NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
402578 | 1wfi | 10084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfi 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 1887 _Distance_constraint_stats_list.Viol_count 2711 _Distance_constraint_stats_list.Viol_total 5381.130 _Distance_constraint_stats_list.Viol_max 0.969 _Distance_constraint_stats_list.Viol_rms 0.0449 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0071 _Distance_constraint_stats_list.Viol_average_violations_only 0.0992 _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 2 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 GLY 0.024 0.024 14 0 "[ . 1 . 2]" 1 8 PRO 3.771 0.545 19 1 "[ . 1 . +2]" 1 9 ASN 2.341 0.545 19 1 "[ . 1 . +2]" 1 10 TYR 4.635 0.387 10 0 "[ . 1 . 2]" 1 11 ARG 7.687 0.692 2 3 "[ + - 1 * . 2]" 1 12 TRP 6.481 0.692 2 3 "[ + - 1 * . 2]" 1 13 THR 2.813 0.239 1 0 "[ . 1 . 2]" 1 14 GLN 2.214 0.239 1 0 "[ . 1 . 2]" 1 15 THR 1.071 0.237 7 0 "[ . 1 . 2]" 1 16 LEU 1.237 0.141 1 0 "[ . 1 . 2]" 1 17 ALA 1.126 0.129 5 0 "[ . 1 . 2]" 1 18 GLU 2.934 0.254 6 0 "[ . 1 . 2]" 1 19 LEU 3.600 0.660 9 1 "[ . +1 . 2]" 1 20 ASP 5.718 0.311 11 0 "[ . 1 . 2]" 1 21 LEU 7.453 0.311 11 0 "[ . 1 . 2]" 1 22 ALA 1.326 0.187 19 0 "[ . 1 . 2]" 1 23 VAL 1.503 0.090 10 0 "[ . 1 . 2]" 1 24 PRO 0.156 0.082 19 0 "[ . 1 . 2]" 1 25 PHE 1.257 0.082 19 0 "[ . 1 . 2]" 1 26 ARG 0.984 0.196 11 0 "[ . 1 . 2]" 1 27 VAL 2.819 0.181 3 0 "[ . 1 . 2]" 1 28 SER 0.109 0.027 12 0 "[ . 1 . 2]" 1 29 PHE 1.139 0.085 11 0 "[ . 1 . 2]" 1 30 ARG 5.333 0.675 8 4 "[ . -+ 1 . **]" 1 31 LEU 6.985 0.675 8 4 "[ . -+ 1 . **]" 1 32 LYS 8.152 0.703 4 3 "[ +.- 1 * . 2]" 1 33 GLY 2.961 0.539 13 2 "[ .- 1 + . 2]" 1 34 LYS 3.711 0.589 9 1 "[ . +1 . 2]" 1 35 ASP 0.926 0.143 19 0 "[ . 1 . 2]" 1 36 VAL 6.120 0.603 13 2 "[ . 1 + .- 2]" 1 37 VAL 11.739 0.865 20 5 "[ .* 1 * .- * +]" 1 38 VAL 4.645 0.509 19 1 "[ . 1 . +2]" 1 39 ASP 1.656 0.509 19 1 "[ . 1 . +2]" 1 40 ILE 5.779 0.234 7 0 "[ . 1 . 2]" 1 41 GLN 13.691 0.969 6 2 "[ .+ 1 - . 2]" 1 42 ARG 10.028 0.746 18 1 "[ . 1 . + 2]" 1 43 ARG 1.836 0.381 8 0 "[ . 1 . 2]" 1 44 HIS 3.173 0.969 6 2 "[ .+ 1 - . 2]" 1 45 LEU 4.143 0.585 16 1 "[ . 1 .+ 2]" 1 46 ARG 2.880 0.163 19 0 "[ . 1 . 2]" 1 47 VAL 7.230 0.585 16 1 "[ . 1 .+ 2]" 1 48 GLY 7.190 0.865 20 5 "[ .* 1 * .* - +]" 1 49 LEU 2.284 0.179 18 0 "[ . 1 . 2]" 1 50 LYS 6.631 0.449 12 0 "[ . 1 . 2]" 1 51 GLY 1.763 0.160 16 0 "[ . 1 . 2]" 1 52 GLN 6.051 0.308 20 0 "[ . 1 . 2]" 1 53 PRO 6.172 0.308 20 0 "[ . 1 . 2]" 1 54 PRO 3.191 0.174 20 0 "[ . 1 . 2]" 1 55 VAL 5.866 0.810 10 5 "[ . +* . *-*2]" 1 56 VAL 9.202 0.810 10 5 "[ . +* . *-*2]" 1 57 ASP 0.956 0.107 19 0 "[ . 1 . 2]" 1 58 GLY 0.524 0.484 15 0 "[ . 1 . 2]" 1 59 GLU 3.278 0.542 12 1 "[ . 1 + . 2]" 1 60 LEU 3.447 0.542 12 1 "[ . 1 + . 2]" 1 61 TYR 4.022 0.386 15 0 "[ . 1 . 2]" 1 62 ASN 4.707 0.347 17 0 "[ . 1 . 2]" 1 63 GLU 2.280 0.292 7 0 "[ . 1 . 2]" 1 64 VAL 3.032 0.181 7 0 "[ . 1 . 2]" 1 65 LYS 2.167 0.288 8 0 "[ . 1 . 2]" 1 66 VAL 4.991 0.462 7 0 "[ . 1 . 2]" 1 67 GLU 1.554 0.275 6 0 "[ . 1 . 2]" 1 68 GLU 5.233 0.787 4 4 "[- +. ** 1 . 2]" 1 69 SER 5.669 0.787 4 3 "[- +. * 1 . 2]" 1 70 SER 6.030 0.448 7 0 "[ . 1 . 2]" 1 71 TRP 2.093 0.302 19 0 "[ . 1 . 2]" 1 72 LEU 3.875 0.228 3 0 "[ . 1 . 2]" 1 73 ILE 8.098 0.477 3 0 "[ . 1 . 2]" 1 74 GLU 0.306 0.048 15 0 "[ . 1 . 2]" 1 75 ASP 1.174 0.109 9 0 "[ . 1 . 2]" 1 76 GLY 0.461 0.109 10 0 "[ . 1 . 2]" 1 77 LYS 0.482 0.093 17 0 "[ . 1 . 2]" 1 78 VAL 0.062 0.029 3 0 "[ . 1 . 2]" 1 79 VAL 1.813 0.089 10 0 "[ . 1 . 2]" 1 80 THR 3.146 0.187 19 0 "[ . 1 . 2]" 1 81 VAL 2.535 0.142 11 0 "[ . 1 . 2]" 1 82 HIS 5.603 0.448 7 0 "[ . 1 . 2]" 1 83 LEU 1.414 0.397 4 0 "[ . 1 . 2]" 1 84 GLU 1.068 0.692 8 1 "[ . + 1 . 2]" 1 85 LYS 0.590 0.075 7 0 "[ . 1 . 2]" 1 86 ILE 0.925 0.130 10 0 "[ . 1 . 2]" 1 87 ASN 0.063 0.040 5 0 "[ . 1 . 2]" 1 88 LYS 1.071 0.245 5 0 "[ . 1 . 2]" 1 89 MET 2.217 0.564 5 1 "[ + 1 . 2]" 1 90 GLU 8.891 0.642 13 5 "[* -. *1 + . * 2]" 1 91 TRP 0.581 0.272 5 0 "[ . 1 . 2]" 1 92 TRP 7.754 0.660 9 3 "[ -. +1 . * 2]" 1 93 ASN 0.113 0.082 8 0 "[ . 1 . 2]" 1 94 ARG 16.055 0.796 15 3 "[ -. 1 * + 2]" 1 95 LEU 2.722 0.230 19 0 "[ . 1 . 2]" 1 96 VAL 5.057 0.548 15 1 "[ . 1 + 2]" 1 97 THR 8.044 0.796 15 3 "[ *. 1 * + 2]" 1 98 SER 5.722 0.599 5 5 "[ * + - 1 . * *]" 1 99 ASP 4.849 0.599 5 5 "[ * + - 1 . * *]" 1 100 PRO 2.380 0.339 9 0 "[ . 1 . 2]" 1 101 GLU 3.679 0.339 9 0 "[ . 1 . 2]" 1 102 ILE 3.246 0.254 3 0 "[ . 1 . 2]" 1 103 ASN 1.234 0.129 14 0 "[ . 1 . 2]" 1 104 THR 0.773 0.129 14 0 "[ . 1 . 2]" 1 105 LYS 2.251 0.309 15 0 "[ . 1 . 2]" 1 106 LYS 6.176 0.320 17 0 "[ . 1 . 2]" 1 107 ILE 4.630 0.393 19 0 "[ . 1 . 2]" 1 108 ASN 0.037 0.037 16 0 "[ . 1 . 2]" 1 109 PRO 0.395 0.133 14 0 "[ . 1 . 2]" 1 110 GLU 6.652 0.841 20 4 "[ . ** - . +]" 1 111 ASN 1.838 0.249 9 0 "[ . 1 . 2]" 1 112 SER 1.129 0.278 2 0 "[ . 1 . 2]" 1 113 LYS 9.044 0.756 12 3 "[ . *- + . 2]" 1 114 LEU 11.760 0.823 1 7 "[+* ** *1 .* *2]" 1 115 SER 8.826 0.546 19 6 "[-* ** 1 .* +2]" 1 116 ASP 0.083 0.044 1 0 "[ . 1 . 2]" 1 117 LEU 9.151 0.708 8 7 "[ * * + 1*** . *2]" 1 118 ASP 0.283 0.147 15 0 "[ . 1 . 2]" 1 119 SER 3.332 0.351 3 0 "[ . 1 . 2]" 1 120 GLU 7.224 0.380 14 0 "[ . 1 . 2]" 1 121 THR 1.417 0.259 16 0 "[ . 1 . 2]" 1 122 ARG 1.068 0.268 16 0 "[ . 1 . 2]" 1 123 SER 0.481 0.268 16 0 "[ . 1 . 2]" 1 124 MET 2.538 0.442 4 0 "[ . 1 . 2]" 1 125 VAL 0.749 0.173 7 0 "[ . 1 . 2]" 1 126 SER 0.749 0.173 7 0 "[ . 1 . 2]" 1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 128 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 129 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 130 SER 0.000 0.000 . 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 66 VAL H 1 67 GLU H . . 3.630 2.488 2.287 2.814 . 0 0 "[ . 1 . 2]" 1 2 1 65 LYS H 1 66 VAL H . . 4.750 4.369 4.211 4.485 . 0 0 "[ . 1 . 2]" 1 3 1 66 VAL H 1 66 VAL HB . . 3.390 3.418 2.770 3.567 0.177 10 0 "[ . 1 . 2]" 1 4 1 65 LYS HB2 1 66 VAL H . . 4.690 4.636 4.519 4.708 0.018 11 0 "[ . 1 . 2]" 1 5 1 91 TRP H 1 91 TRP HD1 . . 4.840 4.396 3.645 5.112 0.272 5 0 "[ . 1 . 2]" 1 6 1 90 GLU HA 1 91 TRP H . . 3.320 2.396 2.213 2.824 . 0 0 "[ . 1 . 2]" 1 7 1 91 TRP H 1 91 TRP HB3 . . 3.890 2.295 2.092 2.550 . 0 0 "[ . 1 . 2]" 1 8 1 91 TRP H 1 91 TRP HB2 . . 3.760 3.048 2.368 3.583 . 0 0 "[ . 1 . 2]" 1 9 1 71 TRP H 1 71 TRP HE1 . . 5.100 4.717 4.413 5.101 0.001 3 0 "[ . 1 . 2]" 1 10 1 38 VAL HB 1 71 TRP HE1 . . 3.740 3.075 2.706 3.436 . 0 0 "[ . 1 . 2]" 1 11 1 12 TRP H 1 12 TRP HE1 . . 5.240 5.093 4.881 5.265 0.025 20 0 "[ . 1 . 2]" 1 12 1 12 TRP HE1 1 95 LEU H . . 5.080 3.507 2.919 4.477 . 0 0 "[ . 1 . 2]" 1 13 1 12 TRP HE1 1 94 ARG HA . . 5.150 4.325 3.491 4.876 . 0 0 "[ . 1 . 2]" 1 14 1 12 TRP HE1 1 95 LEU HB3 . . 5.130 4.129 3.626 4.857 . 0 0 "[ . 1 . 2]" 1 15 1 12 TRP HE1 1 95 LEU QD . . 4.770 4.381 4.003 4.597 . 0 0 "[ . 1 . 2]" 1 16 1 12 TRP HE1 1 95 LEU HB2 . . 4.920 3.171 2.790 3.783 . 0 0 "[ . 1 . 2]" 1 17 1 74 GLU H 1 80 THR H . . 4.350 3.526 2.865 4.132 . 0 0 "[ . 1 . 2]" 1 18 1 74 GLU H 1 79 VAL HA . . 4.530 3.356 2.986 3.871 . 0 0 "[ . 1 . 2]" 1 19 1 14 GLN HE22 1 92 TRP H . . 4.280 2.898 1.908 4.122 . 0 0 "[ . 1 . 2]" 1 20 1 91 TRP HE3 1 92 TRP H . . 4.140 3.560 2.805 4.170 0.030 9 0 "[ . 1 . 2]" 1 21 1 16 LEU QD 1 92 TRP H . . 4.530 4.092 3.442 4.515 . 0 0 "[ . 1 . 2]" 1 22 1 14 GLN HE21 1 92 TRP H . . 4.040 3.294 2.013 4.099 0.059 7 0 "[ . 1 . 2]" 1 23 1 61 TYR QD 1 92 TRP HE1 . . 5.140 3.439 2.633 4.464 . 0 0 "[ . 1 . 2]" 1 24 1 90 GLU HG3 1 92 TRP HE1 . . 5.050 4.613 2.859 5.615 0.565 17 2 "[ -. 1 . + 2]" 1 25 1 85 LYS HD3 1 92 TRP HE1 . . 4.010 3.224 2.520 3.718 . 0 0 "[ . 1 . 2]" 1 26 1 85 LYS HD2 1 92 TRP HE1 . . 5.090 4.698 4.146 5.116 0.026 15 0 "[ . 1 . 2]" 1 27 1 85 LYS HE2 1 92 TRP HE1 . . 4.430 2.857 2.602 3.120 . 0 0 "[ . 1 . 2]" 1 28 1 85 LYS HG3 1 92 TRP HE1 . . 5.290 4.594 3.710 5.313 0.023 15 0 "[ . 1 . 2]" 1 29 1 78 VAL H 1 79 VAL H . . 5.240 4.524 4.456 4.636 . 0 0 "[ . 1 . 2]" 1 30 1 25 PHE QE 1 79 VAL H . . 4.570 4.040 3.348 4.490 . 0 0 "[ . 1 . 2]" 1 31 1 23 VAL HB 1 79 VAL H . . 4.080 3.395 3.014 3.767 . 0 0 "[ . 1 . 2]" 1 32 1 78 VAL QG 1 79 VAL H . . 3.240 2.751 2.147 3.199 . 0 0 "[ . 1 . 2]" 1 33 1 39 ASP H 1 40 ILE H . . 4.840 4.175 3.673 4.467 . 0 0 "[ . 1 . 2]" 1 34 1 40 ILE H 1 40 ILE HG12 . . 3.870 3.884 3.449 4.083 0.213 7 0 "[ . 1 . 2]" 1 35 1 40 ILE H 1 40 ILE MG . . 3.840 3.706 3.592 3.759 . 0 0 "[ . 1 . 2]" 1 36 1 70 SER H 1 82 HIS H . . 4.010 2.974 2.679 3.390 . 0 0 "[ . 1 . 2]" 1 37 1 82 HIS H 1 83 LEU H . . 5.020 4.108 3.948 4.312 . 0 0 "[ . 1 . 2]" 1 38 1 71 TRP HB2 1 82 HIS H . . 5.250 4.406 4.083 4.914 . 0 0 "[ . 1 . 2]" 1 39 1 81 VAL HB 1 82 HIS H . . 4.980 4.097 3.752 4.466 . 0 0 "[ . 1 . 2]" 1 40 1 82 HIS H 1 83 LEU QD . . 4.060 3.295 2.750 3.983 . 0 0 "[ . 1 . 2]" 1 41 1 81 VAL H 1 82 HIS H . . 5.230 4.392 4.181 4.471 . 0 0 "[ . 1 . 2]" 1 42 1 11 ARG H 1 22 ALA H . . 3.960 3.448 3.148 3.749 . 0 0 "[ . 1 . 2]" 1 43 1 12 TRP QB 1 22 ALA H . . 4.680 3.781 3.288 4.106 . 0 0 "[ . 1 . 2]" 1 44 1 39 ASP H 1 47 VAL MG2 . . 5.170 3.453 3.024 3.823 . 0 0 "[ . 1 . 2]" 1 45 1 38 VAL QG 1 39 ASP H . . 3.420 3.180 2.989 3.304 . 0 0 "[ . 1 . 2]" 1 46 1 30 ARG QB 1 31 LEU H . . 4.110 3.733 3.194 4.076 . 0 0 "[ . 1 . 2]" 1 47 1 30 ARG HG2 1 31 LEU H . . 4.520 4.591 3.297 5.195 0.675 8 4 "[ . -+ 1 . **]" 1 48 1 31 LEU H 1 31 LEU HG . . 3.500 2.945 2.476 3.837 0.337 3 0 "[ . 1 . 2]" 1 49 1 38 VAL H 1 47 VAL MG1 . . 5.260 5.157 4.768 5.301 0.041 15 0 "[ . 1 . 2]" 1 50 1 36 VAL QG 1 38 VAL H . . 5.080 3.470 2.867 4.229 . 0 0 "[ . 1 . 2]" 1 51 1 38 VAL H 1 39 ASP H . . 4.800 3.935 3.625 4.149 . 0 0 "[ . 1 . 2]" 1 52 1 38 VAL H 1 38 VAL HB . . 3.490 2.543 2.349 2.772 . 0 0 "[ . 1 . 2]" 1 53 1 25 PHE H 1 26 ARG H . . 4.480 4.441 4.353 4.541 0.061 11 0 "[ . 1 . 2]" 1 54 1 26 ARG H 1 27 VAL H . . 4.080 4.060 3.855 4.145 0.065 19 0 "[ . 1 . 2]" 1 55 1 25 PHE QD 1 26 ARG H . . 4.170 3.671 3.493 3.879 . 0 0 "[ . 1 . 2]" 1 56 1 25 PHE HA 1 26 ARG H . . 2.890 2.325 2.193 2.526 . 0 0 "[ . 1 . 2]" 1 57 1 26 ARG H 1 26 ARG QD . . 4.840 4.555 3.165 4.849 0.009 1 0 "[ . 1 . 2]" 1 58 1 25 PHE QB 1 26 ARG H . . 3.510 2.894 2.376 3.481 . 0 0 "[ . 1 . 2]" 1 59 1 26 ARG H 1 26 ARG QB . . 3.300 2.149 2.014 2.534 . 0 0 "[ . 1 . 2]" 1 60 1 26 ARG H 1 26 ARG HG2 . . 3.930 3.643 1.981 3.943 0.013 2 0 "[ . 1 . 2]" 1 61 1 26 ARG H 1 26 ARG HG3 . . 4.220 3.852 3.031 4.219 . 0 0 "[ . 1 . 2]" 1 62 1 26 ARG H 1 27 VAL MG2 . . 4.630 4.310 3.907 4.548 . 0 0 "[ . 1 . 2]" 1 63 1 44 HIS HB2 1 60 LEU H . . 5.120 4.406 3.795 4.896 . 0 0 "[ . 1 . 2]" 1 64 1 21 LEU H 1 22 ALA H . . 4.630 4.343 4.266 4.425 . 0 0 "[ . 1 . 2]" 1 65 1 21 LEU H 1 81 VAL H . . 3.850 2.707 2.567 2.953 . 0 0 "[ . 1 . 2]" 1 66 1 20 ASP H 1 21 LEU H . . 5.050 4.455 4.149 4.560 . 0 0 "[ . 1 . 2]" 1 67 1 21 LEU H 1 80 THR HA . . 5.060 4.336 4.196 4.446 . 0 0 "[ . 1 . 2]" 1 68 1 21 LEU H 1 21 LEU HG . . 4.810 4.543 4.090 4.927 0.117 10 0 "[ . 1 . 2]" 1 69 1 21 LEU H 1 80 THR MG . . 5.130 4.499 3.616 4.835 . 0 0 "[ . 1 . 2]" 1 70 1 21 LEU H 1 81 VAL MG1 . . 5.070 4.543 4.052 4.995 . 0 0 "[ . 1 . 2]" 1 71 1 21 LEU H 1 81 VAL MG2 . . 4.780 4.798 4.735 4.837 0.057 18 0 "[ . 1 . 2]" 1 72 1 21 LEU H 1 21 LEU QD . . 4.660 3.671 3.264 4.021 . 0 0 "[ . 1 . 2]" 1 73 1 60 LEU H 1 60 LEU QD . . 3.310 2.838 1.864 3.189 . 0 0 "[ . 1 . 2]" 1 74 1 85 LYS H 1 85 LYS HB3 . . 3.960 3.543 3.520 3.584 . 0 0 "[ . 1 . 2]" 1 75 1 85 LYS H 1 85 LYS HB2 . . 3.810 2.427 2.281 2.586 . 0 0 "[ . 1 . 2]" 1 76 1 85 LYS H 1 85 LYS HG2 . . 4.310 3.549 3.153 3.731 . 0 0 "[ . 1 . 2]" 1 77 1 85 LYS H 1 85 LYS HG3 . . 3.930 2.217 1.951 2.555 . 0 0 "[ . 1 . 2]" 1 78 1 39 ASP H 1 46 ARG H . . 3.770 3.094 2.778 3.504 . 0 0 "[ . 1 . 2]" 1 79 1 38 VAL HA 1 46 ARG H . . 5.230 4.547 4.281 4.813 . 0 0 "[ . 1 . 2]" 1 80 1 39 ASP HB2 1 46 ARG H . . 4.470 3.950 3.145 4.526 0.056 12 0 "[ . 1 . 2]" 1 81 1 46 ARG H 1 46 ARG HB3 . . 3.950 2.975 2.807 3.340 . 0 0 "[ . 1 . 2]" 1 82 1 45 LEU HG 1 46 ARG H . . 3.770 3.216 2.032 3.828 0.058 16 0 "[ . 1 . 2]" 1 83 1 45 LEU QD 1 46 ARG H . . 3.140 2.415 1.851 2.997 . 0 0 "[ . 1 . 2]" 1 84 1 38 VAL QG 1 46 ARG H . . 4.920 4.241 3.895 4.599 . 0 0 "[ . 1 . 2]" 1 85 1 45 LEU H 1 60 LEU H . . 4.010 3.900 3.455 4.189 0.179 14 0 "[ . 1 . 2]" 1 86 1 45 LEU H 1 57 ASP HA . . 4.850 4.219 3.880 4.580 . 0 0 "[ . 1 . 2]" 1 87 1 44 HIS HA 1 45 LEU H . . 3.120 2.240 2.187 2.441 . 0 0 "[ . 1 . 2]" 1 88 1 44 HIS HB2 1 45 LEU H . . 4.630 4.440 4.121 4.631 0.001 12 0 "[ . 1 . 2]" 1 89 1 44 HIS HB3 1 45 LEU H . . 4.720 3.806 3.318 4.127 . 0 0 "[ . 1 . 2]" 1 90 1 45 LEU H 1 46 ARG HB2 . . 4.810 4.823 4.667 4.928 0.118 14 0 "[ . 1 . 2]" 1 91 1 45 LEU H 1 45 LEU HB2 . . 3.710 2.990 2.854 3.235 . 0 0 "[ . 1 . 2]" 1 92 1 45 LEU H 1 45 LEU HB3 . . 3.640 2.726 2.381 3.026 . 0 0 "[ . 1 . 2]" 1 93 1 45 LEU H 1 45 LEU QD . . 4.180 3.851 3.750 3.939 . 0 0 "[ . 1 . 2]" 1 94 1 45 LEU H 1 56 VAL MG1 . . 4.330 4.255 3.787 4.431 0.101 19 0 "[ . 1 . 2]" 1 95 1 41 GLN H 1 44 HIS HB3 . . 5.270 3.946 3.653 4.305 . 0 0 "[ . 1 . 2]" 1 96 1 41 GLN H 1 41 GLN HB3 . . 4.000 3.353 2.204 3.637 . 0 0 "[ . 1 . 2]" 1 97 1 40 ILE HG13 1 41 GLN H . . 4.940 5.005 4.847 5.171 0.231 10 0 "[ . 1 . 2]" 1 98 1 87 ASN HB3 1 88 LYS H . . 4.990 3.550 2.220 4.378 . 0 0 "[ . 1 . 2]" 1 99 1 88 LYS H 1 89 MET QG . . 5.290 4.015 3.294 5.246 . 0 0 "[ . 1 . 2]" 1 100 1 88 LYS H 1 88 LYS QG . . 3.780 3.032 2.050 3.958 0.178 14 0 "[ . 1 . 2]" 1 101 1 23 VAL H 1 79 VAL H . . 4.010 2.827 2.616 3.142 . 0 0 "[ . 1 . 2]" 1 102 1 23 VAL H 1 24 PRO HD3 . . 5.280 3.911 3.801 4.043 . 0 0 "[ . 1 . 2]" 1 103 1 23 VAL H 1 79 VAL HB . . 4.400 3.479 3.256 3.637 . 0 0 "[ . 1 . 2]" 1 104 1 22 ALA MB 1 23 VAL H . . 3.780 3.225 3.008 3.370 . 0 0 "[ . 1 . 2]" 1 105 1 23 VAL H 1 80 THR MG . . 4.570 3.767 3.500 4.015 . 0 0 "[ . 1 . 2]" 1 106 1 23 VAL H 1 79 VAL MG1 . . 4.460 3.659 3.213 3.935 . 0 0 "[ . 1 . 2]" 1 107 1 82 HIS HB2 1 83 LEU H . . 5.280 4.407 4.072 4.593 . 0 0 "[ . 1 . 2]" 1 108 1 83 LEU H 1 83 LEU HB2 . . 3.900 2.495 2.298 2.667 . 0 0 "[ . 1 . 2]" 1 109 1 83 LEU H 1 83 LEU HG . . 4.020 3.652 2.652 4.084 0.064 16 0 "[ . 1 . 2]" 1 110 1 19 LEU HB3 1 83 LEU H . . 5.170 3.235 2.102 3.572 . 0 0 "[ . 1 . 2]" 1 111 1 19 LEU HB2 1 83 LEU H . . 5.040 3.323 2.494 3.832 . 0 0 "[ . 1 . 2]" 1 112 1 98 SER H 1 99 ASP H . . 4.340 3.976 2.157 4.309 . 0 0 "[ . 1 . 2]" 1 113 1 98 SER HB3 1 99 ASP H . . 5.060 4.114 3.186 4.576 . 0 0 "[ . 1 . 2]" 1 114 1 49 LEU H 1 50 LYS H . . 4.870 4.507 4.329 4.598 . 0 0 "[ . 1 . 2]" 1 115 1 37 VAL H 1 50 LYS H . . 4.200 3.790 3.375 4.050 . 0 0 "[ . 1 . 2]" 1 116 1 36 VAL H 1 50 LYS H . . 4.890 4.148 3.822 4.533 . 0 0 "[ . 1 . 2]" 1 117 1 35 ASP HA 1 50 LYS H . . 4.490 4.143 3.764 4.544 0.054 6 0 "[ . 1 . 2]" 1 118 1 35 ASP QB 1 50 LYS H . . 5.060 4.453 3.871 4.821 . 0 0 "[ . 1 . 2]" 1 119 1 36 VAL HB 1 50 LYS H . . 5.190 4.837 4.322 5.398 0.208 18 0 "[ . 1 . 2]" 1 120 1 50 LYS H 1 50 LYS HB3 . . 3.320 3.209 3.044 3.475 0.155 20 0 "[ . 1 . 2]" 1 121 1 50 LYS H 1 50 LYS HB2 . . 3.250 2.074 2.013 2.191 . 0 0 "[ . 1 . 2]" 1 122 1 49 LEU HB3 1 50 LYS H . . 3.760 3.300 3.096 3.657 . 0 0 "[ . 1 . 2]" 1 123 1 50 LYS H 1 50 LYS HG3 . . 3.810 3.566 2.890 3.871 0.061 10 0 "[ . 1 . 2]" 1 124 1 37 VAL QG 1 50 LYS H . . 3.710 2.500 1.984 3.084 . 0 0 "[ . 1 . 2]" 1 125 1 36 VAL QG 1 50 LYS H . . 4.440 3.915 3.606 4.119 . 0 0 "[ . 1 . 2]" 1 126 1 37 VAL H 1 38 VAL H . . 4.620 3.962 3.803 4.215 . 0 0 "[ . 1 . 2]" 1 127 1 37 VAL H 1 47 VAL HA . . 5.170 4.514 4.321 4.838 . 0 0 "[ . 1 . 2]" 1 128 1 37 VAL H 1 47 VAL MG1 . . 5.010 4.007 3.335 4.449 . 0 0 "[ . 1 . 2]" 1 129 1 46 ARG H 1 47 VAL H . . 4.920 4.058 3.609 4.339 . 0 0 "[ . 1 . 2]" 1 130 1 47 VAL H 1 56 VAL HA . . 5.190 4.273 4.116 4.582 . 0 0 "[ . 1 . 2]" 1 131 1 47 VAL H 1 54 PRO HB2 . . 4.090 3.426 3.162 3.846 . 0 0 "[ . 1 . 2]" 1 132 1 47 VAL H 1 47 VAL HB . . 3.710 2.578 2.399 2.743 . 0 0 "[ . 1 . 2]" 1 133 1 47 VAL H 1 56 VAL HB . . 3.650 2.153 1.926 2.719 . 0 0 "[ . 1 . 2]" 1 134 1 47 VAL H 1 47 VAL MG1 . . 4.290 3.800 3.722 3.895 . 0 0 "[ . 1 . 2]" 1 135 1 122 ARG H 1 122 ARG HB3 . . 3.720 3.432 2.518 3.885 0.165 4 0 "[ . 1 . 2]" 1 136 1 122 ARG H 1 122 ARG QG . . 3.980 3.589 1.952 3.987 0.007 13 0 "[ . 1 . 2]" 1 137 1 121 THR MG 1 122 ARG H . . 4.600 3.294 1.962 3.995 . 0 0 "[ . 1 . 2]" 1 138 1 104 THR HA 1 105 LYS H . . 2.820 2.501 2.151 2.839 0.019 16 0 "[ . 1 . 2]" 1 139 1 105 LYS H 1 105 LYS HB2 . . 3.630 3.112 2.192 3.663 0.033 11 0 "[ . 1 . 2]" 1 140 1 105 LYS H 1 105 LYS HB3 . . 3.380 3.079 2.359 3.689 0.309 15 0 "[ . 1 . 2]" 1 141 1 105 LYS H 1 105 LYS QG . . 4.110 3.331 1.954 3.949 . 0 0 "[ . 1 . 2]" 1 142 1 104 THR MG 1 105 LYS H . . 4.380 3.555 2.150 4.319 . 0 0 "[ . 1 . 2]" 1 143 1 78 VAL QG 1 80 THR H . . 4.410 3.940 3.497 4.439 0.029 3 0 "[ . 1 . 2]" 1 144 1 80 THR H 1 81 VAL H . . 4.710 4.519 4.391 4.589 . 0 0 "[ . 1 . 2]" 1 145 1 79 VAL H 1 80 THR H . . 5.200 4.414 4.247 4.546 . 0 0 "[ . 1 . 2]" 1 146 1 71 TRP HE3 1 80 THR H . . 5.260 3.779 3.375 4.292 . 0 0 "[ . 1 . 2]" 1 147 1 79 VAL HA 1 80 THR H . . 3.130 2.195 2.182 2.247 . 0 0 "[ . 1 . 2]" 1 148 1 79 VAL HB 1 80 THR H . . 4.730 4.465 4.280 4.597 . 0 0 "[ . 1 . 2]" 1 149 1 20 ASP HA 1 81 VAL H . . 5.140 4.697 4.547 4.962 . 0 0 "[ . 1 . 2]" 1 150 1 22 ALA MB 1 81 VAL H . . 5.120 4.293 4.107 4.522 . 0 0 "[ . 1 . 2]" 1 151 1 21 LEU QD 1 81 VAL H . . 4.850 2.947 2.041 3.867 . 0 0 "[ . 1 . 2]" 1 152 1 21 LEU HG 1 81 VAL H . . 4.980 3.974 3.073 4.935 . 0 0 "[ . 1 . 2]" 1 153 1 112 SER HB2 1 113 LYS H . . 4.460 4.008 2.278 4.738 0.278 2 0 "[ . 1 . 2]" 1 154 1 113 LYS H 1 113 LYS QD . . 5.110 4.361 3.238 4.948 . 0 0 "[ . 1 . 2]" 1 155 1 113 LYS H 1 113 LYS HG2 . . 4.300 3.821 2.722 5.056 0.756 12 2 "[ . -1 + . 2]" 1 156 1 113 LYS H 1 113 LYS HB3 . . 3.510 3.582 2.463 4.026 0.516 10 1 "[ . + . 