NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
387580 | 1mek | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mek 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 1209 _Distance_constraint_stats_list.Viol_count 4480 _Distance_constraint_stats_list.Viol_total 12439.363 _Distance_constraint_stats_list.Viol_max 0.988 _Distance_constraint_stats_list.Viol_rms 0.0413 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0064 _Distance_constraint_stats_list.Viol_average_violations_only 0.0694 _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 ASP 0.264 0.072 3 0 "[ . 1 . 2 . 3 . 4]" 1 2 ALA 0.544 0.072 3 0 "[ . 1 . 2 . 3 . 4]" 1 3 PRO 0.452 0.086 16 0 "[ . 1 . 2 . 3 . 4]" 1 4 GLU 6.676 0.546 34 1 "[ . 1 . 2 . 3 +. 4]" 1 5 GLU 16.151 0.984 26 10 "[ ** 1 *. * 2 * .+* 3 -* * 4]" 1 6 GLU 15.852 0.984 26 9 "[ *- 1 *. * 2 * .+* 3 * * 4]" 1 7 ASP 0.247 0.060 33 0 "[ . 1 . 2 . 3 . 4]" 1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" 1 9 VAL 3.561 0.263 2 0 "[ . 1 . 2 . 3 . 4]" 1 10 LEU 18.329 0.812 16 6 "[ . * 1 ** .+ 2 . * 3 .* 4]" 1 11 VAL 13.051 0.812 16 6 "[ . * 1 ** .+ 2 . * 3 .* 4]" 1 12 LEU 3.395 0.169 27 0 "[ . 1 . 2 . 3 . 4]" 1 13 ARG 12.593 0.842 33 4 "[ . 1 . 2 . *3 + . - *4]" 1 14 LYS 12.219 0.842 33 4 "[ . 1 . 2 . *3 + . - *4]" 1 15 SER 7.339 0.481 1 0 "[ . 1 . 2 . 3 . 4]" 1 16 ASN 6.464 0.481 1 0 "[ . 1 . 2 . 3 . 4]" 1 17 PHE 7.328 0.481 1 0 "[ . 1 . 2 . 3 . 4]" 1 18 ALA 3.469 0.096 23 0 "[ . 1 . 2 . 3 . 4]" 1 19 GLU 7.680 0.500 3 0 "[ . 1 . 2 . 3 . 4]" 1 20 ALA 7.016 0.500 3 0 "[ . 1 . 2 . 3 . 4]" 1 21 LEU 7.984 0.164 17 0 "[ . 1 . 2 . 3 . 4]" 1 22 ALA 4.091 0.485 3 0 "[ . 1 . 2 . 3 . 4]" 1 23 ALA 2.552 0.164 17 0 "[ . 1 . 2 . 3 . 4]" 1 24 HIS 4.251 0.571 8 1 "[ . + 1 . 2 . 3 . 4]" 1 25 LYS 3.620 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]" 1 26 TYR 8.432 0.908 28 5 "[ * 1 - . 2 .* + 3* . 4]" 1 27 LEU 2.166 0.571 8 1 "[ . + 1 . 2 . 3 . 4]" 1 28 LEU 2.024 0.145 12 0 "[ . 1 . 2 . 3 . 4]" 1 29 VAL 0.636 0.087 22 0 "[ . 1 . 2 . 3 . 4]" 1 30 GLU 11.655 0.943 19 3 "[ . 1 - +2 . 3 * 4]" 1 31 PHE 8.021 0.943 19 3 "[ . 1 * +2 . 3 - 4]" 1 32 TYR 2.481 0.076 4 0 "[ . 1 . 2 . 3 . 4]" 1 33 ALA 5.389 0.122 34 0 "[ . 1 . 2 . 3 . 4]" 1 34 PRO 0.756 0.052 27 0 "[ . 1 . 2 . 3 . 4]" 1 35 TRP 0.299 0.086 26 0 "[ . 1 . 2 . 3 . 4]" 1 36 CYS 4.782 0.305 7 0 "[ . 1 . 2 . 3 . 4]" 1 37 GLY 0.918 0.918 9 1 "[ . +1 . 2 . 3 . 4]" 1 38 HIS 3.485 0.258 9 0 "[ . 1 . 2 . 3 . 4]" 1 39 CYS 9.380 0.918 9 2 "[ . +1 . 2 . 3 . - 4]" 1 40 LYS 2.615 0.257 38 0 "[ . 1 . 2 . 3 . 4]" 1 41 ALA 1.193 0.082 7 0 "[ . 1 . 2 . 3 . 4]" 1 42 LEU 0.671 0.376 15 0 "[ . 1 . 2 . 3 . 4]" 1 43 ALA 0.056 0.033 19 0 "[ . 1 . 2 . 3 . 4]" 1 44 PRO 4.253 0.229 26 0 "[ . 1 . 2 . 3 . 4]" 1 45 GLU 19.090 0.439 23 0 "[ . 1 . 2 . 3 . 4]" 1 46 TYR 9.013 0.392 37 0 "[ . 1 . 2 . 3 . 4]" 1 47 ALA 4.161 0.235 6 0 "[ . 1 . 2 . 3 . 4]" 1 48 LYS 4.144 0.229 26 0 "[ . 1 . 2 . 3 . 4]" 1 49 ALA 3.185 0.169 39 0 "[ . 1 . 2 . 3 . 4]" 1 50 ALA 5.009 0.988 34 4 "[ . -1 . * 2 . 3 +. *4]" 1 51 GLY 0.932 0.084 34 0 "[ . 1 . 2 . 3 . 4]" 1 52 LYS 0.959 0.093 34 0 "[ . 1 . 2 . 3 . 4]" 1 53 LEU 9.999 0.988 34 5 "[ . -1 . * 2 * 3 +. *4]" 1 54 LYS 2.184 0.157 34 0 "[ . 1 . 2 . 3 . 4]" 1 55 ALA 2.145 0.748 25 1 "[ . 1 . 2 + 3 . 4]" 1 56 GLU 7.545 0.788 25 3 "[ . 1* . 2 -+ 3 . 4]" 1 57 GLY 2.012 0.163 11 0 "[ . 1 . 2 . 3 . 4]" 1 58 SER 7.463 0.764 34 4 "[ . 1* . 2 -* 3 +. 4]" 1 59 GLU 16.796 0.908 28 6 "[ - 1 * * .* + 3* . 4]" 1 60 ILE 16.288 0.844 15 8 "[ * * 1 + ** * .- 3* . 4]" 1 61 ARG 4.270 0.559 12 1 "[ . 1 + . 2 . 3 . 4]" 1 62 LEU 1.310 0.078 15 0 "[ . 1 . 2 . 3 . 4]" 1 63 ALA 9.173 0.539 16 1 "[ . 1 .+ 2 . 3 . 4]" 1 64 LYS 8.706 0.661 15 7 "[ * 1 * + 2 ** 3 .*- 4]" 1 65 VAL 10.110 0.661 15 7 "[ * 1 * + 2 ** 3 .*- 4]" 1 66 ASP 1.508 0.070 25 0 "[ . 1 . 2 . 3 . 4]" 1 67 ALA 1.490 0.078 25 0 "[ . 1 . 2 . 3 . 4]" 1 68 THR 3.469 0.726 15 1 "[ . 1 + 2 . 3 . 4]" 1 69 GLU 2.635 0.726 15 1 "[ . 1 + 2 . 3 . 4]" 1 70 GLU 0.949 0.163 8 0 "[ . 1 . 2 . 3 . 4]" 1 71 SER 1.956 0.144 11 0 "[ . 1 . 2 . 3 . 4]" 1 72 ASP 2.718 0.192 3 0 "[ . 1 . 2 . 3 . 4]" 1 73 LEU 7.319 0.285 27 0 "[ . 1 . 2 . 3 . 4]" 1 74 ALA 6.410 0.285 27 0 "[ . 1 . 2 . 3 . 4]" 1 75 GLN 1.040 0.192 3 0 "[ . 1 . 2 . 3 . 4]" 1 76 GLN 11.533 0.556 32 2 "[ . 1 . 2 - . 3 + . 4]" 1 77 TYR 7.739 0.275 37 0 "[ . 1 . 2 . 3 . 4]" 1 78 GLY 8.804 0.556 32 2 "[ . 1 . 2 - . 3 + . 4]" 1 79 VAL 0.757 0.096 31 0 "[ . 1 . 2 . 3 . 4]" 1 80 ARG 3.255 0.513 30 1 "[ . 1 . 2 . + . 4]" 1 81 GLY 0.172 0.078 30 0 "[ . 1 . 2 . 3 . 4]" 1 82 TYR 1.812 0.225 39 0 "[ . 1 . 2 . 3 . 4]" 1 83 PRO 5.578 0.918 9 3 "[ . +1 - *2 . 3 . 4]" 1 84 THR 4.115 0.529 15 1 "[ . 1 + 2 . 3 . 4]" 1 85 ILE 2.201 0.630 19 2 "[ . 1 - +2 . 3 . 4]" 1 86 LYS 0.887 0.291 16 0 "[ . 1 . 2 . 3 . 4]" 1 87 PHE 1.642 0.057 29 0 "[ . 1 . 2 . 3 . 4]" 1 88 PHE 5.783 0.143 20 0 "[ . 1 . 2 . 3 . 4]" 1 89 ARG 6.845 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]" 1 90 ASN 5.771 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]" 1 91 GLY 0.923 0.163 12 0 "[ . 1 . 2 . 3 . 4]" 1 92 ASP 0.271 0.056 32 0 "[ . 1 . 2 . 3 . 4]" 1 93 THR 0.418 0.086 32 0 "[ . 1 . 2 . 3 . 4]" 1 94 ALA 2.976 0.145 29 0 "[ . 1 . 2 . 3 . 4]" 1 95 SER 5.337 0.556 3 1 "[ + . 1 . 2 . 3 . 4]" 1 96 PRO 0.245 0.056 17 0 "[ . 1 . 2 . 3 . 4]" 1 97 LYS 4.727 0.458 38 0 "[ . 1 . 2 . 3 . 4]" 1 98 GLU 3.579 0.458 38 0 "[ . 1 . 2 . 3 . 4]" 1 99 TYR 1.483 0.167 40 0 "[ . 1 . 2 . 3 . 4]" 1 100 THR 0.111 0.058 12 0 "[ . 1 . 2 . 3 . 4]" 1 101 ALA 1.518 0.600 17 2 "[ . 1 . + 2 . 3- . 4]" 1 102 GLY 1.488 0.103 3 0 "[ . 1 . 2 . 3 . 4]" 1 103 ARG 4.461 0.513 3 1 "[ + . 1 . 2 . 3 . 4]" 1 104 GLU 13.376 0.763 3 5 "[ + . 1* . - * . 3* . 4]" 1 105 ALA 20.688 0.763 3 4 "[ + . 1* . - * . 3 . 4]" 1 106 ASP 4.107 0.211 14 0 "[ . 1 . 2 . 3 . 4]" 1 107 ASP 5.016 0.268 32 0 "[ . 1 . 2 . 3 . 4]" 1 108 ILE 4.700 0.268 32 0 "[ . 1 . 2 . 3 . 4]" 1 109 VAL 2.039 0.191 27 0 "[ . 1 . 2 . 3 . 4]" 1 110 ASN 4.873 0.191 27 0 "[ . 1 . 2 . 3 . 4]" 1 111 TRP 5.571 0.600 17 2 "[ . 1 . + 2 . 3- . 4]" 1 112 LEU 2.899 0.480 19 0 "[ . 1 . 2 . 3 . 4]" 1 113 LYS 17.474 0.504 19 3 "[ . 1 . +2 * 3 -. 4]" 1 114 LYS 0.599 0.214 40 0 "[ . 1 . 2 . 3 . 4]" 1 115 ARG 0.419 0.073 30 0 "[ . 1 . 2 . 3 . 4]" 1 116 THR 1.698 0.170 23 0 "[ . 1 . 2 . 3 . 4]" 1 117 GLY 0.960 0.214 40 0 "[ . 1 . 2 . 3 . 4]" 1 118 PRO 0.683 0.077 1 0 "[ . 1 . 2 . 3 . 4]" 1 119 ALA 0.456 0.077 1 0 "[ . 1 . 2 . 3 . 4]" 1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 ASP HA 1 2 ALA H 3.000 . 3.500 2.626 2.205 3.572 0.072 3 0 "[ . 1 . 2 . 3 . 4]" 1 2 1 1 ASP HB2 1 2 ALA H 4.000 . 5.000 3.678 1.971 4.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 3 1 1 ASP HB3 1 2 ALA H 4.000 . 5.000 3.805 1.947 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 4 1 2 ALA H 1 2 ALA HA 3.000 . 3.500 2.743 2.355 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 5 1 2 ALA H 1 2 ALA MB 3.000 . 3.500 2.539 1.946 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 6 1 2 ALA H 1 3 PRO HD2 4.000 . 5.000 4.486 3.776 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 7 1 2 ALA H 1 3 PRO HD3 4.000 . 5.000 3.970 2.619 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 8 1 2 ALA HA 1 3 PRO HD2 2.000 . 2.500 2.211 2.039 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 9 1 2 ALA HA 1 3 PRO HD3 2.000 . 2.500 2.397 2.205 2.533 0.033 24 0 "[ . 1 . 2 . 3 . 4]" 1 10 1 2 ALA HA 1 3 PRO QG 4.000 . 5.000 3.930 3.864 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 11 1 3 PRO HA 1 4 GLU H 2.000 . 2.500 2.334 2.215 2.586 0.086 16 0 "[ . 1 . 2 . 3 . 4]" 1 12 1 3 PRO HB3 1 4 GLU H 4.000 . 5.000 3.868 3.339 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 13 1 4 GLU H 1 4 GLU HB2 4.000 . 5.000 2.597 1.944 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 14 1 4 GLU H 1 4 GLU HB3 3.000 . 3.500 3.001 2.323 3.977 0.477 33 0 "[ . 1 . 2 . 3 . 4]" 1 15 1 4 GLU H 1 4 GLU QG 4.000 . 5.000 3.728 1.676 4.466 0.124 34 0 "[ . 1 . 2 . 3 . 4]" 1 16 1 4 GLU H 1 5 GLU H 4.000 . 5.000 4.503 3.080 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 17 1 4 GLU H 1 16 ASN QD 4.000 . 5.000 4.112 3.079 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 18 1 4 GLU HB2 1 5 GLU H 3.000 . 3.500 2.796 1.931 3.944 0.444 6 0 "[ . 1 . 2 . 3 . 4]" 1 19 1 4 GLU HB3 1 5 GLU H 3.000 . 3.500 2.793 1.761 3.831 0.331 5 0 "[ . 1 . 2 . 3 . 4]" 1 20 1 4 GLU QG 1 5 GLU H . . 3.500 3.173 1.934 4.046 0.546 34 1 "[ . 1 . 2 . 3 +. 4]" 1 21 1 5 GLU H 1 5 GLU HB2 4.000 . 5.000 3.351 2.352 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 22 1 5 GLU H 1 5 GLU HB3 4.000 . 5.000 3.446 2.411 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 23 1 5 GLU H 1 6 GLU H 4.000 . 5.000 4.411 4.077 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 24 1 5 GLU H 1 11 VAL QG 4.000 . 5.000 3.849 1.843 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 25 1 5 GLU HA 1 6 GLU H 2.000 . 2.500 2.379 2.203 2.577 0.077 21 0 "[ . 1 . 2 . 3 . 4]" 1 26 1 5 GLU HA 1 11 VAL H 3.000 . 3.500 3.175 2.255 3.608 0.108 26 0 "[ . 1 . 2 . 3 . 4]" 1 27 1 5 GLU QB 1 6 GLU H 3.000 . 3.500 2.745 2.113 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 28 1 5 GLU HB2 1 6 GLU H 3.000 . 3.500 3.247 2.128 4.484 0.984 26 9 "[ *- 1 *. * 2 * .+* 3 * * 4]" 1 29 1 5 GLU HG3 1 6 GLU H 4.000 . 5.000 4.449 3.607 5.343 0.343 37 0 "[ . 1 . 2 . 3 . 4]" 1 30 1 6 GLU H 1 6 GLU HB2 3.000 . 3.500 2.435 2.029 3.660 0.160 14 0 "[ . 1 . 2 . 3 . 4]" 1 31 1 6 GLU H 1 6 GLU HB3 3.000 . 3.500 3.458 2.628 3.694 0.194 32 0 "[ . 1 . 2 . 3 . 4]" 1 32 1 6 GLU H 1 6 GLU QG 3.000 . 3.500 3.351 1.894 3.890 0.390 8 0 "[ . 1 . 2 . 3 . 4]" 1 33 1 6 GLU H 1 9 VAL H 3.000 . 3.500 3.263 2.539 3.581 0.081 17 0 "[ . 1 . 2 . 3 . 4]" 1 34 1 6 GLU H 1 9 VAL HB 4.000 . 5.000 4.002 2.717 5.051 0.051 5 0 "[ . 1 . 2 . 3 . 4]" 1 35 1 6 GLU H 1 9 VAL QG 3.000 . 3.500 3.179 2.474 3.578 0.078 37 0 "[ . 1 . 2 . 3 . 4]" 1 36 1 6 GLU H 1 11 VAL H 4.000 . 5.000 4.722 3.890 5.069 0.069 14 0 "[ . 1 . 2 . 3 . 4]" 1 37 1 7 ASP HB2 1 47 ALA MB 3.000 . 3.500 3.205 2.239 3.560 0.060 33 0 "[ . 1 . 2 . 3 . 4]" 1 38 1 7 ASP HB3 1 47 ALA MB 3.000 . 3.500 2.999 1.938 3.534 0.034 17 0 "[ . 1 . 2 . 3 . 4]" 1 39 1 8 HIS HA 1 9 VAL H 3.000 . 3.500 3.121 2.755 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 40 1 9 VAL H 1 9 VAL HA 3.000 . 3.500 2.989 2.950 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 41 1 9 VAL H 1 9 VAL HB 3.000 . 3.500 2.863 2.448 3.763 0.263 2 0 "[ . 1 . 2 . 3 . 4]" 1 42 1 9 VAL H 1 9 VAL QG 3.000 . 3.500 2.570 1.828 3.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 43 1 9 VAL H 1 10 LEU H 4.000 . 5.000 4.460 4.062 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 44 1 9 VAL HA 1 10 LEU H 2.000 . 2.500 2.461 2.239 2.641 0.141 5 0 "[ . 1 . 2 . 3 . 4]" 1 45 1 9 VAL HA 1 50 ALA MB 4.000 . 5.000 3.251 2.662 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 46 1 9 VAL HB 1 10 LEU H 4.000 . 5.000 3.464 2.158 4.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 47 1 9 VAL QG 1 10 LEU H 3.000 . 3.500 2.274 1.828 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 48 1 9 VAL QG 1 64 LYS H 3.000 . 3.500 3.148 2.805 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 49 1 9 VAL QG 1 65 VAL H 4.000 . 5.000 4.551 3.898 4.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 50 1 9 VAL QG 1 46 TYR QD 3.000 . 3.500 2.973 1.877 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 51 1 9 VAL QG 1 46 TYR QE 4.000 . 5.000 2.135 1.711 3.286 0.089 13 0 "[ . 1 . 2 . 3 . 4]" 1 52 1 9 VAL QG 1 47 ALA H 4.000 . 5.000 3.928 2.888 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 53 1 9 VAL QG 1 47 ALA MB 4.000 . 5.000 2.488 1.781 3.128 0.019 39 0 "[ . 1 . 2 . 3 . 4]" 1 54 1 9 VAL QG 1 48 LYS H 4.000 . 5.000 4.561 4.187 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 55 1 9 VAL QG 1 50 ALA MB 4.000 . 5.000 2.258 1.772 3.253 0.028 9 0 "[ . 1 . 2 . 3 . 4]" 1 56 1 9 VAL QG 1 51 GLY H 4.000 . 5.000 4.790 4.063 4.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 57 1 9 VAL QG 1 63 ALA H 4.000 . 5.000 3.752 2.894 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 58 1 9 VAL QG 1 63 ALA HA 4.000 . 5.000 2.692 1.839 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 59 1 10 LEU H 1 10 LEU HA 3.000 . 3.500 2.983 2.941 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 60 1 10 LEU H 1 10 LEU HB2 3.000 . 3.500 2.844 2.026 3.979 0.479 36 0 "[ . 1 . 2 . 3 . 4]" 1 61 1 10 LEU H 1 10 LEU HB3 3.000 . 3.500 2.866 2.394 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 62 1 10 LEU H 1 10 LEU QD 3.000 . 3.500 2.838 1.775 3.431 0.025 27 0 "[ . 1 . 2 . 3 . 4]" 1 63 1 10 LEU H 1 11 VAL H 4.000 . 5.000 4.513 4.373 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 64 1 10 LEU H 1 62 LEU O 2.300 . 2.300 2.286 1.906 2.372 0.072 29 0 "[ . 1 . 2 . 3 . 4]" 1 65 1 10 LEU H 1 63 ALA HA 2.000 . 2.500 2.499 2.183 2.595 0.095 37 0 "[ . 1 . 2 . 3 . 4]" 1 66 1 10 LEU H 1 64 LYS H 4.000 . 5.000 4.423 4.113 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 67 1 10 LEU HA 1 11 VAL H 2.000 . 2.500 2.413 2.214 2.603 0.103 9 0 "[ . 1 . 2 . 3 . 4]" 1 68 1 10 LEU HB2 1 11 VAL H 4.000 . 5.000 2.914 1.990 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 69 1 10 LEU HB3 1 11 VAL H 3.000 . 3.500 3.367 2.210 4.312 0.812 16 6 "[ . - 1 ** .+ 2 . * 3 .* 4]" 1 70 1 10 LEU HB3 1 11 VAL H 3.000 . 3.500 3.229 2.191 4.039 0.539 16 1 "[ . 1 .+ 2 . 3 . 4]" 1 71 1 10 LEU QD 1 11 VAL H . . 3.500 2.649 1.786 3.431 0.014 25 0 "[ . 1 . 2 . 3 . 4]" 1 72 1 10 LEU QD 1 20 ALA H 4.000 . 5.000 4.382 3.899 4.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 73 1 10 LEU QD 1 28 LEU H 4.000 . 5.000 3.696 3.354 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 74 1 10 LEU QD 1 63 ALA H 4.000 . 5.000 3.859 3.378 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 75 1 10 LEU QD 1 62 LEU H 3.000 . 3.500 3.088 2.095 3.510 0.010 32 0 "[ . 1 . 2 . 3 . 4]" 1 76 1 10 LEU QD 1 64 LYS H 4.000 . 5.000 4.354 3.037 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 77 1 10 LEU HG 1 63 ALA H 4.000 . 5.000 4.240 3.488 4.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 78 1 10 LEU N 1 62 LEU O 3.300 2.400 3.300 3.202 2.812 3.328 0.028 24 0 "[ . 1 . 2 . 3 . 4]" 1 79 1 10 LEU O 1 64 LYS H 2.300 . 2.300 2.176 1.922 2.376 0.076 21 0 "[ . 1 . 2 . 3 . 4]" 1 80 1 10 LEU O 1 64 LYS N 3.300 2.400 3.300 2.964 2.677 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 81 1 11 VAL H 1 11 VAL HA 3.000 . 3.500 2.984 2.913 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 82 1 11 VAL H 1 11 VAL QG 3.000 . 3.500 2.190 1.833 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 83 1 11 VAL H 1 64 LYS H 4.000 . 5.000 3.291 2.929 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 84 1 11 VAL HA 1 12 LEU H 4.000 . 5.000 2.307 2.225 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 85 1 11 VAL HA 1 64 LYS H 3.000 . 3.500 2.203 1.913 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 86 1 11 VAL HB 1 12 LEU H 4.000 . 5.000 3.915 3.034 4.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 87 1 11 VAL HB 1 64 LYS H 4.000 . 5.000 4.660 3.571 5.104 0.104 13 0 "[ . 1 . 2 . 3 . 4]" 1 88 1 11 VAL QG 1 12 LEU H 4.000 . 5.000 2.462 1.933 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 89 1 12 LEU H 1 13 ARG H 4.000 . 5.000 4.505 4.356 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 90 1 12 LEU H 1 64 LYS H 3.000 . 3.500 3.398 3.017 3.552 0.052 25 0 "[ . 1 . 2 . 3 . 4]" 1 91 1 12 LEU H 1 64 LYS O 2.300 . 2.300 2.007 1.557 2.339 0.039 25 0 "[ . 1 . 2 . 3 . 4]" 1 92 1 12 LEU H 1 65 VAL HA 4.000 . 5.000 3.056 2.688 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 93 1 12 LEU H 1 66 ASP H 4.000 . 5.000 4.998 4.664 5.070 0.070 25 0 "[ . 1 . 2 . 3 . 4]" 1 94 1 12 LEU HA 1 13 ARG H 2.000 . 2.500 2.488 2.242 2.669 0.169 27 0 "[ . 1 . 2 . 3 . 4]" 1 95 1 12 LEU HB2 1 13 ARG H 3.000 . 3.500 2.895 1.935 3.663 0.163 4 0 "[ . 1 . 2 . 3 . 4]" 1 96 1 12 LEU HB3 1 13 ARG H 3.000 . 3.500 2.558 2.159 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 97 1 12 LEU QD 1 13 ARG H 3.000 . 3.500 3.040 2.231 3.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 98 1 12 LEU QD 1 16 ASN H 4.000 . 5.000 4.561 3.663 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 99 1 12 LEU QD 1 16 ASN QD 4.000 . 5.000 3.439 2.530 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 100 1 12 LEU QD 1 17 PHE H 4.000 . 