NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
634517 | 6gvu | 34291 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gvu 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 1595 _Distance_constraint_stats_list.Viol_count 2904 _Distance_constraint_stats_list.Viol_total 3594.237 _Distance_constraint_stats_list.Viol_max 0.820 _Distance_constraint_stats_list.Viol_rms 0.0268 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0056 _Distance_constraint_stats_list.Viol_average_violations_only 0.0619 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 4.273 0.217 19 0 "[ . 1 . 2]" 1 2 DT 4.102 0.217 19 0 "[ . 1 . 2]" 1 3 DG 7.378 0.225 12 0 "[ . 1 . 2]" 1 4 DT 19.996 0.820 6 2 "[- .+ 1 . 2]" 1 5 DG 10.844 0.148 14 0 "[ . 1 . 2]" 1 6 DC 11.403 0.205 9 0 "[ . 1 . 2]" 1 7 DT 23.196 0.667 9 20 [********+*-*********] 1 8 DC 10.878 0.251 15 0 "[ . 1 . 2]" 1 9 DA 5.155 0.251 15 0 "[ . 1 . 2]" 2 2 VAL 1.122 0.122 5 0 "[ . 1 . 2]" 2 3 VAL 0.242 0.186 15 0 "[ . 1 . 2]" 2 4 GLU 0.347 0.186 15 0 "[ . 1 . 2]" 2 5 PHE 0.834 0.095 4 0 "[ . 1 . 2]" 2 6 GLU 2.927 0.122 5 0 "[ . 1 . 2]" 2 7 GLU 1.743 0.113 10 0 "[ . 1 . 2]" 2 8 LEU 2.190 0.195 6 0 "[ . 1 . 2]" 2 9 ARG 1.530 0.195 6 0 "[ . 1 . 2]" 2 10 LYS 2.432 0.103 7 0 "[ . 1 . 2]" 2 11 GLU 5.326 0.166 7 0 "[ . 1 . 2]" 2 12 LEU 0.132 0.042 4 0 "[ . 1 . 2]" 2 13 VAL 1.333 0.103 7 0 "[ . 1 . 2]" 2 14 LYS 0.797 0.271 7 0 "[ . 1 . 2]" 2 15 ARG 5.889 0.160 1 0 "[ . 1 . 2]" 2 16 ASP 1.522 0.111 6 0 "[ . 1 . 2]" 2 17 SER 0.258 0.065 13 0 "[ . 1 . 2]" 2 18 GLY 1.557 0.158 7 0 "[ . 1 . 2]" 2 19 LYS 1.990 0.162 11 0 "[ . 1 . 2]" 2 21 VAL 5.328 0.239 7 0 "[ . 1 . 2]" 2 22 GLU 0.986 0.175 4 0 "[ . 1 . 2]" 2 23 LYS 1.099 0.159 18 0 "[ . 1 . 2]" 2 24 ILE 2.157 0.182 6 0 "[ . 1 . 2]" 2 25 LYS 5.194 0.171 14 0 "[ . 1 . 2]" 2 26 GLU 1.174 0.171 14 0 "[ . 1 . 2]" 2 27 GLU 1.637 0.067 5 0 "[ . 1 . 2]" 2 28 ILE 1.906 0.130 15 0 "[ . 1 . 2]" 2 29 CYS 1.155 0.078 3 0 "[ . 1 . 2]" 2 30 THR 0.997 0.078 3 0 "[ . 1 . 2]" 2 31 LYS 0.390 0.054 1 0 "[ . 1 . 2]" 2 37 ILE 2.176 0.203 18 0 "[ . 1 . 2]" 2 39 GLU 0.401 0.110 18 0 "[ . 1 . 2]" 2 40 ILE 5.612 0.152 3 0 "[ . 1 . 2]" 2 41 ILE 3.916 0.232 7 0 "[ . 1 . 2]" 2 42 CYS 1.359 0.232 7 0 "[ . 1 . 2]" 2 43 GLU 2.897 0.148 6 0 "[ . 1 . 2]" 2 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 2 45 LYS 1.310 0.111 17 0 "[ . 1 . 2]" 2 46 THR 6.414 0.215 6 0 "[ . 1 . 2]" 2 47 TYR 6.842 0.215 6 0 "[ . 1 . 2]" 2 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 2 49 ASP 1.643 0.104 2 0 "[ . 1 . 2]" 2 50 VAL 3.958 0.104 2 0 "[ . 1 . 2]" 2 51 ASN 1.891 0.128 17 0 "[ . 1 . 2]" 2 52 ILE 1.045 0.077 17 0 "[ . 1 . 2]" 2 53 ASP 1.579 0.166 6 0 "[ . 1 . 2]" 2 54 ARG 0.859 0.250 17 0 "[ . 1 . 2]" 2 55 SER 3.566 0.820 6 2 "[- .+ 1 . 2]" 2 56 ARG 4.002 0.171 1 0 "[ . 1 . 2]" 2 57 GLY 0.062 0.030 4 0 "[ . 1 . 2]" 2 58 ASP 2.551 0.094 16 0 "[ . 1 . 2]" 2 59 TRP 7.580 0.166 12 0 "[ . 1 . 2]" 2 60 HIS 4.522 0.171 1 0 "[ . 1 . 2]" 2 61 VAL 1.610 0.094 16 0 "[ . 1 . 2]" 2 62 ILE 1.677 0.074 19 0 "[ . 1 . 2]" 2 63 LEU 1.167 0.081 8 0 "[ . 1 . 2]" 2 64 TYR 1.145 0.127 11 0 "[ . 1 . 2]" 2 65 LEU 3.780 0.145 10 0 "[ . 1 . 2]" 2 67 LYS 1.526 0.262 5 0 "[ . 1 . 2]" 2 68 HIS 1.608 0.382 19 0 "[ . 1 . 2]" 2 69 GLY 0.212 0.088 2 0 "[ . 1 . 2]" 2 70 VAL 3.272 0.160 1 0 "[ . 1 . 2]" 2 71 THR 2.093 0.120 10 0 "[ . 1 . 2]" 2 72 ASP 0.691 0.105 5 0 "[ . 1 . 2]" 2 74 ASP 0.378 0.123 7 0 "[ . 1 . 2]" 2 75 LYS 4.455 0.273 2 0 "[ . 1 . 2]" 2 76 ILE 3.135 0.167 1 0 "[ . 1 . 2]" 2 77 LEU 3.627 0.165 11 0 "[ . 1 . 2]" 2 78 GLU 1.751 0.218 7 0 "[ . 1 . 2]" 2 79 LEU 0.403 0.067 7 0 "[ . 1 . 2]" 2 80 LEU 0.367 0.073 6 0 "[ . 1 . 2]" 2 82 ARG 2.070 0.160 6 0 "[ . 1 . 2]" 2 83 ASP 1.338 0.145 5 0 "[ . 1 . 2]" 2 84 SER 0.105 0.105 2 0 "[ . 1 . 2]" 2 85 LYS 3.644 0.243 12 0 "[ . 1 . 2]" 2 86 ALA 8.220 0.230 3 0 "[ . 1 . 2]" 2 87 LYS 2.113 0.165 11 0 "[ . 1 . 2]" 2 88 GLU 0.865 0.178 11 0 "[ . 1 . 2]" 2 89 ASN 0.857 0.178 11 0 "[ . 1 . 2]" 2 91 LYS 1.188 0.171 6 0 "[ . 1 . 2]" 2 92 TRP 1.180 0.171 6 0 "[ . 1 . 2]" 2 94 THR 1.697 0.159 12 0 "[ . 1 . 2]" 2 95 GLN 0.049 0.032 19 0 "[ . 1 . 2]" 2 96 LYS 0.672 0.141 1 0 "[ . 1 . 2]" 2 97 TYR 3.190 0.197 9 0 "[ . 1 . 2]" 2 98 PHE 3.401 0.163 14 0 "[ . 1 . 2]" 2 99 VAL 0.708 0.095 4 0 "[ . 1 . 2]" 2 100 ILE 3.582 0.118 13 0 "[ . 1 . 2]" 2 101 THR 1.192 0.121 9 0 "[ . 1 . 2]" 2 102 LEU 1.202 0.121 9 0 "[ . 1 . 2]" 2 103 SER 1.441 0.111 17 0 "[ . 1 . 2]" 2 104 LYS 3.317 0.128 4 0 "[ . 1 . 2]" 2 105 ALA 2.668 0.120 10 0 "[ . 1 . 2]" 2 106 TRP 9.645 0.149 2 0 "[ . 1 . 2]" 2 107 SER 0.690 0.079 20 0 "[ . 1 . 2]" 2 108 VAL 1.321 0.106 19 0 "[ . 1 . 2]" 2 109 VAL 1.005 0.120 15 0 "[ . 1 . 2]" 2 110 LYS 4.011 0.149 2 0 "[ . 1 . 2]" 2 111 LYS 3.055 0.126 14 0 "[ . 1 . 2]" 2 112 TYR 3.966 0.118 1 0 "[ . 1 . 2]" 2 113 LEU 0.616 0.206 5 0 "[ . 1 . 2]" 2 114 GLU 1.606 0.119 20 0 "[ . 1 . 2]" 2 115 ALA 1.531 0.119 20 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 2 114 GLU H 2 115 ALA H . . 3.960 4.032 3.961 4.079 0.119 20 0 "[ . 1 . 2]" 1 2 2 115 ALA H 2 115 ALA MB . . 3.640 2.654 2.222 2.715 . 0 0 "[ . 1 . 2]" 1 3 2 106 TRP QB 2 106 TRP HE1 . . 4.740 4.388 4.378 4.397 . 0 0 "[ . 1 . 2]" 1 4 2 11 GLU HB3 2 106 TRP HE1 . . 4.680 3.395 3.177 3.525 . 0 0 "[ . 1 . 2]" 1 5 2 106 TRP HE1 2 110 LYS QD . . 3.630 2.359 2.200 2.540 . 0 0 "[ . 1 . 2]" 1 6 2 106 TRP HE1 2 110 LYS HB2 . . 4.420 3.601 3.459 3.766 . 0 0 "[ . 1 . 2]" 1 7 2 12 LEU QD 2 106 TRP HE1 . . 4.850 4.090 3.382 4.632 . 0 0 "[ . 1 . 2]" 1 8 2 53 ASP H 2 53 ASP HB2 . . 3.620 2.554 2.394 2.674 . 0 0 "[ . 1 . 2]" 1 9 2 53 ASP H 2 53 ASP HB3 . . 3.620 3.220 2.276 3.599 . 0 0 "[ . 1 . 2]" 1 10 2 52 ILE HG12 2 53 ASP H . . 3.600 2.392 2.216 2.524 . 0 0 "[ . 1 . 2]" 1 11 2 52 ILE HG13 2 53 ASP H . . 3.600 2.438 2.302 2.565 . 0 0 "[ . 1 . 2]" 1 12 2 52 ILE MD 2 53 ASP H . . 4.000 3.860 3.782 3.969 . 0 0 "[ . 1 . 2]" 1 13 2 56 ARG H 2 58 ASP H . . 5.080 4.230 4.132 4.334 . 0 0 "[ . 1 . 2]" 1 14 2 55 SER HB2 2 56 ARG H . . 4.650 3.449 2.462 3.969 . 0 0 "[ . 1 . 2]" 1 15 2 56 ARG H 2 56 ARG QB . . 3.020 2.179 2.046 2.366 . 0 0 "[ . 1 . 2]" 1 16 2 54 ARG H 2 57 GLY H . . 5.090 4.598 4.509 4.722 . 0 0 "[ . 1 . 2]" 1 17 2 53 ASP HA 2 54 ARG H . . 3.040 2.240 2.178 2.293 . 0 0 "[ . 1 . 2]" 1 18 2 67 LYS HA 2 70 VAL H . . 5.040 4.961 4.800 5.095 0.055 15 0 "[ . 1 . 2]" 1 19 2 70 VAL H 2 70 VAL HB . . 3.550 3.400 2.797 3.561 0.011 20 0 "[ . 1 . 2]" 1 20 2 105 ALA H 2 107 SER H . . 5.060 3.962 3.914 4.002 . 0 0 "[ . 1 . 2]" 1 21 2 59 TRP HZ3 2 105 ALA H . . 3.990 2.572 2.455 2.710 . 0 0 "[ . 1 . 2]" 1 22 2 59 TRP HH2 2 105 ALA H . . 4.490 3.429 3.273 3.547 . 0 0 "[ . 1 . 2]" 1 23 2 102 LEU HA 2 105 ALA H . . 4.500 3.810 3.444 3.984 . 0 0 "[ . 1 . 2]" 1 24 2 104 LYS HB3 2 105 ALA H . . 3.730 3.753 3.562 3.842 0.112 9 0 "[ . 1 . 2]" 1 25 2 104 LYS QD 2 105 ALA H . . 4.930 4.695 4.330 4.874 . 0 0 "[ . 1 . 2]" 1 26 2 97 TYR QD 2 98 PHE H . . 4.220 3.680 3.443 3.830 . 0 0 "[ . 1 . 2]" 1 27 2 95 GLN HA 2 98 PHE H . . 4.140 3.254 3.044 3.443 . 0 0 "[ . 1 . 2]" 1 28 2 104 LYS H 2 105 ALA H . . 3.420 2.530 2.497 2.550 . 0 0 "[ . 1 . 2]" 1 29 2 59 TRP HH2 2 104 LYS H . . 4.950 4.623 4.491 4.747 . 0 0 "[ . 1 . 2]" 1 30 2 97 TYR HB3 2 98 PHE H . . 3.450 2.978 2.836 3.130 . 0 0 "[ . 1 . 2]" 1 31 2 98 PHE H 2 98 PHE HB2 . . 4.000 2.555 2.376 2.648 . 0 0 "[ . 1 . 2]" 1 32 2 86 ALA MB 2 98 PHE H . . 4.660 4.248 3.946 4.662 0.002 14 0 "[ . 1 . 2]" 1 33 2 98 PHE H 2 99 VAL QG . . 4.930 4.106 3.988 4.214 . 0 0 "[ . 1 . 2]" 1 34 2 103 SER H 2 104 LYS H . . 3.530 2.605 2.574 2.654 . 0 0 "[ . 1 . 2]" 1 35 2 100 ILE HA 2 104 LYS H . . 4.810 3.868 3.714 3.960 . 0 0 "[ . 1 . 2]" 1 36 2 102 LEU HA 2 104 LYS H . . 5.480 4.689 4.587 4.791 . 0 0 "[ . 1 . 2]" 1 37 2 104 LYS H 2 104 LYS HB2 . . 3.210 2.350 2.178 2.427 . 0 0 "[ . 1 . 2]" 1 38 2 104 LYS H 2 104 LYS QD . . 3.710 3.146 2.346 3.564 . 0 0 "[ . 1 . 2]" 1 39 2 104 LYS H 2 104 LYS QG . . 4.110 2.705 2.275 3.607 . 0 0 "[ . 1 . 2]" 1 40 2 104 LYS H 2 105 ALA MB . . 4.300 4.239 4.206 4.276 . 0 0 "[ . 1 . 2]" 1 41 2 47 TYR H 2 47 TYR HD1 . . 4.490 4.032 3.921 4.218 . 0 0 "[ . 1 . 2]" 1 42 2 47 TYR H 2 47 TYR HE2 . . 4.770 3.986 3.734 4.180 . 0 0 "[ . 1 . 2]" 1 43 2 46 THR HB 2 47 TYR H . . 3.300 2.362 1.961 2.610 . 0 0 "[ . 1 . 2]" 1 44 2 46 THR HA 2 47 TYR H . . 3.550 2.673 2.611 2.715 . 0 0 "[ . 1 . 2]" 1 45 2 47 TYR H 2 47 TYR HB3 . . 4.010 3.527 3.467 3.548 . 0 0 "[ . 1 . 2]" 1 46 2 29 CYS H 2 31 LYS H . . 4.580 4.149 4.078 4.222 . 0 0 "[ . 1 . 2]" 1 47 2 30 THR HB 2 31 LYS H . . 4.260 4.264 4.203 4.314 0.054 1 0 "[ . 1 . 2]" 1 48 2 29 CYS HA 2 31 LYS H . . 4.690 3.750 3.614 4.146 . 0 0 "[ . 1 . 2]" 1 49 2 28 ILE HA 2 31 LYS H . . 3.960 3.679 3.268 3.935 . 0 0 "[ . 1 . 2]" 1 50 2 31 LYS H 2 31 LYS HB3 . . 3.700 3.638 3.604 3.705 0.005 1 0 "[ . 1 . 2]" 1 51 2 31 LYS H 2 31 LYS HG2 . . 3.940 3.073 2.153 3.853 . 0 0 "[ . 1 . 2]" 1 52 2 31 LYS H 2 31 LYS HG3 . . 3.940 3.064 2.148 3.988 0.048 1 0 "[ . 1 . 2]" 1 53 2 47 TYR H 2 48 ALA H . . 3.490 2.678 2.600 2.729 . 0 0 "[ . 1 . 2]" 1 54 2 46 THR HB 2 48 ALA H . . 3.590 2.540 2.318 2.780 . 0 0 "[ . 1 . 2]" 1 55 2 47 TYR HB3 2 48 ALA H . . 4.380 4.133 3.928 4.206 . 0 0 "[ . 1 . 2]" 1 56 2 46 THR MG 2 48 ALA H . . 4.430 3.793 3.378 4.325 . 0 0 "[ . 1 . 2]" 1 57 2 46 THR HA 2 48 ALA H . . 4.680 4.343 4.220 4.633 . 0 0 "[ . 1 . 2]" 1 58 2 48 ALA H 2 48 ALA MB . . 2.960 2.206 2.195 2.227 . 0 0 "[ . 1 . 2]" 1 59 2 31 LYS H 2 31 LYS HB2 . . 3.700 2.466 2.350 2.537 . 0 0 "[ . 1 . 2]" 1 60 2 28 ILE MG 2 31 LYS H . . 5.100 4.350 3.987 4.605 . 0 0 "[ . 1 . 2]" 1 61 2 21 VAL H 2 75 LYS HA . . 4.830 4.532 3.324 5.069 0.239 7 0 "[ . 1 . 2]" 1 62 2 21 VAL H 2 21 VAL MG2 . . 3.770 2.682 1.713 3.727 . 0 0 "[ . 1 . 2]" 1 63 2 3 VAL H 2 4 GLU H . . 4.630 2.606 2.526 2.673 . 0 0 "[ . 1 . 2]" 1 64 2 4 GLU H 2 4 GLU QG . . 3.930 3.034 1.875 3.988 0.058 15 0 "[ . 1 . 2]" 1 65 2 4 GLU H 2 4 GLU QB . . 3.450 2.381 2.214 2.678 . 0 0 "[ . 1 . 2]" 1 66 2 3 VAL QG 2 4 GLU H . . 4.130 2.785 2.260 3.402 . 0 0 "[ . 1 . 2]" 1 67 2 5 PHE HA 2 8 LEU H . . 4.290 3.322 3.160 3.513 . 0 0 "[ . 1 . 2]" 1 68 2 7 GLU QB 2 8 LEU H . . 3.430 2.704 2.594 2.862 . 0 0 "[ . 1 . 2]" 1 69 2 8 LEU H 2 8 LEU HB2 . . 3.580 2.331 2.119 3.607 0.027 6 0 "[ . 1 . 2]" 1 70 2 8 LEU H 2 8 LEU HB3 . . 3.580 3.447 2.447 3.588 0.008 8 0 "[ . 1 . 2]" 1 71 2 8 LEU H 2 8 LEU HG . . 5.070 2.995 2.342 4.159 . 0 0 "[ . 1 . 2]" 1 72 2 8 LEU H 2 8 LEU QD . . 4.350 2.978 2.404 3.722 . 0 0 "[ . 1 . 2]" 1 73 2 5 PHE H 2 5 PHE QB . . 3.880 2.213 2.154 2.295 . 0 0 "[ . 1 . 2]" 1 74 2 4 GLU QB 2 5 PHE H . . 4.420 2.866 2.707 3.689 . 0 0 "[ . 1 . 2]" 1 75 2 24 ILE H 2 25 LYS H . . 3.540 2.564 2.487 2.640 . 0 0 "[ . 1 . 2]" 1 76 2 24 ILE H 2 26 GLU H . . 4.940 4.147 3.935 4.347 . 0 0 "[ . 1 . 2]" 1 77 2 21 VAL HA 2 24 ILE H . . 3.590 3.005 2.797 3.170 . 0 0 "[ . 1 . 2]" 1 78 2 24 ILE H 2 24 ILE HB . . 3.540 2.359 2.203 2.433 . 0 0 "[ . 1 . 2]" 1 79 2 24 ILE H 2 24 ILE HG12 . . 4.100 3.528 3.317 3.928 . 0 0 "[ . 1 . 2]" 1 80 2 24 ILE H 2 24 ILE HG13 . . 4.100 2.369 2.078 3.933 . 0 0 "[ . 1 . 2]" 1 81 2 2 VAL H 2 3 VAL H . . 4.390 2.654 2.554 2.768 . 0 0 "[ . 1 . 2]" 1 82 2 3 VAL H 2 3 VAL HB . . 3.690 2.699 2.405 3.627 . 0 0 "[ . 1 . 2]" 1 83 2 2 VAL QG 2 3 VAL H . . 3.720 3.111 2.349 3.458 . 0 0 "[ . 1 . 2]" 1 84 2 3 VAL H 2 3 VAL QG . . 3.830 2.041 1.773 2.205 . 0 0 "[ . 1 . 2]" 1 85 2 6 GLU H 2 8 LEU H . . 5.250 4.049 3.798 4.220 . 0 0 "[ . 1 . 2]" 1 86 2 22 GLU HA 2 24 ILE H . . 4.920 4.364 4.092 4.541 . 0 0 "[ . 1 . 2]" 1 87 2 94 THR H 2 95 GLN H . . 4.330 2.543 2.447 2.711 . 0 0 "[ . 1 . 2]" 1 88 2 16 ASP H 2 17 SER H . . 4.750 4.634 4.580 4.657 . 0 0 "[ . 1 . 2]" 1 89 2 16 ASP H 2 71 THR H . . 5.010 4.472 4.362 4.628 . 0 0 "[ . 1 . 2]" 1 90 2 15 ARG H 2 16 ASP H . . 3.190 2.601 2.562 2.647 . 0 0 "[ . 1 . 2]" 1 91 2 14 LYS HA 2 16 ASP H . . 5.140 3.571 3.380 3.841 . 0 0 "[ . 1 . 2]" 1 92 2 13 VAL HA 2 16 ASP H . . 3.950 3.719 3.382 3.968 0.018 5 0 "[ . 1 . 2]" 1 93 2 16 ASP H 2 16 ASP HB2 . . 2.930 2.654 2.587 2.705 . 0 0 "[ . 1 . 2]" 1 94 2 15 ARG HB2 2 16 ASP H . . 4.420 3.638 3.545 3.759 . 0 0 "[ . 1 . 2]" 1 95 2 14 LYS QB 2 16 ASP H . . 4.780 4.552 4.475 4.643 . 0 0 "[ . 1 . 2]" 1 96 2 15 ARG QG 2 16 ASP H . . 4.750 4.574 4.405 4.742 . 0 0 "[ . 1 . 2]" 1 97 2 15 ARG HB3 2 16 ASP H . . 4.420 4.156 3.854 4.323 . 0 0 "[ . 1 . 2]" 1 98 2 2 VAL H 2 2 VAL HB . . 4.140 2.499 2.360 2.585 . 0 0 "[ . 1 . 2]" 1 99 2 2 VAL H 2 2 VAL QG . . 3.850 2.019 1.862 2.236 . 0 0 "[ . 1 . 2]" 1 100 2 98 PHE H 2 100 ILE H . . 4.360 3.987 3.896 4.071 . 0 0 "[ . 1 . 2]" 1 101 2 100 ILE H 2 102 LEU H . . 4.800 4.110 4.012 4.200 . 0 0 "[ . 1 . 2]" 1 102 2 98 PHE HA 2 100 ILE H . . 4.600 4.233 4.198 4.299 . 0 0 "[ . 1 . 2]" 1 103 2 100 ILE H 2 103 SER QB . . 5.180 4.739 4.634 4.848 . 0 0 "[ . 1 . 2]" 1 104 2 100 ILE H 2 100 ILE HB . . 3.040 2.274 2.227 2.326 . 0 0 "[ . 1 . 2]" 1 105 2 99 VAL QG 2 100 ILE H . . 3.670 3.096 2.453 3.405 . 0 0 "[ . 1 . 2]" 1 106 2 19 LYS H 2 19 LYS QE . . 4.680 3.918 3.258 4.702 0.022 19 0 "[ . 1 . 2]" 1 107 2 19 LYS H 2 19 LYS QB . . 3.010 2.508 2.360 3.089 0.079 13 0 "[ . 1 . 2]" 1 108 2 19 LYS H 2 24 ILE MD . . 4.630 3.988 3.455 4.606 . 0 0 "[ . 1 . 2]" 1 109 2 71 THR H 2 72 ASP H . . 4.460 4.381 4.216 4.421 . 0 0 "[ . 1 . 2]" 1 110 2 16 ASP HA 2 72 ASP H . . 5.500 5.242 5.116 5.431 . 0 0 "[ . 1 . 2]" 1 111 2 63 LEU H 2 65 LEU H . . 5.010 4.200 4.100 4.279 . 0 0 "[ . 1 . 2]" 1 112 2 65 LEU H 2 67 LYS H . . 5.250 3.933 3.828 3.998 . 0 0 "[ . 1 . 2]" 1 113 2 64 TYR H 2 65 LEU H . . 3.640 2.551 2.451 2.672 . 0 0 "[ . 1 . 2]" 1 114 2 64 TYR QD 2 65 LEU H . . 4.300 3.717 3.224 4.126 . 0 0 "[ . 1 . 2]" 1 115 2 61 VAL HA 2 65 LEU H . . 5.340 3.888 3.652 4.163 . 0 0 "[ . 1 . 2]" 1 116 2 63 LEU HA 2 65 LEU H . . 5.500 4.614 4.474 4.759 . 0 0 "[ . 1 . 2]" 1 117 2 62 ILE HA 2 65 LEU H . . 4.360 3.546 3.327 3.782 . 0 0 "[ . 1 . 2]" 1 118 2 65 LEU H 2 65 LEU HB2 . . 3.130 2.309 2.262 2.351 . 0 0 "[ . 1 . 2]" 1 119 2 65 LEU H 2 65 LEU HB3 . . 3.770 3.556 3.526 3.570 . 0 0 "[ . 1 . 2]" 1 120 2 65 LEU H 2 65 LEU MD2 . . 3.720 3.730 3.617 3.788 0.068 7 0 "[ . 1 . 2]" 1 121 2 37 ILE MD 2 65 LEU H . . 5.140 4.504 3.773 5.033 . 0 0 "[ . 1 . 2]" 1 122 2 37 ILE H 2 37 ILE HB . . 3.410 2.386 2.166 2.490 . 0 0 "[ . 1 . 2]" 1 123 2 37 ILE H 2 37 ILE HG12 . . 4.910 2.334 2.091 3.981 . 0 0 "[ . 1 . 2]" 1 124 2 37 ILE H 2 37 ILE HG13 . . 4.910 3.660 3.550 4.083 . 0 0 "[ . 1 . 2]" 1 125 2 75 LYS H 2 76 ILE H . . 3.340 2.525 2.409 2.683 . 0 0 "[ . 1 . 2]" 1 126 2 74 ASP QB 2 75 LYS H . . 3.760 2.942 2.603 3.121 . 0 0 "[ . 1 . 2]" 1 127 2 75 LYS H 2 75 LYS HG2 . . 4.000 2.686 1.795 3.921 . 0 0 "[ . 1 . 2]" 1 128 2 75 LYS H 2 75 LYS HG3 . . 4.000 3.008 2.245 3.601 . 0 0 "[ . 1 . 2]" 1 129 2 106 TRP HA 2 108 VAL H . . 5.090 4.093 3.999 4.178 . 0 0 "[ . 1 . 2]" 1 130 2 107 SER HB3 2 108 VAL H . . 4.160 2.824 2.643 3.786 . 0 0 "[ . 1 . 2]" 1 131 2 105 ALA HA 2 108 VAL H . . 4.070 3.512 3.429 3.600 . 0 0 "[ . 1 . 2]" 1 132 2 108 VAL H 2 108 VAL HB . . 3.150 2.383 2.336 2.433 . 0 0 "[ . 1 . 2]" 1 133 2 108 VAL H 2 109 VAL HB . . 4.870 4.553 4.492 4.599 . 0 0 "[ . 1 . 2]" 1 134 2 108 VAL H 2 108 VAL MG1 . . 3.810 3.738 3.720 3.753 . 0 0 "[ . 1 . 2]" 1 135 2 108 VAL H 2 108 VAL MG2 . . 3.810 2.249 2.165 2.310 . 0 0 "[ . 1 . 2]" 1 136 2 96 LYS H 2 97 TYR HB3 . . 4.920 4.632 4.540 4.741 . 0 0 "[ . 1 . 2]" 1 137 2 106 TRP H 2 108 VAL H . . 5.060 4.197 4.134 4.256 . 0 0 "[ . 1 . 2]" 1 138 2 60 HIS H 2 61 VAL H . . 3.680 2.674 2.623 2.730 . 0 0 "[ . 1 . 2]" 1 139 2 58 ASP HA 2 61 VAL H . . 4.440 3.738 3.650 3.819 . 0 0 "[ . 1 . 2]" 1 140 2 60 HIS QB 2 61 VAL H . . 3.690 2.709 2.641 2.785 . 0 0 "[ . 1 . 2]" 1 141 2 61 VAL H 2 61 VAL HB . . 3.660 3.655 3.641 3.665 0.005 6 0 "[ . 1 . 2]" 1 142 2 61 VAL H 2 62 ILE HB . . 5.070 4.548 4.495 4.594 . 0 0 "[ . 1 . 2]" 1 143 2 61 VAL H 2 61 VAL MG2 . . 3.160 2.115 2.055 2.170 . 0 0 "[ . 1 . 2]" 1 144 2 61 VAL H 2 61 VAL MG1 . . 3.540 2.122 2.072 2.174 . 0 0 "[ . 1 . 2]" 1 145 2 37 ILE MD 2 61 VAL H . . 5.040 3.947 3.555 4.421 . 0 0 "[ . 1 . 2]" 1 146 2 95 GLN H 2 96 LYS H . . 4.490 2.461 2.397 2.534 . 0 0 "[ . 1 . 2]" 1 147 2 96 LYS H 2 97 TYR H . . 4.900 2.609 2.515 2.708 . 0 0 "[ . 1 . 2]" 1 148 2 96 LYS H 2 96 LYS QG . . 4.690 2.997 2.138 4.025 . 0 0 "[ . 1 . 2]" 1 149 2 110 LYS H 2 112 TYR H . . 4.780 4.018 3.949 4.114 . 0 0 "[ . 1 . 2]" 1 150 2 110 LYS H 2 113 LEU H . . 5.500 4.706 4.605 4.782 . 0 0 "[ . 1 . 2]" 1 151 2 106 TRP HA 2 110 LYS H . . 4.610 3.477 3.398 3.685 . 0 0 "[ . 1 . 2]" 1 152 2 107 SER HA 2 110 LYS H . . 4.670 3.767 3.556 3.880 . 0 0 "[ . 1 . 2]" 1 153 2 108 VAL HB 2 110 LYS H . . 5.440 5.069 4.992 5.153 . 0 0 "[ . 1 . 2]" 1 154 2 109 VAL HB 2 110 LYS H . . 3.750 2.770 2.685 2.881 . 0 0 "[ . 1 . 2]" 1 155 2 110 LYS H 2 110 LYS QD . . 4.960 4.383 4.311 4.612 . 0 0 "[ . 1 . 2]" 1 156 2 110 LYS H 2 110 LYS HB2 . . 3.200 2.486 2.434 2.542 . 0 0 "[ . 1 . 2]" 1 157 2 88 GLU H 2 88 GLU HB3 . . 3.860 3.569 3.502 3.605 . 0 0 "[ . 1 . 2]" 1 158 2 88 GLU H 2 89 ASN H . . 5.210 2.640 2.457 2.761 . 0 0 "[ . 1 . 2]" 1 159 2 85 LYS HA 2 88 GLU H . . 4.670 3.445 2.912 4.185 . 0 0 "[ . 1 . 2]" 1 160 2 52 ILE MD 2 58 ASP H . . 5.500 5.461 5.101 5.554 0.054 2 0 "[ . 1 . 2]" 1 161 2 57 GLY H 2 58 ASP H . . 3.670 2.717 2.652 2.797 . 0 0 "[ . 1 . 2]" 1 162 2 58 ASP H 2 58 ASP HB2 . . 3.770 2.423 2.298 2.482 . 0 0 "[ . 1 . 2]" 1 163 2 58 ASP H 2 58 ASP HB3 . . 3.770 3.535 2.586 3.601 . 0 0 "[ . 1 . 2]" 1 164 2 56 ARG QB 2 58 ASP H . . 4.880 4.920 4.855 4.969 0.089 2 0 "[ . 1 . 2]" 1 165 2 58 ASP H 2 61 VAL MG1 . . 5.050 5.079 5.022 5.108 0.058 20 0 "[ . 1 . 2]" 1 166 2 112 TYR HA 2 114 GLU H . . 4.780 3.964 3.622 4.425 . 0 0 "[ . 1 . 2]" 1 167 2 111 LYS HA 2 114 GLU H . . 4.830 3.655 3.304 3.970 . 0 0 "[ . 1 . 2]" 1 168 2 110 LYS HA 2 114 GLU H . . 4.810 4.189 3.674 4.510 . 0 0 "[ . 1 . 2]" 1 169 2 110 LYS HG2 2 114 GLU H . . 4.740 4.629 4.148 4.803 0.063 20 0 "[ . 1 . 2]" 1 170 2 113 LEU H 2 114 GLU H . . 3.560 2.344 2.186 2.458 . 0 0 "[ . 