NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
559123 | 2m00 | 18788 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m00 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 193 _Distance_constraint_stats_list.Viol_count 241 _Distance_constraint_stats_list.Viol_total 202.319 _Distance_constraint_stats_list.Viol_max 0.283 _Distance_constraint_stats_list.Viol_rms 0.0137 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0026 _Distance_constraint_stats_list.Viol_average_violations_only 0.0420 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 5 LYS 0.053 0.029 4 0 "[ . 1 . 2]" 1 6 LYS 0.053 0.029 4 0 "[ . 1 . 2]" 1 7 LEU 0.393 0.076 6 0 "[ . 1 . 2]" 1 8 HIS 0.131 0.060 16 0 "[ . 1 . 2]" 1 9 LYS 0.262 0.076 6 0 "[ . 1 . 2]" 1 10 GLU 0.176 0.067 18 0 "[ . 1 . 2]" 1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 LYS 0.304 0.146 1 0 "[ . 1 . 2]" 1 17 ALA 0.304 0.146 1 0 "[ . 1 . 2]" 1 18 ILE 0.004 0.004 13 0 "[ . 1 . 2]" 1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 VAL 0.308 0.146 1 0 "[ . 1 . 2]" 1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 26 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 TYR 0.097 0.028 12 0 "[ . 1 . 2]" 1 28 LYS 0.097 0.028 12 0 "[ . 1 . 2]" 1 29 GLY 0.097 0.028 12 0 "[ . 1 . 2]" 1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 MET 0.008 0.008 4 0 "[ . 1 . 2]" 1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 LEU 1.686 0.141 18 0 "[ . 1 . 2]" 1 39 VAL 0.051 0.051 8 0 "[ . 1 . 2]" 1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 ALA 0.382 0.074 7 0 "[ . 1 . 2]" 1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 LYS 0.382 0.074 7 0 "[ . 1 . 2]" 1 64 LYS 0.497 0.077 14 0 "[ . 1 . 2]" 1 65 MET 0.296 0.076 11 0 "[ . 1 . 2]" 1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLU 0.250 0.036 20 0 "[ . 1 . 2]" 1 68 ASN 0.713 0.077 14 0 "[ . 1 . 2]" 1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 70 LYS 0.118 0.032 14 0 "[ . 1 . 2]" 1 71 LYS 1.517 0.093 6 0 "[ . 1 . 2]" 1 72 ILE 1.144 0.093 6 0 "[ . 1 . 2]" 1 73 GLU 0.176 0.067 18 0 "[ . 1 . 2]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 0.176 0.067 18 0 "[ . 1 . 2]" 1 76 PHE 0.068 0.062 7 0 "[ . 1 . 2]" 1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 78 LYS 0.524 0.283 9 0 "[ . 1 . 2]" 1 79 GLY 0.066 0.066 13 0 "[ . 1 . 2]" 1 80 GLN 0.117 0.117 13 0 "[ . 1 . 2]" 1 81 ARG 0.066 0.066 13 0 "[ . 1 . 2]" 1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 ILE 0.187 0.041 5 0 "[ . 1 . 2]" 1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 ASP 0.034 0.025 12 0 "[ . 1 . 2]" 1 96 GLY 0.271 0.085 14 0 "[ . 1 . 2]" 1 97 LYS 0.390 0.159 6 0 "[ . 1 . 2]" 1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 VAL 0.187 0.041 5 0 "[ . 1 . 2]" 1 100 ASN 0.051 0.051 8 0 "[ . 1 . 2]" 1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 LEU 0.966 0.114 15 0 "[ . 1 . 2]" 1 104 VAL 0.142 0.040 3 0 "[ . 1 . 2]" 1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 108 LEU 0.064 0.027 19 0 "[ . 1 . 2]" 1 109 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 111 VAL 0.057 0.057 17 0 "[ . 1 . 2]" 1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 116 LYS 0.151 0.074 6 0 "[ . 1 . 2]" 1 117 PRO 0.117 0.117 13 0 "[ . 1 . 2]" 1 118 ASN 0.066 0.066 13 0 "[ . 1 . 2]" 1 119 ASN 0.151 0.074 6 0 "[ . 1 . 2]" 1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 121 HIS 0.215 0.112 5 0 "[ . 1 . 2]" 1 122 GLU 1.471 0.141 18 0 "[ . 1 . 2]" 1 123 GLN 0.121 0.076 18 0 "[ . 1 . 2]" 1 124 LEU 0.659 0.112 5 0 "[ . 1 . 2]" 1 125 LEU 0.710 0.112 5 0 "[ . 1 . 2]" 1 126 ARG 0.974 0.076 18 0 "[ . 1 . 2]" 1 127 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 128 SER 0.444 0.092 13 0 "[ . 1 . 2]" 1 129 GLU 0.797 0.069 3 0 "[ . 1 . 2]" 1 130 ALA 0.534 0.069 3 0 "[ . 1 . 2]" 1 131 GLN 0.934 0.079 20 0 "[ . 1 . 2]" 1 132 ALA 0.366 0.056 1 0 "[ . 1 . 2]" 1 133 LYS 0.581 0.079 20 0 "[ . 1 . 2]" 1 134 LYS 0.400 0.079 20 0 "[ . 1 . 2]" 1 135 GLU 0.050 0.041 4 0 "[ . 1 . 2]" 1 136 LYS 0.050 0.041 4 0 "[ . 1 . 2]" 1 137 LEU 0.050 0.041 4 0 "[ . 1 . 2]" 1 138 ASN 0.105 0.032 9 0 "[ . 1 . 2]" 1 139 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 140 TRP 0.105 0.032 9 0 "[ . 1 . 2]" 1 141 SER 0.106 0.087 5 0 "[ . 1 . 2]" 1 142 GLU 0.106 0.087 5 0 "[ . 1 . 2]" 1 143 ASP 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 1 111 VAL QG 1 112 ALA H 2.300 . 2.800 2.118 2.019 2.238 . 0 0 "[ . 1 . 2]" 1 2 1 26 MET H 1 27 TYR H 3.150 . 4.500 3.259 3.097 3.389 . 0 0 "[ . 1 . 2]" 1 3 1 16 LYS H 1 17 ALA H 3.150 . 4.500 3.847 3.743 3.929 . 0 0 "[ . 1 . 2]" 1 4 1 16 LYS HA 1 17 ALA H 2.300 . 2.800 2.146 2.008 2.241 . 0 0 "[ . 1 . 2]" 1 5 1 14 LEU HA 1 17 ALA H 3.650 . 5.500 4.877 4.637 5.041 . 0 0 "[ . 1 . 2]" 1 6 1 16 LYS HB3 1 17 ALA H 2.650 . 3.500 3.030 2.584 3.646 0.146 1 0 "[ . 1 . 2]" 1 7 1 14 LEU HG 1 17 ALA H 2.650 . 3.500 3.034 2.179 3.316 . 0 0 "[ . 1 . 2]" 1 8 1 71 LYS HB3 1 72 ILE H 2.300 . 2.800 2.531 2.452 2.596 . 0 0 "[ . 1 . 2]" 1 9 1 71 LYS HG2 1 72 ILE H 2.650 . 3.500 3.557 3.514 3.593 0.093 6 0 "[ . 1 . 2]" 1 10 1 117 PRO QD 1 118 ASN H 3.150 . 4.500 2.885 2.713 3.103 . 0 0 "[ . 1 . 2]" 1 11 1 116 LYS HG2 1 118 ASN H 3.150 . 4.500 3.970 3.289 4.295 . 0 0 "[ . 1 . 2]" 1 12 1 12 ALA HA 1 28 LYS H 2.300 . 2.800 2.128 2.083 2.184 . 0 0 "[ . 1 . 2]" 1 13 1 12 ALA MB 1 28 LYS H 3.150 . 4.500 3.390 3.263 3.479 . 0 0 "[ . 1 . 2]" 1 14 1 66 VAL HA 1 95 ASP H 3.650 . 5.500 4.630 4.393 4.928 . 0 0 "[ . 1 . 2]" 1 15 1 71 LYS HB2 1 95 ASP H 3.150 . 4.500 4.252 3.505 4.509 0.009 18 0 "[ . 1 . 2]" 1 16 1 71 LYS HG3 1 95 ASP H 3.650 . 5.500 3.144 2.341 4.115 . 0 0 "[ . 1 . 2]" 1 17 1 25 LEU H 1 26 MET H 3.150 . 4.500 2.989 2.876 3.049 . 0 0 "[ . 1 . 2]" 1 18 1 13 THR H 1 25 LEU H 3.650 . 5.500 4.838 4.701 4.927 . 0 0 "[ . 1 . 2]" 1 19 1 24 LYS QG 1 25 LEU H 2.650 . 3.500 2.896 2.756 3.032 . 0 0 "[ . 1 . 2]" 1 20 1 97 LYS HB2 1 98 MET H 3.150 . 4.500 4.022 3.728 4.209 . 0 0 "[ . 1 . 2]" 1 21 1 97 LYS QG 1 98 MET H 3.150 . 4.500 4.143 3.586 4.389 . 0 0 "[ . 1 . 2]" 1 22 1 75 GLU HB3 1 76 PHE H 2.650 . 3.500 2.459 2.382 2.501 . 0 0 "[ . 1 . 2]" 1 23 1 7 LEU MD1 1 76 PHE H 3.650 . 5.500 4.857 4.129 5.562 0.062 7 0 "[ . 1 . 2]" 1 24 1 73 GLU QB 1 93 TYR H 3.150 . 4.500 3.364 3.179 3.712 . 0 0 "[ . 1 . 2]" 1 25 1 94 ALA H 1 98 MET HA 3.150 . 4.500 3.420 3.228 3.715 . 0 0 "[ . 1 . 2]" 1 26 1 94 ALA H 1 97 LYS HB3 3.150 . 4.500 4.283 4.123 4.469 . 0 0 "[ . 1 . 2]" 1 27 1 70 LYS H 1 70 LYS QE 3.650 . 5.500 3.523 1.775 4.181 0.025 12 0 "[ . 1 . 2]" 1 28 1 70 LYS H 1 70 LYS QD 2.650 . 3.500 2.340 2.002 2.779 . 0 0 "[ . 1 . 2]" 1 29 1 26 MET HA 1 32 MET H 2.300 . 2.800 2.165 2.127 2.195 . 0 0 "[ . 1 . 2]" 1 30 1 32 MET H 1 32 MET HB3 2.650 . 3.500 2.706 2.541 3.508 0.008 4 0 "[ . 1 . 2]" 1 31 1 24 LYS HB2 1 32 MET H 3.650 . 5.500 4.558 3.992 4.903 . 0 0 "[ . 1 . 2]" 1 32 1 13 THR HB 1 14 LEU H 2.650 . 3.500 2.809 2.791 2.836 . 0 0 "[ . 1 . 2]" 1 33 1 14 LEU MD2 1 15 ILE H 3.150 . 4.500 3.687 1.802 3.910 . 0 0 "[ . 1 . 2]" 1 34 1 89 LEU H 1 89 LEU QD 3.150 . 4.500 3.354 3.246 3.467 . 0 0 "[ . 1 . 2]" 1 35 1 126 ARG HB2 1 129 GLU H 3.150 . 4.500 4.480 4.358 4.556 0.056 1 0 "[ . 1 . 2]" 1 36 1 125 LEU MD2 1 129 GLU H 3.650 . 5.500 4.912 4.763 5.097 . 0 0 "[ . 1 . 2]" 1 37 1 7 LEU MD1 1 120 THR H 3.150 . 4.500 3.577 2.940 4.328 . 0 0 "[ . 1 . 2]" 1 38 1 35 ARG H 1 35 ARG HB3 3.150 . 4.500 2.566 1.919 3.309 . 0 0 "[ . 1 . 2]" 1 39 1 8 HIS QB 1 9 LYS H 2.650 . 3.500 2.935 2.420 3.397 . 0 0 "[ . 1 . 2]" 1 40 1 7 LEU MD1 1 9 LYS H 3.150 . 4.500 3.180 2.233 4.576 0.076 6 0 "[ . 1 . 2]" 1 41 1 32 MET H 1 33 THR H 3.150 . 4.500 3.872 3.821 3.922 . 0 0 "[ . 1 . 2]" 1 42 1 129 GLU HA 1 132 ALA H 2.300 . 2.800 2.596 2.567 2.613 . 0 0 "[ . 1 . 2]" 1 43 1 10 GLU H 1 73 GLU HA 3.150 . 4.500 3.275 3.066 3.458 . 0 0 "[ . 1 . 2]" 1 44 1 10 GLU H 1 73 GLU QB 2.650 . 3.500 3.375 3.021 3.567 0.067 18 0 "[ . 1 . 2]" 1 45 1 72 ILE HG13 1 73 GLU H 3.650 . 5.500 4.903 4.840 4.948 . 0 0 "[ . 1 . 2]" 1 46 1 7 LEU MD1 1 91 TYR H 3.650 . 5.500 4.747 3.835 5.257 . 0 0 "[ . 1 . 2]" 1 47 1 103 LEU H 1 105 ARG H 3.150 . 4.500 3.592 3.467 3.722 . 0 0 "[ . 1 . 2]" 1 48 1 102 ALA MB 1 105 ARG H 3.150 . 4.500 4.040 3.954 4.125 . 0 0 "[ . 1 . 2]" 1 49 1 102 ALA MB 1 105 ARG H 3.150 . 4.500 4.287 4.208 4.371 . 0 0 "[ . 1 . 2]" 1 50 1 13 THR HB 1 26 MET H 3.150 . 4.500 3.113 3.005 3.202 . 0 0 "[ . 1 . 2]" 1 51 1 124 LEU HA 1 127 LYS H 2.650 . 3.500 3.226 3.131 3.305 . 0 0 "[ . 1 . 2]" 1 52 1 5 LYS HB2 1 6 LYS H 2.650 . 3.500 2.927 1.930 3.529 0.029 4 0 "[ . 1 . 2]" 1 53 1 6 LYS HB3 1 7 LEU H 2.650 . 3.500 2.307 1.863 3.041 . 0 0 "[ . 1 . 2]" 1 54 1 92 ILE H 1 92 ILE HG12 2.650 . 3.500 3.481 3.263 3.541 0.041 5 0 "[ . 1 . 2]" 1 55 1 123 GLN QG 1 124 LEU H 3.150 . 4.500 3.268 2.106 4.053 . 0 0 "[ . 1 . 2]" 1 56 1 124 LEU H 1 124 LEU HG 3.150 . 4.500 3.986 3.804 4.111 . 0 0 "[ . 1 . 2]" 1 57 1 69 ALA HA 1 71 LYS H 2.650 . 3.500 2.571 2.210 3.055 . 0 0 "[ . 1 . 2]" 1 58 1 70 LYS HB2 1 71 LYS H 2.300 . 2.800 2.368 2.158 2.575 . 0 0 "[ . 1 . 2]" 1 59 1 70 LYS QD 1 71 LYS H 2.650 . 3.500 3.267 1.779 3.532 0.032 14 0 "[ . 1 . 2]" 1 60 1 70 LYS HG2 1 71 LYS H 3.150 . 4.500 2.839 2.350 3.656 . 0 0 "[ . 1 . 2]" 1 61 1 83 ASP H 1 89 LEU QD 3.150 . 4.500 3.029 2.868 3.211 . 0 0 "[ . 1 . 2]" 1 62 1 142 GLU QG 1 143 ASP H 3.650 . 5.500 4.144 2.730 4.758 . 0 0 "[ . 1 . 2]" 1 63 1 67 GLU H 1 68 ASN QB 3.150 . 4.500 4.501 4.355 4.536 0.036 20 0 "[ . 1 . 2]" 1 64 1 141 SER HA 1 142 GLU H 2.300 . 2.800 2.290 1.781 2.887 0.087 5 0 "[ . 1 . 2]" 1 65 1 142 GLU H 1 142 GLU QG 2.650 . 3.500 2.468 2.036 3.389 . 0 0 "[ . 1 . 2]" 1 66 1 94 ALA H 1 97 LYS H 2.650 . 3.500 3.095 2.904 3.213 . 0 0 "[ . 1 . 2]" 1 67 1 97 LYS H 1 97 LYS QG 2.650 . 3.500 2.908 2.220 3.659 0.159 6 0 "[ . 1 . 2]" 1 68 1 68 ASN QB 1 69 ALA H 2.650 . 3.500 3.200 3.016 3.462 . 0 0 "[ . 1 . 2]" 1 69 1 65 MET HG2 1 69 ALA H 3.650 . 5.500 4.878 4.792 5.042 . 0 0 "[ . 1 . 2]" 1 70 1 81 ARG H 1 81 ARG HB3 2.650 . 3.500 2.502 2.293 2.809 . 0 0 "[ . 1 . 2]" 1 71 1 19 ASP H 1 22 THR HB 3.150 . 4.500 2.976 2.154 3.458 . 0 0 "[ . 1 . 2]" 1 72 1 18 ILE HB 1 19 ASP H 2.650 . 3.500 2.430 2.134 2.744 . 0 0 "[ . 1 . 2]" 1 73 1 119 ASN HB3 1 122 GLU H 3.150 . 4.500 4.159 4.068 4.249 . 0 0 "[ . 1 . 2]" 1 74 1 38 LEU QD 1 122 GLU H 2.650 . 3.500 3.343 2.717 3.641 0.141 18 0 "[ . 1 . 2]" 1 75 1 138 ASN HA 1 140 TRP H 2.650 . 3.500 3.479 3.411 3.532 0.032 9 0 "[ . 1 . 2]" 1 76 1 126 ARG QG 1 130 ALA H 2.650 . 3.500 3.515 3.378 3.569 0.069 3 0 "[ . 1 . 2]" 1 77 1 78 LYS H 1 78 LYS QB 2.300 . 2.800 2.649 2.359 3.083 0.283 9 0 "[ . 1 . 2]" 1 78 1 7 LEU QB 1 8 HIS H 2.300 . 2.800 2.344 1.778 2.860 0.060 16 0 "[ . 1 . 2]" 1 79 1 8 HIS H 1 9 LYS QB 4.150 . 6.500 5.790 5.540 6.086 . 0 0 "[ . 1 . 2]" 1 80 1 137 LEU HA 1 138 ASN H 2.300 . 2.800 2.624 2.375 2.773 . 0 0 "[ . 1 . 2]" 1 81 1 123 GLN QG 1 126 ARG H 3.650 . 5.500 5.257 4.983 5.576 0.076 18 0 "[ . 1 . 2]" 1 82 1 111 VAL HB 1 126 ARG H 2.300 . 2.800 2.495 2.191 2.857 0.057 17 0 "[ . 1 . 2]" 1 83 1 125 LEU HB3 1 126 ARG H 2.300 . 2.800 2.353 2.127 2.613 . 0 0 "[ . 1 . 2]" 1 84 1 124 LEU HA 1 125 LEU H 2.650 . 3.500 2.712 2.694 2.735 . 0 0 "[ . 1 . 2]" 1 85 1 124 LEU MD2 1 128 SER H 3.150 . 4.500 4.350 3.924 4.592 0.092 13 0 "[ . 1 . 2]" 1 86 1 38 LEU QD 1 123 GLN H 4.150 . 6.500 4.920 4.380 5.448 . 0 0 "[ . 1 . 2]" 1 87 1 123 GLN H 1 124 LEU MD1 3.650 . 5.500 5.142 4.947 5.401 . 0 0 "[ . 1 . 2]" 1 88 1 118 ASN HD21 1 119 ASN H 3.650 . 5.500 4.082 1.975 5.005 . 0 0 "[ . 1 . 2]" 1 89 1 77 ASP HB3 1 119 ASN H 3.150 . 4.500 3.597 3.243 3.859 . 0 0 "[ . 1 . 2]" 1 90 1 118 ASN HB2 1 119 ASN H 3.150 . 4.500 3.281 2.771 3.435 . 0 0 "[ . 1 . 2]" 1 91 1 131 GLN HB2 1 133 LYS H 3.150 . 4.500 4.449 4.141 4.579 0.079 20 0 "[ . 1 . 2]" 1 92 1 60 ALA HA 1 64 LYS H 3.150 . 4.500 3.319 3.128 3.508 . 0 0 "[ . 1 . 2]" 1 93 1 63 LYS HG3 1 64 LYS H 3.150 . 4.500 3.685 2.556 4.087 . 0 0 "[ . 1 . 2]" 1 94 1 107 GLY HA2 1 137 LEU H 3.150 . 4.500 3.658 3.352 3.876 . 0 0 "[ . 1 . 2]" 1 95 1 135 GLU QB 1 137 LEU H 2.650 . 3.500 3.336 3.015 3.541 0.041 4 0 "[ . 1 . 2]" 1 96 1 132 ALA HA 1 136 LYS H 2.650 . 3.500 3.211 3.156 3.311 . 0 0 "[ . 1 . 2]" 1 97 1 64 LYS HA 1 65 MET H 2.650 . 3.500 2.895 2.835 2.941 . 0 0 "[ . 1 . 2]" 1 98 1 62 THR HA 1 65 MET H 3.150 . 4.500 3.646 3.511 3.784 . 0 0 "[ . 1 . 2]" 1 99 1 65 MET H 1 65 MET HG3 2.650 . 3.500 2.574 2.348 3.159 . 0 0 "[ . 1 . 2]" 1 100 1 64 LYS HB2 1 65 MET H 2.300 . 2.800 2.439 2.260 2.609 . 0 0 "[ . 1 . 2]" 1 101 1 64 LYS QG 1 65 MET H 3.150 . 4.500 3.979 3.509 4.534 0.034 1 0 "[ . 1 . 2]" 1 102 1 102 ALA MB 1 103 LEU H 2.300 . 2.800 2.490 2.451 2.536 . 0 0 "[ . 1 . 2]" 1 103 1 103 LEU H 1 103 LEU QD 2.300 . 2.800 2.808 2.039 2.914 0.114 15 0 "[ . 1 . 2]" 1 104 1 103 LEU H 1 104 VAL H 2.650 . 3.500 2.746 2.647 2.839 . 0 0 "[ . 1 . 2]" 1 105 1 100 ASN HA 1 104 VAL H 3.150 . 4.500 3.761 3.578 4.002 . 0 0 "[ . 1 . 2]" 1 106 1 103 LEU HB2 1 104 VAL H 2.300 . 2.800 1.946 1.852 2.072 . 0 0 "[ . 1 . 2]" 1 107 1 108 LEU H 1 108 LEU HB3 3.150 . 4.500 3.664 3.540 3.820 . 0 0 "[ . 1 . 2]" 1 108 1 108 LEU H 1 108 LEU HB2 2.650 . 3.500 2.562 2.417 2.741 . 0 0 "[ . 1 . 2]" 1 109 1 103 LEU HB2 1 108 LEU H 3.150 . 4.500 3.727 3.618 3.814 . 0 0 "[ . 1 . 2]" 1 110 1 16 LYS H 1 17 ALA H 3.150 . 4.500 3.187 3.077 3.269 . 0 0 "[ . 1 . 2]" 1 111 1 14 LEU HA 1 16 LYS H 2.650 . 3.500 3.420 3.355 3.454 . 0 0 "[ . 1 . 2]" 1 112 1 15 ILE HB 1 16 LYS H 2.300 . 2.800 2.242 2.120 2.395 . 0 0 "[ . 1 . 2]" 1 113 1 14 LEU MD2 1 16 LYS H 3.150 . 4.500 3.769 2.846 4.047 . 0 0 "[ . 1 . 2]" 1 114 1 68 ASN H 1 68 ASN QB 2.300 . 2.800 2.354 2.309 2.403 . 0 0 "[ . 1 . 2]" 1 115 1 119 ASN HB2 1 121 HIS H 3.650 . 5.500 4.392 4.049 5.031 . 0 0 "[ . 1 . 2]" 1 116 1 38 LEU HG 1 121 HIS H 3.150 . 4.500 4.067 3.605 4.612 0.112 5 0 "[ . 1 . 2]" 1 117 1 38 LEU QD 1 121 HIS H 3.150 . 4.500 3.504 2.815 4.165 . 0 0 "[ . 1 . 2]" 1 118 1 22 THR H 1 23 VAL QG 3.150 . 4.500 3.716 3.329 4.000 . 0 0 "[ . 1 . 2]" 1 119 1 106 GLN H 1 108 LEU HB2 3.650 . 5.500 4.776 4.239 5.273 . 0 0 "[ . 1 . 2]" 1 120 1 77 ASP HA 1 79 GLY H 3.150 . 4.500 3.193 2.610 3.643 . 0 0 "[ . 1 . 2]" 1 121 1 78 LYS QB 1 79 GLY H 3.150 . 4.500 3.723 2.886 3.953 . 0 0 "[ . 1 . 2]" 1 122 1 98 MET HA 1 100 ASN H 3.150 . 4.500 3.231 3.060 3.347 . 0 0 "[ . 1 . 2]" 1 123 1 92 ILE HB 1 100 ASN H 3.150 . 4.500 3.937 3.732 4.286 . 0 0 "[ . 1 . 2]" 1 124 1 99 VAL QG 1 100 ASN H 2.650 . 3.500 3.130 2.940 3.294 . 0 0 "[ . 1 . 2]" 1 125 1 39 VAL MG2 1 100 ASN H 3.150 . 4.500 4.279 4.120 4.551 0.051 8 0 "[ . 1 . 2]" 1 126 1 13 THR H 1 25 LEU HB3 3.150 . 4.500 4.059 3.904 4.211 . 0 0 "[ . 1 . 2]" 1 127 1 107 GLY H 1 108 LEU HB2 3.650 . 5.500 4.423 3.833 4.853 . 0 0 "[ . 1 . 2]" 1 128 1 81 ARG HB3 1 82 THR H 3.150 . 4.500 2.999 2.672 3.218 . 0 0 "[ . 1 . 2]" 1 129 1 38 LEU HB2 1 39 VAL H 2.650 . 3.500 3.096 2.866 3.423 . 0 0 "[ . 1 . 2]" 1 130 1 28 LYS HA 1 29 GLY H 2.300 . 2.800 2.230 2.209 2.253 . 0 0 "[ . 1 . 2]" 1 131 1 27 TYR HB2 1 29 GLY H 3.650 . 5.500 5.425 5.101 5.528 0.028 12 0 "[ . 1 . 2]" 1 132 1 94 ALA H 1 99 VAL H 3.150 . 4.500 3.166 2.931 3.338 . 0 0 "[ . 1 . 2]" 1 133 1 92 ILE H 1 99 VAL H 3.650 . 5.500 4.096 3.868 4.440 . 0 0 "[ . 1 . 2]" 1 134 1 92 ILE HB 1 99 VAL H 3.150 . 4.500 3.962 3.758 4.264 . 0 0 "[ . 1 . 2]" 1 135 1 104 VAL QG 1 140 TRP HE1 3.650 . 5.500 3.900 3.639 4.199 . 0 0 "[ . 1 . 2]" 1 136 1 106 GLN HA 1 138 ASN HD22 3.650 . 5.500 4.036 2.506 4.792 . 0 0 "[ . 1 . 2]" 1 137 1 68 ASN QB 1 68 ASN HD21 2.650 . 3.500 2.203 2.137 2.275 . 0 0 "[ . 1 . 2]" 1 138 1 68 ASN QB 1 68 ASN HD22 2.650 . 3.500 3.270 3.192 3.308 . 0 0 "[ . 1 . 2]" 1 139 1 64 LYS HB2 1 68 ASN HD21 3.150 . 4.500 4.354 4.028 4.576 0.076 11 0 "[ . 1 . 2]" 1 140 1 64 LYS QG 1 68 ASN HD21 3.150 . 4.500 3.664 2.344 4.577 0.077 14 0 "[ . 1 . 2]" 1 141 1 64 LYS QG 1 68 ASN HD22 3.150 . 4.500 3.591 2.337 4.507 0.007 18 0 "[ . 1 . 2]" 1 142 1 116 LYS QB 1 119 ASN HD21 3.150 . 4.500 3.946 2.934 4.574 0.074 6 0 "[ . 1 . 2]" 1 143 1 115 TYR H 1 116 LYS H 3.650 . 5.500 3.862 3.560 4.110 . 0 0 "[ . 1 . 2]" 1 144 1 108 LEU H 1 140 TRP HE1 3.650 . 5.500 4.358 4.093 4.630 . 0 0 "[ . 1 . 2]" 1 145 1 38 LEU HB2 1 112 ALA H 3.150 . 4.500 3.797 3.660 3.898 . 0 0 "[ . 1 . 2]" 1 146 1 38 LEU HB3 1 112 ALA H 3.650 . 5.500 3.926 3.477 4.322 . 0 0 "[ . 1 . 2]" 1 147 1 118 ASN H 1 118 ASN QB 2.650 . 3.500 2.417 2.034 2.500 . 0 0 "[ . 1 . 2]" 1 148 1 117 PRO HG3 1 118 ASN H 3.650 . 5.500 4.643 3.718 4.829 . 0 0 "[ . 1 . 2]" 1 149 1 38 LEU QD 1 118 ASN H 3.650 . 5.500 4.775 4.533 5.145 . 0 0 "[ . 1 . 2]" 1 150 1 16 LYS QD 1 24 LYS H 2.650 . 3.500 2.879 2.804 2.986 . 0 0 "[ . 1 . 2]" 1 151 1 24 LYS QE 1 25 LEU H 3.650 . 5.500 4.989 4.730 5.124 . 0 0 "[ . 1 . 2]" 1 152 1 9 LYS HG3 1 76 PHE H 3.650 . 5.500 4.576 4.240 4.744 . 0 0 "[ . 1 . 2]" 1 153 1 72 ILE MG 1 94 ALA H 3.150 . 4.500 3.875 3.780 4.031 . 0 0 "[ . 1 . 2]" 1 154 1 80 GLN H 1 117 PRO QD 3.150 . 4.500 3.303 2.645 4.617 0.117 13 0 "[ . 1 . 2]" 1 155 1 23 VAL QG 1 35 ARG H 3.650 . 5.500 4.662 4.254 5.374 . 0 0 "[ . 1 . 2]" 1 156 1 9 LYS H 1 9 LYS QE 3.150 . 4.500 3.571 2.396 4.493 . 0 0 "[ . 1 . 2]" 1 157 1 18 ILE H 1 18 ILE MD 2.300 . 2.800 2.654 2.469 2.804 0.004 13 0 "[ . 1 . 2]" 1 158 1 132 ALA H 1 133 LYS HB2 3.150 . 4.500 4.471 4.339 4.528 0.028 18 0 "[ . 1 . 2]" 1 159 1 11 PRO HA 1 73 GLU H 3.150 . 4.500 3.610 3.464 3.705 . 0 0 "[ . 1 . 2]" 1 160 1 72 ILE HB 1 73 GLU H 2.650 . 3.500 3.262 3.161 3.336 . 0 0 "[ . 1 . 2]" 1 161 1 60 ALA H 1 63 LYS QB 3.150 . 4.500 4.485 4.350 4.574 0.074 7 0 "[ . 1 . 2]" 1 162 1 14 LEU HB3 1 26 MET H 4.150 . 6.500 5.525 5.433 5.633 . 0 0 "[ . 1 . 2]" 1 163 1 5 LYS HB3 1 6 LYS H 3.150 . 4.500 2.702 1.795 3.600 0.005 13 0 "[ . 1 . 2]" 1 164 1 131 GLN HA 1 134 LYS H 2.300 . 2.800 2.733 2.704 2.771 . 0 0 "[ . 1 . 2]" 1 165 1 60 ALA HA 1 61 PHE H 2.300 . 2.800 2.700 2.674 2.730 . 0 0 "[ . 1 . 2]" 1 166 1 61 PHE H 1 103 LEU QD 3.650 . 5.500 4.634 4.286 4.931 . 0 0 "[ . 1 . 2]" 1 167 1 83 ASP H 1 83 ASP HB3 3.150 . 4.500 2.081 1.823 2.741 . 0 0 "[ . 1 . 2]" 1 168 1 64 LYS HA 1 67 GLU H 2.650 . 3.500 2.748 2.661 2.797 . 0 0 "[ . 1 . 2]" 1 169 1 66 VAL HB 1 67 GLU H 2.650 . 3.500 3.284 3.190 3.328 . 0 0 "[ . 1 . 2]" 1 170 1 17 ALA MB 1 19 ASP H 3.150 . 4.500 3.538 3.237 3.805 . 0 0 "[ . 1 . 2]" 1 171 1 62 THR H 1 103 LEU QD 3.150 . 4.500 3.070 2.793 3.321 . 0 0 "[ . 1 . 2]" 1 172 1 38 LEU HB2 1 122 GLU H 3.150 . 4.500 4.049 3.587 4.594 0.094 14 0 "[ . 1 . 2]" 1 173 1 124 LEU QB 1 125 LEU H 2.300 . 2.800 2.022 1.933 2.128 . 0 0 "[ . 1 . 2]" 1 174 1 10 GLU HB3 1 74 VAL H 3.650 . 5.500 4.286 4.159 4.483 . 0 0 "[ . 1 . 2]" 1 175 1 73 GLU HB3 1 74 VAL H 3.150 . 4.500 2.922 2.726 3.034 . 0 0 "[ . 1 . 2]" 1 176 1 123 GLN H 1 124 LEU QB 3.150 . 4.500 3.941 3.839 4.071 . 0 0 "[ . 1 . 2]" 1 177 1 129 GLU HA 1 133 LYS H 2.650 . 3.500 3.315 3.289 3.354 . 0 0 "[ . 1 . 2]" 1 178 1 104 VAL QG 1 133 LYS H 3.150 . 4.500 4.463 4.364 4.540 0.040 3 0 "[ . 1 . 2]" 1 179 1 102 ALA H 1 104 VAL H 3.650 . 5.500 3.995 3.883 4.137 . 0 0 "[ . 1 . 2]" 1 180 1 104 VAL H 1 108 LEU HB2 3.650 . 5.500 5.253 4.819 5.527 0.027 19 0 "[ . 1 . 2]" 1 181 1 15 ILE HG13 1 16 LYS H 3.150 . 4.500 3.668 3.101 3.869 . 0 0 "[ . 1 . 2]" 1 182 1 103 LEU QD 1 106 GLN H 3.650 . 5.500 4.907 4.752 5.110 . 0 0 "[ . 1 . 2]" 1 183 1 79 GLY H 1 117 PRO QD 3.650 . 5.500 4.473 4.052 5.342 . 0 0 "[ . 1 . 2]" 1 184 1 32 MET HG3 1 88 GLY H 3.650 . 5.500 4.074 3.768 4.546 . 0 0 "[ . 1 . 2]" 1 185 1 79 GLY H 1 118 ASN HD22 3.650 . 5.500 3.763 2.962 5.053 . 0 0 "[ . 1 . 2]" 1 186 1 79 GLY H 1 118 ASN HD22 3.150 . 4.500 3.611 2.932 4.566 0.066 13 0 "[ . 1 . 2]" 1 187 1 77 ASP HB2 1 118 ASN HD21 3.650 . 5.500 3.302 2.424 5.299 . 0 0 "[ . 1 . 2]" 1 188 1 81 ARG HG2 1 82 THR H 3.150 . 4.500 3.726 3.595 4.002 . 0 0 "[ . 1 . 2]" 1 189 1 71 LYS HB2 1 96 GLY H 3.150 . 4.500 4.120 2.809 4.585 0.085 14 0 "[ . 1 . 2]" 1 190 1 133 LYS HG3 1 140 TRP HE1 3.650 . 5.500 3.362 3.030 4.193 . 0 0 "[ . 1 . 2]" 1 191 1 64 LYS HA 1 68 ASN HD21 3.150 . 4.500 3.005 2.717 3.428 . 0 0 "[ . 1 . 2]" 1 192 1 107 GLY HA3 1 108 LEU H 2.650 . 3.500 2.802 2.787 2.819 . 0 0 "[ . 1 . 2]" 1 193 1 18 ILE MD 1 19 ASP H 2.650 . 3.500 3.248 2.905 3.419 . 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 3 _Distance_constraint_stats_list.Viol_count 18 _Distance_constraint_stats_list.Viol_total 10.887 _Distance_constraint_stats_list.Viol_max 0.072 _Distance_constraint_stats_list.Viol_rms 0.0196 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0091 _Distance_constraint_stats_list.Viol_average_violations_only 0.0302 _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 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 TYR 0.118 0.072 13 0 "[ . 1 . 2]" 1 34 PHE 0.118 0.072 13 0 "[ . 1 . 2]" 1 73 GLU 0.426 0.071 20 0 "[ . 1 . 2]" 1 75 GLU 0.426 0.071 20 0 "[ . 1 . 2]" 1 93 TYR 0.426 0.071 20 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 73 GLU QB 1 93 TYR QD 2.300 . 2.800 2.806 2.661 2.871 0.071 20 0 "[ . 1 . 2]" 2 2 1 27 TYR QE 1 34 PHE HZ 2.650 . 3.500 3.384 3.223 3.572 0.072 13 0 "[ . 1 . 2]" 2 3 1 8 HIS QB 1 8 HIS HD2 2.650 . 3.500 2.940 2.858 3.271 . 0 0 "[ . 1 . 2]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 1362 _Distance_constraint_stats_list.Viol_count 1451 _Distance_constraint_stats_list.Viol_total 950.924 _Distance_constraint_stats_list.Viol_max 0.397 _Distance_constraint_stats_list.Viol_rms 0.0101 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0017 _Distance_constraint_stats_list.Viol_average_violations_only 0.0328 _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 4 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 LYS 0.184 0.142 15 0 "[ . 1 . 2]" 1 6 LYS 0.708 0.155 7 0 "[ . 1 . 2]" 1 7 LEU 1.300 0.155 7 0 "[ . 1 . 2]" 1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 LYS 2.255 0.113 1 0 "[ . 1 . 2]" 1 10 GLU 1.510 0.113 1 0 "[ . 1 . 2]" 1 11 PRO 0.043 0.014 3 0 "[ . 1 . 2]" 1 12 ALA 0.164 0.052 4 0 "[ . 1 . 2]" 1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 LEU 0.454 0.347 11 0 "[ . 1 . 2]" 1 15 ILE 0.347 0.347 11 0 "[ . 1 . 2]" 1 16 LYS 0.707 0.076 3 0 "[ . 1 . 2]" 1 17 ALA 0.432 0.058 12 0 "[ . 1 . 2]" 1 18 ILE 0.063 0.018 13 0 "[ . 1 . 2]" 1 19 ASP 0.070 0.024 8 0 "[ . 1 . 2]" 1 20 GLY 0.747 0.098 15 0 "[ . 1 . 2]" 1 21 ASP 0.012 0.012 3 0 "[ . 1 . 2]" 1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 23 VAL 0.341 0.028 16 0 "[ . 1 . 2]" 1 24 LYS 1.800 0.093 18 0 "[ . 1 . 2]" 1 25 LEU 0.328 0.053 13 0 "[ . 1 . 2]" 1 26 MET 0.211 0.021 2 0 "[ . 1 . 2]" 1 27 TYR 0.516 0.049 4 0 "[ . 1 . 2]" 1 28 LYS 0.297 0.063 12 0 "[ . 1 . 2]" 1 29 GLY 0.279 0.042 10 0 "[ . 1 . 2]" 1 30 GLN 0.412 0.063 12 0 "[ . 1 . 2]" 1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 MET 1.162 0.090 4 0 "[ . 1 . 2]" 1 33 THR 1.003 0.076 15 0 "[ . 1 . 2]" 1 34 PHE 0.834 0.093 18 0 "[ . 1 . 2]" 1 35 ARG 0.531 0.055 13 0 "[ . 1 . 2]" 1 38 LEU 0.215 0.111 19 0 "[ . 1 . 2]" 1 39 VAL 0.043 0.029 18 0 "[ . 1 . 2]" 1 40 ASP 0.043 0.029 18 0 "[ . 1 . 2]" 1 41 THR 0.045 0.030 1 0 "[ . 1 . 2]" 1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 ALA 0.980 0.098 15 0 "[ . 1 . 2]" 1 59 SER 0.022 0.012 3 0 "[ . 1 . 2]" 1 60 ALA 0.142 0.032 7 0 "[ . 1 . 2]" 1 61 PHE 0.017 0.011 8 0 "[ . 1 . 2]" 1 62 THR 0.178 0.057 11 0 "[ . 1 . 2]" 1 63 LYS 1.049 0.077 7 0 "[ . 1 . 2]" 1 64 LYS 0.770 0.077 7 0 "[ . 1 . 2]" 1 65 MET 1.803 0.132 11 0 "[ . 1 . 2]" 1 66 VAL 2.003 0.132 11 0 "[ . 1 . 2]" 1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 68 ASN 0.251 0.065 17 0 "[ . 1 . 2]" 1 69 ALA 1.404 0.070 7 0 "[ . 1 . 2]" 1 70 LYS 2.125 0.099 3 0 "[ . 1 . 2]" 1 71 LYS 0.881 0.076 4 0 "[ . 1 . 2]" 1 72 ILE 0.245 0.076 4 0 "[ . 1 . 2]" 1 73 GLU 0.355 0.053 13 0 "[ . 1 . 2]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 1.908 0.075 12 0 "[ . 1 . 2]" 1 76 PHE 0.599 0.089 9 0 "[ . 1 . 2]" 1 77 ASP 0.945 0.397 9 0 "[ . 1 . 2]" 1 78 LYS 0.569 0.164 17 0 "[ . 1 . 2]" 1 79 GLY 0.946 0.397 9 0 "[ . 1 . 2]" 1 80 GLN 3.013 0.150 13 0 "[ . 1 . 2]" 1 81 ARG 1.084 0.136 14 0 "[ . 1 . 2]" 1 82 THR 0.922 0.091 15 0 "[ . 1 . 2]" 1 83 ASP 1.503 0.124 17 0 "[ . 1 . 2]" 1 85 TYR 0.047 0.047 14 0 "[ . 1 . 2]" 1 86 GLY 0.058 0.019 17 0 "[ . 1 . 2]" 1 87 ARG 0.757 0.119 3 0 "[ . 1 . 2]" 1 88 GLY 0.228 0.090 4 0 "[ . 1 . 2]" 1 89 LEU 1.448 0.092 9 0 "[ . 1 . 2]" 1 90 ALA 0.048 0.031 6 0 "[ . 1 . 2]" 1 91 TYR 1.393 0.115 9 0 "[ . 1 . 2]" 1 92 ILE 0.974 0.069 15 0 "[ . 1 . 2]" 1 93 TYR 0.050 0.023 4 0 "[ . 1 . 2]" 1 94 ALA 1.411 0.086 16 0 "[ . 1 . 2]" 1 95 ASP 0.212 0.030 12 0 "[ . 1 . 2]" 1 96 GLY 0.261 0.033 19 0 "[ . 1 . 2]" 1 97 LYS 0.409 0.075 19 0 "[ . 1 . 2]" 1 98 MET 0.224 0.052 11 0 "[ . 1 . 2]" 1 99 VAL 0.186 0.035 9 0 "[ . 1 . 2]" 1 100 ASN 0.687 0.115 9 0 "[ . 1 . 2]" 1 101 GLU 0.431 0.085 6 0 "[ . 1 . 2]" 1 102 ALA 0.577 0.072 16 0 "[ . 1 . 2]" 1 103 LEU 0.719 0.131 9 0 "[ . 1 . 2]" 1 104 VAL 0.583 0.131 9 0 "[ . 1 . 2]" 1 105 ARG 0.789 0.093 9 0 "[ . 1 . 2]" 1 106 GLN 1.936 0.125 16 0 "[ . 1 . 2]" 1 107 GLY 1.605 0.087 17 0 "[ . 1 . 2]" 1 108 LEU 1.542 0.175 18 0 "[ . 1 . 2]" 1 109 ALA 0.550 0.093 16 0 "[ . 1 . 2]" 1 110 LYS 0.077 0.077 3 0 "[ . 1 . 2]" 1 111 VAL 0.859 0.079 3 0 "[ . 1 . 2]" 1 112 ALA 0.289 0.045 4 0 "[ . 1 . 2]" 1 114 VAL 0.056 0.041 9 0 "[ . 1 . 2]" 1 115 TYR 0.044 0.033 12 0 "[ . 1 . 2]" 1 116 LYS 0.285 0.061 19 0 "[ . 1 . 2]" 1 117 PRO 0.095 0.026 20 0 "[ . 1 . 2]" 1 118 ASN 1.406 0.150 13 0 "[ . 1 . 2]" 1 119 ASN 0.545 0.065 13 0 "[ . 1 . 2]" 1 120 THR 0.689 0.111 19 0 "[ . 1 . 2]" 1 121 HIS 0.283 0.035 17 0 "[ . 1 . 2]" 1 122 GLU 1.075 0.096 16 0 "[ . 1 . 2]" 1 123 GLN 0.789 0.132 7 0 "[ . 1 . 2]" 1 124 LEU 1.048 0.087 17 0 "[ . 1 . 2]" 1 125 LEU 0.866 0.087 17 0 "[ . 1 . 2]" 1 126 ARG 0.966 0.107 9 0 "[ . 1 . 2]" 1 127 LYS 3.290 0.120 17 0 "[ . 1 . 2]" 1 128 SER 2.003 0.120 17 0 "[ . 1 . 2]" 1 129 GLU 1.407 0.089 18 0 "[ . 1 . 2]" 1 130 ALA 1.359 0.089 18 0 "[ . 1 . 2]" 1 131 GLN 0.760 0.093 9 0 "[ . 1 . 2]" 1 132 ALA 0.292 0.052 2 0 "[ . 1 . 2]" 1 133 LYS 0.771 0.043 18 0 "[ . 1 . 2]" 1 134 LYS 0.244 0.076 12 0 "[ . 1 . 2]" 1 135 GLU 0.711 0.076 12 0 "[ . 1 . 2]" 1 136 LYS 0.359 0.085 2 0 "[ . 1 . 2]" 1 137 LEU 2.398 0.125 16 0 "[ . 1 . 2]" 1 138 ASN 0.476 0.077 18 0 "[ . 1 . 2]" 1 139 ILE 1.627 0.175 18 0 "[ . 1 . 2]" 1 140 TRP 1.704 0.143 7 0 "[ . 1 . 2]" 1 141 SER 0.481 0.062 7 0 "[ . 1 . 2]" 1 142 GLU 1.016 0.106 16 0 "[ . 1 . 2]" 1 143 ASP 0.240 0.107 13 0 "[ . 1 . 2]" 1 144 ASN 0.020 0.020 1 0 "[ . 1 . 2]" 1 145 ALA 0.065 0.035 2 0 "[ . 1 . 2]" 1 146 ASP 0.065 0.035 2 0 "[ . 1 . 2]" 1 147 SER 0.052 0.036 16 0 "[ . 1 . 2]" 1 148 GLY 0.052 0.036 16 0 "[ . 1 . 2]" 1 149 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 1 111 VAL H 1 112 ALA H 3.650 . 4.500 4.488 4.313 4.545 0.045 4 0 "[ . 1 . 2]" 3 2 1 39 VAL H 1 112 ALA H 3.650 . 5.500 4.390 4.124 4.765 . 0 0 "[ . 1 . 2]" 3 3 1 38 LEU HA 1 112 ALA H 3.650 . 5.500 3.672 3.206 4.391 . 0 0 "[ . 1 . 2]" 3 4 1 40 ASP HB3 1 112 ALA H 3.650 . 5.500 4.889 4.394 5.320 . 0 0 "[ . 1 . 2]" 3 5 1 112 ALA H 1 114 VAL MG2 3.650 . 5.500 4.156 3.433 4.913 . 0 0 "[ . 1 . 2]" 3 6 1 114 VAL HB 1 115 TYR H 3.650 . 5.500 4.168 3.970 4.418 . 0 0 "[ . 1 . 2]" 3 7 1 38 LEU MD1 1 115 TYR H 3.650 . 5.500 3.295 2.522 3.935 . 0 0 "[ . 1 . 2]" 3 8 1 114 VAL MG1 1 115 TYR H 3.650 . 5.500 2.699 2.339 3.296 . 0 0 "[ . 1 . 2]" 3 9 1 114 VAL MG2 1 115 TYR H 3.650 . 5.500 4.009 3.912 4.142 . 0 0 "[ . 1 . 2]" 3 10 1 27 TYR H 1 28 LYS H 3.650 . 5.500 4.093 3.989 4.258 . 0 0 "[ . 1 . 2]" 3 11 1 27 TYR H 1 29 GLY H 3.650 . 5.500 3.954 3.844 4.116 . 0 0 "[ . 1 . 2]" 3 12 1 17 ALA H 1 63 LYS HA 3.650 . 5.500 5.053 4.687 5.488 . 0 0 "[ . 1 . 2]" 3 13 1 16 LYS QD 1 17 ALA H 3.650 . 5.500 4.638 3.051 5.375 . 0 0 "[ . 1 . 2]" 3 14 1 17 ALA H 1 63 LYS HG2 3.650 . 5.500 5.439 5.032 5.558 0.058 12 0 "[ . 1 . 2]" 3 15 1 72 ILE H 1 95 ASP H 3.650 . 5.500 4.652 4.360 4.780 . 0 0 "[ . 1 . 2]" 3 16 1 72 ILE H 1 73 GLU H 3.650 . 4.500 4.326 4.170 4.479 . 0 0 "[ . 1 . 2]" 3 17 1 12 ALA H 1 72 ILE H 3.650 . 5.500 3.736 3.337 4.189 . 0 0 "[ . 1 . 2]" 3 18 1 72 ILE H 1 94 ALA HA 3.650 . 5.500 5.259 5.002 5.435 . 0 0 "[ . 1 . 2]" 3 19 1 72 ILE H 1 72 ILE MD 3.650 . 5.500 3.923 3.708 4.133 . 0 0 "[ . 1 . 2]" 3 20 1 115 TYR QB 1 118 ASN H 3.650 . 5.500 4.450 3.791 4.876 . 0 0 "[ . 1 . 2]" 3 21 1 117 PRO HB3 1 118 ASN H 3.650 . 5.500 4.647 4.508 4.726 . 0 0 "[ . 1 . 2]" 3 22 1 28 LYS H 1 30 GLN H 3.650 . 5.500 4.170 4.045 4.257 . 0 0 "[ . 1 . 2]" 3 23 1 28 LYS H 1 29 GLY HA3 3.650 . 5.500 5.309 5.233 5.415 . 0 0 "[ . 1 . 2]" 3 24 1 27 TYR HB3 1 28 LYS H 3.650 . 5.500 4.418 4.235 4.506 . 0 0 "[ . 1 . 2]" 3 25 1 28 LYS H 1 28 LYS QD 3.650 . 5.500 4.657 4.445 4.808 . 0 0 "[ . 1 . 2]" 3 26 1 70 LYS H 1 95 ASP H 3.650 . 5.500 4.398 4.147 4.925 . 0 0 "[ . 1 . 2]" 3 27 1 94 ALA H 1 95 ASP H 3.650 . 4.500 4.078 4.011 4.125 . 0 0 "[ . 1 . 2]" 3 28 1 95 ASP H 1 97 LYS H 3.650 . 5.500 4.091 3.964 4.212 . 0 0 "[ . 1 . 2]" 3 29 1 95 ASP H 1 96 GLY HA2 3.650 . 5.500 4.947 4.617 5.505 0.005 19 0 "[ . 1 . 2]" 3 30 1 23 VAL H 1 24 LYS H 3.650 . 5.500 4.379 4.271 4.427 . 0 0 "[ . 1 . 2]" 3 31 1 15 ILE H 1 24 LYS H 3.650 . 5.500 4.388 4.266 4.506 . 0 0 "[ . 1 . 2]" 3 32 1 15 ILE H 1 25 LEU H 3.650 . 5.500 4.538 4.455 4.895 . 0 0 "[ . 1 . 2]" 3 33 1 14 LEU HA 1 25 LEU H 3.650 . 5.500 5.006 4.722 5.186 . 0 0 "[ . 1 . 2]" 3 34 1 25 LEU H 1 25 LEU MD2 3.650 . 5.500 3.968 3.825 4.041 . 0 0 "[ . 1 . 2]" 3 35 1 98 MET H 1 99 VAL H 3.650 . 5.500 4.346 4.099 4.421 . 0 0 "[ . 1 . 2]" 3 36 1 98 MET H 1 101 GLU H 4.150 . 6.500 5.145 4.823 5.413 . 0 0 "[ . 1 . 2]" 3 37 1 93 TYR HA 1 98 MET H 3.650 . 5.500 4.357 4.011 4.675 . 0 0 "[ . 1 . 2]" 3 38 1 98 MET H 1 101 GLU HB3 3.650 . 5.500 4.259 3.810 4.813 . 0 0 "[ . 1 . 2]" 3 39 1 75 GLU H 1 91 TYR HB2 3.650 . 5.500 3.281 3.188 3.535 . 0 0 "[ . 1 . 2]" 3 40 1 75 GLU H 1 75 GLU HG3 3.650 . 5.500 4.610 4.557 4.656 . 0 0 "[ . 1 . 2]" 3 41 1 75 GLU H 1 92 ILE MD 3.650 . 5.500 5.547 5.521 5.569 0.069 15 0 "[ . 1 . 2]" 3 42 1 74 VAL MG2 1 75 GLU H 3.650 . 5.500 4.045 3.890 4.107 . 0 0 "[ . 1 . 2]" 3 43 1 10 GLU H 1 76 PHE H 3.650 . 5.500 4.517 4.165 4.924 . 0 0 "[ . 1 . 2]" 3 44 1 76 PHE H 1 77 ASP H 3.650 . 5.500 4.531 4.371 4.586 . 0 0 "[ . 1 . 2]" 3 45 1 76 PHE H 1 90 ALA MB 3.650 . 5.500 3.652 3.380 3.918 . 0 0 "[ . 1 . 2]" 3 46 1 74 VAL MG1 1 76 PHE H 4.150 . 6.500 6.188 5.974 6.320 . 0 0 "[ . 1 . 2]" 3 47 1 74 VAL MG2 1 76 PHE H 3.650 . 5.500 4.228 3.946 4.435 . 0 0 "[ . 1 . 2]" 3 48 1 93 TYR H 1 99 VAL H 3.650 . 5.500 4.654 4.429 4.900 . 0 0 "[ . 1 . 2]" 3 49 1 93 TYR H 1 94 ALA H 3.650 . 4.500 4.293 4.244 4.345 . 0 0 "[ . 1 . 2]" 3 50 1 92 ILE H 1 93 TYR H 3.650 . 5.500 4.383 4.249 4.462 . 0 0 "[ . 1 . 2]" 3 51 1 93 TYR H 1 98 MET HA 3.650 . 5.500 4.660 4.387 5.229 . 0 0 "[ . 1 . 2]" 3 52 1 92 ILE HG13 1 93 TYR H 3.650 . 5.500 4.879 4.800 4.963 . 0 0 "[ . 1 . 2]" 3 53 1 92 ILE HG12 1 93 TYR H 3.650 . 5.500 4.167 4.081 4.287 . 0 0 "[ . 1 . 2]" 3 54 1 74 VAL MG2 1 93 TYR H 4.150 . 6.500 5.662 5.526 5.748 . 0 0 "[ . 1 . 2]" 3 55 1 22 THR HA 1 34 PHE H 3.650 . 5.500 4.451 4.133 4.915 . 0 0 "[ . 1 . 2]" 3 56 1 33 THR HB 1 34 PHE H 3.650 . 5.500 4.007 3.821 4.110 . 0 0 "[ . 1 . 2]" 3 57 1 24 LYS HB2 1 34 PHE H 3.650 . 5.500 4.754 4.598 4.887 . 0 0 "[ . 1 . 2]" 3 58 1 22 THR MG 1 34 PHE H 3.650 . 5.500 3.705 3.319 4.311 . 0 0 "[ . 1 . 2]" 3 59 1 25 LEU MD2 1 34 PHE H 3.650 . 5.500 5.027 4.684 5.522 0.022 13 0 "[ . 1 . 2]" 3 60 1 66 VAL HA 1 94 ALA H 3.650 . 5.500 5.528 5.438 5.586 0.086 16 0 "[ . 1 . 2]" 3 61 1 69 ALA MB 1 94 ALA H 3.650 . 5.500 4.567 4.437 4.683 . 0 0 "[ . 1 . 2]" 3 62 1 70 LYS H 1 95 ASP HB2 3.650 . 5.500 2.760 1.791 3.776 0.009 19 0 "[ . 1 . 