5.000 3.656 2.515 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 101 1 12 LEU QD 1 20 ALA H 4.000 . 5.000 3.316 2.868 4.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 102 1 12 LEU QD 1 20 ALA MB 3.000 . 3.500 1.867 1.659 2.327 0.141 24 0 "[ . 1 . 2 . 3 . 4]" 1 103 1 12 LEU QD 1 64 LYS H 4.000 . 5.000 3.669 2.319 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 104 1 12 LEU HG 1 17 PHE H 4.000 . 5.000 3.717 2.700 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 105 1 12 LEU HG 1 20 ALA H 4.000 . 5.000 4.435 3.638 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 106 1 12 LEU N 1 64 LYS O 3.300 2.400 3.300 2.926 2.506 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 107 1 13 ARG H 1 13 ARG HB2 4.000 . 5.000 3.130 2.255 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 108 1 13 ARG H 1 13 ARG HB3 3.000 . 3.500 3.456 2.782 3.871 0.371 33 0 "[ . 1 . 2 . 3 . 4]" 1 109 1 13 ARG H 1 14 LYS H 4.000 . 5.000 4.317 3.758 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 110 1 13 ARG H 1 15 SER H 4.000 . 5.000 4.375 3.485 4.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 111 1 13 ARG H 1 16 ASN H 4.000 . 5.000 3.018 2.462 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 112 1 13 ARG H 1 16 ASN H 4.000 . 5.000 2.784 2.081 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 113 1 13 ARG H 1 16 ASN QD 4.000 . 5.000 3.491 2.094 3.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 114 1 13 ARG H 1 17 PHE H 4.000 . 5.000 2.934 2.225 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 115 1 13 ARG H 1 17 PHE HA 4.000 . 5.000 3.811 2.560 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 116 1 13 ARG H 1 17 PHE QD 4.000 . 5.000 4.673 3.495 5.046 0.046 26 0 "[ . 1 . 2 . 3 . 4]" 1 117 1 13 ARG H 1 20 ALA MB 4.000 . 5.000 4.928 4.573 5.087 0.087 25 0 "[ . 1 . 2 . 3 . 4]" 1 118 1 13 ARG HA 1 14 LYS H 3.000 . 3.500 2.735 2.329 3.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 119 1 13 ARG HA 1 15 SER H 4.000 . 5.000 4.528 4.100 5.033 0.033 13 0 "[ . 1 . 2 . 3 . 4]" 1 120 1 13 ARG HA 1 70 GLU QG 4.000 . 5.000 2.207 1.683 3.652 0.117 7 0 "[ . 1 . 2 . 3 . 4]" 1 121 1 13 ARG HB2 1 14 LYS H 3.000 . 3.500 3.169 1.899 4.211 0.711 29 3 "[ . 1 . 2 . +3 . - *4]" 1 122 1 13 ARG HB2 1 16 ASN H 4.000 . 5.000 3.676 2.401 4.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 123 1 13 ARG HB3 1 14 LYS H 3.000 . 3.500 2.570 1.784 3.568 0.068 6 0 "[ . 1 . 2 . 3 . 4]" 1 124 1 13 ARG HB3 1 16 ASN H 4.000 . 5.000 3.647 2.343 4.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 125 1 13 ARG HB3 1 16 ASN QD 4.000 . 5.000 3.912 2.501 5.009 0.009 11 0 "[ . 1 . 2 . 3 . 4]" 1 126 1 13 ARG HD2 1 14 LYS H 4.000 . 5.000 4.272 2.086 5.842 0.842 33 1 "[ . 1 . 2 . 3 + . 4]" 1 127 1 13 ARG QG 1 16 ASN QD 4.000 . 5.000 3.322 1.932 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 128 1 14 LYS H 1 14 LYS HA 3.000 . 3.500 2.855 2.741 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 129 1 14 LYS H 1 14 LYS HB2 3.000 . 3.500 2.135 1.933 3.504 0.004 22 0 "[ . 1 . 2 . 3 . 4]" 1 130 1 14 LYS H 1 14 LYS HB3 3.000 . 3.500 3.226 2.258 3.529 0.029 31 0 "[ . 1 . 2 . 3 . 4]" 1 131 1 14 LYS H 1 14 LYS HD3 4.000 . 5.000 3.270 2.158 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 132 1 14 LYS H 1 15 SER H 3.000 . 3.500 2.705 1.889 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 133 1 14 LYS H 1 16 ASN H 4.000 . 5.000 3.999 3.178 4.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 134 1 14 LYS H 1 70 GLU HA 4.000 . 5.000 4.536 3.611 5.078 0.078 40 0 "[ . 1 . 2 . 3 . 4]" 1 135 1 14 LYS H 1 70 GLU QG 4.000 . 5.000 3.336 2.090 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 136 1 14 LYS H 1 73 LEU QD 3.000 . 3.500 3.111 2.303 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 137 1 14 LYS HA 1 73 LEU H 4.000 . 5.000 4.791 3.816 5.046 0.046 29 0 "[ . 1 . 2 . 3 . 4]" 1 138 1 14 LYS HA 1 73 LEU QD 4.000 . 5.000 1.883 1.672 2.274 0.128 29 0 "[ . 1 . 2 . 3 . 4]" 1 139 1 14 LYS HB2 1 15 SER H 3.000 . 3.500 3.209 2.429 3.628 0.128 29 0 "[ . 1 . 2 . 3 . 4]" 1 140 1 14 LYS HB2 1 72 ASP H 4.000 . 5.000 4.610 4.173 5.192 0.192 3 0 "[ . 1 . 2 . 3 . 4]" 1 141 1 14 LYS HB3 1 15 SER H 3.000 . 3.500 3.303 2.347 3.754 0.254 29 0 "[ . 1 . 2 . 3 . 4]" 1 142 1 14 LYS HD3 1 72 ASP H 4.000 . 5.000 3.691 2.496 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 143 1 14 LYS HG3 1 72 ASP H 4.000 . 5.000 3.926 3.448 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 144 1 14 LYS HG3 1 73 LEU H 3.000 . 3.500 3.529 3.150 3.785 0.285 27 0 "[ . 1 . 2 . 3 . 4]" 1 145 1 15 SER H 1 15 SER HA 3.000 . 3.500 2.987 2.904 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 146 1 15 SER H 1 15 SER HB2 3.000 . 3.500 2.489 2.105 3.511 0.011 1 0 "[ . 1 . 2 . 3 . 4]" 1 147 1 15 SER H 1 15 SER HB3 3.000 . 3.500 3.028 2.165 3.535 0.035 34 0 "[ . 1 . 2 . 3 . 4]" 1 148 1 15 SER H 1 16 ASN H 3.000 . 3.500 2.266 1.886 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 149 1 15 SER H 1 16 ASN HA 4.000 . 5.000 4.873 4.615 5.234 0.234 29 0 "[ . 1 . 2 . 3 . 4]" 1 150 1 15 SER H 1 17 PHE H 4.000 . 5.000 3.988 3.475 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 151 1 15 SER H 1 73 LEU QD 4.000 . 5.000 4.076 3.430 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 152 1 15 SER HA 1 16 ASN H 4.000 . 5.000 3.365 3.174 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 153 1 15 SER HA 1 17 PHE H 4.000 . 5.000 4.209 3.605 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 154 1 15 SER HB2 1 16 ASN H 4.000 . 5.000 3.825 2.860 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 155 1 15 SER HB3 1 16 ASN H 3.000 . 3.500 3.525 2.845 3.981 0.481 1 0 "[ . 1 . 2 . 3 . 4]" 1 156 1 16 ASN H 1 16 ASN HA 3.000 . 3.500 2.963 2.838 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 157 1 16 ASN H 1 16 ASN HB2 4.000 . 5.000 2.679 1.934 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 158 1 16 ASN H 1 16 ASN HB3 4.000 . 5.000 3.129 2.387 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 159 1 16 ASN H 1 17 PHE H 3.000 . 3.500 2.214 1.910 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 160 1 16 ASN H 1 17 PHE HB2 4.000 . 5.000 4.212 3.737 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 161 1 16 ASN H 1 17 PHE HB3 4.000 . 5.000 4.485 4.074 5.011 0.011 28 0 "[ . 1 . 2 . 3 . 4]" 1 162 1 16 ASN H 1 18 ALA H 4.000 . 5.000 4.749 4.175 5.068 0.068 40 0 "[ . 1 . 2 . 3 . 4]" 1 163 1 16 ASN H 1 19 GLU H 4.000 . 5.000 3.761 3.445 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 164 1 16 ASN H 1 73 LEU QD 4.000 . 5.000 4.043 3.227 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 165 1 16 ASN HA 1 17 PHE H 3.000 . 3.500 3.423 2.999 3.535 0.035 35 0 "[ . 1 . 2 . 3 . 4]" 1 166 1 16 ASN HA 1 18 ALA H 4.000 . 5.000 4.865 4.344 5.030 0.030 3 0 "[ . 1 . 2 . 3 . 4]" 1 167 1 16 ASN HA 1 19 GLU H 3.000 . 3.500 3.395 3.170 3.518 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1 168 1 16 ASN HA 1 19 GLU HB2 4.000 . 5.000 2.825 2.268 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 169 1 16 ASN HA 1 19 GLU HB3 4.000 . 5.000 2.497 2.097 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 170 1 16 ASN HA 1 20 ALA H 4.000 . 5.000 3.889 3.288 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 171 1 16 ASN HB2 1 17 PHE H 4.000 . 5.000 3.594 2.697 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 172 1 16 ASN O 1 20 ALA H 2.300 . 2.300 1.932 1.552 2.337 0.037 7 0 "[ . 1 . 2 . 3 . 4]" 1 173 1 16 ASN O 1 20 ALA N 3.300 2.400 3.300 2.895 2.517 3.311 0.011 29 0 "[ . 1 . 2 . 3 . 4]" 1 174 1 17 PHE H 1 17 PHE HA 3.000 . 3.500 2.837 2.783 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 175 1 17 PHE H 1 17 PHE HB2 3.000 . 3.500 2.352 2.208 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 176 1 17 PHE H 1 17 PHE HB3 3.000 . 3.500 2.523 2.310 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 177 1 17 PHE H 1 17 PHE QD 4.000 . 5.000 4.116 4.059 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 178 1 17 PHE H 1 18 ALA H 3.000 . 3.500 3.028 2.748 3.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 179 1 17 PHE H 1 73 LEU QD . . 3.500 3.247 2.853 3.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 180 1 17 PHE HA 1 18 ALA H 3.000 . 3.500 2.727 2.702 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 181 1 17 PHE HA 1 20 ALA H 3.000 . 3.500 3.252 3.111 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 182 1 17 PHE HA 1 21 LEU H 3.000 . 3.500 3.389 3.173 3.532 0.032 33 0 "[ . 1 . 2 . 3 . 4]" 1 183 1 17 PHE HA 1 20 ALA MB 4.000 . 5.000 3.219 2.594 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 184 1 17 PHE HB2 1 18 ALA H 3.000 . 3.500 3.513 3.448 3.596 0.096 23 0 "[ . 1 . 2 . 3 . 4]" 1 185 1 17 PHE HB2 1 73 LEU QD 4.000 . 5.000 1.999 1.770 2.315 0.030 12 0 "[ . 1 . 2 . 3 . 4]" 1 186 1 17 PHE HB3 1 18 ALA H 3.000 . 3.500 1.988 1.923 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 187 1 17 PHE QD 1 18 ALA H 3.000 . 3.500 2.726 2.510 3.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 188 1 17 PHE QD 1 19 GLU H 4.000 . 5.000 4.656 4.476 5.047 0.047 39 0 "[ . 1 . 2 . 3 . 4]" 1 189 1 17 PHE QD 1 21 LEU H 4.000 . 5.000 4.784 4.402 5.016 0.016 9 0 "[ . 1 . 2 . 3 . 4]" 1 190 1 17 PHE QD 1 21 LEU QD 4.000 . 5.000 2.800 1.953 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 191 1 17 PHE QD 1 29 VAL QG 4.000 . 5.000 3.068 2.324 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 192 1 17 PHE QE 1 18 ALA H 4.000 . 5.000 4.993 4.853 5.091 0.091 20 0 "[ . 1 . 2 . 3 . 4]" 1 193 1 17 PHE QE 1 21 LEU QD 3.000 . 3.500 2.311 1.802 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 194 1 17 PHE QE 1 29 VAL QG 3.000 . 3.500 2.510 1.854 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 195 1 17 PHE HZ 1 21 LEU QD 4.000 . 5.000 3.056 2.382 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 196 1 17 PHE HZ 1 29 VAL QG 4.000 . 5.000 3.668 2.118 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 197 1 18 ALA H 1 18 ALA HA 3.000 . 3.500 2.828 2.797 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 198 1 18 ALA H 1 18 ALA MB 3.000 . 3.500 2.059 1.919 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 199 1 18 ALA H 1 19 GLU H 3.000 . 3.500 2.749 2.684 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 200 1 18 ALA H 1 19 GLU HB2 4.000 . 5.000 4.855 4.674 5.008 0.008 1 0 "[ . 1 . 2 . 3 . 4]" 1 201 1 18 ALA H 1 19 GLU HB3 4.000 . 5.000 5.016 4.919 5.056 0.056 33 0 "[ . 1 . 2 . 3 . 4]" 1 202 1 18 ALA H 1 20 ALA H 4.000 . 5.000 4.837 4.474 5.023 0.023 39 0 "[ . 1 . 2 . 3 . 4]" 1 203 1 18 ALA H 1 21 LEU QD 4.000 . 5.000 4.336 3.784 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 204 1 18 ALA HA 1 19 GLU H 3.000 . 3.500 2.767 2.711 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 205 1 18 ALA HA 1 20 ALA H 3.000 . 3.500 3.505 3.458 3.529 0.029 1 0 "[ . 1 . 2 . 3 . 4]" 1 206 1 18 ALA HA 1 22 ALA H 3.000 . 3.500 3.415 3.214 3.535 0.035 9 0 "[ . 1 . 2 . 3 . 4]" 1 207 1 18 ALA HA 1 21 LEU HB2 4.000 . 5.000 2.812 2.143 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 208 1 18 ALA HA 1 21 LEU HB3 4.000 . 5.000 3.976 3.192 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 209 1 18 ALA HA 1 21 LEU QD 4.000 . 5.000 3.095 1.983 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 210 1 18 ALA MB 1 19 GLU H 3.000 . 3.500 2.841 2.436 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 211 1 18 ALA MB 1 21 LEU QD 4.000 . 5.000 4.105 2.975 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 212 1 19 GLU H 1 19 GLU HB2 3.000 . 3.500 2.416 2.244 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 213 1 19 GLU H 1 19 GLU HB3 3.000 . 3.500 2.483 2.414 2.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 214 1 19 GLU H 1 20 ALA H 3.000 . 3.500 2.726 2.458 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 215 1 19 GLU H 1 20 ALA MB 4.000 . 5.000 4.122 3.841 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 216 1 19 GLU H 1 21 LEU H 4.000 . 5.000 3.908 3.539 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 217 1 19 GLU H 1 21 LEU HG 4.000 . 5.000 4.963 4.032 5.164 0.164 17 0 "[ . 1 . 2 . 3 . 4]" 1 218 1 19 GLU H 1 22 ALA H 4.000 . 5.000 4.772 4.452 5.006 0.006 12 0 "[ . 1 . 2 . 3 . 4]" 1 219 1 19 GLU HA 1 22 ALA MB 3.000 . 3.500 3.115 2.591 3.535 0.035 24 0 "[ . 1 . 2 . 3 . 4]" 1 220 1 19 GLU HA 1 23 ALA H 4.000 . 5.000 4.267 2.912 5.008 0.008 20 0 "[ . 1 . 2 . 3 . 4]" 1 221 1 19 GLU HB2 1 20 ALA H 3.000 . 3.500 3.535 3.471 3.595 0.095 12 0 "[ . 1 . 2 . 3 . 4]" 1 222 1 19 GLU HB3 1 20 ALA H 3.000 . 3.500 2.074 1.950 2.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 223 1 19 GLU QG 1 20 ALA H 3.000 . 3.500 3.345 3.021 4.000 0.500 3 0 "[ . 1 . 2 . 3 . 4]" 1 224 1 19 GLU QG 1 22 ALA H 4.000 . 5.000 4.953 4.538 5.485 0.485 3 0 "[ . 1 . 2 . 3 . 4]" 1 225 1 19 GLU QG 1 23 ALA H 4.000 . 5.000 4.422 3.350 5.082 0.082 3 0 "[ . 1 . 2 . 3 . 4]" 1 226 1 20 ALA H 1 20 ALA HA 3.000 . 3.500 2.805 2.774 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 227 1 20 ALA H 1 20 ALA MB 3.000 . 3.500 1.992 1.914 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 228 1 20 ALA H 1 21 LEU H 3.000 . 3.500 2.850 2.674 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 229 1 20 ALA H 1 21 LEU HB2 4.000 . 5.000 4.427 4.130 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 230 1 20 ALA H 1 21 LEU QD 4.000 . 5.000 4.028 3.646 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 231 1 20 ALA H 1 22 ALA H 4.000 . 5.000 4.495 4.122 4.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 232 1 20 ALA H 1 23 ALA H 4.000 . 5.000 4.742 4.416 5.023 0.023 13 0 "[ . 1 . 2 . 3 . 4]" 1 233 1 20 ALA H 1 23 ALA MB 4.000 . 5.000 4.014 3.593 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 234 1 20 ALA HA 1 21 LEU H 3.000 . 3.500 3.549 3.508 3.581 0.081 11 0 "[ . 1 . 2 . 3 . 4]" 1 235 1 20 ALA HA 1 22 ALA H 4.000 . 5.000 4.644 3.973 5.057 0.057 12 0 "[ . 1 . 2 . 3 . 4]" 1 236 1 20 ALA HA 1 23 ALA H 4.000 . 5.000 3.479 3.058 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 237 1 20 ALA HA 1 23 ALA MB 4.000 . 5.000 2.207 1.836 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 238 1 20 ALA HA 1 24 HIS H 4.000 . 5.000 4.043 3.280 5.027 0.027 18 0 "[ . 1 . 2 . 3 . 4]" 1 239 1 20 ALA MB 1 21 LEU H 3.000 . 3.500 2.551 2.213 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 240 1 20 ALA MB 1 27 LEU QD 4.000 . 5.000 2.351 1.750 3.918 0.050 1 0 "[ . 1 . 2 . 3 . 4]" 1 241 1 21 LEU H 1 21 LEU HA 3.000 . 3.500 2.859 2.801 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 242 1 21 LEU H 1 21 LEU HB2 3.000 . 3.500 2.119 1.938 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 243 1 21 LEU H 1 21 LEU HB3 3.000 . 3.500 3.400 3.129 3.556 0.056 29 0 "[ . 1 . 2 . 3 . 4]" 1 244 1 21 LEU H 1 21 LEU QD 3.000 . 3.500 2.538 1.918 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 245 1 21 LEU H 1 22 ALA H 3.000 . 3.500 2.756 2.544 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 246 1 21 LEU HA 1 22 ALA H 3.000 . 3.500 3.563 3.524 3.578 0.078 36 0 "[ . 1 . 2 . 3 . 4]" 1 247 1 21 LEU HA 1 24 HIS H 4.000 . 5.000 4.325 3.549 5.007 0.007 20 0 "[ . 1 . 2 . 3 . 4]" 1 248 1 21 LEU HA 1 27 LEU QD 4.000 . 5.000 2.983 1.879 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 249 1 21 LEU HB2 1 22 ALA H 3.000 . 3.500 2.655 2.184 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 250 1 21 LEU HB2 1 91 GLY H 4.000 . 5.000 4.299 3.132 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 251 1 21 LEU HB2 1 91 GLY H 4.000 . 5.000 4.510 3.166 5.015 0.015 5 0 "[ . 1 . 2 . 3 . 4]" 1 252 1 21 LEU HB3 1 22 ALA H 3.000 . 3.500 3.064 2.121 3.529 0.029 7 0 "[ . 1 . 2 . 3 . 4]" 1 253 1 21 LEU HB3 1 91 GLY H 3.000 . 3.500 3.003 1.892 3.557 0.057 37 0 "[ . 1 . 2 . 3 . 4]" 1 254 1 21 LEU QD 1 22 ALA H 4.000 . 5.000 3.867 3.481 4.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 255 1 21 LEU QD 1 22 ALA H 4.000 . 5.000 3.726 3.414 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 256 1 21 LEU QD 1 23 ALA H 4.000 . 5.000 3.968 2.989 4.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 257 1 21 LEU QD 1 88 PHE H 4.000 . 5.000 3.804 3.343 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 258 1 21 LEU QD 1 91 GLY H 4.000 . 5.000 2.819 1.963 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 259 1 21 LEU QD 1 88 PHE H 4.000 . 5.000 4.082 3.421 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 260 1 21 LEU QD 1 88 PHE HB2 4.000 . 