NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
644068 | 6th8 | 34452 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6th8 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 600 _Distance_constraint_stats_list.Viol_count 1545 _Distance_constraint_stats_list.Viol_total 891.294 _Distance_constraint_stats_list.Viol_max 0.392 _Distance_constraint_stats_list.Viol_rms 0.0114 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0034 _Distance_constraint_stats_list.Viol_average_violations_only 0.0275 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 3 PRO 0.138 0.014 10 0 "[ . 1 . 2 ]" 1 4 LYS 0.028 0.008 5 0 "[ . 1 . 2 ]" 1 5 VAL 0.285 0.029 17 0 "[ . 1 . 2 ]" 1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 8 MET 0.227 0.039 18 0 "[ . 1 . 2 ]" 1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 10 GLY 0.163 0.042 5 0 "[ . 1 . 2 ]" 1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 17 LEU 0.677 0.071 6 0 "[ . 1 . 2 ]" 1 18 ALA 0.734 0.057 8 0 "[ . 1 . 2 ]" 1 19 GLU 0.703 0.035 11 0 "[ . 1 . 2 ]" 1 20 ARG 1.145 0.071 6 0 "[ . 1 . 2 ]" 1 21 LEU 0.952 0.057 8 0 "[ . 1 . 2 ]" 1 22 ARG 1.168 0.042 15 0 "[ . 1 . 2 ]" 1 23 GLY 1.007 0.044 21 0 "[ . 1 . 2 ]" 1 24 GLN 1.603 0.047 7 0 "[ . 1 . 2 ]" 1 25 GLY 1.355 0.047 7 0 "[ . 1 . 2 ]" 1 26 VAL 0.044 0.014 14 0 "[ . 1 . 2 ]" 1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 29 ASP 0.285 0.029 17 0 "[ . 1 . 2 ]" 1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 31 LEU 0.227 0.039 18 0 "[ . 1 . 2 ]" 1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 33 LEU 0.150 0.036 21 0 "[ . 1 . 2 ]" 1 34 ASP 0.029 0.010 12 0 "[ . 1 . 2 ]" 1 35 TYR 0.236 0.036 21 0 "[ . 1 . 2 ]" 1 36 PRO 0.058 0.013 20 0 "[ . 1 . 2 ]" 1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 39 GLU 0.039 0.009 20 0 "[ . 1 . 2 ]" 1 40 LEU 0.644 0.036 10 0 "[ . 1 . 2 ]" 1 41 LEU 1.318 0.039 17 0 "[ . 1 . 2 ]" 1 42 ALA 1.889 0.057 15 0 "[ . 1 . 2 ]" 1 43 ARG 2.179 0.114 11 0 "[ . 1 . 2 ]" 1 44 VAL 1.698 0.049 12 0 "[ . 1 . 2 ]" 1 45 ARG 1.656 0.057 15 0 "[ . 1 . 2 ]" 1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 47 GLU 1.023 0.114 11 0 "[ . 1 . 2 ]" 1 48 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 49 LEU 0.063 0.015 14 0 "[ . 1 . 2 ]" 1 50 ASN 0.166 0.014 10 0 "[ . 1 . 2 ]" 1 51 GLY 0.997 0.046 12 0 "[ . 1 . 2 ]" 1 52 LEU 0.215 0.032 14 0 "[ . 1 . 2 ]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 54 VAL 0.274 0.030 3 0 "[ . 1 . 2 ]" 1 55 SER 0.003 0.003 10 0 "[ . 1 . 2 ]" 1 56 SER 0.508 0.048 2 0 "[ . 1 . 2 ]" 1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 59 GLY 0.686 0.044 10 0 "[ . 1 . 2 ]" 1 60 LEU 2.671 0.087 4 0 "[ . 1 . 2 ]" 1 61 GLN 1.907 0.087 4 0 "[ . 1 . 2 ]" 1 62 ASN 1.037 0.034 16 0 "[ . 1 . 2 ]" 1 63 LEU 1.284 0.037 3 0 "[ . 1 . 2 ]" 1 64 TYR 3.920 0.062 5 0 "[ . 1 . 2 ]" 1 65 GLN 1.728 0.047 8 0 "[ . 1 . 2 ]" 1 66 LEU 0.661 0.039 3 0 "[ . 1 . 2 ]" 1 67 ALA 0.827 0.043 14 0 "[ . 1 . 2 ]" 1 68 ALA 1.436 0.043 14 0 "[ . 1 . 2 ]" 1 69 ALA 2.690 0.074 8 0 "[ . 1 . 2 ]" 1 70 ASP 3.157 0.074 8 0 "[ . 1 . 2 ]" 1 71 TRP 2.677 0.062 5 0 "[ . 1 . 2 ]" 1 72 PRO 1.264 0.068 4 0 "[ . 1 . 2 ]" 1 73 GLU 0.983 0.054 6 0 "[ . 1 . 2 ]" 1 74 ILE 0.240 0.016 10 0 "[ . 1 . 2 ]" 1 75 GLY 2.650 0.080 8 0 "[ . 1 . 2 ]" 1 76 ARG 1.181 0.069 21 0 "[ . 1 . 2 ]" 1 77 LEU 1.310 0.080 8 0 "[ . 1 . 2 ]" 1 78 PRO 0.195 0.051 18 0 "[ . 1 . 2 ]" 1 79 LEU 0.399 0.392 10 0 "[ . 1 . 2 ]" 1 80 PHE 0.459 0.030 3 0 "[ . 1 . 2 ]" 1 81 VAL 0.614 0.025 10 0 "[ . 1 . 2 ]" 1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 83 SER 0.029 0.022 10 0 "[ . 1 . 2 ]" 1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 86 VAL 0.343 0.019 17 0 "[ . 1 . 2 ]" 1 87 ALA 1.304 0.052 10 0 "[ . 1 . 2 ]" 1 88 GLU 1.413 0.052 10 0 "[ . 1 . 2 ]" 1 89 MET 1.276 0.047 18 0 "[ . 1 . 2 ]" 1 90 ALA 1.178 0.069 14 0 "[ . 1 . 2 ]" 1 91 ARG 1.527 0.069 14 0 "[ . 1 . 2 ]" 1 92 GLU 1.353 0.050 14 0 "[ . 1 . 2 ]" 1 93 LEU 1.308 0.050 14 0 "[ . 1 . 2 ]" 1 94 GLY 0.365 0.024 14 0 "[ . 1 . 2 ]" 1 95 ALA 1.461 0.044 10 0 "[ . 1 . 2 ]" 1 96 GLN 1.384 0.068 4 0 "[ . 1 . 2 ]" 1 97 ARG 0.722 0.392 10 0 "[ . 1 . 2 ]" 1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 99 ILE 0.522 0.024 21 0 "[ . 1 . 2 ]" 1 100 ASP 0.383 0.043 10 0 "[ . 1 . 2 ]" 1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 102 ARG 0.174 0.043 10 0 "[ . 1 . 2 ]" 1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 105 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 108 ALA 0.123 0.008 3 0 "[ . 1 . 2 ]" 1 109 LEU 0.760 0.034 18 0 "[ . 1 . 2 ]" 1 110 LEU 1.660 0.053 10 0 "[ . 1 . 2 ]" 1 111 ALA 1.416 0.053 10 0 "[ . 1 . 2 ]" 1 112 ALA 1.288 0.042 6 0 "[ . 1 . 2 ]" 1 113 LEU 2.151 0.076 13 0 "[ . 1 . 2 ]" 1 114 THR 2.025 0.076 13 0 "[ . 1 . 2 ]" 1 115 SER 0.616 0.037 10 0 "[ . 1 . 2 ]" 1 116 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 117 ALA 0.739 0.042 11 0 "[ . 1 . 2 ]" 1 118 LEU 0.587 0.042 11 0 "[ . 1 . 2 ]" 1 119 GLU 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 1 100 ASP H 1 100 ASP HA 2.700 2.700 7.700 2.934 2.929 2.939 . 0 0 "[ . 1 . 2 ]" 1 2 1 101 CYS H 1 101 CYS HA 2.700 2.700 7.700 2.924 2.849 2.937 . 0 0 "[ . 1 . 2 ]" 1 3 1 102 ARG H 1 102 ARG HA 2.700 2.700 7.700 2.789 2.782 2.793 . 0 0 "[ . 1 . 2 ]" 1 4 1 104 ALA H 1 104 ALA HA 2.700 2.700 7.700 2.877 2.848 2.926 . 0 0 "[ . 1 . 2 ]" 1 5 1 106 ALA H 1 106 ALA HA 2.700 2.700 7.700 2.740 2.738 2.745 . 0 0 "[ . 1 . 2 ]" 1 6 1 108 ALA H 1 108 ALA HA 2.700 2.700 7.700 2.816 2.814 2.819 . 0 0 "[ . 1 . 2 ]" 1 7 1 10 GLY H 1 10 GLY HA3 0.000 . 2.700 2.689 2.634 2.742 0.042 5 0 "[ . 1 . 2 ]" 1 8 1 10 GLY H 1 10 GLY HA2 2.700 2.700 7.700 2.901 2.863 2.929 . 0 0 "[ . 1 . 2 ]" 1 9 1 110 LEU H 1 110 LEU HA 2.700 2.700 7.700 2.803 2.800 2.806 . 0 0 "[ . 1 . 2 ]" 1 10 1 111 ALA H 1 111 ALA HA 2.700 2.700 7.700 2.813 2.810 2.816 . 0 0 "[ . 1 . 2 ]" 1 11 1 113 LEU H 1 113 LEU HA 2.700 2.700 7.700 2.807 2.804 2.810 . 0 0 "[ . 1 . 2 ]" 1 12 1 114 THR H 1 114 THR HA 2.700 2.700 7.700 2.829 2.823 2.838 . 0 0 "[ . 1 . 2 ]" 1 13 1 115 SER H 1 115 SER HA 2.700 2.700 7.700 2.822 2.809 2.840 . 0 0 "[ . 1 . 2 ]" 1 14 1 116 ALA H 1 116 ALA HA 2.700 2.700 7.700 2.811 2.802 2.820 . 0 0 "[ . 1 . 2 ]" 1 15 1 118 LEU H 1 118 LEU HA 2.700 2.700 7.700 2.816 2.793 2.839 . 0 0 "[ . 1 . 2 ]" 1 16 1 119 GLU H 1 119 GLU HA 2.700 2.700 7.700 2.852 2.783 2.970 . 0 0 "[ . 1 . 2 ]" 1 17 1 21 LEU H 1 21 LEU HA 2.700 2.700 7.700 2.826 2.813 2.840 . 0 0 "[ . 1 . 2 ]" 1 18 1 22 ARG H 1 22 ARG HA 2.700 2.700 7.700 2.821 2.810 2.831 . 0 0 "[ . 1 . 2 ]" 1 19 1 23 GLY H 1 23 GLY HA3 0.000 . 2.700 2.299 2.297 2.301 . 0 0 "[ . 1 . 2 ]" 1 20 1 23 GLY H 1 23 GLY HA2 2.700 2.700 7.700 2.802 2.799 2.806 . 0 0 "[ . 1 . 2 ]" 1 21 1 24 GLN HB3 1 24 GLN HE21 3.500 3.500 8.500 4.237 4.199 4.265 . 0 0 "[ . 1 . 2 ]" 1 22 1 24 GLN HB2 1 24 GLN HE21 3.500 3.500 8.500 4.504 4.502 4.507 . 0 0 "[ . 1 . 2 ]" 1 23 1 25 GLY H 1 25 GLY HA3 2.700 2.700 7.700 2.916 2.906 2.927 . 0 0 "[ . 1 . 2 ]" 1 24 1 25 GLY H 1 25 GLY HA2 0.000 . 2.700 2.348 2.335 2.362 . 0 0 "[ . 1 . 2 ]" 1 25 1 26 VAL H 1 26 VAL HA 2.700 2.700 7.700 2.944 2.942 2.946 . 0 0 "[ . 1 . 2 ]" 1 26 1 27 GLN H 1 27 GLN HA 2.700 2.700 7.700 2.906 2.895 2.917 . 0 0 "[ . 1 . 2 ]" 1 27 1 28 VAL H 1 28 VAL HA 2.700 2.700 7.700 2.971 2.968 2.973 . 0 0 "[ . 1 . 2 ]" 1 28 1 29 ASP H 1 29 ASP HA 2.700 2.700 7.700 2.951 2.945 2.958 . 0 0 "[ . 1 . 2 ]" 1 29 1 30 TYR H 1 30 TYR HA 2.700 2.700 7.700 2.967 2.961 2.969 . 0 0 "[ . 1 . 2 ]" 1 30 1 31 LEU H 1 31 LEU HA 2.700 2.700 7.700 2.957 2.950 2.963 . 0 0 "[ . 1 . 2 ]" 1 31 1 33 LEU H 1 33 LEU HA 2.700 2.700 7.700 2.812 2.795 2.836 . 0 0 "[ . 1 . 2 ]" 1 32 1 34 ASP H 1 34 ASP HA 2.700 2.700 7.700 2.874 2.867 2.877 . 0 0 "[ . 1 . 2 ]" 1 33 1 35 TYR H 1 35 TYR HA 2.700 2.700 7.700 2.827 2.803 2.857 . 0 0 "[ . 1 . 2 ]" 1 34 1 37 ALA H 1 37 ALA HA 2.700 2.700 7.700 2.774 2.763 2.779 . 