NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
370421 | 1brz | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1brz 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 63 _Distance_constraint_stats_list.Viol_count 237 _Distance_constraint_stats_list.Viol_total 528.278 _Distance_constraint_stats_list.Viol_max 0.224 _Distance_constraint_stats_list.Viol_rms 0.0198 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0045 _Distance_constraint_stats_list.Viol_average_violations_only 0.0518 _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 4 CYS 0.049 0.049 42 0 "[ . 1 . 2 . 3 . 4 ]" 1 5 LYS 0.184 0.073 32 0 "[ . 1 . 2 . 3 . 4 ]" 1 6 LYS 0.615 0.123 2 0 "[ . 1 . 2 . 3 . 4 ]" 1 7 VAL 1.453 0.144 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 9 GLU 0.865 0.139 18 0 "[ . 1 . 2 . 3 . 4 ]" 1 10 ASN 1.782 0.144 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 11 TYR 0.301 0.062 11 0 "[ . 1 . 2 . 3 . 4 ]" 1 13 VAL 0.887 0.205 32 0 "[ . 1 . 2 . 3 . 4 ]" 1 15 LYS 0.276 0.062 11 0 "[ . 1 . 2 . 3 . 4 ]" 1 17 GLN 0.903 0.120 13 0 "[ . 1 . 2 . 3 . 4 ]" 1 18 LEU 0.877 0.120 13 0 "[ . 1 . 2 . 3 . 4 ]" 1 19 ALA 0.079 0.035 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 20 ASN 0.151 0.027 26 0 "[ . 1 . 2 . 3 . 4 ]" 1 21 GLN 0.025 0.025 13 0 "[ . 1 . 2 . 3 . 4 ]" 1 23 ASN 0.137 0.049 37 0 "[ . 1 . 2 . 3 . 4 ]" 1 24 TYR 2.412 0.224 39 0 "[ . 1 . 2 . 3 . 4 ]" 1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]" 1 30 LYS 0.064 0.031 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 31 HIS 0.064 0.031 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 32 ALA 1.588 0.127 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 34 SER 0.158 0.077 11 0 "[ . 1 . 2 . 3 . 4 ]" 1 36 GLU 0.435 0.095 8 0 "[ . 1 . 2 . 3 . 4 ]" 1 37 CYS 0.316 0.095 8 0 "[ . 1 . 2 . 3 . 4 ]" 1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]" 1 39 TYR 0.542 0.118 40 0 "[ . 1 . 2 . 3 . 4 ]" 1 40 ASP 0.347 0.200 27 0 "[ . 1 . 2 . 3 . 4 ]" 1 42 LYS 0.347 0.200 27 0 "[ . 1 . 2 . 3 . 4 ]" 1 43 ARG 0.133 0.053 20 0 "[ . 1 . 2 . 3 . 4 ]" 1 45 LEU 0.945 0.118 40 0 "[ . 1 . 2 . 3 . 4 ]" 1 48 ILE 0.530 0.107 42 0 "[ . 1 . 2 . 3 . 4 ]" 1 49 CYS 1.746 0.127 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 50 ASP 0.082 0.082 5 0 "[ . 1 . 2 . 3 . 4 ]" 1 51 TYR 1.233 0.142 39 0 "[ . 1 . 2 . 3 . 4 ]" 1 52 CYS 0.587 0.093 12 0 "[ . 1 . 2 . 3 . 4 ]" 1 53 GLU 0.890 0.142 39 0 "[ . 1 . 2 . 3 . 4 ]" 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 7 VAL H 1 48 ILE HA 4.132 . 5.000 4.394 3.652 4.732 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 2 1 48 ILE HA 1 48 ILE QG 3.119 . 3.500 2.461 2.159 3.228 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 3 1 7 VAL MG1 1 48 ILE HA 3.493 . 3.750 3.575 2.632 3.857 0.107 42 0 "[ . 1 . 2 . 3 . 4 ]" 1 4 1 23 ASN H 1 36 GLU HA 3.576 . 5.000 4.168 2.753 5.049 0.049 37 0 "[ . 1 . 2 . 3 . 4 ]" 1 5 1 37 CYS HB2 1 45 LEU QD 3.321 . 5.530 3.368 2.200 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 6 1 43 ARG H 1 43 ARG HA 2.597 . 3.500 2.426 2.268 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 7 1 51 TYR HB3 1 51 TYR QE 3.613 . 5.000 4.402 4.383 4.437 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 8 1 50 ASP HA 1 51 TYR HB3 4.021 . 6.780 5.590 5.532 5.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 9 1 51 TYR H 1 51 TYR HB3 3.335 . 5.530 3.638 3.511 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 10 1 4 CYS HB3 1 52 CYS H 3.717 . 5.000 2.840 1.710 5.049 0.049 42 0 "[ . 1 . 2 . 3 . 4 ]" 1 11 1 4 CYS HB3 1 5 LYS H 3.665 . 5.000 3.895 1.882 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 12 1 49 CYS QB 1 50 ASP H 3.557 . 5.000 3.385 3.040 3.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 13 1 49 CYS QB 1 51 TYR QE 3.433 . 3.750 2.660 2.112 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 14 1 32 ALA MB 1 49 CYS QB 2.727 . 3.500 2.388 2.081 3.148 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 15 1 13 VAL H 1 13 VAL HB 3.065 . 3.500 2.982 2.255 3.705 0.205 32 0 "[ . 1 . 2 . 3 . 4 ]" 1 16 1 9 GLU QB 1 10 ASN H 3.342 . 3.750 2.734 1.672 3.889 0.139 18 0 "[ . 1 . 2 . 3 . 4 ]" 1 17 1 18 LEU H 1 18 LEU HB2 2.778 . 3.500 2.965 2.077 3.610 0.110 17 0 "[ . 1 . 2 . 3 . 4 ]" 1 18 1 7 VAL H 1 7 VAL MG1 2.767 . 3.500 1.866 1.694 2.495 0.006 23 0 "[ . 1 . 2 . 3 . 4 ]" 1 19 1 18 LEU HA 1 18 LEU QD 3.859 . 5.000 2.479 2.014 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 20 1 24 TYR QE 1 28 LEU QD 3.618 . 5.000 2.893 2.206 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 21 1 30 LYS H 1 32 ALA MB 4.353 . 5.000 4.137 3.630 4.781 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 22 1 32 ALA MB 1 50 ASP H 3.325 . 3.750 3.513 3.343 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 23 1 32 ALA MB 1 34 SER H 3.078 . 3.500 2.675 2.250 3.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 24 1 32 ALA MB 1 51 TYR QE 3.191 . 3.500 3.015 2.506 3.374 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 25 1 32 ALA MB 1 49 CYS HA 3.337 . 3.750 3.739 3.482 3.877 0.127 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 26 1 17 GLN H 1 45 LEU QD 4.167 . 5.000 4.633 2.957 5.079 0.079 6 0 "[ . 1 . 2 . 3 . 4 ]" 1 27 1 37 CYS HA 1 45 LEU QD 3.990 . 5.000 4.065 3.265 5.017 0.017 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 28 1 24 TYR HA 1 24 TYR QE 4.172 . 5.000 5.009 4.735 5.224 0.224 39 0 "[ . 1 . 2 . 3 . 4 ]" 1 29 1 51 TYR HB3 1 52 CYS H 4.512 . 6.780 3.861 2.282 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 30 1 51 TYR H 1 53 GLU H 4.639 . 5.375 4.709 2.770 5.517 0.142 39 0 "[ . 1 . 2 . 3 . 4 ]" 1 31 1 51 TYR H 1 52 CYS H 3.133 . 3.500 2.258 1.748 3.402 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 32 1 50 ASP HA 1 51 TYR H 2.617 . 3.500 2.167 2.058 2.352 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 33 1 52 CYS H 1 53 GLU H 2.854 . 3.500 2.926 1.658 3.593 0.093 12 0 "[ . 1 . 2 . 3 . 4 ]" 1 34 1 50 ASP HA 1 52 CYS H 3.565 . 5.000 3.917 3.448 5.082 0.082 5 0 "[ . 1 . 2 . 3 . 4 ]" 1 35 1 6 LYS H 1 51 TYR QE 3.415 . 3.750 3.634 2.777 3.873 0.123 2 0 "[ . 1 . 2 . 3 . 4 ]" 1 36 1 5 LYS HA 1 6 LYS H 2.544 . 3.500 2.204 2.136 2.359 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 37 1 49 CYS HA 1 50 ASP H 2.690 . 3.500 2.145 2.106 2.193 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 38 1 34 SER H 1 50 ASP H 3.498 . 3.750 3.298 2.740 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 39 1 5 LYS H 1 6 LYS H 4.282 . 5.000 4.336 3.681 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 40 1 30 LYS H 1 31 HIS H 2.617 . 3.500 2.151 1.669 2.765 0.031 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 41 1 49 CYS HA 1 50 ASP HA 5.265 . 5.265 4.398 4.355 4.424 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 42 1 5 LYS HA 1 50 ASP HA 3.583 . 5.000 2.398 2.232 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 43 1 36 GLU HA 1 37 CYS HB2 3.957 . 5.000 4.466 3.887 5.095 0.095 8 0 "[ . 1 . 2 . 3 . 4 ]" 1 44 1 37 CYS HA 1 38 PHE QB 4.392 . 5.000 4.223 3.910 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 45 1 18 LEU QD 1 19 ALA H . . 4.250 3.296 1.731 4.285 0.035 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 46 1 18 LEU H 1 18 LEU QD 3.613 . 5.000 3.297 1.703 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 47 1 7 VAL MG2 1 10 ASN H 3.772 . 5.000 4.678 3.122 5.144 0.144 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 48 1 20 ASN QD 1 24 TYR QE 3.731 . 5.000 4.674 3.744 5.027 0.027 26 0 "[ . 1 . 2 . 3 . 4 ]" 1 49 1 32 ALA MB 1 51 TYR HB3 4.159 . 6.780 4.602 4.129 5.231 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 50 1 32 ALA MB 1 50 ASP HA 4.195 . 5.000 4.359 3.963 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 51 1 39 TYR HA 1 45 LEU QD 3.471 . 3.750 3.466 2.719 3.868 0.118 40 0 "[ . 1 . 2 . 3 . 4 ]" 1 52 1 17 GLN H 1 18 LEU QD 4.671 . 5.375 4.228 1.690 5.402 0.027 33 0 "[ . 1 . 2 . 3 . 4 ]" 1 53 1 40 ASP HB2 1 42 LYS H 3.739 . 5.000 3.864 2.230 5.200 0.200 27 0 "[ . 1 . 2 . 3 . 4 ]" 1 54 1 11 TYR HH 1 21 GLN QB 3.935 . 5.000 2.707 1.712 5.025 0.025 13 0 "[ . 1 . 2 . 3 . 4 ]" 1 55 1 5 LYS HA 1 51 TYR H 4.077 . 5.000 3.367 2.550 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 56 1 28 LEU H 1 30 LYS H 4.295 . 5.000 3.090 2.504 4.178 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 57 1 34 SER H 1 49 CYS HA 4.472 . 5.000 4.764 4.038 5.077 0.077 11 0 "[ . 1 . 2 . 3 . 4 ]" 1 58 1 5 LYS HA 1 51 TYR QE 3.651 . 5.000 4.604 3.724 5.073 0.073 32 0 "[ . 1 . 2 . 3 . 4 ]" 1 59 1 36 GLU HA 1 37 CYS HA 4.129 . 5.000 4.377 4.290 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 1 60 1 11 TYR HH 1 15 LYS QB 4.080 . 5.000 4.732 3.340 5.062 0.062 11 0 "[ . 1 . 2 . 3 . 4 ]" 1 61 1 17 GLN H 1 18 LEU HB2 4.880 . 5.375 4.532 3.535 5.495 0.120 13 0 "[ . 1 . 2 . 3 . 4 ]" 1 62 1 17 GLN H 1 18 LEU H 3.116 . 3.500 2.517 1.645 3.542 0.055 1 0 "[ . 1 . 2 . 3 . 4 ]" 1 63 1 43 ARG HA 1 43 ARG HE 4.593 . 5.000 4.343 1.920 5.053 0.053 20 0 "[ . 1 . 2 . 3 . 4 ]" 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 680 _Distance_constraint_stats_list.Viol_count 1476 _Distance_constraint_stats_list.Viol_total 8049.583 _Distance_constraint_stats_list.Viol_max 3.440 _Distance_constraint_stats_list.Viol_rms 0.0770 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0064 _Distance_constraint_stats_list.Viol_average_violations_only 0.1268 _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 1 PCA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 ]" 1 2 ASP 0.126 0.030 26 0 "[ . 1 . 2 . 3 . 4 ]" 1 3 LYS 3.225 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]" 1 4 CYS 3.523 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]" 1 5 LYS 3.219 0.209 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 6 LYS 4.249 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 7 VAL 6.095 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 8 TYR 66.802 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]" 1 9 GLU 11.219 0.277 30 0 "[ . 1 . 2 . 3 . 4 ]" 1 10 ASN 3.407 0.277 30 0 "[ . 1 . 2 . 3 . 4 ]" 1 11 TYR 64.707 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]" 1 12 PRO 1.336 0.300 39 0 "[ . 1 . 2 . 3 . 4 ]" 1 13 VAL 4.970 0.300 39 0 "[ . 1 . 2 . 3 . 4 ]" 1 14 SER 2.219 0.194 10 0 "[ . 1 . 2 . 3 . 4 ]" 1 15 LYS 0.968 0.119 13 0 "[ . 1 . 2 . 3 . 4 ]" 1 16 CYS 3.009 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 17 GLN 2.631 0.160 27 0 "[ . 1 . 2 . 3 . 4 ]" 1 18 LEU 6.391 0.238 27 0 "[ . 1 . 2 . 3 . 4 ]" 1 19 ALA 7.933 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]" 1 20 ASN 6.861 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]" 1 21 GLN 3.813 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 22 CYS 4.007 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]" 1 23 ASN 61.470 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]" 1 24 TYR 3.959 0.139 27 0 "[ . 