5.000 2.440 1.778 3.015 0.022 15 0 "[ . 1 . 2 . 3 . 4]" 1 261 1 21 LEU QD 1 88 PHE HB3 4.000 . 5.000 1.948 1.714 2.436 0.086 18 0 "[ . 1 . 2 . 3 . 4]" 1 262 1 21 LEU QD 1 88 PHE QD 3.000 . 3.500 2.207 1.798 2.972 0.002 17 0 "[ . 1 . 2 . 3 . 4]" 1 263 1 21 LEU QD 1 88 PHE QE 4.000 . 5.000 3.237 2.500 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 264 1 21 LEU QD 1 91 GLY H 4.000 . 5.000 2.873 1.964 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 265 1 21 LEU QD 1 92 ASP H 4.000 . 5.000 2.450 1.791 4.225 0.009 33 0 "[ . 1 . 2 . 3 . 4]" 1 266 1 21 LEU QD 1 93 THR H 4.000 . 5.000 3.094 2.544 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 267 1 21 LEU QD 1 93 THR MG 4.000 . 5.000 2.866 1.809 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 268 1 22 ALA H 1 22 ALA HA 3.000 . 3.500 2.924 2.808 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 269 1 22 ALA H 1 22 ALA MB 3.000 . 3.500 2.095 1.923 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 270 1 22 ALA H 1 23 ALA H 3.000 . 3.500 2.556 2.114 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 271 1 22 ALA H 1 91 GLY QA 4.000 . 5.000 4.090 3.262 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 272 1 22 ALA HA 1 24 HIS H 4.000 . 5.000 3.450 3.172 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 273 1 22 ALA MB 1 23 ALA H 3.000 . 3.500 3.023 2.088 3.526 0.026 22 0 "[ . 1 . 2 . 3 . 4]" 1 274 1 22 ALA MB 1 24 HIS H 4.000 . 5.000 4.596 4.210 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 275 1 23 ALA H 1 23 ALA HA 3.000 . 3.500 2.895 2.785 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 276 1 23 ALA H 1 23 ALA MB 3.000 . 3.500 2.123 1.916 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 277 1 23 ALA H 1 24 HIS H 3.000 . 3.500 2.678 1.938 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 278 1 23 ALA HA 1 24 HIS H 4.000 . 5.000 3.570 3.463 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 279 1 23 ALA MB 1 24 HIS H 3.000 . 3.500 2.295 1.922 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 280 1 24 HIS H 1 24 HIS HA 3.000 . 3.500 2.993 2.918 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 281 1 24 HIS H 1 24 HIS HB2 4.000 . 5.000 2.400 2.064 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 282 1 24 HIS H 1 24 HIS HB3 3.000 . 3.500 3.443 2.925 3.826 0.326 31 0 "[ . 1 . 2 . 3 . 4]" 1 283 1 24 HIS H 1 25 LYS H 4.000 . 5.000 4.270 2.536 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 284 1 24 HIS H 1 27 LEU HB3 4.000 . 5.000 4.084 3.320 5.571 0.571 8 1 "[ . + 1 . 2 . 3 . 4]" 1 285 1 24 HIS H 1 27 LEU QD 4.000 . 5.000 2.831 1.905 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 286 1 24 HIS HA 1 25 LYS H 3.000 . 3.500 2.635 2.218 3.537 0.037 37 0 "[ . 1 . 2 . 3 . 4]" 1 287 1 24 HIS HB3 1 26 TYR H 4.000 . 5.000 3.895 2.474 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 288 1 24 HIS HD2 1 26 TYR H 4.000 . 5.000 4.285 3.707 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 289 1 25 LYS H 1 90 ASN H 4.000 . 5.000 4.256 3.643 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 290 1 25 LYS HA 1 26 TYR H 4.000 . 5.000 3.570 3.526 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 291 1 25 LYS HA 1 90 ASN H 3.000 . 3.500 2.698 1.960 3.519 0.019 29 0 "[ . 1 . 2 . 3 . 4]" 1 292 1 25 LYS HA 1 90 ASN HA 4.000 . 5.000 2.697 1.982 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 293 1 25 LYS HA 1 90 ASN HB2 4.000 . 5.000 3.105 1.926 4.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 294 1 25 LYS HA 1 90 ASN HB3 4.000 . 5.000 4.255 1.916 5.019 0.019 7 0 "[ . 1 . 2 . 3 . 4]" 1 295 1 25 LYS HB2 1 26 TYR H 3.000 . 3.500 2.588 1.938 3.503 0.003 10 0 "[ . 1 . 2 . 3 . 4]" 1 296 1 25 LYS HB2 1 90 ASN H 3.000 . 3.500 3.214 1.934 4.052 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]" 1 297 1 25 LYS HB3 1 26 TYR H 3.000 . 3.500 2.365 1.916 3.542 0.042 37 0 "[ . 1 . 2 . 3 . 4]" 1 298 1 25 LYS QE 1 26 TYR H 4.000 . 5.000 4.531 3.542 5.018 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1 299 1 25 LYS QG 1 26 TYR H 4.000 . 5.000 3.791 1.941 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 300 1 25 LYS QG 1 26 TYR H 4.000 . 5.000 3.745 1.941 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 301 1 25 LYS QG 1 90 ASN H 4.000 . 5.000 3.949 2.905 4.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 302 1 26 TYR H 1 26 TYR HB2 4.000 . 5.000 2.364 2.009 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 303 1 26 TYR H 1 26 TYR HB3 4.000 . 5.000 3.549 3.382 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 304 1 26 TYR H 1 26 TYR QD 4.000 . 5.000 2.976 2.383 3.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 305 1 26 TYR H 1 26 TYR QE 4.000 . 5.000 4.497 4.231 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 306 1 26 TYR H 1 27 LEU HB2 4.000 . 5.000 4.705 4.119 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 307 1 26 TYR H 1 27 LEU QD 4.000 . 5.000 3.881 2.786 4.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 308 1 26 TYR H 1 59 GLU QG 4.000 . 5.000 4.666 3.238 5.908 0.908 28 4 "[ - 1 . 2 .* + 3* . 4]" 1 309 1 26 TYR H 1 60 ILE HA 4.000 . 5.000 3.544 2.393 4.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 310 1 26 TYR H 1 61 ARG H 4.000 . 5.000 4.794 4.134 5.073 0.073 32 0 "[ . 1 . 2 . 3 . 4]" 1 311 1 26 TYR H 1 87 PHE QE 4.000 . 5.000 4.947 4.571 5.043 0.043 36 0 "[ . 1 . 2 . 3 . 4]" 1 312 1 26 TYR H 1 90 ASN H 4.000 . 5.000 4.572 3.842 5.067 0.067 17 0 "[ . 1 . 2 . 3 . 4]" 1 313 1 26 TYR HA 1 27 LEU H 3.000 . 3.500 2.247 2.201 2.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 314 1 26 TYR QB 1 27 LEU H 4.000 . 5.000 3.553 2.801 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 315 1 26 TYR HB2 1 61 ARG H 3.000 . 3.500 3.370 3.115 4.059 0.559 12 1 "[ . 1 + . 2 . 3 . 4]" 1 316 1 26 TYR HB3 1 61 ARG H 4.000 . 5.000 3.828 2.970 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 317 1 26 TYR QD 1 27 LEU H 4.000 . 5.000 4.103 3.445 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 318 1 26 TYR QD 1 60 ILE H 4.000 . 5.000 4.469 3.510 5.190 0.190 10 0 "[ . 1 . 2 . 3 . 4]" 1 319 1 26 TYR QD 1 61 ARG H 4.000 . 5.000 5.003 4.691 5.126 0.126 10 0 "[ . 1 . 2 . 3 . 4]" 1 320 1 26 TYR QD 1 89 ARG HA 4.000 . 5.000 3.148 2.127 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 321 1 26 TYR QD 1 90 ASN H 4.000 . 5.000 4.403 3.296 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 322 1 26 TYR QD 1 116 THR MG 4.000 . 5.000 4.420 3.143 5.027 0.027 25 0 "[ . 1 . 2 . 3 . 4]" 1 323 1 26 TYR QE 1 89 ARG HA 4.000 . 5.000 4.523 3.423 5.028 0.028 7 0 "[ . 1 . 2 . 3 . 4]" 1 324 1 26 TYR QE 1 116 THR MG 4.000 . 5.000 3.455 2.200 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 325 1 27 LEU H 1 27 LEU HB2 4.000 . 5.000 2.519 2.257 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 326 1 27 LEU H 1 27 LEU HB3 4.000 . 5.000 3.266 2.680 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 327 1 27 LEU H 1 28 LEU H 4.000 . 5.000 4.249 4.029 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 328 1 27 LEU H 1 88 PHE H 3.000 . 3.500 3.403 2.991 3.535 0.035 4 0 "[ . 1 . 2 . 3 . 4]" 1 329 1 27 LEU H 1 88 PHE O 2.300 . 2.300 2.074 1.719 2.326 0.026 1 0 "[ . 1 . 2 . 3 . 4]" 1 330 1 27 LEU HA 1 28 LEU H 2.000 . 2.500 2.215 2.184 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 331 1 27 LEU HA 1 28 LEU H 3.000 . 3.500 2.157 2.132 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 332 1 27 LEU HA 1 63 ALA H 4.000 . 5.000 4.489 4.094 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 333 1 27 LEU HA 1 61 ARG H 3.000 . 3.500 3.218 2.756 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 334 1 27 LEU HB2 1 28 LEU H 4.000 . 5.000 4.529 4.293 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 335 1 27 LEU HB2 1 88 PHE H 4.000 . 5.000 4.439 3.471 5.067 0.067 9 0 "[ . 1 . 2 . 3 . 4]" 1 336 1 27 LEU HB2 1 88 PHE H 4.000 . 5.000 4.265 3.430 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 337 1 27 LEU HB2 1 90 ASN H 4.000 . 5.000 3.849 3.103 4.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 338 1 27 LEU HB3 1 28 LEU H 4.000 . 5.000 3.566 2.439 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 339 1 27 LEU HB3 1 88 PHE H 4.000 . 5.000 3.994 3.465 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 340 1 27 LEU HB3 1 88 PHE H 4.000 . 5.000 4.057 3.501 5.027 0.027 26 0 "[ . 1 . 2 . 3 . 4]" 1 341 1 27 LEU QD 1 28 LEU H 3.000 . 3.500 2.889 2.045 3.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 342 1 27 LEU QD 1 61 ARG H 3.000 . 3.500 3.327 2.930 3.537 0.037 40 0 "[ . 1 . 2 . 3 . 4]" 1 343 1 27 LEU QD 1 88 PHE H 4.000 . 5.000 4.646 4.175 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 344 1 27 LEU HG 1 29 VAL QG 4.000 . 5.000 4.521 2.939 5.073 0.073 11 0 "[ . 1 . 2 . 3 . 4]" 1 345 1 27 LEU N 1 88 PHE O 3.300 2.400 3.300 3.013 2.667 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 346 1 27 LEU O 1 88 PHE H 2.300 . 2.300 1.956 1.580 2.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 347 1 27 LEU O 1 88 PHE N 3.300 2.400 3.300 2.896 2.559 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 348 1 28 LEU H 1 28 LEU HB2 4.000 . 5.000 2.413 2.039 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 349 1 28 LEU H 1 28 LEU HB3 3.000 . 3.500 2.758 2.378 3.610 0.110 22 0 "[ . 1 . 2 . 3 . 4]" 1 350 1 28 LEU H 1 28 LEU QD 4.000 . 5.000 3.438 1.816 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 351 1 28 LEU H 1 29 VAL H 4.000 . 5.000 4.548 4.374 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 352 1 28 LEU H 1 61 ARG H 4.000 . 5.000 3.808 3.014 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 353 1 28 LEU H 1 61 ARG HA 4.000 . 5.000 4.980 4.603 5.117 0.117 22 0 "[ . 1 . 2 . 3 . 4]" 1 354 1 28 LEU H 1 61 ARG O 2.300 . 2.300 1.939 1.607 2.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 355 1 28 LEU H 1 62 LEU HA 3.000 . 3.500 2.646 2.005 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 356 1 28 LEU H 1 62 LEU HB2 4.000 . 5.000 4.275 3.541 5.028 0.028 22 0 "[ . 1 . 2 . 3 . 4]" 1 357 1 28 LEU H 1 63 ALA H 4.000 . 5.000 3.911 3.208 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 358 1 28 LEU H 1 85 ILE MG 4.000 . 5.000 4.574 3.996 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 359 1 28 LEU HA 1 29 VAL H 2.000 . 2.500 2.249 2.201 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 360 1 28 LEU HA 1 87 PHE HA 3.000 . 3.500 2.386 1.999 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 361 1 28 LEU HA 1 88 PHE H 3.000 . 3.500 3.105 2.667 3.512 0.012 15 0 "[ . 1 . 2 . 3 . 4]" 1 362 1 28 LEU HB2 1 29 VAL H 4.000 . 5.000 4.383 3.963 4.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 363 1 28 LEU HB2 1 63 ALA H 4.000 . 5.000 4.180 2.190 5.145 0.145 12 0 "[ . 1 . 2 . 3 . 4]" 1 364 1 28 LEU HB3 1 29 VAL H 4.000 . 5.000 3.861 2.883 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 365 1 28 LEU QD 1 29 VAL H 3.000 . 3.500 2.366 1.784 3.316 0.016 24 0 "[ . 1 . 2 . 3 . 4]" 1 366 1 28 LEU QD 1 63 ALA H . . 3.500 3.345 2.640 3.555 0.055 22 0 "[ . 1 . 2 . 3 . 4]" 1 367 1 28 LEU QD 1 86 LYS H 4.000 . 5.000 3.144 2.655 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 368 1 28 LEU QD 1 87 PHE H 4.000 . 5.000 3.720 3.264 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 369 1 28 LEU QD 1 87 PHE HA 4.000 . 5.000 1.999 1.877 2.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 370 1 28 LEU QD 1 88 PHE H 3.000 . 3.500 3.486 3.372 3.612 0.112 26 0 "[ . 1 . 2 . 3 . 4]" 1 371 1 28 LEU QD 1 108 ILE MD 4.000 . 5.000 3.637 3.005 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 372 1 28 LEU QD 1 111 TRP HZ3 4.000 . 5.000 4.232 2.408 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 373 1 28 LEU HG 1 29 VAL H 4.000 . 5.000 3.907 1.979 5.017 0.017 22 0 "[ . 1 . 2 . 3 . 4]" 1 374 1 28 LEU HG 1 63 ALA H 4.000 . 5.000 4.450 3.565 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 375 1 28 LEU N 1 61 ARG O 3.300 2.400 3.300 2.856 2.541 3.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 376 1 28 LEU O 1 63 ALA H 2.300 . 2.300 2.092 1.694 2.312 0.012 18 0 "[ . 1 . 2 . 3 . 4]" 1 377 1 28 LEU O 1 63 ALA N 3.300 2.400 3.300 2.567 2.482 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 378 1 29 VAL H 1 29 VAL HA 3.000 . 3.500 2.988 2.940 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 379 1 29 VAL H 1 29 VAL HB 3.000 . 3.500 2.802 2.500 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 380 1 29 VAL H 1 29 VAL QG 3.000 . 3.500 2.489 1.954 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 381 1 29 VAL H 1 30 GLU H 4.000 . 5.000 4.335 3.987 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 382 1 29 VAL H 1 86 LYS H 3.000 . 3.500 3.234 2.753 3.522 0.022 36 0 "[ . 1 . 2 . 3 . 4]" 1 383 1 29 VAL H 1 86 LYS O 2.300 . 2.300 2.085 1.664 2.334 0.034 12 0 "[ . 1 . 2 . 3 . 4]" 1 384 1 29 VAL H 1 87 PHE HA 3.000 . 3.500 3.322 2.888 3.540 0.040 5 0 "[ . 1 . 2 . 3 . 4]" 1 385 1 29 VAL HA 1 30 GLU H 2.000 . 2.500 2.231 2.186 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 386 1 29 VAL HA 1 63 ALA H 3.000 . 3.500 3.212 2.580 3.587 0.087 22 0 "[ . 1 . 2 . 3 . 4]" 1 387 1 29 VAL HA 1 63 ALA MB 4.000 . 5.000 2.409 2.021 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 388 1 29 VAL HA 1 64 LYS H 4.000 . 5.000 4.035 3.678 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 389 1 29 VAL HB 1 30 GLU H 4.000 . 5.000 4.161 3.830 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 390 1 29 VAL QG 1 30 GLU H . . 3.500 2.589 2.055 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 391 1 29 VAL QG 1 63 ALA H 4.000 . 5.000 4.078 3.646 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 392 1 29 VAL QG 1 63 ALA MB 4.000 . 5.000 2.358 1.902 3.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 393 1 29 VAL QG 1 64 LYS H 4.000 . 5.000 4.091 3.567 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 394 1 29 VAL QG 1 65 VAL QG 3.000 . 3.500 1.961 1.765 2.792 0.035 38 0 "[ . 1 . 2 . 3 . 4]" 1 395 1 29 VAL QG 1 86 LYS H 4.000 . 5.000 3.980 2.844 4.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 396 1 29 VAL QG 1 88 PHE H 4.000 . 5.000 3.769 3.300 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 397 1 29 VAL N 1 86 LYS O 3.300 2.400 3.300 3.032 2.540 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 398 1 29 VAL O 1 86 LYS H 2.300 . 2.300 1.989 1.575 2.329 0.029 35 0 "[ . 1 . 2 . 3 . 4]" 1 399 1 29 VAL O 1 86 LYS N 3.300 2.400 3.300 2.883 2.523 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 400 1 30 GLU H 1 30 GLU HA 3.000 . 3.500 3.000 2.989 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 401 1 30 GLU H 1 30 GLU HB2 3.000 . 3.500 3.038 2.642 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 402 1 30 GLU H 1 30 GLU HB3 3.000 . 3.500 2.425 2.291 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 403 1 30 GLU H 1 31 PHE H 4.000 . 5.000 4.425 4.201 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 404 1 30 GLU H 1 46 TYR QE 4.000 . 5.000 4.575 3.937 5.020 0.020 10 0 "[ . 1 . 2 . 3 . 4]" 1 405 1 30 GLU H 1 63 ALA H 4.000 . 5.000 4.339 4.061 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 406 1 30 GLU H 1 63 ALA O 2.300 . 2.300 2.319 2.157 2.404 0.104 18 0 "[ . 1 . 2 . 3 . 4]" 1 407 1 30 GLU H 1 64 LYS HA 2.000 . 2.500 1.956 1.841 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 408 1 30 GLU H 1 65 VAL H 3.000 . 3.500 3.514 3.337 3.604 0.104 18 0 "[ . 1 . 2 . 3 . 4]" 1 409 1 30 GLU H 1 65 VAL QG 3.000 . 3.500 3.359 2.939 3.542 0.042 18 0 "[ . 1 . 2 . 3 . 4]" 1 410 1 30 GLU HA 1 31 PHE H 3.000 . 3.500 2.251 2.199 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 411 1 30 GLU HA 1 85 ILE HA 3.000 . 3.500 2.067 1.909 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 412 1 30 GLU HA 1 86 LYS H 3.000 . 3.500 3.151 2.539 3.539 0.039 21 0 "[ . 1 . 2 . 3 . 4]" 1 413 1 30 GLU HB2 1 31 PHE H 4.000 . 5.000 4.218 3.905 4.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 414 1 30 GLU HB2 1 31 PHE H 4.000 . 5.000 4.112 3.777 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 415 1 30 GLU HB2 1 86 LYS H 4.000 . 5.000 4.346 3.513 5.026 0.026 30 0 "[ . 1 . 2 . 3 . 4]" 1 416 1 30 GLU HB3 1 31 PHE H 4.000 . 5.000 4.212 3.894 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 417 1 30 GLU HG2 1 31 PHE H 3.000 . 3.500 3.150 2.187 4.439 0.939 15 3 "[ . 1 + *2 . 