2]" 3 63 1 31 PRO QD 1 32 MET H 3.650 . 5.500 4.905 4.838 4.992 . 0 0 "[ . 1 . 2]" 3 64 1 14 LEU H 1 26 MET H 3.650 . 5.500 4.716 4.636 4.765 . 0 0 "[ . 1 . 2]" 3 65 1 14 LEU H 1 15 ILE H 3.650 . 5.500 4.600 4.487 4.640 . 0 0 "[ . 1 . 2]" 3 66 1 14 LEU H 1 25 LEU HA 3.650 . 5.500 5.196 4.971 5.298 . 0 0 "[ . 1 . 2]" 3 67 1 14 LEU H 1 72 ILE HB 3.650 . 5.500 4.285 3.911 4.504 . 0 0 "[ . 1 . 2]" 3 68 1 14 LEU H 1 25 LEU MD2 3.650 . 5.500 4.817 4.547 5.097 . 0 0 "[ . 1 . 2]" 3 69 1 116 LYS H 1 116 LYS QE 3.650 . 5.500 4.541 3.148 5.261 . 0 0 "[ . 1 . 2]" 3 70 1 115 TYR QB 1 116 LYS H 3.150 . 4.500 3.738 2.746 4.012 . 0 0 "[ . 1 . 2]" 3 71 1 114 VAL MG1 1 116 LYS H 3.650 . 5.500 3.411 2.964 4.360 . 0 0 "[ . 1 . 2]" 3 72 1 15 ILE H 1 26 MET H 3.650 . 4.500 3.786 3.441 4.172 . 0 0 "[ . 1 . 2]" 3 73 1 15 ILE H 1 16 LYS HA 3.650 . 5.500 4.464 4.334 4.571 . 0 0 "[ . 1 . 2]" 3 74 1 88 GLY H 1 89 LEU H 3.650 . 5.500 4.594 4.512 4.671 . 0 0 "[ . 1 . 2]" 3 75 1 89 LEU H 1 90 ALA H 3.650 . 5.500 3.990 3.872 4.194 . 0 0 "[ . 1 . 2]" 3 76 1 34 PHE HA 1 89 LEU H 3.650 . 5.500 5.147 5.007 5.275 . 0 0 "[ . 1 . 2]" 3 77 1 76 PHE HA 1 89 LEU H 3.650 . 5.500 5.455 4.731 5.589 0.089 9 0 "[ . 1 . 2]" 3 78 1 81 ARG HA 1 89 LEU H 3.650 . 5.500 3.854 3.531 4.084 . 0 0 "[ . 1 . 2]" 3 79 1 82 THR MG 1 89 LEU H 3.650 . 5.500 3.513 3.278 3.821 . 0 0 "[ . 1 . 2]" 3 80 1 89 LEU H 1 90 ALA MB 3.650 . 5.500 3.972 3.750 4.223 . 0 0 "[ . 1 . 2]" 3 81 1 89 LEU H 1 89 LEU MD2 3.650 . 5.500 3.641 3.458 3.774 . 0 0 "[ . 1 . 2]" 3 82 1 127 LYS H 1 129 GLU H 3.650 . 5.500 3.955 3.759 4.098 . 0 0 "[ . 1 . 2]" 3 83 1 58 ALA H 1 61 PHE HB3 3.650 . 5.500 5.049 4.678 5.372 . 0 0 "[ . 1 . 2]" 3 84 1 58 ALA H 1 61 PHE HB2 3.650 . 5.500 5.054 4.732 5.435 . 0 0 "[ . 1 . 2]" 3 85 1 58 ALA H 1 108 LEU HB3 3.650 . 5.500 3.610 3.052 3.864 . 0 0 "[ . 1 . 2]" 3 86 1 58 ALA H 1 108 LEU MD1 3.650 . 5.500 4.975 3.982 5.564 0.064 15 0 "[ . 1 . 2]" 3 87 1 58 ALA H 1 108 LEU MD2 3.650 . 5.500 2.886 2.597 3.195 . 0 0 "[ . 1 . 2]" 3 88 1 80 GLN H 1 82 THR H 4.150 . 6.500 5.544 5.296 5.770 . 0 0 "[ . 1 . 2]" 3 89 1 80 GLN H 1 118 ASN HA 3.650 . 5.500 4.896 4.442 5.555 0.055 9 0 "[ . 1 . 2]" 3 90 1 80 GLN H 1 117 PRO HG2 3.650 . 5.500 4.320 3.598 4.765 . 0 0 "[ . 1 . 2]" 3 91 1 148 GLY QA 1 149 GLN H 3.650 . 5.500 2.334 2.011 2.930 . 0 0 "[ . 1 . 2]" 3 92 1 120 THR H 1 122 GLU H 3.650 . 5.500 3.863 3.257 4.298 . 0 0 "[ . 1 . 2]" 3 93 1 119 ASN HB3 1 120 THR H 3.650 . 5.500 4.449 3.402 4.668 . 0 0 "[ . 1 . 2]" 3 94 1 120 THR H 1 121 HIS HB2 4.150 . 6.500 4.946 4.335 5.421 . 0 0 "[ . 1 . 2]" 3 95 1 119 ASN HB2 1 120 THR H 3.650 . 5.500 4.378 3.935 4.579 . 0 0 "[ . 1 . 2]" 3 96 1 38 LEU HG 1 120 THR H 3.650 . 5.500 5.302 4.959 5.611 0.111 19 0 "[ . 1 . 2]" 3 97 1 7 LEU MD2 1 120 THR H 3.650 . 5.500 4.469 3.563 5.529 0.029 3 0 "[ . 1 . 2]" 3 98 1 120 THR H 1 120 THR MG 3.650 . 5.500 3.780 3.691 3.908 . 0 0 "[ . 1 . 2]" 3 99 1 35 ARG H 1 90 ALA H 3.650 . 5.500 4.209 3.572 5.513 0.013 6 0 "[ . 1 . 2]" 3 100 1 22 THR HA 1 35 ARG H 3.650 . 5.500 4.808 4.573 5.000 . 0 0 "[ . 1 . 2]" 3 101 1 35 ARG H 1 89 LEU HA 3.650 . 5.500 3.532 2.924 4.458 . 0 0 "[ . 1 . 2]" 3 102 1 35 ARG H 1 35 ARG QG 3.650 . 5.500 4.088 3.580 4.390 . 0 0 "[ . 1 . 2]" 3 103 1 35 ARG H 1 89 LEU HG 3.650 . 5.500 5.158 4.808 5.445 . 0 0 "[ . 1 . 2]" 3 104 1 35 ARG H 1 89 LEU MD2 3.650 . 5.500 3.354 2.798 3.764 . 0 0 "[ . 1 . 2]" 3 105 1 144 ASN HB2 1 145 ALA H 3.650 . 5.500 3.550 2.182 4.432 . 0 0 "[ . 1 . 2]" 3 106 1 9 LYS H 1 10 GLU H 3.650 . 5.500 4.392 4.300 4.460 . 0 0 "[ . 1 . 2]" 3 107 1 8 HIS H 1 9 LYS H 3.650 . 5.500 4.279 4.113 4.463 . 0 0 "[ . 1 . 2]" 3 108 1 9 LYS H 1 75 GLU HA 3.650 . 5.500 4.185 4.008 4.320 . 0 0 "[ . 1 . 2]" 3 109 1 9 LYS H 1 75 GLU HG2 3.650 . 5.500 5.367 4.749 5.573 0.073 1 0 "[ . 1 . 2]" 3 110 1 5 LYS H 1 5 LYS HB2 3.650 . 5.500 3.014 2.435 3.718 . 0 0 "[ . 1 . 2]" 3 111 1 138 ASN H 1 139 ILE H 3.650 . 5.500 3.463 3.322 3.552 . 0 0 "[ . 1 . 2]" 3 112 1 108 LEU HA 1 139 ILE H 3.650 . 5.500 3.654 3.102 4.446 . 0 0 "[ . 1 . 2]" 3 113 1 4 THR MG 1 5 LYS H 3.650 . 5.500 3.569 2.708 4.356 . 0 0 "[ . 1 . 2]" 3 114 1 108 LEU MD1 1 139 ILE H 3.650 . 5.500 5.171 4.607 5.675 0.175 18 0 "[ . 1 . 2]" 3 115 1 25 LEU H 1 33 THR H 3.650 . 5.500 4.978 4.819 5.166 . 0 0 "[ . 1 . 2]" 3 116 1 24 LYS HA 1 33 THR H 3.650 . 5.500 4.450 4.348 4.577 . 0 0 "[ . 1 . 2]" 3 117 1 24 LYS HB2 1 33 THR H 3.650 . 5.500 5.465 5.123 5.554 0.054 16 0 "[ . 1 . 2]" 3 118 1 24 LYS QG 1 33 THR H 3.650 . 5.500 3.489 3.238 3.672 . 0 0 "[ . 1 . 2]" 3 119 1 33 THR H 1 33 THR MG 3.650 . 5.500 3.728 3.662 3.777 . 0 0 "[ . 1 . 2]" 3 120 1 18 ILE H 1 23 VAL H 3.650 . 5.500 4.419 4.244 4.514 . 0 0 "[ . 1 . 2]" 3 121 1 18 ILE H 1 22 THR H 3.650 . 5.500 4.971 4.596 5.400 . 0 0 "[ . 1 . 2]" 3 122 1 18 ILE H 1 22 THR HB 3.650 . 5.500 4.307 3.715 4.834 . 0 0 "[ . 1 . 2]" 3 123 1 18 ILE H 1 24 LYS HB2 3.650 . 5.500 4.908 4.497 5.361 . 0 0 "[ . 1 . 2]" 3 124 1 18 ILE H 1 22 THR MG 3.650 . 5.500 4.130 3.775 4.584 . 0 0 "[ . 1 . 2]" 3 125 1 129 GLU H 1 132 ALA H 3.650 . 5.500 4.658 4.576 4.764 . 0 0 "[ . 1 . 2]" 3 126 1 132 ALA H 1 140 TRP HD1 3.650 . 5.500 5.289 5.039 5.516 0.016 19 0 "[ . 1 . 2]" 3 127 1 132 ALA H 1 134 LYS H 3.650 . 5.500 4.299 4.142 4.469 . 0 0 "[ . 1 . 2]" 3 128 1 132 ALA H 1 135 GLU H 3.650 . 5.500 4.931 4.755 5.096 . 0 0 "[ . 1 . 2]" 3 129 1 132 ALA H 1 133 LYS HA 3.650 . 5.500 5.242 5.192 5.290 . 0 0 "[ . 1 . 2]" 3 130 1 130 ALA MB 1 132 ALA H 3.650 . 5.500 4.604 4.423 4.686 . 0 0 "[ . 1 . 2]" 3 131 1 104 VAL QG 1 132 ALA H 3.650 . 5.500 4.390 4.096 4.771 . 0 0 "[ . 1 . 2]" 3 132 1 132 ALA H 1 133 LYS HG3 4.150 . 6.500 4.566 4.191 4.669 . 0 0 "[ . 1 . 2]" 3 133 1 132 ALA H 1 133 LYS HG2 4.150 . 6.500 6.078 5.658 6.225 . 0 0 "[ . 1 . 2]" 3 134 1 10 GLU H 1 75 GLU H 3.650 . 5.500 4.701 4.555 4.878 . 0 0 "[ . 1 . 2]" 3 135 1 10 GLU H 1 74 VAL HA 3.650 . 5.500 4.470 4.369 4.550 . 0 0 "[ . 1 . 2]" 3 136 1 10 GLU H 1 11 PRO QD 3.650 . 5.500 4.322 4.239 4.410 . 0 0 "[ . 1 . 2]" 3 137 1 10 GLU H 1 74 VAL HB 3.650 . 5.500 4.850 4.686 5.026 . 0 0 "[ . 1 . 2]" 3 138 1 9 LYS HD3 1 10 GLU H 3.650 . 5.500 5.228 4.559 5.609 0.109 4 0 "[ . 1 . 2]" 3 139 1 10 GLU H 1 74 VAL MG1 3.650 . 5.500 4.677 4.494 4.798 . 0 0 "[ . 1 . 2]" 3 140 1 10 GLU H 1 74 VAL MG2 3.650 . 5.500 2.848 2.613 3.017 . 0 0 "[ . 1 . 2]" 3 141 1 39 VAL HA 1 111 VAL H 3.650 . 5.500 4.844 4.615 5.084 . 0 0 "[ . 1 . 2]" 3 142 1 111 VAL H 1 126 ARG HA 3.650 . 5.500 5.213 4.770 5.511 0.011 5 0 "[ . 1 . 2]" 3 143 1 111 VAL H 1 129 GLU HG3 3.650 . 5.500 3.397 3.167 3.636 . 0 0 "[ . 1 . 2]" 3 144 1 110 LYS QD 1 111 VAL H 3.650 . 5.500 4.779 4.333 5.217 . 0 0 "[ . 1 . 2]" 3 145 1 110 LYS HG3 1 111 VAL H 3.650 . 5.500 4.740 2.596 5.194 . 0 0 "[ . 1 . 2]" 3 146 1 110 LYS HG2 1 111 VAL H 3.650 . 5.500 4.390 2.838 5.082 . 0 0 "[ . 1 . 2]" 3 147 1 110 LYS H 1 111 VAL H 3.650 . 5.500 4.461 4.352 4.544 . 0 0 "[ . 1 . 2]" 3 148 1 73 GLU H 1 95 ASP H 3.650 . 5.500 4.219 3.829 4.596 . 0 0 "[ . 1 . 2]" 3 149 1 73 GLU H 1 94 ALA H 3.650 . 5.500 4.975 4.903 5.110 . 0 0 "[ . 1 . 2]" 3 150 1 12 ALA H 1 73 GLU H 3.650 . 5.500 4.814 4.703 5.022 . 0 0 "[ . 1 . 2]" 3 151 1 12 ALA MB 1 73 GLU H 3.650 . 5.500 4.376 4.120 4.820 . 0 0 "[ . 1 . 2]" 3 152 1 77 ASP H 1 78 LYS H 3.650 . 5.500 4.413 3.933 4.610 . 0 0 "[ . 1 . 2]" 3 153 1 77 ASP H 1 91 TYR H 3.650 . 5.500 4.758 4.462 5.086 . 0 0 "[ . 1 . 2]" 3 154 1 7 LEU MD1 1 77 ASP H 3.650 . 5.500 4.781 3.689 5.589 0.089 20 0 "[ . 1 . 2]" 3 155 1 77 ASP H 1 90 ALA MB 3.650 . 5.500 4.469 4.010 4.751 . 0 0 "[ . 1 . 2]" 3 156 1 59 SER HA 1 60 ALA H 3.650 . 5.500 3.535 3.501 3.568 . 0 0 "[ . 1 . 2]" 3 157 1 91 TYR H 1 92 ILE H 3.650 . 5.500 4.342 4.210 4.454 . 0 0 "[ . 1 . 2]" 3 158 1 75 GLU HA 1 91 TYR H 3.650 . 5.500 4.455 4.297 4.577 . 0 0 "[ . 1 . 2]" 3 159 1 74 VAL HA 1 91 TYR H 3.650 . 5.500 4.549 4.340 4.694 . 0 0 "[ . 1 . 2]" 3 160 1 75 GLU HG3 1 91 TYR H 4.150 . 6.500 5.414 5.163 5.618 . 0 0 "[ . 1 . 2]" 3 161 1 74 VAL HB 1 91 TYR H 3.650 . 5.500 4.775 4.570 4.886 . 0 0 "[ . 1 . 2]" 3 162 1 105 ARG H 1 106 GLN HA 3.650 . 5.500 5.262 5.099 5.371 . 0 0 "[ . 1 . 2]" 3 163 1 103 LEU HA 1 105 ARG H 3.650 . 5.500 4.731 4.593 5.005 . 0 0 "[ . 1 . 2]" 3 164 1 101 GLU HG3 1 105 ARG H 4.150 . 6.500 5.192 4.615 5.978 . 0 0 "[ . 1 . 2]" 3 165 1 104 VAL QG 1 105 ARG H 3.650 . 5.500 3.236 3.131 3.313 . 0 0 "[ . 1 . 2]" 3 166 1 25 LEU H 1 26 MET H 3.650 . 5.500 4.358 4.335 4.382 . 0 0 "[ . 1 . 2]" 3 167 1 26 MET H 1 27 TYR H 3.650 . 5.500 4.204 4.133 4.314 . 0 0 "[ . 1 . 2]" 3 168 1 13 THR HA 1 26 MET H 3.650 . 5.500 4.762 4.644 4.834 . 0 0 "[ . 1 . 2]" 3 169 1 15 ILE HA 1 26 MET H 3.650 . 5.500 5.022 4.788 5.252 . 0 0 "[ . 1 . 2]" 3 170 1 26 MET H 1 26 MET HG2 3.650 . 5.500 4.402 4.323 4.486 . 0 0 "[ . 1 . 2]" 3 171 1 15 ILE MD 1 26 MET H 3.650 . 4.500 3.395 3.193 3.575 . 0 0 "[ . 1 . 2]" 3 172 1 25 LEU MD2 1 26 MET H 3.650 . 5.500 4.305 4.215 4.425 . 0 0 "[ . 1 . 2]" 3 173 1 7 LEU H 1 8 HIS H 3.650 . 5.500 4.432 3.812 4.674 . 0 0 "[ . 1 . 2]" 3 174 1 99 VAL H 1 102 ALA H 3.650 . 5.500 4.787 4.608 5.003 . 0 0 "[ . 1 . 2]" 3 175 1 98 MET H 1 102 ALA H 3.650 . 5.500 5.150 4.753 5.552 0.052 11 0 "[ . 1 . 2]" 3 176 1 102 ALA H 1 105 ARG H 3.650 . 5.500 4.645 4.589 4.765 . 0 0 "[ . 1 . 2]" 3 177 1 102 ALA H 1 104 VAL H 3.650 . 5.500 4.299 4.105 4.530 . 0 0 "[ . 1 . 2]" 3 178 1 102 ALA H 1 103 LEU HA 3.650 . 5.500 5.355 5.207 5.483 . 0 0 "[ . 1 . 2]" 3 179 1 134 LYS H 1 135 GLU HG3 3.650 . 5.500 4.503 4.081 5.576 0.076 12 0 "[ . 1 . 2]" 3 180 1 133 LYS HG3 1 134 LYS H 3.650 . 5.500 4.485 4.177 4.616 . 0 0 "[ . 1 . 2]" 3 181 1 133 LYS HG2 1 134 LYS H 3.650 . 5.500 5.032 4.899 5.141 . 0 0 "[ . 1 . 2]" 3 182 1 92 ILE H 1 92 ILE MD 3.650 . 5.500 3.788 3.635 3.946 . 0 0 "[ . 1 . 2]" 3 183 1 122 GLU HA 1 124 LEU H 3.650 . 5.500 4.375 4.113 4.642 . 0 0 "[ . 1 . 2]" 3 184 1 121 HIS HB2 1 124 LEU H 3.650 . 5.500 5.248 5.020 5.526 0.026 12 0 "[ . 1 . 2]" 3 185 1 59 SER HA 1 61 PHE H 3.650 . 5.500 4.492 4.274 4.724 . 0 0 "[ . 1 . 2]" 3 186 1 61 PHE H 1 62 THR HA 3.650 . 5.500 5.295 5.188 5.374 . 0 0 "[ . 1 . 2]" 3 187 1 61 PHE H 1 62 THR MG 4.150 . 6.500 5.837 5.722 5.916 . 0 0 "[ . 1 . 2]" 3 188 1 61 PHE H 1 108 LEU MD2 3.650 . 5.500 4.098 3.606 4.567 . 0 0 "[ . 1 . 2]" 3 189 1 39 VAL H 1 40 ASP H 3.150 . 4.500 4.368 4.284 4.451 . 0 0 "[ . 1 . 2]" 3 190 1 40 ASP H 1 109 ALA MB 3.650 . 5.500 3.269 2.747 3.867 . 0 0 "[ . 1 . 2]" 3 191 1 39 VAL MG2 1 40 ASP H 3.650 . 5.500 3.579 3.264 3.834 . 0 0 "[ . 1 . 2]" 3 192 1 69 ALA H 1 71 LYS H 4.150 . 6.500 5.993 5.526 6.407 . 0 0 "[ . 1 . 2]" 3 193 1 71 LYS H 1 94 ALA HA 3.650 . 5.500 5.221 4.575 5.537 0.037 4 0 "[ . 1 . 2]" 3 194 1 71 LYS H 1 95 ASP HB2 3.650 . 5.500 3.486 2.079 4.117 . 0 0 "[ . 1 . 2]" 3 195 1 33 THR HB 1 87 ARG H 3.650 . 5.500 5.457 5.036 5.576 0.076 15 0 "[ . 1 . 2]" 3 196 1 35 ARG H 1 83 ASP H 3.650 . 5.500 5.502 5.345 5.555 0.055 13 0 "[ . 1 . 2]" 3 197 1 82 THR MG 1 83 ASP H 3.650 . 5.500 3.545 3.359 3.744 . 0 0 "[ . 1 . 2]" 3 198 1 64 LYS H 1 67 GLU H 3.650 . 5.500 4.783 4.585 4.945 . 0 0 "[ . 1 . 2]" 3 199 1 65 MET H 1 67 GLU H 3.650 . 4.500 4.112 3.869 4.291 . 0 0 "[ . 1 . 2]" 3 200 1 67 GLU H 1 69 ALA MB 3.650 . 5.500 4.460 4.253 4.722 . 0 0 "[ . 1 . 2]" 3 201 1 14 LEU MD2 1 67 GLU H 3.650 . 5.500 3.748 3.485 5.389 . 0 0 "[ . 1 . 2]" 3 202 1 95 ASP HB3 1 97 LYS H 3.650 . 5.500 3.861 3.256 5.467 . 0 0 "[ . 1 . 2]" 3 203 1 95 ASP HB2 1 97 LYS H 3.650 . 5.500 4.752 4.324 5.465 . 0 0 "[ . 1 . 2]" 3 204 1 93 TYR HB2 1 97 LYS H 3.650 . 5.500 5.200 4.574 5.506 0.006 8 0 "[ . 1 . 2]" 3 205 1 94 ALA MB 1 97 LYS H 3.650 . 5.500 3.769 3.652 3.899 . 0 0 "[ . 1 . 2]" 3 206 1 69 ALA H 1 95 ASP H 4.150 . 6.500 5.780 5.483 5.983 . 0 0 "[ . 1 . 2]" 3 207 1 66 VAL H 1 69 ALA H 3.650 . 5.500 4.741 4.609 4.880 . 0 0 "[ . 1 . 2]" 3 208 1 69 ALA H 1 94 ALA HA 3.650 . 5.500 5.458 5.070 5.542 0.042 3 0 "[ . 1 . 2]" 3 209 1 67 GLU HB3 1 69 ALA H 4.150 . 6.500 5.233 5.123 5.410 . 0 0 "[ . 1 . 2]" 3 210 1 67 GLU HB2 1 69 ALA H 4.150 . 6.500 4.838 4.664 5.031 . 0 0 "[ . 1 . 2]" 3 211 1 65 MET QB 1 69 ALA H 3.650 . 5.500 5.246 5.002 5.397 . 0 0 "[ . 1 . 2]" 3 212 1 80 GLN H 1 81 ARG H 3.650 . 5.500 4.431 4.240 4.507 . 0 0 "[ . 1 . 2]" 3 213 1 81 ARG H 1 82 THR MG 3.650 . 5.500 4.451 4.128 4.690 . 0 0 "[ . 1 . 2]" 3 214 1 19 ASP H 1 22 THR HA 3.650 . 5.500 4.758 4.426 4.994 . 0 0 "[ . 1 . 2]" 3 215 1 19 ASP H 1 19 ASP HB3 3.650 . 5.500 3.176 2.798 3.758 . 0 0 "[ . 1 . 2]" 3 216 1 19 ASP H 1 22 THR MG 3.650 . 5.500 4.039 3.494 4.478 . 0 0 "[ . 1 . 2]" 3 217 1 19 ASP H 1 62 THR MG 3.650 . 5.500 5.118 4.371 5.427 . 0 0 "[ . 1 . 2]" 3 218 1 60 ALA MB 1 62 THR H 3.650 . 5.500 4.769 4.604 4.878 . 0 0 "[ . 1 . 2]" 3 219 1 62 THR H 1 108 LEU MD2 3.650 . 5.500 4.927 4.246 5.557 0.057 11 0 "[ . 1 . 2]" 3 220 1 122 GLU H 1 124 LEU H 3.650 . 5.500 4.151 3.940 4.367 . 0 0 "[ . 1 . 2]" 3 221 1 122 GLU H 1 123 GLN HG2 3.650 . 5.500 4.812 3.589 5.586 0.086 9 0 "[ . 1 . 2]" 3 222 1 122 GLU H 1 125 LEU MD1 3.650 . 5.500 4.618 4.130 5.155 . 0 0 "[ . 1 . 2]" 3 223 1 90 ALA H 1 91 TYR H 3.650 . 4.500 4.276 4.222 4.337 . 0 0 "[ . 1 . 2]" 3 224 1 89 LEU HB3 1 90 ALA H 3.650 . 5.500 3.865 3.605 4.006 . 0 0 "[ . 1 . 2]" 3 225 1 74 VAL HB 1 90 ALA H 3.650 . 5.500 5.143 4.881 5.432 . 0 0 "[ . 1 . 2]" 3 226 1 89 LEU MD2 1 90 ALA H 3.650 . 5.500 3.954 3.681 4.157 . 0 0 "[ . 1 . 2]" 3 227 1 63 LYS H 1 63 LYS HD3 3.650 . 5.500 4.760 4.586 5.044 . 0 0 "[ . 1 . 2]" 3 228 1 107 GLY HA2 1 140 TRP H 3.650 . 5.500 5.063 4.560 5.449 . 0 0 "[ . 1 . 2]" 3 229 1 139 ILE MG 1 140 TRP H 3.650 . 5.500 3.927 2.465 4.291 . 0 0 "[ . 1 . 2]" 3 230 1 12 ALA H 1 74 VAL H 3.650 . 5.500 4.432 4.193 4.581 . 0 0 "[ . 1 . 2]" 3 231 1 12 ALA H 1 72 ILE MG 3.650 . 5.500 3.851 3.681 4.060 . 0 0 "[ . 1 . 2]" 3 232 1 12 ALA H 1 74 VAL MG1 3.650 . 5.500 4.375 4.219 4.512 . 0 0 "[ . 1 . 2]" 3 233 1 12 ALA H 1 74 VAL MG2 3.650 . 5.500 4.623 4.376 4.962 . 0 0 "[ . 1 . 2]" 3 234 1 104 VAL QG 1 130 ALA H 3.650 . 5.500 4.333 4.240 4.419 . 0 0 "[ . 1 . 2]" 3 235 1 27 TYR HB2 1 30 GLN H 3.650 . 5.500 5.400 5.150 5.519 0.019 7 0 "[ . 1 . 2]" 3 236 1 26 MET HG3 1 30 GLN H 3.650 . 5.500 3.871 3.466 4.341 . 0 0 "[ . 1 . 2]" 3 237 1 28 LYS HB3 1 30 GLN H 3.650 . 5.500 4.744 4.510 5.079 . 0 0 "[ . 1 . 2]" 3 238 1 28 LYS HG3 1 30 GLN H 3.650 . 5.500 5.438 5.288 5.563 0.063 12 0 "[ . 1 . 2]" 3 239 1 143 ASP HB2 1 144 ASN H 3.650 . 5.500 4.111 3.377 4.539 . 0 0 "[ . 1 . 2]" 3 240 1 145 ALA MB 1 146 ASP H 3.650 . 5.500 2.960 1.860 3.670 . 0 0 "[ . 1 . 2]" 3 241 1 78 LYS H 1 119 ASN H 3.650 . 5.500 4.320 3.453 4.903 . 0 0 "[ . 1 . 2]" 3 242 1 78 LYS H 1 79 GLY HA2 3.650 . 5.500 4.938 4.592 5.277 . 0 0 "[ . 1 . 2]" 3 243 1 78 LYS H 1 78 LYS HE3 3.650 . 5.500 4.296 2.582 5.664 0.164 17 0 "[ . 1 . 2]" 3 244 1 7 LEU MD1 1 78 LYS H 3.650 . 5.500 4.053 2.777 5.530 0.030 4 0 "[ . 1 . 2]" 3 245 1 7 LEU MD2 1 78 LYS H 3.650 . 5.500 3.776 2.507 5.580 0.080 9 0 "[ . 1 . 2]" 3 246 1 8 HIS H 1 76 PHE H 3.650 . 5.500 3.147 2.734 3.640 . 0 0 "[ . 1 . 2]" 3 247 1 8 HIS H 1 75 GLU HG3 3.650 . 5.500 2.763 1.975 3.469 . 0 0 "[ . 1 . 2]" 3 248 1 8 HIS H 1 75 GLU HG2 3.650 . 5.500 3.077 2.791 3.642 . 0 0 "[ . 1 . 2]" 3 249 1 7 LEU MD1 1 8 HIS H 3.650 . 5.500 4.020 2.803 4.641 . 0 0 "[ . 1 . 2]" 3 250 1 7 LEU MD2 1 8 HIS H 3.650 . 5.500 4.207 3.509 4.856 . 0 0 "[ . 1 . 2]" 3 251 1 126 ARG H 1 128 SER H 3.650 . 5.500 4.115 3.949 4.304 . 0 0 "[ . 1 . 2]" 3 252 1 138 ASN H 1 140 TRP H 3.650 . 5.500 4.264 4.089 4.458 . 0 0 "[ . 1 . 2]" 3 253 1 137 LEU H 1 138 ASN H 3.650 . 5.500 4.544 4.451 4.632 . 0 0 "[ . 1 . 2]" 3 254 1 126 ARG H 1 126 ARG HD2 3.650 . 5.500 4.073 3.561 4.550 . 0 0 "[ . 1 . 2]" 3 255 1 126 ARG H 1 126 ARG HD3 3.650 . 5.500 4.763 4.407 4.881 . 0 0 "[ . 1 . 2]" 3 256 1 111 VAL QG 1 126 ARG H 3.650 . 5.500 3.248 2.914 3.785 . 0 0 "[ . 1 . 2]" 3 257 1 137 LEU MD1 1 138 ASN H 3.650 . 5.500 3.649 2.708 4.315 . 0 0 "[ . 1 . 2]" 3 258 1 125 LEU MD2 1 126 ARG H 3.650 . 5.500 4.660 4.450 4.775 . 0 0 "[ . 1 . 2]" 3 259 1 137 LEU MD2 1 138 ASN H 3.650 . 5.500 3.682 2.969 4.376 . 0 0 "[ . 1 . 2]" 3 260 1 122 GLU H 1 125 LEU H 3.650 . 5.500 4.909 4.698 5.194 . 0 0 "[ . 1 . 2]" 3 261 1 121 HIS HA 1 125 LEU H 3.650 . 5.500 4.565 4.225 4.966 . 0 0 "[ . 1 . 2]" 3 262 1 122 GLU HA 1 125 LEU H 3.650 . 5.500 3.693 3.438 4.047 . 0 0 "[ . 1 . 2]" 3 263 1 121 HIS HB3 1 125 LEU H 3.650 . 5.500 4.014 3.572 4.460 . 0 0 "[ . 1 . 2]" 3 264 1 125 LEU H 1 125 LEU MD2 3.650 . 5.500 3.308 3.071 3.484 . 0 0 "[ . 1 . 2]" 3 265 1 129 GLU H 1 131 GLN H 3.650 . 4.500 3.937 3.814 4.140 . 0 0 "[ . 1 . 2]" 3 266 1 131 GLN H 1 132 ALA MB 3.650 . 5.500 4.288 4.177 4.457 . 0 0 "[ . 1 . 2]" 3 267 1 104 VAL QG 1 131 GLN H 3.650 . 5.500 5.010 4.799 5.241 . 0 0 "[ . 1 . 2]" 3 268 1 128 SER H 1 131 GLN H 3.650 . 5.500 4.688 4.528 4.783 . 0 0 "[ . 1 . 2]" 3 269 1 104 VAL QG 1 128 SER H 3.650 . 5.500 3.973 3.847 4.148 . 0 0 "[ . 1 . 2]" 3 270 1 22 THR H 1 23 VAL H 3.650 . 5.500 4.305 3.980 4.460 . 0 0 "[ . 1 . 2]" 3 271 1 23 VAL H 1 35 ARG HA 3.650 . 5.500 3.921 3.332 4.525 . 0 0 "[ . 1 . 2]" 3 272 1 23 VAL H 1 34 PHE HA 3.650 . 5.500 4.836 4.687 4.985 . 0 0 "[ . 1 . 2]" 3 273 1 23 VAL H 1 34 PHE HB3 3.650 . 5.500 4.392 4.127 4.619 . 0 0 "[ . 1 . 2]" 3 274 1 22 THR MG 1 23 VAL H 3.650 . 5.500 2.776 2.474 2.919 . 0 0 "[ . 1 . 2]" 3 275 1 23 VAL H 1 33 THR MG 3.650 . 5.500 3.525 3.222 3.726 . 0 0 "[ . 1 . 2]" 3 276 1 23 VAL H 1 92 ILE MD 3.650 . 5.500 4.309 3.741 4.764 . 0 0 "[ . 1 . 2]" 3 277 1 74 VAL H 1 75 GLU H 3.650 . 4.500 4.301 4.234 4.386 . 0 0 "[ . 1 . 2]" 3 278 1 73 GLU H 1 74 VAL H 3.650 . 5.500 4.328 4.274 4.379 . 0 0 "[ . 1 . 2]" 3 279 1 73 GLU HG3 1 74 VAL H 3.650 . 5.500 5.088 5.005 5.196 . 0 0 "[ . 1 . 2]" 3 280 1 10 GLU HB2 1 74 VAL H 3.650 . 5.500 3.566 3.395 3.884 . 0 0 "[ . 1 . 2]" 3 281 1 9 LYS HB3 1 74 VAL H 3.650 . 5.500 4.025 3.445 4.443 . 0 0 "[ . 1 . 2]" 3 282 1 12 ALA MB 1 74 VAL H 3.650 . 5.500 3.579 3.255 3.844 . 0 0 "[ . 1 . 2]" 3 283 1 9 LYS HG2 1 74 VAL H 3.650 . 5.500 4.712 3.921 5.173 . 0 0 "[ . 1 . 2]" 3 284 1 72 ILE MG 1 74 VAL H 3.650 . 5.500 4.438 4.264 4.604 . 0 0 "[ . 1 . 2]" 3 285 1 74 VAL H 1 74 VAL MG2 3.650 . 4.500 2.141 1.997 2.202 . 0 0 "[ . 1 . 2]" 3 286 1 121 HIS HA 1 123 GLN H 3.650 . 5.500 3.736 3.391 4.055 . 0 0 "[ . 1 . 2]" 3 287 1 122 GLU HA 1 123 GLN H 3.650 . 5.500 3.524 3.439 3.591 . 0 0 "[ . 1 . 2]" 3 288 1 117 PRO HA 1 119 ASN H 3.650 . 5.500 4.388 3.843 4.831 . 0 0 "[ . 1 . 2]" 3 289 1 77 ASP HB2 1 119 ASN H 3.650 . 5.500 4.711 3.995 5.565 0.065 13 0 "[ . 1 . 2]" 3 290 1 38 LEU MD1 1 119 ASN H 3.650 . 5.500 4.413 4.207 4.743 . 0 0 "[ . 1 . 2]" 3 291 1 38 LEU MD2 1 119 ASN H 3.650 . 5.500 4.345 3.826 5.042 . 0 0 "[ . 1 . 2]" 3 292 1 109 ALA H 1 110 LYS H 3.650 . 5.500 4.347 4.237 4.434 . 0 0 "[ . 1 . 2]" 3 293 1 109 ALA MB 1 110 LYS H 3.150 . 4.500 2.584 2.200 2.749 . 0 0 "[ . 1 . 2]" 3 294 1 110 LYS H 1 139 ILE MD 3.650 . 5.500 3.738 3.124 4.503 . 0 0 "[ . 1 . 2]" 3 295 1 133 LYS H 1 140 TRP HB2 3.650 . 5.500 5.149 4.650 5.473 . 0 0 "[ . 1 . 2]" 3 296 1 133 LYS H 1 140 TRP HB3 3.650 . 5.500 5.081 4.670 5.408 . 0 0 "[ . 1 . 2]" 3 297 1 130 ALA MB 1 133 LYS H 3.650 . 5.500 4.599 4.493 4.694 . 0 0 "[ . 1 . 2]" 3 298 1 62 THR H 1 64 LYS H 3.650 . 5.500 4.384 4.103 4.558 . 0 0 "[ . 1 . 2]" 3 299 1 133 LYS H 1 137 LEU H 3.650 . 5.500 5.183 4.992 5.442 . 0 0 "[ . 1 . 2]" 3 300 1 137 LEU H 1 137 LEU MD1 3.650 . 5.500 3.713 3.397 3.923 . 0 0 "[ . 1 . 2]" 3 301 1 133 LYS H 1 136 LYS H 3.650 . 5.500 4.837 4.645 5.084 . 0 0 "[ . 1 . 2]" 3 302 1 136 LYS H 1 137 LEU HA 3.650 . 5.500 5.144 5.035 5.227 . 0 0 "[ . 1 . 2]" 3 303 1 136 LYS H 1 140 TRP HB3 3.650 . 5.500 4.251 4.096 4.552 . 0 0 "[ . 1 . 2]" 3 304 1 135 GLU HG2 1 136 LYS H 3.650 . 5.500 4.950 4.294 5.106 . 0 0 "[ . 1 . 2]" 3 305 1 136 LYS H 1 137 LEU MD1 4.150 . 6.500 5.254 4.653 5.766 . 0 0 "[ . 1 . 2]" 3 306 1 147 SER H 1 147 SER HB3 3.650 . 5.500 3.489 2.627 4.111 . 0 0 "[ . 1 . 2]" 3 307 1 146 ASP HB2 1 147 SER H 3.650 . 5.500 3.696 2.139 4.579 . 0 0 "[ . 1 . 2]" 3 308 1 61 PHE QD 1 65 MET H 3.650 . 5.500 5.140 4.664 5.511 0.011 8 0 "[ . 1 . 2]" 3 309 1 135 GLU H 1 140 TRP HB2 3.650 . 5.500 5.503 5.324 5.564 0.064 5 0 "[ . 1 . 2]" 3 310 1 65 MET H 1 99 VAL MG1 4.150 . 6.500 5.010 4.170 5.632 . 0 0 "[ . 1 . 2]" 3 311 1 65 MET H 1 66 VAL MG2 3.650 . 5.500 3.986 3.853 4.129 . 0 0 "[ . 1 . 2]" 3 312 1 100 ASN H 1 103 LEU H 3.650 . 5.500 4.776 4.647 4.992 . 0 0 "[ . 1 . 2]" 3 313 1 103 LEU H 1 105 ARG H 3.650 . 5.500 4.205 4.065 4.407 . 0 0 "[ . 1 . 2]" 3 314 1 138 ASN H 1 141 SER H 3.650 . 5.500 4.974 4.770 5.252 . 0 0 "[ . 1 . 2]" 3 315 1 137 LEU H 1 141 SER H 3.650 . 5.500 4.801 4.416 5.073 . 0 0 "[ . 1 . 2]" 3 316 1 101 GLU H 1 103 LEU H 3.650 . 5.500 4.128 3.995 4.260 . 0 0 "[ . 1 . 2]" 3 317 1 139 ILE MG 1 141 SER H 3.650 . 5.500 5.080 4.313 5.407 . 0 0 "[ . 1 . 2]" 3 318 1 104 VAL H 1 106 GLN H 3.650 . 5.500 4.070 3.948 4.185 . 0 0 "[ . 1 . 2]" 3 319 1 101 GLU H 1 104 VAL H 3.650 . 5.500 4.896 4.753 5.144 . 0 0 "[ . 1 . 2]" 3 320 1 101 GLU HB3 1 104 VAL H 4.150 . 6.500 5.620 5.417 5.793 . 0 0 "[ . 1 . 2]" 3 321 1 108 LEU H 1 109 ALA HA 3.650 . 5.500 4.623 4.520 4.810 . 0 0 "[ . 1 . 2]" 3 322 1 103 LEU HA 1 108 LEU H 3.650 . 5.500 3.775 3.589 4.047 . 0 0 "[ . 1 . 2]" 3 323 1 108 LEU H 1 132 ALA MB 3.650 . 5.500 4.385 4.101 4.574 . 0 0 "[ . 1 . 2]" 3 324 1 108 LEU H 1 108 LEU MD1 3.650 . 5.500 2.983 2.318 3.769 . 0 0 "[ . 1 . 2]" 3 325 1 108 LEU H 1 108 LEU MD2 3.650 . 5.500 4.296 4.035 4.514 . 0 0 "[ . 1 . 2]" 3 326 1 16 LYS H 1 24 LYS HA 3.650 . 5.500 4.839 4.717 4.946 . 0 0 "[ . 1 . 2]" 3 327 1 16 LYS H 1 23 VAL HA 3.650 . 5.500 5.433 5.077 5.518 0.018 14 0 "[ . 1 . 2]" 3 328 1 68 ASN H 1 69 ALA HA 3.650 . 5.500 4.861 4.740 4.957 . 0 0 "[ . 1 . 2]" 3 329 1 66 VAL HA 1 68 ASN H 3.650 . 5.500 4.100 3.909 4.263 . 0 0 "[ . 1 . 2]" 3 330 1 66 VAL MG1 1 68 ASN H 3.650 . 5.500 5.398 5.290 5.515 0.015 16 0 "[ . 1 . 2]" 3 331 1 66 VAL MG2 1 68 ASN H 3.650 . 5.500 4.450 4.289 4.628 . 0 0 "[ . 1 . 2]" 3 332 1 121 HIS H 1 122 GLU H . . 3.500 2.413 2.260 2.717 . 0 0 "[ . 1 . 2]" 3 333 1 119 ASN HA 1 121 HIS H 3.650 . 5.500 3.510 3.161 3.910 . 0 0 "[ . 1 . 2]" 3 334 1 121 HIS H 1 125 LEU MD1 3.650 . 5.500 4.921 4.561 5.274 . 0 0 "[ . 1 . 2]" 3 335 1 22 THR H 1 22 THR MG 3.650 . 5.500 3.859 3.753 3.989 . 0 0 "[ . 1 . 2]" 3 336 1 108 LEU MD1 1 109 ALA H 3.650 . 5.500 4.321 3.762 4.971 . 0 0 "[ . 1 . 2]" 3 337 1 108 LEU MD2 1 109 ALA H 3.650 . 5.500 5.116 4.822 5.469 . 0 0 "[ . 1 . 2]" 3 338 1 109 ALA H 1 139 ILE MD 3.650 . 5.500 3.298 2.732 4.896 . 0 0 "[ . 1 . 2]" 3 339 1 99 VAL H 1 101 GLU H 3.650 . 5.500 4.194 3.946 4.499 . 0 0 "[ . 1 . 2]" 3 340 1 101 GLU H 1 102 ALA MB 3.650 . 5.500 4.218 4.094 4.390 . 0 0 "[ . 1 . 2]" 3 341 1 58 ALA H 1 59 SER H 3.650 . 4.500 2.756 2.484 3.067 . 0 0 "[ . 1 . 2]" 3 342 1 19 ASP HA 1 59 SER H 3.650 . 5.500 4.772 4.183 5.378 . 0 0 "[ . 1 . 2]" 3 343 1 58 ALA HA 1 59 SER H 3.650 . 5.500 3.551 3.500 3.622 . 0 0 "[ . 1 . 2]" 3 344 1 20 GLY HA2 1 59 SER H 3.650 . 5.500 3.669 3.034 4.295 . 0 0 "[ . 1 . 2]" 3 345 1 58 ALA MB 1 59 SER H 3.650 . 5.500 2.506 2.338 2.754 . 0 0 "[ . 1 . 2]" 3 346 1 59 SER H 1 60 ALA MB 3.650 . 5.500 4.439 4.295 4.604 . 0 0 "[ . 1 . 2]" 3 347 1 104 VAL HA 1 106 GLN H 3.650 . 5.500 4.250 4.004 4.426 . 0 0 "[ . 1 . 2]" 3 348 1 103 LEU HA 1 106 GLN H 3.650 . 5.500 3.914 3.721 4.294 . 0 0 "[ . 1 . 2]" 3 349 1 106 GLN H 1 108 LEU MD2 4.150 . 6.500 6.087 5.716 6.396 . 0 0 "[ . 1 . 2]" 3 350 1 20 GLY H 1 21 ASP H 3.650 . 5.500 2.746 2.059 4.337 . 0 0 "[ . 1 . 2]" 3 351 1 19 ASP H 1 21 ASP H 3.650 . 5.500 4.831 4.216 5.263 . 0 0 "[ . 1 . 2]" 3 352 1 20 GLY HA3 1 21 ASP H 3.650 . 5.500 2.608 2.110 2.943 . 0 0 "[ . 1 . 2]" 3 353 1 147 SER HA 1 148 GLY H 3.650 . 5.500 2.770 2.113 3.593 . 0 0 "[ . 1 . 2]" 3 354 1 77 ASP H 1 79 GLY H 3.650 . 5.500 4.531 4.203 4.910 . 0 0 "[ . 1 . 2]" 3 355 1 78 LYS QD 1 79 GLY H 3.650 . 5.500 4.574 2.410 5.316 . 0 0 "[ . 1 . 2]" 3 356 1 94 ALA H 1 100 ASN H 4.150 . 6.500 5.839 5.519 6.145 . 0 0 "[ . 1 . 2]" 3 357 1 93 TYR HA 1 100 ASN H 3.650 . 5.500 4.927 4.425 5.353 . 0 0 "[ . 1 . 2]" 3 358 1 91 TYR HB3 1 100 ASN H 3.650 . 5.500 5.010 4.539 5.433 . 0 0 "[ . 1 . 2]" 3 359 1 33 THR H 1 88 GLY H 3.650 . 5.500 4.419 4.209 4.779 . 0 0 "[ . 1 . 2]" 3 360 1 83 ASP H 1 88 GLY H 3.650 . 5.500 4.686 4.294 4.841 . 0 0 "[ . 1 . 2]" 3 361 1 76 PHE QE 1 88 GLY H 3.650 . 5.500 5.340 4.843 5.549 0.049 16 0 "[ . 1 . 2]" 3 362 1 82 THR HA 1 88 GLY H 3.650 . 5.500 4.650 4.228 4.940 . 0 0 "[ . 1 . 2]" 3 363 1 33 THR HB 1 88 GLY H 3.650 . 5.500 4.315 3.967 4.579 . 0 0 "[ . 1 . 2]" 3 364 1 82 THR MG 1 88 GLY H 3.650 . 5.500 3.763 3.223 4.350 . 0 0 "[ . 1 . 2]" 3 365 1 13 THR H 1 25 LEU HA 3.650 . 5.500 4.939 4.747 5.100 . 0 0 "[ . 1 . 2]" 3 366 1 13 THR H 1 25 LEU MD1 3.650 . 5.500 3.176 2.825 3.529 . 0 0 "[ . 1 . 2]" 3 367 1 13 THR H 1 25 LEU MD2 3.650 . 5.500 3.853 3.639 4.092 . 0 0 "[ . 1 . 2]" 3 368 1 83 ASP HB3 1 86 GLY H 3.650 . 5.500 3.578 3.093 4.436 . 0 0 "[ . 1 . 2]" 3 369 1 82 THR MG 1 86 GLY H 3.650 . 5.500 5.062 4.769 5.315 . 0 0 "[ . 1 . 2]" 3 370 1 64 LYS H 1 66 VAL H 3.650 . 5.500 4.301 4.130 4.540 . 0 0 "[ . 1 . 2]" 3 371 1 63 LYS H 1 66 VAL H 3.650 . 5.500 4.920 4.782 5.043 . 0 0 "[ . 1 . 2]" 3 372 1 66 VAL H 1 68 ASN H 3.650 . 4.500 4.030 3.859 4.251 . 0 0 "[ . 1 . 2]" 3 373 1 66 VAL H 1 69 ALA MB 3.650 . 5.500 4.436 4.239 4.592 . 0 0 "[ . 1 . 2]" 3 374 1 17 ALA MB 1 66 VAL H 4.150 . 6.500 5.753 5.066 6.264 . 0 0 "[ . 1 . 2]" 3 375 1 14 LEU MD2 1 66 VAL H 3.650 . 5.500 4.638 4.389 5.592 0.092 11 0 "[ . 1 . 2]" 3 376 1 105 ARG H 1 107 GLY H 3.650 . 5.500 3.902 3.715 4.061 . 0 0 "[ . 1 . 2]" 3 377 1 107 GLY H 1 137 LEU MD2 3.650 . 5.500 5.291 4.509 5.587 0.087 17 0 "[ . 1 . 2]" 3 378 1 107 GLY H 1 108 LEU MD1 3.650 . 5.500 3.983 3.208 4.702 . 0 0 "[ . 1 . 2]" 3 379 1 107 GLY H 1 108 LEU MD2 4.150 . 6.500 5.843 5.329 6.136 . 0 0 "[ . 1 . 2]" 3 380 1 82 THR H 1 82 THR MG 3.650 . 5.500 3.191 3.086 3.311 . 0 0 "[ . 1 . 2]" 3 381 1 82 THR H 1 89 LEU MD2 3.650 . 5.500 5.518 5.229 5.591 0.091 15 0 "[ . 1 . 2]" 3 382 1 38 LEU HB3 1 39 VAL H 3.650 . 5.500 3.955 3.770 4.250 . 0 0 "[ . 1 . 2]" 3 383 1 39 VAL H 1 40 ASP HB3 4.150 . 6.500 6.219 5.956 6.529 0.029 18 0 "[ . 1 . 2]" 3 384 1 38 LEU MD1 1 39 VAL H 3.650 . 5.500 4.642 4.106 4.966 . 0 0 "[ . 1 . 2]" 3 385 1 38 LEU MD2 1 39 VAL H 3.650 . 5.500 4.434 4.021 5.085 . 0 0 "[ . 1 . 2]" 3 386 1 20 GLY H 1 58 ALA MB 3.650 . 5.500 3.581 3.140 4.019 . 0 0 "[ . 1 . 2]" 3 387 1 20 GLY H 1 59 SER QB 3.650 . 5.500 3.617 2.868 4.297 . 0 0 "[ . 1 . 2]" 3 388 1 71 LYS H 1 96 GLY H 3.650 . 5.500 5.133 4.754 5.531 0.031 4 0 "[ . 1 . 2]" 3 389 1 72 ILE HA 1 96 GLY H 3.650 . 5.500 4.524 4.015 5.533 0.033 19 0 "[ . 1 . 2]" 3 390 1 93 TYR HA 1 96 GLY H 3.650 . 5.500 4.479 4.255 4.977 . 0 0 "[ . 1 . 2]" 3 391 1 94 ALA MB 1 96 GLY H 3.650 . 5.500 4.430 4.225 5.035 . 0 0 "[ . 1 . 2]" 3 392 1 28 LYS HG3 1 29 GLY H 3.650 . 5.500 4.927 4.829 5.031 . 0 0 "[ . 1 . 2]" 3 393 1 28 LYS HG2 1 29 GLY H 3.650 . 5.500 5.061 4.937 5.207 . 0 0 "[ . 1 . 2]" 3 394 1 99 VAL H 1 100 ASN HA 3.650 . 5.500 5.250 5.052 5.415 . 0 0 "[ . 1 . 2]" 3 395 1 93 TYR HB3 1 99 VAL H 3.650 . 5.500 5.031 4.601 5.364 . 0 0 "[ . 1 . 2]" 3 396 1 98 MET QG 1 99 VAL H 3.650 . 5.500 3.551 2.868 4.584 . 0 0 "[ . 1 . 2]" 3 397 1 99 VAL H 1 102 ALA MB 3.650 . 5.500 4.696 4.351 5.064 . 0 0 "[ . 1 . 2]" 3 398 1 99 VAL H 1 99 VAL MG1 3.650 . 5.500 3.756 3.734 3.787 . 0 0 "[ . 1 . 2]" 3 399 1 92 ILE MG 1 99 VAL H 3.650 . 5.500 4.060 3.875 4.409 . 0 0 "[ . 1 . 2]" 3 400 1 139 ILE H 1 140 TRP HE1 3.650 . 5.500 5.287 5.077 5.513 0.013 14 0 "[ . 1 . 2]" 3 401 1 110 LYS HA 1 140 TRP HE1 3.650 . 5.500 4.205 3.595 4.748 . 0 0 "[ . 1 . 2]" 3 402 1 107 GLY HA2 1 140 TRP HE1 3.650 . 5.500 2.506 2.165 2.730 . 0 0 "[ . 1 . 2]" 3 403 1 140 TRP HB3 1 140 TRP HE1 3.650 . 5.500 5.183 5.146 5.203 . 0 0 "[ . 1 . 2]" 3 404 1 133 LYS HA 1 140 TRP HE1 3.650 . 5.500 4.837 4.247 5.128 . 0 0 "[ . 1 . 2]" 3 405 1 132 ALA MB 1 140 TRP HE1 3.650 . 5.500 2.442 2.158 2.822 . 0 0 "[ . 1 . 2]" 3 406 1 139 ILE MG 1 140 TRP HE1 3.650 . 5.500 4.998 2.998 5.511 0.011 4 0 "[ . 1 . 2]" 3 407 1 139 ILE MD 1 140 TRP HE1 3.650 . 5.500 3.223 2.681 5.296 . 0 0 "[ . 1 . 2]" 3 408 1 107 GLY H 1 140 TRP HE1 3.650 . 4.500 4.442 3.998 4.536 0.036 3 0 "[ . 1 . 2]" 3 409 1 140 TRP H 1 140 TRP HE1 3.650 . 5.500 5.113 4.919 5.350 . 0 0 "[ . 1 . 2]" 3 410 1 93 TYR QD 1 99 VAL H 3.650 . 5.500 4.762 4.460 5.002 . 0 0 "[ . 1 . 2]" 3 411 1 93 TYR QD 1 94 ALA H 3.650 . 5.500 4.433 4.319 4.581 . 0 0 "[ . 1 . 2]" 3 412 1 73 GLU H 1 93 TYR QD 3.650 . 5.500 4.468 4.200 4.725 . 0 0 "[ . 1 . 2]" 3 413 1 108 LEU HA 1 138 ASN HD21 3.650 . 5.500 4.527 3.572 5.097 . 0 0 "[ . 1 . 2]" 3 414 1 107 GLY HA2 1 138 ASN HD21 3.650 . 5.500 5.212 4.867 5.577 0.077 18 0 "[ . 1 . 2]" 3 415 1 138 ASN HA 1 138 ASN HD22 3.650 . 5.500 4.594 4.282 5.107 . 0 0 "[ . 1 . 2]" 3 416 1 106 GLN HG3 1 138 ASN HD21 3.650 . 5.500 2.927 2.091 3.912 . 0 0 "[ . 1 . 2]" 3 417 1 106 GLN HG2 1 138 ASN HD21 3.650 . 5.500 4.494 3.703 5.520 0.020 19 0 "[ . 1 . 2]" 3 418 1 106 GLN HB3 1 138 ASN HD21 3.650 . 5.500 4.593 3.927 5.524 0.024 3 0 "[ . 1 . 2]" 3 419 1 106 GLN HB3 1 138 ASN HD22 3.650 . 5.500 4.766 4.278 5.186 . 0 0 "[ . 1 . 2]" 3 420 1 137 LEU HB3 1 138 ASN HD21 3.650 . 5.500 3.148 2.687 4.377 . 0 0 "[ . 1 . 2]" 3 421 1 137 LEU HB2 1 138 ASN HD21 3.650 . 5.500 4.581 3.764 5.519 0.019 8 0 "[ . 1 . 2]" 3 422 1 137 LEU MD1 1 138 ASN HD21 3.650 . 5.500 4.027 3.103 5.231 . 0 0 "[ . 1 . 2]" 3 423 1 137 LEU MD2 1 138 ASN HD21 3.650 . 5.500 4.757 3.656 5.513 0.013 9 0 "[ . 1 . 2]" 3 424 1 108 LEU MD1 1 138 ASN HD21 3.650 . 5.500 3.070 2.294 3.792 . 0 0 "[ . 1 . 2]" 3 425 1 108 LEU MD2 1 138 ASN HD21 3.650 . 5.500 3.678 2.815 4.706 . 0 0 "[ . 1 . 2]" 3 426 1 108 LEU MD1 1 138 ASN HD22 3.650 . 5.500 2.943 2.063 4.038 . 0 0 "[ . 1 . 2]" 3 427 1 108 LEU MD2 1 138 ASN HD22 3.650 . 5.500 3.508 2.250 4.106 . 0 0 "[ . 1 . 2]" 3 428 1 68 ASN H 1 68 ASN HD22 3.650 . 4.500 4.133 3.882 4.515 0.015 3 0 "[ . 1 . 2]" 3 429 1 64 LYS QD 1 68 ASN HD21 3.650 . 5.500 4.475 2.505 5.565 0.065 17 0 "[ . 1 . 2]" 3 430 1 64 LYS HB2 1 68 ASN HD22 3.650 . 5.500 5.216 4.663 5.530 0.030 8 0 "[ . 1 . 2]" 3 431 1 64 LYS QD 1 68 ASN HD22 3.650 . 5.500 4.245 2.167 5.522 0.022 17 0 "[ . 1 . 2]" 3 432 1 123 GLN HA 1 123 GLN HE21 3.650 . 5.500 4.809 3.846 5.632 0.132 7 0 "[ . 1 . 2]" 3 433 1 123 GLN QB 1 123 GLN HE21 3.650 . 5.500 3.101 1.830 3.997 . 0 0 "[ . 1 . 2]" 3 434 1 123 GLN QB 1 123 GLN HE22 3.650 . 5.500 3.806 3.224 4.431 . 0 0 "[ . 1 . 2]" 3 435 1 128 SER HA 1 131 GLN HE21 3.650 . 5.500 4.346 2.804 5.083 . 0 0 "[ . 1 . 2]" 3 436 1 105 ARG HA 1 131 GLN HE21 3.650 . 5.500 3.766 2.767 5.540 0.040 12 0 "[ . 1 . 2]" 3 437 1 105 ARG QB 1 131 GLN HE21 3.650 . 5.500 4.282 2.450 5.245 . 0 0 "[ . 1 . 2]" 3 438 1 105 ARG QB 1 131 GLN HE22 3.650 . 5.500 4.860 2.095 5.593 0.093 9 0 "[ . 1 . 2]" 3 439 1 131 GLN HB2 1 131 GLN HE22 3.650 . 5.500 4.684 3.739 5.117 . 0 0 "[ . 1 . 2]" 3 440 1 106 GLN HA 1 106 GLN HE21 3.650 . 5.500 2.635 2.327 3.869 . 0 0 "[ . 1 . 2]" 3 441 1 80 GLN HE22 1 83 ASP H 3.650 . 5.500 5.509 5.277 5.624 0.124 17 0 "[ . 1 . 2]" 3 442 1 80 GLN HB3 1 80 GLN HE21 3.650 . 5.500 2.998 1.855 4.438 . 0 0 "[ . 1 . 2]" 3 443 1 80 GLN HB2 1 80 GLN HE21 3.650 . 5.500 2.571 1.808 4.410 . 0 0 "[ . 1 . 2]" 3 444 1 80 GLN HE21 1 89 LEU MD2 3.650 . 5.500 4.579 3.685 5.422 . 0 0 "[ . 1 . 2]" 3 445 1 27 TYR HB2 1 30 GLN HE21 3.650 . 5.500 4.973 3.860 5.549 0.049 4 0 "[ . 1 . 2]" 3 446 1 28 LYS HB2 1 30 GLN HE21 3.650 . 5.500 4.556 2.759 5.544 0.044 15 0 "[ . 1 . 