1 . 2]" 1 171 2 114 GLU H 2 114 GLU HB2 . . 4.020 2.616 2.342 3.653 . 0 0 "[ . 1 . 2]" 1 172 2 114 GLU H 2 114 GLU HB3 . . 4.020 3.068 2.417 3.692 . 0 0 "[ . 1 . 2]" 1 173 2 58 ASP H 2 61 VAL MG2 . . 5.030 4.419 4.346 4.514 . 0 0 "[ . 1 . 2]" 1 174 2 62 ILE H 2 65 LEU MD1 . . 4.190 4.187 3.817 4.264 0.074 19 0 "[ . 1 . 2]" 1 175 2 62 ILE H 2 62 ILE HB . . 3.250 2.272 2.233 2.296 . 0 0 "[ . 1 . 2]" 1 176 2 61 VAL MG2 2 62 ILE H . . 4.330 2.330 2.298 2.380 . 0 0 "[ . 1 . 2]" 1 177 2 23 LYS HA 2 27 GLU H . . 5.120 4.453 4.177 4.818 . 0 0 "[ . 1 . 2]" 1 178 2 27 GLU H 2 28 ILE HA . . 5.280 5.170 5.100 5.230 . 0 0 "[ . 1 . 2]" 1 179 2 24 ILE HA 2 27 GLU H . . 3.920 3.312 3.019 3.581 . 0 0 "[ . 1 . 2]" 1 180 2 27 GLU H 2 27 GLU HG2 . . 4.130 2.919 2.268 3.791 . 0 0 "[ . 1 . 2]" 1 181 2 26 GLU HG2 2 27 GLU H . . 5.370 4.454 2.807 5.100 . 0 0 "[ . 1 . 2]" 1 182 2 27 GLU H 2 28 ILE MD . . 5.110 5.037 4.755 5.154 0.044 11 0 "[ . 1 . 2]" 1 183 2 56 ARG HA 2 58 ASP H . . 5.240 4.464 4.304 4.592 . 0 0 "[ . 1 . 2]" 1 184 2 14 LYS H 2 16 ASP H . . 4.960 4.070 3.995 4.166 . 0 0 "[ . 1 . 2]" 1 185 2 8 LEU HA 2 11 GLU H . . 3.760 3.007 2.885 3.270 . 0 0 "[ . 1 . 2]" 1 186 2 14 LYS H 2 14 LYS QB . . 2.960 2.294 2.142 2.370 . 0 0 "[ . 1 . 2]" 1 187 2 13 VAL MG1 2 14 LYS H . . 4.060 2.488 2.412 2.546 . 0 0 "[ . 1 . 2]" 1 188 2 8 LEU H 2 11 GLU H . . 5.120 4.672 4.636 4.762 . 0 0 "[ . 1 . 2]" 1 189 2 12 LEU HA 2 14 LYS H . . 4.500 4.212 4.128 4.299 . 0 0 "[ . 1 . 2]" 1 190 2 11 GLU H 2 11 GLU HB2 . . 3.010 2.512 2.378 2.645 . 0 0 "[ . 1 . 2]" 1 191 2 10 LYS H 2 11 GLU H . . 3.320 2.489 2.450 2.534 . 0 0 "[ . 1 . 2]" 1 192 2 10 LYS HA 2 14 LYS H . . 4.790 4.248 4.089 4.351 . 0 0 "[ . 1 . 2]" 1 193 2 62 ILE H 2 65 LEU H . . 5.070 4.791 4.698 4.877 . 0 0 "[ . 1 . 2]" 1 194 2 62 ILE H 2 63 LEU H . . 3.430 2.639 2.598 2.673 . 0 0 "[ . 1 . 2]" 1 195 2 58 ASP HA 2 62 ILE H . . 4.750 4.110 4.011 4.257 . 0 0 "[ . 1 . 2]" 1 196 2 61 VAL HB 2 62 ILE H . . 4.030 4.026 3.985 4.074 0.044 6 0 "[ . 1 . 2]" 1 197 2 62 ILE H 2 62 ILE MD . . 3.680 3.528 3.429 3.575 . 0 0 "[ . 1 . 2]" 1 198 2 102 LEU H 2 103 SER H . . 3.550 2.592 2.509 2.623 . 0 0 "[ . 1 . 2]" 1 199 2 101 THR H 2 102 LEU H . . 3.720 2.613 2.583 2.654 . 0 0 "[ . 1 . 2]" 1 200 2 101 THR HB 2 102 LEU H . . 3.650 3.698 3.643 3.771 0.121 9 0 "[ . 1 . 2]" 1 201 2 102 LEU H 2 103 SER QB . . 4.340 4.338 4.277 4.361 0.021 8 0 "[ . 1 . 2]" 1 202 2 102 LEU H 2 102 LEU HG . . 3.330 2.372 2.262 2.505 . 0 0 "[ . 1 . 2]" 1 203 2 99 VAL QG 2 102 LEU H . . 4.840 4.346 4.234 4.469 . 0 0 "[ . 1 . 2]" 1 204 2 111 LYS HA 2 113 LEU H . . 5.040 4.235 3.914 4.478 . 0 0 "[ . 1 . 2]" 1 205 2 62 ILE H 2 64 TYR H . . 4.440 4.194 4.118 4.387 . 0 0 "[ . 1 . 2]" 1 206 2 60 HIS QB 2 62 ILE H . . 4.690 4.688 4.619 4.743 0.053 8 0 "[ . 1 . 2]" 1 207 2 110 LYS HA 2 113 LEU H . . 3.990 3.138 3.045 3.285 . 0 0 "[ . 1 . 2]" 1 208 2 112 TYR HB3 2 113 LEU H . . 4.210 3.916 3.708 4.068 . 0 0 "[ . 1 . 2]" 1 209 2 111 LYS H 2 113 LEU H . . 4.610 4.012 3.849 4.131 . 0 0 "[ . 1 . 2]" 1 210 2 78 GLU HA 2 80 LEU H . . 4.910 3.229 3.019 3.793 . 0 0 "[ . 1 . 2]" 1 211 2 63 LEU H 2 64 TYR H . . 3.710 2.700 2.663 2.746 . 0 0 "[ . 1 . 2]" 1 212 2 59 TRP HA 2 63 LEU H . . 3.970 4.007 3.971 4.051 0.081 8 0 "[ . 1 . 2]" 1 213 2 62 ILE HB 2 63 LEU H . . 3.640 2.881 2.836 2.945 . 0 0 "[ . 1 . 2]" 1 214 2 63 LEU H 2 63 LEU HB2 . . 3.930 2.245 2.205 2.274 . 0 0 "[ . 1 . 2]" 1 215 2 63 LEU H 2 63 LEU HB3 . . 3.930 3.537 3.517 3.558 . 0 0 "[ . 1 . 2]" 1 216 2 79 LEU HG 2 80 LEU H . . 5.500 4.357 3.775 5.531 0.031 4 0 "[ . 1 . 2]" 1 217 2 12 LEU HG 2 13 VAL H . . 5.350 4.694 4.498 5.243 . 0 0 "[ . 1 . 2]" 1 218 2 77 LEU MD1 2 86 ALA H . . 5.500 5.411 5.109 5.575 0.075 14 0 "[ . 1 . 2]" 1 219 2 10 LYS HA 2 13 VAL H . . 4.310 3.309 3.123 3.565 . 0 0 "[ . 1 . 2]" 1 220 2 13 VAL H 2 13 VAL MG1 . . 3.090 2.438 2.342 2.537 . 0 0 "[ . 1 . 2]" 1 221 2 109 VAL H 2 110 LYS H . . 3.360 2.597 2.529 2.637 . 0 0 "[ . 1 . 2]" 1 222 2 108 VAL H 2 109 VAL H . . 3.420 2.512 2.476 2.531 . 0 0 "[ . 1 . 2]" 1 223 2 109 VAL H 2 110 LYS HA . . 5.500 5.229 5.152 5.264 . 0 0 "[ . 1 . 2]" 1 224 2 108 VAL HB 2 109 VAL H . . 3.470 2.688 2.606 2.769 . 0 0 "[ . 1 . 2]" 1 225 2 109 VAL H 2 109 VAL HB . . 3.410 2.296 2.263 2.327 . 0 0 "[ . 1 . 2]" 1 226 2 109 VAL H 2 109 VAL MG2 . . 3.160 2.349 2.311 2.406 . 0 0 "[ . 1 . 2]" 1 227 2 21 VAL H 2 23 LYS H . . 4.980 4.419 4.153 4.671 . 0 0 "[ . 1 . 2]" 1 228 2 23 LYS H 2 26 GLU H . . 5.500 4.998 4.841 5.222 . 0 0 "[ . 1 . 2]" 1 229 2 21 VAL HA 2 23 LYS H . . 4.550 3.852 3.616 4.114 . 0 0 "[ . 1 . 2]" 1 230 2 23 LYS H 2 23 LYS HG3 . . 4.490 3.540 2.199 4.211 . 0 0 "[ . 1 . 2]" 1 231 2 23 LYS H 2 24 ILE H . . 3.100 2.317 2.265 2.406 . 0 0 "[ . 1 . 2]" 1 232 2 23 LYS H 2 23 LYS HB2 . . 3.690 2.461 2.153 2.548 . 0 0 "[ . 1 . 2]" 1 233 2 23 LYS H 2 24 ILE MD . . 4.900 4.676 3.184 4.930 0.030 3 0 "[ . 1 . 2]" 1 234 2 6 GLU H 2 9 ARG H . . 4.980 4.588 4.534 4.688 . 0 0 "[ . 1 . 2]" 1 235 2 8 LEU H 2 9 ARG H . . 3.390 2.469 2.429 2.516 . 0 0 "[ . 1 . 2]" 1 236 2 9 ARG H 2 10 LYS H . . 3.580 2.673 2.615 2.729 . 0 0 "[ . 1 . 2]" 1 237 2 9 ARG H 2 11 GLU H . . 4.460 3.933 3.835 3.993 . 0 0 "[ . 1 . 2]" 1 238 2 6 GLU HA 2 9 ARG H . . 4.170 3.148 2.976 3.316 . 0 0 "[ . 1 . 2]" 1 239 2 9 ARG H 2 9 ARG QD . . 4.970 4.391 4.194 4.776 . 0 0 "[ . 1 . 2]" 1 240 2 9 ARG H 2 9 ARG QB . . 3.250 2.189 2.146 2.243 . 0 0 "[ . 1 . 2]" 1 241 2 9 ARG H 2 10 LYS QG . . 4.630 4.246 4.139 4.334 . 0 0 "[ . 1 . 2]" 1 242 2 85 LYS H 2 86 ALA H . . 3.670 2.580 2.485 2.686 . 0 0 "[ . 1 . 2]" 1 243 2 86 ALA H 2 87 LYS H . . 3.510 2.549 2.379 2.686 . 0 0 "[ . 1 . 2]" 1 244 2 86 ALA H 2 88 GLU H . . 4.810 4.196 3.933 4.405 . 0 0 "[ . 1 . 2]" 1 245 2 84 SER QB 2 86 ALA H . . 4.470 3.235 2.531 3.723 . 0 0 "[ . 1 . 2]" 1 246 2 86 ALA H 2 86 ALA MB . . 3.070 2.229 2.213 2.248 . 0 0 "[ . 1 . 2]" 1 247 2 12 LEU H 2 13 VAL H . . 3.540 2.584 2.544 2.651 . 0 0 "[ . 1 . 2]" 1 248 2 13 VAL H 2 14 LYS H . . 3.330 2.546 2.462 2.639 . 0 0 "[ . 1 . 2]" 1 249 2 13 VAL H 2 13 VAL HB . . 3.140 2.407 2.338 2.464 . 0 0 "[ . 1 . 2]" 1 250 2 12 LEU HB2 2 13 VAL H . . 4.070 2.944 2.766 3.166 . 0 0 "[ . 1 . 2]" 1 251 2 12 LEU HB3 2 13 VAL H . . 4.070 3.762 3.540 3.938 . 0 0 "[ . 1 . 2]" 1 252 2 12 LEU QD 2 13 VAL H . . 5.120 4.209 4.059 4.299 . 0 0 "[ . 1 . 2]" 1 253 2 17 SER H 2 71 THR H . . 5.180 4.451 4.185 4.634 . 0 0 "[ . 1 . 2]" 1 254 2 16 ASP HA 2 17 SER H . . 3.150 2.205 2.178 2.236 . 0 0 "[ . 1 . 2]" 1 255 2 16 ASP HB2 2 17 SER H . . 4.540 4.153 4.082 4.264 . 0 0 "[ . 1 . 2]" 1 256 2 6 GLU H 2 7 GLU H . . 3.780 2.466 2.387 2.535 . 0 0 "[ . 1 . 2]" 1 257 2 5 PHE QB 2 6 GLU H . . 4.040 2.994 2.869 3.107 . 0 0 "[ . 1 . 2]" 1 258 2 6 GLU H 2 6 GLU QG . . 3.700 2.335 2.296 2.376 . 0 0 "[ . 1 . 2]" 1 259 2 6 GLU H 2 6 GLU HB2 . . 3.800 2.358 2.340 2.397 . 0 0 "[ . 1 . 2]" 1 260 2 6 GLU H 2 6 GLU HB3 . . 3.800 3.582 3.569 3.598 . 0 0 "[ . 1 . 2]" 1 261 2 12 LEU H 2 13 VAL MG1 . . 4.570 4.338 4.267 4.466 . 0 0 "[ . 1 . 2]" 1 262 2 104 LYS HA 2 106 TRP H . . 4.530 4.360 4.286 4.456 . 0 0 "[ . 1 . 2]" 1 263 2 12 LEU QD 2 106 TRP H . . 4.720 4.126 4.007 4.385 . 0 0 "[ . 1 . 2]" 1 264 2 10 LYS HA 2 12 LEU H . . 4.990 4.328 4.126 4.593 . 0 0 "[ . 1 . 2]" 1 265 2 10 LYS H 2 12 LEU H . . 4.820 4.128 4.045 4.218 . 0 0 "[ . 1 . 2]" 1 266 2 11 GLU H 2 12 LEU H . . 3.250 2.494 2.464 2.545 . 0 0 "[ . 1 . 2]" 1 267 2 8 LEU HA 2 12 LEU H . . 4.880 3.895 3.605 4.275 . 0 0 "[ . 1 . 2]" 1 268 2 11 GLU HB3 2 12 LEU H . . 3.330 2.739 2.659 2.850 . 0 0 "[ . 1 . 2]" 1 269 2 12 LEU H 2 12 LEU HB2 . . 3.700 2.303 2.152 2.397 . 0 0 "[ . 1 . 2]" 1 270 2 12 LEU H 2 12 LEU HB3 . . 3.700 3.546 3.462 3.586 . 0 0 "[ . 1 . 2]" 1 271 2 12 LEU H 2 12 LEU QD . . 3.890 3.010 2.387 3.197 . 0 0 "[ . 1 . 2]" 1 272 2 59 TRP H 2 60 HIS H . . 4.110 2.650 2.602 2.716 . 0 0 "[ . 1 . 2]" 1 273 2 58 ASP H 2 59 TRP H . . 4.020 2.637 2.514 2.761 . 0 0 "[ . 1 . 2]" 1 274 2 59 TRP H 2 59 TRP HD1 . . 5.000 4.644 4.568 4.698 . 0 0 "[ . 1 . 2]" 1 275 2 56 ARG HA 2 59 TRP H . . 4.240 3.259 3.008 3.518 . 0 0 "[ . 1 . 2]" 1 276 2 59 TRP H 2 59 TRP HB2 . . 3.500 2.666 2.626 2.751 . 0 0 "[ . 1 . 2]" 1 277 2 59 TRP H 2 59 TRP HB3 . . 3.500 2.275 2.246 2.313 . 0 0 "[ . 1 . 2]" 1 278 2 56 ARG QB 2 59 TRP H . . 5.290 4.805 4.612 4.972 . 0 0 "[ . 1 . 2]" 1 279 2 59 TRP H 2 61 VAL MG2 . . 5.040 4.413 4.303 4.526 . 0 0 "[ . 1 . 2]" 1 280 2 59 TRP H 2 62 ILE MD . . 5.110 4.265 3.936 4.483 . 0 0 "[ . 1 . 2]" 1 281 2 106 TRP H 2 109 VAL H . . 5.500 4.712 4.637 4.805 . 0 0 "[ . 1 . 2]" 1 282 2 106 TRP H 2 107 SER H . . 3.500 2.559 2.528 2.613 . 0 0 "[ . 1 . 2]" 1 283 2 106 TRP H 2 106 TRP QB . . 3.100 2.231 2.214 2.253 . 0 0 "[ . 1 . 2]" 1 284 2 105 ALA MB 2 106 TRP H . . 3.350 2.630 2.551 2.681 . 0 0 "[ . 1 . 2]" 1 285 2 24 ILE MG 2 26 GLU H . . 5.410 4.962 4.682 5.163 . 0 0 "[ . 1 . 2]" 1 286 2 51 ASN H 2 52 ILE H . . 3.250 2.842 2.787 2.892 . 0 0 "[ . 1 . 2]" 1 287 2 50 VAL H 2 51 ASN H . . 3.060 2.204 2.067 2.493 . 0 0 "[ . 1 . 2]" 1 288 2 47 TYR HA 2 51 ASN H . . 4.490 4.495 4.381 4.618 0.128 17 0 "[ . 1 . 2]" 1 289 2 51 ASN H 2 51 ASN HA . . 2.750 2.253 2.243 2.261 . 0 0 "[ . 1 . 2]" 1 290 2 48 ALA HA 2 51 ASN H . . 3.950 3.431 3.147 3.683 . 0 0 "[ . 1 . 2]" 1 291 2 51 ASN H 2 51 ASN HB2 . . 4.150 3.360 2.963 3.591 . 0 0 "[ . 1 . 2]" 1 292 2 51 ASN H 2 51 ASN HB3 . . 4.150 3.888 3.617 4.041 . 0 0 "[ . 1 . 2]" 1 293 2 50 VAL HB 2 51 ASN H . . 4.370 4.305 4.250 4.339 . 0 0 "[ . 1 . 2]" 1 294 2 50 VAL MG1 2 51 ASN H . . 3.800 3.070 2.924 3.184 . 0 0 "[ . 1 . 2]" 1 295 2 51 ASN H 2 52 ILE MG . . 4.510 4.029 3.960 4.112 . 0 0 "[ . 1 . 2]" 1 296 2 49 ASP H 2 52 ILE H . . 5.500 5.408 5.157 5.535 0.035 18 0 "[ . 1 . 2]" 1 297 2 47 TYR HD1 2 52 ILE H . . 5.500 5.081 4.800 5.453 . 0 0 "[ . 1 . 2]" 1 298 2 51 ASN HA 2 52 ILE H . . 3.160 2.892 2.799 3.002 . 0 0 "[ . 1 . 2]" 1 299 2 47 TYR HB3 2 52 ILE H . . 4.540 3.758 3.588 4.132 . 0 0 "[ . 1 . 2]" 1 300 2 52 ILE H 2 52 ILE HB . . 3.570 2.758 2.704 2.799 . 0 0 "[ . 1 . 2]" 1 301 2 50 VAL MG1 2 52 ILE H . . 3.680 2.301 2.166 2.359 . 0 0 "[ . 1 . 2]" 1 302 2 50 VAL MG2 2 52 ILE H . . 4.700 4.128 3.996 4.189 . 0 0 "[ . 1 . 2]" 1 303 2 52 ILE H 2 52 ILE MG . . 3.100 1.903 1.823 1.966 . 0 0 "[ . 1 . 2]" 1 304 2 78 GLU H 2 79 LEU H . . 3.140 2.558 2.425 2.687 . 0 0 "[ . 1 . 2]" 1 305 2 79 LEU H 2 80 LEU H . . 3.460 2.562 2.492 2.629 . 0 0 "[ . 1 . 2]" 1 306 2 79 LEU H 2 79 LEU HB2 . . 3.670 2.471 2.092 2.622 . 0 0 "[ . 1 . 2]" 1 307 2 79 LEU H 2 79 LEU HB3 . . 3.670 2.677 2.324 3.571 . 0 0 "[ . 1 . 2]" 1 308 2 79 LEU H 2 79 LEU MD1 . . 4.800 3.996 3.530 4.163 . 0 0 "[ . 1 . 2]" 1 309 2 23 LYS HA 2 26 GLU H . . 3.700 3.478 3.123 3.688 . 0 0 "[ . 1 . 2]" 1 310 2 26 GLU H 2 27 GLU H . . 3.270 2.458 2.361 2.536 . 0 0 "[ . 1 . 2]" 1 311 2 25 LYS H 2 26 GLU H . . 3.380 2.671 2.533 2.818 . 0 0 "[ . 1 . 2]" 1 312 2 26 GLU H 2 26 GLU HG2 . . 4.280 2.537 1.951 3.584 . 0 0 "[ . 1 . 2]" 1 313 2 26 GLU H 2 26 GLU QB . . 2.730 2.385 2.319 2.577 . 0 0 "[ . 1 . 2]" 1 314 2 25 LYS HB3 2 26 GLU H . . 4.190 3.160 2.548 4.264 0.074 15 0 "[ . 1 . 2]" 1 315 2 50 VAL MG2 2 51 ASN H . . 4.200 4.272 4.226 4.298 0.098 17 0 "[ . 1 . 2]" 1 316 2 97 TYR H 2 98 PHE H . . 3.940 2.620 2.550 2.706 . 0 0 "[ . 1 . 2]" 1 317 2 97 TYR H 2 97 TYR QD . . 4.370 4.107 4.031 4.165 . 0 0 "[ . 1 . 2]" 1 318 2 97 TYR H 2 97 TYR HB3 . . 3.450 2.278 2.222 2.324 . 0 0 "[ . 1 . 2]" 1 319 2 97 TYR H 2 97 TYR HB2 . . 3.840 2.794 2.712 2.923 . 0 0 "[ . 1 . 2]" 1 320 2 96 LYS QG 2 97 TYR H . . 4.730 3.987 3.406 4.560 . 0 0 "[ . 1 . 2]" 1 321 2 22 GLU H 2 24 ILE H . . 4.480 4.035 3.923 4.139 . 0 0 "[ . 1 . 2]" 1 322 2 22 GLU H 2 23 LYS H . . 3.390 2.650 2.549 2.781 . 0 0 "[ . 1 . 2]" 1 323 2 44 ASN HB2 2 45 LYS H . . 5.250 3.819 3.444 4.384 . 0 0 "[ . 1 . 2]" 1 324 2 67 LYS H 2 68 HIS H . . 3.600 2.575 2.491 2.638 . 0 0 "[ . 1 . 2]" 1 325 2 47 TYR H 2 49 ASP H . . 4.660 4.219 3.972 4.325 . 0 0 "[ . 1 . 2]" 1 326 2 48 ALA H 2 49 ASP H . . 3.520 2.530 2.485 2.573 . 0 0 "[ . 1 . 2]" 1 327 2 49 ASP H 2 51 ASN H . . 4.670 3.709 3.475 3.832 . 0 0 "[ . 1 . 2]" 1 328 2 49 ASP H 2 50 VAL H . . 3.410 2.362 2.318 2.417 . 0 0 "[ . 1 . 2]" 1 329 2 49 ASP H 2 49 ASP HB2 . . 3.800 2.407 2.346 2.707 . 0 0 "[ . 1 . 2]" 1 330 2 49 ASP H 2 49 ASP HB3 . . 3.800 3.544 2.399 3.620 . 0 0 "[ . 1 . 2]" 1 331 2 48 ALA MB 2 49 ASP H . . 3.220 2.949 2.910 3.009 . 0 0 "[ . 1 . 2]" 1 332 2 112 TYR H 2 112 TYR HB3 . . 3.530 3.564 3.485 3.604 0.074 3 0 "[ . 1 . 2]" 1 333 2 112 TYR H 2 112 TYR HB2 . . 3.300 2.283 2.166 2.343 . 0 0 "[ . 1 . 2]" 1 334 2 111 LYS HB3 2 112 TYR H . . 4.070 3.054 2.708 4.162 0.092 14 0 "[ . 1 . 2]" 1 335 2 111 LYS QG 2 112 TYR H . . 4.250 3.460 2.452 3.731 . 0 0 "[ . 1 . 2]" 1 336 2 109 VAL HA 2 112 TYR H . . 4.390 3.310 3.188 3.502 . 0 0 "[ . 1 . 2]" 1 337 2 21 VAL H 2 22 GLU H . . 3.880 2.690 2.543 2.775 . 0 0 "[ . 1 . 2]" 1 338 2 22 GLU H 2 25 LYS H . . 5.420 4.927 4.770 5.247 . 0 0 "[ . 1 . 2]" 1 339 2 22 GLU H 2 22 GLU QG . . 3.980 2.990 1.945 3.981 0.001 9 0 "[ . 1 . 2]" 1 340 2 22 GLU H 2 22 GLU QB . . 2.730 2.326 2.162 2.525 . 0 0 "[ . 1 . 2]" 1 341 2 21 VAL MG1 2 22 GLU H . . 4.260 3.389 2.429 4.187 . 0 0 "[ . 1 . 2]" 1 342 2 43 GLU HB3 2 45 LYS H . . 4.790 2.688 2.397 2.937 . 0 0 "[ . 1 . 2]" 1 343 2 46 THR HB 2 49 ASP H . . 4.660 3.908 3.248 4.377 . 0 0 "[ . 1 . 2]" 1 344 2 7 GLU H 2 9 ARG H . . 4.960 3.853 3.768 3.927 . 0 0 "[ . 1 . 2]" 1 345 2 7 GLU H 2 7 GLU QG . . 4.200 2.987 2.286 3.990 . 0 0 "[ . 1 . 2]" 1 346 2 7 GLU H 2 7 GLU QB . . 3.040 2.293 2.203 2.368 . 0 0 "[ . 1 . 2]" 1 347 2 108 VAL HA 2 112 TYR H . . 5.500 4.457 4.277 4.577 . 0 0 "[ . 1 . 2]" 1 348 2 47 TYR HA 2 49 ASP H . . 4.240 3.883 3.784 4.036 . 0 0 "[ . 1 . 2]" 1 349 2 98 PHE H 2 99 VAL H . . 3.880 2.653 2.542 2.723 . 0 0 "[ . 1 . 2]" 1 350 2 99 VAL H 2 99 VAL QG . . 3.130 2.295 2.094 2.433 . 0 0 "[ . 1 . 2]" 1 351 2 46 THR H 2 49 ASP H . . 3.940 3.133 3.001 3.363 . 0 0 "[ . 1 . 2]" 1 352 2 101 THR H 2 101 THR MG . . 3.810 2.239 2.117 2.316 . 0 0 "[ . 1 . 2]" 1 353 2 64 TYR H 2 64 TYR QD . . 4.200 4.150 4.103 4.192 . 0 0 "[ . 1 . 2]" 1 354 2 64 TYR H 2 65 LEU HB2 . . 5.110 4.590 4.441 4.745 . 0 0 "[ . 1 . 2]" 1 355 2 61 VAL HA 2 64 TYR H . . 5.390 3.253 3.102 3.414 . 0 0 "[ . 1 . 2]" 1 356 2 63 LEU HB2 2 64 TYR H . . 4.240 2.733 2.616 2.804 . 0 0 "[ . 1 . 2]" 1 357 2 63 LEU HB3 2 64 TYR H . . 4.240 3.405 3.246 3.498 . 0 0 "[ . 1 . 2]" 1 358 2 64 TYR H 2 65 LEU HG . . 4.510 4.478 4.388 4.564 0.054 15 0 "[ . 1 . 2]" 1 359 2 37 ILE MD 2 64 TYR H . . 4.870 3.832 3.547 4.430 . 0 0 "[ . 1 . 2]" 1 360 2 28 ILE H 2 29 CYS QB . . 5.020 4.121 3.907 4.366 . 0 0 "[ . 1 . 2]" 1 361 2 100 ILE H 2 101 THR H . . 3.580 2.664 2.620 2.705 . 0 0 "[ . 1 . 2]" 1 362 2 101 THR H 2 101 THR HB . . 3.690 3.585 3.574 3.602 . 0 0 "[ . 1 . 2]" 1 363 2 100 ILE HB 2 101 THR H . . 3.490 2.768 2.716 2.817 . 0 0 "[ . 1 . 2]" 1 364 2 25 LYS H 2 28 ILE H . . 4.970 4.869 4.734 4.958 . 0 0 "[ . 1 . 2]" 1 365 2 27 GLU HB2 2 28 ILE H . . 3.850 3.128 3.050 3.303 . 0 0 "[ . 1 . 2]" 1 366 2 25 LYS HA 2 28 ILE H . . 4.000 3.524 3.011 3.819 . 0 0 "[ . 1 . 2]" 1 367 2 27 GLU HB3 2 28 ILE H . . 4.050 3.942 3.834 4.021 . 0 0 "[ . 1 . 2]" 1 368 2 28 ILE H 2 28 ILE HG13 . . 2.980 2.746 2.564 2.861 . 0 0 "[ . 1 . 2]" 1 369 2 28 ILE H 2 28 ILE MG . . 3.910 3.687 3.624 3.725 . 0 0 "[ . 1 . 2]" 1 370 2 88 GLU QG 2 89 ASN H . . 5.400 4.290 3.999 4.603 . 0 0 "[ . 1 . 2]" 1 371 2 89 ASN H 2 94 THR MG . . 4.880 2.016 1.796 2.312 . 0 0 "[ . 1 . 2]" 1 372 2 76 ILE H 2 77 LEU H . . 4.050 2.589 2.484 2.720 . 0 0 "[ . 1 . 2]" 1 373 2 76 ILE H 2 76 ILE HB . . 3.220 2.316 2.210 2.487 . 0 0 "[ . 1 . 2]" 1 374 2 76 ILE H 2 76 ILE HG13 . . 3.260 2.602 2.050 3.427 0.167 1 0 "[ . 1 . 2]" 1 375 2 76 ILE H 2 78 GLU H . . 4.740 4.004 3.911 4.092 . 0 0 "[ . 1 . 2]" 1 376 2 25 LYS H 2 27 GLU H . . 4.020 4.053 3.943 4.087 0.067 5 0 "[ . 1 . 2]" 1 377 2 22 GLU HA 2 25 LYS H . . 4.550 3.729 3.270 4.155 . 0 0 "[ . 1 . 2]" 1 378 2 25 LYS H 2 26 GLU QB . . 5.500 4.725 4.524 4.933 . 0 0 "[ . 1 . 2]" 1 379 2 24 ILE HB 2 25 LYS H . . 3.210 2.832 2.610 3.009 . 0 0 "[ . 1 . 2]" 1 380 2 25 LYS H 2 25 LYS HB3 . . 3.740 2.439 2.250 2.761 . 0 0 "[ . 1 . 2]" 1 381 2 25 LYS H 2 25 LYS HG2 . . 4.330 3.867 1.852 4.382 0.052 11 0 "[ . 1 . 2]" 1 382 2 25 LYS H 2 25 LYS HG3 . . 4.430 3.793 1.803 4.486 0.056 8 0 "[ . 1 . 2]" 1 383 2 24 ILE MG 2 25 LYS H . . 3.640 3.496 3.110 3.652 0.012 1 0 "[ . 1 . 2]" 1 384 2 25 LYS H 2 65 LEU MD2 . . 5.080 5.027 4.511 5.225 0.145 10 0 "[ . 1 . 2]" 1 385 2 23 LYS H 2 25 LYS H . . 4.520 3.973 3.759 4.292 . 0 0 "[ . 1 . 2]" 1 386 2 109 VAL HA 2 111 LYS H . . 4.910 4.301 4.230 4.529 . 0 0 "[ . 1 . 2]" 1 387 2 110 LYS H 2 111 LYS H . . 3.580 2.589 2.526 2.672 . 0 0 "[ . 1 . 2]" 1 388 2 111 LYS H 2 112 TYR H . . 3.310 2.607 2.530 2.651 . 0 0 "[ . 1 . 2]" 1 389 2 108 VAL HA 2 111 LYS H . . 4.600 3.527 3.433 3.729 . 0 0 "[ . 1 . 2]" 1 390 2 111 LYS H 2 111 LYS HB3 . . 3.060 2.390 2.336 2.600 . 0 0 "[ . 1 . 2]" 1 391 2 110 LYS HB2 2 111 LYS H . . 3.890 3.971 3.919 4.016 0.126 14 0 "[ . 1 . 2]" 1 392 2 39 GLU H 2 40 ILE HB . . 5.500 4.885 4.708 5.064 . 0 0 "[ . 1 . 2]" 1 393 2 94 THR H 2 94 THR MG . . 4.230 2.432 1.870 3.740 . 0 0 "[ . 1 . 2]" 1 394 2 39 GLU HA 2 42 CYS H . . 5.410 4.539 4.033 5.000 . 0 0 "[ . 1 . 2]" 1 395 2 77 LEU H 2 77 LEU HB2 . . 3.180 2.613 2.442 2.717 . 0 0 "[ . 1 . 2]" 1 396 2 77 LEU H 2 77 LEU MD1 . . 4.400 4.133 4.009 4.200 . 0 0 "[ . 1 . 2]" 1 397 2 40 ILE H 2 41 ILE H . . 3.570 2.309 2.186 2.567 . 0 0 "[ . 1 . 2]" 1 398 2 37 ILE HA 2 41 ILE H . . 4.170 3.712 3.254 3.975 . 0 0 "[ . 1 . 2]" 1 399 2 41 ILE H 2 41 ILE HB . . 3.190 2.472 2.377 2.633 . 0 0 "[ . 1 . 2]" 1 400 2 40 ILE HB 2 41 ILE H . . 3.380 2.950 2.769 3.183 . 0 0 "[ . 1 . 2]" 1 401 2 41 ILE H 2 41 ILE HG13 . . 4.030 2.877 2.460 3.911 . 0 0 "[ . 1 . 2]" 1 402 2 37 ILE MG 2 41 ILE H . . 4.370 3.891 3.644 4.035 . 0 0 "[ . 1 . 2]" 1 403 2 37 ILE MD 2 41 ILE H . . 5.020 4.981 4.565 5.127 0.107 7 0 "[ . 1 . 