3 - 4]" 1 418 1 30 GLU HG3 1 31 PHE H 3.000 . 3.500 3.041 2.100 4.443 0.943 19 2 "[ . 1 - +2 . 3 . 4]" 1 419 1 30 GLU HG3 1 84 THR H 3.000 . 3.500 3.476 2.790 4.029 0.529 15 1 "[ . 1 + 2 . 3 . 4]" 1 420 1 30 GLU HG3 1 85 ILE H 4.000 . 5.000 4.126 3.127 5.630 0.630 19 2 "[ . 1 - +2 . 3 . 4]" 1 421 1 30 GLU N 1 63 ALA O 3.300 2.400 3.300 3.052 2.663 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 422 1 30 GLU O 1 65 VAL H 2.300 . 2.300 1.810 1.568 2.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 423 1 30 GLU O 1 65 VAL N 3.300 2.400 3.300 2.607 2.501 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 424 1 31 PHE H 1 31 PHE HB2 3.000 . 3.500 2.272 2.156 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 425 1 31 PHE H 1 31 PHE HB3 3.000 . 3.500 3.556 3.485 3.657 0.157 18 0 "[ . 1 . 2 . 3 . 4]" 1 426 1 31 PHE H 1 31 PHE QD 3.000 . 3.500 2.457 1.937 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 427 1 31 PHE H 1 31 PHE QE 4.000 . 5.000 4.621 4.213 5.028 0.028 8 0 "[ . 1 . 2 . 3 . 4]" 1 428 1 31 PHE H 1 32 TYR H 4.000 . 5.000 4.344 4.047 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 429 1 31 PHE H 1 84 THR H 3.000 . 3.500 3.123 2.633 3.513 0.013 5 0 "[ . 1 . 2 . 3 . 4]" 1 430 1 31 PHE H 1 84 THR O 2.300 . 2.300 1.915 1.609 2.316 0.016 35 0 "[ . 1 . 2 . 3 . 4]" 1 431 1 31 PHE H 1 85 ILE HA 3.000 . 3.500 3.349 2.804 3.561 0.061 36 0 "[ . 1 . 2 . 3 . 4]" 1 432 1 31 PHE H 1 85 ILE MD 4.000 . 5.000 3.749 3.175 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 433 1 31 PHE H 1 86 LYS H 4.000 . 5.000 4.718 4.287 5.007 0.007 12 0 "[ . 1 . 2 . 3 . 4]" 1 434 1 31 PHE HA 1 32 TYR H 2.000 . 2.500 2.243 2.211 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 435 1 31 PHE HA 1 65 VAL H 4.000 . 5.000 3.115 2.834 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 436 1 31 PHE HA 1 65 VAL HB 4.000 . 5.000 2.496 1.907 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 437 1 31 PHE HA 1 65 VAL QG 4.000 . 5.000 2.889 1.806 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 438 1 31 PHE HA 1 84 THR H 4.000 . 5.000 4.320 4.097 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 439 1 31 PHE HB2 1 32 TYR H 4.000 . 5.000 4.471 4.338 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 440 1 31 PHE HB2 1 84 THR H 4.000 . 5.000 3.134 2.530 3.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 441 1 31 PHE HB2 1 84 THR HB 4.000 . 5.000 2.063 1.912 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 442 1 31 PHE HB3 1 32 TYR H 4.000 . 5.000 3.755 3.569 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 443 1 31 PHE HB3 1 84 THR H 3.000 . 3.500 3.285 2.389 3.725 0.225 39 0 "[ . 1 . 2 . 3 . 4]" 1 444 1 31 PHE HB3 1 84 THR HB 4.000 . 5.000 3.533 2.820 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 445 1 31 PHE QD 1 67 ALA MB 4.000 . 5.000 3.779 2.841 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 446 1 31 PHE QD 1 79 VAL QG 4.000 . 5.000 3.180 2.396 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 447 1 31 PHE QD 1 84 THR H 4.000 . 5.000 4.533 4.172 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 448 1 31 PHE QD 1 84 THR H 4.000 . 5.000 4.703 4.283 5.027 0.027 30 0 "[ . 1 . 2 . 3 . 4]" 1 449 1 31 PHE QE 1 73 LEU QD 4.000 . 5.000 2.997 1.951 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 450 1 31 PHE QE 1 74 ALA HA 4.000 . 5.000 3.245 2.123 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 451 1 31 PHE QE 1 79 VAL QG 4.000 . 5.000 3.820 3.181 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 452 1 31 PHE QE 1 73 LEU H 4.000 . 5.000 4.473 3.704 5.009 0.009 2 0 "[ . 1 . 2 . 3 . 4]" 1 453 1 31 PHE QE 1 86 LYS H 4.000 . 5.000 4.720 3.928 5.032 0.032 16 0 "[ . 1 . 2 . 3 . 4]" 1 454 1 31 PHE N 1 84 THR O 3.300 2.400 3.300 2.843 2.550 3.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 455 1 32 TYR H 1 32 TYR HA 3.000 . 3.500 2.977 2.925 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 456 1 32 TYR H 1 32 TYR HB3 4.000 . 5.000 3.116 2.882 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 457 1 32 TYR H 1 32 TYR QD 3.000 . 3.500 2.189 1.916 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 458 1 32 TYR H 1 33 ALA H 4.000 . 5.000 4.424 4.306 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 459 1 32 TYR H 1 65 VAL H 3.000 . 3.500 3.495 3.028 3.572 0.072 34 0 "[ . 1 . 2 . 3 . 4]" 1 460 1 32 TYR H 1 65 VAL QG 4.000 . 5.000 3.756 2.925 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 461 1 32 TYR H 1 65 VAL O 2.300 . 2.300 2.125 1.742 2.316 0.016 24 0 "[ . 1 . 2 . 3 . 4]" 1 462 1 32 TYR H 1 66 ASP HA 3.000 . 3.500 3.494 3.280 3.567 0.067 26 0 "[ . 1 . 2 . 3 . 4]" 1 463 1 32 TYR H 1 67 ALA H 3.000 . 3.500 2.811 2.462 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 464 1 32 TYR H 1 67 ALA MB 3.000 . 3.500 3.381 2.900 3.533 0.033 34 0 "[ . 1 . 2 . 3 . 4]" 1 465 1 32 TYR HA 1 33 ALA H 3.000 . 3.500 2.597 2.442 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 466 1 32 TYR HA 1 82 TYR QD 4.000 . 5.000 2.991 1.881 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 467 1 32 TYR HA 1 83 PRO HA 4.000 . 5.000 3.068 2.738 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 468 1 32 TYR HA 1 84 THR H 4.000 . 5.000 3.920 3.533 4.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 469 1 32 TYR HB2 1 33 ALA H 3.000 . 3.500 2.359 2.015 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 470 1 32 TYR HB3 1 33 ALA H 4.000 . 5.000 3.795 3.557 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 471 1 32 TYR QD 1 33 ALA H 3.000 . 3.500 2.842 2.435 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 472 1 32 TYR QD 1 65 VAL H 3.000 . 3.500 2.768 2.184 3.546 0.046 18 0 "[ . 1 . 2 . 3 . 4]" 1 473 1 32 TYR QD 1 67 ALA H 4.000 . 5.000 4.449 3.975 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 474 1 32 TYR QE 1 33 ALA H 4.000 . 5.000 4.892 4.360 5.076 0.076 4 0 "[ . 1 . 2 . 3 . 4]" 1 475 1 32 TYR QE 1 64 LYS H 4.000 . 5.000 4.402 4.117 5.000 0.000 34 0 "[ . 1 . 2 . 3 . 4]" 1 476 1 32 TYR QE 1 65 VAL H 3.000 . 3.500 2.724 1.941 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 477 1 32 TYR N 1 65 VAL O 3.300 2.400 3.300 3.099 2.699 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 478 1 32 TYR O 1 67 ALA H 2.300 . 2.300 1.821 1.645 2.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 479 1 32 TYR O 1 67 ALA N 3.300 2.400 3.300 2.669 2.507 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 480 1 33 ALA H 1 33 ALA HA 3.000 . 3.500 2.997 2.951 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 481 1 33 ALA H 1 33 ALA MB 3.000 . 3.500 2.449 2.284 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 482 1 33 ALA H 1 36 CYS H 3.000 . 3.500 3.536 3.330 3.622 0.122 34 0 "[ . 1 . 2 . 3 . 4]" 1 483 1 33 ALA H 1 36 CYS HB2 3.000 . 3.500 2.440 1.954 3.523 0.023 16 0 "[ . 1 . 2 . 3 . 4]" 1 484 1 33 ALA H 1 36 CYS HB3 4.000 . 5.000 2.864 1.975 3.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 485 1 33 ALA H 1 39 CYS H 4.000 . 5.000 4.500 4.351 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 486 1 33 ALA H 1 39 CYS QB 3.000 . 3.500 3.053 2.806 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 487 1 33 ALA H 1 68 THR MG 4.000 . 5.000 4.903 4.303 5.057 0.057 6 0 "[ . 1 . 2 . 3 . 4]" 1 488 1 33 ALA H 1 82 TYR QB . . 3.500 3.229 2.926 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 489 1 33 ALA H 1 82 TYR QD 3.000 . 3.500 3.459 2.971 3.583 0.083 39 0 "[ . 1 . 2 . 3 . 4]" 1 490 1 33 ALA HA 1 34 PRO HD2 2.000 . 2.500 2.505 2.418 2.552 0.052 27 0 "[ . 1 . 2 . 3 . 4]" 1 491 1 33 ALA HA 1 34 PRO HD3 2.000 . 2.500 2.390 2.341 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 492 1 33 ALA HA 1 34 PRO QG 4.000 . 5.000 4.087 4.041 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 493 1 33 ALA HA 1 67 ALA H 3.000 . 3.500 3.465 3.254 3.578 0.078 25 0 "[ . 1 . 2 . 3 . 4]" 1 494 1 33 ALA HA 1 68 THR H 3.000 . 3.500 2.689 2.596 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 495 1 33 ALA HA 1 68 THR MG 3.000 . 3.500 2.667 2.206 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 496 1 33 ALA MB 1 34 PRO HD2 4.000 . 5.000 2.058 1.921 2.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 497 1 33 ALA MB 1 34 PRO HD3 4.000 . 5.000 3.252 3.138 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 498 1 33 ALA MB 1 35 TRP HE1 4.000 . 5.000 2.242 1.986 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 499 1 33 ALA MB 1 35 TRP HH2 4.000 . 5.000 4.668 4.072 5.086 0.086 26 0 "[ . 1 . 2 . 3 . 4]" 1 500 1 33 ALA MB 1 35 TRP HZ2 4.000 . 5.000 3.363 2.871 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 501 1 33 ALA MB 1 36 CYS H 2.000 . 2.500 2.450 2.251 2.531 0.031 25 0 "[ . 1 . 2 . 3 . 4]" 1 502 1 33 ALA MB 1 36 CYS HB2 4.000 . 5.000 2.760 2.087 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 503 1 33 ALA MB 1 36 CYS HB3 4.000 . 5.000 3.443 1.928 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 504 1 33 ALA MB 1 67 ALA H 4.000 . 5.000 3.974 3.419 4.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 505 1 33 ALA MB 1 68 THR H 4.000 . 5.000 3.355 2.455 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 506 1 33 ALA MB 1 68 THR MG 3.000 . 3.500 2.155 1.745 2.945 0.055 26 0 "[ . 1 . 2 . 3 . 4]" 1 507 1 33 ALA MB 1 82 TYR QD 4.000 . 5.000 2.644 1.979 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 508 1 33 ALA MB 1 82 TYR QE 4.000 . 5.000 2.805 2.104 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 509 1 34 PRO HD2 1 68 THR H 4.000 . 5.000 3.795 3.428 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 510 1 34 PRO HD2 1 68 THR MG 4.000 . 5.000 1.960 1.778 2.900 0.022 11 0 "[ . 1 . 2 . 3 . 4]" 1 511 1 34 PRO HD3 1 68 THR H 3.000 . 3.500 3.163 3.031 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 512 1 34 PRO HD3 1 69 GLU H 4.000 . 5.000 4.070 3.689 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 513 1 34 PRO HD3 1 68 THR MG 4.000 . 5.000 2.627 1.777 4.197 0.023 6 0 "[ . 1 . 2 . 3 . 4]" 1 514 1 35 TRP HA 1 36 CYS H 3.000 . 3.500 3.352 3.161 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 515 1 35 TRP HE1 1 68 THR HA 4.000 . 5.000 4.612 2.965 5.076 0.076 26 0 "[ . 1 . 2 . 3 . 4]" 1 516 1 35 TRP HE1 1 68 THR MG 4.000 . 5.000 2.744 1.872 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 517 1 36 CYS CA 1 39 CYS SG 3.800 3.000 4.500 4.252 3.204 4.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 518 1 36 CYS CB 1 39 CYS SG 3.000 3.000 3.000 3.018 3.006 3.054 0.054 9 0 "[ . 1 . 2 . 3 . 4]" 1 519 1 36 CYS H 1 36 CYS HB2 3.000 . 3.500 2.591 2.107 3.527 0.027 27 0 "[ . 1 . 2 . 3 . 4]" 1 520 1 36 CYS H 1 36 CYS HB3 2.000 . 2.500 2.451 2.189 2.805 0.305 7 0 "[ . 1 . 2 . 3 . 4]" 1 521 1 36 CYS SG 1 39 CYS CA 3.700 2.900 4.500 3.960 3.330 4.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 522 1 36 CYS SG 1 39 CYS CB 3.000 3.000 3.000 3.019 3.005 3.039 0.039 16 0 "[ . 1 . 2 . 3 . 4]" 1 523 1 36 CYS SG 1 39 CYS SG 2.000 . 2.000 2.015 2.011 2.020 0.020 28 0 "[ . 1 . 2 . 3 . 4]" 1 524 1 37 GLY HA3 1 39 CYS H 4.000 . 5.000 4.232 3.502 5.918 0.918 9 1 "[ . +1 . 2 . 3 . 4]" 1 525 1 38 HIS HA 1 39 CYS H 3.000 . 3.500 3.198 2.285 3.511 0.011 28 0 "[ . 1 . 2 . 3 . 4]" 1 526 1 38 HIS HA 1 41 ALA H 3.000 . 3.500 3.508 3.160 3.582 0.082 7 0 "[ . 1 . 2 . 3 . 4]" 1 527 1 38 HIS HA 1 41 ALA MB 3.000 . 3.500 3.116 2.694 3.581 0.081 38 0 "[ . 1 . 2 . 3 . 4]" 1 528 1 38 HIS QB 1 39 CYS H 3.000 . 3.500 3.466 1.854 3.758 0.258 9 0 "[ . 1 . 2 . 3 . 4]" 1 529 1 39 CYS H 1 39 CYS HA 3.000 . 3.500 2.935 2.333 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 530 1 39 CYS H 1 39 CYS HB3 3.000 . 3.500 3.422 2.287 4.049 0.549 38 1 "[ . 1 . 2 . 3 . + 4]" 1 531 1 39 CYS H 1 40 LYS H 3.000 . 3.500 2.318 2.084 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 532 1 39 CYS H 1 40 LYS HA 4.000 . 5.000 5.007 4.827 5.257 0.257 38 0 "[ . 1 . 2 . 3 . 4]" 1 533 1 39 CYS H 1 40 LYS QB 4.000 . 5.000 4.326 3.984 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 534 1 39 CYS H 1 40 LYS QG 4.000 . 5.000 3.645 3.238 4.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 535 1 39 CYS H 1 40 LYS QG 4.000 . 5.000 3.497 3.150 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 536 1 39 CYS H 1 41 ALA H 4.000 . 5.000 3.910 3.445 4.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 537 1 39 CYS HA 1 40 LYS H 3.000 . 3.500 3.468 3.123 3.558 0.058 27 0 "[ . 1 . 2 . 3 . 4]" 1 538 1 39 CYS HA 1 40 LYS H 3.000 . 3.500 3.408 3.075 3.506 0.006 27 0 "[ . 1 . 2 . 3 . 4]" 1 539 1 39 CYS HA 1 43 ALA H 4.000 . 5.000 3.984 3.547 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 540 1 39 CYS QB 1 40 LYS H 3.000 . 3.500 2.951 2.272 3.604 0.104 38 0 "[ . 1 . 2 . 3 . 4]" 1 541 1 40 LYS H 1 40 LYS HA 3.000 . 3.500 2.919 2.847 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 542 1 40 LYS H 1 40 LYS QB 3.000 . 3.500 2.433 2.171 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 543 1 40 LYS H 1 40 LYS QD 3.000 . 3.500 3.152 1.979 3.597 0.097 25 0 "[ . 1 . 2 . 3 . 4]" 1 544 1 40 LYS H 1 40 LYS QG 3.000 . 3.500 2.101 1.870 3.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 545 1 40 LYS H 1 40 LYS QG 3.000 . 3.500 2.082 1.867 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 546 1 40 LYS H 1 41 ALA H 3.000 . 3.500 2.437 1.933 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 547 1 40 LYS H 1 42 LEU H 4.000 . 5.000 4.088 2.970 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 548 1 40 LYS HA 1 41 ALA H 3.000 . 3.500 3.469 3.149 3.546 0.046 38 0 "[ . 1 . 2 . 3 . 4]" 1 549 1 40 LYS HA 1 43 ALA H 4.000 . 5.000 3.251 2.798 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 550 1 40 LYS HA 1 43 ALA MB 4.000 . 5.000 2.277 1.843 4.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 551 1 40 LYS QB 1 43 ALA H 4.000 . 5.000 4.457 3.892 5.033 0.033 19 0 "[ . 1 . 2 . 3 . 4]" 1 552 1 40 LYS QG 1 43 ALA H 4.000 . 5.000 3.633 2.895 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 553 1 41 ALA H 1 42 LEU H 3.000 . 3.500 2.733 2.427 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 554 1 41 ALA HA 1 42 LEU H 4.000 . 5.000 3.515 3.463 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 555 1 41 ALA MB 1 43 ALA H 4.000 . 5.000 4.409 4.001 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 556 1 42 LEU HA 1 43 ALA H 3.000 . 3.500 3.190 2.823 3.501 0.001 24 0 "[ . 1 . 2 . 3 . 4]" 1 557 1 42 LEU HA 1 45 GLU H 4.000 . 5.000 3.255 2.935 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 558 1 42 LEU HA 1 46 TYR H 4.000 . 5.000 3.970 3.254 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 559 1 42 LEU HB2 1 43 ALA H 4.000 . 5.000 4.277 3.721 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 560 1 42 LEU HB3 1 45 GLU H 4.000 . 5.000 4.564 4.082 5.025 0.025 6 0 "[ . 1 . 2 . 3 . 4]" 1 561 1 42 LEU MD1 1 45 GLU H 4.000 . 5.000 4.489 3.770 5.376 0.376 15 0 "[ . 1 . 2 . 3 . 4]" 1 562 1 42 LEU MD1 1 103 ARG H 4.000 . 5.000 3.360 2.109 5.023 0.023 18 0 "[ . 1 . 2 . 3 . 4]" 1 563 1 42 LEU MD1 1 104 GLU H 4.000 . 5.000 3.401 2.611 5.012 0.012 23 0 "[ . 1 . 2 . 3 . 4]" 1 564 1 42 LEU HG 1 46 TYR H 3.000 . 3.500 3.174 2.283 3.544 0.044 23 0 "[ . 1 . 2 . 3 . 4]" 1 565 1 42 LEU HG 1 47 ALA H 4.000 . 5.000 4.399 3.976 5.013 0.013 31 0 "[ . 1 . 2 . 3 . 4]" 1 566 1 42 LEU HG 1 104 GLU H 4.000 . 5.000 4.302 3.638 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 567 1 43 ALA H 1 43 ALA HA 3.000 . 3.500 2.857 2.761 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 568 1 43 ALA H 1 43 ALA MB 2.000 . 2.500 1.948 1.914 2.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 569 1 43 ALA H 1 44 PRO HD2 3.000 . 3.500 2.186 1.915 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 570 1 43 ALA H 1 44 PRO HD3 3.000 . 3.500 2.767 2.131 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 571 1 43 ALA H 1 44 PRO QG 4.000 . 5.000 4.012 3.740 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 572 1 43 ALA H 1 45 GLU H 4.000 . 5.000 3.750 3.326 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 573 1 43 ALA H 1 46 TYR H 4.000 . 5.000 4.678 4.488 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 574 1 43 ALA H 1 46 TYR QB 4.000 . 5.000 4.756 4.124 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 575 1 43 ALA HA 1 46 TYR H 4.000 . 5.000 3.812 3.402 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 576 1 43 ALA HA 1 46 TYR QB 4.000 . 5.000 3.141 2.450 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 577 1 43 ALA HA 1 47 ALA H 4.000 . 