NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
507341 | 2ee8 | 10148 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ee8 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 36 _Distance_constraint_stats_list.Viol_count 52 _Distance_constraint_stats_list.Viol_total 1.645 _Distance_constraint_stats_list.Viol_max 0.006 _Distance_constraint_stats_list.Viol_rms 0.0005 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0001 _Distance_constraint_stats_list.Viol_average_violations_only 0.0016 _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 20 CYS 0.008 0.002 18 0 "[ . 1 . 2]" 1 23 CYS 0.008 0.002 2 0 "[ . 1 . 2]" 1 36 HIS 0.006 0.003 4 0 "[ . 1 . 2]" 1 40 HIS 0.003 0.002 10 0 "[ . 1 . 2]" 1 48 CYS 0.026 0.006 17 0 "[ . 1 . 2]" 1 51 CYS 0.013 0.004 9 0 "[ . 1 . 2]" 1 64 HIS 0.022 0.006 17 0 "[ . 1 . 2]" 1 68 HIS 0.021 0.005 17 0 "[ . 1 . 2]" 1 76 CYS 0.004 0.002 16 0 "[ . 1 . 2]" 1 79 CYS 0.006 0.002 13 0 "[ . 1 . 2]" 1 92 HIS 0.007 0.003 11 0 "[ . 1 . 2]" 1 96 HIS 0.003 0.002 13 0 "[ . 1 . 2]" 2 1 ZN 0.012 0.003 4 0 "[ . 1 . 2]" 3 1 ZN 0.018 0.005 17 0 "[ . 1 . 2]" 4 1 ZN 0.008 0.003 11 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 20 CYS SG 2 1 ZN ZN . 2.190 2.390 2.344 2.238 2.391 0.001 8 0 "[ . 1 . 2]" 1 2 1 23 CYS SG 2 1 ZN ZN . 2.190 2.390 2.269 2.188 2.368 0.002 2 0 "[ . 1 . 2]" 1 3 1 36 HIS NE2 2 1 ZN ZN . . 2.100 2.029 1.927 2.103 0.003 4 0 "[ . 1 . 2]" 1 4 1 40 HIS NE2 2 1 ZN ZN . . 2.100 1.958 1.898 2.076 0.002 10 0 "[ . 1 . 2]" 1 5 1 20 CYS CB 2 1 ZN ZN . 3.250 3.510 3.300 3.249 3.381 0.001 12 0 "[ . 1 . 2]" 1 6 1 23 CYS CB 2 1 ZN ZN . 3.250 3.510 3.438 3.301 3.505 . 0 0 "[ . 1 . 2]" 1 7 1 20 CYS SG 1 23 CYS SG . 3.560 3.960 3.859 3.577 3.962 0.002 18 0 "[ . 1 . 2]" 1 8 1 20 CYS SG 1 36 HIS NE2 . 3.320 3.720 3.533 3.337 3.714 . 0 0 "[ . 1 . 2]" 1 9 1 20 CYS SG 1 40 HIS NE2 . 3.320 3.720 3.617 3.458 3.721 0.001 4 0 "[ . 1 . 2]" 1 10 1 23 CYS SG 1 36 HIS NE2 . 3.320 3.720 3.361 3.319 3.533 0.001 15 0 "[ . 1 . 2]" 1 11 1 23 CYS SG 1 40 HIS NE2 . 3.320 3.720 3.568 3.390 3.718 . 0 0 "[ . 1 . 2]" 1 12 1 36 HIS NE2 1 40 HIS NE2 . 3.000 3.600 3.067 2.999 3.235 0.001 20 0 "[ . 1 . 2]" 1 13 1 48 CYS SG 3 1 ZN ZN . 2.190 2.390 2.342 2.217 2.395 0.005 17 0 "[ . 1 . 2]" 1 14 1 51 CYS SG 3 1 ZN ZN . 2.190 2.390 2.256 2.189 2.389 0.001 9 0 "[ . 1 . 2]" 1 15 1 64 HIS NE2 3 1 ZN ZN . . 2.100 2.060 1.921 2.103 0.003 4 0 "[ . 1 . 2]" 1 16 1 68 HIS NE2 3 1 ZN ZN . . 2.100 2.021 1.902 2.100 0.000 1 0 "[ . 1 . 2]" 1 17 1 48 CYS CB 3 1 ZN ZN . 3.250 3.510 3.369 3.247 3.509 0.003 15 0 "[ . 1 . 2]" 1 18 1 51 CYS CB 3 1 ZN ZN . 3.250 3.510 3.465 3.259 3.512 0.002 6 0 "[ . 1 . 2]" 1 19 1 48 CYS SG 1 51 CYS SG . 3.560 3.960 3.596 3.556 3.800 0.004 9 0 "[ . 1 . 2]" 1 20 1 48 CYS SG 1 64 HIS NE2 . 3.320 3.720 3.616 3.382 3.726 0.006 17 0 "[ . 1 . 2]" 1 21 1 48 CYS SG 1 68 HIS NE2 . 3.320 3.720 3.422 3.317 3.685 0.003 8 0 "[ . 1 . 2]" 1 22 1 51 CYS SG 1 64 HIS NE2 . 3.320 3.720 3.422 3.321 3.697 . 0 0 "[ . 1 . 2]" 1 23 1 51 CYS SG 1 68 HIS NE2 . 3.320 3.720 3.628 3.458 3.722 0.002 6 0 "[ . 1 . 2]" 1 24 1 64 HIS NE2 1 68 HIS NE2 . 3.000 3.600 3.478 3.046 3.605 0.005 17 0 "[ . 1 . 2]" 1 25 1 76 CYS SG 4 1 ZN ZN . 2.190 2.390 2.309 2.192 2.392 0.002 16 0 "[ . 1 . 2]" 1 26 1 79 CYS SG 4 1 ZN ZN . 2.190 2.390 2.258 2.190 2.388 0.000 15 0 "[ . 1 . 2]" 1 27 1 92 HIS NE2 4 1 ZN ZN . . 2.100 2.000 1.897 2.093 0.003 11 0 "[ . 1 . 2]" 1 28 1 96 HIS NE2 4 1 ZN ZN . . 2.100 2.027 1.931 2.097 . 0 0 "[ . 1 . 2]" 1 29 1 76 CYS CB 4 1 ZN ZN . 3.250 3.510 3.326 3.249 3.510 0.001 3 0 "[ . 1 . 2]" 1 30 1 79 CYS CB 4 1 ZN ZN . 3.250 3.510 3.402 3.251 3.511 0.001 5 0 "[ . 1 . 2]" 1 31 1 76 CYS SG 1 79 CYS SG . 3.560 3.960 3.743 3.590 3.925 . 0 0 "[ . 1 . 2]" 1 32 1 76 CYS SG 1 92 HIS NE2 . 3.320 3.720 3.547 3.342 3.720 . 0 0 "[ . 1 . 2]" 1 33 1 76 CYS SG 1 96 HIS NE2 . 3.320 3.720 3.583 3.368 3.709 . 0 0 "[ . 1 . 2]" 1 34 1 79 CYS SG 1 92 HIS NE2 . 3.320 3.720 3.421 3.319 3.714 0.001 15 0 "[ . 1 . 2]" 1 35 1 79 CYS SG 1 96 HIS NE2 . 3.320 3.720 3.615 3.401 3.722 0.002 13 0 "[ . 1 . 2]" 1 36 1 92 HIS NE2 1 96 HIS NE2 . 3.000 3.600 3.102 2.999 3.517 0.001 15 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 1077 _Distance_constraint_stats_list.Viol_count 314 _Distance_constraint_stats_list.Viol_total 143.343 _Distance_constraint_stats_list.Viol_max 0.205 _Distance_constraint_stats_list.Viol_rms 0.0048 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0003 _Distance_constraint_stats_list.Viol_average_violations_only 0.0228 _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 10 LEU 0.181 0.181 6 0 "[ . 1 . 2]" 1 11 PRO 0.181 0.181 6 0 "[ . 1 . 2]" 1 15 LYS 0.166 0.101 16 0 "[ . 1 . 2]" 1 16 LYS 0.257 0.029 20 0 "[ . 1 . 2]" 1 17 GLU 0.489 0.077 12 0 "[ . 1 . 2]" 1 18 PHE 0.189 0.057 3 0 "[ . 1 . 2]" 1 19 ILE 0.064 0.034 15 0 "[ . 1 . 2]" 1 20 CYS 0.086 0.020 6 0 "[ . 1 . 2]" 1 21 LYS 0.051 0.015 11 0 "[ . 1 . 2]" 1 22 PHE 0.009 0.004 6 0 "[ . 1 . 2]" 1 23 CYS 0.089 0.039 18 0 "[ . 1 . 2]" 1 24 GLY 0.153 0.039 18 0 "[ . 1 . 2]" 1 25 ARG 0.234 0.055 11 0 "[ . 1 . 2]" 1 26 HIS 0.134 0.036 7 0 "[ . 1 . 2]" 1 27 PHE 0.029 0.007 7 0 "[ . 1 . 2]" 1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 LYS 0.072 0.047 12 0 "[ . 1 . 2]" 1 30 SER 0.047 0.041 12 0 "[ . 1 . 2]" 1 31 TYR 0.028 0.013 19 0 "[ . 1 . 2]" 1 32 ASN 0.054 0.047 12 0 "[ . 1 . 2]" 1 33 LEU 0.112 0.041 12 0 "[ . 1 . 2]" 1 34 LEU 0.000 0.000 2 0 "[ . 1 . 2]" 1 35 ILE 0.271 0.068 20 0 "[ . 1 . 2]" 1 36 HIS 0.114 0.056 20 0 "[ . 1 . 2]" 1 37 GLU 0.004 0.002 1 0 "[ . 1 . 2]" 1 38 ARG 0.234 0.068 20 0 "[ . 1 . 2]" 1 39 THR 0.059 0.034 20 0 "[ . 1 . 2]" 1 40 HIS 0.002 0.002 15 0 "[ . 1 . 2]" 1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 ASP 0.054 0.036 3 0 "[ . 1 . 2]" 1 43 GLU 0.311 0.072 19 0 "[ . 1 . 2]" 1 44 ARG 0.014 0.008 9 0 "[ . 1 . 2]" 1 45 PRO 0.025 0.014 19 0 "[ . 1 . 2]" 1 46 TYR 0.514 0.065 1 0 "[ . 1 . 2]" 1 47 THR 0.359 0.065 1 0 "[ . 1 . 2]" 1 48 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 ILE 0.030 0.025 6 0 "[ . 1 . 2]" 1 51 CYS 0.025 0.025 6 0 "[ . 1 . 2]" 1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 LYS 0.010 0.006 7 0 "[ . 1 . 2]" 1 54 ALA 0.008 0.004 15 0 "[ . 1 . 2]" 1 55 PHE 0.027 0.017 13 0 "[ . 1 . 2]" 1 56 ARG 0.041 0.041 13 0 "[ . 1 . 2]" 1 57 ARG 0.106 0.041 13 0 "[ . 1 . 2]" 1 58 GLN 0.012 0.005 7 0 "[ . 1 . 2]" 1 59 ASP 0.010 0.005 9 0 "[ . 1 . 2]" 1 60 HIS 0.069 0.014 7 0 "[ . 1 . 2]" 1 61 LEU 0.051 0.040 15 0 "[ . 1 . 2]" 1 62 ARG 1.042 0.111 8 0 "[ . 1 . 2]" 1 63 ASP 0.438 0.101 9 0 "[ . 1 . 2]" 1 64 HIS 0.271 0.109 17 0 "[ . 1 . 2]" 1 65 ARG 0.579 0.109 17 0 "[ . 1 . 2]" 1 66 TYR 0.774 0.138 15 0 "[ . 1 . 2]" 1 67 ILE 0.001 0.001 2 0 "[ . 1 . 2]" 1 68 HIS 0.003 0.003 6 0 "[ . 1 . 2]" 1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 72 LYS 0.013 0.013 12 0 "[ . 1 . 2]" 1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 PHE 0.138 0.064 9 0 "[ . 1 . 2]" 1 75 LYS 0.338 0.081 12 0 "[ . 1 . 2]" 1 76 CYS 0.058 0.034 11 0 "[ . 1 . 2]" 1 77 GLN 0.006 0.006 7 0 "[ . 1 . 2]" 1 78 GLU 0.011 0.006 7 0 "[ . 1 . 2]" 1 79 CYS 0.004 0.002 15 0 "[ . 1 . 2]" 1 80 GLY 0.003 0.002 2 0 "[ . 1 . 2]" 1 81 LYS 0.069 0.032 16 0 "[ . 1 . 2]" 1 82 GLY 0.017 0.011 19 0 "[ . 1 . 2]" 1 83 PHE 0.045 0.032 16 0 "[ . 1 . 2]" 1 84 CYS 0.138 0.058 18 0 "[ . 1 . 2]" 1 85 GLN 0.138 0.058 18 0 "[ . 1 . 2]" 1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 87 ARG 0.063 0.044 13 0 "[ . 1 . 2]" 1 88 THR 0.092 0.041 20 0 "[ . 1 . 2]" 1 89 LEU 0.021 0.012 1 0 "[ . 1 . 2]" 1 90 ALA 0.111 0.028 18 0 "[ . 1 . 2]" 1 91 VAL 0.001 0.001 2 0 "[ . 1 . 2]" 1 92 HIS 0.066 0.041 20 0 "[ . 1 . 2]" 1 93 LYS 0.545 0.146 15 0 "[ . 1 . 2]" 1 94 THR 0.001 0.001 13 0 "[ . 1 . 2]" 1 95 LEU 0.028 0.021 11 0 "[ . 1 . 2]" 1 96 HIS 0.003 0.002 15 0 "[ . 1 . 2]" 1 97 MET 0.001 0.001 13 0 "[ . 1 . 2]" 1 101 SER 0.391 0.205 14 0 "[ . 1 . 2]" 1 102 PRO 0.391 0.205 14 0 "[ . 1 . 2]" 1 103 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 104 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 16 LYS H 1 16 LYS QD . . 5.500 3.930 1.801 4.979 . 0 0 "[ . 1 . 2]" 2 2 1 16 LYS HA 1 17 GLU H . . 2.900 2.413 2.142 2.922 0.022 10 0 "[ . 1 . 2]" 2 3 1 16 LYS QB 1 17 GLU H . . 3.750 3.294 2.072 3.779 0.029 20 0 "[ . 1 . 2]" 2 4 1 17 GLU H 1 17 GLU HB2 . . 3.990 3.225 2.271 4.067 0.077 12 0 "[ . 1 . 2]" 2 5 1 17 GLU H 1 17 GLU HB3 . . 3.990 3.398 2.587 3.896 . 0 0 "[ . 1 . 2]" 2 6 1 17 GLU H 1 17 GLU HG2 . . 4.530 3.329 2.066 4.528 . 0 0 "[ . 1 . 2]" 2 7 1 17 GLU H 1 17 GLU HG3 . . 4.530 3.605 2.247 4.497 . 0 0 "[ . 1 . 2]" 2 8 1 17 GLU H 1 18 PHE H . . 4.570 4.463 4.350 4.612 0.042 3 0 "[ . 1 . 2]" 2 9 1 17 GLU HA 1 18 PHE H . . 2.950 2.458 2.310 2.573 . 0 0 "[ . 1 . 2]" 2 10 1 17 GLU HB2 1 18 PHE H . . 3.960 2.970 2.082 4.017 0.057 3 0 "[ . 1 . 2]" 2 11 1 17 GLU HB3 1 18 PHE H . . 3.960 3.069 2.159 3.964 0.004 6 0 "[ . 1 . 2]" 2 12 1 17 GLU HG2 1 18 PHE H . . 4.860 4.144 1.892 4.863 0.003 18 0 "[ . 1 . 2]" 2 13 1 17 GLU HG3 1 18 PHE H . . 4.860 4.029 3.249 4.794 . 0 0 "[ . 1 . 2]" 2 14 1 18 PHE H 1 18 PHE HB2 . . 3.880 2.657 2.402 3.592 . 0 0 "[ . 1 . 2]" 2 15 1 18 PHE H 1 18 PHE HB3 . . 3.880 3.710 3.293 3.823 . 0 0 "[ . 1 . 2]" 2 16 1 18 PHE H 1 18 PHE QD . . 3.820 3.079 2.409 3.601 . 0 0 "[ . 1 . 2]" 2 17 1 18 PHE H 1 19 ILE H . . 4.690 4.502 4.404 4.637 . 0 0 "[ . 1 . 2]" 2 18 1 18 PHE H 1 27 PHE H . . 4.780 4.305 3.854 4.720 . 0 0 "[ . 1 . 2]" 2 19 1 18 PHE HA 1 19 ILE H . . 3.160 2.365 2.177 2.612 . 0 0 "[ . 1 . 2]" 2 20 1 18 PHE HB2 1 19 ILE H . . 4.150 3.616 2.888 4.061 . 0 0 "[ . 1 . 2]" 2 21 1 18 PHE HB3 1 19 ILE H . . 4.150 2.622 2.059 3.710 . 0 0 "[ . 1 . 2]" 2 22 1 19 ILE H 1 19 ILE HB . . 3.210 2.772 2.671 2.859 . 0 0 "[ . 1 . 2]" 2 23 1 19 ILE H 1 19 ILE MG . . 4.020 3.882 3.813 3.925 . 0 0 "[ . 1 . 2]" 2 24 1 19 ILE H 1 19 ILE HG12 . . 4.510 4.322 4.109 4.540 0.030 15 0 "[ . 1 . 2]" 2 25 1 19 ILE H 1 19 ILE HG13 . . 3.620 3.073 2.869 3.354 . 0 0 "[ . 1 . 2]" 2 26 1 19 ILE H 1 19 ILE MD . . 4.110 3.966 3.747 4.102 . 0 0 "[ . 1 . 2]" 2 27 1 19 ILE H 1 20 CYS H . . 4.520 4.322 4.236 4.373 . 0 0 "[ . 1 . 2]" 2 28 1 19 ILE H 1 33 LEU MD2 . . 4.030 3.459 3.126 3.761 . 0 0 "[ . 1 . 2]" 2 29 1 19 ILE HA 1 20 CYS H . . 3.360 2.182 2.153 2.219 . 0 0 "[ . 1 . 2]" 2 30 1 19 ILE HA 1 27 PHE H . . 3.900 3.787 3.535 3.900 0.000 20 0 "[ . 1 . 2]" 2 31 1 19 ILE HB 1 20 CYS H . . 4.480 4.084 3.971 4.203 . 0 0 "[ . 1 . 2]" 2 32 1 19 ILE MG 1 20 CYS H . . 3.550 2.239 2.056 2.455 . 0 0 "[ . 1 . 2]" 2 33 1 20 CYS H 1 20 CYS HB3 . . 3.530 2.835 2.646 2.950 . 0 0 "[ . 1 . 2]" 2 34 1 20 CYS H 1 20 CYS HB2 . . 3.550 2.275 2.186 2.428 . 0 0 "[ . 1 . 2]" 2 35 1 20 CYS H 1 21 LYS H . . 4.850 4.635 4.600 4.648 . 0 0 "[ . 1 . 2]" 2 36 1 21 LYS H 1 22 PHE QD . . 4.610 3.205 2.636 3.614 . 0 0 "[ . 1 . 2]" 2 37 1 20 CYS H 1 25 ARG H . . 3.980 2.843 1.809 3.622 . 0 0 "[ . 1 . 2]" 2 38 1 20 CYS H 1 24 GLY H . . 4.520 4.483 4.301 4.540 0.020 6 0 "[ . 1 . 2]" 2 39 1 20 CYS H 1 27 PHE QE . . 4.290 2.553 2.043 3.135 . 0 0 "[ . 1 . 2]" 2 40 1 20 CYS H 1 36 HIS HD2 . . 5.050 4.835 4.470 5.038 . 0 0 "[ . 1 . 2]" 2 41 1 20 CYS H 1 27 PHE QD . . 4.280 3.296 3.063 3.499 . 0 0 "[ . 1 . 2]" 2 42 1 19 ILE HG13 1 20 CYS H . . 5.040 4.802 4.602 4.925 . 0 0 "[ . 1 . 2]" 2 43 1 19 ILE HG12 1 20 CYS H . . 4.600 4.335 4.121 4.519 . 0 0 "[ . 1 . 2]" 2 44 1 20 CYS H 1 26 HIS HA . . 4.150 4.037 3.714 4.166 0.016 11 0 "[ . 1 . 2]" 2 45 1 20 CYS H 1 33 LEU MD1 . . 3.880 2.700 2.464 2.916 . 0 0 "[ . 1 . 