1 . 2 . 3 . 4 ]" 1 25 ASP 11.389 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]" 1 26 CYS 8.968 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]" 1 27 LYS 2.033 0.125 11 0 "[ . 1 . 2 . 3 . 4 ]" 1 28 LEU 3.849 0.279 26 0 "[ . 1 . 2 . 3 . 4 ]" 1 29 ASP 0.942 0.179 26 0 "[ . 1 . 2 . 3 . 4 ]" 1 30 LYS 0.996 0.238 27 0 "[ . 1 . 2 . 3 . 4 ]" 1 31 HIS 0.769 0.279 26 0 "[ . 1 . 2 . 3 . 4 ]" 1 32 ALA 0.183 0.058 8 0 "[ . 1 . 2 . 3 . 4 ]" 1 33 ARG 6.483 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]" 1 34 SER 2.080 0.175 18 0 "[ . 1 . 2 . 3 . 4 ]" 1 35 GLY 0.229 0.092 35 0 "[ . 1 . 2 . 3 . 4 ]" 1 36 GLU 1.185 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]" 1 37 CYS 0.173 0.085 16 0 "[ . 1 . 2 . 3 . 4 ]" 1 38 PHE 47.642 1.818 15 36 "[****.****1****+****-***** ** **** *******]" 1 39 TYR 10.715 0.359 40 0 "[ . 1 . 2 . 3 . 4 ]" 1 40 ASP 6.451 0.339 40 0 "[ . 1 . 2 . 3 . 4 ]" 1 41 GLU 7.324 0.339 40 0 "[ . 1 . 2 . 3 . 4 ]" 1 42 LYS 4.161 0.244 37 0 "[ . 1 . 2 . 3 . 4 ]" 1 43 ARG 6.565 0.267 39 0 "[ . 1 . 2 . 3 . 4 ]" 1 44 ASN 4.497 0.359 40 0 "[ . 1 . 2 . 3 . 4 ]" 1 45 LEU 8.005 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]" 1 46 GLN 48.160 1.818 15 36 "[****.****1****+****-***** ** **** *******]" 1 47 CYS 1.335 0.173 13 0 "[ . 1 . 2 . 3 . 4 ]" 1 48 ILE 2.980 0.279 16 0 "[ . 1 . 2 . 3 . 4 ]" 1 49 CYS 1.569 0.215 24 0 "[ . 1 . 2 . 3 . 4 ]" 1 50 ASP 48.630 1.818 15 36 "[****.****1****+****-***** ** **** *******]" 1 51 TYR 7.861 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]" 1 52 CYS 45.644 1.818 15 36 "[****.****1****+****-***** ** **** *******]" 1 53 GLU 3.996 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]" 1 54 TYR 2.630 0.199 39 0 "[ . 1 . 2 . 3 . 4 ]" 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 18 LEU HA 1 18 LEU HB3 2.908 . 4.000 2.598 2.241 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 2 1 18 LEU HA 1 19 ALA H 2.536 . 4.000 2.682 2.129 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 3 1 18 LEU HA 1 18 LEU QD 2.564 . 4.000 2.158 1.886 2.696 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 4 1 30 LYS HA 1 31 HIS H 3.423 . 4.250 3.148 2.791 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 5 1 17 GLN HB3 1 18 LEU HA 2.876 . 4.000 2.556 2.297 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 6 1 30 LYS HA 1 30 LYS QD 2.516 . 4.000 2.270 2.057 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 7 1 25 ASP HB2 1 29 ASP HA 2.550 . 4.000 2.599 2.424 2.884 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 8 1 12 PRO HA 1 13 VAL H 2.491 . 3.200 2.540 2.135 3.500 0.300 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 9 1 12 PRO HA 1 13 VAL HA 3.748 . 5.500 4.332 3.998 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 10 1 12 PRO HA 1 12 PRO QG 3.487 . 4.250 3.024 2.789 3.520 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 11 1 12 PRO HA 1 13 VAL QG 3.291 . 4.250 3.632 2.825 4.271 0.021 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 12 1 52 CYS HA 1 53 GLU H 2.843 . 4.000 3.193 2.264 3.569 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 13 1 4 CYS HB3 1 52 CYS HA 3.852 . 5.500 4.488 3.739 5.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 14 1 8 TYR HA 1 9 GLU H 2.478 . 3.200 2.654 2.141 3.453 0.253 19 0 "[ . 1 . 2 . 3 . 4 ]" 2 15 1 8 TYR HA 1 8 TYR QD 2.881 . 4.000 2.646 2.188 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 16 1 42 LYS HA 1 43 ARG H 3.294 . 4.250 3.145 2.226 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 17 1 42 LYS H 1 42 LYS HA 2.908 . 4.000 2.877 2.252 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 18 1 8 TYR HA 1 9 GLU QB 2.474 . 3.200 2.391 2.247 2.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 19 1 42 LYS HA 1 42 LYS QD 3.099 . 4.000 3.328 2.220 4.167 0.167 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 20 1 33 ARG QG 1 42 LYS HA 2.760 . 4.000 2.381 2.087 3.130 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 21 1 42 LYS HA 1 42 LYS QG 2.894 . 4.000 2.426 2.127 3.146 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 22 1 8 TYR HA 1 9 GLU HA 3.171 . 4.000 3.476 3.369 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 23 1 10 ASN HA 1 10 ASN QD 4.326 . 5.500 3.345 1.770 4.271 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 24 1 8 TYR HA 1 10 ASN H 2.417 . 3.200 2.599 2.343 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 25 1 10 ASN HA 1 11 TYR H 3.032 . 4.000 2.835 2.118 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 26 1 1 PCA HA 1 2 ASP H 2.652 . 4.000 2.741 2.151 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 27 1 1 PCA HA 1 2 ASP H 2.540 . 4.000 2.033 1.896 2.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 28 1 8 TYR H 1 48 ILE HA 3.109 . 4.000 3.406 2.777 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 29 1 7 VAL HA 1 48 ILE HA 2.615 . 4.000 2.235 2.072 2.359 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 30 1 3 LYS HA 1 3 LYS QD 3.087 . 4.000 2.322 2.029 2.678 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 31 1 48 ILE HA 1 48 ILE MD 2.577 . 4.000 2.275 1.937 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 32 1 2 ASP H 1 3 LYS HA 2.370 . 3.200 2.045 1.944 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 33 1 3 LYS HA 1 3 LYS QG 2.854 . 4.000 2.454 2.007 3.413 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 34 1 22 CYS HA 1 26 CYS H 4.308 . 5.500 3.732 3.262 4.072 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 35 1 22 CYS HA 1 25 ASP H 3.719 . 5.500 3.795 3.326 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 36 1 11 TYR HH 1 22 CYS HA 3.296 . 4.250 3.165 1.862 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 37 1 22 CYS HA 1 23 ASN H 3.586 . 5.500 3.555 3.507 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 38 1 22 CYS HA 1 22 CYS QB 2.465 . 3.200 2.166 2.042 2.366 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 39 1 48 ILE HA 1 48 ILE HB 2.928 . 4.000 3.004 2.832 3.026 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 40 1 22 CYS HA 1 26 CYS HB3 3.310 . 4.250 2.645 2.201 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 41 1 53 GLU HA 1 54 TYR H 2.516 . 4.000 3.010 2.131 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 42 1 53 GLU HA 1 54 TYR QD 3.716 . 5.500 4.717 3.145 5.581 0.081 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 43 1 36 GLU HA 1 37 CYS H 2.509 . 4.000 2.476 2.147 3.054 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 44 1 17 GLN H 1 17 GLN HA 2.967 . 4.000 2.819 2.268 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 45 1 17 GLN HA 1 18 LEU H 2.740 . 4.000 2.715 2.387 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 46 1 41 GLU H 1 41 GLU HA 2.912 . 4.000 2.613 2.263 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 47 1 41 GLU HA 1 41 GLU QB 2.269 . 3.000 2.351 2.150 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 48 1 45 LEU HA 1 45 LEU QD 3.001 . 4.000 2.497 1.982 3.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 49 1 34 SER QB 1 35 GLY H 3.008 . 4.000 2.303 1.727 3.421 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 50 1 9 GLU HA 1 10 ASN H 2.395 . 3.200 2.724 2.096 3.477 0.277 30 0 "[ . 1 . 2 . 3 . 4 ]" 2 51 1 9 GLU HA 1 11 TYR H 2.924 . 4.000 2.453 1.732 2.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 52 1 54 TYR HA 1 54 TYR QD 2.825 . 4.000 2.615 2.176 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 53 1 38 PHE QB 1 45 LEU HA 2.562 . 4.000 2.423 2.155 2.538 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 54 1 8 TYR QB 1 9 GLU HA 2.529 . 4.000 2.353 2.164 2.509 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 55 1 7 VAL MG2 1 9 GLU HA 2.856 . 4.000 2.865 2.197 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 56 1 11 TYR HA 1 12 PRO QD 2.516 . 4.000 2.082 2.022 2.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 57 1 11 TYR HA 1 12 PRO QB 3.097 . 4.000 3.443 2.879 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 58 1 33 ARG HA 1 34 SER H 3.009 . 4.000 3.000 2.619 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 59 1 14 SER HA 1 33 ARG QG 2.180 . 3.000 2.025 1.919 2.200 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 60 1 33 ARG HA 1 33 ARG QB 2.347 . 3.200 2.107 1.988 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 61 1 45 LEU HA 1 46 GLN H 2.443 . 3.200 2.218 2.069 2.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 62 1 54 TYR H 1 54 TYR HA 2.891 . 4.000 2.681 2.270 2.953 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 63 1 13 VAL HA 1 14 SER HA 2.321 . 3.200 2.171 2.155 2.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 64 1 11 TYR HA 1 13 VAL QG 3.099 . 4.000 3.000 2.283 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 65 1 8 TYR QE 1 11 TYR HA 2.768 . 4.000 3.879 2.654 4.199 0.199 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 66 1 8 TYR QD 1 9 GLU HA 2.948 . 4.000 3.694 2.387 4.064 0.064 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 67 1 26 CYS HA 1 30 LYS H 3.255 . 4.250 3.074 2.060 4.283 0.033 26 0 "[ . 1 . 2 . 3 . 4 ]" 2 68 1 19 ALA HA 1 20 ASN H 2.411 . 3.200 2.544 2.126 3.379 0.179 29 0 "[ . 1 . 2 . 3 . 4 ]" 2 69 1 19 ALA H 1 19 ALA HA 2.955 . 4.000 2.727 2.336 2.821 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 70 1 19 ALA HA 1 19 ALA MB 2.442 . 3.200 2.117 2.105 2.132 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 71 1 18 LEU H 1 19 ALA HA 2.902 . 4.000 2.933 2.251 3.727 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 72 1 32 ALA HA 1 51 TYR QE 3.228 . 4.000 3.163 2.375 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 73 1 26 CYS HA 1 32 ALA MB 2.344 . 3.200 2.085 1.997 2.118 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 74 1 27 LYS H 1 27 LYS HA 2.430 . 3.200 2.468 2.373 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 75 1 27 LYS HA 1 27 LYS QG 2.826 . 4.000 2.248 2.150 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 76 1 27 LYS HA 1 31 HIS H 3.350 . 4.250 3.138 2.758 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 77 1 27 LYS HA 1 29 ASP H 3.403 . 4.250 3.426 3.103 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 78 1 27 LYS HA 1 28 LEU H 2.667 . 4.000 2.376 2.292 2.546 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 79 1 27 LYS HA 1 27 LYS HB3 2.263 . 3.000 2.251 2.007 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 80 1 27 LYS HA 1 28 LEU QB 2.384 . 3.200 2.393 2.271 2.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 81 1 28 LEU HA 1 28 LEU QD 2.734 . 4.000 2.360 1.979 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 82 1 15 LYS HA 1 15 LYS QG 2.855 . 4.000 2.444 2.168 3.145 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 83 1 15 LYS HA 1 17 GLN H 3.741 . 