0 0 "[ . 1 . 2 ]" 1 35 1 38 GLY H 1 38 GLY HA3 2.700 2.700 7.700 2.932 2.928 2.940 . 0 0 "[ . 1 . 2 ]" 1 36 1 38 GLY H 1 38 GLY HA2 0.000 . 2.700 2.366 2.359 2.379 . 0 0 "[ . 1 . 2 ]" 1 37 1 39 GLU H 1 39 GLU HA 2.700 2.700 7.700 2.821 2.810 2.836 . 0 0 "[ . 1 . 2 ]" 1 38 1 41 LEU H 1 41 LEU HA 2.700 2.700 7.700 2.825 2.814 2.834 . 0 0 "[ . 1 . 2 ]" 1 39 1 42 ALA H 1 42 ALA HA 2.700 2.700 7.700 2.817 2.815 2.821 . 0 0 "[ . 1 . 2 ]" 1 40 1 43 ARG H 1 43 ARG HA 2.700 2.700 7.700 2.820 2.813 2.827 . 0 0 "[ . 1 . 2 ]" 1 41 1 44 VAL H 1 44 VAL HA 2.700 2.700 7.700 2.813 2.806 2.818 . 0 0 "[ . 1 . 2 ]" 1 42 1 45 ARG H 1 45 ARG HA 2.700 2.700 7.700 2.845 2.828 2.871 . 0 0 "[ . 1 . 2 ]" 1 43 1 47 GLU H 1 47 GLU HA 2.700 2.700 7.700 2.886 2.876 2.913 . 0 0 "[ . 1 . 2 ]" 1 44 1 48 ARG H 1 48 ARG HA 0.000 . 2.700 2.296 2.293 2.299 . 0 0 "[ . 1 . 2 ]" 1 45 1 49 LEU H 1 49 LEU HA 2.700 2.700 7.700 2.853 2.822 2.887 . 0 0 "[ . 1 . 2 ]" 1 46 1 4 LYS H 1 4 LYS HA 2.700 2.700 7.700 2.963 2.953 2.969 . 0 0 "[ . 1 . 2 ]" 1 47 1 50 ASN H 1 50 ASN HA 2.700 2.700 7.700 2.924 2.905 2.935 . 0 0 "[ . 1 . 2 ]" 1 48 1 51 GLY H 1 51 GLY HA3 2.700 2.700 7.700 2.664 2.654 2.684 0.046 12 0 "[ . 1 . 2 ]" 1 49 1 51 GLY H 1 51 GLY HA2 2.700 2.700 7.700 2.936 2.924 2.944 . 0 0 "[ . 1 . 2 ]" 1 50 1 52 LEU H 1 52 LEU HA 2.700 2.700 7.700 2.962 2.961 2.964 . 0 0 "[ . 1 . 2 ]" 1 51 1 53 VAL H 1 53 VAL HA 2.700 2.700 7.700 2.970 2.967 2.972 . 0 0 "[ . 1 . 2 ]" 1 52 1 54 VAL H 1 54 VAL HA 2.700 2.700 7.700 2.964 2.956 2.972 . 0 0 "[ . 1 . 2 ]" 1 53 1 56 SER H 1 56 SER HA 2.700 2.700 7.700 2.909 2.894 2.931 . 0 0 "[ . 1 . 2 ]" 1 54 1 59 GLY H 1 59 GLY HA3 0.000 . 2.700 2.299 2.296 2.303 . 0 0 "[ . 1 . 2 ]" 1 55 1 59 GLY H 1 59 GLY HA2 2.700 2.700 7.700 2.806 2.802 2.812 . 0 0 "[ . 1 . 2 ]" 1 56 1 5 VAL H 1 5 VAL HA 2.700 2.700 7.700 2.954 2.948 2.959 . 0 0 "[ . 1 . 2 ]" 1 57 1 60 LEU H 1 60 LEU HA 2.700 2.700 7.700 2.797 2.791 2.806 . 0 0 "[ . 1 . 2 ]" 1 58 1 61 GLN H 1 61 GLN HA 2.700 2.700 7.700 2.821 2.815 2.827 . 0 0 "[ . 1 . 2 ]" 1 59 1 62 ASN H 1 62 ASN HA 2.700 2.700 7.700 2.804 2.801 2.808 . 0 0 "[ . 1 . 2 ]" 1 60 1 63 LEU H 1 63 LEU HA 2.700 2.700 7.700 2.799 2.793 2.803 . 0 0 "[ . 1 . 2 ]" 1 61 1 64 TYR H 1 64 TYR HA 2.700 2.700 7.700 2.811 2.801 2.815 . 0 0 "[ . 1 . 2 ]" 1 62 1 65 GLN H 1 65 GLN HA 2.700 2.700 7.700 2.818 2.815 2.823 . 0 0 "[ . 1 . 2 ]" 1 63 1 66 LEU H 1 66 LEU HA 2.700 2.700 7.700 2.833 2.829 2.837 . 0 0 "[ . 1 . 2 ]" 1 64 1 67 ALA H 1 67 ALA HA 2.700 2.700 7.700 2.800 2.798 2.803 . 0 0 "[ . 1 . 2 ]" 1 65 1 68 ALA H 1 68 ALA HA 0.000 . 2.700 2.294 2.292 2.296 . 0 0 "[ . 1 . 2 ]" 1 66 1 69 ALA H 1 69 ALA HA 2.700 2.700 7.700 2.809 2.807 2.811 . 0 0 "[ . 1 . 2 ]" 1 67 1 6 LEU H 1 6 LEU HA 2.700 2.700 7.700 2.953 2.948 2.956 . 0 0 "[ . 1 . 2 ]" 1 68 1 70 ASP H 1 70 ASP HA 2.700 2.700 7.700 2.931 2.930 2.934 . 0 0 "[ . 1 . 2 ]" 1 69 1 71 TRP H 1 71 TRP HA 2.700 2.700 7.700 2.735 2.734 2.737 . 0 0 "[ . 1 . 2 ]" 1 70 1 73 GLU H 1 73 GLU HA 2.700 2.700 7.700 2.892 2.890 2.895 . 0 0 "[ . 1 . 2 ]" 1 71 1 74 ILE H 1 74 ILE HA 2.700 2.700 7.700 2.808 2.806 2.812 . 0 0 "[ . 1 . 2 ]" 1 72 1 75 GLY H 1 75 GLY HA3 0.000 . 2.700 2.289 2.286 2.297 . 0 0 "[ . 1 . 2 ]" 1 73 1 75 GLY H 1 75 GLY HA2 2.700 2.700 7.700 2.810 2.794 2.851 . 0 0 "[ . 1 . 2 ]" 1 74 1 76 ARG H 1 76 ARG HA 2.700 2.700 7.700 2.834 2.822 2.912 . 0 0 "[ . 1 . 2 ]" 1 75 1 77 LEU H 1 77 LEU HA 2.700 2.700 7.700 2.860 2.808 2.909 . 0 0 "[ . 1 . 2 ]" 1 76 1 79 LEU H 1 79 LEU HA 2.700 2.700 7.700 2.958 2.952 2.965 . 0 0 "[ . 1 . 2 ]" 1 77 1 7 ILE H 1 7 ILE HA 2.700 2.700 7.700 2.948 2.939 2.955 . 0 0 "[ . 1 . 2 ]" 1 78 1 80 PHE H 1 80 PHE HA 2.700 2.700 7.700 2.927 2.921 2.933 . 0 0 "[ . 1 . 2 ]" 1 79 1 81 VAL H 1 81 VAL HA 2.700 2.700 7.700 2.964 2.956 2.968 . 0 0 "[ . 1 . 2 ]" 1 80 1 83 SER H 1 83 SER HA 2.700 2.700 7.700 2.935 2.921 2.944 . 0 0 "[ . 1 . 2 ]" 1 81 1 86 VAL H 1 86 VAL HA 2.700 2.700 7.700 2.811 2.809 2.815 . 0 0 "[ . 1 . 2 ]" 1 82 1 87 ALA H 1 87 ALA HA 2.700 2.700 7.700 2.796 2.793 2.798 . 0 0 "[ . 1 . 2 ]" 1 83 1 88 GLU H 1 88 GLU HA 2.700 2.700 7.700 2.813 2.810 2.815 . 0 0 "[ . 1 . 2 ]" 1 84 1 8 MET H 1 8 MET HA 2.700 2.700 7.700 2.932 2.908 2.945 . 0 0 "[ . 1 . 2 ]" 1 85 1 90 ALA H 1 90 ALA HA 2.700 2.700 7.700 2.814 2.802 2.819 . 0 0 "[ . 1 . 2 ]" 1 86 1 91 ARG H 1 91 ARG HA 2.700 2.700 7.700 2.815 2.809 2.846 . 0 0 "[ . 1 . 2 ]" 1 87 1 92 GLU H 1 92 GLU HA 2.700 2.700 7.700 2.809 2.804 2.813 . 0 0 "[ . 1 . 2 ]" 1 88 1 93 LEU H 1 93 LEU HA 2.700 2.700 7.700 2.831 2.816 2.843 . 0 0 "[ . 1 . 2 ]" 1 89 1 94 GLY H 1 94 GLY HA3 2.700 2.700 7.700 2.955 2.950 2.962 . 0 0 "[ . 1 . 2 ]" 1 90 1 94 GLY H 1 94 GLY HA2 0.000 . 2.700 2.412 2.400 2.432 . 0 0 "[ . 1 . 2 ]" 1 91 1 95 ALA H 1 95 ALA HA 2.700 2.700 7.700 2.811 2.807 2.823 . 0 0 "[ . 1 . 2 ]" 1 92 1 96 GLN H 1 96 GLN HA 2.700 2.700 7.700 2.857 2.839 2.874 . 0 0 "[ . 1 . 2 ]" 1 93 1 97 ARG H 1 97 ARG HA 2.700 2.700 7.700 2.958 2.952 2.961 . 0 0 "[ . 1 . 2 ]" 1 94 1 98 VAL H 1 98 VAL HA 2.700 2.700 7.700 2.965 2.961 2.967 . 0 0 "[ . 1 . 2 ]" 1 95 1 99 ILE H 1 99 ILE HA 2.700 2.700 7.700 2.960 2.958 2.961 . 0 0 "[ . 1 . 2 ]" 1 96 1 9 ARG H 1 9 ARG HA 2.700 2.700 7.700 2.806 2.796 2.841 . 0 0 "[ . 1 . 2 ]" 1 97 1 100 ASP H 1 101 CYS H 3.500 3.500 8.500 4.405 4.379 4.419 . 0 0 "[ . 1 . 2 ]" 1 98 1 99 ILE HA 1 100 ASP H 0.000 . 2.700 2.161 2.157 2.167 . 0 0 "[ . 1 . 2 ]" 1 99 1 100 ASP HA 1 101 CYS H 0.000 . 2.700 2.163 2.155 2.170 . 0 0 "[ . 1 . 2 ]" 1 100 1 101 CYS HA 1 102 ARG H 3.200 3.200 8.200 3.369 3.263 3.487 . 0 0 "[ . 1 . 2 ]" 1 101 1 103 GLY HA3 1 104 ALA H 2.700 2.700 7.700 2.905 2.898 2.917 . 0 0 "[ . 1 . 2 ]" 1 102 1 103 GLY HA2 1 104 ALA H 2.700 2.700 7.700 3.537 3.535 3.540 . 0 0 "[ . 1 . 2 ]" 1 103 1 105 SER HA 1 106 ALA H 0.000 . 2.700 2.388 2.302 2.468 . 0 0 "[ . 1 . 2 ]" 1 104 1 106 ALA H 1 107 PRO QD 0.000 . 4.000 2.446 2.424 2.455 . 0 0 "[ . 1 . 2 ]" 1 105 1 107 PRO HA 1 108 ALA H 0.000 . 4.000 3.541 3.539 3.547 . 0 0 "[ . 1 . 2 ]" 1 106 1 107 PRO QD 1 108 ALA H 0.000 . 4.000 2.952 2.923 3.043 . 0 0 "[ . 1 . 2 ]" 1 107 1 108 ALA H 1 109 LEU H 0.000 . 2.700 2.706 2.703 2.708 0.008 3 0 "[ . 1 . 2 ]" 1 108 1 108 ALA HA 1 109 LEU H 3.200 3.200 8.200 3.549 3.547 3.551 . 0 0 "[ . 1 . 2 ]" 1 109 1 109 LEU H 1 110 LEU H 0.000 . 2.700 2.730 2.724 2.734 0.034 18 0 "[ . 1 . 2 ]" 1 110 1 9 ARG HA 1 10 GLY H 0.000 . 2.700 2.217 2.189 2.244 . 0 0 "[ . 1 . 2 ]" 1 111 1 109 LEU HA 1 110 LEU H 3.200 3.200 8.200 3.545 3.543 3.547 . 0 0 "[ . 1 . 2 ]" 1 112 1 110 LEU H 1 111 ALA H 0.000 . 2.700 2.749 2.744 2.753 0.053 10 0 "[ . 1 . 2 ]" 1 113 1 110 LEU HA 1 111 ALA H 3.200 3.200 8.200 3.542 3.540 3.544 . 0 0 "[ . 1 . 2 ]" 1 114 1 111 ALA H 1 112 ALA H 0.000 . 2.700 2.714 2.710 2.716 0.016 7 0 "[ . 1 . 2 ]" 1 115 1 112 ALA H 1 113 LEU H 0.000 . 2.700 2.732 2.726 2.742 0.042 6 0 "[ . 1 . 2 ]" 1 116 1 112 ALA HA 1 113 LEU H 3.200 3.200 8.200 3.545 3.540 3.553 . 0 0 "[ . 1 . 2 ]" 1 117 1 113 LEU H 1 114 THR H 0.000 . 2.700 2.770 2.760 2.776 0.076 13 0 "[ . 1 . 2 ]" 1 118 1 113 LEU HA 1 114 THR H 3.200 3.200 8.200 3.550 3.548 3.551 . 0 0 "[ . 1 . 2 ]" 1 119 1 114 THR H 1 115 SER H 0.000 . 2.700 2.714 2.695 2.724 0.024 12 0 "[ . 1 . 2 ]" 1 120 1 115 SER HA 1 116 ALA H 3.200 3.200 8.200 3.551 3.539 3.561 . 0 0 "[ . 1 . 2 ]" 1 121 1 117 ALA H 1 118 LEU H 0.000 . 2.700 2.728 2.704 2.742 0.042 11 0 "[ . 1 . 2 ]" 1 122 1 117 ALA HA 1 118 LEU H 3.200 3.200 8.200 3.536 3.520 3.547 . 0 0 "[ . 1 . 2 ]" 1 123 1 118 LEU HA 1 119 GLU H 2.700 2.700 7.700 3.538 3.527 3.550 . 0 0 "[ . 1 . 2 ]" 1 124 1 18 ALA HA 1 19 GLU H 0.000 . 4.500 3.554 3.537 3.579 . 0 0 "[ . 1 . 2 ]" 1 125 1 19 GLU H 1 20 ARG H 0.000 . 2.700 2.722 2.716 2.735 0.035 11 0 "[ . 1 . 2 ]" 1 126 1 20 ARG HA 1 21 LEU H 3.200 3.200 8.200 3.586 3.580 3.594 . 0 0 "[ . 1 . 2 ]" 1 127 1 21 LEU H 1 22 ARG H 0.000 . 