5.000 4.546 4.070 5.022 0.022 8 0 "[ . 1 . 2 . 3 . 4]" 1 578 1 43 ALA MB 1 44 PRO HD2 3.000 . 3.500 2.743 2.440 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 579 1 43 ALA MB 1 44 PRO HD3 3.000 . 3.500 1.897 1.844 2.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 580 1 44 PRO HA 1 45 GLU H 3.000 . 3.500 3.376 3.165 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 581 1 44 PRO HA 1 46 TYR H 4.000 . 5.000 4.461 4.006 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 582 1 44 PRO HA 1 47 ALA H 3.000 . 3.500 3.541 3.417 3.676 0.176 27 0 "[ . 1 . 2 . 3 . 4]" 1 583 1 44 PRO HA 1 47 ALA MB 3.000 . 3.500 2.638 2.209 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 584 1 44 PRO HA 1 48 LYS H 4.000 . 5.000 4.309 3.637 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 585 1 44 PRO HB2 1 45 GLU H 3.000 . 3.500 3.250 2.215 3.682 0.182 39 0 "[ . 1 . 2 . 3 . 4]" 1 586 1 44 PRO HB2 1 46 TYR H 4.000 . 5.000 4.560 3.921 4.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 587 1 44 PRO HB3 1 45 GLU H 4.000 . 5.000 4.480 4.312 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 588 1 44 PRO HB3 1 47 ALA H 4.000 . 5.000 4.113 3.825 5.229 0.229 26 0 "[ . 1 . 2 . 3 . 4]" 1 589 1 44 PRO HD2 1 45 GLU H 3.000 . 3.500 2.673 2.137 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 590 1 44 PRO HD3 1 45 GLU H 4.000 . 5.000 3.862 3.544 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 591 1 44 PRO HD3 1 48 LYS H 4.000 . 5.000 5.006 4.769 5.169 0.169 39 0 "[ . 1 . 2 . 3 . 4]" 1 592 1 45 GLU H 1 45 GLU HA 3.000 . 3.500 2.971 2.907 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 593 1 45 GLU H 1 45 GLU HG3 3.000 . 3.500 3.090 2.304 3.764 0.264 12 0 "[ . 1 . 2 . 3 . 4]" 1 594 1 45 GLU H 1 46 TYR H 3.000 . 3.500 2.132 1.917 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 595 1 45 GLU H 1 46 TYR QB 4.000 . 5.000 3.680 3.471 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 596 1 45 GLU H 1 46 TYR QD 4.000 . 5.000 5.127 5.035 5.392 0.392 37 0 "[ . 1 . 2 . 3 . 4]" 1 597 1 45 GLU H 1 47 ALA H 4.000 . 5.000 3.458 2.740 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 598 1 45 GLU H 1 47 ALA MB 4.000 . 5.000 4.303 3.725 5.043 0.043 35 0 "[ . 1 . 2 . 3 . 4]" 1 599 1 45 GLU H 1 48 LYS H 4.000 . 5.000 4.530 3.970 4.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 600 1 45 GLU H 1 105 ALA H 4.000 . 5.000 5.066 4.975 5.145 0.145 12 0 "[ . 1 . 2 . 3 . 4]" 1 601 1 45 GLU HA 1 48 LYS H 3.000 . 3.500 3.477 3.235 3.580 0.080 26 0 "[ . 1 . 2 . 3 . 4]" 1 602 1 45 GLU HA 1 105 ALA H 3.000 . 3.500 2.752 2.454 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 603 1 45 GLU QB 1 46 TYR H 3.000 . 3.500 2.497 2.147 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 604 1 45 GLU HB2 1 103 ARG H 4.000 . 5.000 3.790 2.498 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 605 1 45 GLU HB2 1 106 ASP H 4.000 . 5.000 3.043 2.654 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 606 1 45 GLU HB2 1 105 ALA H 3.000 . 3.500 3.701 3.537 3.939 0.439 23 0 "[ . 1 . 2 . 3 . 4]" 1 607 1 45 GLU HG2 1 104 GLU HA 4.000 . 5.000 2.643 1.679 4.312 0.121 6 0 "[ . 1 . 2 . 3 . 4]" 1 608 1 45 GLU HG2 1 105 ALA H 4.000 . 5.000 3.351 1.942 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 609 1 45 GLU HG3 1 46 TYR H 4.000 . 5.000 4.503 3.788 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 610 1 45 GLU HG3 1 104 GLU HA 4.000 . 5.000 3.466 2.445 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 611 1 45 GLU HG3 1 105 ALA H 4.000 . 5.000 3.737 3.026 4.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 612 1 46 TYR H 1 46 TYR HA 3.000 . 3.500 2.902 2.828 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 613 1 46 TYR H 1 46 TYR QB 3.000 . 3.500 1.977 1.885 2.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 614 1 46 TYR H 1 47 ALA H 3.000 . 3.500 2.515 2.311 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 615 1 46 TYR H 1 48 LYS H 4.000 . 5.000 4.013 3.754 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 616 1 46 TYR H 1 108 ILE MD 4.000 . 5.000 4.523 3.351 5.046 0.046 34 0 "[ . 1 . 2 . 3 . 4]" 1 617 1 46 TYR HA 1 47 ALA H 4.000 . 5.000 3.493 3.450 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 618 1 46 TYR HA 1 49 ALA MB 4.000 . 5.000 2.968 2.541 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 619 1 46 TYR HA 1 108 ILE MD 3.000 . 3.500 2.827 1.814 3.522 0.022 31 0 "[ . 1 . 2 . 3 . 4]" 1 620 1 46 TYR QB 1 47 ALA H 3.000 . 3.500 2.968 1.883 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 621 1 46 TYR QD 1 47 ALA H 3.000 . 3.500 3.343 2.903 3.735 0.235 6 0 "[ . 1 . 2 . 3 . 4]" 1 622 1 46 TYR QD 1 62 LEU QD 4.000 . 5.000 2.979 1.831 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 623 1 46 TYR QD 1 63 ALA H 4.000 . 5.000 5.046 4.805 5.156 0.156 39 0 "[ . 1 . 2 . 3 . 4]" 1 624 1 46 TYR QD 1 108 ILE MD 3.000 . 3.500 2.887 1.913 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 625 1 46 TYR QE 1 62 LEU QD 4.000 . 5.000 2.907 2.047 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 626 1 46 TYR QE 1 63 ALA H 3.000 . 3.500 2.880 2.577 3.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 627 1 46 TYR QE 1 108 ILE MD 4.000 . 5.000 4.409 2.549 5.034 0.034 19 0 "[ . 1 . 2 . 3 . 4]" 1 628 1 47 ALA H 1 47 ALA HA 3.000 . 3.500 2.936 2.793 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 629 1 47 ALA H 1 47 ALA MB 3.000 . 3.500 2.127 1.949 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 630 1 47 ALA H 1 48 LYS H 3.000 . 3.500 2.381 2.156 2.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 631 1 47 ALA H 1 49 ALA H 4.000 . 5.000 4.007 3.758 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 632 1 47 ALA HA 1 48 LYS H 3.000 . 3.500 3.496 3.431 3.551 0.051 39 0 "[ . 1 . 2 . 3 . 4]" 1 633 1 47 ALA HA 1 48 LYS H 3.000 . 3.500 2.787 2.739 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 634 1 47 ALA HA 1 50 ALA MB 4.000 . 5.000 3.329 2.120 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 635 1 47 ALA MB 1 48 LYS H 3.000 . 3.500 2.826 2.500 3.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 636 1 48 LYS H 1 48 LYS HB2 3.000 . 3.500 2.164 1.952 3.577 0.077 26 0 "[ . 1 . 2 . 3 . 4]" 1 637 1 48 LYS H 1 48 LYS HB3 3.000 . 3.500 3.172 2.218 3.561 0.061 40 0 "[ . 1 . 2 . 3 . 4]" 1 638 1 48 LYS H 1 48 LYS QD 3.000 . 3.500 3.279 2.487 3.607 0.107 5 0 "[ . 1 . 2 . 3 . 4]" 1 639 1 48 LYS H 1 48 LYS QE 4.000 . 5.000 4.666 3.956 5.030 0.030 1 0 "[ . 1 . 2 . 3 . 4]" 1 640 1 48 LYS H 1 48 LYS QG 4.000 . 5.000 3.365 1.919 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 641 1 48 LYS H 1 49 ALA H 3.000 . 3.500 2.437 2.168 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 642 1 48 LYS H 1 49 ALA MB 4.000 . 5.000 3.941 3.751 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 643 1 48 LYS H 1 105 ALA MB 3.000 . 3.500 3.258 2.606 3.546 0.046 34 0 "[ . 1 . 2 . 3 . 4]" 1 644 1 48 LYS HA 1 51 GLY H 3.000 . 3.500 3.386 3.092 3.584 0.084 34 0 "[ . 1 . 2 . 3 . 4]" 1 645 1 48 LYS HB3 1 106 ASP H 4.000 . 5.000 4.561 4.178 5.211 0.211 14 0 "[ . 1 . 2 . 3 . 4]" 1 646 1 48 LYS HE2 1 52 LYS H 4.000 . 5.000 4.410 3.152 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 647 1 49 ALA H 1 50 ALA H 3.000 . 3.500 2.649 2.116 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 648 1 49 ALA H 1 51 GLY H 4.000 . 5.000 4.053 3.357 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 649 1 49 ALA HA 1 50 ALA H 3.000 . 3.500 3.525 3.458 3.574 0.074 10 0 "[ . 1 . 2 . 3 . 4]" 1 650 1 49 ALA HA 1 51 GLY H 4.000 . 5.000 4.008 3.695 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 651 1 49 ALA HA 1 52 LYS H 3.000 . 3.500 3.439 3.234 3.593 0.093 34 0 "[ . 1 . 2 . 3 . 4]" 1 652 1 49 ALA HA 1 52 LYS QB 3.000 . 3.500 3.124 2.345 3.519 0.019 12 0 "[ . 1 . 2 . 3 . 4]" 1 653 1 49 ALA HA 1 105 ALA MB 4.000 . 5.000 2.802 2.305 3.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 654 1 49 ALA HA 1 109 VAL QG 3.000 . 3.500 2.686 2.148 3.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 655 1 49 ALA MB 1 51 GLY H 4.000 . 5.000 4.355 4.084 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 656 1 49 ALA MB 1 62 LEU QD 4.000 . 5.000 2.285 1.722 3.495 0.078 15 0 "[ . 1 . 2 . 3 . 4]" 1 657 1 49 ALA MB 1 105 ALA H 4.000 . 5.000 4.724 4.165 5.009 0.009 20 0 "[ . 1 . 2 . 3 . 4]" 1 658 1 49 ALA MB 1 105 ALA HA 4.000 . 5.000 2.519 1.975 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 659 1 49 ALA MB 1 108 ILE MD 4.000 . 5.000 3.380 2.257 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 660 1 49 ALA MB 1 108 ILE MG 4.000 . 5.000 2.349 1.825 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 661 1 49 ALA MB 1 109 VAL H 3.000 . 3.500 3.140 2.168 3.520 0.020 20 0 "[ . 1 . 2 . 3 . 4]" 1 662 1 49 ALA MB 1 109 VAL QG 4.000 . 5.000 2.269 1.797 3.161 0.003 36 0 "[ . 1 . 2 . 3 . 4]" 1 663 1 50 ALA H 1 51 GLY H 3.000 . 3.500 2.553 2.337 2.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 664 1 50 ALA HA 1 53 LEU HB3 4.000 . 5.000 4.793 3.493 5.988 0.988 34 4 "[ . -1 . * 2 . 3 +. *4]" 1 665 1 50 ALA HA 1 53 LEU QD 4.000 . 5.000 2.322 1.785 4.178 0.015 7 0 "[ . 1 . 2 . 3 . 4]" 1 666 1 50 ALA HA 1 62 LEU QD 4.000 . 5.000 2.370 1.902 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 667 1 50 ALA MB 1 51 GLY H 3.000 . 3.500 2.821 2.347 3.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 668 1 51 GLY H 1 51 GLY HA2 3.000 . 3.500 2.921 2.884 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 669 1 51 GLY H 1 51 GLY HA3 3.000 . 3.500 2.369 2.347 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 670 1 51 GLY H 1 52 LYS H 2.000 . 2.500 2.425 2.271 2.545 0.045 34 0 "[ . 1 . 2 . 3 . 4]" 1 671 1 51 GLY H 1 62 LEU QD 4.000 . 5.000 4.427 4.051 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 672 1 51 GLY HA2 1 52 LYS H 3.000 . 3.500 3.486 3.347 3.528 0.028 28 0 "[ . 1 . 2 . 3 . 4]" 1 673 1 51 GLY HA2 1 54 LYS H 3.000 . 3.500 3.142 2.828 3.523 0.023 17 0 "[ . 1 . 2 . 3 . 4]" 1 674 1 51 GLY HA2 1 55 ALA H 4.000 . 5.000 4.892 3.513 5.076 0.076 13 0 "[ . 1 . 2 . 3 . 4]" 1 675 1 51 GLY HA3 1 52 LYS H 3.000 . 3.500 3.040 2.925 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 676 1 51 GLY HA3 1 54 LYS H 3.000 . 3.500 3.340 3.098 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 677 1 51 GLY HA3 1 55 ALA H 4.000 . 5.000 4.055 3.490 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 678 1 52 LYS H 1 52 LYS HA 3.000 . 3.500 2.857 2.807 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 679 1 52 LYS H 1 52 LYS HG2 3.000 . 3.500 2.672 1.949 3.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 680 1 52 LYS H 1 52 LYS HG3 3.000 . 3.500 2.975 2.052 3.581 0.081 34 0 "[ . 1 . 2 . 3 . 4]" 1 681 1 52 LYS H 1 53 LEU H 3.000 . 3.500 2.715 2.427 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 682 1 52 LYS H 1 53 LEU QD 4.000 . 5.000 3.602 2.913 4.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 683 1 52 LYS H 1 53 LEU HG 4.000 . 5.000 3.831 3.321 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 684 1 52 LYS H 1 54 LYS H 4.000 . 5.000 4.100 3.677 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 685 1 52 LYS H 1 109 VAL QG 4.000 . 5.000 4.248 3.528 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 686 1 53 LEU HA 1 54 LYS H 3.000 . 3.500 3.461 3.184 3.571 0.071 30 0 "[ . 1 . 2 . 3 . 4]" 1 687 1 53 LEU HA 1 56 GLU H 3.000 . 3.500 3.244 2.621 3.644 0.144 19 0 "[ . 1 . 2 . 3 . 4]" 1 688 1 53 LEU HA 1 56 GLU QB 4.000 . 5.000 3.039 1.979 5.043 0.043 25 0 "[ . 1 . 2 . 3 . 4]" 1 689 1 53 LEU HA 1 56 GLU QG 4.000 . 5.000 3.382 1.925 5.788 0.788 25 1 "[ . 1 . 2 + 3 . 4]" 1 690 1 53 LEU HA 1 57 GLY H 4.000 . 5.000 3.425 1.933 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 691 1 53 LEU HB2 1 58 SER H 4.000 . 5.000 3.532 2.261 5.764 0.764 34 1 "[ . 1 . 2 . 3 +. 4]" 1 692 1 53 LEU HB2 1 59 GLU H 4.000 . 5.000 4.861 4.278 5.478 0.478 36 0 "[ . 1 . 2 . 3 . 4]" 1 693 1 53 LEU QD 1 54 LYS H 4.000 . 5.000 3.096 1.926 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 694 1 53 LEU QD 1 56 GLU H 4.000 . 5.000 4.333 2.228 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 695 1 53 LEU QD 1 58 SER H 4.000 . 5.000 3.290 2.453 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 696 1 53 LEU QD 1 59 GLU H 4.000 . 5.000 3.468 2.483 4.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 697 1 53 LEU QD 1 60 ILE H 4.000 . 5.000 3.363 2.074 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 698 1 53 LEU QD 1 60 ILE H 3.000 . 3.500 2.590 1.967 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 699 1 53 LEU HG 1 54 LYS H 3.000 . 3.500 2.803 1.906 3.657 0.157 34 0 "[ . 1 . 2 . 3 . 4]" 1 700 1 54 LYS H 1 54 LYS HA 3.000 . 3.500 2.762 2.371 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 701 1 54 LYS H 1 54 LYS QB 3.000 . 3.500 2.169 1.928 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 702 1 54 LYS H 1 54 LYS HG2 4.000 . 5.000 4.230 2.158 5.044 0.044 39 0 "[ . 1 . 2 . 3 . 4]" 1 703 1 54 LYS H 1 54 LYS HG3 4.000 . 5.000 4.157 3.130 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 704 1 54 LYS H 1 55 ALA H 3.000 . 3.500 2.852 2.626 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 705 1 54 LYS HA 1 55 ALA H 3.000 . 3.500 2.717 2.219 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 706 1 54 LYS HA 1 56 GLU H 3.000 . 3.500 3.168 2.847 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 707 1 54 LYS HA 1 57 GLY H 3.000 . 3.500 2.446 2.276 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 708 1 54 LYS QB 1 55 ALA H 4.000 . 5.000 2.722 1.945 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 709 1 54 LYS HG2 1 55 ALA H 4.000 . 5.000 4.391 2.347 5.020 0.020 2 0 "[ . 1 . 2 . 3 . 4]" 1 710 1 54 LYS HG3 1 55 ALA H 4.000 . 5.000 4.685 2.462 5.036 0.036 35 0 "[ . 1 . 2 . 3 . 4]" 1 711 1 55 ALA H 1 55 ALA MB 3.000 . 3.500 2.191 1.916 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 712 1 55 ALA H 1 56 GLU H 3.000 . 3.500 2.561 2.019 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 713 1 55 ALA H 1 56 GLU QG 4.000 . 5.000 4.355 3.086 5.748 0.748 25 1 "[ . 1 . 2 + 3 . 4]" 1 714 1 55 ALA HA 1 56 GLU H 3.000 . 3.500 3.378 2.965 3.549 0.049 22 0 "[ . 1 . 2 . 3 . 4]" 1 715 1 55 ALA MB 1 56 GLU H 3.000 . 3.500 3.013 2.487 3.566 0.066 21 0 "[ . 1 . 2 . 3 . 4]" 1 716 1 55 ALA MB 1 57 GLY H 4.000 . 5.000 4.568 3.285 5.071 0.071 24 0 "[ . 1 . 2 . 3 . 4]" 1 717 1 56 GLU H 1 56 GLU HA 3.000 . 3.500 2.900 2.342 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 718 1 56 GLU H 1 56 GLU QG 3.000 . 3.500 2.726 1.902 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 719 1 56 GLU H 1 57 GLY H 3.000 . 3.500 2.506 1.932 3.604 0.104 11 0 "[ . 1 . 2 . 3 . 4]" 1 720 1 56 GLU H 1 58 SER H 4.000 . 5.000 4.066 3.058 4.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 721 1 56 GLU HA 1 57 GLY H 3.000 . 3.500 3.420 2.481 3.577 0.077 38 0 "[ . 1 . 2 . 3 . 4]" 1 722 1 56 GLU HA 1 58 SER H 4.000 . 5.000 4.686 3.178 5.045 0.045 4 0 "[ . 1 . 2 . 3 . 4]" 1 723 1 56 GLU HB3 1 58 SER H 4.000 . 5.000 3.994 2.529 5.606 0.606 11 2 "[ . 1+ . 2 -. 3 . 4]" 1 724 1 56 GLU QG 1 57 GLY H 4.000 . 5.000 3.940 1.997 5.013 0.013 25 0 "[ . 1 . 2 . 3 . 4]" 1 725 1 56 GLU QG 1 58 SER H 4.000 . 5.000 4.611 1.927 5.563 0.563 25 1 "[ . 1 . 2 + 3 . 4]" 1 726 1 57 GLY H 1 57 GLY HA3 3.000 . 3.500 2.884 2.351 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 727 1 57 GLY H 1 58 SER H 3.000 . 3.500 2.446 1.932 3.663 0.163 11 0 "[ . 1 . 2 . 3 . 4]" 1 728 1 57 GLY HA2 1 58 SER H 3.000 . 3.500 3.117 2.741 3.593 0.093 13 0 "[ . 1 . 2 . 3 . 4]" 1 729 1 58 SER H 1 58 SER HA 3.000 . 3.500 2.842 2.348 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 730 1 58 SER H 1 58 SER HB2 3.000 . 3.500 2.451 1.945 3.503 0.003 18 0 "[ . 1 . 2 . 3 . 4]" 1 731 1 58 SER H 1 58 SER HB3 3.000 . 3.500 3.186 2.244 3.581 0.081 35 0 "[ . 1 . 2 . 3 . 4]" 1 732 1 58 SER H 1 59 GLU H 4.000 . 5.000 4.451 3.034 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 733 1 58 SER H 1 60 ILE H 4.000 . 5.000 4.868 3.645 5.072 0.072 30 0 "[ . 1 . 2 . 3 . 4]" 1 734 1 58 SER H 1 60 ILE MD 4.000 . 5.000 4.804 3.608 5.066 0.066 23 0 "[ . 1 . 2 . 3 . 4]" 1 735 1 58 SER HA 1 59 GLU H 2.000 . 2.500 2.495 2.253 2.750 0.250 35 0 "[ . 1 . 2 . 3 . 4]" 1 736 1 58 SER HB2 1 59 GLU H 4.000 . 5.000 3.910 2.475 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 737 1 58 SER HB3 1 59 GLU H 4.000 . 