2]" 2 46 1 20 CYS HA 1 21 LYS H . . 3.390 2.447 2.342 2.568 . 0 0 "[ . 1 . 2]" 2 47 1 20 CYS HA 1 22 PHE H . . 4.510 4.210 4.055 4.400 . 0 0 "[ . 1 . 2]" 2 48 1 20 CYS HA 1 25 ARG H . . 4.860 4.384 3.826 4.836 . 0 0 "[ . 1 . 2]" 2 49 1 20 CYS HB3 1 21 LYS H . . 4.560 3.277 2.899 3.674 . 0 0 "[ . 1 . 2]" 2 50 1 20 CYS HB2 1 21 LYS H . . 4.040 3.869 3.776 3.927 . 0 0 "[ . 1 . 2]" 2 51 1 20 CYS HB3 1 22 PHE H . . 4.430 3.899 3.625 4.329 . 0 0 "[ . 1 . 2]" 2 52 1 20 CYS HB2 1 22 PHE H . . 5.010 4.843 4.648 4.983 . 0 0 "[ . 1 . 2]" 2 53 1 20 CYS HB3 1 23 CYS H . . 3.740 3.094 2.887 3.408 . 0 0 "[ . 1 . 2]" 2 54 1 20 CYS HB2 1 23 CYS H . . 4.560 4.404 4.287 4.513 . 0 0 "[ . 1 . 2]" 2 55 1 20 CYS HB3 1 24 GLY H . . 3.730 1.928 1.886 2.193 . 0 0 "[ . 1 . 2]" 2 56 1 20 CYS HB2 1 24 GLY H . . 4.160 3.634 3.527 3.882 . 0 0 "[ . 1 . 2]" 2 57 1 20 CYS HB3 1 25 ARG H . . 3.410 1.917 1.893 1.982 . 0 0 "[ . 1 . 2]" 2 58 1 20 CYS HB2 1 25 ARG H . . 3.690 2.647 2.288 3.336 . 0 0 "[ . 1 . 2]" 2 59 1 21 LYS H 1 21 LYS QB . . 3.380 2.891 2.600 3.126 . 0 0 "[ . 1 . 2]" 2 60 1 21 LYS H 1 21 LYS HG2 . . 3.910 2.238 1.952 3.600 . 0 0 "[ . 1 . 2]" 2 61 1 21 LYS H 1 21 LYS HG3 . . 3.910 3.233 2.440 3.919 0.009 15 0 "[ . 1 . 2]" 2 62 1 21 LYS H 1 21 LYS QD . . 4.230 3.765 1.895 4.245 0.015 11 0 "[ . 1 . 2]" 2 63 1 21 LYS H 1 21 LYS QE . . 4.920 4.437 3.766 4.931 0.011 8 0 "[ . 1 . 2]" 2 64 1 21 LYS H 1 22 PHE H . . 3.660 1.930 1.820 1.993 . 0 0 "[ . 1 . 2]" 2 65 1 21 LYS H 1 23 CYS H . . 4.580 3.767 3.601 3.905 . 0 0 "[ . 1 . 2]" 2 66 1 21 LYS H 1 24 GLY H . . 4.920 3.813 3.590 4.103 . 0 0 "[ . 1 . 2]" 2 67 1 21 LYS HA 1 24 GLY H . . 4.570 4.137 3.976 4.339 . 0 0 "[ . 1 . 2]" 2 68 1 21 LYS QB 1 22 PHE H . . 3.660 3.506 3.435 3.599 . 0 0 "[ . 1 . 2]" 2 69 1 21 LYS HG2 1 22 PHE H . . 4.320 2.584 2.065 3.726 . 0 0 "[ . 1 . 2]" 2 70 1 21 LYS HG3 1 22 PHE H . . 4.320 2.740 1.987 3.979 . 0 0 "[ . 1 . 2]" 2 71 1 22 PHE H 1 22 PHE HB2 . . 3.750 2.517 2.419 2.633 . 0 0 "[ . 1 . 2]" 2 72 1 22 PHE H 1 22 PHE HB3 . . 3.750 3.599 3.589 3.623 . 0 0 "[ . 1 . 2]" 2 73 1 22 PHE H 1 22 PHE QD . . 3.480 2.356 1.914 2.749 . 0 0 "[ . 1 . 2]" 2 74 1 22 PHE H 1 23 CYS H . . 3.280 2.669 2.448 2.793 . 0 0 "[ . 1 . 2]" 2 75 1 22 PHE H 1 24 GLY H . . 3.860 3.637 3.397 3.784 . 0 0 "[ . 1 . 2]" 2 76 1 22 PHE HB2 1 23 CYS H . . 3.740 2.368 2.273 2.529 . 0 0 "[ . 1 . 2]" 2 77 1 22 PHE HB3 1 23 CYS H . . 3.740 3.484 3.368 3.706 . 0 0 "[ . 1 . 2]" 2 78 1 23 CYS H 1 24 GLY H . . 3.090 2.037 1.846 2.090 . 0 0 "[ . 1 . 2]" 2 79 1 23 CYS H 1 24 GLY HA2 . . 4.720 4.290 4.055 4.351 . 0 0 "[ . 1 . 2]" 2 80 1 23 CYS H 1 24 GLY HA3 . . 4.720 4.694 4.496 4.759 0.039 18 0 "[ . 1 . 2]" 2 81 1 22 PHE QD 1 23 CYS H . . 4.210 3.843 3.654 4.007 . 0 0 "[ . 1 . 2]" 2 82 1 21 LYS QB 1 24 GLY H . . 5.500 5.394 5.241 5.507 0.007 11 0 "[ . 1 . 2]" 2 83 1 25 ARG H 1 25 ARG HB2 . . 3.440 2.849 2.155 3.388 . 0 0 "[ . 1 . 2]" 2 84 1 25 ARG H 1 25 ARG HB3 . . 3.440 2.653 2.426 3.466 0.026 7 0 "[ . 1 . 2]" 2 85 1 25 ARG H 1 25 ARG HG3 . . 4.790 4.457 3.075 4.774 . 0 0 "[ . 1 . 2]" 2 86 1 25 ARG H 1 26 HIS H . . 4.760 4.517 4.299 4.628 . 0 0 "[ . 1 . 2]" 2 87 1 25 ARG HA 1 26 HIS H . . 2.980 2.291 2.203 2.510 . 0 0 "[ . 1 . 2]" 2 88 1 25 ARG HB2 1 26 HIS H . . 4.230 3.952 3.685 4.167 . 0 0 "[ . 1 . 2]" 2 89 1 25 ARG HB3 1 26 HIS H . . 4.230 3.750 2.280 4.163 . 0 0 "[ . 1 . 2]" 2 90 1 25 ARG HG2 1 26 HIS H . . 4.100 2.836 1.906 4.007 . 0 0 "[ . 1 . 2]" 2 91 1 25 ARG HG3 1 26 HIS H . . 4.100 2.679 1.909 4.136 0.036 7 0 "[ . 1 . 2]" 2 92 1 26 HIS H 1 26 HIS HB2 . . 3.900 2.625 2.446 2.714 . 0 0 "[ . 1 . 2]" 2 93 1 26 HIS H 1 26 HIS HB3 . . 3.900 3.671 3.631 3.760 . 0 0 "[ . 1 . 2]" 2 94 1 26 HIS H 1 27 PHE H . . 4.620 4.560 4.474 4.596 . 0 0 "[ . 1 . 2]" 2 95 1 26 HIS HA 1 27 PHE H . . 3.040 2.256 2.208 2.388 . 0 0 "[ . 1 . 2]" 2 96 1 26 HIS HB2 1 27 PHE H . . 3.950 3.797 3.583 3.945 . 0 0 "[ . 1 . 2]" 2 97 1 26 HIS HB3 1 27 PHE H . . 3.950 2.866 2.487 3.022 . 0 0 "[ . 1 . 2]" 2 98 1 27 PHE H 1 27 PHE HB2 . . 4.000 2.767 2.615 3.028 . 0 0 "[ . 1 . 2]" 2 99 1 27 PHE H 1 27 PHE HB3 . . 4.000 3.849 3.763 3.986 . 0 0 "[ . 1 . 2]" 2 100 1 27 PHE H 1 27 PHE QD . . 3.400 2.651 2.418 2.870 . 0 0 "[ . 1 . 2]" 2 101 1 27 PHE HB2 1 33 LEU H . . 4.610 4.088 3.657 4.458 . 0 0 "[ . 1 . 2]" 2 102 1 27 PHE HB3 1 33 LEU H . . 4.610 3.707 3.213 4.039 . 0 0 "[ . 1 . 2]" 2 103 1 28 THR HB 1 29 LYS H . . 4.330 3.227 2.189 4.314 . 0 0 "[ . 1 . 2]" 2 104 1 28 THR MG 1 29 LYS H . . 4.520 3.448 2.059 4.150 . 0 0 "[ . 1 . 2]" 2 105 1 29 LYS H 1 29 LYS QB . . 3.380 2.649 2.330 3.156 . 0 0 "[ . 1 . 2]" 2 106 1 29 LYS H 1 32 ASN H . . 4.730 4.252 3.672 4.706 . 0 0 "[ . 1 . 2]" 2 107 1 29 LYS H 1 32 ASN QB . . 3.820 2.862 2.611 3.329 . 0 0 "[ . 1 . 2]" 2 108 1 29 LYS H 1 33 LEU H . . 4.950 4.819 4.433 4.953 0.003 19 0 "[ . 1 . 2]" 2 109 1 29 LYS QB 1 32 ASN H . . 3.370 2.469 1.909 3.368 . 0 0 "[ . 1 . 2]" 2 110 1 29 LYS QE 1 32 ASN H . . 5.250 4.432 3.024 5.297 0.047 12 0 "[ . 1 . 2]" 2 111 1 30 SER HA 1 32 ASN H . . 5.500 4.637 4.271 4.964 . 0 0 "[ . 1 . 2]" 2 112 1 30 SER HA 1 33 LEU H . . 3.950 3.702 3.358 3.991 0.041 12 0 "[ . 1 . 2]" 2 113 1 30 SER HA 1 34 LEU H . . 5.200 4.898 4.438 5.189 . 0 0 "[ . 1 . 2]" 2 114 1 33 LEU H 1 33 LEU MD1 . . 4.610 4.162 4.015 4.296 . 0 0 "[ . 1 . 2]" 2 115 1 33 LEU H 1 33 LEU MD2 . . 4.950 4.181 4.041 4.246 . 0 0 "[ . 1 . 2]" 2 116 1 31 TYR HA 1 34 LEU H . . 3.900 3.415 3.223 3.633 . 0 0 "[ . 1 . 2]" 2 117 1 31 TYR HA 1 35 ILE H . . 4.800 4.449 4.157 4.691 . 0 0 "[ . 1 . 2]" 2 118 1 31 TYR HB2 1 32 ASN H . . 4.050 3.690 3.502 3.944 . 0 0 "[ . 1 . 2]" 2 119 1 31 TYR HB3 1 32 ASN H . . 4.050 2.599 2.240 3.605 . 0 0 "[ . 1 . 2]" 2 120 1 32 ASN H 1 32 ASN QB . . 3.260 2.232 2.127 2.376 . 0 0 "[ . 1 . 2]" 2 121 1 32 ASN H 1 33 LEU H . . 3.210 2.768 2.659 2.860 . 0 0 "[ . 1 . 2]" 2 122 1 32 ASN H 1 34 LEU H . . 4.760 4.570 4.380 4.734 . 0 0 "[ . 1 . 2]" 2 123 1 32 ASN HA 1 35 ILE H . . 3.810 3.557 3.419 3.687 . 0 0 "[ . 1 . 2]" 2 124 1 32 ASN QB 1 33 LEU H . . 3.610 2.805 2.609 3.041 . 0 0 "[ . 1 . 2]" 2 125 1 33 LEU H 1 33 LEU HB2 . . 3.540 2.674 2.493 2.903 . 0 0 "[ . 1 . 2]" 2 126 1 33 LEU H 1 33 LEU HB3 . . 3.540 2.364 2.181 2.531 . 0 0 "[ . 1 . 2]" 2 127 1 33 LEU H 1 33 LEU HG . . 4.670 4.374 4.161 4.506 . 0 0 "[ . 1 . 2]" 2 128 1 33 LEU H 1 34 LEU H . . 3.350 2.710 2.437 2.892 . 0 0 "[ . 1 . 2]" 2 129 1 27 PHE QD 1 33 LEU H . . 4.250 3.907 3.248 4.250 . 0 0 "[ . 1 . 2]" 2 130 1 31 TYR QD 1 35 ILE H . . 4.660 3.787 3.486 4.194 . 0 0 "[ . 1 . 2]" 2 131 1 33 LEU H 1 35 ILE H . . 5.120 4.055 3.948 4.151 . 0 0 "[ . 1 . 2]" 2 132 1 33 LEU HA 1 35 ILE H . . 4.470 4.389 4.271 4.488 0.018 15 0 "[ . 1 . 2]" 2 133 1 33 LEU MD1 1 37 GLU H . . 4.260 3.924 3.339 4.262 0.002 1 0 "[ . 1 . 2]" 2 134 1 33 LEU HB2 1 34 LEU H . . 4.100 3.849 3.673 4.009 . 0 0 "[ . 1 . 2]" 2 135 1 33 LEU HB3 1 34 LEU H . . 4.100 2.457 2.211 2.708 . 0 0 "[ . 1 . 2]" 2 136 1 33 LEU HG 1 34 LEU H . . 3.990 3.338 2.892 3.608 . 0 0 "[ . 1 . 2]" 2 137 1 33 LEU MD1 1 34 LEU H . . 4.530 4.282 4.029 4.464 . 0 0 "[ . 1 . 2]" 2 138 1 33 LEU MD2 1 34 LEU H . . 4.750 3.981 3.674 4.360 . 0 0 "[ . 1 . 2]" 2 139 1 34 LEU H 1 34 LEU HB3 . . 3.150 2.173 2.136 2.243 . 0 0 "[ . 1 . 2]" 2 140 1 34 LEU H 1 34 LEU HG . . 3.220 2.985 2.826 3.127 . 0 0 "[ . 1 . 2]" 2 141 1 34 LEU H 1 34 LEU MD2 . . 3.790 3.451 3.275 3.624 . 0 0 "[ . 1 . 2]" 2 142 1 34 LEU H 1 35 ILE H . . 3.490 2.732 2.558 2.837 . 0 0 "[ . 1 . 2]" 2 143 1 34 LEU H 1 36 HIS H . . 4.810 4.204 4.015 4.387 . 0 0 "[ . 1 . 2]" 2 144 1 34 LEU HA 1 36 HIS H . . 4.580 4.147 3.843 4.516 . 0 0 "[ . 1 . 2]" 2 145 1 34 LEU HG 1 35 ILE H . . 3.450 1.941 1.899 2.087 . 0 0 "[ . 1 . 2]" 2 146 1 35 ILE MD 1 36 HIS H . . 4.900 4.762 4.601 4.956 0.056 20 0 "[ . 1 . 2]" 2 147 1 35 ILE H 1 35 ILE HB . . 3.130 2.541 2.463 2.683 . 0 0 "[ . 1 . 2]" 2 148 1 35 ILE H 1 35 ILE HG12 . . 3.460 3.236 2.840 3.468 0.008 15 0 "[ . 1 . 2]" 2 149 1 35 ILE H 1 35 ILE HG13 . . 3.460 2.139 2.002 2.270 . 0 0 "[ . 1 . 2]" 2 150 1 35 ILE H 1 35 ILE MD . . 3.750 3.670 3.400 3.774 0.024 18 0 "[ . 1 . 2]" 2 151 1 35 ILE H 1 37 GLU H . . 4.800 4.209 3.882 4.453 . 0 0 "[ . 1 . 2]" 2 152 1 35 ILE HA 1 38 ARG H . . 4.260 3.951 3.685 4.328 0.068 20 0 "[ . 1 . 2]" 2 153 1 35 ILE HB 1 36 HIS H . . 3.430 2.755 2.499 3.013 . 0 0 "[ . 1 . 2]" 2 154 1 36 HIS H 1 36 HIS QB . . 2.910 2.184 2.130 2.240 . 0 0 "[ . 1 . 2]" 2 155 1 36 HIS H 1 37 GLU H . . 3.500 2.488 2.183 2.760 . 0 0 "[ . 1 . 2]" 2 156 1 36 HIS H 1 38 ARG H . . 4.370 3.971 3.704 4.110 . 0 0 "[ . 1 . 2]" 2 157 1 36 HIS HA 1 38 ARG H . . 4.510 3.771 3.546 4.138 . 0 0 "[ . 1 . 2]" 2 158 1 36 HIS HA 1 39 THR H . . 4.250 3.492 3.353 3.705 . 0 0 "[ . 1 . 2]" 2 159 1 36 HIS QB 1 37 GLU H . . 3.380 2.743 2.488 3.123 . 0 0 "[ . 1 . 2]" 2 160 1 37 GLU H 1 37 GLU HB2 . . 3.830 2.460 2.313 2.638 . 0 0 "[ . 1 . 2]" 2 161 1 37 GLU H 1 37 GLU HB3 . . 3.830 3.590 3.560 3.610 . 0 0 "[ . 1 . 2]" 2 162 1 37 GLU H 1 37 GLU HG2 . . 3.710 3.170 2.564 3.712 0.002 9 0 "[ . 1 . 2]" 2 163 1 37 GLU H 1 37 GLU HG3 . . 3.710 2.527 2.106 3.612 . 0 0 "[ . 1 . 2]" 2 164 1 37 GLU H 1 38 ARG H . . 3.430 2.747 2.330 2.905 . 0 0 "[ . 1 . 2]" 2 165 1 37 GLU H 1 39 THR H . . 4.750 4.448 3.879 4.739 . 0 0 "[ . 1 . 2]" 2 166 1 37 GLU H 1 40 HIS HD2 . . 4.680 4.568 4.355 4.675 . 0 0 "[ . 1 . 2]" 2 167 1 37 GLU HA 1 39 THR H . . 4.590 4.135 3.692 4.506 . 0 0 "[ . 1 . 2]" 2 168 1 37 GLU HA 1 40 HIS H . . 4.050 3.483 3.184 3.699 . 0 0 "[ . 1 . 2]" 2 169 1 37 GLU HB2 1 38 ARG H . . 3.960 2.984 2.631 3.174 . 0 0 "[ . 1 . 2]" 2 170 1 37 GLU HB3 1 38 ARG H . . 3.960 3.816 3.601 3.955 . 0 0 "[ . 1 . 2]" 2 171 1 38 ARG H 1 39 THR MG . . 4.420 4.078 3.681 4.439 0.019 8 0 "[ . 1 . 2]" 2 172 1 38 ARG H 1 38 ARG HB3 . . 3.870 3.261 2.396 3.592 . 0 0 "[ . 1 . 2]" 2 173 1 38 ARG H 1 38 ARG HG2 . . 3.560 3.104 2.213 3.566 0.006 3 0 "[ . 1 . 2]" 2 174 1 38 ARG H 1 38 ARG HG3 . . 3.560 2.517 1.918 3.624 0.064 20 0 "[ . 1 . 2]" 2 175 1 38 ARG H 1 38 ARG QD . . 4.290 3.681 3.317 4.217 . 0 0 "[ . 1 . 2]" 2 176 1 38 ARG H 1 39 THR H . . 3.430 2.685 2.378 2.944 . 0 0 "[ . 1 . 2]" 2 177 1 38 ARG H 1 40 HIS H . . 4.290 4.092 3.939 4.290 0.000 7 0 "[ . 1 . 2]" 2 178 1 38 ARG HA 1 40 HIS H . . 4.420 3.904 3.528 4.387 . 0 0 "[ . 1 . 2]" 2 179 1 38 ARG HB2 1 39 THR H . . 4.250 3.012 2.317 4.152 . 0 0 "[ . 1 . 2]" 2 180 1 38 ARG HB3 1 39 THR H . . 4.250 3.734 3.449 4.107 . 0 0 "[ . 1 . 2]" 2 181 1 39 THR H 1 39 THR MG . . 3.110 2.225 1.881 2.597 . 0 0 "[ . 1 . 2]" 2 182 1 39 THR H 1 40 HIS H . . 3.280 2.650 2.383 2.859 . 0 0 "[ . 1 . 2]" 2 183 1 39 THR MG 1 40 HIS H . . 4.060 3.164 2.149 3.985 . 0 0 "[ . 1 . 2]" 2 184 1 40 HIS H 1 40 HIS HB2 . . 3.710 2.326 2.215 2.486 . 0 0 "[ . 1 . 2]" 2 185 1 40 HIS H 1 40 HIS HB3 . . 3.710 3.579 3.515 3.677 . 0 0 "[ . 1 . 2]" 2 186 1 40 HIS H 1 40 HIS HD2 . . 3.840 3.434 2.951 3.829 . 0 0 "[ . 1 . 2]" 2 187 1 40 HIS H 1 41 THR H . . 3.740 2.773 2.256 3.498 . 0 0 "[ . 1 . 2]" 2 188 1 40 HIS HB2 1 41 THR H . . 4.870 2.877 2.004 4.453 . 0 0 "[ . 1 . 2]" 2 189 1 40 HIS HB3 1 41 THR H . . 4.870 3.410 2.804 4.437 . 0 0 "[ . 1 . 2]" 2 190 1 41 THR H 1 41 THR MG . . 4.030 2.306 1.874 3.268 . 0 0 "[ . 1 . 2]" 2 191 1 41 THR H 1 42 ASP H . . 4.680 3.950 2.049 4.641 . 0 0 "[ . 1 . 2]" 2 192 1 41 THR HB 1 42 ASP H . . 4.370 3.684 2.696 4.363 . 0 0 "[ . 1 . 2]" 2 193 1 42 ASP H 1 42 ASP HB2 . . 4.140 2.711 2.283 3.633 . 0 0 "[ . 1 . 2]" 2 194 1 42 ASP H 1 42 ASP HB3 . . 4.140 3.397 2.395 3.971 . 0 0 "[ . 1 . 2]" 2 195 1 42 ASP H 1 43 GLU H . . 