2]" 1 157 1 106 LYS H 1 106 LYS HA . . 2.880 2.723 2.206 2.923 0.043 16 0 "[ . 1 . 2]" 1 158 1 113 LYS HB2 1 114 LEU H . . 4.470 3.626 2.731 4.449 . 0 0 "[ . 1 . 2]" 1 159 1 106 LYS H 1 106 LYS HB2 . . 3.570 2.596 2.016 3.255 . 0 0 "[ . 1 . 2]" 1 160 1 106 LYS H 1 106 LYS HB3 . . 3.280 3.218 2.182 3.584 0.304 13 0 "[ . 1 . 2]" 1 161 1 105 LYS QG 1 106 LYS H . . 4.160 3.220 1.857 3.977 . 0 0 "[ . 1 . 2]" 1 162 1 114 LEU H 1 114 LEU MD1 . . 4.980 3.784 2.078 4.596 . 0 0 "[ . 1 . 2]" 1 163 1 114 LEU H 1 114 LEU MD2 . . 4.890 4.013 1.930 4.695 . 0 0 "[ . 1 . 2]" 1 164 1 65 LYS H 1 84 GLU H . . 5.050 3.822 3.281 4.316 . 0 0 "[ . 1 . 2]" 1 165 1 103 ASN H 1 104 THR MG . . 4.650 3.771 1.969 4.583 . 0 0 "[ . 1 . 2]" 1 166 1 103 ASN H 1 103 ASN HD21 . . 4.950 4.201 2.363 4.965 0.015 19 0 "[ . 1 . 2]" 1 167 1 103 ASN H 1 103 ASN HB2 . . 3.590 3.060 2.039 3.639 0.049 19 0 "[ . 1 . 2]" 1 168 1 103 ASN H 1 103 ASN HB3 . . 3.490 3.202 2.528 3.596 0.106 9 0 "[ . 1 . 2]" 1 169 1 102 ILE HB 1 103 ASN H . . 3.660 3.507 2.868 3.710 0.050 2 0 "[ . 1 . 2]" 1 170 1 102 ILE QG 1 103 ASN H . . 4.780 4.096 3.819 4.334 . 0 0 "[ . 1 . 2]" 1 171 1 124 MET H 1 124 MET HG3 . . 4.780 4.633 2.325 5.222 0.442 4 0 "[ . 1 . 2]" 1 172 1 107 ILE H 1 107 ILE HB . . 3.410 2.830 2.344 3.537 0.127 16 0 "[ . 1 . 2]" 1 173 1 107 ILE H 1 107 ILE HG12 . . 3.950 3.068 2.158 3.997 0.047 13 0 "[ . 1 . 2]" 1 174 1 64 VAL HB 1 84 GLU H . . 4.690 2.564 2.306 3.098 . 0 0 "[ . 1 . 2]" 1 175 1 83 LEU HB3 1 84 GLU H . . 4.380 2.744 1.980 3.223 . 0 0 "[ . 1 . 2]" 1 176 1 64 VAL MG2 1 84 GLU H . . 4.970 3.840 3.639 4.106 . 0 0 "[ . 1 . 2]" 1 177 1 32 LYS H 1 33 GLY H . . 5.020 4.294 2.185 4.609 . 0 0 "[ . 1 . 2]" 1 178 1 31 LEU H 1 32 LYS H . . 5.040 4.589 4.464 4.654 . 0 0 "[ . 1 . 2]" 1 179 1 32 LYS H 1 35 ASP H . . 4.560 3.780 3.439 4.399 . 0 0 "[ . 1 . 2]" 1 180 1 32 LYS H 1 35 ASP QB . . 3.700 2.957 1.919 3.706 0.006 6 0 "[ . 1 . 2]" 1 181 1 32 LYS H 1 32 LYS QB . . 3.770 2.316 2.137 2.544 . 0 0 "[ . 1 . 2]" 1 182 1 31 LEU HB2 1 32 LYS H . . 4.420 4.381 4.189 4.513 0.093 18 0 "[ . 1 . 2]" 1 183 1 119 SER HB2 1 120 GLU H . . 4.360 4.021 2.037 4.711 0.351 3 0 "[ . 1 . 2]" 1 184 1 120 GLU H 1 120 GLU HG2 . . 4.370 3.710 2.134 4.518 0.148 17 0 "[ . 1 . 2]" 1 185 1 120 GLU H 1 120 GLU HG3 . . 4.460 3.794 2.117 4.458 . 0 0 "[ . 1 . 2]" 1 186 1 120 GLU H 1 120 GLU HB2 . . 3.880 3.310 2.141 3.913 0.033 16 0 "[ . 1 . 2]" 1 187 1 120 GLU H 1 120 GLU HB3 . . 3.500 3.271 2.530 3.880 0.380 14 0 "[ . 1 . 2]" 1 188 1 29 PHE QE 1 32 LYS H . . 5.140 4.993 3.943 5.152 0.012 18 0 "[ . 1 . 2]" 1 189 1 101 GLU HG3 1 102 ILE H . . 4.990 3.786 1.944 4.783 . 0 0 "[ . 1 . 2]" 1 190 1 102 ILE H 1 102 ILE MG . . 3.880 3.707 2.362 4.041 0.161 2 0 "[ . 1 . 2]" 1 191 1 116 ASP HB2 1 117 LEU H . . 4.890 4.648 4.409 4.731 . 0 0 "[ . 1 . 2]" 1 192 1 116 ASP HB3 1 117 LEU H . . 4.330 4.194 4.040 4.374 0.044 1 0 "[ . 1 . 2]" 1 193 1 117 LEU H 1 117 LEU HB2 . . 3.100 2.967 2.076 3.744 0.644 2 4 "[ + . - 1** . 2]" 1 194 1 117 LEU H 1 117 LEU MD1 . . 4.590 3.635 2.018 4.408 . 0 0 "[ . 1 . 2]" 1 195 1 117 LEU H 1 117 LEU MD2 . . 5.040 3.649 1.879 4.485 . 0 0 "[ . 1 . 2]" 1 196 1 115 SER HA 1 117 LEU H . . 4.870 4.760 4.107 4.886 0.016 3 0 "[ . 1 . 2]" 1 197 1 115 SER QB 1 117 LEU H . . 4.970 4.513 2.392 4.806 . 0 0 "[ . 1 . 2]" 1 198 1 59 GLU H 1 60 LEU H . . 4.980 4.489 4.252 4.645 . 0 0 "[ . 1 . 2]" 1 199 1 16 LEU H 1 91 TRP HE3 . . 5.220 3.674 3.204 4.218 . 0 0 "[ . 1 . 2]" 1 200 1 65 LYS H 1 65 LYS HG3 . . 4.580 4.209 4.043 4.334 . 0 0 "[ . 1 . 2]" 1 201 1 65 LYS H 1 86 ILE MD . . 3.960 2.599 2.172 3.546 . 0 0 "[ . 1 . 2]" 1 202 1 100 PRO HD3 1 101 GLU H . . 4.990 4.288 3.854 5.298 0.308 9 0 "[ . 1 . 2]" 1 203 1 100 PRO HB2 1 101 GLU H . . 3.540 2.148 1.571 2.702 . 0 0 "[ . 1 . 2]" 1 204 1 100 PRO QG 1 101 GLU H . . 3.320 2.376 2.172 3.364 0.044 9 0 "[ . 1 . 2]" 1 205 1 101 GLU H 1 101 GLU QB . . 3.130 2.649 2.345 3.137 0.007 3 0 "[ . 1 . 2]" 1 206 1 125 VAL H 1 126 SER H . . 3.970 3.971 3.686 4.143 0.173 7 0 "[ . 1 . 2]" 1 207 1 90 GLU H 1 91 TRP H . . 5.040 4.326 3.777 4.658 . 0 0 "[ . 1 . 2]" 1 208 1 90 GLU H 1 90 GLU HG2 . . 4.410 3.885 1.987 5.052 0.642 13 3 "[* . -1 + . 2]" 1 209 1 89 MET HB3 1 90 GLU H . . 4.580 4.256 2.629 4.719 0.139 1 0 "[ . 1 . 2]" 1 210 1 90 GLU H 1 90 GLU HB3 . . 3.770 2.816 2.334 3.690 . 0 0 "[ . 1 . 2]" 1 211 1 88 LYS HA 1 90 GLU H . . 4.510 3.980 3.432 4.516 0.006 15 0 "[ . 1 . 2]" 1 212 1 90 GLU H 1 90 GLU HB2 . . 3.780 3.463 2.795 3.890 0.110 15 0 "[ . 1 . 2]" 1 213 1 49 LEU H 1 52 GLN QB . . 4.570 2.980 2.688 3.763 . 0 0 "[ . 1 . 2]" 1 214 1 48 GLY H 1 49 LEU H . . 4.800 4.225 3.427 4.396 . 0 0 "[ . 1 . 2]" 1 215 1 49 LEU H 1 55 VAL H . . 5.180 4.580 4.259 4.940 . 0 0 "[ . 1 . 2]" 1 216 1 25 PHE HZ 1 49 LEU H . . 4.840 4.026 3.059 4.757 . 0 0 "[ . 1 . 2]" 1 217 1 48 GLY QA 1 49 LEU H . . 3.290 2.305 2.261 2.333 . 0 0 "[ . 1 . 2]" 1 218 1 49 LEU H 1 49 LEU HB2 . . 3.650 2.421 2.213 2.707 . 0 0 "[ . 1 . 2]" 1 219 1 49 LEU H 1 49 LEU HG . . 3.730 3.087 2.004 3.844 0.114 10 0 "[ . 1 . 2]" 1 220 1 49 LEU H 1 49 LEU QD . . 3.870 2.976 1.800 3.651 . 0 0 "[ . 1 . 2]" 1 221 1 41 GLN H 1 44 HIS H . . 3.800 3.520 3.282 3.672 . 0 0 "[ . 1 . 2]" 1 222 1 42 ARG H 1 44 HIS H . . 4.380 4.299 3.932 4.428 0.048 15 0 "[ . 1 . 2]" 1 223 1 43 ARG H 1 44 HIS H . . 3.110 2.876 2.626 3.014 . 0 0 "[ . 1 . 2]" 1 224 1 44 HIS H 1 45 LEU H . . 4.490 4.073 3.758 4.320 . 0 0 "[ . 1 . 2]" 1 225 1 44 HIS H 1 60 LEU H . . 4.500 3.716 3.348 4.032 . 0 0 "[ . 1 . 2]" 1 226 1 43 ARG HA 1 44 HIS H . . 3.610 2.726 2.651 2.958 . 0 0 "[ . 1 . 2]" 1 227 1 44 HIS H 1 59 GLU HA . . 4.960 4.733 4.269 4.992 0.032 15 0 "[ . 1 . 2]" 1 228 1 44 HIS H 1 44 HIS HB2 . . 3.890 3.190 3.000 3.398 . 0 0 "[ . 1 . 2]" 1 229 1 44 HIS H 1 44 HIS HB3 . . 3.890 3.409 3.266 3.557 . 0 0 "[ . 1 . 2]" 1 230 1 41 GLN HB2 1 44 HIS H . . 3.990 3.264 2.804 4.249 0.259 8 0 "[ . 1 . 2]" 1 231 1 43 ARG HB3 1 44 HIS H . . 4.690 4.346 4.202 4.400 . 0 0 "[ . 1 . 2]" 1 232 1 41 GLN HB3 1 44 HIS H . . 3.630 3.381 2.838 3.729 0.099 13 0 "[ . 1 . 2]" 1 233 1 43 ARG HG3 1 44 HIS H . . 5.020 4.847 4.552 5.064 0.044 8 0 "[ . 1 . 2]" 1 234 1 44 HIS H 1 60 LEU HG . . 4.460 3.271 2.762 3.573 . 0 0 "[ . 1 . 2]" 1 235 1 44 HIS H 1 60 LEU QD . . 3.430 2.125 1.910 2.766 . 0 0 "[ . 1 . 2]" 1 236 1 61 TYR H 1 92 TRP HE3 . . 4.820 3.521 2.819 4.050 . 0 0 "[ . 1 . 2]" 1 237 1 61 TYR H 1 92 TRP HZ3 . . 3.990 2.882 2.335 3.352 . 0 0 "[ . 1 . 2]" 1 238 1 61 TYR H 1 61 TYR QD . . 4.640 4.042 3.956 4.070 . 0 0 "[ . 1 . 2]" 1 239 1 60 LEU HB2 1 61 TYR H . . 4.710 3.833 3.683 4.207 . 0 0 "[ . 1 . 2]" 1 240 1 61 TYR H 1 97 THR MG . . 4.790 3.656 2.650 4.336 . 0 0 "[ . 1 . 2]" 1 241 1 117 LEU HB3 1 118 ASP H . . 4.860 3.492 2.165 4.614 . 0 0 "[ . 1 . 2]" 1 242 1 117 LEU HB2 1 118 ASP H . . 5.010 3.513 2.645 4.539 . 0 0 "[ . 1 . 2]" 1 243 1 14 GLN HA 1 20 ASP H . . 5.190 2.995 2.759 3.618 . 0 0 "[ . 1 . 2]" 1 244 1 19 LEU HB3 1 20 ASP H . . 5.050 3.445 2.584 3.731 . 0 0 "[ . 1 . 2]" 1 245 1 19 LEU HB2 1 20 ASP H . . 5.330 4.453 3.969 4.591 . 0 0 "[ . 1 . 2]" 1 246 1 71 TRP HE3 1 73 ILE H . . 5.140 4.669 4.223 4.993 . 0 0 "[ . 1 . 2]" 1 247 1 72 LEU H 1 80 THR H . . 3.810 2.905 2.574 3.204 . 0 0 "[ . 1 . 2]" 1 248 1 72 LEU H 1 73 ILE H . . 4.680 4.349 4.254 4.375 . 0 0 "[ . 1 . 2]" 1 249 1 71 TRP H 1 72 LEU H . . 5.100 4.412 4.264 4.504 . 0 0 "[ . 1 . 2]" 1 250 1 71 TRP HE3 1 72 LEU H . . 3.910 2.838 2.498 3.082 . 0 0 "[ . 1 . 2]" 1 251 1 72 LEU H 1 81 VAL HA . . 4.360 3.646 3.337 3.955 . 0 0 "[ . 1 . 2]" 1 252 1 72 LEU H 1 79 VAL HA . . 4.780 4.570 4.135 4.819 0.039 13 0 "[ . 1 . 2]" 1 253 1 72 LEU H 1 80 THR HB . . 5.130 3.941 3.239 4.371 . 0 0 "[ . 1 . 2]" 1 254 1 71 TRP HB2 1 72 LEU H . . 3.610 2.654 2.455 2.860 . 0 0 "[ . 1 . 2]" 1 255 1 71 TRP HB3 1 72 LEU H . . 3.960 3.972 3.868 4.078 0.118 19 0 "[ . 1 . 2]" 1 256 1 72 LEU H 1 72 LEU HB2 . . 4.170 3.994 3.944 4.084 . 0 0 "[ . 1 . 2]" 1 257 1 72 LEU H 1 72 LEU HG . . 4.060 3.372 2.620 4.176 0.116 19 0 "[ . 1 . 2]" 1 258 1 72 LEU H 1 79 VAL MG1 . . 4.060 3.743 3.184 4.086 0.026 19 0 "[ . 1 . 2]" 1 259 1 72 LEU H 1 72 LEU QD . . 4.010 2.885 1.781 3.621 . 0 0 "[ . 1 . 2]" 1 260 1 38 VAL QG 1 72 LEU H . . 5.040 4.404 4.068 4.590 . 0 0 "[ . 1 . 2]" 1 261 1 109 PRO HD2 1 110 GLU H . . 4.310 2.558 2.265 4.001 . 0 0 "[ . 1 . 2]" 1 262 1 110 GLU H 1 110 GLU HG3 . . 4.120 3.952 2.980 4.961 0.841 20 4 "[ . ** - . +]" 1 263 1 110 GLU H 1 110 GLU HB3 . . 3.800 3.664 2.884 3.891 0.091 19 0 "[ . 1 . 2]" 1 264 1 110 GLU H 1 110 GLU HB2 . . 3.450 3.063 2.215 3.804 0.354 5 0 "[ . 1 . 2]" 1 265 1 73 ILE H 1 74 GLU H . . 4.740 4.293 4.139 4.492 . 0 0 "[ . 1 . 2]" 1 266 1 71 TRP HZ3 1 73 ILE H . . 5.180 4.622 3.947 5.001 . 0 0 "[ . 1 . 2]" 1 267 1 73 ILE H 1 73 ILE HB . . 3.240 2.572 2.375 2.716 . 0 0 "[ . 1 . 2]" 1 268 1 72 LEU HG 1 73 ILE H . . 4.400 3.881 3.017 4.463 0.063 13 0 "[ . 1 . 2]" 1 269 1 72 LEU QD 1 73 ILE H . . 3.770 2.535 2.015 3.393 . 0 0 "[ . 1 . 2]" 1 270 1 73 ILE H 1 73 ILE MD . . 3.860 3.477 2.478 3.989 0.129 13 0 "[ . 1 . 2]" 1 271 1 74 GLU H 1 78 VAL H . . 3.980 3.577 3.270 3.834 . 0 0 "[ . 1 . 2]" 1 272 1 73 ILE HA 1 78 VAL H . . 4.980 4.698 4.374 4.995 0.015 4 0 "[ . 1 . 2]" 1 273 1 78 VAL H 1 78 VAL HB . . 4.100 3.198 2.363 3.786 . 0 0 "[ . 1 . 2]" 1 274 1 77 LYS HB2 1 78 VAL H . . 4.370 3.634 3.369 3.896 . 0 0 "[ . 1 . 2]" 1 275 1 77 LYS HB3 1 78 VAL H . . 4.270 4.083 3.846 4.171 . 0 0 "[ . 1 . 2]" 1 276 1 78 VAL H 1 78 VAL QG . . 3.240 2.162 2.006 2.400 . 0 0 "[ . 1 . 2]" 1 277 1 12 TRP HZ2 1 95 LEU H . . 4.400 2.795 2.296 3.923 . 0 0 "[ . 1 . 2]" 1 278 1 94 ARG H 1 95 LEU H . . 4.820 4.134 3.819 4.381 . 0 0 "[ . 1 . 2]" 1 279 1 95 LEU H 1 96 VAL H . . 3.620 2.825 2.046 3.233 . 0 0 "[ . 1 . 2]" 1 280 1 95 LEU H 1 95 LEU HB3 . . 3.760 2.617 2.321 2.880 . 0 0 "[ . 1 . 2]" 1 281 1 95 LEU H 1 96 VAL QG . . 5.200 3.977 3.516 4.295 . 0 0 "[ . 1 . 2]" 1 282 1 95 LEU H 1 95 LEU HB2 . . 3.900 2.366 2.130 2.842 . 0 0 "[ . 1 . 2]" 1 283 1 12 TRP H 1 12 TRP HD1 . . 3.690 3.320 3.004 3.578 . 0 0 "[ . 1 . 2]" 1 284 1 10 TYR QD 1 12 TRP H . . 4.860 4.401 3.973 4.843 . 0 0 "[ . 1 . 2]" 1 285 1 11 ARG HB3 1 12 TRP H . . 4.010 3.584 2.873 4.108 0.098 7 0 "[ . 1 . 2]" 1 286 1 11 ARG HG2 1 12 TRP H . . 4.640 4.653 4.098 5.332 0.692 2 3 "[ + - 1 * . 2]" 1 287 1 12 TRP H 1 13 THR MG . . 5.100 3.336 3.068 4.860 . 0 0 "[ . 1 . 2]" 1 288 1 29 PHE H 1 30 ARG H . . 4.960 4.440 4.393 4.497 . 0 0 "[ . 1 . 2]" 1 289 1 25 PHE H 1 79 VAL H . . 4.710 4.565 3.960 4.740 0.030 16 0 "[ . 1 . 2]" 1 290 1 25 PHE H 1 25 PHE QB . . 3.400 2.416 2.202 2.584 . 0 0 "[ . 1 . 2]" 1 291 1 24 PRO HB3 1 25 PHE H . . 4.010 3.709 3.502 4.092 0.082 19 0 "[ . 1 . 2]" 1 292 1 25 PHE H 1 31 LEU QD . . 4.780 4.273 3.757 4.754 . 0 0 "[ . 1 . 2]" 1 293 1 25 PHE H 1 27 VAL MG2 . . 4.990 3.995 3.656 4.501 . 0 0 "[ . 1 . 2]" 1 294 1 125 VAL HB 1 126 SER H . . 4.480 3.806 1.915 4.488 0.008 2 0 "[ . 1 . 2]" 1 295 1 125 VAL QG 1 126 SER H . . 4.130 2.467 1.664 3.255 . 0 0 "[ . 1 . 2]" 1 296 1 65 LYS H 1 86 ILE H . . 4.830 3.872 2.959 4.484 . 0 0 "[ . 1 . 2]" 1 297 1 85 LYS HB3 1 86 ILE H . . 4.190 2.940 2.604 3.439 . 0 0 "[ . 1 . 2]" 1 298 1 19 LEU H 1 83 LEU H . . 3.940 3.089 2.793 3.435 . 0 0 "[ . 1 . 2]" 1 299 1 19 LEU H 1 85 LYS H . . 4.960 4.383 4.042 4.781 . 0 0 "[ . 1 . 2]" 1 300 1 18 GLU H 1 19 LEU H . . 4.940 4.570 4.511 4.629 . 0 0 "[ . 1 . 2]" 1 301 1 19 LEU H 1 82 HIS HA . . 5.220 4.425 4.065 4.920 . 0 0 "[ . 1 . 2]" 1 302 1 18 GLU HG2 1 19 LEU H . . 5.050 4.619 3.937 5.044 . 0 0 "[ . 1 . 2]" 1 303 1 18 GLU HG3 1 19 LEU H . . 4.870 4.525 4.007 4.974 0.104 7 0 "[ . 1 . 2]" 1 304 1 18 GLU HB2 1 19 LEU H . . 3.980 3.094 2.317 3.975 . 0 0 "[ . 1 . 2]" 1 305 1 18 GLU HB3 1 19 LEU H . . 3.730 3.343 2.531 3.984 0.254 6 0 "[ . 1 . 2]" 1 306 1 19 LEU H 1 83 LEU HB2 . . 4.460 3.457 2.846 3.716 . 0 0 "[ . 1 . 2]" 1 307 1 19 LEU H 1 83 LEU HB3 . . 4.780 4.551 3.742 4.932 0.152 19 0 "[ . 1 . 2]" 1 308 1 29 PHE HB2 1 30 ARG H . . 3.600 2.362 2.080 2.546 . 0 0 "[ . 1 . 2]" 1 309 1 30 ARG H 1 30 ARG HG3 . . 4.450 3.712 3.334 4.597 0.147 16 0 "[ . 1 . 2]" 1 310 1 111 ASN H 1 112 SER HA . . 4.860 4.721 4.125 4.873 0.013 13 0 "[ . 1 . 2]" 1 311 1 110 GLU HB3 1 111 ASN H . . 4.360 3.836 1.936 4.609 0.249 9 0 "[ . 1 . 2]" 1 312 1 10 TYR HB2 1 11 ARG H . . 3.660 2.647 2.461 2.798 . 0 0 "[ . 1 . 2]" 1 313 1 9 ASN H 1 9 ASN HD21 . . 5.180 4.478 2.572 5.187 0.007 1 0 "[ . 1 . 2]" 1 314 1 9 ASN H 1 10 TYR QD . . 4.700 3.433 2.720 4.538 . 0 0 "[ . 1 . 2]" 1 315 1 8 PRO QD 1 9 ASN H . . 4.690 4.566 2.250 4.699 0.009 13 0 "[ . 1 . 2]" 1 316 1 9 ASN H 1 9 ASN HB3 . . 4.170 3.464 2.699 3.981 . 0 0 "[ . 1 . 2]" 1 317 1 8 PRO HG3 1 9 ASN H . . 4.830 4.655 4.219 4.693 . 0 0 "[ . 1 . 2]" 1 318 1 34 LYS H 1 35 ASP H . . 4.070 2.041 1.806 2.543 . 0 0 "[ . 1 . 2]" 1 319 1 33 GLY HA2 1 35 ASP H . . 5.320 4.028 3.365 4.674 . 0 0 "[ . 1 . 2]" 1 320 1 2 SER QB 1 3 SER H . . 4.200 2.982 2.130 4.080 . 0 0 "[ . 1 . 2]" 1 321 1 92 TRP H 1 93 ASN H . . 5.010 4.574 4.271 4.665 . 0 0 "[ . 1 . 2]" 1 322 1 61 TYR QD 1 93 ASN H . . 4.530 3.084 2.479 3.893 . 0 0 "[ . 1 . 2]" 1 323 1 92 TRP HB2 1 93 ASN H . . 4.450 4.066 3.218 4.532 0.082 8 0 "[ . 1 . 2]" 1 324 1 5 SER HA 1 6 SER H . . 3.250 2.409 2.215 2.800 . 0 0 "[ . 1 . 2]" 1 325 1 6 SER H 1 6 SER QB . . 3.670 2.738 2.094 3.420 . 0 0 "[ . 1 . 2]" 1 326 1 129 SER HA 1 130 SER H . . 3.610 2.520 2.226 2.679 . 0 0 "[ . 1 . 2]" 1 327 1 129 SER QB 1 130 SER H . . 4.840 2.692 2.110 3.519 . 0 0 "[ . 1 . 2]" 1 328 1 47 VAL H 1 56 VAL H . . 3.740 2.736 2.478 3.125 . 0 0 "[ . 1 . 2]" 1 329 1 56 VAL H 1 57 ASP H . . 4.720 4.359 4.084 4.481 . 0 0 "[ . 1 . 2]" 1 330 1 55 VAL H 1 56 VAL H . . 3.190 2.604 2.232 2.746 . 0 0 "[ . 1 . 2]" 1 331 1 46 ARG HA 1 56 VAL H . . 4.900 4.390 4.149 4.724 . 0 0 "[ . 1 . 2]" 1 332 1 48 GLY QA 1 56 VAL H . . 4.730 4.049 3.858 4.235 . 0 0 "[ . 1 . 2]" 1 333 1 55 VAL HB 1 56 VAL H . . 3.540 3.204 2.726 4.350 0.810 10 5 "[ . +* . *-*2]" 1 334 1 47 VAL HB 1 56 VAL H . . 4.050 3.158 2.848 3.532 . 0 0 "[ . 1 . 2]" 1 335 1 56 VAL H 1 56 VAL HB . . 3.610 2.679 2.538 2.985 . 0 0 "[ . 1 . 2]" 1 336 1 49 LEU H 1 52 GLN H . . 5.240 4.398 3.916 5.061 . 0 0 "[ . 1 . 2]" 1 337 1 51 GLY H 1 52 GLN H . . 3.300 3.171 2.760 3.337 0.037 10 0 "[ . 1 . 2]" 1 338 1 50 LYS HA 1 52 GLN H . . 3.780 3.764 3.558 3.873 0.093 13 0 "[ . 1 . 2]" 1 339 1 52 GLN H 1 52 GLN QB . . 3.350 2.117 2.058 2.384 . 0 0 "[ . 1 . 2]" 1 340 1 28 SER H 1 29 PHE H . . 3.270 2.217 1.910 2.398 . 0 0 "[ . 1 . 2]" 1 341 1 29 PHE H 1 29 PHE QE . . 4.330 4.016 3.657 4.142 . 0 0 "[ . 1 . 2]" 1 342 1 27 VAL HA 1 29 PHE H . . 4.250 3.933 3.785 4.135 . 0 0 "[ . 1 . 2]" 1 343 1 29 PHE H 1 30 ARG HA . . 5.120 4.836 4.729 4.966 . 0 0 "[ . 1 . 2]" 1 344 1 29 PHE H 1 29 PHE HB3 . . 3.920 3.316 3.133 3.439 . 0 0 "[ . 1 . 2]" 1 345 1 27 VAL HB 1 29 PHE H . . 3.400 2.237 2.159 2.308 . 0 0 "[ . 1 . 2]" 1 346 1 42 ARG H 1 42 ARG HD3 . . 4.930 4.245 3.810 5.676 0.746 18 1 "[ . 1 . + 2]" 1 347 1 41 GLN HB2 1 42 ARG H . . 3.390 3.701 3.398 3.880 0.490 19 0 "[ . 1 . 2]" 1 348 1 42 ARG H 1 42 ARG HB2 . . 3.230 2.395 2.202 2.646 . 0 0 "[ . 1 . 2]" 1 349 1 42 ARG H 1 42 ARG HB3 . . 3.410 2.577 2.385 2.826 . 0 0 "[ . 1 . 2]" 1 350 1 41 GLN HB3 1 42 ARG H . . 3.820 2.434 1.925 4.144 0.324 11 0 "[ . 1 . 2]" 1 351 1 67 GLU H 1 69 SER H . . 4.870 3.992 3.627 4.775 . 0 0 "[ . 1 . 2]" 1 352 1 69 SER H 1 69 SER HG . . 3.900 2.991 2.259 3.937 0.037 10 0 "[ . 1 . 2]" 1 353 1 68 GLU HB3 1 69 SER H . . 4.590 4.307 4.043 4.520 . 0 0 "[ . 1 . 2]" 1 354 1 40 ILE MG 1 69 SER H . . 4.600 4.034 3.727 4.594 . 0 0 "[ . 1 . 2]" 1 355 1 68 GLU HB2 1 69 SER H . . 4.970 3.720 3.162 4.416 . 0 0 "[ . 1 . 2]" 1 356 1 66 VAL QG 1 69 SER H . . 4.950 4.177 3.993 4.520 . 0 0 "[ . 1 . 2]" 1 357 1 86 ILE HG13 1 87 ASN H . . 5.250 5.030 4.638 5.290 0.040 5 0 "[ . 1 . 2]" 1 358 1 86 ILE H 1 87 ASN H . . 3.710 2.519 2.196 3.030 . 0 0 "[ . 1 . 2]" 1 359 1 85 LYS HB3 1 87 ASN H . . 4.410 2.940 2.588 3.560 . 0 0 "[ . 1 . 2]" 1 360 1 85 LYS HB2 1 87 ASN H . . 5.240 3.973 3.203 4.889 . 0 0 "[ . 1 . 2]" 1 361 1 86 ILE HG12 1 87 ASN H . . 5.040 4.438 4.261 4.667 . 0 0 "[ . 1 . 2]" 1 362 1 13 THR H 1 14 GLN H . . 5.100 4.290 4.133 4.422 . 0 0 "[ . 1 . 2]" 1 363 1 13 THR HA 1 14 GLN H . . 3.300 2.816 2.540 3.043 . 0 0 "[ . 1 . 2]" 1 364 1 14 GLN H 1 14 GLN HG2 . . 3.890 2.950 2.611 3.784 . 0 0 "[ . 1 . 2]" 1 365 1 14 GLN H 1 14 GLN HG3 . . 4.550 3.874 2.735 4.484 . 0 0 "[ . 1 . 2]" 1 366 1 14 GLN H 1 15 THR H . . 5.110 4.315 4.211 4.357 . 0 0 "[ . 1 . 2]" 1 367 1 27 VAL H 1 28 SER H . . 4.780 4.448 4.385 4.524 . 0 0 "[ . 1 . 2]" 1 368 1 25 PHE QB 1 27 VAL H . . 4.610 3.969 3.600 4.189 . 0 0 "[ . 1 . 2]" 1 369 1 26 ARG QB 1 27 VAL H . . 4.500 3.911 3.764 3.994 . 0 0 "[ . 1 . 2]" 1 370 1 27 VAL H 1 27 VAL HB . . 4.180 3.694 3.583 3.765 . 0 0 "[ . 1 . 2]" 1 371 1 74 GLU H 1 77 LYS H . . 4.830 3.927 3.585 4.231 . 0 0 "[ . 1 . 2]" 1 372 1 75 ASP H 1 77 LYS H . . 5.220 4.748 4.495 5.012 . 0 0 "[ . 1 . 2]" 1 373 1 76 GLY H 1 77 LYS H . . 3.700 2.956 2.789 3.118 . 0 0 "[ . 1 . 2]" 1 374 1 77 LYS H 1 78 VAL H . . 2.850 1.887 1.767 2.161 . 0 0 "[ . 1 . 2]" 1 375 1 77 LYS H 1 77 LYS HB3 . . 3.850 3.519 3.200 3.752 . 0 0 "[ . 1 . 2]" 1 376 1 128 PRO HA 1 129 SER H . . 3.430 2.572 2.163 2.673 . 0 0 "[ . 1 . 2]" 1 377 1 122 ARG HB2 1 123 SER H . . 4.430 3.880 2.353 4.698 0.268 16 0 "[ . 1 . 2]" 1 378 1 122 ARG HB3 1 123 SER H . . 4.730 3.271 2.243 4.425 . 0 0 "[ . 1 . 2]" 1 379 1 122 ARG QG 1 123 SER H . . 5.090 3.465 2.109 4.259 . 0 0 "[ . 1 . 2]" 1 380 1 112 SER H 1 112 SER HB3 . . 4.070 3.476 2.696 4.064 . 0 0 "[ . 1 . 2]" 1 381 1 111 ASN HB3 1 112 SER H . . 4.790 3.793 2.611 4.594 . 0 0 "[ . 1 . 2]" 1 382 1 111 ASN HB2 1 112 SER H . . 4.940 4.199 2.446 4.723 . 0 0 "[ . 1 . 