2]" 3 447 1 119 ASN HA 1 119 ASN HD21 3.650 . 5.500 4.013 1.833 4.521 . 0 0 "[ . 1 . 2]" 3 448 1 116 LYS HG3 1 119 ASN HD21 3.650 . 5.500 4.238 3.500 4.860 . 0 0 "[ . 1 . 2]" 3 449 1 116 LYS HG2 1 119 ASN HD21 3.650 . 5.500 3.462 2.151 5.522 0.022 13 0 "[ . 1 . 2]" 3 450 1 114 VAL MG1 1 119 ASN HD21 3.650 . 5.500 3.241 1.759 4.335 0.041 9 0 "[ . 1 . 2]" 3 451 1 115 TYR H 1 115 TYR QD 3.650 . 5.500 3.806 2.811 4.360 . 0 0 "[ . 1 . 2]" 3 452 1 27 TYR H 1 27 TYR QD 3.650 . 5.500 4.173 4.047 4.234 . 0 0 "[ . 1 . 2]" 3 453 1 27 TYR H 1 34 PHE QD 4.150 . 6.500 6.235 5.854 6.530 0.030 6 0 "[ . 1 . 2]" 3 454 1 133 LYS H 1 140 TRP HE1 3.650 . 5.500 4.553 3.993 4.935 . 0 0 "[ . 1 . 2]" 3 455 1 132 ALA H 1 140 TRP HE1 3.650 . 5.500 5.119 4.679 5.493 . 0 0 "[ . 1 . 2]" 3 456 1 92 ILE H 1 100 ASN HD21 3.650 . 5.500 4.049 2.469 4.905 . 0 0 "[ . 1 . 2]" 3 457 1 92 ILE H 1 100 ASN HD22 3.650 . 4.500 3.182 2.039 4.509 0.009 8 0 "[ . 1 . 2]" 3 458 1 100 ASN HA 1 100 ASN HD21 3.650 . 5.500 3.428 2.528 4.538 . 0 0 "[ . 1 . 2]" 3 459 1 100 ASN HB3 1 100 ASN HD22 3.650 . 5.500 3.600 3.448 4.043 . 0 0 "[ . 1 . 2]" 3 460 1 100 ASN HB2 1 100 ASN HD22 3.650 . 5.500 3.844 3.423 4.043 . 0 0 "[ . 1 . 2]" 3 461 1 27 TYR H 1 29 GLY HA2 3.650 . 5.500 5.318 5.132 5.507 0.007 2 0 "[ . 1 . 2]" 3 462 1 12 ALA MB 1 27 TYR H 3.650 . 5.500 4.892 4.528 5.362 . 0 0 "[ . 1 . 2]" 3 463 1 15 ILE MD 1 27 TYR H 3.650 . 5.500 4.348 4.225 4.572 . 0 0 "[ . 1 . 2]" 3 464 1 14 LEU MD1 1 17 ALA H 3.650 . 5.500 3.545 3.111 3.895 . 0 0 "[ . 1 . 2]" 3 465 1 14 LEU MD2 1 17 ALA H 3.650 . 5.500 3.112 2.464 4.084 . 0 0 "[ . 1 . 2]" 3 466 1 115 TYR HA 1 118 ASN H 3.650 . 5.500 5.338 4.989 5.533 0.033 12 0 "[ . 1 . 2]" 3 467 1 79 GLY HA3 1 118 ASN H 3.650 . 5.500 3.821 3.134 5.621 0.121 13 0 "[ . 1 . 2]" 3 468 1 78 LYS QG 1 118 ASN H 3.650 . 5.500 4.984 3.972 5.607 0.107 4 0 "[ . 1 . 2]" 3 469 1 114 VAL MG1 1 118 ASN H 3.650 . 5.500 4.802 4.238 5.516 0.016 11 0 "[ . 1 . 2]" 3 470 1 27 TYR QE 1 28 LYS H 3.650 . 5.500 4.940 4.497 5.164 . 0 0 "[ . 1 . 2]" 3 471 1 11 PRO HG2 1 28 LYS H 3.650 . 5.500 4.801 3.869 5.514 0.014 3 0 "[ . 1 . 2]" 3 472 1 72 ILE MD 1 95 ASP H 3.650 . 5.500 5.142 4.851 5.528 0.028 2 0 "[ . 1 . 2]" 3 473 1 18 ILE HA 1 24 LYS H 3.650 . 5.500 5.344 5.096 5.511 0.011 13 0 "[ . 1 . 2]" 3 474 1 25 LEU H 1 31 PRO HA 3.650 . 5.500 4.524 4.340 4.750 . 0 0 "[ . 1 . 2]" 3 475 1 93 TYR QD 1 98 MET H 3.650 . 5.500 3.548 2.887 4.100 . 0 0 "[ . 1 . 2]" 3 476 1 75 GLU H 1 92 ILE H 3.650 . 5.500 4.612 4.460 4.738 . 0 0 "[ . 1 . 2]" 3 477 1 75 GLU H 1 93 TYR QD 3.650 . 5.500 3.285 3.120 3.744 . 0 0 "[ . 1 . 2]" 3 478 1 75 GLU H 1 92 ILE HG12 3.650 . 5.500 4.351 4.287 4.438 . 0 0 "[ . 1 . 2]" 3 479 1 74 VAL MG1 1 75 GLU H 3.650 . 5.500 4.062 4.022 4.122 . 0 0 "[ . 1 . 2]" 3 480 1 76 PHE H 1 76 PHE QE 3.650 . 5.500 4.491 4.343 4.676 . 0 0 "[ . 1 . 2]" 3 481 1 76 PHE H 1 76 PHE HZ 4.150 . 6.500 6.024 5.819 6.248 . 0 0 "[ . 1 . 2]" 3 482 1 10 GLU QG 1 76 PHE H 3.650 . 5.500 3.913 3.660 4.672 . 0 0 "[ . 1 . 2]" 3 483 1 72 ILE HA 1 93 TYR H 3.650 . 5.500 4.608 4.418 4.946 . 0 0 "[ . 1 . 2]" 3 484 1 93 TYR H 1 99 VAL MG2 3.650 . 5.500 4.078 3.772 4.407 . 0 0 "[ . 1 . 2]" 3 485 1 92 ILE MD 1 93 TYR H 3.650 . 5.500 4.988 4.835 5.079 . 0 0 "[ . 1 . 2]" 3 486 1 34 PHE H 1 92 ILE MD 3.650 . 5.500 4.658 4.375 5.117 . 0 0 "[ . 1 . 2]" 3 487 1 33 THR H 1 34 PHE QD 3.650 . 5.500 4.331 4.065 4.533 . 0 0 "[ . 1 . 2]" 3 488 1 34 PHE QD 1 88 GLY H 3.650 . 5.500 3.785 3.440 3.945 . 0 0 "[ . 1 . 2]" 3 489 1 34 PHE QD 1 89 LEU H 3.650 . 5.500 4.402 4.129 4.674 . 0 0 "[ . 1 . 2]" 3 490 1 94 ALA H 1 98 MET QG 4.150 . 6.500 5.609 5.240 6.267 . 0 0 "[ . 1 . 2]" 3 491 1 70 LYS H 1 94 ALA MB 3.650 . 5.500 5.340 4.713 5.538 0.038 1 0 "[ . 1 . 2]" 3 492 1 27 TYR HB3 1 32 MET H 3.650 . 5.500 3.997 3.715 4.147 . 0 0 "[ . 1 . 2]" 3 493 1 14 LEU H 1 66 VAL HB 3.650 . 5.500 4.773 4.289 5.290 . 0 0 "[ . 1 . 2]" 3 494 1 115 TYR QD 1 116 LYS H 3.650 . 5.500 4.177 3.617 4.727 . 0 0 "[ . 1 . 2]" 3 495 1 76 PHE QD 1 89 LEU H 3.650 . 5.500 3.327 2.694 3.562 . 0 0 "[ . 1 . 2]" 3 496 1 20 GLY HA2 1 58 ALA H 3.650 . 5.500 5.439 4.833 5.598 0.098 15 0 "[ . 1 . 2]" 3 497 1 58 ALA H 1 108 LEU HB2 3.650 . 5.500 5.203 4.409 5.528 0.028 7 0 "[ . 1 . 2]" 3 498 1 80 GLN H 1 80 GLN HE21 3.650 . 5.500 4.612 3.935 5.085 . 0 0 "[ . 1 . 2]" 3 499 1 34 PHE QD 1 35 ARG H 3.650 . 5.500 3.996 3.533 4.674 . 0 0 "[ . 1 . 2]" 3 500 1 33 THR MG 1 35 ARG H 4.150 . 6.500 4.725 4.093 5.155 . 0 0 "[ . 1 . 2]" 3 501 1 35 ARG H 1 92 ILE MD 3.650 . 5.500 4.954 4.447 5.517 0.017 2 0 "[ . 1 . 2]" 3 502 1 138 ASN HD22 1 139 ILE H 3.650 . 5.500 4.913 3.274 5.541 0.041 11 0 "[ . 1 . 2]" 3 503 1 139 ILE H 1 140 TRP HD1 3.650 . 5.500 4.055 3.884 4.436 . 0 0 "[ . 1 . 2]" 3 504 1 4 THR HA 1 5 LYS H 3.650 . 5.500 2.158 2.062 2.306 . 0 0 "[ . 1 . 2]" 3 505 1 114 VAL H 1 114 VAL MG1 3.650 . 5.500 3.721 3.684 3.764 . 0 0 "[ . 1 . 2]" 3 506 1 10 GLU H 1 27 TYR QE 3.650 . 5.500 4.675 4.389 4.986 . 0 0 "[ . 1 . 2]" 3 507 1 111 VAL H 1 140 TRP HZ2 3.650 . 5.500 3.954 3.478 4.613 . 0 0 "[ . 1 . 2]" 3 508 1 111 VAL H 1 140 TRP HH2 3.650 . 5.500 4.788 4.232 5.538 0.038 16 0 "[ . 1 . 2]" 3 509 1 111 VAL H 1 129 GLU HA 3.650 . 5.500 5.181 4.768 5.406 . 0 0 "[ . 1 . 2]" 3 510 1 104 VAL QG 1 111 VAL H 3.650 . 5.500 3.463 3.125 3.767 . 0 0 "[ . 1 . 2]" 3 511 1 72 ILE MD 1 73 GLU H 3.650 . 5.500 5.078 4.874 5.218 . 0 0 "[ . 1 . 2]" 3 512 1 73 GLU H 1 74 VAL MG1 3.650 . 5.500 4.338 4.169 4.505 . 0 0 "[ . 1 . 2]" 3 513 1 25 LEU MD2 1 73 GLU H 3.650 . 5.500 5.431 5.136 5.553 0.053 13 0 "[ . 1 . 2]" 3 514 1 76 PHE QD 1 77 ASP H 3.650 . 5.500 3.797 3.506 4.120 . 0 0 "[ . 1 . 2]" 3 515 1 60 ALA H 1 61 PHE HB2 3.650 . 5.500 4.627 4.354 4.939 . 0 0 "[ . 1 . 2]" 3 516 1 91 TYR H 1 91 TYR QE 3.650 . 5.500 4.313 4.125 4.729 . 0 0 "[ . 1 . 2]" 3 517 1 91 TYR H 1 100 ASN HD22 3.650 . 5.500 5.321 4.459 5.615 0.115 9 0 "[ . 1 . 2]" 3 518 1 91 TYR H 1 92 ILE MD 4.150 . 6.500 5.768 5.656 5.905 . 0 0 "[ . 1 . 2]" 3 519 1 124 LEU MD1 1 127 LYS H 3.650 . 5.500 4.941 4.586 5.255 . 0 0 "[ . 1 . 2]" 3 520 1 92 ILE H 1 99 VAL H 3.650 . 5.500 4.472 4.156 5.238 . 0 0 "[ . 1 . 2]" 3 521 1 134 LYS H 1 134 LYS QE 3.650 . 5.500 4.485 3.626 5.133 . 0 0 "[ . 1 . 2]" 3 522 1 58 ALA MB 1 61 PHE H 3.650 . 5.500 4.598 4.364 4.718 . 0 0 "[ . 1 . 2]" 3 523 1 71 LYS H 1 95 ASP HB3 3.650 . 5.500 4.364 2.157 5.025 . 0 0 "[ . 1 . 2]" 3 524 1 71 LYS H 1 71 LYS QE 3.650 . 5.500 4.554 3.897 5.160 . 0 0 "[ . 1 . 2]" 3 525 1 85 TYR H 1 87 ARG H 3.650 . 5.500 3.516 3.354 3.836 . 0 0 "[ . 1 . 2]" 3 526 1 93 TYR QD 1 97 LYS H 3.650 . 5.500 4.226 3.534 4.646 . 0 0 "[ . 1 . 2]" 3 527 1 97 LYS H 1 99 VAL MG2 3.650 . 5.500 4.991 4.669 5.300 . 0 0 "[ . 1 . 2]" 3 528 1 69 ALA H 1 94 ALA MB 3.650 . 5.500 3.907 3.399 4.125 . 0 0 "[ . 1 . 2]" 3 529 1 83 ASP H 1 89 LEU H 3.650 . 5.500 4.036 3.688 4.491 . 0 0 "[ . 1 . 2]" 3 530 1 58 ALA MB 1 62 THR H 3.650 . 5.500 4.351 3.910 4.623 . 0 0 "[ . 1 . 2]" 3 531 1 62 THR H 1 108 LEU HB2 4.150 . 6.500 6.248 5.991 6.503 0.003 16 0 "[ . 1 . 2]" 3 532 1 91 TYR QE 1 122 GLU H 3.650 . 5.500 4.475 3.782 5.525 0.025 13 0 "[ . 1 . 2]" 3 533 1 120 THR MG 1 122 GLU H 3.650 . 5.500 4.992 4.745 5.243 . 0 0 "[ . 1 . 2]" 3 534 1 34 PHE QD 1 90 ALA H 3.650 . 5.500 2.958 2.685 3.274 . 0 0 "[ . 1 . 2]" 3 535 1 90 ALA H 1 92 ILE MD 3.650 . 5.500 4.460 4.213 4.686 . 0 0 "[ . 1 . 2]" 3 536 1 139 ILE MD 1 140 TRP H 3.650 . 5.500 4.626 4.342 5.067 . 0 0 "[ . 1 . 2]" 3 537 1 12 ALA H 1 25 LEU MD2 4.150 . 6.500 5.122 4.783 5.376 . 0 0 "[ . 1 . 2]" 3 538 1 130 ALA H 1 131 GLN QG 4.150 . 6.500 5.944 4.665 6.411 . 0 0 "[ . 1 . 2]" 3 539 1 8 HIS H 1 8 HIS HD2 3.650 . 5.500 2.679 2.334 3.059 . 0 0 "[ . 1 . 2]" 3 540 1 8 HIS H 1 75 GLU HA 3.650 . 5.500 3.730 3.373 4.398 . 0 0 "[ . 1 . 2]" 3 541 1 138 ASN H 1 138 ASN HD21 3.650 . 5.500 2.399 1.930 3.571 . 0 0 "[ . 1 . 2]" 3 542 1 138 ASN H 1 138 ASN HD22 3.650 . 5.500 3.404 3.065 3.794 . 0 0 "[ . 1 . 2]" 3 543 1 125 LEU MD1 1 126 ARG H 3.650 . 5.500 4.592 4.470 4.748 . 0 0 "[ . 1 . 2]" 3 544 1 121 HIS HB2 1 125 LEU H 3.650 . 5.500 5.049 4.672 5.535 0.035 17 0 "[ . 1 . 2]" 3 545 1 124 LEU MD1 1 128 SER H 3.650 . 5.500 4.324 3.841 5.084 . 0 0 "[ . 1 . 2]" 3 546 1 23 VAL H 1 34 PHE QD 4.150 . 6.500 5.123 4.721 5.441 . 0 0 "[ . 1 . 2]" 3 547 1 23 VAL H 1 23 VAL MG1 3.650 . 5.500 3.121 3.042 3.192 . 0 0 "[ . 1 . 2]" 3 548 1 74 VAL H 1 93 TYR QD 3.650 . 5.500 5.059 4.736 5.416 . 0 0 "[ . 1 . 2]" 3 549 1 114 VAL MG1 1 123 GLN H 4.150 . 6.500 5.929 5.517 6.500 . 0 0 "[ . 1 . 2]" 3 550 1 91 TYR QE 1 119 ASN H 3.650 . 5.500 5.054 4.130 5.554 0.054 12 0 "[ . 1 . 2]" 3 551 1 119 ASN H 1 119 ASN HD22 4.150 . 6.500 4.858 3.610 6.205 . 0 0 "[ . 1 . 2]" 3 552 1 78 LYS QD 1 119 ASN H 3.650 . 5.500 4.661 3.332 5.367 . 0 0 "[ . 1 . 2]" 3 553 1 40 ASP HB3 1 110 LYS H 3.650 . 5.500 3.837 2.647 4.558 . 0 0 "[ . 1 . 2]" 3 554 1 41 THR MG 1 110 LYS H 3.650 . 5.500 3.921 3.566 4.275 . 0 0 "[ . 1 . 2]" 3 555 1 133 LYS H 1 140 TRP HD1 3.650 . 5.500 4.414 4.012 4.739 . 0 0 "[ . 1 . 2]" 3 556 1 131 GLN HB3 1 133 LYS H 3.650 . 5.500 4.859 4.638 5.408 . 0 0 "[ . 1 . 2]" 3 557 1 137 LEU H 1 140 TRP HD1 3.650 . 5.500 3.319 2.784 3.848 . 0 0 "[ . 1 . 2]" 3 558 1 137 LEU H 1 140 TRP HA 3.650 . 5.500 5.512 5.405 5.565 0.065 18 0 "[ . 1 . 2]" 3 559 1 132 ALA MB 1 136 LYS H 3.650 . 5.500 5.003 4.796 5.219 . 0 0 "[ . 1 . 2]" 3 560 1 133 LYS HB2 1 136 LYS H 3.650 . 5.500 5.415 5.270 5.527 0.027 11 0 "[ . 1 . 2]" 3 561 1 147 SER H 1 147 SER HB2 3.650 . 5.500 2.963 2.421 3.656 . 0 0 "[ . 1 . 2]" 3 562 1 137 LEU HB2 1 141 SER H 3.650 . 5.500 5.492 5.366 5.551 0.051 17 0 "[ . 1 . 2]" 3 563 1 139 ILE HG12 1 141 SER H 3.650 . 5.500 5.354 5.053 5.504 0.004 12 0 "[ . 1 . 2]" 3 564 1 108 LEU H 1 139 ILE MD 3.650 . 5.500 4.068 3.627 5.507 0.007 9 0 "[ . 1 . 2]" 3 565 1 22 THR H 1 35 ARG QG 3.650 . 5.500 4.288 3.507 5.015 . 0 0 "[ . 1 . 2]" 3 566 1 22 THR H 1 62 THR MG 3.650 . 5.500 4.786 3.309 5.497 . 0 0 "[ . 1 . 2]" 3 567 1 106 GLN HB3 1 109 ALA H 3.650 . 5.500 5.446 5.185 5.593 0.093 16 0 "[ . 1 . 2]" 3 568 1 103 LEU MD1 1 109 ALA H 3.650 . 5.500 5.273 5.032 5.548 0.048 9 0 "[ . 1 . 2]" 3 569 1 19 ASP H 1 19 ASP HB2 3.650 . 5.500 3.372 2.722 4.118 . 0 0 "[ . 1 . 2]" 3 570 1 106 GLN H 1 132 ALA MB 3.650 . 5.500 4.197 3.946 4.552 . 0 0 "[ . 1 . 2]" 3 571 1 21 ASP H 1 59 SER HA 3.650 . 5.500 5.171 4.767 5.512 0.012 3 0 "[ . 1 . 2]" 3 572 1 79 GLY H 1 117 PRO HB2 3.650 . 5.500 4.000 3.186 5.156 . 0 0 "[ . 1 . 2]" 3 573 1 100 ASN H 1 100 ASN HD22 3.650 . 5.500 4.182 3.235 5.503 0.003 8 0 "[ . 1 . 2]" 3 574 1 91 TYR HA 1 100 ASN H 3.650 . 5.500 4.903 4.589 5.434 . 0 0 "[ . 1 . 2]" 3 575 1 13 THR H 1 26 MET HG2 3.650 . 5.500 4.634 4.353 4.955 . 0 0 "[ . 1 . 2]" 3 576 1 85 TYR QD 1 86 GLY H 3.650 . 5.500 4.745 4.350 4.909 . 0 0 "[ . 1 . 2]" 3 577 1 118 ASN H 1 118 ASN HD21 3.650 . 5.500 4.697 2.918 4.935 . 0 0 "[ . 1 . 2]" 3 578 1 80 GLN H 1 118 ASN HD21 3.650 . 5.500 4.196 3.752 5.120 . 0 0 "[ . 1 . 2]" 3 579 1 118 ASN HA 1 118 ASN HD22 3.650 . 5.500 4.238 3.869 4.567 . 0 0 "[ . 1 . 2]" 3 580 1 80 GLN HB3 1 118 ASN HD21 4.150 . 6.500 6.089 5.004 6.511 0.011 1 0 "[ . 1 . 2]" 3 581 1 80 GLN HB2 1 118 ASN HD21 4.150 . 6.500 5.245 3.694 6.206 . 0 0 "[ . 1 . 2]" 3 582 1 89 LEU HB3 1 118 ASN HD21 3.650 . 5.500 3.146 2.202 5.510 0.010 9 0 "[ . 1 . 2]" 3 583 1 89 LEU HB2 1 118 ASN HD21 3.650 . 5.500 3.542 2.500 5.592 0.092 9 0 "[ . 1 . 2]" 3 584 1 89 LEU MD2 1 118 ASN HD22 3.650 . 5.500 4.863 3.073 5.579 0.079 4 0 "[ . 1 . 2]" 3 585 1 89 LEU MD2 1 118 ASN HD21 3.650 . 5.500 4.553 3.165 5.511 0.011 9 0 "[ . 1 . 2]" 3 586 1 107 GLY H 1 137 LEU MD1 3.650 . 5.500 3.805 3.161 4.910 . 0 0 "[ . 1 . 2]" 3 587 1 81 ARG HD3 1 82 THR H 4.150 . 6.500 5.922 5.127 6.197 . 0 0 "[ . 1 . 2]" 3 588 1 93 TYR QD 1 96 GLY H 3.650 . 5.500 4.377 3.799 4.650 . 0 0 "[ . 1 . 2]" 3 589 1 27 TYR QD 1 29 GLY H 3.650 . 5.500 5.493 5.407 5.542 0.042 10 0 "[ . 1 . 2]" 3 590 1 131 GLN HE22 1 137 LEU MD1 3.650 . 5.500 4.284 2.262 5.504 0.004 8 0 "[ . 1 . 2]" 3 591 1 106 GLN H 1 137 LEU MD1 3.650 . 5.500 4.564 3.911 5.510 0.010 7 0 "[ . 1 . 2]" 3 592 1 114 VAL MG1 1 119 ASN HD22 3.650 . 5.500 4.149 2.279 4.870 . 0 0 "[ . 1 . 2]" 3 593 1 69 ALA MB 1 96 GLY H 3.650 . 5.500 4.489 4.074 5.291 . 0 0 "[ . 1 . 2]" 3 594 1 57 GLU QB 1 58 ALA H 3.650 . 5.500 2.976 1.855 3.909 . 0 0 "[ . 1 . 2]" 3 595 1 57 GLU QG 1 58 ALA H 3.650 . 5.500 3.766 1.808 4.644 . 0 0 "[ . 1 . 2]" 3 596 1 20 GLY H 1 41 THR MG 3.650 . 5.500 3.923 3.295 4.877 . 0 0 "[ . 1 . 2]" 3 597 1 20 GLY H 1 41 THR HB 3.650 . 5.500 4.085 3.294 5.530 0.030 1 0 "[ . 1 . 2]" 3 598 1 40 ASP H 1 112 ALA H 3.150 . 4.500 4.012 3.685 4.245 . 0 0 "[ . 1 . 2]" 3 599 1 39 VAL HA 1 112 ALA H 3.150 . 4.500 2.731 2.241 3.230 . 0 0 "[ . 1 . 2]" 3 600 1 114 VAL HA 1 115 TYR H 2.650 . 3.500 2.142 2.054 2.228 . 0 0 "[ . 1 . 2]" 3 601 1 115 TYR H 1 115 TYR QB 3.150 . 4.500 2.467 2.240 2.661 . 0 0 "[ . 1 . 2]" 3 602 1 27 TYR H 1 30 GLN H 3.150 . 3.500 3.206 2.927 3.513 0.013 15 0 "[ . 1 . 2]" 3 603 1 27 TYR H 1 27 TYR HB3 3.150 . 4.500 2.437 2.275 2.555 . 0 0 "[ . 1 . 2]" 3 604 1 27 TYR H 1 27 TYR HB2 3.150 . 4.500 2.976 2.882 3.127 . 0 0 "[ . 1 . 2]" 3 605 1 26 MET HG3 1 27 TYR H 3.150 . 4.500 3.670 3.363 3.858 . 0 0 "[ . 1 . 2]" 3 606 1 26 MET HB3 1 27 TYR H 3.150 . 4.500 4.262 4.166 4.335 . 0 0 "[ . 1 . 2]" 3 607 1 26 MET HG2 1 27 TYR H 3.150 . 4.500 3.575 3.303 3.737 . 0 0 "[ . 1 . 2]" 3 608 1 27 TYR H 1 32 MET HB2 3.150 . 4.500 4.116 3.690 4.510 0.010 5 0 "[ . 1 . 2]" 3 609 1 26 MET HB2 1 27 TYR H 3.150 . 4.500 4.428 4.352 4.514 0.014 6 0 "[ . 1 . 2]" 3 610 1 17 ALA H 1 17 ALA MB 3.150 . 4.500 2.284 2.247 2.351 . 0 0 "[ . 1 . 2]" 3 611 1 71 LYS HB2 1 72 ILE H 2.650 . 3.500 3.343 2.798 3.576 0.076 4 0 "[ . 1 . 2]" 3 612 1 72 ILE H 1 72 ILE HG13 2.650 . 3.500 2.558 2.380 2.774 . 0 0 "[ . 1 . 2]" 3 613 1 72 ILE H 1 72 ILE MG 3.150 . 4.500 3.811 3.769 3.841 . 0 0 "[ . 1 . 2]" 3 614 1 118 ASN H 1 119 ASN H 3.150 . 4.500 3.936 3.652 4.212 . 0 0 "[ . 1 . 2]" 3 615 1 117 PRO HA 1 118 ASN H 2.650 . 3.500 3.251 3.157 3.328 . 0 0 "[ . 1 . 2]" 3 616 1 116 LYS HA 1 118 ASN H 2.650 . 3.500 2.347 2.093 2.582 . 0 0 "[ . 1 . 2]" 3 617 1 117 PRO HB2 1 118 ASN H 3.150 . 4.500 4.004 3.825 4.225 . 0 0 "[ . 1 . 2]" 3 618 1 116 LYS QB 1 118 ASN H 3.150 . 4.500 4.080 3.868 4.410 . 0 0 "[ . 1 . 2]" 3 619 1 28 LYS H 1 29 GLY H 3.150 . 3.500 2.664 2.571 2.784 . 0 0 "[ . 1 . 2]" 3 620 1 27 TYR HB2 1 28 LYS H 3.150 . 4.500 4.405 4.290 4.505 0.005 4 0 "[ . 1 . 2]" 3 621 1 28 LYS H 1 28 LYS HB3 3.150 . 4.500 4.044 3.973 4.078 . 0 0 "[ . 1 . 2]" 3 622 1 28 LYS H 1 28 LYS HG3 2.650 . 3.500 2.899 2.687 3.013 . 0 0 "[ . 1 . 2]" 3 623 1 28 LYS H 1 28 LYS HG2 3.150 . 4.500 3.383 3.204 3.560 . 0 0 "[ . 1 . 2]" 3 624 1 95 ASP H 1 96 GLY H 3.150 . 4.500 2.616 2.321 3.161 . 0 0 "[ . 1 . 2]" 3 625 1 71 LYS H 1 95 ASP H 3.150 . 4.500 3.461 2.829 3.877 . 0 0 "[ . 1 . 2]" 3 626 1 72 ILE HA 1 95 ASP H 3.150 . 4.500 2.927 2.533 3.346 . 0 0 "[ . 1 . 2]" 3 627 1 95 ASP H 1 95 ASP HB3 3.150 . 4.500 3.626 2.996 3.868 . 0 0 "[ . 1 . 2]" 3 628 1 95 ASP H 1 95 ASP HB2 3.150 . 4.500 3.216 2.781 4.068 . 0 0 "[ . 1 . 2]" 3 629 1 69 ALA MB 1 95 ASP H 3.150 . 4.500 2.297 2.044 2.674 . 0 0 "[ . 1 . 2]" 3 630 1 23 VAL HA 1 24 LYS H 2.650 . 3.500 2.376 2.229 2.478 . 0 0 "[ . 1 . 2]" 3 631 1 24 LYS H 1 24 LYS HB3 3.150 . 4.500 2.721 2.657 2.797 . 0 0 "[ . 1 . 2]" 3 632 1 23 VAL HB 1 24 LYS H 2.650 . 3.500 2.486 2.288 2.814 . 0 0 "[ . 1 . 2]" 3 633 1 18 ILE MD 1 24 LYS H 3.150 . 4.500 3.787 3.564 4.098 . 0 0 "[ . 1 . 2]" 3 634 1 24 LYS H 1 24 LYS QG 3.150 . 4.500 4.058 3.989 4.105 . 0 0 "[ . 1 . 2]" 3 635 1 24 LYS HA 1 25 LEU H 2.300 . 2.800 2.098 2.034 2.139 . 0 0 "[ . 1 . 2]" 3 636 1 25 LEU H 1 33 THR HA 3.150 . 4.500 3.442 3.143 3.637 . 0 0 "[ . 1 . 2]" 3 637 1 25 LEU H 1 25 LEU HB3 3.150 . 4.500 3.358 3.236 3.425 . 0 0 "[ . 1 . 2]" 3 638 1 24 LYS HB2 1 25 LEU H 3.150 . 4.500 4.387 4.293 4.480 . 0 0 "[ . 1 . 2]" 3 639 1 25 LEU H 1 25 LEU HG 3.150 . 4.500 2.384 2.212 2.497 . 0 0 "[ . 1 . 2]" 3 640 1 25 LEU H 1 25 LEU MD1 3.150 . 4.500 2.802 2.675 2.959 . 0 0 "[ . 1 . 2]" 3 641 1 97 LYS H 1 98 MET H 3.150 . 4.500 4.438 4.329 4.529 0.029 13 0 "[ . 1 . 2]" 3 642 1 98 MET H 1 98 MET QB 2.650 . 3.500 2.425 2.207 2.793 . 0 0 "[ . 1 . 2]" 3 643 1 98 MET H 1 98 MET QG 3.150 . 4.500 3.493 2.001 4.037 . 0 0 "[ . 1 . 2]" 3 644 1 75 GLU H 1 91 TYR H 3.150 . 4.500 2.867 2.625 2.999 . 0 0 "[ . 1 . 2]" 3 645 1 75 GLU H 1 92 ILE HA 3.150 . 4.500 3.272 3.117 3.427 . 0 0 "[ . 1 . 2]" 3 646 1 75 GLU H 1 90 ALA HA 3.150 . 4.500 4.262 3.862 4.531 0.031 6 0 "[ . 1 . 2]" 3 647 1 75 GLU H 1 91 TYR HB3 3.150 . 4.500 4.528 4.381 4.575 0.075 12 0 "[ . 1 . 2]" 3 648 1 75 GLU H 1 75 GLU HB3 3.150 . 4.500 2.530 2.395 2.602 . 0 0 "[ . 1 . 2]" 3 649 1 75 GLU H 1 75 GLU HG2 3.150 . 4.500 4.458 4.365 4.503 0.003 13 0 "[ . 1 . 2]" 3 650 1 75 GLU H 1 75 GLU HB2 3.150 . 4.500 2.815 2.719 2.923 . 0 0 "[ . 1 . 2]" 3 651 1 74 VAL HB 1 75 GLU H 3.150 . 4.500 3.429 3.255 3.526 . 0 0 "[ . 1 . 2]" 3 652 1 75 GLU H 1 90 ALA MB 3.150 . 4.500 2.580 2.482 2.693 . 0 0 "[ . 1 . 2]" 3 653 1 76 PHE H 1 76 PHE HA 2.650 . 3.500 2.903 2.881 2.923 . 0 0 "[ . 1 . 2]" 3 654 1 76 PHE H 1 76 PHE HB3 3.150 . 4.500 3.652 3.601 3.673 . 0 0 "[ . 1 . 2]" 3 655 1 75 GLU HG3 1 76 PHE H 3.150 . 4.500 3.606 3.382 3.861 . 0 0 "[ . 1 . 2]" 3 656 1 75 GLU HG2 1 76 PHE H 3.150 . 4.500 3.561 3.319 3.779 . 0 0 "[ . 1 . 2]" 3 657 1 75 GLU HB2 1 76 PHE H 3.150 . 4.500 4.371 4.311 4.430 . 0 0 "[ . 1 . 2]" 3 658 1 73 GLU H 1 93 TYR H 3.150 . 4.500 2.926 2.730 3.094 . 0 0 "[ . 1 . 2]" 3 659 1 74 VAL HA 1 93 TYR H 3.150 . 4.500 3.338 3.115 3.557 . 0 0 "[ . 1 . 2]" 3 660 1 93 TYR H 1 93 TYR HB3 3.150 . 4.500 3.668 3.614 3.728 . 0 0 "[ . 1 . 2]" 3 661 1 93 TYR H 1 93 TYR HB2 3.150 . 4.500 2.490 2.412 2.577 . 0 0 "[ . 1 . 2]" 3 662 1 92 ILE HB 1 93 TYR H 3.150 . 4.500 4.156 4.049 4.245 . 0 0 "[ . 1 . 2]" 3 663 1 92 ILE MG 1 93 TYR H 3.150 . 4.500 2.620 2.427 2.797 . 0 0 "[ . 1 . 2]" 3 664 1 25 LEU H 1 34 PHE H 3.150 . 4.500 4.190 3.921 4.442 . 0 0 "[ . 1 . 2]" 3 665 1 33 THR H 1 34 PHE H 3.150 . 4.500 4.432 4.338 4.502 0.002 11 0 "[ . 1 . 2]" 3 666 1 23 VAL H 1 34 PHE H 3.150 . 4.500 2.941 2.780 3.124 . 0 0 "[ . 1 . 2]" 3 667 1 24 LYS HA 1 34 PHE H 3.150 . 4.500 3.103 2.930 3.239 . 0 0 "[ . 1 . 2]" 3 668 1 34 PHE H 1 34 PHE HB3 3.150 . 4.500 3.656 3.605 3.713 . 0 0 "[ . 1 . 2]" 3 669 1 24 LYS QG 1 34 PHE H 3.150 . 4.500 4.532 4.424 4.593 0.093 18 0 "[ . 1 . 2]" 3 670 1 33 THR MG 1 34 PHE H 3.150 . 4.500 2.637 2.392 2.803 . 0 0 "[ . 1 . 2]" 3 671 1 23 VAL MG2 1 34 PHE H 3.150 . 4.500 3.205 2.944 3.484 . 0 0 "[ . 1 . 2]" 3 672 1 94 ALA H 1 99 VAL H 3.150 . 4.500 3.255 2.991 3.465 . 0 0 "[ . 1 . 2]" 3 673 1 94 ALA H 1 97 LYS H 2.650 . 3.500 3.160 2.950 3.293 . 0 0 "[ . 1 . 2]" 3 674 1 94 ALA H 1 94 ALA HA 2.650 . 3.500 2.931 2.914 2.959 . 0 0 "[ . 1 . 2]" 3 675 1 93 TYR HB3 1 94 ALA H 3.150 . 4.500 3.325 3.127 3.465 . 0 0 "[ . 1 . 2]" 3 676 1 93 TYR HB2 1 94 ALA H 3.150 . 4.500 4.217 4.080 4.295 . 0 0 "[ . 1 . 2]" 3 677 1 94 ALA H 1 97 LYS HB2 3.150 . 4.500 3.475 3.097 3.806 . 0 0 "[ . 1 . 2]" 3 678 1 94 ALA H 1 94 ALA MB 3.150 . 4.500 2.293 2.214 2.399 . 0 0 "[ . 1 . 2]" 3 679 1 94 ALA H 1 99 VAL MG2 3.150 . 4.500 2.442 2.279 2.779 . 0 0 "[ . 1 . 2]" 3 680 1 69 ALA H 1 70 LYS H 3.150 . 4.500 4.498 4.386 4.536 0.036 13 0 "[ . 1 . 2]" 3 681 1 70 LYS H 1 70 LYS HA 2.650 . 3.500 2.857 2.815 2.902 . 0 0 "[ . 1 . 2]" 3 682 1 70 LYS H 1 70 LYS HB3 2.650 . 3.500 3.556 3.522 3.599 0.099 3 0 "[ . 1 . 2]" 3 683 1 70 LYS H 1 70 LYS HB2 2.650 . 3.500 2.401 2.277 2.687 . 0 0 "[ . 1 . 2]" 3 684 1 69 ALA MB 1 70 LYS H 3.150 . 4.500 2.930 2.531 3.200 . 0 0 "[ . 1 . 2]" 3 685 1 25 LEU H 1 32 MET H 3.150 . 4.500 3.131 2.980 3.220 . 0 0 "[ . 1 . 2]" 3 686 1 27 TYR H 1 32 MET H 3.150 . 4.500 3.397 3.192 3.569 . 0 0 "[ . 1 . 2]" 3 687 1 32 MET H 1 33 THR H 3.150 . 4.500 4.273 4.177 4.350 . 0 0 "[ . 1 . 2]" 3 688 1 24 LYS HA 1 32 MET H 3.150 . 4.500 4.409 4.163 4.516 0.016 16 0 "[ . 1 . 2]" 3 689 1 32 MET H 1 32 MET HA 2.650 . 3.500 2.897 2.858 2.914 . 0 0 "[ . 1 . 2]" 3 690 1 32 MET H 1 32 MET HG3 3.150 . 4.500 4.512 3.725 4.571 0.071 15 0 "[ . 1 . 2]" 3 691 1 31 PRO HB2 1 32 MET H 3.150 . 4.500 3.762 3.570 3.842 . 0 0 "[ . 1 . 2]" 3 692 1 24 LYS QG 1 32 MET H 3.150 . 4.500 3.395 2.937 3.665 . 0 0 "[ . 1 . 2]" 3 693 1 15 ILE MD 1 32 MET H 3.150 . 4.500 3.593 3.311 3.882 . 0 0 "[ . 1 . 2]" 3 694 1 13 THR H 1 14 LEU H 3.150 . 4.500 4.300 4.221 4.402 . 0 0 "[ . 1 . 2]" 3 695 1 14 LEU H 1 72 ILE HG13 3.150 . 4.500 4.201 3.808 4.509 0.009 5 0 "[ . 1 . 2]" 3 696 1 13 THR MG 1 14 LEU H 3.150 . 4.500 2.536 2.407 2.788 . 0 0 "[ . 1 . 2]" 3 697 1 14 LEU H 1 72 ILE MD 3.150 . 4.500 1.995 1.900 2.133 . 0 0 "[ . 1 . 2]" 3 698 1 115 TYR HA 1 116 LYS H 2.650 . 3.500 2.157 1.987 2.330 . 0 0 "[ . 1 . 2]" 3 699 1 116 LYS H 1 116 LYS QB 2.650 . 3.500 2.325 2.097 2.433 . 0 0 "[ . 1 . 2]" 3 700 1 116 LYS H 1 116 LYS QD 3.150 . 4.500 3.795 3.412 4.482 . 0 0 "[ . 1 . 2]" 3 701 1 116 LYS H 1 116 LYS HG3 3.150 . 4.500 2.500 2.118 4.247 . 0 0 "[ . 1 . 2]" 3 702 1 116 LYS H 1 116 LYS HG2 3.150 . 4.500 3.717 3.497 4.420 . 0 0 "[ . 1 . 2]" 3 703 1 15 ILE H 1 16 LYS H 2.650 . 3.500 2.264 2.087 2.373 . 0 0 "[ . 1 . 2]" 3 704 1 15 ILE H 1 25 LEU HA 3.150 . 4.500 2.047 1.855 2.497 . 0 0 "[ . 1 . 2]" 3 705 1 14 LEU HA 1 15 ILE H 2.650 . 3.500 2.202 2.140 2.260 . 0 0 "[ . 1 . 2]" 3 706 1 14 LEU HB3 1 15 ILE H 3.150 . 4.500 3.928 3.669 4.067 . 0 0 "[ . 1 . 2]" 3 707 1 15 ILE H 1 15 ILE HG13 3.150 . 4.500 2.766 2.565 3.032 . 0 0 "[ . 1 . 2]" 3 708 1 15 ILE H 1 15 ILE HB 2.650 . 3.500 2.568 2.485 2.871 . 0 0 "[ . 1 . 2]" 3 709 1 14 LEU HG 1 15 ILE H 2.650 . 3.500 2.408 2.031 3.847 0.347 11 0 "[ . 1 . 2]" 3 710 1 14 LEU HB2 1 15 ILE H 3.150 . 4.500 4.045 3.801 4.161 . 0 0 "[ . 1 . 2]" 3 711 1 15 ILE H 1 15 ILE HG12 3.150 . 4.500 3.865 3.725 4.073 . 0 0 "[ . 1 . 2]" 3 712 1 15 ILE H 1 15 ILE MD 3.150 . 4.500 4.003 3.849 4.265 . 0 0 "[ . 1 . 2]" 3 713 1 76 PHE QE 1 89 LEU H 3.150 . 4.500 3.025 2.595 3.510 . 0 0 "[ . 1 . 2]" 3 714 1 82 THR HA 1 89 LEU H 3.150 . 4.500 2.573 2.360 2.971 . 0 0 "[ . 1 . 2]" 3 715 1 88 GLY HA3 1 89 LEU H 2.650 . 3.500 3.065 2.962 3.161 . 0 0 "[ . 1 . 2]" 3 716 1 88 GLY HA2 1 89 LEU H 2.650 . 3.500 2.194 2.122 2.309 . 0 0 "[ . 1 . 2]" 3 717 1 89 LEU H 1 89 LEU HG 3.150 . 4.500 2.831 2.698 3.017 . 0 0 "[ . 1 . 2]" 3 718 1 89 LEU H 1 89 LEU HB2 3.150 . 4.500 2.531 2.449 2.708 . 0 0 "[ . 1 . 2]" 3 719 1 129 GLU H 1 130 ALA H 2.650 . 3.500 2.636 2.553 2.743 . 0 0 "[ . 1 . 2]" 3 720 1 128 SER H 1 129 GLU H 2.650 . 3.500 2.661 2.538 2.832 . 0 0 "[ . 1 . 2]" 3 721 1 128 SER HA 1 129 GLU H 3.150 . 4.500 3.536 3.508 3.571 . 0 0 "[ . 1 . 2]" 3 722 1 128 SER HB3 1 129 GLU H 3.150 . 4.500 3.764 3.590 3.920 . 0 0 "[ . 1 . 2]" 3 723 1 126 ARG HA 1 129 GLU H 2.650 . 3.500 3.274 2.844 3.556 0.056 16 0 "[ . 1 . 2]" 3 724 1 129 GLU H 1 129 GLU HA 2.650 . 3.500 2.813 2.786 2.833 . 0 0 "[ . 1 . 2]" 3 725 1 128 SER HB2 1 129 GLU H 3.150 . 4.500 2.693 2.456 2.999 . 0 0 "[ . 1 . 2]" 3 726 1 129 GLU H 1 129 GLU HG3 3.150 . 4.500 4.441 4.361 4.505 0.005 17 0 "[ . 1 . 2]" 3 727 1 129 GLU H 1 129 GLU HB2 2.650 . 3.500 2.561 2.484 2.689 . 0 0 "[ . 1 . 2]" 3 728 1 129 GLU H 1 130 ALA MB 3.150 . 4.500 4.281 4.206 4.385 . 0 0 "[ . 1 . 2]" 3 729 1 104 VAL QG 1 129 GLU H 3.150 . 4.500 2.549 2.436 2.674 . 0 0 "[ . 1 . 2]" 3 730 1 58 ALA H 1 58 ALA MB 3.150 . 4.500 2.209 2.176 2.247 . 0 0 "[ . 1 . 2]" 3 731 1 79 GLY HA3 1 80 GLN H 2.650 . 3.500 2.224 2.085 3.284 . 0 0 "[ . 1 . 2]" 3 732 1 80 GLN H 1 80 GLN HA 2.650 . 3.500 2.873 2.820 2.924 . 0 0 "[ . 1 . 2]" 3 733 1 80 GLN H 1 80 GLN HG3 2.650 . 3.500 2.803 2.115 3.446 . 0 0 "[ . 1 . 2]" 3 734 1 80 GLN H 1 80 GLN HB3 3.150 . 4.500 3.271 2.481 3.711 . 0 0 "[ . 1 . 2]" 3 735 1 80 GLN H 1 80 GLN HB2 2.650 . 3.500 2.947 2.320 3.555 0.055 4 0 "[ . 1 . 2]" 3 736 1 119 ASN H 1 120 THR H 2.650 . 3.500 2.314 1.774 3.339 0.026 13 0 "[ . 1 . 2]" 3 737 1 120 THR H 1 121 HIS H 3.150 . 4.500 2.495 1.893 2.876 . 0 0 "[ . 1 . 2]" 3 738 1 118 ASN HA 1 120 THR H 3.150 . 4.500 3.853 3.229 4.560 0.060 5 0 "[ . 1 . 2]" 3 739 1 119 ASN HA 1 120 THR H 3.150 . 4.500 2.830 2.104 3.432 . 0 0 "[ . 1 . 2]" 3 740 1 35 ARG H 1 88 GLY H 3.150 . 4.500 3.664 3.396 4.168 . 0 0 "[ . 1 . 2]" 3 741 1 34 PHE HA 1 35 ARG H 2.650 . 2.800 2.222 2.166 2.308 . 0 0 "[ . 1 . 2]" 3 742 1 34 PHE HB3 1 35 ARG H 3.150 . 4.500 2.990 2.699 3.552 . 0 0 "[ . 1 . 2]" 3 743 1 34 PHE HB2 1 35 ARG H 3.150 . 4.500 4.139 3.973 4.467 . 0 0 "[ . 1 . 2]" 3 744 1 35 ARG H 1 87 ARG HB2 3.150 . 4.500 3.908 3.143 4.529 0.029 5 0 "[ . 1 . 2]" 3 745 1 35 ARG H 1 35 ARG HB2 3.150 . 4.500 3.178 2.753 3.537 . 0 0 "[ . 1 . 2]" 3 746 1 144 ASN H 1 145 ALA H 3.150 . 4.500 2.320 1.873 2.924 . 0 0 "[ . 1 . 2]" 3 747 1 145 ALA H 1 145 ALA MB 3.150 . 4.500 2.584 2.229 2.981 . 0 0 "[ . 1 . 2]" 3 748 1 9 LYS H 1 9 LYS HB3 2.650 . 3.500 3.517 3.407 3.581 0.081 8 0 "[ . 1 . 2]" 3 749 1 9 LYS H 1 9 LYS HB2 2.650 . 3.500 2.284 2.209 2.429 . 0 0 "[ . 1 . 2]" 3 750 1 9 LYS H 1 9 LYS HG3 3.150 . 4.500 3.618 2.792 4.217 . 0 0 "[ . 1 . 2]" 3 751 1 9 LYS H 1 9 LYS HG2 3.150 . 4.500 4.268 3.962 4.501 0.001 17 0 "[ . 1 . 2]" 3 752 1 138 ASN HA 1 139 ILE H 3.150 . 4.500 3.609 3.582 3.671 . 0 0 "[ . 1 . 2]" 3 753 1 138 ASN HB3 1 139 ILE H 3.150 . 4.500 3.477 3.132 4.202 . 0 0 "[ . 1 . 2]" 3 754 1 138 ASN HB2 1 139 ILE H 3.150 . 4.500 2.694 2.193 3.818 . 0 0 "[ . 1 . 2]" 3 755 1 139 ILE H 1 139 ILE HB 3.150 . 4.500 3.593 2.722 3.768 . 0 0 "[ . 1 . 2]" 3 756 1 139 ILE H 1 139 ILE HG13 3.150 . 4.500 3.430 3.061 4.503 0.003 16 0 "[ . 1 . 2]" 3 757 1 139 ILE H 1 139 ILE MG 3.150 . 4.500 2.321 1.925 2.533 . 0 0 "[ . 1 . 2]" 3 758 1 139 ILE H 1 139 ILE MD 3.150 . 4.500 3.869 3.588 4.516 0.016 7 0 "[ . 1 . 2]" 3 759 1 33 THR H 1 33 THR HB 2.650 . 3.500 2.534 2.418 2.640 . 0 0 "[ . 1 . 2]" 3 760 1 32 MET HG3 1 33 THR H 3.150 . 4.500 2.963 2.718 4.489 . 0 0 "[ . 1 . 2]" 3 761 1 32 MET HG2 1 33 THR H 2.650 . 3.500 2.886 2.664 3.506 0.006 4 0 "[ . 1 . 2]" 3 762 1 32 MET HB2 1 33 THR H 3.150 . 4.500 4.167 4.080 4.257 . 0 0 "[ . 1 . 2]" 3 763 1 18 ILE H 1 24 LYS H 3.150 . 4.500 3.512 3.133 3.849 . 0 0 "[ . 1 . 2]" 3 764 1 18 ILE H 1 19 ASP H 2.650 . 3.500 2.334 2.030 2.612 . 0 0 "[ . 1 . 2]" 3 765 1 18 ILE H 1 23 VAL HA 2.650 . 3.500 1.899 1.787 2.144 0.013 1 0 "[ . 1 . 2]" 3 766 1 17 ALA HA 1 18 ILE H 2.650 . 3.500 2.186 2.081 2.280 . 0 0 "[ . 1 . 2]" 3 767 1 18 ILE H 1 18 ILE HA 2.650 . 3.500 2.888 2.839 2.931 . 0 0 "[ . 1 . 2]" 3 768 1 18 ILE H 1 23 VAL HB 3.150 . 4.500 3.919 3.647 4.345 . 0 0 "[ . 1 . 2]" 3 769 1 18 ILE H 1 18 ILE HB 2.650 . 3.500 2.487 2.417 2.545 . 0 0 "[ . 1 . 2]" 3 770 1 17 ALA MB 1 18 ILE H 3.150 . 4.500 3.102 2.829 3.373 . 0 0 "[ . 1 . 2]" 3 771 1 18 ILE H 1 18 ILE HG12 3.150 . 4.500 2.695 2.157 3.593 . 0 0 "[ . 1 . 2]" 3 772 1 132 ALA H 1 133 LYS H 2.650 . 3.500 2.642 2.562 2.705 . 0 0 "[ . 1 . 2]" 3 773 1 131 GLN H 1 132 ALA H 2.650 . 2.800 2.646 2.508 2.804 0.004 19 0 "[ . 1 . 2]" 3 774 1 128 SER HA 1 132 ALA H 3.150 . 4.500 4.146 3.922 4.398 . 0 0 "[ . 1 . 2]" 3 775 1 105 ARG HA 1 132 ALA H 3.150 . 4.500 3.802 3.389 4.464 . 0 0 "[ . 1 . 2]" 3 776 1 131 GLN QG 1 132 ALA H 3.150 . 4.500 4.096 3.364 4.407 . 0 0 "[ . 1 . 2]" 3 777 1 131 GLN HB3 1 132 ALA H 2.650 . 3.500 2.442 2.145 3.266 . 0 0 "[ . 1 . 2]" 3 778 1 131 GLN HB2 1 132 ALA H 2.650 . 3.500 3.327 2.408 3.552 0.052 2 0 "[ . 1 . 2]" 3 779 1 132 ALA H 1 132 ALA MB 2.650 . 3.500 2.209 2.176 2.251 . 0 0 "[ . 1 . 2]" 3 780 1 10 GLU H 1 74 VAL H 3.150 . 4.500 2.600 2.379 2.786 . 0 0 "[ . 1 . 2]" 3 781 1 10 GLU H 1 10 GLU HB3 3.150 . 4.500 3.753 3.690 3.902 . 0 0 "[ . 1 . 2]" 3 782 1 10 GLU H 1 10 GLU QG 3.150 . 4.500 2.883 2.649 3.176 . 0 0 "[ . 1 . 2]" 3 783 1 10 GLU H 1 10 GLU HB2 2.650 . 3.500 2.616 2.508 2.821 . 0 0 "[ . 1 . 2]" 3 784 1 9 LYS HB3 1 10 GLU H 3.150 . 4.500 2.943 2.487 3.275 . 0 0 "[ . 1 . 2]" 3 785 1 9 LYS HB2 1 10 GLU H 3.150 . 4.500 4.061 3.763 4.288 . 0 0 "[ . 1 . 2]" 3 786 1 9 LYS HG3 1 10 GLU H 3.150 . 4.500 3.873 3.268 4.609 0.109 11 0 "[ . 1 . 2]" 3 787 1 9 LYS HG2 1 10 GLU H 3.150 . 4.500 4.312 3.379 4.613 0.113 1 0 "[ . 1 . 2]" 3 788 1 111 VAL H 1 129 GLU HB3 3.150 . 4.500 4.481 3.976 4.579 0.079 3 0 "[ . 1 . 2]" 3 789 1 110 LYS QB 1 111 VAL H 3.150 . 4.500 2.666 2.338 3.595 . 0 0 "[ . 1 . 2]" 3 790 1 111 VAL H 1 111 VAL QG 3.150 . 4.500 2.234 2.040 2.435 . 0 0 "[ . 1 . 2]" 3 791 1 73 GLU H 1 73 GLU HA 2.650 . 3.500 2.941 2.918 2.958 . 0 0 "[ . 1 . 2]" 3 792 1 73 GLU H 1 93 TYR HB3 3.150 . 4.500 4.127 3.942 4.336 . 0 0 "[ . 1 . 2]" 3 793 1 73 GLU H 1 93 TYR HB2 3.150 . 4.500 2.922 2.682 3.159 . 0 0 "[ . 1 . 2]" 3 794 1 73 GLU H 1 73 GLU HG3 3.150 . 4.500 2.864 2.534 3.274 . 0 0 "[ . 1 . 2]" 3 795 1 73 GLU H 1 73 GLU HB2 2.650 . 3.500 2.764 2.625 2.932 . 0 0 "[ . 1 . 2]" 3 796 1 72 ILE HG12 1 73 GLU H 3.150 . 4.500 4.413 4.280 4.506 0.006 20 0 "[ . 1 . 2]" 3 797 1 72 ILE MG 1 73 GLU H 3.150 . 4.500 2.692 2.464 2.884 . 0 0 "[ . 1 . 2]" 3 798 1 77 ASP H 1 77 ASP HB3 3.150 . 4.500 2.752 2.614 2.876 . 0 0 "[ . 1 . 2]" 3 799 1 76 PHE HB3 1 77 ASP H 3.150 . 4.500 2.953 2.587 3.265 . 0 0 "[ . 1 . 2]" 3 800 1 76 PHE HB2 1 77 ASP H 3.150 . 4.500 3.995 3.770 4.127 . 0 0 "[ . 1 . 2]" 3 801 1 77 ASP H 1 77 ASP HB2 3.150 . 4.500 2.517 2.300 3.087 . 0 0 "[ . 1 . 2]" 3 802 1 60 ALA H 1 61 PHE H 3.150 . 3.500 2.453 2.245 2.670 . 0 0 "[ . 1 . 2]" 3 803 1 60 ALA H 1 60 ALA HA 2.650 . 3.500 2.852 2.805 2.903 . 0 0 "[ . 1 . 2]" 3 804 1 59 SER QB 1 60 ALA H 3.150 . 4.500 2.551 2.219 3.108 . 0 0 "[ . 1 . 2]" 3 805 1 60 ALA H 1 60 ALA MB 3.150 . 4.500 2.248 2.217 2.291 . 0 0 "[ . 1 . 2]" 3 806 1 91 TYR H 1 91 TYR HB3 3.150 . 4.500 3.595 3.528 3.636 . 0 0 "[ . 1 . 2]" 3 807 1 91 TYR H 1 91 TYR HB2 3.150 . 4.500 2.471 2.267 2.587 . 0 0 "[ . 1 . 2]" 3 808 1 75 GLU HG2 1 91 TYR H 3.650 . 5.500 4.290 4.042 4.548 . 0 0 "[ . 1 . 2]" 3 809 1 75 GLU HB2 1 91 TYR H 3.650 . 5.500 4.458 4.128 4.666 . 0 0 "[ . 1 . 2]" 3 810 1 90 ALA MB 1 91 TYR H 3.150 . 3.500 2.572 2.280 2.753 . 0 0 "[ . 1 . 2]" 3 811 1 104 VAL H 1 105 ARG H 2.650 . 3.500 2.627 2.503 2.765 . 0 0 "[ . 1 . 2]" 3 812 1 105 ARG H 1 106 GLN H 2.650 . 3.500 2.659 2.492 2.767 . 0 0 "[ . 1 . 2]" 3 813 1 105 ARG H 1 105 ARG HA 2.650 . 3.500 2.830 2.783 2.884 . 0 0 "[ . 1 . 2]" 3 814 1 102 ALA HA 1 105 ARG H 2.650 . 3.500 3.492 3.372 3.572 0.072 16 0 "[ . 1 . 2]" 3 815 1 104 VAL HA 1 105 ARG H 3.150 . 4.500 3.543 3.484 3.602 . 0 0 "[ . 1 . 2]" 3 816 1 101 GLU HA 1 105 ARG H 3.150 . 4.500 3.880 3.598 3.960 . 0 0 "[ . 1 . 2]" 3 817 1 13 THR H 1 26 MET H 3.150 . 3.500 2.967 2.761 3.129 . 0 0 "[ . 1 . 2]" 3 818 1 25 LEU HA 1 26 MET H 2.650 . 3.500 2.414 2.363 2.495 . 0 0 "[ . 1 . 2]" 3 819 1 26 MET H 1 26 MET HG3 3.150 . 4.500 4.496 4.420 4.516 0.016 17 0 "[ . 1 . 2]" 3 820 1 26 MET H 1 26 MET HB3 2.650 . 3.500 2.482 2.354 2.600 . 0 0 "[ . 1 . 2]" 3 821 1 15 ILE HG12 1 26 MET H 3.150 . 4.500 3.867 3.644 4.065 . 0 0 "[ . 1 . 2]" 3 822 1 25 LEU MD1 1 26 MET H 3.150 . 4.500 3.219 3.087 3.395 . 0 0 "[ . 1 . 2]" 3 823 1 126 ARG H 1 127 LYS H 2.650 . 3.500 2.737 2.561 2.843 . 0 0 "[ . 1 . 2]" 3 824 1 127 LYS H 1 128 SER H 2.650 . 3.500 2.526 2.453 2.619 . 0 0 "[ . 1 . 2]" 3 825 1 127 LYS H 1 127 LYS HA 2.650 . 3.500 2.841 2.808 2.860 . 0 0 "[ . 1 . 2]" 3 826 1 123 GLN HA 1 127 LYS H 3.150 . 4.500 4.078 3.748 4.467 . 0 0 "[ . 1 . 2]" 3 827 1 126 ARG HB2 1 127 LYS H 2.650 . 3.500 2.957 2.493 3.567 0.067 16 0 "[ . 1 . 2]" 3 828 1 127 LYS H 1 127 LYS HD2 3.150 . 4.500 4.058 3.375 4.558 0.058 16 0 "[ . 1 . 2]" 3 829 1 127 LYS H 1 127 LYS HG3 3.150 . 4.500 3.276 2.100 4.509 0.009 3 0 "[ . 1 . 