5.500 4.371 2.970 5.566 0.066 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 84 1 35 GLY QA 1 50 ASP H 3.748 . 5.500 2.333 1.736 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 85 1 35 GLY QA 1 49 CYS HA 2.889 . 4.000 2.278 1.999 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 86 1 7 VAL HA 1 35 GLY H 2.758 . 4.000 2.298 1.727 3.434 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 87 1 7 VAL HA 1 7 VAL MG1 2.853 . 4.000 2.603 2.408 3.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 88 1 7 VAL HA 1 7 VAL MG2 2.958 . 4.000 3.143 2.959 3.214 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 89 1 7 VAL HA 1 8 TYR H 2.644 . 4.000 2.230 2.138 2.368 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 90 1 7 VAL HA 1 49 CYS H 3.304 . 4.250 2.987 2.331 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 91 1 7 VAL HA 1 48 ILE QG 3.270 . 4.250 3.446 2.463 4.321 0.071 17 0 "[ . 1 . 2 . 3 . 4 ]" 2 92 1 7 VAL HA 1 48 ILE MG 2.927 . 4.000 3.695 2.505 4.070 0.070 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 93 1 7 VAL HA 1 48 ILE MD 3.014 . 4.000 3.189 2.194 3.762 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 94 1 24 TYR HA 1 25 ASP H 3.662 . 5.500 3.557 3.527 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 95 1 24 TYR HA 1 27 LYS QD 3.456 . 4.250 3.561 2.833 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 96 1 24 TYR HA 1 24 TYR QD 2.157 . 3.000 2.829 2.437 3.092 0.092 36 0 "[ . 1 . 2 . 3 . 4 ]" 2 97 1 24 TYR HA 1 27 LYS HB3 2.947 . 4.000 2.544 2.182 3.224 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 98 1 21 GLN HA 1 24 TYR QD 3.530 . 5.500 2.935 2.250 4.135 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 99 1 21 GLN HA 1 25 ASP H 3.749 . 5.500 3.720 3.341 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 100 1 21 GLN H 1 21 GLN HA 2.901 . 4.000 2.646 2.408 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 101 1 21 GLN HA 1 24 TYR QB 2.800 . 4.000 3.640 2.676 4.049 0.049 35 0 "[ . 1 . 2 . 3 . 4 ]" 2 102 1 23 ASN HA 1 23 ASN HB2 2.466 . 3.200 2.625 2.408 2.834 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 103 1 11 TYR QB 1 13 VAL HA 2.845 . 5.780 2.943 2.758 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 104 1 23 ASN HA 1 26 CYS H 3.812 . 5.500 3.967 3.637 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 105 1 23 ASN HA 1 35 GLY H 2.716 . 4.000 3.204 1.822 4.050 0.050 3 0 "[ . 1 . 2 . 3 . 4 ]" 2 106 1 23 ASN HA 1 26 CYS HB2 3.004 . 4.000 3.403 2.570 4.023 0.023 36 0 "[ . 1 . 2 . 3 . 4 ]" 2 107 1 13 VAL H 1 13 VAL HA 2.917 . 4.000 2.648 2.324 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 108 1 13 VAL HA 1 15 LYS H 2.959 . 4.000 2.808 1.829 3.752 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 109 1 13 VAL HA 1 13 VAL HB 2.703 . 4.000 2.867 2.324 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 110 1 13 VAL HA 1 13 VAL QG 2.554 . 4.000 2.119 2.033 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 111 1 13 VAL HA 1 45 LEU QD 4.178 . 5.500 4.701 2.352 5.622 0.122 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 112 1 37 CYS H 1 37 CYS HB2 2.905 . 4.000 2.442 2.137 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 113 1 43 ARG HA 1 44 ASN H 3.113 . 4.000 2.907 2.440 3.422 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 114 1 39 TYR QD 1 43 ARG HA 2.975 . 4.000 2.412 2.198 4.049 0.049 37 0 "[ . 1 . 2 . 3 . 4 ]" 2 115 1 39 TYR QB 1 43 ARG HA 2.666 . 4.000 3.156 2.249 4.200 0.200 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 116 1 42 LYS QB 1 43 ARG HA 2.585 . 4.000 2.391 2.135 2.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 117 1 42 LYS H 1 43 ARG HA 3.705 . 5.500 4.408 3.868 5.428 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 118 1 52 CYS QB 1 53 GLU H 3.203 . 5.780 2.626 1.607 3.935 0.093 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 119 1 52 CYS H 1 52 CYS QB 3.218 . 5.780 2.780 2.175 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 120 1 4 CYS HB3 1 52 CYS QB 4.068 . 5.500 2.923 2.218 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 121 1 31 HIS H 1 31 HIS QB 3.439 . 4.250 3.365 2.999 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 122 1 51 TYR HB3 1 51 TYR QD 2.628 . 5.780 2.334 2.278 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 123 1 51 TYR HA 1 51 TYR HB3 2.886 . 5.780 2.555 2.449 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 124 1 40 ASP HB2 1 41 GLU H 2.689 . 5.780 2.531 1.726 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 125 1 4 CYS H 1 4 CYS HB3 3.136 . 5.780 3.705 3.176 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 126 1 15 LYS H 1 16 CYS HB2 2.712 . 4.000 2.775 2.053 3.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 127 1 16 CYS HB2 1 17 GLN H 3.541 . 5.500 4.022 2.141 4.672 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 128 1 16 CYS HB2 1 45 LEU QD 3.577 . 5.780 2.912 2.154 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 129 1 24 TYR H 1 24 TYR QB 2.909 . 4.000 2.097 2.020 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 130 1 24 TYR QB 1 24 TYR QD 2.868 . 4.000 2.156 2.132 2.201 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 131 1 24 TYR QB 1 25 ASP H 2.868 . 4.000 2.849 2.523 3.227 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 132 1 11 TYR QE 1 16 CYS HB2 3.552 . 7.280 3.710 2.447 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 133 1 11 TYR HH 1 16 CYS HB2 3.382 . 6.030 4.603 2.735 5.342 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 134 1 24 TYR QB 1 26 CYS H 3.668 . 7.280 3.042 2.648 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 135 1 8 TYR QE 1 24 TYR QB 2.680 . 5.780 3.062 2.237 3.865 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 136 1 11 TYR QE 1 24 TYR QB 3.461 . 4.250 3.999 3.319 4.378 0.128 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 137 1 54 TYR H 1 54 TYR QB 3.139 . 4.000 2.646 2.076 3.342 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 138 1 38 PHE QB 1 39 TYR H 2.754 . 4.000 2.167 1.809 2.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 139 1 24 TYR QB 1 24 TYR QD 2.495 . 3.200 1.909 1.896 1.929 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 140 1 38 PHE QB 1 38 PHE QD 2.664 . 4.000 2.129 2.121 2.172 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 141 1 50 ASP QB 1 52 CYS H 2.865 . 4.000 2.688 2.160 3.367 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 142 1 50 ASP QB 1 53 GLU H 3.040 . 4.000 2.482 1.606 3.775 0.094 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 143 1 8 TYR QB 1 10 ASN H 3.272 . 4.250 2.723 2.104 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 144 1 8 TYR H 1 8 TYR QB 2.935 . 4.000 2.251 2.100 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 145 1 8 TYR QB 1 8 TYR QD 2.725 . 4.000 2.197 1.936 2.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 146 1 23 ASN H 1 23 ASN HB2 2.685 . 4.000 2.244 2.055 2.645 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 147 1 4 CYS H 1 4 CYS HB2 2.828 . 4.000 2.813 2.053 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 148 1 10 ASN HA 1 10 ASN QB 2.646 . 4.000 2.326 2.158 2.541 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 149 1 29 ASP H 1 29 ASP HB2 2.971 . 5.780 2.467 2.069 3.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 150 1 8 TYR QE 1 10 ASN QB 2.658 . 5.780 3.421 2.150 5.114 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 151 1 43 ARG HA 1 43 ARG QD 2.642 . 4.000 3.398 2.079 4.267 0.267 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 152 1 16 CYS HB3 1 45 LEU QD 3.134 . 4.000 2.457 2.022 3.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 153 1 15 LYS H 1 16 CYS HB3 3.035 . 5.780 3.626 3.179 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 154 1 44 ASN H 1 44 ASN HB2 2.758 . 4.000 2.538 2.232 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 155 1 44 ASN HB2 1 45 LEU H 3.311 . 6.030 3.628 1.919 4.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 156 1 44 ASN HB2 1 44 ASN QD 2.750 . 4.000 2.617 2.089 3.347 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 157 1 51 TYR H 1 51 TYR HB2 3.088 . 4.000 2.412 2.279 2.661 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 158 1 51 TYR HB2 1 51 TYR QD 2.625 . 4.000 2.507 2.339 2.706 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 159 1 26 CYS H 1 26 CYS HB2 2.801 . 4.000 2.512 2.107 2.958 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 160 1 26 CYS HB2 1 27 LYS H 3.174 . 5.780 2.648 2.267 3.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 161 1 26 CYS HB2 1 32 ALA MB 2.971 . 4.000 3.294 2.433 3.779 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 162 1 8 TYR QD 1 11 TYR QB 2.698 . 4.000 2.847 2.159 4.034 0.034 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 163 1 26 CYS HB2 1 39 TYR H 2.601 . 4.000 2.348 2.137 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 164 1 22 CYS H 1 22 CYS QB 2.799 . 4.000 2.361 2.058 3.144 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 165 1 11 TYR QB 1 11 TYR HH 3.106 . 4.000 3.452 2.047 4.061 0.061 11 0 "[ . 1 . 2 . 3 . 4 ]" 2 166 1 11 TYR H 1 11 TYR QB 2.853 . 4.000 2.610 2.032 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 167 1 25 ASP HB2 1 29 ASP H 2.559 . 4.000 3.148 2.719 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 168 1 20 ASN H 1 20 ASN QB 3.338 . 4.250 2.884 2.239 3.474 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 169 1 2 ASP H 1 2 ASP QB 2.935 . 4.000 2.814 2.136 3.444 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 170 1 8 TYR H 1 8 TYR QB 2.787 . 4.000 2.206 2.043 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 171 1 8 TYR QB 1 8 TYR QD 2.431 . 3.200 2.125 1.908 2.311 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 172 1 11 TYR QB 1 12 PRO QD 3.478 . 4.250 3.435 1.974 3.882 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 173 1 8 TYR QB 1 11 TYR H 2.550 . 4.000 2.220 1.875 2.813 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 174 1 23 ASN HB3 1 24 TYR H 2.959 . 4.000 2.055 1.740 2.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 175 1 23 ASN H 1 23 ASN HB3 2.769 . 5.780 2.890 2.406 3.261 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 176 1 15 LYS H 1 15 LYS QE 2.903 . 4.000 2.615 2.071 3.284 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 177 1 54 TYR QB 1 54 TYR QD 2.683 . 4.000 2.159 2.127 2.242 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 178 1 38 PHE H 1 38 PHE QB 3.045 . 4.000 2.658 2.226 3.201 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 179 1 38 PHE QB 1 39 TYR H 3.058 . 4.000 2.638 1.879 3.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 180 1 44 ASN H 1 44 ASN HB3 3.048 . 