2]" 1 404 2 40 ILE MD 2 41 ILE H . . 5.350 4.800 4.675 5.089 . 0 0 "[ . 1 . 2]" 1 405 2 43 GLU H 2 45 LYS H . . 5.470 4.308 3.946 4.573 . 0 0 "[ . 1 . 2]" 1 406 2 39 GLU HA 2 43 GLU H . . 4.270 3.996 3.059 4.380 0.110 18 0 "[ . 1 . 2]" 1 407 2 43 GLU H 2 43 GLU HB3 . . 3.750 3.765 3.605 3.841 0.091 1 0 "[ . 1 . 2]" 1 408 2 43 GLU H 2 43 GLU HG2 . . 4.160 2.935 2.238 4.186 0.026 1 0 "[ . 1 . 2]" 1 409 2 77 LEU H 2 78 GLU H . . 3.530 2.416 2.346 2.513 . 0 0 "[ . 1 . 2]" 1 410 2 74 ASP HA 2 78 GLU H . . 4.920 4.011 3.709 4.321 . 0 0 "[ . 1 . 2]" 1 411 2 75 LYS HA 2 78 GLU H . . 3.540 3.373 2.952 3.645 0.105 10 0 "[ . 1 . 2]" 1 412 2 78 GLU H 2 78 GLU HG3 . . 4.280 3.650 2.628 3.826 . 0 0 "[ . 1 . 2]" 1 413 2 75 LYS HB2 2 78 GLU H . . 5.500 5.484 5.026 5.631 0.131 18 0 "[ . 1 . 2]" 1 414 2 75 LYS HB3 2 78 GLU H . . 5.500 5.389 5.042 5.718 0.218 7 0 "[ . 1 . 2]" 1 415 2 77 LEU HB3 2 78 GLU H . . 3.550 2.890 2.749 3.027 . 0 0 "[ . 1 . 2]" 1 416 2 77 LEU MD1 2 78 GLU H . . 5.430 4.653 4.539 4.783 . 0 0 "[ . 1 . 2]" 1 417 2 40 ILE H 2 40 ILE HB . . 3.340 2.513 2.419 2.647 . 0 0 "[ . 1 . 2]" 1 418 2 40 ILE H 2 40 ILE HG12 . . 3.820 2.557 2.213 3.667 . 0 0 "[ . 1 . 2]" 1 419 2 74 ASP H 2 75 LYS H . . 3.150 2.657 2.597 2.789 . 0 0 "[ . 1 . 2]" 1 420 2 74 ASP H 2 74 ASP QB . . 3.140 2.360 2.338 2.389 . 0 0 "[ . 1 . 2]" 1 421 2 39 GLU H 2 40 ILE H . . 4.470 2.576 2.485 2.674 . 0 0 "[ . 1 . 2]" 1 422 2 39 GLU HG2 2 40 ILE H . . 5.500 4.721 3.905 5.356 . 0 0 "[ . 1 . 2]" 1 423 2 40 ILE H 2 40 ILE HG13 . . 3.820 3.661 2.422 3.900 0.080 19 0 "[ . 1 . 2]" 1 424 2 40 ILE H 2 40 ILE MG . . 3.900 3.805 3.757 3.860 . 0 0 "[ . 1 . 2]" 1 425 2 68 HIS H 2 70 VAL H . . 5.280 3.682 3.418 3.866 . 0 0 "[ . 1 . 2]" 1 426 2 68 HIS H 2 68 HIS HD2 . . 5.070 4.800 4.745 5.077 0.007 19 0 "[ . 1 . 2]" 1 427 2 68 HIS H 2 68 HIS HB2 . . 3.660 2.416 2.335 2.509 . 0 0 "[ . 1 . 2]" 1 428 2 68 HIS H 2 68 HIS HB3 . . 3.310 2.530 2.438 2.632 . 0 0 "[ . 1 . 2]" 1 429 2 55 SER H 2 57 GLY H . . 5.150 3.874 3.720 3.962 . 0 0 "[ . 1 . 2]" 1 430 2 54 ARG H 2 55 SER H . . 4.510 2.621 2.529 2.775 . 0 0 "[ . 1 . 2]" 1 431 2 55 SER H 2 56 ARG H . . 3.370 2.565 2.490 2.646 . 0 0 "[ . 1 . 2]" 1 432 2 53 ASP HA 2 55 SER H . . 4.760 3.996 3.801 4.145 . 0 0 "[ . 1 . 2]" 1 433 2 55 SER H 2 55 SER HB2 . . 4.180 3.006 2.428 3.592 . 0 0 "[ . 1 . 2]" 1 434 2 53 ASP HB2 2 55 SER H . . 5.500 4.052 3.651 4.909 . 0 0 "[ . 1 . 2]" 1 435 2 53 ASP HB3 2 55 SER H . . 5.500 3.279 2.735 4.460 . 0 0 "[ . 1 . 2]" 1 436 2 7 GLU H 2 10 LYS H . . 5.150 4.927 4.803 5.047 . 0 0 "[ . 1 . 2]" 1 437 2 7 GLU HA 2 10 LYS H . . 4.170 3.573 3.488 3.708 . 0 0 "[ . 1 . 2]" 1 438 2 6 GLU HA 2 10 LYS H . . 4.790 4.299 3.941 4.463 . 0 0 "[ . 1 . 2]" 1 439 2 10 LYS H 2 10 LYS QE . . 4.920 4.252 4.188 4.381 . 0 0 "[ . 1 . 2]" 1 440 2 7 GLU QB 2 10 LYS H . . 5.500 5.034 4.902 5.191 . 0 0 "[ . 1 . 2]" 1 441 2 10 LYS H 2 11 GLU HB2 . . 5.500 4.727 4.560 4.883 . 0 0 "[ . 1 . 2]" 1 442 2 10 LYS H 2 10 LYS QB . . 3.200 2.375 2.309 2.429 . 0 0 "[ . 1 . 2]" 1 443 2 10 LYS H 2 10 LYS QG . . 4.000 2.270 2.211 2.336 . 0 0 "[ . 1 . 2]" 1 444 2 82 ARG H 2 84 SER H . . 5.220 4.067 3.824 4.318 . 0 0 "[ . 1 . 2]" 1 445 2 40 ILE MG 2 82 ARG H . . 5.500 5.325 4.841 5.536 0.036 20 0 "[ . 1 . 2]" 1 446 2 82 ARG H 2 83 ASP HA . . 5.410 5.198 5.098 5.405 . 0 0 "[ . 1 . 2]" 1 447 2 82 ARG H 2 82 ARG HB2 . . 3.680 2.456 2.298 2.637 . 0 0 "[ . 1 . 2]" 1 448 2 82 ARG H 2 82 ARG HB3 . . 3.680 2.987 2.386 3.618 . 0 0 "[ . 1 . 2]" 1 449 2 13 VAL H 2 15 ARG H . . 4.930 3.952 3.859 4.053 . 0 0 "[ . 1 . 2]" 1 450 2 13 VAL HA 2 15 ARG H . . 4.860 3.980 3.895 4.071 . 0 0 "[ . 1 . 2]" 1 451 2 12 LEU HA 2 15 ARG H . . 4.100 3.366 3.191 3.552 . 0 0 "[ . 1 . 2]" 1 452 2 15 ARG H 2 16 ASP HB2 . . 5.110 4.686 4.565 4.789 . 0 0 "[ . 1 . 2]" 1 453 2 15 ARG H 2 15 ARG HB2 . . 3.650 2.242 2.071 2.406 . 0 0 "[ . 1 . 2]" 1 454 2 14 LYS QB 2 15 ARG H . . 3.600 3.003 2.759 3.150 . 0 0 "[ . 1 . 2]" 1 455 2 15 ARG H 2 15 ARG QG . . 3.400 2.722 2.278 3.219 . 0 0 "[ . 1 . 2]" 1 456 2 15 ARG H 2 15 ARG HB3 . . 3.650 3.517 3.369 3.602 . 0 0 "[ . 1 . 2]" 1 457 2 27 GLU HA 2 29 CYS H . . 4.710 4.582 4.035 4.758 0.048 3 0 "[ . 1 . 2]" 1 458 2 25 LYS HA 2 29 CYS H . . 4.340 4.153 3.750 4.404 0.064 18 0 "[ . 1 . 2]" 1 459 2 29 CYS H 2 29 CYS QB . . 3.160 2.225 2.132 2.282 . 0 0 "[ . 1 . 2]" 1 460 2 26 GLU QB 2 29 CYS H . . 5.190 4.871 4.661 5.106 . 0 0 "[ . 1 . 2]" 1 461 2 28 ILE HB 2 29 CYS H . . 3.330 2.906 2.747 3.196 . 0 0 "[ . 1 . 2]" 1 462 2 29 CYS H 2 30 THR MG . . 5.010 4.026 3.839 4.310 . 0 0 "[ . 1 . 2]" 1 463 2 28 ILE HG12 2 29 CYS H . . 5.340 5.189 5.118 5.309 . 0 0 "[ . 1 . 2]" 1 464 2 28 ILE MG 2 29 CYS H . . 3.870 3.347 3.195 3.661 . 0 0 "[ . 1 . 2]" 1 465 2 47 TYR H 2 83 ASP H . . 5.400 4.939 4.430 5.299 . 0 0 "[ . 1 . 2]" 1 466 2 83 ASP H 2 84 SER H . . 3.420 2.422 2.145 2.738 . 0 0 "[ . 1 . 2]" 1 467 2 82 ARG HB2 2 83 ASP H . . 3.910 3.508 2.900 4.010 0.100 18 0 "[ . 1 . 2]" 1 468 2 82 ARG HB3 2 83 ASP H . . 3.910 3.247 2.495 3.993 0.083 17 0 "[ . 1 . 2]" 1 469 2 82 ARG H 2 83 ASP H . . 3.800 2.525 2.373 2.785 . 0 0 "[ . 1 . 2]" 1 470 2 83 ASP H 2 84 SER QB . . 5.200 4.014 3.820 4.320 . 0 0 "[ . 1 . 2]" 1 471 2 46 THR MG 2 83 ASP H . . 4.130 3.382 2.386 4.204 0.074 18 0 "[ . 1 . 2]" 1 472 2 60 HIS H 2 62 ILE MD . . 5.500 5.392 5.092 5.517 0.017 15 0 "[ . 1 . 2]" 1 473 2 56 ARG HA 2 60 HIS H . . 4.940 3.935 3.719 4.184 . 0 0 "[ . 1 . 2]" 1 474 2 59 TRP HB2 2 60 HIS H . . 4.100 4.150 4.134 4.177 0.077 14 0 "[ . 1 . 2]" 1 475 2 59 TRP HB3 2 60 HIS H . . 4.100 2.895 2.869 2.947 . 0 0 "[ . 1 . 2]" 1 476 2 60 HIS H 2 60 HIS QB . . 3.320 2.217 2.185 2.259 . 0 0 "[ . 1 . 2]" 1 477 2 60 HIS H 2 61 VAL MG1 . . 4.360 4.038 3.968 4.088 . 0 0 "[ . 1 . 2]" 1 478 2 77 LEU MD1 2 87 LYS H . . 5.070 5.005 4.385 5.235 0.165 11 0 "[ . 1 . 2]" 1 479 2 84 SER H 2 87 LYS H . . 5.500 4.963 4.459 5.605 0.105 2 0 "[ . 1 . 2]" 1 480 2 87 LYS H 2 88 GLU H . . 3.270 2.115 1.789 2.568 . 0 0 "[ . 1 . 2]" 1 481 2 85 LYS HA 2 87 LYS H . . 4.700 3.544 3.290 4.174 . 0 0 "[ . 1 . 2]" 1 482 2 84 SER QB 2 87 LYS H . . 4.860 3.588 2.962 4.085 . 0 0 "[ . 1 . 2]" 1 483 2 87 LYS H 2 87 LYS HB2 . . 3.810 2.940 2.367 3.950 0.140 8 0 "[ . 1 . 2]" 1 484 2 87 LYS H 2 87 LYS HB3 . . 3.810 3.126 2.394 3.898 0.088 6 0 "[ . 1 . 2]" 1 485 2 86 ALA MB 2 87 LYS H . . 3.400 3.257 2.902 3.437 0.037 7 0 "[ . 1 . 2]" 1 486 2 44 ASN H 2 45 LYS H . . 3.530 2.665 2.562 2.771 . 0 0 "[ . 1 . 2]" 1 487 2 43 GLU HA 2 44 ASN H . . 2.860 2.454 2.357 2.550 . 0 0 "[ . 1 . 2]" 1 488 2 44 ASN H 2 44 ASN HB2 . . 4.010 2.775 2.406 3.612 . 0 0 "[ . 1 . 2]" 1 489 2 44 ASN H 2 44 ASN HB3 . . 4.010 3.330 2.686 3.606 . 0 0 "[ . 1 . 2]" 1 490 2 85 LYS H 2 87 LYS H . . 4.830 4.266 3.992 4.575 . 0 0 "[ . 1 . 2]" 1 491 2 102 LEU HG 2 103 SER H . . 4.860 4.499 4.447 4.607 . 0 0 "[ . 1 . 2]" 1 492 2 100 ILE HA 2 103 SER H . . 4.080 3.437 3.372 3.517 . 0 0 "[ . 1 . 2]" 1 493 2 102 LEU HB2 2 103 SER H . . 4.330 2.808 2.691 2.950 . 0 0 "[ . 1 . 2]" 1 494 2 102 LEU HB3 2 103 SER H . . 4.330 3.734 3.608 3.912 . 0 0 "[ . 1 . 2]" 1 495 2 99 VAL QG 2 103 SER H . . 4.660 3.844 3.746 3.928 . 0 0 "[ . 1 . 2]" 1 496 2 107 SER H 2 108 VAL H . . 3.600 2.626 2.589 2.650 . 0 0 "[ . 1 . 2]" 1 497 2 107 SER H 2 107 SER HB3 . . 3.500 2.551 2.407 3.579 0.079 20 0 "[ . 1 . 2]" 1 498 2 106 TRP QB 2 107 SER H . . 3.590 3.023 2.985 3.074 . 0 0 "[ . 1 . 2]" 1 499 2 107 SER H 2 108 VAL HB . . 5.160 4.773 4.710 4.839 . 0 0 "[ . 1 . 2]" 1 500 2 107 SER H 2 109 VAL HB . . 5.250 5.151 5.031 5.238 . 0 0 "[ . 1 . 2]" 1 501 2 84 SER H 2 85 LYS H . . 5.060 4.649 4.579 4.687 . 0 0 "[ . 1 . 2]" 1 502 2 84 SER H 2 84 SER QB . . 3.240 2.264 2.201 2.492 . 0 0 "[ . 1 . 2]" 1 503 2 48 ALA H 2 50 VAL H . . 5.140 4.111 4.049 4.254 . 0 0 "[ . 1 . 2]" 1 504 2 46 THR H 2 50 VAL H . . 5.100 4.669 3.701 4.928 . 0 0 "[ . 1 . 2]" 1 505 2 47 TYR HA 2 50 VAL H . . 3.800 3.379 3.274 3.531 . 0 0 "[ . 1 . 2]" 1 506 2 49 ASP HB2 2 50 VAL H . . 3.960 3.181 2.747 3.945 . 0 0 "[ . 1 . 2]" 1 507 2 49 ASP HB3 2 50 VAL H . . 3.960 3.941 2.655 4.064 0.104 2 0 "[ . 1 . 2]" 1 508 2 50 VAL H 2 50 VAL HB . . 3.830 2.755 2.522 2.848 . 0 0 "[ . 1 . 2]" 1 509 2 50 VAL H 2 50 VAL MG1 . . 3.140 2.209 2.156 2.250 . 0 0 "[ . 1 . 2]" 1 510 2 50 VAL H 2 50 VAL MG2 . . 3.850 3.872 3.795 3.895 0.045 18 0 "[ . 1 . 2]" 1 511 2 17 SER H 2 18 GLY H . . 4.040 2.426 2.287 2.564 . 0 0 "[ . 1 . 2]" 1 512 2 18 GLY H 2 19 LYS H . . 3.450 2.608 2.427 2.738 . 0 0 "[ . 1 . 2]" 1 513 2 16 ASP HA 2 18 GLY H . . 4.640 3.655 3.575 3.725 . 0 0 "[ . 1 . 2]" 1 514 2 16 ASP HB2 2 18 GLY H . . 4.790 4.327 4.239 4.518 . 0 0 "[ . 1 . 2]" 1 515 2 18 GLY H 2 19 LYS QB . . 5.280 4.759 4.680 5.155 . 0 0 "[ . 1 . 2]" 1 516 2 18 GLY H 2 24 ILE MD . . 5.500 5.055 4.426 5.493 . 0 0 "[ . 1 . 2]" 1 517 2 70 VAL HA 2 71 THR H . . 3.210 2.241 2.200 2.271 . 0 0 "[ . 1 . 2]" 1 518 2 15 ARG HA 2 71 THR H . . 5.120 4.221 4.066 4.491 . 0 0 "[ . 1 . 2]" 1 519 2 16 ASP HB2 2 71 THR H . . 4.910 4.932 4.767 5.021 0.111 6 0 "[ . 1 . 2]" 1 520 2 29 CYS H 2 30 THR H . . 3.490 2.614 2.555 2.764 . 0 0 "[ . 1 . 2]" 1 521 2 30 THR H 2 31 LYS H . . 3.190 2.568 2.446 2.670 . 0 0 "[ . 1 . 2]" 1 522 2 30 THR H 2 30 THR HB . . 3.110 2.512 2.442 2.599 . 0 0 "[ . 1 . 2]" 1 523 2 28 ILE HA 2 30 THR H . . 4.950 4.118 3.817 4.264 . 0 0 "[ . 1 . 2]" 1 524 2 29 CYS QB 2 30 THR H . . 4.030 2.949 2.811 3.075 . 0 0 "[ . 1 . 2]" 1 525 2 30 THR H 2 30 THR MG . . 3.390 2.125 1.997 2.226 . 0 0 "[ . 1 . 2]" 1 526 2 28 ILE MG 2 30 THR H . . 4.960 4.762 4.722 4.894 . 0 0 "[ . 1 . 2]" 1 527 2 46 THR H 2 49 ASP HB2 . . 3.930 2.431 1.770 3.006 . 0 0 "[ . 1 . 2]" 1 528 2 46 THR H 2 49 ASP HB3 . . 3.930 3.827 2.795 3.988 0.058 10 0 "[ . 1 . 2]" 1 529 2 45 LYS HB2 2 46 THR H . . 3.870 3.422 3.208 3.786 . 0 0 "[ . 1 . 2]" 1 530 2 45 LYS HB3 2 46 THR H . . 3.870 2.331 2.202 2.573 . 0 0 "[ . 1 . 2]" 1 531 2 46 THR H 2 46 THR MG . . 4.080 3.854 3.289 4.022 . 0 0 "[ . 1 . 2]" 1 532 2 40 ILE MG 2 46 THR H . . 4.810 4.847 4.441 4.962 0.152 3 0 "[ . 1 . 2]" 1 533 2 40 ILE MD 2 46 THR H . . 5.500 3.735 3.328 5.013 . 0 0 "[ . 1 . 2]" 1 534 2 46 THR H 2 47 TYR H . . 5.010 4.396 4.308 4.448 . 0 0 "[ . 1 . 2]" 1 535 2 56 ARG H 2 57 GLY H . . 3.420 2.413 2.357 2.490 . 0 0 "[ . 1 . 2]" 1 536 2 54 ARG HA 2 57 GLY H . . 5.190 3.234 2.823 3.520 . 0 0 "[ . 1 . 2]" 1 537 2 56 ARG QB 2 57 GLY H . . 3.470 2.839 2.751 2.972 . 0 0 "[ . 1 . 2]" 1 538 2 52 ILE MD 2 57 GLY H . . 3.940 3.825 3.484 3.970 0.030 4 0 "[ . 1 . 2]" 1 539 2 47 TYR HD1 2 57 GLY H . . 5.500 4.669 4.436 4.924 . 0 0 "[ . 1 . 2]" 1 540 2 69 GLY H 2 70 VAL H . . 3.450 2.296 2.149 2.367 . 0 0 "[ . 1 . 2]" 1 541 2 67 LYS HA 2 69 GLY H . . 3.610 3.116 3.039 3.295 . 0 0 "[ . 1 . 2]" 1 542 2 68 HIS HB2 2 69 GLY H . . 5.420 4.331 4.271 4.370 . 0 0 "[ . 1 . 2]" 1 543 2 68 HIS HB3 2 69 GLY H . . 4.510 3.531 3.394 3.620 . 0 0 "[ . 1 . 2]" 1 544 2 69 GLY H 2 70 VAL HB . . 5.500 5.363 4.834 5.540 0.040 20 0 "[ . 1 . 2]" 1 545 2 16 ASP H 2 16 ASP HB3 . . 3.790 2.359 2.298 2.437 . 0 0 "[ . 1 . 2]" 1 546 2 13 VAL MG1 2 16 ASP HB3 . . 5.170 5.127 4.867 5.215 0.045 5 0 "[ . 1 . 2]" 1 547 2 16 ASP HB2 2 72 ASP H . . 5.500 5.498 5.367 5.575 0.075 4 0 "[ . 1 . 2]" 1 548 2 13 VAL HA 2 16 ASP HB2 . . 4.310 3.310 2.897 3.662 . 0 0 "[ . 1 . 2]" 1 549 2 13 VAL HA 2 16 ASP HB3 . . 4.470 3.790 3.394 4.196 . 0 0 "[ . 1 . 2]" 1 550 2 54 ARG HA 2 54 ARG HD2 . . 4.350 2.791 2.302 4.523 0.173 17 0 "[ . 1 . 2]" 1 551 2 54 ARG HA 2 54 ARG HD3 . . 4.350 2.793 2.093 4.170 . 0 0 "[ . 1 . 2]" 1 552 2 52 ILE MD 2 56 ARG QD . . 5.380 4.333 2.784 5.428 0.048 5 0 "[ . 1 . 2]" 1 553 2 15 ARG HD2 2 70 VAL HA . . 4.480 4.497 4.370 4.640 0.160 1 0 "[ . 1 . 2]" 1 554 2 15 ARG HD3 2 70 VAL HA . . 4.770 4.319 3.281 4.907 0.137 17 0 "[ . 1 . 2]" 1 555 2 9 ARG QD 2 10 LYS QG . . 4.270 3.553 2.915 3.964 . 0 0 "[ . 1 . 2]" 1 556 2 15 ARG H 2 15 ARG HD2 . . 5.500 5.164 4.813 5.585 0.085 19 0 "[ . 1 . 2]" 1 557 2 15 ARG HD2 2 106 TRP HZ2 . . 5.500 4.786 4.669 4.958 . 0 0 "[ . 1 . 2]" 1 558 2 15 ARG HA 2 15 ARG HD2 . . 4.240 3.436 3.244 3.771 . 0 0 "[ . 1 . 2]" 1 559 2 15 ARG HD2 2 106 TRP HZ3 . . 4.720 3.180 2.876 3.295 . 0 0 "[ . 1 . 2]" 1 560 2 15 ARG H 2 15 ARG HD3 . . 5.500 4.538 3.900 5.292 . 0 0 "[ . 1 . 2]" 1 561 2 15 ARG HD3 2 106 TRP HZ2 . . 5.500 5.576 5.538 5.638 0.138 18 0 "[ . 1 . 2]" 1 562 2 15 ARG HD3 2 106 TRP HZ3 . . 4.920 4.119 2.458 5.006 0.086 6 0 "[ . 1 . 2]" 1 563 2 15 ARG HA 2 15 ARG HD3 . . 4.240 2.607 1.976 3.753 . 0 0 "[ . 1 . 2]" 1 564 2 79 LEU HB2 2 79 LEU MD1 . . 3.580 2.394 2.278 3.242 . 0 0 "[ . 1 . 2]" 1 565 2 79 LEU HB3 2 79 LEU MD1 . . 3.580 3.030 2.392 3.231 . 0 0 "[ . 1 . 2]" 1 566 2 10 LYS QE 2 10 LYS QG . . 3.350 2.157 2.088 2.346 . 0 0 "[ . 1 . 2]" 1 567 2 25 LYS QE 2 41 ILE HA . . 5.430 3.839 3.101 4.584 . 0 0 "[ . 1 . 2]" 1 568 2 9 ARG QD 2 10 LYS QE . . 3.120 3.115 2.767 3.219 0.099 19 0 "[ . 1 . 2]" 1 569 2 77 LEU HB2 2 98 PHE HZ . . 5.090 3.045 2.459 3.433 . 0 0 "[ . 1 . 2]" 1 570 2 77 LEU HB2 2 78 GLU H . . 4.250 4.054 4.009 4.124 . 0 0 "[ . 1 . 2]" 1 571 2 74 ASP HA 2 77 LEU HB2 . . 4.230 4.102 3.820 4.274 0.044 15 0 "[ . 1 . 2]" 1 572 2 77 LEU HB2 2 77 LEU MD1 . . 3.420 2.338 2.307 2.376 . 0 0 "[ . 1 . 2]" 1 573 2 76 ILE HB 2 77 LEU HB2 . . 4.770 4.213 3.698 4.470 . 0 0 "[ . 1 . 2]" 1 574 2 74 ASP HA 2 77 LEU HB3 . . 4.280 3.078 2.863 3.223 . 0 0 "[ . 1 . 2]" 1 575 2 77 LEU H 2 77 LEU HB3 . . 3.600 2.462 2.381 2.579 . 0 0 "[ . 1 . 2]" 1 576 2 77 LEU HB3 2 98 PHE HZ . . 4.780 4.035 3.516 4.496 . 0 0 "[ . 1 . 2]" 1 577 2 76 ILE HB 2 77 LEU HB3 . . 5.500 4.953 4.715 5.123 . 0 0 "[ . 1 . 2]" 1 578 2 52 ILE HB 2 53 ASP H . . 4.310 4.038 3.978 4.097 . 0 0 "[ . 1 . 2]" 1 579 2 62 ILE HA 2 65 LEU HB3 . . 4.790 4.363 3.925 4.578 . 0 0 "[ . 1 . 2]" 1 580 2 65 LEU HB3 2 65 LEU MD2 . . 3.290 2.281 2.260 2.301 . 0 0 "[ . 1 . 2]" 1 581 2 98 PHE H 2 98 PHE HB3 . . 4.000 2.343 2.257 2.496 . 0 0 "[ . 1 . 2]" 1 582 2 42 CYS H 2 42 CYS HB2 . . 4.200 2.549 2.309 2.898 . 0 0 "[ . 1 . 2]" 1 583 2 41 ILE HB 2 42 CYS HB2 . . 5.400 4.170 3.608 4.752 . 0 0 "[ . 1 . 2]" 1 584 2 41 ILE HB 2 42 CYS HB3 . . 5.400 5.130 4.509 5.632 0.232 7 0 "[ . 1 . 2]" 1 585 2 42 CYS H 2 42 CYS HB3 . . 4.200 3.071 2.419 3.807 . 0 0 "[ . 1 . 2]" 1 586 2 5 PHE QB 2 99 VAL QG . . 5.400 4.068 3.428 4.977 . 0 0 "[ . 1 . 2]" 1 587 2 5 PHE QB 2 6 GLU HA . . 4.580 4.388 4.069 4.607 0.027 6 0 "[ . 1 . 2]" 1 588 2 28 ILE H 2 28 ILE HB . . 3.340 2.280 2.205 2.371 . 0 0 "[ . 1 . 2]" 1 589 2 25 LYS HA 2 28 ILE HB . . 4.110 2.866 2.213 3.267 . 0 0 "[ . 1 . 2]" 1 590 2 23 LYS H 2 24 ILE HB . . 5.070 4.419 4.212 4.598 . 0 0 "[ . 1 . 2]" 1 591 2 76 ILE HB 2 77 LEU H . . 3.900 2.845 2.728 2.958 . 0 0 "[ . 1 . 2]" 1 592 2 44 ASN HB3 2 45 LYS H . . 5.250 4.378 4.250 4.538 . 0 0 "[ . 1 . 2]" 1 593 2 37 ILE HA 2 40 ILE HB . . 5.000 3.348 3.077 3.669 . 0 0 "[ . 1 . 2]" 1 594 2 100 ILE HB 2 101 THR MG . . 5.500 3.409 3.329 3.536 . 0 0 "[ . 1 . 2]" 1 595 2 100 ILE HB 2 100 ILE MD . . 3.690 2.321 2.291 2.352 . 0 0 "[ . 1 . 2]" 1 596 2 62 ILE HB 2 105 ALA MB . . 4.700 3.895 3.746 4.101 . 0 0 "[ . 1 . 2]" 1 597 2 62 ILE HB 2 62 ILE MD . . 3.420 2.316 2.286 2.336 . 0 0 "[ . 1 . 2]" 1 598 2 27 GLU HA 2 27 GLU HG2 . . 4.250 2.696 2.400 2.989 . 0 0 "[ . 1 . 2]" 1 599 2 3 VAL QG 2 4 GLU QG . . 4.200 3.423 2.311 4.386 0.186 15 0 "[ . 1 . 2]" 1 600 2 27 GLU H 2 27 GLU HG3 . . 4.130 3.257 2.322 3.851 . 0 0 "[ . 1 . 2]" 1 601 2 39 GLU HG3 2 40 ILE H . . 5.500 4.873 3.945 5.430 . 0 0 "[ . 1 . 2]" 1 602 2 27 GLU HA 2 27 GLU HG3 . . 4.250 3.407 2.754 3.752 . 0 0 "[ . 1 . 2]" 1 603 2 40 ILE H 2 41 ILE HB . . 5.500 4.570 4.394 4.781 . 0 0 "[ . 1 . 2]" 1 604 2 78 GLU H 2 78 GLU HG2 . . 4.280 2.677 2.478 3.831 . 0 0 "[ . 1 . 2]" 1 605 2 22 GLU QG 2 23 LYS H . . 3.860 3.085 2.373 3.884 0.024 5 0 "[ . 1 . 2]" 1 606 2 5 PHE QB 2 6 GLU QG . . 4.560 3.513 3.425 3.590 . 0 0 "[ . 1 . 2]" 1 607 2 22 GLU QG 2 23 LYS QE . . 3.890 3.336 2.451 4.020 0.130 15 0 "[ . 1 . 2]" 1 608 2 22 GLU QG 2 23 LYS HG2 . . 5.500 3.202 2.236 4.405 . 0 0 "[ . 1 . 2]" 1 609 2 22 GLU QG 2 23 LYS HG3 . . 5.500 4.242 2.162 5.426 . 0 0 "[ . 1 . 2]" 1 610 2 4 GLU HA 2 7 GLU QG . . 4.410 3.514 2.900 4.442 0.032 15 0 "[ . 1 . 2]" 1 611 2 86 ALA H 2 88 GLU QG . . 5.110 4.537 4.239 4.987 . 0 0 "[ . 1 . 2]" 1 612 2 88 GLU QG 2 94 THR MG . . 4.890 4.063 3.333 4.896 0.006 13 0 "[ . 1 . 2]" 1 613 2 88 GLU H 2 88 GLU QG . . 4.440 2.366 2.075 2.830 . 0 0 "[ . 1 . 2]" 1 614 2 25 LYS QE 2 41 ILE HB . . 5.500 4.767 4.108 5.342 . 0 0 "[ . 1 . 2]" 1 615 2 41 ILE HB 2 42 CYS H . . 3.700 2.781 2.548 3.139 . 0 0 "[ . 1 . 2]" 1 616 2 26 GLU H 2 26 GLU HG3 . . 4.280 3.365 2.243 3.717 . 0 0 "[ . 1 . 2]" 1 617 2 6 GLU QG 2 7 GLU H . . 4.120 4.203 4.182 4.233 0.113 10 0 "[ . 1 . 2]" 1 618 2 7 GLU QG 2 8 LEU H . . 4.780 3.948 3.511 4.221 . 0 0 "[ . 1 . 2]" 1 619 2 39 GLU HA 2 43 GLU HG2 . . 4.570 3.225 2.499 4.199 . 0 0 "[ . 1 . 2]" 1 620 2 43 GLU HA 2 43 GLU HG2 . . 3.890 2.998 2.423 3.188 . 0 0 "[ . 1 . 2]" 1 621 2 26 GLU HG3 2 27 GLU H . . 5.370 4.884 2.672 5.261 . 0 0 "[ . 1 . 2]" 1 622 2 43 GLU H 2 43 GLU HG3 . . 4.160 4.070 3.254 4.308 0.148 6 0 "[ . 1 . 2]" 1 623 2 43 GLU HA 2 43 GLU HG3 . . 3.890 3.729 3.017 3.808 . 0 0 "[ . 1 . 2]" 1 624 2 39 GLU HA 2 43 GLU HG3 . . 4.570 2.890 2.234 3.823 . 0 0 "[ . 1 . 2]" 1 625 2 11 GLU HG3 2 106 TRP HZ2 . . 4.420 3.092 2.349 3.621 . 0 0 "[ . 1 . 2]" 1 626 2 47 TYR HB3 2 47 TYR HD1 . . 3.710 2.557 2.468 2.661 . 0 0 "[ . 1 . 2]" 1 627 2 19 LYS QB 2 24 ILE H . . 5.350 4.552 3.936 5.437 0.087 13 0 "[ . 1 . 2]" 1 628 2 19 LYS QB 2 19 LYS QE . . 4.420 2.647 1.907 3.636 . 0 0 "[ . 1 . 2]" 1 629 2 19 LYS QB 2 24 ILE MD . . 3.710 3.090 2.310 3.872 0.162 11 0 "[ . 1 . 2]" 1 630 2 10 LYS QB 2 10 LYS QE . . 4.290 3.665 3.544 3.891 . 0 0 "[ . 1 . 2]" 1 631 2 10 LYS QB 2 13 VAL H . . 5.350 4.856 4.721 4.999 . 0 0 "[ . 1 . 2]" 1 632 2 2 VAL HB 2 3 VAL H . . 4.560 3.258 2.818 4.100 . 0 0 "[ . 1 . 2]" 1 633 2 3 VAL HB 2 4 GLU H . . 4.360 3.482 2.644 4.195 . 0 0 "[ . 1 . 