4.610 3.820 2.530 4.587 . 0 0 "[ . 1 . 2]" 2 196 1 42 ASP HA 1 43 GLU H . . 3.240 2.440 2.142 2.919 . 0 0 "[ . 1 . 2]" 2 197 1 42 ASP HB2 1 43 GLU H . . 4.630 4.168 3.165 4.552 . 0 0 "[ . 1 . 2]" 2 198 1 42 ASP HB3 1 43 GLU H . . 4.630 3.789 1.965 4.501 . 0 0 "[ . 1 . 2]" 2 199 1 43 GLU H 1 43 GLU QB . . 3.320 2.634 2.190 3.182 . 0 0 "[ . 1 . 2]" 2 200 1 43 GLU H 1 43 GLU HG2 . . 4.090 2.985 1.919 4.071 . 0 0 "[ . 1 . 2]" 2 201 1 43 GLU H 1 43 GLU HG3 . . 4.090 3.097 1.897 4.039 . 0 0 "[ . 1 . 2]" 2 202 1 43 GLU H 1 44 ARG H . . 4.530 3.596 2.042 4.538 0.008 9 0 "[ . 1 . 2]" 2 203 1 43 GLU QB 1 44 ARG H . . 3.870 2.826 1.927 3.766 . 0 0 "[ . 1 . 2]" 2 204 1 44 ARG H 1 44 ARG HB2 . . 4.100 2.851 2.225 3.803 . 0 0 "[ . 1 . 2]" 2 205 1 44 ARG H 1 44 ARG HB3 . . 4.100 3.506 2.296 3.932 . 0 0 "[ . 1 . 2]" 2 206 1 44 ARG HA 1 46 TYR H . . 4.420 3.728 3.213 4.342 . 0 0 "[ . 1 . 2]" 2 207 1 45 PRO HB3 1 46 TYR H . . 4.600 4.105 3.866 4.408 . 0 0 "[ . 1 . 2]" 2 208 1 45 PRO HB2 1 46 TYR H . . 3.780 3.270 2.855 3.794 0.014 19 0 "[ . 1 . 2]" 2 209 1 45 PRO HG2 1 46 TYR H . . 4.390 2.370 1.886 3.040 . 0 0 "[ . 1 . 2]" 2 210 1 45 PRO HG3 1 46 TYR H . . 4.390 3.881 3.518 4.384 . 0 0 "[ . 1 . 2]" 2 211 1 45 PRO HD2 1 46 TYR H . . 4.200 2.765 2.683 2.838 . 0 0 "[ . 1 . 2]" 2 212 1 45 PRO HD3 1 46 TYR H . . 4.200 3.891 3.851 3.943 . 0 0 "[ . 1 . 2]" 2 213 1 46 TYR H 1 46 TYR HB2 . . 3.780 2.619 2.418 2.901 . 0 0 "[ . 1 . 2]" 2 214 1 46 TYR H 1 46 TYR HB3 . . 3.780 3.602 3.527 3.657 . 0 0 "[ . 1 . 2]" 2 215 1 46 TYR H 1 46 TYR QD . . 3.460 2.171 1.890 2.751 . 0 0 "[ . 1 . 2]" 2 216 1 46 TYR H 1 47 THR H . . 4.440 3.965 3.016 4.452 0.012 14 0 "[ . 1 . 2]" 2 217 1 46 TYR H 1 55 PHE H . . 5.090 4.531 3.604 4.948 . 0 0 "[ . 1 . 2]" 2 218 1 46 TYR HA 1 47 THR H . . 3.260 2.355 2.138 2.867 . 0 0 "[ . 1 . 2]" 2 219 1 46 TYR HB2 1 47 THR H . . 4.640 4.336 4.136 4.504 . 0 0 "[ . 1 . 2]" 2 220 1 46 TYR HB3 1 47 THR H . . 4.640 4.032 3.550 4.528 . 0 0 "[ . 1 . 2]" 2 221 1 46 TYR HB2 1 55 PHE H . . 4.600 2.397 1.898 3.129 . 0 0 "[ . 1 . 2]" 2 222 1 47 THR H 1 47 THR HB . . 3.650 2.760 2.509 3.026 . 0 0 "[ . 1 . 2]" 2 223 1 45 PRO HB2 1 47 THR H . . 5.470 5.106 4.522 5.471 0.001 11 0 "[ . 1 . 2]" 2 224 1 47 THR H 1 48 CYS H . . 4.700 4.344 3.987 4.557 . 0 0 "[ . 1 . 2]" 2 225 1 47 THR H 1 47 THR MG . . 4.470 3.818 2.468 4.008 . 0 0 "[ . 1 . 2]" 2 226 1 47 THR H 1 61 LEU MD2 . . 4.670 3.314 2.640 4.053 . 0 0 "[ . 1 . 2]" 2 227 1 47 THR HA 1 48 CYS H . . 3.310 2.173 2.141 2.342 . 0 0 "[ . 1 . 2]" 2 228 1 47 THR HA 1 53 LYS H . . 4.810 4.370 3.824 4.589 . 0 0 "[ . 1 . 2]" 2 229 1 47 THR HB 1 48 CYS H . . 4.310 4.098 3.795 4.290 . 0 0 "[ . 1 . 2]" 2 230 1 47 THR MG 1 48 CYS H . . 3.780 2.544 1.985 3.052 . 0 0 "[ . 1 . 2]" 2 231 1 48 CYS H 1 48 CYS HB2 . . 3.700 2.222 2.175 2.317 . 0 0 "[ . 1 . 2]" 2 232 1 48 CYS H 1 48 CYS HB3 . . 3.740 2.898 2.819 2.966 . 0 0 "[ . 1 . 2]" 2 233 1 48 CYS H 1 52 HIS H . . 4.670 4.201 3.737 4.556 . 0 0 "[ . 1 . 2]" 2 234 1 48 CYS H 1 52 HIS HA . . 4.820 2.796 2.379 3.647 . 0 0 "[ . 1 . 2]" 2 235 1 48 CYS H 1 53 LYS H . . 4.250 2.713 2.337 2.974 . 0 0 "[ . 1 . 2]" 2 236 1 48 CYS H 1 61 LEU MD1 . . 4.000 3.442 3.033 3.998 . 0 0 "[ . 1 . 2]" 2 237 1 48 CYS HA 1 50 ILE H . . 4.440 4.250 3.725 4.417 . 0 0 "[ . 1 . 2]" 2 238 1 48 CYS HB2 1 50 ILE H . . 4.610 4.294 4.203 4.414 . 0 0 "[ . 1 . 2]" 2 239 1 48 CYS HB3 1 50 ILE H . . 4.230 2.774 2.623 2.921 . 0 0 "[ . 1 . 2]" 2 240 1 48 CYS HB2 1 51 CYS H . . 4.630 4.400 4.039 4.605 . 0 0 "[ . 1 . 2]" 2 241 1 48 CYS HB3 1 51 CYS H . . 4.510 3.119 2.468 3.367 . 0 0 "[ . 1 . 2]" 2 242 1 48 CYS HB2 1 52 HIS H . . 3.930 3.592 3.344 3.900 . 0 0 "[ . 1 . 2]" 2 243 1 48 CYS HB3 1 52 HIS H . . 4.260 2.012 1.898 2.256 . 0 0 "[ . 1 . 2]" 2 244 1 48 CYS HB2 1 53 LYS H . . 3.640 2.199 1.899 3.098 . 0 0 "[ . 1 . 2]" 2 245 1 48 CYS HB3 1 53 LYS H . . 3.950 2.427 2.065 2.912 . 0 0 "[ . 1 . 2]" 2 246 1 49 ASP H 1 50 ILE H . . 4.400 2.123 1.964 2.807 . 0 0 "[ . 1 . 2]" 2 247 1 49 ASP H 1 50 ILE HG13 . . 4.800 3.865 3.198 4.156 . 0 0 "[ . 1 . 2]" 2 248 1 49 ASP H 1 61 LEU MD1 . . 5.370 4.335 4.051 4.783 . 0 0 "[ . 1 . 2]" 2 249 1 49 ASP QB 1 50 ILE H . . 4.100 3.099 2.875 3.708 . 0 0 "[ . 1 . 2]" 2 250 1 50 ILE H 1 50 ILE HB . . 3.340 2.649 2.564 2.835 . 0 0 "[ . 1 . 2]" 2 251 1 50 ILE H 1 50 ILE MG . . 3.940 3.854 3.811 3.932 . 0 0 "[ . 1 . 2]" 2 252 1 50 ILE H 1 50 ILE HG12 . . 4.010 3.959 3.886 4.012 0.002 1 0 "[ . 1 . 2]" 2 253 1 50 ILE H 1 50 ILE HG13 . . 3.530 2.686 2.562 2.777 . 0 0 "[ . 1 . 2]" 2 254 1 50 ILE H 1 50 ILE MD . . 3.870 3.825 3.685 3.873 0.003 10 0 "[ . 1 . 2]" 2 255 1 50 ILE H 1 51 CYS H . . 3.440 2.547 2.189 2.652 . 0 0 "[ . 1 . 2]" 2 256 1 50 ILE H 1 52 HIS H . . 4.160 2.827 2.675 2.940 . 0 0 "[ . 1 . 2]" 2 257 1 50 ILE H 1 52 HIS HA . . 4.790 4.391 4.236 4.575 . 0 0 "[ . 1 . 2]" 2 258 1 50 ILE HA 1 52 HIS H . . 4.730 3.918 3.805 4.645 . 0 0 "[ . 1 . 2]" 2 259 1 50 ILE HB 1 51 CYS H . . 3.450 1.968 1.897 2.239 . 0 0 "[ . 1 . 2]" 2 260 1 47 THR MG 1 52 HIS H . . 4.600 4.183 3.852 4.596 . 0 0 "[ . 1 . 2]" 2 261 1 50 ILE HB 1 52 HIS H . . 4.930 4.153 4.062 4.284 . 0 0 "[ . 1 . 2]" 2 262 1 50 ILE MG 1 51 CYS H . . 3.680 2.895 2.648 3.407 . 0 0 "[ . 1 . 2]" 2 263 1 50 ILE HG12 1 51 CYS H . . 4.770 4.696 4.655 4.795 0.025 6 0 "[ . 1 . 2]" 2 264 1 50 ILE HG13 1 51 CYS H . . 4.210 4.036 3.866 4.146 . 0 0 "[ . 1 . 2]" 2 265 1 51 CYS H 1 51 CYS HB3 . . 4.180 2.472 2.281 3.039 . 0 0 "[ . 1 . 2]" 2 266 1 51 CYS H 1 52 HIS H . . 3.360 2.604 2.142 2.727 . 0 0 "[ . 1 . 2]" 2 267 1 52 HIS H 1 53 LYS H . . 3.800 2.993 2.745 3.093 . 0 0 "[ . 1 . 2]" 2 268 1 53 LYS H 1 53 LYS HB2 . . 3.670 2.230 2.179 2.385 . 0 0 "[ . 1 . 2]" 2 269 1 53 LYS H 1 53 LYS HB3 . . 3.670 3.514 3.484 3.612 . 0 0 "[ . 1 . 2]" 2 270 1 53 LYS H 1 53 LYS HG3 . . 3.370 3.081 2.903 3.223 . 0 0 "[ . 1 . 2]" 2 271 1 53 LYS HA 1 54 ALA H . . 2.930 2.442 2.174 2.643 . 0 0 "[ . 1 . 2]" 2 272 1 53 LYS HG2 1 54 ALA H . . 3.810 3.451 3.254 3.812 0.002 7 0 "[ . 1 . 2]" 2 273 1 54 ALA H 1 54 ALA MB . . 3.000 2.343 2.146 2.487 . 0 0 "[ . 1 . 2]" 2 274 1 54 ALA H 1 55 PHE H . . 4.590 4.446 4.261 4.571 . 0 0 "[ . 1 . 2]" 2 275 1 55 PHE H 1 55 PHE QE . . 4.700 4.484 4.308 4.657 . 0 0 "[ . 1 . 2]" 2 276 1 54 ALA HA 1 55 PHE H . . 3.240 2.181 2.142 2.226 . 0 0 "[ . 1 . 2]" 2 277 1 54 ALA MB 1 55 PHE H . . 3.450 3.025 2.841 3.296 . 0 0 "[ . 1 . 2]" 2 278 1 46 TYR HB3 1 55 PHE H . . 4.600 3.300 2.335 4.599 . 0 0 "[ . 1 . 2]" 2 279 1 55 PHE H 1 55 PHE QD . . 3.520 2.387 2.144 2.646 . 0 0 "[ . 1 . 2]" 2 280 1 55 PHE HB2 1 57 ARG H . . 4.430 4.159 3.684 4.430 0.000 20 0 "[ . 1 . 2]" 2 281 1 55 PHE HB3 1 57 ARG H . . 4.430 3.326 2.698 3.955 . 0 0 "[ . 1 . 2]" 2 282 1 55 PHE HB2 1 61 LEU H . . 4.820 4.157 3.307 4.685 . 0 0 "[ . 1 . 2]" 2 283 1 55 PHE HB3 1 61 LEU H . . 4.820 4.010 3.646 4.511 . 0 0 "[ . 1 . 2]" 2 284 1 56 ARG H 1 57 ARG H . . 4.680 2.323 1.931 2.879 . 0 0 "[ . 1 . 2]" 2 285 1 56 ARG HB2 1 57 ARG H . . 4.190 3.562 2.139 4.166 . 0 0 "[ . 1 . 2]" 2 286 1 56 ARG HB3 1 57 ARG H . . 4.190 3.049 2.201 4.186 . 0 0 "[ . 1 . 2]" 2 287 1 56 ARG QG 1 57 ARG H . . 4.070 3.176 1.881 4.111 0.041 13 0 "[ . 1 . 2]" 2 288 1 57 ARG H 1 57 ARG HB2 . . 3.910 2.437 2.250 2.684 . 0 0 "[ . 1 . 2]" 2 289 1 57 ARG H 1 57 ARG HB3 . . 3.910 3.633 3.511 3.757 . 0 0 "[ . 1 . 2]" 2 290 1 57 ARG H 1 57 ARG HG2 . . 4.190 3.488 2.535 4.187 . 0 0 "[ . 1 . 2]" 2 291 1 57 ARG H 1 57 ARG HG3 . . 4.190 3.387 2.203 4.211 0.021 15 0 "[ . 1 . 2]" 2 292 1 57 ARG H 1 60 HIS H . . 4.790 4.665 4.116 4.797 0.007 18 0 "[ . 1 . 2]" 2 293 1 56 ARG QD 1 57 ARG H . . 5.240 4.343 3.027 5.224 . 0 0 "[ . 1 . 2]" 2 294 1 57 ARG HB2 1 60 HIS H . . 3.910 3.129 2.679 3.571 . 0 0 "[ . 1 . 2]" 2 295 1 57 ARG HB3 1 60 HIS H . . 3.910 3.083 2.659 3.917 0.007 13 0 "[ . 1 . 2]" 2 296 1 58 GLN HA 1 61 LEU H . . 4.000 3.328 3.020 3.532 . 0 0 "[ . 1 . 2]" 2 297 1 58 GLN HA 1 62 ARG H . . 4.340 4.046 3.664 4.345 0.005 7 0 "[ . 1 . 2]" 2 298 1 61 LEU H 1 61 LEU MD1 . . 4.710 4.246 4.112 4.360 . 0 0 "[ . 1 . 2]" 2 299 1 61 LEU H 1 61 LEU MD2 . . 5.040 4.157 4.022 4.231 . 0 0 "[ . 1 . 2]" 2 300 1 59 ASP HA 1 62 ARG H . . 3.940 3.508 3.213 3.944 0.004 15 0 "[ . 1 . 2]" 2 301 1 59 ASP HA 1 63 ASP H . . 4.500 3.881 3.509 4.500 . 0 0 "[ . 1 . 2]" 2 302 1 59 ASP HB2 1 60 HIS H . . 4.500 3.303 2.414 4.123 . 0 0 "[ . 1 . 2]" 2 303 1 59 ASP HB3 1 60 HIS H . . 4.500 3.228 2.280 4.105 . 0 0 "[ . 1 . 2]" 2 304 1 60 HIS H 1 60 HIS HB2 . . 3.770 2.388 2.212 2.652 . 0 0 "[ . 1 . 2]" 2 305 1 60 HIS H 1 60 HIS HB3 . . 3.770 3.565 3.513 3.628 . 0 0 "[ . 1 . 2]" 2 306 1 60 HIS H 1 62 ARG H . . 4.980 4.098 3.701 4.448 . 0 0 "[ . 1 . 2]" 2 307 1 60 HIS HA 1 63 ASP H . . 4.040 3.944 3.700 4.054 0.014 7 0 "[ . 1 . 2]" 2 308 1 61 LEU H 1 61 LEU HB2 . . 3.840 2.837 2.640 3.182 . 0 0 "[ . 1 . 2]" 2 309 1 61 LEU H 1 61 LEU HB3 . . 3.840 2.255 2.152 2.378 . 0 0 "[ . 1 . 2]" 2 310 1 61 LEU H 1 61 LEU HG . . 4.410 4.242 4.014 4.400 . 0 0 "[ . 1 . 2]" 2 311 1 61 LEU H 1 62 ARG H . . 3.520 2.576 2.147 2.867 . 0 0 "[ . 1 . 2]" 2 312 1 55 PHE QD 1 61 LEU H . . 4.760 4.363 3.913 4.741 . 0 0 "[ . 1 . 2]" 2 313 1 61 LEU H 1 63 ASP H . . 4.730 4.469 3.968 4.728 . 0 0 "[ . 1 . 2]" 2 314 1 61 LEU HG 1 62 ARG H . . 4.310 3.349 2.960 3.637 . 0 0 "[ . 1 . 2]" 2 315 1 62 ARG H 1 62 ARG HB3 . . 3.470 2.996 2.281 3.581 0.111 8 0 "[ . 1 . 2]" 2 316 1 62 ARG H 1 62 ARG HG2 . . 4.690 3.986 2.837 4.606 . 0 0 "[ . 1 . 2]" 2 317 1 62 ARG H 1 63 ASP H . . 3.760 2.837 2.549 3.064 . 0 0 "[ . 1 . 2]" 2 318 1 64 HIS H 1 64 HIS HD2 . . 4.990 4.551 4.272 4.889 . 0 0 "[ . 1 . 2]" 2 319 1 62 ARG HA 1 65 ARG H . . 4.470 3.811 3.285 4.368 . 0 0 "[ . 1 . 2]" 2 320 1 62 ARG HB2 1 63 ASP H . . 3.920 3.125 2.312 4.021 0.101 9 0 "[ . 1 . 2]" 2 321 1 62 ARG HB3 1 63 ASP H . . 3.920 2.609 2.064 3.662 . 0 0 "[ . 1 . 2]" 2 322 1 62 ARG HG3 1 63 ASP H . . 4.820 4.385 1.883 4.763 . 0 0 "[ . 1 . 2]" 2 323 1 63 ASP H 1 63 ASP HB2 . . 3.700 2.849 2.234 3.558 . 0 0 "[ . 1 . 2]" 2 324 1 63 ASP H 1 63 ASP HB3 . . 3.700 2.690 2.191 3.599 . 0 0 "[ . 1 . 2]" 2 325 1 63 ASP H 1 64 HIS H . . 3.610 2.629 2.223 2.884 . 0 0 "[ . 1 . 2]" 2 326 1 63 ASP H 1 65 ARG H . . 4.900 4.381 4.106 4.717 . 0 0 "[ . 1 . 2]" 2 327 1 63 ASP HA 1 65 ARG H . . 4.740 4.242 3.821 4.618 . 0 0 "[ . 1 . 2]" 2 328 1 63 ASP HB2 1 64 HIS H . . 4.330 3.772 2.559 4.344 0.014 4 0 "[ . 1 . 2]" 2 329 1 97 MET H 1 97 MET HG2 . . 4.480 2.871 2.040 4.456 . 0 0 "[ . 1 . 2]" 2 330 1 63 ASP HB3 1 64 HIS H . . 4.330 3.346 2.602 4.077 . 0 0 "[ . 1 . 2]" 2 331 1 97 MET H 1 97 MET HG3 . . 4.480 3.336 2.405 4.421 . 0 0 "[ . 1 . 2]" 2 332 1 64 HIS H 1 64 HIS HB2 . . 3.420 2.902 2.704 3.101 . 0 0 "[ . 1 . 2]" 2 333 1 64 HIS H 1 64 HIS HB3 . . 3.420 2.231 2.180 2.372 . 0 0 "[ . 1 . 2]" 2 334 1 64 HIS H 1 65 ARG H . . 3.640 2.738 2.405 2.973 . 0 0 "[ . 1 . 2]" 2 335 1 64 HIS H 1 66 TYR H . . 4.680 4.111 3.900 4.220 . 0 0 "[ . 1 . 2]" 2 336 1 64 HIS HA 1 66 TYR H . . 4.750 3.504 3.338 3.799 . 0 0 "[ . 1 . 2]" 2 337 1 64 HIS HA 1 67 ILE H . . 4.690 3.687 3.475 3.992 . 0 0 "[ . 1 . 2]" 2 338 1 64 HIS HB2 1 65 ARG H . . 4.110 4.072 3.869 4.219 0.109 17 0 "[ . 1 . 2]" 2 339 1 64 HIS HB3 1 65 ARG H . . 4.110 2.802 2.519 3.033 . 0 0 "[ . 1 . 2]" 2 340 1 64 HIS HD2 1 65 ARG H . . 4.200 2.880 2.480 3.719 . 0 0 "[ . 1 . 2]" 2 341 1 65 ARG H 1 65 ARG QB . . 3.420 2.252 2.107 2.497 . 0 0 "[ . 1 . 2]" 2 342 1 65 ARG H 1 65 ARG QG . . 3.740 2.944 2.203 3.768 0.028 13 0 "[ . 1 . 2]" 2 343 1 65 ARG H 1 66 TYR H . . 3.690 2.807 2.710 2.910 . 0 0 "[ . 1 . 