5.780 3.628 3.227 4.100 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 181 1 44 ASN HB3 1 45 LEU H 3.168 . 4.000 2.940 1.686 4.144 0.144 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 182 1 33 ARG H 1 44 ASN HB3 3.205 . 5.780 2.795 2.094 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 183 1 21 GLN QE 1 21 GLN QG 2.875 . 4.000 2.345 2.069 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 184 1 11 TYR HH 1 21 GLN QG 3.127 . 4.000 3.142 1.740 4.037 0.037 14 0 "[ . 1 . 2 . 3 . 4 ]" 2 185 1 2 ASP H 1 2 ASP QB 2.616 . 4.000 2.043 1.670 2.431 0.030 26 0 "[ . 1 . 2 . 3 . 4 ]" 2 186 1 8 TYR H 1 47 CYS HB3 2.978 . 5.780 3.142 2.770 3.568 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 187 1 22 CYS QB 1 23 ASN H 3.147 . 4.000 2.342 1.794 2.829 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 188 1 22 CYS QB 1 37 CYS HA 2.744 . 4.000 2.629 2.295 2.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 189 1 37 CYS HB3 1 38 PHE H 3.219 . 4.000 3.357 2.562 4.035 0.035 29 0 "[ . 1 . 2 . 3 . 4 ]" 2 190 1 22 CYS QB 1 37 CYS H 3.084 . 5.780 3.253 2.630 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 191 1 37 CYS HB3 1 45 LEU QD 3.459 . 4.000 2.431 1.972 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 192 1 21 GLN H 1 21 GLN QB 2.869 . 4.000 2.378 2.040 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 193 1 17 GLN H 1 17 GLN QG 2.935 . 4.000 3.005 1.736 4.033 0.033 6 0 "[ . 1 . 2 . 3 . 4 ]" 2 194 1 17 GLN H 1 17 GLN QG 3.167 . 4.000 2.922 1.736 3.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 195 1 9 GLU QG 1 10 ASN H 3.566 . 5.500 3.831 1.758 4.739 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 196 1 9 GLU H 1 9 GLU QG 2.947 . 4.000 2.470 1.675 4.051 0.051 23 0 "[ . 1 . 2 . 3 . 4 ]" 2 197 1 30 LYS H 1 30 LYS HB2 3.137 . 5.780 2.637 2.255 2.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 198 1 41 GLU H 1 41 GLU QB 3.237 . 4.000 2.618 2.029 3.507 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 199 1 46 GLN QB 1 46 GLN QE 2.903 . 4.000 2.713 1.701 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 200 1 7 VAL MG1 1 41 GLU QB 3.653 . 5.500 3.648 2.619 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 201 1 46 GLN QB 1 48 ILE MG 3.235 . 4.000 3.686 3.072 4.070 0.070 17 0 "[ . 1 . 2 . 3 . 4 ]" 2 202 1 46 GLN H 1 46 GLN QB 3.281 . 4.250 2.553 2.157 3.245 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 203 1 50 ASP H 1 50 ASP QB 3.093 . 4.000 2.355 2.192 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 204 1 26 CYS H 1 26 CYS HB3 3.131 . 5.780 3.570 3.358 3.618 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 205 1 26 CYS HB3 1 27 LYS H 2.919 . 4.000 3.327 2.806 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 206 1 17 GLN H 1 17 GLN HB3 3.056 . 5.780 3.608 2.784 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 207 1 38 PHE QE 1 48 ILE HB 3.224 . 4.000 3.603 2.419 4.070 0.070 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 208 1 48 ILE H 1 48 ILE HB 2.967 . 4.000 2.502 2.225 3.375 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 209 1 38 PHE QD 1 48 ILE HB 2.951 . 4.000 2.670 2.271 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 210 1 48 ILE HB 1 48 ILE MD 2.377 . 3.200 2.025 1.908 2.095 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 211 1 8 TYR QD 1 30 LYS QE 3.436 . 4.250 3.261 2.240 4.267 0.017 41 0 "[ . 1 . 2 . 3 . 4 ]" 2 212 1 9 GLU H 1 9 GLU QB 3.033 . 4.000 2.945 2.580 3.524 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 213 1 42 LYS QB 1 44 ASN QD 3.584 . 5.500 3.165 1.801 4.558 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 214 1 12 PRO QB 1 13 VAL H 2.777 . 4.000 2.409 1.697 3.175 0.003 2 0 "[ . 1 . 2 . 3 . 4 ]" 2 215 1 8 TYR H 1 46 GLN QG 2.954 . 4.000 3.558 2.396 4.066 0.066 22 0 "[ . 1 . 2 . 3 . 4 ]" 2 216 1 7 VAL H 1 7 VAL HB 2.611 . 4.000 3.575 3.427 3.996 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 217 1 7 VAL HB 1 7 VAL MG1 2.493 . 3.200 2.115 2.099 2.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 218 1 36 GLU QB 1 37 CYS H 2.698 . 4.000 2.738 1.739 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 219 1 7 VAL HB 1 18 LEU H 2.933 . 4.000 2.609 2.044 4.003 0.003 2 0 "[ . 1 . 2 . 3 . 4 ]" 2 220 1 21 GLN QB 1 24 TYR QD 3.261 . 4.250 3.393 2.682 4.309 0.059 11 0 "[ . 1 . 2 . 3 . 4 ]" 2 221 1 7 VAL HB 1 24 TYR QD 3.102 . 4.000 3.504 2.612 4.037 0.037 3 0 "[ . 1 . 2 . 3 . 4 ]" 2 222 1 16 CYS H 1 17 GLN HB2 3.099 . 4.000 2.810 1.701 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 223 1 17 GLN H 1 17 GLN HB2 2.792 . 4.000 2.743 2.119 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 224 1 53 GLU H 1 53 GLU QB 3.362 . 4.000 2.870 2.206 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 225 1 18 LEU HB2 1 19 ALA H 3.776 . 7.280 3.517 1.939 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 226 1 15 LYS H 1 15 LYS QB 3.233 . 4.000 2.369 1.679 3.167 0.021 32 0 "[ . 1 . 2 . 3 . 4 ]" 2 227 1 6 LYS QB 1 51 TYR QE 2.987 . 4.000 2.746 1.988 4.054 0.054 11 0 "[ . 1 . 2 . 3 . 4 ]" 2 228 1 3 LYS QB 1 5 LYS H 4.185 . 5.500 3.632 2.411 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 229 1 6 LYS QB 1 7 VAL H 3.572 . 5.500 3.247 1.750 3.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 230 1 2 ASP H 1 3 LYS QB 2.837 . 4.000 2.263 1.947 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 231 1 8 TYR H 1 46 GLN QB 3.549 . 5.500 2.765 1.978 3.511 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 232 1 6 LYS QB 1 38 PHE QE 2.884 . 4.000 2.475 2.042 3.974 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 233 1 36 GLU H 1 36 GLU QB 3.161 . 4.000 2.684 1.790 3.346 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 234 1 6 LYS H 1 6 LYS QB 3.203 . 4.000 2.861 2.294 3.315 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 235 1 42 LYS H 1 42 LYS QB 2.851 . 4.000 2.557 2.175 3.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 236 1 42 LYS QB 1 44 ASN QD 3.594 . 5.500 3.362 1.802 5.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 237 1 2 ASP H 1 3 LYS QB 2.807 . 4.000 2.670 2.092 3.370 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 238 1 3 LYS QB 1 5 LYS H 2.909 . 4.000 2.656 2.038 3.052 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 239 1 12 PRO QB 1 15 LYS H 3.085 . 4.000 2.801 1.701 3.968 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 240 1 27 LYS H 1 27 LYS HB3 2.663 . 4.000 2.921 2.458 3.275 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 241 1 18 LEU H 1 18 LEU HG 2.967 . 4.000 3.649 1.957 4.214 0.214 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 242 1 8 TYR H 1 47 CYS HB2 2.801 . 4.000 2.208 2.045 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 243 1 27 LYS HB3 1 28 LEU H 2.556 . 4.000 2.706 1.932 2.817 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 244 1 28 LEU QB 1 29 ASP H 2.871 . 4.000 2.507 1.696 2.999 0.004 18 0 "[ . 1 . 2 . 3 . 4 ]" 2 245 1 48 ILE H 1 48 ILE QG 3.203 . 4.000 2.704 1.725 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 246 1 38 PHE QD 1 48 ILE QG 3.117 . 4.000 2.712 2.143 3.699 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 247 1 28 LEU H 1 28 LEU HG 3.901 . 5.500 4.821 4.398 5.251 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 248 1 28 LEU HA 1 28 LEU HG 3.297 . 4.250 2.968 2.276 3.758 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 249 1 18 LEU H 1 18 LEU HB3 3.113 . 5.780 3.794 3.351 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 250 1 18 LEU HB3 1 19 ALA H 3.470 . 4.250 2.996 1.668 4.408 0.158 21 0 "[ . 1 . 2 . 3 . 4 ]" 2 251 1 43 ARG HA 1 43 ARG QG 3.450 . 4.000 2.576 2.144 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 252 1 23 ASN QD 1 27 LYS QD 3.351 . 4.250 2.813 2.017 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 253 1 45 LEU H 1 45 LEU QB 2.885 . 4.000 2.638 2.148 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 254 1 5 LYS HA 1 5 LYS QD 2.552 . 4.000 3.540 2.219 4.209 0.209 19 0 "[ . 1 . 2 . 3 . 4 ]" 2 255 1 5 LYS H 1 5 LYS QD 2.942 . 4.000 3.241 1.719 4.056 0.056 9 0 "[ . 1 . 2 . 3 . 4 ]" 2 256 1 24 TYR QE 1 28 LEU QB 2.985 . 4.000 3.141 2.408 3.844 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 257 1 28 LEU H 1 28 LEU QB 2.426 . 3.200 2.661 2.066 2.803 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 258 1 32 ALA MB 1 33 ARG QB 3.192 . 4.000 3.837 3.460 4.058 0.058 8 0 "[ . 1 . 2 . 3 . 4 ]" 2 259 1 28 LEU QB 1 31 HIS H 3.079 . 4.000 2.365 1.704 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 260 1 27 LYS H 1 27 LYS HB2 2.898 . 5.780 2.195 2.008 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 261 1 19 ALA MB 1 20 ASN H 3.007 . 4.000 3.062 1.698 3.718 0.002 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 262 1 19 ALA H 1 19 ALA MB 2.567 . 4.000 2.536 2.112 3.123 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 263 1 18 LEU HA 1 19 ALA MB 3.581 . 5.500 4.049 3.777 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 264 1 19 ALA MB 1 20 ASN QD 3.658 . 5.500 5.379 4.808 5.565 0.065 1 0 "[ . 1 . 2 . 3 . 4 ]" 2 265 1 42 LYS H 1 42 LYS QG 3.336 . 4.250 3.609 2.145 4.299 0.049 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 266 1 6 LYS QG 1 51 TYR QE 3.395 . 4.250 3.087 2.024 4.222 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 267 1 5 LYS HA 1 5 LYS QG 2.786 . 4.000 2.987 2.192 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 268 1 39 TYR QE 1 45 LEU QB 2.987 . 4.000 3.160 2.282 4.144 0.144 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 269 1 45 LEU H 1 45 LEU QB 2.626 . 4.000 2.468 1.699 3.134 0.001 25 0 "[ . 1 . 2 . 3 . 4 ]" 2 270 1 33 ARG HE 1 33 ARG QG 3.043 . 4.000 2.599 2.129 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 271 1 33 ARG H 1 33 ARG QG 3.070 . 4.000 3.763 2.683 4.135 0.135 36 0 "[ . 1 . 2 . 3 . 4 ]" 2 272 1 8 TYR QD 1 30 LYS QD 3.261 . 4.250 3.409 2.179 4.304 0.054 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 273 1 30 LYS H 1 30 LYS QD 3.164 . 4.000 2.930 1.878 3.629 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 274 1 15 LYS H 1 15 LYS QG 3.300 . 4.250 2.853 1.965 3.934 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 275 1 27 LYS H 1 27 LYS QG 3.237 . 4.000 3.723 3.391 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 276 1 13 VAL QG 1 47 CYS H 3.742 . 5.500 4.658 3.113 5.521 0.021 33 0 "[ . 1 . 2 . 3 . 4 ]" 2 277 1 13 VAL QG 1 45 LEU QD 3.567 . 4.000 2.895 1.857 4.069 0.069 12 0 "[ . 1 . 2 . 3 . 4 ]" 2 278 1 13 VAL QG 1 14 SER H 2.980 . 4.000 3.002 1.550 3.680 0.150 11 0 "[ . 1 . 2 . 3 . 4 ]" 2 279 1 13 VAL H 1 13 VAL QG 2.555 . 4.000 2.211 1.656 3.351 0.044 12 0 "[ . 1 . 2 . 3 . 4 ]" 2 280 1 13 VAL QG 1 15 LYS H 3.878 . 5.500 4.472 1.720 5.580 0.080 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 281 1 13 VAL QG 1 45 LEU H 3.803 . 