2]" 1 383 1 70 SER H 1 82 HIS HD2 . . 4.810 3.366 1.978 4.531 . 0 0 "[ . 1 . 2]" 1 384 1 70 SER H 1 81 VAL MG1 . . 4.560 3.944 3.425 4.509 . 0 0 "[ . 1 . 2]" 1 385 1 70 SER H 1 82 HIS HB3 . . 4.650 2.883 2.459 3.186 . 0 0 "[ . 1 . 2]" 1 386 1 36 VAL H 1 37 VAL H . . 4.560 4.476 4.393 4.554 . 0 0 "[ . 1 . 2]" 1 387 1 35 ASP H 1 36 VAL H . . 3.100 2.451 1.891 3.048 . 0 0 "[ . 1 . 2]" 1 388 1 35 ASP QB 1 36 VAL H . . 3.960 3.566 3.198 3.899 . 0 0 "[ . 1 . 2]" 1 389 1 36 VAL H 1 50 LYS HD2 . . 5.020 3.576 2.424 4.872 . 0 0 "[ . 1 . 2]" 1 390 1 36 VAL H 1 50 LYS HB2 . . 5.130 3.891 3.271 4.411 . 0 0 "[ . 1 . 2]" 1 391 1 36 VAL H 1 36 VAL QG . . 2.960 2.241 1.800 2.658 . 0 0 "[ . 1 . 2]" 1 392 1 36 VAL H 1 49 LEU QD . . 5.240 4.368 4.038 4.977 . 0 0 "[ . 1 . 2]" 1 393 1 67 GLU H 1 68 GLU H . . 3.550 2.695 2.491 2.906 . 0 0 "[ . 1 . 2]" 1 394 1 66 VAL H 1 68 GLU H . . 5.180 3.969 3.638 4.261 . 0 0 "[ . 1 . 2]" 1 395 1 68 GLU H 1 69 SER H . . 3.060 2.376 1.907 3.094 0.034 14 0 "[ . 1 . 2]" 1 396 1 68 GLU H 1 69 SER HB2 . . 5.000 4.446 3.917 5.787 0.787 4 3 "[- +. * 1 . 2]" 1 397 1 68 GLU H 1 68 GLU QG . . 3.770 2.862 2.547 3.044 . 0 0 "[ . 1 . 2]" 1 398 1 67 GLU HB2 1 68 GLU H . . 4.240 3.169 2.681 3.421 . 0 0 "[ . 1 . 2]" 1 399 1 65 LYS HB3 1 68 GLU H . . 4.140 3.127 2.764 3.437 . 0 0 "[ . 1 . 2]" 1 400 1 68 GLU H 1 68 GLU HB3 . . 3.580 3.625 3.559 3.736 0.156 18 0 "[ . 1 . 2]" 1 401 1 65 LYS HG2 1 68 GLU H . . 3.960 2.677 2.054 3.396 . 0 0 "[ . 1 . 2]" 1 402 1 64 VAL H 1 65 LYS H . . 5.260 4.330 4.198 4.529 . 0 0 "[ . 1 . 2]" 1 403 1 43 ARG HA 1 64 VAL H . . 4.830 3.751 2.555 4.260 . 0 0 "[ . 1 . 2]" 1 404 1 63 GLU HG3 1 64 VAL H . . 4.990 4.878 4.333 5.016 0.026 7 0 "[ . 1 . 2]" 1 405 1 42 ARG HG3 1 64 VAL H . . 4.380 2.737 2.351 3.327 . 0 0 "[ . 1 . 2]" 1 406 1 43 ARG HG3 1 64 VAL H . . 4.800 4.503 3.327 4.870 0.070 8 0 "[ . 1 . 2]" 1 407 1 113 LYS HB3 1 115 SER H . . 5.220 4.507 2.160 5.279 0.059 14 0 "[ . 1 . 2]" 1 408 1 114 LEU HB2 1 115 SER H . . 4.750 4.349 4.008 4.695 . 0 0 "[ . 1 . 2]" 1 409 1 113 LYS HB2 1 115 SER H . . 5.000 4.902 2.683 5.287 0.287 3 0 "[ . 1 . 2]" 1 410 1 114 LEU HB3 1 115 SER H . . 4.110 4.323 3.786 4.656 0.546 19 6 "[-* ** 1 .* +2]" 1 411 1 119 SER H 1 120 GLU H . . 3.900 3.514 1.879 4.011 0.111 17 0 "[ . 1 . 2]" 1 412 1 118 ASP HB2 1 119 SER H . . 4.360 3.941 2.230 4.356 . 0 0 "[ . 1 . 2]" 1 413 1 118 ASP HB3 1 119 SER H . . 4.320 3.562 2.181 4.318 . 0 0 "[ . 1 . 2]" 1 414 1 4 GLY QA 1 5 SER H . . 3.220 2.306 2.169 2.653 . 0 0 "[ . 1 . 2]" 1 415 1 28 SER H 1 29 PHE QE . . 4.910 3.570 2.730 3.993 . 0 0 "[ . 1 . 2]" 1 416 1 28 SER H 1 29 PHE QD . . 4.360 3.138 2.079 3.711 . 0 0 "[ . 1 . 2]" 1 417 1 70 SER H 1 71 TRP H . . 4.940 4.247 4.043 4.400 . 0 0 "[ . 1 . 2]" 1 418 1 71 TRP H 1 71 TRP HD1 . . 3.900 2.885 2.425 3.532 . 0 0 "[ . 1 . 2]" 1 419 1 40 ILE MD 1 71 TRP H . . 4.450 3.664 3.014 4.462 0.012 12 0 "[ . 1 . 2]" 1 420 1 103 ASN H 1 104 THR H . . 3.740 2.294 1.882 3.812 0.072 19 0 "[ . 1 . 2]" 1 421 1 103 ASN HB2 1 104 THR H . . 4.250 3.564 2.458 4.379 0.129 14 0 "[ . 1 . 2]" 1 422 1 103 ASN HB3 1 104 THR H . . 4.320 3.353 2.040 4.377 0.057 20 0 "[ . 1 . 2]" 1 423 1 104 THR H 1 104 THR MG . . 3.390 2.676 1.943 3.396 0.006 18 0 "[ . 1 . 2]" 1 424 1 88 LYS H 1 89 MET H . . 3.570 3.096 2.619 3.815 0.245 5 0 "[ . 1 . 2]" 1 425 1 89 MET H 1 90 GLU H . . 3.180 2.150 1.871 3.180 . 0 0 "[ . 1 . 2]" 1 426 1 89 MET H 1 89 MET HB2 . . 3.980 3.642 2.272 4.020 0.040 18 0 "[ . 1 . 2]" 1 427 1 89 MET H 1 89 MET HB3 . . 3.530 3.533 3.360 4.094 0.564 5 1 "[ + 1 . 2]" 1 428 1 88 LYS QB 1 89 MET H . . 4.640 3.992 3.431 4.136 . 0 0 "[ . 1 . 2]" 1 429 1 88 LYS QG 1 89 MET H . . 4.800 4.254 3.388 4.506 . 0 0 "[ . 1 . 2]" 1 430 1 96 VAL HB 1 98 SER H . . 4.290 2.719 2.535 4.305 0.015 15 0 "[ . 1 . 2]" 1 431 1 97 THR H 1 98 SER H . . 3.980 2.488 1.799 2.981 . 0 0 "[ . 1 . 2]" 1 432 1 97 THR HA 1 98 SER H . . 3.540 3.553 3.532 3.588 0.048 14 0 "[ . 1 . 2]" 1 433 1 121 THR H 1 121 THR HB . . 3.790 3.175 2.357 3.741 . 0 0 "[ . 1 . 2]" 1 434 1 120 GLU HB2 1 121 THR H . . 4.500 3.517 1.916 4.692 0.192 3 0 "[ . 1 . 2]" 1 435 1 120 GLU HB3 1 121 THR H . . 4.810 3.617 1.882 4.609 . 0 0 "[ . 1 . 2]" 1 436 1 62 ASN HD22 1 63 GLU H . . 4.640 3.823 2.605 4.617 . 0 0 "[ . 1 . 2]" 1 437 1 62 ASN HD21 1 63 GLU H . . 5.220 3.665 2.094 4.589 . 0 0 "[ . 1 . 2]" 1 438 1 62 ASN H 1 63 GLU H . . 4.920 4.276 3.982 4.389 . 0 0 "[ . 1 . 2]" 1 439 1 43 ARG HD2 1 63 GLU H . . 5.070 2.796 1.982 4.048 . 0 0 "[ . 1 . 2]" 1 440 1 63 GLU H 1 63 GLU HB2 . . 3.590 2.433 2.224 2.608 . 0 0 "[ . 1 . 2]" 1 441 1 43 ARG HG3 1 63 GLU H . . 4.880 3.421 2.794 4.035 . 0 0 "[ . 1 . 2]" 1 442 1 63 GLU H 1 64 VAL MG1 . . 5.350 4.651 4.391 4.889 . 0 0 "[ . 1 . 2]" 1 443 1 63 GLU H 1 64 VAL MG2 . . 5.270 5.279 5.174 5.429 0.159 14 0 "[ . 1 . 2]" 1 444 1 33 GLY H 1 34 LYS H . . 3.540 2.848 1.954 3.529 . 0 0 "[ . 1 . 2]" 1 445 1 34 LYS H 1 36 VAL H . . 4.590 3.480 2.485 4.174 . 0 0 "[ . 1 . 2]" 1 446 1 32 LYS HA 1 34 LYS H . . 4.670 4.225 3.850 4.768 0.098 13 0 "[ . 1 . 2]" 1 447 1 33 GLY HA3 1 34 LYS H . . 3.510 3.458 3.167 3.641 0.131 1 0 "[ . 1 . 2]" 1 448 1 34 LYS H 1 35 ASP QB . . 4.670 3.696 3.490 3.999 . 0 0 "[ . 1 . 2]" 1 449 1 32 LYS QB 1 34 LYS H . . 3.830 2.763 2.257 3.396 . 0 0 "[ . 1 . 2]" 1 450 1 34 LYS H 1 34 LYS QB . . 3.080 2.906 2.539 3.235 0.155 11 0 "[ . 1 . 2]" 1 451 1 34 LYS H 1 34 LYS HD3 . . 4.410 3.904 2.629 4.448 0.038 11 0 "[ . 1 . 2]" 1 452 1 34 LYS H 1 34 LYS QG . . 3.070 2.128 1.864 2.535 . 0 0 "[ . 1 . 2]" 1 453 1 34 LYS H 1 73 ILE MD . . 5.010 4.301 3.799 4.960 . 0 0 "[ . 1 . 2]" 1 454 1 50 LYS H 1 51 GLY H . . 4.770 4.565 4.483 4.612 . 0 0 "[ . 1 . 2]" 1 455 1 50 LYS HB3 1 51 GLY H . . 4.270 3.793 3.593 3.947 . 0 0 "[ . 1 . 2]" 1 456 1 50 LYS HB2 1 51 GLY H . . 4.440 4.521 4.440 4.600 0.160 16 0 "[ . 1 . 2]" 1 457 1 37 VAL H 1 48 GLY H . . 3.590 3.091 2.834 3.598 0.008 18 0 "[ . 1 . 2]" 1 458 1 48 GLY H 1 55 VAL H . . 4.960 4.639 4.115 5.000 0.040 6 0 "[ . 1 . 2]" 1 459 1 25 PHE HZ 1 48 GLY H . . 4.980 4.026 3.125 5.007 0.027 6 0 "[ . 1 . 2]" 1 460 1 48 GLY H 1 54 PRO HA . . 4.310 4.275 3.776 4.412 0.102 3 0 "[ . 1 . 2]" 1 461 1 37 VAL HA 1 48 GLY H . . 5.210 4.944 4.372 5.275 0.065 19 0 "[ . 1 . 2]" 1 462 1 47 VAL MG2 1 48 GLY H . . 3.800 3.916 3.745 4.169 0.369 18 0 "[ . 1 . 2]" 1 463 1 92 TRP HE3 1 94 ARG H . . 4.930 4.197 3.743 4.606 . 0 0 "[ . 1 . 2]" 1 464 1 61 TYR QE 1 94 ARG H . . 4.600 4.454 3.744 4.702 0.102 7 0 "[ . 1 . 2]" 1 465 1 12 TRP HH2 1 94 ARG H . . 4.580 3.609 2.747 4.534 . 0 0 "[ . 1 . 2]" 1 466 1 93 ASN H 1 94 ARG H . . 3.370 2.152 1.845 2.614 . 0 0 "[ . 1 . 2]" 1 467 1 92 TRP HB2 1 94 ARG H . . 3.820 3.812 2.981 4.010 0.190 8 0 "[ . 1 . 2]" 1 468 1 92 TRP HB3 1 94 ARG H . . 4.140 2.496 2.373 3.116 . 0 0 "[ . 1 . 2]" 1 469 1 94 ARG H 1 94 ARG HG3 . . 4.250 2.912 2.366 4.512 0.262 8 0 "[ . 1 . 2]" 1 470 1 12 TRP H 1 13 THR H . . 4.680 4.214 4.110 4.334 . 0 0 "[ . 1 . 2]" 1 471 1 13 THR H 1 20 ASP H . . 3.980 2.786 2.475 2.929 . 0 0 "[ . 1 . 2]" 1 472 1 12 TRP HE3 1 13 THR H . . 4.410 3.163 2.600 3.734 . 0 0 "[ . 1 . 2]" 1 473 1 13 THR H 1 19 LEU HA . . 5.220 4.684 4.352 4.965 . 0 0 "[ . 1 . 2]" 1 474 1 12 TRP QB 1 13 THR H . . 3.610 3.037 2.581 3.268 . 0 0 "[ . 1 . 2]" 1 475 1 13 THR H 1 21 LEU QD . . 4.990 4.675 4.466 4.838 . 0 0 "[ . 1 . 2]" 1 476 1 59 GLU H 1 97 THR H . . 4.660 3.899 3.202 4.683 0.023 8 0 "[ . 1 . 2]" 1 477 1 96 VAL H 1 97 THR H . . 5.150 4.403 3.635 4.551 . 0 0 "[ . 1 . 2]" 1 478 1 60 LEU HA 1 97 THR H . . 4.840 3.761 3.156 4.909 0.069 8 0 "[ . 1 . 2]" 1 479 1 43 ARG H 1 44 HIS HB3 . . 5.170 4.501 4.132 4.762 . 0 0 "[ . 1 . 2]" 1 480 1 42 ARG H 1 43 ARG H . . 3.650 2.837 2.434 3.105 . 0 0 "[ . 1 . 2]" 1 481 1 43 ARG H 1 44 HIS HB2 . . 4.760 3.580 3.365 3.871 . 0 0 "[ . 1 . 2]" 1 482 1 41 GLN HB2 1 43 ARG H . . 4.180 4.049 3.591 4.561 0.381 8 0 "[ . 1 . 2]" 1 483 1 42 ARG HG3 1 43 ARG H . . 3.810 3.814 3.666 3.905 0.095 18 0 "[ . 1 . 2]" 1 484 1 42 ARG HB3 1 43 ARG H . . 3.750 2.365 2.094 2.708 . 0 0 "[ . 1 . 2]" 1 485 1 41 GLN HB3 1 43 ARG H . . 4.040 2.979 2.567 4.153 0.113 8 0 "[ . 1 . 2]" 1 486 1 43 ARG H 1 43 ARG HB2 . . 3.740 2.766 2.515 3.135 . 0 0 "[ . 1 . 2]" 1 487 1 43 ARG H 1 66 VAL QG . . 4.560 4.307 4.232 4.439 . 0 0 "[ . 1 . 2]" 1 488 1 43 ARG H 1 64 VAL MG2 . . 5.290 4.444 4.186 4.806 . 0 0 "[ . 1 . 2]" 1 489 1 52 GLN QB 1 52 GLN HE21 . . 3.930 2.488 1.897 2.800 . 0 0 "[ . 1 . 2]" 1 490 1 52 GLN QB 1 52 GLN HE22 . . 4.460 3.383 3.213 3.624 . 0 0 "[ . 1 . 2]" 1 491 1 15 THR H 1 18 GLU H . . 3.710 2.989 2.473 3.715 0.005 1 0 "[ . 1 . 2]" 1 492 1 14 GLN HA 1 18 GLU H . . 5.220 4.659 4.195 5.153 . 0 0 "[ . 1 . 2]" 1 493 1 18 GLU H 1 18 GLU HB3 . . 3.980 3.190 2.614 3.736 . 0 0 "[ . 1 . 2]" 1 494 1 15 THR MG 1 17 ALA H . . 4.780 2.826 2.145 4.256 . 0 0 "[ . 1 . 2]" 1 495 1 16 LEU H 1 17 ALA H . . 3.640 2.754 2.584 2.917 . 0 0 "[ . 1 . 2]" 1 496 1 15 THR HA 1 17 ALA H . . 4.100 4.124 4.093 4.229 0.129 5 0 "[ . 1 . 2]" 1 497 1 16 LEU QB 1 17 ALA H . . 3.870 3.792 3.634 3.924 0.054 11 0 "[ . 1 . 2]" 1 498 1 17 ALA H 1 17 ALA MB . . 3.030 2.663 2.530 2.831 . 0 0 "[ . 1 . 2]" 1 499 1 16 LEU QD 1 17 ALA H . . 5.180 4.172 3.711 4.638 . 0 0 "[ . 1 . 2]" 1 500 1 10 TYR H 1 11 ARG H . . 4.760 4.445 4.289 4.640 . 0 0 "[ . 1 . 2]" 1 501 1 9 ASN H 1 10 TYR H . . 3.420 2.398 1.883 3.077 . 0 0 "[ . 1 . 2]" 1 502 1 10 TYR H 1 10 TYR QD . . 3.860 2.861 2.136 3.393 . 0 0 "[ . 1 . 2]" 1 503 1 9 ASN HB3 1 10 TYR H . . 4.760 3.699 2.454 4.544 . 0 0 "[ . 1 . 2]" 1 504 1 9 ASN HB2 1 10 TYR H . . 4.540 3.581 2.429 4.458 . 0 0 "[ . 1 . 2]" 1 505 1 8 PRO HB2 1 10 TYR H . . 5.040 2.990 2.347 3.645 . 0 0 "[ . 1 . 2]" 1 506 1 93 ASN H 1 93 ASN HD21 . . 5.150 4.671 3.480 5.001 . 0 0 "[ . 1 . 2]" 1 507 1 15 THR H 1 17 ALA H . . 3.770 2.474 2.325 2.649 . 0 0 "[ . 1 . 2]" 1 508 1 15 THR H 1 19 LEU HA . . 4.230 4.059 3.785 4.263 0.033 19 0 "[ . 1 . 2]" 1 509 1 14 GLN HB2 1 15 THR H . . 3.840 2.393 1.944 2.829 . 0 0 "[ . 1 . 2]" 1 510 1 14 GLN HB3 1 15 THR H . . 4.180 3.776 3.440 4.081 . 0 0 "[ . 1 . 2]" 1 511 1 126 SER QB 1 127 GLY H . . 4.320 3.076 1.991 3.846 . 0 0 "[ . 1 . 2]" 1 512 1 125 VAL QG 1 127 GLY H . . 5.130 4.465 3.672 5.006 . 0 0 "[ . 1 . 2]" 1 513 1 6 SER QB 1 7 GLY H . . 4.160 3.150 2.266 4.006 . 0 0 "[ . 1 . 2]" 1 514 1 61 TYR H 1 62 ASN H . . 3.910 2.632 2.397 2.821 . 0 0 "[ . 1 . 2]" 1 515 1 62 ASN H 1 92 TRP HZ3 . . 4.190 4.076 3.602 4.393 0.203 14 0 "[ . 1 . 2]" 1 516 1 62 ASN H 1 92 TRP HZ2 . . 4.210 3.246 2.357 4.117 . 0 0 "[ . 1 . 2]" 1 517 1 60 LEU HB2 1 62 ASN H . . 4.050 3.393 2.977 3.774 . 0 0 "[ . 1 . 2]" 1 518 1 62 ASN H 1 92 TRP HE3 . . 5.280 5.005 3.756 5.464 0.184 12 0 "[ . 1 . 2]" 1 519 1 62 ASN H 1 92 TRP HH2 . . 3.860 3.115 2.556 3.880 0.020 9 0 "[ . 1 . 2]" 1 520 1 61 TYR QD 1 62 ASN H . . 4.130 3.533 3.147 4.153 0.023 12 0 "[ . 1 . 2]" 1 521 1 60 LEU HA 1 62 ASN H . . 4.730 4.163 3.717 4.385 . 0 0 "[ . 1 . 2]" 1 522 1 60 LEU HB3 1 62 ASN H . . 3.810 2.625 2.336 2.867 . 0 0 "[ . 1 . 2]" 1 523 1 61 TYR HB3 1 62 ASN H . . 3.870 2.790 2.460 3.299 . 0 0 "[ . 1 . 2]" 1 524 1 60 LEU QD 1 62 ASN H . . 4.360 3.861 3.694 3.985 . 0 0 "[ . 1 . 2]" 1 525 1 33 GLY H 1 35 ASP H . . 5.160 4.305 2.413 5.089 . 0 0 "[ . 1 . 2]" 1 526 1 33 GLY H 1 71 TRP HH2 . . 5.210 4.985 4.494 5.238 0.028 9 0 "[ . 1 . 2]" 1 527 1 32 LYS QB 1 33 GLY H . . 3.380 2.359 1.903 2.764 . 0 0 "[ . 1 . 2]" 1 528 1 32 LYS HG2 1 33 GLY H . . 4.720 4.228 3.370 4.820 0.100 6 0 "[ . 1 . 2]" 1 529 1 32 LYS HG3 1 33 GLY H . . 4.750 4.514 3.325 4.762 0.012 16 0 "[ . 1 . 2]" 1 530 1 33 GLY H 1 34 LYS QG . . 4.830 4.017 3.398 4.684 . 0 0 "[ . 1 . 2]" 1 531 1 57 ASP H 1 58 GLY H . . 4.470 3.514 1.878 4.216 . 0 0 "[ . 1 . 2]" 1 532 1 58 GLY H 1 96 VAL QG . . 3.740 2.967 2.433 3.483 . 0 0 "[ . 1 . 2]" 1 533 1 58 GLY H 1 59 GLU H . . 4.830 4.300 4.115 4.531 . 0 0 "[ . 1 . 2]" 1 534 1 57 ASP HA 1 58 GLY H . . 3.040 2.330 2.254 2.904 . 0 0 "[ . 1 . 2]" 1 535 1 57 ASP QB 1 58 GLY H . . 4.620 3.878 2.992 4.107 . 0 0 "[ . 1 . 2]" 1 536 1 58 GLY H 1 96 VAL HB . . 4.840 4.491 4.019 4.854 0.014 10 0 "[ . 1 . 2]" 1 537 1 94 ARG HA 1 96 VAL H . . 5.070 4.542 4.165 5.075 0.005 7 0 "[ . 1 . 2]" 1 538 1 95 LEU HG 1 96 VAL H . . 4.650 4.545 3.935 4.880 0.230 19 0 "[ . 1 . 2]" 1 539 1 75 ASP H 1 76 GLY H . . 3.880 2.774 2.630 2.889 . 0 0 "[ . 1 . 2]" 1 540 1 76 GLY H 1 78 VAL H . . 4.830 4.301 3.955 4.539 . 0 0 "[ . 1 . 2]" 1 541 1 74 GLU HA 1 76 GLY H . . 4.880 3.293 3.147 3.407 . 0 0 "[ . 1 . 2]" 1 542 1 107 ILE H 1 108 ASN H . . 3.850 3.053 2.262 3.554 . 0 0 "[ . 1 . 2]" 1 543 1 110 GLU H 1 111 ASN H . . 3.770 3.725 2.994 3.963 0.193 5 0 "[ . 1 . 2]" 1 544 1 120 GLU H 1 121 THR H . . 4.010 3.976 3.525 4.269 0.259 16 0 "[ . 1 . 2]" 1 545 1 121 THR H 1 121 THR MG . . 4.020 2.562 1.980 3.913 . 0 0 "[ . 1 . 2]" 1 546 1 15 THR MG 1 16 LEU H . . 4.220 3.944 3.630 4.332 0.112 19 0 "[ . 1 . 2]" 1 547 1 101 GLU H 1 102 ILE H . . 3.700 2.675 1.891 3.875 0.175 20 0 "[ . 1 . 2]" 1 548 1 15 THR HA 1 16 LEU H . . 3.580 2.730 2.563 2.943 . 0 0 "[ . 1 . 2]" 1 549 1 45 LEU HB2 1 60 LEU QD . . 3.720 2.084 1.831 2.371 . 0 0 "[ . 1 . 2]" 1 550 1 45 LEU HB3 1 60 LEU QD . . 4.210 2.634 1.979 3.070 . 0 0 "[ . 1 . 2]" 1 551 1 31 LEU H 1 76 GLY HA3 . . 3.990 3.430 2.931 4.003 0.013 15 0 "[ . 1 . 2]" 1 552 1 31 LEU H 1 76 GLY HA2 . . 4.020 3.445 2.970 3.842 . 0 0 "[ . 1 . 2]" 1 553 1 30 ARG QB 1 76 GLY HA2 . . 4.240 4.210 4.016 4.314 0.074 14 0 "[ . 1 . 2]" 1 554 1 30 ARG HG2 1 76 GLY HA2 . . 4.430 3.919 2.808 4.539 0.109 10 0 "[ . 1 . 2]" 1 555 1 30 ARG HG3 1 76 GLY HA2 . . 4.540 4.068 2.413 4.568 0.028 13 0 "[ . 1 . 2]" 1 556 1 21 LEU HB3 1 95 LEU QD . . 4.580 4.152 3.765 4.501 . 0 0 "[ . 1 . 2]" 1 557 1 12 TRP QB 1 21 LEU HB2 . . 4.340 2.662 2.470 2.879 . 0 0 "[ . 1 . 2]" 1 558 1 21 LEU HB3 1 22 ALA H . . 4.510 4.237 4.142 4.325 . 0 0 "[ . 1 . 2]" 1 559 1 21 LEU H 1 21 LEU HB3 . . 3.530 2.686 2.550 2.822 . 0 0 "[ . 1 . 2]" 1 560 1 21 LEU HB3 1 81 VAL H . . 4.110 3.009 2.895 3.121 . 0 0 "[ . 1 . 2]" 1 561 1 12 TRP QB 1 21 LEU HB3 . . 4.490 4.150 3.906 4.384 . 0 0 "[ . 1 . 2]" 1 562 1 21 LEU HB3 1 81 VAL HB . . 3.400 1.990 1.967 2.082 . 0 0 "[ . 1 . 2]" 1 563 1 21 LEU HB3 1 81 VAL MG2 . . 4.210 3.516 3.289 3.652 . 0 0 "[ . 1 . 2]" 1 564 1 21 LEU H 1 21 LEU HB2 . . 3.770 3.471 3.348 3.622 . 0 0 "[ . 1 . 2]" 1 565 1 21 LEU HB2 1 22 ALA H . . 4.360 3.936 3.799 4.083 . 0 0 "[ . 1 . 2]" 1 566 1 21 LEU HB2 1 81 VAL H . . 4.470 4.527 4.456 4.612 0.142 11 0 "[ . 1 . 2]" 1 567 1 12 TRP HA 1 21 LEU HB2 . . 4.500 3.580 3.089 4.151 . 0 0 "[ . 1 . 2]" 1 568 1 21 LEU HB2 1 81 VAL HB . . 3.710 3.624 3.560 3.678 . 0 0 "[ . 1 . 2]" 1 569 1 21 LEU HB2 1 95 LEU QD . . 4.280 3.043 2.661 3.348 . 0 0 "[ . 1 . 2]" 1 570 1 32 LYS H 1 73 ILE MD . . 4.360 3.711 3.334 4.162 . 0 0 "[ . 1 . 2]" 1 571 1 33 GLY H 1 73 ILE MD . . 3.630 3.386 2.983 3.670 0.040 7 0 "[ . 1 . 2]" 1 572 1 71 TRP HH2 1 73 ILE MD . . 3.940 3.106 2.202 3.702 . 0 0 "[ . 1 . 2]" 1 573 1 71 TRP HZ3 1 73 ILE MD . . 3.310 2.517 2.145 2.857 . 0 0 "[ . 1 . 2]" 1 574 1 73 ILE HA 1 73 ILE MD . . 3.950 3.848 3.737 3.931 . 0 0 "[ . 1 . 2]" 1 575 1 32 LYS HA 1 73 ILE MD . . 3.350 2.926 2.411 3.392 0.042 13 0 "[ . 1 . 2]" 1 576 1 33 GLY HA2 1 73 ILE MD . . 3.280 2.490 2.068 2.815 . 0 0 "[ . 1 . 2]" 1 577 1 48 GLY QA 1 55 VAL H . . 3.750 2.532 2.176 2.828 . 0 0 "[ . 1 . 2]" 1 578 1 40 ILE MD 1 71 TRP HE1 . . 4.560 4.267 3.951 4.544 . 0 0 "[ . 1 . 2]" 1 579 1 40 ILE HA 1 40 ILE MD . . 4.100 3.815 3.749 3.905 . 0 0 "[ . 1 . 2]" 1 580 1 40 ILE MD 1 70 SER H . . 4.100 3.088 2.458 3.712 . 0 0 "[ . 1 . 2]" 1 581 1 40 ILE H 1 40 ILE MD . . 4.100 3.683 3.104 4.116 0.016 13 0 "[ . 1 . 2]" 1 582 1 40 ILE MD 1 71 TRP HD1 . . 3.290 2.282 1.988 2.627 . 0 0 "[ . 1 . 2]" 1 583 1 40 ILE MD 1 70 SER HA . . 3.780 3.257 2.523 3.718 . 0 0 "[ . 1 . 2]" 1 584 1 40 ILE MD 1 69 SER HB2 . . 3.750 2.971 2.002 3.382 . 0 0 "[ . 1 . 2]" 1 585 1 40 ILE MD 1 71 TRP HB3 . . 4.120 2.258 1.932 2.590 . 0 0 "[ . 1 . 2]" 1 586 1 40 ILE HB 1 40 ILE MD . . 3.070 2.293 2.152 2.409 . 0 0 "[ . 1 . 2]" 1 587 1 72 LEU HB3 1 72 LEU HG . . 3.030 2.646 2.315 3.001 . 0 0 "[ . 1 . 2]" 1 588 1 72 LEU HB2 1 73 ILE H . . 3.440 2.552 2.172 3.022 . 0 0 "[ . 1 . 2]" 1 589 1 72 LEU HB2 1 72 LEU HG . . 3.000 2.792 2.327 2.966 . 0 0 "[ . 1 . 2]" 1 590 1 19 LEU HB3 1 83 LEU QD . . 4.190 2.425 1.775 3.437 . 0 0 "[ . 1 . 2]" 1 591 1 19 LEU HB2 1 83 LEU QD . . 4.290 3.164 2.678 3.620 . 0 0 "[ . 1 . 2]" 1 592 1 58 GLY HA2 1 59 GLU H . . 3.300 2.405 2.264 2.555 . 0 0 "[ . 1 . 2]" 1 593 1 58 GLY HA2 1 59 GLU QB . . 4.590 4.153 4.117 4.186 . 0 0 "[ . 1 . 2]" 1 594 1 58 GLY HA2 1 59 GLU HA . . 4.750 4.275 4.264 4.295 . 0 0 "[ . 1 . 2]" 1 595 1 58 GLY HA2 1 96 VAL HB . . 4.330 3.926 3.572 4.814 0.484 15 0 "[ . 1 . 2]" 1 596 1 58 GLY HA3 1 59 GLU H . . 3.370 2.868 2.685 3.081 . 0 0 "[ . 1 . 2]" 1 597 1 58 GLY HA3 1 96 VAL HB . . 3.940 2.406 2.002 3.148 . 0 0 "[ . 1 . 2]" 1 598 1 19 LEU H 1 19 LEU HB3 . . 3.770 3.415 3.199 3.534 . 0 0 "[ . 1 . 2]" 1 599 1 14 GLN HB3 1 19 LEU HB3 . . 4.510 4.211 3.826 4.581 0.071 19 0 "[ . 1 . 2]" 1 600 1 19 LEU HB3 1 83 LEU HB2 . . 4.030 2.375 2.166 2.540 . 0 0 "[ . 1 . 2]" 1 601 1 19 LEU HB3 1 83 LEU HB3 . . 4.610 4.006 3.635 4.272 . 0 0 "[ . 1 . 2]" 1 602 1 14 GLN HB3 1 19 LEU HB2 . . 4.620 4.506 4.202 4.642 0.022 14 0 "[ . 1 . 2]" 1 603 1 19 LEU H 1 19 LEU HB2 . . 3.880 2.405 2.269 2.504 . 0 0 "[ . 1 . 2]" 1 604 1 19 LEU HB2 1 83 LEU HB2 . . 3.960 1.996 1.889 2.061 . 0 0 "[ . 1 . 2]" 1 605 1 102 ILE H 1 102 ILE MD . . 4.500 3.484 2.314 4.105 . 0 0 "[ . 1 . 2]" 1 606 1 102 ILE HA 1 102 ILE MD . . 3.840 3.887 3.799 4.094 0.254 3 0 "[ . 1 . 2]" 1 607 1 102 ILE HB 1 102 ILE MD . . 3.320 2.250 1.996 2.727 . 0 0 "[ . 1 . 2]" 1 608 1 107 ILE H 1 107 ILE MD . . 4.610 2.920 1.892 3.731 . 0 0 "[ . 1 . 