2]" 2 344 1 65 ARG HA 1 67 ILE H . . 4.850 3.989 3.563 4.288 . 0 0 "[ . 1 . 2]" 2 345 1 65 ARG HA 1 68 HIS H . . 4.200 3.571 3.269 3.920 . 0 0 "[ . 1 . 2]" 2 346 1 65 ARG QB 1 66 TYR H . . 3.980 3.097 2.829 3.602 . 0 0 "[ . 1 . 2]" 2 347 1 66 TYR H 1 66 TYR HB2 . . 3.390 2.358 2.154 2.795 . 0 0 "[ . 1 . 2]" 2 348 1 66 TYR H 1 66 TYR HB3 . . 3.390 2.938 2.290 3.528 0.138 15 0 "[ . 1 . 2]" 2 349 1 66 TYR H 1 67 ILE HA . . 5.500 5.290 5.079 5.460 . 0 0 "[ . 1 . 2]" 2 350 1 66 TYR HA 1 68 HIS H . . 4.450 3.796 3.519 4.373 . 0 0 "[ . 1 . 2]" 2 351 1 66 TYR HB2 1 67 ILE H . . 4.250 3.534 2.760 4.064 . 0 0 "[ . 1 . 2]" 2 352 1 66 TYR HB3 1 67 ILE H . . 4.250 2.939 2.414 3.688 . 0 0 "[ . 1 . 2]" 2 353 1 67 ILE H 1 67 ILE HB . . 3.660 3.600 3.565 3.620 . 0 0 "[ . 1 . 2]" 2 354 1 67 ILE H 1 67 ILE MG . . 3.360 1.944 1.843 2.138 . 0 0 "[ . 1 . 2]" 2 355 1 67 ILE H 1 67 ILE HG12 . . 3.970 2.541 2.292 2.703 . 0 0 "[ . 1 . 2]" 2 356 1 67 ILE H 1 67 ILE HG13 . . 3.970 3.361 3.016 3.853 . 0 0 "[ . 1 . 2]" 2 357 1 66 TYR H 1 67 ILE H . . 3.610 2.719 2.518 2.923 . 0 0 "[ . 1 . 2]" 2 358 1 67 ILE H 1 68 HIS H . . 3.550 2.739 2.554 2.888 . 0 0 "[ . 1 . 2]" 2 359 1 67 ILE HB 1 68 HIS H . . 4.310 4.035 3.859 4.142 . 0 0 "[ . 1 . 2]" 2 360 1 67 ILE HG12 1 68 HIS H . . 4.490 2.872 1.903 3.286 . 0 0 "[ . 1 . 2]" 2 361 1 67 ILE HG13 1 68 HIS H . . 4.490 2.376 2.183 2.829 . 0 0 "[ . 1 . 2]" 2 362 1 68 HIS H 1 68 HIS HB2 . . 3.740 2.521 2.414 2.631 . 0 0 "[ . 1 . 2]" 2 363 1 68 HIS H 1 68 HIS HB3 . . 3.740 3.640 3.594 3.681 . 0 0 "[ . 1 . 2]" 2 364 1 68 HIS H 1 68 HIS HD2 . . 4.030 3.673 3.186 4.007 . 0 0 "[ . 1 . 2]" 2 365 1 68 HIS H 1 69 SER H . . 4.840 3.952 2.375 4.588 . 0 0 "[ . 1 . 2]" 2 366 1 62 ARG H 1 62 ARG HB2 . . 3.470 2.413 2.177 3.548 0.078 9 0 "[ . 1 . 2]" 2 367 1 60 HIS HA 1 62 ARG H . . 4.770 4.476 4.215 4.770 0.000 17 0 "[ . 1 . 2]" 2 368 1 72 LYS HA 1 74 PHE H . . 4.540 3.854 3.421 4.553 0.013 12 0 "[ . 1 . 2]" 2 369 1 74 PHE H 1 89 LEU MD2 . . 4.930 4.581 3.655 4.930 . 20 0 "[ . 1 . 2]" 2 370 1 73 PRO HB3 1 74 PHE H . . 4.500 4.221 3.879 4.389 . 0 0 "[ . 1 . 2]" 2 371 1 73 PRO HG2 1 74 PHE H . . 4.350 2.595 1.904 2.986 . 0 0 "[ . 1 . 2]" 2 372 1 73 PRO HD2 1 74 PHE H . . 4.410 2.740 2.647 2.810 . 0 0 "[ . 1 . 2]" 2 373 1 73 PRO HD3 1 74 PHE H . . 4.410 3.886 3.836 3.929 . 0 0 "[ . 1 . 2]" 2 374 1 74 PHE H 1 74 PHE HB2 . . 4.040 2.965 2.182 3.840 . 0 0 "[ . 1 . 2]" 2 375 1 74 PHE H 1 74 PHE HB3 . . 4.040 3.438 2.754 4.054 0.014 4 0 "[ . 1 . 2]" 2 376 1 74 PHE H 1 74 PHE QD . . 3.740 2.930 2.196 3.742 0.002 9 0 "[ . 1 . 2]" 2 377 1 74 PHE H 1 75 LYS H . . 4.560 3.543 2.411 4.550 . 0 0 "[ . 1 . 2]" 2 378 1 74 PHE HA 1 75 LYS H . . 3.500 2.568 2.139 3.564 0.064 9 0 "[ . 1 . 2]" 2 379 1 74 PHE HB2 1 75 LYS H . . 4.650 3.999 2.873 4.622 . 0 0 "[ . 1 . 2]" 2 380 1 74 PHE HB3 1 75 LYS H . . 4.650 4.070 2.330 4.557 . 0 0 "[ . 1 . 2]" 2 381 1 75 LYS H 1 75 LYS HB2 . . 3.770 3.289 2.539 3.851 0.081 12 0 "[ . 1 . 2]" 2 382 1 75 LYS H 1 75 LYS HB3 . . 3.770 2.913 2.506 3.702 . 0 0 "[ . 1 . 2]" 2 383 1 75 LYS H 1 75 LYS HG2 . . 5.060 3.941 2.205 4.914 . 0 0 "[ . 1 . 2]" 2 384 1 75 LYS H 1 75 LYS HG3 . . 5.060 4.333 3.488 4.942 . 0 0 "[ . 1 . 2]" 2 385 1 74 PHE QD 1 75 LYS H . . 4.760 4.573 3.786 4.765 0.005 18 0 "[ . 1 . 2]" 2 386 1 75 LYS HA 1 76 CYS H . . 3.190 2.191 2.140 2.265 . 0 0 "[ . 1 . 2]" 2 387 1 75 LYS HA 1 83 PHE H . . 5.270 4.603 3.741 5.270 0.000 19 0 "[ . 1 . 2]" 2 388 1 75 LYS HB2 1 76 CYS H . . 4.710 3.865 2.826 4.496 . 0 0 "[ . 1 . 2]" 2 389 1 75 LYS QD 1 76 CYS H . . 5.180 4.684 2.944 5.214 0.034 11 0 "[ . 1 . 2]" 2 390 1 75 LYS HB3 1 76 CYS H . . 4.710 4.061 2.947 4.405 . 0 0 "[ . 1 . 2]" 2 391 1 75 LYS HG2 1 76 CYS H . . 4.630 3.748 2.622 4.642 0.012 11 0 "[ . 1 . 2]" 2 392 1 75 LYS HG3 1 76 CYS H . . 4.630 3.609 2.908 4.557 . 0 0 "[ . 1 . 2]" 2 393 1 76 CYS H 1 76 CYS HB2 . . 3.570 2.588 2.302 2.823 . 0 0 "[ . 1 . 2]" 2 394 1 76 CYS H 1 76 CYS HB3 . . 3.540 2.518 2.345 2.794 . 0 0 "[ . 1 . 2]" 2 395 1 76 CYS H 1 80 GLY H . . 4.800 4.423 3.880 4.748 . 0 0 "[ . 1 . 2]" 2 396 1 76 CYS H 1 81 LYS H . . 4.410 3.542 2.679 4.039 . 0 0 "[ . 1 . 2]" 2 397 1 76 CYS H 1 83 PHE H . . 5.450 4.916 4.262 5.417 . 0 0 "[ . 1 . 2]" 2 398 1 76 CYS H 1 89 LEU MD1 . . 4.050 2.877 1.945 3.577 . 0 0 "[ . 1 . 2]" 2 399 1 76 CYS HA 1 78 GLU H . . 4.760 4.147 3.258 4.364 . 0 0 "[ . 1 . 2]" 2 400 1 79 CYS H 1 79 CYS HB3 . . 3.880 2.784 2.650 3.183 . 0 0 "[ . 1 . 2]" 2 401 1 76 CYS HB3 1 79 CYS H . . 3.940 3.687 3.177 3.906 . 0 0 "[ . 1 . 2]" 2 402 1 76 CYS HB2 1 80 GLY H . . 4.350 3.783 3.461 4.351 0.001 2 0 "[ . 1 . 2]" 2 403 1 76 CYS HB3 1 80 GLY H . . 4.040 2.224 1.899 2.731 . 0 0 "[ . 1 . 2]" 2 404 1 76 CYS HB3 1 81 LYS H . . 3.750 2.333 1.900 2.671 . 0 0 "[ . 1 . 2]" 2 405 1 76 CYS HB3 1 78 GLU H . . 4.710 4.447 3.365 4.711 0.001 19 0 "[ . 1 . 2]" 2 406 1 77 GLN HB2 1 78 GLU H . . 4.360 3.515 2.611 4.366 0.006 7 0 "[ . 1 . 2]" 2 407 1 77 GLN HB3 1 78 GLU H . . 4.360 3.134 2.575 3.954 . 0 0 "[ . 1 . 2]" 2 408 1 78 GLU H 1 78 GLU HB3 . . 3.580 3.558 3.526 3.581 0.001 12 0 "[ . 1 . 2]" 2 409 1 78 GLU H 1 78 GLU HB2 . . 3.290 2.325 2.243 2.416 . 0 0 "[ . 1 . 2]" 2 410 1 78 GLU H 1 78 GLU HG2 . . 4.090 2.847 2.328 4.084 . 0 0 "[ . 1 . 2]" 2 411 1 78 GLU H 1 78 GLU HG3 . . 4.090 3.598 2.644 4.028 . 0 0 "[ . 1 . 2]" 2 412 1 78 GLU H 1 79 CYS H . . 3.280 2.995 2.250 3.153 . 0 0 "[ . 1 . 2]" 2 413 1 78 GLU H 1 80 GLY H . . 4.060 3.929 3.199 4.062 0.002 2 0 "[ . 1 . 2]" 2 414 1 78 GLU HB3 1 79 CYS H . . 3.600 2.824 2.606 3.174 . 0 0 "[ . 1 . 2]" 2 415 1 78 GLU HB2 1 79 CYS H . . 3.570 2.237 2.044 2.538 . 0 0 "[ . 1 . 2]" 2 416 1 78 GLU HG2 1 79 CYS H . . 4.790 4.470 4.275 4.642 . 0 0 "[ . 1 . 2]" 2 417 1 78 GLU HG3 1 79 CYS H . . 4.790 4.543 4.372 4.791 0.001 10 0 "[ . 1 . 2]" 2 418 1 79 CYS H 1 79 CYS HB2 . . 3.880 3.670 3.612 3.756 . 0 0 "[ . 1 . 2]" 2 419 1 79 CYS H 1 80 GLY H . . 3.090 2.233 1.936 2.411 . 0 0 "[ . 1 . 2]" 2 420 1 76 CYS HB2 1 81 LYS H . . 4.440 3.635 3.128 4.198 . 0 0 "[ . 1 . 2]" 2 421 1 80 GLY H 1 81 LYS H . . 3.640 2.727 2.167 3.103 . 0 0 "[ . 1 . 2]" 2 422 1 81 LYS H 1 81 LYS HB2 . . 3.730 2.589 2.167 3.738 0.008 14 0 "[ . 1 . 2]" 2 423 1 81 LYS H 1 81 LYS HB3 . . 3.730 3.299 2.534 3.583 . 0 0 "[ . 1 . 2]" 2 424 1 81 LYS HA 1 82 GLY H . . 2.980 2.521 2.403 2.647 . 0 0 "[ . 1 . 2]" 2 425 1 81 LYS HB2 1 82 GLY H . . 3.870 3.361 2.143 3.866 . 0 0 "[ . 1 . 2]" 2 426 1 81 LYS HB3 1 82 GLY H . . 3.870 2.635 1.977 3.855 . 0 0 "[ . 1 . 2]" 2 427 1 81 LYS HG2 1 82 GLY H . . 4.770 4.081 3.437 4.740 . 0 0 "[ . 1 . 2]" 2 428 1 81 LYS HG3 1 82 GLY H . . 4.770 4.196 2.834 4.659 . 0 0 "[ . 1 . 2]" 2 429 1 82 GLY H 1 83 PHE H . . 4.600 3.426 2.890 4.412 . 0 0 "[ . 1 . 2]" 2 430 1 83 PHE H 1 83 PHE QD . . 3.610 2.482 1.897 3.136 . 0 0 "[ . 1 . 2]" 2 431 1 84 CYS HB2 1 85 GLN H . . 4.700 3.704 2.595 4.521 . 0 0 "[ . 1 . 2]" 2 432 1 84 CYS HB3 1 85 GLN H . . 4.700 3.792 2.255 4.655 . 0 0 "[ . 1 . 2]" 2 433 1 85 GLN H 1 85 GLN QG . . 4.310 3.414 2.722 4.232 . 0 0 "[ . 1 . 2]" 2 434 1 85 GLN HB2 1 88 THR H . . 4.150 3.573 3.145 4.134 . 0 0 "[ . 1 . 2]" 2 435 1 85 GLN HB3 1 88 THR H . . 4.150 2.914 2.218 3.634 . 0 0 "[ . 1 . 2]" 2 436 1 87 ARG HA 1 90 ALA H . . 4.020 3.688 3.230 4.038 0.018 20 0 "[ . 1 . 2]" 2 437 1 87 ARG HB2 1 88 THR H . . 4.400 3.219 2.372 4.385 . 0 0 "[ . 1 . 2]" 2 438 1 87 ARG HB3 1 88 THR H . . 4.400 3.062 1.978 4.363 . 0 0 "[ . 1 . 2]" 2 439 1 87 ARG QG 1 88 THR H . . 4.290 3.851 1.960 4.258 . 0 0 "[ . 1 . 2]" 2 440 1 88 THR H 1 88 THR HB . . 3.790 2.727 2.532 3.612 . 0 0 "[ . 1 . 2]" 2 441 1 88 THR H 1 88 THR MG . . 4.250 3.192 1.913 3.826 . 0 0 "[ . 1 . 2]" 2 442 1 88 THR H 1 89 LEU H . . 3.610 2.754 2.293 3.123 . 0 0 "[ . 1 . 2]" 2 443 1 88 THR H 1 90 ALA H . . 4.390 4.209 3.819 4.418 0.028 20 0 "[ . 1 . 2]" 2 444 1 89 LEU HG 1 90 ALA H . . 4.230 3.661 3.356 4.141 . 0 0 "[ . 1 . 2]" 2 445 1 88 THR HA 1 91 VAL H . . 3.810 3.557 3.205 3.810 0.000 9 0 "[ . 1 . 2]" 2 446 1 88 THR HA 1 92 HIS H . . 4.620 4.228 3.681 4.661 0.041 20 0 "[ . 1 . 2]" 2 447 1 88 THR HB 1 89 LEU H . . 4.210 2.901 2.129 4.132 . 0 0 "[ . 1 . 2]" 2 448 1 89 LEU H 1 89 LEU MD1 . . 4.660 4.093 3.944 4.269 . 0 0 "[ . 1 . 2]" 2 449 1 89 LEU H 1 89 LEU MD2 . . 5.050 4.196 4.064 4.264 . 0 0 "[ . 1 . 2]" 2 450 1 89 LEU H 1 89 LEU HB2 . . 3.770 2.569 2.402 2.819 . 0 0 "[ . 1 . 2]" 2 451 1 89 LEU H 1 89 LEU HB3 . . 3.770 2.471 2.262 2.665 . 0 0 "[ . 1 . 2]" 2 452 1 89 LEU H 1 89 LEU HG . . 4.530 4.451 4.278 4.542 0.012 1 0 "[ . 1 . 2]" 2 453 1 89 LEU H 1 90 ALA H . . 3.450 2.794 2.301 2.987 . 0 0 "[ . 1 . 2]" 2 454 1 89 LEU HB2 1 90 ALA H . . 4.050 3.942 3.721 4.051 0.001 7 0 "[ . 1 . 2]" 2 455 1 89 LEU HB3 1 90 ALA H . . 4.050 2.641 2.281 2.931 . 0 0 "[ . 1 . 2]" 2 456 1 89 LEU MD2 1 90 ALA H . . 4.840 4.201 3.910 4.677 . 0 0 "[ . 1 . 2]" 2 457 1 90 ALA H 1 90 ALA MB . . 2.930 2.125 2.032 2.236 . 0 0 "[ . 1 . 2]" 2 458 1 90 ALA H 1 91 VAL H . . 3.580 2.794 2.481 3.075 . 0 0 "[ . 1 . 2]" 2 459 1 89 LEU H 1 92 HIS H . . 5.410 4.797 4.644 4.991 . 0 0 "[ . 1 . 2]" 2 460 1 92 HIS H 1 92 HIS HD2 . . 5.500 4.802 4.444 5.177 . 0 0 "[ . 1 . 2]" 2 461 1 90 ALA HA 1 93 LYS H . . 4.220 3.764 3.287 4.178 . 0 0 "[ . 1 . 2]" 2 462 1 90 ALA MB 1 91 VAL H . . 3.380 2.470 2.013 2.971 . 0 0 "[ . 1 . 2]" 2 463 1 91 VAL H 1 91 VAL HB . . 3.240 2.542 2.393 2.687 . 0 0 "[ . 1 . 2]" 2 464 1 91 VAL H 1 91 VAL MG1 . . 3.790 3.455 2.113 3.780 . 0 0 "[ . 1 . 2]" 2 465 1 91 VAL H 1 91 VAL MG2 . . 3.790 2.447 1.879 3.765 . 0 0 "[ . 1 . 2]" 2 466 1 91 VAL H 1 92 HIS H . . 3.500 2.639 2.384 2.873 . 0 0 "[ . 1 . 2]" 2 467 1 91 VAL H 1 93 LYS H . . 4.720 4.330 3.939 4.652 . 0 0 "[ . 1 . 2]" 2 468 1 91 VAL HA 1 94 THR H . . 4.450 3.779 3.463 4.248 . 0 0 "[ . 1 . 2]" 2 469 1 91 VAL MG1 1 92 HIS H . . 4.000 3.301 2.223 3.878 . 0 0 "[ . 1 . 2]" 2 470 1 91 VAL MG2 1 92 HIS H . . 4.000 3.842 3.669 4.001 0.001 2 0 "[ . 1 . 2]" 2 471 1 92 HIS H 1 92 HIS HB2 . . 3.410 2.823 2.518 3.067 . 0 0 "[ . 1 . 2]" 2 472 1 92 HIS H 1 92 HIS HB3 . . 3.410 2.337 2.196 2.576 . 0 0 "[ . 1 . 2]" 2 473 1 92 HIS H 1 93 LYS H . . 3.620 2.705 2.322 3.011 . 0 0 "[ . 1 . 2]" 2 474 1 92 HIS H 1 94 THR H . . 4.740 4.172 3.673 4.694 . 0 0 "[ . 1 . 2]" 2 475 1 92 HIS HD2 1 93 LYS H . . 4.150 3.449 2.471 4.061 . 0 0 "[ . 1 . 2]" 2 476 1 93 LYS H 1 93 LYS QB . . 3.240 2.344 2.229 2.504 . 0 0 "[ . 1 . 2]" 2 477 1 93 LYS H 1 93 LYS HG2 . . 3.740 3.084 2.210 3.886 0.146 15 0 "[ . 1 . 2]" 2 478 1 93 LYS H 1 93 LYS HG3 . . 3.740 3.211 2.441 3.718 . 0 0 "[ . 1 . 2]" 2 479 1 93 LYS H 1 94 THR H . . 3.510 2.853 2.379 3.055 . 0 0 "[ . 1 . 2]" 2 480 1 93 LYS HA 1 95 LEU H . . 4.900 4.491 3.599 4.849 . 0 0 "[ . 1 . 2]" 2 481 1 93 LYS HA 1 96 HIS H . . 4.210 3.731 3.274 4.161 . 0 0 "[ . 1 . 2]" 2 482 1 93 LYS QB 1 94 THR H . . 3.780 2.749 2.437 3.195 . 0 0 "[ . 1 . 2]" 2 483 1 94 THR H 1 94 THR HB . . 3.810 3.629 3.608 3.680 . 0 0 "[ . 1 . 2]" 2 484 1 94 THR H 1 94 THR MG . . 3.140 2.224 1.892 2.855 . 0 0 "[ . 1 . 2]" 2 485 1 94 THR H 1 95 LEU H . . 3.440 2.732 2.311 3.118 . 0 0 "[ . 1 . 2]" 2 486 1 94 THR H 1 96 HIS H . . 4.600 4.177 3.860 4.515 . 0 0 "[ . 1 . 2]" 2 487 1 94 THR HA 1 97 MET H . . 4.820 4.146 3.342 4.821 0.001 13 0 "[ . 1 . 2]" 2 488 1 94 THR HB 1 95 LEU H . . 4.150 3.604 3.204 4.146 . 0 0 "[ . 1 . 2]" 2 489 1 95 LEU H 1 95 LEU HB2 . . 3.770 2.667 2.290 3.642 . 0 0 "[ . 1 . 2]" 2 490 1 95 LEU H 1 95 LEU HB3 . . 3.770 3.240 2.161 3.613 . 0 0 "[ . 1 . 2]" 2 491 1 95 LEU H 1 95 LEU HG . . 3.380 2.695 2.200 3.387 0.007 8 0 "[ . 