5.500 3.444 1.837 5.268 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 282 1 7 VAL MG1 1 8 TYR H 3.454 . 4.250 4.142 3.687 4.309 0.059 28 0 "[ . 1 . 2 . 3 . 4 ]" 2 283 1 7 VAL MG1 1 46 GLN QE 4.029 . 5.500 4.136 2.150 5.506 0.006 1 0 "[ . 1 . 2 . 3 . 4 ]" 2 284 1 7 VAL MG2 1 48 ILE HA 3.638 . 5.500 4.862 3.788 5.117 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 285 1 7 VAL MG2 1 8 TYR H 3.044 . 4.000 3.213 2.164 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 286 1 7 VAL H 1 7 VAL MG2 3.387 . 4.250 2.742 2.309 3.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 287 1 48 ILE H 1 48 ILE MD 3.477 . 4.250 3.147 1.692 3.652 0.008 41 0 "[ . 1 . 2 . 3 . 4 ]" 2 288 1 46 GLN H 1 48 ILE MD 2.958 . 4.000 2.736 1.960 3.239 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 289 1 38 PHE QE 1 48 ILE MD 3.290 . 4.250 3.563 2.378 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 290 1 5 LYS HA 1 48 ILE MG 3.150 . 4.000 3.548 2.964 4.063 0.063 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 291 1 6 LYS H 1 48 ILE MD 3.034 . 4.000 3.086 2.528 4.016 0.016 1 0 "[ . 1 . 2 . 3 . 4 ]" 2 292 1 38 PHE QD 1 48 ILE MD 2.903 . 4.000 2.813 2.009 4.279 0.279 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 293 1 26 CYS H 1 32 ALA MB 4.191 . 5.500 4.923 4.521 5.353 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 294 1 32 ALA MB 1 33 ARG H 2.800 . 4.000 2.097 1.684 2.422 0.016 36 0 "[ . 1 . 2 . 3 . 4 ]" 2 295 1 27 LYS H 1 32 ALA MB 2.711 . 4.000 2.224 2.066 2.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 296 1 32 ALA MB 1 51 TYR QD 3.394 . 4.250 3.204 2.834 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 297 1 31 HIS H 1 32 ALA MB 3.945 . 5.500 4.301 3.500 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 298 1 45 LEU H 1 45 LEU QD 3.692 . 5.500 3.212 1.658 4.045 0.042 8 0 "[ . 1 . 2 . 3 . 4 ]" 2 299 1 39 TYR QD 1 45 LEU QD 3.658 . 5.500 2.947 2.278 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 300 1 39 TYR QE 1 45 LEU QD 3.395 . 4.250 2.637 1.986 4.157 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 301 1 37 CYS H 1 45 LEU QD 4.253 . 5.500 3.754 2.862 4.885 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 302 1 38 PHE H 1 45 LEU QD 3.672 . 5.500 3.583 2.380 5.463 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 303 1 14 SER H 1 45 LEU QD 3.276 . 4.250 3.269 1.939 4.381 0.131 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 304 1 29 ASP HA 1 29 ASP HB2 2.659 . 5.780 2.997 2.842 3.028 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 305 1 12 PRO HA 1 14 SER H 3.936 . 5.500 4.593 3.090 5.638 0.138 15 0 "[ . 1 . 2 . 3 . 4 ]" 2 306 1 12 PRO HA 1 13 VAL HB 3.627 . 5.500 4.725 3.968 5.391 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 307 1 8 TYR HA 1 8 TYR QE 3.511 . 5.500 4.558 4.199 5.621 0.121 18 0 "[ . 1 . 2 . 3 . 4 ]" 2 308 1 8 TYR HA 1 30 LYS QE 3.151 . 4.000 3.358 2.168 4.069 0.069 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 309 1 7 VAL MG2 1 8 TYR HA 3.554 . 5.500 3.905 3.476 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 310 1 22 CYS HA 1 24 TYR QB 3.398 . 6.030 3.865 3.532 4.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 311 1 51 TYR HA 1 51 TYR HB2 2.858 . 4.000 3.005 2.972 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 312 1 32 ALA MB 1 51 TYR HA 3.435 . 4.250 3.092 2.340 3.770 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 313 1 33 ARG H 1 51 TYR HA 2.634 . 4.000 2.270 1.774 3.008 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 314 1 8 TYR QD 1 9 GLU HA 3.062 . 4.000 3.911 2.393 4.235 0.235 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 315 1 39 TYR QD 1 45 LEU HA 3.314 . 4.250 3.856 2.773 4.283 0.033 10 0 "[ . 1 . 2 . 3 . 4 ]" 2 316 1 32 ALA HA 1 33 ARG H 2.649 . 4.000 2.698 2.517 3.217 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 317 1 35 GLY QA 1 36 GLU H 3.110 . 4.000 2.251 2.116 2.383 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 318 1 23 ASN HA 1 35 GLY QA 3.652 . 5.500 3.104 2.217 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 319 1 6 LYS QB 1 7 VAL HA 4.207 . 5.500 4.017 3.606 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 320 1 7 VAL HA 1 8 TYR QB 3.143 . 4.000 3.985 3.826 4.175 0.175 18 0 "[ . 1 . 2 . 3 . 4 ]" 2 321 1 34 SER H 1 34 SER QB 3.660 . 5.500 3.292 2.696 3.522 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 322 1 21 GLN H 1 24 TYR HA 4.083 . 5.500 3.529 3.204 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 323 1 14 SER H 1 14 SER QB 2.710 . 4.000 2.588 2.006 3.112 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 324 1 21 GLN HA 1 21 GLN QE 3.545 . 5.500 2.211 1.748 3.451 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 325 1 21 GLN HA 1 21 GLN QG 3.396 . 4.250 2.665 2.256 3.258 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 326 1 21 GLN HA 1 24 TYR H 3.192 . 4.000 3.437 3.363 3.480 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 327 1 21 GLN HA 1 21 GLN QG 3.287 . 6.030 2.651 2.254 3.212 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 328 1 21 GLN HA 1 23 ASN H 2.997 . 4.000 2.752 2.732 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 329 1 37 CYS HB2 1 38 PHE H 3.530 . 7.280 4.244 3.654 4.644 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 330 1 11 TYR H 1 12 PRO QD 3.943 . 5.500 3.934 2.601 4.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 331 1 40 ASP H 1 40 ASP HB2 3.909 . 5.500 3.812 3.357 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 332 1 8 TYR QD 1 25 ASP HB3 3.952 . 7.280 4.302 2.601 6.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 333 1 20 ASN QD 1 24 TYR QB 2.762 . 4.000 2.006 1.623 2.176 0.077 43 0 "[ . 1 . 2 . 3 . 4 ]" 2 334 1 9 GLU H 1 11 TYR QB 2.999 . 4.000 2.391 2.102 2.940 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 335 1 8 TYR QE 1 11 TYR QB 2.655 . 4.000 2.961 1.932 4.099 0.099 10 0 "[ . 1 . 2 . 3 . 4 ]" 2 336 1 8 TYR QB 1 22 CYS HA 3.157 . 5.780 3.859 3.520 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 337 1 44 ASN HB3 1 46 GLN QE 4.017 . 7.280 5.077 2.180 7.315 0.035 26 0 "[ . 1 . 2 . 3 . 4 ]" 2 338 1 22 CYS QB 1 48 ILE H 3.639 . 5.500 3.554 2.767 3.957 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 339 1 41 GLU H 1 41 GLU QG 3.886 . 5.500 2.925 1.733 4.493 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 340 1 8 TYR QD 1 9 GLU QG 4.260 . 5.500 3.886 2.449 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 341 1 7 VAL MG1 1 9 GLU QG 4.757 . 5.875 5.439 4.283 5.954 0.079 14 0 "[ . 1 . 2 . 3 . 4 ]" 2 342 1 26 CYS HB3 1 51 TYR QE 3.429 . 4.250 3.618 2.402 4.279 0.029 5 0 "[ . 1 . 2 . 3 . 4 ]" 2 343 1 36 GLU H 1 48 ILE HB 4.037 . 5.500 3.330 2.630 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 344 1 41 GLU QB 1 42 LYS H 3.513 . 5.500 3.372 1.747 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 345 1 3 LYS QB 1 4 CYS H 4.247 . 5.500 3.202 1.730 4.041 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 346 1 36 GLU QB 1 38 PHE QD 3.758 . 5.500 3.513 2.692 4.944 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 347 1 36 GLU QB 1 38 PHE HZ 3.572 . 5.500 3.745 2.623 5.652 0.152 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 348 1 35 GLY H 1 36 GLU QB 3.729 . 5.500 3.103 2.337 3.785 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 349 1 42 LYS QB 1 43 ARG H 3.994 . 5.500 3.119 1.751 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 350 1 3 LYS QB 1 4 CYS H 3.902 . 5.500 3.039 1.729 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 351 1 12 PRO QB 1 13 VAL HA 3.638 . 5.500 3.589 2.652 4.273 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 352 1 12 PRO QB 1 13 VAL H 3.537 . 5.500 3.353 1.691 3.754 0.009 31 0 "[ . 1 . 2 . 3 . 4 ]" 2 353 1 28 LEU HG 1 29 ASP HA 3.666 . 5.500 4.608 3.467 5.522 0.022 32 0 "[ . 1 . 2 . 3 . 4 ]" 2 354 1 43 ARG HE 1 43 ARG QG 3.575 . 4.000 2.584 2.111 3.357 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 355 1 5 LYS QD 1 6 LYS H 2.843 . 4.000 3.730 2.374 4.175 0.175 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 356 1 5 LYS HA 1 5 LYS QG 3.334 . 4.250 2.839 2.181 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 357 1 39 TYR QD 1 45 LEU QB 3.386 . 4.250 3.239 2.235 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 358 1 33 ARG QB 1 34 SER H 3.241 . 4.000 2.706 2.108 3.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 359 1 16 CYS H 1 45 LEU QD 4.229 . 5.500 4.515 3.556 5.433 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 360 1 22 CYS QB 1 36 GLU HA 3.507 . 5.500 3.254 2.146 4.757 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 361 1 21 GLN HA 1 21 GLN QE 3.790 . 5.500 2.208 1.748 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 362 1 52 CYS QB 1 54 TYR H 4.359 . 5.500 4.076 2.151 5.129 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 363 1 8 TYR QB 1 8 TYR QE 3.057 . 4.000 3.140 1.943 3.517 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 364 1 16 CYS H 1 17 GLN QG 3.899 . 5.500 3.546 2.199 4.775 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 365 1 13 VAL HB 1 14 SER H 3.280 . 4.250 3.714 1.695 4.444 0.194 10 0 "[ . 1 . 2 . 3 . 4 ]" 2 366 1 28 LEU HG 1 29 ASP H 4.392 . 5.500 4.099 1.823 4.966 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 367 1 39 TYR QE 1 43 ARG QG 3.417 . 4.250 3.324 2.278 4.364 0.114 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 368 1 11 TYR HH 1 21 GLN QE 3.974 . 5.500 4.373 2.230 5.532 0.032 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 369 1 51 TYR H 1 51 TYR QD 2.891 . 4.000 2.597 2.089 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 370 1 10 ASN H 1 11 TYR H 3.045 . 4.000 3.343 1.658 4.142 0.142 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 371 1 10 ASN H 1 10 ASN QD 3.125 . 4.000 2.637 1.730 2.877 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 372 1 9 GLU H 1 10 ASN H 3.145 . 4.000 2.876 1.599 3.123 0.101 23 0 "[ . 1 . 2 . 3 . 4 ]" 2 373 1 8 TYR H 1 8 TYR QD 3.522 . 5.500 3.968 1.688 4.180 0.012 35 0 "[ . 1 . 2 . 3 . 4 ]" 2 374 1 19 ALA H 1 20 ASN H 3.872 . 5.500 3.685 1.612 4.583 0.088 29 0 "[ . 1 . 2 . 3 . 4 ]" 2 375 1 20 ASN H 1 21 GLN H 3.177 . 4.000 3.450 1.960 4.085 0.085 1 0 "[ . 1 . 2 . 3 . 4 ]" 2 376 1 8 TYR QD 1 9 GLU H 3.203 . 4.000 3.366 2.218 4.148 0.148 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 377 1 24 TYR H 1 25 ASP H 3.304 . 4.250 2.874 2.708 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 378 1 38 PHE H 1 46 GLN H 3.356 . 4.250 2.817 2.053 4.080 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 379 1 37 CYS HA 1 38 PHE H 2.550 . 4.000 2.205 2.146 2.328 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 380 1 41 GLU H 1 42 LYS H 3.070 . 4.000 3.127 1.614 4.058 0.086 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 381 1 28 LEU H 1 29 ASP H 3.140 . 