2]" 3 830 1 127 LYS H 1 127 LYS HG2 3.150 . 4.500 3.516 2.128 4.494 . 0 0 "[ . 1 . 2]" 3 831 1 5 LYS HA 1 6 LYS H 2.650 . 3.500 2.803 2.013 3.525 0.025 7 0 "[ . 1 . 2]" 3 832 1 7 LEU H 1 7 LEU HA 2.650 . 3.500 2.602 2.141 2.923 . 0 0 "[ . 1 . 2]" 3 833 1 6 LYS QG 1 7 LEU H 3.150 . 4.500 3.615 1.781 4.304 0.019 7 0 "[ . 1 . 2]" 3 834 1 7 LEU H 1 7 LEU MD1 3.150 . 4.500 3.560 2.077 4.539 0.039 11 0 "[ . 1 . 2]" 3 835 1 7 LEU H 1 7 LEU MD2 3.150 . 4.500 3.097 1.754 4.590 0.090 16 0 "[ . 1 . 2]" 3 836 1 100 ASN H 1 102 ALA H 3.150 . 4.500 4.221 4.028 4.323 . 0 0 "[ . 1 . 2]" 3 837 1 133 LYS H 1 134 LYS H 2.650 . 3.500 2.731 2.683 2.844 . 0 0 "[ . 1 . 2]" 3 838 1 102 ALA H 1 103 LEU H 2.650 . 3.500 2.760 2.594 2.935 . 0 0 "[ . 1 . 2]" 3 839 1 134 LYS H 1 135 GLU H 3.150 . 4.500 2.589 2.413 2.717 . 0 0 "[ . 1 . 2]" 3 840 1 101 GLU H 1 102 ALA H 2.650 . 3.500 2.546 2.364 2.739 . 0 0 "[ . 1 . 2]" 3 841 1 102 ALA H 1 102 ALA HA 2.650 . 3.500 2.782 2.744 2.820 . 0 0 "[ . 1 . 2]" 3 842 1 99 VAL HA 1 102 ALA H 2.650 . 3.500 3.461 3.258 3.535 0.035 9 0 "[ . 1 . 2]" 3 843 1 101 GLU HA 1 102 ALA H 3.150 . 4.500 3.521 3.448 3.551 . 0 0 "[ . 1 . 2]" 3 844 1 101 GLU HB3 1 102 ALA H 2.650 . 3.500 2.456 2.196 2.720 . 0 0 "[ . 1 . 2]" 3 845 1 102 ALA H 1 102 ALA MB 2.650 . 3.500 2.234 2.208 2.265 . 0 0 "[ . 1 . 2]" 3 846 1 133 LYS HB3 1 134 LYS H 2.650 . 3.500 3.391 3.247 3.531 0.031 3 0 "[ . 1 . 2]" 3 847 1 91 TYR HA 1 92 ILE H 2.650 . 3.500 2.146 2.035 2.219 . 0 0 "[ . 1 . 2]" 3 848 1 91 TYR HB2 1 92 ILE H 3.150 . 4.500 4.182 4.016 4.299 . 0 0 "[ . 1 . 2]" 3 849 1 92 ILE H 1 92 ILE MG 3.150 . 4.500 3.798 3.773 3.832 . 0 0 "[ . 1 . 2]" 3 850 1 123 GLN H 1 124 LEU H 2.650 . 3.500 2.556 2.386 2.734 . 0 0 "[ . 1 . 2]" 3 851 1 121 HIS HA 1 124 LEU H 3.150 . 4.500 3.234 2.829 3.500 . 0 0 "[ . 1 . 2]" 3 852 1 123 GLN HA 1 124 LEU H 2.650 . 3.500 3.441 3.356 3.504 0.004 1 0 "[ . 1 . 2]" 3 853 1 121 HIS HB3 1 124 LEU H 3.150 . 4.500 4.123 3.886 4.389 . 0 0 "[ . 1 . 2]" 3 854 1 124 LEU H 1 124 LEU MD1 3.150 . 4.500 4.122 4.025 4.216 . 0 0 "[ . 1 . 2]" 3 855 1 124 LEU H 1 124 LEU MD2 3.150 . 4.500 4.141 4.033 4.257 . 0 0 "[ . 1 . 2]" 3 856 1 61 PHE H 1 62 THR H 2.650 . 3.500 2.718 2.588 2.813 . 0 0 "[ . 1 . 2]" 3 857 1 61 PHE H 1 63 LYS H 3.150 . 4.500 4.008 3.865 4.180 . 0 0 "[ . 1 . 2]" 3 858 1 61 PHE H 1 61 PHE QD 3.150 . 4.500 4.142 4.071 4.190 . 0 0 "[ . 1 . 2]" 3 859 1 58 ALA HA 1 61 PHE H 3.150 . 4.500 3.517 3.295 3.777 . 0 0 "[ . 1 . 2]" 3 860 1 61 PHE H 1 61 PHE HB3 2.650 . 3.500 2.559 2.425 2.656 . 0 0 "[ . 1 . 2]" 3 861 1 61 PHE H 1 61 PHE HB2 2.650 . 3.500 2.406 2.263 2.529 . 0 0 "[ . 1 . 2]" 3 862 1 60 ALA MB 1 61 PHE H 3.150 . 4.500 2.664 2.545 2.790 . 0 0 "[ . 1 . 2]" 3 863 1 39 VAL HA 1 40 ASP H 2.650 . 3.500 2.218 2.113 2.407 . 0 0 "[ . 1 . 2]" 3 864 1 40 ASP H 1 40 ASP HB3 3.150 . 4.500 2.712 2.381 2.975 . 0 0 "[ . 1 . 2]" 3 865 1 40 ASP H 1 40 ASP HB2 3.150 . 4.500 3.175 2.733 3.400 . 0 0 "[ . 1 . 2]" 3 866 1 39 VAL HB 1 40 ASP H 2.650 . 3.500 2.610 2.191 2.979 . 0 0 "[ . 1 . 2]" 3 867 1 39 VAL MG1 1 40 ASP H 3.150 . 4.500 3.690 3.486 3.894 . 0 0 "[ . 1 . 2]" 3 868 1 71 LYS H 1 71 LYS HA 2.650 . 3.500 2.918 2.895 2.940 . 0 0 "[ . 1 . 2]" 3 869 1 70 LYS HA 1 71 LYS H 2.650 . 3.500 3.495 3.423 3.531 0.031 8 0 "[ . 1 . 2]" 3 870 1 70 LYS HB3 1 71 LYS H 2.650 . 3.500 3.466 3.047 3.557 0.057 14 0 "[ . 1 . 2]" 3 871 1 69 ALA MB 1 71 LYS H 3.150 . 4.500 3.170 2.752 3.456 . 0 0 "[ . 1 . 2]" 3 872 1 71 LYS H 1 71 LYS HG2 3.150 . 4.500 2.524 2.133 3.190 . 0 0 "[ . 1 . 2]" 3 873 1 86 GLY H 1 87 ARG H 2.650 . 3.500 2.382 2.050 2.646 . 0 0 "[ . 1 . 2]" 3 874 1 87 ARG H 1 87 ARG HA 2.650 . 3.500 2.906 2.815 2.959 . 0 0 "[ . 1 . 2]" 3 875 1 86 GLY HA3 1 87 ARG H 3.150 . 4.500 3.387 3.147 3.517 . 0 0 "[ . 1 . 2]" 3 876 1 85 TYR HB2 1 87 ARG H 3.150 . 4.500 3.631 2.861 4.547 0.047 14 0 "[ . 1 . 2]" 3 877 1 87 ARG H 1 87 ARG HB3 3.150 . 4.500 3.640 3.380 3.733 . 0 0 "[ . 1 . 2]" 3 878 1 82 THR H 1 83 ASP H 3.150 . 4.500 4.303 4.226 4.372 . 0 0 "[ . 1 . 2]" 3 879 1 82 THR HA 1 83 ASP H 2.650 . 3.500 2.186 2.062 2.301 . 0 0 "[ . 1 . 2]" 3 880 1 83 ASP H 1 83 ASP HA 2.650 . 3.500 2.856 2.821 2.932 . 0 0 "[ . 1 . 2]" 3 881 1 83 ASP H 1 86 GLY HA2 3.150 . 4.500 4.360 4.097 4.519 0.019 17 0 "[ . 1 . 2]" 3 882 1 83 ASP H 1 89 LEU HG 3.150 . 4.500 2.531 2.323 2.860 . 0 0 "[ . 1 . 2]" 3 883 1 142 GLU H 1 143 ASP H 3.150 . 4.500 3.390 2.151 4.512 0.012 7 0 "[ . 1 . 2]" 3 884 1 143 ASP H 1 143 ASP HA 2.650 . 3.500 2.819 2.220 2.959 . 0 0 "[ . 1 . 2]" 3 885 1 142 GLU HA 1 143 ASP H 2.650 . 3.500 2.700 2.095 3.531 0.031 13 0 "[ . 1 . 2]" 3 886 1 143 ASP H 1 143 ASP HB3 2.650 . 3.500 2.777 2.293 3.542 0.042 5 0 "[ . 1 . 2]" 3 887 1 143 ASP H 1 143 ASP HB2 2.650 . 3.500 2.934 2.388 3.607 0.107 13 0 "[ . 1 . 2]" 3 888 1 142 GLU HB3 1 143 ASP H 3.150 . 4.500 3.732 2.923 4.397 . 0 0 "[ . 1 . 2]" 3 889 1 142 GLU HB2 1 143 ASP H 3.150 . 4.500 3.731 1.968 4.486 . 0 0 "[ . 1 . 2]" 3 890 1 66 VAL H 1 67 GLU H 2.650 . 3.500 2.580 2.491 2.708 . 0 0 "[ . 1 . 2]" 3 891 1 67 GLU H 1 68 ASN H 2.650 . 3.500 2.490 2.386 2.544 . 0 0 "[ . 1 . 2]" 3 892 1 67 GLU H 1 69 ALA H 3.150 . 4.500 3.783 3.584 3.934 . 0 0 "[ . 1 . 2]" 3 893 1 66 VAL HA 1 67 GLU H 3.150 . 4.500 3.515 3.458 3.563 . 0 0 "[ . 1 . 2]" 3 894 1 63 LYS HA 1 67 GLU H 3.150 . 4.500 4.079 3.773 4.288 . 0 0 "[ . 1 . 2]" 3 895 1 67 GLU H 1 67 GLU HG3 2.650 . 3.500 2.419 2.305 2.515 . 0 0 "[ . 1 . 2]" 3 896 1 67 GLU H 1 67 GLU HB3 3.150 . 4.500 3.641 3.610 3.673 . 0 0 "[ . 1 . 2]" 3 897 1 67 GLU H 1 67 GLU HB2 2.650 . 3.500 2.507 2.423 2.555 . 0 0 "[ . 1 . 2]" 3 898 1 66 VAL MG1 1 67 GLU H 3.150 . 4.500 4.146 4.074 4.221 . 0 0 "[ . 1 . 2]" 3 899 1 66 VAL MG2 1 67 GLU H 3.150 . 4.500 2.429 2.261 2.624 . 0 0 "[ . 1 . 2]" 3 900 1 142 GLU H 1 142 GLU HA 2.650 . 3.500 2.833 2.684 2.892 . 0 0 "[ . 1 . 2]" 3 901 1 142 GLU H 1 142 GLU HB3 2.650 . 3.500 3.518 2.967 3.606 0.106 16 0 "[ . 1 . 2]" 3 902 1 142 GLU H 1 142 GLU HB2 2.650 . 3.500 2.479 2.266 3.564 0.064 11 0 "[ . 1 . 2]" 3 903 1 96 GLY H 1 97 LYS H 2.650 . 3.500 2.593 2.338 2.867 . 0 0 "[ . 1 . 2]" 3 904 1 93 TYR HA 1 97 LYS H 3.150 . 4.500 4.274 3.926 4.523 0.023 4 0 "[ . 1 . 2]" 3 905 1 94 ALA HA 1 97 LYS H 3.150 . 4.500 4.497 4.407 4.575 0.075 19 0 "[ . 1 . 2]" 3 906 1 97 LYS H 1 97 LYS HA 2.650 . 3.500 2.905 2.866 2.956 . 0 0 "[ . 1 . 2]" 3 907 1 95 ASP HA 1 97 LYS H 3.150 . 4.500 4.354 4.132 4.493 . 0 0 "[ . 1 . 2]" 3 908 1 96 GLY HA3 1 97 LYS H 2.650 . 3.500 3.226 3.131 3.309 . 0 0 "[ . 1 . 2]" 3 909 1 96 GLY HA2 1 97 LYS H 2.650 . 3.500 3.388 3.266 3.471 . 0 0 "[ . 1 . 2]" 3 910 1 97 LYS H 1 97 LYS HB3 3.150 . 4.500 3.630 3.434 3.814 . 0 0 "[ . 1 . 2]" 3 911 1 68 ASN HA 1 69 ALA H 2.650 . 3.500 3.316 3.240 3.390 . 0 0 "[ . 1 . 2]" 3 912 1 69 ALA H 1 69 ALA HA 2.300 . 2.800 2.810 2.764 2.858 0.058 17 0 "[ . 1 . 2]" 3 913 1 66 VAL HA 1 69 ALA H 3.150 . 4.500 3.207 3.019 3.419 . 0 0 "[ . 1 . 2]" 3 914 1 67 GLU HA 1 69 ALA H 3.150 . 4.500 3.832 3.666 4.020 . 0 0 "[ . 1 . 2]" 3 915 1 65 MET HA 1 69 ALA H 3.150 . 4.500 4.515 4.254 4.570 0.070 7 0 "[ . 1 . 2]" 3 916 1 69 ALA H 1 69 ALA MB 2.650 . 3.500 2.198 2.144 2.240 . 0 0 "[ . 1 . 2]" 3 917 1 81 ARG H 1 82 THR H 2.650 . 3.500 2.170 1.800 2.433 . 13 0 "[ . 1 . 2]" 3 918 1 80 GLN HG3 1 81 ARG H 3.150 . 4.500 4.401 3.020 4.636 0.136 14 0 "[ . 1 . 2]" 3 919 1 80 GLN HB3 1 81 ARG H 3.150 . 4.500 3.067 1.830 3.969 . 0 0 "[ . 1 . 2]" 3 920 1 80 GLN HB2 1 81 ARG H 3.150 . 4.500 3.220 2.377 3.999 . 0 0 "[ . 1 . 2]" 3 921 1 81 ARG H 1 81 ARG HB2 2.650 . 3.500 2.843 2.275 3.223 . 0 0 "[ . 1 . 2]" 3 922 1 81 ARG H 1 81 ARG HG2 3.150 . 4.500 4.414 4.295 4.532 0.032 9 0 "[ . 1 . 2]" 3 923 1 18 ILE HA 1 19 ASP H 3.150 . 4.500 3.529 3.489 3.576 . 0 0 "[ . 1 . 2]" 3 924 1 62 THR H 1 63 LYS H 3.150 . 3.500 2.725 2.619 2.818 . 0 0 "[ . 1 . 2]" 3 925 1 59 SER HA 1 62 THR H 3.150 . 4.500 3.953 3.709 4.469 . 0 0 "[ . 1 . 2]" 3 926 1 62 THR H 1 62 THR HA 2.650 . 3.500 2.766 2.738 2.815 . 0 0 "[ . 1 . 2]" 3 927 1 61 PHE HB3 1 62 THR H 2.650 . 3.500 2.359 2.187 2.548 . 0 0 "[ . 1 . 2]" 3 928 1 61 PHE HB2 1 62 THR H 3.150 . 4.500 3.694 3.486 3.832 . 0 0 "[ . 1 . 2]" 3 929 1 62 THR H 1 62 THR MG 3.150 . 4.500 3.713 3.688 3.760 . 0 0 "[ . 1 . 2]" 3 930 1 122 GLU H 1 123 GLN H 3.150 . 4.500 2.745 2.513 3.118 . 0 0 "[ . 1 . 2]" 3 931 1 121 HIS HA 1 122 GLU H 3.150 . 4.500 3.100 2.967 3.206 . 0 0 "[ . 1 . 2]" 3 932 1 119 ASN HA 1 122 GLU H 3.150 . 4.500 3.306 2.991 3.634 . 0 0 "[ . 1 . 2]" 3 933 1 120 THR HA 1 122 GLU H 3.150 . 4.500 3.962 3.704 4.179 . 0 0 "[ . 1 . 2]" 3 934 1 122 GLU H 1 122 GLU HA 2.650 . 3.500 2.756 2.701 2.789 . 0 0 "[ . 1 . 2]" 3 935 1 122 GLU H 1 122 GLU QG 3.150 . 4.500 3.178 2.236 4.008 . 0 0 "[ . 1 . 2]" 3 936 1 122 GLU H 1 122 GLU HB2 2.650 . 3.500 3.032 2.285 3.596 0.096 16 0 "[ . 1 . 2]" 3 937 1 89 LEU HA 1 90 ALA H 2.650 . 2.800 2.200 2.102 2.315 . 0 0 "[ . 1 . 2]" 3 938 1 89 LEU HB2 1 90 ALA H 3.150 . 4.500 4.400 4.329 4.445 . 0 0 "[ . 1 . 2]" 3 939 1 62 THR HB 1 63 LYS H 3.150 . 4.500 2.329 2.230 2.514 . 0 0 "[ . 1 . 2]" 3 940 1 17 ALA MB 1 63 LYS H 3.150 . 4.500 3.488 3.213 3.743 . 0 0 "[ . 1 . 2]" 3 941 1 63 LYS H 1 63 LYS HG3 3.150 . 4.500 4.401 4.326 4.483 . 0 0 "[ . 1 . 2]" 3 942 1 63 LYS H 1 63 LYS HG2 3.150 . 4.500 4.430 4.397 4.500 . 17 0 "[ . 1 . 2]" 3 943 1 62 THR MG 1 63 LYS H 3.150 . 4.500 3.368 3.147 3.565 . 0 0 "[ . 1 . 2]" 3 944 1 90 ALA H 1 90 ALA MB 3.150 . 4.500 2.642 2.612 2.681 . 0 0 "[ . 1 . 2]" 3 945 1 139 ILE H 1 140 TRP H 2.650 . 3.500 2.523 2.359 2.684 . 0 0 "[ . 1 . 2]" 3 946 1 140 TRP H 1 141 SER H 2.650 . 3.500 2.148 2.015 2.329 . 0 0 "[ . 1 . 2]" 3 947 1 137 LEU H 1 140 TRP H 3.150 . 4.500 4.135 3.978 4.313 . 0 0 "[ . 1 . 2]" 3 948 1 140 TRP H 1 140 TRP HA 2.650 . 3.500 2.925 2.893 2.945 . 0 0 "[ . 1 . 2]" 3 949 1 140 TRP H 1 141 SER QB 3.150 . 4.500 4.104 3.601 4.562 0.062 7 0 "[ . 1 . 2]" 3 950 1 139 ILE HA 1 140 TRP H 2.650 . 3.500 3.309 3.272 3.390 . 0 0 "[ . 1 . 2]" 3 951 1 140 TRP H 1 140 TRP HB2 2.650 . 3.500 2.573 2.495 2.674 . 0 0 "[ . 1 . 2]" 3 952 1 139 ILE HG13 1 140 TRP H 3.150 . 4.500 3.394 2.924 4.643 0.143 7 0 "[ . 1 . 2]" 3 953 1 12 ALA H 1 12 ALA HA 2.650 . 3.500 2.913 2.877 2.937 . 0 0 "[ . 1 . 2]" 3 954 1 11 PRO HB3 1 12 ALA H 3.150 . 4.500 3.838 3.707 3.956 . 0 0 "[ . 1 . 2]" 3 955 1 11 PRO HB2 1 12 ALA H 2.650 . 3.500 3.306 3.103 3.497 . 0 0 "[ . 1 . 2]" 3 956 1 12 ALA H 1 12 ALA MB 3.150 . 4.500 2.572 2.498 2.669 . 0 0 "[ . 1 . 2]" 3 957 1 130 ALA H 1 131 GLN H 2.650 . 2.800 2.668 2.601 2.800 . 0 0 "[ . 1 . 2]" 3 958 1 127 LYS HA 1 130 ALA H 2.650 . 3.500 3.453 3.190 3.557 0.057 16 0 "[ . 1 . 2]" 3 959 1 126 ARG HA 1 130 ALA H 3.150 . 4.500 4.036 3.734 4.521 0.021 16 0 "[ . 1 . 2]" 3 960 1 129 GLU HG3 1 130 ALA H 3.150 . 4.500 4.540 4.514 4.589 0.089 18 0 "[ . 1 . 2]" 3 961 1 129 GLU HB3 1 130 ALA H 2.650 . 3.500 2.395 2.286 2.592 . 0 0 "[ . 1 . 2]" 3 962 1 130 ALA H 1 130 ALA MB 2.650 . 2.800 2.247 2.206 2.272 . 0 0 "[ . 1 . 2]" 3 963 1 29 GLY H 1 30 GLN H 2.650 . 3.500 2.667 2.458 2.798 . 0 0 "[ . 1 . 2]" 3 964 1 30 GLN H 1 30 GLN HA 2.650 . 3.500 2.917 2.892 2.948 . 0 0 "[ . 1 . 2]" 3 965 1 29 GLY HA3 1 30 GLN H 2.650 . 3.500 3.258 3.140 3.378 . 0 0 "[ . 1 . 2]" 3 966 1 29 GLY HA2 1 30 GLN H 2.650 . 3.500 3.387 3.262 3.475 . 0 0 "[ . 1 . 2]" 3 967 1 27 TYR HB3 1 30 GLN H 3.150 . 4.500 4.136 3.850 4.368 . 0 0 "[ . 1 . 2]" 3 968 1 30 GLN H 1 30 GLN QG 2.650 . 3.500 2.281 2.126 2.765 . 0 0 "[ . 1 . 2]" 3 969 1 30 GLN H 1 30 GLN HB3 2.650 . 3.500 3.168 2.907 3.396 . 0 0 "[ . 1 . 2]" 3 970 1 30 GLN H 1 30 GLN HB2 3.150 . 4.500 3.801 3.710 3.874 . 0 0 "[ . 1 . 2]" 3 971 1 28 LYS HB2 1 30 GLN H 3.150 . 4.500 3.818 3.629 4.070 . 0 0 "[ . 1 . 2]" 3 972 1 143 ASP HA 1 144 ASN H 2.650 . 3.500 2.453 2.012 3.520 0.020 1 0 "[ . 1 . 2]" 3 973 1 144 ASN H 1 144 ASN HB3 3.150 . 4.500 3.096 2.416 3.747 . 0 0 "[ . 1 . 2]" 3 974 1 144 ASN H 1 144 ASN HB2 3.150 . 4.500 2.861 2.435 3.831 . 0 0 "[ . 1 . 2]" 3 975 1 145 ALA HA 1 146 ASP H 2.650 . 3.500 2.903 2.125 3.535 0.035 2 0 "[ . 1 . 2]" 3 976 1 146 ASP H 1 146 ASP HB3 3.150 . 4.500 3.043 2.474 4.131 . 0 0 "[ . 1 . 2]" 3 977 1 146 ASP H 1 146 ASP HB2 3.150 . 4.500 3.130 2.380 3.881 . 0 0 "[ . 1 . 2]" 3 978 1 78 LYS H 1 79 GLY H 3.150 . 3.500 2.431 2.251 2.792 . 0 0 "[ . 1 . 2]" 3 979 1 77 ASP HA 1 78 LYS H 2.650 . 3.500 2.790 2.585 2.948 . 0 0 "[ . 1 . 2]" 3 980 1 78 LYS H 1 78 LYS HA 2.650 . 3.500 2.848 2.283 2.953 . 0 0 "[ . 1 . 2]" 3 981 1 77 ASP HB2 1 78 LYS H 3.150 . 4.500 3.659 3.307 3.902 . 0 0 "[ . 1 . 2]" 3 982 1 78 LYS H 1 78 LYS QD 3.150 . 4.500 3.573 1.974 4.363 . 0 0 "[ . 1 . 2]" 3 983 1 7 LEU HA 1 8 HIS H 2.650 . 3.500 2.463 1.992 3.004 . 0 0 "[ . 1 . 2]" 3 984 1 8 HIS H 1 8 HIS HB3 3.150 . 4.500 3.408 2.902 3.629 . 0 0 "[ . 1 . 2]" 3 985 1 8 HIS H 1 8 HIS HB2 3.150 . 4.500 4.003 3.816 4.123 . 0 0 "[ . 1 . 2]" 3 986 1 125 LEU H 1 126 ARG H 2.650 . 3.500 2.624 2.416 2.788 . 0 0 "[ . 1 . 2]" 3 987 1 126 ARG H 1 126 ARG HA 2.650 . 3.500 2.800 2.776 2.833 . 0 0 "[ . 1 . 2]" 3 988 1 138 ASN H 1 138 ASN HB3 3.150 . 4.500 3.315 2.426 3.684 . 0 0 "[ . 1 . 2]" 3 989 1 125 LEU HB2 1 126 ARG H 3.150 . 4.500 2.726 2.594 2.934 . 0 0 "[ . 1 . 2]" 3 990 1 137 LEU HB3 1 138 ASN H 3.150 . 4.500 2.017 1.788 2.285 0.012 5 0 "[ . 1 . 2]" 3 991 1 138 ASN H 1 138 ASN HB2 3.150 . 4.500 3.024 2.626 3.740 . 0 0 "[ . 1 . 2]" 3 992 1 137 LEU HB2 1 138 ASN H 3.150 . 4.500 3.320 3.011 3.666 . 0 0 "[ . 1 . 2]" 3 993 1 125 LEU H 1 125 LEU HB2 2.650 . 3.500 2.460 2.392 2.524 . 0 0 "[ . 1 . 2]" 3 994 1 125 LEU H 1 125 LEU MD1 3.150 . 4.500 3.552 3.428 3.676 . 0 0 "[ . 1 . 2]" 3 995 1 124 LEU MD2 1 125 LEU H 3.150 . 4.500 4.286 3.988 4.481 . 0 0 "[ . 1 . 2]" 3 996 1 131 GLN H 1 133 LYS H 3.150 . 4.500 4.005 3.860 4.174 . 0 0 "[ . 1 . 2]" 3 997 1 128 SER HA 1 131 GLN H 3.150 . 4.500 3.472 3.251 3.762 . 0 0 "[ . 1 . 2]" 3 998 1 127 LYS HA 1 131 GLN H 3.150 . 4.500 4.146 3.878 4.353 . 0 0 "[ . 1 . 2]" 3 999 1 131 GLN H 1 131 GLN HA 2.650 . 3.500 2.809 2.763 2.845 . 0 0 "[ . 1 . 2]" 3 1000 1 130 ALA HA 1 131 GLN H 2.650 . 3.500 3.477 3.445 3.504 0.004 11 0 "[ . 1 . 2]" 3 1001 1 131 GLN H 1 131 GLN QG 3.150 . 4.500 3.681 2.577 3.973 . 0 0 "[ . 1 . 2]" 3 1002 1 131 GLN H 1 131 GLN HB3 2.650 . 3.500 2.812 2.470 3.500 . 0 0 "[ . 1 . 2]" 3 1003 1 131 GLN H 1 131 GLN HB2 2.650 . 3.500 2.216 1.984 2.503 . 0 0 "[ . 1 . 2]" 3 1004 1 130 ALA MB 1 131 GLN H 3.150 . 4.500 2.570 2.352 2.709 . 0 0 "[ . 1 . 2]" 3 1005 1 128 SER H 1 128 SER HA 2.650 . 3.500 2.801 2.757 2.879 . 0 0 "[ . 1 . 2]" 3 1006 1 127 LYS HA 1 128 SER H 2.650 . 3.500 3.451 3.389 3.530 0.030 2 0 "[ . 1 . 2]" 3 1007 1 125 LEU HA 1 128 SER H 2.650 . 3.500 3.362 3.201 3.535 0.035 5 0 "[ . 1 . 2]" 3 1008 1 128 SER H 1 128 SER HB2 2.650 . 3.500 2.388 2.297 2.531 . 0 0 "[ . 1 . 2]" 3 1009 1 127 LYS QB 1 128 SER H 2.650 . 3.500 3.089 2.132 3.586 0.086 13 0 "[ . 1 . 2]" 3 1010 1 127 LYS HG3 1 128 SER H 3.150 . 4.500 3.260 2.142 4.575 0.075 3 0 "[ . 1 . 2]" 3 1011 1 127 LYS HG2 1 128 SER H 3.150 . 4.500 3.583 2.263 4.588 0.088 4 0 "[ . 1 . 2]" 3 1012 1 22 THR HA 1 23 VAL H 2.650 . 2.800 2.168 2.080 2.253 . 0 0 "[ . 1 . 2]" 3 1013 1 23 VAL H 1 33 THR HA 3.150 . 4.500 4.499 4.327 4.528 0.028 16 0 "[ . 1 . 2]" 3 1014 1 22 THR HB 1 23 VAL H 3.150 . 4.500 4.121 3.979 4.212 . 0 0 "[ . 1 . 2]" 3 1015 1 23 VAL H 1 23 VAL HB 3.150 . 4.500 3.882 3.847 3.919 . 0 0 "[ . 1 . 2]" 3 1016 1 23 VAL H 1 23 VAL MG2 3.150 . 4.500 2.335 2.292 2.409 . 0 0 "[ . 1 . 2]" 3 1017 1 73 GLU HA 1 74 VAL H 2.650 . 2.800 2.181 2.145 2.217 . 0 0 "[ . 1 . 2]" 3 1018 1 11 PRO HA 1 74 VAL H 3.150 . 4.500 3.975 3.669 4.108 . 0 0 "[ . 1 . 2]" 3 1019 1 9 LYS HA 1 74 VAL H 3.150 . 4.500 3.948 3.646 4.086 . 0 0 "[ . 1 . 2]" 3 1020 1 73 GLU HB2 1 74 VAL H 3.150 . 4.500 3.874 3.778 3.984 . 0 0 "[ . 1 . 2]" 3 1021 1 74 VAL H 1 74 VAL MG1 3.150 . 4.500 2.754 2.639 2.844 . 0 0 "[ . 1 . 2]" 3 1022 1 123 GLN H 1 123 GLN HA 2.650 . 3.500 2.820 2.781 2.862 . 0 0 "[ . 1 . 2]" 3 1023 1 123 GLN H 1 123 GLN HG3 2.650 . 3.500 2.621 1.821 3.544 0.044 10 0 "[ . 1 . 2]" 3 1024 1 123 GLN H 1 123 GLN HG2 3.150 . 4.500 2.627 1.861 3.420 . 0 0 "[ . 1 . 2]" 3 1025 1 122 GLU HB3 1 123 GLN H 3.150 . 4.500 3.113 2.055 4.100 . 0 0 "[ . 1 . 2]" 3 1026 1 123 GLN H 1 123 GLN QB 2.650 . 3.500 2.548 2.390 2.976 . 0 0 "[ . 1 . 2]" 3 1027 1 122 GLU HB2 1 123 GLN H 3.150 . 4.500 3.761 3.557 3.967 . 0 0 "[ . 1 . 2]" 3 1028 1 118 ASN HA 1 119 ASN H 2.650 . 3.500 2.238 2.116 2.590 . 0 0 "[ . 1 . 2]" 3 1029 1 119 ASN H 1 119 ASN HB2 3.150 . 4.500 3.967 3.176 4.119 . 0 0 "[ . 1 . 2]" 3 1030 1 40 ASP H 1 110 LYS H 3.150 . 4.500 2.861 2.604 3.139 . 0 0 "[ . 1 . 2]" 3 1031 1 109 ALA HA 1 110 LYS H . . 2.800 2.285 2.214 2.448 . 0 0 "[ . 1 . 2]" 3 1032 1 110 LYS H 1 110 LYS QB 3.150 . 4.500 2.504 2.363 2.640 . 0 0 "[ . 1 . 2]" 3 1033 1 110 LYS H 1 110 LYS HG3 3.150 . 4.500 2.980 2.381 4.577 0.077 3 0 "[ . 1 . 2]" 3 1034 1 133 LYS H 1 135 GLU H 3.150 . 4.500 4.086 3.921 4.250 . 0 0 "[ . 1 . 2]" 3 1035 1 130 ALA HA 1 133 LYS H 2.650 . 3.500 3.434 3.247 3.519 0.019 19 0 "[ . 1 . 2]" 3 1036 1 133 LYS H 1 133 LYS HA 2.650 . 3.500 2.790 2.765 2.810 . 0 0 "[ . 1 . 2]" 3 1037 1 132 ALA MB 1 133 LYS H 3.150 . 4.500 2.609 2.521 2.693 . 0 0 "[ . 1 . 2]" 3 1038 1 133 LYS H 1 133 LYS HB3 2.650 . 3.500 3.530 3.515 3.543 0.043 18 0 "[ . 1 . 2]" 3 1039 1 133 LYS H 1 133 LYS HB2 2.650 . 3.500 2.326 2.262 2.444 . 0 0 "[ . 1 . 2]" 3 1040 1 133 LYS H 1 133 LYS HG3 3.150 . 4.500 2.461 2.222 2.549 . 0 0 "[ . 1 . 2]" 3 1041 1 133 LYS H 1 133 LYS HG2 3.150 . 4.500 3.651 3.351 3.781 . 0 0 "[ . 1 . 2]" 3 1042 1 64 LYS H 1 65 MET H 2.650 . 3.500 2.815 2.719 2.932 . 0 0 "[ . 1 . 2]" 3 1043 1 64 LYS H 1 64 LYS HA 2.650 . 3.500 2.780 2.750 2.815 . 0 0 "[ . 1 . 2]" 3 1044 1 63 LYS HA 1 64 LYS H 3.150 . 4.500 3.539 3.503 3.577 . 0 0 "[ . 1 . 2]" 3 1045 1 64 LYS H 1 64 LYS QD 3.150 . 4.500 3.937 2.946 4.538 0.038 3 0 "[ . 1 . 2]" 3 1046 1 63 LYS HG2 1 64 LYS H 2.650 . 3.500 3.497 3.178 3.577 0.077 7 0 "[ . 1 . 2]" 3 1047 1 136 LYS H 1 137 LEU H 3.150 . 3.500 2.797 2.682 2.852 . 0 0 "[ . 1 . 2]" 3 1048 1 137 LEU H 1 137 LEU HA 2.650 . 3.500 2.855 2.822 2.875 . 0 0 "[ . 1 . 2]" 3 1049 1 137 LEU H 1 140 TRP HB3 3.150 . 4.500 3.971 3.787 4.095 . 0 0 "[ . 1 . 2]" 3 1050 1 136 LYS HA 1 137 LEU H 2.650 . 3.500 2.514 2.404 2.629 . 0 0 "[ . 1 . 2]" 3 1051 1 137 LEU H 1 140 TRP HB2 3.150 . 4.500 2.538 2.442 2.640 . 0 0 "[ . 1 . 2]" 3 1052 1 136 LYS HB2 1 137 LEU H 3.150 . 4.500 4.372 4.308 4.431 . 0 0 "[ . 1 . 2]" 3 1053 1 137 LEU H 1 137 LEU HG 3.150 . 4.500 3.008 2.149 4.117 . 0 0 "[ . 1 . 2]" 3 1054 1 137 LEU H 1 137 LEU HB3 3.150 . 4.500 3.591 3.535 3.650 . 0 0 "[ . 1 . 2]" 3 1055 1 136 LYS QG 1 137 LEU H 3.150 . 4.500 4.474 4.312 4.585 0.085 2 0 "[ . 1 . 2]" 3 1056 1 137 LEU H 1 137 LEU HB2 2.650 . 3.500 2.369 2.238 2.480 . 0 0 "[ . 1 . 2]" 3 1057 1 137 LEU H 1 137 LEU MD2 3.150 . 4.500 3.060 2.114 3.866 . 0 0 "[ . 1 . 2]" 3 1058 1 135 GLU H 1 136 LYS H 2.650 . 3.500 2.311 2.177 2.470 . 0 0 "[ . 1 . 2]" 3 1059 1 133 LYS HA 1 136 LYS H 3.150 . 4.500 3.610 3.413 3.886 . 0 0 "[ . 1 . 2]" 3 1060 1 136 LYS H 1 140 TRP HB2 3.150 . 4.500 3.899 3.667 4.110 . 0 0 "[ . 1 . 2]" 3 1061 1 136 LYS H 1 136 LYS HB2 3.150 . 4.500 3.623 3.456 3.790 . 0 0 "[ . 1 . 2]" 3 1062 1 136 LYS H 1 136 LYS QG 2.650 . 3.500 2.798 2.585 3.379 . 0 0 "[ . 1 . 2]" 3 1063 1 65 MET H 1 66 VAL H 2.650 . 3.500 2.630 2.523 2.731 . 0 0 "[ . 1 . 2]" 3 1064 1 65 MET H 1 65 MET HG2 2.650 . 3.500 2.294 2.190 2.428 . 0 0 "[ . 1 . 2]" 3 1065 1 135 GLU H 1 135 GLU HG2 2.650 . 3.500 3.329 2.314 3.549 0.049 2 0 "[ . 1 . 2]" 3 1066 1 134 LYS HG3 1 135 GLU H 3.150 . 4.500 2.861 2.446 3.374 . 0 0 "[ . 1 . 2]" 3 1067 1 65 MET H 1 66 VAL MG1 3.150 . 4.500 4.351 4.203 4.509 0.009 7 0 "[ . 1 . 2]" 3 1068 1 103 LEU H 1 104 VAL H 2.650 . 3.500 2.760 2.658 2.856 . 0 0 "[ . 1 . 2]" 3 1069 1 140 TRP HA 1 141 SER H 3.150 . 4.500 3.258 3.035 3.381 . 0 0 "[ . 1 . 2]" 3 1070 1 141 SER H 1 141 SER HA 2.650 . 3.500 2.842 2.762 2.895 . 0 0 "[ . 1 . 2]" 3 1071 1 141 SER H 1 141 SER QB 2.650 . 3.500 2.466 2.182 2.727 . 0 0 "[ . 1 . 2]" 3 1072 1 139 ILE HA 1 141 SER H 3.150 . 4.500 3.747 3.571 3.995 . 0 0 "[ . 1 . 2]" 3 1073 1 103 LEU H 1 103 LEU HA 2.650 . 3.500 2.793 2.761 2.812 . 0 0 "[ . 1 . 2]" 3 1074 1 140 TRP HB2 1 141 SER H 3.150 . 4.500 3.470 3.119 3.715 . 0 0 "[ . 1 . 2]" 3 1075 1 103 LEU H 1 103 LEU HG 2.650 . 3.500 2.263 2.069 3.593 0.093 9 0 "[ . 1 . 2]" 3 1076 1 104 VAL H 1 104 VAL HA . . 2.800 2.820 2.811 2.837 0.037 8 0 "[ . 1 . 2]" 3 1077 1 101 GLU HA 1 104 VAL H 3.150 . 4.500 3.615 3.268 3.804 . 0 0 "[ . 1 . 2]" 3 1078 1 103 LEU HA 1 104 VAL H 3.150 . 4.500 3.517 3.431 3.548 . 0 0 "[ . 1 . 2]" 3 1079 1 104 VAL H 1 104 VAL HB 2.650 . 2.800 2.579 2.496 2.656 . 0 0 "[ . 1 . 2]" 3 1080 1 103 LEU HB3 1 104 VAL H 3.150 . 4.500 3.468 2.951 3.623 . 0 0 "[ . 1 . 2]" 3 1081 1 103 LEU HG 1 104 VAL H 3.150 . 4.500 4.142 4.033 4.631 0.131 9 0 "[ . 1 . 2]" 3 1082 1 103 LEU MD1 1 104 VAL H 3.150 . 4.500 4.312 3.897 4.503 0.003 6 0 "[ . 1 . 2]" 3 1083 1 103 LEU MD2 1 104 VAL H 3.150 . 4.500 4.484 4.321 4.508 0.008 3 0 "[ . 1 . 2]" 3 1084 1 107 GLY H 1 108 LEU H 3.150 . 4.500 2.643 2.554 2.786 . 0 0 "[ . 1 . 2]" 3 1085 1 106 GLN H 1 108 LEU H 3.150 . 4.500 3.839 3.595 4.025 . 0 0 "[ . 1 . 2]" 3 1086 1 108 LEU H 1 109 ALA H 2.650 . 3.500 1.891 1.796 2.100 0.004 16 0 "[ . 1 . 2]" 3 1087 1 107 GLY HA2 1 108 LEU H 3.150 . 4.500 2.748 2.579 3.005 . 0 0 "[ . 1 . 2]" 3 1088 1 104 VAL HA 1 108 LEU H 3.150 . 4.500 3.290 3.048 3.540 . 0 0 "[ . 1 . 2]" 3 1089 1 106 GLN HB3 1 108 LEU H 3.150 . 4.500 3.766 3.496 3.991 . 0 0 "[ . 1 . 2]" 3 1090 1 103 LEU HB3 1 108 LEU H 3.150 . 4.500 4.205 3.941 4.436 . 0 0 "[ . 1 . 2]" 3 1091 1 16 LYS H 1 25 LEU HA 3.150 . 4.500 3.554 3.355 3.752 . 0 0 "[ . 1 . 2]" 3 1092 1 16 LYS H 1 24 LYS HB3 3.150 . 4.500 2.942 2.782 3.056 . 0 0 "[ . 1 . 2]" 3 1093 1 16 LYS H 1 16 LYS HB3 3.150 . 4.500 3.717 2.753 3.918 . 0 0 "[ . 1 . 2]" 3 1094 1 16 LYS H 1 24 LYS HB2 3.150 . 4.500 4.527 4.406 4.576 0.076 3 0 "[ . 1 . 2]" 3 1095 1 15 ILE MG 1 16 LYS H 3.150 . 4.500 3.118 2.980 3.278 . 0 0 "[ . 1 . 2]" 3 1096 1 68 ASN H 1 68 ASN HA 2.650 . 3.500 2.895 2.878 2.920 . 0 0 "[ . 1 . 2]" 3 1097 1 67 GLU HA 1 68 ASN H 3.150 . 4.500 3.454 3.404 3.496 . 0 0 "[ . 1 . 2]" 3 1098 1 65 MET HA 1 68 ASN H 3.150 . 4.500 3.618 3.352 3.997 . 0 0 "[ . 1 . 2]" 3 1099 1 67 GLU HG3 1 68 ASN H 3.150 . 4.500 4.384 4.236 4.498 . 0 0 "[ . 1 . 2]" 3 1100 1 67 GLU HB3 1 68 ASN H 3.150 . 4.500 3.797 3.639 3.948 . 0 0 "[ . 1 . 2]" 3 1101 1 67 GLU HB2 1 68 ASN H 2.650 . 3.500 2.853 2.635 3.085 . 0 0 "[ . 1 . 2]" 3 1102 1 68 ASN H 1 69 ALA MB 3.150 . 4.500 3.946 3.843 4.041 . 0 0 "[ . 1 . 2]" 3 1103 1 121 HIS H 1 121 HIS HA 2.650 . 3.500 2.941 2.920 2.961 . 0 0 "[ . 1 . 2]" 3 1104 1 120 THR HA 1 121 HIS H 2.650 . 3.500 3.482 3.347 3.534 0.034 12 0 "[ . 1 . 2]" 3 1105 1 120 THR HB 1 121 HIS H 2.650 . 3.500 2.995 2.683 3.343 . 0 0 "[ . 1 . 2]" 3 1106 1 121 HIS H 1 121 HIS HB3 3.150 . 4.500 3.794 3.706 3.861 . 0 0 "[ . 1 . 2]" 3 1107 1 121 HIS H 1 121 HIS HB2 2.650 . 3.500 2.666 2.515 2.752 . 0 0 "[ . 1 . 2]" 3 1108 1 120 THR MG 1 121 HIS H 3.150 . 4.500 3.870 3.517 4.117 . 0 0 "[ . 1 . 2]" 3 1109 1 19 ASP H 1 22 THR H 3.150 . 4.500 3.328 3.045 3.653 . 0 0 "[ . 1 . 2]" 3 1110 1 22 THR H 1 22 THR HB 3.150 . 3.500 2.721 2.526 3.018 . 0 0 "[ . 1 . 2]" 3 1111 1 107 GLY H 1 109 ALA H 3.150 . 4.500 3.915 3.780 4.051 . 0 0 "[ . 1 . 2]" 3 1112 1 104 VAL HA 1 109 ALA H 2.650 . 3.500 2.542 2.431 2.659 . 0 0 "[ . 1 . 2]" 3 1113 1 103 LEU HA 1 109 ALA H 3.150 . 4.500 4.356 4.039 4.526 0.026 19 0 "[ . 1 . 2]" 3 1114 1 103 LEU HB3 1 109 ALA H 3.150 . 4.500 3.670 3.044 3.960 . 0 0 "[ . 1 . 2]" 3 1115 1 108 LEU HB3 1 109 ALA H 3.150 . 4.500 4.097 3.823 4.289 . 0 0 "[ . 1 . 2]" 3 1116 1 108 LEU HB2 1 109 ALA H 3.150 . 4.500 3.307 2.761 3.703 . 0 0 "[ . 1 . 2]" 3 1117 1 109 ALA H 1 109 ALA MB 3.150 . 4.500 2.553 2.425 2.723 . 0 0 "[ . 1 . 2]" 3 1118 1 100 ASN H 1 101 GLU H 3.150 . 4.500 2.804 2.646 2.986 . 0 0 "[ . 1 . 2]" 3 1119 1 100 ASN HA 1 101 GLU H 3.150 . 4.500 3.539 3.482 3.583 . 0 0 "[ . 1 . 2]" 3 1120 1 101 GLU H 1 101 GLU HA 2.650 . 3.500 2.829 2.797 2.863 . 0 0 "[ . 1 . 2]" 3 1121 1 100 ASN HB3 1 101 GLU H 3.150 . 4.500 3.685 2.264 4.376 . 0 0 "[ . 1 . 2]" 3 1122 1 100 ASN HB2 1 101 GLU H 3.150 . 4.500 2.836 2.340 3.905 . 0 0 "[ . 1 . 2]" 3 1123 1 101 GLU H 1 101 GLU HG3 3.150 . 4.500 4.479 4.416 4.544 0.044 9 0 "[ . 1 . 2]" 3 1124 1 101 GLU H 1 101 GLU HB3 2.650 . 3.500 2.547 2.386 2.700 . 0 0 "[ . 1 . 2]" 3 1125 1 98 MET QB 1 101 GLU H 2.650 . 3.500 2.939 2.022 3.379 . 0 0 "[ . 1 . 2]" 3 1126 1 101 GLU H 1 101 GLU HB2 2.650 . 3.500 2.520 2.382 2.643 . 0 0 "[ . 1 . 2]" 3 1127 1 101 GLU H 1 125 LEU MD2 3.150 . 4.500 3.213 2.964 3.636 . 0 0 "[ . 1 . 2]" 3 1128 1 59 SER H 1 59 SER QB 3.150 . 4.500 2.452 2.221 2.639 . 0 0 "[ . 1 . 2]" 3 1129 1 106 GLN H 1 107 GLY H 2.650 . 3.500 2.352 2.104 2.470 . 0 0 "[ . 1 . 2]" 3 1130 1 106 GLN H 1 106 GLN HA 2.650 . 3.500 2.899 2.862 2.926 . 0 0 "[ . 1 . 2]" 3 1131 1 105 ARG HA 1 106 GLN H 3.150 . 4.500 3.473 3.216 3.555 . 0 0 "[ . 1 . 2]" 3 1132 1 102 ALA HA 1 106 GLN H 3.150 . 4.500 3.824 3.441 4.195 . 0 0 "[ . 1 . 2]" 3 1133 1 106 GLN H 1 106 GLN HG3 3.150 . 4.500 4.437 4.405 4.473 . 0 0 "[ . 1 . 2]" 3 1134 1 106 GLN H 1 106 GLN HG2 3.650 . 5.500 4.681 4.548 4.798 . 0 0 "[ . 1 . 2]" 3 1135 1 106 GLN H 1 106 GLN HB2 2.650 . 2.800 2.636 2.358 2.823 0.023 12 0 "[ . 1 . 2]" 3 1136 1 20 GLY HA2 1 21 ASP H 3.150 . 4.500 3.501 3.325 3.585 . 0 0 "[ . 1 . 2]" 3 1137 1 147 SER HB2 1 148 GLY H 3.150 . 4.500 3.844 2.100 4.536 0.036 16 0 "[ . 1 . 2]" 3 1138 1 79 GLY H 1 80 GLN H 3.150 . 4.500 3.528 2.411 4.014 . 0 0 "[ . 1 . 2]" 3 1139 1 79 GLY H 1 79 GLY HA3 2.650 . 3.500 2.435 2.320 2.942 . 0 0 "[ . 1 . 2]" 3 1140 1 78 LYS HA 1 79 GLY H 2.650 . 3.500 3.289 3.038 3.442 . 0 0 "[ . 1 . 2]" 3 1141 1 77 ASP HB3 1 79 GLY H 3.150 . 4.500 2.816 2.480 4.518 0.018 13 0 "[ . 1 . 2]" 3 1142 1 79 GLY H 1 118 ASN HA 3.150 . 4.500 3.436 3.004 4.573 0.073 9 0 "[ . 1 . 2]" 3 1143 1 79 GLY H 1 79 GLY HA2 2.650 . 3.500 2.873 2.409 2.944 . 0 0 "[ . 1 . 2]" 3 1144 1 77 ASP HB2 1 79 GLY H 3.150 . 4.500 4.376 4.159 4.897 0.397 9 0 "[ . 1 . 2]" 3 1145 1 79 GLY H 1 117 PRO HG2 3.150 . 4.500 4.165 3.196 4.526 0.026 20 0 "[ . 1 . 2]" 3 1146 1 99 VAL H 1 100 ASN H 3.150 . 4.500 2.623 2.419 2.808 . 0 0 "[ . 1 . 2]" 3 1147 1 92 ILE H 1 100 ASN H 3.150 . 4.500 3.718 3.440 4.320 . 0 0 "[ . 1 . 2]" 3 1148 1 100 ASN H 1 100 ASN HA 2.650 . 2.800 2.779 2.736 2.812 0.012 17 0 "[ . 1 . 2]" 3 1149 1 100 ASN H 1 100 ASN HB3 3.150 . 4.500 3.384 2.548 3.673 . 0 0 "[ . 1 . 2]" 3 1150 1 100 ASN H 1 100 ASN HB2 3.150 . 4.500 2.827 2.244 3.643 . 0 0 "[ . 1 . 2]" 3 1151 1 98 MET QG 1 100 ASN H 3.150 . 4.500 3.266 2.325 4.536 0.036 6 0 "[ . 1 . 2]" 3 1152 1 99 VAL HB 1 100 ASN H 2.650 . 3.500 2.433 2.118 2.738 . 0 0 "[ . 1 . 2]" 3 1153 1 34 PHE HA 1 88 GLY H 3.150 . 4.500 2.145 1.944 2.498 . 0 0 "[ . 1 . 2]" 3 1154 1 88 GLY H 1 88 GLY HA2 2.650 . 3.500 2.859 2.821 2.922 . 0 0 "[ . 1 . 2]" 3 1155 1 32 MET HG2 1 88 GLY H 3.150 . 4.500 3.302 2.734 4.590 0.090 4 0 "[ . 1 . 2]" 3 1156 1 87 ARG HB2 1 88 GLY H 3.150 . 4.500 4.031 3.594 4.420 . 0 0 "[ . 1 . 2]" 3 1157 1 13 THR H 1 13 THR HA 2.650 . 3.500 2.918 2.887 2.946 . 0 0 "[ . 1 . 2]" 3 1158 1 13 THR H 1 13 THR HB 2.650 . 3.500 2.812 2.689 2.894 . 0 0 "[ . 1 . 2]" 3 1159 1 13 THR H 1 26 MET HB3 3.150 . 4.500 3.017 2.737 3.376 . 0 0 "[ . 1 . 2]" 3 1160 1 12 ALA MB 1 13 THR H 2.650 . 3.500 2.304 2.200 2.539 . 0 0 "[ . 1 . 2]" 3 1161 1 85 TYR HA 1 86 GLY H 3.150 . 4.500 3.221 3.035 3.444 . 0 0 "[ . 1 . 2]" 3 1162 1 86 GLY H 1 86 GLY HA3 2.650 . 3.500 2.899 2.854 2.959 . 0 0 "[ . 1 . 2]" 3 1163 1 86 GLY H 1 86 GLY HA2 2.650 . 3.500 2.330 2.282 2.477 . 0 0 "[ . 1 . 2]" 3 1164 1 85 TYR HB3 1 86 GLY H 3.150 . 4.500 4.208 3.392 4.478 . 0 0 "[ . 1 . 2]" 3 1165 1 85 TYR HB2 1 86 GLY H 3.150 . 4.500 3.701 3.150 4.107 . 0 0 "[ . 1 . 2]" 3 1166 1 66 VAL H 1 66 VAL HA 2.650 . 3.500 2.863 2.834 2.887 . 0 0 "[ . 1 . 2]" 3 1167 1 65 MET HA 1 66 VAL H 2.650 . 3.500 3.478 3.409 3.508 0.008 5 0 "[ . 1 . 2]" 3 1168 1 65 MET HG3 1 66 VAL H 3.150 . 4.500 3.027 2.480 4.632 0.132 11 0 "[ . 1 . 2]" 3 1169 1 65 MET HG2 1 66 VAL H 3.150 . 4.500 3.155 2.665 4.195 . 0 0 "[ . 1 . 2]" 3 1170 1 65 MET QB 1 66 VAL H 2.650 . 3.500 3.299 2.252 3.586 0.086 3 0 "[ . 1 . 2]" 3 1171 1 66 VAL H 1 66 VAL MG1 2.650 . 3.500 2.455 2.365 2.542 . 0 0 "[ . 1 . 2]" 3 1172 1 66 VAL H 1 66 VAL MG2 3.150 . 4.500 2.118 2.025 2.236 . 0 0 "[ . 1 . 2]" 3 1173 1 106 GLN HA 1 107 GLY H 2.650 . 3.500 3.220 3.143 3.294 . 0 0 "[ . 1 . 2]" 3 1174 1 107 GLY H 1 107 GLY HA3 2.650 . 3.500 2.834 2.801 2.860 . 0 0 "[ . 1 . 2]" 3 1175 1 107 GLY H 1 107 GLY HA2 2.650 . 3.500 2.283 2.254 2.333 . 0 0 "[ . 1 . 2]" 3 1176 1 104 VAL HA 1 107 GLY H 3.150 . 4.500 3.590 3.412 3.755 . 0 0 "[ . 1 . 2]" 3 1177 1 106 GLN HG3 1 107 GLY H 3.150 . 4.500 4.539 4.507 4.575 0.075 18 0 "[ . 1 . 2]" 3 1178 1 107 GLY H 1 132 ALA MB 3.150 . 4.500 2.723 2.511 2.950 . 0 0 "[ . 1 . 2]" 3 1179 1 106 GLN HB3 1 107 GLY H 3.150 . 4.500 3.503 3.363 3.633 . 0 0 "[ . 1 . 2]" 3 1180 1 106 GLN HB2 1 107 GLY H 3.150 . 4.500 4.253 4.101 4.359 . 0 0 "[ . 1 . 2]" 3 1181 1 82 THR H 1 82 THR HA 2.650 . 3.500 2.904 2.881 2.929 . 0 0 "[ . 1 . 2]" 3 1182 1 81 ARG HA 1 82 THR H 3.150 . 4.500 3.464 3.384 3.524 . 0 0 "[ . 1 . 2]" 3 1183 1 80 GLN HA 1 82 THR H 3.150 . 4.500 3.945 3.633 4.485 . 0 0 "[ . 1 . 2]" 3 1184 1 82 THR H 1 82 THR HB 3.150 . 4.500 3.762 3.676 3.833 . 0 0 "[ . 1 . 2]" 3 1185 1 80 GLN HG3 1 82 THR H 3.650 . 5.500 4.688 2.586 5.509 0.009 13 0 "[ . 1 . 2]" 3 1186 1 80 GLN HB3 1 82 THR H 3.150 . 4.500 3.424 2.375 4.535 0.035 2 0 "[ . 1 . 2]" 3 1187 1 80 GLN HB2 1 82 THR H 3.150 . 4.500 3.391 2.630 4.276 . 0 0 "[ . 1 . 2]" 3 1188 1 81 ARG HB2 1 82 THR H 3.150 . 4.500 4.114 3.452 4.282 . 0 0 "[ . 1 . 2]" 3 1189 1 38 LEU HA 1 39 VAL H 3.150 . 4.500 3.393 3.187 3.489 . 0 0 "[ . 1 . 2]" 3 1190 1 39 VAL H 1 39 VAL MG1 3.150 . 4.500 2.878 2.528 3.118 . 0 0 "[ . 1 . 2]" 3 1191 1 39 VAL H 1 39 VAL MG2 3.150 . 3.500 2.266 2.141 2.382 . 0 0 "[ . 1 . 2]" 3 1192 1 19 ASP HA 1 20 GLY H 2.650 . 3.500 2.837 1.993 3.033 . 0 0 "[ . 1 . 2]" 3 1193 1 20 GLY H 1 20 GLY HA2 2.650 . 3.500 2.798 2.270 2.912 . 0 0 "[ . 1 . 2]" 3 1194 1 19 ASP HB3 1 20 GLY H 3.150 . 4.500 2.778 1.781 4.421 0.019 13 0 "[ . 1 . 2]" 3 1195 1 19 ASP HB2 1 20 GLY H 3.150 . 4.500 3.388 1.776 3.946 0.024 8 0 "[ . 1 . 2]" 3 1196 1 94 ALA HA 1 96 GLY H 3.150 . 4.500 3.781 3.479 4.516 0.016 18 0 "[ . 1 . 2]" 3 1197 1 95 ASP HA 1 96 GLY H 2.650 . 3.500 2.781 2.306 3.000 . 0 0 "[ . 1 . 2]" 3 1198 1 96 GLY H 1 96 GLY HA3 2.650 . 3.500 2.919 2.846 2.931 . 0 0 "[ . 1 . 2]" 3 1199 1 96 GLY H 1 96 GLY HA2 2.650 . 3.500 2.365 2.287 2.388 . 0 0 "[ . 1 . 2]" 3 1200 1 95 ASP HB3 1 96 GLY H 3.150 . 4.500 4.145 3.906 4.530 0.030 12 0 "[ . 1 . 2]" 3 1201 1 93 TYR HB3 1 96 GLY H 3.150 . 4.500 2.807 2.529 3.201 . 0 0 "[ . 1 . 2]" 3 1202 1 95 ASP HB2 1 96 GLY H 3.150 . 4.500 4.424 4.306 4.527 0.027 18 0 "[ . 1 . 2]" 3 1203 1 93 TYR HB2 1 96 GLY H 3.150 . 4.500 3.832 3.487 4.447 . 0 0 "[ . 1 . 2]" 3 1204 1 27 TYR HA 1 29 GLY H 3.150 . 4.500 3.929 3.671 4.159 . 0 0 "[ . 1 . 2]" 3 1205 1 26 MET HG3 1 29 GLY H 3.150 . 4.500 3.590 3.052 3.877 . 0 0 "[ . 1 . 2]" 3 1206 1 26 MET HG2 1 29 GLY H 3.150 . 4.500 2.438 2.014 2.959 . 0 0 "[ . 1 . 2]" 3 1207 1 28 LYS HB3 1 29 GLY H 3.150 . 4.500 4.415 4.377 4.444 . 0 0 "[ . 1 . 2]" 3 1208 1 28 LYS HB2 1 29 GLY H 3.150 . 4.500 4.167 4.112 4.212 . 0 0 "[ . 1 . 2]" 3 1209 1 93 TYR HA 1 99 VAL H 3.150 . 3.500 2.613 2.215 2.923 . 0 0 "[ . 1 . 