5.000 3.091 1.983 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 738 1 58 SER HB3 1 60 ILE H 4.000 . 5.000 2.866 2.147 4.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 739 1 59 GLU H 1 59 GLU HA 3.000 . 3.500 2.962 2.388 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 740 1 59 GLU H 1 59 GLU QB 3.000 . 3.500 2.672 1.954 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 741 1 59 GLU H 1 59 GLU HB3 3.000 . 3.500 2.758 1.988 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 742 1 59 GLU H 1 59 GLU QG 3.000 . 3.500 2.011 1.588 4.070 0.570 15 1 "[ . 1 + 2 . 3 . 4]" 1 743 1 59 GLU H 1 60 ILE H 3.000 . 3.500 2.640 1.982 3.609 0.109 15 0 "[ . 1 . 2 . 3 . 4]" 1 744 1 59 GLU H 1 60 ILE MD 4.000 . 5.000 3.826 2.061 5.074 0.074 11 0 "[ . 1 . 2 . 3 . 4]" 1 745 1 59 GLU HA 1 60 ILE H 3.000 . 3.500 3.116 2.425 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 746 1 59 GLU QG 1 60 ILE H 3.000 . 3.500 3.431 2.346 4.344 0.844 15 4 "[ - 1 + * . 3* . 4]" 1 747 1 60 ILE H 1 60 ILE HA 3.000 . 3.500 2.954 2.805 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 748 1 60 ILE H 1 60 ILE MD 3.000 . 3.500 2.952 1.798 3.645 0.145 15 0 "[ . 1 . 2 . 3 . 4]" 1 749 1 60 ILE H 1 60 ILE HG12 3.000 . 3.500 2.801 1.862 4.139 0.639 2 4 "[ + . 1 . ** 2 .- 3 . 4]" 1 750 1 60 ILE H 1 61 ARG H 4.000 . 5.000 4.573 4.414 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 751 1 60 ILE HA 1 61 ARG H 2.000 . 2.500 2.391 2.223 2.601 0.101 28 0 "[ . 1 . 2 . 3 . 4]" 1 752 1 60 ILE HB 1 61 ARG H 3.000 . 3.500 3.157 2.249 3.599 0.099 32 0 "[ . 1 . 2 . 3 . 4]" 1 753 1 60 ILE MD 1 61 ARG H 3.000 . 3.500 3.297 2.832 3.501 0.001 24 0 "[ . 1 . 2 . 3 . 4]" 1 754 1 60 ILE MG 1 61 ARG H 4.000 . 5.000 3.211 1.813 4.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 755 1 61 ARG H 1 61 ARG QB 3.000 . 3.500 2.522 2.166 2.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 756 1 61 ARG H 1 87 PHE QE 4.000 . 5.000 4.723 4.095 5.024 0.024 31 0 "[ . 1 . 2 . 3 . 4]" 1 757 1 61 ARG HA 1 62 LEU H 2.000 . 2.500 2.302 2.197 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 758 1 62 LEU H 1 62 LEU HA 3.000 . 3.500 2.987 2.934 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 759 1 62 LEU HA 1 63 ALA H 2.000 . 2.500 2.376 2.249 2.565 0.065 39 0 "[ . 1 . 2 . 3 . 4]" 1 760 1 62 LEU HB2 1 63 ALA H 4.000 . 5.000 3.465 2.250 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 761 1 62 LEU HB3 1 63 ALA H 4.000 . 5.000 3.023 2.524 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 762 1 62 LEU QD 1 63 ALA H 4.000 . 5.000 3.652 2.981 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 763 1 62 LEU QD 1 108 ILE MG 4.000 . 5.000 2.288 1.778 3.703 0.022 15 0 "[ . 1 . 2 . 3 . 4]" 1 764 1 63 ALA H 1 63 ALA MB 3.000 . 3.500 2.636 2.509 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 765 1 63 ALA HA 1 64 LYS H 3.000 . 3.500 2.453 2.327 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 766 1 63 ALA MB 1 64 LYS H 3.000 . 3.500 2.596 2.230 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 767 1 64 LYS HA 1 65 VAL H 2.000 . 2.500 2.394 2.301 2.513 0.013 33 0 "[ . 1 . 2 . 3 . 4]" 1 768 1 64 LYS HB3 1 65 VAL H 3.000 . 3.500 3.405 2.521 4.161 0.661 15 7 "[ * 1 * + 2 ** 3 .*- 4]" 1 769 1 65 VAL H 1 65 VAL HA 3.000 . 3.500 2.996 2.981 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 770 1 65 VAL H 1 65 VAL HB 3.000 . 3.500 2.704 2.492 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 771 1 65 VAL H 1 65 VAL QG 3.000 . 3.500 2.695 1.892 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 772 1 65 VAL HA 1 66 ASP H 2.000 . 2.500 2.304 2.222 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 773 1 65 VAL QG 1 66 ASP H 3.000 . 3.500 2.155 1.899 2.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 774 1 65 VAL QG 1 67 ALA H 3.000 . 3.500 3.450 3.091 3.519 0.019 32 0 "[ . 1 . 2 . 3 . 4]" 1 775 1 65 VAL QG 1 67 ALA MB 4.000 . 5.000 3.909 3.433 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 776 1 65 VAL QG 1 69 GLU H 4.000 . 5.000 4.614 4.394 4.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 777 1 65 VAL QG 1 71 SER H 4.000 . 5.000 4.710 3.391 4.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 778 1 65 VAL QG 1 73 LEU H 4.000 . 5.000 4.452 4.043 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 779 1 66 ASP H 1 67 ALA H 4.000 . 5.000 4.097 4.012 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 780 1 66 ASP H 1 69 GLU HB2 4.000 . 5.000 4.815 4.253 5.027 0.027 37 0 "[ . 1 . 2 . 3 . 4]" 1 781 1 66 ASP H 1 69 GLU HB3 4.000 . 5.000 3.880 3.346 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 782 1 66 ASP HA 1 67 ALA H 2.000 . 2.500 2.304 2.264 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 783 1 66 ASP HA 1 68 THR H 3.000 . 3.500 3.455 3.352 3.509 0.009 8 0 "[ . 1 . 2 . 3 . 4]" 1 784 1 66 ASP HA 1 69 GLU H 4.000 . 5.000 4.253 3.902 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 785 1 66 ASP HB2 1 67 ALA H 4.000 . 5.000 4.609 4.463 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 786 1 66 ASP HB2 1 69 GLU H 4.000 . 5.000 3.626 2.897 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 787 1 66 ASP HB3 1 67 ALA H 4.000 . 5.000 4.103 4.034 4.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 788 1 67 ALA H 1 67 ALA HA 3.000 . 3.500 2.785 2.766 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 789 1 67 ALA H 1 67 ALA MB 3.000 . 3.500 2.012 1.917 2.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 790 1 67 ALA H 1 68 THR H 3.000 . 3.500 2.853 2.769 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 791 1 67 ALA H 1 68 THR MG 4.000 . 5.000 4.170 3.732 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 792 1 67 ALA H 1 69 GLU H 4.000 . 5.000 4.236 4.090 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 793 1 67 ALA H 1 74 ALA MB 4.000 . 5.000 4.948 4.728 5.046 0.046 31 0 "[ . 1 . 2 . 3 . 4]" 1 794 1 67 ALA HA 1 68 THR H 3.000 . 3.500 3.509 3.488 3.524 0.024 8 0 "[ . 1 . 2 . 3 . 4]" 1 795 1 67 ALA HA 1 69 GLU H 4.000 . 5.000 3.869 3.508 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 796 1 67 ALA MB 1 68 THR H 3.000 . 3.500 2.791 2.650 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 797 1 67 ALA MB 1 69 GLU H 4.000 . 5.000 4.349 4.200 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 798 1 67 ALA MB 1 82 TYR QE 3.000 . 3.500 2.310 1.818 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 799 1 68 THR H 1 68 THR MG 3.000 . 3.500 2.257 1.897 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 800 1 68 THR H 1 69 GLU H 3.000 . 3.500 2.520 2.320 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 801 1 68 THR H 1 69 GLU HB2 4.000 . 5.000 4.186 3.877 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 802 1 68 THR H 1 69 GLU HB3 4.000 . 5.000 4.924 4.428 5.726 0.726 15 1 "[ . 1 + 2 . 3 . 4]" 1 803 1 68 THR HA 1 69 GLU H 3.000 . 3.500 3.374 3.021 3.518 0.018 19 0 "[ . 1 . 2 . 3 . 4]" 1 804 1 68 THR MG 1 69 GLU H 4.000 . 5.000 3.639 2.104 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 805 1 69 GLU H 1 69 GLU HA 3.000 . 3.500 2.988 2.929 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 806 1 69 GLU H 1 69 GLU HB2 3.000 . 3.500 2.613 2.295 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 807 1 69 GLU H 1 69 GLU HB3 3.000 . 3.500 2.822 2.432 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 808 1 69 GLU H 1 69 GLU HG2 4.000 . 5.000 4.506 4.226 4.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 809 1 69 GLU H 1 69 GLU HG3 4.000 . 5.000 4.604 4.084 4.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 810 1 69 GLU H 1 70 GLU QB 4.000 . 5.000 4.403 3.638 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 811 1 69 GLU H 1 70 GLU QG 4.000 . 5.000 4.489 3.352 5.163 0.163 8 0 "[ . 1 . 2 . 3 . 4]" 1 812 1 69 GLU H 1 71 SER H 4.000 . 5.000 3.792 3.198 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 813 1 69 GLU HA 1 71 SER H 4.000 . 5.000 4.230 3.683 5.085 0.085 11 0 "[ . 1 . 2 . 3 . 4]" 1 814 1 70 GLU HA 1 71 SER H 3.000 . 3.500 2.924 2.569 3.576 0.076 36 0 "[ . 1 . 2 . 3 . 4]" 1 815 1 70 GLU QB 1 71 SER H 4.000 . 5.000 3.666 1.942 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 816 1 70 GLU QB 1 71 SER H 4.000 . 5.000 3.652 1.942 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 817 1 70 GLU QB 1 73 LEU H 3.000 . 3.500 2.400 1.987 3.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 818 1 70 GLU QB 1 73 LEU H 4.000 . 5.000 3.587 2.584 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 819 1 71 SER H 1 71 SER HA 3.000 . 3.500 2.777 2.354 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 820 1 71 SER H 1 71 SER QB 3.000 . 3.500 2.308 1.929 3.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 821 1 71 SER H 1 72 ASP H 3.000 . 3.500 2.739 2.472 3.644 0.144 11 0 "[ . 1 . 2 . 3 . 4]" 1 822 1 71 SER H 1 73 LEU H 4.000 . 5.000 4.478 3.788 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 823 1 71 SER H 1 74 ALA MB 4.000 . 5.000 4.528 3.169 5.020 0.020 5 0 "[ . 1 . 2 . 3 . 4]" 1 824 1 71 SER HA 1 72 ASP H 3.000 . 3.500 3.440 3.140 3.566 0.066 11 0 "[ . 1 . 2 . 3 . 4]" 1 825 1 71 SER HA 1 73 LEU H 4.000 . 5.000 3.826 3.312 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 826 1 71 SER HA 1 74 ALA H 3.000 . 3.500 3.062 2.710 3.576 0.076 24 0 "[ . 1 . 2 . 3 . 4]" 1 827 1 71 SER HA 1 74 ALA MB 3.000 . 3.500 2.327 1.910 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 828 1 71 SER HA 1 75 GLN H 4.000 . 5.000 3.689 2.686 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 829 1 71 SER QB 1 72 ASP H 3.000 . 3.500 3.189 2.080 3.588 0.088 1 0 "[ . 1 . 2 . 3 . 4]" 1 830 1 72 ASP H 1 72 ASP HA 3.000 . 3.500 2.828 2.770 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 831 1 72 ASP H 1 72 ASP HB2 3.000 . 3.500 2.190 1.944 3.511 0.011 11 0 "[ . 1 . 2 . 3 . 4]" 1 832 1 72 ASP H 1 72 ASP HB3 3.000 . 3.500 3.184 1.958 3.514 0.014 21 0 "[ . 1 . 2 . 3 . 4]" 1 833 1 72 ASP H 1 73 LEU H 3.000 . 3.500 2.720 1.935 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 834 1 72 ASP H 1 74 ALA H 4.000 . 5.000 4.158 2.992 4.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 835 1 72 ASP H 1 74 ALA MB 4.000 . 5.000 4.698 3.748 5.015 0.015 39 0 "[ . 1 . 2 . 3 . 4]" 1 836 1 72 ASP HA 1 73 LEU H 3.000 . 3.500 3.523 3.482 3.569 0.069 21 0 "[ . 1 . 2 . 3 . 4]" 1 837 1 72 ASP HA 1 75 GLN H 4.000 . 5.000 4.042 3.279 4.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 838 1 72 ASP HA 1 75 GLN QB 4.000 . 5.000 3.213 2.280 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 839 1 72 ASP HA 1 76 GLN H 4.000 . 5.000 4.606 3.762 5.036 0.036 4 0 "[ . 1 . 2 . 3 . 4]" 1 840 1 72 ASP HB2 1 73 LEU H 3.000 . 3.500 3.153 2.491 3.529 0.029 36 0 "[ . 1 . 2 . 3 . 4]" 1 841 1 72 ASP HB3 1 73 LEU H 3.000 . 3.500 3.201 2.519 3.511 0.011 33 0 "[ . 1 . 2 . 3 . 4]" 1 842 1 73 LEU H 1 73 LEU HA 3.000 . 3.500 2.945 2.864 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 843 1 73 LEU H 1 73 LEU QD 4.000 . 5.000 2.469 1.848 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 844 1 73 LEU H 1 74 ALA H 3.000 . 3.500 2.354 1.941 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 845 1 73 LEU H 1 75 GLN H 4.000 . 5.000 3.976 3.684 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 846 1 73 LEU HA 1 74 ALA H 3.000 . 3.500 3.536 3.460 3.570 0.070 35 0 "[ . 1 . 2 . 3 . 4]" 1 847 1 73 LEU HA 1 76 GLN H 3.000 . 3.500 3.511 3.361 3.564 0.064 40 0 "[ . 1 . 2 . 3 . 4]" 1 848 1 73 LEU HA 1 76 GLN HB2 4.000 . 5.000 2.667 2.246 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 849 1 73 LEU HA 1 76 GLN HB3 4.000 . 5.000 3.721 2.676 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 850 1 73 LEU HB2 1 75 GLN H 4.000 . 5.000 4.756 4.386 5.119 0.119 2 0 "[ . 1 . 2 . 3 . 4]" 1 851 1 73 LEU QD 1 77 TYR QE 4.000 . 5.000 3.945 2.405 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 852 1 74 ALA H 1 75 GLN H 3.000 . 3.500 2.657 2.342 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 853 1 74 ALA HA 1 75 GLN H 4.000 . 5.000 3.560 3.502 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 854 1 74 ALA HA 1 77 TYR H 3.000 . 3.500 3.528 3.471 3.592 0.092 14 0 "[ . 1 . 2 . 3 . 4]" 1 855 1 74 ALA HA 1 79 VAL HB 4.000 . 5.000 4.277 2.452 5.034 0.034 39 0 "[ . 1 . 2 . 3 . 4]" 1 856 1 74 ALA HA 1 79 VAL QG 4.000 . 5.000 2.404 2.033 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 857 1 74 ALA MB 1 75 GLN H 3.000 . 3.500 2.522 2.150 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 858 1 74 ALA MB 1 76 GLN H 4.000 . 5.000 4.299 4.021 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 859 1 74 ALA MB 1 77 TYR H 4.000 . 5.000 4.613 4.515 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 860 1 74 ALA MB 1 78 GLY H 4.000 . 5.000 4.527 4.101 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 861 1 74 ALA MB 1 79 VAL QG 4.000 . 5.000 2.217 1.758 3.187 0.042 26 0 "[ . 1 . 2 . 3 . 4]" 1 862 1 75 GLN H 1 75 GLN HA 3.000 . 3.500 2.866 2.820 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 863 1 75 GLN H 1 75 GLN QB 3.000 . 3.500 2.139 1.931 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 864 1 75 GLN H 1 75 GLN HG2 4.000 . 5.000 3.984 2.214 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 865 1 75 GLN H 1 75 GLN HG3 4.000 . 5.000 3.732 2.044 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 866 1 75 GLN H 1 76 GLN H 3.000 . 3.500 2.619 2.418 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 867 1 75 GLN H 1 77 TYR H 4.000 . 5.000 4.282 3.987 4.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 868 1 75 GLN H 1 78 GLY H 4.000 . 5.000 4.777 4.490 5.048 0.048 2 0 "[ . 1 . 2 . 3 . 4]" 1 869 1 75 GLN HA 1 76 GLN H 4.000 . 5.000 3.519 3.485 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 870 1 75 GLN HA 1 78 GLY H 3.000 . 3.500 3.416 3.034 3.540 0.040 34 0 "[ . 1 . 2 . 3 . 4]" 1 871 1 75 GLN QB 1 76 GLN H 3.000 . 3.500 2.789 2.509 3.568 0.068 3 0 "[ . 1 . 2 . 3 . 4]" 1 872 1 75 GLN HG2 1 76 GLN H 4.000 . 5.000 4.552 3.602 5.008 0.008 33 0 "[ . 1 . 2 . 3 . 4]" 1 873 1 75 GLN HG3 1 76 GLN H 4.000 . 5.000 4.563 1.922 5.024 0.024 7 0 "[ . 1 . 2 . 3 . 4]" 1 874 1 76 GLN H 1 76 GLN HA 3.000 . 3.500 2.869 2.828 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 875 1 76 GLN H 1 76 GLN HB2 3.000 . 3.500 2.034 1.937 2.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 876 1 76 GLN H 1 76 GLN HB3 3.000 . 3.500 3.127 2.755 3.503 0.003 20 0 "[ . 1 . 2 . 3 . 4]" 1 877 1 76 GLN H 1 76 GLN HG3 4.000 . 5.000 3.748 2.596 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 878 1 76 GLN H 1 77 TYR H 3.000 . 3.500 2.639 2.419 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 879 1 76 GLN H 1 77 TYR QD 4.000 . 5.000 4.429 3.703 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 880 1 76 GLN H 1 78 GLY H 4.000 . 5.000 4.104 3.731 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 881 1 76 GLN HA 1 77 TYR H 3.000 . 3.500 3.542 3.511 3.573 0.073 4 0 "[ . 1 . 2 . 3 . 4]" 1 882 1 76 GLN HA 1 77 TYR H 3.000 . 3.500 3.443 3.399 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 883 1 76 GLN HB2 1 78 GLY H 4.000 . 5.000 5.110 4.597 5.556 0.556 32 2 "[ . 1 . 2 - . 3 + . 4]" 1 884 1 76 GLN HB2 1 77 TYR H 3.000 . 3.500 3.202 2.630 3.514 0.014 33 0 "[ . 1 . 2 . 3 . 4]" 1 885 1 76 GLN HB3 1 77 TYR H 3.000 . 3.500 2.941 2.348 3.524 0.024 20 0 "[ . 1 . 2 . 3 . 4]" 1 886 1 76 GLN HG3 1 77 TYR H 4.000 . 5.000 4.923 4.262 5.275 0.275 37 0 "[ . 1 . 2 . 3 . 4]" 1 887 1 77 TYR H 1 77 TYR HA 3.000 . 3.500 2.944 2.869 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 888 1 77 TYR H 1 77 TYR HB2 3.000 . 3.500 2.200 2.016 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 889 1 77 TYR H 1 77 TYR HB3 3.000 . 3.500 3.498 3.364 3.580 0.080 35 0 "[ . 1 . 2 . 3 . 4]" 1 890 1 77 TYR H 1 77 TYR QD 3.000 . 3.500 2.829 2.163 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 891 1 77 TYR H 1 77 TYR QE 4.000 . 5.000 4.710 4.413 5.007 0.007 9 0 "[ . 1 . 2 . 3 . 4]" 1 892 1 77 TYR H 1 78 GLY H 3.000 . 3.500 2.413 2.182 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 893 1 77 TYR H 1 79 VAL H 4.000 . 5.000 4.457 3.789 5.049 0.049 14 0 "[ . 1 . 2 . 3 . 4]" 1 894 1 77 TYR H 1 79 VAL QG 4.000 . 5.000 3.819 3.518 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 895 1 77 TYR HA 1 78 GLY H 3.000 . 3.500 3.538 3.435 3.580 0.080 32 0 "[ . 1 . 2 . 3 . 4]" 1 896 1 77 TYR HB2 1 78 GLY H 4.000 . 