2]" 1 609 1 106 LYS HA 1 107 ILE MD . . 4.520 4.147 3.412 4.785 0.265 10 0 "[ . 1 . 2]" 1 610 1 107 ILE HA 1 107 ILE MD . . 4.060 3.444 1.926 4.121 0.061 2 0 "[ . 1 . 2]" 1 611 1 60 LEU HB3 1 61 TYR H . . 4.310 2.584 2.384 3.135 . 0 0 "[ . 1 . 2]" 1 612 1 60 LEU HB3 1 92 TRP HZ3 . . 3.790 2.867 2.331 3.598 . 0 0 "[ . 1 . 2]" 1 613 1 60 LEU HB3 1 92 TRP HH2 . . 4.120 2.323 1.779 3.257 . 0 0 "[ . 1 . 2]" 1 614 1 60 LEU HB2 1 92 TRP HH2 . . 4.370 3.694 3.329 4.399 0.029 9 0 "[ . 1 . 2]" 1 615 1 43 ARG HA 1 60 LEU HB2 . . 3.930 2.335 2.014 2.698 . 0 0 "[ . 1 . 2]" 1 616 1 60 LEU H 1 60 LEU HB2 . . 3.710 2.387 2.257 2.547 . 0 0 "[ . 1 . 2]" 1 617 1 92 TRP HB3 1 94 ARG QD . . 4.410 4.172 3.539 4.522 0.112 15 0 "[ . 1 . 2]" 1 618 1 34 LYS QG 1 35 ASP QB . . 4.790 3.190 2.648 3.734 . 0 0 "[ . 1 . 2]" 1 619 1 35 ASP H 1 35 ASP QB . . 3.400 2.258 2.020 2.643 . 0 0 "[ . 1 . 2]" 1 620 1 94 ARG HB2 1 94 ARG QD . . 3.780 2.538 2.117 3.589 . 0 0 "[ . 1 . 2]" 1 621 1 94 ARG HB3 1 94 ARG QD . . 3.880 3.203 2.670 3.647 . 0 0 "[ . 1 . 2]" 1 622 1 94 ARG QD 1 97 THR HA . . 3.940 2.485 2.125 2.867 . 0 0 "[ . 1 . 2]" 1 623 1 31 LEU H 1 31 LEU HB2 . . 3.610 2.220 2.099 2.439 . 0 0 "[ . 1 . 2]" 1 624 1 31 LEU HB2 1 76 GLY HA2 . . 4.690 3.675 3.364 4.041 . 0 0 "[ . 1 . 2]" 1 625 1 31 LEU HB3 1 32 LYS H . . 4.140 3.337 3.005 3.670 . 0 0 "[ . 1 . 2]" 1 626 1 31 LEU H 1 31 LEU HB3 . . 3.960 3.477 3.411 3.534 . 0 0 "[ . 1 . 2]" 1 627 1 31 LEU HB3 1 35 ASP QB . . 4.560 4.199 3.144 4.587 0.027 3 0 "[ . 1 . 2]" 1 628 1 31 LEU HB3 1 31 LEU QD . . 3.250 2.133 2.025 2.401 . 0 0 "[ . 1 . 2]" 1 629 1 43 ARG HA 1 43 ARG HD3 . . 4.370 4.353 4.162 4.451 0.081 20 0 "[ . 1 . 2]" 1 630 1 42 ARG HA 1 42 ARG HD2 . . 3.970 3.103 2.423 4.191 0.221 18 0 "[ . 1 . 2]" 1 631 1 42 ARG HD2 1 66 VAL QG . . 4.470 3.496 2.801 4.433 . 0 0 "[ . 1 . 2]" 1 632 1 42 ARG HB2 1 42 ARG HD3 . . 3.230 2.317 1.979 3.560 0.330 18 0 "[ . 1 . 2]" 1 633 1 42 ARG HD3 1 66 VAL QG . . 4.640 2.733 2.085 4.333 . 0 0 "[ . 1 . 2]" 1 634 1 43 ARG HD3 1 63 GLU HG3 . . 4.430 3.194 1.987 3.912 . 0 0 "[ . 1 . 2]" 1 635 1 43 ARG HB3 1 43 ARG HD3 . . 3.510 2.612 2.371 2.848 . 0 0 "[ . 1 . 2]" 1 636 1 43 ARG HB2 1 43 ARG HD3 . . 3.260 2.343 2.123 2.609 . 0 0 "[ . 1 . 2]" 1 637 1 43 ARG HA 1 43 ARG HD2 . . 4.400 4.255 4.075 4.445 0.045 20 0 "[ . 1 . 2]" 1 638 1 20 ASP HB2 1 21 LEU H . . 4.170 4.376 4.261 4.481 0.311 11 0 "[ . 1 . 2]" 1 639 1 20 ASP H 1 20 ASP HB2 . . 3.930 2.325 2.156 2.774 . 0 0 "[ . 1 . 2]" 1 640 1 20 ASP HB3 1 21 LEU H . . 4.450 3.337 3.057 3.505 . 0 0 "[ . 1 . 2]" 1 641 1 13 THR H 1 20 ASP HB3 . . 4.590 3.066 2.507 3.661 . 0 0 "[ . 1 . 2]" 1 642 1 20 ASP H 1 20 ASP HB3 . . 3.750 3.318 3.030 3.835 0.085 19 0 "[ . 1 . 2]" 1 643 1 19 LEU HG 1 83 LEU HB2 . . 4.620 4.472 2.822 4.630 0.010 9 0 "[ . 1 . 2]" 1 644 1 19 LEU HB2 1 83 LEU HB3 . . 4.390 3.275 2.686 3.556 . 0 0 "[ . 1 . 2]" 1 645 1 26 ARG HA 1 26 ARG QD . . 4.100 3.293 2.357 4.208 0.108 11 0 "[ . 1 . 2]" 1 646 1 46 ARG QD 1 54 PRO HB3 . . 4.160 3.473 2.766 4.166 0.006 13 0 "[ . 1 . 2]" 1 647 1 11 ARG H 1 11 ARG QD . . 4.480 3.830 2.630 4.332 . 0 0 "[ . 1 . 2]" 1 648 1 11 ARG HB2 1 11 ARG QD . . 3.160 2.396 1.962 3.162 0.002 14 0 "[ . 1 . 2]" 1 649 1 30 ARG H 1 30 ARG HD2 . . 5.500 3.721 2.922 5.189 . 0 0 "[ . 1 . 2]" 1 650 1 30 ARG QB 1 30 ARG HD2 . . 3.380 2.518 1.977 3.167 . 0 0 "[ . 1 . 2]" 1 651 1 30 ARG H 1 30 ARG HD3 . . 5.500 4.165 2.896 5.375 . 0 0 "[ . 1 . 2]" 1 652 1 30 ARG QB 1 30 ARG HD3 . . 3.160 2.420 1.969 3.295 0.135 10 0 "[ . 1 . 2]" 1 653 1 86 ILE H 1 86 ILE MD . . 4.190 3.679 3.428 4.081 . 0 0 "[ . 1 . 2]" 1 654 1 64 VAL HA 1 86 ILE MD . . 4.480 3.387 2.898 4.296 . 0 0 "[ . 1 . 2]" 1 655 1 65 LYS HA 1 86 ILE MD . . 3.330 2.376 2.050 2.560 . 0 0 "[ . 1 . 2]" 1 656 1 42 ARG HD2 1 86 ILE MD . . 4.340 2.642 2.308 4.263 . 0 0 "[ . 1 . 2]" 1 657 1 42 ARG HD3 1 86 ILE MD . . 4.440 3.589 2.833 4.167 . 0 0 "[ . 1 . 2]" 1 658 1 63 GLU HB3 1 86 ILE MD . . 3.460 3.302 2.857 3.471 0.011 9 0 "[ . 1 . 2]" 1 659 1 66 VAL H 1 86 ILE MD . . 4.140 4.036 3.767 4.183 0.043 8 0 "[ . 1 . 2]" 1 660 1 42 ARG HE 1 86 ILE MD . . 4.310 2.986 2.035 4.347 0.037 7 0 "[ . 1 . 2]" 1 661 1 86 ILE HA 1 86 ILE MD . . 3.080 2.220 1.982 2.442 . 0 0 "[ . 1 . 2]" 1 662 1 65 LYS QE 1 86 ILE MD . . 4.390 3.984 3.674 4.138 . 0 0 "[ . 1 . 2]" 1 663 1 65 LYS HB3 1 86 ILE MD . . 3.940 3.732 3.512 3.957 0.017 10 0 "[ . 1 . 2]" 1 664 1 65 LYS HD2 1 86 ILE MD . . 3.240 2.419 2.145 2.650 . 0 0 "[ . 1 . 2]" 1 665 1 39 ASP HB2 1 46 ARG HB2 . . 4.160 3.445 3.164 3.972 . 0 0 "[ . 1 . 2]" 1 666 1 39 ASP H 1 39 ASP HB3 . . 3.560 2.913 2.135 3.456 . 0 0 "[ . 1 . 2]" 1 667 1 39 ASP HB3 1 40 ILE H . . 4.460 4.190 3.941 4.659 0.199 19 0 "[ . 1 . 2]" 1 668 1 39 ASP HB3 1 46 ARG H . . 4.110 3.096 2.192 4.076 . 0 0 "[ . 1 . 2]" 1 669 1 39 ASP HB3 1 46 ARG HB2 . . 3.880 2.840 2.341 3.913 0.033 8 0 "[ . 1 . 2]" 1 670 1 39 ASP HB3 1 46 ARG HB3 . . 3.490 2.410 1.898 3.277 . 0 0 "[ . 1 . 2]" 1 671 1 39 ASP H 1 39 ASP HB2 . . 3.600 2.341 2.133 3.085 . 0 0 "[ . 1 . 2]" 1 672 1 38 VAL HA 1 39 ASP HB2 . . 4.660 4.386 4.262 5.169 0.509 19 1 "[ . 1 . +2]" 1 673 1 39 ASP HB2 1 46 ARG QD . . 4.670 3.323 2.204 4.164 . 0 0 "[ . 1 . 2]" 1 674 1 39 ASP HB2 1 46 ARG HB3 . . 3.680 2.179 1.981 3.242 . 0 0 "[ . 1 . 2]" 1 675 1 88 LYS QB 1 88 LYS QE . . 3.930 2.734 1.892 3.691 . 0 0 "[ . 1 . 2]" 1 676 1 88 LYS QE 1 88 LYS QG . . 2.900 2.192 1.981 2.570 . 0 0 "[ . 1 . 2]" 1 677 1 77 LYS HB2 1 77 LYS QE . . 4.000 3.482 2.300 3.997 . 0 0 "[ . 1 . 2]" 1 678 1 34 LYS QB 1 34 LYS HE2 . . 4.270 3.583 2.172 4.162 . 0 0 "[ . 1 . 2]" 1 679 1 77 LYS QE 1 77 LYS HG3 . . 3.450 2.543 2.006 3.331 . 0 0 "[ . 1 . 2]" 1 680 1 77 LYS QE 1 77 LYS HG2 . . 3.500 2.533 2.020 3.273 . 0 0 "[ . 1 . 2]" 1 681 1 65 LYS QE 1 68 GLU QG . . 4.000 2.761 2.156 3.703 . 0 0 "[ . 1 . 2]" 1 682 1 65 LYS QE 1 67 GLU HB2 . . 4.000 3.292 2.515 3.760 . 0 0 "[ . 1 . 2]" 1 683 1 34 LYS QB 1 34 LYS HE3 . . 4.120 2.918 2.279 3.862 . 0 0 "[ . 1 . 2]" 1 684 1 34 LYS HE3 1 34 LYS QG . . 3.230 2.526 2.028 3.409 0.179 9 0 "[ . 1 . 2]" 1 685 1 65 LYS QE 1 65 LYS HG3 . . 3.420 2.499 2.353 2.674 . 0 0 "[ . 1 . 2]" 1 686 1 34 LYS HE2 1 34 LYS QG . . 3.700 2.603 2.091 3.210 . 0 0 "[ . 1 . 2]" 1 687 1 37 VAL QG 1 50 LYS HE2 . . 4.030 3.402 2.120 3.835 . 0 0 "[ . 1 . 2]" 1 688 1 37 VAL QG 1 50 LYS HE3 . . 4.040 3.154 1.925 3.817 . 0 0 "[ . 1 . 2]" 1 689 1 114 LEU H 1 114 LEU HB2 . . 3.690 3.061 2.388 3.750 0.060 19 0 "[ . 1 . 2]" 1 690 1 114 LEU HB2 1 114 LEU MD1 . . 3.630 2.218 1.965 3.201 . 0 0 "[ . 1 . 2]" 1 691 1 114 LEU H 1 114 LEU HB3 . . 3.800 3.260 2.266 3.729 . 0 0 "[ . 1 . 2]" 1 692 1 117 LEU H 1 117 LEU HB3 . . 3.730 2.901 2.148 3.705 . 0 0 "[ . 1 . 2]" 1 693 1 114 LEU HB3 1 114 LEU MD1 . . 3.500 2.868 2.227 3.210 . 0 0 "[ . 1 . 2]" 1 694 1 49 LEU H 1 49 LEU HB3 . . 3.850 3.583 3.491 3.679 . 0 0 "[ . 1 . 2]" 1 695 1 49 LEU HB3 1 52 GLN QG . . 4.020 3.927 3.573 4.019 . 0 0 "[ . 1 . 2]" 1 696 1 49 LEU HB3 1 52 GLN QB . . 4.140 3.052 2.567 3.825 . 0 0 "[ . 1 . 2]" 1 697 1 49 LEU HB3 1 49 LEU QD . . 3.190 2.162 2.046 2.406 . 0 0 "[ . 1 . 2]" 1 698 1 49 LEU HB2 1 49 LEU QD . . 3.100 2.225 2.019 2.399 . 0 0 "[ . 1 . 2]" 1 699 1 49 LEU HB2 1 50 LYS H . . 4.280 4.284 4.085 4.459 0.179 18 0 "[ . 1 . 2]" 1 700 1 95 LEU HB3 1 96 VAL H . . 3.750 2.416 2.218 2.603 . 0 0 "[ . 1 . 2]" 1 701 1 95 LEU HB2 1 96 VAL H . . 4.210 3.733 3.524 3.954 . 0 0 "[ . 1 . 2]" 1 702 1 32 LYS HA 1 32 LYS QE . . 4.450 3.861 2.574 4.476 0.026 3 0 "[ . 1 . 2]" 1 703 1 32 LYS QB 1 32 LYS QE . . 4.170 3.081 1.927 3.698 . 0 0 "[ . 1 . 2]" 1 704 1 32 LYS QE 1 32 LYS HG2 . . 3.380 2.488 1.989 3.337 . 0 0 "[ . 1 . 2]" 1 705 1 32 LYS QE 1 32 LYS HG3 . . 3.500 2.705 2.174 3.425 . 0 0 "[ . 1 . 2]" 1 706 1 85 LYS HE3 1 85 LYS HG3 . . 4.230 2.685 2.302 2.949 . 0 0 "[ . 1 . 2]" 1 707 1 19 LEU QD 1 85 LYS HE2 . . 3.480 2.285 1.853 3.091 . 0 0 "[ . 1 . 2]" 1 708 1 57 ASP QB 1 100 PRO HB3 . . 3.840 2.719 1.975 3.799 . 0 0 "[ . 1 . 2]" 1 709 1 54 PRO HG3 1 57 ASP QB . . 4.030 3.970 3.830 4.053 0.023 18 0 "[ . 1 . 2]" 1 710 1 16 LEU H 1 16 LEU QB . . 3.690 3.215 3.045 3.356 . 0 0 "[ . 1 . 2]" 1 711 1 99 ASP H 1 99 ASP QB . . 3.390 2.586 2.015 2.876 . 0 0 "[ . 1 . 2]" 1 712 1 62 ASN HB3 1 63 GLU H . . 4.130 3.386 2.260 4.422 0.292 7 0 "[ . 1 . 2]" 1 713 1 62 ASN HB3 1 62 ASN HD22 . . 4.010 3.758 3.445 4.153 0.143 15 0 "[ . 1 . 2]" 1 714 1 62 ASN HB3 1 92 TRP HZ2 . . 4.150 2.577 1.958 3.406 . 0 0 "[ . 1 . 2]" 1 715 1 61 TYR QD 1 62 ASN HB3 . . 4.170 3.312 2.264 4.153 . 0 0 "[ . 1 . 2]" 1 716 1 99 ASP QB 1 100 PRO HD2 . . 3.390 2.139 1.939 2.523 . 0 0 "[ . 1 . 2]" 1 717 1 62 ASN HB2 1 62 ASN HD22 . . 3.770 3.744 3.446 4.117 0.347 17 0 "[ . 1 . 2]" 1 718 1 62 ASN HB2 1 63 GLU H . . 4.400 4.032 3.692 4.442 0.042 20 0 "[ . 1 . 2]" 1 719 1 62 ASN HB2 1 92 TRP HZ2 . . 4.280 3.692 2.864 4.220 . 0 0 "[ . 1 . 2]" 1 720 1 61 TYR QE 1 62 ASN HB2 . . 4.590 3.653 3.126 4.668 0.078 12 0 "[ . 1 . 2]" 1 721 1 61 TYR QD 1 62 ASN HB2 . . 3.860 2.199 1.983 2.639 . 0 0 "[ . 1 . 2]" 1 722 1 29 PHE HB3 1 30 ARG H . . 3.670 3.610 3.418 3.709 0.039 11 0 "[ . 1 . 2]" 1 723 1 118 ASP H 1 118 ASP HB2 . . 3.520 3.137 2.409 3.667 0.147 15 0 "[ . 1 . 2]" 1 724 1 118 ASP H 1 118 ASP HB3 . . 3.660 3.128 2.366 3.591 . 0 0 "[ . 1 . 2]" 1 725 1 75 ASP HB3 1 76 GLY H . . 4.640 4.238 3.956 4.366 . 0 0 "[ . 1 . 2]" 1 726 1 75 ASP HB3 1 77 LYS H . . 4.390 4.082 3.723 4.483 0.093 17 0 "[ . 1 . 2]" 1 727 1 116 ASP H 1 116 ASP HB2 . . 3.700 2.603 2.091 3.216 . 0 0 "[ . 1 . 2]" 1 728 1 116 ASP H 1 116 ASP HB3 . . 3.810 3.391 2.847 3.808 . 0 0 "[ . 1 . 2]" 1 729 1 75 ASP H 1 75 ASP HB2 . . 3.770 3.192 3.050 3.449 . 0 0 "[ . 1 . 2]" 1 730 1 75 ASP HB2 1 76 GLY H . . 4.640 4.118 3.909 4.216 . 0 0 "[ . 1 . 2]" 1 731 1 75 ASP HB2 1 77 LYS H . . 4.480 4.013 3.421 4.506 0.026 10 0 "[ . 1 . 2]" 1 732 1 74 GLU QB 1 75 ASP HB2 . . 4.530 3.227 3.097 3.518 . 0 0 "[ . 1 . 2]" 1 733 1 75 ASP H 1 75 ASP HB3 . . 3.970 4.021 3.980 4.079 0.109 9 0 "[ . 1 . 2]" 1 734 1 75 ASP HB3 1 78 VAL QG . . 4.570 4.087 2.921 4.497 . 0 0 "[ . 1 . 2]" 1 735 1 75 ASP HB3 1 77 LYS HD3 . . 4.700 3.058 1.992 4.303 . 0 0 "[ . 1 . 2]" 1 736 1 75 ASP HB3 1 77 LYS HG2 . . 4.380 2.094 1.933 2.562 . 0 0 "[ . 1 . 2]" 1 737 1 75 ASP HB2 1 77 LYS HG2 . . 4.600 2.686 2.006 4.265 . 0 0 "[ . 1 . 2]" 1 738 1 10 TYR HB3 1 23 VAL HA . . 4.470 3.215 2.949 3.592 . 0 0 "[ . 1 . 2]" 1 739 1 10 TYR HB3 1 23 VAL MG2 . . 3.910 2.453 1.941 2.934 . 0 0 "[ . 1 . 2]" 1 740 1 10 TYR HB3 1 11 ARG H . . 3.860 3.867 3.806 3.919 0.059 7 0 "[ . 1 . 2]" 1 741 1 10 TYR HB2 1 23 VAL MG1 . . 4.440 3.470 3.033 4.308 . 0 0 "[ . 1 . 2]" 1 742 1 13 THR HB 1 14 GLN H . . 3.200 2.235 2.013 3.439 0.239 1 0 "[ . 1 . 2]" 1 743 1 61 TYR HB2 1 92 TRP HE3 . . 4.440 3.327 2.602 3.830 . 0 0 "[ . 1 . 2]" 1 744 1 61 TYR H 1 61 TYR HB2 . . 3.670 2.376 2.070 2.559 . 0 0 "[ . 1 . 2]" 1 745 1 61 TYR HB2 1 94 ARG H . . 4.570 3.757 3.171 4.693 0.123 15 0 "[ . 1 . 2]" 1 746 1 61 TYR HB2 1 62 ASN H . . 4.310 3.998 3.684 4.325 0.015 14 0 "[ . 1 . 2]" 1 747 1 61 TYR H 1 61 TYR HB3 . . 3.760 2.283 2.117 2.621 . 0 0 "[ . 1 . 2]" 1 748 1 61 TYR QE 1 93 ASN QB . . 3.980 2.784 2.082 3.648 . 0 0 "[ . 1 . 2]" 1 749 1 93 ASN H 1 93 ASN QB . . 3.370 2.251 2.029 2.467 . 0 0 "[ . 1 . 2]" 1 750 1 92 TRP HA 1 93 ASN QB . . 4.460 4.032 3.949 4.157 . 0 0 "[ . 1 . 2]" 1 751 1 93 ASN QB 1 94 ARG H . . 3.960 3.294 2.963 3.631 . 0 0 "[ . 1 . 2]" 1 752 1 93 ASN QB 1 93 ASN HD21 . . 3.190 2.215 2.080 2.403 . 0 0 "[ . 1 . 2]" 1 753 1 102 ILE H 1 102 ILE HB . . 3.400 2.860 2.419 3.539 0.139 16 0 "[ . 1 . 2]" 1 754 1 108 ASN H 1 108 ASN QB . . 3.320 2.635 2.052 3.010 . 0 0 "[ . 1 . 2]" 1 755 1 111 ASN H 1 111 ASN HB2 . . 3.860 3.147 2.298 3.862 0.002 8 0 "[ . 1 . 2]" 1 756 1 103 ASN HB2 1 103 ASN HD22 . . 4.060 3.658 3.445 4.099 0.039 7 0 "[ . 1 . 2]" 1 757 1 108 ASN QB 1 109 PRO HD2 . . 4.080 2.820 1.992 3.591 . 0 0 "[ . 1 . 2]" 1 758 1 111 ASN H 1 111 ASN HB3 . . 3.810 3.246 2.508 3.787 . 0 0 "[ . 1 . 2]" 1 759 1 103 ASN HB3 1 103 ASN HD21 . . 3.480 2.886 2.104 3.547 0.067 19 0 "[ . 1 . 2]" 1 760 1 40 ILE H 1 40 ILE HB . . 3.450 2.368 2.213 2.479 . 0 0 "[ . 1 . 2]" 1 761 1 39 ASP HA 1 40 ILE HB . . 4.800 4.614 4.469 4.799 . 0 0 "[ . 1 . 2]" 1 762 1 107 ILE HB 1 108 ASN H . . 4.160 2.347 1.968 4.031 . 0 0 "[ . 1 . 2]" 1 763 1 107 ILE HB 1 108 ASN QB . . 4.020 3.647 3.238 3.938 . 0 0 "[ . 1 . 2]" 1 764 1 9 ASN H 1 9 ASN HB2 . . 3.670 2.601 2.054 3.272 . 0 0 "[ . 1 . 2]" 1 765 1 9 ASN HB2 1 9 ASN HD21 . . 3.590 2.573 2.102 3.565 . 0 0 "[ . 1 . 2]" 1 766 1 9 ASN HB2 1 10 TYR QD . . 4.190 3.288 2.068 4.423 0.233 12 0 "[ . 1 . 2]" 1 767 1 80 THR H 1 80 THR HB . . 3.800 3.491 3.064 3.609 . 0 0 "[ . 1 . 2]" 1 768 1 80 THR HB 1 81 VAL H . . 3.460 3.221 2.867 3.467 0.007 19 0 "[ . 1 . 2]" 1 769 1 22 ALA HA 1 80 THR HB . . 4.350 4.324 3.895 4.537 0.187 19 0 "[ . 1 . 2]" 1 770 1 72 LEU HG 1 80 THR HB . . 4.680 4.123 3.293 4.742 0.062 3 0 "[ . 1 . 2]" 1 771 1 22 ALA MB 1 80 THR HB . . 4.660 4.172 3.857 4.521 . 0 0 "[ . 1 . 2]" 1 772 1 72 LEU QD 1 80 THR HB . . 3.940 3.056 1.903 3.817 . 0 0 "[ . 1 . 2]" 1 773 1 104 THR HB 1 105 LYS H . . 3.720 3.166 2.152 3.737 0.017 13 0 "[ . 1 . 2]" 1 774 1 104 THR H 1 104 THR HB . . 3.710 3.489 2.905 3.776 0.066 16 0 "[ . 1 . 2]" 1 775 1 121 THR HB 1 122 ARG H . . 4.070 3.882 2.296 4.081 0.011 18 0 "[ . 1 . 2]" 1 776 1 63 GLU H 1 63 GLU HG3 . . 3.330 2.238 1.948 2.696 . 0 0 "[ . 1 . 2]" 1 777 1 63 GLU HA 1 63 GLU HG3 . . 3.840 2.856 2.329 3.104 . 0 0 "[ . 1 . 2]" 1 778 1 62 ASN HA 1 63 GLU HG3 . . 4.410 4.112 3.946 4.397 . 0 0 "[ . 1 . 2]" 1 779 1 43 ARG HD2 1 63 GLU HG3 . . 4.240 2.293 1.992 2.787 . 0 0 "[ . 1 . 2]" 1 780 1 42 ARG HG2 1 63 GLU HG3 . . 4.220 4.161 3.667 4.269 0.049 7 0 "[ . 1 . 2]" 1 781 1 43 ARG HB2 1 63 GLU HG3 . . 4.010 3.522 2.406 3.937 . 0 0 "[ . 1 . 2]" 1 782 1 63 GLU HG2 1 64 VAL H . . 4.390 4.093 3.579 4.444 0.054 14 0 "[ . 1 . 2]" 1 783 1 63 GLU H 1 63 GLU HG2 . . 3.670 3.446 3.218 3.698 0.028 9 0 "[ . 1 . 2]" 1 784 1 63 GLU HA 1 63 GLU HG2 . . 3.610 2.492 2.213 3.258 . 0 0 "[ . 1 . 2]" 1 785 1 43 ARG HD2 1 63 GLU HG2 . . 4.240 3.153 2.695 3.803 . 0 0 "[ . 1 . 2]" 1 786 1 42 ARG HG2 1 63 GLU HG2 . . 3.950 2.573 2.033 2.957 . 0 0 "[ . 1 . 2]" 1 787 1 43 ARG HB2 1 63 GLU HG2 . . 3.620 2.674 2.037 3.226 . 0 0 "[ . 1 . 2]" 1 788 1 97 THR H 1 97 THR HB . . 3.850 3.539 3.481 3.914 0.064 8 0 "[ . 1 . 2]" 1 789 1 97 THR HB 1 98 SER H . . 3.960 3.969 3.763 4.080 0.120 11 0 "[ . 1 . 2]" 1 790 1 97 THR HA 1 97 THR HB . . 3.020 2.505 2.416 2.545 . 0 0 "[ . 1 . 2]" 1 791 1 94 ARG QD 1 97 THR HB . . 4.680 4.435 3.770 4.681 0.001 15 0 "[ . 1 . 2]" 1 792 1 59 GLU QB 1 97 THR HB . . 4.450 4.317 3.846 4.499 0.049 9 0 "[ . 1 . 2]" 1 793 1 87 ASN H 1 87 ASN HB2 . . 3.850 2.553 2.124 3.585 . 0 0 "[ . 1 . 2]" 1 794 1 87 ASN H 1 87 ASN HB3 . . 3.810 3.327 2.926 3.754 . 0 0 "[ . 1 . 2]" 1 795 1 87 ASN HB3 1 87 ASN HD22 . . 4.090 3.696 3.447 4.087 . 0 0 "[ . 1 . 2]" 1 796 1 67 GLU H 1 67 GLU HG2 . . 3.890 3.468 2.860 3.859 . 0 0 "[ . 1 . 2]" 1 797 1 77 LYS H 1 77 LYS HB2 . . 3.930 3.862 3.737 4.017 0.087 1 0 "[ . 1 . 2]" 1 798 1 77 LYS HB2 1 77 LYS HD2 . . 3.780 2.754 2.122 3.652 . 0 0 "[ . 1 . 2]" 1 799 1 77 LYS HB2 1 78 VAL QG . . 3.920 3.113 2.669 3.840 . 0 0 "[ . 1 . 2]" 1 800 1 77 LYS HB3 1 77 LYS QE . . 4.520 3.661 2.033 4.386 . 0 0 "[ . 1 . 2]" 1 801 1 67 GLU HA 1 67 GLU HG2 . . 3.540 2.298 2.003 2.970 . 0 0 "[ . 1 . 2]" 1 802 1 67 GLU H 1 67 GLU HG3 . . 3.910 2.825 2.073 3.843 . 0 0 "[ . 1 . 2]" 1 803 1 90 GLU HG2 1 91 TRP H . . 4.230 3.890 3.033 4.321 0.091 9 0 "[ . 1 . 2]" 1 804 1 90 GLU HG2 1 92 TRP HD1 . . 4.140 3.230 2.213 3.780 . 0 0 "[ . 1 . 2]" 1 805 1 65 LYS HG3 1 68 GLU QG . . 4.480 3.660 3.517 3.985 . 0 0 "[ . 1 . 2]" 1 806 1 90 GLU HG3 1 91 TRP H . . 4.330 2.801 2.124 4.190 . 0 0 "[ . 1 . 2]" 1 807 1 90 GLU HG3 1 92 TRP HD1 . . 3.830 3.422 2.609 4.038 0.208 4 0 "[ . 1 . 2]" 1 808 1 68 GLU HA 1 68 GLU QG . . 3.330 2.279 2.191 2.350 . 0 0 "[ . 1 . 2]" 1 809 1 65 LYS HD3 1 68 GLU QG . . 4.560 3.201 2.804 3.685 . 0 0 "[ . 1 . 2]" 1 810 1 86 ILE HB 1 87 ASN H . . 3.760 2.852 2.333 3.274 . 0 0 "[ . 1 . 2]" 1 811 1 86 ILE H 1 86 ILE HB . . 3.500 2.334 2.251 2.408 . 0 0 "[ . 1 . 2]" 1 812 1 63 GLU HB3 1 86 ILE HB . . 4.490 4.132 3.617 4.479 . 0 0 "[ . 1 . 2]" 1 813 1 63 GLU HB2 1 86 ILE HB . . 3.800 3.330 2.636 3.761 . 0 0 "[ . 1 . 2]" 1 814 1 66 VAL HA 1 69 SER H . . 4.110 3.156 2.566 4.132 0.022 17 0 "[ . 1 . 2]" 1 815 1 66 VAL HA 1 68 GLU H . . 4.410 3.813 3.447 4.380 . 0 0 "[ . 1 . 2]" 1 816 1 66 VAL HA 1 69 SER HG . . 4.290 3.016 1.991 4.314 0.024 4 0 "[ . 1 . 2]" 1 817 1 66 VAL HA 1 69 SER HB3 . . 4.120 3.243 1.956 3.848 . 0 0 "[ . 1 . 2]" 1 818 1 66 VAL HA 1 69 SER HB2 . . 3.610 2.397 1.976 3.489 . 0 0 "[ . 1 . 2]" 1 819 1 66 VAL HA 1 66 VAL QG . . 2.900 2.377 2.056 2.460 . 0 0 "[ . 1 . 2]" 1 820 1 40 ILE MG 1 66 VAL HA . . 3.450 2.414 2.205 3.089 . 0 0 "[ . 1 . 2]" 1 821 1 101 GLU H 1 101 GLU HG2 . . 3.850 3.117 1.944 3.943 0.093 10 0 "[ . 1 . 2]" 1 822 1 101 GLU HG2 1 102 ILE H . . 4.610 3.954 2.010 4.837 0.227 3 0 "[ . 1 . 2]" 1 823 1 101 GLU HA 1 101 GLU HG2 . . 3.810 2.727 2.023 3.787 . 0 0 "[ . 1 . 2]" 1 824 1 101 GLU H 1 101 GLU HG3 . . 3.950 3.369 1.947 3.960 0.010 20 0 "[ . 1 . 2]" 1 825 1 96 VAL HB 1 97 THR H . . 3.500 2.849 1.775 4.048 0.548 15 1 "[ . 1 + 2]" 1 826 1 27 VAL HB 1 28 SER H . . 3.270 2.493 2.061 2.743 . 0 0 "[ . 1 . 2]" 1 827 1 27 VAL HB 1 29 PHE QE . . 4.170 3.108 2.728 3.338 . 0 0 "[ . 1 . 2]" 1 828 1 74 GLU H 1 74 GLU HG3 . . 4.050 3.487 2.935 3.889 . 0 0 "[ . 1 . 2]" 1 829 1 74 GLU HA 1 74 GLU HG3 . . 3.900 3.362 3.220 3.473 . 0 0 "[ . 1 . 2]" 1 830 1 72 LEU QD 1 74 GLU HG3 . . 3.780 2.923 2.354 3.283 . 0 0 "[ . 1 . 2]" 1 831 1 74 GLU HG2 1 75 ASP H . . 4.170 3.883 3.577 4.114 . 0 0 "[ . 1 . 