 TRP HA 1 5 TRP HE3 4.000 . 5.000 4.089 4.073 4.111 . 0 0 "[ . 1 . 2 ]" 1 2236 1 5 TRP HA 1 5 TRP HD1 4.000 . 5.000 4.536 4.528 4.544 . 0 0 "[ . 1 . 2 ]" 1 2237 1 8 ASP H 1 8 ASP HB3 3.500 . 4.000 3.113 3.019 3.193 . 0 0 "[ . 1 . 2 ]" 1 2238 1 8 ASP H 1 8 ASP HB2 4.000 . 5.000 3.741 3.690 3.789 . 0 0 "[ . 1 . 2 ]" 1 2239 1 9 ARG H 1 9 ARG HB3 3.500 . 4.000 2.627 2.579 2.705 . 0 0 "[ . 1 . 2 ]" 1 2240 1 9 ARG H 1 9 ARG HB2 3.500 . 4.000 3.619 3.614 3.625 . 0 0 "[ . 1 . 2 ]" 1 2241 1 12 LEU H 1 12 LEU HB3 3.000 . 3.500 2.729 2.596 2.904 . 0 0 "[ . 1 . 2 ]" 1 2242 1 12 LEU H 1 12 LEU HB2 3.000 . 3.500 2.569 2.330 2.717 . 0 0 "[ . 1 . 2 ]" 1 2243 1 12 LEU HA 1 12 LEU HG 4.000 . 5.000 2.568 2.449 2.693 . 0 0 "[ . 1 . 2 ]" 1 2244 1 19 LEU HA 1 19 LEU HG 4.000 . 5.000 2.613 2.339 2.903 . 0 0 "[ . 1 . 2 ]" 1 2245 1 21 TRP H 1 21 TRP HB3 4.000 . 5.000 3.007 2.880 3.115 . 0 0 "[ . 1 . 2 ]" 1 2246 1 21 TRP H 1 21 TRP HB2 4.000 . 5.000 3.705 3.659 3.747 . 0 0 "[ . 1 . 2 ]" 1 2247 1 21 TRP HA 1 21 TRP HE3 4.000 . 5.000 4.441 4.385 4.514 . 0 0 "[ . 1 . 2 ]" 1 2248 1 22 HIS HA 1 22 HIS HD2 4.000 . 5.000 4.362 3.882 4.656 . 0 0 "[ . 1 . 2 ]" 1 2249 1 22 HIS HA 1 22 HIS HE1 4.000 . 5.000 4.663 4.408 4.970 . 0 0 "[ . 1 . 2 ]" 1 2250 1 23 LEU H 1 23 LEU HB2 3.500 . 4.000 2.741 2.608 2.999 . 0 0 "[ . 1 . 2 ]" 1 2251 1 23 LEU H 1 23 LEU HB3 3.500 . 4.000 2.888 2.685 3.057 . 0 0 "[ . 1 . 2 ]" 1 2252 1 23 LEU HA 1 23 LEU HG 4.000 . 5.000 2.599 2.379 2.837 . 0 0 "[ . 1 . 2 ]" 1 2253 1 26 ASP H 1 26 ASP HB2 2.500 . 3.000 2.457 2.343 2.530 . 0 0 "[ . 1 . 2 ]" 1 2254 1 26 ASP H 1 26 ASP HB3 2.500 . 3.000 2.674 2.591 2.789 . 0 0 "[ . 1 . 2 ]" 1 2255 1 27 LEU H 1 27 LEU HB2 2.500 . 3.000 2.305 2.233 2.410 . 0 0 "[ . 1 . 2 ]" 1 2256 1 27 LEU H 1 27 LEU HB3 4.000 . 5.000 3.576 3.546 3.615 . 0 0 "[ . 1 . 2 ]" 1 2257 1 27 LEU H 1 27 LEU HG 2.500 . 3.000 2.600 2.343 2.831 . 0 0 "[ . 1 . 2 ]" 1 2258 1 27 LEU HA 1 27 LEU HG 4.000 . 5.000 2.589 2.440 2.795 . 0 0 "[ . 1 . 2 ]" 1 2259 1 28 HIS HB3 1 28 HIS HD2 4.000 . 5.000 3.549 3.481 3.627 . 0 0 "[ . 1 . 2 ]" 1 2260 1 28 HIS HB2 1 28 HIS HD2 4.000 . 5.000 2.794 2.765 2.827 . 0 0 "[ . 1 . 2 ]" 1 2261 1 31 ARG H 1 31 ARG HB3 3.000 . 3.500 2.724 2.592 2.992 . 0 0 "[ . 1 . 2 ]" 1 2262 1 31 ARG H 1 31 ARG HB2 3.000 . 3.500 2.412 2.192 2.568 . 0 0 "[ . 1 . 2 ]" 1 2263 1 34 THR H 1 34 THR HB 4.000 . 5.000 3.881 3.843 3.924 . 0 0 "[ . 1 . 2 ]" 1 2264 1 34 THR H 1 34 THR HG1 2.500 . 3.000 2.409 2.328 2.474 . 0 0 "[ . 1 . 2 ]" 1 2265 1 35 VAL H 1 35 VAL HB 4.000 . 5.000 3.620 3.617 3.622 . 0 0 "[ . 1 . 2 ]" 1 2266 1 38 ILE H 1 38 ILE HB 4.000 . 5.000 2.597 2.573 2.620 . 0 0 "[ . 