2.700 2.703 2.667 2.732 0.032 11 0 "[ . 1 . 2 ]" 1 128 1 21 LEU HA 1 22 ARG H 3.200 3.200 8.200 3.542 3.535 3.559 . 0 0 "[ . 1 . 2 ]" 1 129 1 22 ARG H 1 23 GLY H 0.000 . 2.700 2.710 2.698 2.716 0.016 8 0 "[ . 1 . 2 ]" 1 130 1 22 ARG HA 1 23 GLY H 2.700 2.700 7.700 3.552 3.546 3.559 . 0 0 "[ . 1 . 2 ]" 1 131 1 23 GLY H 1 24 GLN H 0.000 . 2.700 2.738 2.734 2.744 0.044 21 0 "[ . 1 . 2 ]" 1 132 1 23 GLY QA 1 24 GLN H 0.000 . 3.500 2.802 2.798 2.805 . 0 0 "[ . 1 . 2 ]" 1 133 1 24 GLN H 1 25 GLY H 0.000 . 2.700 2.739 2.730 2.747 0.047 7 0 "[ . 1 . 2 ]" 1 134 1 24 GLN HA 1 25 GLY H 3.200 3.200 8.200 3.244 3.224 3.263 . 0 0 "[ . 1 . 2 ]" 1 135 1 25 GLY H 1 26 VAL H 0.000 . 2.700 2.422 2.367 2.460 . 0 0 "[ . 1 . 2 ]" 1 136 1 25 GLY HA3 1 26 VAL H 3.200 3.200 8.200 3.450 3.421 3.471 . 0 0 "[ . 1 . 2 ]" 1 137 1 25 GLY HA2 1 26 VAL H 2.700 2.700 8.500 3.173 3.128 3.216 . 0 0 "[ . 1 . 2 ]" 1 138 1 26 VAL H 1 27 GLN H 3.500 3.500 8.500 4.518 4.508 4.526 . 0 0 "[ . 1 . 2 ]" 1 139 1 26 VAL HA 1 27 GLN H 0.000 . 2.700 2.203 2.193 2.214 . 0 0 "[ . 1 . 2 ]" 1 140 1 27 GLN H 1 28 VAL H 3.500 3.500 8.500 4.555 4.520 4.581 . 0 0 "[ . 1 . 2 ]" 1 141 1 27 GLN HA 1 28 VAL H 0.000 . 2.700 2.206 2.182 2.231 . 0 0 "[ . 1 . 2 ]" 1 142 1 28 VAL H 1 29 ASP H 3.500 3.500 8.500 4.365 4.346 4.382 . 0 0 "[ . 1 . 2 ]" 1 143 1 28 VAL HA 1 29 ASP H 0.000 . 2.700 2.125 2.113 2.135 . 0 0 "[ . 1 . 2 ]" 1 144 1 29 ASP H 1 30 TYR H 3.500 3.500 8.500 4.316 4.254 4.371 . 0 0 "[ . 1 . 2 ]" 1 145 1 29 ASP HA 1 30 TYR H 0.000 . 2.700 2.218 2.184 2.259 . 0 0 "[ . 1 . 2 ]" 1 146 1 30 TYR H 1 31 LEU H 3.500 3.500 8.500 4.469 4.420 4.492 . 0 0 "[ . 1 . 2 ]" 1 147 1 30 TYR HA 1 31 LEU H 0.000 . 2.700 2.187 2.160 2.221 . 0 0 "[ . 1 . 2 ]" 1 148 1 31 LEU H 1 32 PRO HD3 3.500 3.500 8.500 4.427 4.183 4.807 . 0 0 "[ . 1 . 2 ]" 1 149 1 31 LEU H 1 32 PRO HD2 3.500 3.500 8.500 5.102 4.961 5.371 . 0 0 "[ . 1 . 2 ]" 1 150 1 32 PRO HD3 1 33 LEU H 3.500 3.500 8.500 5.674 5.602 5.791 . 0 0 "[ . 1 . 2 ]" 1 151 1 32 PRO HD2 1 33 LEU H 3.500 3.500 8.500 5.539 5.338 5.645 . 0 0 "[ . 1 . 2 ]" 1 152 1 32 PRO HA 1 33 LEU H 0.000 . 2.700 2.194 2.176 2.208 . 0 0 "[ . 1 . 2 ]" 1 153 1 33 LEU H 1 34 ASP H 0.000 . 3.200 2.829 2.760 2.880 . 0 0 "[ . 1 . 2 ]" 1 154 1 33 LEU HA 1 34 ASP H 3.200 3.200 8.200 3.396 3.376 3.429 . 0 0 "[ . 1 . 2 ]" 1 155 1 34 ASP H 1 35 TYR H 0.000 . 2.700 2.686 2.657 2.710 0.010 12 0 "[ . 1 . 2 ]" 1 156 1 34 ASP HA 1 35 TYR H 3.200 3.200 8.200 3.401 3.372 3.425 . 0 0 "[ . 1 . 2 ]" 1 157 1 35 TYR H 1 36 PRO HD3 3.200 3.200 8.200 4.994 4.949 5.083 . 0 0 "[ . 1 . 2 ]" 1 158 1 35 TYR HA 1 36 PRO HD2 0.000 . 2.700 2.679 2.626 2.713 0.013 20 0 "[ . 1 . 2 ]" 1 159 1 35 TYR H 1 36 PRO HD2 3.200 3.200 8.200 5.077 5.003 5.126 . 0 0 "[ . 1 . 2 ]" 1 160 1 36 PRO HA 1 37 ALA H 0.000 . 2.700 2.288 2.214 2.329 . 0 0 "[ . 1 . 2 ]" 1 161 1 37 ALA H 1 38 GLY H 3.500 3.500 8.500 4.649 4.639 4.656 . 0 0 "[ . 1 . 2 ]" 1 162 1 37 ALA HA 1 38 GLY H 0.000 . 2.700 2.295 2.284 2.311 . 0 0 "[ . 1 . 2 ]" 1 163 1 38 GLY H 1 39 GLU H 0.000 . 3.200 3.043 2.983 3.078 . 0 0 "[ . 1 . 2 ]" 1 164 1 38 GLY HA3 1 39 GLU H 2.700 2.700 7.700 2.911 2.898 2.935 . 0 0 "[ . 1 . 2 ]" 1 165 1 38 GLY HA2 1 39 GLU H 3.200 3.200 8.200 3.562 3.552 3.572 . 0 0 "[ . 1 . 2 ]" 1 166 1 39 GLU H 1 40 LEU H 0.000 . 2.700 2.684 2.647 2.709 0.009 20 0 "[ . 1 . 2 ]" 1 167 1 40 LEU H 1 41 LEU H 0.000 . 2.700 2.729 2.720 2.736 0.036 10 0 "[ . 1 . 2 ]" 1 168 1 40 LEU HA 1 41 LEU H 3.200 3.200 8.200 3.558 3.555 3.562 . 0 0 "[ . 1 . 2 ]" 1 169 1 41 LEU H 1 42 ALA H 0.000 . 2.700 2.709 2.702 2.716 0.016 2 0 "[ . 1 . 2 ]" 1 170 1 41 LEU HA 1 42 ALA H 3.200 3.200 8.200 3.558 3.549 3.564 . 0 0 "[ . 1 . 2 ]" 1 171 1 42 ALA H 1 43 ARG H 0.000 . 2.700 2.737 2.726 2.750 0.050 9 0 "[ . 1 . 2 ]" 1 172 1 42 ALA HA 1 43 ARG H 3.200 3.200 8.200 3.555 3.543 3.566 . 0 0 "[ . 1 . 2 ]" 1 173 1 43 ARG H 1 44 VAL H 0.000 . 2.700 2.718 2.710 2.726 0.026 19 0 "[ . 1 . 2 ]" 1 174 1 43 ARG HA 1 44 VAL H 3.200 3.200 8.200 3.554 3.547 3.559 . 0 0 "[ . 1 . 2 ]" 1 175 1 44 VAL HA 1 45 ARG H 3.200 3.200 8.200 3.558 3.553 3.570 . 0 0 "[ . 1 . 2 ]" 1 176 1 44 VAL H 1 45 ARG H 0.000 . 2.700 2.735 2.723 2.749 0.049 12 0 "[ . 1 . 2 ]" 1 177 1 46 ALA HA 1 47 GLU H 3.200 3.200 8.200 3.570 3.562 3.585 . 0 0 "[ . 1 . 2 ]" 1 178 1 47 GLU H 1 48 ARG H 0.000 . 2.700 2.603 2.509 2.634 . 0 0 "[ . 1 . 2 ]" 1 179 1 47 GLU HA 1 48 ARG H 3.200 3.200 8.200 3.404 3.366 3.412 . 0 0 "[ . 1 . 2 ]" 1 180 1 48 ARG HA 1 49 LEU H 0.000 . 2.700 2.577 2.566 2.588 . 0 0 "[ . 1 . 2 ]" 1 181 1 49 LEU H 1 50 ASN H 3.500 3.500 8.500 4.610 4.595 4.626 . 0 0 "[ . 1 . 2 ]" 1 182 1 3 PRO HA 1 4 LYS H 0.000 . 2.700 2.299 2.268 2.317 . 0 0 "[ . 1 . 2 ]" 1 183 1 4 LYS H 1 5 VAL H 3.500 3.500 8.500 4.482 4.461 4.507 . 0 0 "[ . 1 . 2 ]" 1 184 1 49 LEU HA 1 50 ASN H 0.000 . 2.700 2.203 2.165 2.238 . 0 0 "[ . 1 . 2 ]" 1 185 1 50 ASN H 1 51 GLY H 0.000 . 2.700 2.259 2.210 2.350 . 0 0 "[ . 1 . 2 ]" 1 186 1 50 ASN HA 1 51 GLY H 3.200 3.200 8.200 3.557 3.552 3.562 . 0 0 "[ . 1 . 2 ]" 1 187 1 51 GLY H 1 52 LEU H 3.500 3.500 8.500 4.429 4.418 4.445 . 0 0 "[ . 1 . 2 ]" 1 188 1 51 GLY HA3 1 52 LEU H 2.700 2.700 7.700 2.707 2.668 2.773 0.032 14 0 "[ . 1 . 2 ]" 1 189 1 51 GLY HA2 1 52 LEU H 0.000 . 2.700 2.328 2.272 2.391 . 0 0 "[ . 1 . 2 ]" 1 190 1 52 LEU H 1 53 VAL H 3.500 3.500 8.500 4.433 4.420 4.447 . 0 0 "[ . 1 . 2 ]" 1 191 1 52 LEU HA 1 53 VAL H 0.000 . 2.700 2.258 2.228 2.278 . 0 0 "[ . 1 . 2 ]" 1 192 1 53 VAL H 1 54 VAL H 3.500 3.500 8.500 4.369 4.348 4.390 . 0 0 "[ . 1 . 2 ]" 1 193 1 53 VAL HA 1 54 VAL H 0.000 . 2.700 2.176 2.156 2.196 . 0 0 "[ . 1 . 2 ]" 1 194 1 55 SER HA 1 56 SER H 3.200 3.200 8.200 3.419 3.197 3.532 0.003 10 0 "[ . 1 . 2 ]" 1 195 1 55 SER H 1 56 SER H 0.000 . 2.700 2.349 2.157 2.619 . 0 0 "[ . 1 . 2 ]" 1 196 1 58 GLN HA 1 59 GLY H 3.200 3.200 8.200 3.565 3.554 3.573 . 0 0 "[ . 1 . 2 ]" 1 197 1 59 GLY H 1 60 LEU H 0.000 . 2.700 2.732 2.723 2.744 0.044 10 0 "[ . 1 . 2 ]" 1 198 1 4 LYS HA 1 5 VAL H 0.000 . 2.700 2.222 2.205 2.237 . 0 0 "[ . 1 . 2 ]" 1 199 1 59 GLY HA3 1 60 LEU H 2.700 2.700 7.700 2.774 2.740 2.811 . 0 0 "[ . 1 . 2 ]" 1 200 1 59 GLY HA2 1 60 LEU H 3.200 3.200 8.200 3.555 3.548 3.563 . 0 0 "[ . 1 . 2 ]" 1 201 1 60 LEU H 1 61 GLN H 0.000 . 2.700 2.771 2.756 2.787 0.087 4 0 "[ . 1 . 2 ]" 1 202 1 60 LEU HA 1 61 GLN H 3.200 3.200 8.200 3.548 3.544 3.554 . 0 0 "[ . 1 . 2 ]" 1 203 1 61 GLN H 1 62 ASN H 0.000 . 2.700 2.720 2.713 2.727 0.027 18 0 "[ . 1 . 2 ]" 1 204 1 61 GLN HA 1 62 ASN H 3.500 3.500 8.500 3.552 3.548 3.558 . 0 0 "[ . 1 . 2 ]" 1 205 1 62 ASN H 1 63 LEU H 0.000 . 2.700 2.729 2.723 2.734 0.034 16 0 "[ . 1 . 2 ]" 1 206 1 62 ASN HA 1 63 LEU H 3.200 3.200 8.200 3.541 3.535 3.545 . 0 0 "[ . 1 . 2 ]" 1 207 1 63 LEU H 1 64 TYR H 0.000 . 2.700 2.732 2.727 2.737 0.037 3 0 "[ . 1 . 2 ]" 1 208 1 63 LEU HA 1 64 TYR H 3.200 3.200 8.200 3.540 3.537 3.542 . 0 0 "[ . 1 . 2 ]" 1 209 1 64 TYR H 1 65 GLN H 0.000 . 2.700 2.744 2.740 2.747 0.047 8 0 "[ . 1 . 2 ]" 1 210 1 64 TYR HA 1 65 GLN H 3.200 3.200 8.200 3.554 3.548 3.557 . 0 0 "[ . 1 . 2 ]" 1 211 1 65 GLN H 1 66 LEU H 0.000 . 2.700 2.731 2.724 2.739 0.039 3 0 "[ . 1 . 2 ]" 1 212 1 65 GLN HA 1 66 LEU H 3.200 3.200 8.200 3.552 3.549 3.557 . 0 0 "[ . 1 . 2 ]" 1 213 1 66 LEU H 1 67 ALA H 0.000 . 2.700 2.654 2.643 2.669 . 0 0 "[ . 1 . 2 ]" 1 214 1 66 LEU HA 1 67 ALA H 3.200 3.200 8.200 3.529 3.522 3.533 . 0 0 "[ . 1 . 2 ]" 1 215 1 67 ALA H 1 68 ALA H 0.000 . 2.700 2.738 2.729 2.743 0.043 14 0 "[ . 1 . 2 ]" 1 216 1 67 ALA HA 1 68 ALA H 3.200 3.200 8.200 3.552 3.549 3.557 . 0 0 "[ . 1 . 2 ]" 1 217 1 68 ALA H 1 69 ALA H 3.500 3.500 8.500 4.703 4.701 4.705 . 0 0 "[ . 1 . 2 ]" 1 218 1 68 ALA HA 1 69 ALA H 3.200 3.200 8.200 3.177 3.165 3.188 0.035 5 0 "[ . 1 . 2 ]" 1 219 1 69 ALA H 1 70 ASP H 0.000 . 2.700 2.772 2.768 2.774 0.074 8 0 "[ . 1 . 2 ]" 1 220 1 5 VAL HA 1 6 LEU H 0.000 . 