2]" 1 634 2 59 TRP HH2 2 104 LYS HB2 . . 4.540 2.849 2.565 3.297 . 0 0 "[ . 1 . 2]" 1 635 2 104 LYS HB2 2 104 LYS QE . . 4.360 4.167 3.940 4.255 . 0 0 "[ . 1 . 2]" 1 636 2 104 LYS HB2 2 104 LYS QD . . 3.710 3.073 2.435 3.347 . 0 0 "[ . 1 . 2]" 1 637 2 104 LYS HB2 2 105 ALA H . . 4.280 2.890 2.783 3.085 . 0 0 "[ . 1 . 2]" 1 638 2 14 LYS QB 2 14 LYS QE . . 4.470 2.871 1.853 3.880 . 0 0 "[ . 1 . 2]" 1 639 2 13 VAL MG1 2 14 LYS QB . . 5.330 3.628 3.094 3.857 . 0 0 "[ . 1 . 2]" 1 640 2 25 LYS H 2 25 LYS HB2 . . 3.740 2.877 2.525 3.621 . 0 0 "[ . 1 . 2]" 1 641 2 25 LYS HB2 2 26 GLU H . . 4.190 4.020 3.887 4.100 . 0 0 "[ . 1 . 2]" 1 642 2 105 ALA HA 2 108 VAL HB . . 4.010 3.164 3.028 3.255 . 0 0 "[ . 1 . 2]" 1 643 2 23 LYS H 2 23 LYS HB3 . . 3.690 3.618 3.460 3.644 . 0 0 "[ . 1 . 2]" 1 644 2 50 VAL HB 2 52 ILE MG . . 4.600 4.390 4.319 4.477 . 0 0 "[ . 1 . 2]" 1 645 2 21 VAL HB 2 22 GLU H . . 4.040 3.701 2.971 4.215 0.175 4 0 "[ . 1 . 2]" 1 646 2 21 VAL H 2 21 VAL HB . . 3.620 2.671 2.261 3.597 . 0 0 "[ . 1 . 2]" 1 647 2 47 TYR HA 2 50 VAL HB . . 5.130 4.288 4.022 4.560 . 0 0 "[ . 1 . 2]" 1 648 2 58 ASP HA 2 61 VAL HB . . 5.210 5.253 5.209 5.304 0.094 16 0 "[ . 1 . 2]" 1 649 2 13 VAL HB 2 14 LYS H . . 4.710 4.014 3.981 4.051 . 0 0 "[ . 1 . 2]" 1 650 2 10 LYS H 2 13 VAL HB . . 5.500 5.553 5.472 5.603 0.103 7 0 "[ . 1 . 2]" 1 651 2 98 PHE H 2 99 VAL HB . . 5.500 4.837 4.682 5.101 . 0 0 "[ . 1 . 2]" 1 652 2 99 VAL H 2 99 VAL HB . . 3.660 2.403 2.280 2.592 . 0 0 "[ . 1 . 2]" 1 653 2 46 THR HB 2 83 ASP H . . 5.500 4.956 4.230 5.564 0.064 3 0 "[ . 1 . 2]" 1 654 2 46 THR HB 2 47 TYR HE2 . . 5.500 5.267 4.028 5.715 0.215 6 0 "[ . 1 . 2]" 1 655 2 46 THR HB 2 47 TYR HA . . 4.650 4.693 4.539 4.785 0.135 14 0 "[ . 1 . 2]" 1 656 2 60 HIS QB 2 61 VAL MG1 . . 3.840 3.015 2.953 3.092 . 0 0 "[ . 1 . 2]" 1 657 2 107 SER HA 2 110 LYS HB2 . . 4.950 4.022 3.635 4.237 . 0 0 "[ . 1 . 2]" 1 658 2 106 TRP QB 2 109 VAL HB . . 4.830 4.214 4.064 4.339 . 0 0 "[ . 1 . 2]" 1 659 2 104 LYS HA 2 106 TRP QB . . 5.390 5.261 5.138 5.401 0.011 18 0 "[ . 1 . 2]" 1 660 2 71 THR MG 2 106 TRP QB . . 5.270 3.961 3.450 4.243 . 0 0 "[ . 1 . 2]" 1 661 2 12 LEU QD 2 106 TRP QB . . 4.510 2.148 2.049 2.372 . 0 0 "[ . 1 . 2]" 1 662 2 88 GLU H 2 88 GLU HB2 . . 3.860 2.345 2.171 2.472 . 0 0 "[ . 1 . 2]" 1 663 2 55 SER H 2 56 ARG QB . . 5.500 4.374 4.263 4.604 . 0 0 "[ . 1 . 2]" 1 664 2 94 THR HB 2 95 GLN H . . 4.540 3.855 2.774 4.279 . 0 0 "[ . 1 . 2]" 1 665 2 26 GLU QB 2 27 GLU H . . 4.510 2.871 2.757 3.656 . 0 0 "[ . 1 . 2]" 1 666 2 24 ILE HA 2 27 GLU HB2 . . 4.700 2.577 2.272 2.951 . 0 0 "[ . 1 . 2]" 1 667 2 24 ILE HA 2 27 GLU HB3 . . 4.700 4.195 3.907 4.583 . 0 0 "[ . 1 . 2]" 1 668 2 39 GLU HA 2 43 GLU HB3 . . 4.930 4.168 3.612 5.005 0.075 20 0 "[ . 1 . 2]" 1 669 2 39 GLU HA 2 43 GLU HB2 . . 4.010 2.752 2.079 3.452 . 0 0 "[ . 1 . 2]" 1 670 2 43 GLU HB2 2 45 LYS H . . 5.500 2.806 2.554 3.084 . 0 0 "[ . 1 . 2]" 1 671 2 7 GLU QB 2 8 LEU HG . . 5.270 3.977 3.149 5.323 0.053 15 0 "[ . 1 . 2]" 1 672 2 4 GLU HA 2 7 GLU QB . . 3.660 2.656 2.238 2.942 . 0 0 "[ . 1 . 2]" 1 673 2 11 GLU H 2 11 GLU HB3 . . 3.380 2.579 2.476 2.681 . 0 0 "[ . 1 . 2]" 1 674 2 10 LYS H 2 11 GLU HB3 . . 5.400 4.893 4.738 5.016 . 0 0 "[ . 1 . 2]" 1 675 2 14 LYS H 2 14 LYS QD . . 4.350 3.971 3.653 4.621 0.271 7 0 "[ . 1 . 2]" 1 676 2 9 ARG QB 2 10 LYS H . . 4.280 2.604 2.471 2.704 . 0 0 "[ . 1 . 2]" 1 677 2 9 ARG QB 2 10 LYS QE . . 3.860 3.805 3.666 3.874 0.014 14 0 "[ . 1 . 2]" 1 678 2 7 GLU QB 2 9 ARG H . . 5.190 4.631 4.537 4.722 . 0 0 "[ . 1 . 2]" 1 679 2 45 LYS QD 2 46 THR H . . 4.750 4.351 3.666 4.861 0.111 17 0 "[ . 1 . 2]" 1 680 2 22 GLU QB 2 23 LYS H . . 3.990 3.251 2.716 3.724 . 0 0 "[ . 1 . 2]" 1 681 2 22 GLU QB 2 23 LYS HA . . 4.650 4.494 4.364 4.595 . 0 0 "[ . 1 . 2]" 1 682 2 56 ARG H 2 56 ARG QG . . 4.110 3.363 2.345 3.943 . 0 0 "[ . 1 . 2]" 1 683 2 28 ILE HG13 2 64 TYR QE . . 5.500 4.831 3.874 5.627 0.127 11 0 "[ . 1 . 2]" 1 684 2 31 LYS H 2 31 LYS QD . . 5.290 3.730 3.252 4.615 . 0 0 "[ . 1 . 2]" 1 685 2 31 LYS HA 2 31 LYS QD . . 4.450 3.139 2.017 4.273 . 0 0 "[ . 1 . 2]" 1 686 2 28 ILE HA 2 28 ILE HG13 . . 3.880 2.727 2.622 2.826 . 0 0 "[ . 1 . 2]" 1 687 2 41 ILE HG13 2 42 CYS H . . 5.230 4.555 4.152 5.283 0.053 19 0 "[ . 1 . 2]" 1 688 2 41 ILE HA 2 41 ILE HG13 . . 3.980 3.222 2.809 3.805 . 0 0 "[ . 1 . 2]" 1 689 2 37 ILE MG 2 41 ILE HG13 . . 4.700 2.851 1.978 3.935 . 0 0 "[ . 1 . 2]" 1 690 2 41 ILE H 2 41 ILE HG12 . . 4.030 3.405 2.204 4.035 0.005 6 0 "[ . 1 . 2]" 1 691 2 41 ILE HG12 2 42 CYS H . . 5.230 4.866 4.160 5.165 . 0 0 "[ . 1 . 2]" 1 692 2 37 ILE MG 2 41 ILE HG12 . . 4.700 3.891 2.288 4.718 0.018 6 0 "[ . 1 . 2]" 1 693 2 28 ILE HG12 2 68 HIS HB2 . . 5.170 3.630 3.064 4.382 . 0 0 "[ . 1 . 2]" 1 694 2 28 ILE HG12 2 64 TYR QE . . 5.300 3.331 2.255 4.542 . 0 0 "[ . 1 . 2]" 1 695 2 28 ILE HA 2 28 ILE HG12 . . 3.800 2.427 2.352 2.500 . 0 0 "[ . 1 . 2]" 1 696 2 28 ILE H 2 28 ILE HG12 . . 4.090 3.963 3.872 4.049 . 0 0 "[ . 1 . 2]" 1 697 2 28 ILE HG12 2 28 ILE MG . . 3.750 2.355 2.315 2.382 . 0 0 "[ . 1 . 2]" 1 698 2 21 VAL HA 2 24 ILE HB . . 3.190 2.396 2.134 2.938 . 0 0 "[ . 1 . 2]" 1 699 2 21 VAL HA 2 24 ILE HG12 . . 4.400 4.350 3.357 4.582 0.182 6 0 "[ . 1 . 2]" 1 700 2 21 VAL HA 2 21 VAL MG1 . . 3.350 2.693 2.118 3.218 . 0 0 "[ . 1 . 2]" 1 701 2 21 VAL HA 2 24 ILE MD . . 2.800 2.333 2.179 2.547 . 0 0 "[ . 1 . 2]" 1 702 2 61 VAL HA 2 61 VAL MG1 . . 3.150 2.407 2.378 2.419 . 0 0 "[ . 1 . 2]" 1 703 2 21 VAL HA 2 24 ILE HG13 . . 4.400 3.264 2.915 4.572 0.172 5 0 "[ . 1 . 2]" 1 704 2 59 TRP HA 2 62 ILE HA . . 5.500 5.447 5.291 5.525 0.025 15 0 "[ . 1 . 2]" 1 705 2 61 VAL HA 2 62 ILE HA . . 4.950 4.774 4.761 4.789 . 0 0 "[ . 1 . 2]" 1 706 2 40 ILE HG12 2 47 TYR HD1 . . 5.100 4.979 4.457 5.241 0.141 3 0 "[ . 1 . 2]" 1 707 2 40 ILE HG13 2 47 TYR HD1 . . 5.100 3.586 2.905 5.243 0.143 9 0 "[ . 1 . 2]" 1 708 2 23 LYS H 2 23 LYS HD2 . . 4.630 4.298 3.097 4.684 0.054 8 0 "[ . 1 . 2]" 1 709 2 23 LYS H 2 23 LYS HD3 . . 4.630 3.800 2.705 4.789 0.159 18 0 "[ . 1 . 2]" 1 710 2 62 ILE H 2 65 LEU HG . . 5.500 5.467 5.296 5.539 0.039 10 0 "[ . 1 . 2]" 1 711 2 65 LEU H 2 65 LEU HG . . 4.050 2.448 2.349 2.503 . 0 0 "[ . 1 . 2]" 1 712 2 37 ILE MD 2 65 LEU HG . . 4.650 4.198 2.757 4.726 0.076 20 0 "[ . 1 . 2]" 1 713 2 11 GLU HA 2 15 ARG QG . . 5.450 4.292 3.819 4.872 . 0 0 "[ . 1 . 2]" 1 714 2 12 LEU QD 2 15 ARG QG . . 5.130 3.682 3.466 4.055 . 0 0 "[ . 1 . 2]" 1 715 2 79 LEU H 2 79 LEU HG . . 4.500 4.046 2.581 4.452 . 0 0 "[ . 1 . 2]" 1 716 2 9 ARG QG 2 10 LYS QG . . 3.750 3.429 2.932 3.846 0.096 9 0 "[ . 1 . 2]" 1 717 2 76 ILE HA 2 79 LEU H . . 4.250 3.806 3.539 4.282 0.032 7 0 "[ . 1 . 2]" 1 718 2 76 ILE HA 2 78 GLU H . . 4.980 4.508 4.318 4.626 . 0 0 "[ . 1 . 2]" 1 719 2 76 ILE HA 2 76 ILE HG13 . . 3.660 2.663 2.208 3.130 . 0 0 "[ . 1 . 2]" 1 720 2 15 ARG QG 2 70 VAL HA . . 5.190 5.074 4.721 5.267 0.077 18 0 "[ . 1 . 2]" 1 721 2 15 ARG QG 2 106 TRP HZ3 . . 5.220 3.157 2.945 3.369 . 0 0 "[ . 1 . 2]" 1 722 2 8 LEU HG 2 11 GLU H . . 5.500 5.474 5.008 5.666 0.166 7 0 "[ . 1 . 2]" 1 723 2 9 ARG QG 2 11 GLU H . . 5.500 5.124 5.025 5.291 . 0 0 "[ . 1 . 2]" 1 724 2 63 LEU H 2 63 LEU HG . . 4.640 2.717 2.639 2.831 . 0 0 "[ . 1 . 2]" 1 725 2 113 LEU H 2 113 LEU HG . . 4.070 2.816 2.596 4.276 0.206 5 0 "[ . 1 . 2]" 1 726 2 113 LEU HA 2 113 LEU HG . . 4.240 2.897 2.789 3.224 . 0 0 "[ . 1 . 2]" 1 727 2 110 LYS HA 2 113 LEU HG . . 4.370 3.790 3.504 4.434 0.064 3 0 "[ . 1 . 2]" 1 728 2 74 ASP HA 2 77 LEU HG . . 5.500 5.441 5.287 5.623 0.123 7 0 "[ . 1 . 2]" 1 729 2 108 VAL HA 2 110 LYS H . . 5.230 4.507 4.395 4.569 . 0 0 "[ . 1 . 2]" 1 730 2 108 VAL HA 2 112 TYR HD2 . . 5.500 4.084 3.859 4.254 . 0 0 "[ . 1 . 2]" 1 731 2 108 VAL HA 2 111 LYS QG . . 4.480 3.982 2.235 4.493 0.013 7 0 "[ . 1 . 2]" 1 732 2 108 VAL HA 2 111 LYS HB3 . . 4.820 2.880 2.556 4.318 . 0 0 "[ . 1 . 2]" 1 733 2 109 VAL HA 2 113 LEU H . . 5.140 4.384 4.269 4.551 . 0 0 "[ . 1 . 2]" 1 734 2 109 VAL HA 2 110 LYS HA . . 4.840 4.783 4.762 4.812 . 0 0 "[ . 1 . 2]" 1 735 2 109 VAL HA 2 112 TYR HB2 . . 4.670 2.739 2.426 2.899 . 0 0 "[ . 1 . 2]" 1 736 2 25 LYS HA 2 25 LYS HG2 . . 4.220 3.469 3.166 4.218 . 0 0 "[ . 1 . 2]" 1 737 2 108 VAL HA 2 112 TYR HB2 . . 5.410 5.474 5.402 5.516 0.106 19 0 "[ . 1 . 2]" 1 738 2 100 ILE HA 2 102 LEU H . . 5.490 4.467 4.358 4.572 . 0 0 "[ . 1 . 2]" 1 739 2 100 ILE HA 2 103 SER HA . . 5.420 5.485 5.437 5.531 0.111 17 0 "[ . 1 . 2]" 1 740 2 100 ILE HA 2 104 LYS HB2 . . 5.430 4.979 4.643 5.196 . 0 0 "[ . 1 . 2]" 1 741 2 67 LYS HA 2 109 VAL HA . . 4.470 4.206 3.727 4.590 0.120 15 0 "[ . 1 . 2]" 1 742 2 101 THR HB 2 102 LEU HG . . 5.270 4.371 4.115 4.539 . 0 0 "[ . 1 . 2]" 1 743 2 12 LEU H 2 12 LEU HG . . 4.320 2.725 2.310 4.024 . 0 0 "[ . 1 . 2]" 1 744 2 94 THR HA 2 97 TYR QD . . 4.900 3.605 3.286 4.327 . 0 0 "[ . 1 . 2]" 1 745 2 94 THR HA 2 97 TYR H . . 5.170 3.364 3.120 3.686 . 0 0 "[ . 1 . 2]" 1 746 2 94 THR HA 2 97 TYR HB3 . . 4.090 2.716 2.319 3.381 . 0 0 "[ . 1 . 2]" 1 747 2 94 THR HA 2 94 THR MG . . 3.340 2.399 2.150 2.501 . 0 0 "[ . 1 . 2]" 1 748 2 59 TRP HZ3 2 104 LYS QG . . 4.990 4.152 3.974 4.555 . 0 0 "[ . 1 . 2]" 1 749 2 7 GLU HA 2 10 LYS QG . . 4.590 3.766 3.416 4.420 . 0 0 "[ . 1 . 2]" 1 750 2 12 LEU HA 2 12 LEU HG . . 3.680 2.778 2.294 2.978 . 0 0 "[ . 1 . 2]" 1 751 2 17 SER HB2 2 24 ILE MD . . 5.500 4.412 3.165 5.505 0.005 7 0 "[ . 1 . 2]" 1 752 2 17 SER HB2 2 19 LYS QE . . 4.770 3.557 2.040 4.755 . 0 0 "[ . 1 . 2]" 1 753 2 17 SER HB3 2 19 LYS QE . . 4.770 3.425 2.167 4.729 . 0 0 "[ . 1 . 2]" 1 754 2 17 SER HB3 2 24 ILE MD . . 5.500 4.014 2.802 5.386 . 0 0 "[ . 1 . 2]" 1 755 2 2 VAL HA 2 6 GLU QG . . 4.200 4.252 4.132 4.322 0.122 5 0 "[ . 1 . 2]" 1 756 2 2 VAL HA 2 2 VAL QG . . 2.970 2.143 2.100 2.223 . 0 0 "[ . 1 . 2]" 1 757 2 3 VAL HA 2 4 GLU HA . . 4.900 4.748 4.666 4.783 . 0 0 "[ . 1 . 2]" 1 758 2 23 LYS H 2 23 LYS HG2 . . 4.490 2.590 2.227 4.101 . 0 0 "[ . 1 . 2]" 1 759 2 111 LYS H 2 111 LYS QG . . 4.150 3.670 2.054 3.991 . 0 0 "[ . 1 . 2]" 1 760 2 111 LYS QG 2 112 TYR HD2 . . 4.560 4.121 2.786 4.576 0.016 1 0 "[ . 1 . 2]" 1 761 2 111 LYS QG 2 112 TYR HB2 . . 4.870 4.751 3.753 4.988 0.118 1 0 "[ . 1 . 2]" 1 762 2 77 LEU MD1 2 98 PHE HZ . . 4.640 4.437 4.004 4.661 0.021 13 0 "[ . 1 . 2]" 1 763 2 77 LEU HA 2 77 LEU MD1 . . 3.180 2.023 1.978 2.075 . 0 0 "[ . 1 . 2]" 1 764 2 77 LEU MD1 2 86 ALA MB . . 3.110 3.024 2.663 3.201 0.091 7 0 "[ . 1 . 2]" 1 765 2 107 SER H 2 107 SER HB2 . . 3.500 2.560 2.406 2.591 . 0 0 "[ . 1 . 2]" 1 766 2 107 SER HB2 2 108 VAL H . . 4.160 3.879 2.764 4.052 . 0 0 "[ . 1 . 2]" 1 767 2 64 TYR HA 2 64 TYR QD . . 3.840 3.003 2.742 3.104 . 0 0 "[ . 1 . 2]" 1 768 2 64 TYR HA 2 67 LYS H . . 4.570 3.224 3.060 3.336 . 0 0 "[ . 1 . 2]" 1 769 2 110 LYS H 2 110 LYS HG2 . . 4.620 4.460 4.429 4.486 . 0 0 "[ . 1 . 2]" 1 770 2 110 LYS HG2 2 111 LYS H . . 5.110 4.026 3.835 4.162 . 0 0 "[ . 1 . 2]" 1 771 2 41 ILE HA 2 41 ILE HG12 . . 3.980 2.512 2.270 3.266 . 0 0 "[ . 1 . 2]" 1 772 2 41 ILE HA 2 41 ILE MG . . 2.970 2.407 2.291 2.543 . 0 0 "[ . 1 . 2]" 1 773 2 64 TYR HA 2 65 LEU HG . . 5.500 5.496 5.346 5.566 0.066 18 0 "[ . 1 . 2]" 1 774 2 55 SER HB3 2 56 ARG H . . 4.650 3.539 2.523 3.996 . 0 0 "[ . 1 . 2]" 1 775 2 55 SER H 2 55 SER HB3 . . 4.180 2.817 2.345 3.579 . 0 0 "[ . 1 . 2]" 1 776 2 107 SER HA 2 110 LYS QD . . 4.150 3.985 3.733 4.212 0.062 7 0 "[ . 1 . 2]" 1 777 2 86 ALA H 2 94 THR MG . . 4.950 4.854 4.216 5.109 0.159 12 0 "[ . 1 . 2]" 1 778 2 94 THR MG 2 95 GLN H . . 4.650 3.899 3.814 4.083 . 0 0 "[ . 1 . 2]" 1 779 2 88 GLU H 2 94 THR MG . . 3.680 2.974 2.406 3.670 . 0 0 "[ . 1 . 2]" 1 780 2 94 THR MG 2 97 TYR HB3 . . 4.600 4.371 3.679 4.651 0.051 1 0 "[ . 1 . 2]" 1 781 2 40 ILE HA 2 46 THR MG . . 5.140 4.373 3.994 5.010 . 0 0 "[ . 1 . 2]" 1 782 2 40 ILE MG 2 46 THR MG . . 2.970 2.904 2.502 3.092 0.122 10 0 "[ . 1 . 2]" 1 783 2 21 VAL H 2 21 VAL MG1 . . 3.660 2.857 1.860 3.729 0.069 14 0 "[ . 1 . 2]" 1 784 2 21 VAL MG1 2 75 LYS HA . . 4.220 3.429 2.088 4.208 . 0 0 "[ . 1 . 2]" 1 785 2 97 TYR HA 2 97 TYR QD . . 3.950 2.653 2.474 2.853 . 0 0 "[ . 1 . 2]" 1 786 2 97 TYR HA 2 100 ILE HB . . 4.220 2.411 2.267 2.652 . 0 0 "[ . 1 . 2]" 1 787 2 97 TYR HA 2 101 THR MG . . 4.780 4.126 3.937 4.263 . 0 0 "[ . 1 . 2]" 1 788 2 46 THR MG 2 47 TYR H . . 3.970 2.137 1.649 3.286 . 0 0 "[ . 1 . 2]" 1 789 2 46 THR MG 2 82 ARG H . . 3.320 2.662 1.777 3.119 . 0 0 "[ . 1 . 2]" 1 790 2 46 THR HA 2 46 THR MG . . 3.230 2.142 2.103 2.221 . 0 0 "[ . 1 . 2]" 1 791 2 40 ILE MD 2 46 THR MG . . 5.100 3.547 3.189 4.123 . 0 0 "[ . 1 . 2]" 1 792 2 25 LYS HA 2 27 GLU H . . 4.590 4.325 4.028 4.516 . 0 0 "[ . 1 . 2]" 1 793 2 25 LYS HA 2 25 LYS HG3 . . 4.220 2.936 2.510 3.758 . 0 0 "[ . 1 . 2]" 1 794 2 24 ILE MG 2 25 LYS HA . . 3.720 3.488 3.085 3.737 0.017 1 0 "[ . 1 . 2]" 1 795 2 25 LYS HA 2 65 LEU MD2 . . 3.880 3.836 3.561 3.987 0.107 15 0 "[ . 1 . 2]" 1 796 2 70 VAL H 2 71 THR MG . . 4.280 3.391 3.150 4.294 0.014 11 0 "[ . 1 . 2]" 1 797 2 71 THR H 2 71 THR MG . . 3.690 2.718 2.544 2.780 . 0 0 "[ . 1 . 2]" 1 798 2 71 THR MG 2 72 ASP H . . 4.490 4.131 3.932 4.257 . 0 0 "[ . 1 . 2]" 1 799 2 71 THR MG 2 109 VAL HB . . 4.010 3.868 3.564 4.078 0.068 5 0 "[ . 1 . 2]" 1 800 2 50 VAL HA 2 52 ILE H . . 5.500 4.785 4.643 4.904 . 0 0 "[ . 1 . 2]" 1 801 2 28 ILE H 2 30 THR MG . . 5.060 4.190 3.911 4.888 . 0 0 "[ . 1 . 2]" 1 802 2 30 THR MG 2 31 LYS H . . 4.530 2.808 2.598 2.984 . 0 0 "[ . 1 . 2]" 1 803 2 27 GLU HA 2 30 THR MG . . 4.060 2.640 2.376 3.351 . 0 0 "[ . 1 . 2]" 1 804 2 29 CYS QB 2 30 THR MG . . 4.450 4.463 4.223 4.528 0.078 3 0 "[ . 1 . 2]" 1 805 2 59 TRP HA 2 101 THR MG . . 4.790 3.752 3.506 4.022 . 0 0 "[ . 1 . 2]" 1 806 2 59 TRP HA 2 62 ILE H . . 3.770 3.467 3.337 3.517 . 0 0 "[ . 1 . 2]" 1 807 2 59 TRP HA 2 60 HIS H . . 3.550 3.570 3.557 3.578 0.028 2 0 "[ . 1 . 2]" 1 808 2 58 ASP HA 2 59 TRP HA . . 4.960 4.748 4.723 4.783 . 0 0 "[ . 1 . 2]" 1 809 2 22 GLU HA 2 23 LYS HA . . 4.780 4.696 4.666 4.741 . 0 0 "[ . 1 . 2]" 1 810 2 101 THR MG 2 102 LEU H . . 4.320 3.966 3.909 4.013 . 0 0 "[ . 1 . 2]" 1 811 2 100 ILE HA 2 101 THR MG . . 5.500 5.019 4.972 5.077 . 0 0 "[ . 1 . 2]" 1 812 2 101 THR MG 2 102 LEU HA . . 5.500 5.453 5.418 5.472 . 0 0 "[ . 1 . 2]" 1 813 2 97 TYR HB3 2 101 THR MG . . 4.950 4.940 4.872 4.992 0.042 3 0 "[ . 1 . 2]" 1 814 2 62 ILE MD 2 101 THR MG . . 3.220 2.668 2.418 3.004 . 0 0 "[ . 1 . 2]" 1 815 2 21 VAL MG2 2 22 GLU H . . 4.260 3.767 2.541 4.188 . 0 0 "[ . 1 . 2]" 1 816 2 21 VAL MG2 2 75 LYS HA . . 4.220 2.914 1.928 4.359 0.139 2 0 "[ . 1 . 2]" 1 817 2 21 VAL HA 2 21 VAL MG2 . . 3.350 2.491 2.184 3.238 . 0 0 "[ . 1 . 2]" 1 818 2 22 GLU HA 2 22 GLU QG . . 3.490 3.008 2.435 3.338 . 0 0 "[ . 1 . 2]" 1 819 2 59 TRP HA 2 62 ILE HB . . 3.660 2.546 2.381 2.643 . 0 0 "[ . 1 . 2]" 1 820 2 46 THR HA 2 47 TYR HA . . 4.430 4.249 4.173 4.301 . 0 0 "[ . 1 . 2]" 1 821 2 40 ILE MD 2 46 THR HA . . 4.480 2.508 2.254 3.749 . 0 0 "[ . 1 . 2]" 1 822 2 56 ARG HA 2 56 ARG QD . . 4.740 3.570 2.377 4.135 . 0 0 "[ . 1 . 2]" 1 823 2 56 ARG HA 2 56 ARG QG . . 3.700 2.239 2.062 2.343 . 0 0 "[ . 1 . 2]" 1 824 2 104 LYS HA 2 107 SER H . . 4.490 3.273 3.186 3.337 . 0 0 "[ . 1 . 2]" 1 825 2 59 TRP HH2 2 104 LYS HA . . 4.640 3.939 3.844 4.010 . 0 0 "[ . 1 . 2]" 1 826 2 104 LYS HA 2 104 LYS QD . . 3.760 2.175 1.989 2.594 . 0 0 "[ . 1 . 2]" 1 827 2 104 LYS HA 2 104 LYS QG . . 3.680 2.770 2.316 2.984 . 0 0 "[ . 1 . 2]" 1 828 2 102 LEU H 2 103 SER HA . . 5.310 5.220 5.148 5.252 . 0 0 "[ . 1 . 2]" 1 829 2 26 GLU HA 2 28 ILE H . . 4.710 3.922 3.751 4.016 . 0 0 "[ . 1 . 2]" 1 830 2 26 GLU HA 2 29 CYS QB . . 4.290 2.736 2.157 3.129 . 0 0 "[ . 1 . 2]" 1 831 2 6 GLU HA 2 6 GLU QG . . 3.210 2.752 2.322 2.829 . 0 0 "[ . 1 . 2]" 1 832 2 10 LYS HA 2 11 GLU HA . . 4.820 4.713 4.662 4.762 . 0 0 "[ . 1 . 2]" 1 833 2 10 LYS HA 2 13 VAL HB . . 3.890 3.476 3.239 3.815 . 0 0 "[ . 1 . 2]" 1 834 2 10 LYS HA 2 10 LYS QG . . 3.440 2.719 2.328 2.977 . 0 0 "[ . 1 . 2]" 1 835 2 75 LYS HA 2 75 LYS HG2 . . 3.830 2.874 2.139 3.749 . 0 0 "[ . 1 . 2]" 1 836 2 75 LYS HA 2 75 LYS HG3 . . 3.830 3.458 2.799 3.846 0.016 10 0 "[ . 1 . 2]" 1 837 2 74 ASP HA 2 75 LYS HA . . 4.910 4.752 4.705 4.808 . 0 0 "[ . 1 . 2]" 1 838 2 25 LYS HA 2 26 GLU HA . . 4.870 4.722 4.673 4.752 . 0 0 "[ . 1 . 2]" 1 839 2 25 LYS QE 2 26 GLU HA . . 5.500 4.946 4.242 5.587 0.087 12 0 "[ . 1 . 2]" 1 840 2 75 LYS HA 2 75 LYS HE3 . . 5.500 4.705 4.094 5.773 0.273 2 0 "[ . 1 . 2]" 1 841 2 27 GLU HA 2 30 THR HB . . 5.030 4.286 4.059 4.767 . 0 0 "[ . 1 . 2]" 1 842 2 27 GLU HA 2 28 ILE HA . . 4.700 4.662 4.584 4.711 0.011 15 0 "[ . 1 . 2]" 1 843 2 6 GLU HA 2 9 ARG QB . . 3.430 2.283 2.142 2.481 . 0 0 "[ . 1 . 2]" 1 844 2 2 VAL QG 2 6 GLU HA . . 5.470 5.161 4.951 5.311 . 0 0 "[ . 1 . 2]" 1 845 2 96 LYS HA 2 96 LYS QG . . 3.700 2.562 2.300 3.062 . 0 0 "[ . 1 . 2]" 1 846 2 96 LYS HA 2 99 VAL QG . . 3.590 3.050 2.265 3.612 0.022 4 0 "[ . 1 . 2]" 1 847 2 110 LYS HA 2 112 TYR H . . 4.700 4.116 3.962 4.353 . 0 0 "[ . 1 . 2]" 1 848 2 109 VAL MG1 2 110 LYS HA . . 3.450 3.318 3.237 3.412 . 0 0 "[ . 1 . 2]" 1 849 2 75 LYS HA 2 77 LEU H . . 5.500 4.289 4.031 4.499 . 0 0 "[ . 1 . 2]" 1 850 2 106 TRP HA 2 107 SER HA . . 5.180 4.795 4.783 4.807 . 0 0 "[ . 1 . 2]" 1 851 2 13 VAL MG1 2 14 LYS HA . . 3.970 3.336 3.268 3.400 . 0 0 "[ . 1 . 2]" 1 852 2 14 LYS HA 2 14 LYS QE . . 4.510 4.026 2.615 4.611 0.101 18 0 "[ . 1 . 2]" 1 853 2 7 GLU HA 2 7 GLU QG . . 3.630 2.743 2.321 3.005 . 0 0 "[ . 1 . 2]" 1 854 2 67 LYS HA 2 109 VAL MG1 . . 3.650 2.690 2.213 3.150 . 0 0 "[ . 1 . 2]" 1 855 2 62 ILE H 2 63 LEU HA . . 5.420 5.271 5.245 5.288 . 0 0 "[ . 1 . 2]" 1 856 2 63 LEU HA 2 63 LEU HG . . 3.870 2.810 2.758 2.861 . 0 0 "[ . 1 . 2]" 1 857 2 62 ILE MG 2 63 LEU HA . . 4.180 3.284 3.135 3.350 . 0 0 "[ . 1 . 2]" 1 858 2 106 TRP HA 2 109 VAL H . . 4.280 3.029 2.951 3.107 . 0 0 "[ . 1 . 2]" 1 859 2 106 TRP HA 2 109 VAL HB . . 3.680 2.261 2.116 2.365 . 0 0 "[ . 1 . 2]" 1 860 2 106 TRP HA 2 109 VAL MG2 . . 3.770 3.312 3.108 3.413 . 0 0 "[ . 1 . 2]" 1 861 2 71 THR MG 2 106 TRP HA . . 