1 . 2]" 2 492 1 95 LEU H 1 95 LEU MD2 . . 4.580 3.656 3.215 4.131 . 0 0 "[ . 1 . 2]" 2 493 1 95 LEU H 1 96 HIS H . . 3.380 2.823 2.268 3.050 . 0 0 "[ . 1 . 2]" 2 494 1 95 LEU HB2 1 96 HIS H . . 4.460 3.132 2.487 4.251 . 0 0 "[ . 1 . 2]" 2 495 1 95 LEU HB3 1 96 HIS H . . 4.460 3.569 3.182 4.096 . 0 0 "[ . 1 . 2]" 2 496 1 96 HIS H 1 96 HIS HB2 . . 3.670 2.322 2.208 2.461 . 0 0 "[ . 1 . 2]" 2 497 1 96 HIS H 1 96 HIS HB3 . . 3.670 3.568 3.492 3.653 . 0 0 "[ . 1 . 2]" 2 498 1 96 HIS H 1 96 HIS HD2 . . 4.070 3.555 3.126 4.062 . 0 0 "[ . 1 . 2]" 2 499 1 96 HIS H 1 97 MET H . . 3.830 3.043 2.572 3.382 . 0 0 "[ . 1 . 2]" 2 500 1 96 HIS HB2 1 97 MET H . . 4.900 3.379 1.997 4.397 . 0 0 "[ . 1 . 2]" 2 501 1 96 HIS HB3 1 97 MET H . . 4.900 3.716 2.517 4.429 . 0 0 "[ . 1 . 2]" 2 502 1 103 THR HB 1 104 ALA H . . 5.500 3.602 2.263 4.445 . 0 0 "[ . 1 . 2]" 2 503 1 53 LYS H 1 55 PHE QE . . 4.390 3.236 2.929 3.574 . 0 0 "[ . 1 . 2]" 2 504 1 25 ARG H 1 27 PHE QE . . 4.420 3.362 3.050 3.761 . 0 0 "[ . 1 . 2]" 2 505 1 41 THR MG 1 42 ASP H . . 4.640 3.860 1.894 4.397 . 0 0 "[ . 1 . 2]" 2 506 1 18 PHE H 1 33 LEU MD2 . . 4.250 4.105 3.470 4.257 0.007 1 0 "[ . 1 . 2]" 2 507 1 18 PHE H 1 18 PHE QE . . 5.220 4.755 3.898 5.217 . 0 0 "[ . 1 . 2]" 2 508 1 26 HIS H 1 26 HIS HD2 . . 3.910 2.163 1.905 2.662 . 0 0 "[ . 1 . 2]" 2 509 1 88 THR MG 1 92 HIS H . . 5.500 4.286 3.169 5.464 . 0 0 "[ . 1 . 2]" 2 510 1 92 HIS H 1 94 THR MG . . 5.500 4.799 4.110 5.351 . 0 0 "[ . 1 . 2]" 2 511 1 22 PHE H 1 22 PHE QE . . 4.230 4.167 4.042 4.234 0.004 6 0 "[ . 1 . 2]" 2 512 1 76 CYS HB2 1 78 GLU H . . 5.010 4.826 4.415 5.007 . 0 0 "[ . 1 . 2]" 2 513 1 61 LEU MD2 1 62 ARG H . . 4.350 4.162 3.674 4.352 0.002 9 0 "[ . 1 . 2]" 2 514 1 21 LYS H 1 22 PHE QE . . 4.810 4.555 4.008 4.802 . 0 0 "[ . 1 . 2]" 2 515 1 46 TYR H 1 46 TYR QE . . 4.200 4.001 3.708 4.254 0.054 9 0 "[ . 1 . 2]" 2 516 1 61 LEU MD1 1 64 HIS H . . 4.870 4.630 4.343 4.840 . 0 0 "[ . 1 . 2]" 2 517 1 27 PHE H 1 33 LEU MD1 . . 4.850 4.551 3.974 4.851 0.001 18 0 "[ . 1 . 2]" 2 518 1 19 ILE MG 1 27 PHE H . . 5.430 4.784 4.556 5.081 . 0 0 "[ . 1 . 2]" 2 519 1 19 ILE MD 1 27 PHE H . . 5.500 5.045 4.817 5.395 . 0 0 "[ . 1 . 2]" 2 520 1 27 PHE H 1 27 PHE QE . . 4.900 4.816 4.633 4.906 0.006 15 0 "[ . 1 . 2]" 2 521 1 29 LYS H 1 29 LYS QG . . 4.170 3.142 1.894 4.184 0.014 7 0 "[ . 1 . 2]" 2 522 1 33 LEU MD1 1 36 HIS H . . 5.170 4.488 4.139 4.788 . 0 0 "[ . 1 . 2]" 2 523 1 40 HIS H 1 41 THR MG . . 4.510 3.767 3.253 4.357 . 0 0 "[ . 1 . 2]" 2 524 1 55 PHE H 1 61 LEU MD2 . . 4.930 4.500 4.019 4.912 . 0 0 "[ . 1 . 2]" 2 525 1 46 TYR QD 1 55 PHE H . . 4.630 4.149 3.718 4.632 0.002 7 0 "[ . 1 . 2]" 2 526 1 46 TYR QD 1 47 THR H . . 4.810 4.690 4.117 4.875 0.065 1 0 "[ . 1 . 2]" 2 527 1 73 PRO HG3 1 74 PHE H . . 4.350 4.050 3.531 4.343 . 0 0 "[ . 1 . 2]" 2 528 1 73 PRO HB2 1 74 PHE H . . 4.500 3.472 2.880 3.762 . 0 0 "[ . 1 . 2]" 2 529 1 89 LEU HA 1 91 VAL H . . 5.300 4.622 3.861 5.280 . 0 0 "[ . 1 . 2]" 2 530 1 61 LEU HA 1 63 ASP H . . 5.340 4.876 4.231 5.209 . 0 0 "[ . 1 . 2]" 2 531 1 62 ARG QD 1 63 ASP H . . 5.500 4.179 2.586 5.012 . 0 0 "[ . 1 . 2]" 2 532 1 67 ILE MG 1 68 HIS H . . 4.080 3.839 3.533 3.954 . 0 0 "[ . 1 . 2]" 2 533 1 61 LEU MD1 1 65 ARG H . . 4.420 3.944 3.512 4.273 . 0 0 "[ . 1 . 2]" 2 534 1 65 ARG H 1 65 ARG HD2 . . 5.500 4.863 4.349 5.530 0.030 13 0 "[ . 1 . 2]" 2 535 1 65 ARG H 1 65 ARG HD3 . . 5.500 4.616 3.570 5.233 . 0 0 "[ . 1 . 2]" 2 536 1 50 ILE MD 1 51 CYS H . . 4.320 3.943 3.799 4.078 . 0 0 "[ . 1 . 2]" 2 537 1 89 LEU MD1 1 93 LYS H . . 4.580 4.041 3.578 4.488 . 0 0 "[ . 1 . 2]" 2 538 1 29 LYS QG 1 32 ASN H . . 3.910 3.047 1.882 3.917 0.007 12 0 "[ . 1 . 2]" 2 539 1 48 CYS H 1 55 PHE QE . . 4.180 2.854 2.367 3.376 . 0 0 "[ . 1 . 2]" 2 540 1 48 CYS H 1 55 PHE QD . . 4.670 4.023 3.691 4.496 . 0 0 "[ . 1 . 2]" 2 541 1 78 GLU HB2 1 80 GLY H . . 4.390 4.184 3.997 4.323 . 0 0 "[ . 1 . 2]" 2 542 1 76 CYS H 1 83 PHE QE . . 4.510 3.550 1.908 4.507 . 0 0 "[ . 1 . 2]" 2 543 1 76 CYS H 1 83 PHE QD . . 4.680 3.501 2.634 4.568 . 0 0 "[ . 1 . 2]" 2 544 1 19 ILE MG 1 24 GLY H . . 4.190 4.010 3.789 4.182 . 0 0 "[ . 1 . 2]" 2 545 1 18 PHE QD 1 19 ILE H . . 4.170 3.778 3.341 4.204 0.034 15 0 "[ . 1 . 2]" 2 546 1 75 LYS H 1 89 LEU MD2 . . 4.380 3.727 2.553 4.350 . 0 0 "[ . 1 . 2]" 2 547 1 10 LEU HA 1 11 PRO HD2 . . 3.520 2.172 1.916 2.432 . 0 0 "[ . 1 . 2]" 2 548 1 10 LEU HA 1 11 PRO HD3 . . 3.520 2.339 2.253 3.249 . 0 0 "[ . 1 . 2]" 2 549 1 15 LYS HA 1 15 LYS QD . . 4.100 3.503 2.086 4.201 0.101 16 0 "[ . 1 . 2]" 2 550 1 16 LYS HA 1 16 LYS QG . . 3.930 2.545 2.185 3.429 . 0 0 "[ . 1 . 2]" 2 551 1 16 LYS QB 1 16 LYS QE . . 4.570 3.165 2.176 3.797 . 0 0 "[ . 1 . 2]" 2 552 1 17 GLU HA 1 17 GLU HG2 . . 4.200 3.388 2.538 4.194 . 0 0 "[ . 1 . 2]" 2 553 1 17 GLU HA 1 17 GLU HG3 . . 4.200 3.398 2.352 4.201 0.001 9 0 "[ . 1 . 2]" 2 554 1 18 PHE HA 1 18 PHE QD . . 4.360 2.624 2.261 3.692 . 0 0 "[ . 1 . 2]" 2 555 1 18 PHE HB3 1 33 LEU MD2 . . 3.440 2.277 1.855 3.175 . 0 0 "[ . 1 . 2]" 2 556 1 18 PHE QE 1 30 SER HB2 . . 4.210 3.032 2.007 4.129 . 0 0 "[ . 1 . 2]" 2 557 1 18 PHE QE 1 30 SER HB3 . . 4.210 2.954 2.051 4.079 . 0 0 "[ . 1 . 2]" 2 558 1 18 PHE QD 1 30 SER HA . . 4.500 2.642 2.030 3.867 . 0 0 "[ . 1 . 2]" 2 559 1 19 ILE MG 1 26 HIS H . . 4.700 3.774 3.282 4.441 . 0 0 "[ . 1 . 2]" 2 560 1 19 ILE HG12 1 26 HIS H . . 5.480 4.379 3.820 5.439 . 0 0 "[ . 1 . 2]" 2 561 1 18 PHE HA 1 19 ILE MD . . 4.990 4.439 4.097 4.686 . 0 0 "[ . 1 . 2]" 2 562 1 19 ILE HA 1 26 HIS HA . . 4.860 2.821 2.517 3.273 . 0 0 "[ . 1 . 2]" 2 563 1 19 ILE HB 1 19 ILE MD . . 3.220 2.196 2.106 2.284 . 0 0 "[ . 1 . 2]" 2 564 1 19 ILE HG12 1 19 ILE MG . . 3.480 2.164 2.065 2.344 . 0 0 "[ . 1 . 2]" 2 565 1 19 ILE HG13 1 19 ILE MG . . 3.590 3.162 3.135 3.191 . 0 0 "[ . 1 . 2]" 2 566 1 19 ILE MG 1 24 GLY HA2 . . 3.670 2.333 2.148 2.548 . 0 0 "[ . 1 . 2]" 2 567 1 19 ILE MG 1 24 GLY HA3 . . 3.670 3.277 3.054 3.592 . 0 0 "[ . 1 . 2]" 2 568 1 19 ILE MG 1 25 ARG H . . 4.000 2.806 1.870 3.536 . 0 0 "[ . 1 . 2]" 2 569 1 19 ILE MD 1 26 HIS HA . . 4.600 3.886 3.592 4.217 . 0 0 "[ . 1 . 2]" 2 570 1 19 ILE MD 1 26 HIS HE1 . . 4.050 2.768 2.253 3.661 . 0 0 "[ . 1 . 2]" 2 571 1 20 CYS HA 1 33 LEU MD1 . . 3.800 2.440 2.041 2.997 . 0 0 "[ . 1 . 2]" 2 572 1 20 CYS HB3 1 33 LEU MD1 . . 4.270 4.074 3.839 4.265 . 0 0 "[ . 1 . 2]" 2 573 1 20 CYS HB2 1 33 LEU MD1 . . 3.530 2.818 2.572 3.007 . 0 0 "[ . 1 . 2]" 2 574 1 20 CYS HB3 1 36 HIS HD2 . . 4.400 4.231 3.762 4.392 . 0 0 "[ . 1 . 2]" 2 575 1 20 CYS HB2 1 36 HIS HD2 . . 4.030 2.872 2.360 3.164 . 0 0 "[ . 1 . 2]" 2 576 1 21 LYS QB 1 21 LYS QE . . 3.800 2.967 2.123 3.663 . 0 0 "[ . 1 . 2]" 2 577 1 21 LYS QE 1 21 LYS HG2 . . 3.660 2.790 2.079 3.477 . 0 0 "[ . 1 . 2]" 2 578 1 21 LYS QE 1 21 LYS HG3 . . 3.660 2.446 2.084 3.253 . 0 0 "[ . 1 . 2]" 2 579 1 21 LYS QE 1 22 PHE QE . . 4.250 3.272 2.311 4.113 . 0 0 "[ . 1 . 2]" 2 580 1 21 LYS QE 1 22 PHE HZ . . 4.760 3.553 2.476 4.761 0.001 8 0 "[ . 1 . 2]" 2 581 1 22 PHE HA 1 22 PHE QD . . 3.970 2.818 2.576 3.113 . 0 0 "[ . 1 . 2]" 2 582 1 23 CYS HA 1 40 HIS HE1 . . 4.430 4.179 3.888 4.420 . 0 0 "[ . 1 . 2]" 2 583 1 23 CYS HB2 1 40 HIS HE1 . . 4.210 4.026 3.698 4.212 0.002 15 0 "[ . 1 . 2]" 2 584 1 23 CYS HB3 1 40 HIS HE1 . . 4.210 2.303 2.002 2.486 . 0 0 "[ . 1 . 2]" 2 585 1 25 ARG H 1 25 ARG HG2 . . 4.790 4.443 4.141 4.747 . 0 0 "[ . 1 . 2]" 2 586 1 25 ARG HA 1 25 ARG HG2 . . 3.960 3.217 2.167 3.885 . 0 0 "[ . 1 . 2]" 2 587 1 25 ARG HA 1 25 ARG HG3 . . 3.960 2.691 2.405 3.468 . 0 0 "[ . 1 . 2]" 2 588 1 44 ARG HB3 1 44 ARG QD . . 3.810 2.522 2.074 3.412 . 0 0 "[ . 1 . 2]" 2 589 1 25 ARG HB2 1 27 PHE QE . . 4.370 3.783 2.656 4.203 . 0 0 "[ . 1 . 2]" 2 590 1 25 ARG HB3 1 27 PHE QE . . 4.370 2.245 2.004 2.937 . 0 0 "[ . 1 . 2]" 2 591 1 27 PHE HB2 1 33 LEU HA . . 4.330 3.879 3.479 4.144 . 0 0 "[ . 1 . 2]" 2 592 1 27 PHE HB3 1 33 LEU HA . . 4.330 3.851 3.529 4.117 . 0 0 "[ . 1 . 2]" 2 593 1 27 PHE HZ 1 33 LEU MD1 . . 5.020 3.340 3.030 3.711 . 0 0 "[ . 1 . 2]" 2 594 1 83 PHE HZ 1 89 LEU MD1 . . 5.500 4.037 2.322 5.313 . 0 0 "[ . 1 . 2]" 2 595 1 27 PHE HZ 1 36 HIS QB . . 4.070 2.628 2.129 3.071 . 0 0 "[ . 1 . 2]" 2 596 1 27 PHE QE 1 33 LEU HA . . 4.920 3.185 2.780 3.451 . 0 0 "[ . 1 . 2]" 2 597 1 27 PHE QE 1 33 LEU MD1 . . 3.770 2.550 2.175 2.926 . 0 0 "[ . 1 . 2]" 2 598 1 27 PHE QE 1 36 HIS QB . . 3.960 2.187 1.956 2.606 . 0 0 "[ . 1 . 2]" 2 599 1 27 PHE QE 1 36 HIS HD2 . . 4.100 3.329 2.970 3.568 . 0 0 "[ . 1 . 2]" 2 600 1 27 PHE QD 1 33 LEU HA . . 3.790 3.000 2.618 3.402 . 0 0 "[ . 1 . 2]" 2 601 1 27 PHE QD 1 33 LEU HB2 . . 4.850 3.375 2.924 3.711 . 0 0 "[ . 1 . 2]" 2 602 1 27 PHE QD 1 33 LEU HB3 . . 4.850 4.715 4.414 4.857 0.007 7 0 "[ . 1 . 2]" 2 603 1 27 PHE QD 1 33 LEU MD1 . . 3.570 2.469 2.033 2.837 . 0 0 "[ . 1 . 2]" 2 604 1 27 PHE QD 1 36 HIS QB . . 4.110 3.910 3.510 4.117 0.007 6 0 "[ . 1 . 2]" 2 605 1 29 LYS QB 1 32 ASN QB . . 4.440 2.605 1.843 3.948 . 0 0 "[ . 1 . 2]" 2 606 1 29 LYS QE 1 29 LYS QG . . 3.390 2.253 2.071 2.603 . 0 0 "[ . 1 . 2]" 2 607 1 30 SER HA 1 33 LEU HB3 . . 4.470 3.253 2.796 3.639 . 0 0 "[ . 1 . 2]" 2 608 1 30 SER HA 1 33 LEU HB2 . . 4.470 3.700 3.198 4.138 . 0 0 "[ . 1 . 2]" 2 609 1 30 SER HA 1 33 LEU MD2 . . 4.180 3.542 3.139 3.939 . 0 0 "[ . 1 . 2]" 2 610 1 31 TYR HA 1 31 TYR QD . . 3.730 3.144 2.900 3.625 . 0 0 "[ . 1 . 2]" 2 611 1 31 TYR HA 1 34 LEU HG . . 3.690 3.436 3.107 3.670 . 0 0 "[ . 1 . 2]" 2 612 1 31 TYR HA 1 34 LEU HB3 . . 3.880 3.332 3.163 3.469 . 0 0 "[ . 1 . 2]" 2 613 1 31 TYR HA 1 34 LEU HB2 . . 5.090 4.877 4.705 5.032 . 0 0 "[ . 1 . 2]" 2 614 1 31 TYR HA 1 34 LEU MD2 . . 4.200 2.263 1.988 2.624 . 0 0 "[ . 1 . 2]" 2 615 1 31 TYR QE 1 35 ILE HG12 . . 4.470 2.650 2.022 4.473 0.003 12 0 "[ . 1 . 2]" 2 616 1 31 TYR QE 1 35 ILE HG13 . . 4.470 2.855 2.342 3.753 . 0 0 "[ . 1 . 2]" 2 617 1 31 TYR QE 1 35 ILE MD . . 3.680 2.038 1.784 2.517 . 0 0 "[ . 1 . 2]" 2 618 1 31 TYR QD 1 35 ILE HB . . 4.380 4.194 3.880 4.386 0.006 18 0 "[ . 1 . 2]" 2 619 1 31 TYR QD 1 34 LEU MD2 . . 4.140 2.952 2.586 3.559 . 0 0 "[ . 1 . 2]" 2 620 1 31 TYR QD 1 35 ILE HG12 . . 4.640 3.363 2.753 3.906 . 0 0 "[ . 1 . 2]" 2 621 1 31 TYR QD 1 35 ILE HG13 . . 4.640 2.198 1.998 2.511 . 0 0 "[ . 1 . 2]" 2 622 1 31 TYR QD 1 32 ASN HA . . 4.380 3.083 2.755 3.434 . 0 0 "[ . 1 . 2]" 2 623 1 32 ASN HA 1 35 ILE HB . . 3.710 2.885 2.679 3.096 . 0 0 "[ . 1 . 2]" 2 624 1 32 ASN HA 1 35 ILE HG13 . . 4.760 2.998 2.428 3.481 . 0 0 "[ . 1 . 2]" 2 625 1 32 ASN HA 1 35 ILE HG12 . . 4.760 4.485 4.037 4.713 . 0 0 "[ . 1 . 2]" 2 626 1 33 LEU HA 1 33 LEU HG . . 4.180 3.252 3.066 3.425 . 0 0 "[ . 1 . 2]" 2 627 1 33 LEU HA 1 33 LEU MD1 . . 3.140 2.239 1.975 2.586 . 0 0 "[ . 1 . 2]" 2 628 1 18 PHE HB2 1 33 LEU MD2 . . 3.440 2.017 1.835 2.246 . 0 0 "[ . 1 . 2]" 2 629 1 33 LEU HA 1 36 HIS H . . 4.440 3.564 3.399 3.787 . 0 0 "[ . 1 . 2]" 2 630 1 33 LEU HB2 1 33 LEU MD1 . . 3.660 2.287 2.109 2.492 . 0 0 "[ . 1 . 2]" 2 631 1 33 LEU HB3 1 33 LEU MD1 . . 3.660 3.181 3.156 3.196 . 0 0 "[ . 1 . 2]" 2 632 1 33 LEU MD1 1 36 HIS HD2 . . 3.550 2.861 2.507 3.232 . 0 0 "[ . 1 . 2]" 2 633 1 34 LEU H 1 34 LEU HB2 . . 3.650 3.487 3.457 3.529 . 0 0 "[ . 1 . 2]" 2 634 1 34 LEU HA 1 34 LEU HG . . 4.030 3.718 3.673 3.757 . 0 0 "[ . 1 . 2]" 2 635 1 34 LEU HA 1 34 LEU MD1 . . 3.470 3.225 3.158 3.314 . 0 0 "[ . 1 . 2]" 2 636 1 34 LEU HA 1 37 GLU H . . 4.400 3.302 2.984 3.554 . 0 0 "[ . 1 . 2]" 2 637 1 34 LEU HA 1 37 GLU HB3 . . 4.360 4.096 3.789 4.360 0.000 2 0 "[ . 1 . 2]" 2 638 1 34 LEU HA 1 37 GLU HG2 . . 4.550 4.226 3.811 4.545 . 