2.700 2.162 2.148 2.175 . 0 0 "[ . 1 . 2 ]" 1 221 1 6 LEU H 1 7 ILE H 3.500 3.500 8.500 4.492 4.470 4.509 . 0 0 "[ . 1 . 2 ]" 1 222 1 69 ALA HA 1 70 ASP H 3.500 3.500 7.500 3.467 3.462 3.475 0.038 10 0 "[ . 1 . 2 ]" 1 223 1 70 ASP H 1 71 TRP H 0.000 . 2.700 2.650 2.635 2.666 . 0 0 "[ . 1 . 2 ]" 1 224 1 70 ASP HA 1 71 TRP H 3.200 3.200 8.200 3.232 3.198 3.248 0.002 7 0 "[ . 1 . 2 ]" 1 225 1 71 TRP H 1 72 PRO HD3 2.700 2.700 7.700 3.169 3.164 3.175 . 0 0 "[ . 1 . 2 ]" 1 226 1 71 TRP H 1 72 PRO HD2 0.000 . 3.200 2.626 2.620 2.632 . 0 0 "[ . 1 . 2 ]" 1 227 1 71 TRP HA 1 72 PRO HD3 2.700 2.700 7.700 4.095 4.090 4.099 . 0 0 "[ . 1 . 2 ]" 1 228 1 71 TRP HA 1 72 PRO HD2 2.700 2.700 7.700 4.006 4.002 4.008 . 0 0 "[ . 1 . 2 ]" 1 229 1 72 PRO HA 1 73 GLU H 3.200 3.200 8.200 3.586 3.579 3.594 . 0 0 "[ . 1 . 2 ]" 1 230 1 73 GLU H 1 74 ILE H 0.000 . 2.700 2.497 2.481 2.508 . 0 0 "[ . 1 . 2 ]" 1 231 1 73 GLU HA 1 74 ILE H 3.200 3.200 8.200 3.555 3.550 3.557 . 0 0 "[ . 1 . 2 ]" 1 232 1 74 ILE H 1 75 GLY H 0.000 . 2.700 2.711 2.707 2.716 0.016 10 0 "[ . 1 . 2 ]" 1 233 1 74 ILE HA 1 75 GLY H 0.000 . 4.000 3.520 3.514 3.524 . 0 0 "[ . 1 . 2 ]" 1 234 1 75 GLY H 1 76 ARG H 0.000 . 2.700 2.755 2.749 2.769 0.069 21 0 "[ . 1 . 2 ]" 1 235 1 75 GLY HA3 1 76 ARG H 2.700 2.700 7.700 3.161 3.097 3.320 . 0 0 "[ . 1 . 2 ]" 1 236 1 75 GLY HA2 1 76 ARG H 3.200 3.200 8.200 3.431 3.341 3.467 . 0 0 "[ . 1 . 2 ]" 1 237 1 76 ARG H 1 77 LEU H 0.000 . 2.700 2.645 2.519 2.672 . 0 0 "[ . 1 . 2 ]" 1 238 1 76 ARG HA 1 77 LEU H 3.200 3.200 8.200 3.501 3.354 3.518 . 0 0 "[ . 1 . 2 ]" 1 239 1 77 LEU H 1 78 PRO HD3 3.200 3.200 8.200 5.079 4.678 5.270 . 0 0 "[ . 1 . 2 ]" 1 240 1 77 LEU H 1 78 PRO HD2 3.200 3.200 8.200 5.008 4.847 5.323 . 0 0 "[ . 1 . 2 ]" 1 241 1 77 LEU HA 1 78 PRO HD3 0.000 . 2.700 2.428 2.114 2.619 . 0 0 "[ . 1 . 2 ]" 1 242 1 77 LEU HA 1 78 PRO HD2 0.000 . 2.700 2.468 2.294 2.751 0.051 18 0 "[ . 1 . 2 ]" 1 243 1 78 PRO HA 1 79 LEU H 0.000 . 2.700 2.178 2.163 2.198 . 0 0 "[ . 1 . 2 ]" 1 244 1 79 LEU H 1 80 PHE H 3.500 3.500 8.500 4.415 4.391 4.434 . 0 0 "[ . 1 . 2 ]" 1 245 1 6 LEU HA 1 7 ILE H 0.000 . 2.700 2.191 2.171 2.208 . 0 0 "[ . 1 . 2 ]" 1 246 1 7 ILE H 1 8 MET H 3.500 3.500 8.500 4.459 4.442 4.476 . 0 0 "[ . 1 . 2 ]" 1 247 1 79 LEU HA 1 80 PHE H 0.000 . 2.700 2.158 2.145 2.172 . 0 0 "[ . 1 . 2 ]" 1 248 1 80 PHE H 1 81 VAL H 3.500 3.500 8.500 4.467 4.433 4.486 . 0 0 "[ . 1 . 2 ]" 1 249 1 80 PHE HA 1 81 VAL H 0.000 . 2.700 2.195 2.185 2.206 . 0 0 "[ . 1 . 2 ]" 1 250 1 81 VAL H 1 82 PRO HD3 3.500 3.500 8.500 4.911 4.880 4.976 . 0 0 "[ . 1 . 2 ]" 1 251 1 81 VAL H 1 82 PRO HD2 3.500 3.500 8.500 5.136 5.083 5.154 . 0 0 "[ . 1 . 2 ]" 1 252 1 81 VAL HA 1 82 PRO HD3 0.000 . 2.700 2.187 2.165 2.231 . 0 0 "[ . 1 . 2 ]" 1 253 1 81 VAL HA 1 82 PRO HD2 2.700 2.700 7.700 2.780 2.734 2.820 . 0 0 "[ . 1 . 2 ]" 1 254 1 82 PRO HA 1 83 SER H 3.200 3.200 8.200 3.494 3.477 3.523 . 0 0 "[ . 1 . 2 ]" 1 255 1 82 PRO HD3 1 83 SER H 3.200 3.200 8.200 3.729 3.698 3.779 . 0 0 "[ . 1 . 2 ]" 1 256 1 82 PRO HD2 1 83 SER H 0.000 . 3.200 2.377 2.334 2.446 . 0 0 "[ . 1 . 2 ]" 1 257 1 85 ARG HA 1 86 VAL H 3.200 3.200 8.200 3.575 3.572 3.579 . 0 0 "[ . 1 . 2 ]" 1 258 1 86 VAL H 1 87 ALA H 0.000 . 2.700 2.716 2.714 2.719 0.019 17 0 "[ . 1 . 2 ]" 1 259 1 86 VAL HA 1 87 ALA H 3.200 3.200 8.200 3.547 3.544 3.551 . 0 0 "[ . 1 . 2 ]" 1 260 1 87 ALA H 1 88 GLU H 0.000 . 2.700 2.746 2.742 2.752 0.052 10 0 "[ . 1 . 2 ]" 1 261 1 87 ALA HA 1 88 GLU H 3.200 3.200 8.200 3.544 3.540 3.546 . 0 0 "[ . 1 . 2 ]" 1 262 1 88 GLU H 1 89 MET H 0.000 . 2.700 2.722 2.716 2.742 0.042 14 0 "[ . 1 . 2 ]" 1 263 1 88 GLU HA 1 89 MET H 3.200 3.200 8.200 3.551 3.547 3.565 . 0 0 "[ . 1 . 2 ]" 1 264 1 89 MET H 1 90 ALA H 0.000 . 2.700 2.737 2.666 2.747 0.047 18 0 "[ . 1 . 2 ]" 1 265 1 7 ILE HA 1 8 MET H 0.000 . 2.700 2.142 2.119 2.175 . 0 0 "[ . 1 . 2 ]" 1 266 1 89 MET HA 1 90 ALA H 3.200 3.200 8.200 3.542 3.539 3.546 . 0 0 "[ . 1 . 2 ]" 1 267 1 90 ALA H 1 91 ARG H 0.000 . 2.700 2.718 2.709 2.769 0.069 14 0 "[ . 1 . 2 ]" 1 268 1 90 ALA HA 1 91 ARG H 3.200 3.200 8.200 3.545 3.542 3.564 . 0 0 "[ . 1 . 2 ]" 1 269 1 91 ARG H 1 92 GLU H 0.000 . 2.700 2.728 2.672 2.736 0.036 13 0 "[ . 1 . 2 ]" 1 270 1 91 ARG HA 1 92 GLU H 3.200 3.200 8.200 3.556 3.551 3.565 . 0 0 "[ . 1 . 2 ]" 1 271 1 92 GLU H 1 93 LEU H 0.000 . 2.700 2.735 2.730 2.750 0.050 14 0 "[ . 1 . 2 ]" 1 272 1 92 GLU HA 1 93 LEU H 3.200 3.200 8.200 3.543 3.538 3.545 . 0 0 "[ . 1 . 2 ]" 1 273 1 93 LEU H 1 94 GLY H 0.000 . 2.700 2.717 2.710 2.724 0.024 14 0 "[ . 1 . 2 ]" 1 274 1 93 LEU HA 1 94 GLY H 3.200 3.200 8.200 3.480 3.464 3.496 . 0 0 "[ . 1 . 2 ]" 1 275 1 94 GLY H 1 95 ALA H 0.000 . 2.700 2.216 2.165 2.249 . 0 0 "[ . 1 . 2 ]" 1 276 1 94 GLY HA3 1 95 ALA H 3.200 3.200 8.200 3.477 3.461 3.485 . 0 0 "[ . 1 . 2 ]" 1 277 1 94 GLY HA2 1 95 ALA H 2.700 2.700 7.700 3.206 3.198 3.227 . 0 0 "[ . 1 . 2 ]" 1 278 1 95 ALA H 1 96 GLN H 3.500 3.500 8.500 4.543 4.534 4.595 . 0 0 "[ . 1 . 2 ]" 1 279 1 95 ALA HA 1 96 GLN H 0.000 . 2.700 2.149 2.138 2.194 . 0 0 "[ . 1 . 2 ]" 1 280 1 96 GLN H 1 97 ARG H 0.000 . 2.700 2.549 2.499 2.598 . 0 0 "[ . 1 . 2 ]" 1 281 1 96 GLN HA 1 97 ARG H 3.500 3.500 8.500 3.533 3.527 3.540 . 0 0 "[ . 1 . 2 ]" 1 282 1 97 ARG H 1 98 VAL H 3.500 3.500 8.500 4.129 4.096 4.167 . 0 0 "[ . 1 . 2 ]" 1 283 1 97 ARG HA 1 98 VAL H 0.000 . 2.700 2.146 2.110 2.157 . 0 0 "[ . 1 . 2 ]" 1 284 1 98 VAL H 1 99 ILE H 0.000 . 4.500 4.413 4.388 4.426 . 0 0 "[ . 1 . 2 ]" 1 285 1 99 ILE H 1 100 ASP H 3.500 3.500 8.500 4.305 4.264 4.340 . 0 0 "[ . 1 . 2 ]" 1 286 1 98 VAL HA 1 99 ILE H 0.000 . 2.700 2.151 2.143 2.170 . 0 0 "[ . 1 . 2 ]" 1 287 1 8 MET HA 1 9 ARG H 0.000 . 2.700 2.204 2.181 2.230 . 0 0 "[ . 1 . 2 ]" 1 288 1 8 MET H 1 9 ARG H 3.500 3.500 8.500 4.517 4.481 4.539 . 0 0 "[ . 1 . 2 ]" 1 289 1 101 CYS HA 1 104 ALA MB 0.000 . 3.500 2.223 2.073 2.592 . 0 0 "[ . 1 . 2 ]" 1 290 1 100 ASP HA 1 102 ARG H 0.000 . 3.600 3.599 3.562 3.643 0.043 10 0 "[ . 1 . 2 ]" 1 291 1 101 CYS QB 1 104 ALA MB 0.000 . 5.600 3.361 3.014 4.005 . 0 0 "[ . 1 . 2 ]" 1 292 1 101 CYS HA 1 104 ALA H 0.000 . 3.600 2.881 2.828 3.007 . 0 0 "[ . 1 . 2 ]" 1 293 1 105 SER QB 1 108 ALA H 0.000 . 4.800 3.162 2.733 3.958 . 0 0 "[ . 1 . 2 ]" 1 294 1 105 SER H 1 108 ALA H 0.000 . 5.000 3.908 3.747 4.228 . 0 0 "[ . 1 . 2 ]" 1 295 1 106 ALA MB 1 108 ALA H 0.000 . 5.300 4.408 4.354 4.422 . 0 0 "[ . 1 . 2 ]" 1 296 1 108 ALA H 1 110 LEU H 0.000 . 4.500 4.147 4.125 4.199 . 0 0 "[ . 1 . 2 ]" 1 297 1 106 ALA HA 1 109 LEU H 0.000 . 3.600 3.435 3.347 3.513 . 0 0 "[ . 1 . 2 ]" 1 298 1 107 PRO HA 1 109 LEU H 0.000 . 4.500 4.349 4.297 4.405 . 0 0 "[ . 1 . 2 ]" 1 299 1 107 PRO HA 1 111 ALA H 0.000 . 4.500 4.451 4.419 4.488 . 0 0 "[ . 1 . 2 ]" 1 300 1 110 LEU QB 1 112 ALA H 0.000 . 5.300 4.671 4.641 4.707 . 0 0 "[ . 1 . 2 ]" 1 301 1 110 LEU HA 1 113 LEU H 0.000 . 3.600 3.519 3.434 3.600 0.000 10 0 "[ . 1 . 2 ]" 1 302 1 111 ALA HA 1 114 THR H 0.000 . 3.600 3.598 3.571 3.616 0.016 10 0 "[ . 1 . 2 ]" 1 303 1 112 ALA H 1 114 THR H 0.000 . 4.500 4.396 4.346 4.443 . 0 0 "[ . 1 . 2 ]" 1 304 1 112 ALA HA 1 115 SER H 0.000 . 3.600 3.615 3.609 3.637 0.037 10 0 "[ . 1 . 2 ]" 1 305 1 114 THR HA 1 117 ALA H 0.000 . 3.600 3.605 3.546 3.617 0.017 8 0 "[ . 1 . 2 ]" 1 306 1 115 SER HA 1 118 LEU H 0.000 . 3.600 3.542 3.432 3.601 0.001 16 0 "[ . 1 . 2 ]" 1 307 1 17 LEU HA 1 20 ARG H 0.000 . 3.600 3.632 3.615 3.671 0.071 6 0 "[ . 1 . 2 ]" 1 308 1 18 ALA HA 1 21 LEU H 0.000 . 3.600 3.635 3.601 3.657 0.057 8 0 "[ . 1 . 2 ]" 1 309 1 19 GLU HA 1 22 ARG H 0.000 . 3.600 3.601 3.530 3.632 0.032 3 0 "[ . 1 . 2 ]" 1 310 1 22 ARG H 1 24 GLN H 0.000 . 4.500 4.163 4.122 4.226 . 0 0 "[ . 1 . 2 ]" 1 311 1 22 ARG HA 1 25 GLY H 0.000 . 3.600 3.626 3.613 3.642 0.042 15 0 "[ . 1 . 2 ]" 1 312 1 22 ARG HA 1 26 VAL H 0.000 . 3.200 3.051 2.936 3.199 . 0 0 "[ . 1 . 2 ]" 1 313 1 31 LEU MD1 1 35 TYR HD2 0.000 . 