5.000 2.658 2.182 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 897 1 77 TYR QD 1 78 GLY H 4.000 . 5.000 4.311 3.865 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 898 1 78 GLY H 1 78 GLY HA2 3.000 . 3.500 2.510 2.346 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 899 1 78 GLY H 1 78 GLY HA3 3.000 . 3.500 2.967 2.858 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 900 1 78 GLY H 1 79 VAL H 3.000 . 3.500 2.515 1.924 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 901 1 78 GLY H 1 79 VAL QG 4.000 . 5.000 2.939 2.420 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 902 1 78 GLY QA 1 79 VAL H 4.000 . 5.000 2.609 2.400 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 903 1 79 VAL H 1 80 ARG H 4.000 . 5.000 4.249 3.504 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 904 1 79 VAL HA 1 80 ARG H 2.000 . 2.500 2.322 2.199 2.508 0.008 37 0 "[ . 1 . 2 . 3 . 4]" 1 905 1 79 VAL HA 1 81 GLY H 4.000 . 5.000 3.904 3.300 4.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 906 1 79 VAL HA 1 84 THR MG 4.000 . 5.000 3.063 2.112 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 907 1 79 VAL QG 1 80 ARG H 3.000 . 3.500 3.118 2.227 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 908 1 79 VAL QG 1 81 GLY H 3.000 . 3.500 2.763 2.030 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 909 1 79 VAL QG 1 82 TYR QE 3.000 . 3.500 2.128 1.772 3.334 0.028 3 0 "[ . 1 . 2 . 3 . 4]" 1 910 1 79 VAL QG 1 84 THR H 3.000 . 3.500 3.419 3.231 3.509 0.009 13 0 "[ . 1 . 2 . 3 . 4]" 1 911 1 79 VAL QG 1 84 THR HB 3.000 . 3.500 2.522 1.802 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 912 1 79 VAL QG 1 84 THR MG . . 3.500 2.289 1.704 2.979 0.096 31 0 "[ . 1 . 2 . 3 . 4]" 1 913 1 80 ARG H 1 80 ARG HB2 3.000 . 3.500 2.681 2.002 4.013 0.513 30 1 "[ . 1 . 2 . + . 4]" 1 914 1 80 ARG H 1 80 ARG QD 4.000 . 5.000 4.281 2.310 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 915 1 80 ARG H 1 80 ARG QG 3.000 . 3.500 3.041 1.896 3.795 0.295 22 0 "[ . 1 . 2 . 3 . 4]" 1 916 1 80 ARG H 1 81 GLY H 3.000 . 3.500 2.533 1.934 3.545 0.045 22 0 "[ . 1 . 2 . 3 . 4]" 1 917 1 80 ARG H 1 84 THR MG 4.000 . 5.000 3.888 2.387 5.005 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1 918 1 80 ARG HA 1 81 GLY H 4.000 . 5.000 3.116 2.642 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 919 1 80 ARG HB2 1 81 GLY H 4.000 . 5.000 4.014 2.775 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 920 1 81 GLY H 1 82 TYR H 4.000 . 5.000 3.976 2.033 4.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 921 1 81 GLY QA 1 82 TYR H . . 2.500 2.249 2.159 2.578 0.078 30 0 "[ . 1 . 2 . 3 . 4]" 1 922 1 82 TYR H 1 82 TYR QB . . 3.500 2.554 2.365 3.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 923 1 82 TYR H 1 82 TYR QD 3.000 . 3.500 2.965 1.956 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 924 1 82 TYR H 1 82 TYR QE 4.000 . 5.000 4.374 3.998 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 925 1 82 TYR H 1 83 PRO HA 4.000 . 5.000 4.636 4.550 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 926 1 82 TYR HA 1 83 PRO HA 3.000 . 3.500 2.165 1.981 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 927 1 82 TYR HA 1 84 THR H 3.000 . 3.500 2.564 2.068 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 928 1 82 TYR QB 1 83 PRO HA 4.000 . 5.000 2.020 1.874 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 929 1 82 TYR QB 1 84 THR H 4.000 . 5.000 3.526 2.399 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 930 1 82 TYR QD 1 84 THR H 3.000 . 3.500 3.124 2.237 3.530 0.030 39 0 "[ . 1 . 2 . 3 . 4]" 1 931 1 83 PRO HA 1 84 THR H 2.000 . 2.500 2.256 2.219 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 932 1 83 PRO HB2 1 84 THR H 4.000 . 5.000 3.466 3.027 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 933 1 84 THR H 1 84 THR HA 3.000 . 3.500 2.987 2.959 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 934 1 84 THR H 1 84 THR HB 3.000 . 3.500 2.651 2.327 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 935 1 84 THR H 1 85 ILE H 4.000 . 5.000 4.205 3.768 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 936 1 84 THR HA 1 85 ILE H 2.000 . 2.500 2.265 2.216 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 937 1 84 THR HB 1 85 ILE H 4.000 . 5.000 4.308 3.960 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 938 1 84 THR MG 1 85 ILE H 3.000 . 3.500 3.287 2.557 3.515 0.015 31 0 "[ . 1 . 2 . 3 . 4]" 1 939 1 85 ILE H 1 85 ILE HB 3.000 . 3.500 2.437 2.315 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 940 1 85 ILE H 1 85 ILE MD 3.000 . 3.500 2.163 1.852 2.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 941 1 85 ILE H 1 85 ILE HG12 4.000 . 5.000 3.714 1.924 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 942 1 85 ILE H 1 99 TYR QB 4.000 . 5.000 4.340 3.584 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 943 1 85 ILE HA 1 86 LYS H 3.000 . 3.500 2.250 2.200 2.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 944 1 85 ILE MG 1 86 LYS H 3.000 . 3.500 2.587 2.094 3.546 0.046 23 0 "[ . 1 . 2 . 3 . 4]" 1 945 1 85 ILE MG 1 99 TYR QB 4.000 . 5.000 2.171 1.653 3.311 0.147 34 0 "[ . 1 . 2 . 3 . 4]" 1 946 1 86 LYS H 1 86 LYS HA 3.000 . 3.500 2.988 2.943 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 947 1 86 LYS H 1 86 LYS HG3 4.000 . 5.000 3.791 2.462 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 948 1 86 LYS H 1 87 PHE H 4.000 . 5.000 3.925 3.851 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 949 1 86 LYS HA 1 87 PHE H 3.000 . 3.500 2.366 2.238 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 950 1 86 LYS HA 1 98 GLU HA 3.000 . 3.500 2.624 2.109 3.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 951 1 86 LYS HA 1 99 TYR H 4.000 . 5.000 3.319 2.462 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 952 1 86 LYS QB 1 87 PHE H 3.000 . 3.500 2.705 2.374 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 953 1 86 LYS QB 1 97 LYS H 4.000 . 5.000 4.540 3.700 5.291 0.291 16 0 "[ . 1 . 2 . 3 . 4]" 1 954 1 86 LYS QB 1 87 PHE H 3.000 . 3.500 2.957 2.379 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 955 1 86 LYS QD 1 87 PHE H 4.000 . 5.000 4.495 3.503 5.003 0.003 21 0 "[ . 1 . 2 . 3 . 4]" 1 956 1 87 PHE H 1 87 PHE HB2 3.000 . 3.500 3.001 2.721 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 957 1 87 PHE H 1 87 PHE HB3 3.000 . 3.500 2.467 2.256 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 958 1 87 PHE H 1 97 LYS H 3.000 . 3.500 3.316 2.722 3.529 0.029 27 0 "[ . 1 . 2 . 3 . 4]" 1 959 1 87 PHE H 1 97 LYS HB2 4.000 . 5.000 3.906 2.964 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 960 1 87 PHE H 1 98 GLU HA 3.000 . 3.500 3.450 3.175 3.540 0.040 34 0 "[ . 1 . 2 . 3 . 4]" 1 961 1 87 PHE H 1 99 TYR H 4.000 . 5.000 4.594 3.646 5.011 0.011 10 0 "[ . 1 . 2 . 3 . 4]" 1 962 1 87 PHE HA 1 88 PHE H 3.000 . 3.500 2.217 2.196 2.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 963 1 87 PHE HB2 1 88 PHE H 4.000 . 5.000 4.318 4.216 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 964 1 87 PHE HB2 1 97 LYS H 4.000 . 5.000 4.877 4.327 5.040 0.040 21 0 "[ . 1 . 2 . 3 . 4]" 1 965 1 87 PHE HB3 1 88 PHE H 4.000 . 5.000 4.305 4.049 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 966 1 87 PHE HB3 1 97 LYS H 4.000 . 5.000 3.240 2.569 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 967 1 87 PHE QD 1 97 LYS H 4.000 . 5.000 4.104 2.752 4.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 968 1 87 PHE QD 1 111 TRP HZ3 4.000 . 5.000 2.615 1.988 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 969 1 87 PHE QE 1 89 ARG H 4.000 . 5.000 4.944 4.425 5.057 0.057 29 0 "[ . 1 . 2 . 3 . 4]" 1 970 1 88 PHE H 1 88 PHE HA 3.000 . 3.500 2.994 2.978 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 971 1 88 PHE H 1 88 PHE HB2 3.000 . 3.500 2.285 2.182 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 972 1 88 PHE H 1 88 PHE HB3 3.000 . 3.500 3.567 3.510 3.643 0.143 20 0 "[ . 1 . 2 . 3 . 4]" 1 973 1 88 PHE H 1 88 PHE QD 3.000 . 3.500 2.869 2.084 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 974 1 88 PHE H 1 88 PHE QE 4.000 . 5.000 4.932 4.359 5.048 0.048 25 0 "[ . 1 . 2 . 3 . 4]" 1 975 1 88 PHE H 1 89 ARG H 4.000 . 5.000 4.498 4.163 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 976 1 88 PHE HA 1 89 ARG H 2.000 . 2.500 2.332 2.214 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 977 1 88 PHE HB2 1 89 ARG H 4.000 . 5.000 4.136 3.786 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 978 1 88 PHE HB3 1 89 ARG H 4.000 . 5.000 3.045 2.480 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 979 1 88 PHE QD 1 89 ARG H 4.000 . 5.000 3.682 3.228 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 980 1 89 ARG H 1 89 ARG HB2 3.000 . 3.500 2.968 2.037 3.919 0.419 14 0 "[ . 1 . 2 . 3 . 4]" 1 981 1 89 ARG H 1 89 ARG HB3 4.000 . 5.000 2.828 2.387 3.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 982 1 89 ARG H 1 89 ARG QD 4.000 . 5.000 4.360 2.746 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 983 1 89 ARG H 1 89 ARG QG 4.000 . 5.000 3.633 1.882 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 984 1 89 ARG H 1 90 ASN H 4.000 . 5.000 4.200 3.810 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 985 1 89 ARG H 1 92 ASP H 4.000 . 5.000 3.551 2.608 4.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 986 1 89 ARG H 1 96 PRO HA 4.000 . 5.000 4.562 3.810 5.007 0.007 17 0 "[ . 1 . 2 . 3 . 4]" 1 987 1 89 ARG HA 1 90 ASN H 2.000 . 2.500 2.272 2.183 2.650 0.150 18 0 "[ . 1 . 2 . 3 . 4]" 1 988 1 89 ARG HA 1 91 GLY H 4.000 . 5.000 4.438 3.593 5.017 0.017 27 0 "[ . 1 . 2 . 3 . 4]" 1 989 1 89 ARG HB3 1 90 ASN H 4.000 . 5.000 4.136 2.398 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 990 1 90 ASN H 1 90 ASN HA 3.000 . 3.500 2.413 2.351 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 991 1 90 ASN H 1 90 ASN HB2 3.000 . 3.500 3.008 2.012 3.809 0.309 37 0 "[ . 1 . 2 . 3 . 4]" 1 992 1 90 ASN H 1 90 ASN HB3 3.000 . 3.500 3.358 2.316 3.637 0.137 38 0 "[ . 1 . 2 . 3 . 4]" 1 993 1 90 ASN H 1 91 GLY H 3.000 . 3.500 3.126 2.805 3.663 0.163 12 0 "[ . 1 . 2 . 3 . 4]" 1 994 1 90 ASN HA 1 91 GLY H 3.000 . 3.500 2.741 2.399 3.519 0.019 18 0 "[ . 1 . 2 . 3 . 4]" 1 995 1 90 ASN HB2 1 91 GLY H 4.000 . 5.000 4.611 3.973 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 996 1 90 ASN HB3 1 91 GLY H 4.000 . 5.000 4.322 3.912 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 997 1 91 GLY H 1 92 ASP H 3.000 . 3.500 3.245 1.948 3.522 0.022 21 0 "[ . 1 . 2 . 3 . 4]" 1 998 1 91 GLY QA 1 92 ASP H 3.000 . 3.500 2.382 2.181 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 999 1 92 ASP H 1 92 ASP HA 3.000 . 3.500 2.929 2.371 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1000 1 92 ASP H 1 92 ASP HB2 3.000 . 3.500 2.522 1.943 3.525 0.025 28 0 "[ . 1 . 2 . 3 . 4]" 1 1001 1 92 ASP H 1 92 ASP HB3 3.000 . 3.500 2.938 1.989 3.556 0.056 32 0 "[ . 1 . 2 . 3 . 4]" 1 1002 1 92 ASP H 1 93 THR H 3.000 . 3.500 2.539 1.952 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1003 1 92 ASP HA 1 93 THR H 4.000 . 5.000 3.445 2.398 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1004 1 92 ASP HB2 1 93 THR H 4.000 . 5.000 3.440 2.102 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1005 1 92 ASP HB3 1 93 THR H 4.000 . 5.000 2.863 1.949 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1006 1 93 THR H 1 93 THR MG 3.000 . 3.500 2.590 1.905 3.586 0.086 32 0 "[ . 1 . 2 . 3 . 4]" 1 1007 1 93 THR H 1 94 ALA HA 4.000 . 5.000 4.849 4.388 5.056 0.056 17 0 "[ . 1 . 2 . 3 . 4]" 1 1008 1 94 ALA H 1 94 ALA HA 3.000 . 3.500 2.822 2.347 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1009 1 94 ALA H 1 94 ALA MB 3.000 . 3.500 2.536 1.918 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1010 1 94 ALA H 1 95 SER H 3.000 . 3.500 2.698 1.940 3.645 0.145 29 0 "[ . 1 . 2 . 3 . 4]" 1 1011 1 94 ALA HA 1 95 SER H 3.000 . 3.500 3.411 2.255 3.574 0.074 10 0 "[ . 1 . 2 . 3 . 4]" 1 1012 1 94 ALA HA 1 95 SER H 3.000 . 3.500 3.287 2.253 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1013 1 94 ALA MB 1 95 SER H 3.000 . 3.500 2.461 1.897 3.603 0.103 38 0 "[ . 1 . 2 . 3 . 4]" 1 1014 1 95 SER H 1 95 SER HA 3.000 . 3.500 2.917 2.364 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1015 1 95 SER H 1 95 SER HB2 4.000 . 5.000 2.984 2.324 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1016 1 95 SER H 1 95 SER HB3 3.000 . 3.500 3.134 2.301 4.056 0.556 3 1 "[ + . 1 . 2 . 3 . 4]" 1 1017 1 95 SER H 1 96 PRO HD3 4.000 . 5.000 2.995 1.929 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1018 1 95 SER HA 1 96 PRO HD2 3.000 . 3.500 2.243 2.017 2.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1019 1 95 SER HA 1 96 PRO HD3 3.000 . 3.500 2.940 2.537 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1020 1 96 PRO HA 1 97 LYS H 2.000 . 2.500 2.439 2.259 2.529 0.029 26 0 "[ . 1 . 2 . 3 . 4]" 1 1021 1 96 PRO HB2 1 97 LYS H 3.000 . 3.500 2.752 2.499 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1022 1 96 PRO HB2 1 98 GLU H 4.000 . 5.000 4.578 4.118 5.015 0.015 29 0 "[ . 1 . 2 . 3 . 4]" 1 1023 1 96 PRO HB3 1 97 LYS H 4.000 . 5.000 3.584 3.455 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1024 1 96 PRO QG 1 97 LYS H 4.000 . 5.000 4.245 4.074 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1025 1 97 LYS H 1 97 LYS HA 3.000 . 3.500 2.979 2.926 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1026 1 97 LYS H 1 97 LYS HB2 3.000 . 3.500 2.213 2.007 3.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1027 1 97 LYS H 1 97 LYS HB3 3.000 . 3.500 3.430 2.168 3.621 0.121 21 0 "[ . 1 . 2 . 3 . 4]" 1 1028 1 97 LYS H 1 97 LYS QG 3.000 . 3.500 3.150 2.531 3.678 0.178 33 0 "[ . 1 . 2 . 3 . 4]" 1 1029 1 97 LYS H 1 98 GLU H 4.000 . 5.000 4.471 4.054 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1030 1 97 LYS HA 1 98 GLU H 2.000 . 2.500 2.383 2.205 2.580 0.080 12 0 "[ . 1 . 2 . 3 . 4]" 1 1031 1 97 LYS HB2 1 98 GLU H 3.000 . 3.500 3.217 1.936 3.958 0.458 38 0 "[ . 1 . 2 . 3 . 4]" 1 1032 1 97 LYS HB3 1 98 GLU H 4.000 . 5.000 3.077 2.255 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1033 1 97 LYS QG 1 98 GLU H 4.000 . 5.000 3.874 1.914 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1034 1 98 GLU H 1 99 TYR H 4.000 . 5.000 4.549 4.093 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1035 1 98 GLU HA 1 99 TYR H 2.000 . 2.500 2.311 2.205 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1036 1 98 GLU QB 1 100 THR MG 4.000 . 5.000 3.934 2.572 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1037 1 98 GLU HG2 1 100 THR MG 4.000 . 5.000 4.061 2.265 5.058 0.058 12 0 "[ . 1 . 2 . 3 . 4]" 1 1038 1 98 GLU HG3 1 100 THR MG 4.000 . 5.000 3.727 2.220 5.002 0.002 4 0 "[ . 1 . 2 . 3 . 4]" 1 1039 1 99 TYR H 1 100 THR H 4.000 . 5.000 4.530 4.061 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1040 1 99 TYR HA 1 100 THR H 2.000 . 2.500 2.247 2.207 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1041 1 99 TYR HA 1 111 TRP HZ2 4.000 . 5.000 4.048 3.136 5.011 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1 1042 1 99 TYR QD 1 100 THR H 3.000 . 3.500 2.966 2.361 3.509 0.009 28 0 "[ . 1 . 2 . 3 . 4]" 1 1043 1 99 TYR QD 1 101 ALA MB 4.000 . 5.000 3.396 2.024 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1044 1 99 TYR QD 1 108 ILE MD 4.000 . 5.000 4.064 3.202 4.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1045 1 99 TYR QE 1 101 ALA MB 3.000 . 3.500 2.817 2.007 3.505 0.005 28 0 "[ . 1 . 2 . 3 . 4]" 1 1046 1 99 TYR QE 1 108 ILE H 4.000 . 5.000 4.585 3.957 5.028 0.028 17 0 "[ . 1 . 2 . 3 . 4]" 1 1047 1 99 TYR QE 1 108 ILE MD 3.000 . 3.500 3.115 2.198 3.584 0.084 30 0 "[ . 1 . 2 . 3 . 4]" 1 1048 1 99 TYR QE 1 111 TRP H 3.000 . 3.500 3.513 3.308 3.667 0.167 40 0 "[ . 1 . 2 . 3 . 4]" 1 1049 1 99 TYR QE 1 111 TRP HB3 4.000 . 5.000 2.292 1.903 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1050 1 99 TYR QE 1 112 LEU H 4.000 . 5.000 4.515 4.025 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1051 1 100 THR H 1 100 THR HA 3.000 . 3.500 2.964 2.831 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1052 1 100 THR H 1 100 THR MG 3.000 . 3.500 2.595 1.948 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1053 1 100 THR H 1 111 TRP HE1 3.000 . 3.500 3.165 2.341 3.512 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1 1054 1 101 ALA HA 1 102 GLY H 3.000 . 