2]" 3 1210 1 98 MET HA 1 99 VAL H 2.650 . 3.500 2.073 2.000 2.206 . 0 0 "[ . 1 . 2]" 3 1211 1 99 VAL H 1 99 VAL HA 2.650 . 3.500 2.807 2.763 2.833 . 0 0 "[ . 1 . 2]" 3 1212 1 98 MET QB 1 99 VAL H 3.150 . 4.500 3.676 3.270 3.970 . 0 0 "[ . 1 . 2]" 3 1213 1 99 VAL H 1 99 VAL HB 2.650 . 3.500 2.574 2.525 2.663 . 0 0 "[ . 1 . 2]" 3 1214 1 99 VAL H 1 99 VAL MG2 3.150 . 3.500 1.966 1.840 2.124 . 0 0 "[ . 1 . 2]" 3 1215 1 107 GLY HA3 1 140 TRP HE1 3.150 . 4.500 3.715 3.262 4.067 . 0 0 "[ . 1 . 2]" 3 1216 1 129 GLU HA 1 140 TRP HE1 3.150 . 4.500 3.783 3.309 4.240 . 0 0 "[ . 1 . 2]" 3 1217 1 129 GLU HG3 1 140 TRP HE1 3.150 . 4.500 3.592 2.904 4.342 . 0 0 "[ . 1 . 2]" 3 1218 1 140 TRP H 1 140 TRP HD1 2.650 . 3.500 3.257 3.068 3.507 0.007 14 0 "[ . 1 . 2]" 3 1219 1 93 TYR H 1 93 TYR QD 3.150 . 4.500 2.483 2.339 2.722 . 0 0 "[ . 1 . 2]" 3 1220 1 138 ASN HB3 1 138 ASN HD21 3.150 . 4.500 3.109 2.269 3.504 . 0 0 "[ . 1 . 2]" 3 1221 1 108 LEU HG 1 138 ASN HD21 3.150 . 4.500 2.929 1.808 3.749 . 0 0 "[ . 1 . 2]" 3 1222 1 108 LEU HG 1 138 ASN HD22 3.150 . 4.500 3.181 1.760 4.088 0.040 18 0 "[ . 1 . 2]" 3 1223 1 68 ASN H 1 68 ASN HD21 3.150 . 4.500 2.962 2.452 3.949 . 0 0 "[ . 1 . 2]" 3 1224 1 144 ASN HB3 1 144 ASN HD21 2.650 . 3.500 3.002 2.208 3.493 . 0 0 "[ . 1 . 2]" 3 1225 1 123 GLN HE21 1 123 GLN HG3 3.150 . 4.500 2.755 2.027 3.530 . 0 0 "[ . 1 . 2]" 3 1226 1 123 GLN HE21 1 123 GLN HG2 2.650 . 3.500 2.760 2.183 3.496 . 0 0 "[ . 1 . 2]" 3 1227 1 106 GLN HA 1 106 GLN HE22 3.150 . 4.500 3.274 3.105 3.983 . 0 0 "[ . 1 . 2]" 3 1228 1 131 GLN HE21 1 131 GLN QG 2.650 . 3.500 2.655 2.182 2.826 . 0 0 "[ . 1 . 2]" 3 1229 1 131 GLN HB2 1 131 GLN HE21 3.150 . 4.500 3.493 2.550 4.095 . 0 0 "[ . 1 . 2]" 3 1230 1 131 GLN HE22 1 131 GLN QG 3.150 . 4.500 3.424 3.273 3.496 . 0 0 "[ . 1 . 2]" 3 1231 1 106 GLN HE21 1 137 LEU HG 3.150 . 4.500 4.225 3.025 4.625 0.125 16 0 "[ . 1 . 2]" 3 1232 1 106 GLN HB2 1 106 GLN HE21 3.150 . 4.500 3.968 3.848 4.422 . 0 0 "[ . 1 . 2]" 3 1233 1 80 GLN HE21 1 80 GLN HG3 2.650 . 3.500 2.821 2.193 3.521 0.021 19 0 "[ . 1 . 2]" 3 1234 1 119 ASN HB3 1 119 ASN HD21 3.150 . 4.500 2.980 2.195 3.451 . 0 0 "[ . 1 . 2]" 3 1235 1 119 ASN HB2 1 119 ASN HD21 2.650 . 3.500 2.498 2.068 3.522 0.022 14 0 "[ . 1 . 2]" 3 1236 1 116 LYS HG3 1 119 ASN HD22 3.150 . 4.500 4.241 2.710 4.561 0.061 19 0 "[ . 1 . 2]" 3 1237 1 91 TYR HA 1 100 ASN HD21 3.150 . 4.500 3.741 2.397 4.531 0.031 9 0 "[ . 1 . 2]" 3 1238 1 91 TYR HA 1 100 ASN HD22 3.150 . 4.500 2.815 1.847 3.433 . 0 0 "[ . 1 . 2]" 3 1239 1 27 TYR QD 1 28 LYS H 3.150 . 4.500 3.669 3.463 3.894 . 0 0 "[ . 1 . 2]" 3 1240 1 94 ALA MB 1 95 ASP H 3.150 . 4.500 3.389 3.349 3.432 . 0 0 "[ . 1 . 2]" 3 1241 1 16 LYS H 1 24 LYS H 3.150 . 4.500 3.298 3.156 3.431 . 0 0 "[ . 1 . 2]" 3 1242 1 17 ALA HA 1 24 LYS H 3.150 . 4.500 3.038 2.737 3.351 . 0 0 "[ . 1 . 2]" 3 1243 1 18 ILE HG12 1 24 LYS H 3.150 . 4.500 3.200 2.366 4.518 0.018 13 0 "[ . 1 . 2]" 3 1244 1 24 LYS HB3 1 25 LEU H 3.150 . 4.500 4.130 4.036 4.184 . 0 0 "[ . 1 . 2]" 3 1245 1 76 PHE H 1 76 PHE QD 3.150 . 4.500 2.613 2.390 2.800 . 0 0 "[ . 1 . 2]" 3 1246 1 72 ILE MG 1 93 TYR H 3.150 . 4.500 3.760 3.567 4.034 . 0 0 "[ . 1 . 2]" 3 1247 1 34 PHE H 1 34 PHE QD 3.150 . 4.500 2.828 2.560 3.094 . 0 0 "[ . 1 . 2]" 3 1248 1 34 PHE H 1 34 PHE HB2 3.150 . 4.500 2.478 2.410 2.556 . 0 0 "[ . 1 . 2]" 3 1249 1 32 MET H 1 32 MET HB2 2.650 . 3.500 3.025 2.603 3.235 . 0 0 "[ . 1 . 2]" 3 1250 1 14 LEU H 1 14 LEU MD2 3.150 . 4.500 4.343 4.240 4.446 . 0 0 "[ . 1 . 2]" 3 1251 1 14 LEU MD1 1 15 ILE H 3.150 . 4.500 2.431 2.081 2.666 . 0 0 "[ . 1 . 2]" 3 1252 1 57 GLU HA 1 58 ALA H 3.150 . 4.500 3.043 2.237 3.579 . 0 0 "[ . 1 . 2]" 3 1253 1 79 GLY HA2 1 80 GLN H 2.650 . 3.500 3.299 3.096 3.500 0.000 9 0 "[ . 1 . 2]" 3 1254 1 91 TYR QE 1 120 THR H 3.150 . 4.500 3.862 3.479 4.542 0.042 13 0 "[ . 1 . 2]" 3 1255 1 91 TYR HE1 1 121 HIS H 3.150 . 4.500 4.005 2.843 4.520 0.020 2 0 "[ . 1 . 2]" 3 1256 1 35 ARG H 1 88 GLY HA3 3.150 . 4.500 4.296 4.020 4.512 0.012 6 0 "[ . 1 . 2]" 3 1257 1 139 ILE H 1 139 ILE HG12 3.150 . 4.500 2.516 1.931 4.491 . 0 0 "[ . 1 . 2]" 3 1258 1 105 ARG H 1 105 ARG QB 2.650 . 3.500 2.369 2.153 3.072 . 0 0 "[ . 1 . 2]" 3 1259 1 25 LEU HB3 1 26 MET H 2.650 . 3.500 3.493 3.391 3.521 0.021 2 0 "[ . 1 . 2]" 3 1260 1 26 MET H 1 26 MET HB2 2.650 . 3.500 2.647 2.522 2.691 . 0 0 "[ . 1 . 2]" 3 1261 1 15 ILE HG13 1 26 MET H 3.150 . 4.500 2.471 2.322 2.593 . 0 0 "[ . 1 . 2]" 3 1262 1 25 LEU HB2 1 26 MET H 2.650 . 3.500 2.214 2.088 2.321 . 0 0 "[ . 1 . 2]" 3 1263 1 127 LYS H 1 128 SER HB2 3.150 . 4.500 4.532 4.509 4.551 0.051 11 0 "[ . 1 . 2]" 3 1264 1 5 LYS QG 1 6 LYS H 3.150 . 4.500 3.615 2.150 4.642 0.142 15 0 "[ . 1 . 2]" 3 1265 1 6 LYS H 1 6 LYS QG 3.150 . 4.500 2.948 1.981 4.269 . 0 0 "[ . 1 . 2]" 3 1266 1 133 LYS HA 1 134 LYS H 3.150 . 4.500 3.557 3.514 3.586 . 0 0 "[ . 1 . 2]" 3 1267 1 91 TYR HB3 1 92 ILE H 3.150 . 4.500 3.441 3.205 3.667 . 0 0 "[ . 1 . 2]" 3 1268 1 134 LYS H 1 134 LYS HG2 2.650 . 3.500 2.579 2.027 3.536 0.036 20 0 "[ . 1 . 2]" 3 1269 1 92 ILE H 1 92 ILE HG13 2.650 . 3.500 2.509 2.214 2.748 . 0 0 "[ . 1 . 2]" 3 1270 1 123 GLN QB 1 124 LEU H 2.650 . 3.500 2.973 2.288 3.549 0.049 15 0 "[ . 1 . 2]" 3 1271 1 40 ASP H 1 112 ALA MB 3.150 . 4.500 3.108 2.589 3.644 . 0 0 "[ . 1 . 2]" 3 1272 1 82 THR HB 1 83 ASP H 2.650 . 3.500 2.718 2.508 2.921 . 0 0 "[ . 1 . 2]" 3 1273 1 83 ASP HB2 1 87 ARG H 3.150 . 4.500 4.074 3.599 4.619 0.119 3 0 "[ . 1 . 2]" 3 1274 1 87 ARG H 1 87 ARG HB2 2.650 . 3.500 2.520 2.221 2.664 . 0 0 "[ . 1 . 2]" 3 1275 1 69 ALA H 1 72 ILE MD 3.150 . 4.500 4.267 3.991 4.526 0.026 18 0 "[ . 1 . 2]" 3 1276 1 17 ALA HA 1 19 ASP H 3.150 . 4.500 4.107 3.774 4.524 0.024 3 0 "[ . 1 . 2]" 3 1277 1 61 PHE QD 1 62 THR H 3.150 . 4.500 3.564 3.158 3.953 . 0 0 "[ . 1 . 2]" 3 1278 1 62 THR H 1 62 THR HB 2.650 . 3.500 2.537 2.430 2.672 . 0 0 "[ . 1 . 2]" 3 1279 1 121 HIS HB2 1 122 GLU H 3.150 . 4.500 4.028 3.874 4.164 . 0 0 "[ . 1 . 2]" 3 1280 1 60 ALA HA 1 63 LYS H 2.650 . 3.500 3.473 3.340 3.532 0.032 7 0 "[ . 1 . 2]" 3 1281 1 59 SER HA 1 63 LYS H 3.150 . 4.500 4.138 3.917 4.510 0.010 1 0 "[ . 1 . 2]" 3 1282 1 139 ILE HB 1 140 TRP H 3.150 . 4.500 4.220 4.076 4.309 . 0 0 "[ . 1 . 2]" 3 1283 1 139 ILE HG12 1 140 TRP H 3.150 . 4.500 3.491 3.117 4.200 . 0 0 "[ . 1 . 2]" 3 1284 1 12 ALA H 1 73 GLU HA 2.650 . 3.500 3.100 2.901 3.246 . 0 0 "[ . 1 . 2]" 3 1285 1 12 ALA H 1 73 GLU HG2 3.150 . 4.500 4.359 3.807 4.552 0.052 4 0 "[ . 1 . 2]" 3 1286 1 12 ALA H 1 72 ILE HB 3.150 . 4.500 3.389 3.130 3.582 . 0 0 "[ . 1 . 2]" 3 1287 1 129 GLU HA 1 130 ALA H 3.150 . 4.500 3.501 3.471 3.539 . 0 0 "[ . 1 . 2]" 3 1288 1 30 GLN H 1 31 PRO QD 3.150 . 4.500 4.306 4.144 4.370 . 0 0 "[ . 1 . 2]" 3 1289 1 77 ASP HB3 1 78 LYS H 3.150 . 4.500 2.724 2.165 3.116 . 0 0 "[ . 1 . 2]" 3 1290 1 123 GLN HA 1 126 ARG H 2.650 . 3.500 3.220 2.904 3.541 0.041 11 0 "[ . 1 . 2]" 3 1291 1 124 LEU HG 1 125 LEU H 3.150 . 4.500 4.308 3.608 4.587 0.087 17 0 "[ . 1 . 2]" 3 1292 1 124 LEU MD1 1 125 LEU H 3.150 . 4.500 3.466 2.955 4.520 0.020 13 0 "[ . 1 . 2]" 3 1293 1 127 LYS HD2 1 128 SER H 3.150 . 4.500 3.625 2.066 4.620 0.120 17 0 "[ . 1 . 2]" 3 1294 1 74 VAL H 1 74 VAL HB 3.150 . 4.500 3.786 3.727 3.821 . 0 0 "[ . 1 . 2]" 3 1295 1 135 GLU HB3 1 136 LYS H 3.150 . 4.500 4.224 3.938 4.408 . 0 0 "[ . 1 . 2]" 3 1296 1 135 GLU HB2 1 136 LYS H 3.150 . 4.500 3.431 3.181 3.718 . 0 0 "[ . 1 . 2]" 3 1297 1 138 ASN HA 1 141 SER H 3.150 . 4.500 4.037 3.481 4.396 . 0 0 "[ . 1 . 2]" 3 1298 1 101 GLU HA 1 103 LEU H 3.150 . 4.500 4.491 4.265 4.585 0.085 6 0 "[ . 1 . 2]" 3 1299 1 108 LEU HA 1 109 ALA H 2.650 . 3.500 3.349 3.189 3.503 0.003 7 0 "[ . 1 . 2]" 3 1300 1 13 THR H 1 25 LEU HB2 3.150 . 4.500 3.008 2.783 3.198 . 0 0 "[ . 1 . 2]" 3 1301 1 80 GLN H 1 118 ASN HD22 3.150 . 4.500 2.940 2.358 4.650 0.150 13 0 "[ . 1 . 2]" 3 1302 1 118 ASN HB2 1 118 ASN HD21 3.150 . 4.500 3.063 2.258 3.442 . 0 0 "[ . 1 . 2]" 3 1303 1 118 ASN HB3 1 118 ASN HD21 3.150 . 4.500 2.301 2.143 3.534 . 0 0 "[ . 1 . 2]" 3 1304 1 80 GLN HB2 1 118 ASN HD22 3.150 . 4.500 3.946 2.704 4.588 0.088 13 0 "[ . 1 . 2]" 3 1305 1 89 LEU HB2 1 118 ASN HD22 3.150 . 4.500 3.242 2.703 4.123 . 0 0 "[ . 1 . 2]" 3 1306 1 138 ASN HB2 1 138 ASN HD21 3.150 . 4.500 2.615 2.105 3.569 . 0 0 "[ . 1 . 2]" 3 1307 1 64 LYS HA 1 68 ASN HD22 3.150 . 4.500 3.876 3.396 4.515 0.015 20 0 "[ . 1 . 2]" 3 1308 1 106 GLN HB3 1 106 GLN HE21 3.150 . 4.500 4.082 3.939 4.513 0.013 18 0 "[ . 1 . 2]" 3 1309 1 40 ASP HA 1 41 THR H 3.150 . 4.500 2.140 2.013 2.301 . 0 0 "[ . 1 . 2]" 3 1310 1 111 VAL HA 1 112 ALA H 2.300 . 2.800 2.182 2.061 2.343 . 0 0 "[ . 1 . 2]" 3 1311 1 26 MET HA 1 27 TYR H 2.300 . 2.800 2.120 2.054 2.171 . 0 0 "[ . 1 . 2]" 3 1312 1 71 LYS HA 1 72 ILE H 2.300 . 2.800 2.131 2.011 2.263 . 0 0 "[ . 1 . 2]" 3 1313 1 28 LYS H 1 28 LYS HA 2.300 . 2.800 2.245 2.215 2.271 . 0 0 "[ . 1 . 2]" 3 1314 1 94 ALA HA 1 95 ASP H 2.300 . 2.800 2.095 2.055 2.126 . 0 0 "[ . 1 . 2]" 3 1315 1 95 ASP H 1 95 ASP HA 2.300 . 2.800 2.225 2.184 2.281 . 0 0 "[ . 1 . 2]" 3 1316 1 74 VAL HA 1 75 GLU H 2.300 . 2.800 2.149 2.097 2.194 . 0 0 "[ . 1 . 2]" 3 1317 1 75 GLU HA 1 76 PHE H 2.300 . 2.800 2.081 2.044 2.128 . 0 0 "[ . 1 . 2]" 3 1318 1 92 ILE HA 1 93 TYR H 2.300 . 2.800 2.052 1.982 2.089 . 0 0 "[ . 1 . 2]" 3 1319 1 33 THR HA 1 34 PHE H 2.300 . 2.800 2.140 2.072 2.210 . 0 0 "[ . 1 . 2]" 3 1320 1 93 TYR HA 1 94 ALA H 2.300 . 2.800 2.113 2.054 2.162 . 0 0 "[ . 1 . 2]" 3 1321 1 70 LYS H 1 71 LYS H 2.300 . 2.800 2.422 2.206 2.620 . 0 0 "[ . 1 . 2]" 3 1322 1 69 ALA HA 1 70 LYS H 2.300 . 2.800 2.163 2.038 2.328 . 0 0 "[ . 1 . 2]" 3 1323 1 13 THR HA 1 14 LEU H 2.300 . 2.800 2.351 2.234 2.464 . 0 0 "[ . 1 . 2]" 3 1324 1 14 LEU H 1 14 LEU HB3 2.300 . 2.800 2.561 2.489 2.635 . 0 0 "[ . 1 . 2]" 3 1325 1 129 GLU H 1 129 GLU HB3 2.300 . 2.800 2.505 2.390 2.611 . 0 0 "[ . 1 . 2]" 3 1326 1 120 THR H 1 120 THR HB 2.300 . 2.800 2.628 2.499 2.710 . 0 0 "[ . 1 . 2]" 3 1327 1 8 HIS HA 1 9 LYS H 2.300 . 2.800 2.194 2.055 2.437 . 0 0 "[ . 1 . 2]" 3 1328 1 32 MET HA 1 33 THR H 2.300 . 2.800 2.187 2.094 2.250 . 0 0 "[ . 1 . 2]" 3 1329 1 9 LYS HA 1 10 GLU H 2.300 . 2.800 2.052 1.983 2.182 . 0 0 "[ . 1 . 2]" 3 1330 1 110 LYS HA 1 111 VAL H 2.300 . 2.800 2.380 2.307 2.468 . 0 0 "[ . 1 . 2]" 3 1331 1 111 VAL H 1 111 VAL HB 2.300 . 2.800 2.544 2.450 2.690 . 0 0 "[ . 1 . 2]" 3 1332 1 72 ILE HA 1 73 GLU H 2.300 . 2.800 2.153 2.111 2.215 . 0 0 "[ . 1 . 2]" 3 1333 1 76 PHE HA 1 77 ASP H 2.300 . 2.800 2.176 1.924 2.258 . 0 0 "[ . 1 . 2]" 3 1334 1 90 ALA HA 1 91 TYR H 2.300 . 2.800 2.196 2.050 2.329 . 0 0 "[ . 1 . 2]" 3 1335 1 104 VAL HB 1 105 ARG H 2.300 . 2.800 2.653 2.450 2.786 . 0 0 "[ . 1 . 2]" 3 1336 1 127 LYS H 1 127 LYS QB 2.300 . 2.800 2.477 2.105 2.757 . 0 0 "[ . 1 . 2]" 3 1337 1 126 ARG HB3 1 127 LYS H 2.650 . 3.500 3.320 2.336 3.607 0.107 9 0 "[ . 1 . 2]" 3 1338 1 6 LYS HA 1 7 LEU H 2.300 . 2.800 2.392 1.975 2.706 . 0 0 "[ . 1 . 2]" 3 1339 1 133 LYS HB2 1 134 LYS H 2.300 . 2.800 2.564 2.311 2.758 . 0 0 "[ . 1 . 2]" 3 1340 1 92 ILE H 1 92 ILE HB 2.300 . 2.800 2.505 2.462 2.579 . 0 0 "[ . 1 . 2]" 3 1341 1 124 LEU H 1 124 LEU HA 2.300 . 2.800 2.804 2.777 2.821 0.021 9 0 "[ . 1 . 2]" 3 1342 1 124 LEU H 1 124 LEU HB2 2.300 . 2.800 2.440 2.304 2.626 . 0 0 "[ . 1 . 2]" 3 1343 1 97 LYS H 1 97 LYS HB2 2.300 . 2.800 2.453 2.157 2.738 . 0 0 "[ . 1 . 2]" 3 1344 1 68 ASN H 1 69 ALA H 2.300 . 2.800 2.363 2.248 2.536 . 0 0 "[ . 1 . 2]" 3 1345 1 80 GLN HA 1 81 ARG H 2.300 . 2.800 2.229 1.978 2.796 . 0 0 "[ . 1 . 2]" 3 1346 1 122 GLU H 1 122 GLU HB3 2.300 . 2.800 2.448 2.170 2.682 . 0 0 "[ . 1 . 2]" 3 1347 1 11 PRO HA 1 12 ALA H 2.300 . 2.800 2.184 2.119 2.232 . 0 0 "[ . 1 . 2]" 3 1348 1 130 ALA H 1 130 ALA HA 2.300 . 2.800 2.798 2.772 2.807 0.007 12 0 "[ . 1 . 2]" 3 1349 1 138 ASN H 1 138 ASN HA 2.300 . 2.800 2.645 2.616 2.690 . 0 0 "[ . 1 . 2]" 3 1350 1 136 LYS H 1 136 LYS HA 2.300 . 2.800 2.233 2.190 2.281 . 0 0 "[ . 1 . 2]" 3 1351 1 135 GLU H 1 135 GLU HB2 2.300 . 2.800 2.522 2.246 2.598 . 0 0 "[ . 1 . 2]" 3 1352 1 103 LEU H 1 103 LEU HB2 2.300 . 2.800 2.578 2.310 2.636 . 0 0 "[ . 1 . 2]" 3 1353 1 106 GLN H 1 106 GLN HB3 2.300 . 2.800 2.549 2.470 2.623 . 0 0 "[ . 1 . 2]" 3 1354 1 12 ALA HA 1 13 THR H 2.300 . 2.800 2.412 2.276 2.509 . 0 0 "[ . 1 . 2]" 3 1355 1 29 GLY H 1 29 GLY HA3 2.650 . 3.500 2.911 2.883 2.919 . 0 0 "[ . 1 . 2]" 3 1356 1 106 GLN HE21 1 106 GLN HG3 2.300 . 2.800 2.230 2.167 2.308 . 0 0 "[ . 1 . 2]" 3 1357 1 14 LEU H 1 14 LEU HB2 2.300 . 2.800 2.620 2.544 2.669 . 0 0 "[ . 1 . 2]" 3 1358 1 6 LYS HB2 1 7 LEU H 2.650 . 3.500 3.156 1.993 3.655 0.155 7 0 "[ . 1 . 2]" 3 1359 1 134 LYS H 1 134 LYS HB3 2.300 . 2.800 2.661 2.543 2.803 0.003 12 0 "[ . 1 . 2]" 3 1360 1 124 LEU H 1 124 LEU HB3 2.300 . 2.800 2.408 2.323 2.539 . 0 0 "[ . 1 . 2]" 3 1361 1 63 LYS H 1 63 LYS HB3 2.300 . 2.800 2.493 2.387 2.631 . 0 0 "[ . 1 . 2]" 3 1362 1 63 LYS H 1 63 LYS HB2 2.300 . 2.800 2.425 2.317 2.545 . 0 0 "[ . 1 . 2]" 3 stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 993 _Distance_constraint_stats_list.Viol_count 919 _Distance_constraint_stats_list.Viol_total 585.796 _Distance_constraint_stats_list.Viol_max 0.202 _Distance_constraint_stats_list.Viol_rms 0.0089 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0015 _Distance_constraint_stats_list.Viol_average_violations_only 0.0319 _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 4 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 LYS 0.244 0.129 7 0 "[ . 1 . 2]" 1 7 LEU 0.603 0.174 4 0 "[ . 1 . 2]" 1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 LYS 1.284 0.136 3 0 "[ . 1 . 2]" 1 10 GLU 0.297 0.055 13 0 "[ . 1 . 2]" 1 11 PRO 0.235 0.051 9 0 "[ . 1 . 2]" 1 12 ALA 0.665 0.051 9 0 "[ . 1 . 2]" 1 13 THR 0.743 0.051 9 0 "[ . 1 . 2]" 1 14 LEU 0.760 0.076 13 0 "[ . 1 . 2]" 1 15 ILE 0.717 0.059 11 0 "[ . 1 . 2]" 1 16 LYS 0.375 0.125 13 0 "[ . 1 . 2]" 1 17 ALA 0.084 0.018 17 0 "[ . 1 . 2]" 1 18 ILE 0.595 0.096 16 0 "[ . 1 . 2]" 1 19 ASP 0.150 0.042 20 0 "[ . 1 . 2]" 1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 ASP 0.429 0.084 3 0 "[ . 1 . 2]" 1 22 THR 0.437 0.065 20 0 "[ . 1 . 2]" 1 23 VAL 0.034 0.018 17 0 "[ . 1 . 2]" 1 24 LYS 0.414 0.096 16 0 "[ . 1 . 2]" 1 25 LEU 0.512 0.066 19 0 "[ . 1 . 2]" 1 26 MET 0.582 0.059 11 0 "[ . 1 . 2]" 1 27 TYR 0.787 0.048 12 0 "[ . 1 . 2]" 1 28 LYS 0.250 0.048 12 0 "[ . 1 . 2]" 1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 GLN 0.099 0.057 17 0 "[ . 1 . 2]" 1 31 PRO 0.071 0.032 10 0 "[ . 1 . 2]" 1 32 MET 0.023 0.018 4 0 "[ . 1 . 2]" 1 33 THR 0.033 0.012 19 0 "[ . 1 . 2]" 1 34 PHE 0.018 0.018 4 0 "[ . 1 . 2]" 1 35 ARG 0.218 0.065 20 0 "[ . 1 . 2]" 1 38 LEU 1.214 0.138 19 0 "[ . 1 . 2]" 1 39 VAL 0.532 0.084 3 0 "[ . 1 . 2]" 1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 THR 0.510 0.076 20 0 "[ . 1 . 2]" 1 42 PRO 0.294 0.076 20 0 "[ . 1 . 2]" 1 57 GLU 0.168 0.066 19 0 "[ . 1 . 2]" 1 58 ALA 0.577 0.061 1 0 "[ . 1 . 2]" 1 59 SER 0.150 0.042 20 0 "[ . 1 . 2]" 1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 PHE 0.778 0.162 2 0 "[ . 1 . 2]" 1 62 THR 0.105 0.026 15 0 "[ . 1 . 2]" 1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 LYS 0.915 0.113 11 0 "[ . 1 . 2]" 1 65 MET 0.532 0.041 19 0 "[ . 1 . 2]" 1 66 VAL 0.996 0.113 11 0 "[ . 1 . 2]" 1 67 GLU 0.683 0.076 13 0 "[ . 1 . 2]" 1 68 ASN 0.295 0.049 6 0 "[ . 1 . 2]" 1 69 ALA 0.750 0.076 6 0 "[ . 1 . 2]" 1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 LYS 0.425 0.108 1 0 "[ . 1 . 2]" 1 72 ILE 1.092 0.076 6 0 "[ . 1 . 2]" 1 73 GLU 1.037 0.077 4 0 "[ . 1 . 2]" 1 74 VAL 1.894 0.069 5 0 "[ . 1 . 2]" 1 75 GLU 0.147 0.039 13 0 "[ . 1 . 2]" 1 76 PHE 0.613 0.113 16 0 "[ . 1 . 2]" 1 77 ASP 0.760 0.202 9 0 "[ . 1 . 2]" 1 78 LYS 0.184 0.051 20 0 "[ . 1 . 2]" 1 79 GLY 0.577 0.098 9 0 "[ . 1 . 2]" 1 80 GLN 0.167 0.098 9 0 "[ . 1 . 2]" 1 81 ARG 1.816 0.113 16 0 "[ . 1 . 2]" 1 82 THR 0.651 0.079 15 0 "[ . 1 . 2]" 1 83 ASP 0.034 0.034 3 0 "[ . 1 . 2]" 1 86 GLY 0.275 0.079 15 0 "[ . 1 . 2]" 1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 88 GLY 0.322 0.054 15 0 "[ . 1 . 2]" 1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 ILE 1.261 0.069 5 0 "[ . 1 . 2]" 1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 94 ALA 0.174 0.026 19 0 "[ . 1 . 2]" 1 95 ASP 0.425 0.108 1 0 "[ . 1 . 2]" 1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 97 LYS 0.043 0.019 1 0 "[ . 1 . 2]" 1 98 MET 0.047 0.047 7 0 "[ . 1 . 2]" 1 99 VAL 0.017 0.010 1 0 "[ . 1 . 2]" 1 100 ASN 0.445 0.064 11 0 "[ . 1 . 2]" 1 101 GLU 2.574 0.093 9 0 "[ . 1 . 2]" 1 102 ALA 0.300 0.112 6 0 "[ . 1 . 2]" 1 103 LEU 0.495 0.069 15 0 "[ . 1 . 2]" 1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 ARG 0.133 0.112 6 0 "[ . 1 . 2]" 1 106 GLN 0.006 0.005 6 0 "[ . 1 . 2]" 1 107 GLY 0.176 0.076 20 0 "[ . 1 . 2]" 1 108 LEU 1.261 0.162 2 0 "[ . 1 . 2]" 1 109 ALA 0.264 0.069 19 0 "[ . 1 . 2]" 1 110 LYS 0.770 0.132 6 0 "[ . 1 . 2]" 1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 112 ALA 0.057 0.041 18 0 "[ . 1 . 2]" 1 114 VAL 0.138 0.041 18 0 "[ . 1 . 2]" 1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 116 LYS 0.661 0.105 13 0 "[ . 1 . 2]" 1 117 PRO 0.410 0.082 13 0 "[ . 1 . 2]" 1 118 ASN 0.507 0.202 9 0 "[ . 1 . 2]" 1 119 ASN 0.327 0.146 3 0 "[ . 1 . 2]" 1 120 THR 0.006 0.006 9 0 "[ . 1 . 2]" 1 121 HIS 0.200 0.052 16 0 "[ . 1 . 2]" 1 122 GLU 1.201 0.138 19 0 "[ . 1 . 2]" 1 123 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 LEU 0.813 0.083 20 0 "[ . 1 . 2]" 1 125 LEU 0.759 0.066 3 0 "[ . 1 . 2]" 1 126 ARG 1.187 0.069 9 0 "[ . 1 . 2]" 1 127 LYS 0.646 0.087 4 0 "[ . 1 . 2]" 1 128 SER 0.687 0.117 11 0 "[ . 1 . 2]" 1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 130 ALA 0.173 0.071 5 0 "[ . 1 . 2]" 1 131 GLN 0.401 0.117 11 0 "[ . 1 . 2]" 1 132 ALA 0.371 0.076 20 0 "[ . 1 . 2]" 1 133 LYS 0.460 0.071 5 0 "[ . 1 . 2]" 1 134 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 135 GLU 0.334 0.109 10 0 "[ . 1 . 2]" 1 136 LYS 0.989 0.101 7 0 "[ . 1 . 2]" 1 137 LEU 0.053 0.038 4 0 "[ . 1 . 2]" 1 138 ASN 0.445 0.094 1 0 "[ . 1 . 2]" 1 139 ILE 0.776 0.170 4 0 "[ . 1 . 2]" 1 140 TRP 0.195 0.037 16 0 "[ . 1 . 2]" 1 141 SER 1.206 0.170 4 0 "[ . 1 . 2]" 1 142 GLU 0.181 0.072 11 0 "[ . 1 . 2]" 1 143 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 144 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 148 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 149 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 82 THR HB 1 89 LEU MD1 3.650 . 5.500 5.180 4.941 5.394 . 0 0 "[ . 1 . 2]" 4 2 1 74 VAL HA 1 93 TYR QD 3.650 . 5.500 3.603 3.319 3.880 . 0 0 "[ . 1 . 2]" 4 3 1 34 PHE HA 1 92 ILE MD 3.650 . 5.500 4.725 4.480 5.183 . 0 0 "[ . 1 . 2]" 4 4 1 27 TYR HA 1 74 VAL MG2 3.650 . 5.500 4.624 4.181 5.094 . 0 0 "[ . 1 . 2]" 4 5 1 103 LEU HA 1 104 VAL HA 3.650 . 5.500 4.640 4.528 4.707 . 0 0 "[ . 1 . 2]" 4 6 1 20 GLY HA3 1 103 LEU MD1 3.650 . 5.500 3.829 3.338 4.796 . 0 0 "[ . 1 . 2]" 4 7 1 107 GLY HA3 1 137 LEU MD1 3.650 . 5.500 3.401 2.899 4.045 . 0 0 "[ . 1 . 2]" 4 8 1 76 PHE HZ 1 81 ARG HD2 3.650 . 5.500 4.281 3.499 5.520 0.020 5 0 "[ . 1 . 2]" 4 9 1 61 PHE HB2 1 108 LEU MD2 3.650 . 5.500 2.841 2.113 3.590 . 0 0 "[ . 1 . 2]" 4 10 1 15 ILE MG 1 25 LEU HA 3.650 . 5.500 4.375 4.230 4.615 . 0 0 "[ . 1 . 2]" 4 11 1 92 ILE MG 1 93 TYR QD 3.650 . 5.500 4.483 4.302 4.608 . 0 0 "[ . 1 . 2]" 4 12 1 74 VAL MG2 1 76 PHE QD 3.650 . 5.500 3.446 3.234 3.660 . 0 0 "[ . 1 . 2]" 4 13 1 104 VAL QG 1 110 LYS HA 3.650 . 5.500 3.033 2.543 3.579 . 0 0 "[ . 1 . 2]" 4 14 1 121 HIS HA 1 125 LEU MD1 3.650 . 5.500 5.262 5.011 5.512 0.012 17 0 "[ . 1 . 2]" 4 15 1 40 ASP HA 1 109 ALA MB 3.650 . 5.500 4.676 4.318 5.080 . 0 0 "[ . 1 . 2]" 4 16 1 109 ALA MB 1 139 ILE MD 3.650 . 5.500 4.095 3.745 4.907 . 0 0 "[ . 1 . 2]" 4 17 1 61 PHE QD 1 108 LEU MD1 3.650 . 5.500 2.874 2.398 3.303 . 0 0 "[ . 1 . 2]" 4 18 1 82 THR HB 1 88 GLY HA3 3.650 . 5.500 5.400 5.145 5.544 0.044 14 0 "[ . 1 . 2]" 4 19 1 82 THR HB 1 88 GLY HA2 3.650 . 5.500 3.821 3.594 3.966 . 0 0 "[ . 1 . 2]" 4 20 1 82 THR HB 1 89 LEU HG 3.650 . 5.500 4.672 4.481 4.899 . 0 0 "[ . 1 . 2]" 4 21 1 13 THR HB 1 26 MET HA 4.150 . 6.500 5.226 4.993 5.525 . 0 0 "[ . 1 . 2]" 4 22 1 13 THR HB 1 26 MET HG3 3.650 . 5.500 5.083 4.718 5.390 . 0 0 "[ . 1 . 2]" 4 23 1 13 THR HB 1 26 MET HG2 3.650 . 5.500 4.250 3.788 4.733 . 0 0 "[ . 1 . 2]" 4 24 1 13 THR HB 1 15 ILE HG12 3.650 . 5.500 5.213 4.905 5.439 . 0 0 "[ . 1 . 2]" 4 25 1 13 THR HB 1 15 ILE MD 3.650 . 5.500 5.363 5.057 5.533 0.033 6 0 "[ . 1 . 2]" 4 26 1 22 THR HB 1 35 ARG HA 3.650 . 5.500 5.297 4.787 5.565 0.065 20 0 "[ . 1 . 2]" 4 27 1 18 ILE HA 1 22 THR HB 3.650 . 5.500 5.136 4.737 5.497 . 0 0 "[ . 1 . 2]" 4 28 1 19 ASP HB2 1 22 THR HB 3.650 . 5.500 3.545 2.082 5.479 . 0 0 "[ . 1 . 2]" 4 29 1 7 LEU MD2 1 120 THR HA 3.650 . 5.500 4.762 4.339 5.420 . 0 0 "[ . 1 . 2]" 4 30 1 41 THR HB 1 58 ALA MB 3.650 . 5.500 2.621 2.042 3.719 . 0 0 "[ . 1 . 2]" 4 31 1 17 ALA MB 1 62 THR HB 3.650 . 5.500 3.574 3.228 4.003 . 0 0 "[ . 1 . 2]" 4 32 1 33 THR HB 1 34 PHE HA 3.650 . 5.500 4.671 4.451 4.794 . 0 0 "[ . 1 . 2]" 4 33 1 32 MET HA 1 33 THR HB 3.650 . 5.500 4.687 4.492 4.822 . 0 0 "[ . 1 . 2]" 4 34 1 22 THR MG 1 33 THR HB 3.650 . 5.500 4.345 4.093 4.706 . 0 0 "[ . 1 . 2]" 4 35 1 62 THR HA 1 65 MET HG2 3.650 . 5.500 2.646 2.109 3.686 . 0 0 "[ . 1 . 2]" 4 36 1 62 THR HA 1 65 MET QB 3.150 . 4.500 4.150 2.985 4.526 0.026 15 0 "[ . 1 . 2]" 4 37 1 62 THR HA 1 66 VAL MG2 3.650 . 5.500 4.238 4.019 4.490 . 0 0 "[ . 1 . 2]" 4 38 1 62 THR HA 1 103 LEU MD2 3.650 . 5.500 2.853 2.248 4.283 . 0 0 "[ . 1 . 2]" 4 39 1 7 LEU HG 1 120 THR HB 3.650 . 5.500 4.246 3.346 5.331 . 0 0 "[ . 1 . 2]" 4 40 1 65 MET HG3 1 99 VAL HA 3.650 . 5.500 4.215 3.300 4.715 . 0 0 "[ . 1 . 2]" 4 41 1 94 ALA MB 1 99 VAL HA 3.650 . 5.500 4.099 3.818 4.441 . 0 0 "[ . 1 . 2]" 4 42 1 99 VAL HA 1 103 LEU MD1 3.650 . 5.500 4.807 3.656 5.095 . 0 0 "[ . 1 . 2]" 4 43 1 138 ASN HB3 1 139 ILE HA 3.650 . 5.500 4.608 4.123 5.594 0.094 1 0 "[ . 1 . 2]" 4 44 1 138 ASN HB2 1 139 ILE HA 3.650 . 4.500 4.394 4.249 4.488 . 0 0 "[ . 1 . 2]" 4 45 1 24 LYS HB3 1 33 THR HA 3.650 . 5.500 4.541 4.430 4.629 . 0 0 "[ . 1 . 2]" 4 46 1 24 LYS QG 1 33 THR HA 3.650 . 5.500 2.655 2.485 2.805 . 0 0 "[ . 1 . 2]" 4 47 1 22 THR MG 1 33 THR HA 3.650 . 5.500 4.302 3.994 4.762 . 0 0 "[ . 1 . 2]" 4 48 1 33 THR HA 1 33 THR MG . . 2.800 2.299 2.249 2.384 . 0 0 "[ . 1 . 2]" 4 49 1 139 ILE HA 1 141 SER QB 3.650 . 5.500 4.831 4.351 5.670 0.170 4 0 "[ . 1 . 2]" 4 50 1 14 LEU MD2 1 66 VAL HA 3.650 . 5.500 5.074 4.608 5.516 0.016 11 0 "[ . 1 . 2]" 4 51 1 128 SER HA 1 131 GLN QG 3.650 . 5.500 3.785 2.429 4.828 . 0 0 "[ . 1 . 2]" 4 52 1 128 SER HA 1 132 ALA MB 3.650 . 5.500 4.768 4.486 5.094 . 0 0 "[ . 1 . 2]" 4 53 1 104 VAL QG 1 128 SER HA 3.650 . 5.500 4.102 3.908 4.335 . 0 0 "[ . 1 . 2]" 4 54 1 18 ILE HA 1 23 VAL HA 3.650 . 5.500 4.490 4.299 4.647 . 0 0 "[ . 1 . 2]" 4 55 1 18 ILE HA 1 24 LYS HB2 3.650 . 5.500 5.445 5.173 5.596 0.096 16 0 "[ . 1 . 2]" 4 56 1 101 GLU HG3 1 128 SER HB3 3.150 . 4.500 4.246 3.650 4.593 0.093 9 0 "[ . 1 . 2]" 4 57 1 104 VAL QG 1 128 SER HB2 3.650 . 5.500 2.549 2.389 2.935 . 0 0 "[ . 1 . 2]" 4 58 1 122 GLU HA 1 125 LEU MD1 3.150 . 4.500 2.839 2.354 3.391 . 0 0 "[ . 1 . 2]" 4 59 1 19 ASP HB2 1 59 SER QB 3.650 . 5.500 4.612 2.767 5.522 0.022 12 0 "[ . 1 . 2]" 4 60 1 59 SER QB 1 60 ALA MB 3.650 . 5.500 3.638 3.289 4.064 . 0 0 "[ . 1 . 2]" 4 61 1 22 THR HA 1 35 ARG HA 3.650 . 5.500 2.623 2.274 3.017 . 0 0 "[ . 1 . 2]" 4 62 1 22 THR HA 1 23 VAL HA 3.650 . 5.500 4.403 4.298 4.457 . 0 0 "[ . 1 . 2]" 4 63 1 22 THR HA 1 33 THR MG 3.650 . 5.500 4.064 3.675 4.326 . 0 0 "[ . 1 . 2]" 4 64 1 22 THR HA 1 23 VAL MG2 3.650 . 5.500 3.769 3.642 3.888 . 0 0 "[ . 1 . 2]" 4 65 1 12 ALA HA 1 13 THR HA 3.150 . 4.500 4.523 4.480 4.551 0.051 9 0 "[ . 1 . 2]" 4 66 1 13 THR HA 1 26 MET HB3 3.650 . 5.500 4.805 4.610 5.038 . 0 0 "[ . 1 . 2]" 4 67 1 13 THR HA 1 72 ILE MD 3.650 . 5.500 2.308 1.973 2.929 . 0 0 "[ . 1 . 2]" 4 68 1 13 THR HA 1 72 ILE MG 3.650 . 5.500 3.855 3.463 4.441 . 0 0 "[ . 1 . 2]" 4 69 1 22 THR HB 1 23 VAL HA 3.650 . 5.500 4.539 4.224 4.789 . 0 0 "[ . 1 . 2]" 4 70 1 18 ILE HB 1 23 VAL HA 3.650 . 5.500 3.120 2.746 3.418 . 0 0 "[ . 1 . 2]" 4 71 1 17 ALA MB 1 23 VAL HA 3.650 . 5.500 3.907 3.556 4.244 . 0 0 "[ . 1 . 2]" 4 72 1 23 VAL HA 1 23 VAL MG1 3.150 . 3.500 2.392 2.366 2.417 . 0 0 "[ . 1 . 2]" 4 73 1 74 VAL HA 1 90 ALA MB 3.650 . 4.500 3.097 2.919 3.249 . 0 0 "[ . 1 . 2]" 4 74 1 76 PHE HA 1 90 ALA MB 3.650 . 5.500 2.853 2.588 3.138 . 0 0 "[ . 1 . 2]" 4 75 1 126 ARG HA 1 126 ARG HD2 3.650 . 4.500 4.355 2.036 4.562 0.062 12 0 "[ . 1 . 2]" 4 76 1 104 VAL QG 1 126 ARG HA 3.650 . 5.500 3.940 3.546 4.215 . 0 0 "[ . 1 . 2]" 4 77 1 111 VAL QG 1 126 ARG HA 3.650 . 5.500 2.294 1.960 3.074 . 0 0 "[ . 1 . 2]" 4 78 1 60 ALA HA 1 63 LYS HA 3.650 . 5.500 5.146 4.924 5.296 . 0 0 "[ . 1 . 2]" 4 79 1 63 LYS HA 1 63 LYS QE 3.650 . 5.500 4.884 4.544 5.260 . 0 0 "[ . 1 . 2]" 4 80 1 63 LYS HA 1 63 LYS HD3 3.650 . 5.500 4.593 4.295 4.730 . 0 0 "[ . 1 . 2]" 4 81 1 63 LYS HA 1 66 VAL MG2 3.650 . 5.500 2.298 2.128 2.541 . 0 0 "[ . 1 . 2]" 4 82 1 101 GLU HA 1 104 VAL QG 3.650 . 5.500 3.339 2.889 3.698 . 0 0 "[ . 1 . 2]" 4 83 1 133 LYS HA 1 140 TRP HA 3.650 . 5.500 4.772 4.487 5.085 . 0 0 "[ . 1 . 2]" 4 84 1 130 ALA HA 1 133 LYS HA 3.650 . 5.500 5.288 5.055 5.433 . 0 0 "[ . 1 . 2]" 4 85 1 132 ALA MB 1 133 LYS HA 3.650 . 5.500 3.872 3.825 3.950 . 0 0 "[ . 1 . 2]" 4 86 1 133 LYS HA 1 133 LYS HD3 3.650 . 5.500 4.359 4.204 4.434 . 0 0 "[ . 1 . 2]" 4 87 1 133 LYS HA 1 133 LYS HG3 3.150 . 4.500 2.951 2.787 3.205 . 0 0 "[ . 1 . 2]" 4 88 1 140 TRP HB2 1 141 SER HA 3.650 . 5.500 4.476 4.302 4.637 . 0 0 "[ . 1 . 2]" 4 89 1 136 LYS QG 1 141 SER HA 3.150 . 4.500 3.844 3.182 4.511 0.011 3 0 "[ . 1 . 2]" 4 90 1 57 GLU HA 1 60 ALA MB 3.650 . 5.500 3.815 2.775 5.345 . 0 0 "[ . 1 . 2]" 4 91 1 19 ASP HB3 1 22 THR HB 3.650 . 5.500 3.115 1.919 5.429 . 0 0 "[ . 1 . 2]" 4 92 1 13 THR HB 1 25 LEU HB2 3.650 . 5.500 4.792 4.572 4.932 . 0 0 "[ . 1 . 2]" 4 93 1 13 THR HB 1 72 ILE MD 3.650 . 5.500 4.844 4.586 5.299 . 0 0 "[ . 1 . 2]" 4 94 1 24 LYS HB2 1 33 THR HB 3.650 . 5.500 5.329 5.007 5.512 0.012 19 0 "[ . 1 . 2]" 4 95 1 61 PHE HB3 1 62 THR HA 3.650 . 5.500 4.215 4.002 4.381 . 0 0 "[ . 1 . 2]" 4 96 1 62 THR HA 1 66 VAL MG1 3.650 . 4.500 3.762 3.435 4.243 . 0 0 "[ . 1 . 2]" 4 97 1 99 VAL HA 1 100 ASN HA 3.650 . 5.500 4.863 4.681 4.994 . 0 0 "[ . 1 . 2]" 4 98 1 65 MET HG2 1 99 VAL HA 3.650 . 5.500 5.025 4.713 5.357 . 0 0 "[ . 1 . 2]" 4 99 1 139 ILE HA 1 139 ILE MD 3.650 . 5.500 4.122 3.641 4.214 . 0 0 "[ . 1 . 2]" 4 100 1 104 VAL HA 1 132 ALA MB 3.650 . 5.500 4.262 4.106 4.428 . 0 0 "[ . 1 . 2]" 4 101 1 33 THR HA 1 34 PHE QD 3.650 . 5.500 3.372 3.157 3.594 . 0 0 "[ . 1 . 2]" 4 102 1 140 TRP HB2 1 141 SER QB 3.650 . 5.500 4.931 4.221 5.508 0.008 17 0 "[ . 1 . 2]" 4 103 1 66 VAL HA 1 94 ALA MB 3.650 . 4.500 2.255 2.039 2.514 . 0 0 "[ . 1 . 2]" 4 104 1 101 GLU HG3 1 128 SER HB2 3.650 . 5.500 4.328 3.670 4.811 . 0 0 "[ . 1 . 2]" 4 105 1 124 LEU MD1 1 128 SER HB2 3.650 . 5.500 4.368 3.672 5.545 0.045 13 0 "[ . 1 . 2]" 4 106 1 19 ASP HB3 1 59 SER HA 3.650 . 5.500 5.224 4.448 5.542 0.042 20 0 "[ . 1 . 2]" 4 107 1 19 ASP HB3 1 59 SER QB 3.650 . 5.500 4.735 2.903 5.517 0.017 12 0 "[ . 1 . 2]" 4 108 1 22 THR HA 1 22 THR MG 3.150 . 4.500 2.306 2.190 2.401 . 0 0 "[ . 1 . 2]" 4 109 1 22 THR HA 1 23 VAL MG1 3.650 . 5.500 3.917 3.818 4.035 . 0 0 "[ . 1 . 2]" 4 110 1 13 THR HA 1 25 LEU HB3 3.650 . 5.500 5.470 5.225 5.545 0.045 4 0 "[ . 1 . 2]" 4 111 1 13 THR HA 1 72 ILE HG13 3.150 . 4.500 3.566 3.027 4.256 . 0 0 "[ . 1 . 2]" 4 112 1 22 THR MG 1 23 VAL HA 3.650 . 5.500 3.681 3.395 3.871 . 0 0 "[ . 1 . 2]" 4 113 1 18 ILE HG12 1 23 VAL HA 3.150 . 4.500 2.879 2.147 4.389 . 0 0 "[ . 1 . 2]" 4 114 1 74 VAL HA 1 75 GLU HA 3.650 . 5.500 4.359 4.317 4.406 . 0 0 "[ . 1 . 2]" 4 115 1 9 LYS HA 1 74 VAL HA 3.650 . 5.500 4.794 4.599 4.915 . 0 0 "[ . 1 . 2]" 4 116 1 74 VAL HA 1 92 ILE MG 3.650 . 5.500 3.563 3.386 3.746 . 0 0 "[ . 1 . 2]" 4 117 1 74 VAL HA 1 92 ILE MD 3.650 . 4.500 4.510 4.399 4.542 0.042 18 0 "[ . 1 . 2]" 4 118 1 76 PHE HA 1 76 PHE QD 3.650 . 4.500 2.747 2.589 2.940 . 0 0 "[ . 1 . 2]" 4 119 1 76 PHE HA 1 76 PHE QE 3.650 . 5.500 4.564 4.464 4.674 . 0 0 "[ . 1 . 2]" 4 120 1 126 ARG HA 1 130 ALA MB 3.650 . 5.500 4.834 4.575 5.221 . 0 0 "[ . 1 . 2]" 4 121 1 133 LYS HA 1 140 TRP HD1 3.650 . 4.500 3.851 3.184 4.173 . 0 0 "[ . 1 . 2]" 4 122 1 133 LYS HA 1 136 LYS QG 3.650 . 5.500 4.560 3.919 5.055 . 0 0 "[ . 1 . 2]" 4 123 1 137 LEU H 1 141 SER HA 3.650 . 5.500 5.196 4.383 5.538 0.038 4 0 "[ . 1 . 2]" 4 124 1 61 PHE HA 1 62 THR H 3.650 . 5.500 3.585 3.554 3.617 . 0 0 "[ . 1 . 2]" 4 125 1 61 PHE HA 1 61 PHE QD 3.150 . 4.500 2.701 2.315 3.134 . 0 0 "[ . 1 . 2]" 4 126 1 65 MET HA 1 67 GLU H 3.650 . 5.500 4.369 4.074 4.716 . 0 0 "[ . 1 . 2]" 4 127 1 129 GLU HA 1 131 GLN H 3.650 . 5.500 4.249 4.029 4.515 . 0 0 "[ . 1 . 2]" 4 128 1 104 VAL QG 1 129 GLU HA 3.150 . 4.500 2.184 2.036 2.340 . 0 0 "[ . 1 . 2]" 4 129 1 111 VAL QG 1 129 GLU HA 3.650 . 5.500 4.381 3.737 5.378 . 0 0 "[ . 1 . 2]" 4 130 1 125 LEU HA 1 125 LEU MD1 3.150 . 4.500 3.836 3.770 3.870 . 0 0 "[ . 1 . 2]" 4 131 1 124 LEU HA 1 124 LEU MD2 3.650 . 5.500 2.724 2.172 3.912 . 0 0 "[ . 1 . 2]" 4 132 1 76 PHE HB3 1 81 ARG HA 3.150 . 4.500 3.226 2.028 3.921 . 0 0 "[ . 1 . 2]" 4 133 1 76 PHE HB2 1 81 ARG HA 3.650 . 5.500 4.853 3.491 5.530 0.030 9 0 "[ . 1 . 2]" 4 134 1 81 ARG HA 1 81 ARG HD3 3.150 . 4.500 4.085 1.953 4.510 0.010 16 0 "[ . 1 . 2]" 4 135 1 81 ARG HA 1 89 LEU HB2 3.650 . 5.500 3.498 3.264 3.868 . 0 0 "[ . 1 . 2]" 4 136 1 76 PHE QE 1 81 ARG HA 3.650 . 5.500 4.257 3.792 4.777 . 0 0 "[ . 1 . 2]" 4 137 1 70 LYS HA 1 71 LYS HA 3.650 . 5.500 4.471 4.357 4.546 . 0 0 "[ . 1 . 2]" 4 138 1 69 ALA HA 1 70 LYS HA 3.150 . 4.500 4.348 4.285 4.394 . 0 0 "[ . 1 . 2]" 4 139 1 69 ALA MB 1 70 LYS HA 3.650 . 5.500 4.281 4.063 4.433 . 0 0 "[ . 1 . 2]" 4 140 1 66 VAL HB 1 72 ILE HA 3.650 . 5.500 5.496 5.301 5.560 0.060 19 0 "[ . 1 . 2]" 4 141 1 72 ILE HA 1 73 GLU HG3 3.650 . 5.500 3.707 3.326 4.138 . 0 0 "[ . 1 . 2]" 4 142 1 71 LYS HB2 1 72 ILE HA 3.650 . 5.500 4.545 4.274 4.762 . 0 0 "[ . 1 . 2]" 4 143 1 69 ALA MB 1 72 ILE HA 3.650 . 5.500 3.566 2.945 3.881 . 0 0 "[ . 1 . 2]" 4 144 1 72 ILE HA 1 72 ILE MD 3.650 . 4.500 3.805 3.761 3.851 . 0 0 "[ . 1 . 2]" 4 145 1 72 ILE HA 1 72 ILE MG 3.150 . 4.500 2.401 2.382 2.433 . 0 0 "[ . 1 . 2]" 4 146 1 92 ILE HA 1 93 TYR QD 3.650 . 4.500 3.136 2.972 3.254 . 0 0 "[ . 1 . 2]" 4 147 1 73 GLU HB2 1 92 ILE HA 3.650 . 5.500 4.962 4.711 5.398 . 0 0 "[ . 1 . 2]" 4 148 1 92 ILE HA 1 92 ILE MD 3.650 . 4.500 3.780 3.751 3.821 . 0 0 "[ . 1 . 2]" 4 149 1 82 THR HA 1 89 LEU HA 3.650 . 5.500 4.778 4.633 4.982 . 0 0 "[ . 1 . 2]" 4 150 1 82 THR HA 1 88 GLY HA3 3.150 . 4.500 4.059 3.748 4.281 . 0 0 "[ . 1 . 2]" 4 151 1 82 THR HA 1 83 ASP HB2 3.650 . 5.500 4.623 4.310 5.534 0.034 3 0 "[ . 1 . 2]" 4 152 1 81 ARG HB3 1 82 THR HA 3.650 . 5.500 4.787 4.363 5.000 . 0 0 "[ . 1 . 2]" 4 153 1 82 THR HA 1 89 LEU MD2 3.650 . 5.500 4.047 3.801 4.351 . 0 0 "[ . 1 . 2]" 4 154 1 34 PHE HA 1 34 PHE QD 3.650 . 5.500 3.086 3.020 3.146 . 0 0 "[ . 1 . 2]" 4 155 1 34 PHE HA 1 87 ARG HB3 3.650 . 5.500 3.022 2.529 3.618 . 0 0 "[ . 1 . 2]" 4 156 1 33 THR MG 1 34 PHE HA 3.650 . 5.500 3.965 3.730 4.213 . 0 0 "[ . 1 . 2]" 4 157 1 27 TYR HA 1 27 TYR QE 3.150 . 4.500 4.516 4.497 4.541 0.041 13 0 "[ . 1 . 2]" 4 158 1 93 TYR HA 1 93 TYR QD 3.650 . 4.500 3.175 3.115 3.246 . 0 0 "[ . 1 . 2]" 4 159 1 93 TYR HA 1 97 LYS HA 3.650 . 5.500 4.950 4.760 5.315 . 0 0 "[ . 1 . 2]" 4 160 1 27 TYR HA 1 28 LYS HA 3.650 . 5.500 4.340 4.287 4.408 . 0 0 "[ . 1 . 