4.000 3.201 2.580 3.342 . 0 0 "[ . 1 . 2 ]" 1 314 1 31 LEU MD1 1 35 TYR HE2 0.000 . 4.300 3.176 2.708 3.570 . 0 0 "[ . 1 . 2 ]" 1 315 1 31 LEU MD2 1 35 TYR QB 0.000 . 4.800 2.417 2.109 2.762 . 0 0 "[ . 1 . 2 ]" 1 316 1 32 PRO HD2 1 35 TYR HD2 0.000 . 4.000 2.869 2.456 3.333 . 0 0 "[ . 1 . 2 ]" 1 317 1 31 LEU MD1 1 35 TYR HB3 0.000 . 4.300 3.594 3.584 3.616 . 0 0 "[ . 1 . 2 ]" 1 318 1 31 LEU MD1 1 35 TYR HB2 0.000 . 4.300 3.316 3.171 3.413 . 0 0 "[ . 1 . 2 ]" 1 319 1 33 LEU HA 1 35 TYR H 0.000 . 3.600 3.594 3.530 3.636 0.036 21 0 "[ . 1 . 2 ]" 1 320 1 39 GLU H 1 41 LEU H 0.000 . 4.500 4.406 4.364 4.463 . 0 0 "[ . 1 . 2 ]" 1 321 1 41 LEU H 1 43 ARG H 0.000 . 4.500 4.344 4.249 4.431 . 0 0 "[ . 1 . 2 ]" 1 322 1 41 LEU HA 1 44 VAL H 0.000 . 3.600 3.625 3.616 3.639 0.039 17 0 "[ . 1 . 2 ]" 1 323 1 42 ALA HA 1 45 ARG H 0.000 . 3.600 3.643 3.629 3.657 0.057 15 0 "[ . 1 . 2 ]" 1 324 1 43 ARG HA 1 47 GLU H 0.000 . 3.600 3.649 3.609 3.714 0.114 11 0 "[ . 1 . 2 ]" 1 325 1 49 LEU HA 1 51 GLY H 0.000 . 4.500 4.061 3.954 4.122 . 0 0 "[ . 1 . 2 ]" 1 326 1 49 LEU MD2 1 51 GLY H 0.000 . 4.800 4.017 4.008 4.027 . 0 0 "[ . 1 . 2 ]" 1 327 1 54 VAL MG1 1 56 SER H 0.000 . 4.800 4.048 4.031 4.058 . 0 0 "[ . 1 . 2 ]" 1 328 1 54 VAL MG2 1 56 SER H 0.000 . 4.800 3.795 3.565 3.953 . 0 0 "[ . 1 . 2 ]" 1 329 1 56 SER H 1 59 GLY QA 0.000 . 5.000 3.694 3.552 3.835 . 0 0 "[ . 1 . 2 ]" 1 330 1 56 SER H 1 59 GLY H 0.000 . 5.000 3.741 3.501 3.960 . 0 0 "[ . 1 . 2 ]" 1 331 1 56 SER H 1 60 LEU HB2 0.000 . 5.000 5.024 5.009 5.048 0.048 2 0 "[ . 1 . 2 ]" 1 332 1 59 GLY QA 1 61 GLN H 0.000 . 4.800 4.106 4.057 4.181 . 0 0 "[ . 1 . 2 ]" 1 333 1 59 GLY HA2 1 62 ASN H 0.000 . 3.600 3.538 3.486 3.603 0.003 3 0 "[ . 1 . 2 ]" 1 334 1 60 LEU HA 1 63 LEU H 0.000 . 3.600 3.499 3.419 3.561 . 0 0 "[ . 1 . 2 ]" 1 335 1 61 GLN HA 1 64 TYR H 0.000 . 3.600 3.449 3.423 3.481 . 0 0 "[ . 1 . 2 ]" 1 336 1 62 ASN HA 1 65 GLN H 0.000 . 3.600 3.455 3.354 3.571 . 0 0 "[ . 1 . 2 ]" 1 337 1 62 ASN HA 1 66 LEU H 0.000 . 4.500 4.142 4.055 4.267 . 0 0 "[ . 1 . 2 ]" 1 338 1 67 ALA MB 1 71 TRP HA 0.000 . 4.300 2.057 2.054 2.061 . 0 0 "[ . 1 . 2 ]" 1 339 1 67 ALA MB 1 71 TRP HE3 0.000 . 3.500 2.255 2.207 2.311 . 0 0 "[ . 1 . 2 ]" 1 340 1 67 ALA MB 1 71 TRP HZ3 0.000 . 4.800 3.681 3.609 3.768 . 0 0 "[ . 1 . 2 ]" 1 341 1 64 TYR HA 1 67 ALA H 0.000 . 3.600 3.586 3.546 3.609 0.009 4 0 "[ . 1 . 2 ]" 1 342 1 65 GLN HA 1 68 ALA H 0.000 . 3.600 3.605 3.566 3.616 0.016 6 0 "[ . 1 . 2 ]" 1 343 1 70 ASP H 1 74 ILE MD 0.000 . 5.300 4.078 3.957 4.168 . 0 0 "[ . 1 . 2 ]" 1 344 1 71 TRP HE3 1 74 ILE HB 0.000 . 4.000 2.943 2.917 2.992 . 0 0 "[ . 1 . 2 ]" 1 345 1 70 ASP HA 1 73 GLU H 0.000 . 3.600 3.645 3.637 3.654 0.054 6 0 "[ . 1 . 2 ]" 1 346 1 71 TRP HA 1 73 GLU H 0.000 . 4.500 4.127 4.098 4.175 . 0 0 "[ . 1 . 2 ]" 1 347 1 73 GLU H 1 75 GLY H 0.000 . 4.500 3.965 3.909 3.988 . 0 0 "[ . 1 . 2 ]" 1 348 1 71 TRP HA 1 74 ILE MG 0.000 . 4.800 3.994 3.962 4.006 . 0 0 "[ . 1 . 2 ]" 1 349 1 71 TRP HE3 1 74 ILE MG 0.000 . 4.000 3.354 3.346 3.363 . 0 0 "[ . 1 . 2 ]" 1 350 1 71 TRP HZ3 1 74 ILE MG 0.000 . 4.300 3.228 3.151 3.262 . 0 0 "[ . 1 . 2 ]" 1 351 1 71 TRP HA 1 74 ILE H 0.000 . 3.600 3.358 3.335 3.384 . 0 0 "[ . 1 . 2 ]" 1 352 1 74 ILE H 1 76 ARG H 0.000 . 4.500 4.254 4.211 4.352 . 0 0 "[ . 1 . 2 ]" 1 353 1 71 TRP HA 1 75 GLY H 0.000 . 4.000 3.716 3.665 3.783 . 0 0 "[ . 1 . 2 ]" 1 354 1 75 GLY H 1 77 LEU H 0.000 . 4.500 4.553 4.511 4.580 0.080 8 0 "[ . 1 . 2 ]" 1 355 1 73 GLU HA 1 76 ARG H 0.000 . 4.000 3.948 3.903 4.014 0.014 8 0 "[ . 1 . 2 ]" 1 356 1 81 VAL HA 1 83 SER H 0.000 . 4.500 4.169 4.122 4.248 . 0 0 "[ . 1 . 2 ]" 1 357 1 81 VAL MG2 1 83 SER H 0.000 . 3.500 2.930 2.925 2.937 . 0 0 "[ . 1 . 2 ]" 1 358 1 83 SER H 1 86 VAL H 0.000 . 4.000 3.790 3.756 3.911 . 0 0 "[ . 1 . 2 ]" 1 359 1 83 SER H 1 87 ALA MB 0.000 . 5.300 4.430 4.422 4.442 . 0 0 "[ . 1 . 2 ]" 1 360 1 83 SER H 1 87 ALA H 0.000 . 4.500 3.935 3.914 3.973 . 0 0 "[ . 1 . 2 ]" 1 361 1 84 PRO HA 1 87 ALA MB 0.000 . 3.500 2.567 2.492 2.633 . 0 0 "[ . 1 . 2 ]" 1 362 1 86 VAL HA 1 89 MET H 0.000 . 3.600 3.361 3.249 3.435 . 0 0 "[ . 1 . 2 ]" 1 363 1 87 ALA HA 1 89 MET H 2.700 2.700 7.700 4.416 4.373 4.467 . 0 0 "[ . 1 . 2 ]" 1 364 1 89 MET H 1 91 ARG H 0.000 . 4.500 4.220 4.172 4.515 0.015 14 0 "[ . 1 . 2 ]" 1 365 1 92 GLU H 1 94 GLY H 0.000 . 4.500 4.079 4.049 4.120 . 0 0 "[ . 1 . 2 ]" 1 366 1 91 ARG H 1 93 LEU H 0.000 . 4.500 4.240 4.072 4.310 . 0 0 "[ . 1 . 2 ]" 1 367 1 92 GLU HA 1 94 GLY H 0.000 . 4.000 3.883 3.803 3.921 . 0 0 "[ . 1 . 2 ]" 1 368 1 95 ALA MB 1 98 VAL MG2 0.000 . 4.300 2.026 1.914 2.132 . 0 0 "[ . 1 . 2 ]" 1 369 1 91 ARG HA 1 95 ALA H 0.000 . 3.200 3.221 3.115 3.239 0.039 6 0 "[ . 1 . 2 ]" 1 370 1 93 LEU QB 1 95 ALA H 0.000 . 4.300 3.020 2.750 3.096 . 0 0 "[ . 1 . 2 ]" 1 371 1 93 LEU H 1 95 ALA H 0.000 . 4.000 3.952 3.888 4.005 0.005 8 0 "[ . 1 . 2 ]" 1 372 1 95 ALA H 1 98 VAL MG2 0.000 . 4.800 4.037 4.021 4.049 . 0 0 "[ . 1 . 2 ]" 1 373 1 95 ALA HA 1 97 ARG H 0.000 . 4.000 4.015 3.983 4.044 0.044 10 0 "[ . 1 . 2 ]" 1 374 1 81 VAL MG2 1 101 CYS H 0.000 . 4.300 3.112 3.043 3.201 . 0 0 "[ . 1 . 2 ]" 1 375 1 83 SER HA 1 102 ARG H 0.000 . 4.500 4.392 4.096 4.522 0.022 10 0 "[ . 1 . 2 ]" 1 376 1 104 ALA MB 1 109 LEU MD2 0.000 . 4.300 2.260 1.928 2.413 . 0 0 "[ . 1 . 2 ]" 1 377 1 20 ARG QD 1 106 ALA MB 0.000 . 5.600 3.053 1.914 4.037 . 0 0 "[ . 1 . 2 ]" 1 378 1 21 LEU MD2 1 106 ALA MB 0.000 . 5.600 3.896 3.891 3.902 . 0 0 "[ . 1 . 2 ]" 1 379 1 101 CYS HA 1 109 LEU MD2 0.000 . 4.300 2.466 2.072 2.805 . 0 0 "[ . 1 . 2 ]" 1 380 1 101 CYS HB3 1 109 LEU MD2 0.000 . 3.500 2.299 2.053 2.916 . 0 0 "[ . 1 . 2 ]" 1 381 1 101 CYS HB2 1 109 LEU MD2 0.000 . 3.500 2.563 2.249 2.923 . 0 0 "[ . 1 . 2 ]" 1 382 1 80 PHE HD2 1 109 LEU MD2 0.000 . 3.500 2.267 2.108 2.522 . 0 0 "[ . 1 . 2 ]" 1 383 1 80 PHE HE2 1 109 LEU MD2 0.000 . 3.500 2.095 1.972 2.198 . 0 0 "[ . 1 . 2 ]" 1 384 1 104 ALA MB 1 109 LEU H 0.000 . 5.300 3.792 3.188 4.014 . 0 0 "[ . 1 . 2 ]" 1 385 1 80 PHE HE2 1 112 ALA MB 0.000 . 3.500 2.922 2.913 2.938 . 0 0 "[ . 1 . 2 ]" 1 386 1 99 ILE MD 1 112 ALA MB 0.000 . 4.800 2.446 2.177 2.718 . 0 0 "[ . 1 . 2 ]" 1 387 1 80 PHE HZ 1 113 LEU MD1 0.000 . 4.300 2.567 2.317 2.989 . 0 0 "[ . 1 . 2 ]" 1 388 1 80 PHE HE1 1 113 LEU MD2 0.000 . 4.300 3.041 2.755 3.314 . 0 0 "[ . 1 . 2 ]" 1 389 1 80 PHE HZ 1 113 LEU H 0.000 . 4.500 3.900 3.701 4.041 . 0 0 "[ . 1 . 2 ]" 1 390 1 3 PRO QB 1 114 THR MG 0.000 . 5.100 3.807 3.802 3.818 . 0 0 "[ . 1 . 2 ]" 1 391 1 3 PRO QG 1 114 THR MG 0.000 . 4.300 2.750 2.212 2.928 . 0 0 "[ . 1 . 2 ]" 1 392 1 99 ILE MD 1 116 ALA MB 0.000 . 5.600 3.899 3.892 3.908 . 0 0 "[ . 1 . 2 ]" 1 393 1 18 ALA HA 1 28 VAL MG2 0.000 . 4.300 2.705 2.082 3.104 . 0 0 "[ . 1 . 2 ]" 1 394 1 21 LEU MD1 1 28 VAL MG2 0.000 . 4.800 2.699 2.423 2.997 . 0 0 "[ . 1 . 2 ]" 1 395 1 5 VAL MG2 1 21 LEU MD1 0.000 . 4.800 1.971 1.884 2.012 . 0 0 "[ . 1 . 2 ]" 1 396 1 21 LEU MD1 1 80 PHE HD1 0.000 . 5.800 4.844 4.837 4.853 . 0 0 "[ . 1 . 2 ]" 1 397 1 21 LEU MD2 1 80 PHE HZ 0.000 . 5.800 4.876 4.866 4.886 . 0 0 "[ . 1 . 2 ]" 1 398 1 22 ARG H 1 28 VAL MG2 0.000 . 3.600 2.723 2.445 2.941 . 0 0 "[ . 1 . 2 ]" 1 399 1 24 GLN HE21 1 106 ALA MB 0.000 . 4.000 2.829 2.586 3.147 . 0 0 "[ . 1 . 2 ]" 1 400 1 24 GLN HE22 1 106 ALA HA 0.000 . 4.500 3.743 3.525 4.321 . 0 0 "[ . 1 . 2 ]" 1 401 1 24 GLN HE22 1 106 ALA MB 0.000 . 4.000 1.854 1.799 1.890 . 0 0 "[ . 1 . 2 ]" 1 402 1 24 GLN HE22 1 107 PRO QD 0.000 . 4.800 2.218 1.930 2.646 . 0 0 "[ . 1 . 2 ]" 1 403 1 3 PRO QD 1 26 VAL HA 0.000 . 4.300 3.368 3.048 3.658 . 0 0 "[ . 1 . 2 ]" 1 404 1 26 VAL MG2 1 110 LEU HA 0.000 . 4.300 3.583 3.502 3.603 . 0 0 "[ . 1 . 2 ]" 1 405 1 21 LEU HA 1 26 VAL H 0.000 . 4.500 4.455 4.281 4.514 0.014 14 0 "[ . 1 . 2 ]" 1 406 1 4 LYS QG 1 27 GLN HE22 0.000 . 4.800 3.179 2.981 3.357 . 0 0 "[ . 1 . 2 ]" 1 407 1 4 LYS HA 1 27 GLN H 0.000 . 3.600 3.159 3.010 3.268 . 