4.000 2.272 1.657 4.002 0.043 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 382 1 29 ASP H 1 30 LYS H 2.894 . 4.000 2.832 2.487 4.040 0.040 18 0 "[ . 1 . 2 . 3 . 4 ]" 2 383 1 7 VAL H 1 8 TYR H 4.913 . 5.875 4.590 4.325 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 384 1 38 PHE QD 1 39 TYR H 3.640 . 5.500 3.461 2.929 4.134 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 385 1 39 TYR H 1 39 TYR QD 3.078 . 4.000 2.529 1.739 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 386 1 43 ARG H 1 44 ASN H 2.959 . 4.000 2.562 1.566 3.433 0.134 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 387 1 37 CYS HA 1 48 ILE H 3.168 . 4.000 2.876 1.994 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 388 1 4 CYS H 1 5 LYS H 2.898 . 4.000 2.247 1.571 3.287 0.129 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 389 1 13 VAL H 1 14 SER H 3.369 . 4.250 3.354 1.657 4.332 0.082 7 0 "[ . 1 . 2 . 3 . 4 ]" 2 390 1 14 SER H 1 15 LYS H 3.074 . 4.000 3.068 1.671 4.095 0.095 30 0 "[ . 1 . 2 . 3 . 4 ]" 2 391 1 53 GLU H 1 54 TYR H 3.995 . 5.500 3.436 1.630 4.504 0.070 12 0 "[ . 1 . 2 . 3 . 4 ]" 2 392 1 42 LYS H 1 43 ARG H 2.626 . 4.000 2.523 1.633 3.548 0.067 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 393 1 35 GLY H 1 36 GLU H 3.069 . 4.000 2.829 2.027 3.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 394 1 33 ARG H 1 34 SER H 2.935 . 4.000 2.123 1.666 2.429 0.034 30 0 "[ . 1 . 2 . 3 . 4 ]" 2 395 1 33 ARG H 1 38 PHE QE 3.592 . 5.500 3.732 2.862 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 396 1 33 ARG H 1 49 CYS HA 3.565 . 5.500 3.738 3.349 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 397 1 27 LYS H 1 28 LEU H 3.106 . 4.000 2.782 2.603 2.896 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 398 1 23 ASN QD 1 24 TYR H 4.166 . 5.500 3.812 2.391 4.691 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 399 1 24 TYR H 1 24 TYR QD 3.430 . 4.250 3.937 3.584 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 400 1 42 LYS H 1 44 ASN H 3.238 . 4.000 3.658 2.749 4.244 0.244 37 0 "[ . 1 . 2 . 3 . 4 ]" 2 401 1 22 CYS H 1 23 ASN H 3.218 . 4.000 2.827 2.251 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 402 1 21 GLN QE 1 24 TYR QD 3.550 . 4.000 3.434 2.324 4.120 0.120 36 0 "[ . 1 . 2 . 3 . 4 ]" 2 403 1 16 CYS H 1 17 GLN H 2.943 . 4.000 2.884 1.544 4.115 0.156 10 0 "[ . 1 . 2 . 3 . 4 ]" 2 404 1 54 TYR H 1 54 TYR QD 3.069 . 4.000 3.269 1.871 4.159 0.159 17 0 "[ . 1 . 2 . 3 . 4 ]" 2 405 1 21 GLN H 1 22 CYS H 3.231 . 4.000 3.478 2.910 4.088 0.088 18 0 "[ . 1 . 2 . 3 . 4 ]" 2 406 1 8 TYR QD 1 11 TYR H 2.262 . 3.000 4.232 1.871 6.440 3.440 32 29 "[***** * *1** *.** ** **.** ** +**-*** 4** ]" 2 407 1 37 CYS HA 1 38 PHE QD 3.783 . 5.500 4.043 3.205 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 408 1 29 ASP H 1 31 HIS H 3.703 . 5.500 3.812 3.293 5.679 0.179 26 0 "[ . 1 . 2 . 3 . 4 ]" 2 409 1 11 TYR HH 1 25 ASP H 4.176 . 5.500 5.333 4.508 5.553 0.053 10 0 "[ . 1 . 2 . 3 . 4 ]" 2 410 1 8 TYR QD 1 10 ASN H 3.879 . 5.500 3.816 1.821 5.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 411 1 8 TYR QE 1 9 GLU H 3.490 . 4.250 4.215 3.720 4.389 0.139 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 412 1 6 LYS H 1 51 TYR QD 3.437 . 4.250 3.623 2.562 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 413 1 18 LEU H 1 19 ALA H 3.802 . 5.500 3.743 1.657 4.592 0.043 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 414 1 39 TYR QD 1 43 ARG H 3.357 . 4.250 4.114 2.152 4.447 0.197 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 415 1 27 LYS H 1 30 LYS H 3.789 . 5.500 3.387 2.988 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 416 1 31 HIS H 1 32 ALA H 2.926 . 4.000 2.783 2.280 3.114 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 417 1 38 PHE QD 1 48 ILE H 3.970 . 5.500 3.829 2.669 5.179 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 418 1 8 TYR HA 1 9 GLU QG 3.441 . 4.250 3.467 3.007 4.208 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 419 1 6 LYS H 1 48 ILE HA 4.374 . 5.500 4.451 3.757 5.552 0.052 1 0 "[ . 1 . 2 . 3 . 4 ]" 2 420 1 11 TYR QE 1 22 CYS HA 3.654 . 5.500 3.757 2.223 4.656 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 421 1 3 LYS HA 1 4 CYS HB3 4.441 . 7.280 5.542 5.183 6.301 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 422 1 52 CYS H 1 53 GLU HA 4.605 . 5.500 4.638 3.901 5.528 0.028 33 0 "[ . 1 . 2 . 3 . 4 ]" 2 423 1 51 TYR HA 1 52 CYS H 3.523 . 5.500 3.334 2.506 3.539 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 424 1 41 GLU HA 1 42 LYS H 3.330 . 4.250 3.141 2.385 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 425 1 50 ASP HA 1 51 TYR HA 3.927 . 5.500 4.383 4.341 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 426 1 39 TYR HA 1 45 LEU HA 2.464 . 3.200 2.454 2.176 3.347 0.147 37 0 "[ . 1 . 2 . 3 . 4 ]" 2 427 1 11 TYR HA 1 11 TYR QD 3.220 . 4.000 2.854 2.244 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 428 1 26 CYS HA 1 31 HIS H 3.505 . 5.500 3.783 1.923 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 429 1 26 CYS HA 1 26 CYS HB2 2.625 . 4.000 3.006 2.861 3.033 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 430 1 19 ALA HA 1 20 ASN HA 2.793 . 4.000 4.080 3.977 4.267 0.267 29 0 "[ . 1 . 2 . 3 . 4 ]" 2 431 1 34 SER HA 1 34 SER QB 2.637 . 4.000 2.180 2.166 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 432 1 12 PRO QB 1 14 SER QB 2.620 . 4.000 2.391 2.162 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 433 1 20 ASN HA 1 21 GLN HA 2.921 . 4.000 3.722 2.895 4.133 0.133 31 0 "[ . 1 . 2 . 3 . 4 ]" 2 434 1 23 ASN HA 1 49 CYS HA 4.401 . 5.500 5.350 4.387 5.587 0.087 21 0 "[ . 1 . 2 . 3 . 4 ]" 2 435 1 13 VAL HA 1 14 SER H 2.746 . 4.000 2.301 2.043 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 436 1 11 TYR QE 1 13 VAL HA 4.199 . 5.500 4.298 2.700 5.574 0.074 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 437 1 11 TYR QD 1 13 VAL HA 3.493 . 4.250 3.434 2.589 4.307 0.057 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 438 1 11 TYR QD 1 12 PRO QD 3.896 . 5.500 3.029 2.221 4.195 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 439 1 40 ASP HA 1 40 ASP HB2 2.763 . 5.780 2.557 2.297 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 440 1 4 CYS HA 1 4 CYS HB3 2.877 . 5.780 2.742 2.516 2.888 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 441 1 16 CYS HB2 1 37 CYS HB2 4.641 . 7.655 4.521 2.878 5.452 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 442 1 24 TYR QB 1 25 ASP HA 2.831 . 4.000 2.556 2.301 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 443 1 38 PHE HA 1 38 PHE QB 2.672 . 4.000 2.421 2.188 2.526 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 444 1 23 ASN H 1 24 TYR QB 3.687 . 5.500 3.112 2.266 3.912 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 445 1 49 CYS HA 1 50 ASP QB 4.716 . 5.875 4.174 4.006 4.730 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 446 1 38 PHE QB 1 46 GLN QB 2.240 . 3.000 4.031 3.006 4.818 1.818 15 36 "[****.****1****+****-***** ** **** *******]" 2 447 1 23 ASN HB2 1 35 GLY H 3.613 . 5.500 4.239 3.294 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 448 1 10 ASN H 1 10 ASN QB 3.568 . 5.500 2.840 2.104 3.529 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 449 1 28 LEU H 1 29 ASP HB2 3.210 . 4.000 3.837 3.497 4.050 0.050 43 0 "[ . 1 . 2 . 3 . 4 ]" 2 450 1 10 ASN QB 1 11 TYR H 2.945 . 5.780 2.580 1.684 3.175 0.016 4 0 "[ . 1 . 2 . 3 . 4 ]" 2 451 1 4 CYS HA 1 4 CYS HB2 2.468 . 3.200 2.206 2.017 2.348 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 452 1 20 ASN H 1 20 ASN QB 3.568 . 5.500 2.499 2.091 3.043 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 453 1 29 ASP HB2 1 30 LYS H 2.992 . 4.000 2.889 1.862 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 454 1 42 LYS QE 1 43 ARG H 3.643 . 5.500 5.057 3.700 5.732 0.232 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 455 1 16 CYS HB3 1 17 GLN H 4.056 . 7.280 3.759 2.217 4.399 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 456 1 44 ASN HA 1 44 ASN HB2 2.985 . 5.780 2.988 2.846 3.031 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 457 1 51 TYR HB2 1 52 CYS H 4.362 . 5.500 3.227 1.813 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 458 1 50 ASP HA 1 51 TYR HB2 3.387 . 4.250 4.325 4.170 4.427 0.177 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 459 1 5 LYS QE 1 5 LYS QG 2.819 . 4.000 2.268 2.100 2.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 460 1 39 TYR QB 1 43 ARG H 3.742 . 5.500 4.071 2.931 5.166 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 461 1 39 TYR HA 1 39 TYR QB 2.230 . 3.000 2.412 2.142 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 462 1 22 CYS QB 1 23 ASN H 3.131 . 4.000 2.335 1.794 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 463 1 11 TYR QB 1 11 TYR QD 2.892 . 4.000 2.137 2.096 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 464 1 11 TYR QB 1 11 TYR QE 3.172 . 4.000 3.281 2.557 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 465 1 25 ASP HB2 1 30 LYS H 3.665 . 7.280 3.480 2.207 4.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 466 1 6 LYS QE 1 51 TYR QE 4.734 . 5.875 4.262 2.281 5.642 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 467 1 19 ALA MB 1 20 ASN QB 3.044 . 4.000 3.783 3.120 4.159 0.159 29 0 "[ . 1 . 2 . 3 . 4 ]" 2 468 1 44 ASN HA 1 44 ASN HB3 2.750 . 4.000 2.582 2.307 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 469 1 11 TYR QD 1 22 CYS QB 3.571 . 4.250 3.989 2.921 4.423 0.173 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 470 1 7 VAL MG2 1 9 GLU QG 2.758 . 4.000 3.291 2.087 3.886 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 471 1 50 ASP QB 1 51 TYR H 3.958 . 5.500 3.402 2.610 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 472 1 26 CYS HB3 1 49 CYS HA 3.440 . 4.250 2.959 2.408 3.624 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 473 1 33 ARG QD 1 53 GLU H 3.754 . 5.500 3.504 1.757 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 474 1 26 CYS HB3 1 30 LYS H 3.002 . 4.000 3.568 3.109 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 475 1 53 GLU H 1 53 GLU QG 3.960 . 5.500 3.745 2.393 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 476 1 40 ASP HB2 1 41 GLU QB 3.555 . 5.500 3.970 3.137 5.319 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 477 1 46 GLN HA 1 46 GLN QG 2.894 . 4.000 2.399 2.188 3.322 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 478 1 43 ARG QB 1 43 ARG HE 3.266 . 4.250 2.917 1.775 4.324 0.074 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 479 1 42 LYS QB 1 44 ASN H 3.348 . 4.250 3.086 2.314 3.852 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 480 1 42 LYS QB 1 43 ARG H 3.055 . 