2]" 1 832 1 74 GLU H 1 74 GLU HG2 . . 3.730 3.491 3.149 3.778 0.048 15 0 "[ . 1 . 2]" 1 833 1 32 LYS QB 1 33 GLY HA3 . . 4.790 4.264 4.087 4.497 . 0 0 "[ . 1 . 2]" 1 834 1 21 LEU H 1 81 VAL HB . . 4.380 3.795 3.570 4.051 . 0 0 "[ . 1 . 2]" 1 835 1 81 VAL H 1 81 VAL HB . . 3.770 2.628 2.488 2.769 . 0 0 "[ . 1 . 2]" 1 836 1 21 LEU HG 1 81 VAL HB . . 4.480 3.076 2.807 3.345 . 0 0 "[ . 1 . 2]" 1 837 1 32 LYS QB 1 35 ASP QB . . 4.520 3.466 2.102 4.331 . 0 0 "[ . 1 . 2]" 1 838 1 32 LYS QB 1 34 LYS QG . . 3.910 2.464 2.129 3.694 . 0 0 "[ . 1 . 2]" 1 839 1 36 VAL HB 1 37 VAL H . . 3.390 3.440 3.280 3.559 0.169 6 0 "[ . 1 . 2]" 1 840 1 36 VAL H 1 36 VAL HB . . 3.450 3.058 2.512 3.621 0.171 10 0 "[ . 1 . 2]" 1 841 1 36 VAL HB 1 71 TRP HH2 . . 4.080 3.145 1.989 4.229 0.149 9 0 "[ . 1 . 2]" 1 842 1 36 VAL HB 1 71 TRP HZ3 . . 4.560 3.717 2.670 4.485 . 0 0 "[ . 1 . 2]" 1 843 1 43 ARG HD3 1 59 GLU HG3 . . 4.510 4.169 3.331 4.507 . 0 0 "[ . 1 . 2]" 1 844 1 43 ARG HE 1 59 GLU HG2 . . 4.600 2.982 2.332 4.073 . 0 0 "[ . 1 . 2]" 1 845 1 64 VAL HB 1 65 LYS H . . 3.370 3.183 2.916 3.371 0.001 15 0 "[ . 1 . 2]" 1 846 1 59 GLU HG3 1 60 LEU H . . 3.850 3.207 2.499 3.685 . 0 0 "[ . 1 . 2]" 1 847 1 43 ARG HG3 1 59 GLU HG3 . . 4.520 4.180 3.682 4.556 0.036 14 0 "[ . 1 . 2]" 1 848 1 59 GLU H 1 59 GLU HG3 . . 4.470 4.472 4.405 4.520 0.050 14 0 "[ . 1 . 2]" 1 849 1 59 GLU HA 1 59 GLU HG3 . . 3.660 2.605 2.486 2.841 . 0 0 "[ . 1 . 2]" 1 850 1 43 ARG HG2 1 59 GLU HG3 . . 3.980 2.515 1.981 2.949 . 0 0 "[ . 1 . 2]" 1 851 1 59 GLU HG3 1 97 THR MG . . 4.580 4.315 3.546 4.584 0.004 4 0 "[ . 1 . 2]" 1 852 1 59 GLU HA 1 59 GLU HG2 . . 3.920 3.204 2.720 3.487 . 0 0 "[ . 1 . 2]" 1 853 1 59 GLU H 1 59 GLU HG2 . . 4.360 4.335 4.201 4.419 0.059 8 0 "[ . 1 . 2]" 1 854 1 59 GLU HG2 1 60 LEU H . . 4.020 3.360 2.062 4.011 . 0 0 "[ . 1 . 2]" 1 855 1 43 ARG HG2 1 59 GLU HG2 . . 4.220 2.681 1.960 3.466 . 0 0 "[ . 1 . 2]" 1 856 1 46 ARG HA 1 56 VAL HB . . 4.580 3.476 3.034 3.939 . 0 0 "[ . 1 . 2]" 1 857 1 47 VAL HB 1 56 VAL HB . . 3.340 2.107 1.942 2.263 . 0 0 "[ . 1 . 2]" 1 858 1 46 ARG H 1 46 ARG HB2 . . 4.080 2.911 2.603 3.325 . 0 0 "[ . 1 . 2]" 1 859 1 39 ASP H 1 46 ARG HB3 . . 4.140 2.737 2.419 3.128 . 0 0 "[ . 1 . 2]" 1 860 1 85 LYS HB2 1 86 ILE H . . 4.680 4.019 3.660 4.340 . 0 0 "[ . 1 . 2]" 1 861 1 85 LYS HB2 1 85 LYS HD2 . . 4.090 2.546 2.291 2.735 . 0 0 "[ . 1 . 2]" 1 862 1 17 ALA HA 1 85 LYS HB2 . . 4.660 3.277 2.330 4.089 . 0 0 "[ . 1 . 2]" 1 863 1 39 ASP H 1 46 ARG HB2 . . 4.210 4.138 3.775 4.312 0.102 6 0 "[ . 1 . 2]" 1 864 1 46 ARG HB2 1 46 ARG HE . . 4.600 2.893 1.948 3.999 . 0 0 "[ . 1 . 2]" 1 865 1 46 ARG HB2 1 46 ARG QD . . 3.920 2.845 2.397 3.139 . 0 0 "[ . 1 . 2]" 1 866 1 90 GLU HB2 1 91 TRP H . . 4.830 3.505 1.943 4.540 . 0 0 "[ . 1 . 2]" 1 867 1 90 GLU HB3 1 91 TRP H . . 4.530 4.042 3.357 4.579 0.049 5 0 "[ . 1 . 2]" 1 868 1 11 ARG HB2 1 22 ALA MB . . 4.270 3.473 2.167 4.281 0.011 19 0 "[ . 1 . 2]" 1 869 1 11 ARG HB2 1 12 TRP H . . 3.650 3.356 2.726 4.028 0.378 3 0 "[ . 1 . 2]" 1 870 1 11 ARG H 1 11 ARG HB3 . . 3.590 3.196 2.708 3.655 0.065 6 0 "[ . 1 . 2]" 1 871 1 11 ARG HB3 1 11 ARG QD . . 3.870 2.707 1.963 3.219 . 0 0 "[ . 1 . 2]" 1 872 1 11 ARG HB3 1 22 ALA MB . . 4.150 4.081 3.588 4.264 0.114 6 0 "[ . 1 . 2]" 1 873 1 37 VAL HB 1 48 GLY H . . 3.790 3.851 3.071 4.655 0.865 20 5 "[ .* 1 * .* - +]" 1 874 1 37 VAL H 1 37 VAL HB . . 3.310 2.951 2.632 3.806 0.496 16 0 "[ . 1 . 2]" 1 875 1 37 VAL HB 1 38 VAL H . . 4.530 4.390 3.841 4.593 0.063 17 0 "[ . 1 . 2]" 1 876 1 36 VAL HA 1 37 VAL HB . . 4.620 4.505 4.216 5.223 0.603 13 2 "[ . 1 + .- 2]" 1 877 1 84 GLU QG 1 85 LYS H . . 4.050 3.120 2.403 3.882 . 0 0 "[ . 1 . 2]" 1 878 1 84 GLU H 1 84 GLU QG . . 4.220 4.033 3.624 4.188 . 0 0 "[ . 1 . 2]" 1 879 1 70 SER QB 1 71 TRP H . . 3.140 2.845 1.990 3.170 0.030 10 0 "[ . 1 . 2]" 1 880 1 40 ILE MD 1 70 SER QB . . 4.750 4.523 3.972 4.817 0.067 8 0 "[ . 1 . 2]" 1 881 1 41 GLN H 1 41 GLN HG2 . . 4.100 3.524 3.231 4.249 0.149 6 0 "[ . 1 . 2]" 1 882 1 41 GLN HG2 1 42 ARG H . . 4.330 4.188 2.840 4.381 0.051 12 0 "[ . 1 . 2]" 1 883 1 41 GLN HA 1 41 GLN HG2 . . 3.560 2.721 2.359 3.686 0.126 11 0 "[ . 1 . 2]" 1 884 1 41 GLN HG2 1 44 HIS HB3 . . 4.470 4.094 2.951 4.484 0.014 15 0 "[ . 1 . 2]" 1 885 1 41 GLN H 1 41 GLN HG3 . . 4.200 4.165 3.127 4.456 0.256 8 0 "[ . 1 . 2]" 1 886 1 41 GLN HG3 1 42 ARG H . . 4.320 4.051 1.831 4.401 0.081 14 0 "[ . 1 . 2]" 1 887 1 41 GLN HA 1 41 GLN HG3 . . 3.570 3.385 2.302 3.634 0.064 14 0 "[ . 1 . 2]" 1 888 1 41 GLN HG3 1 44 HIS HB3 . . 4.660 3.537 3.179 4.505 . 0 0 "[ . 1 . 2]" 1 889 1 43 ARG H 1 43 ARG HB3 . . 3.900 3.056 2.835 3.174 . 0 0 "[ . 1 . 2]" 1 890 1 55 VAL H 1 55 VAL HB . . 3.510 2.533 2.303 2.648 . 0 0 "[ . 1 . 2]" 1 891 1 54 PRO HA 1 55 VAL HB . . 4.750 4.586 4.298 4.744 . 0 0 "[ . 1 . 2]" 1 892 1 48 GLY QA 1 55 VAL HB . . 4.570 4.008 3.152 4.671 0.101 6 0 "[ . 1 . 2]" 1 893 1 12 TRP HE3 1 14 GLN HB3 . . 4.620 3.698 3.376 4.141 . 0 0 "[ . 1 . 2]" 1 894 1 43 ARG HB2 1 63 GLU HA . . 4.580 3.187 2.461 4.096 . 0 0 "[ . 1 . 2]" 1 895 1 43 ARG HB2 1 43 ARG HD2 . . 3.940 2.993 2.836 3.235 . 0 0 "[ . 1 . 2]" 1 896 1 18 GLU H 1 18 GLU HG2 . . 3.970 3.420 2.791 3.972 0.002 20 0 "[ . 1 . 2]" 1 897 1 17 ALA MB 1 18 GLU HG2 . . 4.190 3.886 3.532 4.201 0.011 2 0 "[ . 1 . 2]" 1 898 1 52 GLN HA 1 52 GLN QG . . 3.130 2.111 1.970 3.171 0.041 9 0 "[ . 1 . 2]" 1 899 1 52 GLN QG 1 53 PRO HD3 . . 4.340 2.970 2.452 3.435 . 0 0 "[ . 1 . 2]" 1 900 1 52 GLN QG 1 53 PRO HD2 . . 3.920 3.042 1.956 3.338 . 0 0 "[ . 1 . 2]" 1 901 1 52 GLN H 1 52 GLN QG . . 3.740 3.166 2.893 3.402 . 0 0 "[ . 1 . 2]" 1 902 1 49 LEU HB2 1 52 GLN QG . . 3.590 3.214 2.550 3.542 . 0 0 "[ . 1 . 2]" 1 903 1 79 VAL H 1 79 VAL HB . . 3.390 2.267 2.156 2.419 . 0 0 "[ . 1 . 2]" 1 904 1 23 VAL MG2 1 79 VAL HB . . 4.040 4.032 3.897 4.112 0.072 19 0 "[ . 1 . 2]" 1 905 1 23 VAL MG1 1 79 VAL HB . . 4.560 3.829 2.887 4.203 . 0 0 "[ . 1 . 2]" 1 906 1 18 GLU H 1 18 GLU HG3 . . 3.850 2.255 1.955 2.708 . 0 0 "[ . 1 . 2]" 1 907 1 17 ALA MB 1 18 GLU HG3 . . 3.890 3.042 2.240 3.792 . 0 0 "[ . 1 . 2]" 1 908 1 38 VAL HB 1 71 TRP HD1 . . 4.650 3.745 3.243 4.295 . 0 0 "[ . 1 . 2]" 1 909 1 38 VAL HB 1 47 VAL MG2 . . 4.470 4.177 3.575 4.532 0.062 19 0 "[ . 1 . 2]" 1 910 1 23 VAL H 1 23 VAL HB . . 3.700 2.637 2.424 2.779 . 0 0 "[ . 1 . 2]" 1 911 1 23 VAL HB 1 79 VAL MG2 . . 4.240 4.246 4.115 4.329 0.089 10 0 "[ . 1 . 2]" 1 912 1 23 VAL HB 1 79 VAL MG1 . . 3.720 3.274 2.898 3.691 . 0 0 "[ . 1 . 2]" 1 913 1 69 SER HB3 1 70 SER H . . 3.900 3.096 2.606 4.184 0.284 7 0 "[ . 1 . 2]" 1 914 1 40 ILE MD 1 69 SER HB3 . . 3.400 2.287 1.949 3.634 0.234 7 0 "[ . 1 . 2]" 1 915 1 69 SER H 1 69 SER HB3 . . 3.940 3.306 2.019 3.785 . 0 0 "[ . 1 . 2]" 1 916 1 69 SER HB2 1 70 SER H . . 4.140 3.803 2.424 4.140 . 15 0 "[ . 1 . 2]" 1 917 1 69 SER H 1 69 SER HB2 . . 3.630 2.611 2.065 3.607 . 0 0 "[ . 1 . 2]" 1 918 1 66 VAL QG 1 69 SER HB2 . . 4.340 3.830 3.104 4.802 0.462 7 0 "[ . 1 . 2]" 1 919 1 40 ILE MG 1 69 SER HB2 . . 3.430 2.040 1.910 2.796 . 0 0 "[ . 1 . 2]" 1 920 1 23 VAL HB 1 79 VAL HB . . 3.060 2.711 2.550 2.875 . 0 0 "[ . 1 . 2]" 1 921 1 106 LYS HB2 1 107 ILE H . . 4.410 4.201 3.296 4.730 0.320 17 0 "[ . 1 . 2]" 1 922 1 106 LYS HB3 1 107 ILE H . . 4.580 3.543 1.951 4.685 0.105 10 0 "[ . 1 . 2]" 1 923 1 94 ARG HB2 1 95 LEU H . . 4.020 3.010 1.893 3.678 . 0 0 "[ . 1 . 2]" 1 924 1 125 VAL H 1 125 VAL HB . . 3.840 3.202 2.578 3.798 . 0 0 "[ . 1 . 2]" 1 925 1 113 LYS H 1 113 LYS HB2 . . 4.030 2.823 2.218 4.006 . 0 0 "[ . 1 . 2]" 1 926 1 94 ARG HB3 1 95 LEU H . . 3.930 3.760 2.804 4.136 0.206 18 0 "[ . 1 . 2]" 1 927 1 89 MET H 1 89 MET QG . . 3.710 2.423 2.073 3.080 . 0 0 "[ . 1 . 2]" 1 928 1 89 MET HB3 1 89 MET QG . . 2.740 2.275 2.183 2.564 . 0 0 "[ . 1 . 2]" 1 929 1 89 MET HB2 1 89 MET QG . . 2.780 2.460 2.184 2.567 . 0 0 "[ . 1 . 2]" 1 930 1 94 ARG HB2 1 96 VAL H . . 4.650 3.136 2.830 3.422 . 0 0 "[ . 1 . 2]" 1 931 1 94 ARG HB3 1 96 VAL H . . 4.570 4.633 4.148 4.810 0.240 19 0 "[ . 1 . 2]" 1 932 1 14 GLN HG3 1 91 TRP HE3 . . 4.510 3.302 2.240 4.258 . 0 0 "[ . 1 . 2]" 1 933 1 63 GLU HB3 1 64 VAL H . . 3.930 2.996 2.500 3.608 . 0 0 "[ . 1 . 2]" 1 934 1 63 GLU H 1 63 GLU HB3 . . 3.940 3.547 3.493 3.586 . 0 0 "[ . 1 . 2]" 1 935 1 42 ARG HG2 1 63 GLU HB3 . . 3.810 3.053 2.764 3.562 . 0 0 "[ . 1 . 2]" 1 936 1 63 GLU HB2 1 64 VAL H . . 4.290 4.108 3.700 4.471 0.181 7 0 "[ . 1 . 2]" 1 937 1 24 PRO HB3 1 78 VAL QG . . 2.550 1.961 1.798 2.082 . 0 0 "[ . 1 . 2]" 1 938 1 24 PRO HB2 1 25 PHE H . . 3.870 3.252 2.910 3.818 . 0 0 "[ . 1 . 2]" 1 939 1 24 PRO HB2 1 78 VAL QG . . 3.760 3.098 2.855 3.325 . 0 0 "[ . 1 . 2]" 1 940 1 54 PRO HA 1 55 VAL HA . . 4.580 4.306 4.245 4.342 . 0 0 "[ . 1 . 2]" 1 941 1 41 GLN HB3 1 44 HIS HB2 . . 4.130 3.366 2.647 3.743 . 0 0 "[ . 1 . 2]" 1 942 1 8 PRO HB2 1 9 ASN H . . 4.150 2.030 1.927 3.487 . 0 0 "[ . 1 . 2]" 1 943 1 47 VAL H 1 54 PRO HB3 . . 4.400 3.893 3.472 4.310 . 0 0 "[ . 1 . 2]" 1 944 1 46 ARG HG2 1 54 PRO HB3 . . 4.420 2.630 2.350 3.295 . 0 0 "[ . 1 . 2]" 1 945 1 54 PRO HB3 1 55 VAL H . . 4.220 4.141 3.712 4.279 0.059 15 0 "[ . 1 . 2]" 1 946 1 54 PRO HB3 1 56 VAL H . . 4.380 4.164 3.760 4.409 0.029 8 0 "[ . 1 . 2]" 1 947 1 48 GLY QA 1 54 PRO HB3 . . 4.210 2.974 1.958 3.474 . 0 0 "[ . 1 . 2]" 1 948 1 46 ARG HG3 1 54 PRO HB3 . . 4.210 3.866 3.438 4.249 0.039 6 0 "[ . 1 . 2]" 1 949 1 100 PRO HB3 1 101 GLU H . . 3.770 3.535 3.037 3.880 0.110 2 0 "[ . 1 . 2]" 1 950 1 54 PRO HB2 1 56 VAL H . . 4.010 3.157 2.604 3.478 . 0 0 "[ . 1 . 2]" 1 951 1 54 PRO HB2 1 57 ASP QB . . 3.700 2.689 2.513 2.989 . 0 0 "[ . 1 . 2]" 1 952 1 8 PRO HB3 1 9 ASN H . . 4.000 3.163 3.095 4.324 0.324 19 0 "[ . 1 . 2]" 1 953 1 8 PRO HB3 1 10 TYR H . . 4.290 4.398 4.028 4.677 0.387 10 0 "[ . 1 . 2]" 1 954 1 126 SER H 1 126 SER QB . . 3.700 2.976 2.572 3.446 . 0 0 "[ . 1 . 2]" 1 955 1 41 GLN HG3 1 44 HIS HB2 . . 4.520 4.369 3.446 5.489 0.969 6 2 "[ .+ 1 - . 2]" 1 956 1 41 GLN HB2 1 44 HIS HB3 . . 4.370 2.310 1.985 3.136 . 0 0 "[ . 1 . 2]" 1 957 1 41 GLN HB2 1 44 HIS HB2 . . 4.570 3.315 2.698 4.285 . 0 0 "[ . 1 . 2]" 1 958 1 65 LYS H 1 65 LYS HB3 . . 3.610 2.803 2.601 3.001 . 0 0 "[ . 1 . 2]" 1 959 1 41 GLN HB3 1 44 HIS HB3 . . 3.970 3.068 1.935 3.525 . 0 0 "[ . 1 . 2]" 1 960 1 50 LYS HB3 1 50 LYS HE2 . . 4.580 4.542 4.321 5.029 0.449 12 0 "[ . 1 . 2]" 1 961 1 65 LYS H 1 65 LYS HB2 . . 3.700 2.186 2.049 2.360 . 0 0 "[ . 1 . 2]" 1 962 1 115 SER H 1 115 SER QB . . 3.630 2.597 2.023 3.035 . 0 0 "[ . 1 . 2]" 1 963 1 37 VAL QG 1 50 LYS HB3 . . 4.130 3.865 3.606 4.113 . 0 0 "[ . 1 . 2]" 1 964 1 35 ASP HA 1 50 LYS HB2 . . 4.310 2.833 2.260 3.418 . 0 0 "[ . 1 . 2]" 1 965 1 37 VAL QG 1 50 LYS HB2 . . 3.830 2.965 2.500 3.432 . 0 0 "[ . 1 . 2]" 1 966 1 98 SER HB2 1 99 ASP H . . 4.120 4.174 3.274 4.719 0.599 5 5 "[ * + - 1 . * *]" 1 967 1 98 SER H 1 98 SER HB2 . . 3.810 3.162 2.445 3.801 . 0 0 "[ . 1 . 2]" 1 968 1 98 SER H 1 98 SER HB3 . . 3.690 3.366 2.824 3.856 0.166 19 0 "[ . 1 . 2]" 1 969 1 123 SER QB 1 124 MET H . . 4.130 2.703 2.251 3.428 . 0 0 "[ . 1 . 2]" 1 970 1 123 SER H 1 123 SER QB . . 3.430 2.883 2.355 3.396 . 0 0 "[ . 1 . 2]" 1 971 1 28 SER H 1 28 SER HB2 . . 3.460 2.377 2.214 2.569 . 0 0 "[ . 1 . 2]" 1 972 1 28 SER HB2 1 29 PHE H . . 4.410 4.045 3.815 4.206 . 0 0 "[ . 1 . 2]" 1 973 1 28 SER HA 1 28 SER HB2 . . 3.020 2.874 2.782 2.961 . 0 0 "[ . 1 . 2]" 1 974 1 119 SER H 1 119 SER HB2 . . 3.850 3.362 2.805 3.851 0.001 7 0 "[ . 1 . 2]" 1 975 1 28 SER H 1 28 SER HB3 . . 3.420 3.236 3.076 3.441 0.021 19 0 "[ . 1 . 2]" 1 976 1 28 SER HB3 1 29 PHE H . . 4.520 4.016 3.837 4.139 . 0 0 "[ . 1 . 2]" 1 977 1 28 SER HA 1 28 SER HB3 . . 2.970 2.883 2.783 2.963 . 0 0 "[ . 1 . 2]" 1 978 1 119 SER H 1 119 SER HB3 . . 3.830 3.474 2.661 3.817 . 0 0 "[ . 1 . 2]" 1 979 1 88 LYS H 1 88 LYS QB . . 3.870 2.987 2.339 3.414 . 0 0 "[ . 1 . 2]" 1 980 1 34 LYS QB 1 35 ASP H . . 4.620 3.730 3.415 4.082 . 0 0 "[ . 1 . 2]" 1 981 1 34 LYS QB 1 34 LYS HD3 . . 3.770 3.068 2.134 3.324 . 0 0 "[ . 1 . 2]" 1 982 1 49 LEU H 1 54 PRO HA . . 4.310 4.113 3.171 4.454 0.144 18 0 "[ . 1 . 2]" 1 983 1 54 PRO HA 1 55 VAL H . . 3.020 2.167 2.149 2.239 . 0 0 "[ . 1 . 2]" 1 984 1 54 PRO HA 1 56 VAL H . . 4.140 3.494 3.123 3.912 . 0 0 "[ . 1 . 2]" 1 985 1 48 GLY QA 1 54 PRO HA . . 3.020 1.892 1.735 1.963 . 0 0 "[ . 1 . 2]" 1 986 1 65 LYS HB2 1 86 ILE HA . . 4.170 3.205 2.375 3.941 . 0 0 "[ . 1 . 2]" 1 987 1 86 ILE HA 1 86 ILE HG13 . . 3.750 3.710 3.635 3.776 0.026 11 0 "[ . 1 . 2]" 1 988 1 86 ILE HA 1 86 ILE HG12 . . 3.400 2.779 2.521 2.930 . 0 0 "[ . 1 . 2]" 1 989 1 74 GLU H 1 74 GLU QB . . 3.580 2.155 2.070 2.272 . 0 0 "[ . 1 . 2]" 1 990 1 74 GLU QB 1 78 VAL QG . . 3.760 2.269 1.870 2.812 . 0 0 "[ . 1 . 2]" 1 991 1 74 GLU QB 1 75 ASP H . . 4.210 3.161 2.871 3.335 . 0 0 "[ . 1 . 2]" 1 992 1 74 GLU QB 1 78 VAL H . . 4.690 3.658 3.303 3.911 . 0 0 "[ . 1 . 2]" 1 993 1 72 LEU QD 1 74 GLU QB . . 4.060 3.584 3.395 3.727 . 0 0 "[ . 1 . 2]" 1 994 1 8 PRO HA 1 9 ASN H . . 2.910 2.813 2.770 3.455 0.545 19 1 "[ . 1 . +2]" 1 995 1 8 PRO HA 1 10 TYR H . . 4.570 4.321 4.061 4.591 0.021 1 0 "[ . 1 . 2]" 1 996 1 68 GLU H 1 68 GLU HB2 . . 3.920 2.431 2.320 2.602 . 0 0 "[ . 1 . 2]" 1 997 1 68 GLU HB2 1 84 GLU HB2 . . 3.870 3.119 2.509 3.880 0.010 9 0 "[ . 1 . 2]" 1 998 1 68 GLU HB2 1 84 GLU HB3 . . 4.250 2.944 2.245 3.559 . 0 0 "[ . 1 . 2]" 1 999 1 68 GLU HB3 1 84 GLU QG . . 3.980 3.521 2.411 4.672 0.692 8 1 "[ . + 1 . 2]" 1 1000 1 65 LYS HB3 1 68 GLU HB3 . . 3.890 3.836 3.319 4.178 0.288 8 0 "[ . 1 . 2]" 1 1001 1 122 ARG H 1 122 ARG HB2 . . 4.000 3.066 2.501 3.993 . 0 0 "[ . 1 . 2]" 1 1002 1 121 THR HA 1 122 ARG H . . 3.320 2.418 2.234 2.737 . 0 0 "[ . 1 . 2]" 1 1003 1 121 THR HA 1 121 THR MG . . 3.550 3.115 2.404 3.247 . 0 0 "[ . 1 . 2]" 1 1004 1 94 ARG HE 1 97 THR HA . . 4.530 3.280 1.926 4.751 0.221 15 0 "[ . 1 . 2]" 1 1005 1 94 ARG HG3 1 97 THR HA . . 4.690 4.639 2.092 5.486 0.796 15 3 "[ -. 1 * + 2]" 1 1006 1 53 PRO HB2 1 54 PRO HD2 . . 3.630 3.068 2.570 3.390 . 0 0 "[ . 1 . 2]" 1 1007 1 42 ARG HB2 1 43 ARG H . . 3.960 3.727 3.453 3.985 0.025 17 0 "[ . 1 . 2]" 1 1008 1 42 ARG HB2 1 66 VAL QG . . 4.320 2.905 2.566 3.211 . 0 0 "[ . 1 . 2]" 1 1009 1 42 ARG HB3 1 42 ARG HD3 . . 4.180 3.522 3.252 4.204 0.024 18 0 "[ . 1 . 2]" 1 1010 1 53 PRO HB3 1 54 PRO HD2 . . 3.790 3.277 2.996 3.478 . 0 0 "[ . 1 . 2]" 1 1011 1 65 LYS H 1 84 GLU HB2 . . 4.820 4.484 4.038 4.837 0.017 8 0 "[ . 1 . 2]" 1 1012 1 84 GLU H 1 84 GLU HB2 . . 3.790 2.748 2.335 3.271 . 0 0 "[ . 1 . 2]" 1 1013 1 68 GLU HB3 1 84 GLU HB2 . . 4.010 3.446 2.851 3.878 . 0 0 "[ . 1 . 2]" 1 1014 1 84 GLU H 1 84 GLU HB3 . . 3.730 3.079 2.481 3.596 . 0 0 "[ . 1 . 2]" 1 1015 1 65 LYS H 1 84 GLU HB3 . . 4.660 3.200 2.711 3.709 . 0 0 "[ . 1 . 2]" 1 1016 1 30 ARG H 1 30 ARG QB . . 3.010 2.130 2.064 2.241 . 0 0 "[ . 1 . 2]" 1 1017 1 30 ARG QB 1 76 GLY HA3 . . 4.020 3.177 2.730 3.805 . 0 0 "[ . 1 . 2]" 1 1018 1 125 VAL HA 1 126 SER H . . 3.150 2.546 2.183 3.139 . 0 0 "[ . 1 . 2]" 1 1019 1 125 VAL HA 1 125 VAL QG . . 3.340 2.244 2.059 2.405 . 0 0 "[ . 1 . 2]" 1 1020 1 29 PHE HA 1 30 ARG QB . . 4.470 4.316 4.169 4.444 . 0 0 "[ . 1 . 2]" 1 1021 1 104 THR HA 1 104 THR MG . . 3.230 2.692 2.236 3.239 0.009 11 0 "[ . 1 . 2]" 1 1022 1 43 ARG HG2 1 60 LEU H . . 3.990 3.348 2.373 4.059 0.069 8 0 "[ . 1 . 2]" 1 1023 1 43 ARG HE 1 43 ARG HG2 . . 3.780 2.294 2.072 3.033 . 0 0 "[ . 1 . 2]" 1 1024 1 43 ARG HE 1 43 ARG HG3 . . 4.100 3.141 2.904 3.579 . 0 0 "[ . 1 . 2]" 1 1025 1 40 ILE HA 1 41 GLN H . . 2.920 2.230 2.177 2.290 . 0 0 "[ . 1 . 2]" 1 1026 1 40 ILE HA 1 46 ARG H . . 4.210 3.827 2.978 4.249 0.039 19 0 "[ . 1 . 2]" 1 1027 1 40 ILE HA 1 45 LEU HA . . 3.900 2.960 2.336 3.411 . 0 0 "[ . 1 . 2]" 1 1028 1 39 ASP HA 1 40 ILE HA . . 4.640 4.470 4.433 4.575 . 0 0 "[ . 1 . 2]" 1 1029 1 40 ILE HA 1 40 ILE HG12 . . 4.020 2.540 2.382 2.776 . 0 0 "[ . 1 . 2]" 1 1030 1 40 ILE HA 1 45 LEU QD . . 3.020 2.252 1.927 3.022 0.002 8 0 "[ . 1 . 2]" 1 1031 1 40 ILE HA 1 40 ILE HG13 . . 3.700 2.838 2.653 3.021 . 0 0 "[ . 1 . 2]" 1 1032 1 101 GLU QB 1 102 ILE H . . 4.060 2.613 1.935 3.671 . 0 0 "[ . 1 . 2]" 1 1033 1 59 GLU QB 1 97 THR MG . . 4.120 3.221 2.439 3.874 . 0 0 "[ . 1 . 2]" 1 1034 1 82 HIS H 1 82 HIS HB2 . . 3.730 3.200 2.911 3.603 . 0 0 "[ . 1 . 2]" 1 1035 1 82 HIS HB3 1 83 LEU H . . 4.700 4.548 4.422 4.693 . 0 0 "[ . 1 . 2]" 1 1036 1 59 GLU QB 1 97 THR H . . 4.430 3.658 3.177 4.510 0.080 8 0 "[ . 1 . 2]" 1 1037 1 59 GLU H 1 59 GLU QB . . 3.210 2.209 2.151 2.243 . 0 0 "[ . 1 . 2]" 1 1038 1 59 GLU QB 1 60 LEU H . . 4.160 3.878 3.607 4.056 . 0 0 "[ . 1 . 2]" 1 1039 1 70 SER H 1 82 HIS HB2 . . 4.250 4.499 4.081 4.698 0.448 7 0 "[ . 1 . 2]" 1 1040 1 82 HIS H 1 82 HIS HB3 . . 3.820 2.542 2.286 2.692 . 0 0 "[ . 1 . 2]" 1 1041 1 52 GLN QB 1 53 PRO HD3 . . 4.050 2.940 2.703 3.003 . 0 0 "[ . 1 . 2]" 1 1042 1 49 LEU HB2 1 52 GLN QB . . 3.720 2.033 1.904 2.617 . 0 0 "[ . 1 . 2]" 1 1043 1 110 GLU HB2 1 111 ASN H . . 4.600 4.048 1.925 4.624 0.024 15 0 "[ . 1 . 2]" 1 1044 1 77 LYS HD2 1 78 VAL QG . . 4.710 2.864 1.947 4.311 . 0 0 "[ . 1 . 2]" 1 1045 1 77 LYS HB3 1 77 LYS HD3 . . 3.510 3.017 2.613 3.586 0.076 2 0 "[ . 1 . 2]" 1 1046 1 32 LYS QB 1 34 LYS HD3 . . 4.100 2.708 1.933 4.438 0.338 9 0 "[ . 1 . 2]" 1 1047 1 65 LYS HB2 1 65 LYS HD3 . . 4.010 2.359 2.227 2.492 . 0 0 "[ . 1 . 2]" 1 1048 1 37 VAL HA 1 38 VAL HA . . 4.520 4.378 4.366 4.394 . 0 0 "[ . 1 . 2]" 1 1049 1 38 VAL HA 1 39 ASP H . . 2.870 2.231 2.196 2.272 . 0 0 "[ . 1 . 2]" 1 1050 1 38 VAL HA 1 47 VAL HA . . 3.460 2.313 1.950 2.590 . 0 0 "[ . 1 . 2]" 1 1051 1 38 VAL HA 1 47 VAL MG1 . . 4.110 3.487 3.208 3.648 . 0 0 "[ . 1 . 2]" 1 1052 1 102 ILE HA 1 103 ASN H . . 2.710 2.452 2.262 2.587 . 0 0 "[ . 1 . 2]" 1 1053 1 102 ILE HA 1 102 ILE QG . . 3.670 2.581 2.390 3.307 . 0 0 "[ . 1 . 2]" 1 1054 1 102 ILE HA 1 102 ILE MG . . 3.140 2.290 2.102 2.465 . 