0 0 "[ . 1 . 2 ]" 1 408 1 4 LYS QB 1 27 GLN H 0.000 . 5.800 5.007 4.823 5.114 . 0 0 "[ . 1 . 2 ]" 1 409 1 4 LYS QG 1 27 GLN H 0.000 . 5.800 3.811 3.619 3.936 . 0 0 "[ . 1 . 2 ]" 1 410 1 18 ALA HA 1 28 VAL MG1 0.000 . 4.300 2.063 2.049 2.074 . 0 0 "[ . 1 . 2 ]" 1 411 1 7 ILE MD 1 28 VAL MG1 0.000 . 4.300 1.809 1.794 1.821 . 0 0 "[ . 1 . 2 ]" 1 412 1 21 LEU QB 1 28 VAL MG2 0.000 . 4.800 1.967 1.859 2.139 . 0 0 "[ . 1 . 2 ]" 1 413 1 22 ARG QD 1 28 VAL MG2 0.000 . 5.600 3.662 2.702 4.165 . 0 0 "[ . 1 . 2 ]" 1 414 1 5 VAL MG2 1 29 ASP H 0.000 . 4.800 3.645 3.460 3.796 . 0 0 "[ . 1 . 2 ]" 1 415 1 6 LEU MD1 1 29 ASP H 0.000 . 4.800 3.954 3.717 4.005 . 0 0 "[ . 1 . 2 ]" 1 416 1 14 ARG QB 1 30 TYR HD1 0.000 . 4.800 4.079 3.322 4.377 . 0 0 "[ . 1 . 2 ]" 1 417 1 14 ARG QG 1 30 TYR HD1 0.000 . 4.800 4.220 3.360 4.323 . 0 0 "[ . 1 . 2 ]" 1 418 1 18 ALA MB 1 30 TYR HD2 0.000 . 4.800 4.017 4.000 4.026 . 0 0 "[ . 1 . 2 ]" 1 419 1 7 ILE MD 1 30 TYR HD2 0.000 . 4.800 3.505 3.230 4.001 . 0 0 "[ . 1 . 2 ]" 1 420 1 31 LEU MD1 1 39 GLU QB 0.000 . 4.800 3.575 3.566 3.591 . 0 0 "[ . 1 . 2 ]" 1 421 1 6 LEU MD1 1 31 LEU H 0.000 . 4.800 3.329 3.055 3.584 . 0 0 "[ . 1 . 2 ]" 1 422 1 8 MET HA 1 31 LEU H 0.000 . 4.000 3.942 3.725 4.039 0.039 18 0 "[ . 1 . 2 ]" 1 423 1 35 TYR H 1 66 LEU MD1 0.000 . 4.800 4.025 4.016 4.036 . 0 0 "[ . 1 . 2 ]" 1 424 1 37 ALA HA 1 66 LEU HA 0.000 . 2.700 2.104 2.091 2.192 . 0 0 "[ . 1 . 2 ]" 1 425 1 37 ALA H 1 66 LEU MD2 0.000 . 5.300 2.940 2.817 3.110 . 0 0 "[ . 1 . 2 ]" 1 426 1 38 GLY H 1 66 LEU HA 0.000 . 3.600 3.194 3.140 3.266 . 0 0 "[ . 1 . 2 ]" 1 427 1 38 GLY H 1 66 LEU MD2 0.000 . 4.300 3.597 3.591 3.604 . 0 0 "[ . 1 . 2 ]" 1 428 1 38 GLY H 1 68 ALA MB 0.000 . 4.000 3.364 3.356 3.373 . 0 0 "[ . 1 . 2 ]" 1 429 1 41 LEU H 1 74 ILE MD 0.000 . 4.300 3.586 3.544 3.592 . 0 0 "[ . 1 . 2 ]" 1 430 1 44 VAL HA 1 49 LEU MD1 0.000 . 3.500 2.025 2.002 2.080 . 0 0 "[ . 1 . 2 ]" 1 431 1 44 VAL HA 1 49 LEU H 0.000 . 3.200 3.141 2.879 3.215 0.015 14 0 "[ . 1 . 2 ]" 1 432 1 4 LYS H 1 50 ASN HB3 0.000 . 4.500 4.428 4.268 4.508 0.008 5 0 "[ . 1 . 2 ]" 1 433 1 4 LYS H 1 50 ASN HB2 0.000 . 4.000 3.016 2.808 3.125 . 0 0 "[ . 1 . 2 ]" 1 434 1 4 LYS H 1 50 ASN HD21 0.000 . 5.000 4.896 4.816 4.943 . 0 0 "[ . 1 . 2 ]" 1 435 1 4 LYS H 1 50 ASN HD22 0.000 . 5.000 4.301 4.178 4.377 . 0 0 "[ . 1 . 2 ]" 1 436 1 50 ASN HD21 1 113 LEU MD2 0.000 . 5.300 3.531 3.458 3.577 . 0 0 "[ . 1 . 2 ]" 1 437 1 50 ASN HD21 1 117 ALA HA 3.500 3.500 4.500 3.867 3.509 4.376 . 0 0 "[ . 1 . 2 ]" 1 438 1 50 ASN HD21 1 117 ALA MB 0.000 . 5.300 2.159 1.919 2.695 . 0 0 "[ . 1 . 2 ]" 1 439 1 3 PRO HA 1 50 ASN HD21 0.000 . 4.500 4.500 4.440 4.514 0.014 10 0 "[ . 1 . 2 ]" 1 440 1 50 ASN HD22 1 113 LEU MD2 0.000 . 5.300 4.460 4.443 4.479 . 0 0 "[ . 1 . 2 ]" 1 441 1 50 ASN HD22 1 117 ALA MB 0.000 . 4.800 2.652 2.319 3.198 . 0 0 "[ . 1 . 2 ]" 1 442 1 3 PRO HA 1 50 ASN HD22 0.000 . 4.000 3.524 3.431 3.643 . 0 0 "[ . 1 . 2 ]" 1 443 1 5 VAL HA 1 50 ASN H 0.000 . 5.000 3.810 3.758 3.894 . 0 0 "[ . 1 . 2 ]" 1 444 1 5 VAL MG1 1 50 ASN H 0.000 . 4.800 3.732 3.627 3.854 . 0 0 "[ . 1 . 2 ]" 1 445 1 5 VAL HA 1 51 GLY H 0.000 . 3.200 2.854 2.808 2.896 . 0 0 "[ . 1 . 2 ]" 1 446 1 5 VAL MG1 1 52 LEU H 0.000 . 4.800 4.030 4.022 4.037 . 0 0 "[ . 1 . 2 ]" 1 447 1 52 LEU H 1 77 LEU QB 0.000 . 4.800 3.950 3.629 4.147 . 0 0 "[ . 1 . 2 ]" 1 448 1 52 LEU H 1 78 PRO QB 0.000 . 4.800 4.306 4.283 4.318 . 0 0 "[ . 1 . 2 ]" 1 449 1 52 LEU H 1 78 PRO QD 0.000 . 5.300 4.656 4.076 4.736 . 0 0 "[ . 1 . 2 ]" 1 450 1 52 LEU H 1 79 LEU HA 0.000 . 3.200 3.071 2.952 3.207 0.007 21 0 "[ . 1 . 2 ]" 1 451 1 52 LEU H 1 80 PHE HD1 0.000 . 4.000 3.802 3.609 3.944 . 0 0 "[ . 1 . 2 ]" 1 452 1 52 LEU H 1 80 PHE HE1 0.000 . 4.500 4.180 3.961 4.394 . 0 0 "[ . 1 . 2 ]" 1 453 1 52 LEU H 1 80 PHE H 0.000 . 4.000 3.780 3.668 3.882 . 0 0 "[ . 1 . 2 ]" 1 454 1 53 VAL MG1 1 80 PHE HB2 0.000 . 4.000 2.518 2.399 2.606 . 0 0 "[ . 1 . 2 ]" 1 455 1 7 ILE HA 1 53 VAL H 0.000 . 4.000 3.193 3.030 3.316 . 0 0 "[ . 1 . 2 ]" 1 456 1 54 VAL MG1 1 60 LEU HA 0.000 . 3.500 2.470 2.159 2.868 . 0 0 "[ . 1 . 2 ]" 1 457 1 8 MET QB 1 54 VAL MG1 0.000 . 4.300 2.199 1.958 2.569 . 0 0 "[ . 1 . 2 ]" 1 458 1 8 MET QG 1 54 VAL MG1 0.000 . 4.300 2.512 1.931 2.996 . 0 0 "[ . 1 . 2 ]" 1 459 1 54 VAL MG2 1 82 PRO QD 0.000 . 4.800 2.817 2.055 3.214 . 0 0 "[ . 1 . 2 ]" 1 460 1 54 VAL H 1 80 PHE HB3 0.000 . 4.500 4.497 4.285 4.530 0.030 3 0 "[ . 1 . 2 ]" 1 461 1 54 VAL H 1 80 PHE HB2 0.000 . 4.000 3.371 3.144 3.556 . 0 0 "[ . 1 . 2 ]" 1 462 1 54 VAL H 1 80 PHE H 0.000 . 4.000 3.952 3.873 4.006 0.006 10 0 "[ . 1 . 2 ]" 1 463 1 54 VAL H 1 81 VAL HA 0.000 . 4.000 3.770 3.583 3.891 . 0 0 "[ . 1 . 2 ]" 1 464 1 33 LEU MD1 1 59 GLY H 0.000 . 4.800 4.035 4.022 4.048 . 0 0 "[ . 1 . 2 ]" 1 465 1 5 VAL MG1 1 51 GLY HA3 0.000 . 4.300 2.477 2.322 2.640 . 0 0 "[ . 1 . 2 ]" 1 466 1 5 VAL MG2 1 28 VAL HA 0.000 . 4.000 2.763 2.662 2.920 . 0 0 "[ . 1 . 2 ]" 1 467 1 5 VAL H 1 28 VAL HA 0.000 . 3.600 3.319 3.137 3.437 . 0 0 "[ . 1 . 2 ]" 1 468 1 5 VAL H 1 29 ASP H 0.000 . 4.000 4.010 3.943 4.029 0.029 17 0 "[ . 1 . 2 ]" 1 469 1 54 VAL HB 1 60 LEU H 0.000 . 4.000 3.480 3.276 3.764 . 0 0 "[ . 1 . 2 ]" 1 470 1 54 VAL MG2 1 60 LEU H 0.000 . 4.800 4.019 4.000 4.031 . 0 0 "[ . 1 . 2 ]" 1 471 1 61 GLN HE21 1 89 MET ME 0.000 . 4.000 2.389 2.160 2.740 . 0 0 "[ . 1 . 2 ]" 1 472 1 61 GLN HE21 1 93 LEU MD2 0.000 . 4.300 3.591 3.582 3.636 . 0 0 "[ . 1 . 2 ]" 1 473 1 61 GLN HE22 1 89 MET ME 0.000 . 4.000 3.005 2.456 3.375 . 0 0 "[ . 1 . 2 ]" 1 474 1 61 GLN HE22 1 93 LEU MD2 0.000 . 4.300 2.225 2.127 2.296 . 0 0 "[ . 1 . 2 ]" 1 475 1 33 LEU MD2 1 62 ASN HD21 0.000 . 4.300 2.822 2.088 3.269 . 0 0 "[ . 1 . 2 ]" 1 476 1 8 MET ME 1 62 ASN HD21 0.000 . 4.300 3.432 3.113 3.597 . 0 0 "[ . 1 . 2 ]" 1 477 1 33 LEU MD2 1 62 ASN HD22 0.000 . 4.800 3.923 3.282 4.034 . 0 0 "[ . 1 . 2 ]" 1 478 1 63 LEU MD2 1 71 TRP HH2 0.000 . 4.300 3.369 2.971 3.596 . 0 0 "[ . 1 . 2 ]" 1 479 1 63 LEU MD2 1 71 TRP HZ3 0.000 . 4.000 2.354 2.000 2.644 . 0 0 "[ . 1 . 2 ]" 1 480 1 8 MET ME 1 63 LEU H 0.000 . 4.300 2.249 2.068 2.753 . 0 0 "[ . 1 . 2 ]" 1 481 1 64 TYR HA 1 71 TRP HZ3 0.000 . 4.500 3.628 3.542 3.720 . 0 0 "[ . 1 . 2 ]" 1 482 1 64 TYR HD2 1 71 TRP HD1 0.000 . 5.000 4.979 4.934 4.999 . 0 0 "[ . 1 . 2 ]" 1 483 1 64 TYR HD2 1 71 TRP HE1 0.000 . 4.000 4.045 4.036 4.062 0.062 5 0 "[ . 1 . 2 ]" 1 484 1 64 TYR HD2 1 71 TRP HE3 0.000 . 4.500 4.016 3.972 4.057 . 0 0 "[ . 1 . 2 ]" 1 485 1 64 TYR HD2 1 71 TRP HH2 0.000 . 5.000 3.831 3.780 3.919 . 0 0 "[ . 1 . 2 ]" 1 486 1 64 TYR HD2 1 71 TRP HZ2 0.000 . 4.500 3.494 3.450 3.562 . 0 0 "[ . 1 . 2 ]" 1 487 1 64 TYR HD2 1 71 TRP HZ3 0.000 . 4.500 4.072 4.021 4.145 . 0 0 "[ . 1 . 2 ]" 1 488 1 64 TYR HD2 1 93 LEU HB3 0.000 . 4.000 2.580 2.475 2.694 . 0 0 "[ . 1 . 2 ]" 1 489 1 64 TYR HD2 1 93 LEU HB2 0.000 . 4.500 4.008 3.921 4.120 . 0 0 "[ . 1 . 2 ]" 1 490 1 64 TYR HD2 1 93 LEU MD1 0.000 . 4.300 2.336 2.247 2.427 . 0 0 "[ . 1 . 2 ]" 1 491 1 64 TYR HE2 1 71 TRP HB3 0.000 . 4.500 4.523 4.505 4.535 0.035 21 0 "[ . 1 . 2 ]" 1 492 1 64 TYR HE2 1 71 TRP HB2 0.000 . 4.500 4.427 4.415 4.452 . 0 0 "[ . 1 . 2 ]" 1 493 1 64 TYR HE2 1 71 TRP HD1 0.000 . 3.200 3.127 3.086 3.142 . 0 0 "[ . 1 . 2 ]" 1 494 1 64 TYR HE2 1 71 TRP HE1 0.000 . 3.500 2.432 2.413 2.440 . 0 0 "[ . 1 . 2 ]" 1 495 1 64 TYR HE2 1 71 TRP HE3 0.000 . 5.000 5.031 5.020 5.052 0.052 5 0 "[ . 1 . 2 ]" 1 496 1 64 TYR HE2 1 71 TRP HZ2 0.000 . 4.500 3.734 3.716 3.771 . 0 0 "[ . 1 . 2 ]" 1 497 1 64 TYR HE2 1 93 LEU HA 0.000 . 4.500 3.809 3.694 3.913 . 0 0 "[ . 1 . 2 ]" 1 498 1 64 TYR HE2 1 93 LEU HB3 0.000 . 4.000 2.840 2.823 2.854 . 0 0 "[ . 1 . 2 ]" 1 499 1 64 TYR HE2 1 93 LEU HB2 0.000 . 4.500 4.510 4.501 4.525 0.025 5 0 "[ . 1 . 2 ]" 1 500 1 64 TYR HE2 1 93 LEU MD1 0.000 . 4.800 4.015 4.011 4.018 . 0 0 "[ . 1 . 2 ]" 1 501 1 64 TYR H 1 93 LEU MD1 0.000 . 5.300 3.980 3.773 4.179 . 