4.000 2.592 1.742 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 481 1 39 TYR QD 1 43 ARG QB 3.424 . 4.250 3.807 2.232 4.311 0.061 10 0 "[ . 1 . 2 . 3 . 4 ]" 2 482 1 36 GLU QB 1 37 CYS HA 4.242 . 5.500 4.351 3.865 4.711 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 483 1 11 TYR QE 1 15 LYS QB 3.965 . 5.500 4.284 2.382 5.512 0.012 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 484 1 5 LYS HA 1 6 LYS QB 4.857 . 5.875 4.328 3.777 4.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 485 1 42 LYS QD 1 44 ASN QD 4.200 . 5.500 4.395 1.973 5.511 0.011 25 0 "[ . 1 . 2 . 3 . 4 ]" 2 486 1 18 LEU HG 1 19 ALA H 4.415 . 5.500 4.553 3.780 5.536 0.036 43 0 "[ . 1 . 2 . 3 . 4 ]" 2 487 1 18 LEU HA 1 18 LEU HG 3.306 . 4.250 2.730 2.234 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 488 1 11 TYR QD 1 47 CYS HB2 3.676 . 7.280 3.286 2.218 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 489 1 8 TYR QD 1 47 CYS HB2 3.441 . 4.250 3.824 2.244 4.289 0.039 4 0 "[ . 1 . 2 . 3 . 4 ]" 2 490 1 25 ASP HA 1 28 LEU QB 2.726 . 4.000 3.630 3.124 4.036 0.036 34 0 "[ . 1 . 2 . 3 . 4 ]" 2 491 1 43 ARG H 1 43 ARG QG 3.974 . 5.500 3.554 2.220 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 492 1 43 ARG QG 1 44 ASN HA 3.913 . 5.500 3.951 3.417 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 493 1 6 LYS QD 1 51 TYR QE 3.285 . 4.250 3.306 2.207 4.313 0.063 7 0 "[ . 1 . 2 . 3 . 4 ]" 2 494 1 5 LYS QD 1 6 LYS HA 2.816 . 4.000 3.381 2.221 4.178 0.178 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 495 1 28 LEU QB 1 29 ASP H 2.962 . 4.000 2.498 1.694 2.989 0.006 18 0 "[ . 1 . 2 . 3 . 4 ]" 2 496 1 27 LYS HB2 1 34 SER H 3.224 . 4.000 2.696 2.107 3.229 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 497 1 5 LYS QG 1 6 LYS H 3.506 . 5.500 2.831 2.165 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 498 1 37 CYS HB2 1 45 LEU QB 3.786 . 7.280 4.317 2.259 5.402 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 499 1 44 ASN HA 1 45 LEU QB 3.287 . 4.250 3.862 3.097 4.181 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 500 1 30 LYS QD 1 32 ALA MB 3.568 . 5.500 3.948 3.491 4.816 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 501 1 26 CYS HB3 1 30 LYS QD 2.466 . 3.200 2.109 2.042 2.186 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 502 1 11 TYR QD 1 13 VAL QG 3.810 . 5.500 4.010 2.251 5.009 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 503 1 13 VAL QG 1 46 GLN HA 3.283 . 4.250 3.493 2.190 4.344 0.094 2 0 "[ . 1 . 2 . 3 . 4 ]" 2 504 1 6 LYS HA 1 7 VAL MG1 3.155 . 4.000 3.367 2.812 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 505 1 7 VAL MG2 1 9 GLU H 3.632 . 5.500 2.633 1.711 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 506 1 7 VAL MG2 1 46 GLN QE 3.740 . 5.500 3.934 1.705 5.512 0.012 29 0 "[ . 1 . 2 . 3 . 4 ]" 2 507 1 28 LEU QD 1 30 LYS H 3.320 . 4.250 3.103 1.880 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 508 1 28 LEU H 1 28 LEU QD 3.905 . 5.500 3.890 3.638 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 509 1 24 TYR QD 1 28 LEU QD 4.039 . 5.500 3.329 2.406 3.866 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 510 1 28 LEU QD 1 31 HIS HD2 4.143 . 5.500 3.905 2.420 5.519 0.019 5 0 "[ . 1 . 2 . 3 . 4 ]" 2 511 1 28 LEU QD 1 29 ASP HA 4.095 . 5.500 3.501 2.407 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 512 1 28 LEU H 1 28 LEU QD 3.776 . 5.500 3.979 3.696 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 513 1 28 LEU QD 1 31 HIS HA 4.958 . 5.875 4.200 3.276 5.127 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 514 1 48 ILE MG 1 49 CYS HA 4.306 . 5.500 3.864 3.199 5.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 515 1 32 ALA MB 1 34 SER HA 3.584 . 5.500 4.217 3.776 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 516 1 8 TYR HA 1 33 ARG QD 3.668 . 5.500 3.870 2.234 4.854 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 517 1 3 LYS HA 1 4 CYS HA 3.478 . 4.250 4.224 4.088 4.449 0.199 4 0 "[ . 1 . 2 . 3 . 4 ]" 2 518 1 40 ASP HA 1 41 GLU HA 3.303 . 4.250 4.345 4.272 4.589 0.339 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 519 1 44 ASN HA 1 45 LEU HA 4.639 . 5.875 4.583 4.306 5.309 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 520 1 6 LYS QD 1 9 GLU HA 3.195 . 4.000 3.848 3.171 4.076 0.076 5 0 "[ . 1 . 2 . 3 . 4 ]" 2 521 1 11 TYR HA 1 12 PRO QD 2.322 . 3.200 2.084 2.023 2.210 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 522 1 7 VAL MG1 1 9 GLU HA 4.119 . 5.500 5.400 4.797 5.671 0.171 4 0 "[ . 1 . 2 . 3 . 4 ]" 2 523 1 18 LEU QD 1 19 ALA HA 3.325 . 4.250 3.627 2.256 4.488 0.238 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 524 1 26 CYS HA 1 49 CYS QB 3.289 . 4.250 3.819 3.208 4.465 0.215 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 525 1 18 LEU HA 1 19 ALA HA 3.746 . 5.500 4.534 4.290 5.287 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 526 1 32 ALA HA 1 51 TYR HB3 5.023 . 5.523 4.381 3.149 5.053 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 527 1 19 ALA HA 1 23 ASN H 3.928 . 5.500 3.686 3.129 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 528 1 27 LYS HA 1 31 HIS HA 3.334 . 4.250 2.883 2.222 3.160 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 529 1 27 LYS HA 1 30 LYS H 4.138 . 5.500 4.029 3.300 4.734 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 530 1 7 VAL HA 1 7 VAL HB 2.993 . 4.000 2.293 2.229 2.404 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 531 1 6 LYS HA 1 7 VAL HA 3.812 . 5.500 4.377 4.296 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 532 1 23 ASN QD 1 24 TYR HA 4.149 . 5.500 4.256 2.340 5.501 0.001 42 0 "[ . 1 . 2 . 3 . 4 ]" 2 533 1 23 ASN HA 1 23 ASN QD 4.064 . 5.500 3.131 1.723 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 534 1 40 ASP H 1 43 ARG HA 4.173 . 5.500 4.078 2.044 5.541 0.041 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 535 1 21 GLN QE 1 24 TYR QB 3.986 . 5.500 4.596 3.537 5.400 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 536 1 8 TYR QB 1 11 TYR H 4.298 . 5.500 3.039 1.688 3.947 0.012 4 0 "[ . 1 . 2 . 3 . 4 ]" 2 537 1 19 ALA MB 1 20 ASN QB 3.051 . 4.000 2.320 2.097 2.875 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 538 1 16 CYS HB3 1 37 CYS HB2 4.313 . 5.500 3.109 2.222 4.056 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 539 1 23 ASN QD 1 27 LYS QE 3.797 . 5.500 3.818 2.403 5.187 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 540 1 26 CYS HB2 1 51 TYR QE 3.638 . 7.280 4.378 4.299 4.440 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 541 1 26 CYS HB2 1 35 GLY QA 3.369 . 4.000 3.121 2.293 4.092 0.092 35 0 "[ . 1 . 2 . 3 . 4 ]" 2 542 1 39 TYR QB 1 44 ASN H 3.754 . 5.500 3.822 1.742 4.905 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 543 1 26 CYS HB2 1 33 ARG QB 2.868 . 4.000 3.895 2.111 4.334 0.334 7 0 "[ . 1 . 2 . 3 . 4 ]" 2 544 1 5 LYS QE 1 48 ILE MD 3.307 . 4.250 3.615 2.097 4.325 0.075 11 0 "[ . 1 . 2 . 3 . 4 ]" 2 545 1 39 TYR QB 1 45 LEU QD 4.621 . 5.500 3.906 1.963 4.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 546 1 10 ASN H 1 11 TYR QB 3.276 . 4.250 2.343 2.116 2.585 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 547 1 16 CYS HA 1 22 CYS QB 2.407 . 3.200 2.351 2.159 2.582 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 548 1 20 ASN QB 1 24 TYR QD 3.673 . 5.500 4.930 2.949 5.568 0.068 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 549 1 19 ALA H 1 20 ASN QB 3.520 . 5.500 4.339 3.089 5.243 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 550 1 11 TYR QB 1 11 TYR QE 3.900 . 5.500 3.937 3.907 3.961 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 551 1 8 TYR QB 1 9 GLU H 3.525 . 5.500 3.391 1.615 3.778 0.085 23 0 "[ . 1 . 2 . 3 . 4 ]" 2 552 1 15 LYS QE 1 15 LYS QG 2.995 . 4.000 2.324 2.099 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 553 1 11 TYR QE 1 22 CYS QB 3.694 . 5.500 3.702 2.612 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 554 1 41 GLU QG 1 42 LYS H 4.570 . 5.500 4.016 1.796 4.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 555 1 7 VAL MG2 1 41 GLU QB 2.999 . 4.000 3.913 2.917 4.109 0.109 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 556 1 30 LYS HB2 1 31 HIS H 4.387 . 5.500 3.779 2.088 4.288 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 557 1 26 CYS HB3 1 33 ARG H 3.643 . 5.500 3.539 2.776 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 558 1 16 CYS H 1 17 GLN HB3 3.811 . 7.280 5.626 4.605 7.209 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 559 1 53 GLU QG 1 54 TYR QD 4.522 . 5.500 4.334 2.283 5.510 0.010 14 0 "[ . 1 . 2 . 3 . 4 ]" 2 560 1 30 LYS QE 1 30 LYS QG 3.161 . 4.000 2.311 2.099 2.733 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 561 1 13 VAL QG 1 46 GLN QG 3.262 . 4.250 3.877 2.675 4.409 0.159 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 562 1 6 LYS HA 1 7 VAL HB 2.859 . 4.000 3.687 2.388 4.219 0.219 19 0 "[ . 1 . 2 . 3 . 4 ]" 2 563 1 36 GLU QB 1 37 CYS HB2 4.152 . 5.500 4.828 3.708 5.585 0.085 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 564 1 5 LYS QB 1 6 LYS H 4.346 . 5.500 3.149 2.598 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 565 1 17 GLN H 1 18 LEU HG 4.357 . 5.500 5.049 3.584 5.660 0.160 27 0 "[ . 1 . 2 . 3 . 4 ]" 2 566 1 11 TYR H 1 27 LYS QD 3.850 . 5.500 3.278 2.029 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 567 1 12 PRO QG 1 13 VAL H 4.171 . 5.500 4.501 2.253 4.858 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 568 1 6 LYS QD 1 51 TYR QD 3.600 . 5.500 4.144 2.372 5.546 0.046 2 0 "[ . 1 . 2 . 3 . 4 ]" 2 569 1 3 LYS H 1 3 LYS QG 2.936 . 4.000 3.008 1.683 4.088 0.088 37 0 "[ . 1 . 2 . 3 . 4 ]" 2 570 1 42 LYS QG 1 43 ARG H 3.521 . 5.500 3.244 2.215 4.016 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 571 1 28 LEU QB 1 30 LYS H 4.182 . 5.500 4.645 4.185 5.417 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 572 1 27 LYS HB2 1 34 SER HA 3.500 . 4.250 3.498 2.720 4.375 0.125 11 0 "[ . 1 . 2 . 3 . 4 ]" 2 573 1 4 CYS HA 1 6 LYS QG 3.721 . 5.500 3.833 3.298 4.406 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 574 1 45 LEU QB 1 46 GLN H 3.246 . 4.000 3.118 2.186 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 575 1 30 LYS QD 1 31 HIS H 4.049 . 5.500 4.186 3.612 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 576 1 6 LYS HA 1 7 VAL MG2 3.489 . 5.250 4.439 4.021 5.089 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 577 1 8 TYR H 1 48 ILE MD 4.517 . 5.500 4.201 3.068 4.856 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 578 1 6 LYS HA 1 48 ILE MD 3.000 . 4.000 3.784 3.097 4.106 0.106 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 579 1 16 CYS HA 1 45 LEU QD 3.606 . 4.250 3.331 2.237 4.302 0.052 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 580 1 17 GLN QG 1 45 LEU QD 3.841 . 