4.090 4.024 3.778 4.142 0.052 10 0 "[ . 1 . 2]" 1 862 2 12 LEU QD 2 106 TRP HA . . 4.740 4.027 3.867 4.222 . 0 0 "[ . 1 . 2]" 1 863 2 84 SER QB 2 86 ALA MB . . 5.410 3.533 2.956 4.170 . 0 0 "[ . 1 . 2]" 1 864 2 28 ILE HA 2 29 CYS HA . . 4.930 4.763 4.703 4.876 . 0 0 "[ . 1 . 2]" 1 865 2 95 GLN HA 2 97 TYR HB3 . . 5.500 5.374 5.260 5.532 0.032 19 0 "[ . 1 . 2]" 1 866 2 28 ILE MG 2 29 CYS HA . . 3.920 3.220 3.075 3.535 . 0 0 "[ . 1 . 2]" 1 867 2 77 LEU HA 2 78 GLU HA . . 4.850 4.699 4.669 4.763 . 0 0 "[ . 1 . 2]" 1 868 2 111 LYS HA 2 111 LYS QG . . 3.490 2.780 2.473 3.351 . 0 0 "[ . 1 . 2]" 1 869 2 110 LYS HG2 2 111 LYS HA . . 5.340 3.977 3.682 4.197 . 0 0 "[ . 1 . 2]" 1 870 2 82 ARG HA 2 84 SER H . . 4.920 4.411 4.132 4.884 . 0 0 "[ . 1 . 2]" 1 871 2 77 LEU HA 2 79 LEU H . . 4.710 3.813 3.572 4.092 . 0 0 "[ . 1 . 2]" 1 872 2 77 LEU HA 2 80 LEU H . . 4.320 4.194 3.761 4.393 0.073 6 0 "[ . 1 . 2]" 1 873 2 102 LEU HA 2 102 LEU HG . . 3.910 2.887 2.773 2.990 . 0 0 "[ . 1 . 2]" 1 874 2 102 LEU HA 2 105 ALA MB . . 3.220 2.916 2.456 3.161 . 0 0 "[ . 1 . 2]" 1 875 2 62 ILE MG 2 102 LEU HA . . 5.040 3.695 3.129 4.147 . 0 0 "[ . 1 . 2]" 1 876 2 85 LYS H 2 86 ALA MB . . 4.780 4.184 4.085 4.256 . 0 0 "[ . 1 . 2]" 1 877 2 86 ALA MB 2 97 TYR QE . . 3.680 2.791 2.297 3.169 . 0 0 "[ . 1 . 2]" 1 878 2 86 ALA MB 2 98 PHE HA . . 4.730 3.328 2.930 3.791 . 0 0 "[ . 1 . 2]" 1 879 2 86 ALA MB 2 97 TYR HB3 . . 4.520 4.568 4.414 4.630 0.110 14 0 "[ . 1 . 2]" 1 880 2 77 LEU HB2 2 86 ALA MB . . 4.730 4.756 4.546 4.810 0.080 3 0 "[ . 1 . 2]" 1 881 2 76 ILE MG 2 86 ALA MB . . 4.800 3.816 3.187 4.329 . 0 0 "[ . 1 . 2]" 1 882 2 4 GLU HA 2 7 GLU H . . 5.030 3.306 3.085 3.419 . 0 0 "[ . 1 . 2]" 1 883 2 4 GLU HA 2 4 GLU QG . . 3.340 2.446 2.256 3.334 . 0 0 "[ . 1 . 2]" 1 884 2 3 VAL QG 2 4 GLU HA . . 4.390 3.366 3.096 3.658 . 0 0 "[ . 1 . 2]" 1 885 2 88 GLU HA 2 88 GLU QG . . 3.680 2.775 2.552 2.947 . 0 0 "[ . 1 . 2]" 1 886 2 8 LEU HA 2 11 GLU HB3 . . 3.800 2.518 2.351 2.853 . 0 0 "[ . 1 . 2]" 1 887 2 8 LEU HA 2 8 LEU HG . . 4.020 2.693 2.291 3.692 . 0 0 "[ . 1 . 2]" 1 888 2 8 LEU HA 2 8 LEU QD . . 3.240 2.211 2.004 3.350 0.110 6 0 "[ . 1 . 2]" 1 889 2 12 LEU HA 2 15 ARG HB2 . . 4.540 2.615 2.229 2.966 . 0 0 "[ . 1 . 2]" 1 890 2 11 GLU HA 2 12 LEU HA . . 4.920 4.770 4.736 4.794 . 0 0 "[ . 1 . 2]" 1 891 2 12 LEU HA 2 15 ARG HB3 . . 4.540 4.162 3.635 4.582 0.042 4 0 "[ . 1 . 2]" 1 892 2 12 LEU HA 2 12 LEU QD . . 3.230 2.100 1.996 2.498 . 0 0 "[ . 1 . 2]" 1 893 2 46 THR H 2 49 ASP HA . . 5.030 4.927 4.612 5.038 0.008 14 0 "[ . 1 . 2]" 1 894 2 47 TYR H 2 48 ALA MB . . 4.460 4.313 4.242 4.398 . 0 0 "[ . 1 . 2]" 1 895 2 48 ALA MB 2 50 VAL H . . 4.860 4.571 4.506 4.780 . 0 0 "[ . 1 . 2]" 1 896 2 46 THR HB 2 48 ALA MB . . 4.270 3.410 3.034 3.804 . 0 0 "[ . 1 . 2]" 1 897 2 47 TYR HA 2 48 ALA MB . . 5.120 5.002 4.982 5.043 . 0 0 "[ . 1 . 2]" 1 898 2 48 ALA MB 2 49 ASP HA . . 4.100 3.973 3.936 4.005 . 0 0 "[ . 1 . 2]" 1 899 2 24 ILE MG 2 27 GLU H . . 4.800 4.519 4.243 4.734 . 0 0 "[ . 1 . 2]" 1 900 2 24 ILE MG 2 28 ILE H . . 5.040 4.281 4.006 4.482 . 0 0 "[ . 1 . 2]" 1 901 2 24 ILE H 2 24 ILE MG . . 3.930 3.726 3.649 3.751 . 0 0 "[ . 1 . 2]" 1 902 2 24 ILE HA 2 24 ILE MG . . 3.150 2.470 2.412 2.613 . 0 0 "[ . 1 . 2]" 1 903 2 105 ALA H 2 105 ALA MB . . 2.970 2.233 2.220 2.249 . 0 0 "[ . 1 . 2]" 1 904 2 102 LEU H 2 105 ALA MB . . 4.890 4.659 4.536 4.751 . 0 0 "[ . 1 . 2]" 1 905 2 63 LEU H 2 105 ALA MB . . 5.360 4.225 3.988 4.511 . 0 0 "[ . 1 . 2]" 1 906 2 105 ALA MB 2 109 VAL H . . 5.500 4.602 4.460 4.734 . 0 0 "[ . 1 . 2]" 1 907 2 105 ALA MB 2 106 TRP HE3 . . 5.500 5.239 5.117 5.363 . 0 0 "[ . 1 . 2]" 1 908 2 105 ALA MB 2 107 SER H . . 5.500 4.435 4.368 4.478 . 0 0 "[ . 1 . 2]" 1 909 2 59 TRP HZ3 2 105 ALA MB . . 3.720 2.609 2.485 2.720 . 0 0 "[ . 1 . 2]" 1 910 2 71 THR MG 2 105 ALA MB . . 4.990 5.036 4.999 5.110 0.120 10 0 "[ . 1 . 2]" 1 911 2 76 ILE MG 2 77 LEU H . . 4.130 3.426 3.308 3.621 . 0 0 "[ . 1 . 2]" 1 912 2 76 ILE H 2 76 ILE MG . . 4.530 3.713 3.676 3.753 . 0 0 "[ . 1 . 2]" 1 913 2 76 ILE MG 2 98 PHE HZ . . 5.130 4.317 3.823 4.848 . 0 0 "[ . 1 . 2]" 1 914 2 76 ILE MG 2 98 PHE HD2 . . 3.610 3.453 3.047 3.672 0.062 17 0 "[ . 1 . 2]" 1 915 2 76 ILE MG 2 98 PHE HA . . 5.080 4.898 4.130 5.213 0.133 19 0 "[ . 1 . 2]" 1 916 2 76 ILE MG 2 77 LEU HA . . 4.290 3.370 3.267 3.485 . 0 0 "[ . 1 . 2]" 1 917 2 40 ILE MG 2 41 ILE H . . 3.980 3.723 3.544 4.024 0.044 18 0 "[ . 1 . 2]" 1 918 2 40 ILE MG 2 47 TYR HD1 . . 4.210 3.497 3.118 3.693 . 0 0 "[ . 1 . 2]" 1 919 2 40 ILE MG 2 46 THR HA . . 3.950 2.384 2.211 2.533 . 0 0 "[ . 1 . 2]" 1 920 2 40 ILE HA 2 40 ILE MG . . 3.330 2.336 2.262 2.438 . 0 0 "[ . 1 . 2]" 1 921 2 40 ILE MG 2 47 TYR HB3 . . 5.030 5.044 4.702 5.141 0.111 18 0 "[ . 1 . 2]" 1 922 2 40 ILE MD 2 40 ILE MG . . 3.180 1.986 1.957 2.020 . 0 0 "[ . 1 . 2]" 1 923 2 40 ILE MG 2 47 TYR HA . . 4.320 4.120 3.768 4.334 0.014 18 0 "[ . 1 . 2]" 1 924 2 41 ILE MG 2 42 CYS HA . . 4.780 3.361 3.030 3.973 . 0 0 "[ . 1 . 2]" 1 925 2 62 ILE MG 2 101 THR HB . . 4.880 2.529 2.311 2.974 . 0 0 "[ . 1 . 2]" 1 926 2 62 ILE HA 2 62 ILE MG . . 3.440 2.560 2.544 2.605 . 0 0 "[ . 1 . 2]" 1 927 2 62 ILE H 2 62 ILE MG . . 3.770 3.704 3.682 3.717 . 0 0 "[ . 1 . 2]" 1 928 2 62 ILE MG 2 105 ALA H . . 4.920 4.304 4.183 4.416 . 0 0 "[ . 1 . 2]" 1 929 2 62 ILE MG 2 63 LEU H . . 4.080 3.286 3.170 3.337 . 0 0 "[ . 1 . 2]" 1 930 2 62 ILE MG 2 105 ALA MB . . 2.910 2.131 2.007 2.247 . 0 0 "[ . 1 . 2]" 1 931 2 41 ILE H 2 41 ILE MG . . 3.930 3.783 3.715 3.847 . 0 0 "[ . 1 . 2]" 1 932 2 29 CYS H 2 41 ILE MG . . 5.500 4.703 3.494 5.278 . 0 0 "[ . 1 . 2]" 1 933 2 41 ILE MG 2 42 CYS H . . 3.970 3.471 3.149 3.924 . 0 0 "[ . 1 . 2]" 1 934 2 29 CYS HA 2 41 ILE MG . . 5.480 4.903 3.697 5.533 0.053 8 0 "[ . 1 . 2]" 1 935 2 25 LYS QE 2 41 ILE MG . . 4.060 2.609 1.909 3.673 . 0 0 "[ . 1 . 2]" 1 936 2 37 ILE MG 2 41 ILE MG . . 3.510 3.450 3.182 3.598 0.088 20 0 "[ . 1 . 2]" 1 937 2 37 ILE H 2 37 ILE MG . . 3.990 3.730 3.606 3.762 . 0 0 "[ . 1 . 2]" 1 938 2 37 ILE MG 2 42 CYS H . . 4.960 4.490 3.775 4.986 0.026 3 0 "[ . 1 . 2]" 1 939 2 37 ILE MG 2 64 TYR QD . . 4.440 2.988 2.293 3.389 . 0 0 "[ . 1 . 2]" 1 940 2 37 ILE MG 2 64 TYR QE . . 4.100 3.148 2.295 3.845 . 0 0 "[ . 1 . 2]" 1 941 2 37 ILE HA 2 37 ILE MG . . 3.500 2.421 2.338 2.641 . 0 0 "[ . 1 . 2]" 1 942 2 37 ILE MG 2 41 ILE HB . . 3.840 2.825 2.307 3.065 . 0 0 "[ . 1 . 2]" 1 943 2 16 ASP HA 2 71 THR H . . 3.870 3.213 3.041 3.363 . 0 0 "[ . 1 . 2]" 1 944 2 28 ILE MG 2 64 TYR QD . . 4.450 3.042 2.491 3.715 . 0 0 "[ . 1 . 2]" 1 945 2 28 ILE MG 2 64 TYR QE . . 3.610 2.012 1.921 2.175 . 0 0 "[ . 1 . 2]" 1 946 2 28 ILE HA 2 28 ILE MG . . 3.240 2.532 2.476 2.609 . 0 0 "[ . 1 . 2]" 1 947 2 28 ILE MG 2 68 HIS HB2 . . 4.770 4.596 3.963 4.900 0.130 15 0 "[ . 1 . 2]" 1 948 2 40 ILE MD 2 52 ILE MG . . 3.370 3.379 3.090 3.447 0.077 17 0 "[ . 1 . 2]" 1 949 2 78 GLU HA 2 79 LEU HA . . 5.000 4.779 4.697 4.841 . 0 0 "[ . 1 . 2]" 1 950 2 52 ILE MG 2 57 GLY H . . 4.380 3.570 3.020 3.835 . 0 0 "[ . 1 . 2]" 1 951 2 52 ILE MG 2 53 ASP H . . 4.530 3.608 3.480 3.700 . 0 0 "[ . 1 . 2]" 1 952 2 47 TYR HD1 2 52 ILE MG . . 3.390 2.290 2.066 2.783 . 0 0 "[ . 1 . 2]" 1 953 2 47 TYR HA 2 52 ILE MG . . 3.400 2.435 2.202 2.881 . 0 0 "[ . 1 . 2]" 1 954 2 47 TYR HB3 2 52 ILE MG . . 3.780 2.151 2.003 2.380 . 0 0 "[ . 1 . 2]" 1 955 2 87 LYS HA 2 87 LYS QG . . 3.310 2.695 2.226 3.338 0.028 13 0 "[ . 1 . 2]" 1 956 2 79 LEU HA 2 79 LEU HG . . 3.740 3.120 2.689 3.624 . 0 0 "[ . 1 . 2]" 1 957 2 59 TRP HH2 2 105 ALA HA . . 3.710 2.721 2.609 2.853 . 0 0 "[ . 1 . 2]" 1 958 2 105 ALA HA 2 109 VAL HB . . 5.480 5.482 5.293 5.556 0.076 15 0 "[ . 1 . 2]" 1 959 2 31 LYS HA 2 31 LYS HG2 . . 4.060 2.768 2.317 3.265 . 0 0 "[ . 1 . 2]" 1 960 2 31 LYS HA 2 31 LYS HG3 . . 4.060 3.357 2.858 3.808 . 0 0 "[ . 1 . 2]" 1 961 2 53 ASP HA 2 56 ARG QB . . 4.680 4.742 4.580 4.846 0.166 6 0 "[ . 1 . 2]" 1 962 2 15 ARG HA 2 15 ARG QG . . 3.540 2.549 2.214 2.845 . 0 0 "[ . 1 . 2]" 1 963 2 48 ALA HA 2 49 ASP HA . . 4.790 4.707 4.690 4.734 . 0 0 "[ . 1 . 2]" 1 964 2 48 ALA HA 2 52 ILE H . . 4.970 4.518 4.031 4.743 . 0 0 "[ . 1 . 2]" 1 965 2 24 ILE H 2 24 ILE MD . . 3.720 3.398 2.165 3.574 . 0 0 "[ . 1 . 2]" 1 966 2 19 LYS QE 2 24 ILE MD . . 5.300 4.578 3.228 5.355 0.055 6 0 "[ . 1 . 2]" 1 967 2 24 ILE HB 2 24 ILE MD . . 3.580 2.379 2.343 2.438 . 0 0 "[ . 1 . 2]" 1 968 2 21 VAL H 2 24 ILE MD . . 4.710 4.238 3.977 4.623 . 0 0 "[ . 1 . 2]" 1 969 2 86 ALA HA 2 97 TYR HB3 . . 4.580 4.169 3.791 4.506 . 0 0 "[ . 1 . 2]" 1 970 2 77 LEU MD1 2 86 ALA HA . . 5.500 4.958 4.700 5.256 . 0 0 "[ . 1 . 2]" 1 971 2 86 ALA HA 2 97 TYR QD . . 3.760 2.786 2.332 3.215 . 0 0 "[ . 1 . 2]" 1 972 2 86 ALA HA 2 97 TYR QE . . 4.440 4.020 3.520 4.427 . 0 0 "[ . 1 . 2]" 1 973 2 62 ILE MD 2 63 LEU H . . 4.740 4.759 4.695 4.788 0.048 18 0 "[ . 1 . 2]" 1 974 2 58 ASP HA 2 62 ILE MD . . 4.180 3.868 3.674 4.173 . 0 0 "[ . 1 . 2]" 1 975 2 59 TRP HA 2 62 ILE MD . . 4.600 2.872 2.634 2.999 . 0 0 "[ . 1 . 2]" 1 976 2 62 ILE MD 2 101 THR HB . . 4.890 2.233 2.112 2.398 . 0 0 "[ . 1 . 2]" 1 977 2 62 ILE HA 2 62 ILE MD . . 3.900 3.778 3.763 3.802 . 0 0 "[ . 1 . 2]" 1 978 2 62 ILE MD 2 65 LEU MD1 . . 5.500 4.869 4.437 5.138 . 0 0 "[ . 1 . 2]" 1 979 2 28 ILE H 2 28 ILE MD . . 3.890 3.691 3.480 3.893 0.003 16 0 "[ . 1 . 2]" 1 980 2 28 ILE MD 2 64 TYR QD . . 4.180 3.044 2.352 4.011 . 0 0 "[ . 1 . 2]" 1 981 2 28 ILE MD 2 64 TYR QE . . 3.620 3.186 2.289 3.658 0.038 9 0 "[ . 1 . 2]" 1 982 2 28 ILE HA 2 28 ILE MD . . 3.950 3.772 3.737 3.806 . 0 0 "[ . 1 . 2]" 1 983 2 25 LYS HA 2 28 ILE MD . . 3.810 3.150 2.155 3.754 . 0 0 "[ . 1 . 2]" 1 984 2 47 TYR HD1 2 52 ILE MD . . 4.560 3.639 3.258 4.400 . 0 0 "[ . 1 . 2]" 1 985 2 52 ILE MD 2 56 ARG QB . . 4.040 2.934 2.266 3.470 . 0 0 "[ . 1 . 2]" 1 986 2 52 ILE HB 2 52 ILE MD . . 3.380 2.310 2.282 2.346 . 0 0 "[ . 1 . 2]" 1 987 2 97 TYR QD 2 100 ILE MD . . 5.080 3.297 2.909 3.740 . 0 0 "[ . 1 . 2]" 1 988 2 100 ILE H 2 100 ILE MD . . 4.190 3.544 3.500 3.601 . 0 0 "[ . 1 . 2]" 1 989 2 97 TYR HA 2 100 ILE MD . . 3.860 2.250 2.113 2.538 . 0 0 "[ . 1 . 2]" 1 990 2 100 ILE HA 2 100 ILE MD . . 4.030 3.797 3.780 3.815 . 0 0 "[ . 1 . 2]" 1 991 2 100 ILE MD 2 101 THR H . . 5.320 4.670 4.626 4.711 . 0 0 "[ . 1 . 2]" 1 992 2 76 ILE MD 2 77 LEU H . . 4.680 4.516 3.901 4.749 0.069 14 0 "[ . 1 . 2]" 1 993 2 76 ILE H 2 76 ILE MD . . 4.080 3.060 1.832 3.672 . 0 0 "[ . 1 . 2]" 1 994 2 76 ILE MD 2 98 PHE HZ . . 5.170 4.594 3.717 4.971 . 0 0 "[ . 1 . 2]" 1 995 2 76 ILE HA 2 76 ILE MD . . 4.290 3.612 3.003 3.831 . 0 0 "[ . 1 . 2]" 1 996 2 41 ILE H 2 41 ILE MD . . 4.190 3.860 3.295 4.020 . 0 0 "[ . 1 . 2]" 1 997 2 41 ILE MD 2 64 TYR QD . . 5.250 4.210 2.999 5.310 0.060 19 0 "[ . 1 . 2]" 1 998 2 41 ILE MD 2 61 VAL HA . . 4.690 3.612 2.411 4.528 . 0 0 "[ . 1 . 2]" 1 999 2 37 ILE HA 2 41 ILE MD . . 4.920 3.707 3.259 4.175 . 0 0 "[ . 1 . 2]" 1 1000 2 41 ILE HB 2 41 ILE MD . . 3.490 2.634 2.404 3.262 . 0 0 "[ . 1 . 2]" 1 1001 2 37 ILE MD 2 41 ILE MD . . 3.650 3.042 2.576 3.489 . 0 0 "[ . 1 . 2]" 1 1002 2 37 ILE MG 2 41 ILE MD . . 3.490 2.353 1.907 3.569 0.079 4 0 "[ . 1 . 2]" 1 1003 2 40 ILE MD 2 47 TYR HA . . 3.740 2.434 2.156 2.658 . 0 0 "[ . 1 . 2]" 1 1004 2 40 ILE MD 2 50 VAL HA . . 5.200 5.175 5.011 5.278 0.078 20 0 "[ . 1 . 2]" 1 1005 2 40 ILE MD 2 47 TYR HB3 . . 5.030 4.128 3.550 4.406 . 0 0 "[ . 1 . 2]" 1 1006 2 40 ILE MD 2 47 TYR H . . 4.700 2.994 2.796 3.432 . 0 0 "[ . 1 . 2]" 1 1007 2 40 ILE H 2 40 ILE MD . . 4.100 3.563 3.318 3.830 . 0 0 "[ . 1 . 2]" 1 1008 2 40 ILE MD 2 47 TYR HD1 . . 3.780 3.135 2.233 3.467 . 0 0 "[ . 1 . 2]" 1 1009 2 40 ILE HA 2 40 ILE MD . . 3.860 2.231 1.994 3.779 . 0 0 "[ . 1 . 2]" 1 1010 2 37 ILE H 2 37 ILE MD . . 4.710 3.306 2.343 3.795 . 0 0 "[ . 1 . 2]" 1 1011 2 37 ILE MD 2 64 TYR QD . . 3.990 3.241 2.334 3.674 . 0 0 "[ . 1 . 2]" 1 1012 2 37 ILE MD 2 64 TYR QE . . 4.990 4.541 3.493 5.025 0.035 20 0 "[ . 1 . 2]" 1 1013 2 37 ILE MD 2 61 VAL HA . . 3.300 2.227 2.059 2.540 . 0 0 "[ . 1 . 2]" 1 1014 2 37 ILE HA 2 37 ILE MD . . 3.820 2.013 1.938 2.269 . 0 0 "[ . 1 . 2]" 1 1015 2 40 ILE MG 2 47 TYR HD2 . . 4.740 4.303 4.124 4.448 . 0 0 "[ . 1 . 2]" 1 1016 2 46 THR MG 2 47 TYR HD2 . . 3.690 2.795 2.233 3.763 0.073 18 0 "[ . 1 . 2]" 1 1017 2 5 PHE HA 2 5 PHE HD2 . . 3.400 2.741 2.399 3.101 . 0 0 "[ . 1 . 2]" 1 1018 2 5 PHE QB 2 5 PHE HD2 . . 2.990 2.537 2.425 2.714 . 0 0 "[ . 1 . 2]" 1 1019 2 5 PHE HE2 2 99 VAL HB . . 4.750 4.706 3.958 4.845 0.095 4 0 "[ . 1 . 2]" 1 1020 2 5 PHE HE2 2 99 VAL QG . . 3.500 2.196 2.074 2.303 . 0 0 "[ . 1 . 2]" 1 1021 2 86 ALA HA 2 98 PHE HD2 . . 4.570 4.643 4.427 4.733 0.163 14 0 "[ . 1 . 2]" 1 1022 2 98 PHE HA 2 98 PHE HD2 . . 3.260 2.824 2.567 3.045 . 0 0 "[ . 1 . 2]" 1 1023 2 86 ALA MB 2 98 PHE HD2 . . 3.620 2.367 2.199 2.571 . 0 0 "[ . 1 . 2]" 1 1024 2 77 LEU MD1 2 98 PHE HD2 . . 5.420 3.652 3.199 4.266 . 0 0 "[ . 1 . 2]" 1 1025 2 98 PHE HD2 2 102 LEU MD1 . . 5.500 4.319 3.738 4.790 . 0 0 "[ . 1 . 2]" 1 1026 2 98 PHE HD2 2 102 LEU MD2 . . 5.500 5.156 4.813 5.564 0.064 14 0 "[ . 1 . 2]" 1 1027 2 86 ALA MB 2 98 PHE HE2 . . 3.970 3.960 3.655 4.071 0.101 19 0 "[ . 1 . 2]" 1 1028 2 77 LEU HA 2 98 PHE HE2 . . 5.110 3.592 2.902 4.331 . 0 0 "[ . 1 . 2]" 1 1029 2 91 LYS QB 2 92 TRP HD1 . . 5.350 5.196 3.924 5.521 0.171 6 0 "[ . 1 . 2]" 1 1030 2 106 TRP QB 2 106 TRP HD1 . . 2.990 2.486 2.475 2.497 . 0 0 "[ . 1 . 2]" 1 1031 2 11 GLU HB3 2 106 TRP HD1 . . 4.570 4.644 4.552 4.714 0.144 4 0 "[ . 1 . 2]" 1 1032 2 106 TRP HD1 2 110 LYS QD . . 4.740 3.925 3.739 4.182 . 0 0 "[ . 1 . 2]" 1 1033 2 12 LEU QD 2 106 TRP HD1 . . 3.930 3.444 2.851 3.897 . 0 0 "[ . 1 . 2]" 1 1034 2 106 TRP HA 2 106 TRP HD1 . . 4.910 4.598 4.568 4.642 . 0 0 "[ . 1 . 2]" 1 1035 2 8 LEU HA 2 106 TRP HD1 . . 4.720 4.619 4.154 4.763 0.043 8 0 "[ . 1 . 2]" 1 1036 2 59 TRP HD1 2 63 LEU HG . . 5.400 4.919 4.761 5.084 . 0 0 "[ . 1 . 2]" 1 1037 2 59 TRP HD1 2 60 HIS HD2 . . 4.710 4.718 4.426 4.828 0.118 19 0 "[ . 1 . 2]" 1 1038 2 15 ARG HB3 2 106 TRP HH2 . . 5.500 4.580 4.224 4.989 . 0 0 "[ . 1 . 2]" 1 1039 2 106 TRP HH2 2 110 LYS HG3 . . 4.630 4.167 3.761 4.360 . 0 0 "[ . 1 . 2]" 1 1040 2 12 LEU QD 2 106 TRP HH2 . . 5.350 5.035 4.746 5.364 0.014 7 0 "[ . 1 . 2]" 1 1041 2 15 ARG HA 2 106 TRP HH2 . . 5.500 5.514 5.383 5.582 0.082 7 0 "[ . 1 . 2]" 1 1042 2 15 ARG HB2 2 106 TRP HH2 . . 5.500 4.898 4.711 5.094 . 0 0 "[ . 1 . 2]" 1 1043 2 15 ARG QG 2 106 TRP HH2 . . 3.880 2.568 2.346 2.771 . 0 0 "[ . 1 . 2]" 1 1044 2 59 TRP HH2 2 104 LYS QG . . 4.960 4.077 3.930 4.223 . 0 0 "[ . 1 . 2]" 1 1045 2 59 TRP HH2 2 104 LYS HB3 . . 3.750 2.226 2.075 2.305 . 0 0 "[ . 1 . 2]" 1 1046 2 59 TRP HH2 2 105 ALA MB . . 4.470 3.600 3.418 3.713 . 0 0 "[ . 1 . 2]" 1 1047 2 59 TRP HH2 2 108 VAL HB . . 5.140 4.543 4.260 4.810 . 0 0 "[ . 1 . 2]" 1 1048 2 106 TRP HE3 2 109 VAL HB . . 3.390 2.752 2.510 2.980 . 0 0 "[ . 1 . 2]" 1 1049 2 12 LEU QD 2 106 TRP HE3 . . 4.220 3.373 3.080 3.790 . 0 0 "[ . 1 . 2]" 1 1050 2 106 TRP HA 2 106 TRP HE3 . . 3.160 2.457 2.398 2.507 . 0 0 "[ . 1 . 2]" 1 1051 2 106 TRP QB 2 106 TRP HE3 . . 3.600 2.916 2.892 2.950 . 0 0 "[ . 1 . 2]" 1 1052 2 106 TRP HE3 2 109 VAL MG2 . . 3.940 3.757 3.506 3.955 0.015 12 0 "[ . 1 . 2]" 1 1053 2 91 LYS QB 2 92 TRP HE3 . . 5.500 4.075 2.822 5.614 0.114 5 0 "[ . 1 . 2]" 1 1054 2 68 HIS HA 2 68 HIS HD2 . . 3.800 2.450 2.174 4.182 0.382 19 0 "[ . 1 . 2]" 1 1055 2 68 HIS HB2 2 68 HIS HD2 . . 3.510 3.193 2.717 3.737 0.227 19 0 "[ . 1 . 2]" 1 1056 2 12 LEU QD 2 106 TRP HZ3 . . 4.860 4.461 4.092 4.883 0.023 2 0 "[ . 1 . 2]" 1 1057 2 106 TRP HA 2 106 TRP HZ3 . . 4.690 4.708 4.667 4.752 0.062 7 0 "[ . 1 . 2]" 1 1058 2 15 ARG HB2 2 106 TRP HZ3 . . 4.760 4.741 4.567 4.836 0.076 11 0 "[ . 1 . 2]" 1 1059 2 106 TRP HZ3 2 109 VAL HB . . 4.820 3.945 3.724 4.181 . 0 0 "[ . 1 . 2]" 1 1060 2 71 THR MG 2 106 TRP HZ3 . . 4.000 2.422 2.272 2.623 . 0 0 "[ . 1 . 2]" 1 1061 2 59 TRP HA 2 59 TRP HZ3 . . 5.400 5.023 4.967 5.100 . 0 0 "[ . 1 . 2]" 1 1062 2 59 TRP HZ3 2 101 THR HB . . 5.500 4.008 3.829 4.251 . 0 0 "[ . 1 . 2]" 1 1063 2 59 TRP HZ3 2 104 LYS QD . . 5.480 5.068 4.592 5.323 . 0 0 "[ . 1 . 2]" 1 1064 2 59 TRP HZ3 2 105 ALA HA . . 4.440 3.436 3.244 3.678 . 0 0 "[ . 1 . 2]" 1 1065 2 59 TRP HZ3 2 101 THR MG . . 4.400 3.925 3.655 4.322 . 0 0 "[ . 1 . 2]" 1 1066 2 15 ARG HB3 2 106 TRP HZ3 . . 4.660 4.070 3.833 4.346 . 0 0 "[ . 1 . 2]" 1 1067 2 59 TRP HZ3 2 104 LYS HB2 . . 3.610 2.350 2.159 2.732 . 0 0 "[ . 1 . 2]" 1 1068 2 56 ARG HA 2 60 HIS HD2 . . 4.260 4.059 3.665 4.379 0.119 11 0 "[ . 1 . 2]" 1 1069 2 60 HIS HA 2 60 HIS HD2 . . 4.520 4.448 4.354 4.496 . 0 0 "[ . 1 . 2]" 1 1070 2 60 HIS QB 2 60 HIS HD2 . . 3.740 2.547 2.529 2.571 . 0 0 "[ . 1 . 2]" 1 1071 2 56 ARG QB 2 60 HIS HD2 . . 3.470 2.756 2.338 3.569 0.099 14 0 "[ . 1 . 2]" 1 1072 2 56 ARG QG 2 60 HIS HD2 . . 4.320 3.644 2.323 4.491 0.171 1 0 "[ . 1 . 2]" 1 1073 2 60 HIS HD2 2 61 VAL MG1 . . 5.500 5.284 5.132 5.422 . 0 0 "[ . 1 . 2]" 1 1074 2 52 ILE MD 2 60 HIS HD2 . . 4.290 2.457 2.166 2.942 . 0 0 "[ . 1 . 2]" 1 1075 2 59 TRP HE3 2 104 LYS HB2 . . 5.150 4.424 4.230 4.750 . 0 0 "[ . 1 . 2]" 1 1076 2 59 TRP HA 2 59 TRP HE3 . . 3.470 2.781 2.709 2.873 . 0 0 "[ . 1 . 2]" 1 1077 2 59 TRP HE3 2 101 THR MG . . 3.870 2.697 2.429 2.989 . 0 0 "[ . 1 . 2]" 1 1078 2 47 TYR HB2 2 47 TYR HE2 . . 4.720 4.662 4.622 4.707 . 0 0 "[ . 1 . 2]" 1 1079 2 46 THR MG 2 47 TYR HE2 . . 3.620 3.232 2.940 3.694 0.074 11 0 "[ . 1 . 2]" 1 1080 2 40 ILE MG 2 47 TYR HE2 . . 3.730 3.741 3.556 3.847 0.117 7 0 "[ . 1 . 2]" 1 1081 2 111 LYS QG 2 112 TYR HE2 . . 4.820 4.569 3.503 4.884 0.064 15 0 "[ . 1 . 2]" 1 1082 2 11 GLU HA 2 106 TRP HZ2 . . 5.310 5.350 5.089 5.412 0.102 14 0 "[ . 1 . 2]" 1 1083 2 59 TRP HZ2 2 104 LYS HB3 . . 4.930 4.086 3.939 4.214 . 0 0 "[ . 1 . 2]" 1 1084 2 11 GLU HG2 2 106 TRP HZ2 . . 4.420 2.438 2.273 2.578 . 0 0 "[ . 1 . 2]" 1 1085 2 11 GLU HB3 2 106 TRP HZ2 . . 4.410 4.442 4.286 4.534 0.124 7 0 "[ . 1 . 2]" 1 1086 2 15 ARG QG 2 106 TRP HZ2 . . 3.800 3.522 3.265 3.731 . 0 0 "[ . 1 . 2]" 1 1087 2 106 TRP HZ2 2 110 LYS QD . . 