0 0 "[ . 1 . 2 ]" 1 502 1 40 LEU MD2 1 67 ALA HA 0.000 . 4.800 2.762 2.410 3.117 . 0 0 "[ . 1 . 2 ]" 1 503 1 67 ALA HA 1 74 ILE MD 0.000 . 4.300 2.071 2.056 2.109 . 0 0 "[ . 1 . 2 ]" 1 504 1 67 ALA MB 1 74 ILE MD 0.000 . 4.300 1.789 1.784 1.793 . 0 0 "[ . 1 . 2 ]" 1 505 1 67 ALA H 1 74 ILE MD 0.000 . 5.300 3.808 3.787 3.843 . 0 0 "[ . 1 . 2 ]" 1 506 1 38 GLY QA 1 68 ALA MB 0.000 . 5.600 3.752 3.631 3.861 . 0 0 "[ . 1 . 2 ]" 1 507 1 68 ALA H 1 74 ILE MD 0.000 . 5.800 4.509 4.486 4.531 . 0 0 "[ . 1 . 2 ]" 1 508 1 6 LEU H 1 51 GLY H 0.000 . 4.500 4.319 4.255 4.385 . 0 0 "[ . 1 . 2 ]" 1 509 1 6 LEU H 1 52 LEU HA 0.000 . 3.500 2.688 2.655 2.733 . 0 0 "[ . 1 . 2 ]" 1 510 1 71 TRP HE1 1 93 LEU HA 0.000 . 4.500 4.258 4.158 4.315 . 0 0 "[ . 1 . 2 ]" 1 511 1 71 TRP HE1 1 93 LEU HB3 0.000 . 3.600 3.408 3.283 3.457 . 0 0 "[ . 1 . 2 ]" 1 512 1 71 TRP HE1 1 94 GLY HA3 0.000 . 3.200 3.092 2.879 3.187 . 0 0 "[ . 1 . 2 ]" 1 513 1 64 TYR HA 1 71 TRP HE3 0.000 . 4.000 3.166 3.140 3.210 . 0 0 "[ . 1 . 2 ]" 1 514 1 41 LEU MD1 1 73 GLU H 0.000 . 5.800 4.675 4.480 4.842 . 0 0 "[ . 1 . 2 ]" 1 515 1 40 LEU QB 1 74 ILE MD 0.000 . 4.800 3.342 3.079 3.493 . 0 0 "[ . 1 . 2 ]" 1 516 1 41 LEU HA 1 74 ILE MD 0.000 . 3.500 2.666 2.460 2.879 . 0 0 "[ . 1 . 2 ]" 1 517 1 41 LEU QB 1 74 ILE MD 0.000 . 4.300 2.589 2.389 2.970 . 0 0 "[ . 1 . 2 ]" 1 518 1 41 LEU MD1 1 74 ILE H 0.000 . 5.800 3.726 3.505 4.039 . 0 0 "[ . 1 . 2 ]" 1 519 1 67 ALA MB 1 74 ILE H 0.000 . 5.300 4.305 4.262 4.356 . 0 0 "[ . 1 . 2 ]" 1 520 1 78 PRO HA 1 97 ARG QG 0.000 . 3.500 3.081 2.760 3.176 . 0 0 "[ . 1 . 2 ]" 1 521 1 78 PRO HA 1 99 ILE MD 0.000 . 4.800 3.341 3.173 3.724 . 0 0 "[ . 1 . 2 ]" 1 522 1 79 LEU MD2 1 90 ALA MB 0.000 . 4.300 2.044 1.857 2.358 . 0 0 "[ . 1 . 2 ]" 1 523 1 79 LEU H 1 95 ALA MB 0.000 . 5.300 4.360 4.221 4.421 . 0 0 "[ . 1 . 2 ]" 1 524 1 79 LEU H 1 97 ARG HB3 0.000 . 4.000 3.907 3.781 4.392 0.392 10 0 "[ . 1 . 2 ]" 1 525 1 79 LEU H 1 97 ARG QG 0.000 . 4.300 4.002 3.804 4.220 . 0 0 "[ . 1 . 2 ]" 1 526 1 79 LEU H 1 98 VAL HA 0.000 . 4.000 3.089 2.935 3.271 . 0 0 "[ . 1 . 2 ]" 1 527 1 79 LEU H 1 98 VAL MG1 0.000 . 5.800 4.603 4.405 4.808 . 0 0 "[ . 1 . 2 ]" 1 528 1 79 LEU H 1 99 ILE MD 0.000 . 4.800 3.697 3.512 3.948 . 0 0 "[ . 1 . 2 ]" 1 529 1 79 LEU H 1 99 ILE H 0.000 . 4.000 3.634 3.558 3.700 . 0 0 "[ . 1 . 2 ]" 1 530 1 7 ILE MD 1 18 ALA HA 0.000 . 4.000 2.597 2.057 3.158 . 0 0 "[ . 1 . 2 ]" 1 531 1 7 ILE MD 1 18 ALA MB 0.000 . 4.300 2.234 1.931 2.936 . 0 0 "[ . 1 . 2 ]" 1 532 1 7 ILE MD 1 30 TYR HA 0.000 . 4.000 3.360 3.347 3.377 . 0 0 "[ . 1 . 2 ]" 1 533 1 7 ILE H 1 29 ASP H 0.000 . 4.500 4.074 3.980 4.116 . 0 0 "[ . 1 . 2 ]" 1 534 1 7 ILE H 1 30 TYR HA 0.000 . 4.000 2.270 2.175 2.424 . 0 0 "[ . 1 . 2 ]" 1 535 1 80 PHE HD2 1 99 ILE HB 0.000 . 3.200 3.093 2.974 3.198 . 0 0 "[ . 1 . 2 ]" 1 536 1 51 GLY HA3 1 80 PHE HE1 0.000 . 3.200 3.018 2.700 3.218 0.018 8 0 "[ . 1 . 2 ]" 1 537 1 52 LEU QB 1 80 PHE H 0.000 . 5.300 4.004 3.931 4.106 . 0 0 "[ . 1 . 2 ]" 1 538 1 53 VAL HA 1 80 PHE H 0.000 . 3.200 2.917 2.804 3.045 . 0 0 "[ . 1 . 2 ]" 1 539 1 53 VAL MG2 1 80 PHE H 0.000 . 4.800 3.849 3.665 3.995 . 0 0 "[ . 1 . 2 ]" 1 540 1 54 VAL MG2 1 81 VAL HA 0.000 . 3.500 2.504 2.130 2.793 . 0 0 "[ . 1 . 2 ]" 1 541 1 81 VAL HA 1 86 VAL MG1 0.000 . 4.000 3.036 2.934 3.241 . 0 0 "[ . 1 . 2 ]" 1 542 1 81 VAL MG1 1 90 ALA MB 0.000 . 4.800 2.546 2.312 2.623 . 0 0 "[ . 1 . 2 ]" 1 543 1 81 VAL MG2 1 100 ASP HA 0.000 . 3.500 2.068 2.023 2.155 . 0 0 "[ . 1 . 2 ]" 1 544 1 81 VAL MG2 1 100 ASP QB 0.000 . 4.800 3.189 3.110 3.244 . 0 0 "[ . 1 . 2 ]" 1 545 1 81 VAL MG2 1 87 ALA HA 0.000 . 3.500 2.206 2.090 2.443 . 0 0 "[ . 1 . 2 ]" 1 546 1 81 VAL MG2 1 87 ALA MB 0.000 . 4.300 1.980 1.963 1.994 . 0 0 "[ . 1 . 2 ]" 1 547 1 81 VAL MG2 1 98 VAL MG1 0.000 . 4.300 2.668 2.554 2.822 . 0 0 "[ . 1 . 2 ]" 1 548 1 81 VAL H 1 100 ASP HA 0.000 . 3.200 3.211 3.199 3.225 0.025 10 0 "[ . 1 . 2 ]" 1 549 1 81 VAL H 1 99 ILE HB 0.000 . 4.000 4.011 3.985 4.022 0.022 21 0 "[ . 1 . 2 ]" 1 550 1 81 VAL H 1 99 ILE H 0.000 . 4.000 4.003 3.936 4.019 0.019 13 0 "[ . 1 . 2 ]" 1 551 1 87 ALA MB 1 100 ASP HB2 0.000 . 4.000 3.151 2.889 3.337 . 0 0 "[ . 1 . 2 ]" 1 552 1 87 ALA MB 1 98 VAL MG1 0.000 . 4.300 2.255 2.023 2.482 . 0 0 "[ . 1 . 2 ]" 1 553 1 81 VAL MG2 1 87 ALA H 0.000 . 4.300 2.825 2.546 2.999 . 0 0 "[ . 1 . 2 ]" 1 554 1 57 GLY QA 1 89 MET ME 0.000 . 4.300 3.152 2.209 3.209 . 0 0 "[ . 1 . 2 ]" 1 555 1 60 LEU MD2 1 89 MET ME 0.000 . 4.800 3.078 2.259 3.278 . 0 0 "[ . 1 . 2 ]" 1 556 1 8 MET ME 1 33 LEU MD1 0.000 . 4.300 3.019 3.001 3.037 . 0 0 "[ . 1 . 2 ]" 1 557 1 8 MET ME 1 63 LEU HA 0.000 . 3.500 2.644 2.406 2.918 . 0 0 "[ . 1 . 2 ]" 1 558 1 8 MET ME 1 63 LEU MD1 0.000 . 4.300 2.780 2.512 2.938 . 0 0 "[ . 1 . 2 ]" 1 559 1 8 MET H 1 54 VAL MG1 0.000 . 4.800 3.738 3.489 4.020 . 0 0 "[ . 1 . 2 ]" 1 560 1 91 ARG H 1 98 VAL MG1 0.000 . 4.800 3.738 3.484 3.867 . 0 0 "[ . 1 . 2 ]" 1 561 1 91 ARG H 1 98 VAL MG2 0.000 . 4.300 3.248 2.707 3.375 . 0 0 "[ . 1 . 2 ]" 1 562 1 60 LEU MD1 1 93 LEU MD1 0.000 . 4.800 2.760 2.568 2.899 . 0 0 "[ . 1 . 2 ]" 1 563 1 60 LEU MD2 1 93 LEU MD1 0.000 . 4.300 2.079 1.973 2.351 . 0 0 "[ . 1 . 2 ]" 1 564 1 61 GLN HA 1 93 LEU MD1 0.000 . 4.800 3.314 3.000 3.504 . 0 0 "[ . 1 . 2 ]" 1 565 1 64 TYR HA 1 93 LEU MD1 0.000 . 5.800 4.138 3.969 4.302 . 0 0 "[ . 1 . 2 ]" 1 566 1 64 TYR HB3 1 93 LEU MD1 0.000 . 5.300 3.757 3.631 3.903 . 0 0 "[ . 1 . 2 ]" 1 567 1 64 TYR HB2 1 93 LEU MD1 0.000 . 4.800 2.454 2.313 2.593 . 0 0 "[ . 1 . 2 ]" 1 568 1 71 TRP HH2 1 93 LEU MD1 0.000 . 5.800 3.184 3.032 3.290 . 0 0 "[ . 1 . 2 ]" 1 569 1 71 TRP HZ2 1 93 LEU MD1 0.000 . 4.800 3.416 3.261 3.504 . 0 0 "[ . 1 . 2 ]" 1 570 1 64 TYR HD2 1 93 LEU MD2 0.000 . 4.000 3.070 2.904 3.220 . 0 0 "[ . 1 . 2 ]" 1 571 1 64 TYR HE2 1 93 LEU MD2 0.000 . 4.000 3.333 3.257 3.347 . 0 0 "[ . 1 . 2 ]" 1 572 1 60 LEU MD2 1 93 LEU H 0.000 . 5.800 4.329 3.991 4.838 . 0 0 "[ . 1 . 2 ]" 1 573 1 71 TRP HE1 1 94 GLY H 0.000 . 5.000 4.768 4.591 4.866 . 0 0 "[ . 1 . 2 ]" 1 574 1 71 TRP HZ2 1 94 GLY H 0.000 . 4.000 3.954 3.873 4.003 0.003 14 0 "[ . 1 . 2 ]" 1 575 1 75 GLY HA3 1 95 ALA HA 0.000 . 3.600 3.249 3.108 3.315 . 0 0 "[ . 1 . 2 ]" 1 576 1 75 GLY HA2 1 95 ALA HA 0.000 . 3.600 3.467 3.325 3.625 0.025 8 0 "[ . 1 . 2 ]" 1 577 1 71 TRP HH2 1 95 ALA MB 0.000 . 4.300 3.106 2.971 3.247 . 0 0 "[ . 1 . 2 ]" 1 578 1 71 TRP HZ2 1 95 ALA MB 0.000 . 4.300 3.357 3.230 3.468 . 0 0 "[ . 1 . 2 ]" 1 579 1 75 GLY HA2 1 95 ALA MB 0.000 . 4.800 3.994 3.834 4.010 . 0 0 "[ . 1 . 2 ]" 1 580 1 71 TRP HE1 1 95 ALA H 0.000 . 5.000 4.864 4.562 4.984 . 0 0 "[ . 1 . 2 ]" 1 581 1 71 TRP HH2 1 95 ALA H 0.000 . 4.500 4.528 4.519 4.543 0.043 3 0 "[ . 1 . 2 ]" 1 582 1 71 TRP HZ2 1 95 ALA H 0.000 . 3.500 3.120 2.936 3.190 . 0 0 "[ . 1 . 2 ]" 1 583 1 72 PRO HA 1 96 GLN HE21 0.000 . 4.500 3.705 3.589 4.222 . 0 0 "[ . 1 . 2 ]" 1 584 1 75 GLY HA3 1 96 GLN HE21 0.000 . 4.000 3.955 3.152 4.014 0.014 12 0 "[ . 1 . 2 ]" 1 585 1 76 ARG QD 1 96 GLN HE21 0.000 . 4.800 4.302 3.776 4.374 . 0 0 "[ . 1 . 2 ]" 1 586 1 76 ARG QG 1 96 GLN HE21 0.000 . 4.300 2.840 2.246 2.964 . 0 0 "[ . 1 . 2 ]" 1 587 1 72 PRO HA 1 96 GLN HE22 0.000 . 4.500 4.560 4.553 4.568 0.068 4 0 "[ . 1 . 2 ]" 1 588 1 76 ARG QD 1 96 GLN HE22 0.000 . 4.800 3.124 2.955 4.344 . 0 0 "[ . 1 . 2 ]" 1 589 1 76 ARG QG 1 96 GLN HE22 0.000 . 4.300 2.069 1.905 3.563 . 0 0 "[ . 1 . 2 ]" 1 590 1 75 GLY HA3 1 96 GLN H 0.000 . 4.500 3.555 3.392 3.945 . 0 0 "[ . 1 . 2 ]" 1 591 1 75 GLY HA2 1 96 GLN H 0.000 . 4.500 3.967 3.792 4.412 . 0 0 "[ . 1 . 2 ]" 1 592 1 76 ARG HA 1 96 GLN H 0.000 . 4.000 3.818 3.440 3.968 . 0 0 "[ . 1 . 2 ]" 1 593 1 87 ALA HA 1 98 VAL MG1 0.000 . 3.500 2.522 2.067 2.815 . 0 0 "[ . 1 . 2 ]" 1 594 1 91 ARG HA 1 98 VAL MG2 0.000 . 3.500 2.834 2.663 2.935 . 0 0 "[ . 1 . 2 ]" 1 595 1 80 PHE HE2 1 99 ILE MD 0.000 . 4.000 3.037 2.776 3.144 . 0 0 "[ . 1 . 