1 . 2 ]" 1 2267 1 40 VAL H 1 40 VAL HB 3.000 . 3.500 2.604 2.573 2.698 . 0 0 "[ . 1 . 2 ]" 1 2268 1 44 ARG H 1 44 ARG HB2 2.500 . 3.000 2.248 2.106 2.504 . 0 0 "[ . 1 . 2 ]" 1 2269 1 44 ARG H 1 44 ARG HB3 3.000 . 3.500 3.221 2.657 3.594 0.094 18 0 "[ . 1 . 2 ]" 1 2270 1 45 THR H 1 45 THR HB 3.500 . 4.000 2.700 2.573 2.804 . 0 0 "[ . 1 . 2 ]" 1 2271 1 51 LYS H 1 51 LYS HB3 2.500 . 3.000 2.746 2.589 2.912 . 0 0 "[ . 1 . 2 ]" 1 2272 1 51 LYS H 1 51 LYS HB2 2.500 . 3.000 2.697 2.415 2.928 . 0 0 "[ . 1 . 2 ]" 1 2273 1 54 LEU H 1 54 LEU HG 3.000 . 3.500 2.613 2.248 3.127 . 0 0 "[ . 1 . 2 ]" 1 2274 1 57 ARG H 1 57 ARG HE 4.000 . 5.000 3.936 3.061 4.171 . 0 0 "[ . 1 . 2 ]" 1 2275 1 58 THR H 1 58 THR HB 4.000 . 4.500 2.686 2.583 2.788 . 0 0 "[ . 1 . 2 ]" 1 2276 1 60 VAL H 1 60 VAL HB 2.500 . 3.000 2.769 2.602 2.865 . 0 0 "[ . 1 . 2 ]" 1 2277 1 61 VAL H 1 61 VAL HB 3.000 . 3.500 2.572 2.563 2.601 . 0 0 "[ . 1 . 2 ]" 1 2278 1 62 LEU H 1 62 LEU HB3 2.500 . 3.000 2.701 2.580 2.828 . 0 0 "[ . 1 . 2 ]" 1 2279 1 62 LEU H 1 62 LEU HB2 3.500 . 4.500 2.975 2.784 3.225 . 0 0 "[ . 1 . 2 ]" 1 2280 1 62 LEU HA 1 62 LEU HG 2.500 . 3.000 2.723 2.595 2.833 . 0 0 "[ . 1 . 2 ]" 1 2281 1 62 LEU H 1 62 LEU HG 5.000 . 5.500 4.466 4.430 4.508 . 0 0 "[ . 1 . 2 ]" 1 2282 1 63 THR H 1 63 THR HB 4.000 . 5.000 3.298 3.095 3.462 . 0 0 "[ . 1 . 2 ]" 1 2283 1 64 HIS HA 1 64 HIS HD2 4.000 . 5.000 3.684 2.198 4.597 . 0 0 "[ . 1 . 2 ]" 1 2284 1 69 GLN H 1 69 GLN HB2 2.500 . 3.000 2.529 2.335 2.764 . 0 0 "[ . 1 . 2 ]" 1 2285 1 69 GLN H 1 69 GLN HB3 3.500 . 4.000 3.703 3.602 3.864 . 0 0 "[ . 1 . 2 ]" 1 2286 1 74 VAL H 1 74 VAL HB 3.500 . 4.000 2.583 2.564 2.647 . 0 0 "[ . 1 . 2 ]" 1 2287 1 75 VAL H 1 75 VAL HB 2.500 . 3.000 2.632 2.564 2.798 . 0 0 "[ . 1 . 2 ]" 1 2288 1 76 VAL H 1 76 VAL HB 4.000 . 5.000 3.740 3.659 3.848 . 0 0 "[ . 1 . 2 ]" 1 2289 1 77 HIS HA 1 77 HIS HD2 4.000 . 5.000 3.925 2.388 4.838 . 0 0 "[ . 1 . 2 ]" 1 2290 1 79 VAL H 1 79 VAL HB 2.500 . 3.000 2.618 2.594 2.634 . 0 0 "[ . 1 . 2 ]" 1 2291 1 82 VAL H 1 82 VAL HB 2.500 . 3.000 2.616 2.579 2.638 . 0 0 "[ . 1 . 2 ]" 1 2292 1 83 PHE H 1 83 PHE HB2 3.500 . 4.000 2.220 2.144 2.468 . 0 0 "[ . 1 . 2 ]" 1 2293 1 83 PHE H 1 83 PHE HB3 4.000 . 5.000 3.527 3.454 3.631 . 0 0 "[ . 1 . 2 ]" 1 2294 1 85 TYR H 1 85 TYR HB2 3.500 . 4.000 2.464 2.372 2.632 . 0 0 "[ . 1 . 2 ]" 1 2295 1 85 TYR H 1 85 TYR HB3 3.500 . 4.000 2.656 2.456 2.755 . 0 0 "[ . 1 . 2 ]" 1 2296 1 89 HIS H 1 89 HIS HB2 3.500 . 4.000 2.574 2.441 2.705 . 0 0 "[ . 1 . 2 ]" 1 2297 1 89 HIS H 1 89 HIS HB3 4.000 . 5.000 3.750 3.675 3.797 . 0 0 "[ . 1 . 2 ]" 1 2298 1 89 HIS H 1 89 HIS HD2 4.000 . 5.000 3.564 2.274 4.117 . 