0 0 "[ . 1 . 2]" 2 639 1 34 LEU HA 1 37 GLU HG3 . . 4.550 2.731 2.133 3.311 . 0 0 "[ . 1 . 2]" 2 640 1 34 LEU HB3 1 34 LEU MD1 . . 3.590 3.151 3.129 3.163 . 0 0 "[ . 1 . 2]" 2 641 1 34 LEU HB3 1 34 LEU MD2 . . 3.530 2.106 1.980 2.270 . 0 0 "[ . 1 . 2]" 2 642 1 34 LEU HB2 1 35 ILE H . . 4.080 3.996 3.961 4.033 . 0 0 "[ . 1 . 2]" 2 643 1 34 LEU HB3 1 35 ILE H . . 4.090 3.579 3.527 3.639 . 0 0 "[ . 1 . 2]" 2 644 1 34 LEU HB2 1 34 LEU MD1 . . 3.420 2.170 2.065 2.220 . 0 0 "[ . 1 . 2]" 2 645 1 34 LEU HG 1 35 ILE HA . . 4.630 3.424 3.334 3.575 . 0 0 "[ . 1 . 2]" 2 646 1 34 LEU HG 1 35 ILE MD . . 4.480 3.962 3.674 4.113 . 0 0 "[ . 1 . 2]" 2 647 1 34 LEU MD2 1 35 ILE H . . 4.630 3.649 3.575 3.809 . 0 0 "[ . 1 . 2]" 2 648 1 35 ILE H 1 35 ILE MG . . 3.800 3.761 3.753 3.766 . 0 0 "[ . 1 . 2]" 2 649 1 35 ILE HA 1 35 ILE MG . . 3.280 2.398 2.293 2.486 . 0 0 "[ . 1 . 2]" 2 650 1 35 ILE HA 1 35 ILE HG12 . . 3.930 2.449 2.364 2.633 . 0 0 "[ . 1 . 2]" 2 651 1 35 ILE HA 1 35 ILE HG13 . . 3.930 3.093 2.907 3.309 . 0 0 "[ . 1 . 2]" 2 652 1 35 ILE HA 1 35 ILE MD . . 4.030 3.765 3.682 3.873 . 0 0 "[ . 1 . 2]" 2 653 1 35 ILE HA 1 38 ARG QD . . 4.070 2.477 2.011 3.093 . 0 0 "[ . 1 . 2]" 2 654 1 35 ILE HB 1 35 ILE MD . . 3.450 2.453 2.361 2.566 . 0 0 "[ . 1 . 2]" 2 655 1 35 ILE HB 1 36 HIS QB . . 4.740 4.046 3.901 4.146 . 0 0 "[ . 1 . 2]" 2 656 1 35 ILE HG12 1 35 ILE MG . . 3.460 2.440 2.335 2.554 . 0 0 "[ . 1 . 2]" 2 657 1 35 ILE HG13 1 35 ILE MG . . 3.460 3.190 3.171 3.201 . 0 0 "[ . 1 . 2]" 2 658 1 35 ILE MD 1 35 ILE MG . . 2.970 1.944 1.852 2.016 . 0 0 "[ . 1 . 2]" 2 659 1 35 ILE MG 1 36 HIS H . . 3.810 3.523 3.136 3.814 0.004 8 0 "[ . 1 . 2]" 2 660 1 35 ILE MG 1 36 HIS HA . . 3.880 3.514 3.155 3.855 . 0 0 "[ . 1 . 2]" 2 661 1 36 HIS HA 1 39 THR MG . . 3.490 2.889 2.126 3.524 0.034 20 0 "[ . 1 . 2]" 2 662 1 36 HIS HD2 1 37 GLU H . . 4.710 3.535 2.825 4.334 . 0 0 "[ . 1 . 2]" 2 663 1 36 HIS HD2 1 37 GLU HA . . 4.120 3.524 2.946 4.059 . 0 0 "[ . 1 . 2]" 2 664 1 36 HIS HD2 1 40 HIS HD2 . . 4.470 3.525 3.258 3.928 . 0 0 "[ . 1 . 2]" 2 665 1 34 LEU HA 1 37 GLU HB2 . . 4.360 2.572 2.164 2.929 . 0 0 "[ . 1 . 2]" 2 666 1 37 GLU HA 1 37 GLU HG2 . . 4.020 2.396 2.279 2.531 . 0 0 "[ . 1 . 2]" 2 667 1 37 GLU HA 1 37 GLU HG3 . . 4.020 3.244 2.867 3.671 . 0 0 "[ . 1 . 2]" 2 668 1 37 GLU HA 1 40 HIS HD2 . . 3.490 2.258 2.000 2.641 . 0 0 "[ . 1 . 2]" 2 669 1 38 ARG H 1 38 ARG HB2 . . 3.870 2.838 2.427 3.622 . 0 0 "[ . 1 . 2]" 2 670 1 38 ARG HA 1 38 ARG HG2 . . 4.190 2.978 2.521 3.877 . 0 0 "[ . 1 . 2]" 2 671 1 38 ARG HA 1 38 ARG HG3 . . 4.190 3.202 2.903 3.802 . 0 0 "[ . 1 . 2]" 2 672 1 38 ARG HB2 1 38 ARG QD . . 3.740 2.407 2.149 2.961 . 0 0 "[ . 1 . 2]" 2 673 1 38 ARG HB3 1 38 ARG QD . . 3.740 2.654 2.244 3.125 . 0 0 "[ . 1 . 2]" 2 674 1 39 THR HA 1 39 THR MG . . 3.290 2.761 2.316 3.184 . 0 0 "[ . 1 . 2]" 2 675 1 41 THR HA 1 41 THR MG . . 3.270 2.558 2.169 3.206 . 0 0 "[ . 1 . 2]" 2 676 1 38 ARG HA 1 41 THR MG . . 3.400 2.586 2.065 3.356 . 0 0 "[ . 1 . 2]" 2 677 1 43 GLU HA 1 43 GLU HG2 . . 4.150 3.279 2.179 4.222 0.072 9 0 "[ . 1 . 2]" 2 678 1 43 GLU HA 1 43 GLU HG3 . . 4.150 3.502 2.427 4.222 0.072 19 0 "[ . 1 . 2]" 2 679 1 44 ARG HB2 1 44 ARG QD . . 3.810 2.805 2.143 3.458 . 0 0 "[ . 1 . 2]" 2 680 1 44 ARG HB2 1 54 ALA MB . . 3.910 3.145 2.230 3.910 0.000 4 0 "[ . 1 . 2]" 2 681 1 44 ARG HB3 1 54 ALA MB . . 3.910 3.130 2.384 3.914 0.004 15 0 "[ . 1 . 2]" 2 682 1 46 TYR QE 1 58 GLN HA . . 4.210 3.259 2.110 4.211 0.001 7 0 "[ . 1 . 2]" 2 683 1 58 GLN HA 1 61 LEU HB3 . . 4.970 2.639 2.261 3.037 . 0 0 "[ . 1 . 2]" 2 684 1 46 TYR HB2 1 61 LEU MD2 . . 4.040 3.627 2.773 3.996 . 0 0 "[ . 1 . 2]" 2 685 1 46 TYR HB3 1 61 LEU MD2 . . 4.040 2.230 1.967 2.583 . 0 0 "[ . 1 . 2]" 2 686 1 46 TYR QD 1 58 GLN HA . . 4.270 2.933 2.242 3.757 . 0 0 "[ . 1 . 2]" 2 687 1 47 THR HA 1 47 THR MG . . 3.530 2.353 2.151 3.165 . 0 0 "[ . 1 . 2]" 2 688 1 47 THR HA 1 48 CYS HB2 . . 4.880 4.279 4.228 4.347 . 0 0 "[ . 1 . 2]" 2 689 1 47 THR MG 1 52 HIS HA . . 3.830 2.262 1.966 2.698 . 0 0 "[ . 1 . 2]" 2 690 1 47 THR MG 1 52 HIS HB2 . . 4.960 3.648 2.192 4.825 . 0 0 "[ . 1 . 2]" 2 691 1 47 THR MG 1 48 CYS HB2 . . 4.810 4.229 3.869 4.644 . 0 0 "[ . 1 . 2]" 2 692 1 47 THR MG 1 52 HIS HB3 . . 4.960 3.115 2.232 4.655 . 0 0 "[ . 1 . 2]" 2 693 1 47 THR MG 1 53 LYS H . . 4.270 3.783 3.178 4.276 0.006 7 0 "[ . 1 . 2]" 2 694 1 48 CYS HA 1 61 LEU MD1 . . 3.660 2.440 1.969 2.866 . 0 0 "[ . 1 . 2]" 2 695 1 48 CYS HB2 1 61 LEU MD1 . . 4.210 3.216 2.596 3.592 . 0 0 "[ . 1 . 2]" 2 696 1 76 CYS HB2 1 89 LEU HG . . 5.500 5.085 4.344 5.468 . 0 0 "[ . 1 . 2]" 2 697 1 48 CYS HB3 1 55 PHE QE . . 4.200 4.084 3.712 4.197 . 0 0 "[ . 1 . 2]" 2 698 1 48 CYS HB2 1 64 HIS HD2 . . 4.520 4.344 3.911 4.518 . 0 0 "[ . 1 . 2]" 2 699 1 50 ILE HA 1 50 ILE MG . . 3.390 2.360 2.228 2.440 . 0 0 "[ . 1 . 2]" 2 700 1 50 ILE HA 1 50 ILE HG12 . . 3.960 2.655 2.577 2.780 . 0 0 "[ . 1 . 2]" 2 701 1 50 ILE HA 1 50 ILE HG13 . . 3.710 2.942 2.889 3.025 . 0 0 "[ . 1 . 2]" 2 702 1 50 ILE HA 1 50 ILE MD . . 4.030 3.883 3.847 3.939 . 0 0 "[ . 1 . 2]" 2 703 1 50 ILE HB 1 50 ILE MD . . 3.490 2.323 2.219 2.417 . 0 0 "[ . 1 . 2]" 2 704 1 50 ILE HB 1 68 HIS HD2 . . 4.670 3.882 3.116 4.223 . 0 0 "[ . 1 . 2]" 2 705 1 50 ILE HG12 1 50 ILE MG . . 3.750 2.265 2.163 2.375 . 0 0 "[ . 1 . 2]" 2 706 1 50 ILE HG13 1 50 ILE MG . . 3.480 3.187 3.172 3.198 . 0 0 "[ . 1 . 2]" 2 707 1 50 ILE MD 1 50 ILE MG . . 3.010 2.132 1.939 2.252 . 0 0 "[ . 1 . 2]" 2 708 1 50 ILE MD 1 68 HIS HB2 . . 4.160 3.023 2.502 3.524 . 0 0 "[ . 1 . 2]" 2 709 1 50 ILE MD 1 68 HIS HB3 . . 4.160 2.224 1.916 3.052 . 0 0 "[ . 1 . 2]" 2 710 1 50 ILE MD 1 68 HIS HD2 . . 3.900 3.185 1.913 3.723 . 0 0 "[ . 1 . 2]" 2 711 1 51 CYS H 1 51 CYS HB2 . . 4.180 3.590 3.544 3.613 . 0 0 "[ . 1 . 2]" 2 712 1 51 CYS HB2 1 68 HIS HE1 . . 4.230 3.768 3.530 4.217 . 0 0 "[ . 1 . 2]" 2 713 1 51 CYS HB3 1 68 HIS HE1 . . 4.230 2.183 2.000 2.600 . 0 0 "[ . 1 . 2]" 2 714 1 53 LYS HA 1 53 LYS HG2 . . 4.030 2.414 2.267 2.563 . 0 0 "[ . 1 . 2]" 2 715 1 53 LYS HA 1 53 LYS HG3 . . 3.570 2.814 2.624 2.964 . 0 0 "[ . 1 . 2]" 2 716 1 53 LYS HB2 1 55 PHE HZ . . 4.600 2.552 2.004 3.068 . 0 0 "[ . 1 . 2]" 2 717 1 53 LYS HB3 1 55 PHE HZ . . 4.600 3.236 2.836 3.852 . 0 0 "[ . 1 . 2]" 2 718 1 53 LYS HB2 1 55 PHE QE . . 4.230 2.609 2.192 2.912 . 0 0 "[ . 1 . 2]" 2 719 1 53 LYS HB3 1 55 PHE QE . . 4.230 3.139 2.826 3.553 . 0 0 "[ . 1 . 2]" 2 720 1 54 ALA MB 1 55 PHE QD . . 5.500 4.314 3.981 4.621 . 0 0 "[ . 1 . 2]" 2 721 1 53 LYS H 1 53 LYS HG2 . . 4.560 4.086 3.925 4.278 . 0 0 "[ . 1 . 2]" 2 722 1 53 LYS HD3 1 55 PHE HZ . . 4.620 3.485 2.720 4.420 . 0 0 "[ . 1 . 2]" 2 723 1 53 LYS HD2 1 55 PHE HZ . . 4.620 3.734 2.731 4.622 0.002 7 0 "[ . 1 . 2]" 2 724 1 53 LYS HD2 1 64 HIS HE1 . . 3.910 2.847 2.032 3.876 . 0 0 "[ . 1 . 2]" 2 725 1 53 LYS HD3 1 64 HIS HE1 . . 3.910 3.250 2.437 3.815 . 0 0 "[ . 1 . 2]" 2 726 1 55 PHE HZ 1 61 LEU HA . . 4.800 4.345 4.002 4.738 . 0 0 "[ . 1 . 2]" 2 727 1 55 PHE HZ 1 64 HIS HE1 . . 4.750 3.051 2.633 3.608 . 0 0 "[ . 1 . 2]" 2 728 1 55 PHE QE 1 61 LEU HA . . 4.490 3.606 3.176 3.935 . 0 0 "[ . 1 . 2]" 2 729 1 55 PHE QE 1 61 LEU MD1 . . 3.420 2.506 2.044 3.063 . 0 0 "[ . 1 . 2]" 2 730 1 55 PHE QE 1 64 HIS HB2 . . 4.570 3.045 2.675 3.684 . 0 0 "[ . 1 . 2]" 2 731 1 55 PHE QE 1 64 HIS HB3 . . 4.570 3.578 2.951 4.116 . 0 0 "[ . 1 . 2]" 2 732 1 55 PHE QD 1 61 LEU HA . . 4.140 3.451 3.142 3.841 . 0 0 "[ . 1 . 2]" 2 733 1 55 PHE QD 1 61 LEU MD1 . . 3.580 2.592 1.992 3.273 . 0 0 "[ . 1 . 2]" 2 734 1 27 PHE QD 1 32 ASN QB . . 3.710 2.648 2.018 3.243 . 0 0 "[ . 1 . 2]" 2 735 1 55 PHE QD 1 60 HIS HB2 . . 5.000 3.895 3.373 4.592 . 0 0 "[ . 1 . 2]" 2 736 1 55 PHE QD 1 60 HIS HB3 . . 5.000 3.307 2.584 4.057 . 0 0 "[ . 1 . 2]" 2 737 1 58 GLN HA 1 58 GLN QG . . 3.610 2.453 2.188 3.435 . 0 0 "[ . 1 . 2]" 2 738 1 58 GLN HA 1 61 LEU MD2 . . 4.360 3.281 2.708 3.797 . 0 0 "[ . 1 . 2]" 2 739 1 58 GLN HA 1 61 LEU HB2 . . 4.970 3.921 3.226 4.658 . 0 0 "[ . 1 . 2]" 2 740 1 59 ASP HA 1 62 ARG HB2 . . 4.080 3.074 2.265 4.085 0.005 9 0 "[ . 1 . 2]" 2 741 1 59 ASP HA 1 62 ARG HB3 . . 4.080 3.402 2.493 4.081 0.001 13 0 "[ . 1 . 2]" 2 742 1 60 HIS HA 1 60 HIS HD2 . . 4.830 3.165 2.154 4.398 . 0 0 "[ . 1 . 2]" 2 743 1 61 LEU HA 1 61 LEU MD1 . . 3.330 2.284 1.998 2.572 . 0 0 "[ . 1 . 2]" 2 744 1 89 LEU HA 1 89 LEU MD1 . . 3.580 2.221 2.040 2.430 . 0 0 "[ . 1 . 2]" 2 745 1 61 LEU HA 1 61 LEU MD2 . . 4.360 3.958 3.893 4.025 . 0 0 "[ . 1 . 2]" 2 746 1 89 LEU HA 1 89 LEU MD2 . . 4.680 3.929 3.877 3.995 . 0 0 "[ . 1 . 2]" 2 747 1 61 LEU MD1 1 64 HIS HD2 . . 3.420 2.944 2.340 3.366 . 0 0 "[ . 1 . 2]" 2 748 1 62 ARG H 1 62 ARG HG3 . . 4.690 3.743 2.387 4.595 . 0 0 "[ . 1 . 2]" 2 749 1 62 ARG HA 1 65 ARG QB . . 5.500 3.519 2.493 4.205 . 0 0 "[ . 1 . 2]" 2 750 1 62 ARG HG2 1 63 ASP H . . 4.820 4.220 3.154 4.827 0.007 8 0 "[ . 1 . 2]" 2 751 1 64 HIS HA 1 67 ILE MG . . 4.550 2.996 2.625 3.427 . 0 0 "[ . 1 . 2]" 2 752 1 64 HIS HD2 1 65 ARG HA . . 4.130 2.613 2.113 3.222 . 0 0 "[ . 1 . 2]" 2 753 1 64 HIS HD2 1 65 ARG QG . . 4.700 3.318 2.283 4.707 0.007 2 0 "[ . 1 . 2]" 2 754 1 64 HIS HE1 1 67 ILE MD . . 3.600 2.221 1.987 2.530 . 0 0 "[ . 1 . 2]" 2 755 1 65 ARG HA 1 65 ARG QG . . 3.940 2.433 2.155 3.438 . 0 0 "[ . 1 . 2]" 2 756 1 65 ARG HA 1 65 ARG HD3 . . 4.720 3.966 2.292 4.725 0.005 2 0 "[ . 1 . 2]" 2 757 1 65 ARG HA 1 65 ARG HD2 . . 4.720 4.067 2.455 4.762 0.042 17 0 "[ . 1 . 2]" 2 758 1 65 ARG HA 1 68 HIS HD2 . . 3.800 2.438 1.998 3.101 . 0 0 "[ . 1 . 2]" 2 759 1 65 ARG QB 1 65 ARG HD2 . . 3.890 2.630 2.085 3.291 . 0 0 "[ . 1 . 2]" 2 760 1 65 ARG QB 1 65 ARG HD3 . . 3.890 2.619 2.095 3.399 . 0 0 "[ . 1 . 2]" 2 761 1 65 ARG QG 1 68 HIS HD2 . . 4.590 3.288 2.119 4.593 0.003 6 0 "[ . 1 . 2]" 2 762 1 66 TYR H 1 67 ILE MG . . 4.650 3.918 3.534 4.182 . 0 0 "[ . 1 . 2]" 2 763 1 66 TYR HA 1 66 TYR QD . . 3.630 2.724 2.051 3.148 . 0 0 "[ . 1 . 2]" 2 764 1 67 ILE H 1 67 ILE MD . . 4.100 3.929 3.734 4.093 . 0 0 "[ . 1 . 2]" 2 765 1 67 ILE HA 1 67 ILE MG . . 3.370 2.447 2.391 2.519 . 0 0 "[ . 1 . 2]" 2 766 1 67 ILE HA 1 67 ILE HG12 . . 4.220 3.867 3.739 3.948 . 0 0 "[ . 1 . 2]" 2 767 1 67 ILE HA 1 67 ILE HG13 . . 4.220 3.575 3.531 3.640 . 0 0 "[ . 1 . 2]" 2 768 1 67 ILE HB 1 67 ILE MD . . 3.350 2.329 2.137 2.489 . 0 0 "[ . 1 . 2]" 2 769 1 67 ILE HG12 1 67 ILE MG . . 3.740 2.212 2.066 2.368 . 0 0 "[ . 1 . 2]" 2 770 1 67 ILE HG13 1 67 ILE MG . . 3.740 3.163 3.130 3.187 . 0 0 "[ . 1 . 2]" 2 771 1 67 ILE MD 1 67 ILE MG . . 3.090 2.201 1.910 2.477 . 0 0 "[ . 1 . 2]" 2 772 1 71 GLU HA 1 71 GLU HG2 . . 4.250 3.003 2.159 4.245 . 0 0 "[ . 1 . 2]" 2 773 1 71 GLU HA 1 71 GLU HG3 . . 4.250 3.002 2.203 3.860 . 0 0 "[ . 1 . 2]" 2 774 1 72 LYS HA 1 73 PRO HD2 . . 4.050 2.143 1.913 2.449 . 0 0 "[ . 1 . 2]" 2 775 1 72 LYS HA 1 73 PRO HD3 . . 4.050 2.308 2.255 2.502 . 0 0 "[ . 1 . 2]" 2 776 1 48 CYS HB3 1 49 ASP H . . 4.420 2.903 2.764 3.852 . 0 0 "[ . 1 . 2]" 2 777 1 76 CYS HA 1 89 LEU MD1 . . 3.680 3.023 2.031 3.674 . 0 0 "[ . 1 . 2]" 2 778 1 76 CYS HB2 1 89 LEU MD1 . . 3.360 2.649 2.384 2.904 . 0 0 "[ . 1 . 2]" 2 779 1 76 CYS HB3 1 89 LEU MD1 . . 3.980 3.860 3.395 3.982 0.002 20 0 "[ . 1 . 2]" 2 780 1 76 CYS HB2 1 92 HIS HD2 . . 4.010 2.850 2.075 3.846 . 0 0 "[ . 1 . 2]" 2 781 1 76 CYS HB3 1 92 HIS HD2 . . 4.520 4.206 3.407 4.519 . 0 0 "[ . 1 . 2]" 2 782 1 77 GLN HA 1 77 GLN QG . . 3.850 2.646 2.219 3.428 . 0 0 "[ . 1 . 2]" 2 783 1 78 GLU HA 1 78 GLU HG2 . . 4.120 2.799 2.250 3.579 . 0 0 "[ . 1 . 2]" 2 784 1 78 GLU HA 1 78 GLU HG3 . . 4.120 3.448 2.216 3.736 . 