4.010 2.925 2.497 3.319 . 0 0 "[ . 1 . 2]" 1 1088 2 106 TRP HZ2 2 110 LYS HG2 . . 4.790 4.892 4.765 4.939 0.149 2 0 "[ . 1 . 2]" 1 1089 2 106 TRP HZ2 2 110 LYS HG3 . . 4.090 3.279 3.181 3.432 . 0 0 "[ . 1 . 2]" 1 1090 2 12 LEU QD 2 106 TRP HZ2 . . 5.120 4.698 4.305 5.123 0.003 20 0 "[ . 1 . 2]" 1 1091 2 59 TRP HZ2 2 105 ALA HA . . 4.870 4.279 4.097 4.368 . 0 0 "[ . 1 . 2]" 1 1092 2 59 TRP HZ2 2 108 VAL HB . . 5.210 4.935 4.694 5.153 . 0 0 "[ . 1 . 2]" 1 1093 2 59 TRP HZ2 2 63 LEU HG . . 4.750 4.185 3.954 4.392 . 0 0 "[ . 1 . 2]" 1 1094 2 5 PHE HA 2 8 LEU QB . . 4.610 2.793 2.405 4.014 . 0 0 "[ . 1 . 2]" 1 1095 2 5 PHE QB 2 6 GLU QB . . 4.890 4.710 4.594 4.801 . 0 0 "[ . 1 . 2]" 1 1096 2 6 GLU H 2 6 GLU QB . . 3.150 2.328 2.311 2.364 . 0 0 "[ . 1 . 2]" 1 1097 2 6 GLU QB 2 7 GLU H . . 4.160 2.845 2.783 2.945 . 0 0 "[ . 1 . 2]" 1 1098 2 6 GLU QB 2 9 ARG H . . 5.340 4.674 4.535 4.790 . 0 0 "[ . 1 . 2]" 1 1099 2 7 GLU H 2 8 LEU QB . . 5.330 4.457 4.166 4.729 . 0 0 "[ . 1 . 2]" 1 1100 2 8 LEU H 2 8 LEU QB . . 3.100 2.245 2.072 2.409 . 0 0 "[ . 1 . 2]" 1 1101 2 8 LEU QB 2 9 ARG H . . 3.440 2.900 2.718 3.635 0.195 6 0 "[ . 1 . 2]" 1 1102 2 11 GLU H 2 11 GLU QG . . 4.620 3.995 3.932 4.058 . 0 0 "[ . 1 . 2]" 1 1103 2 11 GLU HA 2 11 GLU QG . . 3.650 2.546 2.184 2.942 . 0 0 "[ . 1 . 2]" 1 1104 2 11 GLU QG 2 12 LEU H . . 4.710 3.876 3.686 4.089 . 0 0 "[ . 1 . 2]" 1 1105 2 11 GLU QG 2 12 LEU HA . . 5.340 3.893 3.626 4.224 . 0 0 "[ . 1 . 2]" 1 1106 2 11 GLU QG 2 15 ARG QG . . 5.010 3.007 2.591 3.495 . 0 0 "[ . 1 . 2]" 1 1107 2 11 GLU QG 2 106 TRP HE1 . . 4.140 2.725 1.925 3.328 . 0 0 "[ . 1 . 2]" 1 1108 2 11 GLU QG 2 106 TRP HZ2 . . 3.800 2.320 2.157 2.481 . 0 0 "[ . 1 . 2]" 1 1109 2 12 LEU H 2 12 LEU QB . . 3.190 2.275 2.132 2.363 . 0 0 "[ . 1 . 2]" 1 1110 2 12 LEU QB 2 13 VAL H . . 3.510 2.840 2.688 2.987 . 0 0 "[ . 1 . 2]" 1 1111 2 13 VAL MG1 2 14 LYS QG . . 4.950 2.822 2.266 4.699 . 0 0 "[ . 1 . 2]" 1 1112 2 14 LYS H 2 14 LYS QG . . 4.570 2.763 2.416 3.943 . 0 0 "[ . 1 . 2]" 1 1113 2 14 LYS HA 2 14 LYS QG . . 3.530 2.541 2.272 2.905 . 0 0 "[ . 1 . 2]" 1 1114 2 14 LYS QG 2 15 ARG H . . 5.170 4.214 3.733 4.369 . 0 0 "[ . 1 . 2]" 1 1115 2 15 ARG H 2 15 ARG QB . . 3.200 2.218 2.053 2.372 . 0 0 "[ . 1 . 2]" 1 1116 2 15 ARG HA 2 15 ARG QD . . 3.710 2.452 1.962 3.323 . 0 0 "[ . 1 . 2]" 1 1117 2 15 ARG QB 2 15 ARG QD . . 3.170 2.308 2.273 2.348 . 0 0 "[ . 1 . 2]" 1 1118 2 15 ARG QB 2 16 ASP H . . 3.860 3.413 3.294 3.513 . 0 0 "[ . 1 . 2]" 1 1119 2 15 ARG QB 2 70 VAL HA . . 4.690 3.274 2.975 3.592 . 0 0 "[ . 1 . 2]" 1 1120 2 15 ARG QB 2 71 THR H . . 5.340 2.381 2.085 2.599 . 0 0 "[ . 1 . 2]" 1 1121 2 15 ARG QB 2 106 TRP HZ3 . . 4.070 3.846 3.646 4.035 . 0 0 "[ . 1 . 2]" 1 1122 2 15 ARG QB 2 106 TRP HH2 . . 4.630 4.192 3.945 4.422 . 0 0 "[ . 1 . 2]" 1 1123 2 15 ARG QD 2 70 VAL HA . . 4.290 3.816 3.212 4.165 . 0 0 "[ . 1 . 2]" 1 1124 2 15 ARG QD 2 106 TRP HZ3 . . 4.140 2.939 2.327 3.251 . 0 0 "[ . 1 . 2]" 1 1125 2 15 ARG QD 2 113 LEU QD . . 4.850 3.002 2.289 3.490 . 0 0 "[ . 1 . 2]" 1 1126 2 17 SER H 2 17 SER QB . . 3.190 2.369 2.228 2.625 . 0 0 "[ . 1 . 2]" 1 1127 2 17 SER H 2 70 VAL QG . . 4.550 2.087 1.914 2.254 . 0 0 "[ . 1 . 2]" 1 1128 2 17 SER QB 2 18 GLY H . . 3.720 3.403 3.114 3.785 0.065 13 0 "[ . 1 . 2]" 1 1129 2 17 SER QB 2 19 LYS H . . 3.930 2.984 2.622 3.612 . 0 0 "[ . 1 . 2]" 1 1130 2 17 SER QB 2 19 LYS QG . . 4.760 3.233 2.165 4.345 . 0 0 "[ . 1 . 2]" 1 1131 2 17 SER QB 2 19 LYS QE . . 4.140 2.892 2.019 3.692 . 0 0 "[ . 1 . 2]" 1 1132 2 17 SER QB 2 24 ILE QG . . 5.180 4.356 3.617 5.011 . 0 0 "[ . 1 . 2]" 1 1133 2 17 SER QB 2 24 ILE MD . . 4.780 3.590 2.739 4.486 . 0 0 "[ . 1 . 2]" 1 1134 2 17 SER QB 2 70 VAL QG . . 4.000 2.101 1.916 2.432 . 0 0 "[ . 1 . 2]" 1 1135 2 18 GLY H 2 19 LYS QG . . 4.840 4.432 3.760 4.716 . 0 0 "[ . 1 . 2]" 1 1136 2 18 GLY H 2 70 VAL QG . . 5.440 3.983 3.733 4.230 . 0 0 "[ . 1 . 2]" 1 1137 2 18 GLY QA 2 19 LYS QE . . 5.170 5.197 4.690 5.328 0.158 7 0 "[ . 1 . 2]" 1 1138 2 19 LYS H 2 19 LYS QG . . 3.160 2.422 2.131 3.191 0.031 20 0 "[ . 1 . 2]" 1 1139 2 19 LYS QB 2 23 LYS QB . . 4.940 2.885 2.168 3.507 . 0 0 "[ . 1 . 2]" 1 1140 2 21 VAL H 2 75 LYS QB . . 5.340 4.670 3.010 5.412 0.072 10 0 "[ . 1 . 2]" 1 1141 2 21 VAL HA 2 24 ILE QG . . 3.740 3.085 2.873 3.278 . 0 0 "[ . 1 . 2]" 1 1142 2 21 VAL HA 2 75 LYS QE . . 4.700 3.874 2.889 4.779 0.079 16 0 "[ . 1 . 2]" 1 1143 2 21 VAL QG 2 22 GLU H . . 3.500 2.926 2.409 3.525 0.025 18 0 "[ . 1 . 2]" 1 1144 2 21 VAL QG 2 22 GLU QB . . 5.440 3.801 3.148 4.540 . 0 0 "[ . 1 . 2]" 1 1145 2 21 VAL QG 2 22 GLU QG . . 5.440 4.595 3.615 5.421 . 0 0 "[ . 1 . 2]" 1 1146 2 21 VAL QG 2 24 ILE H . . 5.420 3.970 3.637 4.353 . 0 0 "[ . 1 . 2]" 1 1147 2 21 VAL QG 2 75 LYS HA . . 3.310 2.571 1.779 3.356 0.046 19 0 "[ . 1 . 2]" 1 1148 2 21 VAL QG 2 75 LYS QE . . 3.600 3.345 2.147 3.772 0.172 17 0 "[ . 1 . 2]" 1 1149 2 21 VAL QG 2 76 ILE H . . 4.480 4.478 4.102 4.568 0.088 3 0 "[ . 1 . 2]" 1 1150 2 21 VAL QG 2 79 LEU H . . 4.530 3.462 2.816 4.124 . 0 0 "[ . 1 . 2]" 1 1151 2 21 VAL QG 2 79 LEU HA . . 4.960 2.748 2.130 3.782 . 0 0 "[ . 1 . 2]" 1 1152 2 21 VAL QG 2 79 LEU HG . . 4.910 3.991 2.059 4.819 . 0 0 "[ . 1 . 2]" 1 1153 2 21 VAL QG 2 79 LEU MD1 . . 2.560 2.463 2.082 2.627 0.067 7 0 "[ . 1 . 2]" 1 1154 2 22 GLU QG 2 23 LYS QG . . 4.650 3.019 2.121 3.952 . 0 0 "[ . 1 . 2]" 1 1155 2 23 LYS H 2 23 LYS QB . . 2.860 2.422 2.132 2.501 . 0 0 "[ . 1 . 2]" 1 1156 2 23 LYS H 2 23 LYS QG . . 3.900 2.367 2.173 3.700 . 0 0 "[ . 1 . 2]" 1 1157 2 23 LYS H 2 23 LYS QD . . 3.900 3.447 2.545 3.804 . 0 0 "[ . 1 . 2]" 1 1158 2 23 LYS H 2 24 ILE QG . . 5.110 3.899 3.619 5.170 0.060 13 0 "[ . 1 . 2]" 1 1159 2 23 LYS HA 2 26 GLU QG . . 4.980 3.346 2.366 3.889 . 0 0 "[ . 1 . 2]" 1 1160 2 23 LYS QB 2 24 ILE H . . 3.290 2.809 2.652 3.047 . 0 0 "[ . 1 . 2]" 1 1161 2 23 LYS QB 2 24 ILE HA . . 4.720 3.939 3.865 3.998 . 0 0 "[ . 1 . 2]" 1 1162 2 24 ILE H 2 27 GLU QG . . 5.340 4.996 4.614 5.217 . 0 0 "[ . 1 . 2]" 1 1163 2 24 ILE HA 2 27 GLU QB . . 4.030 2.554 2.258 2.917 . 0 0 "[ . 1 . 2]" 1 1164 2 24 ILE HA 2 27 GLU QG . . 4.910 3.386 2.885 3.902 . 0 0 "[ . 1 . 2]" 1 1165 2 24 ILE MD 2 75 LYS QE . . 5.340 2.500 1.887 3.991 . 0 0 "[ . 1 . 2]" 1 1166 2 25 LYS H 2 25 LYS QB . . 2.910 2.299 2.126 2.676 . 0 0 "[ . 1 . 2]" 1 1167 2 25 LYS H 2 25 LYS QG . . 4.060 3.302 1.794 3.937 . 0 0 "[ . 1 . 2]" 1 1168 2 25 LYS HA 2 25 LYS QG . . 3.650 2.777 2.419 3.464 . 0 0 "[ . 1 . 2]" 1 1169 2 25 LYS QB 2 25 LYS QE . . 4.020 3.064 1.895 3.670 . 0 0 "[ . 1 . 2]" 1 1170 2 25 LYS QB 2 26 GLU H . . 3.540 2.963 2.519 3.711 0.171 14 0 "[ . 1 . 2]" 1 1171 2 25 LYS QB 2 26 GLU HA . . 4.610 4.378 4.267 4.565 . 0 0 "[ . 1 . 2]" 1 1172 2 25 LYS QB 2 26 GLU QG . . 4.590 3.496 2.913 4.467 . 0 0 "[ . 1 . 2]" 1 1173 2 25 LYS QB 2 27 GLU H . . 5.340 4.802 4.575 5.123 . 0 0 "[ . 1 . 2]" 1 1174 2 25 LYS QB 2 65 LEU MD2 . . 4.550 4.231 3.459 4.595 0.045 16 0 "[ . 1 . 2]" 1 1175 2 25 LYS QG 2 26 GLU H . . 4.750 3.204 2.346 3.665 . 0 0 "[ . 1 . 2]" 1 1176 2 25 LYS QG 2 26 GLU HA . . 4.610 3.669 3.211 4.676 0.066 15 0 "[ . 1 . 2]" 1 1177 2 25 LYS QG 2 26 GLU QB . . 5.130 4.468 3.821 4.848 . 0 0 "[ . 1 . 2]" 1 1178 2 25 LYS QG 2 26 GLU QG . . 5.180 3.272 2.266 4.906 . 0 0 "[ . 1 . 2]" 1 1179 2 25 LYS QG 2 41 ILE MG . . 4.890 2.610 2.073 3.709 . 0 0 "[ . 1 . 2]" 1 1180 2 25 LYS QG 2 41 ILE MD . . 5.340 4.646 3.790 5.499 0.159 14 0 "[ . 1 . 2]" 1 1181 2 25 LYS QG 2 65 LEU MD2 . . 5.000 4.824 4.184 5.085 0.085 4 0 "[ . 1 . 2]" 1 1182 2 26 GLU H 2 26 GLU QG . . 3.670 2.273 1.934 2.381 . 0 0 "[ . 1 . 2]" 1 1183 2 26 GLU HA 2 26 GLU QG . . 3.600 2.808 2.333 3.343 . 0 0 "[ . 1 . 2]" 1 1184 2 26 GLU QG 2 27 GLU H . . 4.580 4.076 2.435 4.294 . 0 0 "[ . 1 . 2]" 1 1185 2 27 GLU H 2 27 GLU QB . . 3.260 2.289 2.218 2.369 . 0 0 "[ . 1 . 2]" 1 1186 2 27 GLU H 2 27 GLU QG . . 3.250 2.447 2.245 2.735 . 0 0 "[ . 1 . 2]" 1 1187 2 27 GLU HA 2 27 GLU QB . . 2.570 2.430 2.392 2.473 . 0 0 "[ . 1 . 2]" 1 1188 2 27 GLU HA 2 27 GLU QG . . 3.620 2.595 2.281 2.878 . 0 0 "[ . 1 . 2]" 1 1189 2 27 GLU QB 2 28 ILE HA . . 5.340 4.083 4.026 4.129 . 0 0 "[ . 1 . 2]" 1 1190 2 27 GLU QB 2 28 ILE HG12 . . 5.030 4.509 4.265 4.677 . 0 0 "[ . 1 . 2]" 1 1191 2 27 GLU QB 2 28 ILE MD . . 4.260 4.287 4.213 4.322 0.062 18 0 "[ . 1 . 2]" 1 1192 2 27 GLU QB 2 29 CYS H . . 5.240 4.933 4.723 5.027 . 0 0 "[ . 1 . 2]" 1 1193 2 28 ILE HA 2 31 LYS QB . . 5.170 3.314 2.917 3.699 . 0 0 "[ . 1 . 2]" 1 1194 2 28 ILE MG 2 31 LYS QB . . 5.340 3.729 3.056 4.228 . 0 0 "[ . 1 . 2]" 1 1195 2 30 THR HB 2 31 LYS QG . . 5.090 4.854 4.649 5.063 . 0 0 "[ . 1 . 2]" 1 1196 2 30 THR MG 2 31 LYS QB . . 4.560 3.904 3.751 4.142 . 0 0 "[ . 1 . 2]" 1 1197 2 31 LYS H 2 31 LYS QB . . 3.080 2.428 2.321 2.494 . 0 0 "[ . 1 . 2]" 1 1198 2 31 LYS HA 2 31 LYS QG . . 3.480 2.643 2.263 3.088 . 0 0 "[ . 1 . 2]" 1 1199 2 37 ILE H 2 37 ILE QG . . 4.240 2.295 2.077 3.590 . 0 0 "[ . 1 . 2]" 1 1200 2 37 ILE QG 2 37 ILE MG . . 3.140 2.279 2.066 2.319 . 0 0 "[ . 1 . 2]" 1 1201 2 37 ILE QG 2 41 ILE MD . . 4.910 4.421 2.243 5.113 0.203 18 0 "[ . 1 . 2]" 1 1202 2 37 ILE QG 2 64 TYR QE . . 5.150 3.630 3.139 4.289 . 0 0 "[ . 1 . 2]" 1 1203 2 37 ILE MD 2 64 TYR QB . . 3.780 2.387 2.115 2.844 . 0 0 "[ . 1 . 2]" 1 1204 2 39 GLU H 2 39 GLU QB . . 3.670 2.293 2.173 2.379 . 0 0 "[ . 1 . 2]" 1 1205 2 39 GLU H 2 39 GLU QG . . 4.020 2.927 2.246 4.043 0.023 2 0 "[ . 1 . 2]" 1 1206 2 39 GLU HA 2 43 GLU QG . . 3.940 2.681 2.168 3.478 . 0 0 "[ . 1 . 2]" 1 1207 2 39 GLU QB 2 40 ILE H . . 3.500 2.953 2.701 3.155 . 0 0 "[ . 1 . 2]" 1 1208 2 39 GLU QB 2 40 ILE HB . . 5.340 4.716 4.539 4.859 . 0 0 "[ . 1 . 2]" 1 1209 2 39 GLU QG 2 40 ILE H . . 4.720 4.185 3.744 4.369 . 0 0 "[ . 1 . 2]" 1 1210 2 40 ILE HB 2 41 ILE QG . . 3.530 2.920 2.671 3.425 . 0 0 "[ . 1 . 2]" 1 1211 2 40 ILE MG 2 45 LYS QB . . 4.760 4.684 3.973 4.828 0.068 6 0 "[ . 1 . 2]" 1 1212 2 40 ILE QG 2 47 TYR HA . . 4.890 3.946 3.392 4.200 . 0 0 "[ . 1 . 2]" 1 1213 2 40 ILE QG 2 47 TYR HD1 . . 4.480 3.461 2.869 4.519 0.039 20 0 "[ . 1 . 2]" 1 1214 2 40 ILE MD 2 45 LYS QB . . 5.340 3.329 2.792 4.829 . 0 0 "[ . 1 . 2]" 1 1215 2 41 ILE H 2 41 ILE QG . . 3.180 2.543 2.186 2.871 . 0 0 "[ . 1 . 2]" 1 1216 2 41 ILE HA 2 41 ILE QG . . 3.290 2.425 2.215 3.083 . 0 0 "[ . 1 . 2]" 1 1217 2 41 ILE HB 2 42 CYS QB . . 4.680 3.992 3.471 4.500 . 0 0 "[ . 1 . 2]" 1 1218 2 41 ILE QG 2 42 CYS H . . 4.500 4.131 3.936 4.321 . 0 0 "[ . 1 . 2]" 1 1219 2 42 CYS H 2 42 CYS QB . . 3.580 2.350 2.231 2.639 . 0 0 "[ . 1 . 2]" 1 1220 2 42 CYS QB 2 43 GLU H . . 3.920 3.243 2.497 3.764 . 0 0 "[ . 1 . 2]" 1 1221 2 42 CYS QB 2 43 GLU QG . . 4.610 3.003 2.625 3.488 . 0 0 "[ . 1 . 2]" 1 1222 2 43 GLU H 2 43 GLU QG . . 3.640 2.832 2.220 3.148 . 0 0 "[ . 1 . 2]" 1 1223 2 43 GLU HA 2 43 GLU QG . . 3.380 2.881 2.329 3.035 . 0 0 "[ . 1 . 2]" 1 1224 2 43 GLU HB2 2 45 LYS QE . . 4.750 3.984 2.527 4.780 0.030 6 0 "[ . 1 . 2]" 1 1225 2 43 GLU HB3 2 44 ASN QB . . 4.940 4.433 4.103 4.888 . 0 0 "[ . 1 . 2]" 1 1226 2 43 GLU HB3 2 45 LYS QG . . 4.890 2.817 2.260 4.446 . 0 0 "[ . 1 . 2]" 1 1227 2 43 GLU HB3 2 45 LYS QE . . 4.970 3.195 2.292 3.977 . 0 0 "[ . 1 . 2]" 1 1228 2 43 GLU QG 2 44 ASN H . . 4.770 4.281 3.790 4.436 . 0 0 "[ . 1 . 2]" 1 1229 2 43 GLU QG 2 45 LYS QE . . 4.550 3.784 2.300 4.595 0.045 11 0 "[ . 1 . 2]" 1 1230 2 44 ASN H 2 45 LYS QE . . 5.300 4.479 3.622 5.184 . 0 0 "[ . 1 . 2]" 1 1231 2 44 ASN QB 2 45 LYS H . . 4.480 3.579 3.304 3.959 . 0 0 "[ . 1 . 2]" 1 1232 2 45 LYS H 2 45 LYS QB . . 3.050 2.468 2.300 2.635 . 0 0 "[ . 1 . 2]" 1 1233 2 45 LYS H 2 45 LYS QE . . 5.220 3.933 3.240 4.454 . 0 0 "[ . 1 . 2]" 1 1234 2 45 LYS QB 2 46 THR H . . 3.350 2.293 2.171 2.500 . 0 0 "[ . 1 . 2]" 1 1235 2 45 LYS QB 2 46 THR MG . . 5.320 4.865 4.446 5.121 . 0 0 "[ . 1 . 2]" 1 1236 2 45 LYS QB 2 49 ASP H . . 5.040 4.340 4.141 4.717 . 0 0 "[ . 1 . 2]" 1 1237 2 45 LYS QB 2 49 ASP QB . . 4.320 2.347 2.151 2.688 . 0 0 "[ . 1 . 2]" 1 1238 2 45 LYS QB 2 50 VAL H . . 4.980 4.932 4.210 5.047 0.067 8 0 "[ . 1 . 2]" 1 1239 2 45 LYS QE 2 45 LYS QG . . 3.330 2.220 2.103 2.411 . 0 0 "[ . 1 . 2]" 1 1240 2 45 LYS QG 2 46 THR H . . 4.980 3.980 3.638 4.452 . 0 0 "[ . 1 . 2]" 1 1241 2 46 THR H 2 49 ASP QB . . 3.310 2.388 1.762 2.650 . 0 0 "[ . 1 . 2]" 1 1242 2 46 THR MG 2 82 ARG QB . . 3.390 2.154 1.952 2.498 . 0 0 "[ . 1 . 2]" 1 1243 2 46 THR MG 2 82 ARG QD . . 3.830 3.192 2.078 3.914 0.084 18 0 "[ . 1 . 2]" 1 1244 2 47 TYR H 2 82 ARG QB . . 4.760 4.712 3.922 4.920 0.160 6 0 "[ . 1 . 2]" 1 1245 2 47 TYR HD1 2 57 GLY QA . . 4.380 2.487 2.258 2.702 . 0 0 "[ . 1 . 2]" 1 1246 2 49 ASP H 2 49 ASP QB . . 3.080 2.353 2.246 2.478 . 0 0 "[ . 1 . 2]" 1 1247 2 49 ASP QB 2 50 VAL H . . 3.410 3.011 2.616 3.163 . 0 0 "[ . 1 . 2]" 1 1248 2 49 ASP QB 2 51 ASN H . . 5.280 4.622 4.377 4.736 . 0 0 "[ . 1 . 2]" 1 1249 2 50 VAL H 2 51 ASN QB . . 5.340 4.913 4.505 5.274 . 0 0 "[ . 1 . 2]" 1 1250 2 51 ASN H 2 51 ASN QB . . 3.430 3.168 2.835 3.359 . 0 0 "[ . 1 . 2]" 1 1251 2 52 ILE H 2 52 ILE QG . . 4.540 4.010 3.997 4.031 . 0 0 "[ . 1 . 2]" 1 1252 2 52 ILE QG 2 53 ASP H . . 3.040 2.146 2.059 2.256 . 0 0 "[ . 1 . 2]" 1 1253 2 52 ILE QG 2 57 GLY H . . 4.390 3.313 2.934 3.561 . 0 0 "[ . 1 . 2]" 1 1254 2 52 ILE MD 2 57 GLY QA . . 3.820 2.514 2.180 2.681 . 0 0 "[ . 1 . 2]" 1 1255 2 53 ASP H 2 53 ASP QB . . 3.000 2.393 2.157 2.587 . 0 0 "[ . 1 . 2]" 1 1256 2 53 ASP HA 2 54 ARG QD . . 4.320 3.775 3.171 4.400 0.080 17 0 "[ . 1 . 2]" 1 1257 2 53 ASP QB 2 54 ARG H . . 4.370 3.216 2.789 3.812 . 0 0 "[ . 1 . 2]" 1 1258 2 53 ASP QB 2 56 ARG QB . . 3.980 2.248 2.054 2.561 . 0 0 "[ . 1 . 2]" 1 1259 2 53 ASP QB 2 57 GLY H . . 4.970 3.829 3.289 4.321 . 0 0 "[ . 1 . 2]" 1 1260 2 54 ARG H 2 54 ARG QB . . 3.100 2.358 2.119 2.548 . 0 0 "[ . 1 . 2]" 1 1261 2 54 ARG H 2 54 ARG QD . . 3.630 2.729 1.869 3.185 . 0 0 "[ . 1 . 2]" 1 1262 2 54 ARG HA 2 54 ARG QD . . 3.600 2.355 2.002 3.850 0.250 17 0 "[ . 1 . 2]" 1 1263 2 54 ARG HA 2 85 LYS QG . . 5.160 4.597 4.051 5.009 . 0 0 "[ . 1 . 2]" 1 1264 2 54 ARG HA 2 85 LYS QD . . 5.130 4.982 4.379 5.186 0.056 20 0 "[ . 1 . 2]" 1 1265 2 54 ARG QB 2 55 SER H . . 3.660 2.890 2.753 3.105 . 0 0 "[ . 1 . 2]" 1 1266 2 54 ARG QD 2 55 SER H . . 4.790 4.561 4.189 4.811 0.021 17 0 "[ . 1 . 2]" 1 1267 2 55 SER H 2 55 SER QB . . 3.550 2.411 2.198 2.539 . 0 0 "[ . 1 . 2]" 1 1268 2 55 SER QB 2 56 ARG H . . 3.920 2.938 2.426 3.501 . 0 0 "[ . 1 . 2]" 1 1269 2 55 SER QB 2 56 ARG HA . . 4.450 4.225 3.873 4.468 0.018 15 0 "[ . 1 . 2]" 1 1270 2 56 ARG HA 2 59 TRP QB . . 4.480 2.346 2.118 2.672 . 0 0 "[ . 1 . 2]" 1 1271 2 56 ARG QB 2 57 GLY QA . . 5.060 3.691 3.515 3.807 . 0 0 "[ . 1 . 2]" 1 1272 2 57 GLY QA 2 61 VAL MG1 . . 4.330 3.636 3.511 3.770 . 0 0 "[ . 1 . 2]" 1 1273 2 58 ASP QB 2 59 TRP H . . 3.780 2.624 2.520 2.712 . 0 0 "[ . 1 . 2]" 1 1274 2 58 ASP QB 2 62 ILE MD . . 3.990 2.646 2.401 3.569 . 0 0 "[ . 1 . 2]" 1 1275 2 58 ASP QB 2 101 THR MG . . 4.620 3.576 3.278 4.399 . 0 0 "[ . 1 . 2]" 1 1276 2 59 TRP HA 2 63 LEU QB . . 5.540 5.185 5.075 5.313 . 0 0 "[ . 1 . 2]" 1 1277 2 59 TRP HA 2 63 LEU QD . . 5.060 4.461 4.343 4.619 . 0 0 "[ . 1 . 2]" 1 1278 2 59 TRP QB 2 60 HIS H . . 3.460 2.843 2.819 2.891 . 0 0 "[ . 1 . 2]" 1 1279 2 59 TRP HD1 2 63 LEU QD . . 5.030 3.382 3.280 3.455 . 0 0 "[ . 1 . 2]" 1 1280 2 59 TRP HE1 2 63 LEU QD . . 4.340 2.423 2.326 2.570 . 0 0 "[ . 1 . 2]" 1 1281 2 59 TRP HZ2 2 63 LEU QD . . 3.980 2.433 2.308 2.544 . 0 0 "[ . 1 . 2]" 1 1282 2 59 TRP HZ2 2 108 VAL QG . . 3.250 3.037 2.682 3.232 . 0 0 "[ . 1 . 2]" 1 1283 2 59 TRP HH2 2 63 LEU QD . . 4.500 3.038 2.897 3.182 . 0 0 "[ . 1 . 2]" 1 1284 2 59 TRP HH2 2 108 VAL QG . . 3.530 3.199 2.945 3.467 . 0 0 "[ . 1 . 2]" 1 1285 2 63 LEU H 2 63 LEU QB . . 3.150 2.221 2.184 2.249 . 0 0 "[ . 1 . 2]" 1 1286 2 63 LEU H 2 63 LEU QD . . 4.080 3.313 3.276 3.361 . 0 0 "[ . 1 . 2]" 1 1287 2 63 LEU H 2 64 TYR QB . . 5.340 4.451 4.408 4.518 . 0 0 "[ . 1 . 2]" 1 1288 2 63 LEU HA 2 63 LEU QD . . 4.130 1.958 1.943 1.980 . 0 0 "[ . 1 . 2]" 1 1289 2 63 LEU QB 2 64 TYR H . . 3.620 2.627 2.513 2.696 . 0 0 "[ . 1 . 2]" 1 1290 2 63 LEU QD 2 105 ALA HA . . 4.440 2.188 2.096 2.358 . 0 0 "[ . 1 . 2]" 1 1291 2 63 LEU QD 2 105 ALA MB . . 3.820 2.381 2.195 2.718 . 0 0 "[ . 1 . 2]" 1 1292 2 63 LEU QD 2 108 VAL HB . . 4.860 2.591 2.279 2.828 . 0 0 "[ . 1 . 2]" 1 1293 2 64 TYR H 2 64 TYR QB . . 3.120 2.206 2.163 2.253 . 0 0 "[ . 1 . 2]" 1 1294 2 64 TYR HA 2 67 LYS QB . . 4.060 2.289 2.140 2.439 . 0 0 "[ . 1 . 2]" 1 1295 2 64 TYR HA 2 67 LYS QD . . 4.350 3.210 2.346 4.420 0.070 16 0 "[ . 1 . 2]" 1 1296 2 64 TYR QB 2 65 LEU H . . 3.460 2.717 2.625 2.853 . 0 0 "[ . 1 . 2]" 1 1297 2 67 LYS H 2 67 LYS QB . . 3.320 2.227 2.203 2.295 . 0 0 "[ . 1 . 2]" 1 1298 2 67 LYS H 2 67 LYS QG . . 4.040 3.423 2.420 3.973 . 0 0 "[ . 1 . 2]" 1 1299 2 67 LYS HA 2 67 LYS QG . . 3.450 2.359 2.185 2.434 . 0 0 "[ . 1 . 2]" 1 1300 2 67 LYS QB 2 67 LYS QD . . 3.060 2.240 2.098 2.376 . 0 0 "[ . 1 . 2]" 1 1301 2 67 LYS QB 2 68 HIS H . . 4.150 3.270 3.188 3.368 . 0 0 "[ . 1 . 2]" 1 1302 2 67 LYS QG 2 109 VAL HA . . 5.260 3.785 2.636 4.662 . 0 0 "[ . 1 . 2]" 1 1303 2 68 HIS H 2 70 VAL QG . . 4.560 4.130 3.919 4.713 0.153 2 0 "[ . 1 . 2]" 1 1304 2 69 GLY H 2 70 VAL QG . . 3.890 3.756 3.615 3.978 0.088 2 0 "[ . 1 . 2]" 1 1305 2 70 VAL H 2 70 VAL QG . . 3.020 2.330 2.252 2.725 . 0 0 "[ . 1 . 2]" 1 1306 2 70 VAL QG 2 71 THR H . . 3.510 2.430 2.358 2.549 . 0 0 "[ . 1 . 2]" 1 1307 2 70 VAL QG 2 72 ASP H . . 4.300 4.266 4.102 4.405 0.105 5 0 "[ . 1 . 2]" 1 1308 2 74 ASP H 2 75 LYS QG . . 5.260 4.024 3.720 4.797 . 0 0 "[ . 1 . 2]" 1 1309 2 74 ASP HA 2 78 GLU QG . . 4.390 3.585 2.970 3.870 . 0 0 "[ . 1 . 2]" 1 1310 2 75 LYS H 2 75 LYS QB . . 3.170 2.414 2.176 2.704 . 0 0 "[ . 1 . 2]" 1 1311 2 75 LYS H 2 75 LYS QG . . 3.120 2.198 1.776 2.890 . 0 0 "[ . 1 . 2]" 1 1312 2 75 LYS HA 2 75 LYS QG . . 3.100 2.727 2.075 3.330 0.230 7 0 "[ . 1 . 2]" 1 1313 2 75 LYS QB 2 76 ILE HA . . 4.230 3.972 3.754 4.343 0.113 7 0 "[ . 1 . 2]" 1 1314 2 75 LYS QG 2 76 ILE H . . 4.960 3.817 2.218 4.429 . 0 0 "[ . 1 . 