0 0 "[ . 1 . 2 ]" 1 2299 1 89 HIS HA 1 89 HIS HD2 4.000 . 5.000 2.648 2.134 3.638 . 0 0 "[ . 1 . 2 ]" 1 2300 1 94 LEU H 1 94 LEU HG 4.000 . 5.000 4.522 4.479 4.569 . 0 0 "[ . 1 . 2 ]" 1 2301 1 95 VAL H 1 95 VAL HB 3.500 . 4.000 2.669 2.603 2.734 . 0 0 "[ . 1 . 2 ]" 1 2302 1 96 ILE H 1 96 ILE HB 3.000 . 3.500 2.626 2.580 2.681 . 0 0 "[ . 1 . 2 ]" 1 2303 1 101 GLN HA 1 101 GLN HG3 4.000 . 5.000 2.677 2.166 3.534 . 0 0 "[ . 1 . 2 ]" 1 2304 1 101 GLN HA 1 101 GLN HG2 4.000 . 5.000 2.668 2.122 3.644 . 0 0 "[ . 1 . 2 ]" 1 2305 1 102 ILE H 1 102 ILE HB 2.500 . 3.000 2.574 2.557 2.592 . 0 0 "[ . 1 . 2 ]" 1 2306 1 103 PHE H 1 103 PHE HB2 3.500 . 4.000 2.344 2.289 2.456 . 0 0 "[ . 1 . 2 ]" 1 2307 1 103 PHE H 1 103 PHE HB3 4.000 . 5.000 3.591 3.573 3.620 . 0 0 "[ . 1 . 2 ]" 1 2308 1 104 THR H 1 104 THR HB 2.500 . 3.000 2.727 2.621 2.850 . 0 0 "[ . 1 . 2 ]" 1 2309 1 110 VAL H 1 110 VAL HB 3.000 . 3.500 3.367 3.177 3.503 0.003 14 0 "[ . 1 . 2 ]" 1 2310 1 111 ASP H 1 111 ASP HB3 3.500 . 4.000 3.425 2.911 3.823 . 0 0 "[ . 1 . 2 ]" 1 2311 1 111 ASP H 1 111 ASP HB2 4.000 . 5.000 3.147 2.393 3.803 . 0 0 "[ . 1 . 2 ]" 1 2312 1 112 THR H 1 112 THR HB 3.000 . 3.500 2.748 2.620 3.089 . 0 0 "[ . 1 . 2 ]" 1 2313 1 113 LEU H 1 113 LEU HB3 3.500 . 4.000 3.750 3.590 3.866 . 0 0 "[ . 1 . 2 ]" 1 2314 1 113 LEU H 1 113 LEU HB2 3.500 . 4.000 2.572 2.305 2.768 . 0 0 "[ . 1 . 2 ]" 1 2315 1 113 LEU H 1 113 LEU HG 2.500 . 3.000 2.814 2.550 3.004 0.004 18 0 "[ . 1 . 2 ]" 1 2316 1 114 LEU H 1 114 LEU HB2 3.500 . 4.000 2.437 2.273 2.524 . 0 0 "[ . 1 . 2 ]" 1 2317 1 114 LEU H 1 114 LEU HB3 4.000 . 5.000 3.649 3.570 3.701 . 0 0 "[ . 1 . 2 ]" 1 2318 1 114 LEU H 1 114 LEU HG 3.500 . 4.000 2.629 2.374 3.109 . 0 0 "[ . 1 . 2 ]" 1 2319 1 114 LEU HA 1 114 LEU HG 4.000 . 5.000 2.634 2.408 2.774 . 0 0 "[ . 1 . 2 ]" 1 2320 1 116 THR H 1 116 THR HB 2.500 . 3.000 2.688 2.603 2.815 . 0 0 "[ . 1 . 2 ]" 1 2321 1 117 ARG H 1 117 ARG HB2 3.500 . 4.000 2.322 2.183 2.516 . 0 0 "[ . 1 . 2 ]" 1 2322 1 117 ARG H 1 117 ARG HB3 3.500 . 4.000 3.585 3.499 3.655 . 0 0 "[ . 1 . 2 ]" 1 2323 1 118 LEU H 1 118 LEU HB2 3.500 . 5.000 2.249 2.158 2.300 . 0 0 "[ . 1 . 2 ]" 1 2324 1 118 LEU H 1 118 LEU HB3 4.000 . 5.000 3.494 3.342 3.583 . 0 0 "[ . 1 . 2 ]" 1 2325 1 118 LEU HA 1 118 LEU HG 3.500 . 4.000 2.105 2.009 2.190 . 0 0 "[ . 1 . 2 ]" 1 2326 1 122 PHE H 1 122 PHE HB2 3.500 . 4.000 2.886 2.803 2.922 . 0 0 "[ . 1 . 2 ]" 1 2327 1 122 PHE H 1 122 PHE HB3 4.000 . 5.000 3.940 3.896 3.958 . 0 0 "[ . 1 . 2 ]" 1 2328 1 125 ASP H 1 125 ASP HB3 4.000 . 5.000 3.473 2.780 3.855 . 0 0 "[ . 1 . 2 ]" 1 2329 1 125 ASP H 1 125 ASP HB2 4.000 . 5.000 2.806 2.354 3.755 . 