2]" 4 161 1 26 MET HG3 1 27 TYR HA 3.650 . 5.500 5.411 5.142 5.527 0.027 1 0 "[ . 1 . 2]" 4 162 1 93 TYR HA 1 98 MET QG 3.650 . 5.500 4.295 3.701 5.317 . 0 0 "[ . 1 . 2]" 4 163 1 92 ILE HB 1 93 TYR HA 3.650 . 5.500 5.010 4.893 5.117 . 0 0 "[ . 1 . 2]" 4 164 1 93 TYR HA 1 99 VAL MG2 3.650 . 5.500 2.833 2.473 3.206 . 0 0 "[ . 1 . 2]" 4 165 1 92 ILE MG 1 93 TYR HA 3.650 . 5.500 3.774 3.636 3.887 . 0 0 "[ . 1 . 2]" 4 166 1 9 LYS HA 1 75 GLU HG3 3.150 . 4.500 3.485 3.065 3.905 . 0 0 "[ . 1 . 2]" 4 167 1 9 LYS HA 1 75 GLU HG2 3.650 . 5.500 4.758 4.469 5.009 . 0 0 "[ . 1 . 2]" 4 168 1 9 LYS HA 1 9 LYS HD3 3.150 . 4.500 3.618 2.565 4.516 0.016 4 0 "[ . 1 . 2]" 4 169 1 9 LYS HA 1 9 LYS HD2 3.150 . 4.500 4.013 3.158 4.517 0.017 6 0 "[ . 1 . 2]" 4 170 1 24 LYS HA 1 34 PHE QD 3.650 . 5.500 3.833 3.456 4.181 . 0 0 "[ . 1 . 2]" 4 171 1 24 LYS HA 1 25 LEU HA 3.650 . 5.500 4.279 4.237 4.301 . 0 0 "[ . 1 . 2]" 4 172 1 24 LYS HA 1 24 LYS QE 3.650 . 5.500 4.490 3.877 4.888 . 0 0 "[ . 1 . 2]" 4 173 1 23 VAL HB 1 24 LYS HA 3.650 . 5.500 4.396 4.329 4.479 . 0 0 "[ . 1 . 2]" 4 174 1 24 LYS HA 1 24 LYS QD 3.650 . 5.500 4.008 3.895 4.193 . 0 0 "[ . 1 . 2]" 4 175 1 24 LYS HA 1 25 LEU HG 3.650 . 5.500 3.707 3.533 3.954 . 0 0 "[ . 1 . 2]" 4 176 1 24 LYS HA 1 33 THR MG 3.650 . 5.500 3.328 2.860 3.634 . 0 0 "[ . 1 . 2]" 4 177 1 24 LYS HA 1 25 LEU MD1 3.650 . 5.500 4.488 4.293 4.713 . 0 0 "[ . 1 . 2]" 4 178 1 99 VAL MG1 1 100 ASN HA 3.150 . 4.500 3.544 3.169 3.837 . 0 0 "[ . 1 . 2]" 4 179 1 39 VAL MG1 1 100 ASN HA 3.150 . 4.500 3.572 2.605 4.519 0.019 20 0 "[ . 1 . 2]" 4 180 1 138 ASN HA 1 141 SER QB 3.650 . 5.500 3.515 2.320 4.456 . 0 0 "[ . 1 . 2]" 4 181 1 138 ASN HA 1 139 ILE HA 3.650 . 5.500 4.510 4.386 4.603 . 0 0 "[ . 1 . 2]" 4 182 1 93 TYR HB2 1 98 MET HA 3.650 . 5.500 4.729 4.468 5.231 . 0 0 "[ . 1 . 2]" 4 183 1 98 MET HA 1 101 GLU HB3 3.650 . 5.500 5.011 4.527 5.547 0.047 7 0 "[ . 1 . 2]" 4 184 1 98 MET HA 1 99 VAL MG2 3.650 . 5.500 3.528 3.405 3.806 . 0 0 "[ . 1 . 2]" 4 185 1 114 VAL MG1 1 116 LYS HA 3.650 . 5.500 3.543 3.190 3.998 . 0 0 "[ . 1 . 2]" 4 186 1 58 ALA HA 1 103 LEU HA 3.650 . 5.500 5.075 4.592 5.403 . 0 0 "[ . 1 . 2]" 4 187 1 103 LEU HA 1 106 GLN HB3 3.650 . 5.500 3.467 3.010 3.959 . 0 0 "[ . 1 . 2]" 4 188 1 103 LEU HA 1 108 LEU HB2 3.150 . 4.500 2.758 2.247 3.062 . 0 0 "[ . 1 . 2]" 4 189 1 103 LEU HA 1 109 ALA MB 3.650 . 5.500 3.914 3.726 4.055 . 0 0 "[ . 1 . 2]" 4 190 1 103 LEU HA 1 103 LEU MD2 3.150 . 4.500 2.152 2.003 3.693 . 0 0 "[ . 1 . 2]" 4 191 1 103 LEU HA 1 108 LEU MD2 3.650 . 5.500 4.429 3.543 5.227 . 0 0 "[ . 1 . 2]" 4 192 1 28 LYS HA 1 29 GLY HA3 3.650 . 5.500 4.305 4.252 4.364 . 0 0 "[ . 1 . 2]" 4 193 1 136 LYS HA 1 140 TRP HD1 3.650 . 5.500 4.656 4.038 5.267 . 0 0 "[ . 1 . 2]" 4 194 1 136 LYS HA 1 140 TRP HA 3.650 . 5.500 4.611 4.455 5.017 . 0 0 "[ . 1 . 2]" 4 195 1 132 ALA HA 1 135 GLU HG3 3.150 . 4.500 4.051 3.280 4.510 0.010 2 0 "[ . 1 . 2]" 4 196 1 116 LYS HA 1 117 PRO HB3 3.650 . 5.500 4.597 4.319 4.751 . 0 0 "[ . 1 . 2]" 4 197 1 58 ALA HA 1 60 ALA H 3.650 . 5.500 4.486 4.144 4.864 . 0 0 "[ . 1 . 2]" 4 198 1 58 ALA HA 1 61 PHE QD 3.650 . 4.500 3.984 3.228 4.504 0.004 7 0 "[ . 1 . 2]" 4 199 1 58 ALA HA 1 108 LEU MD1 3.150 . 4.500 3.450 2.123 4.502 0.002 17 0 "[ . 1 . 2]" 4 200 1 137 LEU HA 1 137 LEU MD1 3.650 . 5.500 3.201 2.014 3.872 . 0 0 "[ . 1 . 2]" 4 201 1 130 ALA HA 1 133 LYS HE3 3.650 . 5.500 4.391 3.659 4.922 . 0 0 "[ . 1 . 2]" 4 202 1 130 ALA HA 1 133 LYS HE2 3.650 . 5.500 5.055 2.820 5.571 0.071 5 0 "[ . 1 . 2]" 4 203 1 130 ALA HA 1 133 LYS HB3 3.150 . 4.500 4.081 3.892 4.262 . 0 0 "[ . 1 . 2]" 4 204 1 130 ALA HA 1 133 LYS HG3 3.650 . 5.500 3.405 2.660 3.744 . 0 0 "[ . 1 . 2]" 4 205 1 130 ALA HA 1 133 LYS HG2 3.650 . 5.500 4.656 4.146 4.901 . 0 0 "[ . 1 . 2]" 4 206 1 102 ALA HA 1 104 VAL H 3.650 . 5.500 4.487 4.355 4.610 . 0 0 "[ . 1 . 2]" 4 207 1 102 ALA HA 1 105 ARG QB 3.150 . 4.500 2.866 2.251 4.612 0.112 6 0 "[ . 1 . 2]" 4 208 1 16 LYS HA 1 17 ALA MB 3.650 . 5.500 4.024 3.898 4.109 . 0 0 "[ . 1 . 2]" 4 209 1 14 LEU MD2 1 16 LYS HA 3.650 . 5.500 3.265 2.837 4.107 . 0 0 "[ . 1 . 2]" 4 210 1 31 PRO HA 1 32 MET HA 3.650 . 5.500 4.369 4.329 4.396 . 0 0 "[ . 1 . 2]" 4 211 1 27 TYR HB3 1 32 MET HA 3.650 . 5.500 5.242 4.951 5.505 0.005 5 0 "[ . 1 . 2]" 4 212 1 7 LEU QB 1 8 HIS HA 3.650 . 5.500 4.129 3.761 4.504 . 0 0 "[ . 1 . 2]" 4 213 1 115 TYR HA 1 115 TYR QE 3.650 . 5.500 4.601 4.318 4.775 . 0 0 "[ . 1 . 2]" 4 214 1 139 ILE MG 1 140 TRP HA 3.650 . 5.500 5.186 3.363 5.519 0.019 1 0 "[ . 1 . 2]" 4 215 1 133 LYS HG2 1 140 TRP HA 3.650 . 5.500 5.152 4.623 5.527 0.027 18 0 "[ . 1 . 2]" 4 216 1 25 LEU HA 1 26 MET HA 3.650 . 5.500 4.277 4.235 4.312 . 0 0 "[ . 1 . 2]" 4 217 1 15 ILE HG12 1 26 MET HA 3.150 . 4.500 4.510 4.393 4.559 0.059 11 0 "[ . 1 . 2]" 4 218 1 121 HIS HA 1 124 LEU MD1 3.650 . 5.500 4.895 4.341 5.378 . 0 0 "[ . 1 . 2]" 4 219 1 120 THR MG 1 121 HIS HA 3.650 . 5.500 3.943 3.461 4.371 . 0 0 "[ . 1 . 2]" 4 220 1 39 VAL H 1 40 ASP HA 3.650 . 5.500 4.907 4.672 5.102 . 0 0 "[ . 1 . 2]" 4 221 1 73 GLU HA 1 74 VAL HA 3.150 . 4.500 4.357 4.323 4.400 . 0 0 "[ . 1 . 2]" 4 222 1 40 ASP HA 1 112 ALA MB 3.650 . 5.500 3.629 2.776 4.224 . 0 0 "[ . 1 . 2]" 4 223 1 39 VAL MG2 1 40 ASP HA 3.650 . 5.500 3.757 3.456 4.126 . 0 0 "[ . 1 . 2]" 4 224 1 72 ILE MG 1 73 GLU HA 3.650 . 5.500 3.698 3.529 3.847 . 0 0 "[ . 1 . 2]" 4 225 1 73 GLU HA 1 74 VAL MG1 3.650 . 5.500 3.637 3.487 3.775 . 0 0 "[ . 1 . 2]" 4 226 1 110 LYS HA 1 140 TRP HH2 3.650 . 5.500 4.194 3.686 4.912 . 0 0 "[ . 1 . 2]" 4 227 1 110 LYS HA 1 129 GLU HA 3.650 . 5.500 4.740 4.275 5.143 . 0 0 "[ . 1 . 2]" 4 228 1 110 LYS HA 1 110 LYS QD 3.150 . 4.500 3.886 3.167 4.125 . 0 0 "[ . 1 . 2]" 4 229 1 109 ALA MB 1 110 LYS HA 3.650 . 5.500 4.108 3.998 4.240 . 0 0 "[ . 1 . 2]" 4 230 1 110 LYS HA 1 111 VAL QG 3.650 . 5.500 3.775 3.565 4.235 . 0 0 "[ . 1 . 2]" 4 231 1 110 LYS HA 1 139 ILE MD 3.650 . 5.500 3.786 3.193 5.097 . 0 0 "[ . 1 . 2]" 4 232 1 10 GLU HA 1 27 TYR QE 3.650 . 5.500 4.544 4.312 4.781 . 0 0 "[ . 1 . 2]" 4 233 1 34 PHE QD 1 89 LEU HA 3.650 . 5.500 4.136 3.864 4.479 . 0 0 "[ . 1 . 2]" 4 234 1 14 LEU HA 1 25 LEU HA 3.150 . 4.500 2.665 2.356 2.798 . 0 0 "[ . 1 . 2]" 4 235 1 15 ILE MD 1 25 LEU HA 3.650 . 5.500 3.256 3.030 3.396 . 0 0 "[ . 1 . 2]" 4 236 1 7 LEU HA 1 75 GLU HG3 3.650 . 5.500 4.569 3.371 5.508 0.008 4 0 "[ . 1 . 2]" 4 237 1 7 LEU HA 1 7 LEU MD2 3.650 . 5.500 3.117 2.049 4.110 . 0 0 "[ . 1 . 2]" 4 238 1 97 LYS HA 1 98 MET HA 3.650 . 5.500 4.347 4.249 4.464 . 0 0 "[ . 1 . 2]" 4 239 1 96 GLY HA2 1 97 LYS HA 3.650 . 5.500 4.589 4.495 4.722 . 0 0 "[ . 1 . 2]" 4 240 1 106 GLN HA 1 107 GLY HA2 3.650 . 5.500 5.030 4.958 5.127 . 0 0 "[ . 1 . 2]" 4 241 1 106 GLN HA 1 132 ALA MB 3.650 . 5.500 4.171 3.844 4.694 . 0 0 "[ . 1 . 2]" 4 242 1 106 GLN HA 1 108 LEU MD1 3.650 . 5.500 4.270 3.930 4.790 . 0 0 "[ . 1 . 2]" 4 243 1 108 LEU HA 1 139 ILE HG12 3.650 . 5.500 3.531 2.880 5.534 0.034 9 0 "[ . 1 . 2]" 4 244 1 76 PHE HA 1 77 ASP HA 3.650 . 5.500 4.310 4.234 4.446 . 0 0 "[ . 1 . 2]" 4 245 1 7 LEU HA 1 77 ASP HA 3.650 . 5.500 3.715 2.371 5.185 . 0 0 "[ . 1 . 2]" 4 246 1 77 ASP HA 1 78 LYS HA 3.650 . 5.500 4.381 4.238 4.995 . 0 0 "[ . 1 . 2]" 4 247 1 78 LYS QD 1 118 ASN HA 3.650 . 5.500 4.852 2.616 5.551 0.051 20 0 "[ . 1 . 2]" 4 248 1 7 LEU MD2 1 77 ASP HA 3.150 . 4.500 2.852 1.794 4.454 0.006 19 0 "[ . 1 . 2]" 4 249 1 21 ASP HA 1 22 THR HA 3.650 . 5.500 4.510 4.356 4.645 . 0 0 "[ . 1 . 2]" 4 250 1 21 ASP HA 1 35 ARG HA 3.650 . 5.500 4.958 4.411 5.516 0.016 8 0 "[ . 1 . 2]" 4 251 1 21 ASP HA 1 62 THR MG 3.650 . 5.500 4.154 3.217 5.444 . 0 0 "[ . 1 . 2]" 4 252 1 91 TYR QE 1 119 ASN HA 3.650 . 5.500 4.698 4.201 5.313 . 0 0 "[ . 1 . 2]" 4 253 1 26 MET HG3 1 30 GLN HA 3.150 . 4.500 4.132 3.428 4.557 0.057 17 0 "[ . 1 . 2]" 4 254 1 114 VAL MG1 1 119 ASN HA 3.650 . 5.500 3.203 2.461 3.667 . 0 0 "[ . 1 . 2]" 4 255 1 12 ALA HA 1 27 TYR QD 3.650 . 5.500 3.895 3.413 4.351 . 0 0 "[ . 1 . 2]" 4 256 1 12 ALA HA 1 73 GLU HA 3.650 . 5.500 5.445 5.210 5.548 0.048 10 0 "[ . 1 . 2]" 4 257 1 12 ALA HA 1 13 THR HB 3.650 . 5.500 4.583 4.496 4.712 . 0 0 "[ . 1 . 2]" 4 258 1 12 ALA HA 1 27 TYR HB2 3.650 . 5.500 4.796 4.485 5.141 . 0 0 "[ . 1 . 2]" 4 259 1 12 ALA HA 1 74 VAL MG1 3.650 . 5.500 4.541 4.204 4.878 . 0 0 "[ . 1 . 2]" 4 260 1 12 ALA HA 1 25 LEU MD2 3.650 . 5.500 4.545 4.366 4.716 . 0 0 "[ . 1 . 2]" 4 261 1 12 ALA HA 1 74 VAL MG2 3.650 . 5.500 4.698 4.197 5.047 . 0 0 "[ . 1 . 2]" 4 262 1 34 PHE QD 1 90 ALA HA 3.650 . 5.500 4.654 4.416 4.855 . 0 0 "[ . 1 . 2]" 4 263 1 89 LEU HB3 1 90 ALA HA 3.650 . 5.500 4.535 4.273 4.712 . 0 0 "[ . 1 . 2]" 4 264 1 74 VAL HB 1 90 ALA HA 3.650 . 5.500 4.647 4.406 4.990 . 0 0 "[ . 1 . 2]" 4 265 1 17 ALA HA 1 18 ILE HA 3.150 . 4.500 4.338 4.272 4.389 . 0 0 "[ . 1 . 2]" 4 266 1 82 THR HB 1 83 ASP HA 3.650 . 5.500 4.666 4.480 4.783 . 0 0 "[ . 1 . 2]" 4 267 1 40 ASP HB3 1 112 ALA HA 3.650 . 5.500 4.036 2.997 4.858 . 0 0 "[ . 1 . 2]" 4 268 1 40 ASP HB2 1 112 ALA HA 3.650 . 5.500 3.949 2.324 4.827 . 0 0 "[ . 1 . 2]" 4 269 1 112 ALA HA 1 114 VAL MG2 3.650 . 5.500 5.202 4.881 5.541 0.041 18 0 "[ . 1 . 2]" 4 270 1 69 ALA HA 1 95 ASP HB2 3.650 . 5.500 2.557 1.845 4.702 . 0 0 "[ . 1 . 2]" 4 271 1 69 ALA HA 1 70 LYS QD 3.650 . 5.500 4.691 4.100 5.194 . 0 0 "[ . 1 . 2]" 4 272 1 69 ALA HA 1 94 ALA MB 3.150 . 4.500 3.955 3.103 4.254 . 0 0 "[ . 1 . 2]" 4 273 1 104 VAL HA 1 109 ALA HA 3.650 . 5.500 4.579 4.325 4.789 . 0 0 "[ . 1 . 2]" 4 274 1 109 ALA HA 1 139 ILE MD 3.650 . 5.500 3.129 2.695 3.837 . 0 0 "[ . 1 . 2]" 4 275 1 11 PRO HA 1 11 PRO QD 3.150 . 4.500 3.379 3.318 3.455 . 0 0 "[ . 1 . 2]" 4 276 1 117 PRO HA 1 117 PRO QD 3.650 . 5.500 3.498 3.471 3.514 . 0 0 "[ . 1 . 2]" 4 277 1 79 GLY HA3 1 117 PRO QD . . 3.500 2.458 1.984 3.361 . 0 0 "[ . 1 . 2]" 4 278 1 116 LYS HA 1 117 PRO QD 3.650 . 4.500 4.029 3.938 4.086 . 0 0 "[ . 1 . 2]" 4 279 1 117 PRO HB3 1 117 PRO QD 3.650 . 5.500 3.352 2.919 3.519 . 0 0 "[ . 1 . 2]" 4 280 1 117 PRO HB2 1 117 PRO QD 3.150 . 4.500 3.230 2.898 3.569 . 0 0 "[ . 1 . 2]" 4 281 1 20 GLY HA3 1 59 SER QB 3.650 . 5.500 4.561 3.945 5.252 . 0 0 "[ . 1 . 2]" 4 282 1 20 GLY HA3 1 58 ALA MB 3.650 . 5.500 2.257 1.964 2.550 . 0 0 "[ . 1 . 2]" 4 283 1 20 GLY HA2 1 58 ALA MB 3.650 . 4.500 2.902 2.086 3.176 . 0 0 "[ . 1 . 2]" 4 284 1 20 GLY HA3 1 41 THR MG 3.650 . 5.500 2.287 1.831 3.007 . 0 0 "[ . 1 . 2]" 4 285 1 20 GLY HA2 1 41 THR MG 4.150 . 4.500 3.507 2.999 4.260 . 0 0 "[ . 1 . 2]" 4 286 1 20 GLY HA3 1 62 THR MG 4.150 . 6.500 4.867 4.554 5.485 . 0 0 "[ . 1 . 2]" 4 287 1 20 GLY HA2 1 62 THR MG 4.150 . 6.500 3.730 3.290 4.662 . 0 0 "[ . 1 . 2]" 4 288 1 20 GLY HA2 1 103 LEU MD1 3.650 . 5.500 3.886 3.369 4.565 . 0 0 "[ . 1 . 2]" 4 289 1 107 GLY HA3 1 140 TRP HD1 3.150 . 3.500 2.550 2.341 2.788 . 0 0 "[ . 1 . 2]" 4 290 1 107 GLY HA3 1 132 ALA MB 3.650 . 5.500 2.457 2.273 2.667 . 0 0 "[ . 1 . 2]" 4 291 1 107 GLY HA2 1 132 ALA MB 3.650 . 5.500 2.314 2.103 2.489 . 0 0 "[ . 1 . 2]" 4 292 1 107 GLY HA3 1 137 LEU HB3 3.650 . 5.500 2.555 2.035 3.087 . 0 0 "[ . 1 . 2]" 4 293 1 107 GLY HA2 1 137 LEU HB3 3.650 . 5.500 4.262 3.754 4.809 . 0 0 "[ . 1 . 2]" 4 294 1 107 GLY HA3 1 137 LEU MD2 3.650 . 5.500 4.354 3.742 4.782 . 0 0 "[ . 1 . 2]" 4 295 1 82 THR MG 1 86 GLY HA3 3.650 . 5.500 4.742 4.437 5.058 . 0 0 "[ . 1 . 2]" 4 296 1 82 THR MG 1 86 GLY HA2 3.650 . 5.500 3.637 3.330 3.930 . 0 0 "[ . 1 . 2]" 4 297 1 103 LEU HB2 1 103 LEU MD2 3.150 . 4.500 3.138 2.478 3.183 . 0 0 "[ . 1 . 2]" 4 298 1 12 ALA MB 1 25 LEU HB3 3.650 . 5.500 4.073 3.746 4.258 . 0 0 "[ . 1 . 2]" 4 299 1 12 ALA MB 1 25 LEU HB2 3.650 . 5.500 2.911 2.562 3.130 . 0 0 "[ . 1 . 2]" 4 300 1 79 GLY HA2 1 117 PRO HB2 3.650 . 5.500 3.575 2.597 5.126 . 0 0 "[ . 1 . 2]" 4 301 1 79 GLY HA3 1 117 PRO HB2 3.650 . 5.500 3.407 2.639 4.803 . 0 0 "[ . 1 . 2]" 4 302 1 76 PHE QE 1 88 GLY HA3 3.650 . 5.500 3.097 2.650 3.333 . 0 0 "[ . 1 . 2]" 4 303 1 76 PHE QE 1 88 GLY HA2 3.650 . 5.500 3.342 2.791 3.656 . 0 0 "[ . 1 . 2]" 4 304 1 34 PHE QD 1 88 GLY HA3 3.650 . 5.500 3.141 2.947 3.440 . 0 0 "[ . 1 . 2]" 4 305 1 34 PHE QD 1 88 GLY HA2 3.650 . 5.500 4.461 4.267 4.710 . 0 0 "[ . 1 . 2]" 4 306 1 82 THR HA 1 88 GLY HA2 3.650 . 4.500 2.325 2.007 2.572 . 0 0 "[ . 1 . 2]" 4 307 1 34 PHE HA 1 88 GLY HA2 3.650 . 5.500 4.179 4.006 4.320 . 0 0 "[ . 1 . 2]" 4 308 1 82 THR MG 1 88 GLY HA3 3.150 . 3.500 3.307 3.060 3.554 0.054 15 0 "[ . 1 . 2]" 4 309 1 82 THR MG 1 88 GLY HA2 3.650 . 5.500 2.110 1.958 2.404 . 0 0 "[ . 1 . 2]" 4 310 1 40 ASP HB3 1 110 LYS QB 3.650 . 5.500 2.954 1.832 4.423 . 0 0 "[ . 1 . 2]" 4 311 1 40 ASP HB3 1 112 ALA MB 3.150 . 4.500 2.683 2.001 3.371 . 0 0 "[ . 1 . 2]" 4 312 1 40 ASP HB2 1 112 ALA MB 3.650 . 5.500 2.059 1.817 2.466 . 0 0 "[ . 1 . 2]" 4 313 1 107 GLY HA3 1 137 LEU HB2 3.650 . 5.500 2.168 1.956 2.329 . 0 0 "[ . 1 . 2]" 4 314 1 132 ALA HA 1 137 LEU HB3 3.650 . 5.500 4.624 4.207 5.057 . 0 0 "[ . 1 . 2]" 4 315 1 107 GLY HA2 1 137 LEU HB2 3.650 . 5.500 3.586 3.373 3.817 . 0 0 "[ . 1 . 2]" 4 316 1 132 ALA HA 1 137 LEU HB2 3.650 . 5.500 3.297 2.924 3.602 . 0 0 "[ . 1 . 2]" 4 317 1 132 ALA MB 1 137 LEU HB3 3.650 . 5.500 3.796 3.360 4.215 . 0 0 "[ . 1 . 2]" 4 318 1 132 ALA MB 1 137 LEU HB2 3.650 . 5.500 2.523 2.245 2.859 . 0 0 "[ . 1 . 2]" 4 319 1 103 LEU MD1 1 108 LEU HB3 3.650 . 5.500 4.999 4.425 5.511 0.011 16 0 "[ . 1 . 2]" 4 320 1 76 PHE QD 1 81 ARG HD2 3.650 . 5.500 4.085 3.383 4.462 . 0 0 "[ . 1 . 2]" 4 321 1 76 PHE QD 1 81 ARG HD3 3.650 . 4.500 4.226 2.799 4.613 0.113 16 0 "[ . 1 . 2]" 4 322 1 76 PHE QE 1 81 ARG HD2 3.650 . 5.500 3.872 3.348 4.451 . 0 0 "[ . 1 . 2]" 4 323 1 76 PHE QE 1 81 ARG HD3 3.650 . 5.500 4.692 3.370 5.140 . 0 0 "[ . 1 . 2]" 4 324 1 81 ARG HA 1 81 ARG HD2 3.650 . 5.500 4.682 3.476 4.915 . 0 0 "[ . 1 . 2]" 4 325 1 76 PHE HB3 1 81 ARG HD2 3.650 . 5.500 4.824 2.769 5.543 0.043 13 0 "[ . 1 . 2]" 4 326 1 81 ARG HD2 1 82 THR MG 3.650 . 5.500 4.469 4.042 5.519 0.019 5 0 "[ . 1 . 2]" 4 327 1 111 VAL QG 1 126 ARG HD2 3.650 . 5.500 3.846 1.891 4.739 . 0 0 "[ . 1 . 2]" 4 328 1 111 VAL QG 1 126 ARG HD3 3.650 . 5.500 4.115 2.560 4.943 . 0 0 "[ . 1 . 2]" 4 329 1 110 LYS QB 1 110 LYS HE2 3.150 . 4.500 3.942 3.437 4.224 . 0 0 "[ . 1 . 2]" 4 330 1 110 LYS HE2 1 110 LYS HG2 3.150 . 4.500 2.754 2.437 3.734 . 0 0 "[ . 1 . 2]" 4 331 1 110 LYS HE2 1 139 ILE HG13 3.650 . 5.500 4.112 3.334 5.523 0.023 3 0 "[ . 1 . 2]" 4 332 1 110 LYS HE2 1 139 ILE MG 3.650 . 5.500 4.725 3.685 5.524 0.024 13 0 "[ . 1 . 2]" 4 333 1 110 LYS HE3 1 139 ILE MG 3.650 . 5.500 4.203 3.376 5.221 . 0 0 "[ . 1 . 2]" 4 334 1 34 PHE HB2 1 92 ILE MD 3.650 . 4.500 2.636 2.390 3.061 . 0 0 "[ . 1 . 2]" 4 335 1 104 VAL QG 1 125 LEU HB2 3.650 . 5.500 3.724 3.526 4.163 . 0 0 "[ . 1 . 2]" 4 336 1 38 LEU HB3 1 125 LEU MD1 3.650 . 5.500 2.282 2.006 2.802 . 0 0 "[ . 1 . 2]" 4 337 1 38 LEU HB3 1 111 VAL QG 3.650 . 5.500 3.125 2.570 3.617 . 0 0 "[ . 1 . 2]" 4 338 1 38 LEU HB3 1 114 VAL MG1 3.650 . 5.500 4.786 3.801 5.508 0.008 11 0 "[ . 1 . 2]" 4 339 1 76 PHE HB3 1 81 ARG HG2 3.650 . 5.500 4.898 4.487 5.450 . 0 0 "[ . 1 . 2]" 4 340 1 58 ALA HA 1 61 PHE HB3 . . 3.500 2.622 2.200 2.997 . 0 0 "[ . 1 . 2]" 4 341 1 61 PHE HB3 1 108 LEU MD2 3.650 . 5.500 3.116 2.271 3.976 . 0 0 "[ . 1 . 2]" 4 342 1 114 VAL MG1 1 119 ASN HB3 3.150 . 4.500 2.247 1.872 4.524 0.024 3 0 "[ . 1 . 2]" 4 343 1 114 VAL MG1 1 119 ASN HB2 3.650 . 5.500 2.472 2.129 3.347 . 0 0 "[ . 1 . 2]" 4 344 1 34 PHE QD 1 92 ILE MD 3.650 . 5.500 3.138 2.550 3.597 . 0 0 "[ . 1 . 2]" 4 345 1 34 PHE HB3 1 92 ILE MD 3.150 . 4.500 2.502 2.212 3.123 . 0 0 "[ . 1 . 2]" 4 346 1 92 ILE MD 1 99 VAL HB 3.650 . 5.500 4.553 4.143 5.179 . 0 0 "[ . 1 . 2]" 4 347 1 25 LEU MD2 1 92 ILE MD 3.650 . 5.500 2.399 2.120 2.816 . 0 0 "[ . 1 . 2]" 4 348 1 74 VAL MG2 1 92 ILE MD 3.650 . 5.500 4.856 4.683 5.025 . 0 0 "[ . 1 . 2]" 4 349 1 69 ALA HA 1 72 ILE MD 3.650 . 5.500 5.507 5.352 5.576 0.076 6 0 "[ . 1 . 2]" 4 350 1 67 GLU HA 1 72 ILE MD 3.650 . 5.500 3.758 3.306 4.348 . 0 0 "[ . 1 . 2]" 4 351 1 18 ILE MD 1 24 LYS HA 3.650 . 5.500 4.396 3.709 4.691 . 0 0 "[ . 1 . 2]" 4 352 1 18 ILE MD 1 23 VAL HA 3.650 . 5.500 3.899 3.397 4.214 . 0 0 "[ . 1 . 2]" 4 353 1 17 ALA HA 1 18 ILE MD 3.650 . 5.500 4.495 4.154 5.218 . 0 0 "[ . 1 . 2]" 4 354 1 18 ILE MD 1 22 THR HB 3.650 . 5.500 4.677 3.214 5.317 . 0 0 "[ . 1 . 2]" 4 355 1 139 ILE MD 1 140 TRP HZ2 3.650 . 5.500 3.422 2.945 5.247 . 0 0 "[ . 1 . 2]" 4 356 1 42 PRO HD3 1 139 ILE MD 3.650 . 5.500 3.036 2.453 4.111 . 0 0 "[ . 1 . 2]" 4 357 1 110 LYS QB 1 139 ILE MD 3.650 . 5.500 3.840 1.948 4.701 . 0 0 "[ . 1 . 2]" 4 358 1 110 LYS HG2 1 139 ILE MD 3.650 . 5.500 2.926 2.178 4.518 . 0 0 "[ . 1 . 2]" 4 359 1 15 ILE HA 1 15 ILE MD 3.150 . 4.500 3.849 3.812 3.892 . 0 0 "[ . 1 . 2]" 4 360 1 15 ILE MD 1 26 MET HG3 3.650 . 5.500 3.276 2.833 3.541 . 0 0 "[ . 1 . 2]" 4 361 1 108 LEU HA 1 139 ILE MG 3.650 . 5.500 2.401 2.037 3.259 . 0 0 "[ . 1 . 2]" 4 362 1 15 ILE MG 1 24 LYS HB3 3.150 . 4.500 3.953 3.653 4.137 . 0 0 "[ . 1 . 2]" 4 363 1 18 ILE MG 1 23 VAL HA 3.650 . 5.500 4.555 4.259 4.754 . 0 0 "[ . 1 . 2]" 4 364 1 18 ILE MG 1 22 THR HB 3.150 . 4.500 2.880 2.728 3.158 . 0 0 "[ . 1 . 2]" 4 365 1 66 VAL HB 1 72 ILE MG 3.650 . 5.500 3.367 3.156 3.534 . 0 0 "[ . 1 . 2]" 4 366 1 12 ALA MB 1 72 ILE MG 3.650 . 5.500 2.306 2.113 2.684 . 0 0 "[ . 1 . 2]" 4 367 1 72 ILE MG 1 92 ILE MD 3.650 . 5.500 3.861 3.639 4.164 . 0 0 "[ . 1 . 2]" 4 368 1 72 ILE MG 1 74 VAL MG1 3.650 . 5.500 2.937 2.704 3.174 . 0 0 "[ . 1 . 2]" 4 369 1 25 LEU MD2 1 72 ILE MG 3.650 . 5.500 2.473 2.271 2.642 . 0 0 "[ . 1 . 2]" 4 370 1 72 ILE MG 1 74 VAL MG2 3.650 . 5.500 4.617 4.392 4.876 . 0 0 "[ . 1 . 2]" 4 371 1 72 ILE HA 1 92 ILE MG 3.650 . 5.500 4.160 3.938 4.326 . 0 0 "[ . 1 . 2]" 4 372 1 92 ILE MG 1 93 TYR HB2 3.650 . 5.500 4.505 4.400 4.600 . 0 0 "[ . 1 . 2]" 4 373 1 66 VAL HB 1 92 ILE MG 3.650 . 5.500 4.273 3.841 4.530 . 0 0 "[ . 1 . 2]" 4 374 1 92 ILE MG 1 99 VAL MG2 3.650 . 5.500 2.431 2.143 2.870 . 0 0 "[ . 1 . 2]" 4 375 1 92 ILE MD 1 92 ILE MG 3.150 . 4.500 1.998 1.964 2.047 . 0 0 "[ . 1 . 2]" 4 376 1 25 LEU MD2 1 92 ILE MG 3.650 . 5.500 2.910 2.728 3.149 . 0 0 "[ . 1 . 2]" 4 377 1 74 VAL MG2 1 92 ILE MG 3.650 . 5.500 4.860 4.707 5.041 . 0 0 "[ . 1 . 2]" 4 378 1 38 LEU HB3 1 114 VAL MG2 3.650 . 5.500 3.816 2.552 4.765 . 0 0 "[ . 1 . 2]" 4 379 1 111 VAL QG 1 114 VAL MG2 3.650 . 5.500 2.806 2.444 3.365 . 0 0 "[ . 1 . 2]" 4 380 1 27 TYR QD 1 74 VAL MG1 3.650 . 5.500 3.672 3.420 3.893 . 0 0 "[ . 1 . 2]" 4 381 1 27 TYR QE 1 74 VAL MG1 3.150 . 4.500 4.466 4.304 4.529 0.029 20 0 "[ . 1 . 2]" 4 382 1 74 VAL MG1 1 76 PHE HZ 3.650 . 5.500 4.479 3.898 4.789 . 0 0 "[ . 1 . 2]" 4 383 1 34 PHE HZ 1 74 VAL MG1 3.650 . 5.500 3.514 2.923 3.828 . 0 0 "[ . 1 . 2]" 4 384 1 34 PHE HB2 1 74 VAL MG1 3.650 . 5.500 4.476 3.906 5.296 . 0 0 "[ . 1 . 2]" 4 385 1 74 VAL MG1 1 92 ILE HG12 3.650 . 5.500 1.872 1.833 1.934 . 0 0 "[ . 1 . 2]" 4 386 1 25 LEU MD2 1 74 VAL MG1 3.650 . 5.500 2.186 2.091 2.368 . 0 0 "[ . 1 . 2]" 4 387 1 27 TYR QD 1 74 VAL MG2 3.650 . 5.500 2.671 2.278 3.134 . 0 0 "[ . 1 . 2]" 4 388 1 74 VAL MG2 1 76 PHE QE 3.650 . 5.500 2.404 2.100 2.612 . 0 0 "[ . 1 . 2]" 4 389 1 27 TYR QE 1 74 VAL MG2 3.650 . 5.500 2.530 2.254 2.702 . 0 0 "[ . 1 . 2]" 4 390 1 74 VAL MG2 1 76 PHE HZ 3.650 . 5.500 2.839 2.384 3.176 . 0 0 "[ . 1 . 2]" 4 391 1 34 PHE HZ 1 74 VAL MG2 3.650 . 5.500 2.785 2.496 3.057 . 0 0 "[ . 1 . 2]" 4 392 1 74 VAL MG2 1 76 PHE HA 3.650 . 5.500 5.245 5.023 5.367 . 0 0 "[ . 1 . 2]" 4 393 1 73 GLU HB2 1 74 VAL MG2 3.650 . 5.500 5.488 5.341 5.539 0.039 2 0 "[ . 1 . 2]" 4 394 1 74 VAL MG2 1 90 ALA MB 3.650 . 5.500 3.034 2.876 3.288 . 0 0 "[ . 1 . 2]" 4 395 1 133 LYS HG3 1 140 TRP HE3 3.650 . 5.500 4.772 4.566 5.055 . 0 0 "[ . 1 . 2]" 4 396 1 129 GLU HG3 1 133 LYS HG2 3.650 . 5.500 4.603 4.367 4.862 . 0 0 "[ . 1 . 2]" 4 397 1 104 VAL QG 1 132 ALA MB 3.650 . 5.500 3.393 3.212 3.608 . 0 0 "[ . 1 . 2]" 4 398 1 58 ALA MB 1 103 LEU MD2 3.150 . 4.500 2.994 2.000 3.812 . 0 0 "[ . 1 . 2]" 4 399 1 58 ALA MB 1 108 LEU MD2 3.650 . 5.500 2.998 2.595 3.368 . 0 0 "[ . 1 . 2]" 4 400 1 128 SER HA 1 130 ALA MB 3.650 . 5.500 4.960 4.808 5.250 . 0 0 "[ . 1 . 2]" 4 401 1 130 ALA MB 1 131 GLN QG 3.650 . 5.500 4.797 3.600 5.286 . 0 0 "[ . 1 . 2]" 4 402 1 99 VAL HA 1 102 ALA MB 3.650 . 4.500 2.598 2.223 2.996 . 0 0 "[ . 1 . 2]" 4 403 1 17 ALA MB 1 59 SER HA 3.650 . 5.500 3.960 3.308 4.523 . 0 0 "[ . 1 . 2]" 4 404 1 17 ALA MB 1 63 LYS QE 3.650 . 5.500 3.924 2.985 4.780 . 0 0 "[ . 1 . 2]" 4 405 1 17 ALA MB 1 67 GLU HG3 3.650 . 5.500 4.676 3.761 5.517 0.017 20 0 "[ . 1 . 2]" 4 406 1 17 ALA MB 1 23 VAL MG1 3.150 . 4.500 2.546 2.285 2.826 . 0 0 "[ . 1 . 2]" 4 407 1 17 ALA HA 1 66 VAL MG1 4.150 . 6.500 6.180 5.395 6.517 0.017 20 0 "[ . 1 . 2]" 4 408 1 66 VAL MG1 1 99 VAL HA 3.650 . 5.500 4.912 4.553 5.400 . 0 0 "[ . 1 . 2]" 4 409 1 17 ALA MB 1 66 VAL MG1 3.650 . 5.500 4.931 4.371 5.431 . 0 0 "[ . 1 . 2]" 4 410 1 39 VAL MG2 1 100 ASN HD21 3.650 . 5.500 3.397 2.017 5.107 . 0 0 "[ . 1 . 2]" 4 411 1 39 VAL MG2 1 100 ASN HD22 3.650 . 5.500 4.277 3.020 5.564 0.064 11 0 "[ . 1 . 2]" 4 412 1 21 ASP HA 1 39 VAL MG2 3.650 . 4.500 3.637 2.691 4.584 0.084 3 0 "[ . 1 . 2]" 4 413 1 39 VAL MG2 1 100 ASN HA 3.150 . 3.500 3.425 2.884 3.563 0.063 17 0 "[ . 1 . 2]" 4 414 1 39 VAL MG2 1 100 ASN HB3 3.650 . 5.500 3.515 2.228 5.414 . 0 0 "[ . 1 . 2]" 4 415 1 21 ASP HB2 1 39 VAL MG2 3.650 . 5.500 2.830 2.210 4.263 . 0 0 "[ . 1 . 2]" 4 416 1 38 LEU HB3 1 39 VAL MG2 3.650 . 5.500 4.805 4.190 5.441 . 0 0 "[ . 1 . 2]" 4 417 1 39 VAL MG2 1 109 ALA MB 3.650 . 5.500 3.094 2.522 3.515 . 0 0 "[ . 1 . 2]" 4 418 1 23 VAL MG2 1 34 PHE QD 3.650 . 5.500 3.726 3.382 4.080 . 0 0 "[ . 1 . 2]" 4 419 1 23 VAL MG2 1 24 LYS HA 3.650 . 5.500 3.687 3.584 3.833 . 0 0 "[ . 1 . 2]" 4 420 1 23 VAL HA 1 23 VAL MG2 3.150 . 4.500 3.231 3.224 3.238 . 0 0 "[ . 1 . 2]" 4 421 1 17 ALA HA 1 23 VAL MG2 3.150 . 4.500 4.362 4.223 4.516 0.016 6 0 "[ . 1 . 2]" 4 422 1 23 VAL MG2 1 34 PHE HB3 3.150 . 4.500 3.495 3.149 3.832 . 0 0 "[ . 1 . 2]" 4 423 1 23 VAL MG2 1 92 ILE MD 3.650 . 5.500 2.151 2.004 2.339 . 0 0 "[ . 1 . 2]" 4 424 1 23 VAL MG2 1 25 LEU MD2 3.650 . 5.500 2.453 2.072 2.703 . 0 0 "[ . 1 . 2]" 4 425 1 111 VAL QG 1 112 ALA HA 3.650 . 5.500 3.796 3.579 3.951 . 0 0 "[ . 1 . 2]" 4 426 1 89 LEU HA 1 89 LEU MD2 3.150 . 4.500 2.136 2.078 2.235 . 0 0 "[ . 1 . 2]" 4 427 1 35 ARG HB3 1 89 LEU MD2 3.650 . 5.500 3.537 2.166 4.998 . 0 0 "[ . 1 . 2]" 4 428 1 72 ILE HA 1 94 ALA MB 3.650 . 5.500 4.268 3.983 4.453 . 0 0 "[ . 1 . 2]" 4 429 1 93 TYR HA 1 94 ALA MB 3.150 . 4.500 3.938 3.851 4.014 . 0 0 "[ . 1 . 2]" 4 430 1 94 ALA MB 1 97 LYS QE 3.650 . 5.500 4.606 2.792 5.519 0.019 1 0 "[ . 1 . 2]" 4 431 1 65 MET HG3 1 94 ALA MB 3.150 . 4.500 3.001 2.378 4.325 . 0 0 "[ . 1 . 2]" 4 432 1 104 VAL H 1 104 VAL QG 3.150 . 4.500 2.072 1.968 2.209 . 0 0 "[ . 1 . 2]" 4 433 1 25 LEU MD2 1 34 PHE QD 3.650 . 5.500 3.669 3.495 3.882 . 0 0 "[ . 1 . 2]" 4 434 1 25 LEU HA 1 25 LEU MD2 3.650 . 5.500 4.094 4.080 4.119 . 0 0 "[ . 1 . 2]" 4 435 1 25 LEU MD2 1 34 PHE HB2 3.650 . 5.500 3.598 3.179 4.131 . 0 0 "[ . 1 . 2]" 4 436 1 25 LEU MD2 1 74 VAL MG2 3.650 . 5.500 3.979 3.793 4.264 . 0 0 "[ . 1 . 2]" 4 437 1 61 PHE QD 1 108 LEU MD2 3.650 . 5.500 3.279 2.284 4.456 . 0 0 "[ . 1 . 2]" 4 438 1 108 LEU HA 1 108 LEU MD2 3.650 . 5.500 3.052 2.214 3.769 . 0 0 "[ . 1 . 2]" 4 439 1 58 ALA HA 1 108 LEU MD2 . . 3.500 2.319 1.941 2.824 . 0 0 "[ . 1 . 2]" 4 440 1 61 PHE HA 1 108 LEU MD2 3.650 . 5.500 4.891 4.163 5.662 0.162 2 0 "[ . 1 . 2]" 4 441 1 106 GLN HG3 1 108 LEU MD2 3.650 . 5.500 4.133 3.346 4.639 . 0 0 "[ . 1 . 2]" 4 442 1 106 GLN HG2 1 108 LEU MD2 3.650 . 5.500 4.394 3.979 4.965 . 0 0 "[ . 1 . 2]" 4 443 1 106 GLN HB3 1 108 LEU MD2 3.650 . 5.500 4.353 3.963 4.699 . 0 0 "[ . 1 . 2]" 4 444 1 103 LEU MD2 1 108 LEU MD2 3.650 . 5.500 3.817 2.749 4.608 . 0 0 "[ . 1 . 2]" 4 445 1 101 GLU HA 1 125 LEU MD1 3.650 . 5.500 4.398 4.146 4.704 . 0 0 "[ . 1 . 2]" 4 446 1 121 HIS HB3 1 125 LEU MD1 3.650 . 5.500 3.986 3.500 4.552 . 0 0 "[ . 1 . 2]" 4 447 1 100 ASN HB3 1 125 LEU MD1 3.650 . 5.500 3.186 2.138 4.904 . 0 0 "[ . 1 . 2]" 4 448 1 21 ASP HA 1 109 ALA MB 3.650 . 5.500 5.204 4.723 5.502 0.002 15 0 "[ . 1 . 2]" 4 449 1 104 VAL HA 1 109 ALA MB 3.150 . 4.500 2.601 2.226 2.771 . 0 0 "[ . 1 . 2]" 4 450 1 21 ASP HB2 1 109 ALA MB 3.650 . 5.500 5.037 3.999 5.569 0.069 19 0 "[ . 1 . 2]" 4 451 1 38 LEU MD2 1 119 ASN HA . . 3.500 2.717 1.892 3.511 0.011 6 0 "[ . 1 . 2]" 4 452 1 38 LEU MD2 1 122 GLU HA 3.150 . 4.500 3.681 1.906 4.558 0.058 3 0 "[ . 1 . 2]" 4 453 1 38 LEU MD2 1 114 VAL HA 3.650 . 5.500 4.593 3.828 5.293 . 0 0 "[ . 1 . 2]" 4 454 1 38 LEU MD2 1 114 VAL MG2 3.650 . 5.500 4.167 3.107 5.148 . 0 0 "[ . 1 . 2]" 4 455 1 25 LEU MD2 1 92 ILE HG12 3.650 . 5.500 3.370 3.081 3.615 . 0 0 "[ . 1 . 2]" 4 456 1 74 VAL MG2 1 92 ILE HG12 3.650 . 5.500 4.473 4.358 4.602 . 0 0 "[ . 1 . 2]" 4 457 1 38 LEU MD1 1 122 GLU HA 3.650 . 4.500 3.315 2.318 4.638 0.138 19 0 "[ . 1 . 2]" 4 458 1 38 LEU MD1 1 114 VAL MG2 3.650 . 4.500 2.655 1.938 3.824 . 0 0 "[ . 1 . 2]" 4 459 1 135 GLU HB2 1 137 LEU MD1 3.150 . 4.500 3.300 2.690 4.306 . 0 0 "[ . 1 . 2]" 4 460 1 7 LEU MD2 1 77 ASP HB2 3.650 . 5.500 4.308 3.166 5.559 0.059 7 0 "[ . 1 . 2]" 4 461 1 7 LEU MD2 1 75 GLU HG3 3.650 . 5.500 4.708 3.344 5.539 0.039 13 0 "[ . 1 . 2]" 4 462 1 74 VAL MG2 1 92 ILE HG13 3.650 . 5.500 5.546 5.535 5.569 0.069 5 0 "[ . 1 . 2]" 4 463 1 21 ASP HA 1 103 LEU MD2 3.650 . 5.500 5.123 3.816 5.569 0.069 15 0 "[ . 1 . 2]" 4 464 1 100 ASN HA 1 103 LEU MD2 3.650 . 5.500 4.471 3.068 4.979 . 0 0 "[ . 1 . 2]" 4 465 1 103 LEU MD2 1 108 LEU HB2 3.650 . 5.500 3.133 2.765 3.511 . 0 0 "[ . 1 . 2]" 4 466 1 14 LEU MD1 1 67 GLU HA 3.650 . 5.500 5.407 3.706 5.576 0.076 13 0 "[ . 1 . 2]" 4 467 1 14 LEU MD1 1 67 GLU HG3 3.650 . 5.500 4.745 2.884 5.075 . 0 0 "[ . 1 . 2]" 4 468 1 14 LEU MD1 1 66 VAL HB 3.150 . 4.500 3.548 2.957 4.346 . 0 0 "[ . 1 . 2]" 4 469 1 121 HIS HA 1 124 LEU MD2 3.650 . 5.500 4.751 3.652 5.436 . 0 0 "[ . 1 . 2]" 4 470 1 121 HIS HB3 1 124 LEU MD2 3.650 . 5.500 4.059 2.378 5.046 . 0 0 "[ . 1 . 2]" 4 471 1 9 LYS HG2 1 75 GLU HB3 3.650 . 5.500 4.997 3.888 5.525 0.025 14 0 "[ . 1 . 2]" 4 472 1 76 PHE QD 1 90 ALA MB 3.650 . 5.500 2.781 2.362 3.226 . 0 0 "[ . 1 . 2]" 4 473 1 75 GLU HA 1 90 ALA MB 3.650 . 5.500 3.831 3.632 4.005 . 0 0 "[ . 1 . 2]" 4 474 1 25 LEU MD2 1 90 ALA MB 3.650 . 5.500 4.713 4.462 4.872 . 0 0 "[ . 1 . 2]" 4 475 1 23 VAL MG1 1 24 LYS H 3.650 . 5.500 3.694 3.640 3.767 . 0 0 "[ . 1 . 2]" 4 476 1 23 VAL MG1 1 34 PHE HB2 3.650 . 5.500 4.848 4.543 5.159 . 0 0 "[ . 1 . 2]" 4 477 1 23 VAL MG1 1 25 LEU MD2 3.650 . 5.500 4.237 3.918 4.512 . 0 0 "[ . 1 . 2]" 4 478 1 106 GLN HA 1 137 LEU MD2 3.150 . 4.500 4.018 3.621 4.505 0.005 6 0 "[ . 1 . 2]" 4 479 1 135 GLU HB3 1 137 LEU MD2 3.650 . 5.500 2.829 2.497 3.567 . 0 0 "[ . 1 . 2]" 4 480 1 114 VAL MG1 1 115 TYR HA 3.650 . 5.500 3.725 3.414 4.038 . 0 0 "[ . 1 . 2]" 4 481 1 114 VAL MG1 1 122 GLU HA 3.650 . 5.500 4.624 3.886 5.381 . 0 0 "[ . 1 . 2]" 4 482 1 38 LEU MD1 1 114 VAL MG1 3.650 . 5.500 2.311 1.905 3.089 . 0 0 "[ . 1 . 2]" 4 483 1 107 GLY HA2 1 108 LEU MD1 3.650 . 5.500 4.725 3.992 5.524 0.024 10 0 "[ . 1 . 2]" 4 484 1 61 PHE HB3 1 108 LEU MD1 3.650 . 5.500 3.411 2.128 4.518 . 0 0 "[ . 1 . 2]" 4 485 1 108 LEU MD1 1 138 ASN HB3 3.650 . 5.500 4.762 4.310 5.385 . 0 0 "[ . 1 . 2]" 4 486 1 106 GLN HG3 1 108 LEU MD1 3.650 . 5.500 2.469 2.085 3.007 . 0 0 "[ . 1 . 2]" 4 487 1 58 ALA MB 1 108 LEU MD1 3.650 . 5.500 4.076 3.325 4.792 . 0 0 "[ . 1 . 2]" 4 488 1 14 LEU MD2 1 15 ILE H 3.650 . 5.500 3.886 1.803 4.201 . 0 0 "[ . 1 . 2]" 4 489 1 14 LEU MD2 1 25 LEU HA 3.650 . 5.500 5.316 2.977 5.566 0.066 19 0 "[ . 1 . 2]" 4 490 1 14 LEU MD2 1 67 GLU HA 3.650 . 5.500 3.612 3.115 5.441 . 0 0 "[ . 1 . 2]" 4 491 1 14 LEU MD2 1 17 ALA MB 4.150 . 6.500 2.757 2.092 3.350 . 0 0 "[ . 1 . 2]" 4 492 1 14 LEU MD2 1 25 LEU MD2 3.650 . 5.500 5.149 2.850 5.513 0.013 15 0 "[ . 1 . 2]" 4 493 1 27 TYR QD 1 28 LYS HG2 3.650 . 5.500 4.721 4.528 4.927 . 0 0 "[ . 1 . 2]" 4 494 1 27 TYR QE 1 28 LYS HG2 3.650 . 4.500 4.480 4.326 4.548 0.048 12 0 "[ . 1 . 2]" 4 495 1 22 THR MG 1 35 ARG HA 3.150 . 4.500 3.547 3.225 3.896 . 0 0 "[ . 1 . 2]" 4 496 1 39 VAL MG1 1 100 ASN HB3 3.650 . 5.500 3.196 2.301 4.614 . 0 0 "[ . 1 . 2]" 4 497 1 31 PRO HG2 1 32 MET HA 3.650 . 5.500 5.019 4.762 5.373 . 0 0 "[ . 1 . 2]" 4 498 1 15 ILE MD 1 31 PRO HG3 3.150 . 4.500 3.747 3.538 3.928 . 0 0 "[ . 1 . 2]" 4 499 1 133 LYS HB3 1 140 TRP HE3 3.650 . 5.500 5.026 4.614 5.525 0.025 16 0 "[ . 1 . 2]" 4 500 1 133 LYS HB3 1 134 LYS HA 3.650 . 5.500 4.038 3.922 4.139 . 0 0 "[ . 1 . 2]" 4 501 1 133 LYS HB2 1 134 LYS HA 3.650 . 5.500 4.357 3.995 4.503 . 0 0 "[ . 1 . 2]" 4 502 1 139 ILE HB 1 139 ILE MD 3.150 . 4.500 2.426 2.306 2.487 . 0 0 "[ . 1 . 2]" 4 503 1 74 VAL HB 1 90 ALA MB 3.650 . 5.500 2.023 1.875 2.289 . 0 0 "[ . 1 . 2]" 4 504 1 8 HIS HB3 1 8 HIS HD2 3.650 . 5.500 3.036 2.934 3.525 . 0 0 "[ . 1 . 2]" 4 505 1 8 HIS HB2 1 8 HIS HD2 3.650 . 5.500 3.953 3.874 3.987 . 0 0 "[ . 1 . 2]" 4 506 1 140 TRP HB3 1 140 TRP HD1 3.650 . 4.500 3.671 3.548 3.730 . 0 0 "[ . 1 . 2]" 4 507 1 140 TRP HB2 1 140 TRP HD1 3.150 . 3.500 2.557 2.523 2.596 . 0 0 "[ . 1 . 2]" 4 508 1 136 LYS QG 1 140 TRP HB3 3.650 . 5.500 4.035 3.573 4.587 . 0 0 "[ . 1 . 2]" 4 509 1 136 LYS QG 1 140 TRP HB2 3.650 . 5.500 4.420 4.034 4.903 . 0 0 "[ . 1 . 2]" 4 510 1 15 ILE MG 1 16 LYS HB3 3.650 . 4.500 4.314 3.116 4.528 0.028 15 0 "[ . 1 . 2]" 4 511 1 27 TYR HB3 1 32 MET HB3 3.650 . 5.500 2.801 2.402 4.212 . 0 0 "[ . 1 . 2]" 4 512 1 27 TYR HB3 1 32 MET HB2 3.650 . 5.500 3.046 2.649 3.425 . 0 0 "[ . 1 . 2]" 4 513 1 17 ALA MB 1 23 VAL HB 3.150 . 4.500 3.966 3.649 4.202 . 0 0 "[ . 1 . 2]" 4 514 1 23 VAL HB 1 92 ILE MD 3.650 . 5.500 4.406 4.244 4.632 . 0 0 "[ . 1 . 2]" 4 515 1 23 VAL HB 1 25 LEU MD2 3.650 . 5.500 3.906 3.617 4.194 . 0 0 "[ . 1 . 2]" 4 516 1 101 GLU HA 1 125 LEU HG 3.150 . 4.500 4.533 4.501 4.566 0.066 3 0 "[ . 1 . 2]" 4 517 1 27 TYR QE 1 28 LYS QD 3.650 . 4.500 3.066 2.493 3.437 . 0 0 "[ . 1 . 2]" 4 518 1 38 LEU MD1 1 118 ASN HB2 3.650 . 5.500 4.190 3.249 5.043 . 0 0 "[ . 1 . 2]" 4 519 1 38 LEU MD1 1 118 ASN HB3 3.650 . 5.500 3.853 2.771 4.721 . 0 0 "[ . 1 . 2]" 4 520 1 61 PHE QD 1 103 LEU MD1 3.650 . 4.500 4.332 2.165 4.521 0.021 15 0 "[ . 1 . 2]" 4 521 1 100 ASN HB3 1 103 LEU MD1 3.650 . 5.500 4.391 3.252 5.404 . 0 0 "[ . 1 . 2]" 4 522 1 12 ALA MB 1 27 TYR QD 3.650 . 4.500 2.775 2.111 3.102 . 0 0 "[ . 1 . 2]" 4 523 1 12 ALA MB 1 73 GLU HA 3.650 . 5.500 3.460 3.203 3.783 . 0 0 "[ . 1 . 2]" 4 524 1 12 ALA MB 1 74 VAL MG1 3.650 . 5.500 2.167 1.932 2.402 . 0 0 "[ . 1 . 2]" 4 525 1 12 ALA MB 1 74 VAL MG2 3.650 . 5.500 2.755 2.406 2.985 . 0 0 "[ . 1 . 2]" 4 526 1 15 ILE MD 1 24 LYS QE 3.650 . 5.500 3.747 3.038 5.187 . 0 0 "[ . 1 . 2]" 4 527 1 12 ALA MB 1 25 LEU MD2 3.650 . 4.500 2.191 2.043 2.305 . 0 0 "[ . 1 . 2]" 4 528 1 14 LEU HB2 1 25 LEU MD2 3.650 . 5.500 4.284 3.923 4.585 . 0 0 "[ . 1 . 2]" 4 529 1 103 LEU H 1 109 ALA MB 3.650 . 5.500 4.593 4.398 4.743 . 0 0 "[ . 1 . 2]" 4 530 1 104 VAL HA 1 104 VAL QG 3.150 . 3.500 2.119 2.089 2.133 . 0 0 "[ . 1 . 2]" 4 531 1 18 ILE HA 1 18 ILE HG13 3.150 . 4.500 3.600 3.076 3.807 . 0 0 "[ . 1 . 2]" 4 532 1 14 LEU MD2 1 66 VAL HB 3.650 . 5.500 3.525 2.934 3.973 . 0 0 "[ . 1 . 2]" 4 533 1 32 MET HG3 1 34 PHE QD 3.650 . 5.500 4.966 4.610 5.518 0.018 4 0 "[ . 1 . 2]" 4 534 1 18 ILE MD 1 24 LYS HB2 3.650 . 5.500 2.293 1.978 2.561 . 0 0 "[ . 1 . 2]" 4 535 1 101 GLU HG2 1 102 ALA H 3.150 . 4.500 3.959 3.539 4.565 0.065 1 0 "[ . 1 . 2]" 4 536 1 101 GLU HG3 1 102 ALA H 3.650 . 5.500 4.826 4.608 5.123 . 0 0 "[ . 1 . 2]" 4 537 1 114 VAL MG1 1 122 GLU QG 3.150 . 4.500 3.243 2.504 4.063 . 0 0 "[ . 1 . 2]" 4 538 1 10 GLU QG 1 27 TYR QE 3.650 . 