3.500 3.003 2.624 3.552 0.052 25 0 "[ . 1 . 2 . 3 . 4]" 1 1055 1 101 ALA MB 1 102 GLY H 3.000 . 3.500 1.992 1.894 2.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1056 1 101 ALA MB 1 111 TRP H 4.000 . 5.000 4.388 3.312 5.012 0.012 7 0 "[ . 1 . 2 . 3 . 4]" 1 1057 1 101 ALA MB 1 111 TRP HB3 4.000 . 5.000 4.435 3.337 5.600 0.600 17 2 "[ . 1 . + 2 . 3- . 4]" 1 1058 1 101 ALA MB 1 111 TRP HD1 4.000 . 5.000 3.159 2.022 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1059 1 102 GLY H 1 103 ARG H 3.000 . 3.500 2.816 2.180 3.541 0.041 14 0 "[ . 1 . 2 . 3 . 4]" 1 1060 1 102 GLY H 1 107 ASP H 4.000 . 5.000 4.230 3.738 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1061 1 102 GLY H 1 107 ASP HB2 3.000 . 3.500 3.464 2.397 3.568 0.068 39 0 "[ . 1 . 2 . 3 . 4]" 1 1062 1 102 GLY H 1 107 ASP HB3 3.000 . 3.500 2.429 1.938 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1063 1 102 GLY QA 1 103 ARG H 2.000 . 2.500 2.378 2.165 2.603 0.103 3 0 "[ . 1 . 2 . 3 . 4]" 1 1064 1 102 GLY QA 1 104 GLU H 4.000 . 5.000 4.092 3.737 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1065 1 103 ARG H 1 103 ARG HB2 4.000 . 5.000 2.820 2.187 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1066 1 103 ARG H 1 103 ARG HB3 3.000 . 3.500 3.309 2.578 4.013 0.513 3 1 "[ + . 1 . 2 . 3 . 4]" 1 1067 1 103 ARG H 1 103 ARG QD 4.000 . 5.000 4.677 3.847 5.036 0.036 25 0 "[ . 1 . 2 . 3 . 4]" 1 1068 1 103 ARG H 1 104 GLU H 3.000 . 3.500 2.126 1.925 3.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1069 1 103 ARG H 1 107 ASP HB2 4.000 . 5.000 2.828 2.186 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1070 1 103 ARG HA 1 104 GLU H 3.000 . 3.500 3.344 2.654 3.573 0.073 4 0 "[ . 1 . 2 . 3 . 4]" 1 1071 1 103 ARG HB3 1 104 GLU H 4.000 . 5.000 3.162 2.025 4.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1072 1 103 ARG HG2 1 104 GLU H 4.000 . 5.000 4.530 3.579 5.247 0.247 22 0 "[ . 1 . 2 . 3 . 4]" 1 1073 1 104 GLU H 1 104 GLU HA 3.000 . 3.500 2.951 2.877 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1074 1 104 GLU H 1 104 GLU HB2 3.000 . 3.500 2.465 1.972 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1075 1 104 GLU H 1 104 GLU HG3 3.000 . 3.500 3.326 2.485 4.199 0.699 31 1 "[ . 1 . 2 . 3+ . 4]" 1 1076 1 104 GLU H 1 105 ALA H 4.000 . 5.000 4.404 4.216 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1077 1 104 GLU H 1 106 ASP H 4.000 . 5.000 4.603 4.094 5.061 0.061 40 0 "[ . 1 . 2 . 3 . 4]" 1 1078 1 104 GLU H 1 107 ASP H 4.000 . 5.000 3.207 2.822 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1079 1 104 GLU H 1 107 ASP HB2 3.000 . 3.500 2.093 1.934 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1080 1 104 GLU H 1 107 ASP HB3 3.000 . 3.500 3.413 2.842 3.596 0.096 14 0 "[ . 1 . 2 . 3 . 4]" 1 1081 1 104 GLU H 1 108 ILE H 4.000 . 5.000 4.410 3.313 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1082 1 104 GLU H 1 108 ILE MD 4.000 . 5.000 4.661 3.461 5.020 0.020 27 0 "[ . 1 . 2 . 3 . 4]" 1 1083 1 104 GLU HA 1 105 ALA H 2.000 . 2.500 2.421 2.209 2.550 0.050 7 0 "[ . 1 . 2 . 3 . 4]" 1 1084 1 104 GLU HA 1 106 ASP H 4.000 . 5.000 4.268 3.905 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1085 1 104 GLU HA 1 107 ASP H 4.000 . 5.000 4.677 4.505 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1086 1 104 GLU HB2 1 107 ASP H 3.000 . 3.500 2.930 2.167 3.516 0.016 33 0 "[ . 1 . 2 . 3 . 4]" 1 1087 1 104 GLU HB3 1 105 ALA H 3.000 . 3.500 3.362 2.245 4.263 0.763 3 4 "[ + . 1* . - * . 3 . 4]" 1 1088 1 104 GLU HB3 1 106 ASP H 4.000 . 5.000 3.750 2.587 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1089 1 104 GLU HB3 1 107 ASP H 4.000 . 5.000 4.438 3.316 5.072 0.072 21 0 "[ . 1 . 2 . 3 . 4]" 1 1090 1 105 ALA H 1 105 ALA HA 3.000 . 3.500 2.781 2.635 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1091 1 105 ALA H 1 105 ALA MB 3.000 . 3.500 1.995 1.921 2.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1092 1 105 ALA H 1 106 ASP H 3.000 . 3.500 2.914 2.690 3.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1093 1 105 ALA H 1 107 ASP H 4.000 . 5.000 4.479 4.158 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1094 1 105 ALA HA 1 106 ASP H 4.000 . 5.000 3.547 3.501 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1095 1 105 ALA HA 1 108 ILE HB 4.000 . 5.000 2.975 2.529 3.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1096 1 105 ALA HA 1 108 ILE MD 4.000 . 5.000 3.380 2.041 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1097 1 105 ALA MB 1 106 ASP H 3.000 . 3.500 2.636 2.285 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1098 1 105 ALA MB 1 107 ASP H 4.000 . 5.000 4.562 4.185 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1099 1 105 ALA MB 1 108 ILE MD 4.000 . 5.000 4.499 3.497 5.121 0.121 40 0 "[ . 1 . 2 . 3 . 4]" 1 1100 1 105 ALA MB 1 109 VAL H 4.000 . 5.000 4.627 4.286 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1101 1 105 ALA O 1 109 VAL H 2.300 . 2.300 2.207 1.875 2.346 0.046 14 0 "[ . 1 . 2 . 3 . 4]" 1 1102 1 105 ALA O 1 109 VAL N 3.300 2.400 3.300 3.158 2.842 3.308 0.008 14 0 "[ . 1 . 2 . 3 . 4]" 1 1103 1 106 ASP H 1 106 ASP HA 3.000 . 3.500 2.859 2.785 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1104 1 106 ASP H 1 106 ASP HB3 3.000 . 3.500 3.009 1.947 3.543 0.043 1 0 "[ . 1 . 2 . 3 . 4]" 1 1105 1 106 ASP H 1 107 ASP H 3.000 . 3.500 2.708 2.486 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1106 1 106 ASP H 1 108 ILE H 4.000 . 5.000 4.065 3.780 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1107 1 106 ASP H 1 109 VAL QG 4.000 . 5.000 4.589 4.035 4.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1108 1 106 ASP HA 1 107 ASP H 3.000 . 3.500 3.547 3.468 3.577 0.077 19 0 "[ . 1 . 2 . 3 . 4]" 1 1109 1 106 ASP HA 1 109 VAL H 3.000 . 3.500 3.405 3.177 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1110 1 106 ASP HA 1 109 VAL H 3.000 . 3.500 3.492 3.220 3.581 0.081 3 0 "[ . 1 . 2 . 3 . 4]" 1 1111 1 106 ASP HA 1 109 VAL HB 3.000 . 3.500 3.042 2.637 3.643 0.143 28 0 "[ . 1 . 2 . 3 . 4]" 1 1112 1 106 ASP HA 1 109 VAL QG 4.000 . 5.000 3.007 1.791 3.602 0.009 8 0 "[ . 1 . 2 . 3 . 4]" 1 1113 1 106 ASP QB 1 107 ASP H 3.000 . 3.500 2.593 2.242 3.526 0.026 27 0 "[ . 1 . 2 . 3 . 4]" 1 1114 1 106 ASP QB 1 108 ILE H 4.000 . 5.000 4.511 4.251 5.009 0.009 14 0 "[ . 1 . 2 . 3 . 4]" 1 1115 1 106 ASP QB 1 110 ASN HD21 4.000 . 5.000 3.888 2.680 5.041 0.041 16 0 "[ . 1 . 2 . 3 . 4]" 1 1116 1 106 ASP QB 1 110 ASN HD22 4.000 . 5.000 4.565 3.013 5.046 0.046 25 0 "[ . 1 . 2 . 3 . 4]" 1 1117 1 107 ASP H 1 107 ASP HA 3.000 . 3.500 2.864 2.805 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1118 1 107 ASP H 1 107 ASP HB2 3.000 . 3.500 2.076 1.945 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1119 1 107 ASP H 1 107 ASP HB3 3.000 . 3.500 3.370 2.181 3.511 0.011 37 0 "[ . 1 . 2 . 3 . 4]" 1 1120 1 107 ASP H 1 108 ILE H 3.000 . 3.500 2.631 2.438 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1121 1 107 ASP H 1 108 ILE HB 4.000 . 5.000 4.768 4.413 5.024 0.024 28 0 "[ . 1 . 2 . 3 . 4]" 1 1122 1 107 ASP H 1 108 ILE MD 4.000 . 5.000 4.916 4.486 5.091 0.091 30 0 "[ . 1 . 2 . 3 . 4]" 1 1123 1 107 ASP H 1 108 ILE QG 4.000 . 5.000 3.854 3.557 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1124 1 107 ASP HA 1 108 ILE H 3.000 . 3.500 3.507 3.449 3.554 0.054 18 0 "[ . 1 . 2 . 3 . 4]" 1 1125 1 107 ASP HA 1 110 ASN H 3.000 . 3.500 2.749 2.682 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1126 1 107 ASP HA 1 111 TRP H 3.000 . 3.500 3.357 3.122 3.506 0.006 10 0 "[ . 1 . 2 . 3 . 4]" 1 1127 1 107 ASP HB2 1 108 ILE H 3.000 . 3.500 3.061 2.562 3.592 0.092 14 0 "[ . 1 . 2 . 3 . 4]" 1 1128 1 107 ASP HB3 1 108 ILE H 3.000 . 3.500 3.467 3.260 3.768 0.268 32 0 "[ . 1 . 2 . 3 . 4]" 1 1129 1 108 ILE H 1 108 ILE HA 3.000 . 3.500 2.908 2.811 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1130 1 108 ILE H 1 108 ILE HB 3.000 . 3.500 2.394 2.228 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1131 1 108 ILE H 1 108 ILE QG 3.000 . 3.500 2.037 1.891 2.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1132 1 108 ILE H 1 109 VAL H 3.000 . 3.500 2.612 2.355 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1133 1 108 ILE HA 1 109 VAL H 4.000 . 5.000 3.580 3.552 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1134 1 108 ILE HB 1 109 VAL H 3.000 . 3.500 2.352 2.031 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1135 1 108 ILE MG 1 109 VAL H 3.000 . 3.500 3.321 2.958 3.511 0.011 2 0 "[ . 1 . 2 . 3 . 4]" 1 1136 1 108 ILE O 1 112 LEU H 2.300 . 2.300 2.298 2.083 2.362 0.062 9 0 "[ . 1 . 2 . 3 . 4]" 1 1137 1 108 ILE O 1 112 LEU N 3.300 2.400 3.300 3.119 2.857 3.325 0.025 30 0 "[ . 1 . 2 . 3 . 4]" 1 1138 1 109 VAL H 1 109 VAL HA 3.000 . 3.500 2.871 2.825 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1139 1 109 VAL H 1 109 VAL HB 3.000 . 3.500 2.379 2.268 2.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1140 1 109 VAL H 1 109 VAL QG 3.000 . 3.500 2.122 1.925 2.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1141 1 109 VAL H 1 110 ASN H 3.000 . 3.500 2.658 2.421 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1142 1 109 VAL H 1 110 ASN QB 4.000 . 5.000 4.276 3.951 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1143 1 109 VAL HA 1 110 ASN H 4.000 . 5.000 3.555 3.522 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1144 1 109 VAL HA 1 112 LEU H 3.000 . 3.500 3.336 3.085 3.570 0.070 30 0 "[ . 1 . 2 . 3 . 4]" 1 1145 1 109 VAL HA 1 113 LYS H 4.000 . 5.000 3.783 3.569 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1146 1 109 VAL HB 1 110 ASN H 3.000 . 3.500 2.662 2.293 3.691 0.191 27 0 "[ . 1 . 2 . 3 . 4]" 1 1147 1 109 VAL QG 1 110 ASN H . . 3.500 3.075 1.797 3.287 0.003 40 0 "[ . 1 . 2 . 3 . 4]" 1 1148 1 109 VAL QG 1 113 LYS H 3.000 . 3.500 3.440 3.256 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1149 1 110 ASN H 1 110 ASN QB 3.000 . 3.500 2.054 1.936 2.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1150 1 110 ASN H 1 110 ASN HD21 4.000 . 5.000 3.565 2.078 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1151 1 110 ASN H 1 111 TRP H 3.000 . 3.500 2.835 2.569 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1152 1 110 ASN HA 1 111 TRP H 3.000 . 3.500 3.562 3.518 3.579 0.079 34 0 "[ . 1 . 2 . 3 . 4]" 1 1153 1 110 ASN HA 1 113 LYS H 3.000 . 3.500 3.520 3.235 3.625 0.125 30 0 "[ . 1 . 2 . 3 . 4]" 1 1154 1 110 ASN HA 1 114 LYS H 4.000 . 5.000 4.449 3.726 5.010 0.010 13 0 "[ . 1 . 2 . 3 . 4]" 1 1155 1 110 ASN QB 1 111 TRP H 3.000 . 3.500 2.464 1.985 3.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1156 1 111 TRP H 1 111 TRP HA 3.000 . 3.500 2.874 2.820 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1157 1 111 TRP H 1 111 TRP HB2 3.000 . 3.500 2.164 1.945 2.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1158 1 111 TRP H 1 111 TRP HB3 3.000 . 3.500 2.784 2.453 3.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1159 1 111 TRP H 1 112 LEU H 3.000 . 3.500 2.595 2.273 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1160 1 111 TRP H 1 112 LEU HB2 4.000 . 5.000 4.174 3.878 5.012 0.012 19 0 "[ . 1 . 2 . 3 . 4]" 1 1161 1 111 TRP HA 1 112 LEU H 3.000 . 3.500 3.513 3.411 3.582 0.082 30 0 "[ . 1 . 2 . 3 . 4]" 1 1162 1 111 TRP HA 1 114 LYS H 3.000 . 3.500 2.785 2.673 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1163 1 111 TRP HA 1 114 LYS QB 4.000 . 5.000 2.634 2.136 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1164 1 111 TRP HB2 1 112 LEU H 3.000 . 3.500 2.814 2.681 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1165 1 112 LEU H 1 112 LEU HB2 3.000 . 3.500 2.060 1.850 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1166 1 112 LEU H 1 112 LEU HB3 3.000 . 3.500 3.291 2.201 3.515 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1 1167 1 112 LEU H 1 112 LEU QD 3.000 . 3.500 2.983 2.194 3.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1168 1 112 LEU HA 1 113 LYS H 4.000 . 5.000 3.569 3.517 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1169 1 112 LEU HA 1 114 LYS H 4.000 . 5.000 3.922 3.663 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1170 1 112 LEU HA 1 115 ARG H 4.000 . 5.000 4.586 3.650 5.037 0.037 34 0 "[ . 1 . 2 . 3 . 4]" 1 1171 1 112 LEU HB2 1 113 LYS H 3.000 . 3.500 2.904 2.344 3.980 0.480 19 0 "[ . 1 . 2 . 3 . 4]" 1 1172 1 113 LYS H 1 113 LYS HA 3.000 . 3.500 2.936 2.832 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1173 1 113 LYS H 1 113 LYS QB 3.000 . 3.500 2.177 1.928 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1174 1 113 LYS H 1 113 LYS HD2 3.000 . 3.500 3.793 2.788 4.004 0.504 19 3 "[ . 1 . +2 * 3 -. 4]" 1 1175 1 113 LYS H 1 113 LYS QG 3.000 . 3.500 2.925 1.909 3.910 0.410 19 0 "[ . 1 . 2 . 3 . 4]" 1 1176 1 113 LYS H 1 114 LYS H 3.000 . 3.500 2.619 2.382 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1177 1 113 LYS H 1 114 LYS HA 4.000 . 5.000 4.857 4.415 5.214 0.214 40 0 "[ . 1 . 2 . 3 . 4]" 1 1178 1 113 LYS HA 1 114 LYS H 4.000 . 5.000 3.312 2.968 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1179 1 113 LYS HA 1 116 THR H 4.000 . 5.000 3.130 2.523 4.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1180 1 113 LYS HA 1 117 GLY H 4.000 . 5.000 3.712 2.073 4.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1181 1 113 LYS HD2 1 114 LYS H 4.000 . 5.000 4.043 3.220 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1182 1 113 LYS QG 1 116 THR H 4.000 . 5.000 4.689 3.560 5.096 0.096 11 0 "[ . 1 . 2 . 3 . 4]" 1 1183 1 113 LYS QG 1 117 GLY H 4.000 . 5.000 4.401 2.800 5.062 0.062 34 0 "[ . 1 . 2 . 3 . 4]" 1 1184 1 114 LYS H 1 114 LYS QB 3.000 . 3.500 2.076 1.925 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1185 1 114 LYS H 1 114 LYS HG2 4.000 . 5.000 4.100 2.123 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1186 1 114 LYS H 1 117 GLY H 4.000 . 5.000 4.019 2.589 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1187 1 115 ARG H 1 116 THR H 3.000 . 3.500 2.280 1.935 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1188 1 115 ARG HA 1 116 THR H 3.000 . 3.500 3.309 2.607 3.573 0.073 30 0 "[ . 1 . 2 . 3 . 4]" 1 1189 1 115 ARG HB3 1 116 THR H 4.000 . 5.000 3.722 2.663 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1190 1 116 THR H 1 116 THR HA 3.000 . 3.500 2.887 2.355 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1191 1 116 THR H 1 116 THR HB 4.000 . 5.000 3.435 2.221 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1192 1 116 THR H 1 116 THR MG 3.000 . 3.500 2.972 1.944 3.670 0.170 23 0 "[ . 1 . 2 . 3 . 4]" 1 1193 1 116 THR H 1 117 GLY H 3.000 . 3.500 2.635 1.942 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1194 1 116 THR HA 1 117 GLY H 3.000 . 3.500 2.553 2.110 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1195 1 116 THR HB 1 117 GLY H 4.000 . 5.000 3.611 2.008 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1196 1 116 THR MG 1 117 GLY H 4.000 . 5.000 3.839 1.872 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1197 1 117 GLY H 1 117 GLY HA3 3.000 . 3.500 2.638 2.346 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1198 1 117 GLY H 1 118 PRO QD 4.000 . 5.000 4.326 4.187 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1199 1 117 GLY HA2 1 118 PRO QD 2.000 . 2.500 2.353 2.167 2.572 0.072 25 0 "[ . 1 . 2 . 3 . 4]" 1 1200 1 117 GLY HA3 1 118 PRO QD 2.000 . 2.500 2.310 2.081 2.514 0.014 1 0 "[ . 1 . 2 . 3 . 4]" 1 1201 1 117 GLY HA3 1 119 ALA H 4.000 . 5.000 4.160 3.169 4.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1202 1 118 PRO HA 1 119 ALA H 3.000 . 3.500 2.809 2.218 3.577 0.077 1 0 "[ . 1 . 2 . 3 . 4]" 1 1203 1 118 PRO HB2 1 119 ALA H 4.000 . 5.000 3.527 2.072 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1204 1 118 PRO HB3 1 119 ALA H 4.000 . 5.000 3.898 3.088 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1205 1 118 PRO QD 1 119 ALA H 4.000 . 5.000 3.949 2.441 5.007 0.007 29 0 "[ . 1 . 2 . 3 . 4]" 1 1206 1 119 ALA H 1 119 ALA MB 3.000 . 3.500 2.512 1.942 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1207 1 119 ALA H 1 120 ALA H 4.000 . 5.000 3.677 1.986 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1208 1 119 ALA HA 1 120 ALA H 4.000 . 5.000 2.804 2.209 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 1209 1 119 ALA MB 1 120 ALA H 4.000 . 5.000 2.826 1.931 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1 stop_ save_
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