0 0 "[ . 1 . 2 ]" 1 2330 1 126 THR H 1 126 THR HB 3.000 . 3.500 2.770 2.652 2.866 . 0 0 "[ . 1 . 2 ]" 1 2331 1 128 MET H 1 128 MET HB3 3.500 . 4.000 2.652 2.587 2.917 . 0 0 "[ . 1 . 2 ]" 1 2332 1 128 MET H 1 128 MET HB2 3.500 . 4.000 2.574 2.326 2.705 . 0 0 "[ . 1 . 2 ]" 1 2333 1 129 ILE H 1 129 ILE HB 4.000 . 6.000 3.616 3.613 3.620 . 0 0 "[ . 1 . 2 ]" 1 2334 1 131 LEU H 1 131 LEU HB3 4.000 . 5.000 3.681 3.634 3.782 . 0 0 "[ . 1 . 2 ]" 1 2335 1 131 LEU H 1 131 LEU HB2 2.500 . 3.000 2.471 2.367 2.635 . 0 0 "[ . 1 . 2 ]" 1 2336 1 131 LEU H 1 131 LEU HG 2.500 . 3.000 2.725 2.294 3.001 0.001 10 0 "[ . 1 . 2 ]" 1 2337 1 132 ASN H 1 132 ASN HB2 3.500 . 4.000 2.484 2.309 2.738 . 0 0 "[ . 1 . 2 ]" 1 2338 1 132 ASN H 1 132 ASN HB3 3.500 . 4.000 2.797 2.672 2.961 . 0 0 "[ . 1 . 2 ]" 1 2339 1 133 TRP H 1 133 TRP HD1 2.500 . 3.000 2.649 2.243 3.001 0.001 4 0 "[ . 1 . 2 ]" 1 2340 1 133 TRP HA 1 133 TRP HE3 3.000 . 3.500 2.963 2.660 3.271 . 0 0 "[ . 1 . 2 ]" 1 2341 1 133 TRP H 1 133 TRP HE1 4.000 . 5.000 4.740 4.369 5.005 0.005 13 0 "[ . 1 . 2 ]" 1 2342 1 133 TRP H 1 133 TRP HE3 5.000 . 6.000 5.298 5.063 5.475 . 0 0 "[ . 1 . 2 ]" 1 2343 1 133 TRP HA 1 133 TRP HD1 4.000 . 5.000 4.220 4.069 4.351 . 0 0 "[ . 1 . 2 ]" 1 2344 1 134 ASP H 1 134 ASP HB2 3.500 . 4.000 2.618 2.330 3.614 . 0 0 "[ . 1 . 2 ]" 1 2345 1 134 ASP H 1 134 ASP HB3 3.500 . 4.000 3.087 2.623 3.630 . 0 0 "[ . 1 . 2 ]" 1 2346 1 136 PHE H 1 136 PHE HB2 3.500 . 4.000 2.781 2.699 2.859 . 0 0 "[ . 1 . 2 ]" 1 2347 1 136 PHE H 1 136 PHE HB3 4.000 . 5.000 3.858 3.787 3.920 . 0 0 "[ . 1 . 2 ]" 1 2348 1 137 THR H 1 137 THR HB 3.500 . 4.000 2.916 2.691 3.074 . 0 0 "[ . 1 . 2 ]" 1 2349 1 138 LYS H 1 138 LYS HB3 2.500 . 3.000 2.761 2.632 3.009 0.009 7 0 "[ . 1 . 2 ]" 1 2350 1 138 LYS H 1 138 LYS HB2 2.500 . 3.000 2.515 2.294 2.723 . 0 0 "[ . 1 . 2 ]" 1 2351 1 139 VAL H 1 139 VAL HB 3.500 . 4.000 3.213 2.568 3.811 . 0 0 "[ . 1 . 2 ]" 1 2352 1 141 SER H 1 141 SER HB2 3.500 . 4.000 3.406 3.166 3.613 . 0 0 "[ . 1 . 2 ]" 1 2353 1 141 SER H 1 141 SER HB3 3.500 . 4.000 3.017 2.798 3.260 . 0 0 "[ . 1 . 2 ]" 1 2354 1 143 THR H 1 143 THR HB 2.500 . 3.000 2.699 2.622 2.806 . 0 0 "[ . 1 . 2 ]" 1 2355 1 144 VAL H 1 144 VAL HB 2.500 . 3.000 2.779 2.662 2.892 . 0 0 "[ . 1 . 2 ]" 1 2356 1 147 THR H 1 147 THR HB 3.500 . 4.000 3.605 3.565 3.618 . 0 0 "[ . 1 . 2 ]" 1 2357 1 148 ASN H 1 148 ASN HB2 3.500 . 4.000 2.457 2.278 2.752 . 0 0 "[ . 1 . 2 ]" 1 2358 1 148 ASN H 1 148 ASN HB3 3.500 . 4.000 3.627 2.800 3.760 . 0 0 "[ . 1 . 2 ]" 1 2359 1 151 LEU H 1 151 LEU HB2 3.500 . 4.000 2.407 2.281 2.779 . 0 0 "[ . 1 . 2 ]" 1 2360 1 151 LEU H 1 151 LEU HB3 4.000 . 