4.500 2.861 2.479 3.654 . 0 0 "[ . 1 . 2]" 4 539 1 15 ILE MD 1 25 LEU H 3.650 . 5.500 4.124 3.869 4.329 . 0 0 "[ . 1 . 2]" 4 540 1 138 ASN HB2 1 139 ILE MG 3.150 . 4.500 3.361 2.805 4.085 . 0 0 "[ . 1 . 2]" 4 541 1 15 ILE MG 1 24 LYS QE 3.650 . 5.500 3.831 2.114 5.245 . 0 0 "[ . 1 . 2]" 4 542 1 15 ILE MG 1 16 LYS HA 3.650 . 4.500 4.083 3.944 4.231 . 0 0 "[ . 1 . 2]" 4 543 1 15 ILE MG 1 31 PRO HA 3.650 . 5.500 4.937 4.599 5.330 . 0 0 "[ . 1 . 2]" 4 544 1 92 ILE MG 1 99 VAL HB 3.650 . 5.500 3.508 3.177 3.934 . 0 0 "[ . 1 . 2]" 4 545 1 72 ILE MG 1 94 ALA HA 3.650 . 5.500 3.323 3.104 3.603 . 0 0 "[ . 1 . 2]" 4 546 1 38 LEU HA 1 114 VAL MG2 3.650 . 5.500 3.342 1.895 4.902 . 0 0 "[ . 1 . 2]" 4 547 1 114 VAL MG2 1 122 GLU QG 3.650 . 5.500 2.910 1.903 4.101 . 0 0 "[ . 1 . 2]" 4 548 1 25 LEU MD1 1 74 VAL MG1 3.650 . 5.500 2.530 2.274 2.831 . 0 0 "[ . 1 . 2]" 4 549 1 74 VAL MG2 1 75 GLU HA 3.650 . 5.500 4.088 3.898 4.239 . 0 0 "[ . 1 . 2]" 4 550 1 17 ALA MB 1 18 ILE HA 3.150 . 4.500 4.336 4.179 4.500 0.000 18 0 "[ . 1 . 2]" 4 551 1 14 LEU HA 1 14 LEU MD1 3.650 . 5.500 2.252 2.112 3.270 . 0 0 "[ . 1 . 2]" 4 552 1 99 VAL MG1 1 100 ASN H 3.650 . 5.500 3.419 3.144 3.715 . 0 0 "[ . 1 . 2]" 4 553 1 99 VAL MG2 1 100 ASN H 3.650 . 5.500 3.645 3.469 3.766 . 0 0 "[ . 1 . 2]" 4 554 1 12 ALA MB 1 27 TYR QE 3.650 . 5.500 4.300 3.707 4.670 . 0 0 "[ . 1 . 2]" 4 555 1 39 VAL MG1 1 100 ASN HB2 3.650 . 5.500 3.951 1.883 5.180 . 0 0 "[ . 1 . 2]" 4 556 1 104 VAL QG 1 129 GLU HG3 3.650 . 5.500 3.164 2.955 3.385 . 0 0 "[ . 1 . 2]" 4 557 1 133 LYS HE3 1 133 LYS HG2 3.150 . 4.500 3.072 2.643 3.844 . 0 0 "[ . 1 . 2]" 4 558 1 129 GLU HG3 1 133 LYS HG3 3.150 . 4.500 3.451 3.201 3.774 . 0 0 "[ . 1 . 2]" 4 559 1 110 LYS HE3 1 139 ILE MD 3.650 . 5.500 2.480 1.946 3.703 . 0 0 "[ . 1 . 2]" 4 560 1 73 GLU H 1 92 ILE MG 3.650 . 5.500 3.574 3.444 3.680 . 0 0 "[ . 1 . 2]" 4 561 1 15 ILE H 1 15 ILE MG 3.650 . 5.500 3.813 3.772 3.982 . 0 0 "[ . 1 . 2]" 4 562 1 60 ALA MB 1 64 LYS H 3.650 . 5.500 4.336 4.092 4.483 . 0 0 "[ . 1 . 2]" 4 563 1 74 VAL MG1 1 92 ILE HA 3.150 . 4.500 3.137 2.950 3.258 . 0 0 "[ . 1 . 2]" 4 564 1 23 VAL MG2 1 24 LYS H 3.650 . 5.500 3.488 3.306 3.782 . 0 0 "[ . 1 . 2]" 4 565 1 14 LEU HA 1 23 VAL MG2 3.650 . 5.500 4.937 4.644 5.340 . 0 0 "[ . 1 . 2]" 4 566 1 83 ASP HB2 1 89 LEU MD2 3.650 . 5.500 2.042 1.863 2.804 . 0 0 "[ . 1 . 2]" 4 567 1 110 LYS HE3 1 140 TRP HH2 3.650 . 5.500 4.837 3.390 5.408 . 0 0 "[ . 1 . 2]" 4 568 1 108 LEU HB2 1 109 ALA HA 3.650 . 5.500 4.852 4.533 5.238 . 0 0 "[ . 1 . 2]" 4 569 1 38 LEU MD1 1 116 LYS HA 3.650 . 5.500 5.219 4.501 5.515 0.015 1 0 "[ . 1 . 2]" 4 570 1 10 GLU HB3 1 74 VAL MG1 3.650 . 5.500 5.483 5.303 5.534 0.034 3 0 "[ . 1 . 2]" 4 571 1 41 THR MG 1 42 PRO HD3 3.650 . 5.500 3.461 2.974 3.771 . 0 0 "[ . 1 . 2]" 4 572 1 41 THR MG 1 42 PRO HD2 3.650 . 5.500 3.404 2.789 3.954 . 0 0 "[ . 1 . 2]" 4 573 1 42 PRO HD2 1 58 ALA MB 3.650 . 5.500 2.942 2.004 4.536 . 0 0 "[ . 1 . 2]" 4 574 1 42 PRO HD3 1 58 ALA MB 3.650 . 5.500 3.915 2.883 4.862 . 0 0 "[ . 1 . 2]" 4 575 1 122 GLU QG 1 126 ARG HD2 3.650 . 5.500 3.562 2.607 4.283 . 0 0 "[ . 1 . 2]" 4 576 1 122 GLU QG 1 126 ARG HD3 3.650 . 5.500 4.728 3.425 5.541 0.041 11 0 "[ . 1 . 2]" 4 577 1 82 THR HA 1 82 THR HB 2.300 . 2.800 2.546 2.503 2.599 . 0 0 "[ . 1 . 2]" 4 578 1 82 THR HB 1 86 GLY HA3 3.150 . 4.500 4.451 4.217 4.579 0.079 15 0 "[ . 1 . 2]" 4 579 1 82 THR HB 1 86 GLY HA2 2.650 . 3.500 2.798 2.533 3.000 . 0 0 "[ . 1 . 2]" 4 580 1 13 THR HB 1 26 MET H 3.150 . 4.500 3.614 3.401 3.769 . 0 0 "[ . 1 . 2]" 4 581 1 13 THR HA 1 13 THR HB 2.650 . 3.500 3.044 3.033 3.056 . 0 0 "[ . 1 . 2]" 4 582 1 13 THR HB 1 26 MET HB3 2.650 . 3.500 2.295 2.003 2.656 . 0 0 "[ . 1 . 2]" 4 583 1 13 THR HB 1 13 THR MG 2.300 . 2.800 2.149 2.144 2.157 . 0 0 "[ . 1 . 2]" 4 584 1 22 THR HA 1 22 THR HB 2.650 . 3.500 3.024 2.986 3.044 . 0 0 "[ . 1 . 2]" 4 585 1 18 ILE HB 1 22 THR HB 2.650 . 3.500 2.411 2.032 2.821 . 0 0 "[ . 1 . 2]" 4 586 1 18 ILE HG13 1 22 THR HB 3.150 . 4.500 4.370 3.885 4.551 0.051 4 0 "[ . 1 . 2]" 4 587 1 120 THR HA 1 120 THR MG 2.650 . 3.500 2.334 2.248 2.416 . 0 0 "[ . 1 . 2]" 4 588 1 20 GLY HA2 1 62 THR HB 3.150 . 4.500 3.232 2.544 4.050 . 0 0 "[ . 1 . 2]" 4 589 1 33 THR HB 1 87 ARG HA 2.650 . 3.500 3.143 2.735 3.364 . 0 0 "[ . 1 . 2]" 4 590 1 62 THR HA 1 62 THR MG . . 2.800 2.402 2.343 2.471 . 0 0 "[ . 1 . 2]" 4 591 1 7 LEU MD2 1 120 THR HB 3.150 . 4.500 2.817 1.926 3.916 . 0 0 "[ . 1 . 2]" 4 592 1 98 MET QB 1 99 VAL HA 3.650 . 5.500 4.961 4.567 5.114 . 0 0 "[ . 1 . 2]" 4 593 1 139 ILE HA 1 139 ILE HB 2.650 . 3.500 2.446 2.403 2.489 . 0 0 "[ . 1 . 2]" 4 594 1 139 ILE HA 1 139 ILE HG13 3.150 . 4.500 3.509 2.261 3.755 . 0 0 "[ . 1 . 2]" 4 595 1 139 ILE HA 1 139 ILE MG 3.150 . 3.500 2.487 2.282 3.234 . 0 0 "[ . 1 . 2]" 4 596 1 139 ILE HA 1 139 ILE HG12 3.150 . 4.500 3.668 3.155 3.790 . 0 0 "[ . 1 . 2]" 4 597 1 104 VAL HA 1 104 VAL HB 2.650 . 3.500 3.036 3.024 3.053 . 0 0 "[ . 1 . 2]" 4 598 1 24 LYS HA 1 33 THR HA 2.650 . 3.500 2.043 1.886 2.221 . 0 0 "[ . 1 . 2]" 4 599 1 24 LYS HB2 1 33 THR HA 3.150 . 4.500 3.405 3.201 3.528 . 0 0 "[ . 1 . 2]" 4 600 1 15 ILE HA 1 15 ILE HG13 2.650 . 3.500 3.080 2.990 3.169 . 0 0 "[ . 1 . 2]" 4 601 1 66 VAL HA 1 66 VAL HB 2.300 . 2.800 2.477 2.440 2.519 . 0 0 "[ . 1 . 2]" 4 602 1 66 VAL HA 1 69 ALA MB 3.150 . 4.500 2.266 1.955 2.546 . 0 0 "[ . 1 . 2]" 4 603 1 128 SER HA 1 128 SER HB3 2.300 . 2.800 2.500 2.446 2.608 . 0 0 "[ . 1 . 2]" 4 604 1 128 SER HA 1 128 SER HB2 2.650 . 3.500 3.006 2.989 3.024 . 0 0 "[ . 1 . 2]" 4 605 1 128 SER HA 1 131 GLN HB3 3.150 . 3.500 2.994 2.464 3.617 0.117 11 0 "[ . 1 . 2]" 4 606 1 128 SER HA 1 131 GLN HB2 2.650 . 3.500 2.748 2.206 3.433 . 0 0 "[ . 1 . 2]" 4 607 1 4 THR HA 1 4 THR MG 2.650 . 3.500 2.550 2.218 3.273 . 0 0 "[ . 1 . 2]" 4 608 1 18 ILE HA 1 18 ILE HG12 2.650 . 3.500 2.973 2.434 3.196 . 0 0 "[ . 1 . 2]" 4 609 1 18 ILE HA 1 18 ILE MG 2.650 . 3.500 2.453 2.375 2.509 . 0 0 "[ . 1 . 2]" 4 610 1 125 LEU HA 1 128 SER HB2 2.650 . 3.500 2.448 2.101 2.720 . 0 0 "[ . 1 . 2]" 4 611 1 104 VAL HB 1 128 SER HB2 2.650 . 3.500 2.841 2.559 3.401 . 0 0 "[ . 1 . 2]" 4 612 1 59 SER HA 1 59 SER QB 2.300 . 2.800 2.309 2.170 2.396 . 0 0 "[ . 1 . 2]" 4 613 1 122 GLU HA 1 122 GLU QG 2.650 . 3.500 2.989 2.452 3.520 0.020 14 0 "[ . 1 . 2]" 4 614 1 38 LEU HB2 1 122 GLU HA 3.150 . 4.500 4.466 3.683 4.563 0.063 9 0 "[ . 1 . 2]" 4 615 1 13 THR HA 1 72 ILE HB 2.650 . 3.500 2.907 2.648 3.230 . 0 0 "[ . 1 . 2]" 4 616 1 13 THR HA 1 13 THR MG 2.650 . 3.500 2.381 2.318 2.448 . 0 0 "[ . 1 . 2]" 4 617 1 23 VAL HA 1 23 VAL HB 2.650 . 2.800 2.482 2.460 2.509 . 0 0 "[ . 1 . 2]" 4 618 1 74 VAL HA 1 92 ILE HA 3.150 . 4.500 2.346 2.237 2.476 . 0 0 "[ . 1 . 2]" 4 619 1 126 ARG HA 1 129 GLU HB3 2.650 . 3.500 2.680 2.269 3.341 . 0 0 "[ . 1 . 2]" 4 620 1 126 ARG HA 1 126 ARG HB2 2.650 . 3.500 2.923 2.567 3.047 . 0 0 "[ . 1 . 2]" 4 621 1 17 ALA MB 1 63 LYS HA 3.150 . 3.500 2.626 2.280 3.000 . 0 0 "[ . 1 . 2]" 4 622 1 63 LYS HA 1 66 VAL MG1 3.150 . 4.500 4.245 3.920 4.450 . 0 0 "[ . 1 . 2]" 4 623 1 101 GLU HA 1 125 LEU HA 3.150 . 4.500 3.680 3.465 4.056 . 0 0 "[ . 1 . 2]" 4 624 1 101 GLU HA 1 101 GLU HG3 2.650 . 3.500 2.909 2.502 3.531 0.031 3 0 "[ . 1 . 2]" 4 625 1 101 GLU HA 1 101 GLU HB3 2.650 . 3.500 3.017 2.999 3.031 . 0 0 "[ . 1 . 2]" 4 626 1 101 GLU HA 1 125 LEU MD2 2.650 . 3.500 2.044 1.958 2.168 . 0 0 "[ . 1 . 2]" 4 627 1 133 LYS HA 1 140 TRP HB3 2.650 . 3.500 2.500 2.081 2.841 . 0 0 "[ . 1 . 2]" 4 628 1 133 LYS HA 1 140 TRP HB2 2.650 . 3.500 3.184 2.688 3.421 . 0 0 "[ . 1 . 2]" 4 629 1 133 LYS HA 1 133 LYS HB3 2.650 . 3.500 2.535 2.464 2.568 . 0 0 "[ . 1 . 2]" 4 630 1 133 LYS HA 1 133 LYS HG2 2.650 . 3.500 2.539 2.451 2.660 . 0 0 "[ . 1 . 2]" 4 631 1 136 LYS HA 1 141 SER HA 3.150 . 4.500 3.674 2.992 4.124 . 0 0 "[ . 1 . 2]" 4 632 1 136 LYS HB3 1 141 SER HA 2.300 . 2.800 2.246 1.882 2.784 . 0 0 "[ . 1 . 2]" 4 633 1 136 LYS HB2 1 141 SER HA 3.150 . 4.500 3.733 3.250 4.511 0.011 4 0 "[ . 1 . 2]" 4 634 1 127 LYS HA 1 127 LYS QB 2.300 . 2.800 2.232 2.160 2.345 . 0 0 "[ . 1 . 2]" 4 635 1 127 LYS HA 1 127 LYS HG3 3.150 . 4.500 3.488 2.594 3.881 . 0 0 "[ . 1 . 2]" 4 636 1 127 LYS HA 1 130 ALA MB 2.650 . 3.500 2.716 2.433 2.940 . 0 0 "[ . 1 . 2]" 4 637 1 61 PHE HA 1 61 PHE HB3 2.650 . 3.500 3.017 3.002 3.024 . 0 0 "[ . 1 . 2]" 4 638 1 61 PHE HA 1 61 PHE HB2 2.650 . 3.500 2.504 2.434 2.568 . 0 0 "[ . 1 . 2]" 4 639 1 99 VAL HA 1 99 VAL MG1 3.150 . 4.500 2.403 2.320 2.464 . 0 0 "[ . 1 . 2]" 4 640 1 99 VAL HA 1 99 VAL MG2 3.150 . 4.500 2.429 2.369 2.491 . 0 0 "[ . 1 . 2]" 4 641 1 15 ILE HA 1 15 ILE HG12 2.650 . 3.500 2.560 2.484 2.654 . 0 0 "[ . 1 . 2]" 4 642 1 15 ILE HA 1 15 ILE MG 2.650 . 3.500 2.446 2.380 2.503 . 0 0 "[ . 1 . 2]" 4 643 1 136 LYS HB2 1 141 SER QB 3.150 . 4.500 4.442 3.514 4.601 0.101 7 0 "[ . 1 . 2]" 4 644 1 19 ASP HA 1 59 SER QB 3.150 . 4.500 2.490 2.101 3.087 . 0 0 "[ . 1 . 2]" 4 645 1 74 VAL HA 1 92 ILE HG13 3.150 . 4.500 4.034 3.856 4.194 . 0 0 "[ . 1 . 2]" 4 646 1 63 LYS HA 1 63 LYS HG3 2.650 . 3.500 2.614 2.518 2.785 . 0 0 "[ . 1 . 2]" 4 647 1 101 GLU HA 1 101 GLU HB2 2.650 . 3.500 2.485 2.419 2.524 . 0 0 "[ . 1 . 2]" 4 648 1 127 LYS HA 1 127 LYS HD2 3.150 . 4.500 4.261 3.612 4.587 0.087 4 0 "[ . 1 . 2]" 4 649 1 61 PHE HA 1 64 LYS H 3.150 . 4.500 3.685 3.337 4.021 . 0 0 "[ . 1 . 2]" 4 650 1 64 LYS HA 1 66 VAL H 3.150 . 4.500 4.508 4.345 4.613 0.113 11 0 "[ . 1 . 2]" 4 651 1 64 LYS HA 1 65 MET H 2.650 . 3.500 3.520 3.474 3.541 0.041 19 0 "[ . 1 . 2]" 4 652 1 123 GLN HA 1 126 ARG HD3 3.150 . 4.500 3.833 3.062 4.437 . 0 0 "[ . 1 . 2]" 4 653 1 67 GLU HA 1 67 GLU HG3 2.650 . 3.500 3.128 3.057 3.194 . 0 0 "[ . 1 . 2]" 4 654 1 65 MET H 1 65 MET HA 2.650 . 3.500 2.852 2.833 2.881 . 0 0 "[ . 1 . 2]" 4 655 1 65 MET HA 1 65 MET HG3 3.150 . 4.500 3.777 3.706 3.860 . 0 0 "[ . 1 . 2]" 4 656 1 131 GLN HA 1 131 GLN QG 2.650 . 2.800 2.461 2.242 2.667 . 0 0 "[ . 1 . 2]" 4 657 1 131 GLN HA 1 131 GLN HB3 2.650 . 3.500 2.956 2.678 3.024 . 0 0 "[ . 1 . 2]" 4 658 1 125 LEU HA 1 125 LEU MD2 2.650 . 3.500 2.011 1.916 2.075 . 0 0 "[ . 1 . 2]" 4 659 1 124 LEU HA 1 127 LYS QB 3.150 . 4.500 3.792 2.703 4.549 0.049 11 0 "[ . 1 . 2]" 4 660 1 124 LEU HA 1 124 LEU MD1 3.150 . 4.500 2.896 2.053 3.336 . 0 0 "[ . 1 . 2]" 4 661 1 81 ARG HA 1 81 ARG HB2 2.300 . 2.800 2.459 2.377 2.629 . 0 0 "[ . 1 . 2]" 4 662 1 81 ARG HA 1 81 ARG HG2 2.650 . 3.500 3.305 3.134 3.579 0.079 5 0 "[ . 1 . 2]" 4 663 1 76 PHE QD 1 81 ARG HA 3.150 . 4.500 2.753 2.387 3.096 . 0 0 "[ . 1 . 2]" 4 664 1 70 LYS HA 1 70 LYS HB3 2.650 . 2.800 2.480 2.373 2.584 . 0 0 "[ . 1 . 2]" 4 665 1 70 LYS HA 1 70 LYS HB2 2.650 . 3.500 3.009 2.992 3.022 . 0 0 "[ . 1 . 2]" 4 666 1 70 LYS HA 1 70 LYS QD . . 2.800 2.046 1.927 2.202 . 0 0 "[ . 1 . 2]" 4 667 1 70 LYS HA 1 70 LYS HG2 2.650 . 3.500 3.092 2.864 3.450 . 0 0 "[ . 1 . 2]" 4 668 1 72 ILE HA 1 94 ALA HA 2.650 . 3.500 2.753 2.641 2.942 . 0 0 "[ . 1 . 2]" 4 669 1 72 ILE HA 1 72 ILE HG13 3.150 . 4.500 3.116 3.035 3.175 . 0 0 "[ . 1 . 2]" 4 670 1 72 ILE HA 1 72 ILE HG12 2.650 . 3.500 2.478 2.412 2.542 . 0 0 "[ . 1 . 2]" 4 671 1 92 ILE HA 1 93 TYR HA 3.150 . 4.500 4.338 4.275 4.402 . 0 0 "[ . 1 . 2]" 4 672 1 92 ILE HA 1 92 ILE HG12 3.150 . 4.500 2.442 2.385 2.501 . 0 0 "[ . 1 . 2]" 4 673 1 82 THR HA 1 89 LEU HG 2.650 . 3.500 2.617 2.383 2.972 . 0 0 "[ . 1 . 2]" 4 674 1 82 THR HA 1 82 THR MG 2.650 . 3.500 2.311 2.258 2.371 . 0 0 "[ . 1 . 2]" 4 675 1 27 TYR HA 1 27 TYR QD 2.650 . 3.500 2.481 2.345 2.666 . 0 0 "[ . 1 . 2]" 4 676 1 93 TYR HA 1 98 MET HA 2.650 . 3.500 2.205 2.033 2.745 . 0 0 "[ . 1 . 2]" 4 677 1 27 TYR HA 1 27 TYR HB3 2.650 . 3.500 3.022 3.014 3.031 . 0 0 "[ . 1 . 2]" 4 678 1 27 TYR HA 1 27 TYR HB2 2.300 . 2.800 2.428 2.383 2.467 . 0 0 "[ . 1 . 2]" 4 679 1 12 ALA MB 1 27 TYR HA 3.150 . 4.500 3.181 2.779 3.661 . 0 0 "[ . 1 . 2]" 4 680 1 9 LYS HA 1 75 GLU HA 2.650 . 3.500 2.157 2.032 2.347 . 0 0 "[ . 1 . 2]" 4 681 1 9 LYS HA 1 10 GLU HA 3.150 . 4.500 4.373 4.318 4.479 . 0 0 "[ . 1 . 2]" 4 682 1 8 HIS HA 1 9 LYS HA 3.150 . 4.500 4.349 4.290 4.421 . 0 0 "[ . 1 . 2]" 4 683 1 9 LYS HA 1 9 LYS HB3 2.650 . 3.500 2.584 2.430 2.737 . 0 0 "[ . 1 . 2]" 4 684 1 9 LYS HA 1 9 LYS HB2 2.650 . 3.500 2.966 2.914 2.986 . 0 0 "[ . 1 . 2]" 4 685 1 9 LYS HA 1 9 LYS HG3 2.650 . 3.500 2.386 2.210 2.767 . 0 0 "[ . 1 . 2]" 4 686 1 9 LYS HA 1 9 LYS HG2 2.650 . 3.500 3.245 2.458 3.551 0.051 7 0 "[ . 1 . 2]" 4 687 1 24 LYS HA 1 24 LYS QG 3.150 . 4.500 2.334 2.276 2.387 . 0 0 "[ . 1 . 2]" 4 688 1 100 ASN HA 1 100 ASN HB3 2.650 . 3.500 2.461 2.315 3.019 . 0 0 "[ . 1 . 2]" 4 689 1 100 ASN HA 1 100 ASN HB2 2.650 . 3.500 2.896 2.472 3.040 . 0 0 "[ . 1 . 2]" 4 690 1 148 GLY QA 1 149 GLN HA 3.150 . 4.500 3.951 3.869 4.092 . 0 0 "[ . 1 . 2]" 4 691 1 79 GLY HA2 1 80 GLN HA 3.150 . 4.500 4.406 4.264 4.598 0.098 9 0 "[ . 1 . 2]" 4 692 1 138 ASN HA 1 138 ASN HB3 2.650 . 3.500 2.450 2.377 2.502 . 0 0 "[ . 1 . 2]" 4 693 1 98 MET HA 1 98 MET QG 3.150 . 4.500 2.700 2.337 3.555 . 0 0 "[ . 1 . 2]" 4 694 1 138 ASN HA 1 138 ASN HB2 2.650 . 3.500 2.834 2.403 3.018 . 0 0 "[ . 1 . 2]" 4 695 1 103 LEU HA 1 103 LEU HG 3.150 . 4.500 3.214 2.301 3.329 . 0 0 "[ . 1 . 2]" 4 696 1 103 LEU HA 1 103 LEU HB2 2.650 . 3.500 3.015 2.986 3.024 . 0 0 "[ . 1 . 2]" 4 697 1 103 LEU HA 1 103 LEU MD1 3.150 . 4.500 3.793 2.725 3.882 . 0 0 "[ . 1 . 2]" 4 698 1 28 LYS HA 1 28 LYS HB3 2.300 . 2.800 2.490 2.449 2.562 . 0 0 "[ . 1 . 2]" 4 699 1 28 LYS HA 1 28 LYS QD 3.150 . 4.500 4.001 3.920 4.222 . 0 0 "[ . 1 . 2]" 4 700 1 28 LYS HA 1 28 LYS HB2 2.650 . 3.500 3.024 3.012 3.034 . 0 0 "[ . 1 . 2]" 4 701 1 28 LYS HA 1 28 LYS HG3 2.650 . 3.500 3.114 3.005 3.241 . 0 0 "[ . 1 . 2]" 4 702 1 28 LYS HA 1 28 LYS HG2 2.650 . 2.800 2.505 2.408 2.587 . 0 0 "[ . 1 . 2]" 4 703 1 136 LYS HA 1 140 TRP HB3 2.650 . 3.500 2.857 2.506 3.390 . 0 0 "[ . 1 . 2]" 4 704 1 133 LYS HA 1 136 LYS HA 3.150 . 4.500 3.685 3.259 4.073 . 0 0 "[ . 1 . 2]" 4 705 1 136 LYS HA 1 140 TRP HB2 2.650 . 3.500 2.448 2.148 3.000 . 0 0 "[ . 1 . 2]" 4 706 1 136 LYS HA 1 136 LYS HB3 2.650 . 3.500 2.446 2.347 2.572 . 0 0 "[ . 1 . 2]" 4 707 1 136 LYS HA 1 136 LYS HB2 2.650 . 3.500 3.032 3.008 3.048 . 0 0 "[ . 1 . 2]" 4 708 1 136 LYS HA 1 136 LYS QG 2.650 . 3.500 2.441 2.316 2.594 . 0 0 "[ . 1 . 2]" 4 709 1 132 ALA HA 1 133 LYS H 2.650 . 3.500 3.510 3.489 3.525 0.025 15 0 "[ . 1 . 2]" 4 710 1 132 ALA H 1 132 ALA HA 2.650 . 3.500 2.804 2.777 2.820 . 0 0 "[ . 1 . 2]" 4 711 1 107 GLY HA3 1 132 ALA HA 3.150 . 4.500 4.402 4.087 4.576 0.076 20 0 "[ . 1 . 2]" 4 712 1 116 LYS HA 1 117 PRO HA 2.300 . 2.800 2.441 2.121 2.606 . 0 0 "[ . 1 . 2]" 4 713 1 116 LYS HA 1 118 ASN HB2 3.150 . 4.500 4.089 3.452 4.539 0.039 13 0 "[ . 1 . 2]" 4 714 1 116 LYS HA 1 116 LYS HG3 2.300 . 2.800 2.808 2.538 2.845 0.045 2 0 "[ . 1 . 2]" 4 715 1 116 LYS HA 1 116 LYS HG2 2.650 . 2.800 2.536 2.328 2.905 0.105 13 0 "[ . 1 . 2]" 4 716 1 132 ALA HA 1 137 LEU MD1 3.150 . 4.500 2.841 1.912 4.509 0.009 20 0 "[ . 1 . 2]" 4 717 1 58 ALA HA 1 61 PHE HB2 3.150 . 4.500 3.330 2.965 3.875 . 0 0 "[ . 1 . 2]" 4 718 1 58 ALA HA 1 108 LEU HB2 2.650 . 3.500 3.518 3.459 3.561 0.061 1 0 "[ . 1 . 2]" 4 719 1 137 LEU HA 1 137 LEU HG 3.150 . 4.500 3.260 2.777 3.755 . 0 0 "[ . 1 . 2]" 4 720 1 137 LEU HA 1 137 LEU HB2 2.650 . 3.500 2.992 2.965 3.022 . 0 0 "[ . 1 . 2]" 4 721 1 137 LEU HA 1 137 LEU MD2 2.650 . 3.500 2.206 1.939 2.670 . 0 0 "[ . 1 . 2]" 4 722 1 130 ALA HA 1 130 ALA MB 2.300 . 2.800 2.136 2.129 2.143 . 0 0 "[ . 1 . 2]" 4 723 1 130 ALA HA 1 133 LYS HD3 3.150 . 4.500 3.839 3.461 4.228 . 0 0 "[ . 1 . 2]" 4 724 1 130 ALA HA 1 133 LYS HD2 2.650 . 3.500 2.387 2.053 2.664 . 0 0 "[ . 1 . 2]" 4 725 1 130 ALA HA 1 133 LYS HB2 2.650 . 3.500 2.535 2.325 2.747 . 0 0 "[ . 1 . 2]" 4 726 1 95 ASP HA 1 95 ASP HB2 2.300 . 2.800 2.572 2.411 2.680 . 0 0 "[ . 1 . 2]" 4 727 1 95 ASP HA 1 95 ASP HB3 2.650 . 3.500 2.919 2.348 3.039 . 0 0 "[ . 1 . 2]" 4 728 1 142 GLU HA 1 142 GLU HG2 2.650 . 3.500 2.879 2.416 3.572 0.072 11 0 "[ . 1 . 2]" 4 729 1 142 GLU HA 1 142 GLU HB3 2.300 . 2.800 2.458 2.320 2.596 . 0 0 "[ . 1 . 2]" 4 730 1 16 LYS HA 1 16 LYS HB3 2.650 . 2.800 2.577 2.335 2.925 0.125 13 0 "[ . 1 . 2]" 4 731 1 32 MET HA 1 32 MET HG3 2.650 . 2.800 2.401 2.282 2.672 . 0 0 "[ . 1 . 2]" 4 732 1 71 LYS HA 1 71 LYS HB3 2.300 . 2.800 2.401 2.306 2.453 . 0 0 "[ . 1 . 2]" 4 733 1 71 LYS HA 1 71 LYS HG2 3.150 . 4.500 3.823 3.662 3.961 . 0 0 "[ . 1 . 2]" 4 734 1 8 HIS HA 1 8 HIS HB3 2.300 . 2.800 2.461 2.413 2.504 . 0 0 "[ . 1 . 2]" 4 735 1 8 HIS HA 1 8 HIS HB2 2.300 . 2.800 2.451 2.392 2.498 . 0 0 "[ . 1 . 2]" 4 736 1 140 TRP HA 1 140 TRP HE3 2.300 . 2.800 2.467 2.128 2.692 . 0 0 "[ . 1 . 2]" 4 737 1 115 TYR HA 1 115 TYR QD 2.650 . 3.500 2.708 2.268 2.979 . 0 0 "[ . 1 . 2]" 4 738 1 115 TYR HA 1 115 TYR QB 2.650 . 3.500 2.374 2.318 2.418 . 0 0 "[ . 1 . 2]" 4 739 1 26 MET HA 1 26 MET HG3 2.650 . 3.500 2.536 2.436 2.662 . 0 0 "[ . 1 . 2]" 4 740 1 26 MET HA 1 26 MET HG2 2.650 . 3.500 3.094 2.996 3.170 . 0 0 "[ . 1 . 2]" 4 741 1 26 MET HA 1 26 MET HB2 2.650 . 3.500 2.527 2.452 2.605 . 0 0 "[ . 1 . 2]" 4 742 1 15 ILE MD 1 26 MET HA 3.150 . 4.500 2.618 2.477 2.813 . 0 0 "[ . 1 . 2]" 4 743 1 121 HIS HA 1 121 HIS HB3 2.300 . 2.800 2.510 2.409 2.619 . 0 0 "[ . 1 . 2]" 4 744 1 121 HIS HA 1 121 HIS HB2 2.650 . 3.500 3.028 3.005 3.057 . 0 0 "[ . 1 . 2]" 4 745 1 121 HIS HA 1 124 LEU HB2 2.650 . 3.500 3.317 2.796 3.552 0.052 16 0 "[ . 1 . 2]" 4 746 1 11 PRO HA 1 73 GLU HA 2.650 . 2.800 2.729 2.257 2.851 0.051 9 0 "[ . 1 . 2]" 4 747 1 73 GLU HA 1 73 GLU HG2 2.300 . 2.800 2.659 2.512 2.798 . 0 0 "[ . 1 . 2]" 4 748 1 73 GLU HA 1 73 GLU HB2 2.650 . 3.500 3.027 3.005 3.053 . 0 0 "[ . 1 . 2]" 4 749 1 110 LYS HA 1 129 GLU HG3 3.150 . 4.500 3.166 2.699 3.427 . 0 0 "[ . 1 . 2]" 4 750 1 110 LYS HA 1 110 LYS QB 2.300 . 2.800 2.341 2.258 2.409 . 0 0 "[ . 1 . 2]" 4 751 1 110 LYS HA 1 110 LYS HG3 2.650 . 3.500 3.038 2.347 3.321 . 0 0 "[ . 1 . 2]" 4 752 1 110 LYS HA 1 110 LYS HG2 2.650 . 3.500 2.924 2.613 3.632 0.132 6 0 "[ . 1 . 2]" 4 753 1 10 GLU HA 1 11 PRO QD 2.300 . 2.800 2.095 2.014 2.190 . 0 0 "[ . 1 . 2]" 4 754 1 10 GLU HA 1 10 GLU HB2 2.650 . 3.500 3.031 3.013 3.040 . 0 0 "[ . 1 . 2]" 4 755 1 89 LEU HA 1 89 LEU HB2 2.650 . 3.500 3.023 3.005 3.066 . 0 0 "[ . 1 . 2]" 4 756 1 140 TRP HA 1 140 TRP HB3 2.650 . 3.500 2.447 2.420 2.470 . 0 0 "[ . 1 . 2]" 4 757 1 7 LEU HA 1 7 LEU MD1 3.150 . 4.500 3.490 1.943 4.090 . 0 0 "[ . 1 . 2]" 4 758 1 97 LYS HA 1 97 LYS HB3 2.650 . 3.500 2.501 2.417 2.646 . 0 0 "[ . 1 . 2]" 4 759 1 67 GLU HB3 1 68 ASN HA 3.150 . 4.500 4.443 4.338 4.532 0.032 3 0 "[ . 1 . 2]" 4 760 1 106 GLN HA 1 106 GLN HG3 3.150 . 4.500 3.017 2.814 3.125 . 0 0 "[ . 1 . 2]" 4 761 1 106 GLN HA 1 106 GLN HG2 3.150 . 4.500 3.759 3.711 3.808 . 0 0 "[ . 1 . 2]" 4 762 1 106 GLN HA 1 106 GLN HB2 2.300 . 2.800 2.510 2.479 2.550 . 0 0 "[ . 1 . 2]" 4 763 1 106 GLN HA 1 137 LEU MD1 2.650 . 3.500 2.410 1.894 3.210 . 0 0 "[ . 1 . 2]" 4 764 1 118 ASN HA 1 118 ASN HB3 2.300 . 2.800 2.550 2.490 2.874 0.074 13 0 "[ . 1 . 2]" 4 765 1 7 LEU MD1 1 77 ASP HA 2.650 . 3.500 2.853 1.890 3.674 0.174 4 0 "[ . 1 . 2]" 4 766 1 30 GLN HA 1 31 PRO QD 2.300 . 2.800 2.008 1.939 2.065 . 0 0 "[ . 1 . 2]" 4 767 1 30 GLN HA 1 30 GLN QG 2.650 . 3.500 3.402 3.323 3.507 0.007 14 0 "[ . 1 . 2]" 4 768 1 38 LEU MD1 1 119 ASN HA 2.650 . 3.500 2.336 1.932 3.128 . 0 0 "[ . 1 . 2]" 4 769 1 12 ALA HA 1 12 ALA MB 2.300 . 2.800 2.128 2.119 2.134 . 0 0 "[ . 1 . 2]" 4 770 1 73 GLU H 1 94 ALA HA 3.150 . 4.500 3.898 3.662 4.080 . 0 0 "[ . 1 . 2]" 4 771 1 72 ILE HG13 1 94 ALA HA 3.150 . 4.500 4.413 4.150 4.526 0.026 19 0 "[ . 1 . 2]" 4 772 1 69 ALA MB 1 94 ALA HA 3.150 . 4.500 2.567 2.290 2.716 . 0 0 "[ . 1 . 2]" 4 773 1 17 ALA HA 1 23 VAL HA 2.300 . 2.800 2.526 2.149 2.818 0.018 17 0 "[ . 1 . 2]" 4 774 1 17 ALA HA 1 23 VAL HB 2.650 . 3.500 2.915 2.679 3.219 . 0 0 "[ . 1 . 2]" 4 775 1 17 ALA HA 1 23 VAL MG1 2.650 . 3.500 2.281 2.111 2.392 . 0 0 "[ . 1 . 2]" 4 776 1 83 ASP HA 1 83 ASP HB2 2.300 . 2.800 2.428 2.296 2.630 . 0 0 "[ . 1 . 2]" 4 777 1 83 ASP HA 1 89 LEU HG 3.150 . 4.500 3.445 2.449 4.057 . 0 0 "[ . 1 . 2]" 4 778 1 83 ASP HA 1 89 LEU MD2 3.150 . 4.500 3.278 2.286 4.050 . 0 0 "[ . 1 . 2]" 4 779 1 68 ASN HB3 1 69 ALA HA 3.150 . 4.500 4.482 4.333 4.549 0.049 6 0 "[ . 1 . 2]" 4 780 1 69 ALA HA 1 70 LYS HG2 3.150 . 4.500 3.876 3.529 4.170 . 0 0 "[ . 1 . 2]" 4 781 1 69 ALA HA 1 69 ALA MB 2.300 . 2.800 2.113 2.102 2.123 . 0 0 "[ . 1 . 2]" 4 782 1 31 PRO HA 1 31 PRO QD 3.150 . 4.500 3.392 3.256 3.478 . 0 0 "[ . 1 . 2]" 4 783 1 31 PRO QD 1 31 PRO HG2 2.300 . 2.800 2.215 2.168 2.245 . 0 0 "[ . 1 . 2]" 4 784 1 11 PRO HB3 1 11 PRO QD 2.650 . 3.500 2.900 2.839 2.998 . 0 0 "[ . 1 . 2]" 4 785 1 79 GLY HA2 1 117 PRO QD 3.150 . 4.500 3.334 2.681 4.550 0.050 13 0 "[ . 1 . 2]" 4 786 1 117 PRO QD 1 117 PRO HG3 2.650 . 3.500 2.217 2.181 2.269 . 0 0 "[ . 1 . 2]" 4 787 1 117 PRO QD 1 117 PRO HG2 2.650 . 3.500 2.182 2.077 2.233 . 0 0 "[ . 1 . 2]" 4 788 1 103 LEU HB2 1 109 ALA MB 3.150 . 4.500 2.568 2.372 2.826 . 0 0 "[ . 1 . 2]" 4 789 1 79 GLY HA2 1 117 PRO HG3 3.150 . 4.500 3.931 3.246 4.582 0.082 13 0 "[ . 1 . 2]" 4 790 1 79 GLY HA3 1 117 PRO HG3 3.150 . 4.500 4.057 3.267 4.460 . 0 0 "[ . 1 . 2]" 4 791 1 79 GLY HA2 1 117 PRO HG2 3.150 . 4.500 2.423 1.943 3.196 . 0 0 "[ . 1 . 2]" 4 792 1 40 ASP HA 1 40 ASP HB2 . . 2.800 2.476 2.360 2.581 . 0 0 "[ . 1 . 2]" 4 793 1 14 LEU HB3 1 14 LEU HG 2.650 . 3.500 2.553 2.446 2.583 . 0 0 "[ . 1 . 2]" 4 794 1 77 ASP HB3 1 118 ASN HA 2.650 . 3.500 2.721 2.333 3.702 0.202 9 0 "[ . 1 . 2]" 4 795 1 77 ASP HA 1 77 ASP HB2 2.650 . 3.500 2.607 2.445 2.653 . 0 0 "[ . 1 . 2]" 4 796 1 81 ARG HB2 1 81 ARG HD3 2.300 . 2.800 2.363 2.296 2.835 0.035 5 0 "[ . 1 . 2]" 4 797 1 81 ARG HB2 1 81 ARG HD2 2.650 . 3.500 3.498 2.440 3.576 0.076 8 0 "[ . 1 . 2]" 4 798 1 81 ARG HD3 1 81 ARG HG2 2.650 . 3.500 2.979 2.541 3.020 . 0 0 "[ . 1 . 2]" 4 799 1 81 ARG HD2 1 81 ARG HG2 2.650 . 3.500 2.470 2.402 2.982 . 0 0 "[ . 1 . 2]" 4 800 1 126 ARG HB2 1 126 ARG HD2 2.300 . 2.800 2.404 2.170 2.743 . 0 0 "[ . 1 . 2]" 4 801 1 126 ARG HB2 1 126 ARG HD3 2.300 . 2.800 2.808 2.605 2.869 0.069 9 0 "[ . 1 . 2]" 4 802 1 110 LYS QB 1 110 LYS HE3 3.150 . 4.500 3.805 2.061 4.384 . 0 0 "[ . 1 . 2]" 4 803 1 110 LYS QD 1 110 LYS HE3 2.300 . 2.800 2.320 2.154 2.395 . 0 0 "[ . 1 . 2]" 4 804 1 110 LYS QD 1 110 LYS HE2 2.650 . 3.500 2.309 2.113 2.379 . 0 0 "[ . 1 . 2]" 4 805 1 110 LYS HE3 1 110 LYS HG2 2.650 . 3.500 3.118 2.462 3.582 0.082 6 0 "[ . 1 . 2]" 4 806 1 27 TYR HB3 1 27 TYR QD 3.150 . 3.500 2.276 2.232 2.327 . 0 0 "[ . 1 . 2]" 4 807 1 24 LYS QE 1 24 LYS QG 2.300 . 2.800 2.308 2.119 2.438 . 0 0 "[ . 1 . 2]" 4 808 1 71 LYS QE 1 71 LYS HG2 2.650 . 3.500 2.669 2.377 3.498 . 0 0 "[ . 1 . 2]" 4 809 1 93 TYR HB2 1 93 TYR QD 3.150 . 3.500 2.536 2.478 2.631 . 0 0 "[ . 1 . 2]" 4 810 1 124 LEU HB3 1 124 LEU HG 2.650 . 3.500 2.465 2.418 2.524 . 0 0 "[ . 1 . 2]" 4 811 1 7 LEU HA 1 7 LEU QB . . 2.800 2.289 2.124 2.495 . 0 0 "[ . 1 . 2]" 4 812 1 7 LEU QB 1 75 GLU HG3 3.150 . 4.500 2.946 2.515 4.076 . 0 0 "[ . 1 . 2]" 4 813 1 9 LYS HD3 1 9 LYS HE3 2.650 . 3.500 2.768 2.329 3.037 . 0 0 "[ . 1 . 2]" 4 814 1 9 LYS HD3 1 9 LYS HE2 2.650 . 3.500 2.658 2.372 3.036 . 0 0 "[ . 1 . 2]" 4 815 1 9 LYS HD2 1 9 LYS HE3 2.300 . 2.800 2.474 2.357 2.936 0.136 3 0 "[ . 1 . 2]" 4 816 1 9 LYS HD2 1 9 LYS HE2 2.650 . 3.500 2.761 2.341 3.029 . 0 0 "[ . 1 . 2]" 4 817 1 9 LYS HE3 1 9 LYS HG2 3.150 . 4.500 3.121 2.416 3.706 . 0 0 "[ . 1 . 2]" 4 818 1 9 LYS HE2 1 9 LYS HG2 3.150 . 4.500 2.935 2.423 3.717 . 0 0 "[ . 1 . 2]" 4 819 1 144 ASN HA 1 144 ASN HB3 2.650 . 3.500 2.663 2.387 3.040 . 0 0 "[ . 1 . 2]" 4 820 1 76 PHE HB3 1 81 ARG HD3 3.150 . 4.500 4.328 2.234 4.558 0.058 20 0 "[ . 1 . 2]" 4 821 1 119 ASN HA 1 119 ASN HB3 2.650 . 2.800 2.508 2.385 2.946 0.146 3 0 "[ . 1 . 2]" 4 822 1 119 ASN HA 1 119 ASN HB2 2.650 . 2.800 2.412 2.287 2.491 . 0 0 "[ . 1 . 2]" 4 823 1 72 ILE MD 1 94 ALA HA 3.150 . 4.500 4.303 4.050 4.514 0.014 19 0 "[ . 1 . 2]" 4 824 1 66 VAL HB 1 72 ILE MD 2.650 . 2.800 2.128 1.881 2.625 . 0 0 "[ . 1 . 2]" 4 825 1 69 ALA MB 1 72 ILE MD 3.150 . 4.500 2.879 2.633 3.052 . 0 0 "[ . 1 . 2]" 4 826 1 18 ILE HA 1 18 ILE MD 3.150 . 4.500 2.523 2.026 3.836 . 0 0 "[ . 1 . 2]" 4 827 1 18 ILE HB 1 18 ILE MD 3.150 . 4.500 3.062 2.442 3.262 . 0 0 "[ . 1 . 2]" 4 828 1 18 ILE MD 1 18 ILE HG12 2.300 . 2.800 2.119 2.106 2.126 . 0 0 "[ . 1 . 2]" 4 829 1 139 ILE MD 1 139 ILE MG 3.150 . 4.500 1.942 1.876 2.081 . 0 0 "[ . 1 . 2]" 4 830 1 139 ILE HG13 1 139 ILE MG 3.150 . 4.500 3.202 3.137 3.220 . 0 0 "[ . 1 . 2]" 4 831 1 18 ILE HG13 1 18 ILE MG 3.150 . 4.500 2.546 2.301 3.207 . 0 0 "[ . 1 . 2]" 4 832 1 72 ILE HG12 1 72 ILE MG 2.650 . 3.500 2.453 2.396 2.514 . 0 0 "[ . 1 . 2]" 4 833 1 72 ILE MD 1 72 ILE MG 3.150 . 3.500 1.919 1.841 1.964 . 0 0 "[ . 1 . 2]" 4 834 1 92 ILE HA 1 92 ILE MG 3.150 . 4.500 2.430 2.403 2.454 . 0 0 "[ . 1 . 2]" 4 835 1 10 GLU HB2 1 74 VAL MG1 3.150 . 4.500 4.402 4.239 4.555 0.055 13 0 "[ . 1 . 2]" 4 836 1 133 LYS HD3 1 133 LYS HG3 2.650 . 3.500 3.014 2.987 3.027 . 0 0 "[ . 1 . 2]" 4 837 1 133 LYS HD3 1 133 LYS HG2 2.650 . 3.500 2.507 2.439 2.602 . 0 0 "[ . 1 . 2]" 4 838 1 132 ALA MB 1 140 TRP HD1 2.650 . 3.500 2.138 2.026 2.264 . 0 0 "[ . 1 . 2]" 4 839 1 58 ALA MB 1 109 ALA HA 3.150 . 4.500 4.263 3.842 4.556 0.056 15 0 "[ . 1 . 2]" 4 840 1 58 ALA MB 1 108 LEU HB3 2.300 . 2.800 2.242 1.865 2.651 . 0 0 "[ . 1 . 2]" 4 841 1 66 VAL MG1 1 99 VAL HB 3.150 . 4.500 4.111 3.782 4.510 0.010 1 0 "[ . 1 . 2]" 4 842 1 66 VAL MG1 1 66 VAL MG2 2.650 . 3.500 2.072 2.051 2.084 . 0 0 "[ . 1 . 2]" 4 843 1 66 VAL HB 1 94 ALA MB 3.150 . 4.500 3.771 3.395 4.201 . 0 0 "[ . 1 . 2]" 4 844 1 69 ALA MB 1 94 ALA MB 3.150 . 4.500 1.938 1.852 2.083 . 0 0 "[ . 1 . 2]" 4 845 1 38 LEU MD2 1 125 LEU MD1 3.150 . 4.500 3.135 2.002 3.859 . 0 0 "[ . 1 . 2]" 4 846 1 39 VAL HB 1 109 ALA MB 2.650 . 3.500 2.269 1.938 3.119 . 0 0 "[ . 1 . 2]" 4 847 1 103 LEU HB3 1 109 ALA MB 3.150 . 4.500 2.101 1.998 2.206 . 0 0 "[ . 1 . 2]" 4 848 1 38 LEU MD1 1 114 VAL HA 2.650 . 3.500 2.870 1.966 3.532 0.032 12 0 "[ . 1 . 2]" 4 849 1 137 LEU HB3 1 137 LEU MD1 3.150 . 4.500 2.392 2.320 2.486 . 0 0 "[ . 1 . 2]" 4 850 1 72 ILE HG12 1 94 ALA HA 3.150 . 4.500 2.932 2.651 3.117 . 0 0 "[ . 1 . 2]" 4 851 1 69 ALA MB 1 72 ILE HG12 3.150 . 4.500 2.374 2.101 2.583 . 0 0 "[ . 1 . 2]" 4 852 1 34 PHE QD 1 90 ALA MB 2.650 . 3.500 2.229 1.976 2.530 . 0 0 "[ . 1 . 2]" 4 853 1 23 VAL MG1 1 62 THR HB 3.150 . 4.500 3.689 3.397 4.192 . 0 0 "[ . 1 . 2]" 4 854 1 114 VAL HA 1 114 VAL MG1 2.650 . 3.500 2.403 2.325 2.485 . 0 0 "[ . 1 . 2]" 4 855 1 108 LEU HA 1 108 LEU MD1 3.150 . 4.500 3.488 2.974 3.864 . 0 0 "[ . 1 . 2]" 4 856 1 61 PHE HB2 1 108 LEU MD1 3.150 . 4.500 3.363 2.298 4.346 . 0 0 "[ . 1 . 2]" 4 857 1 106 GLN HG2 1 108 LEU MD1 3.150 . 4.500 2.643 2.255 2.890 . 0 0 "[ . 1 . 2]" 4 858 1 14 LEU HA 1 14 LEU MD2 3.150 . 4.500 3.821 2.177 3.938 . 0 0 "[ . 1 . 2]" 4 859 1 28 LYS QE 1 28 LYS HG2 3.150 . 4.500 2.651 2.263 3.318 . 0 0 "[ . 1 . 2]" 4 860 1 30 GLN HA 1 31 PRO HG2 3.150 . 4.500 4.369 4.212 4.510 0.010 10 0 "[ . 1 . 2]" 4 861 1 31 PRO QD 1 31 PRO HG3 2.650 . 3.500 2.180 2.172 2.187 . 0 0 "[ . 1 . 2]" 4 862 1 15 ILE MD 1 31 PRO HG2 3.150 . 4.500 4.432 4.299 4.532 0.032 10 0 "[ . 1 . 2]" 4 863 1 133 LYS HA 1 133 LYS HB2 2.650 . 3.500 2.995 2.983 3.007 . 0 0 "[ . 1 . 2]" 4 864 1 133 LYS HB3 1 133 LYS HD3 2.650 . 3.500 2.451 2.354 2.539 . 0 0 "[ . 1 . 2]" 4 865 1 133 LYS HB2 1 133 LYS HD3 3.150 . 4.500 2.916 2.720 3.105 . 0 0 "[ . 1 . 2]" 4 866 1 133 LYS HB3 1 133 LYS HD2 3.150 . 4.500 3.149 2.844 3.288 . 0 0 "[ . 1 . 2]" 4 867 1 133 LYS HD2 1 133 LYS HG3 2.300 . 2.800 2.403 2.312 2.509 . 0 0 "[ . 1 . 2]" 4 868 1 133 LYS HD2 1 133 LYS HG2 2.650 . 3.500 3.018 2.997 3.042 . 0 0 "[ . 1 . 2]" 4 869 1 140 TRP HA 1 140 TRP HB2 2.650 . 3.500 3.033 3.019 3.060 . 0 0 "[ . 1 . 2]" 4 870 1 142 GLU HA 1 142 GLU HG3 3.150 . 4.500 3.213 2.374 4.267 . 0 0 "[ . 1 . 2]" 4 871 1 101 GLU HA 1 101 GLU HG2 2.300 . 2.800 2.657 2.273 2.889 0.089 13 0 "[ . 1 . 2]" 4 872 1 71 LYS HA 1 71 LYS HB2 2.300 . 2.800 2.491 2.415 2.598 . 0 0 "[ . 1 . 2]" 4 873 1 71 LYS HB2 1 95 ASP HA 3.150 . 4.500 4.421 3.985 4.608 0.108 1 0 "[ . 1 . 2]" 4 874 1 71 LYS HB2 1 71 LYS HG3 2.300 . 2.800 2.487 2.320 2.680 . 0 0 "[ . 1 . 2]" 4 875 1 71 LYS HB2 1 71 LYS HG2 2.650 . 3.500 2.941 2.495 3.028 . 0 0 "[ . 1 . 2]" 4 876 1 32 MET HB2 1 34 PHE QD 3.650 . 5.500 4.987 3.446 5.278 . 0 0 "[ . 1 . 2]" 4 877 1 32 MET HB3 1 34 PHE QD 3.150 . 4.500 3.447 2.730 3.743 . 0 0 "[ . 1 . 2]" 4 878 1 32 MET HA 1 32 MET HB3 2.650 . 3.500 2.996 2.656 3.026 . 0 0 "[ . 1 . 2]" 4 879 1 32 MET HA 1 32 MET HB2 2.650 . 3.500 2.507 2.429 2.956 . 0 0 "[ . 1 . 2]" 4 880 1 32 MET HB2 1 32 MET HG3 2.650 . 3.500 2.413 2.366 2.479 . 0 0 "[ . 1 . 2]" 4 881 1 125 LEU H 1 125 LEU HG 2.650 . 3.500 2.241 2.137 2.361 . 0 0 "[ . 1 . 2]" 4 882 1 110 LYS HE3 1 110 LYS HG3 3.150 . 4.500 2.819 2.294 3.816 . 0 0 "[ . 1 . 2]" 4 883 1 41 THR HA 1 41 THR HB 2.650 . 3.500 2.541 2.457 2.646 . 0 0 "[ . 1 . 2]" 4 884 1 117 PRO HA 1 117 PRO HG2 3.150 . 4.500 4.003 3.793 4.080 . 0 0 "[ . 1 . 2]" 4 885 1 116 LYS QB 1 117 PRO HA 2.650 . 3.500 2.141 1.918 3.289 . 0 0 "[ . 1 . 2]" 4 886 1 117 PRO HA 1 117 PRO HB3 2.650 . 3.500 2.261 2.235 2.315 . 0 0 "[ . 1 . 2]" 4 887 1 11 PRO HA 1 11 PRO HB2 2.300 . 2.800 2.720 2.689 2.752 . 0 0 "[ . 1 . 2]" 4 888 1 11 PRO HA 1 11 PRO HB3 2.300 . 2.800 2.300 2.286 2.314 . 0 0 "[ . 1 . 2]" 4 889 1 15 ILE HB 1 15 ILE MD 2.650 . 3.500 2.457 2.433 2.481 . 0 0 "[ . 1 . 2]" 4 890 1 15 ILE MD 1 24 LYS HB3 3.150 . 4.500 4.307 4.048 4.522 0.022 17 0 "[ . 1 . 2]" 4 891 1 10 GLU HA 1 10 GLU QG 2.650 . 3.500 2.995 2.402 3.104 . 0 0 "[ . 1 . 2]" 4 892 1 131 GLN HA 1 131 GLN HB2 2.300 . 2.800 2.641 2.471 2.881 0.081 17 0 "[ . 1 . 2]" 4 893 1 125 LEU MD1 1 125 LEU HG 2.300 . 2.800 2.117 2.103 2.130 . 0 0 "[ . 1 . 2]" 4 894 1 9 LYS HG2 1 73 GLU HB2 2.300 . 2.800 2.756 2.470 2.877 0.077 4 0 "[ . 1 . 2]" 4 895 1 101 GLU HG3 1 124 LEU MD2 2.650 . 3.500 3.340 2.352 3.561 0.061 17 0 "[ . 1 . 2]" 4 896 1 12 ALA MB 1 26 MET H 3.150 . 4.500 4.003 3.723 4.354 . 0 0 "[ . 1 . 2]" 4 897 1 18 ILE HA 1 18 ILE HB 2.650 . 3.500 3.030 3.007 3.039 . 0 0 "[ . 1 . 2]" 4 898 1 31 PRO HA 1 31 PRO HB2 2.300 . 2.800 2.734 2.683 2.780 . 0 0 "[ . 1 . 2]" 4 899 1 31 PRO HA 1 32 MET H 2.300 . 2.800 2.189 2.151 2.219 . 0 0 "[ . 1 . 2]" 4 900 1 15 ILE MD 1 31 PRO HA 2.650 . 3.500 2.362 2.131 2.684 . 0 0 "[ . 1 . 2]" 4 901 1 114 VAL HA 1 114 VAL MG2 3.150 . 3.500 2.386 2.326 2.434 . 0 0 "[ . 1 . 2]" 4 902 1 63 LYS H 1 63 LYS HA 2.650 . 3.500 2.763 2.747 2.787 . 0 0 "[ . 1 . 2]" 4 903 1 126 ARG HA 1 126 ARG QG 2.650 . 3.500 2.349 2.185 2.494 . 0 0 "[ . 1 . 2]" 4 904 1 65 MET HA 1 65 MET QB 2.300 . 2.800 2.198 2.137 2.358 . 0 0 "[ . 1 . 2]" 4 905 1 129 GLU HA 1 129 GLU HG3 2.650 . 3.500 2.558 2.392 2.664 . 0 0 "[ . 1 . 2]" 4 906 1 110 LYS HA 1 140 TRP HZ2 2.650 . 3.500 2.559 2.179 3.122 . 0 0 "[ . 1 . 2]" 4 907 1 30 GLN HA 1 30 GLN HB3 2.300 . 2.800 2.426 2.331 2.522 . 0 0 "[ . 1 . 2]" 4 908 1 116 LYS HA 1 116 LYS QB 2.300 . 2.800 2.415 2.373 2.493 . 0 0 "[ . 1 . 2]" 4 909 1 135 GLU HA 1 135 GLU HB3 2.300 . 2.800 2.450 2.412 2.494 . 0 0 "[ . 1 . 2]" 4 910 1 135 GLU HA 1 135 GLU HG2 2.300 . 2.800 2.549 2.377 2.836 0.036 10 0 "[ . 1 . 2]" 4 911 1 135 GLU HA 1 135 GLU HG3 2.650 . 3.500 3.302 3.150 3.609 0.109 10 0 "[ . 1 . 2]" 4 912 1 6 LYS HA 1 6 LYS HB3 2.300 . 2.800 2.530 2.346 2.929 0.129 7 0 "[ . 1 . 2]" 4 913 1 126 ARG HD2 1 126 ARG QG 2.650 . 3.500 2.291 2.211 2.457 . 0 0 "[ . 1 . 2]" 4 914 1 126 ARG HD3 1 126 ARG QG 2.650 . 3.500 2.357 2.221 2.480 . 0 0 "[ . 1 . 2]" 4 915 1 106 GLN HA 1 106 GLN HB3 2.650 . 3.500 3.016 2.993 3.033 . 0 0 "[ . 1 . 