0 0 "[ . 1 . 2]" 2 785 1 79 CYS HA 1 96 HIS HE1 . . 4.670 4.341 3.832 4.671 0.001 20 0 "[ . 1 . 2]" 2 786 1 79 CYS HB2 1 96 HIS HE1 . . 4.420 4.217 3.813 4.422 0.002 15 0 "[ . 1 . 2]" 2 787 1 79 CYS HB3 1 96 HIS HE1 . . 4.420 2.504 2.066 2.728 . 0 0 "[ . 1 . 2]" 2 788 1 33 LEU HG 1 34 LEU HA . . 4.100 3.383 3.032 3.713 . 0 0 "[ . 1 . 2]" 2 789 1 53 LYS QE 1 53 LYS HG2 . . 3.750 2.535 2.175 2.944 . 0 0 "[ . 1 . 2]" 2 790 1 27 PHE HZ 1 36 HIS HD2 . . 4.510 2.529 2.271 2.934 . 0 0 "[ . 1 . 2]" 2 791 1 83 PHE HZ 1 92 HIS HD2 . . 4.330 3.521 2.166 4.326 . 0 0 "[ . 1 . 2]" 2 792 1 83 PHE HZ 1 92 HIS HE1 . . 4.980 3.604 2.538 4.980 0.000 2 0 "[ . 1 . 2]" 2 793 1 83 PHE QD 1 89 LEU HA . . 4.250 3.633 2.397 4.153 . 0 0 "[ . 1 . 2]" 2 794 1 87 ARG HA 1 87 ARG QG . . 3.910 2.542 2.167 3.452 . 0 0 "[ . 1 . 2]" 2 795 1 87 ARG HA 1 87 ARG HD2 . . 4.740 3.817 2.041 4.784 0.044 13 0 "[ . 1 . 2]" 2 796 1 87 ARG HA 1 87 ARG HD3 . . 4.740 3.908 2.025 4.703 . 0 0 "[ . 1 . 2]" 2 797 1 59 ASP HA 1 62 ARG QD . . 5.090 3.959 2.947 5.084 . 0 0 "[ . 1 . 2]" 2 798 1 87 ARG HA 1 90 ALA MB . . 3.360 2.963 2.284 3.349 . 0 0 "[ . 1 . 2]" 2 799 1 88 THR HA 1 88 THR MG . . 3.530 2.544 2.132 3.205 . 0 0 "[ . 1 . 2]" 2 800 1 88 THR HA 1 91 VAL HB . . 4.250 3.355 2.760 4.140 . 0 0 "[ . 1 . 2]" 2 801 1 88 THR MG 1 89 LEU H . . 4.780 3.148 1.881 4.026 . 0 0 "[ . 1 . 2]" 2 802 1 89 LEU HA 1 89 LEU HG . . 4.230 3.173 2.927 3.373 . 0 0 "[ . 1 . 2]" 2 803 1 61 LEU HA 1 64 HIS H . . 4.440 3.580 3.239 3.920 . 0 0 "[ . 1 . 2]" 2 804 1 89 LEU HA 1 92 HIS H . . 4.840 3.543 3.189 3.909 . 0 0 "[ . 1 . 2]" 2 805 1 89 LEU MD1 1 93 LYS HE2 . . 4.950 3.871 2.356 4.934 . 0 0 "[ . 1 . 2]" 2 806 1 89 LEU MD1 1 93 LYS HE3 . . 4.950 3.724 2.179 4.925 . 0 0 "[ . 1 . 2]" 2 807 1 89 LEU MD1 1 92 HIS HD2 . . 3.580 2.799 2.208 3.333 . 0 0 "[ . 1 . 2]" 2 808 1 90 ALA HA 1 93 LYS QB . . 3.940 3.243 2.358 3.968 0.028 18 0 "[ . 1 . 2]" 2 809 1 90 ALA MB 1 91 VAL HA . . 4.570 3.734 3.571 3.862 . 0 0 "[ . 1 . 2]" 2 810 1 91 VAL HA 1 91 VAL MG1 . . 3.430 2.562 2.299 3.200 . 0 0 "[ . 1 . 2]" 2 811 1 91 VAL HA 1 91 VAL MG2 . . 3.430 2.380 2.272 2.548 . 0 0 "[ . 1 . 2]" 2 812 1 91 VAL HA 1 94 THR MG . . 3.730 2.827 2.027 3.484 . 0 0 "[ . 1 . 2]" 2 813 1 91 VAL HB 1 92 HIS H . . 4.130 2.955 2.283 4.064 . 0 0 "[ . 1 . 2]" 2 814 1 91 VAL MG1 1 92 HIS HA . . 5.500 3.553 3.146 3.891 . 0 0 "[ . 1 . 2]" 2 815 1 92 HIS HA 1 95 LEU H . . 4.780 3.400 3.005 3.757 . 0 0 "[ . 1 . 2]" 2 816 1 92 HIS HA 1 95 LEU HG . . 4.400 3.588 2.476 4.421 0.021 11 0 "[ . 1 . 2]" 2 817 1 92 HIS HD2 1 93 LYS HA . . 4.150 3.370 2.535 4.150 . 0 0 "[ . 1 . 2]" 2 818 1 92 HIS HD2 1 96 HIS HD2 . . 4.200 3.438 2.614 3.953 . 0 0 "[ . 1 . 2]" 2 819 1 93 LYS HA 1 93 LYS HG2 . . 4.030 2.659 2.169 3.635 . 0 0 "[ . 1 . 2]" 2 820 1 93 LYS HA 1 93 LYS HG3 . . 4.030 3.248 2.377 3.748 . 0 0 "[ . 1 . 2]" 2 821 1 93 LYS HA 1 93 LYS HD2 . . 4.420 3.516 2.390 4.428 0.008 14 0 "[ . 1 . 2]" 2 822 1 93 LYS HA 1 93 LYS HD3 . . 4.420 3.566 2.123 4.456 0.036 12 0 "[ . 1 . 2]" 2 823 1 93 LYS HA 1 96 HIS HD2 . . 3.700 2.794 2.129 3.636 . 0 0 "[ . 1 . 2]" 2 824 1 93 LYS QB 1 93 LYS HD3 . . 3.400 2.915 2.217 3.404 0.004 3 0 "[ . 1 . 2]" 2 825 1 93 LYS QB 1 93 LYS HD2 . . 3.400 2.400 2.078 3.341 . 0 0 "[ . 1 . 2]" 2 826 1 93 LYS QB 1 93 LYS HE3 . . 4.580 3.465 2.134 4.128 . 0 0 "[ . 1 . 2]" 2 827 1 93 LYS QB 1 93 LYS HE2 . . 4.580 3.780 2.294 4.413 . 0 0 "[ . 1 . 2]" 2 828 1 94 THR HA 1 94 THR MG . . 3.310 2.349 2.209 2.497 . 0 0 "[ . 1 . 2]" 2 829 1 94 THR HB 1 95 LEU HA . . 4.710 4.434 4.196 4.693 . 0 0 "[ . 1 . 2]" 2 830 1 95 LEU HA 1 95 LEU HG . . 4.070 2.997 2.269 3.758 . 0 0 "[ . 1 . 2]" 2 831 1 101 SER HA 1 102 PRO HD2 . . 3.820 2.287 1.912 3.795 . 0 0 "[ . 1 . 2]" 2 832 1 101 SER HA 1 102 PRO HD3 . . 3.820 2.528 2.251 4.025 0.205 14 0 "[ . 1 . 2]" 2 833 1 19 ILE MG 1 21 LYS HA . . 5.130 4.459 4.256 4.618 . 0 0 "[ . 1 . 2]" 2 834 1 19 ILE MG 1 25 ARG HA . . 5.300 3.428 3.119 4.004 . 0 0 "[ . 1 . 2]" 2 835 1 19 ILE MG 1 26 HIS HA . . 4.620 3.021 2.680 3.491 . 0 0 "[ . 1 . 2]" 2 836 1 19 ILE MG 1 26 HIS HD2 . . 4.310 3.497 2.081 4.274 . 0 0 "[ . 1 . 2]" 2 837 1 64 HIS HE1 1 67 ILE MG . . 4.180 3.906 3.346 4.181 0.001 2 0 "[ . 1 . 2]" 2 838 1 19 ILE MD 1 26 HIS HD2 . . 5.070 4.381 3.108 4.968 . 0 0 "[ . 1 . 2]" 2 839 1 32 ASN HA 1 35 ILE MD . . 3.840 2.538 2.112 2.966 . 0 0 "[ . 1 . 2]" 2 840 1 35 ILE MD 1 38 ARG QD . . 4.970 4.672 4.023 4.980 0.010 20 0 "[ . 1 . 2]" 2 841 1 31 TYR QD 1 35 ILE MD . . 3.920 2.089 1.902 2.427 . 0 0 "[ . 1 . 2]" 2 842 1 36 HIS HD2 1 37 GLU HG3 . . 4.570 3.877 3.167 4.537 . 0 0 "[ . 1 . 2]" 2 843 1 36 HIS HD2 1 37 GLU HG2 . . 4.570 3.420 2.675 4.266 . 0 0 "[ . 1 . 2]" 2 844 1 33 LEU MD1 1 37 GLU HG3 . . 4.000 2.948 2.374 3.655 . 0 0 "[ . 1 . 2]" 2 845 1 33 LEU MD1 1 37 GLU HG2 . . 4.000 3.226 2.138 3.964 . 0 0 "[ . 1 . 2]" 2 846 1 94 THR HA 1 97 MET ME . . 5.500 3.569 2.018 5.141 . 0 0 "[ . 1 . 2]" 2 847 1 88 THR HA 1 91 VAL MG1 . . 4.760 4.014 1.918 4.742 . 0 0 "[ . 1 . 2]" 2 848 1 88 THR HA 1 91 VAL MG2 . . 4.760 3.409 2.672 4.684 . 0 0 "[ . 1 . 2]" 2 849 1 46 TYR QE 1 58 GLN QG . . 3.950 2.693 1.934 3.715 . 0 0 "[ . 1 . 2]" 2 850 1 31 TYR QE 1 35 ILE MG . . 4.180 4.109 3.901 4.193 0.013 19 0 "[ . 1 . 2]" 2 851 1 67 ILE HA 1 67 ILE MD . . 4.210 4.122 4.070 4.172 . 0 0 "[ . 1 . 2]" 2 852 1 46 TYR QD 1 58 GLN QG . . 4.380 3.366 2.502 4.309 . 0 0 "[ . 1 . 2]" 2 853 1 91 VAL MG2 1 92 HIS HA . . 5.500 5.089 3.654 5.454 . 0 0 "[ . 1 . 2]" 2 854 1 32 ASN HA 1 35 ILE MG . . 4.320 4.101 3.958 4.236 . 0 0 "[ . 1 . 2]" 2 855 1 46 TYR QD 1 61 LEU MD2 . . 3.700 2.700 2.067 3.672 . 0 0 "[ . 1 . 2]" 2 856 1 55 PHE QD 1 61 LEU MD2 . . 4.320 3.316 2.636 3.800 . 0 0 "[ . 1 . 2]" 2 857 1 46 TYR H 1 61 LEU MD2 . . 4.890 4.749 4.352 4.930 0.040 15 0 "[ . 1 . 2]" 2 858 1 45 PRO HG2 1 46 TYR QD . . 4.580 2.664 2.013 3.137 . 0 0 "[ . 1 . 2]" 2 859 1 45 PRO HG3 1 46 TYR QD . . 4.580 4.127 3.566 4.535 . 0 0 "[ . 1 . 2]" 2 860 1 95 LEU H 1 95 LEU MD1 . . 4.580 3.520 1.869 4.241 . 0 0 "[ . 1 . 2]" 2 861 1 31 TYR QD 1 34 LEU MD1 . . 4.580 4.159 3.882 4.518 . 0 0 "[ . 1 . 2]" 2 862 1 34 LEU H 1 34 LEU MD1 . . 4.340 4.094 4.000 4.179 . 0 0 "[ . 1 . 2]" 2 863 1 83 PHE QD 1 88 THR MG . . 3.880 2.852 2.121 3.848 . 0 0 "[ . 1 . 2]" 2 864 1 83 PHE QD 1 89 LEU MD1 . . 3.730 2.569 1.933 3.725 . 0 0 "[ . 1 . 2]" 2 865 1 47 THR HA 1 55 PHE QD . . 4.300 3.688 2.838 4.125 . 0 0 "[ . 1 . 2]" 2 866 1 44 ARG QD 1 54 ALA MB . . 4.050 3.019 1.956 3.894 . 0 0 "[ . 1 . 2]" 2 867 1 53 LYS HA 1 54 ALA MB . . 3.980 3.884 3.834 3.957 . 0 0 "[ . 1 . 2]" 2 868 1 18 PHE QD 1 33 LEU MD2 . . 3.750 3.082 1.964 3.435 . 0 0 "[ . 1 . 2]" 2 869 1 74 PHE QD 1 89 LEU MD2 . . 4.220 3.180 1.871 4.129 . 0 0 "[ . 1 . 2]" 2 870 1 18 PHE QE 1 33 LEU MD2 . . 4.980 4.617 3.393 4.942 . 0 0 "[ . 1 . 2]" 2 871 1 38 ARG H 1 41 THR MG . . 4.780 4.548 4.018 4.778 . 0 0 "[ . 1 . 2]" 2 872 1 83 PHE QE 1 89 LEU MD1 . . 4.000 2.896 1.957 3.559 . 0 0 "[ . 1 . 2]" 2 873 1 10 LEU HA 1 10 LEU QD . . 4.010 2.648 2.031 3.411 . 0 0 "[ . 1 . 2]" 2 874 1 10 LEU HA 1 11 PRO QD . . 3.080 1.984 1.851 2.304 . 0 0 "[ . 1 . 2]" 2 875 1 10 LEU QB 1 11 PRO QD . . 3.590 2.670 2.013 3.771 0.181 6 0 "[ . 1 . 2]" 2 876 1 10 LEU QD 1 11 PRO QD . . 4.400 2.840 1.971 4.004 . 0 0 "[ . 1 . 2]" 2 877 1 17 GLU H 1 17 GLU QB . . 3.370 2.767 2.190 3.260 . 0 0 "[ . 1 . 2]" 2 878 1 17 GLU H 1 17 GLU QG . . 3.850 2.856 2.042 3.868 0.018 3 0 "[ . 1 . 2]" 2 879 1 17 GLU HA 1 17 GLU QG . . 3.600 2.936 2.301 3.408 . 0 0 "[ . 1 . 2]" 2 880 1 17 GLU QB 1 18 PHE H . . 3.450 2.342 2.068 3.117 . 0 0 "[ . 1 . 2]" 2 881 1 17 GLU QG 1 18 PHE H . . 4.190 3.537 1.882 4.184 . 0 0 "[ . 1 . 2]" 2 882 1 18 PHE QB 1 19 ILE H . . 3.610 2.528 2.034 3.039 . 0 0 "[ . 1 . 2]" 2 883 1 18 PHE QB 1 19 ILE HG13 . . 5.340 4.523 4.271 4.701 . 0 0 "[ . 1 . 2]" 2 884 1 18 PHE QB 1 33 LEU QB . . 4.020 3.318 3.012 4.030 0.010 15 0 "[ . 1 . 2]" 2 885 1 19 ILE MG 1 24 GLY QA . . 3.190 2.285 2.108 2.495 . 0 0 "[ . 1 . 2]" 2 886 1 20 CYS HB3 1 25 ARG QB . . 4.720 3.336 3.051 3.526 . 0 0 "[ . 1 . 2]" 2 887 1 21 LYS H 1 21 LYS QG . . 3.300 2.144 1.929 2.725 . 0 0 "[ . 1 . 2]" 2 888 1 21 LYS QG 1 22 PHE QE . . 4.670 3.147 2.674 3.495 . 0 0 "[ . 1 . 2]" 2 889 1 22 PHE H 1 22 PHE QB . . 3.140 2.471 2.384 2.571 . 0 0 "[ . 1 . 2]" 2 890 1 22 PHE QB 1 23 CYS H . . 3.260 2.331 2.244 2.488 . 0 0 "[ . 1 . 2]" 2 891 1 23 CYS H 1 23 CYS QB . . 3.680 2.818 2.757 2.919 . 0 0 "[ . 1 . 2]" 2 892 1 23 CYS H 1 24 GLY QA . . 4.110 3.974 3.774 4.030 . 0 0 "[ . 1 . 2]" 2 893 1 23 CYS QB 1 40 HIS HE1 . . 3.420 2.290 1.994 2.468 . 0 0 "[ . 1 . 2]" 2 894 1 25 ARG H 1 25 ARG QB . . 2.960 2.373 2.135 2.684 . 0 0 "[ . 1 . 2]" 2 895 1 25 ARG H 1 25 ARG QG . . 4.030 3.939 3.005 4.085 0.055 11 0 "[ . 1 . 2]" 2 896 1 25 ARG HA 1 25 ARG QD . . 4.360 3.779 2.046 4.335 . 0 0 "[ . 1 . 2]" 2 897 1 25 ARG QB 1 25 ARG QD . . 3.140 2.253 2.089 2.714 . 0 0 "[ . 1 . 2]" 2 898 1 25 ARG QB 1 26 HIS H . . 3.590 3.390 2.261 3.616 0.026 11 0 "[ . 1 . 2]" 2 899 1 25 ARG QB 1 27 PHE QE . . 3.840 2.208 1.995 2.564 . 0 0 "[ . 1 . 2]" 2 900 1 25 ARG QB 1 27 PHE HZ . . 4.750 2.801 2.282 3.381 . 0 0 "[ . 1 . 2]" 2 901 1 25 ARG QD 1 27 PHE QE . . 4.590 3.470 2.720 4.538 . 0 0 "[ . 1 . 2]" 2 902 1 25 ARG QD 1 27 PHE HZ . . 4.520 3.154 2.031 4.525 0.005 15 0 "[ . 1 . 2]" 2 903 1 26 HIS H 1 26 HIS QB . . 3.230 2.570 2.411 2.643 . 0 0 "[ . 1 . 2]" 2 904 1 26 HIS QB 1 27 PHE H . . 3.280 2.784 2.443 2.918 . 0 0 "[ . 1 . 2]" 2 905 1 27 PHE H 1 27 PHE QB . . 3.450 2.707 2.569 2.941 . 0 0 "[ . 1 . 2]" 2 906 1 27 PHE QB 1 29 LYS H . . 3.520 2.983 2.394 3.332 . 0 0 "[ . 1 . 2]" 2 907 1 27 PHE QB 1 33 LEU HA . . 3.770 3.441 3.121 3.662 . 0 0 "[ . 1 . 2]" 2 908 1 27 PHE QB 1 33 LEU MD1 . . 4.270 3.239 2.684 3.459 . 0 0 "[ . 1 . 2]" 2 909 1 27 PHE QB 1 33 LEU MD2 . . 4.830 3.773 3.242 4.170 . 0 0 "[ . 1 . 2]" 2 910 1 27 PHE QD 1 33 LEU QB . . 4.090 3.303 2.884 3.599 . 0 0 "[ . 1 . 2]" 2 911 1 30 SER HA 1 33 LEU QB . . 3.760 3.042 2.629 3.416 . 0 0 "[ . 1 . 2]" 2 912 1 31 TYR QB 1 32 ASN H . . 3.450 2.532 2.216 3.339 . 0 0 "[ . 1 . 2]" 2 913 1 31 TYR QD 1 35 ILE QG . . 3.960 2.169 1.981 2.482 . 0 0 "[ . 1 . 2]" 2 914 1 32 ASN H 1 32 ASN QD . . 4.980 4.159 2.021 4.579 . 0 0 "[ . 1 . 2]" 2 915 1 32 ASN HA 1 35 ILE QG . . 4.070 2.953 2.409 3.392 . 0 0 "[ . 1 . 2]" 2 916 1 33 LEU QB 1 33 LEU MD1 . . 3.170 2.236 2.079 2.408 . 0 0 "[ . 1 . 2]" 2 917 1 33 LEU QB 1 34 LEU H . . 3.370 2.430 2.194 2.667 . 0 0 "[ . 1 . 2]" 2 918 1 33 LEU HG 1 37 GLU QG . . 4.540 2.675 2.047 3.606 . 0 0 "[ . 1 . 2]" 2 919 1 34 LEU H 1 37 GLU QG . . 5.340 4.352 3.706 5.003 . 0 0 "[ . 1 . 2]" 2 920 1 34 LEU HA 1 37 GLU QB . . 3.700 2.545 2.153 2.885 . 0 0 "[ . 1 . 2]" 2 921 1 34 LEU HG 1 35 ILE QG . . 3.870 2.316 2.058 2.487 . 0 0 "[ . 1 . 2]" 2 922 1 35 ILE HA 1 38 ARG QG . . 4.070 2.901 2.053 3.836 . 0 0 "[ . 1 . 2]" 2 923 1 35 ILE QG 1 35 ILE MG . . 3.020 2.366 2.280 2.455 . 0 0 "[ . 1 . 2]" 2 924 1 35 ILE QG 1 36 HIS H . . 4.290 4.048 3.916 4.170 . 0 0 "[ . 1 . 2]" 2 925 1 36 HIS HD2 1 37 GLU QG . . 3.990 3.134 2.593 3.648 . 0 0 "[ . 1 . 2]" 2 926 1 37 GLU H 1 37 GLU QB . . 3.220 2.419 2.285 2.576 . 0 0 "[ . 1 . 2]" 2 927 1 37 GLU H 1 37 GLU QG . . 3.190 2.363 2.070 2.600 . 0 0 "[ . 1 . 2]" 2 928 1 37 GLU H 1 38 ARG QG . . 4.570 4.160 3.733 4.463 . 0 0 "[ . 1 . 2]" 2 929 1 37 GLU HA 1 37 GLU QG . . 3.470 2.331 2.235 2.488 . 0 0 "[ . 1 . 2]" 2 930 1 37 GLU QB 1 38 ARG H . . 3.470 2.881 2.575 3.032 . 0 0 "[ . 1 . 2]" 2 931 1 38 ARG H 1 38 ARG QB . . 