5.000 3.646 3.564 3.864 . 0 0 "[ . 1 . 2 ]" 1 2361 1 151 LEU H 1 151 LEU HG 3.000 . 3.500 2.813 2.512 3.500 . 0 0 "[ . 1 . 2 ]" 1 2362 1 151 LEU HA 1 151 LEU HG 4.000 . 5.000 2.711 2.491 2.812 . 0 0 "[ . 1 . 2 ]" 1 2363 1 152 THR H 1 152 THR HB 2.500 . 3.000 2.662 2.602 2.779 . 0 0 "[ . 1 . 2 ]" 1 2364 1 153 HIS H 1 153 HIS HB3 4.000 . 5.000 3.375 3.258 3.502 . 0 0 "[ . 1 . 2 ]" 1 2365 1 153 HIS H 1 153 HIS HB2 4.000 . 5.000 3.882 3.811 3.966 . 0 0 "[ . 1 . 2 ]" 1 2366 1 154 THR H 1 154 THR HB 3.500 . 4.000 2.850 2.749 3.023 . 0 0 "[ . 1 . 2 ]" 1 2367 1 155 TYR H 1 155 TYR HB3 4.000 . 5.000 3.627 3.616 3.642 . 0 0 "[ . 1 . 2 ]" 1 2368 1 155 TYR H 1 155 TYR HB2 3.500 . 4.000 2.497 2.439 2.532 . 0 0 "[ . 1 . 2 ]" 1 2369 1 156 GLU H 1 156 GLU HB2 3.500 . 4.000 2.538 2.330 2.718 . 0 0 "[ . 1 . 2 ]" 1 2370 1 156 GLU H 1 156 GLU HB3 4.000 . 5.000 3.722 3.565 3.840 . 0 0 "[ . 1 . 2 ]" 1 2371 1 157 VAL H 1 157 VAL HB 2.500 . 3.000 2.636 2.574 2.726 . 0 0 "[ . 1 . 2 ]" 1 2372 1 158 TRP H 1 158 TRP HB3 4.000 . 5.000 3.644 3.613 3.695 . 0 0 "[ . 1 . 2 ]" 1 2373 1 158 TRP H 1 158 TRP HB2 3.000 . 3.500 2.417 2.343 2.508 . 0 0 "[ . 1 . 2 ]" 1 2374 1 158 TRP H 1 158 TRP HD1 2.500 . 3.000 2.253 2.072 2.475 . 0 0 "[ . 1 . 2 ]" 1 2375 1 160 LYS H 1 160 LYS HB3 3.500 . 4.000 2.757 2.590 2.900 . 0 0 "[ . 1 . 2 ]" 1 2376 1 160 LYS H 1 160 LYS HB2 3.500 . 4.000 2.427 2.258 2.582 . 0 0 "[ . 1 . 2 ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 86 _Distance_constraint_stats_list.Viol_count 38 _Distance_constraint_stats_list.Viol_total 432.044 _Distance_constraint_stats_list.Viol_max 1.348 _Distance_constraint_stats_list.Viol_rms 0.1088 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0114 _Distance_constraint_stats_list.Viol_average_violations_only 0.5414 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ALA 0.009 0.009 1 0 "[ . 1 . 2 ]" 1 3 PHE 0.013 0.008 4 0 "[ . 1 . 2 ]" 1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 5 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 26 ASP 20.499 1.348 11 10 "[** *.* - 1+ * ***]" 1 30 PHE 0.052 0.009 17 0 "[ . 1 . 2 ]" 1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 34 THR 0.052 0.009 17 0 "[ . 1 . 2 ]" 1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 39 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 94 LEU 0.009 0.009 1 0 "[ . 1 . 2 ]" 1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 96 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 106 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 112 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 114 LEU 0.013 0.008 4 0 "[ . 1 . 