5.500 4.044 2.213 5.515 0.015 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 581 1 41 GLU HA 1 43 ARG H 3.570 . 5.500 4.539 3.205 5.658 0.158 2 0 "[ . 1 . 2 . 3 . 4 ]" 2 582 1 40 ASP HB2 1 41 GLU HA 3.818 . 5.500 4.632 3.795 5.552 0.052 23 0 "[ . 1 . 2 . 3 . 4 ]" 2 583 1 45 LEU HA 1 46 GLN HA 4.180 . 5.500 4.431 4.351 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 584 1 19 ALA HA 1 23 ASN HB2 2.500 . 3.200 3.133 2.352 3.266 0.066 35 0 "[ . 1 . 2 . 3 . 4 ]" 2 585 1 14 SER QB 1 15 LYS QB 4.301 . 5.500 4.203 3.363 4.995 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 586 1 4 CYS HA 1 51 TYR HB3 3.507 . 5.500 4.417 3.552 5.513 0.013 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 587 1 42 LYS H 1 42 LYS QE 3.507 . 5.500 4.660 2.413 5.534 0.034 38 0 "[ . 1 . 2 . 3 . 4 ]" 2 588 1 16 CYS HB3 1 45 LEU QB 2.889 . 4.000 3.453 2.447 4.125 0.125 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 589 1 38 PHE QD 1 39 TYR QB 3.904 . 5.500 5.067 4.535 5.587 0.087 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 590 1 25 ASP HB2 1 30 LYS QD 3.147 . 4.000 3.009 2.204 3.725 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 591 1 15 LYS QE 1 15 LYS QG 3.174 . 4.000 2.265 2.034 2.845 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 592 1 23 ASN H 1 26 CYS HB3 4.126 . 5.500 2.990 2.177 3.464 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 593 1 33 ARG QD 1 52 CYS HA 3.769 . 5.500 4.139 2.236 5.517 0.017 3 0 "[ . 1 . 2 . 3 . 4 ]" 2 594 1 5 LYS QD 1 7 VAL H 3.766 . 5.500 4.573 2.841 5.505 0.005 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 595 1 5 LYS QG 1 6 LYS HA 3.224 . 4.000 2.676 2.149 3.297 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 596 1 5 LYS H 1 5 LYS QG 3.763 . 5.500 2.863 1.729 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 597 1 30 LYS QD 1 51 TYR QE 4.493 . 5.500 3.994 3.125 4.823 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 598 1 8 TYR HA 1 30 LYS QD 3.887 . 5.500 3.842 2.285 5.151 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 599 1 11 TYR H 1 13 VAL QG 4.718 . 5.875 4.188 3.158 5.186 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 600 1 7 VAL MG1 1 48 ILE HB 4.510 . 5.500 5.231 4.365 5.554 0.054 21 0 "[ . 1 . 2 . 3 . 4 ]" 2 601 1 33 ARG QG 1 52 CYS HA 3.655 . 5.500 4.128 2.471 5.720 0.220 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 602 1 3 LYS HA 1 4 CYS HB2 2.621 . 4.000 3.970 3.048 4.157 0.157 33 0 "[ . 1 . 2 . 3 . 4 ]" 2 603 1 13 VAL HA 1 27 LYS QD 3.467 . 4.250 4.110 3.591 4.358 0.108 10 0 "[ . 1 . 2 . 3 . 4 ]" 2 604 1 46 GLN HA 1 47 CYS H 2.543 . 4.000 2.292 2.124 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 605 1 20 ASN H 1 20 ASN HA 2.528 . 4.000 2.673 2.246 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 606 1 24 TYR QD 1 25 ASP H 3.702 . 5.500 3.268 2.693 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 607 1 38 PHE H 1 38 PHE QD 3.481 . 4.250 3.486 2.595 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 608 1 37 CYS H 1 38 PHE H 4.520 . 5.500 3.934 3.785 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 609 1 40 ASP HA 1 41 GLU H 2.478 . 3.200 2.536 2.073 3.447 0.247 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 610 1 25 ASP HA 1 29 ASP H 3.368 . 4.250 3.376 2.739 4.368 0.118 26 0 "[ . 1 . 2 . 3 . 4 ]" 2 611 1 6 LYS HA 1 7 VAL H 2.437 . 3.200 2.185 2.115 2.902 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 612 1 37 CYS H 1 38 PHE HA 2.482 . 3.200 2.310 2.125 2.682 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 613 1 34 SER HA 1 35 GLY H 2.824 . 4.000 2.622 2.141 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 614 1 39 TYR QD 1 45 LEU H 3.543 . 5.500 4.201 1.724 5.409 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 615 1 44 ASN HA 1 45 LEU H 2.414 . 3.200 2.630 2.139 3.499 0.299 16 0 "[ . 1 . 2 . 3 . 4 ]" 2 616 1 4 CYS H 1 4 CYS HA 2.919 . 4.000 2.766 2.257 2.952 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 617 1 3 LYS HA 1 4 CYS H 2.965 . 4.000 2.384 2.115 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 618 1 2 ASP H 1 2 ASP HA 2.548 . 4.000 2.469 2.041 2.784 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 619 1 25 ASP HA 1 28 LEU H 3.061 . 4.000 4.062 3.751 4.140 0.140 33 0 "[ . 1 . 2 . 3 . 4 ]" 2 620 1 34 SER H 1 34 SER HA 2.885 . 4.000 2.823 2.668 2.928 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 621 1 16 CYS HA 1 18 LEU H 3.006 . 4.000 3.613 2.958 4.124 0.124 5 0 "[ . 1 . 2 . 3 . 4 ]" 2 622 1 38 PHE HA 1 38 PHE QD 2.855 . 4.000 2.684 2.155 3.674 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 623 1 31 HIS HA 1 31 HIS HD2 3.909 . 5.500 3.200 2.521 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 624 1 30 LYS HA 1 31 HIS HD2 4.164 . 5.500 4.557 2.732 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 625 1 24 TYR QD 1 25 ASP HA 3.248 . 4.000 3.763 3.302 4.083 0.083 4 0 "[ . 1 . 2 . 3 . 4 ]" 2 626 1 31 HIS H 1 31 HIS HA 2.457 . 3.200 2.294 2.259 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 627 1 38 PHE HA 1 39 TYR QD 2.785 . 4.000 3.643 2.648 4.116 0.116 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 628 1 23 ASN QD 1 26 CYS HB2 2.361 . 3.200 2.144 2.113 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 629 1 8 TYR QE 1 25 ASP HA 2.812 . 4.000 3.805 3.436 4.063 0.063 42 0 "[ . 1 . 2 . 3 . 4 ]" 2 630 1 39 TYR QB 1 39 TYR QE 3.008 . 4.000 3.937 3.906 3.978 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 631 1 30 LYS H 1 31 HIS HA 3.563 . 5.500 4.217 3.828 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 632 1 30 LYS H 1 30 LYS HA 2.963 . 4.000 2.929 2.903 2.954 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 633 1 50 ASP HA 1 51 TYR QD 3.025 . 4.000 3.173 2.673 4.017 0.017 1 0 "[ . 1 . 2 . 3 . 4 ]" 2 634 1 26 CYS H 1 28 LEU H 3.948 . 5.500 4.171 3.830 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 635 1 11 TYR QD 1 47 CYS H 4.337 . 5.500 4.273 3.041 5.650 0.150 18 0 "[ . 1 . 2 . 3 . 4 ]" 2 636 1 37 CYS HA 1 47 CYS H 4.411 . 5.500 4.556 3.855 4.914 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 637 1 8 TYR H 1 9 GLU H 4.561 . 5.500 3.499 2.091 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 638 1 41 GLU H 1 43 ARG H 4.503 . 5.500 4.789 3.066 5.551 0.051 42 0 "[ . 1 . 2 . 3 . 4 ]" 2 639 1 23 ASN QD 1 35 GLY H 3.835 . 5.500 2.779 1.675 3.889 0.025 5 0 "[ . 1 . 2 . 3 . 4 ]" 2 640 1 40 ASP H 1 44 ASN H 4.176 . 5.500 3.292 1.938 5.391 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 641 1 30 LYS HA 1 31 HIS HE1 4.595 . 5.500 4.646 3.619 5.537 0.037 5 0 "[ . 1 . 2 . 3 . 4 ]" 2 642 1 21 GLN QB 1 22 CYS H 3.449 . 4.250 2.220 1.727 3.949 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 643 1 40 ASP H 1 43 ARG H 5.226 . 5.726 3.755 2.416 5.062 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 644 1 33 ARG H 1 50 ASP H 3.684 . 5.500 3.968 3.268 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 645 1 21 GLN H 1 21 GLN QG 3.582 . 5.500 3.238 1.737 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 646 1 16 CYS HA 1 17 GLN H 2.834 . 4.000 2.819 2.112 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 647 1 4 CYS HA 1 51 TYR QD 3.511 . 5.500 4.230 2.945 5.034 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 648 1 38 PHE QB 1 38 PHE QE 3.350 . 4.250 3.927 3.919 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 649 1 6 LYS QG 1 18 LEU H 3.153 . 4.000 3.459 2.205 4.167 0.167 12 0 "[ . 1 . 2 . 3 . 4 ]" 2 650 1 38 PHE QD 1 48 ILE HA 4.073 . 5.500 5.234 4.720 5.616 0.116 24 0 "[ . 1 . 2 . 3 . 4 ]" 2 651 1 31 HIS H 1 31 HIS HD2 3.256 . 4.250 3.113 2.138 4.356 0.106 26 0 "[ . 1 . 2 . 3 . 4 ]" 2 652 1 28 LEU HA 1 31 HIS HD2 4.226 . 5.500 4.007 2.554 5.779 0.279 26 0 "[ . 1 . 2 . 3 . 4 ]" 2 653 1 10 ASN H 1 10 ASN QD 4.974 . 5.875 4.026 1.752 5.501 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 654 1 39 TYR QD 1 44 ASN HA 3.033 . 4.000 4.005 3.670 4.359 0.359 40 0 "[ . 1 . 2 . 3 . 4 ]" 2 655 1 8 TYR QB 1 8 TYR QE 3.675 . 5.500 3.847 2.502 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 656 1 8 TYR QE 1 30 LYS QE 3.355 . 4.250 3.544 2.265 4.312 0.062 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 657 1 8 TYR QE 1 9 GLU QG 3.521 . 5.500 4.997 3.468 5.661 0.161 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 658 1 39 TYR H 1 39 TYR QE 3.706 . 5.500 4.693 3.670 5.448 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 659 1 39 TYR QE 1 43 ARG HA 3.721 . 5.500 3.946 2.254 5.595 0.095 37 0 "[ . 1 . 2 . 3 . 4 ]" 2 660 1 25 ASP HA 1 26 CYS H 3.825 . 5.500 3.581 3.549 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 661 1 38 PHE H 1 46 GLN QB 4.041 . 5.500 3.941 3.164 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 662 1 40 ASP H 1 41 GLU H 4.268 . 5.500 4.166 2.688 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 663 1 35 GLY H 1 49 CYS HA 4.312 . 5.500 4.369 3.875 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 664 1 6 LYS H 1 49 CYS H 4.020 . 5.500 3.163 2.704 3.940 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 665 1 8 TYR H 1 46 GLN H 3.679 . 5.500 3.601 2.836 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 666 1 37 CYS HA 1 46 GLN H 3.858 . 5.500 4.242 3.218 5.039 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 667 1 11 TYR QE 1 15 LYS H 3.843 . 5.500 4.376 3.291 5.619 0.119 13 0 "[ . 1 . 2 . 3 . 4 ]" 2 668 1 21 GLN H 1 23 ASN H 5.103 . 5.603 4.405 3.887 5.023 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 669 1 21 GLN H 1 24 TYR QD 3.491 . 4.250 4.152 3.335 4.300 0.050 23 0 "[ . 1 . 2 . 3 . 4 ]" 2 670 1 17 GLN QG 1 18 LEU H 3.459 . 4.250 4.162 3.387 4.406 0.157 39 0 "[ . 1 . 2 . 3 . 4 ]" 2 671 1 51 TYR QD 1 52 CYS H 3.836 . 5.500 4.421 3.870 5.029 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 672 1 24 TYR QE 1 28 LEU HG 3.891 . 5.500 4.631 2.562 5.522 0.022 11 0 "[ . 1 . 2 . 3 . 4 ]" 2 673 1 54 TYR QB 1 54 TYR QE 3.394 . 4.250 3.947 3.928 3.971 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 674 1 8 TYR QE 1 29 ASP H 3.849 . 5.500 4.807 3.749 5.461 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 675 1 8 TYR QE 1 12 PRO QD 3.804 . 7.280 4.689 2.521 6.563 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 676 1 21 GLN QE 1 25 ASP H 4.181 . 5.500 5.067 3.455 5.512 0.012 42 0 "[ . 1 . 2 . 3 . 4 ]" 2 677 1 35 GLY H 1 36 GLU HA 4.022 . 5.500 4.306 3.999 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 678 1 39 TYR QD 1 46 GLN H 4.087 . 5.500 5.345 4.672 5.641 0.141 1 0 "[ . 1 . 2 . 3 . 4 ]" 2 679 1 27 LYS H 1 49 CYS QB 4.114 . 5.500 4.569 4.101 5.498 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 680 1 27 LYS H 1 31 HIS HA 3.926 . 5.500 2.737 2.416 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 ]" 2 stop_ save_
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