0 0 "[ . 1 . 2]" 1 1055 1 37 VAL QG 1 50 LYS HD3 . . 4.160 4.032 3.683 4.234 0.074 16 0 "[ . 1 . 2]" 1 1056 1 37 VAL HA 1 38 VAL H . . 2.660 2.209 2.182 2.242 . 0 0 "[ . 1 . 2]" 1 1057 1 37 VAL HA 1 38 VAL HB . . 4.370 4.476 4.384 4.570 0.200 2 0 "[ . 1 . 2]" 1 1058 1 60 LEU HA 1 61 TYR HA . . 4.610 4.285 4.271 4.302 . 0 0 "[ . 1 . 2]" 1 1059 1 61 TYR HA 1 61 TYR QD . . 3.450 3.116 2.766 3.285 . 0 0 "[ . 1 . 2]" 1 1060 1 35 ASP HA 1 50 LYS HD2 . . 4.240 3.322 2.575 4.157 . 0 0 "[ . 1 . 2]" 1 1061 1 50 LYS HA 1 50 LYS HD2 . . 4.540 4.019 3.842 4.189 . 0 0 "[ . 1 . 2]" 1 1062 1 26 ARG QB 1 27 VAL HA . . 4.800 4.194 4.115 4.516 . 0 0 "[ . 1 . 2]" 1 1063 1 32 LYS HA 1 32 LYS HD2 . . 4.330 3.942 2.006 4.717 0.387 9 0 "[ . 1 . 2]" 1 1064 1 32 LYS QB 1 32 LYS HD2 . . 3.810 2.713 2.193 3.411 . 0 0 "[ . 1 . 2]" 1 1065 1 34 LYS H 1 34 LYS HD2 . . 4.220 3.947 3.094 4.417 0.197 9 0 "[ . 1 . 2]" 1 1066 1 113 LYS HA 1 113 LYS QD . . 4.350 3.757 2.623 4.298 . 0 0 "[ . 1 . 2]" 1 1067 1 106 LYS HA 1 106 LYS QD . . 3.880 3.425 2.363 3.860 . 0 0 "[ . 1 . 2]" 1 1068 1 107 ILE HA 1 107 ILE HG12 . . 4.100 3.376 2.698 3.989 . 0 0 "[ . 1 . 2]" 1 1069 1 107 ILE HA 1 107 ILE HG13 . . 3.810 3.104 2.214 4.203 0.393 19 0 "[ . 1 . 2]" 1 1070 1 107 ILE HA 1 107 ILE MG . . 3.270 2.301 1.964 2.523 . 0 0 "[ . 1 . 2]" 1 1071 1 92 TRP H 1 92 TRP HB3 . . 3.970 3.551 3.492 3.648 . 0 0 "[ . 1 . 2]" 1 1072 1 67 GLU H 1 67 GLU HB3 . . 3.680 3.468 3.270 3.564 . 0 0 "[ . 1 . 2]" 1 1073 1 67 GLU H 1 67 GLU HB2 . . 3.600 2.258 2.032 2.505 . 0 0 "[ . 1 . 2]" 1 1074 1 56 VAL HA 1 57 ASP H . . 2.810 2.219 2.182 2.278 . 0 0 "[ . 1 . 2]" 1 1075 1 73 ILE H 1 73 ILE HG12 . . 3.770 3.841 3.143 4.247 0.477 3 0 "[ . 1 . 2]" 1 1076 1 71 TRP HE3 1 73 ILE HG12 . . 4.460 4.050 3.369 4.762 0.302 19 0 "[ . 1 . 2]" 1 1077 1 71 TRP HZ3 1 73 ILE HG12 . . 3.690 2.685 1.990 3.544 . 0 0 "[ . 1 . 2]" 1 1078 1 73 ILE H 1 73 ILE HG13 . . 4.220 2.597 1.969 3.020 . 0 0 "[ . 1 . 2]" 1 1079 1 71 TRP HE3 1 73 ILE HG13 . . 4.730 3.542 3.151 4.302 . 0 0 "[ . 1 . 2]" 1 1080 1 71 TRP HZ3 1 73 ILE HG13 . . 3.940 2.497 1.988 3.151 . 0 0 "[ . 1 . 2]" 1 1081 1 36 VAL HA 1 37 VAL H . . 2.930 2.509 2.472 2.552 . 0 0 "[ . 1 . 2]" 1 1082 1 36 VAL HA 1 50 LYS H . . 3.450 2.376 2.157 2.589 . 0 0 "[ . 1 . 2]" 1 1083 1 36 VAL HA 1 49 LEU QD . . 3.990 2.438 2.101 2.947 . 0 0 "[ . 1 . 2]" 1 1084 1 52 GLN HA 1 53 PRO HG2 . . 4.590 4.862 4.819 4.898 0.308 20 0 "[ . 1 . 2]" 1 1085 1 30 ARG HA 1 30 ARG HG2 . . 3.780 3.115 2.686 3.570 . 0 0 "[ . 1 . 2]" 1 1086 1 30 ARG HG2 1 76 GLY HA3 . . 4.090 2.562 1.987 3.907 . 0 0 "[ . 1 . 2]" 1 1087 1 30 ARG HG3 1 76 GLY HA3 . . 4.260 2.572 1.996 2.968 . 0 0 "[ . 1 . 2]" 1 1088 1 65 LYS H 1 86 ILE HG13 . . 4.620 4.338 4.030 4.593 . 0 0 "[ . 1 . 2]" 1 1089 1 86 ILE H 1 86 ILE HG13 . . 3.860 3.486 3.265 3.634 . 0 0 "[ . 1 . 2]" 1 1090 1 64 VAL HA 1 86 ILE HG13 . . 4.140 3.629 3.307 4.156 0.016 15 0 "[ . 1 . 2]" 1 1091 1 63 GLU HB3 1 86 ILE HG13 . . 3.900 2.213 1.980 2.431 . 0 0 "[ . 1 . 2]" 1 1092 1 63 GLU HB2 1 86 ILE HG13 . . 3.910 2.437 1.986 2.799 . 0 0 "[ . 1 . 2]" 1 1093 1 65 LYS H 1 86 ILE HG12 . . 4.520 2.829 2.415 3.070 . 0 0 "[ . 1 . 2]" 1 1094 1 86 ILE H 1 86 ILE HG12 . . 3.780 2.343 2.037 2.754 . 0 0 "[ . 1 . 2]" 1 1095 1 64 VAL HA 1 86 ILE HG12 . . 4.140 2.185 1.977 2.801 . 0 0 "[ . 1 . 2]" 1 1096 1 63 GLU HB3 1 86 ILE HG12 . . 4.400 3.390 2.863 3.734 . 0 0 "[ . 1 . 2]" 1 1097 1 65 LYS HB2 1 86 ILE HG12 . . 4.350 3.878 3.037 4.296 . 0 0 "[ . 1 . 2]" 1 1098 1 86 ILE HG12 1 86 ILE MG . . 3.480 3.221 3.182 3.237 . 0 0 "[ . 1 . 2]" 1 1099 1 46 ARG HG3 1 57 ASP QB . . 4.500 2.428 2.014 2.901 . 0 0 "[ . 1 . 2]" 1 1100 1 46 ARG HG3 1 47 VAL H . . 4.190 4.043 3.428 4.353 0.163 19 0 "[ . 1 . 2]" 1 1101 1 21 LEU HG 1 22 ALA H . . 4.420 3.654 2.900 4.449 0.029 11 0 "[ . 1 . 2]" 1 1102 1 21 LEU HG 1 81 VAL MG2 . . 4.610 3.223 2.428 3.916 . 0 0 "[ . 1 . 2]" 1 1103 1 46 ARG HG2 1 47 VAL H . . 4.100 3.271 2.648 3.971 . 0 0 "[ . 1 . 2]" 1 1104 1 46 ARG HA 1 46 ARG HG2 . . 4.070 2.664 2.403 2.928 . 0 0 "[ . 1 . 2]" 1 1105 1 46 ARG HG2 1 57 ASP QB . . 4.750 3.348 2.740 4.064 . 0 0 "[ . 1 . 2]" 1 1106 1 37 VAL QG 1 46 ARG HG2 . . 4.240 3.845 3.143 4.216 . 0 0 "[ . 1 . 2]" 1 1107 1 45 LEU HG 1 56 VAL MG1 . . 4.260 2.602 1.803 4.293 0.033 16 0 "[ . 1 . 2]" 1 1108 1 46 ARG QD 1 54 PRO HG3 . . 4.400 3.139 2.829 3.537 . 0 0 "[ . 1 . 2]" 1 1109 1 57 ASP QB 1 100 PRO QG . . 3.980 3.237 1.965 3.869 . 0 0 "[ . 1 . 2]" 1 1110 1 46 ARG QD 1 54 PRO HG2 . . 4.070 4.090 3.794 4.200 0.130 18 0 "[ . 1 . 2]" 1 1111 1 54 PRO HG2 1 57 ASP QB . . 3.890 2.962 2.736 3.205 . 0 0 "[ . 1 . 2]" 1 1112 1 67 GLU HA 1 69 SER H . . 4.360 3.899 3.540 4.338 . 0 0 "[ . 1 . 2]" 1 1113 1 67 GLU HA 1 67 GLU HG3 . . 3.210 3.038 2.421 3.485 0.275 6 0 "[ . 1 . 2]" 1 1114 1 67 GLU HA 1 67 GLU HB3 . . 2.980 2.674 2.499 2.858 . 0 0 "[ . 1 . 2]" 1 1115 1 66 VAL QG 1 67 GLU HA . . 3.900 3.111 2.862 3.991 0.091 9 0 "[ . 1 . 2]" 1 1116 1 99 ASP HA 1 100 PRO QG . . 4.210 4.022 3.909 4.168 . 0 0 "[ . 1 . 2]" 1 1117 1 99 ASP QB 1 100 PRO QG . . 4.380 3.914 3.679 4.243 . 0 0 "[ . 1 . 2]" 1 1118 1 60 LEU H 1 60 LEU HG . . 3.940 2.493 2.009 3.419 . 0 0 "[ . 1 . 2]" 1 1119 1 43 ARG HA 1 60 LEU HG . . 4.630 3.864 2.856 4.481 . 0 0 "[ . 1 . 2]" 1 1120 1 60 LEU QD 1 64 VAL H . . 4.540 4.002 3.460 4.269 . 0 0 "[ . 1 . 2]" 1 1121 1 45 LEU H 1 60 LEU QD . . 3.970 3.143 1.819 3.566 . 0 0 "[ . 1 . 2]" 1 1122 1 60 LEU QD 1 61 TYR H . . 3.590 3.058 2.717 3.401 . 0 0 "[ . 1 . 2]" 1 1123 1 60 LEU QD 1 92 TRP HH2 . . 3.470 2.430 1.833 2.946 . 0 0 "[ . 1 . 2]" 1 1124 1 45 LEU HA 1 60 LEU QD . . 4.350 3.571 3.152 3.846 . 0 0 "[ . 1 . 2]" 1 1125 1 44 HIS HA 1 60 LEU QD . . 3.730 3.019 1.876 3.515 . 0 0 "[ . 1 . 2]" 1 1126 1 43 ARG HA 1 60 LEU QD . . 3.360 2.777 2.226 3.276 . 0 0 "[ . 1 . 2]" 1 1127 1 60 LEU HA 1 60 LEU QD . . 2.900 2.117 1.936 2.291 . 0 0 "[ . 1 . 2]" 1 1128 1 60 LEU HB3 1 60 LEU QD . . 3.170 2.109 2.053 2.156 . 0 0 "[ . 1 . 2]" 1 1129 1 60 LEU HB2 1 60 LEU QD . . 3.080 2.307 2.160 2.595 . 0 0 "[ . 1 . 2]" 1 1130 1 60 LEU QD 1 64 VAL MG2 . . 2.900 1.839 1.684 2.227 . 0 0 "[ . 1 . 2]" 1 1131 1 40 ILE H 1 40 ILE HG13 . . 4.310 2.668 1.973 2.985 . 0 0 "[ . 1 . 2]" 1 1132 1 10 TYR QD 1 21 LEU QD . . 3.150 2.197 1.902 2.722 . 0 0 "[ . 1 . 2]" 1 1133 1 21 LEU QD 1 81 VAL HB . . 3.490 2.076 1.935 2.384 . 0 0 "[ . 1 . 2]" 1 1134 1 119 SER HA 1 120 GLU H . . 3.440 2.582 2.216 3.607 0.167 14 0 "[ . 1 . 2]" 1 1135 1 16 LEU HA 1 85 LYS QZ . . 3.880 2.291 1.976 2.820 . 0 0 "[ . 1 . 2]" 1 1136 1 16 LEU HA 1 91 TRP HE3 . . 4.350 3.936 2.863 4.433 0.083 5 0 "[ . 1 . 2]" 1 1137 1 109 PRO QG 1 110 GLU H . . 4.500 2.682 2.210 4.633 0.133 14 0 "[ . 1 . 2]" 1 1138 1 42 ARG HA 1 42 ARG HG3 . . 3.690 2.803 2.535 2.983 . 0 0 "[ . 1 . 2]" 1 1139 1 42 ARG HG3 1 66 VAL QG . . 4.300 4.007 3.778 4.235 . 0 0 "[ . 1 . 2]" 1 1140 1 42 ARG HG3 1 64 VAL MG2 . . 4.420 4.107 3.879 4.345 . 0 0 "[ . 1 . 2]" 1 1141 1 42 ARG HG2 1 64 VAL H . . 4.700 4.314 3.972 4.723 0.023 7 0 "[ . 1 . 2]" 1 1142 1 42 ARG HG2 1 43 ARG H . . 4.560 4.270 3.418 4.577 0.017 19 0 "[ . 1 . 2]" 1 1143 1 42 ARG HE 1 42 ARG HG2 . . 4.140 2.867 2.083 3.601 . 0 0 "[ . 1 . 2]" 1 1144 1 42 ARG HG2 1 66 VAL QG . . 4.800 4.490 4.269 4.730 . 0 0 "[ . 1 . 2]" 1 1145 1 42 ARG HG2 1 86 ILE MD . . 4.650 4.643 4.304 4.720 0.070 19 0 "[ . 1 . 2]" 1 1146 1 16 LEU H 1 16 LEU HG . . 3.840 3.450 2.596 3.981 0.141 1 0 "[ . 1 . 2]" 1 1147 1 102 ILE H 1 102 ILE QG . . 3.700 2.284 1.881 2.575 . 0 0 "[ . 1 . 2]" 1 1148 1 11 ARG H 1 11 ARG HG2 . . 3.850 2.878 1.940 3.963 0.113 16 0 "[ . 1 . 2]" 1 1149 1 11 ARG H 1 11 ARG HG3 . . 3.950 2.675 1.990 3.688 . 0 0 "[ . 1 . 2]" 1 1150 1 26 ARG HA 1 26 ARG HG2 . . 3.780 2.188 1.985 3.595 . 0 0 "[ . 1 . 2]" 1 1151 1 107 ILE H 1 107 ILE HG13 . . 3.990 2.666 1.901 4.000 0.010 19 0 "[ . 1 . 2]" 1 1152 1 11 ARG H 1 23 VAL HA . . 4.460 3.735 3.382 3.991 . 0 0 "[ . 1 . 2]" 1 1153 1 10 TYR HA 1 23 VAL HA . . 3.840 3.473 3.049 3.763 . 0 0 "[ . 1 . 2]" 1 1154 1 10 TYR HB2 1 23 VAL HA . . 4.000 3.044 2.721 3.316 . 0 0 "[ . 1 . 2]" 1 1155 1 23 VAL HA 1 24 PRO HG2 . . 4.410 4.350 4.346 4.357 . 0 0 "[ . 1 . 2]" 1 1156 1 23 VAL HA 1 24 PRO HG3 . . 4.510 4.305 4.283 4.336 . 0 0 "[ . 1 . 2]" 1 1157 1 42 ARG HA 1 42 ARG HD3 . . 4.470 2.685 1.977 4.015 . 0 0 "[ . 1 . 2]" 1 1158 1 42 ARG HA 1 64 VAL H . . 3.770 2.992 2.639 3.823 0.053 14 0 "[ . 1 . 2]" 1 1159 1 41 GLN HA 1 42 ARG HA . . 4.370 4.252 4.239 4.282 . 0 0 "[ . 1 . 2]" 1 1160 1 42 ARG HA 1 42 ARG HB2 . . 3.030 2.521 2.465 2.611 . 0 0 "[ . 1 . 2]" 1 1161 1 42 ARG HA 1 42 ARG HG2 . . 3.890 3.773 3.708 3.857 . 0 0 "[ . 1 . 2]" 1 1162 1 114 LEU H 1 114 LEU HG . . 3.960 3.495 2.181 4.042 0.082 9 0 "[ . 1 . 2]" 1 1163 1 45 LEU QD 1 83 LEU QD . . 2.990 1.726 1.578 2.045 . 0 0 "[ . 1 . 2]" 1 1164 1 117 LEU H 1 117 LEU HG . . 3.900 3.361 2.322 3.995 0.095 9 0 "[ . 1 . 2]" 1 1165 1 19 LEU H 1 19 LEU HG . . 4.610 3.975 3.769 4.620 0.010 19 0 "[ . 1 . 2]" 1 1166 1 19 LEU HG 1 85 LYS HE3 . . 4.500 2.426 1.982 4.504 0.004 19 0 "[ . 1 . 2]" 1 1167 1 95 LEU HG 1 96 VAL QG . . 4.410 3.557 2.866 4.247 . 0 0 "[ . 1 . 2]" 1 1168 1 95 LEU H 1 95 LEU QD . . 4.370 3.531 3.324 3.658 . 0 0 "[ . 1 . 2]" 1 1169 1 92 TRP HZ3 1 95 LEU QD . . 3.190 2.864 2.196 3.300 0.110 15 0 "[ . 1 . 2]" 1 1170 1 95 LEU QD 1 96 VAL H . . 4.090 3.155 2.626 3.859 . 0 0 "[ . 1 . 2]" 1 1171 1 10 TYR QE 1 95 LEU QD . . 3.680 2.907 1.993 3.499 . 0 0 "[ . 1 . 2]" 1 1172 1 95 LEU HA 1 95 LEU QD . . 2.980 2.059 1.899 2.301 . 0 0 "[ . 1 . 2]" 1 1173 1 12 TRP QB 1 95 LEU QD . . 4.210 2.395 1.854 2.828 . 0 0 "[ . 1 . 2]" 1 1174 1 95 LEU HB3 1 95 LEU QD . . 3.210 2.185 2.021 2.291 . 0 0 "[ . 1 . 2]" 1 1175 1 60 LEU QD 1 95 LEU QD . . 3.150 2.320 1.773 2.934 . 0 0 "[ . 1 . 2]" 1 1176 1 95 LEU QD 1 96 VAL QG . . 3.060 1.974 1.600 2.800 . 0 0 "[ . 1 . 2]" 1 1177 1 112 SER HA 1 113 LYS H . . 3.070 2.480 2.216 2.995 . 0 0 "[ . 1 . 2]" 1 1178 1 24 PRO HG2 1 78 VAL QG . . 4.570 4.209 3.893 4.414 . 0 0 "[ . 1 . 2]" 1 1179 1 24 PRO HG3 1 78 VAL QG . . 4.300 3.427 3.188 3.556 . 0 0 "[ . 1 . 2]" 1 1180 1 19 LEU H 1 19 LEU QD . . 3.940 3.652 3.160 3.738 . 0 0 "[ . 1 . 2]" 1 1181 1 19 LEU QD 1 92 TRP HE3 . . 4.000 2.676 2.451 3.229 . 0 0 "[ . 1 . 2]" 1 1182 1 19 LEU QD 1 85 LYS QZ . . 4.610 2.961 2.608 3.267 . 0 0 "[ . 1 . 2]" 1 1183 1 19 LEU QD 1 92 TRP HZ3 . . 3.760 2.632 2.231 3.315 . 0 0 "[ . 1 . 2]" 1 1184 1 19 LEU QD 1 92 TRP HH2 . . 4.490 2.946 2.164 3.878 . 0 0 "[ . 1 . 2]" 1 1185 1 12 TRP HZ3 1 19 LEU QD . . 3.730 2.010 1.787 2.272 . 0 0 "[ . 1 . 2]" 1 1186 1 19 LEU HA 1 19 LEU QD . . 4.100 2.566 1.899 2.725 . 0 0 "[ . 1 . 2]" 1 1187 1 14 GLN HB2 1 19 LEU QD . . 4.360 3.178 2.905 3.572 . 0 0 "[ . 1 . 2]" 1 1188 1 19 LEU QD 1 85 LYS HE3 . . 3.750 2.047 1.799 2.474 . 0 0 "[ . 1 . 2]" 1 1189 1 14 GLN HB3 1 19 LEU QD . . 3.710 2.052 1.904 2.381 . 0 0 "[ . 1 . 2]" 1 1190 1 19 LEU QD 1 83 LEU HB2 . . 3.890 2.953 2.703 3.236 . 0 0 "[ . 1 . 2]" 1 1191 1 123 SER HA 1 124 MET H . . 2.930 2.518 2.298 2.619 . 0 0 "[ . 1 . 2]" 1 1192 1 85 LYS HG2 1 92 TRP HZ2 . . 4.610 2.673 1.995 3.373 . 0 0 "[ . 1 . 2]" 1 1193 1 19 LEU QD 1 85 LYS HG2 . . 4.310 2.666 1.990 3.144 . 0 0 "[ . 1 . 2]" 1 1194 1 81 VAL MG1 1 83 LEU HG . . 3.640 3.059 2.063 3.620 . 0 0 "[ . 1 . 2]" 1 1195 1 126 SER HA 1 127 GLY H . . 3.380 2.391 2.220 3.045 . 0 0 "[ . 1 . 2]" 1 1196 1 50 LYS HA 1 51 GLY H . . 2.780 2.197 2.176 2.228 . 0 0 "[ . 1 . 2]" 1 1197 1 50 LYS HA 1 50 LYS HG3 . . 3.580 2.066 1.985 2.177 . 0 0 "[ . 1 . 2]" 1 1198 1 83 LEU H 1 83 LEU QD . . 4.150 2.495 1.918 3.444 . 0 0 "[ . 1 . 2]" 1 1199 1 12 TRP QB 1 19 LEU QD . . 4.570 3.358 3.202 3.612 . 0 0 "[ . 1 . 2]" 1 1200 1 19 LEU QD 1 92 TRP HB3 . . 4.310 3.868 3.565 4.970 0.660 9 1 "[ . +1 . 2]" 1 1201 1 12 TRP HE3 1 19 LEU QD . . 3.640 2.041 1.913 2.194 . 0 0 "[ . 1 . 2]" 1 1202 1 65 LYS H 1 85 LYS HA . . 4.290 3.677 3.343 4.086 . 0 0 "[ . 1 . 2]" 1 1203 1 85 LYS HA 1 86 ILE H . . 3.220 2.310 2.185 2.433 . 0 0 "[ . 1 . 2]" 1 1204 1 64 VAL HA 1 85 LYS HA . . 3.450 2.574 2.259 2.819 . 0 0 "[ . 1 . 2]" 1 1205 1 64 VAL HB 1 85 LYS HA . . 4.400 3.708 3.257 4.061 . 0 0 "[ . 1 . 2]" 1 1206 1 64 VAL MG2 1 85 LYS HA . . 4.690 4.626 4.352 4.725 0.035 5 0 "[ . 1 . 2]" 1 1207 1 85 LYS HA 1 85 LYS HG3 . . 4.100 2.811 2.550 3.125 . 0 0 "[ . 1 . 2]" 1 1208 1 19 LEU QD 1 83 LEU QD . . 3.510 2.897 2.637 3.079 . 0 0 "[ . 1 . 2]" 1 1209 1 98 SER HA 1 99 ASP H . . 3.060 2.310 2.217 3.188 0.128 4 0 "[ . 1 . 2]" 1 1210 1 98 SER HA 1 98 SER HB3 . . 3.010 2.655 2.351 3.011 0.001 9 0 "[ . 1 . 2]" 1 1211 1 64 VAL MG1 1 85 LYS HA . . 3.450 2.027 1.935 2.264 . 0 0 "[ . 1 . 2]" 1 1212 1 31 LEU H 1 31 LEU QD . . 3.940 2.928 1.784 3.421 . 0 0 "[ . 1 . 2]" 1 1213 1 29 PHE QD 1 31 LEU QD . . 3.970 3.147 2.377 3.547 . 0 0 "[ . 1 . 2]" 1 1214 1 31 LEU HA 1 31 LEU QD . . 2.950 2.164 1.949 2.549 . 0 0 "[ . 1 . 2]" 1 1215 1 31 LEU QD 1 49 LEU QD . . 3.130 1.774 1.516 2.453 . 0 0 "[ . 1 . 2]" 1 1216 1 25 PHE QD 1 31 LEU QD . . 3.720 2.216 1.808 3.020 . 0 0 "[ . 1 . 2]" 1 1217 1 25 PHE QB 1 31 LEU QD . . 3.530 2.415 2.042 2.924 . 0 0 "[ . 1 . 2]" 1 1218 1 31 LEU QD 1 73 ILE MG . . 3.330 3.054 2.214 3.285 . 0 0 "[ . 1 . 2]" 1 1219 1 94 ARG H 1 94 ARG HG2 . . 3.920 3.864 2.858 4.226 0.306 13 0 "[ . 1 . 2]" 1 1220 1 61 TYR QD 1 94 ARG HG2 . . 4.140 3.962 2.557 4.526 0.386 15 0 "[ . 1 . 2]" 1 1221 1 93 ASN QB 1 94 ARG HG2 . . 4.640 3.687 3.261 4.649 0.009 19 0 "[ . 1 . 2]" 1 1222 1 17 ALA HA 1 88 LYS QG . . 4.040 3.275 1.968 4.085 0.045 19 0 "[ . 1 . 2]" 1 1223 1 65 LYS HG2 1 67 GLU H . . 4.190 3.623 3.089 4.197 0.007 9 0 "[ . 1 . 2]" 1 1224 1 65 LYS HG2 1 66 VAL H . . 4.720 4.416 4.067 4.704 . 0 0 "[ . 1 . 2]" 1 1225 1 65 LYS H 1 65 LYS HG2 . . 4.600 4.609 4.563 4.623 0.023 17 0 "[ . 1 . 2]" 1 1226 1 65 LYS HA 1 65 LYS HG2 . . 3.980 3.345 3.197 3.480 . 0 0 "[ . 1 . 2]" 1 1227 1 65 LYS HG2 1 68 GLU QG . . 4.030 2.070 1.971 2.521 . 0 0 "[ . 1 . 2]" 1 1228 1 65 LYS HG2 1 86 ILE MD . . 4.230 4.203 3.962 4.360 0.130 10 0 "[ . 1 . 2]" 1 1229 1 94 ARG HE 1 94 ARG HG3 . . 4.050 3.371 2.637 3.851 . 0 0 "[ . 1 . 2]" 1 1230 1 61 TYR QD 1 94 ARG HG3 . . 4.220 3.393 2.054 4.301 0.081 7 0 "[ . 1 . 2]" 1 1231 1 65 LYS HG3 1 67 GLU H . . 4.060 3.123 2.444 3.791 . 0 0 "[ . 1 . 2]" 1 1232 1 65 LYS HG3 1 66 VAL H . . 4.510 3.320 2.936 3.663 . 0 0 "[ . 1 . 2]" 1 1233 1 65 LYS HG3 1 68 GLU H . . 3.950 3.493 3.089 3.962 0.012 19 0 "[ . 1 . 2]" 1 1234 1 65 LYS HG3 1 86 ILE MD . . 4.350 3.235 2.846 3.467 . 0 0 "[ . 1 . 2]" 1 1235 1 49 LEU QD 1 52 GLN HE21 . . 4.510 2.755 2.099 4.520 0.010 2 0 "[ . 1 . 2]" 1 1236 1 34 LYS HA 1 36 VAL H . . 4.020 3.604 3.347 3.994 . 0 0 "[ . 1 . 2]" 1 1237 1 34 LYS HA 1 34 LYS QB . . 2.680 2.171 2.158 2.174 . 0 0 "[ . 1 . 2]" 1 1238 1 34 LYS HA 1 34 LYS HD2 . . 4.870 4.570 4.280 5.459 0.589 9 1 "[ . +1 . 2]" 1 1239 1 34 LYS HA 1 34 LYS QG . . 3.740 3.320 3.269 3.392 . 0 0 "[ . 1 . 2]" 1 1240 1 92 TRP HE3 1 95 LEU HA . . 3.160 2.631 1.976 3.212 0.052 15 0 "[ . 1 . 2]" 1 1241 1 12 TRP HZ2 1 95 LEU HA . . 4.650 4.290 3.911 4.583 . 0 0 "[ . 1 . 2]" 1 1242 1 92 TRP HZ3 1 95 LEU HA . . 3.920 3.568 2.821 4.098 0.178 15 0 "[ . 1 . 2]" 1 1243 1 95 LEU HA 1 95 LEU HG . . 3.900 3.467 2.667 3.770 . 0 0 "[ . 1 . 2]" 1 1244 1 19 LEU QD 1 95 LEU HA . . 4.600 3.336 3.026 3.631 . 0 0 "[ . 1 . 2]" 1 1245 1 16 LEU H 1 16 LEU QD . . 4.030 2.560 1.739 3.642 . 0 0 "[ . 1 . 2]" 1 1246 1 16 LEU QD 1 91 TRP HE3 . . 3.780 2.310 1.837 3.439 . 0 0 "[ . 1 . 2]" 1 1247 1 16 LEU HA 1 16 LEU QD . . 3.270 2.208 1.894 2.702 . 0 0 "[ . 1 . 2]" 1 1248 1 72 LEU QD 1 74 GLU HG2 . . 3.650 2.265 1.907 2.692 . 0 0 "[ . 1 . 2]" 1 1249 1 25 PHE QD 1 49 LEU QD . . 3.450 2.224 1.924 2.442 . 0 0 "[ . 1 . 2]" 1 1250 1 49 LEU QD 1 52 GLN HE22 . . 4.290 3.703 2.626 4.235 . 0 0 "[ . 1 . 2]" 1 1251 1 25 PHE QB 1 49 LEU QD . . 3.870 2.488 2.054 3.238 . 0 0 "[ . 1 . 2]" 1 1252 1 49 LEU QD 1 52 GLN QG . . 3.730 3.573 3.307 3.647 . 0 0 "[ . 1 . 2]" 1 1253 1 49 LEU QD 1 52 GLN QB . . 4.160 3.183 2.722 3.443 . 0 0 "[ . 1 . 2]" 1 1254 1 72 LEU QD 1 80 THR H . . 4.610 3.583 2.673 4.084 . 0 0 "[ . 1 . 2]" 1 1255 1 72 LEU QD 1 74 GLU HA . . 4.180 2.790 2.375 3.455 . 0 0 "[ . 1 . 2]" 1 1256 1 120 GLU HA 1 121 THR H . . 3.390 2.585 2.206 3.141 . 0 0 "[ . 1 . 2]" 1 1257 1 120 GLU HA 1 120 GLU HG3 . . 4.200 3.232 2.545 3.956 . 0 0 "[ . 1 . 2]" 1 1258 1 50 LYS HE2 1 50 LYS HG3 . . 4.040 2.576 2.011 3.193 . 0 0 "[ . 1 . 2]" 1 1259 1 50 LYS HA 1 50 LYS HG2 . . 3.840 2.910 2.794 3.002 . 0 0 "[ . 1 . 2]" 1 1260 1 50 LYS HE2 1 50 LYS HG2 . . 4.110 2.641 2.252 3.458 . 0 0 "[ . 1 . 2]" 1 1261 1 110 GLU HA 1 111 ASN H . . 3.090 2.463 2.201 3.215 0.125 16 0 "[ . 1 . 2]" 1 1262 1 110 GLU HA 1 110 GLU HG3 . . 3.890 3.065 2.014 4.086 0.196 5 0 "[ . 1 . 2]" 1 1263 1 32 LYS HA 1 32 LYS HG2 . . 3.870 2.624 2.071 3.519 . 0 0 "[ . 1 . 2]" 1 1264 1 32 LYS H 1 32 LYS HG2 . . 4.160 3.574 2.601 4.275 0.115 15 0 "[ . 1 . 2]" 1 1265 1 32 LYS H 1 32 LYS HG3 . . 4.230 3.482 2.680 4.141 . 0 0 "[ . 1 . 2]" 1 1266 1 32 LYS HD3 1 32 LYS HG3 . . 2.920 2.858 2.471 3.055 0.135 2 0 "[ . 1 . 2]" 1 1267 1 50 LYS HG3 1 51 GLY H . . 4.180 3.531 3.123 4.166 . 0 0 "[ . 1 . 2]" 1 1268 1 50 LYS HG2 1 51 GLY H . . 4.260 3.570 3.057 4.286 0.026 16 0 "[ . 1 . 2]" 1 1269 1 12 TRP HD1 1 21 LEU QD . . 4.280 3.967 3.676 4.250 . 0 0 "[ . 1 . 2]" 1 1270 1 105 LYS HA 1 105 LYS QG . . 3.890 2.595 1.977 3.324 . 0 0 "[ . 1 . 2]" 1 1271 1 10 TYR HA 1 21 LEU QD . . 4.510 4.411 4.300 4.464 . 0 0 "[ . 1 . 2]" 1 1272 1 21 LEU QD 1 22 ALA H . . 3.340 1.863 1.740 1.976 . 0 0 "[ . 1 . 2]" 1 1273 1 11 ARG H 1 21 LEU QD . . 3.760 3.452 3.234 3.710 . 0 0 "[ . 1 . 2]" 1 1274 1 12 TRP HA 1 21 LEU QD . . 3.970 3.023 2.752 3.304 . 0 0 "[ . 1 . 2]" 1 1275 1 21 LEU HA 1 21 LEU QD . . 3.440 2.200 1.982 2.539 . 0 0 "[ . 1 . 2]" 1 1276 1 12 TRP QB 1 21 LEU QD . . 