2]" 1 1315 2 76 ILE HA 2 79 LEU QB . . 4.370 3.094 2.634 3.850 . 0 0 "[ . 1 . 2]" 1 1316 2 77 LEU HA 2 87 LYS QE . . 5.040 3.941 2.791 5.025 . 0 0 "[ . 1 . 2]" 1 1317 2 77 LEU HG 2 87 LYS QE . . 4.170 3.723 2.978 4.217 0.047 8 0 "[ . 1 . 2]" 1 1318 2 77 LEU MD1 2 87 LYS QE . . 3.910 2.435 1.943 3.238 . 0 0 "[ . 1 . 2]" 1 1319 2 78 GLU H 2 78 GLU QB . . 2.950 2.335 2.263 2.405 . 0 0 "[ . 1 . 2]" 1 1320 2 78 GLU H 2 78 GLU QG . . 3.500 2.520 2.445 2.638 . 0 0 "[ . 1 . 2]" 1 1321 2 78 GLU HA 2 78 GLU QG . . 3.680 2.737 2.253 2.853 . 0 0 "[ . 1 . 2]" 1 1322 2 78 GLU HA 2 87 LYS QE . . 5.300 5.022 4.429 5.411 0.111 10 0 "[ . 1 . 2]" 1 1323 2 78 GLU QB 2 79 LEU H . . 4.370 3.379 3.210 3.518 . 0 0 "[ . 1 . 2]" 1 1324 2 79 LEU H 2 79 LEU QB . . 3.200 2.198 2.073 2.257 . 0 0 "[ . 1 . 2]" 1 1325 2 79 LEU QB 2 79 LEU MD1 . . 2.940 2.270 2.095 2.333 . 0 0 "[ . 1 . 2]" 1 1326 2 79 LEU QB 2 80 LEU H . . 4.410 3.075 2.717 3.406 . 0 0 "[ . 1 . 2]" 1 1327 2 80 LEU H 2 87 LYS QE . . 5.340 3.996 2.894 5.143 . 0 0 "[ . 1 . 2]" 1 1328 2 82 ARG H 2 82 ARG QB . . 2.990 2.287 2.180 2.468 . 0 0 "[ . 1 . 2]" 1 1329 2 82 ARG H 2 82 ARG QD . . 4.950 4.102 1.934 4.741 . 0 0 "[ . 1 . 2]" 1 1330 2 82 ARG H 2 83 ASP QB . . 5.040 4.703 4.387 5.185 0.145 5 0 "[ . 1 . 2]" 1 1331 2 82 ARG HA 2 82 ARG QD . . 4.270 3.781 1.987 4.215 . 0 0 "[ . 1 . 2]" 1 1332 2 82 ARG QB 2 83 ASP H . . 3.300 2.765 2.463 3.046 . 0 0 "[ . 1 . 2]" 1 1333 2 83 ASP H 2 83 ASP QB . . 3.610 2.631 2.429 3.268 . 0 0 "[ . 1 . 2]" 1 1334 2 84 SER QB 2 87 LYS QB . . 4.440 3.177 2.078 4.382 . 0 0 "[ . 1 . 2]" 1 1335 2 85 LYS H 2 85 LYS QG . . 3.540 2.171 1.980 2.437 . 0 0 "[ . 1 . 2]" 1 1336 2 85 LYS HA 2 85 LYS QG . . 3.620 2.847 2.298 3.092 . 0 0 "[ . 1 . 2]" 1 1337 2 85 LYS HA 2 85 LYS QD . . 4.990 2.517 2.006 4.101 . 0 0 "[ . 1 . 2]" 1 1338 2 85 LYS QE 2 85 LYS QG . . 3.330 2.544 2.271 2.836 . 0 0 "[ . 1 . 2]" 1 1339 2 86 ALA MB 2 98 PHE QB . . 4.270 2.596 2.229 3.173 . 0 0 "[ . 1 . 2]" 1 1340 2 87 LYS H 2 87 LYS QB . . 3.270 2.579 2.204 3.214 . 0 0 "[ . 1 . 2]" 1 1341 2 87 LYS H 2 87 LYS QE . . 5.340 4.817 4.078 5.443 0.103 1 0 "[ . 1 . 2]" 1 1342 2 87 LYS HA 2 87 LYS QE . . 5.040 3.664 1.677 4.993 . 0 0 "[ . 1 . 2]" 1 1343 2 87 LYS QB 2 87 LYS QD . . 3.320 2.356 2.107 2.853 . 0 0 "[ . 1 . 2]" 1 1344 2 87 LYS QB 2 87 LYS QE . . 4.370 2.562 1.890 3.655 . 0 0 "[ . 1 . 2]" 1 1345 2 87 LYS QB 2 88 GLU H . . 4.290 3.528 3.097 4.092 . 0 0 "[ . 1 . 2]" 1 1346 2 87 LYS QE 2 87 LYS QG . . 3.390 2.507 2.115 2.876 . 0 0 "[ . 1 . 2]" 1 1347 2 88 GLU H 2 88 GLU QB . . 3.110 2.315 2.151 2.431 . 0 0 "[ . 1 . 2]" 1 1348 2 88 GLU HA 2 89 ASN QB . . 5.070 4.792 4.256 5.248 0.178 11 0 "[ . 1 . 2]" 1 1349 2 88 GLU QB 2 89 ASN QB . . 5.160 4.034 3.296 4.952 . 0 0 "[ . 1 . 2]" 1 1350 2 89 ASN QB 2 94 THR MG . . 4.730 3.145 2.115 4.548 . 0 0 "[ . 1 . 2]" 1 1351 2 91 LYS H 2 91 LYS QG . . 4.400 2.679 2.062 4.409 0.009 5 0 "[ . 1 . 2]" 1 1352 2 95 GLN H 2 95 GLN QB . . 3.280 2.304 2.206 2.472 . 0 0 "[ . 1 . 2]" 1 1353 2 95 GLN H 2 95 GLN QG . . 4.420 3.255 2.091 4.048 . 0 0 "[ . 1 . 2]" 1 1354 2 95 GLN HA 2 95 GLN QG . . 3.440 2.702 2.373 3.029 . 0 0 "[ . 1 . 2]" 1 1355 2 95 GLN HA 2 98 PHE QB . . 4.280 2.399 2.122 2.736 . 0 0 "[ . 1 . 2]" 1 1356 2 95 GLN QB 2 96 LYS H . . 4.220 2.750 2.590 2.940 . 0 0 "[ . 1 . 2]" 1 1357 2 95 GLN QB 2 98 PHE H . . 5.340 4.836 4.646 5.010 . 0 0 "[ . 1 . 2]" 1 1358 2 96 LYS H 2 96 LYS QB . . 3.590 2.306 2.069 2.525 . 0 0 "[ . 1 . 2]" 1 1359 2 96 LYS HA 2 96 LYS QD . . 4.040 3.065 2.041 4.181 0.141 1 0 "[ . 1 . 2]" 1 1360 2 96 LYS QB 2 97 TYR H . . 3.940 2.621 2.460 2.825 . 0 0 "[ . 1 . 2]" 1 1361 2 96 LYS QB 2 97 TYR HA . . 4.390 4.084 3.864 4.374 . 0 0 "[ . 1 . 2]" 1 1362 2 98 PHE H 2 98 PHE QB . . 3.450 2.163 2.138 2.184 . 0 0 "[ . 1 . 2]" 1 1363 2 98 PHE QB 2 99 VAL H . . 3.750 2.851 2.760 2.956 . 0 0 "[ . 1 . 2]" 1 1364 2 98 PHE QB 2 99 VAL QG . . 5.340 3.545 3.098 4.236 . 0 0 "[ . 1 . 2]" 1 1365 2 98 PHE HZ 2 102 LEU QD . . 5.110 2.799 2.560 3.277 . 0 0 "[ . 1 . 2]" 1 1366 2 98 PHE HD2 2 102 LEU QD . . 4.830 4.107 3.633 4.512 . 0 0 "[ . 1 . 2]" 1 1367 2 102 LEU H 2 102 LEU QB . . 3.450 2.323 2.265 2.373 . 0 0 "[ . 1 . 2]" 1 1368 2 102 LEU H 2 102 LEU QD . . 4.100 3.148 3.104 3.216 . 0 0 "[ . 1 . 2]" 1 1369 2 102 LEU HA 2 102 LEU QD . . 3.690 2.004 1.963 2.037 . 0 0 "[ . 1 . 2]" 1 1370 2 102 LEU QB 2 103 SER H . . 3.750 2.731 2.621 2.864 . 0 0 "[ . 1 . 2]" 1 1371 2 102 LEU QB 2 103 SER HA . . 4.690 3.897 3.844 3.987 . 0 0 "[ . 1 . 2]" 1 1372 2 102 LEU QB 2 103 SER QB . . 5.340 3.880 3.757 4.054 . 0 0 "[ . 1 . 2]" 1 1373 2 102 LEU QD 2 103 SER H . . 4.790 4.184 4.127 4.248 . 0 0 "[ . 1 . 2]" 1 1374 2 105 ALA H 2 108 VAL QG . . 5.440 4.921 4.826 4.961 . 0 0 "[ . 1 . 2]" 1 1375 2 106 TRP H 2 108 VAL QG . . 5.440 5.125 5.087 5.186 . 0 0 "[ . 1 . 2]" 1 1376 2 106 TRP HZ3 2 113 LEU QD . . 4.290 2.714 2.426 3.506 . 0 0 "[ . 1 . 2]" 1 1377 2 106 TRP HH2 2 113 LEU QB . . 5.340 4.344 4.087 4.586 . 0 0 "[ . 1 . 2]" 1 1378 2 107 SER H 2 107 SER QB . . 2.860 2.242 2.216 2.380 . 0 0 "[ . 1 . 2]" 1 1379 2 107 SER H 2 108 VAL QG . . 4.870 4.038 3.995 4.094 . 0 0 "[ . 1 . 2]" 1 1380 2 107 SER QB 2 108 VAL H . . 3.590 2.681 2.605 2.759 . 0 0 "[ . 1 . 2]" 1 1381 2 107 SER QB 2 108 VAL HB . . 5.340 4.677 4.627 4.774 . 0 0 "[ . 1 . 2]" 1 1382 2 108 VAL H 2 108 VAL QG . . 3.070 2.232 2.152 2.289 . 0 0 "[ . 1 . 2]" 1 1383 2 108 VAL QG 2 112 TYR H . . 4.460 4.250 4.069 4.389 . 0 0 "[ . 1 . 2]" 1 1384 2 112 TYR HB2 2 113 LEU QD . . 5.280 4.595 4.170 5.377 0.097 5 0 "[ . 1 . 2]" 1 1385 2 113 LEU H 2 113 LEU QB . . 3.010 2.274 2.164 2.385 . 0 0 "[ . 1 . 2]" 1 1386 2 113 LEU H 2 113 LEU QD . . 3.910 3.331 3.243 3.747 . 0 0 "[ . 1 . 2]" 1 1387 2 113 LEU HA 2 113 LEU QD . . 3.210 2.004 1.970 2.103 . 0 0 "[ . 1 . 2]" 1 1388 2 113 LEU QB 2 114 GLU H . . 3.910 2.947 2.782 3.181 . 0 0 "[ . 1 . 2]" 1 1389 2 113 LEU QD 2 114 GLU H . . 5.150 4.275 3.980 4.398 . 0 0 "[ . 1 . 2]" 1 1390 2 114 GLU H 2 114 GLU QB . . 3.290 2.355 2.235 2.730 . 0 0 "[ . 1 . 2]" 1 1391 1 1 DC H1' 1 1 DC H6 . . 3.700 3.714 3.585 3.733 0.033 11 0 "[ . 1 . 2]" 1 1392 1 1 DC H3' 1 1 DC H6 . . 3.800 3.804 2.357 3.921 0.121 19 0 "[ . 1 . 2]" 1 1393 1 1 DC H4' 1 1 DC H6 . . 4.400 4.465 4.412 4.588 0.188 15 0 "[ . 1 . 2]" 1 1394 1 1 DC Q2' 1 1 DC H6 . . 3.000 2.086 1.923 2.188 . 0 0 "[ . 1 . 2]" 1 1395 1 1 DC H1' 1 1 DC H3' . . 4.000 3.879 3.830 4.039 0.039 12 0 "[ . 1 . 2]" 1 1396 1 1 DC H1' 1 1 DC Q5' . . 4.200 4.031 3.750 4.269 0.069 7 0 "[ . 1 . 2]" 1 1397 1 1 DC H1' 1 1 DC Q2' . . 3.000 2.252 2.186 2.280 . 0 0 "[ . 1 . 2]" 1 1398 1 1 DC H3' 1 2 DT H6 . . 3.100 2.746 2.560 3.022 . 0 0 "[ . 1 . 2]" 1 1399 1 1 DC Q2' 1 2 DT H6 . . 4.200 3.837 3.055 4.270 0.070 9 0 "[ . 1 . 2]" 1 1400 1 1 DC H6 1 2 DT M7 . . 4.700 3.712 2.226 4.720 0.020 3 0 "[ . 1 . 2]" 1 1401 1 1 DC H4' 1 2 DT H6 . . 5.300 5.147 4.737 5.517 0.217 19 0 "[ . 1 . 2]" 1 1402 1 1 DC H3' 1 2 DT M7 . . 3.900 2.928 2.326 3.472 . 0 0 "[ . 1 . 2]" 1 1403 1 1 DC Q2' 1 2 DT M7 . . 3.900 3.047 1.994 3.871 . 0 0 "[ . 1 . 2]" 1 1404 1 2 DT H1' 1 2 DT H6 . . 3.800 3.731 3.721 3.742 . 0 0 "[ . 1 . 2]" 1 1405 1 2 DT Q2' 1 2 DT H6 . . 3.500 2.099 1.920 2.307 . 0 0 "[ . 1 . 2]" 1 1406 1 2 DT H3' 1 2 DT H6 . . 4.000 4.031 3.935 4.091 0.091 2 0 "[ . 1 . 2]" 1 1407 1 2 DT Q5' 1 2 DT H6 . . 4.000 3.425 2.055 4.016 0.016 17 0 "[ . 1 . 2]" 1 1408 1 2 DT H1' 1 2 DT H3' . . 4.000 3.811 3.766 3.863 . 0 0 "[ . 1 . 2]" 1 1409 1 2 DT H1' 1 2 DT H4' . . 4.000 3.179 2.932 3.500 . 0 0 "[ . 1 . 2]" 1 1410 1 2 DT H1' 1 2 DT Q2' . . 3.500 2.278 2.257 2.289 . 0 0 "[ . 1 . 2]" 1 1411 1 2 DT Q2' 1 2 DT H3' . . 3.200 2.215 2.202 2.229 . 0 0 "[ . 1 . 2]" 1 1412 1 2 DT H1' 1 3 DG H8 . . 3.200 3.199 2.701 3.329 0.129 1 0 "[ . 1 . 2]" 1 1413 1 2 DT H3' 1 3 DG H8 . . 4.900 4.793 4.149 5.022 0.122 16 0 "[ . 1 . 2]" 1 1414 1 2 DT H4' 1 3 DG H8 . . 4.800 4.304 3.780 4.780 . 0 0 "[ . 1 . 2]" 1 1415 1 2 DT Q2' 1 3 DG H8 . . 4.200 3.595 2.699 4.105 . 0 0 "[ . 1 . 2]" 1 1416 1 2 DT H3' 1 4 DT M7 . . 5.100 4.728 3.704 5.103 0.003 3 0 "[ . 1 . 2]" 1 1417 1 2 DT H1' 1 4 DT M7 . . 5.400 5.114 4.782 5.388 . 0 0 "[ . 1 . 2]" 1 1418 1 2 DT Q2' 1 4 DT M7 . . 4.400 4.159 3.106 4.472 0.072 20 0 "[ . 1 . 2]" 1 1419 1 3 DG H1' 1 3 DG H8 . . 3.900 3.820 3.745 3.865 . 0 0 "[ . 1 . 2]" 1 1420 1 3 DG Q2' 1 3 DG H8 . . 3.300 3.204 2.961 3.372 0.072 10 0 "[ . 1 . 2]" 1 1421 1 3 DG H3' 1 3 DG H8 . . 4.700 4.749 4.649 4.844 0.144 10 0 "[ . 1 . 2]" 1 1422 1 3 DG Q5' 1 3 DG H8 . . 4.000 3.002 2.267 3.305 . 0 0 "[ . 1 . 2]" 1 1423 1 3 DG H1' 1 3 DG H3' . . 3.900 3.890 3.828 3.935 0.035 13 0 "[ . 1 . 2]" 1 1424 1 3 DG H3' 1 3 DG Q5' . . 3.000 2.464 2.231 2.550 . 0 0 "[ . 1 . 2]" 1 1425 1 3 DG Q2' 1 3 DG H3' . . 3.000 2.222 2.213 2.230 . 0 0 "[ . 1 . 2]" 1 1426 1 3 DG H1' 1 3 DG H4' . . 3.900 3.485 3.323 3.675 . 0 0 "[ . 1 . 2]" 1 1427 1 3 DG H1' 1 3 DG Q2' . . 3.000 2.244 2.220 2.275 . 0 0 "[ . 1 . 2]" 1 1428 1 3 DG H1' 1 4 DT H6 . . 4.200 4.213 4.008 4.425 0.225 12 0 "[ . 1 . 2]" 1 1429 1 3 DG Q2' 1 4 DT H6 . . 3.000 2.110 2.056 2.171 . 0 0 "[ . 1 . 2]" 1 1430 1 3 DG H3' 1 4 DT H6 . . 4.100 4.162 3.928 4.270 0.170 6 0 "[ . 1 . 2]" 1 1431 1 3 DG H8 1 4 DT M7 . . 4.000 2.999 2.635 3.388 . 0 0 "[ . 1 . 2]" 1 1432 1 3 DG H3' 1 4 DT M7 . . 5.000 4.066 3.810 4.382 . 0 0 "[ . 1 . 2]" 1 1433 1 3 DG H1' 1 4 DT Q5' . . 4.500 4.537 4.244 4.633 0.133 4 0 "[ . 1 . 2]" 1 1434 1 3 DG Q5' 1 4 DT M7 . . 5.600 4.124 3.075 4.361 . 0 0 "[ . 1 . 2]" 1 1435 1 3 DG Q2' 1 4 DT Q5' . . 4.300 2.444 1.994 2.747 . 0 0 "[ . 1 . 2]" 1 1436 1 4 DT H1' 1 4 DT H6 . . 3.700 3.645 3.614 3.673 . 0 0 "[ . 1 . 2]" 1 1437 1 4 DT H3' 1 4 DT H6 . . 4.600 4.660 4.577 4.715 0.115 4 0 "[ . 1 . 2]" 1 1438 1 4 DT Q5' 1 4 DT H6 . . 4.000 2.945 2.479 3.139 . 0 0 "[ . 1 . 2]" 1 1439 1 4 DT Q2' 1 4 DT H6 . . 3.100 2.958 2.858 3.054 . 0 0 "[ . 1 . 2]" 1 1440 1 4 DT H6 1 4 DT M7 . . 3.000 2.226 2.212 2.237 . 0 0 "[ . 1 . 2]" 1 1441 1 4 DT H1' 1 4 DT H4' . . 3.200 3.092 2.999 3.285 0.085 10 0 "[ . 1 . 2]" 1 1442 1 4 DT H1' 1 4 DT Q5' . . 4.500 4.036 3.938 4.076 . 0 0 "[ . 1 . 2]" 1 1443 1 4 DT H1' 1 4 DT H3' . . 4.000 3.764 3.730 3.792 . 0 0 "[ . 1 . 2]" 1 1444 1 4 DT H3' 1 4 DT Q5' . . 3.000 2.173 2.051 2.235 . 0 0 "[ . 1 . 2]" 1 1445 1 4 DT Q2' 1 4 DT M7 . . 5.500 4.261 4.184 4.343 . 0 0 "[ . 1 . 2]" 1 1446 1 4 DT H3' 1 5 DG H8 . . 5.000 3.872 3.566 4.090 . 0 0 "[ . 1 . 2]" 1 1447 1 4 DT Q5' 1 5 DG H8 . . 5.600 4.467 4.205 5.174 . 0 0 "[ . 1 . 2]" 1 1448 1 4 DT H4' 1 5 DG H8 . . 5.300 5.345 5.115 5.413 0.113 3 0 "[ . 1 . 2]" 1 1449 1 5 DG H1' 1 5 DG H8 . . 3.900 3.915 3.908 3.922 0.022 1 0 "[ . 1 . 2]" 1 1450 1 5 DG Q2' 1 5 DG H8 . . 3.500 2.435 2.337 2.550 . 0 0 "[ . 1 . 2]" 1 1451 1 5 DG H3' 1 5 DG H8 . . 4.400 4.385 4.314 4.455 0.055 14 0 "[ . 1 . 2]" 1 1452 1 5 DG Q5' 1 5 DG H8 . . 3.800 3.836 3.779 3.888 0.088 4 0 "[ . 1 . 2]" 1 1453 1 5 DG H1' 1 5 DG H3' . . 4.000 3.833 3.821 3.854 . 0 0 "[ . 1 . 2]" 1 1454 1 5 DG H1' 1 5 DG H4' . . 3.900 3.281 3.214 3.340 . 0 0 "[ . 1 . 2]" 1 1455 1 5 DG Q2' 1 5 DG Q5' . . 3.300 3.323 3.292 3.366 0.066 4 0 "[ . 1 . 2]" 1 1456 1 5 DG H3' 1 6 DC H6 . . 4.300 4.364 4.272 4.399 0.099 7 0 "[ . 1 . 2]" 1 1457 1 5 DG H1' 1 6 DC H6 . . 3.100 2.954 2.856 3.116 0.016 10 0 "[ . 1 . 2]" 1 1458 1 5 DG Q2' 1 6 DC H6 . . 3.400 2.454 2.209 2.630 . 0 0 "[ . 1 . 2]" 1 1459 1 5 DG H3' 1 6 DC H5 . . 4.700 4.803 4.761 4.848 0.148 14 0 "[ . 1 . 2]" 1 1460 1 5 DG H4' 1 6 DC H5 . . 5.900 5.928 5.826 5.999 0.099 7 0 "[ . 1 . 2]" 1 1461 1 6 DC H1' 1 6 DC H6 . . 3.800 3.708 3.686 3.723 . 0 0 "[ . 1 . 2]" 1 1462 1 6 DC Q2' 1 6 DC H6 . . 3.000 2.596 2.506 2.747 . 0 0 "[ . 1 . 2]" 1 1463 1 6 DC H3' 1 6 DC H6 . . 4.500 4.380 4.296 4.497 . 0 0 "[ . 1 . 2]" 1 1464 1 6 DC Q5' 1 6 DC H6 . . 3.600 3.458 3.333 3.517 . 0 0 "[ . 1 . 2]" 1 1465 1 6 DC H1' 1 6 DC H3' . . 3.900 3.781 3.762 3.798 . 0 0 "[ . 1 . 2]" 1 1466 1 6 DC Q2' 1 6 DC H5 . . 5.000 4.353 4.300 4.431 . 0 0 "[ . 1 . 2]" 1 1467 1 6 DC H5 1 6 DC H6 . . 3.000 2.422 2.414 2.430 . 0 0 "[ . 1 . 2]" 1 1468 1 6 DC Q2' 1 7 DT H6 . . 3.000 2.945 2.870 3.025 0.025 2 0 "[ . 1 . 2]" 1 1469 1 6 DC H1' 1 7 DT H6 . . 4.500 4.595 4.513 4.705 0.205 9 0 "[ . 1 . 2]" 1 1470 1 6 DC H3' 1 7 DT H6 . . 3.500 3.291 2.901 3.472 . 0 0 "[ . 1 . 2]" 1 1471 1 6 DC H4' 1 7 DT H6 . . 5.000 5.062 4.948 5.103 0.103 2 0 "[ . 1 . 2]" 1 1472 1 6 DC H3' 1 7 DT Q5' . . 5.000 3.878 3.703 3.929 . 0 0 "[ . 1 . 2]" 1 1473 1 6 DC H3' 1 7 DT H4' . . 5.500 5.531 5.168 5.621 0.121 11 0 "[ . 1 . 2]" 1 1474 1 6 DC H3' 1 7 DT Q2' . . 4.500 2.696 2.214 2.904 . 0 0 "[ . 1 . 2]" 1 1475 1 6 DC H3' 1 7 DT M7 . . 5.000 3.850 3.668 3.999 . 0 0 "[ . 1 . 2]" 1 1476 1 6 DC Q2' 1 7 DT M7 . . 4.000 2.241 2.126 2.460 . 0 0 "[ . 1 . 2]" 1 1477 1 7 DT H1' 1 7 DT H6 . . 3.700 3.741 3.730 3.746 0.046 14 0 "[ . 1 . 2]" 1 1478 1 7 DT Q2' 1 7 DT H6 . . 2.800 2.081 2.023 2.179 . 0 0 "[ . 1 . 2]" 1 1479 1 7 DT Q5' 1 7 DT H6 . . 4.000 3.508 3.450 3.597 . 0 0 "[ . 1 . 2]" 1 1480 1 7 DT H4' 1 7 DT H6 . . 4.000 4.611 4.561 4.667 0.667 9 20 [********+*-*********] 1 1481 1 7 DT H6 1 7 DT M7 . . 3.000 2.206 2.200 2.212 . 0 0 "[ . 1 . 2]" 1 1482 1 7 DT H1' 1 7 DT H4' . . 4.000 3.363 3.290 3.397 . 0 0 "[ . 1 . 2]" 1 1483 1 7 DT H1' 1 7 DT M7 . . 5.800 5.171 5.164 5.178 . 0 0 "[ . 1 . 2]" 1 1484 1 7 DT H1' 1 8 DC H6 . . 2.500 2.301 2.167 2.554 0.054 5 0 "[ . 1 . 2]" 1 1485 1 7 DT Q2' 1 8 DC H6 . . 3.500 3.333 3.035 3.698 0.198 18 0 "[ . 1 . 2]" 1 1486 1 7 DT H3' 1 8 DC H6 . . 4.500 4.537 4.236 4.619 0.119 10 0 "[ . 1 . 2]" 1 1487 1 7 DT H4' 1 8 DC H6 . . 4.100 3.740 2.887 4.153 0.053 15 0 "[ . 1 . 2]" 1 1488 1 7 DT H1' 1 8 DC Q5' . . 5.000 4.109 2.290 5.102 0.102 19 0 "[ . 1 . 2]" 1 1489 1 7 DT H1' 1 8 DC Q2' . . 4.000 2.241 1.977 2.650 . 0 0 "[ . 1 . 2]" 1 1490 1 7 DT H1' 1 8 DC H3' . . 3.900 3.992 3.924 4.054 0.154 12 0 "[ . 1 . 2]" 1 1491 1 8 DC H1' 1 8 DC H6 . . 3.700 3.726 3.688 3.739 0.039 4 0 "[ . 1 . 2]" 1 1492 1 8 DC Q5' 1 8 DC H6 . . 3.500 3.123 1.995 3.737 0.237 19 0 "[ . 1 . 2]" 1 1493 1 8 DC Q2' 1 8 DC H6 . . 3.300 2.207 1.891 2.501 . 0 0 "[ . 1 . 2]" 1 1494 1 8 DC H1' 1 8 DC H3' . . 3.800 3.879 3.842 4.039 0.239 9 0 "[ . 1 . 2]" 1 1495 1 8 DC H1' 1 8 DC H4' . . 3.700 3.354 3.225 3.809 0.109 9 0 "[ . 1 . 2]" 1 1496 1 8 DC H1' 1 8 DC Q2' . . 3.000 2.247 2.162 2.268 . 0 0 "[ . 1 . 2]" 1 1497 1 8 DC H3' 1 9 DA H8 . . 4.300 4.348 4.078 4.535 0.235 14 0 "[ . 1 . 2]" 1 1498 1 8 DC Q5' 1 9 DA H8 . . 4.300 4.363 4.062 4.551 0.251 15 0 "[ . 1 . 2]" 1 1499 1 8 DC Q2' 1 9 DA H8 . . 4.200 4.040 2.998 4.282 0.082 4 0 "[ . 1 . 2]" 1 1500 1 8 DC H1' 1 9 DA H8 . . 4.000 3.110 2.030 3.551 . 0 0 "[ . 1 . 2]" 1 1501 1 9 DA H1' 1 9 DA H8 . . 3.800 3.886 3.768 3.925 0.125 4 0 "[ . 1 . 2]" 1 1502 1 9 DA Q5' 1 9 DA H8 . . 4.000 3.284 2.000 4.057 0.057 15 0 "[ . 1 . 2]" 1 1503 1 9 DA Q2' 1 9 DA H8 . . 3.200 2.273 1.948 3.194 . 0 0 "[ . 1 . 2]" 1 1504 2 113 LEU HA 2 113 LEU MD2 . . 4.000 2.188 1.977 3.868 . 0 0 "[ . 1 . 2]" 1 1505 2 59 TRP HZ3 2 104 LYS QB . . 3.500 2.287 2.129 2.579 . 0 0 "[ . 1 . 2]" 1 1506 2 77 LEU MD2 2 98 PHE HZ . . 5.000 3.834 3.459 4.272 . 0 0 "[ . 1 . 2]" 1 1507 2 63 LEU QD 2 109 VAL QG . . 5.000 2.924 2.606 3.272 . 0 0 "[ . 1 . 2]" 1 1508 2 67 LYS QG 2 109 VAL QG . . 5.000 2.679 1.955 3.375 . 0 0 "[ . 1 . 2]" 1 1509 2 25 LYS QG 2 79 LEU MD1 . . 5.800 4.404 3.401 5.077 . 0 0 "[ . 1 . 2]" 1 1510 2 21 VAL QG 2 75 LYS QG . . 4.700 3.113 2.081 3.662 . 0 0 "[ . 1 . 2]" 1 1511 2 25 LYS QE 2 79 LEU MD1 . . 5.600 4.783 3.610 5.639 0.039 9 0 "[ . 1 . 2]" 1 1512 2 62 ILE QG 2 76 ILE MG . . 4.500 2.332 2.144 2.854 . 0 0 "[ . 1 . 2]" 1 1513 2 37 ILE MD 2 61 VAL QG . . 4.000 2.160 2.026 2.325 . 0 0 "[ . 1 . 2]" 1 1514 2 25 LYS QB 2 26 GLU QB . . 5.400 4.669 3.967 5.347 . 0 0 "[ . 1 . 2]" 1 1515 2 16 ASP QB 2 18 GLY QA . . 5.000 4.245 4.037 4.485 . 0 0 "[ . 1 . 2]" 1 1516 2 16 ASP HA 2 18 GLY QA . . 5.500 5.298 5.186 5.388 . 0 0 "[ . 1 . 2]" 1 1517 2 17 SER HA 2 18 GLY QA . . 4.500 4.244 4.180 4.282 . 0 0 "[ . 1 . 2]" 1 1518 2 112 TYR QB 2 115 ALA MB . . 5.400 5.055 4.732 5.455 0.055 10 0 "[ . 1 . 2]" 1 1519 2 113 LEU HA 2 115 ALA MB . . 5.500 4.265 3.845 4.654 . 0 0 "[ . 1 . 2]" 1 1520 2 104 LYS HA 2 107 SER HA . . 5.200 5.212 5.123 5.272 0.072 17 0 "[ . 1 . 2]" 1 1521 2 108 VAL HA 2 111 LYS QB . . 4.300 2.792 2.496 4.098 . 0 0 "[ . 1 . 2]" 1 1522 2 8 LEU QB 2 11 GLU QB . . 5.300 3.930 3.482 4.423 . 0 0 "[ . 1 . 2]" 1 1523 2 14 LYS QG 2 15 ARG QB . . 6.000 5.689 4.775 6.029 0.029 5 0 "[ . 1 . 2]" 1 1524 2 15 ARG QB 2 71 THR MG . . 5.800 2.590 2.231 3.042 . 0 0 "[ . 1 . 2]" 1 1525 2 30 THR HA 2 31 LYS QB . . 5.500 5.411 5.333 5.451 . 0 0 "[ . 1 . 2]" 1 1526 2 71 THR MG 2 106 TRP HE3 . . 5.100 2.161 2.049 2.269 . 0 0 "[ . 1 . 2]" 1 1527 2 47 TYR QB 2 83 ASP QB . . 5.600 3.278 2.311 5.050 . 0 0 "[ . 1 . 2]" 1 1528 1 5 DG Q5' 2 56 ARG QB . . 5.900 4.713 3.918 5.645 . 0 0 "[ . 1 . 2]" 1 1529 1 5 DG H4' 2 56 ARG QG . . 5.300 3.708 3.048 4.669 . 0 0 "[ . 1 . 2]" 1 1530 1 5 DG Q5' 2 56 ARG QD . . 4.900 4.089 2.254 4.952 0.052 10 0 "[ . 1 . 2]" 1 1531 1 6 DC Q5' 2 56 ARG QD . . 5.500 4.566 3.630 5.522 0.022 12 0 "[ . 1 . 2]" 1 1532 1 6 DC Q5' 2 56 ARG QG . . 4.800 3.741 2.992 4.522 . 0 0 "[ . 1 . 2]" 1 1533 1 5 DG H3' 2 56 ARG QD . . 5.200 4.223 2.391 4.799 . 0 0 "[ . 1 . 2]" 1 1534 1 6 DC H1' 2 59 TRP HZ2 . . 4.100 3.751 3.465 3.908 . 0 0 "[ . 1 . 2]" 1 1535 1 5 DG H1' 2 59 TRP HZ2 . . 3.400 2.955 2.691 3.212 . 0 0 "[ . 1 . 2]" 1 1536 1 5 DG Q5' 2 59 TRP HD1 . . 5.000 4.409 4.331 4.477 . 0 0 "[ . 1 . 2]" 1 1537 1 6 DC Q5' 2 59 TRP HD1 . . 3.100 2.039 1.982 2.142 . 0 0 "[ . 1 . 2]" 1 1538 1 5 DG H3' 2 59 TRP HD1 . . 4.600 4.668 4.619 4.702 0.102 12 0 "[ . 1 . 2]" 1 1539 1 6 DC Q5' 2 59 TRP HE1 . . 3.300 2.224 2.090 2.357 . 0 0 "[ . 1 . 2]" 1 1540 1 5 DG Q5' 2 59 TRP HE1 . . 5.600 5.208 4.938 5.415 . 0 0 "[ . 1 . 2]" 1 1541 1 5 DG H1' 2 59 TRP HE1 . . 3.000 2.988 2.763 3.102 0.102 12 0 "[ . 1 . 2]" 1 1542 1 6 DC H1' 2 59 TRP HE1 . . 3.500 3.621 3.555 3.666 0.166 12 0 "[ . 1 . 2]" 1 1543 1 5 DG Q2' 2 59 TRP HE1 . . 4.500 4.138 4.047 4.207 . 0 0 "[ . 