3.190 2.462 2.362 2.593 . 0 0 "[ . 1 . 2]" 2 932 1 38 ARG H 1 38 ARG QG . . 2.860 2.163 1.908 2.343 . 0 0 "[ . 1 . 2]" 2 933 1 38 ARG HA 1 38 ARG QG . . 3.460 2.725 2.397 3.344 . 0 0 "[ . 1 . 2]" 2 934 1 38 ARG QB 1 39 THR H . . 3.650 2.841 2.283 3.656 0.006 11 0 "[ . 1 . 2]" 2 935 1 40 HIS H 1 40 HIS QB . . 3.110 2.297 2.192 2.447 . 0 0 "[ . 1 . 2]" 2 936 1 40 HIS QB 1 41 THR H . . 4.270 2.708 1.967 3.911 . 0 0 "[ . 1 . 2]" 2 937 1 42 ASP H 1 42 ASP QB . . 3.640 2.514 2.197 2.906 . 0 0 "[ . 1 . 2]" 2 938 1 42 ASP QB 1 43 GLU H . . 3.850 3.452 1.955 3.886 0.036 3 0 "[ . 1 . 2]" 2 939 1 43 GLU HA 1 43 GLU QG . . 3.620 2.914 2.143 3.431 . 0 0 "[ . 1 . 2]" 2 940 1 44 ARG H 1 44 ARG QG . . 4.190 2.846 1.889 4.109 . 0 0 "[ . 1 . 2]" 2 941 1 44 ARG H 1 45 PRO QD . . 4.670 3.751 2.279 4.315 . 0 0 "[ . 1 . 2]" 2 942 1 44 ARG HA 1 45 PRO QG . . 4.650 3.824 3.767 4.179 . 0 0 "[ . 1 . 2]" 2 943 1 44 ARG QB 1 44 ARG QD . . 3.290 2.228 2.011 2.598 . 0 0 "[ . 1 . 2]" 2 944 1 44 ARG QB 1 54 ALA MB . . 3.410 2.712 2.167 3.319 . 0 0 "[ . 1 . 2]" 2 945 1 45 PRO QG 1 46 TYR H . . 3.770 2.345 1.878 2.987 . 0 0 "[ . 1 . 2]" 2 946 1 45 PRO QG 1 46 TYR QD . . 4.010 2.631 2.002 3.082 . 0 0 "[ . 1 . 2]" 2 947 1 45 PRO QG 1 46 TYR QE . . 4.170 2.796 2.290 3.464 . 0 0 "[ . 1 . 2]" 2 948 1 45 PRO QD 1 46 TYR H . . 3.670 2.710 2.635 2.777 . 0 0 "[ . 1 . 2]" 2 949 1 46 TYR QB 1 47 THR H . . 3.870 3.689 3.388 3.905 0.035 2 0 "[ . 1 . 2]" 2 950 1 46 TYR QB 1 55 PHE H . . 3.830 2.333 1.859 3.080 . 0 0 "[ . 1 . 2]" 2 951 1 46 TYR QB 1 61 LEU QB . . 4.170 3.071 2.712 3.481 . 0 0 "[ . 1 . 2]" 2 952 1 46 TYR QB 1 61 LEU MD2 . . 3.510 2.209 1.947 2.553 . 0 0 "[ . 1 . 2]" 2 953 1 46 TYR QE 1 58 GLN QB . . 4.220 3.073 1.989 4.208 . 0 0 "[ . 1 . 2]" 2 954 1 47 THR MG 1 52 HIS QB . . 4.240 2.799 2.144 3.866 . 0 0 "[ . 1 . 2]" 2 955 1 48 CYS H 1 53 LYS QB . . 4.220 3.862 3.533 4.171 . 0 0 "[ . 1 . 2]" 2 956 1 48 CYS HB2 1 53 LYS QB . . 4.780 2.928 2.513 3.572 . 0 0 "[ . 1 . 2]" 2 957 1 48 CYS HB3 1 53 LYS QB . . 4.560 3.929 3.595 4.405 . 0 0 "[ . 1 . 2]" 2 958 1 50 ILE MD 1 68 HIS QB . . 3.600 2.159 1.873 2.720 . 0 0 "[ . 1 . 2]" 2 959 1 51 CYS H 1 51 CYS QB . . 3.660 2.428 2.255 2.889 . 0 0 "[ . 1 . 2]" 2 960 1 51 CYS QB 1 53 LYS H . . 4.680 3.892 3.551 4.148 . 0 0 "[ . 1 . 2]" 2 961 1 51 CYS QB 1 68 HIS HE1 . . 3.720 2.169 1.991 2.577 . 0 0 "[ . 1 . 2]" 2 962 1 52 HIS H 1 52 HIS QB . . 3.640 2.986 2.730 3.167 . 0 0 "[ . 1 . 2]" 2 963 1 52 HIS QB 1 53 LYS H . . 4.380 3.931 3.866 4.051 . 0 0 "[ . 1 . 2]" 2 964 1 53 LYS H 1 53 LYS QB . . 3.210 2.207 2.158 2.353 . 0 0 "[ . 1 . 2]" 2 965 1 53 LYS QB 1 53 LYS QD . . 3.120 2.145 2.089 2.248 . 0 0 "[ . 1 . 2]" 2 966 1 53 LYS QB 1 54 ALA H . . 3.540 2.396 1.954 3.128 . 0 0 "[ . 1 . 2]" 2 967 1 53 LYS QB 1 55 PHE QD . . 5.220 3.877 3.730 4.009 . 0 0 "[ . 1 . 2]" 2 968 1 53 LYS QB 1 55 PHE HZ . . 3.970 2.455 1.972 2.927 . 0 0 "[ . 1 . 2]" 2 969 1 53 LYS QB 1 64 HIS HE1 . . 4.680 3.853 3.441 4.175 . 0 0 "[ . 1 . 2]" 2 970 1 53 LYS QD 1 55 PHE QE . . 4.150 3.663 3.228 4.032 . 0 0 "[ . 1 . 2]" 2 971 1 53 LYS QD 1 55 PHE HZ . . 3.860 2.991 2.648 3.548 . 0 0 "[ . 1 . 2]" 2 972 1 55 PHE QB 1 57 ARG H . . 3.670 3.195 2.634 3.687 0.017 13 0 "[ . 1 . 2]" 2 973 1 55 PHE QB 1 61 LEU H . . 4.060 3.619 3.072 4.066 0.006 9 0 "[ . 1 . 2]" 2 974 1 55 PHE QB 1 61 LEU HA . . 4.590 3.736 3.254 4.293 . 0 0 "[ . 1 . 2]" 2 975 1 55 PHE QB 1 61 LEU QB . . 5.020 2.376 1.955 2.921 . 0 0 "[ . 1 . 2]" 2 976 1 55 PHE QB 1 61 LEU MD2 . . 4.540 3.414 3.014 4.013 . 0 0 "[ . 1 . 2]" 2 977 1 55 PHE QD 1 60 HIS QB . . 4.200 3.085 2.551 3.654 . 0 0 "[ . 1 . 2]" 2 978 1 55 PHE QD 1 61 LEU QB . . 5.340 2.980 1.995 3.593 . 0 0 "[ . 1 . 2]" 2 979 1 55 PHE QE 1 64 HIS QB . . 3.900 2.881 2.505 3.438 . 0 0 "[ . 1 . 2]" 2 980 1 55 PHE HZ 1 64 HIS QB . . 4.600 3.816 3.426 4.236 . 0 0 "[ . 1 . 2]" 2 981 1 56 ARG QB 1 56 ARG QD . . 3.420 2.212 2.020 2.383 . 0 0 "[ . 1 . 2]" 2 982 1 56 ARG QG 1 57 ARG QG . . 4.370 3.007 2.019 4.350 . 0 0 "[ . 1 . 2]" 2 983 1 57 ARG H 1 60 HIS QB . . 3.880 3.298 2.965 3.833 . 0 0 "[ . 1 . 2]" 2 984 1 57 ARG QB 1 57 ARG QD . . 3.300 2.216 1.999 2.598 . 0 0 "[ . 1 . 2]" 2 985 1 57 ARG QB 1 60 HIS H . . 3.420 2.720 2.442 2.945 . 0 0 "[ . 1 . 2]" 2 986 1 57 ARG QB 1 60 HIS QB . . 5.180 2.688 1.966 3.504 . 0 0 "[ . 1 . 2]" 2 987 1 57 ARG QG 1 60 HIS H . . 5.280 4.739 4.321 5.088 . 0 0 "[ . 1 . 2]" 2 988 1 57 ARG QG 1 60 HIS HE1 . . 4.770 3.531 2.197 4.688 . 0 0 "[ . 1 . 2]" 2 989 1 57 ARG QD 1 60 HIS HE1 . . 4.390 3.414 2.099 4.399 0.009 13 0 "[ . 1 . 2]" 2 990 1 58 GLN HA 1 61 LEU QB . . 4.180 2.599 2.240 3.000 . 0 0 "[ . 1 . 2]" 2 991 1 59 ASP HA 1 62 ARG QB . . 3.560 2.639 2.249 3.076 . 0 0 "[ . 1 . 2]" 2 992 1 60 HIS QB 1 61 LEU H . . 3.900 2.604 2.359 2.910 . 0 0 "[ . 1 . 2]" 2 993 1 61 LEU H 1 61 LEU QB . . 3.290 2.166 2.103 2.214 . 0 0 "[ . 1 . 2]" 2 994 1 61 LEU HA 1 64 HIS QB . . 4.300 2.248 1.974 2.813 . 0 0 "[ . 1 . 2]" 2 995 1 61 LEU QB 1 61 LEU MD1 . . 3.220 2.288 2.158 2.377 . 0 0 "[ . 1 . 2]" 2 996 1 61 LEU QB 1 62 ARG H . . 4.030 2.715 2.399 3.084 . 0 0 "[ . 1 . 2]" 2 997 1 62 ARG H 1 62 ARG QB . . 3.020 2.233 2.122 2.392 . 0 0 "[ . 1 . 2]" 2 998 1 62 ARG HA 1 62 ARG QG . . 3.670 2.396 2.167 3.439 . 0 0 "[ . 1 . 2]" 2 999 1 62 ARG QB 1 63 ASP H . . 3.420 2.305 2.049 3.396 . 0 0 "[ . 1 . 2]" 2 1000 1 62 ARG QG 1 63 ASP H . . 4.050 3.742 1.877 4.111 0.061 4 0 "[ . 1 . 2]" 2 1001 1 63 ASP H 1 63 ASP QB . . 3.180 2.276 2.134 2.572 . 0 0 "[ . 1 . 2]" 2 1002 1 63 ASP QB 1 64 HIS H . . 3.780 3.003 2.494 3.727 . 0 0 "[ . 1 . 2]" 2 1003 1 64 HIS H 1 64 HIS QB . . 2.970 2.160 2.128 2.228 . 0 0 "[ . 1 . 2]" 2 1004 1 64 HIS QB 1 65 ARG H . . 3.480 2.754 2.488 2.968 . 0 0 "[ . 1 . 2]" 2 1005 1 65 ARG H 1 65 ARG QD . . 4.810 4.169 3.414 4.528 . 0 0 "[ . 1 . 2]" 2 1006 1 65 ARG HA 1 65 ARG QD . . 4.120 3.502 2.255 4.209 0.089 2 0 "[ . 1 . 2]" 2 1007 1 65 ARG QB 1 65 ARG QD . . 3.400 2.167 2.046 2.439 . 0 0 "[ . 1 . 2]" 2 1008 1 66 TYR H 1 67 ILE QG . . 5.340 4.208 4.109 4.446 . 0 0 "[ . 1 . 2]" 2 1009 1 67 ILE H 1 67 ILE QG . . 3.470 2.464 2.227 2.620 . 0 0 "[ . 1 . 2]" 2 1010 1 67 ILE HA 1 67 ILE QG . . 3.570 3.296 3.268 3.306 . 0 0 "[ . 1 . 2]" 2 1011 1 67 ILE QG 1 67 ILE MG . . 3.210 2.171 2.039 2.308 . 0 0 "[ . 1 . 2]" 2 1012 1 67 ILE QG 1 68 HIS H . . 3.920 2.222 1.840 2.397 . 0 0 "[ . 1 . 2]" 2 1013 1 67 ILE QG 1 68 HIS HD2 . . 4.680 3.525 2.934 3.889 . 0 0 "[ . 1 . 2]" 2 1014 1 68 HIS H 1 68 HIS QB . . 3.280 2.477 2.380 2.574 . 0 0 "[ . 1 . 2]" 2 1015 1 71 GLU H 1 71 GLU QB . . 3.480 2.479 2.133 3.311 . 0 0 "[ . 1 . 2]" 2 1016 1 71 GLU H 1 71 GLU QG . . 4.460 3.476 1.907 4.216 . 0 0 "[ . 1 . 2]" 2 1017 1 71 GLU HA 1 71 GLU QG . . 3.720 2.578 2.123 3.475 . 0 0 "[ . 1 . 2]" 2 1018 1 72 LYS QB 1 73 PRO QD . . 4.310 2.752 2.015 3.565 . 0 0 "[ . 1 . 2]" 2 1019 1 72 LYS QB 1 74 PHE H . . 4.530 2.909 2.317 3.765 . 0 0 "[ . 1 . 2]" 2 1020 1 73 PRO QB 1 74 PHE H . . 3.840 3.315 2.807 3.559 . 0 0 "[ . 1 . 2]" 2 1021 1 73 PRO QG 1 74 PHE H . . 3.800 2.563 1.896 2.937 . 0 0 "[ . 1 . 2]" 2 1022 1 73 PRO QD 1 74 PHE H . . 3.740 2.687 2.602 2.752 . 0 0 "[ . 1 . 2]" 2 1023 1 74 PHE H 1 74 PHE QB . . 3.380 2.678 2.137 3.391 0.011 4 0 "[ . 1 . 2]" 2 1024 1 74 PHE H 1 75 LYS QB . . 5.340 4.431 3.915 5.290 . 0 0 "[ . 1 . 2]" 2 1025 1 74 PHE QB 1 75 LYS H . . 3.990 3.536 2.294 3.942 . 0 0 "[ . 1 . 2]" 2 1026 1 75 LYS H 1 75 LYS QG . . 4.300 3.564 2.188 4.201 . 0 0 "[ . 1 . 2]" 2 1027 1 75 LYS QB 1 76 CYS H . . 4.070 3.418 2.775 3.915 . 0 0 "[ . 1 . 2]" 2 1028 1 76 CYS HB2 1 81 LYS QB . . 5.340 4.381 2.836 5.340 0.000 10 0 "[ . 1 . 2]" 2 1029 1 78 GLU H 1 78 GLU QG . . 3.580 2.653 2.300 3.465 . 0 0 "[ . 1 . 2]" 2 1030 1 79 CYS H 1 79 CYS QB . . 3.410 2.702 2.592 3.021 . 0 0 "[ . 1 . 2]" 2 1031 1 79 CYS H 1 80 GLY QA . . 4.390 4.096 3.787 4.252 . 0 0 "[ . 1 . 2]" 2 1032 1 79 CYS QB 1 81 LYS H . . 4.560 4.288 3.726 4.552 . 0 0 "[ . 1 . 2]" 2 1033 1 79 CYS QB 1 96 HIS HE1 . . 3.540 2.486 2.057 2.703 . 0 0 "[ . 1 . 2]" 2 1034 1 81 LYS H 1 81 LYS QG . . 3.380 2.864 2.075 3.372 . 0 0 "[ . 1 . 2]" 2 1035 1 81 LYS HA 1 81 LYS QG . . 3.740 2.583 2.121 3.433 . 0 0 "[ . 1 . 2]" 2 1036 1 81 LYS QB 1 83 PHE QE . . 4.300 2.798 1.975 4.193 . 0 0 "[ . 1 . 2]" 2 1037 1 81 LYS QB 1 83 PHE HZ . . 5.320 3.484 2.527 5.212 . 0 0 "[ . 1 . 2]" 2 1038 1 81 LYS QE 1 81 LYS QG . . 3.150 2.188 2.027 2.492 . 0 0 "[ . 1 . 2]" 2 1039 1 81 LYS QG 1 82 GLY H . . 4.180 3.570 2.791 3.972 . 0 0 "[ . 1 . 2]" 2 1040 1 81 LYS QD 1 82 GLY H . . 4.960 2.994 2.412 3.909 . 0 0 "[ . 1 . 2]" 2 1041 1 81 LYS QD 1 82 GLY QA . . 4.990 4.506 3.182 5.001 0.011 19 0 "[ . 1 . 2]" 2 1042 1 81 LYS QD 1 83 PHE H . . 4.790 4.622 3.446 4.822 0.032 16 0 "[ . 1 . 2]" 2 1043 1 81 LYS QD 1 83 PHE QE . . 5.340 3.745 2.644 5.249 . 0 0 "[ . 1 . 2]" 2 1044 1 83 PHE H 1 83 PHE QB . . 3.640 2.509 2.188 3.054 . 0 0 "[ . 1 . 2]" 2 1045 1 83 PHE QB 1 85 GLN H . . 3.810 3.089 2.402 3.738 . 0 0 "[ . 1 . 2]" 2 1046 1 84 CYS QB 1 85 GLN H . . 3.970 3.261 2.227 4.028 0.058 18 0 "[ . 1 . 2]" 2 1047 1 85 GLN QB 1 88 THR H . . 3.550 2.747 2.176 3.181 . 0 0 "[ . 1 . 2]" 2 1048 1 86 SER HA 1 89 LEU QB . . 4.350 2.923 2.351 4.091 . 0 0 "[ . 1 . 2]" 2 1049 1 87 ARG QB 1 87 ARG QD . . 3.260 2.225 2.043 2.702 . 0 0 "[ . 1 . 2]" 2 1050 1 88 THR HA 1 91 VAL QG . . 3.700 2.854 1.916 3.535 . 0 0 "[ . 1 . 2]" 2 1051 1 89 LEU H 1 89 LEU QB . . 3.270 2.230 2.175 2.269 . 0 0 "[ . 1 . 2]" 2 1052 1 89 LEU HA 1 92 HIS QB . . 4.800 2.490 2.136 2.896 . 0 0 "[ . 1 . 2]" 2 1053 1 89 LEU QB 1 90 ALA H . . 3.400 2.602 2.261 2.866 . 0 0 "[ . 1 . 2]" 2 1054 1 89 LEU MD1 1 93 LYS QE . . 4.140 3.193 2.159 4.121 . 0 0 "[ . 1 . 2]" 2 1055 1 90 ALA H 1 91 VAL QG . . 5.120 4.074 3.493 4.401 . 0 0 "[ . 1 . 2]" 2 1056 1 91 VAL H 1 91 VAL QG . . 2.970 2.125 1.875 2.382 . 0 0 "[ . 1 . 2]" 2 1057 1 91 VAL H 1 92 HIS QB . . 5.340 4.336 4.015 4.636 . 0 0 "[ . 1 . 2]" 2 1058 1 91 VAL HA 1 91 VAL QG . . 2.940 2.161 2.093 2.328 . 0 0 "[ . 1 . 2]" 2 1059 1 91 VAL QG 1 92 HIS HA . . 4.350 3.473 3.035 3.801 . 0 0 "[ . 1 . 2]" 2 1060 1 92 HIS H 1 92 HIS QB . . 2.930 2.215 2.147 2.268 . 0 0 "[ . 1 . 2]" 2 1061 1 92 HIS HA 1 95 LEU QB . . 4.600 3.186 2.217 3.948 . 0 0 "[ . 1 . 2]" 2 1062 1 92 HIS HA 1 95 LEU QD . . 4.080 2.484 1.766 3.134 . 0 0 "[ . 1 . 2]" 2 1063 1 92 HIS QB 1 93 LYS H . . 3.380 2.625 2.298 2.957 . 0 0 "[ . 1 . 2]" 2 1064 1 93 LYS HA 1 93 LYS QG . . 3.500 2.376 2.130 2.664 . 0 0 "[ . 1 . 2]" 2 1065 1 93 LYS HA 1 93 LYS QD . . 3.800 2.995 2.110 3.742 . 0 0 "[ . 1 . 2]" 2 1066 1 93 LYS QB 1 93 LYS QD . . 2.870 2.210 2.054 2.379 . 0 0 "[ . 1 . 2]" 2 1067 1 93 LYS QB 1 93 LYS QE . . 3.950 3.111 2.115 3.743 . 0 0 "[ . 1 . 2]" 2 1068 1 93 LYS QE 1 93 LYS QG . . 3.320 2.211 2.029 2.559 . 0 0 "[ . 1 . 2]" 2 1069 1 94 THR HA 1 97 MET QB . . 5.340 3.727 2.238 5.036 . 0 0 "[ . 1 . 2]" 2 1070 1 94 THR HA 1 97 MET QG . . 4.390 3.325 2.025 4.385 . 0 0 "[ . 1 . 2]" 2 1071 1 95 LEU H 1 95 LEU QB . . 3.050 2.314 2.141 2.479 . 0 0 "[ . 1 . 2]" 2 1072 1 95 LEU H 1 95 LEU QD . . 3.720 3.083 1.867 3.350 . 0 0 "[ . 1 . 2]" 2 1073 1 95 LEU HA 1 95 LEU QD . . 3.370 2.479 1.942 3.272 . 0 0 "[ . 1 . 2]" 2 1074 1 95 LEU QB 1 96 HIS H . . 3.730 2.888 2.420 3.569 . 0 0 "[ . 1 . 2]" 2 1075 1 96 HIS H 1 96 HIS QB . . 3.150 2.294 2.186 2.421 . 0 0 "[ . 1 . 2]" 2 1076 1 96 HIS QB 1 97 MET H . . 4.110 3.110 1.968 3.911 . 0 0 "[ . 1 . 2]" 2 1077 1 97 MET H 1 97 MET QB . . 3.640 2.623 2.143 3.269 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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