3.340 2.005 1.918 2.147 . 0 0 "[ . 1 . 2]" 1 1277 1 10 TYR HB2 1 21 LEU QD . . 3.420 2.488 2.327 2.656 . 0 0 "[ . 1 . 2]" 1 1278 1 101 GLU HA 1 101 GLU HG3 . . 3.710 3.491 2.957 3.829 0.119 3 0 "[ . 1 . 2]" 1 1279 1 101 GLU HA 1 102 ILE QG . . 4.620 4.239 3.272 4.530 . 0 0 "[ . 1 . 2]" 1 1280 1 70 SER H 1 83 LEU QD . . 4.320 3.779 3.343 4.208 . 0 0 "[ . 1 . 2]" 1 1281 1 64 VAL HB 1 83 LEU QD . . 4.240 3.760 2.903 4.133 . 0 0 "[ . 1 . 2]" 1 1282 1 83 LEU QD 1 84 GLU H . . 3.950 3.457 2.938 3.692 . 0 0 "[ . 1 . 2]" 1 1283 1 69 SER HA 1 83 LEU QD . . 4.370 3.883 3.461 4.282 . 0 0 "[ . 1 . 2]" 1 1284 1 69 SER HB3 1 83 LEU QD . . 3.380 2.870 2.336 3.777 0.397 4 0 "[ . 1 . 2]" 1 1285 1 69 SER HB2 1 83 LEU QD . . 3.850 3.483 2.259 3.858 0.008 10 0 "[ . 1 . 2]" 1 1286 1 31 LEU QD 1 32 LYS H . . 3.780 3.137 2.520 3.609 . 0 0 "[ . 1 . 2]" 1 1287 1 29 PHE QE 1 31 LEU QD . . 3.330 1.994 1.810 2.311 . 0 0 "[ . 1 . 2]" 1 1288 1 31 LEU QD 1 35 ASP QB . . 3.140 2.558 1.852 3.176 0.036 15 0 "[ . 1 . 2]" 1 1289 1 122 ARG HA 1 123 SER H . . 2.930 2.441 2.226 2.723 . 0 0 "[ . 1 . 2]" 1 1290 1 113 LYS HA 1 114 LEU H . . 3.030 2.518 2.178 2.774 . 0 0 "[ . 1 . 2]" 1 1291 1 122 ARG HA 1 122 ARG QG . . 3.660 2.358 1.965 3.430 . 0 0 "[ . 1 . 2]" 1 1292 1 105 LYS HA 1 106 LYS H . . 2.810 2.469 2.200 2.738 . 0 0 "[ . 1 . 2]" 1 1293 1 91 TRP HA 1 92 TRP H . . 2.990 2.262 2.205 2.464 . 0 0 "[ . 1 . 2]" 1 1294 1 91 TRP HA 1 91 TRP HE3 . . 3.620 2.819 2.210 3.442 . 0 0 "[ . 1 . 2]" 1 1295 1 92 TRP HA 1 92 TRP HD1 . . 3.750 2.594 2.283 2.814 . 0 0 "[ . 1 . 2]" 1 1296 1 92 TRP HA 1 94 ARG H . . 4.150 3.691 3.361 4.070 . 0 0 "[ . 1 . 2]" 1 1297 1 61 TYR QE 1 92 TRP HA . . 3.790 3.374 2.694 3.993 0.203 12 0 "[ . 1 . 2]" 1 1298 1 92 TRP HA 1 93 ASN H . . 3.030 2.335 2.205 2.513 . 0 0 "[ . 1 . 2]" 1 1299 1 61 TYR QD 1 92 TRP HA . . 4.060 3.454 2.848 3.853 . 0 0 "[ . 1 . 2]" 1 1300 1 113 LYS HA 1 113 LYS HG3 . . 3.970 3.092 2.011 3.699 . 0 0 "[ . 1 . 2]" 1 1301 1 77 LYS HG3 1 78 VAL H . . 4.700 1.964 1.848 2.441 . 0 0 "[ . 1 . 2]" 1 1302 1 77 LYS H 1 77 LYS HG3 . . 3.980 2.685 2.235 3.535 . 0 0 "[ . 1 . 2]" 1 1303 1 77 LYS HG3 1 78 VAL QG . . 3.790 2.032 1.753 2.767 . 0 0 "[ . 1 . 2]" 1 1304 1 77 LYS HG2 1 78 VAL H . . 4.550 3.035 2.038 3.714 . 0 0 "[ . 1 . 2]" 1 1305 1 77 LYS H 1 77 LYS HG2 . . 3.940 2.757 2.244 3.694 . 0 0 "[ . 1 . 2]" 1 1306 1 77 LYS HG2 1 78 VAL QG . . 3.990 3.293 2.587 3.937 . 0 0 "[ . 1 . 2]" 1 1307 1 30 ARG HA 1 31 LEU H . . 2.720 2.257 2.225 2.320 . 0 0 "[ . 1 . 2]" 1 1308 1 30 ARG HA 1 76 GLY HA3 . . 3.880 2.709 1.993 3.595 . 0 0 "[ . 1 . 2]" 1 1309 1 30 ARG HA 1 76 GLY HA2 . . 4.330 3.808 3.258 4.340 0.010 14 0 "[ . 1 . 2]" 1 1310 1 30 ARG HA 1 30 ARG HG3 . . 3.550 2.191 2.008 3.109 . 0 0 "[ . 1 . 2]" 1 1311 1 30 ARG HA 1 31 LEU HB2 . . 4.380 4.372 4.231 4.524 0.144 9 0 "[ . 1 . 2]" 1 1312 1 41 GLN H 1 45 LEU QD . . 4.160 3.375 2.790 4.074 . 0 0 "[ . 1 . 2]" 1 1313 1 106 LYS HA 1 107 ILE H . . 2.810 2.406 2.177 2.766 . 0 0 "[ . 1 . 2]" 1 1314 1 39 ASP H 1 45 LEU QD . . 3.980 3.819 3.477 3.983 0.003 17 0 "[ . 1 . 2]" 1 1315 1 40 ILE H 1 45 LEU QD . . 4.490 4.103 3.811 4.455 . 0 0 "[ . 1 . 2]" 1 1316 1 45 LEU HA 1 45 LEU QD . . 3.010 2.013 1.866 2.648 . 0 0 "[ . 1 . 2]" 1 1317 1 117 LEU HA 1 118 ASP H . . 3.180 2.412 2.179 2.681 . 0 0 "[ . 1 . 2]" 1 1318 1 117 LEU HA 1 117 LEU MD2 . . 3.420 3.259 2.125 4.128 0.708 8 6 "[ * - + 1 ** . *2]" 1 1319 1 34 LYS QG 1 35 ASP H . . 3.850 2.487 1.878 3.427 . 0 0 "[ . 1 . 2]" 1 1320 1 34 LYS QG 1 35 ASP HA . . 4.730 3.725 3.394 4.210 . 0 0 "[ . 1 . 2]" 1 1321 1 79 VAL MG2 1 80 THR H . . 3.900 3.867 3.697 3.983 0.083 10 0 "[ . 1 . 2]" 1 1322 1 79 VAL H 1 79 VAL MG2 . . 3.380 2.885 2.687 3.146 . 0 0 "[ . 1 . 2]" 1 1323 1 25 PHE QD 1 79 VAL MG2 . . 3.490 2.597 2.269 3.267 . 0 0 "[ . 1 . 2]" 1 1324 1 25 PHE QE 1 79 VAL MG2 . . 3.180 1.867 1.773 1.991 . 0 0 "[ . 1 . 2]" 1 1325 1 73 ILE HA 1 79 VAL MG2 . . 3.870 3.206 2.732 3.753 . 0 0 "[ . 1 . 2]" 1 1326 1 124 MET HA 1 125 VAL H . . 3.260 2.391 2.204 2.778 . 0 0 "[ . 1 . 2]" 1 1327 1 31 LEU HA 1 32 LYS QB . . 4.470 4.237 4.070 4.389 . 0 0 "[ . 1 . 2]" 1 1328 1 31 LEU HA 1 31 LEU HG . . 3.890 2.827 2.439 3.743 . 0 0 "[ . 1 . 2]" 1 1329 1 71 TRP HE3 1 79 VAL MG2 . . 4.170 3.637 3.005 4.112 . 0 0 "[ . 1 . 2]" 1 1330 1 71 TRP HZ3 1 79 VAL MG2 . . 4.170 2.883 1.976 3.753 . 0 0 "[ . 1 . 2]" 1 1331 1 25 PHE HZ 1 79 VAL MG2 . . 4.410 3.666 3.203 4.087 . 0 0 "[ . 1 . 2]" 1 1332 1 92 TRP HE3 1 95 LEU QD . . 3.550 3.236 2.447 3.650 0.100 15 0 "[ . 1 . 2]" 1 1333 1 114 LEU HA 1 115 SER H . . 3.030 2.361 2.183 3.110 0.080 9 0 "[ . 1 . 2]" 1 1334 1 31 LEU HA 1 32 LYS H . . 2.830 2.215 2.178 2.298 . 0 0 "[ . 1 . 2]" 1 1335 1 29 PHE QE 1 31 LEU HA . . 3.900 3.412 2.964 3.731 . 0 0 "[ . 1 . 2]" 1 1336 1 31 LEU HA 1 35 ASP QB . . 4.000 3.874 3.021 4.143 0.143 19 0 "[ . 1 . 2]" 1 1337 1 60 LEU QD 1 92 TRP HE3 . . 4.390 3.925 3.521 4.320 . 0 0 "[ . 1 . 2]" 1 1338 1 60 LEU QD 1 92 TRP HZ3 . . 2.950 2.027 1.809 2.329 . 0 0 "[ . 1 . 2]" 1 1339 1 60 LEU QD 1 96 VAL HA . . 3.740 3.394 2.995 3.691 . 0 0 "[ . 1 . 2]" 1 1340 1 114 LEU HA 1 114 LEU MD2 . . 3.240 3.247 2.274 4.063 0.823 1 7 "[+* ** -1 .* *2]" 1 1341 1 75 ASP H 1 75 ASP HA . . 2.790 2.175 2.167 2.190 . 0 0 "[ . 1 . 2]" 1 1342 1 75 ASP HA 1 76 GLY H . . 3.450 3.073 2.994 3.196 . 0 0 "[ . 1 . 2]" 1 1343 1 16 LEU QD 1 91 TRP H . . 4.610 3.258 2.130 4.415 . 0 0 "[ . 1 . 2]" 1 1344 1 16 LEU QD 1 90 GLU H . . 4.480 3.994 2.849 4.431 . 0 0 "[ . 1 . 2]" 1 1345 1 16 LEU QD 1 91 TRP HB2 . . 4.360 2.091 1.667 2.827 . 0 0 "[ . 1 . 2]" 1 1346 1 16 LEU QD 1 85 LYS QZ . . 4.430 3.142 2.418 3.784 . 0 0 "[ . 1 . 2]" 1 1347 1 16 LEU QD 1 91 TRP HA . . 4.520 2.553 1.909 2.948 . 0 0 "[ . 1 . 2]" 1 1348 1 25 PHE HZ 1 49 LEU QD . . 4.510 3.269 2.259 4.069 . 0 0 "[ . 1 . 2]" 1 1349 1 37 VAL H 1 49 LEU QD . . 4.330 3.589 2.994 4.097 . 0 0 "[ . 1 . 2]" 1 1350 1 49 LEU QD 1 50 LYS H . . 3.690 3.355 2.922 3.631 . 0 0 "[ . 1 . 2]" 1 1351 1 25 PHE QE 1 49 LEU QD . . 3.980 2.331 1.762 2.980 . 0 0 "[ . 1 . 2]" 1 1352 1 49 LEU HA 1 49 LEU QD . . 2.900 2.067 1.928 2.428 . 0 0 "[ . 1 . 2]" 1 1353 1 35 ASP QB 1 49 LEU QD . . 3.700 3.496 2.936 3.686 . 0 0 "[ . 1 . 2]" 1 1354 1 45 LEU H 1 59 GLU HA . . 4.120 4.016 3.543 4.199 0.079 10 0 "[ . 1 . 2]" 1 1355 1 59 GLU HA 1 60 LEU H . . 2.940 2.229 2.201 2.316 . 0 0 "[ . 1 . 2]" 1 1356 1 44 HIS HA 1 59 GLU HA . . 3.250 2.450 1.993 2.747 . 0 0 "[ . 1 . 2]" 1 1357 1 44 HIS HB2 1 59 GLU HA . . 4.550 3.782 2.939 4.515 . 0 0 "[ . 1 . 2]" 1 1358 1 59 GLU HA 1 60 LEU HB2 . . 4.620 4.508 4.387 4.675 0.055 14 0 "[ . 1 . 2]" 1 1359 1 59 GLU HA 1 60 LEU HG . . 4.530 4.321 3.952 5.072 0.542 12 1 "[ . 1 + . 2]" 1 1360 1 64 VAL H 1 64 VAL MG1 . . 3.710 3.204 2.798 3.342 . 0 0 "[ . 1 . 2]" 1 1361 1 64 VAL MG1 1 84 GLU H . . 4.450 3.627 3.124 4.160 . 0 0 "[ . 1 . 2]" 1 1362 1 64 VAL MG1 1 65 LYS H . . 3.780 3.774 3.679 3.813 0.033 15 0 "[ . 1 . 2]" 1 1363 1 64 VAL MG1 1 92 TRP HH2 . . 3.130 1.895 1.752 2.281 . 0 0 "[ . 1 . 2]" 1 1364 1 64 VAL MG1 1 92 TRP HZ2 . . 3.440 2.280 1.873 2.871 . 0 0 "[ . 1 . 2]" 1 1365 1 64 VAL HA 1 64 VAL MG1 . . 3.200 2.189 2.112 2.273 . 0 0 "[ . 1 . 2]" 1 1366 1 26 ARG H 1 27 VAL MG1 . . 3.930 3.841 3.480 3.972 0.042 19 0 "[ . 1 . 2]" 1 1367 1 27 VAL MG1 1 28 SER H . . 3.620 3.507 3.403 3.647 0.027 12 0 "[ . 1 . 2]" 1 1368 1 27 VAL H 1 27 VAL MG1 . . 3.510 3.233 3.044 3.438 . 0 0 "[ . 1 . 2]" 1 1369 1 27 VAL MG1 1 29 PHE HZ . . 3.460 2.422 2.001 3.065 . 0 0 "[ . 1 . 2]" 1 1370 1 27 VAL MG1 1 29 PHE H . . 3.880 3.913 3.837 3.965 0.085 11 0 "[ . 1 . 2]" 1 1371 1 27 VAL HA 1 27 VAL MG1 . . 2.850 2.219 2.082 2.279 . 0 0 "[ . 1 . 2]" 1 1372 1 25 PHE QB 1 27 VAL MG1 . . 3.220 2.711 2.488 3.104 . 0 0 "[ . 1 . 2]" 1 1373 1 27 VAL MG1 1 29 PHE QD . . 4.210 3.789 3.632 3.926 . 0 0 "[ . 1 . 2]" 1 1374 1 72 LEU HA 1 73 ILE H . . 2.870 2.529 2.336 2.671 . 0 0 "[ . 1 . 2]" 1 1375 1 71 TRP HE3 1 72 LEU HA . . 3.730 3.234 2.610 3.661 . 0 0 "[ . 1 . 2]" 1 1376 1 72 LEU HA 1 72 LEU HG . . 4.020 3.807 3.564 4.248 0.228 3 0 "[ . 1 . 2]" 1 1377 1 72 LEU HA 1 72 LEU QD . . 3.770 3.238 3.065 3.400 . 0 0 "[ . 1 . 2]" 1 1378 1 23 VAL H 1 23 VAL MG1 . . 4.100 3.835 3.617 3.908 . 0 0 "[ . 1 . 2]" 1 1379 1 23 VAL MG1 1 79 VAL H . . 4.380 4.085 2.968 4.405 0.025 14 0 "[ . 1 . 2]" 1 1380 1 23 VAL MG1 1 25 PHE QD . . 4.410 3.383 2.874 3.704 . 0 0 "[ . 1 . 2]" 1 1381 1 23 VAL MG1 1 25 PHE QE . . 3.830 2.292 1.818 2.762 . 0 0 "[ . 1 . 2]" 1 1382 1 23 VAL MG1 1 25 PHE HZ . . 3.580 2.686 2.219 3.214 . 0 0 "[ . 1 . 2]" 1 1383 1 23 VAL HA 1 23 VAL MG1 . . 3.200 2.426 2.323 2.643 . 0 0 "[ . 1 . 2]" 1 1384 1 23 VAL MG1 1 24 PRO HD2 . . 3.910 2.968 2.744 3.297 . 0 0 "[ . 1 . 2]" 1 1385 1 23 VAL MG1 1 24 PRO HD3 . . 4.240 3.840 3.704 4.081 . 0 0 "[ . 1 . 2]" 1 1386 1 10 TYR HB3 1 23 VAL MG1 . . 3.740 2.547 1.978 3.557 . 0 0 "[ . 1 . 2]" 1 1387 1 23 VAL MG1 1 55 VAL HB . . 3.610 2.596 1.983 3.677 0.067 18 0 "[ . 1 . 2]" 1 1388 1 19 LEU H 1 84 GLU HA . . 4.360 3.326 2.904 3.734 . 0 0 "[ . 1 . 2]" 1 1389 1 84 GLU HA 1 85 LYS H . . 3.000 2.216 2.202 2.250 . 0 0 "[ . 1 . 2]" 1 1390 1 84 GLU HA 1 84 GLU QG . . 3.560 2.149 1.994 2.592 . 0 0 "[ . 1 . 2]" 1 1391 1 64 VAL HB 1 84 GLU HA . . 4.660 4.615 4.401 4.717 0.057 14 0 "[ . 1 . 2]" 1 1392 1 84 GLU HA 1 85 LYS HB2 . . 4.690 4.599 4.441 4.765 0.075 7 0 "[ . 1 . 2]" 1 1393 1 84 GLU HA 1 85 LYS HG3 . . 4.440 3.816 3.486 4.177 . 0 0 "[ . 1 . 2]" 1 1394 1 60 LEU HA 1 61 TYR H . . 3.200 2.430 2.236 2.525 . 0 0 "[ . 1 . 2]" 1 1395 1 16 LEU H 1 17 ALA MB . . 4.650 4.585 4.517 4.673 0.023 10 0 "[ . 1 . 2]" 1 1396 1 17 ALA MB 1 18 GLU H . . 2.840 2.166 1.911 2.512 . 0 0 "[ . 1 . 2]" 1 1397 1 17 ALA MB 1 88 LYS HA . . 4.210 3.946 3.489 4.221 0.011 20 0 "[ . 1 . 2]" 1 1398 1 17 ALA MB 1 88 LYS QE . . 3.750 3.501 2.491 3.816 0.066 5 0 "[ . 1 . 2]" 1 1399 1 49 LEU H 1 55 VAL QG . . 4.410 4.225 3.944 4.452 0.042 10 0 "[ . 1 . 2]" 1 1400 1 55 VAL H 1 55 VAL QG . . 3.130 1.995 1.886 2.227 . 0 0 "[ . 1 . 2]" 1 1401 1 55 VAL QG 1 56 VAL H . . 3.500 3.278 2.860 3.437 . 0 0 "[ . 1 . 2]" 1 1402 1 25 PHE QD 1 55 VAL QG . . 4.000 3.684 3.464 3.971 . 0 0 "[ . 1 . 2]" 1 1403 1 25 PHE QE 1 55 VAL QG . . 3.190 2.029 1.770 2.389 . 0 0 "[ . 1 . 2]" 1 1404 1 25 PHE HZ 1 55 VAL QG . . 3.460 2.793 2.058 3.408 . 0 0 "[ . 1 . 2]" 1 1405 1 54 PRO HA 1 55 VAL QG . . 3.860 3.549 3.253 3.882 0.022 18 0 "[ . 1 . 2]" 1 1406 1 48 GLY QA 1 55 VAL QG . . 3.430 2.777 2.403 3.516 0.086 18 0 "[ . 1 . 2]" 1 1407 1 55 VAL HA 1 55 VAL QG . . 2.950 2.111 2.038 2.293 . 0 0 "[ . 1 . 2]" 1 1408 1 36 VAL QG 1 37 VAL H . . 3.300 1.824 1.768 1.870 . 0 0 "[ . 1 . 2]" 1 1409 1 36 VAL QG 1 71 TRP HH2 . . 3.380 2.269 1.730 2.931 . 0 0 "[ . 1 . 2]" 1 1410 1 25 PHE QE 1 36 VAL QG . . 4.410 3.201 2.765 3.656 . 0 0 "[ . 1 . 2]" 1 1411 1 36 VAL QG 1 71 TRP HZ3 . . 3.350 2.280 1.872 2.727 . 0 0 "[ . 1 . 2]" 1 1412 1 36 VAL HA 1 36 VAL QG . . 3.250 2.331 2.071 2.605 . 0 0 "[ . 1 . 2]" 1 1413 1 36 VAL QG 1 48 GLY H . . 4.290 3.341 2.871 4.293 0.003 18 0 "[ . 1 . 2]" 1 1414 1 60 LEU HA 1 61 TYR HB2 . . 4.580 4.479 4.226 4.590 0.010 18 0 "[ . 1 . 2]" 1 1415 1 60 LEU HA 1 60 LEU HG . . 4.140 3.017 2.647 3.787 . 0 0 "[ . 1 . 2]" 1 1416 1 10 TYR QD 1 55 VAL QG . . 3.170 2.206 1.879 2.958 . 0 0 "[ . 1 . 2]" 1 1417 1 10 TYR HB3 1 55 VAL QG . . 4.170 2.624 1.945 3.405 . 0 0 "[ . 1 . 2]" 1 1418 1 9 ASN HB3 1 55 VAL QG . . 3.690 2.916 1.993 3.662 . 0 0 "[ . 1 . 2]" 1 1419 1 9 ASN HB2 1 55 VAL QG . . 3.920 3.239 2.340 3.867 . 0 0 "[ . 1 . 2]" 1 1420 1 66 VAL QG 1 67 GLU H . . 3.660 2.375 2.082 3.031 . 0 0 "[ . 1 . 2]" 1 1421 1 66 VAL H 1 66 VAL QG . . 2.850 1.798 1.768 1.830 . 0 0 "[ . 1 . 2]" 1 1422 1 41 GLN H 1 66 VAL QG . . 4.530 3.820 3.284 4.086 . 0 0 "[ . 1 . 2]" 1 1423 1 42 ARG H 1 66 VAL QG . . 3.340 2.503 2.320 2.772 . 0 0 "[ . 1 . 2]" 1 1424 1 41 GLN HA 1 66 VAL QG . . 3.180 2.358 2.082 2.705 . 0 0 "[ . 1 . 2]" 1 1425 1 65 LYS HA 1 66 VAL QG . . 3.870 3.291 3.238 3.387 . 0 0 "[ . 1 . 2]" 1 1426 1 42 ARG HA 1 66 VAL QG . . 3.040 1.941 1.845 2.074 . 0 0 "[ . 1 . 2]" 1 1427 1 65 LYS HA 1 67 GLU H . . 4.340 3.592 3.262 4.369 0.029 17 0 "[ . 1 . 2]" 1 1428 1 65 LYS HA 1 66 VAL H . . 2.860 2.205 2.176 2.272 . 0 0 "[ . 1 . 2]" 1 1429 1 65 LYS HA 1 65 LYS HD3 . . 4.360 4.182 4.011 4.293 . 0 0 "[ . 1 . 2]" 1 1430 1 65 LYS HA 1 65 LYS HG3 . . 3.760 2.097 1.989 2.219 . 0 0 "[ . 1 . 2]" 1 1431 1 97 THR H 1 97 THR MG . . 3.090 2.219 1.833 3.156 0.066 8 0 "[ . 1 . 2]" 1 1432 1 97 THR MG 1 98 SER H . . 3.990 3.905 3.670 4.023 0.033 18 0 "[ . 1 . 2]" 1 1433 1 61 TYR QD 1 97 THR MG . . 3.830 3.590 2.927 3.858 0.028 7 0 "[ . 1 . 2]" 1 1434 1 96 VAL HA 1 97 THR MG . . 4.050 3.434 3.094 3.680 . 0 0 "[ . 1 . 2]" 1 1435 1 97 THR HA 1 97 THR MG . . 3.000 2.430 2.324 2.559 . 0 0 "[ . 1 . 2]" 1 1436 1 61 TYR HA 1 97 THR MG . . 3.090 2.109 1.779 2.795 . 0 0 "[ . 1 . 2]" 1 1437 1 59 GLU HG2 1 97 THR MG . . 3.600 2.831 2.047 3.197 . 0 0 "[ . 1 . 2]" 1 1438 1 65 LYS HA 1 65 LYS HD2 . . 3.820 3.394 3.163 3.606 . 0 0 "[ . 1 . 2]" 1 1439 1 15 THR MG 1 18 GLU HG2 . . 4.430 3.543 2.135 4.667 0.237 7 0 "[ . 1 . 2]" 1 1440 1 15 THR H 1 15 THR MG . . 3.210 2.311 1.924 2.654 . 0 0 "[ . 1 . 2]" 1 1441 1 15 THR MG 1 18 GLU H . . 3.910 2.117 1.819 3.511 . 0 0 "[ . 1 . 2]" 1 1442 1 74 GLU H 1 80 THR MG . . 4.270 3.344 2.823 3.856 . 0 0 "[ . 1 . 2]" 1 1443 1 80 THR H 1 80 THR MG . . 3.450 3.014 2.680 3.512 0.062 3 0 "[ . 1 . 2]" 1 1444 1 72 LEU H 1 80 THR MG . . 4.640 4.681 4.516 4.803 0.163 13 0 "[ . 1 . 2]" 1 1445 1 80 THR MG 1 81 VAL H . . 3.720 3.659 2.968 3.798 0.078 5 0 "[ . 1 . 2]" 1 1446 1 80 THR HA 1 80 THR MG . . 3.080 2.255 2.090 2.415 . 0 0 "[ . 1 . 2]" 1 1447 1 22 ALA HA 1 80 THR MG . . 3.330 2.505 2.058 2.780 . 0 0 "[ . 1 . 2]" 1 1448 1 74 GLU HG3 1 80 THR MG . . 3.590 2.082 1.967 2.232 . 0 0 "[ . 1 . 2]" 1 1449 1 74 GLU HG2 1 80 THR MG . . 3.560 3.538 3.413 3.586 0.026 19 0 "[ . 1 . 2]" 1 1450 1 81 VAL MG1 1 82 HIS H . . 3.250 2.242 1.913 2.859 . 0 0 "[ . 1 . 2]" 1 1451 1 71 TRP HB3 1 81 VAL MG1 . . 3.620 2.622 2.072 3.015 . 0 0 "[ . 1 . 2]" 1 1452 1 74 GLU H 1 78 VAL QG . . 4.450 3.059 2.676 3.704 . 0 0 "[ . 1 . 2]" 1 1453 1 25 PHE H 1 78 VAL QG . . 3.770 3.008 2.482 3.412 . 0 0 "[ . 1 . 2]" 1 1454 1 77 LYS H 1 78 VAL QG . . 3.880 3.519 3.300 3.814 . 0 0 "[ . 1 . 2]" 1 1455 1 78 VAL HA 1 78 VAL QG . . 2.820 2.373 2.121 2.544 . 0 0 "[ . 1 . 2]" 1 1456 1 77 LYS QE 1 78 VAL QG . . 4.100 2.734 1.798 4.036 . 0 0 "[ . 1 . 2]" 1 1457 1 75 ASP HB2 1 78 VAL QG . . 4.270 3.384 2.680 3.957 . 0 0 "[ . 1 . 2]" 1 1458 1 81 VAL H 1 81 VAL MG1 . . 4.110 3.832 3.751 3.904 . 0 0 "[ . 1 . 2]" 1 1459 1 81 VAL MG1 1 83 LEU H . . 4.370 3.754 3.175 3.981 . 0 0 "[ . 1 . 2]" 1 1460 1 71 TRP HA 1 81 VAL MG1 . . 4.060 3.771 3.525 4.060 . 0 0 "[ . 1 . 2]" 1 1461 1 81 VAL HA 1 81 VAL MG1 . . 3.120 2.373 2.270 2.483 . 0 0 "[ . 1 . 2]" 1 1462 1 71 TRP HB2 1 81 VAL MG1 . . 3.960 3.600 3.137 3.970 0.010 1 0 "[ . 1 . 2]" 1 1463 1 79 VAL MG1 1 80 THR H . . 3.410 2.797 2.291 3.246 . 0 0 "[ . 1 . 2]" 1 1464 1 79 VAL H 1 79 VAL MG1 . . 3.950 3.614 3.520 3.711 . 0 0 "[ . 1 . 2]" 1 1465 1 71 TRP HE3 1 79 VAL MG1 . . 3.370 2.489 1.930 3.192 . 0 0 "[ . 1 . 2]" 1 1466 1 71 TRP HZ3 1 79 VAL MG1 . . 4.280 3.334 2.451 4.257 . 0 0 "[ . 1 . 2]" 1 1467 1 71 TRP HB2 1 79 VAL MG1 . . 3.820 3.224 2.818 3.518 . 0 0 "[ . 1 . 2]" 1 1468 1 38 VAL QG 1 79 VAL MG1 . . 2.950 2.167 1.786 2.602 . 0 0 "[ . 1 . 2]" 1 1469 1 79 VAL MG1 1 80 THR HA . . 4.470 3.705 3.442 3.820 . 0 0 "[ . 1 . 2]" 1 1470 1 37 VAL H 1 49 LEU HA . . 3.830 3.136 2.632 3.775 . 0 0 "[ . 1 . 2]" 1 1471 1 49 LEU HA 1 50 LYS H . . 2.970 2.210 2.178 2.251 . 0 0 "[ . 1 . 2]" 1 1472 1 49 LEU HA 1 49 LEU HG . . 4.180 3.148 2.812 3.771 . 0 0 "[ . 1 . 2]" 1 1473 1 36 VAL QG 1 49 LEU HA . . 3.990 3.194 2.557 3.515 . 0 0 "[ . 1 . 2]" 1 1474 1 25 PHE QE 1 79 VAL MG1 . . 4.170 3.450 3.255 3.885 . 0 0 "[ . 1 . 2]" 1 1475 1 73 ILE HA 1 79 VAL MG1 . . 4.170 4.077 3.634 4.227 0.057 10 0 "[ . 1 . 2]" 1 1476 1 23 VAL H 1 78 VAL QG . . 3.350 3.025 2.459 3.342 . 0 0 "[ . 1 . 2]" 1 1477 1 24 PRO HD3 1 78 VAL QG . . 4.370 3.535 2.924 3.886 . 0 0 "[ . 1 . 2]" 1 1478 1 22 ALA HA 1 78 VAL QG . . 3.630 3.393 3.118 3.536 . 0 0 "[ . 1 . 2]" 1 1479 1 96 VAL QG 1 97 THR H . . 3.690 3.212 1.832 3.533 . 0 0 "[ . 1 . 2]" 1 1480 1 59 GLU H 1 96 VAL QG . . 4.210 3.640 1.987 4.027 . 0 0 "[ . 1 . 2]" 1 1481 1 96 VAL QG 1 98 SER H . . 3.730 3.218 1.975 3.493 . 0 0 "[ . 1 . 2]" 1 1482 1 61 TYR H 1 96 VAL QG . . 4.340 4.189 3.827 4.389 0.049 15 0 "[ . 1 . 2]" 1 1483 1 60 LEU H 1 96 VAL QG . . 4.300 3.601 3.039 4.305 0.005 12 0 "[ . 1 . 2]" 1 1484 1 96 VAL H 1 96 VAL QG . . 3.010 1.984 1.748 2.227 . 0 0 "[ . 1 . 2]" 1 1485 1 96 VAL HA 1 96 VAL QG . . 3.030 2.105 2.016 2.325 . 0 0 "[ . 1 . 2]" 1 1486 1 60 LEU HA 1 96 VAL QG . . 3.420 2.513 1.999 3.045 . 0 0 "[ . 1 . 2]" 1 1487 1 58 GLY HA2 1 96 VAL QG . . 3.980 3.517 2.644 3.770 . 0 0 "[ . 1 . 2]" 1 1488 1 58 GLY HA3 1 96 VAL QG . . 3.580 2.358 1.752 2.631 . 0 0 "[ . 1 . 2]" 1 1489 1 38 VAL QG 1 71 TRP HE1 . . 3.850 3.160 2.740 3.568 . 0 0 "[ . 1 . 2]" 1 1490 1 38 VAL QG 1 40 ILE H . . 4.330 3.501 2.730 4.231 . 0 0 "[ . 1 . 2]" 1 1491 1 38 VAL H 1 38 VAL QG . . 3.610 2.953 2.756 3.099 . 0 0 "[ . 1 . 2]" 1 1492 1 38 VAL QG 1 71 TRP HD1 . . 3.530 2.388 1.989 2.708 . 0 0 "[ . 1 . 2]" 1 1493 1 38 VAL QG 1 39 ASP HA . . 4.160 3.863 3.654 4.053 . 0 0 "[ . 1 . 2]" 1 1494 1 38 VAL HA 1 38 VAL QG . . 3.130 2.054 2.009 2.093 . 0 0 "[ . 1 . 2]" 1 1495 1 38 VAL QG 1 71 TRP HB2 . . 3.930 2.513 2.191 2.664 . 0 0 "[ . 1 . 2]" 1 1496 1 38 VAL QG 1 71 TRP HB3 . . 3.650 2.329 1.997 2.623 . 0 0 "[ . 1 . 2]" 1 1497 1 38 VAL QG 1 40 ILE HG12 . . 3.260 3.051 2.868 3.248 . 0 0 "[ . 1 . 2]" 1 1498 1 22 ALA H 1 22 ALA MB . . 2.880 2.640 2.586 2.663 . 0 0 "[ . 1 . 2]" 1 1499 1 11 ARG H 1 22 ALA MB . . 