2 ]" 1 115 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 116 THR 20.499 1.348 11 10 "[** *.* - 1+ * ***]" 1 117 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 126 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 137 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 142 ARG 0.001 0.001 3 0 "[ . 1 . 2 ]" 1 144 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 153 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 154 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 155 TYR 0.001 0.001 3 0 "[ . 1 . 2 ]" 1 156 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 157 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 158 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 159 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ALA H 1 94 LEU O 2.300 . 2.500 2.263 2.144 2.310 . 0 0 "[ . 1 . 2 ]" 2 2 1 2 ALA N 1 94 LEU O 3.300 2.700 3.500 2.844 2.691 3.068 0.009 1 0 "[ . 1 . 2 ]" 2 3 1 3 PHE H 1 112 THR O 2.300 . 2.500 2.245 1.827 2.315 . 0 0 "[ . 1 . 2 ]" 2 4 1 3 PHE N 1 112 THR O 3.300 2.700 3.500 3.108 2.721 3.249 . 0 0 "[ . 1 . 2 ]" 2 5 1 4 LEU H 1 96 ILE O 2.300 . 2.500 2.306 2.276 2.332 . 0 0 "[ . 1 . 2 ]" 2 6 1 4 LEU N 1 96 ILE O 3.300 2.700 3.500 3.085 2.997 3.250 . 0 0 "[ . 1 . 2 ]" 2 7 1 5 TRP H 1 114 LEU O 2.300 . 2.500 2.306 2.255 2.326 . 0 0 "[ . 1 . 2 ]" 2 8 1 5 TRP N 1 114 LEU O 3.300 2.700 3.500 3.217 3.174 3.259 . 0 0 "[ . 1 . 2 ]" 2 9 1 7 GLN H 1 116 THR O 2.300 . 2.500 2.277 2.063 2.314 . 0 0 "[ . 1 . 2 ]" 2 10 1 7 GLN N 1 116 THR O 3.300 2.700 3.500 3.200 3.037 3.287 . 0 0 "[ . 1 . 2 ]" 2 11 1 13 ILE H 1 126 THR O 2.300 . 2.500 2.148 1.825 2.304 . 0 0 "[ . 1 . 2 ]" 2 12 1 13 ILE N 1 126 THR O 3.300 2.700 3.500 3.100 2.775 3.230 . 0 0 "[ . 1 . 2 ]" 2 13 1 31 ARG O 1 35 VAL H 2.300 . 2.500 2.247 2.062 2.313 . 0 0 "[ . 1 . 2 ]" 2 14 1 31 ARG O 1 35 VAL N 3.300 2.700 3.500 3.216 3.036 3.285 . 0 0 "[ . 1 . 2 ]" 2 15 1 38 ILE H 1 93 GLU O 2.300 . 2.500 2.185 1.824 2.309 . 0 0 "[ . 1 . 2 ]" 2 16 1 38 ILE N 1 93 GLU O 3.300 2.700 3.500 3.057 2.776 3.213 . 0 0 "[ . 1 . 2 ]" 2 17 1 39 MET H 1 58 THR O 2.300 . 2.500 2.161 1.914 2.307 . 0 0 "[ . 1 . 2 ]" 2 18 1 39 MET N 1 58 THR O 3.300 2.700 3.500 3.035 2.744 3.240 . 0 0 "[ . 1 . 2 ]" 2 19 1 40 VAL H 1 95 VAL O 2.300 . 2.500 2.071 1.916 2.233 . 0 0 "[ . 1 . 2 ]" 2 20 1 40 VAL N 1 95 VAL O 3.300 2.700 3.500 2.964 2.837 3.142 . 0 0 "[ . 1 . 2 ]" 2 21 1 41 VAL H 1 60 VAL O 2.300 . 2.500 2.196 2.020 2.301 . 0 0 "[ . 1 . 2 ]" 2 22 1 41 VAL N 1 60 VAL O 3.300 2.700 3.500 3.145 2.977 3.261 . 0 0 "[ . 1 . 2 ]" 2 23 1 42 GLY H 1 98 GLY O 2.300 . 2.500 2.298 2.246 2.310 . 0 0 "[ . 1 . 2 ]" 2 24 1 42 GLY N 1 98 GLY O 3.300 2.700 3.500 2.935 2.796 3.076 . 