1 . 2]" 1 1544 1 6 DC Q5' 2 60 HIS HD2 . . 5.400 4.734 4.421 4.952 . 0 0 "[ . 1 . 2]" 1 1545 1 6 DC H4' 2 60 HIS HE1 . . 3.600 3.576 3.379 3.645 0.045 18 0 "[ . 1 . 2]" 1 1546 1 6 DC H3' 2 60 HIS HE1 . . 3.300 3.297 3.150 3.364 0.064 19 0 "[ . 1 . 2]" 1 1547 1 6 DC Q2' 2 60 HIS HE1 . . 5.100 4.962 4.840 5.026 . 0 0 "[ . 1 . 2]" 1 1548 1 7 DT M7 2 63 LEU QD . . 5.000 3.899 3.512 4.290 . 0 0 "[ . 1 . 2]" 1 1549 1 6 DC Q2' 2 63 LEU QD . . 5.500 4.001 3.823 4.228 . 0 0 "[ . 1 . 2]" 1 1550 1 6 DC H4' 2 63 LEU QD . . 4.900 2.238 2.079 2.536 . 0 0 "[ . 1 . 2]" 1 1551 1 6 DC H3' 2 63 LEU QD . . 5.700 4.267 4.022 4.589 . 0 0 "[ . 1 . 2]" 1 1552 1 6 DC H1' 2 63 LEU QD . . 4.400 2.832 2.620 3.146 . 0 0 "[ . 1 . 2]" 1 1553 1 5 DG H1' 2 63 LEU QD . . 5.800 4.287 4.182 4.421 . 0 0 "[ . 1 . 2]" 1 1554 1 7 DT M7 2 67 LYS QE . . 5.000 4.878 3.867 5.042 0.042 2 0 "[ . 1 . 2]" 1 1555 1 7 DT M7 2 67 LYS QD . . 5.900 5.444 4.439 6.162 0.262 5 0 "[ . 1 . 2]" 1 1556 1 4 DT M7 2 97 TYR QD . . 5.300 3.800 3.595 3.885 . 0 0 "[ . 1 . 2]" 1 1557 1 4 DT M7 2 97 TYR QB . . 4.000 2.094 1.987 2.186 . 0 0 "[ . 1 . 2]" 1 1558 1 4 DT Q2' 2 97 TYR HD2 . . 3.000 2.198 2.118 2.311 . 0 0 "[ . 1 . 2]" 1 1559 1 4 DT H3' 2 97 TYR HD2 . . 4.300 4.386 4.314 4.497 0.197 9 0 "[ . 1 . 2]" 1 1560 1 4 DT M7 2 100 ILE MD . . 5.500 3.751 3.423 4.019 . 0 0 "[ . 1 . 2]" 1 1561 1 3 DG Q2' 2 100 ILE MD . . 5.400 3.942 3.678 4.301 . 0 0 "[ . 1 . 2]" 1 1562 1 4 DT Q2' 2 100 ILE MD . . 4.800 3.563 3.328 3.745 . 0 0 "[ . 1 . 2]" 1 1563 1 4 DT Q5' 2 100 ILE MD . . 4.900 3.087 2.791 3.269 . 0 0 "[ . 1 . 2]" 1 1564 1 4 DT H3' 2 100 ILE MD . . 4.200 4.229 4.155 4.272 0.072 10 0 "[ . 1 . 2]" 1 1565 1 3 DG H3' 2 100 ILE MD . . 4.100 3.890 3.413 4.126 0.026 15 0 "[ . 1 . 2]" 1 1566 1 4 DT Q2' 2 100 ILE MG . . 4.400 3.265 3.084 3.423 . 0 0 "[ . 1 . 2]" 1 1567 1 4 DT Q2' 2 100 ILE QG . . 5.400 5.320 5.106 5.443 0.043 6 0 "[ . 1 . 2]" 1 1568 1 4 DT Q5' 2 100 ILE QG . . 5.000 4.997 4.683 5.118 0.118 13 0 "[ . 1 . 2]" 1 1569 1 4 DT Q5' 2 100 ILE MG . . 4.600 3.487 2.997 3.723 . 0 0 "[ . 1 . 2]" 1 1570 1 4 DT H4' 2 100 ILE MG . . 5.600 5.621 5.407 5.693 0.093 17 0 "[ . 1 . 2]" 1 1571 1 4 DT H6 2 100 ILE MD . . 4.700 4.051 3.801 4.366 . 0 0 "[ . 1 . 2]" 1 1572 1 4 DT M7 2 94 THR MG . . 5.400 4.674 4.269 5.438 0.038 7 0 "[ . 1 . 2]" 1 1573 1 2 DT H4' 2 96 LYS QE . . 5.400 4.890 3.912 5.501 0.101 7 0 "[ . 1 . 2]" 1 1574 1 2 DT H3' 2 96 LYS QE . . 4.900 3.833 2.321 4.916 0.016 5 0 "[ . 1 . 2]" 1 1575 1 2 DT H3' 2 96 LYS QD . . 5.700 3.625 2.373 5.462 . 0 0 "[ . 1 . 2]" 1 1576 1 5 DG H8 2 104 LYS QE . . 5.200 5.280 5.224 5.328 0.128 4 0 "[ . 1 . 2]" 1 1577 1 5 DG H8 2 104 LYS QG . . 5.200 4.738 4.291 5.018 . 0 0 "[ . 1 . 2]" 1 1578 1 6 DC H1' 2 108 VAL QG . . 5.000 3.352 2.809 3.614 . 0 0 "[ . 1 . 2]" 1 1579 1 7 DT M7 2 108 VAL MG1 . . 4.500 3.550 2.725 4.090 . 0 0 "[ . 1 . 2]" 1 1580 1 7 DT M7 2 108 VAL MG2 . . 5.900 4.513 3.845 5.031 . 0 0 "[ . 1 . 2]" 1 1581 1 7 DT M7 2 112 TYR HE2 . . 3.600 3.366 2.522 3.643 0.043 9 0 "[ . 1 . 2]" 1 1582 1 7 DT M7 2 112 TYR HE1 . . 5.700 5.527 4.805 5.742 0.042 13 0 "[ . 1 . 2]" 1 1583 1 5 DG H1 2 108 VAL QG . . 4.500 4.166 4.036 4.293 . 0 0 "[ . 1 . 2]" 1 1584 1 4 DT H3 2 85 LYS QG . . 3.100 2.558 2.022 3.343 0.243 12 0 "[ . 1 . 2]" 1 1585 1 4 DT H3 2 85 LYS QE . . 3.600 3.007 1.810 3.766 0.166 8 0 "[ . 1 . 2]" 1 1586 1 4 DT H3 2 85 LYS QD . . 3.900 3.415 1.608 4.077 0.177 1 0 "[ . 1 . 2]" 1 1587 1 4 DT H3 2 85 LYS QB . . 3.300 1.907 1.692 2.043 . 0 0 "[ . 1 . 2]" 1 1588 1 4 DT H3 2 97 TYR QB . . 4.600 3.917 3.621 4.342 . 0 0 "[ . 1 . 2]" 1 1589 1 4 DT H3 2 85 LYS HA . . 4.500 4.393 4.068 4.691 0.191 6 0 "[ . 1 . 2]" 1 1590 1 4 DT H3 2 55 SER QB . . 4.400 4.460 3.975 5.220 0.820 6 2 "[- .+ 1 . 2]" 1 1591 1 4 DT H3 2 97 TYR QE . . 4.200 3.998 3.620 4.214 0.014 11 0 "[ . 1 . 2]" 1 1592 1 4 DT H3 2 97 TYR QD . . 4.200 3.838 3.569 4.078 . 0 0 "[ . 1 . 2]" 1 1593 1 5 DG H1 2 104 LYS QZ . . 4.600 3.245 3.141 3.328 . 0 0 "[ . 1 . 2]" 1 1594 1 4 DT H3 2 86 ALA HA . . 5.800 5.899 5.774 6.030 0.230 3 0 "[ . 1 . 2]" 1 1595 1 4 DT H3 2 85 LYS H . . 4.900 4.824 4.465 5.135 0.235 11 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 106 _Distance_constraint_stats_list.Viol_count 2120 _Distance_constraint_stats_list.Viol_total 26570.439 _Distance_constraint_stats_list.Viol_max 1.972 _Distance_constraint_stats_list.Viol_rms 0.2501 _Distance_constraint_stats_list.Viol_average_all_restraints 0.6267 _Distance_constraint_stats_list.Viol_average_violations_only 0.6267 _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 2 1 THR 29.910 1.016 17 20 [*-**************+***] 2 2 VAL 25.666 0.864 20 20 [*****************-*+] 2 3 VAL 31.479 1.009 9 20 [**-*****+***********] 2 4 GLU 26.809 0.979 16 20 [****-**********+****] 2 5 PHE 51.544 1.016 17 20 [***********-****+***] 2 6 GLU 56.983 1.023 5 20 [****+************-**] 2 7 GLU 59.839 1.009 9 20 [******-*+***********] 2 8 LEU 41.130 0.979 16 20 [***********-***+****] 2 9 ARG 51.126 0.939 12 20 [***********+********] 2 10 LYS 65.342 1.024 11 20 [******-***+*********] 2 11 GLU 59.515 0.925 1 20 [+*****-*************] 2 12 LEU 14.321 0.660 14 11 "[ ** .* ****-*+. * 2]" 2 13 VAL 29.493 0.939 12 20 [***********+*-******] 2 14 LYS 34.024 1.024 11 20 [-*********+*********] 2 15 ARG 31.155 0.925 1 20 [+**-****************] 2 21 VAL 18.860 0.985 4 19 [-**+***************2] 2 23 LYS 26.071 1.004 19 20 [-*****************+*] 2 24 ILE 26.041 0.845 5 20 [****+***-***********] 2 25 LYS 38.949 0.985 4 20 [***+****************] 2 26 GLU 38.914 1.972 14 20 [-************+******] 2 27 GLU 26.071 1.004 19 20 [-*****************+*] 2 28 ILE 26.041 0.845 5 20 [****+***-***********] 2 29 CYS 20.089 0.910 18 18 "[***-.********** *+**]" 2 30 THR 38.914 1.972 14 20 [-************+******] 2 35 LYS 22.712 0.962 11 19 "[****-*****+ ********]" 2 36 LEU 33.856 1.063 7 20 [******+********-****] 2 37 ILE 14.342 0.691 6 11 "[* * *+***1 ** . * -2]" 2 38 LYS 26.748 1.012 17 20 [*-**************+***] 2 39 GLU 22.712 0.962 11 19 "[****-*****+ ********]" 2 40 ILE 33.856 1.063 7 20 [******+********-****] 2 41 ILE 14.342 0.691 6 11 "[* * *+***1 ** . * -2]" 2 42 CYS 26.748 1.012 17 20 [*-**************+***] 2 54 ARG 25.530 1.024 16 19 "[-****** *******+****]" 2 55 SER 34.504 1.067 1 20 [+**************-****] 2 56 ARG 12.323 0.594 8 6 "[ .- + * **. *2]" 2 57 GLY 31.480 1.051 20 20 [****************-**+] 2 58 ASP 42.557 1.024 16 20 [-**************+****] 2 59 TRP 57.881 1.067 1 20 [+******-************] 2 60 HIS 44.329 1.069 7 20 [*****-+*************] 2 61 VAL 45.854 1.051 20 20 [****************-**+] 2 62 ILE 41.957 0.959 11 20 [***-******+*********] 2 63 LEU 38.223 0.836 14 20 [*******-*****+******] 2 64 TYR 66.997 1.069 7 20 [******+-************] 2 65 LEU 14.374 0.771 9 15 "[*-* ** +******* * *]" 2 66 MET 24.930 0.959 11 20 [***-******+*********] 2 67 LYS 14.846 0.615 4 7 "[* +. * 1* * - * 2]" 2 68 HIS 34.991 1.037 11 20 [**********+***-*****] 2 73 PRO 33.741 1.123 20 20 [*****-*************+] 2 74 ASP 16.974 0.867 6 12 "[ ***.+ *** - .****2]" 2 75 LYS 28.179 0.963 7 20 [*-****+*************] 2 77 LEU 33.741 1.123 20 20 [*****-*************+] 2 78 GLU 16.974 0.867 6 12 "[ ***.+ *** - .****2]" 2 79 LEU 28.179 0.963 7 20 [*-****+*************] 2 92 TRP 23.684 1.026 7 19 "[* ****+*-***********]" 2 93 ASN 27.161 1.057 19 20 [******************+-] 2 94 THR 21.582 0.993 9 17 "[** ** **+- *********]" 2 95 GLN 29.437 1.002 1 20 [+*********-*********] 2 96 LYS 54.334 1.026 7 20 [******+*-***********] 2 97 TYR 47.894 1.057 19 20 [******************+-] 2 98 PHE 57.068 1.095 1 20 [+********-**********] 2 99 VAL 45.791 1.002 1 20 [+-******************] 2 100 ILE 45.032 0.986 4 20 [***+**********-*****] 2 101 THR 36.781 0.771 6 20 [*****+**-***********] 2 102 LEU 64.827 1.095 1 20 [+****************-**] 2 103 SER 46.542 0.905 8 20 [*-*****+************] 2 104 LYS 45.866 0.997 8 20 [*******+******-*****] 2 105 ALA 34.226 0.799 15 20 [*******-******+*****] 2 106 TRP 39.139 0.975 7 20 [******+**********-**] 2 107 SER 60.159 0.948 14 20 [**-**********+******] 2 108 VAL 56.952 0.997 8 20 [*******+*******-****] 2 109 VAL 36.086 0.799 15 20 [*******-******+*****] 2 110 LYS 34.384 0.947 2 18 "[ +***-********** ***]" 2 111 LYS 29.971 0.948 14 20 [**-**********+******] 2 112 TYR 25.467 0.936 9 20 [********+******-****] 2 113 LEU 17.907 0.608 1 18 "[+***.****-* ********]" 2 114 GLU 24.586 0.947 2 18 "[ +***-********** ***]" 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 2 6 GLU O 2 10 LYS N . . 2.400 3.334 3.105 3.423 1.023 5 20 [****+**************-] 2 2 2 6 GLU O 2 10 LYS H . . 1.800 2.432 2.168 2.504 0.704 2 19 [*+****-************2] 2 3 2 5 PHE O 2 9 ARG N . . 2.400 3.053 2.902 3.234 0.834 10 20 [*********+*-********] 2 4 2 5 PHE O 2 9 ARG H . . 1.800 2.229 2.025 2.429 0.629 10 7 "[ * *.* *-+ * 2]" 2 5 2 4 GLU O 2 8 LEU N . . 2.400 3.222 3.092 3.379 0.979 16 20 [**************-+****] 2 6 2 4 GLU O 2 8 LEU H . . 1.800 2.319 2.161 2.441 0.641 16 12 "[ * *- * ** **.+** *]" 2 7 2 3 VAL O 2 7 GLU N . . 2.400 3.312 3.145 3.409 1.009 9 20 [**-*****+***********] 2 8 2 3 VAL O 2 7 GLU H . . 1.800 2.462 2.364 2.529 0.729 9 20 [**-*****+***********] 2 9 2 2 VAL O 2 6 GLU N . . 2.400 3.172 3.075 3.264 0.864 20 20 [******************-+] 2 10 2 2 VAL O 2 6 GLU H . . 1.800 2.312 2.164 2.423 0.623 9 13 "[* **** +1 ***.**- *]" 2 11 2 1 THR O 2 5 PHE N . . 2.400 3.285 3.083 3.416 1.016 17 20 [***********-****+***] 2 12 2 1 THR O 2 5 PHE H . . 1.800 2.410 2.237 2.510 0.710 17 17 "[ -********* ****+**2]" 2 13 2 11 GLU O 2 15 ARG N . . 2.400 3.262 3.031 3.325 0.925 1 20 [+*****-*************] 2 14 2 11 GLU O 2 15 ARG H . . 1.800 2.496 2.201 2.598 0.798 11 19 "[***-** ***+*********]" 2 15 2 10 LYS O 2 14 LYS N . . 2.400 3.373 3.226 3.424 1.024 11 20 [-*********+*********] 2 16 2 10 LYS O 2 14 LYS H . . 1.800 2.529 2.434 2.564 0.764 5 20 [-***+***************] 2 17 2 9 ARG O 2 13 VAL N . . 2.400 3.269 3.144 3.339 0.939 12 20 [-**********+********] 2 18 2 9 ARG O 2 13 VAL H . . 1.800 2.405 2.221 2.490 0.690 5 18 "[ ***+***** **-******]" 2 19 2 8 LEU O 2 12 LEU N . . 2.400 2.932 2.858 3.060 0.660 14 11 "[ ** .* ****-*+. * 2]" 2 20 2 8 LEU O 2 12 LEU H . . 1.800 1.984 1.884 2.160 0.360 14 0 "[ . 1 . 2]" 2 21 2 7 GLU O 2 11 GLU N . . 2.400 3.208 3.024 3.271 0.871 17 20 [**-*************+***] 2 22 2 7 GLU O 2 11 GLU H . . 1.800 2.410 2.184 2.478 0.678 18 18 "[** ***-*** ******+**]" 2 23 2 26 GLU O 2 30 THR N . . 2.400 3.503 3.164 4.372 1.972 14 20 [******-******+******] 2 24 2 26 GLU O 2 30 THR H . . 1.800 2.642 2.247 3.556 1.756 14 19 "[-***** ******+******]" 2 25 2 25 LYS O 2 29 CYS N . . 2.400 3.052 2.824 3.310 0.910 18 18 "[***-.********** *+**]" 2 26 2 25 LYS O 2 29 CYS H . . 1.800 2.152 1.896 2.453 0.653 15 5 "[ . * -1 *+ * 2]" 2 27 2 24 ILE O 2 28 ILE N . . 2.400 3.122 2.961 3.245 0.845 5 20 [****+*****-*********] 2 28 2 24 ILE O 2 28 ILE H . . 1.800 2.381 2.231 2.478 0.678 5 17 "[****+***-* * **** **]" 2 29 2 23 LYS O 2 27 GLU N . . 2.400 3.190 2.972 3.404 1.004 19 20 [*******-**********+*] 2 30 2 23 LYS O 2 27 GLU H . . 1.800 2.314 2.076 2.540 0.740 19 12 "[-* * 1* ******+*]" 2 31 2 21 VAL O 2 25 LYS N . . 2.400 3.036 2.792 3.385 0.985 4 19 [-**+***************2] 2 32 2 21 VAL O 2 25 LYS H . . 1.800 2.107 1.872 2.447 0.647 4 3 "[ +* 1 - 2]" 2 33 2 38 LYS O 2 42 CYS N . . 2.400 3.158 2.905 3.412 1.012 17 20 [*-**************+***] 2 34 2 38 LYS O 2 42 CYS H . . 1.800 2.379 2.079 2.528 0.728 16 16 "[* **-* * ** ***+****]" 2 35 2 37 ILE O 2 41 ILE N . . 2.400 2.926 2.772 3.091 0.691 6 11 "[* * *+***1 ** . * -2]" 2 36 2 37 ILE O 2 41 ILE H . . 1.800 1.991 1.855 2.169 0.369 6 0 "[ . 1 . 2]" 2 37 2 36 LEU O 2 40 ILE N . . 2.400 3.366 3.201 3.463 1.063 7 20 [******+********-****] 2 38 2 36 LEU O 2 40 ILE H . . 1.800 2.527 2.435 2.608 0.808 12 20 [***********+***-****] 2 39 2 35 LYS O 2 39 GLU N . . 2.400 3.129 2.885 3.362 0.962 11 19 "[**********+ ****-***]" 2 40 2 35 LYS O 2 39 GLU H . . 1.800 2.207 1.905 2.454 0.654 11 8 "[ - * *+ **. * *]" 2 41 2 64 TYR O 2 68 HIS N . . 2.400 3.257 3.070 3.397 0.997 11 20 [**********+***-*****] 2 42 2 64 TYR O 2 68 HIS H . . 1.800 2.692 2.494 2.837 1.037 11 20 [**********+***-*****] 2 43 2 63 LEU O 2 67 LYS N . . 2.400 2.888 2.772 3.015 0.615 4 7 "[* +. * 1* * - * 2]" 2 44 2 63 LEU O 2 67 LYS H . . 1.800 2.054 1.921 2.202 0.402 4 0 "[ . 1 . 2]" 2 45 2 62 ILE O 2 66 MET N . . 2.400 3.180 3.045 3.359 0.959 11 20 [**********+*******-*] 2 46 2 62 ILE O 2 66 MET H . . 1.800 2.266 2.162 2.441 0.641 11 5 "[ -. * 1+ * * 2]" 2 47 2 61 VAL O 2 65 LEU N . . 2.400 2.941 2.882 3.171 0.771 9 15 "[*-* ** +******* * *]" 2 48 2 61 VAL O 2 65 LEU H . . 1.800 1.978 1.906 2.228 0.428 9 0 "[ . 1 . 2]" 2 49 2 60 HIS O 2 64 TYR N . . 2.400 3.364 3.180 3.469 1.069 7 20 [******+*******-*****] 2 50 2 60 HIS O 2 64 TYR H . . 1.800 2.436 2.229 2.544 0.744 7 19 [******+-******.*****] 2 51 2 59 TRP O 2 63 LEU N . . 2.400 3.146 3.075 3.236 0.836 14 20 [*************+***-**] 2 52 2 59 TRP O 2 63 LEU H . . 1.800 2.223 2.142 2.321 0.521 14 2 "[ . - 1 +. 2]" 2 53 2 58 ASP O 2 62 ILE N . . 2.400 2.990 2.833 3.134 0.734 15 17 "[***** *******+***-2]" 2 54 2 58 ASP O 2 62 ILE H . . 1.800 2.061 1.889 2.208 0.408 15 0 "[ . 1 . 2]" 2 55 2 57 GLY O 2 61 VAL N . . 2.400 3.371 3.246 3.451 1.051 20 20 [*************-*****+] 2 56 2 57 GLY O 2 61 VAL H . . 1.800 2.403 2.275 2.483 0.683 19 18 "[************ **-*+*]" 2 57 2 56 ARG O 2 60 HIS N . . 2.400 2.868 2.746 2.994 0.594 8 6 "[ .- + * **. *2]" 2 58 2 56 ARG O 2 60 HIS H . . 1.800 1.948 1.808 2.103 0.303 14 0 "[ . 1 . 2]" 2 59 2 55 SER O 2 59 TRP N . . 2.400 3.410 3.325 3.467 1.067 1 20 [+**************-****] 2 60 2 55 SER O 2 59 TRP H . . 1.800 2.515 2.447 2.559 0.759 5 20 [****+**********-****] 2 61 2 54 ARG O 2 58 ASP N . . 2.400 3.229 2.860 3.424 1.024 16 19 "[******* ******-+****]" 2 62 2 54 ARG O 2 58 ASP H . . 1.800 2.248 1.881 2.442 0.642 18 8 "[- *. * * .* +**]" 2 63 2 75 LYS O 2 79 LEU N . . 2.400 3.096 2.951 3.363 0.963 7 20 [****-*+*************] 2 64 2 75 LYS O 2 79 LEU H . . 1.800 2.513 2.337 2.585 0.785 14 20 [*-***********+******] 2 65 2 74 ASP O 2 78 GLU N . . 2.400 2.970 2.738 3.267 0.867 6 12 "[ ***.+ *** - .****2]" 2 66 2 74 ASP O 2 78 GLU H . . 1.800 2.079 1.818 2.431 0.631 10 4 "[ * -.* + . 2]" 2 67 2 73 PRO O 2 77 LEU N . . 2.400 3.398 3.086 3.523 1.123 20 20 [*-*****************+] 2 68 2 73 PRO O 2 77 LEU H . . 1.800 2.489 2.191 2.593 0.793 7 19 "[* ***-+*************]" 2 69 2 110 LYS O 2 114 GLU N . . 2.400 3.128 2.839 3.347 0.947 2 18 "[ +*********-**** ***]" 2 70 2 110 LYS O 2 114 GLU H . . 1.800 2.301 1.909 2.500 0.700 20 14 "[ * *.-***** * ** **+]" 2 71 2 109 VAL O 2 113 LEU N . . 2.400 2.926 2.877 3.008 0.608 1 17 "[+* *.****-* ********]" 2 72 2 109 VAL O 2 113 LEU H . . 1.800 2.169 2.054 2.323 0.523 1 2 "[+ - . 1 . 2]" 2 73 2 108 VAL O 2 112 TYR N . . 2.400 3.155 3.063 3.336 0.936 9 20 [*******-+***********] 2 74 2 108 VAL O 2 112 TYR H . . 1.800 2.318 2.129 2.486 0.686 9 11 "[ ** .* +1** **-* *2]" 2 75 2 107 SER O 2 111 LYS N . . 2.400 3.284 3.232 3.348 0.948 14 20 [******-******+******] 2 76 2 107 SER O 2 111 LYS H . . 1.800 2.414 2.355 2.444 0.644 4 20 [**-+****************] 2 77 2 106 TRP O 2 110 LYS N . . 2.400 2.819 2.756 2.850 0.450 10 0 "[ . 1 . 2]" 2 78 2 106 TRP O 2 110 LYS H . . 1.800 1.871 1.805 1.922 0.122 14 0 "[ . 1 . 2]" 2 79 2 105 ALA O 2 109 VAL N . . 2.400 3.030 2.881 3.199 0.799 15 19 "[*******-******+* ***]" 2 80 2 105 ALA O 2 109 VAL H . . 1.800 2.078 1.934 2.235 0.435 15 0 "[ . 1 . 2]" 2 81 2 104 LYS O 2 108 VAL N . . 2.400 3.337 3.186 3.397 0.997 8 20 [*******+-***********] 2 82 2 104 LYS O 2 108 VAL H . . 1.800 2.438 2.280 2.482 0.682 8 19 "[******-+ ***********]" 2 83 2 103 SER O 2 107 SER N . . 2.400 3.262 3.231 3.305 0.905 8 20 [****-**+************] 2 84 2 103 SER O 2 107 SER H . . 1.800 2.447 2.422 2.487 0.687 17 20 [**-*************+***] 2 85 2 102 LEU O 2 106 TRP N . . 2.400 3.294 3.154 3.375 0.975 7 20 [*-****+*************] 2 86 2 102 LEU O 2 106 TRP H . . 1.800 2.373 2.230 2.464 0.664 7 16 "[* *** +* 1*******-**]" 2 87 2 101 THR O 2 105 ALA N . . 2.400 2.961 2.895 3.081 0.681 10 19 "[********-+ *********]" 2 88 2 101 THR O 2 105 ALA H . . 1.800 2.042 1.963 2.219 0.419 6 0 "[ . 1 . 2]" 2 89 2 100 ILE O 2 104 LYS N . . 2.400 2.954 2.880 3.004 0.604 2 16 "[*+**.****** * -*** *]" 2 90 2 100 ILE O 2 104 LYS H . . 1.800 1.965 1.890 2.015 0.215 2 0 "[ . 1 . 2]" 2 91 2 99 VAL O 2 103 SER N . . 2.400 2.948 2.871 3.035 0.635 19 18 "[*-*******1******* +*]" 2 92 2 99 VAL O 2 103 SER H . . 1.800 2.070 1.978 2.140 0.340 19 0 "[ . 1 . 2]" 2 93 2 98 PHE O 2 102 LEU N . . 2.400 3.458 3.414 3.495 1.095 1 20 [+***************-***] 2 94 2 98 PHE O 2 102 LEU H . . 1.800 2.517 2.475 2.548 0.748 5 20 [****+*******-*******] 2 95 2 97 TYR O 2 101 THR N . . 2.400 3.095 3.041 3.171 0.771 6 20 [*****+****-*********] 2 96 2 97 TYR O 2 101 THR H . . 1.800 2.142 2.099 2.202 0.402 6 0 "[ . 1 . 2]" 2 97 2 96 LYS O 2 100 ILE N . . 2.400 3.288 3.103 3.386 0.986 4 20 [***+********-*******] 2 98 2 96 LYS O 2 100 ILE H . . 1.800 2.444 2.261 2.540 0.740 18 19 "[************ ****+*-]" 2 99 2 95 GLN O 2 99 VAL N . . 2.400 3.269 3.084 3.402 1.002 1 20 [+****************-**] 2 100 2 95 GLN O 2 99 VAL H . . 1.800 2.403 2.286 2.521 0.721 1 17 "[+***.*****-***.** **]" 2 101 2 94 THR O 2 98 PHE N . . 2.400 3.067 2.823 3.393 0.993 9 17 "[** ** **+- *********]" 2 102 2 94 THR O 2 98 PHE H . . 1.800 2.212 1.906 2.491 0.691 9 7 "[* . * +1 **. *- 2]" 2 103 2 93 ASN O 2 97 TYR N . . 2.400 3.252 2.924 3.457 1.057 19 20 [******************+-] 2 104 2 93 ASN O 2 97 TYR H . . 1.800 2.306 1.954 2.512 0.712 19 12 "[ -**** **** * *+2]" 2 105 2 92 TRP O 2 96 LYS N . . 2.400 3.149 2.849 3.426 1.026 7 19 "[* *-**+*************]" 2 106 2 92 TRP O 2 96 LYS H . . 1.800 2.235 1.939 2.474 0.674 7 10 "[* **+ -1 * *. ** *]" 2 stop_ save_
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