2 ]" 1 596 1 80 PHE HA 1 99 ILE MG 0.000 . 4.000 3.373 3.364 3.384 . 0 0 "[ . 1 . 2 ]" 1 597 1 80 PHE HD2 1 99 ILE MG 0.000 . 3.500 2.364 2.288 2.458 . 0 0 "[ . 1 . 2 ]" 1 598 1 80 PHE HE2 1 99 ILE MG 0.000 . 4.000 2.890 2.681 3.065 . 0 0 "[ . 1 . 2 ]" 1 599 1 79 LEU HB3 1 99 ILE H 0.000 . 4.000 3.746 3.608 3.918 . 0 0 "[ . 1 . 2 ]" 1 600 1 80 PHE HA 1 99 ILE H 0.000 . 3.600 3.603 3.562 3.624 0.024 21 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 76 _Distance_constraint_stats_list.Viol_count 0 _Distance_constraint_stats_list.Viol_total 0.000 _Distance_constraint_stats_list.Viol_max 0.000 _Distance_constraint_stats_list.Viol_rms 0.0000 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0000 _Distance_constraint_stats_list.Viol_average_violations_only 0.0000 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 8 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 24 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 32 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 50 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 56 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 71 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 83 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 89 MET 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 96 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 99 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 101 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 105 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 114 THR 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 115 SER 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 116 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 117 ALA 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 4 LYS H 1 50 ASN OD1 2.200 . 2.600 2.107 2.078 2.127 . 0 0 "[ . 1 . 2 ]" 2 2 1 5 VAL H 1 27 GLN O 2.200 . 2.600 2.250 2.202 2.309 . 0 0 "[ . 1 . 2 ]" 2 3 1 6 LEU H 1 51 GLY O 2.200 . 2.600 2.340 2.296 2.422 . 0 0 "[ . 1 . 2 ]" 2 4 1 7 ILE H 1 29 ASP O 2.200 . 2.600 2.056 2.026 2.108 . 0 0 "[ . 1 . 2 ]" 2 5 1 8 MET H 1 53 VAL O 2.200 . 2.600 2.158 2.063 2.244 . 0 0 "[ . 1 . 2 ]" 2 6 1 13 GLY O 1 17 LEU H 2.200 . 2.600 2.331 2.239 2.401 . 0 0 "[ . 1 . 2 ]" 2 7 1 14 ARG O 1 18 ALA H 2.200 . 2.600 2.204 2.005 2.363 . 0 0 "[ . 1 . 2 ]" 2 8 1 15 GLU O 1 19 GLU H 2.200 . 2.600 2.075 2.007 2.210 . 0 0 "[ . 1 . 2 ]" 2 9 1 16 PHE O 1 20 ARG H 2.200 . 2.600 2.314 2.164 2.431 . 0 0 "[ . 1 . 2 ]" 2 10 1 17 LEU O 1 21 LEU H 2.200 . 2.600 2.333 2.246 2.423 . 0 0 "[ . 1 . 2 ]" 2 11 1 18 ALA O 1 22 ARG H 2.200 . 2.600 2.056 1.947 2.134 . 0 0 "[ . 1 . 2 ]" 2 12 1 19 GLU O 1 23 GLY H 2.200 . 2.600 2.053 2.007 2.118 . 0 0 "[ . 1 . 2 ]" 2 13 1 20 ARG O 1 24 GLN H 2.200 . 2.600 2.480 2.438 2.544 . 0 0 "[ . 1 . 2 ]" 2 14 1 22 ARG O 1 25 GLY H 2.200 . 2.600 1.965 1.945 1.986 . 0 0 "[ . 1 . 2 ]" 2 15 1 21 LEU O 1 26 VAL H 2.200 . 2.600 2.142 2.049 2.196 . 0 0 "[ . 1 . 2 ]" 2 16 1 3 PRO O 1 27 GLN H 2.200 . 2.600 2.118 2.062 2.143 . 0 0 "[ . 1 . 2 ]" 2 17 1 2 ASP O 1 27 GLN HE21 2.200 . 2.600 2.222 2.194 2.259 . 0 0 "[ . 1 . 2 ]" 2 18 1 5 VAL O 1 29 ASP H 2.200 . 2.600 2.345 2.300 2.371 . 0 0 "[ . 1 . 2 ]" 2 19 1 7 ILE O 1 31 LEU H 2.200 . 2.600 2.191 2.086 2.254 . 0 0 "[ . 1 . 2 ]" 2 20 1 32 PRO O 1 35 TYR H 2.200 . 2.600 2.239 2.207 2.279 . 0 0 "[ . 1 . 2 ]" 2 21 1 38 GLY H 1 66 LEU O 2.200 . 2.600 2.176 2.149 2.204 . 0 0 "[ . 1 . 2 ]" 2 22 1 36 PRO O 1 39 GLU H 2.200 . 2.600 2.351 2.310 2.428 . 0 0 "[ . 1 . 2 ]" 2 23 1 38 GLY O 1 42 ALA H 2.200 . 2.600 2.296 2.224 2.333 . 0 0 "[ . 1 . 2 ]" 2 24 1 39 GLU O 1 43 ARG H 2.200 . 2.600 2.141 2.086 2.268 . 0 0 "[ . 1 . 2 ]" 2 25 1 40 LEU O 1 44 VAL H 2.200 . 2.600 2.202 2.174 2.230 . 0 0 "[ . 1 . 2 ]" 2 26 1 41 LEU O 1 45 ARG H 2.200 . 2.600 2.187 2.148 2.233 . 0 0 "[ . 1 . 2 ]" 2 27 1 42 ALA O 1 46 ALA H 2.200 . 2.600 2.054 1.973 2.106 . 0 0 "[ . 1 . 2 ]" 2 28 1 43 ARG O 1 47 GLU H 2.200 . 2.600 2.081 2.032 2.187 . 0 0 "[ . 1 . 2 ]" 2 29 1 44 VAL O 1 49 LEU H 2.200 . 2.600 2.263 2.193 2.317 . 0 0 "[ . 1 . 2 ]" 2 30 1 4 LYS O 1 50 ASN H 2.200 . 2.600 1.995 1.967 2.051 . 0 0 "[ . 1 . 2 ]" 2 31 1 4 LYS O 1 51 GLY H 2.200 . 2.600 2.413 2.376 2.456 . 0 0 "[ . 1 . 2 ]" 2 32 1 52 LEU H 1 78 PRO O 2.200 . 2.600 2.219 2.154 2.289 . 0 0 "[ . 1 . 2 ]" 2 33 1 6 LEU O 1 53 VAL H 2.200 . 2.600 2.108 2.060 2.190 . 0 0 "[ . 1 . 2 ]" 2 34 1 54 VAL H 1 80 PHE O 2.200 . 2.600 2.274 2.202 2.339 . 0 0 "[ . 1 . 2 ]" 2 35 1 56 SER O 1 60 LEU H 2.200 . 2.600 2.260 2.233 2.288 . 0 0 "[ . 1 . 2 ]" 2 36 1 57 GLY O 1 61 GLN H 2.200 . 2.600 2.108 2.055 2.188 . 0 0 "[ . 1 . 2 ]" 2 37 1 58 GLN O 1 62 ASN H 2.200 . 2.600 2.181 2.113 2.235 . 0 0 "[ . 1 . 2 ]" 2 38 1 59 GLY O 1 63 LEU H 2.200 . 2.600 2.080 1.992 2.150 . 0 0 "[ . 1 . 2 ]" 2 39 1 60 LEU O 1 64 TYR H 2.200 . 2.600 2.269 2.231 2.339 . 0 0 "[ . 1 . 2 ]" 2 40 1 61 GLN O 1 65 GLN H 2.200 . 2.600 2.207 2.147 2.271 . 0 0 "[ . 1 . 2 ]" 2 41 1 62 ASN O 1 66 LEU H 2.200 . 2.600 2.059 2.013 2.084 . 0 0 "[ . 1 . 2 ]" 2 42 1 63 LEU O 1 67 ALA H 2.200 . 2.600 2.050 2.004 2.115 . 0 0 "[ . 1 . 2 ]" 2 43 1 64 TYR O 1 68 ALA H 2.200 . 2.600 2.263 2.232 2.278 . 0 0 "[ . 1 . 2 ]" 2 44 1 67 ALA O 1 70 ASP H 2.200 . 2.600 2.280 2.253 2.333 . 0 0 "[ . 1 . 2 ]" 2 45 1 68 ALA O 1 71 TRP H 2.200 . 2.600 2.144 2.119 2.176 . 0 0 "[ . 1 . 2 ]" 2 46 1 71 TRP HE1 1 93 LEU O 2.200 . 2.600 2.086 2.048 2.120 . 0 0 "[ . 1 . 2 ]" 2 47 1 70 ASP O 1 73 GLU H 2.200 . 2.600 2.098 2.079 2.117 . 0 0 "[ . 1 . 2 ]" 2 48 1 70 ASP O 1 74 ILE H 2.200 . 2.600 2.255 2.222 2.276 . 0 0 "[ . 1 . 2 ]" 2 49 1 71 TRP O 1 75 GLY H 2.200 . 2.600 1.915 1.888 1.950 . 0 0 "[ . 1 . 2 ]" 2 50 1 73 GLU O 1 76 ARG H 2.200 . 2.600 2.112 2.092 2.141 . 0 0 "[ . 1 . 2 ]" 2 51 1 74 ILE O 1 77 LEU H 2.200 . 2.600 2.092 2.022 2.206 . 0 0 "[ . 1 . 2 ]" 2 52 1 79 LEU H 1 97 ARG O 2.200 . 2.600 2.280 2.236 2.409 . 0 0 "[ . 1 . 2 ]" 2 53 1 52 LEU O 1 80 PHE H 2.200 . 2.600 1.996 1.936 2.039 . 0 0 "[ . 1 . 2 ]" 2 54 1 81 VAL H 1 99 ILE O 2.200 . 2.600 2.089 2.059 2.104 . 0 0 "[ . 1 . 2 ]" 2 55 1 83 SER OG 1 86 VAL H 2.200 . 2.600 2.273 2.247 2.334 . 0 0 "[ . 1 . 2 ]" 2 56 1 83 SER O 1 87 ALA H 2.200 . 2.600 2.149 2.125 2.184 . 0 0 "[ . 1 . 2 ]" 2 57 1 84 PRO O 1 88 GLU H 2.200 . 2.600 2.086 2.063 2.106 . 0 0 "[ . 1 . 2 ]" 2 58 1 85 ARG O 1 89 MET H 2.200 . 2.600 2.299 2.260 2.363 . 0 0 "[ . 1 . 2 ]" 2 59 1 86 VAL O 1 90 ALA H 2.200 . 2.600 2.181 2.075 2.241 . 0 0 "[ . 1 . 2 ]" 2 60 1 87 ALA O 1 91 ARG H 2.200 . 2.600 2.142 2.113 2.182 . 0 0 "[ . 1 . 2 ]" 2 61 1 88 GLU O 1 92 GLU H 2.200 . 2.600 2.130 2.084 2.423 . 0 0 "[ . 1 . 2 ]" 2 62 1 89 MET O 1 93 LEU H 2.200 . 2.600 2.312 2.023 2.389 . 0 0 "[ . 1 . 2 ]" 2 63 1 91 ARG O 1 94 GLY H 2.200 . 2.600 1.981 1.966 2.024 . 0 0 "[ . 1 . 2 ]" 2 64 1 90 ALA O 1 95 ALA H 2.200 . 2.600 2.206 2.173 2.319 . 0 0 "[ . 1 . 2 ]" 2 65 1 75 GLY O 1 96 GLN H 2.200 . 2.600 2.181 2.147 2.211 . 0 0 "[ . 1 . 2 ]" 2 66 1 79 LEU O 1 99 ILE H 2.200 . 2.600 2.049 2.015 2.078 . 0 0 "[ . 1 . 2 ]" 2 67 1 81 VAL O 1 101 CYS H 2.200 . 2.600 2.245 2.166 2.369 . 0 0 "[ . 1 . 2 ]" 2 68 1 105 SER O 1 109 LEU H 2.200 . 2.600 2.142 2.004 2.169 . 0 0 "[ . 1 . 2 ]" 2 69 1 106 ALA O 1 110 LEU H 2.200 . 2.600 2.280 2.257 2.359 . 0 0 "[ . 1 . 2 ]" 2 70 1 107 PRO O 1 111 ALA H 2.200 . 2.600 2.223 2.204 2.247 . 0 0 "[ . 1 . 2 ]" 2 71 1 108 ALA O 1 112 ALA H 2.200 . 2.600 2.148 2.078 2.178 . 0 0 "[ . 1 . 2 ]" 2 72 1 109 LEU O 1 113 LEU H 2.200 . 2.600 2.161 2.127 2.199 . 0 0 "[ . 1 . 2 ]" 2 73 1 110 LEU O 1 114 THR H 2.200 . 2.600 2.334 2.303 2.374 . 0 0 "[ . 1 . 2 ]" 2 74 1 111 ALA O 1 115 SER H 2.200 . 2.600 2.097 2.032 2.137 . 0 0 "[ . 1 . 2 ]" 2 75 1 112 ALA O 1 116 ALA H 2.200 . 2.600 2.067 2.020 2.100 . 0 0 "[ . 1 . 2 ]" 2 76 1 113 LEU O 1 117 ALA H 2.200 . 2.600 2.227 2.180 2.284 . 0 0 "[ . 1 . 2 ]" 2 stop_ save_
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