0 0 "[ . 1 . 2 ]" 2 25 1 42 GLY O 1 46 TYR H 2.300 . 2.500 2.235 1.854 2.305 . 0 0 "[ . 1 . 2 ]" 2 26 1 42 GLY O 1 46 TYR N 3.300 2.700 3.500 3.057 2.727 3.181 . 0 0 "[ . 1 . 2 ]" 2 27 1 43 ARG O 1 47 GLU H 2.300 . 2.500 2.230 1.964 2.306 . 0 0 "[ . 1 . 2 ]" 2 28 1 43 ARG O 1 47 GLU N 3.300 2.700 3.500 3.148 2.857 3.280 . 0 0 "[ . 1 . 2 ]" 2 29 1 39 MET O 1 60 VAL H 2.300 . 2.500 2.245 2.015 2.317 . 0 0 "[ . 1 . 2 ]" 2 30 1 39 MET O 1 60 VAL N 3.300 2.700 3.500 3.005 2.824 3.118 . 0 0 "[ . 1 . 2 ]" 2 31 1 61 VAL H 1 74 VAL O 2.300 . 2.500 2.193 1.892 2.310 . 0 0 "[ . 1 . 2 ]" 2 32 1 61 VAL N 1 74 VAL O 3.300 2.700 3.500 3.083 2.820 3.263 . 0 0 "[ . 1 . 2 ]" 2 33 1 41 VAL O 1 62 LEU H 2.300 . 2.500 2.299 2.230 2.310 . 0 0 "[ . 1 . 2 ]" 2 34 1 41 VAL O 1 62 LEU N 3.300 2.700 3.500 3.186 3.044 3.265 . 0 0 "[ . 1 . 2 ]" 2 35 1 59 ASN O 1 74 VAL H 2.300 . 2.500 2.193 1.782 2.313 . 0 0 "[ . 1 . 2 ]" 2 36 1 59 ASN O 1 74 VAL N 3.300 2.700 3.500 3.054 2.715 3.258 . 0 0 "[ . 1 . 2 ]" 2 37 1 61 VAL O 1 76 VAL H 2.300 . 2.500 2.224 2.038 2.305 . 0 0 "[ . 1 . 2 ]" 2 38 1 61 VAL O 1 76 VAL N 3.300 2.700 3.500 3.165 2.985 3.282 . 0 0 "[ . 1 . 2 ]" 2 39 1 78 ASP O 1 82 VAL H 2.300 . 2.500 2.309 2.294 2.332 . 0 0 "[ . 1 . 2 ]" 2 40 1 78 ASP O 1 82 VAL N 3.300 2.700 3.500 3.217 3.164 3.265 . 0 0 "[ . 1 . 2 ]" 2 41 1 81 ALA O 1 85 TYR H 2.300 . 2.500 2.202 1.932 2.313 . 0 0 "[ . 1 . 2 ]" 2 42 1 81 ALA O 1 85 TYR N 3.300 2.700 3.500 3.094 2.794 3.231 . 0 0 "[ . 1 . 2 ]" 2 43 1 38 ILE O 1 95 VAL H 2.300 . 2.500 2.167 1.948 2.302 . 0 0 "[ . 1 . 2 ]" 2 44 1 38 ILE O 1 95 VAL N 3.300 2.700 3.500 3.054 2.900 3.262 . 0 0 "[ . 1 . 2 ]" 2 45 1 2 ALA O 1 96 ILE H 2.300 . 2.500 2.015 1.781 2.307 . 0 0 "[ . 1 . 2 ]" 2 46 1 2 ALA O 1 96 ILE N 3.300 2.700 3.500 2.974 2.756 3.273 . 0 0 "[ . 1 . 2 ]" 2 47 1 40 VAL O 1 97 ALA H 2.300 . 2.500 2.262 2.086 2.315 . 0 0 "[ . 1 . 2 ]" 2 48 1 40 VAL O 1 97 ALA N 3.300 2.700 3.500 3.228 3.015 3.294 . 0 0 "[ . 1 . 2 ]" 2 49 1 99 GLY O 1 103 PHE H 2.300 . 2.500 2.220 2.138 2.300 . 0 0 "[ . 1 . 2 ]" 2 50 1 99 GLY O 1 103 PHE N 3.300 2.700 3.500 3.134 3.064 3.201 . 0 0 "[ . 1 . 2 ]" 2 51 1 102 ILE O 1 106 PHE H 2.300 . 2.500 2.298 2.272 2.316 . 0 0 "[ . 1 . 2 ]" 2 52 1 102 ILE O 1 106 PHE N 3.300 2.700 3.500 3.226 3.171 3.260 . 0 0 "[ . 1 . 2 ]" 2 53 1 113 LEU H 1 158 TRP O 2.300 . 2.500 2.035 1.787 2.229 . 0 0 "[ . 1 . 2 ]" 2 54 1 113 LEU N 1 158 TRP O 3.300 2.700 3.500 2.963 2.757 3.180 . 0 0 "[ . 1 . 2 ]" 2 55 1 3 PHE O 1 114 LEU H 2.300 . 2.500 1.980 1.793 2.204 . 0 0 "[ . 1 . 2 ]" 2 56 1 3 PHE O 1 114 LEU N 3.300 2.700 3.500 2.882 2.692 3.117 0.008 4 0 "[ . 