2]" 4 916 1 143 ASP HA 1 143 ASP HB3 2.650 . 3.500 3.000 2.456 3.060 . 0 0 "[ . 1 . 2]" 4 917 1 142 GLU HA 1 142 GLU HB2 2.650 . 3.500 2.985 2.573 3.025 . 0 0 "[ . 1 . 2]" 4 918 1 30 GLN HB2 1 31 PRO QD 2.650 . 3.500 2.615 2.269 3.211 . 0 0 "[ . 1 . 2]" 4 919 1 129 GLU HA 1 129 GLU HB3 2.650 . 3.500 3.031 3.004 3.053 . 0 0 "[ . 1 . 2]" 4 920 1 30 GLN HA 1 30 GLN HB2 2.300 . 2.800 2.489 2.432 2.562 . 0 0 "[ . 1 . 2]" 4 921 1 30 GLN HB3 1 30 GLN QG 2.300 . 2.800 2.299 2.155 2.443 . 0 0 "[ . 1 . 2]" 4 922 1 30 GLN HB2 1 30 GLN QG 2.300 . 2.800 2.351 2.131 2.422 . 0 0 "[ . 1 . 2]" 4 923 1 64 LYS H 1 64 LYS HB2 2.300 . 2.800 2.403 2.163 2.578 . 0 0 "[ . 1 . 2]" 4 924 1 31 PRO HA 1 31 PRO HB3 2.650 . 3.500 2.309 2.289 2.323 . 0 0 "[ . 1 . 2]" 4 925 1 32 MET HA 1 32 MET HG2 2.650 . 3.500 3.073 2.437 3.164 . 0 0 "[ . 1 . 2]" 4 926 1 5 LYS HA 1 5 LYS HB2 2.650 . 3.500 2.727 2.439 3.078 . 0 0 "[ . 1 . 2]" 4 927 1 24 LYS HB3 1 24 LYS QG 2.300 . 2.800 2.328 2.277 2.365 . 0 0 "[ . 1 . 2]" 4 928 1 24 LYS HB2 1 24 LYS QG 2.300 . 2.800 2.357 2.282 2.429 . 0 0 "[ . 1 . 2]" 4 929 1 101 GLU H 1 101 GLU HG2 3.150 . 4.500 4.375 4.269 4.450 . 0 0 "[ . 1 . 2]" 4 930 1 101 GLU HG3 1 125 LEU HA 3.150 . 4.500 4.085 3.393 4.507 0.007 3 0 "[ . 1 . 2]" 4 931 1 101 GLU HG3 1 124 LEU HG 3.150 . 4.500 3.885 2.091 4.583 0.083 20 0 "[ . 1 . 2]" 4 932 1 101 GLU HG3 1 125 LEU MD2 2.650 . 3.500 3.212 2.762 3.528 0.028 3 0 "[ . 1 . 2]" 4 933 1 101 GLU HB2 1 101 GLU HG2 2.650 . 3.500 2.870 2.557 3.012 . 0 0 "[ . 1 . 2]" 4 934 1 101 GLU HB2 1 101 GLU HG3 2.300 . 2.800 2.312 2.188 2.402 . 0 0 "[ . 1 . 2]" 4 935 1 32 MET H 1 32 MET HB3 3.150 . 4.500 2.734 2.558 3.653 . 0 0 "[ . 1 . 2]" 4 936 1 67 GLU H 1 67 GLU HG2 2.650 . 3.500 3.497 3.344 3.539 0.039 6 0 "[ . 1 . 2]" 4 937 1 67 GLU HB2 1 67 GLU HG3 2.300 . 2.800 2.392 2.345 2.419 . 0 0 "[ . 1 . 2]" 4 938 1 72 ILE HB 1 72 ILE HG13 2.300 . 2.800 2.416 2.374 2.450 . 0 0 "[ . 1 . 2]" 4 939 1 72 ILE HB 1 72 ILE HG12 2.650 . 3.500 3.016 3.009 3.028 . 0 0 "[ . 1 . 2]" 4 940 1 15 ILE HG13 1 15 ILE MG 2.650 . 3.500 3.212 3.201 3.218 . 0 0 "[ . 1 . 2]" 4 941 1 15 ILE HB 1 15 ILE MG 2.300 . 2.800 2.135 2.127 2.143 . 0 0 "[ . 1 . 2]" 4 942 1 72 ILE HG13 1 72 ILE MG 3.150 . 4.500 3.210 3.200 3.218 . 0 0 "[ . 1 . 2]" 4 943 1 66 VAL HA 1 66 VAL MG1 3.150 . 4.500 2.350 2.285 2.438 . 0 0 "[ . 1 . 2]" 4 944 1 114 VAL HB 1 114 VAL MG2 2.300 . 2.800 2.127 2.117 2.137 . 0 0 "[ . 1 . 2]" 4 945 1 25 LEU HA 1 25 LEU HB2 2.650 . 3.500 2.513 2.480 2.546 . 0 0 "[ . 1 . 2]" 4 946 1 66 VAL HA 1 72 ILE MD 3.150 . 4.500 3.313 3.067 3.609 . 0 0 "[ . 1 . 2]" 4 947 1 125 LEU MD2 1 125 LEU HG 2.300 . 2.800 2.117 2.102 2.128 . 0 0 "[ . 1 . 2]" 4 948 1 125 LEU HB2 1 125 LEU MD2 2.650 . 3.500 3.191 3.163 3.209 . 0 0 "[ . 1 . 2]" 4 949 1 38 LEU HA 1 38 LEU MD1 2.300 . 2.800 2.285 2.053 2.791 . 0 0 "[ . 1 . 2]" 4 950 1 28 LYS HB2 1 28 LYS HG2 2.650 . 3.500 3.013 3.002 3.026 . 0 0 "[ . 1 . 2]" 4 951 1 28 LYS HB3 1 28 LYS HG2 2.650 . 3.500 2.483 2.441 2.524 . 0 0 "[ . 1 . 2]" 4 952 1 132 ALA HA 1 132 ALA MB 2.300 . 2.800 2.119 2.108 2.132 . 0 0 "[ . 1 . 2]" 4 953 1 80 GLN HA 1 80 GLN HB3 2.300 . 2.800 2.461 2.358 2.556 . 0 0 "[ . 1 . 2]" 4 954 1 80 GLN HA 1 80 GLN HB2 2.650 . 3.500 2.761 2.337 3.028 . 0 0 "[ . 1 . 2]" 4 955 1 80 GLN HB3 1 80 GLN HG3 2.650 . 3.500 2.993 2.966 3.024 . 0 0 "[ . 1 . 2]" 4 956 1 80 GLN HB2 1 80 GLN HG3 2.650 . 3.500 2.393 2.298 2.457 . 0 0 "[ . 1 . 2]" 4 957 1 126 ARG H 1 126 ARG HB3 3.150 . 4.500 3.430 2.562 3.667 . 0 0 "[ . 1 . 2]" 4 958 1 125 LEU HG 1 126 ARG H 3.150 . 4.500 4.358 4.142 4.528 0.028 18 0 "[ . 1 . 2]" 4 959 1 133 LYS HD3 1 133 LYS HE2 2.650 . 3.500 2.531 2.351 3.026 . 0 0 "[ . 1 . 2]" 4 960 1 133 LYS HD2 1 133 LYS HE2 2.650 . 3.500 2.904 2.456 3.017 . 0 0 "[ . 1 . 2]" 4 961 1 133 LYS HD2 1 133 LYS HE3 2.650 . 3.500 2.457 2.288 2.521 . 0 0 "[ . 1 . 2]" 4 962 1 129 GLU HB2 1 129 GLU HG3 2.300 . 2.800 2.410 2.332 2.451 . 0 0 "[ . 1 . 2]" 4 963 1 68 ASN HA 1 68 ASN HB3 2.300 . 2.800 2.566 2.520 2.616 . 0 0 "[ . 1 . 2]" 4 964 1 144 ASN HA 1 144 ASN HB2 2.650 . 3.500 2.720 2.390 3.049 . 0 0 "[ . 1 . 2]" 4 965 1 18 ILE HB 1 33 THR MG 3.150 . 4.500 3.972 3.560 4.352 . 0 0 "[ . 1 . 2]" 4 966 1 75 GLU HA 1 75 GLU HG2 2.650 . 3.500 3.120 3.034 3.296 . 0 0 "[ . 1 . 2]" 4 967 1 75 GLU HA 1 75 GLU HG3 2.650 . 3.500 2.568 2.486 2.700 . 0 0 "[ . 1 . 2]" 4 968 1 75 GLU HA 1 75 GLU HB3 2.650 . 3.500 3.007 2.988 3.026 . 0 0 "[ . 1 . 2]" 4 969 1 133 LYS HE2 1 133 LYS HG3 3.150 . 4.500 3.071 2.495 3.348 . 0 0 "[ . 1 . 2]" 4 970 1 133 LYS HE2 1 133 LYS HG2 3.150 . 4.500 2.573 2.369 3.217 . 0 0 "[ . 1 . 2]" 4 971 1 133 LYS HE3 1 133 LYS HG3 3.150 . 4.500 2.787 2.467 3.757 . 0 0 "[ . 1 . 2]" 4 972 1 102 ALA MB 1 103 LEU H 3.150 . 4.500 2.539 2.495 2.591 . 0 0 "[ . 1 . 2]" 4 973 1 23 VAL MG2 1 25 LEU HG 2.650 . 3.500 2.836 2.457 3.038 . 0 0 "[ . 1 . 2]" 4 974 1 89 LEU HB2 1 89 LEU MD2 3.150 . 4.500 3.185 3.152 3.203 . 0 0 "[ . 1 . 2]" 4 975 1 7 LEU HG 1 120 THR MG 3.150 . 4.500 3.520 2.217 4.506 0.006 9 0 "[ . 1 . 2]" 4 976 1 103 LEU H 1 103 LEU MD1 3.150 . 4.500 3.602 2.045 3.756 . 0 0 "[ . 1 . 2]" 4 977 1 117 PRO HD3 1 117 PRO HG3 2.650 . 3.500 2.300 2.262 2.347 . 0 0 "[ . 1 . 2]" 4 978 1 117 PRO HD2 1 117 PRO HG2 2.650 . 3.500 2.286 2.140 2.359 . 0 0 "[ . 1 . 2]" 4 979 1 79 GLY HA3 1 117 PRO HG2 2.300 . 2.800 2.536 1.882 2.849 0.049 7 0 "[ . 1 . 2]" 4 980 1 131 GLN HB2 1 131 GLN QG 2.300 . 2.800 2.196 2.136 2.392 . 0 0 "[ . 1 . 2]" 4 981 1 131 GLN HB3 1 131 GLN QG 2.300 . 2.800 2.384 2.275 2.524 . 0 0 "[ . 1 . 2]" 4 982 1 81 ARG HA 1 81 ARG HG3 2.650 . 3.500 2.560 2.458 2.685 . 0 0 "[ . 1 . 2]" 4 983 1 97 LYS QD 1 97 LYS QE 2.300 . 2.800 2.047 1.992 2.100 . 0 0 "[ . 1 . 2]" 4 984 1 143 ASP HA 1 143 ASP HB2 2.300 . 2.800 2.506 2.373 2.628 . 0 0 "[ . 1 . 2]" 4 985 1 110 LYS HE2 1 140 TRP HH2 3.150 . 4.500 3.609 2.836 4.537 0.037 16 0 "[ . 1 . 2]" 4 986 1 41 THR HA 1 41 THR MG 2.650 . 3.500 2.286 2.181 2.412 . 0 0 "[ . 1 . 2]" 4 987 1 41 THR HA 1 109 ALA HA 2.650 . 3.500 2.496 2.138 2.838 . 0 0 "[ . 1 . 2]" 4 988 1 57 GLU HA 1 57 GLU QG 2.650 . 3.500 2.804 2.361 3.566 0.066 19 0 "[ . 1 . 2]" 4 989 1 41 THR MG 1 103 LEU MD1 3.150 . 4.500 2.615 2.119 4.318 . 0 0 "[ . 1 . 2]" 4 990 1 41 THR MG 1 103 LEU HB3 2.650 . 3.500 3.352 2.863 3.547 0.047 1 0 "[ . 1 . 2]" 4 991 1 41 THR HB 1 42 PRO HD3 2.650 . 3.500 3.344 2.788 3.576 0.076 20 0 "[ . 1 . 2]" 4 992 1 41 THR HB 1 42 PRO HD2 2.650 . 3.500 2.547 1.905 3.148 . 0 0 "[ . 1 . 2]" 4 993 1 41 THR HA 1 42 PRO HD2 2.650 . 3.500 2.848 2.445 3.269 . 0 0 "[ . 1 . 2]" 4 stop_ save_ save_distance_constraint_statistics_5 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 5 _Distance_constraint_stats_list.Constraint_count 62 _Distance_constraint_stats_list.Viol_count 129 _Distance_constraint_stats_list.Viol_total 96.311 _Distance_constraint_stats_list.Viol_max 0.181 _Distance_constraint_stats_list.Viol_rms 0.0150 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0039 _Distance_constraint_stats_list.Viol_average_violations_only 0.0373 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 5 LYS 0.000 0.000 6 0 "[ . 1 . 2]" 1 6 LYS 0.000 0.000 6 0 "[ . 1 . 2]" 1 7 LEU 0.034 0.017 17 0 "[ . 1 . 2]" 1 9 LYS 0.471 0.117 4 0 "[ . 1 . 2]" 1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 THR 0.602 0.068 6 0 "[ . 1 . 2]" 1 14 LEU 0.110 0.061 2 0 "[ . 1 . 2]" 1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 ILE 0.572 0.058 3 0 "[ . 1 . 2]" 1 20 GLY 0.059 0.054 3 0 "[ . 1 . 2]" 1 22 THR 0.484 0.058 3 0 "[ . 1 . 2]" 1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 LEU 0.602 0.068 6 0 "[ . 1 . 2]" 1 26 MET 0.987 0.075 14 0 "[ . 1 . 2]" 1 31 PRO 0.385 0.075 14 0 "[ . 1 . 2]" 1 32 MET 0.385 0.075 14 0 "[ . 1 . 2]" 1 33 THR 0.088 0.034 15 0 "[ . 1 . 2]" 1 38 LEU 0.429 0.106 19 0 "[ . 1 . 2]" 1 41 THR 0.017 0.017 18 0 "[ . 1 . 2]" 1 58 ALA 0.076 0.054 3 0 "[ . 1 . 2]" 1 60 ALA 0.071 0.030 12 0 "[ . 1 . 2]" 1 61 PHE 0.071 0.030 12 0 "[ . 1 . 2]" 1 62 THR 0.059 0.054 3 0 "[ . 1 . 2]" 1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 LYS 0.075 0.030 12 0 "[ . 1 . 2]" 1 65 MET 0.004 0.004 20 0 "[ . 1 . 2]" 1 66 VAL 0.101 0.061 2 0 "[ . 1 . 2]" 1 67 GLU 0.101 0.061 2 0 "[ . 1 . 2]" 1 71 LYS 1.014 0.181 12 0 "[ . 1 . 2]" 1 72 ILE 0.037 0.028 3 0 "[ . 1 . 2]" 1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 77 ASP 0.034 0.017 17 0 "[ . 1 . 2]" 1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 97 LYS 0.986 0.181 12 0 "[ . 1 . 2]" 1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 101 GLU 0.676 0.076 20 0 "[ . 1 . 2]" 1 102 ALA 0.278 0.062 20 0 "[ . 1 . 2]" 1 103 LEU 0.336 0.063 11 0 "[ . 1 . 2]" 1 104 VAL 0.769 0.076 20 0 "[ . 1 . 2]" 1 107 GLY 0.320 0.063 11 0 "[ . 1 . 2]" 1 108 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 110 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 118 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 ASN 0.429 0.106 19 0 "[ . 1 . 2]" 1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 121 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 124 LEU 0.471 0.117 4 0 "[ . 1 . 2]" 1 125 LEU 0.727 0.076 20 0 "[ . 1 . 2]" 1 127 LYS 0.471 0.117 4 0 "[ . 1 . 2]" 1 128 SER 0.052 0.034 18 0 "[ . 1 . 2]" 1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 132 ALA 0.320 0.063 11 0 "[ . 1 . 2]" 1 133 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 134 LYS 0.004 0.004 20 0 "[ . 1 . 2]" 1 135 GLU 0.004 0.004 20 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 13 THR HB 1 25 LEU HB3 2.650 . 3.500 3.517 3.364 3.568 0.068 6 0 "[ . 1 . 2]" 5 2 1 18 ILE HG12 1 22 THR HB 3.650 . 5.500 4.074 3.777 4.325 . 0 0 "[ . 1 . 2]" 5 3 1 18 ILE MD 1 22 THR HB 2.300 . 2.800 2.820 2.713 2.858 0.058 3 0 "[ . 1 . 2]" 5 4 1 23 VAL QG 1 62 THR HB 3.650 . 5.500 3.247 3.088 3.476 . 0 0 "[ . 1 . 2]" 5 5 1 16 LYS HA 1 23 VAL HA 2.650 . 3.500 2.524 2.149 2.814 . 0 0 "[ . 1 . 2]" 5 6 1 101 GLU HA 1 101 GLU HG2 2.300 . 2.800 2.512 2.177 2.737 . 0 0 "[ . 1 . 2]" 5 7 1 63 LYS HA 1 63 LYS QB 2.650 . 3.500 2.350 2.297 2.381 . 0 0 "[ . 1 . 2]" 5 8 1 124 LEU HA 1 124 LEU QB 2.300 . 2.800 2.365 2.325 2.398 . 0 0 "[ . 1 . 2]" 5 9 1 81 ARG HA 1 81 ARG HB3 2.300 . 2.800 2.428 2.357 2.510 . 0 0 "[ . 1 . 2]" 5 10 1 81 ARG HA 1 82 THR HA 3.650 . 5.500 3.935 3.895 3.995 . 0 0 "[ . 1 . 2]" 5 11 1 60 ALA HA 1 64 LYS H 2.650 . 3.500 3.253 3.146 3.333 . 0 0 "[ . 1 . 2]" 5 12 1 16 LYS HA 1 16 LYS HB2 2.300 . 2.800 2.373 2.241 2.647 . 0 0 "[ . 1 . 2]" 5 13 1 32 MET HA 1 32 MET HB3 2.300 . 2.800 2.700 2.254 2.748 . 0 0 "[ . 1 . 2]" 5 14 1 71 LYS HA 1 71 LYS HG3 2.650 . 3.500 3.357 3.254 3.528 0.028 3 0 "[ . 1 . 2]" 5 15 1 120 THR HA 1 121 HIS HA 3.650 . 5.500 4.021 3.935 4.126 . 0 0 "[ . 1 . 2]" 5 16 1 97 LYS HA 1 97 LYS QG 2.300 . 2.800 2.460 2.346 2.606 . 0 0 "[ . 1 . 2]" 5 17 1 77 ASP HA 1 77 ASP HB3 2.650 . 3.500 2.507 2.260 2.906 . 0 0 "[ . 1 . 2]" 5 18 1 77 ASP HA 1 77 ASP HB2 2.300 . 2.800 2.543 2.436 2.583 . 0 0 "[ . 1 . 2]" 5 19 1 7 LEU QB 1 77 ASP HA 2.650 . 3.500 2.408 1.783 3.460 0.017 17 0 "[ . 1 . 2]" 5 20 1 11 PRO QD 1 11 PRO QG 2.300 . 2.800 1.965 1.960 1.974 . 0 0 "[ . 1 . 2]" 5 21 1 20 GLY HA3 1 58 ALA HA 3.150 . 4.500 4.143 3.677 4.554 0.054 3 0 "[ . 1 . 2]" 5 22 1 14 LEU HB2 1 14 LEU MD1 2.650 . 3.500 2.073 1.839 2.161 . 0 0 "[ . 1 . 2]" 5 23 1 14 LEU HB3 1 14 LEU MD1 2.650 . 3.500 2.691 2.229 2.787 . 0 0 "[ . 1 . 2]" 5 24 1 38 LEU QD 1 119 ASN HB2 2.650 . 3.500 3.274 2.665 3.606 0.106 19 0 "[ . 1 . 2]" 5 25 1 14 LEU HB2 1 72 ILE MD 2.300 . 2.800 1.973 1.790 2.061 0.010 18 0 "[ . 1 . 2]" 5 26 1 14 LEU HB3 1 72 ILE MD 2.300 . 2.800 2.406 2.302 2.471 . 0 0 "[ . 1 . 2]" 5 27 1 14 LEU HA 1 72 ILE MG 3.150 . 4.500 3.892 3.677 4.036 . 0 0 "[ . 1 . 2]" 5 28 1 41 THR MG 1 58 ALA MB 2.300 . 2.800 2.291 1.924 2.795 . 0 0 "[ . 1 . 2]" 5 29 1 17 ALA MB 1 63 LYS QB 2.300 . 2.800 2.243 2.023 2.555 . 0 0 "[ . 1 . 2]" 5 30 1 14 LEU MD2 1 66 VAL HB 2.650 . 3.500 2.288 1.922 3.313 . 0 0 "[ . 1 . 2]" 5 31 1 14 LEU HB2 1 14 LEU MD2 2.300 . 2.800 2.022 1.965 2.042 . 0 0 "[ . 1 . 2]" 5 32 1 18 ILE HG13 1 33 THR HB 3.150 . 4.500 4.193 3.915 4.375 . 0 0 "[ . 1 . 2]" 5 33 1 18 ILE MD 1 33 THR HB 3.650 . 5.500 5.071 4.265 5.534 0.034 15 0 "[ . 1 . 2]" 5 34 1 38 LEU HB3 1 125 LEU MD1 2.300 . 2.800 2.257 2.000 2.680 . 0 0 "[ . 1 . 2]" 5 35 1 9 LYS HB2 1 9 LYS HG2 2.300 . 2.800 2.631 2.427 2.917 0.117 4 0 "[ . 1 . 2]" 5 36 1 124 LEU QB 1 124 LEU MD2 2.300 . 2.800 2.290 2.061 2.443 . 0 0 "[ . 1 . 2]" 5 37 1 104 VAL QG 1 125 LEU HA 2.300 . 2.800 2.666 2.460 2.834 0.034 18 0 "[ . 1 . 2]" 5 38 1 103 LEU H 1 104 VAL QG 2.650 . 3.500 3.502 3.447 3.563 0.063 11 0 "[ . 1 . 2]" 5 39 1 66 VAL HA 1 66 VAL MG2 2.650 . 3.500 2.895 2.785 3.005 . 0 0 "[ . 1 . 2]" 5 40 1 78 LYS QG 1 117 PRO HA 3.150 . 4.500 3.855 2.088 4.318 . 0 0 "[ . 1 . 2]" 5 41 1 73 GLU H 1 92 ILE MD 3.650 . 5.500 5.161 5.100 5.202 . 0 0 "[ . 1 . 2]" 5 42 1 5 LYS HA 1 5 LYS QG 2.300 . 2.800 2.334 2.058 2.800 0.000 6 0 "[ . 1 . 2]" 5 43 1 81 ARG HB3 1 81 ARG HD3 2.300 . 2.800 2.356 2.309 2.449 . 0 0 "[ . 1 . 2]" 5 44 1 81 ARG HB3 1 81 ARG HD2 2.300 . 2.800 2.371 2.285 2.411 . 0 0 "[ . 1 . 2]" 5 45 1 97 LYS HA 1 97 LYS HB2 2.650 . 3.500 2.847 2.408 2.964 . 0 0 "[ . 1 . 2]" 5 46 1 64 LYS HB2 1 65 MET H 2.650 . 3.500 3.042 2.476 3.504 0.004 20 0 "[ . 1 . 2]" 5 47 1 60 ALA HA 1 64 LYS HB2 2.650 . 3.500 3.277 2.735 3.530 0.030 12 0 "[ . 1 . 2]" 5 48 1 101 GLU HG2 1 102 ALA HA 2.650 . 3.500 3.433 2.961 3.562 0.062 20 0 "[ . 1 . 2]" 5 49 1 16 LYS HB3 1 16 LYS HE2 3.150 . 4.500 3.038 1.910 3.669 . 0 0 "[ . 1 . 2]" 5 50 1 14 LEU MD1 1 67 GLU HG3 2.650 . 3.500 2.716 2.367 3.057 . 0 0 "[ . 1 . 2]" 5 51 1 14 LEU MD1 1 67 GLU HG2 2.650 . 3.500 3.306 2.069 3.561 0.061 2 0 "[ . 1 . 2]" 5 52 1 64 LYS HA 1 64 LYS HB2 2.300 . 2.800 2.078 2.005 2.139 . 0 0 "[ . 1 . 2]" 5 53 1 64 LYS HA 1 64 LYS HB3 2.300 . 2.800 2.268 2.179 2.412 . 0 0 "[ . 1 . 2]" 5 54 1 16 LYS QD 1 18 ILE MD 2.300 . 2.800 2.173 1.918 2.454 . 0 0 "[ . 1 . 2]" 5 55 1 14 LEU HB2 1 14 LEU MD1 2.300 . 2.800 1.944 1.926 2.012 . 0 0 "[ . 1 . 2]" 5 56 1 99 VAL MG1 1 103 LEU MD2 2.300 . 2.800 2.454 2.203 2.685 . 0 0 "[ . 1 . 2]" 5 57 1 71 LYS HA 1 71 LYS HG3 2.300 . 2.800 2.729 2.384 2.981 0.181 12 0 "[ . 1 . 2]" 5 58 1 101 GLU HG2 1 125 LEU MD2 2.300 . 2.800 2.720 2.507 2.876 0.076 20 0 "[ . 1 . 2]" 5 59 1 26 MET HA 1 31 PRO HB2 3.150 . 4.500 4.478 4.239 4.575 0.075 14 0 "[ . 1 . 2]" 5 60 1 133 LYS HB2 1 133 LYS HG3 2.650 . 3.500 2.157 2.102 2.182 . 0 0 "[ . 1 . 2]" 5 61 1 41 THR MG 1 103 LEU QD 2.300 . 2.800 2.463 2.090 2.797 . 0 0 "[ . 1 . 2]" 5 62 1 41 THR MG 1 58 ALA MB 2.300 . 2.800 2.299 1.934 2.817 0.017 18 0 "[ . 1 . 2]" 5 stop_ save_ save_distance_constraint_statistics_6 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 6 _Distance_constraint_stats_list.Constraint_count 77 _Distance_constraint_stats_list.Viol_count 100 _Distance_constraint_stats_list.Viol_total 55.141 _Distance_constraint_stats_list.Viol_max 0.083 _Distance_constraint_stats_list.Viol_rms 0.0083 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0018 _Distance_constraint_stats_list.Viol_average_violations_only 0.0276 _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 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 HIS 0.960 0.056 12 0 "[ . 1 . 2]" 1 9 LYS 0.013 0.013 11 0 "[ . 1 . 2]" 1 10 GLU 0.330 0.053 13 0 "[ . 1 . 2]" 1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 TYR 0.299 0.070 11 0 "[ . 1 . 2]" 1 28 LYS 0.090 0.048 2 0 "[ . 1 . 2]" 1 32 MET 0.150 0.070 11 0 "[ . 1 . 2]" 1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 PHE 0.924 0.083 3 0 "[ . 1 . 2]" 1 62 THR 0.015 0.015 12 0 "[ . 1 . 2]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 0.630 0.056 12 0 "[ . 1 . 2]" 1 76 PHE 0.060 0.020 1 0 "[ . 1 . 2]" 1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 91 TYR 0.053 0.027 8 0 "[ . 1 . 2]" 1 93 TYR 0.066 0.027 8 0 "[ . 1 . 2]" 1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 108 LEU 0.910 0.083 3 0 "[ . 1 . 2]" 1 110 LYS 0.221 0.044 9 0 "[ . 1 . 2]" 1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 LYS 0.242 0.074 14 0 "[ . 1 . 2]" 1 137 LEU 0.044 0.032 14 0 "[ . 1 . 2]" 1 140 TRP 0.507 0.074 14 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 1 137 LEU HB2 1 140 TRP HD1 3.650 . 5.500 2.620 2.241 2.926 . 0 0 "[ . 1 . 2]" 6 2 1 137 LEU MD2 1 140 TRP HD1 3.650 . 5.500 4.882 3.629 5.532 0.032 14 0 "[ . 1 . 2]" 6 3 1 129 GLU HA 1 140 TRP HZ2 3.650 . 5.500 4.381 3.932 4.772 . 0 0 "[ . 1 . 2]" 6 4 1 110 LYS HE3 1 140 TRP HZ2 3.650 . 5.500 5.125 4.076 5.544 0.044 9 0 "[ . 1 . 2]" 6 5 1 110 LYS HE2 1 140 TRP HZ2 3.650 . 5.500 4.311 3.223 5.505 0.005 16 0 "[ . 1 . 2]" 6 6 1 110 LYS QD 1 140 TRP HZ2 3.150 . 4.500 3.747 2.902 4.124 . 0 0 "[ . 1 . 2]" 6 7 1 110 LYS HG3 1 140 TRP HZ2 3.650 . 5.500 3.411 2.000 4.066 . 0 0 "[ . 1 . 2]" 6 8 1 110 LYS HG2 1 140 TRP HZ2 3.150 . 4.500 2.653 2.058 3.943 . 0 0 "[ . 1 . 2]" 6 9 1 133 LYS HG2 1 140 TRP HZ2 3.150 . 4.500 4.420 4.198 4.574 0.074 14 0 "[ . 1 . 2]" 6 10 1 133 LYS HE3 1 140 TRP HH2 3.650 . 5.500 3.503 2.911 5.226 . 0 0 "[ . 1 . 2]" 6 11 1 110 LYS QB 1 140 TRP HH2 3.650 . 5.500 3.288 2.683 4.121 . 0 0 "[ . 1 . 2]" 6 12 1 110 LYS QD 1 140 TRP HH2 3.150 . 4.500 2.925 2.227 4.324 . 0 0 "[ . 1 . 2]" 6 13 1 110 LYS HG3 1 140 TRP HH2 3.150 . 4.500 3.924 1.956 4.537 0.037 9 0 "[ . 1 . 2]" 6 14 1 133 LYS HG3 1 140 TRP HH2 3.650 . 5.500 4.751 4.188 5.353 . 0 0 "[ . 1 . 2]" 6 15 1 27 TYR QD 1 28 LYS HA 3.650 . 5.500 5.183 5.077 5.324 . 0 0 "[ . 1 . 2]" 6 16 1 27 TYR QD 1 32 MET HG3 3.650 . 5.500 5.110 4.017 5.570 0.070 11 0 "[ . 1 . 2]" 6 17 1 27 TYR QD 1 28 LYS QD 3.650 . 5.500 4.004 3.548 4.571 . 0 0 "[ . 1 . 2]" 6 18 1 11 PRO QD 1 27 TYR QE 3.650 . 5.500 4.366 3.751 5.025 . 0 0 "[ . 1 . 2]" 6 19 1 27 TYR QE 1 28 LYS QE 3.150 . 4.500 3.050 2.398 4.548 0.048 2 0 "[ . 1 . 2]" 6 20 1 27 TYR QE 1 28 LYS HG3 3.150 . 4.500 3.287 2.974 3.390 . 0 0 "[ . 1 . 2]" 6 21 1 76 PHE QD 1 81 ARG HG3 3.150 . 4.500 2.554 2.041 2.869 . 0 0 "[ . 1 . 2]" 6 22 1 76 PHE QD 1 81 ARG HG2 3.650 . 5.500 3.740 3.418 4.307 . 0 0 "[ . 1 . 2]" 6 23 1 76 PHE QE 1 81 ARG HG2 3.650 . 5.500 3.343 3.036 4.502 . 0 0 "[ . 1 . 2]" 6 24 1 76 PHE QE 1 90 ALA MB 3.650 . 5.500 2.859 2.552 3.178 . 0 0 "[ . 1 . 2]" 6 25 1 74 VAL MG1 1 76 PHE QE 3.650 . 5.500 4.536 4.132 4.720 . 0 0 "[ . 1 . 2]" 6 26 1 74 VAL HB 1 76 PHE HZ 3.650 . 5.500 4.253 3.822 4.670 . 0 0 "[ . 1 . 2]" 6 27 1 61 PHE QD 1 62 THR HA 3.150 . 4.500 3.777 3.042 4.458 . 0 0 "[ . 1 . 2]" 6 28 1 61 PHE QD 1 106 GLN HB3 3.650 . 5.500 4.564 3.893 5.019 . 0 0 "[ . 1 . 2]" 6 29 1 61 PHE QD 1 102 ALA MB 3.650 . 5.500 4.082 3.722 4.717 . 0 0 "[ . 1 . 2]" 6 30 1 61 PHE HZ 1 108 LEU MD1 3.650 . 5.500 3.976 3.583 4.502 . 0 0 "[ . 1 . 2]" 6 31 1 61 PHE QE 1 108 LEU HG 3.650 . 5.500 5.545 5.507 5.583 0.083 3 0 "[ . 1 . 2]" 6 32 1 61 PHE QE 1 108 LEU MD1 3.650 . 5.500 3.104 2.700 3.446 . 0 0 "[ . 1 . 2]" 6 33 1 85 TYR HA 1 85 TYR QE 3.650 . 5.500 4.550 4.330 4.713 . 0 0 "[ . 1 . 2]" 6 34 1 91 TYR HA 1 93 TYR QD 3.650 . 5.500 5.354 5.072 5.527 0.027 8 0 "[ . 1 . 2]" 6 35 1 93 TYR QD 1 96 GLY HA3 3.650 . 5.500 4.466 3.855 5.437 . 0 0 "[ . 1 . 2]" 6 36 1 93 TYR QD 1 98 MET HA 3.650 . 5.500 3.306 2.919 3.714 . 0 0 "[ . 1 . 2]" 6 37 1 93 TYR QD 1 96 GLY HA2 3.650 . 5.500 3.242 2.510 4.126 . 0 0 "[ . 1 . 2]" 6 38 1 91 TYR HB3 1 93 TYR QD 3.650 . 5.500 4.368 4.026 4.655 . 0 0 "[ . 1 . 2]" 6 39 1 75 GLU HB3 1 93 TYR QD 3.150 . 4.500 3.717 3.445 4.373 . 0 0 "[ . 1 . 2]" 6 40 1 93 TYR QD 1 98 MET QB 3.650 . 5.500 3.378 2.864 4.597 . 0 0 "[ . 1 . 2]" 6 41 1 9 LYS HD2 1 93 TYR QD 3.650 . 5.500 4.388 3.076 5.513 0.013 11 0 "[ . 1 . 2]" 6 42 1 27 TYR QD 1 34 PHE HZ 3.150 . 4.500 3.249 2.830 3.672 . 0 0 "[ . 1 . 2]" 6 43 1 27 TYR HB2 1 34 PHE HZ 3.150 . 4.500 3.172 2.522 3.679 . 0 0 "[ . 1 . 2]" 6 44 1 34 PHE HZ 1 90 ALA MB 3.650 . 5.500 4.267 3.939 4.554 . 0 0 "[ . 1 . 2]" 6 45 1 140 TRP HA 1 140 TRP HZ3 3.650 . 5.500 4.666 4.428 4.854 . 0 0 "[ . 1 . 2]" 6 46 1 133 LYS HE2 1 140 TRP HZ3 3.650 . 5.500 3.325 2.660 5.196 . 0 0 "[ . 1 . 2]" 6 47 1 8 HIS HA 1 8 HIS HD2 3.150 . 4.500 4.333 4.093 4.436 . 0 0 "[ . 1 . 2]" 6 48 1 7 LEU HA 1 8 HIS HD2 3.650 . 5.500 3.189 2.462 4.578 . 0 0 "[ . 1 . 2]" 6 49 1 8 HIS HD2 1 75 GLU HG2 3.650 . 5.500 5.504 5.202 5.554 0.054 11 0 "[ . 1 . 2]" 6 50 1 8 HIS HE1 1 10 GLU HB3 3.650 . 5.500 5.432 5.192 5.553 0.053 13 0 "[ . 1 . 2]" 6 51 1 8 HIS HE1 1 10 GLU QG 3.650 . 5.500 2.898 2.660 3.221 . 0 0 "[ . 1 . 2]" 6 52 1 76 PHE QD 1 90 ALA HA 3.650 . 5.500 3.721 3.483 4.081 . 0 0 "[ . 1 . 2]" 6 53 1 61 PHE QD 1 103 LEU HA 3.150 . 4.500 3.337 2.719 4.080 . 0 0 "[ . 1 . 2]" 6 54 1 61 PHE QD 1 62 THR MG 3.650 . 5.500 5.111 4.492 5.515 0.015 12 0 "[ . 1 . 2]" 6 55 1 93 TYR QD 1 97 LYS HA 3.650 . 5.500 3.813 3.255 4.498 . 0 0 "[ . 1 . 2]" 6 56 1 8 HIS HD2 1 75 GLU HG3 3.650 . 5.500 5.326 4.930 5.556 0.056 12 0 "[ . 1 . 2]" 6 57 1 107 GLY HA2 1 140 TRP HD1 2.650 . 3.500 2.799 2.372 3.202 . 0 0 "[ . 1 . 2]" 6 58 1 132 ALA HA 1 140 TRP HD1 3.150 . 4.500 4.032 3.787 4.222 . 0 0 "[ . 1 . 2]" 6 59 1 137 LEU HB3 1 140 TRP HD1 3.150 . 4.500 4.049 3.482 4.512 0.012 17 0 "[ . 1 . 2]" 6 60 1 129 GLU HG3 1 140 TRP HZ2 2.650 . 3.500 2.419 2.027 2.876 . 0 0 "[ . 1 . 2]" 6 61 1 110 LYS QB 1 140 TRP HZ2 3.150 . 4.500 3.254 2.531 4.009 . 0 0 "[ . 1 . 2]" 6 62 1 133 LYS HE2 1 140 TRP HH2 3.150 . 4.500 3.195 2.670 4.542 0.042 18 0 "[ . 1 . 2]" 6 63 1 27 TYR HB2 1 27 TYR QD 2.650 . 3.500 2.565 2.465 2.681 . 0 0 "[ . 1 . 2]" 6 64 1 27 TYR QD 1 32 MET HB3 3.150 . 4.500 3.912 3.694 4.504 0.004 4 0 "[ . 1 . 2]" 6 65 1 10 GLU HB3 1 27 TYR QE 2.650 . 3.500 2.255 2.011 2.553 . 0 0 "[ . 1 . 2]" 6 66 1 10 GLU HB2 1 27 TYR QE 2.650 . 3.500 2.142 1.975 2.429 . 0 0 "[ . 1 . 2]" 6 67 1 115 TYR QB 1 115 TYR QD 2.650 . 3.500 2.141 2.114 2.173 . 0 0 "[ . 1 . 2]" 6 68 1 76 PHE HB2 1 76 PHE QD 3.150 . 4.500 2.316 2.279 2.365 . 0 0 "[ . 1 . 2]" 6 69 1 27 TYR QE 1 76 PHE QE 3.150 . 3.500 2.516 2.075 3.140 . 0 0 "[ . 1 . 2]" 6 70 1 27 TYR QE 1 76 PHE HZ 2.650 . 3.500 3.324 2.998 3.520 0.020 1 0 "[ . 1 . 2]" 6 71 1 61 PHE HB3 1 61 PHE QD 2.650 . 3.500 2.335 2.238 2.532 . 0 0 "[ . 1 . 2]" 6 72 1 85 TYR HA 1 85 TYR QD 2.650 . 3.500 2.737 2.220 3.149 . 0 0 "[ . 1 . 2]" 6 73 1 34 PHE HZ 1 76 PHE HZ 2.650 . 3.500 2.293 2.097 2.619 . 0 0 "[ . 1 . 2]" 6 74 1 8 HIS HD2 1 10 GLU QG 3.650 . 5.500 5.197 3.770 5.512 0.012 2 0 "[ . 1 . 2]" 6 75 1 85 TYR HB2 1 85 TYR QD 3.150 . 4.500 2.379 2.264 2.524 . 0 0 "[ . 1 . 2]" 6 76 1 93 TYR HB3 1 93 TYR QD 2.650 . 3.500 2.314 2.281 2.358 . 0 0 "[ . 1 . 2]" 6 77 1 27 TYR QD 1 76 PHE HZ 3.150 . 4.500 4.001 3.343 4.364 . 0 0 "[ . 1 . 2]" 6 stop_ save_ save_distance_constraint_statistics_7 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 7 _Distance_constraint_stats_list.Constraint_count 82 _Distance_constraint_stats_list.Viol_count 54 _Distance_constraint_stats_list.Viol_total 37.038 _Distance_constraint_stats_list.Viol_max 0.100 _Distance_constraint_stats_list.Viol_rms 0.0079 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0011 _Distance_constraint_stats_list.Viol_average_violations_only 0.0343 _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 8 HIS 1.092 0.100 15 0 "[ . 1 . 2]" 1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 ILE 0.065 0.034 1 0 "[ . 1 . 2]" 1 22 THR 0.065 0.034 1 0 "[ . 1 . 2]" 1 23 VAL 0.025 0.025 8 0 "[ . 1 . 2]" 1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 PHE 0.025 0.025 8 0 "[ . 1 . 2]" 1 35 ARG 0.047 0.045 6 0 "[ . 1 . 2]" 1 40 ASP 0.069 0.054 3 0 "[ . 1 . 2]" 1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 SER 0.041 0.019 1 0 "[ . 1 . 2]" 1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 LYS 0.041 0.019 1 0 "[ . 1 . 2]" 1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 65 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 76 PHE 1.092 0.100 15 0 "[ . 1 . 2]" 1 88 GLY 0.047 0.045 6 0 "[ . 1 . 2]" 1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]" 1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 100 ASN 0.169 0.079 8 0 "[ . 1 . 2]" 1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 VAL 0.169 0.079 8 0 "[ . 1 . 2]" 1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 110 LYS 0.069 0.054 3 0 "[ . 1 . 2]" 1 122 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 123 GLN 0.045 0.037 15 0 "[ . 1 . 2]" 1 124 LEU 0.190 0.049 9 0 "[ . 1 . 2]" 1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 127 LYS 0.046 0.037 15 0 "[ . 1 . 2]" 1 128 SER 0.190 0.049 9 0 "[ . 1 . 2]" 1 129 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 130 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 131 GLN 0.109 0.048 9 0 "[ . 1 . 2]" 1 132 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 133 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 134 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 135 GLU 0.108 0.048 9 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 58 ALA O 1 62 THR H 2.000 . 2.500 1.892 1.748 2.078 . 0 0 "[ . 1 . 2]" 7 2 1 58 ALA O 1 62 THR N 3.000 2.500 3.500 2.871 2.733 3.061 . 0 0 "[ . 1 . 2]" 7 3 1 59 SER O 1 63 LYS H 2.000 . 2.500 2.147 1.891 2.519 0.019 1 0 "[ . 1 . 2]" 7 4 1 59 SER O 1 63 LYS N 3.000 2.500 3.500 3.067 2.830 3.405 . 0 0 "[ . 1 . 2]" 7 5 1 60 ALA O 1 64 LYS H 2.000 . 2.500 1.892 1.745 2.125 . 0 0 "[ . 1 . 2]" 7 6 1 60 ALA O 1 64 LYS N 3.000 2.500 3.500 2.845 2.719 3.095 . 0 0 "[ . 1 . 2]" 7 7 1 61 PHE O 1 65 MET H 2.000 . 2.500 2.215 1.978 2.448 . 0 0 "[ . 1 . 2]" 7 8 1 61 PHE O 1 65 MET N 3.000 2.500 3.500 3.164 2.934 3.378 . 0 0 "[ . 1 . 2]" 7 9 1 62 THR O 1 66 VAL H 2.000 . 2.500 2.091 1.919 2.267 . 0 0 "[ . 1 . 2]" 7 10 1 62 THR O 1 66 VAL N 3.000 2.500 3.500 3.033 2.842 3.234 . 0 0 "[ . 1 . 2]" 7 11 1 63 LYS O 1 67 GLU H 2.000 . 2.500 1.967 1.817 2.115 . 0 0 "[ . 1 . 2]" 7 12 1 63 LYS O 1 67 GLU N 3.000 2.500 3.500 2.885 2.704 3.053 . 0 0 "[ . 1 . 2]" 7 13 1 99 VAL O 1 103 LEU H 2.000 . 2.500 1.887 1.767 2.215 . 0 0 "[ . 1 . 2]" 7 14 1 99 VAL O 1 103 LEU N 3.000 2.500 3.500 2.847 2.720 3.161 . 0 0 "[ . 1 . 2]" 7 15 1 100 ASN O 1 104 VAL H 2.000 . 2.500 2.332 1.984 2.579 0.079 8 0 "[ . 1 . 2]" 7 16 1 100 ASN O 1 104 VAL N 3.000 2.500 3.500 3.275 2.960 3.541 0.041 8 0 "[ . 1 . 2]" 7 17 1 101 GLU O 1 105 ARG H 2.000 . 2.500 1.751 1.700 1.831 . 0 0 "[ . 1 . 2]" 7 18 1 101 GLU O 1 105 ARG N 3.000 2.500 3.500 2.716 2.663 2.811 . 0 0 "[ . 1 . 2]" 7 19 1 122 GLU O 1 126 ARG H 2.000 . 2.500 1.936 1.714 2.222 . 0 0 "[ . 1 . 2]" 7 20 1 122 GLU O 1 126 ARG N 3.000 2.500 3.500 2.839 2.667 3.100 . 0 0 "[ . 1 . 2]" 7 21 1 123 GLN O 1 127 LYS H 2.000 . 2.500 2.146 1.901 2.537 0.037 15 0 "[ . 1 . 2]" 7 22 1 123 GLN O 1 127 LYS N 3.000 2.500 3.500 3.053 2.812 3.420 . 0 0 "[ . 1 . 2]" 7 23 1 124 LEU O 1 128 SER H 2.000 . 2.500 2.324 1.971 2.549 0.049 9 0 "[ . 1 . 2]" 7 24 1 124 LEU O 1 128 SER N 3.000 2.500 3.500 3.241 2.882 3.502 0.002 9 0 "[ . 1 . 2]" 7 25 1 125 LEU O 1 129 GLU H 2.000 . 2.500 1.928 1.787 2.078 . 0 0 "[ . 1 . 2]" 7 26 1 125 LEU O 1 129 GLU N 3.000 2.500 3.500 2.806 2.704 2.915 . 0 0 "[ . 1 . 2]" 7 27 1 126 ARG O 1 130 ALA H 2.000 . 2.500 2.034 1.805 2.419 . 0 0 "[ . 1 . 2]" 7 28 1 126 ARG O 1 130 ALA N 3.000 2.500 3.500 2.998 2.770 3.393 . 0 0 "[ . 1 . 2]" 7 29 1 127 LYS O 1 131 GLN H 2.000 . 2.500 2.120 1.829 2.501 0.001 8 0 "[ . 1 . 2]" 7 30 1 127 LYS O 1 131 GLN N 3.000 2.500 3.500 2.994 2.769 3.310 . 0 0 "[ . 1 . 2]" 7 31 1 128 SER O 1 132 ALA H 2.000 . 2.500 2.039 1.883 2.211 . 0 0 "[ . 1 . 2]" 7 32 1 128 SER O 1 132 ALA N 3.000 2.500 3.500 2.961 2.817 3.136 . 0 0 "[ . 1 . 2]" 7 33 1 129 GLU O 1 133 LYS H 2.000 . 2.500 1.891 1.801 1.992 . 0 0 "[ . 1 . 2]" 7 34 1 129 GLU O 1 133 LYS N 3.000 2.500 3.500 2.815 2.727 2.924 . 0 0 "[ . 1 . 2]" 7 35 1 130 ALA O 1 134 LYS H 2.000 . 2.500 2.135 1.886 2.372 . 0 0 "[ . 1 . 2]" 7 36 1 130 ALA O 1 134 LYS N 3.000 2.500 3.500 3.060 2.829 3.319 . 0 0 "[ . 1 . 2]" 7 37 1 131 GLN O 1 135 GLU H 2.000 . 2.500 2.322 2.007 2.548 0.048 9 0 "[ . 1 . 2]" 7 38 1 131 GLN O 1 135 GLU N 3.000 2.500 3.500 3.177 2.892 3.406 . 0 0 "[ . 1 . 2]" 7 39 1 16 LYS O 1 24 LYS H 2.000 . 2.500 1.822 1.744 1.947 . 0 0 "[ . 1 . 2]" 7 40 1 16 LYS O 1 24 LYS N 3.000 2.500 3.500 2.781 2.721 2.885 . 0 0 "[ . 1 . 2]" 7 41 1 16 LYS H 1 24 LYS O 2.000 . 2.500 1.922 1.770 2.046 . 0 0 "[ . 1 . 2]" 7 42 1 16 LYS N 1 24 LYS O 3.000 2.500 3.500 2.894 2.752 2.997 . 0 0 "[ . 1 . 2]" 7 43 1 18 ILE H 1 22 THR O 2.000 . 2.500 2.257 1.874 2.534 0.034 1 0 "[ . 1 . 2]" 7 44 1 18 ILE N 1 22 THR O 3.000 2.500 3.500 3.000 2.760 3.194 . 0 0 "[ . 1 . 2]" 7 45 1 23 VAL O 1 34 PHE H 2.000 . 2.500 1.761 1.717 1.919 . 0 0 "[ . 1 . 2]" 7 46 1 23 VAL O 1 34 PHE N 3.000 2.500 3.500 2.734 2.693 2.905 . 0 0 "[ . 1 . 2]" 7 47 1 23 VAL H 1 34 PHE O 2.000 . 2.500 2.089 1.839 2.525 0.025 8 0 "[ . 1 . 2]" 7 48 1 23 VAL N 1 34 PHE O 3.000 2.500 3.500 3.018 2.820 3.368 . 0 0 "[ . 1 . 2]" 7 49 1 25 LEU O 1 32 MET H 2.000 . 2.500 1.827 1.744 1.987 . 0 0 "[ . 1 . 2]" 7 50 1 25 LEU O 1 32 MET N 3.000 2.500 3.500 2.792 2.724 2.952 . 0 0 "[ . 1 . 2]" 7 51 1 25 LEU H 1 32 MET O 2.000 . 2.500 1.991 1.865 2.159 . 0 0 "[ . 1 . 2]" 7 52 1 25 LEU N 1 32 MET O 3.000 2.500 3.500 2.934 2.805 3.091 . 0 0 "[ . 1 . 2]" 7 53 1 27 TYR O 1 30 GLN H 2.000 . 2.500 1.996 1.880 2.151 . 0 0 "[ . 1 . 2]" 7 54 1 27 TYR O 1 30 GLN N 3.000 2.500 3.500 2.939 2.831 3.067 . 0 0 "[ . 1 . 2]" 7 55 1 27 TYR H 1 30 GLN O 2.000 . 2.500 1.782 1.735 1.948 . 0 0 "[ . 1 . 2]" 7 56 1 27 TYR N 1 30 GLN O 3.000 2.500 3.500 2.727 2.657 2.839 . 0 0 "[ . 1 . 2]" 7 57 1 33 THR O 1 88 GLY H 2.000 . 2.500 1.808 1.710 1.928 . 0 0 "[ . 1 . 2]" 7 58 1 33 THR O 1 88 GLY N 3.000 2.500 3.500 2.743 2.663 2.835 . 0 0 "[ . 1 . 2]" 7 59 1 35 ARG H 1 88 GLY O 2.000 . 2.500 1.989 1.729 2.545 0.045 6 0 "[ . 1 . 2]" 7 60 1 35 ARG N 1 88 GLY O 3.000 2.500 3.500 2.890 2.692 3.303 . 0 0 "[ . 1 . 2]" 7 61 1 75 GLU H 1 91 TYR O 2.000 . 2.500 1.739 1.688 1.841 . 0 0 "[ . 1 . 2]" 7 62 1 75 GLU N 1 91 TYR O 3.000 2.500 3.500 2.703 2.661 2.756 . 0 0 "[ . 1 . 2]" 7 63 1 75 GLU O 1 91 TYR H 2.000 . 2.500 1.754 1.675 1.890 . 0 0 "[ . 1 . 2]" 7 64 1 75 GLU O 1 91 TYR N 3.000 2.500 3.500 2.720 2.646 2.832 . 0 0 "[ . 1 . 2]" 7 65 1 73 GLU H 1 93 TYR O 2.000 . 2.500 1.930 1.825 2.064 . 0 0 "[ . 1 . 2]" 7 66 1 73 GLU N 1 93 TYR O 3.000 2.500 3.500 2.892 2.798 3.020 . 0 0 "[ . 1 . 2]" 7 67 1 73 GLU O 1 93 TYR H 2.000 . 2.500 1.749 1.686 1.794 . 0 0 "[ . 1 . 2]" 7 68 1 73 GLU O 1 93 TYR N 3.000 2.500 3.500 2.730 2.668 2.776 . 0 0 "[ . 1 . 2]" 7 69 1 8 HIS O 1 76 PHE H 2.000 . 2.500 2.139 1.931 2.358 . 0 0 "[ . 1 . 2]" 7 70 1 8 HIS O 1 76 PHE N 3.000 2.500 3.500 2.997 2.848 3.183 . 0 0 "[ . 1 . 2]" 7 71 1 8 HIS H 1 76 PHE O 2.000 . 2.500 2.484 2.079 2.600 0.100 15 0 "[ . 1 . 2]" 7 72 1 8 HIS N 1 76 PHE O 3.000 2.500 3.500 3.379 2.974 3.552 0.052 15 0 "[ . 1 . 2]" 7 73 1 10 GLU O 1 74 VAL H 2.000 . 2.500 1.807 1.713 1.912 . 0 0 "[ . 1 . 2]" 7 74 1 10 GLU O 1 74 VAL N 3.000 2.500 3.500 2.785 2.696 2.889 . 0 0 "[ . 1 . 2]" 7 75 1 10 GLU H 1 74 VAL O 2.000 . 2.500 1.868 1.764 2.060 . 0 0 "[ . 1 . 2]" 7 76 1 10 GLU N 1 74 VAL O 3.000 2.500 3.500 2.770 2.708 2.829 . 0 0 "[ . 1 . 2]" 7 77 1 12 ALA H 1 72 ILE O 2.000 . 2.500 1.870 1.744 2.061 . 0 0 "[ . 1 . 2]" 7 78 1 12 ALA N 1 72 ILE O 3.000 2.500 3.500 2.783 2.682 3.004 . 0 0 "[ . 1 . 2]" 7 79 1 40 ASP O 1 110 LYS H 2.000 . 2.500 1.999 1.756 2.554 0.054 3 0 "[ . 1 . 2]" 7 80 1 40 ASP O 1 110 LYS N 3.000 2.500 3.500 2.966 2.710 3.516 0.016 3 0 "[ . 1 . 2]" 7 81 1 40 ASP H 1 110 LYS O 2.000 . 2.500 1.856 1.677 2.114 . 0 0 "[ . 1 . 2]" 7 82 1 40 ASP N 1 110 LYS O 3.000 2.500 3.500 2.805 2.639 3.078 . 0 0 "[ . 1 . 2]" 7 stop_ save_
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