1 . 2 ]" 2 57 1 115 VAL H 1 156 GLU O 2.300 . 2.500 2.292 2.207 2.311 . 0 0 "[ . 1 . 2 ]" 2 58 1 115 VAL N 1 156 GLU O 3.300 2.700 3.500 3.253 3.180 3.281 . 0 0 "[ . 1 . 2 ]" 2 59 1 5 TRP O 1 116 THR H 2.300 . 2.500 2.305 2.290 2.314 . 0 0 "[ . 1 . 2 ]" 2 60 1 5 TRP O 1 116 THR N 3.300 2.700 3.500 3.175 3.121 3.213 . 0 0 "[ . 1 . 2 ]" 2 61 1 117 ARG H 1 154 THR O 2.300 . 2.500 2.266 2.032 2.314 . 0 0 "[ . 1 . 2 ]" 2 62 1 117 ARG N 1 154 THR O 3.300 2.700 3.500 3.131 2.990 3.253 . 0 0 "[ . 1 . 2 ]" 2 63 1 7 GLN O 1 118 LEU H 2.300 . 2.500 2.297 2.246 2.307 . 0 0 "[ . 1 . 2 ]" 2 64 1 7 GLN O 1 118 LEU N 3.300 2.700 3.500 3.106 2.958 3.225 . 0 0 "[ . 1 . 2 ]" 2 65 1 137 THR H 1 159 GLN O 2.300 . 2.500 2.066 1.778 2.303 . 0 0 "[ . 1 . 2 ]" 2 66 1 137 THR N 1 159 GLN O 3.300 2.700 3.500 2.990 2.709 3.256 . 0 0 "[ . 1 . 2 ]" 2 67 1 144 VAL H 1 153 HIS O 2.300 . 2.500 2.180 2.028 2.302 . 0 0 "[ . 1 . 2 ]" 2 68 1 144 VAL N 1 153 HIS O 3.300 2.700 3.500 3.056 2.934 3.227 . 0 0 "[ . 1 . 2 ]" 2 69 1 144 VAL O 1 153 HIS H 2.300 . 2.500 2.298 2.260 2.312 . 0 0 "[ . 1 . 2 ]" 2 70 1 144 VAL O 1 153 HIS N 3.300 2.700 3.500 3.244 3.181 3.276 . 0 0 "[ . 1 . 2 ]" 2 71 1 117 ARG O 1 154 THR H 2.300 . 2.500 2.038 1.902 2.175 . 0 0 "[ . 1 . 2 ]" 2 72 1 117 ARG O 1 154 THR N 3.300 2.700 3.500 2.820 2.722 2.958 . 0 0 "[ . 1 . 2 ]" 2 73 1 142 ARG O 1 155 TYR H 2.300 . 2.500 2.224 1.925 2.307 . 0 0 "[ . 1 . 2 ]" 2 74 1 142 ARG O 1 155 TYR N 3.300 2.700 3.500 2.956 2.699 3.182 0.001 3 0 "[ . 1 . 2 ]" 2 75 1 115 VAL O 1 156 GLU H 2.300 . 2.500 2.108 1.995 2.237 . 0 0 "[ . 1 . 2 ]" 2 76 1 115 VAL O 1 156 GLU N 3.300 2.700 3.500 3.020 2.902 3.121 . 0 0 "[ . 1 . 2 ]" 2 77 1 140 SER O 1 157 VAL H 2.300 . 2.500 2.147 1.872 2.302 . 0 0 "[ . 1 . 2 ]" 2 78 1 140 SER O 1 157 VAL N 3.300 2.700 3.500 3.073 2.805 3.263 . 0 0 "[ . 1 . 2 ]" 2 79 1 113 LEU O 1 158 TRP H 2.300 . 2.500 2.256 1.997 2.312 . 0 0 "[ . 1 . 2 ]" 2 80 1 113 LEU O 1 158 TRP N 3.300 2.700 3.500 3.172 2.873 3.267 . 0 0 "[ . 1 . 2 ]" 2 81 1 137 THR O 1 159 GLN H 2.300 . 2.500 2.033 1.754 2.231 . 0 0 "[ . 1 . 2 ]" 2 82 1 137 THR O 1 159 GLN N 3.300 2.700 3.500 2.970 2.717 3.142 . 0 0 "[ . 1 . 2 ]" 2 83 1 30 PHE O 1 34 THR HG1 2.300 . 2.500 1.926 1.857 2.016 . 0 0 "[ . 1 . 2 ]" 2 84 1 30 PHE O 1 34 THR OG1 3.300 2.700 3.500 2.700 2.691 2.719 0.009 17 0 "[ . 1 . 2 ]" 2 85 1 26 ASP OD1 1 116 THR HG1 2.300 . 2.500 2.859 2.034 3.848 1.348 11 10 "[** *.* - 1+ * ***]" 2 86 1 26 ASP OD1 1 116 THR OG1 3.300 2.700 3.500 3.774 2.966 4.788 1.288 11 10 "[** *.* - 1+ * ***]" 2 stop_ save_
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:27:19 PM GMT (wattos1)