3.660 3.533 3.165 3.679 0.019 4 0 "[ . 1 . 2]" 1 1500 1 11 ARG HE 1 22 ALA MB . . 4.580 3.273 2.159 4.530 . 0 0 "[ . 1 . 2]" 1 1501 1 22 ALA MB 1 80 THR HA . . 3.970 3.285 3.051 3.525 . 0 0 "[ . 1 . 2]" 1 1502 1 21 LEU HA 1 22 ALA MB . . 3.960 3.832 3.795 3.866 . 0 0 "[ . 1 . 2]" 1 1503 1 22 ALA MB 1 24 PRO HD3 . . 4.210 3.620 3.507 3.726 . 0 0 "[ . 1 . 2]" 1 1504 1 11 ARG QD 1 22 ALA MB . . 4.080 2.791 1.947 3.899 . 0 0 "[ . 1 . 2]" 1 1505 1 81 VAL MG2 1 82 HIS H . . 4.030 4.005 3.841 4.078 0.048 15 0 "[ . 1 . 2]" 1 1506 1 72 LEU H 1 81 VAL MG2 . . 4.300 3.933 3.656 4.182 . 0 0 "[ . 1 . 2]" 1 1507 1 81 VAL H 1 81 VAL MG2 . . 3.390 2.862 2.630 3.043 . 0 0 "[ . 1 . 2]" 1 1508 1 80 THR HA 1 81 VAL MG2 . . 3.960 3.452 3.242 3.695 . 0 0 "[ . 1 . 2]" 1 1509 1 81 VAL HA 1 81 VAL MG2 . . 3.210 2.353 2.200 2.439 . 0 0 "[ . 1 . 2]" 1 1510 1 71 TRP HB2 1 81 VAL MG2 . . 3.370 2.183 1.924 2.520 . 0 0 "[ . 1 . 2]" 1 1511 1 71 TRP HB3 1 81 VAL MG2 . . 3.370 2.492 1.965 2.918 . 0 0 "[ . 1 . 2]" 1 1512 1 17 ALA HA 1 88 LYS QB . . 3.620 2.163 1.831 2.833 . 0 0 "[ . 1 . 2]" 1 1513 1 17 ALA HA 1 85 LYS HD3 . . 4.090 3.911 3.204 4.151 0.061 5 0 "[ . 1 . 2]" 1 1514 1 17 ALA HA 1 88 LYS QD . . 4.110 3.274 2.434 4.105 . 0 0 "[ . 1 . 2]" 1 1515 1 17 ALA HA 1 85 LYS HD2 . . 3.930 2.880 2.131 3.467 . 0 0 "[ . 1 . 2]" 1 1516 1 13 THR H 1 13 THR MG . . 3.430 2.630 2.346 2.953 . 0 0 "[ . 1 . 2]" 1 1517 1 13 THR MG 1 20 ASP H . . 4.550 4.524 3.403 4.646 0.096 7 0 "[ . 1 . 2]" 1 1518 1 13 THR MG 1 14 GLN H . . 3.690 3.695 2.046 3.848 0.158 15 0 "[ . 1 . 2]" 1 1519 1 12 TRP HA 1 13 THR MG . . 4.220 3.217 2.824 3.564 . 0 0 "[ . 1 . 2]" 1 1520 1 13 THR HA 1 13 THR MG . . 3.040 2.599 2.426 3.242 0.202 1 0 "[ . 1 . 2]" 1 1521 1 13 THR MG 1 20 ASP HB2 . . 4.260 3.651 1.982 3.951 . 0 0 "[ . 1 . 2]" 1 1522 1 13 THR MG 1 20 ASP HB3 . . 3.930 3.336 2.528 3.816 . 0 0 "[ . 1 . 2]" 1 1523 1 125 VAL H 1 125 VAL QG . . 3.740 2.373 1.990 3.069 . 0 0 "[ . 1 . 2]" 1 1524 1 47 VAL MG1 1 48 GLY H . . 3.200 2.187 1.869 2.968 . 0 0 "[ . 1 . 2]" 1 1525 1 47 VAL MG1 1 56 VAL H . . 4.510 4.009 3.530 4.560 0.050 19 0 "[ . 1 . 2]" 1 1526 1 25 PHE QE 1 47 VAL MG1 . . 3.780 3.557 3.094 3.775 . 0 0 "[ . 1 . 2]" 1 1527 1 25 PHE HZ 1 47 VAL MG1 . . 3.230 2.784 2.226 3.170 . 0 0 "[ . 1 . 2]" 1 1528 1 47 VAL HA 1 47 VAL MG1 . . 3.070 2.385 2.226 2.481 . 0 0 "[ . 1 . 2]" 1 1529 1 47 VAL MG1 1 48 GLY QA . . 3.780 3.130 2.893 3.522 . 0 0 "[ . 1 . 2]" 1 1530 1 23 VAL HB 1 47 VAL MG1 . . 3.540 3.020 2.670 3.505 . 0 0 "[ . 1 . 2]" 1 1531 1 38 VAL QG 1 48 GLY H . . 3.780 3.236 2.744 3.902 0.122 18 0 "[ . 1 . 2]" 1 1532 1 37 VAL H 1 38 VAL QG . . 4.440 3.298 3.119 3.529 . 0 0 "[ . 1 . 2]" 1 1533 1 38 VAL QG 1 71 TRP HE3 . . 3.880 2.834 2.395 3.328 . 0 0 "[ . 1 . 2]" 1 1534 1 38 VAL QG 1 47 VAL HA . . 3.780 2.642 2.350 2.904 . 0 0 "[ . 1 . 2]" 1 1535 1 36 VAL HB 1 38 VAL QG . . 4.030 4.063 3.924 4.234 0.204 13 0 "[ . 1 . 2]" 1 1536 1 38 VAL QG 1 79 VAL MG2 . . 3.740 3.372 2.982 3.711 . 0 0 "[ . 1 . 2]" 1 1537 1 38 VAL QG 1 47 VAL MG1 . . 2.640 2.035 1.794 2.347 . 0 0 "[ . 1 . 2]" 1 1538 1 35 ASP H 1 36 VAL QG . . 3.830 2.854 2.477 3.193 . 0 0 "[ . 1 . 2]" 1 1539 1 33 GLY HA3 1 36 VAL QG . . 4.000 3.777 3.140 4.104 0.104 19 0 "[ . 1 . 2]" 1 1540 1 33 GLY HA2 1 36 VAL QG . . 3.640 2.377 1.819 2.683 . 0 0 "[ . 1 . 2]" 1 1541 1 35 ASP QB 1 36 VAL QG . . 3.650 3.102 2.851 3.411 . 0 0 "[ . 1 . 2]" 1 1542 1 47 VAL H 1 56 VAL MG2 . . 4.460 3.622 3.337 4.028 . 0 0 "[ . 1 . 2]" 1 1543 1 10 TYR HB3 1 56 VAL MG2 . . 4.330 3.740 3.376 4.176 . 0 0 "[ . 1 . 2]" 1 1544 1 10 TYR HB2 1 56 VAL MG2 . . 4.310 3.907 3.566 4.316 0.006 12 0 "[ . 1 . 2]" 1 1545 1 55 VAL HB 1 56 VAL MG2 . . 3.720 2.857 2.374 4.193 0.473 19 0 "[ . 1 . 2]" 1 1546 1 47 VAL HB 1 56 VAL MG2 . . 3.440 2.304 1.872 2.687 . 0 0 "[ . 1 . 2]" 1 1547 1 56 VAL MG2 1 57 ASP H . . 4.310 4.185 4.054 4.335 0.025 6 0 "[ . 1 . 2]" 1 1548 1 56 VAL H 1 56 VAL MG2 . . 3.520 2.558 2.216 2.882 . 0 0 "[ . 1 . 2]" 1 1549 1 10 TYR QD 1 56 VAL MG2 . . 3.370 3.025 2.448 3.358 . 0 0 "[ . 1 . 2]" 1 1550 1 56 VAL HA 1 56 VAL MG2 . . 3.180 2.501 2.407 2.566 . 0 0 "[ . 1 . 2]" 1 1551 1 47 VAL H 1 47 VAL MG2 . . 3.340 2.862 2.268 3.176 . 0 0 "[ . 1 . 2]" 1 1552 1 46 ARG H 1 47 VAL MG2 . . 4.110 3.328 2.860 3.794 . 0 0 "[ . 1 . 2]" 1 1553 1 47 VAL MG2 1 56 VAL H . . 4.400 4.467 4.279 4.590 0.190 17 0 "[ . 1 . 2]" 1 1554 1 46 ARG HA 1 47 VAL MG2 . . 4.300 3.798 3.620 4.080 . 0 0 "[ . 1 . 2]" 1 1555 1 47 VAL HA 1 47 VAL MG2 . . 3.160 2.355 2.204 2.510 . 0 0 "[ . 1 . 2]" 1 1556 1 38 VAL HA 1 47 VAL MG2 . . 3.630 2.545 1.918 2.959 . 0 0 "[ . 1 . 2]" 1 1557 1 56 VAL H 1 56 VAL MG1 . . 4.070 3.863 3.808 3.987 . 0 0 "[ . 1 . 2]" 1 1558 1 10 TYR QE 1 56 VAL MG1 . . 4.370 3.546 2.848 4.143 . 0 0 "[ . 1 . 2]" 1 1559 1 37 VAL QG 1 51 GLY H . . 3.960 3.552 3.214 3.990 0.030 6 0 "[ . 1 . 2]" 1 1560 1 37 VAL H 1 37 VAL QG . . 3.340 2.750 1.908 3.106 . 0 0 "[ . 1 . 2]" 1 1561 1 37 VAL HA 1 37 VAL QG . . 3.050 2.225 2.041 2.617 . 0 0 "[ . 1 . 2]" 1 1562 1 37 VAL QG 1 50 LYS HA . . 3.040 2.070 1.803 2.359 . 0 0 "[ . 1 . 2]" 1 1563 1 23 VAL H 1 23 VAL MG2 . . 3.280 2.843 2.661 3.265 . 0 0 "[ . 1 . 2]" 1 1564 1 11 ARG H 1 23 VAL MG2 . . 4.040 3.829 3.517 4.052 0.012 19 0 "[ . 1 . 2]" 1 1565 1 23 VAL MG2 1 25 PHE QE . . 4.520 4.415 3.946 4.543 0.023 5 0 "[ . 1 . 2]" 1 1566 1 10 TYR QD 1 23 VAL MG2 . . 3.950 3.214 2.852 3.593 . 0 0 "[ . 1 . 2]" 1 1567 1 10 TYR HA 1 23 VAL MG2 . . 4.110 3.926 3.513 4.123 0.013 16 0 "[ . 1 . 2]" 1 1568 1 23 VAL HA 1 23 VAL MG2 . . 3.280 2.364 2.155 2.468 . 0 0 "[ . 1 . 2]" 1 1569 1 10 TYR HB2 1 23 VAL MG2 . . 3.340 2.096 1.923 2.449 . 0 0 "[ . 1 . 2]" 1 1570 1 56 VAL MG1 1 57 ASP H . . 3.430 2.532 2.114 3.042 . 0 0 "[ . 1 . 2]" 1 1571 1 46 ARG HA 1 56 VAL MG1 . . 3.910 3.503 2.814 3.957 0.047 6 0 "[ . 1 . 2]" 1 1572 1 47 VAL HB 1 56 VAL MG1 . . 3.820 3.607 3.378 3.835 0.015 6 0 "[ . 1 . 2]" 1 1573 1 47 VAL H 1 56 VAL MG1 . . 3.920 3.467 3.163 3.916 . 0 0 "[ . 1 . 2]" 1 1574 1 56 VAL HA 1 56 VAL MG1 . . 3.190 2.269 2.152 2.402 . 0 0 "[ . 1 . 2]" 1 1575 1 22 ALA HA 1 23 VAL MG2 . . 4.070 3.625 3.449 4.085 0.015 19 0 "[ . 1 . 2]" 1 1576 1 37 VAL QG 1 39 ASP H . . 3.580 3.446 3.132 3.606 0.026 17 0 "[ . 1 . 2]" 1 1577 1 37 VAL QG 1 38 VAL H . . 3.350 3.074 2.703 3.299 . 0 0 "[ . 1 . 2]" 1 1578 1 37 VAL QG 1 47 VAL HA . . 4.290 3.610 2.325 4.172 . 0 0 "[ . 1 . 2]" 1 1579 1 37 VAL QG 1 38 VAL HA . . 3.960 3.509 3.153 3.785 . 0 0 "[ . 1 . 2]" 1 1580 1 37 VAL QG 1 46 ARG QD . . 3.520 3.320 2.867 3.575 0.055 19 0 "[ . 1 . 2]" 1 1581 1 37 VAL QG 1 39 ASP HB2 . . 3.630 3.471 3.155 3.931 0.301 19 0 "[ . 1 . 2]" 1 1582 1 23 VAL HA 1 24 PRO HD2 . . 3.160 2.189 2.182 2.197 . 0 0 "[ . 1 . 2]" 1 1583 1 23 VAL MG2 1 24 PRO HD2 . . 4.440 4.080 3.731 4.228 . 0 0 "[ . 1 . 2]" 1 1584 1 11 ARG H 1 24 PRO HD2 . . 4.670 4.291 4.036 4.538 . 0 0 "[ . 1 . 2]" 1 1585 1 109 PRO HD3 1 110 GLU H . . 4.530 3.858 3.680 4.603 0.073 14 0 "[ . 1 . 2]" 1 1586 1 108 ASN HA 1 109 PRO HD3 . . 3.010 2.043 1.971 2.241 . 0 0 "[ . 1 . 2]" 1 1587 1 108 ASN QB 1 109 PRO HD3 . . 4.470 3.555 2.911 3.998 . 0 0 "[ . 1 . 2]" 1 1588 1 23 VAL HA 1 24 PRO HD3 . . 3.240 2.106 2.075 2.150 . 0 0 "[ . 1 . 2]" 1 1589 1 52 GLN HA 1 53 PRO HD3 . . 2.950 2.182 2.143 2.214 . 0 0 "[ . 1 . 2]" 1 1590 1 53 PRO HB2 1 54 PRO HD3 . . 4.010 3.954 3.577 4.184 0.174 20 0 "[ . 1 . 2]" 1 1591 1 99 ASP HA 1 100 PRO HD2 . . 2.890 2.802 2.558 3.049 0.159 4 0 "[ . 1 . 2]" 1 1592 1 100 PRO HD2 1 101 GLU H . . 4.370 3.192 2.516 4.709 0.339 9 0 "[ . 1 . 2]" 1 1593 1 23 VAL MG2 1 24 PRO HD3 . . 4.430 4.038 3.884 4.112 . 0 0 "[ . 1 . 2]" 1 1594 1 11 ARG H 1 24 PRO HD3 . . 4.600 3.561 3.232 3.846 . 0 0 "[ . 1 . 2]" 1 1595 1 99 ASP QB 1 100 PRO HD3 . . 3.780 3.016 2.661 3.354 . 0 0 "[ . 1 . 2]" 1 1596 1 52 GLN HA 1 53 PRO HD2 . . 3.240 2.983 2.933 3.024 . 0 0 "[ . 1 . 2]" 1 1597 1 52 GLN QB 1 53 PRO HD2 . . 2.980 1.918 1.711 2.149 . 0 0 "[ . 1 . 2]" 1 1598 1 57 ASP H 1 96 VAL QG . . 4.510 3.414 2.676 4.254 . 0 0 "[ . 1 . 2]" 1 1599 1 96 VAL QG 1 99 ASP H . . 3.890 3.641 2.173 3.872 . 0 0 "[ . 1 . 2]" 1 1600 1 10 TYR QE 1 96 VAL QG . . 4.460 3.874 3.393 4.394 . 0 0 "[ . 1 . 2]" 1 1601 1 96 VAL QG 1 98 SER HA . . 4.600 4.272 3.207 4.739 0.139 4 0 "[ . 1 . 2]" 1 1602 1 96 VAL QG 1 97 THR HA . . 5.100 4.364 3.631 4.759 . 0 0 "[ . 1 . 2]" 1 1603 1 96 VAL QG 1 99 ASP QB . . 4.450 3.431 1.941 4.229 . 0 0 "[ . 1 . 2]" 1 1604 1 95 LEU HB2 1 96 VAL QG . . 4.410 4.001 3.850 4.534 0.124 15 0 "[ . 1 . 2]" 1 1605 1 40 ILE MG 1 41 GLN H . . 3.380 3.236 2.900 3.441 0.061 19 0 "[ . 1 . 2]" 1 1606 1 40 ILE MG 1 69 SER HG . . 4.010 3.143 2.420 3.868 . 0 0 "[ . 1 . 2]" 1 1607 1 40 ILE MG 1 69 SER HB3 . . 3.670 2.061 1.867 2.426 . 0 0 "[ . 1 . 2]" 1 1608 1 40 ILE HA 1 40 ILE MG . . 3.060 2.464 2.360 2.585 . 0 0 "[ . 1 . 2]" 1 1609 1 40 ILE MG 1 66 VAL HB . . 4.030 2.772 2.045 4.089 0.059 14 0 "[ . 1 . 2]" 1 1610 1 62 ASN HA 1 63 GLU H . . 3.300 2.503 2.261 2.786 . 0 0 "[ . 1 . 2]" 1 1611 1 43 ARG HE 1 62 ASN HA . . 4.190 3.440 2.062 4.192 0.002 14 0 "[ . 1 . 2]" 1 1612 1 43 ARG HG3 1 62 ASN HA . . 4.650 3.452 2.739 4.364 . 0 0 "[ . 1 . 2]" 1 1613 1 73 ILE MG 1 74 GLU H . . 3.180 2.979 2.556 3.200 0.020 7 0 "[ . 1 . 2]" 1 1614 1 73 ILE MG 1 76 GLY H . . 3.140 2.822 2.393 3.159 0.019 13 0 "[ . 1 . 2]" 1 1615 1 31 LEU H 1 73 ILE MG . . 4.140 3.246 2.878 3.571 . 0 0 "[ . 1 . 2]" 1 1616 1 73 ILE H 1 73 ILE MG . . 3.730 3.802 3.705 3.861 0.131 13 0 "[ . 1 . 2]" 1 1617 1 73 ILE MG 1 78 VAL H . . 3.550 3.160 2.878 3.561 0.011 1 0 "[ . 1 . 2]" 1 1618 1 73 ILE MG 1 77 LYS H . . 3.460 2.253 1.888 2.798 . 0 0 "[ . 1 . 2]" 1 1619 1 73 ILE HA 1 73 ILE MG . . 3.020 2.414 2.320 2.539 . 0 0 "[ . 1 . 2]" 1 1620 1 31 LEU HA 1 73 ILE MG . . 4.340 4.358 4.256 4.429 0.089 14 0 "[ . 1 . 2]" 1 1621 1 73 ILE MG 1 76 GLY HA3 . . 3.700 3.305 3.163 3.662 . 0 0 "[ . 1 . 2]" 1 1622 1 73 ILE MG 1 76 GLY HA2 . . 3.250 1.897 1.765 2.231 . 0 0 "[ . 1 . 2]" 1 1623 1 73 ILE HG12 1 73 ILE MG . . 3.320 2.282 2.094 2.526 . 0 0 "[ . 1 . 2]" 1 1624 1 64 VAL H 1 64 VAL MG2 . . 3.020 2.174 1.818 2.417 . 0 0 "[ . 1 . 2]" 1 1625 1 64 VAL MG2 1 66 VAL H . . 4.380 4.332 3.944 4.506 0.126 14 0 "[ . 1 . 2]" 1 1626 1 44 HIS H 1 64 VAL MG2 . . 4.410 3.588 3.182 3.924 . 0 0 "[ . 1 . 2]" 1 1627 1 63 GLU HA 1 64 VAL MG2 . . 3.830 3.364 3.256 3.526 . 0 0 "[ . 1 . 2]" 1 1628 1 42 ARG HA 1 64 VAL MG2 . . 3.290 3.003 2.598 3.329 0.039 12 0 "[ . 1 . 2]" 1 1629 1 64 VAL MG2 1 66 VAL HA . . 4.080 4.072 3.864 4.187 0.107 7 0 "[ . 1 . 2]" 1 1630 1 127 GLY HA3 1 128 PRO QD . . 3.480 3.177 2.661 3.412 . 0 0 "[ . 1 . 2]" 1 1631 1 27 VAL MG2 1 28 SER H . . 3.900 3.759 3.368 3.921 0.021 18 0 "[ . 1 . 2]" 1 1632 1 27 VAL H 1 27 VAL MG2 . . 2.880 1.964 1.867 2.111 . 0 0 "[ . 1 . 2]" 1 1633 1 27 VAL MG2 1 29 PHE QE . . 3.870 3.644 3.232 3.906 0.036 19 0 "[ . 1 . 2]" 1 1634 1 25 PHE QD 1 27 VAL MG2 . . 3.930 3.954 3.869 4.000 0.070 11 0 "[ . 1 . 2]" 1 1635 1 27 VAL MG2 1 29 PHE QD . . 3.960 3.612 3.232 3.943 . 0 0 "[ . 1 . 2]" 1 1636 1 27 VAL MG2 1 29 PHE H . . 3.070 3.038 2.810 3.116 0.046 11 0 "[ . 1 . 2]" 1 1637 1 27 VAL HA 1 27 VAL MG2 . . 3.460 3.191 3.173 3.201 . 0 0 "[ . 1 . 2]" 1 1638 1 26 ARG HA 1 27 VAL MG2 . . 3.840 3.793 3.589 3.885 0.045 2 0 "[ . 1 . 2]" 1 1639 1 27 VAL MG2 1 28 SER HA . . 4.470 4.301 4.108 4.471 0.001 14 0 "[ . 1 . 2]" 1 1640 1 27 VAL MG2 1 30 ARG HA . . 4.160 4.153 4.039 4.192 0.032 10 0 "[ . 1 . 2]" 1 1641 1 25 PHE QB 1 27 VAL MG2 . . 3.330 2.494 2.316 2.779 . 0 0 "[ . 1 . 2]" 1 1642 1 27 VAL MG2 1 31 LEU HG . . 3.310 2.660 1.960 3.491 0.181 3 0 "[ . 1 . 2]" 1 1643 1 102 ILE MG 1 103 ASN H . . 3.630 2.060 1.787 3.617 . 0 0 "[ . 1 . 2]" 1 1644 1 102 ILE MG 1 104 THR H . . 4.330 2.829 1.883 4.326 . 0 0 "[ . 1 . 2]" 1 1645 1 7 GLY H 1 8 PRO QD . . 4.520 4.158 3.596 4.326 . 0 0 "[ . 1 . 2]" 1 1646 1 107 ILE MG 1 108 ASN H . . 3.880 3.245 2.428 3.917 0.037 16 0 "[ . 1 . 2]" 1 1647 1 107 ILE H 1 107 ILE MG . . 3.970 3.328 1.839 3.892 . 0 0 "[ . 1 . 2]" 1 1648 1 86 ILE MG 1 87 ASN H . . 3.800 3.488 2.775 3.783 . 0 0 "[ . 1 . 2]" 1 1649 1 86 ILE H 1 86 ILE MG . . 3.850 3.695 3.657 3.736 . 0 0 "[ . 1 . 2]" 1 1650 1 86 ILE HA 1 86 ILE MG . . 2.990 2.430 2.367 2.547 . 0 0 "[ . 1 . 2]" 1 1651 1 33 GLY HA3 1 71 TRP HH2 . . 3.800 3.384 2.980 3.830 0.030 9 0 "[ . 1 . 2]" 1 1652 1 33 GLY HA3 1 34 LYS HA . . 4.670 4.530 4.415 4.639 . 0 0 "[ . 1 . 2]" 1 1653 1 33 GLY HA3 1 73 ILE MD . . 3.580 3.454 3.075 3.623 0.043 14 0 "[ . 1 . 2]" 1 1654 1 33 GLY HA2 1 36 VAL H . . 4.450 3.934 3.261 4.455 0.005 10 0 "[ . 1 . 2]" 1 1655 1 33 GLY HA2 1 71 TRP HH2 . . 3.700 2.192 1.991 2.420 . 0 0 "[ . 1 . 2]" 1 1656 1 33 GLY HA2 1 71 TRP HZ3 . . 4.250 3.626 2.853 4.210 . 0 0 "[ . 1 . 2]" 1 1657 1 33 GLY HA2 1 34 LYS HA . . 4.590 4.481 4.339 4.661 0.071 6 0 "[ . 1 . 2]" 1 1658 1 10 TYR QD 1 23 VAL MG1 . . 4.550 3.749 2.958 4.408 . 0 0 "[ . 1 . 2]" 1 1659 1 10 TYR QD 1 11 ARG H . . 4.170 3.576 2.996 4.047 . 0 0 "[ . 1 . 2]" 1 1660 1 10 TYR QD 1 12 TRP QB . . 4.690 2.727 2.492 3.163 . 0 0 "[ . 1 . 2]" 1 1661 1 61 TYR QD 1 94 ARG H . . 4.420 3.326 2.638 3.735 . 0 0 "[ . 1 . 2]" 1 1662 1 61 TYR QD 1 92 TRP HD1 . . 4.600 3.666 2.759 4.646 0.046 15 0 "[ . 1 . 2]" 1 1663 1 29 PHE QD 1 30 ARG H . . 4.050 3.574 3.159 3.904 . 0 0 "[ . 1 . 2]" 1 1664 1 29 PHE H 1 29 PHE QD . . 3.600 2.862 2.233 3.069 . 0 0 "[ . 1 . 2]" 1 1665 1 29 PHE QD 1 31 LEU HA . . 4.160 3.031 2.791 3.379 . 0 0 "[ . 1 . 2]" 1 1666 1 27 VAL HB 1 29 PHE QD . . 4.240 3.247 2.971 3.466 . 0 0 "[ . 1 . 2]" 1 1667 1 25 PHE QD 1 79 VAL H . . 4.580 4.095 3.556 4.474 . 0 0 "[ . 1 . 2]" 1 1668 1 25 PHE H 1 25 PHE QD . . 3.860 3.675 3.456 3.817 . 0 0 "[ . 1 . 2]" 1 1669 1 25 PHE QD 1 78 VAL HA . . 4.330 3.953 3.207 4.329 . 0 0 "[ . 1 . 2]" 1 1670 1 25 PHE QD 1 79 VAL HB . . 4.700 4.089 3.632 4.659 . 0 0 "[ . 1 . 2]" 1 1671 1 25 PHE QD 1 49 LEU HG . . 4.330 3.454 3.057 3.772 . 0 0 "[ . 1 . 2]" 1 1672 1 25 PHE QD 1 27 VAL MG1 . . 4.510 4.164 3.811 4.523 0.013 15 0 "[ . 1 . 2]" 1 1673 1 27 VAL MG1 1 29 PHE QE . . 4.180 2.468 2.136 2.695 . 0 0 "[ . 1 . 2]" 1 1674 1 25 PHE QE 1 49 LEU H . . 4.510 4.245 3.567 4.519 0.009 5 0 "[ . 1 . 2]" 1 1675 1 25 PHE QE 1 48 GLY QA . . 4.240 3.642 3.175 4.269 0.029 18 0 "[ . 1 . 2]" 1 1676 1 23 VAL HB 1 25 PHE QE . . 4.110 3.799 3.341 4.121 0.011 19 0 "[ . 1 . 2]" 1 1677 1 25 PHE QE 1 79 VAL HB . . 3.720 2.758 2.132 3.373 . 0 0 "[ . 1 . 2]" 1 1678 1 25 PHE QE 1 49 LEU HG . . 3.970 3.150 2.570 4.025 0.055 10 0 "[ . 1 . 2]" 1 1679 1 29 PHE HZ 1 31 LEU QD . . 4.450 3.427 3.179 3.737 . 0 0 "[ . 1 . 2]" 1 1680 1 25 PHE HZ 1 48 GLY QA . . 3.760 2.810 2.287 3.773 0.013 18 0 "[ . 1 . 2]" 1 1681 1 64 VAL MG2 1 92 TRP HH2 . . 4.440 3.213 2.814 3.674 . 0 0 "[ . 1 . 2]" 1 1682 1 10 TYR QD 1 12 TRP HD1 . . 3.640 3.090 2.545 3.646 0.006 2 0 "[ . 1 . 2]" 1 1683 1 14 GLN HG2 1 91 TRP HH2 . . 4.800 4.109 3.247 4.732 . 0 0 "[ . 1 . 2]" 1 1684 1 47 VAL HA 1 48 GLY H . . 2.900 2.319 2.183 2.486 . 0 0 "[ . 1 . 2]" 1 1685 1 73 ILE HA 1 74 GLU H . . 2.930 2.188 2.176 2.205 . 0 0 "[ . 1 . 2]" 1 1686 1 73 ILE HA 1 80 THR H . . 3.940 2.911 2.547 3.393 . 0 0 "[ . 1 . 2]" 1 1687 1 73 ILE HA 1 73 ILE HG12 . . 3.780 2.801 2.579 3.262 . 0 0 "[ . 1 . 2]" 1 1688 1 73 ILE HA 1 73 ILE HG13 . . 3.610 2.883 2.381 3.407 . 0 0 "[ . 1 . 2]" 1 1689 1 61 TYR HB3 1 92 TRP HE3 . . 4.320 3.094 2.488 3.954 . 0 0 "[ . 1 . 2]" 1 1690 1 92 TRP HB2 1 92 TRP HE3 . . 4.080 3.186 2.552 3.408 . 0 0 "[ . 1 . 2]" 1 1691 1 12 TRP HH2 1 14 GLN HE21 . . 4.630 3.313 2.469 3.879 . 0 0 "[ . 1 . 2]" 1 1692 1 40 ILE MD 1 69 SER HA . . 4.020 4.021 3.857 4.102 0.082 8 0 "[ . 1 . 2]" 1 1693 1 69 SER HA 1 70 SER H . . 3.150 2.401 2.279 2.652 . 0 0 "[ . 1 . 2]" 1 1694 1 69 SER HA 1 84 GLU H . . 4.330 4.101 3.321 4.341 0.011 15 0 "[ . 1 . 2]" 1 1695 1 69 SER HA 1 82 HIS HD2 . . 3.880 3.199 2.217 3.759 . 0 0 "[ . 1 . 2]" 1 1696 1 23 VAL H 1 80 THR HA . . 3.920 3.429 3.159 3.632 . 0 0 "[ . 1 . 2]" 1 1697 1 80 THR HA 1 81 VAL H . . 2.950 2.232 2.185 2.321 . 0 0 "[ . 1 . 2]" 1 1698 1 22 ALA HA 1 80 THR HA . . 3.280 2.076 1.925 2.322 . 0 0 "[ . 1 . 2]" 1 1699 1 78 VAL QG 1 80 THR HA . . 4.330 3.942 3.660 4.233 . 0 0 "[ . 1 . 2]" 1 1700 1 64 VAL HA 1 65 LYS H . . 3.120 2.234 2.198 2.302 . 0 0 "[ . 1 . 2]" 1 1701 1 64 VAL HA 1 86 ILE H . . 3.730 2.854 2.246 3.337 . 0 0 "[ . 1 . 2]" 1 1702 1 64 VAL HA 1 64 VAL MG2 . . 3.740 3.208 3.203 3.217 . 0 0 "[ . 1 . 2]" 1 1703 1 92 TRP H 1 92 TRP HD1 . . 4.160 2.804 2.293 3.642 . 0 0 "[ . 1 . 2]" 1 1704 1 85 LYS HE2 1 92 TRP HD1 . . 4.680 3.231 2.806 3.619 . 0 0 "[ . 1 . 2]" 1 1705 1 85 LYS HD3 1 92 TRP HD1 . . 4.540 4.206 3.575 4.582 0.042 9 0 "[ . 1 . 2]" 1 1706 1 12 TRP HZ3 1 14 GLN HB3 . . 4.300 3.142 2.229 4.002 . 0 0 "[ . 1 . 2]" 1 1707 1 14 GLN HG2 1 91 TRP HZ3 . . 4.620 2.718 2.114 3.227 . 0 0 "[ . 1 . 2]" 1 1708 1 14 GLN HG3 1 91 TRP HZ3 . . 4.690 2.842 1.994 3.603 . 0 0 "[ . 1 . 2]" 1 1709 1 95 LEU HB3 1 96 VAL HA . . 4.780 4.614 4.371 4.892 0.112 15 0 "[ . 1 . 2]" 1 1710 1 16 LEU H 1 91 TRP HZ3 . . 4.570 4.248 3.095 4.575 0.005 12 0 "[ . 1 . 2]" 1 1711 1 96 VAL HA 1 97 THR H . . 3.080 2.393 2.199 3.352 0.272 8 0 "[ . 1 . 2]" 1 1712 1 61 TYR H 1 96 VAL HA . . 3.880 3.435 2.898 3.747 . 0 0 "[ . 1 . 2]" 1 1713 1 60 LEU HA 1 96 VAL HA . . 3.450 2.356 1.910 2.843 . 0 0 "[ . 1 . 2]" 1 1714 1 44 HIS HD2 1 59 GLU HA . . 4.220 3.237 2.071 4.234 0.014 1 0 "[ . 1 . 2]" 1 1715 1 71 TRP HB2 1 71 TRP HE3 . . 3.960 2.476 2.404 2.597 . 0 0 "[ . 1 . 2]" 1 1716 1 12 TRP QB 1 12 TRP HE3 . . 3.750 2.509 2.395 2.617 . 0 0 "[ . 1 . 2]" 1 1717 1 12 TRP HE3 1 19 LEU HB3 . . 4.700 4.402 3.912 4.727 0.027 19 0 "[ . 1 . 2]" 1 1718 1 12 TRP HA 1 22 ALA H . . 4.170 3.489 3.295 3.651 . 0 0 "[ . 1 . 2]" 1 1719 1 12 TRP HA 1 13 THR H . . 3.040 2.291 2.221 2.471 . 0 0 "[ . 1 . 2]" 1 1720 1 12 TRP HA 1 12 TRP HE3 . . 4.750 4.002 3.739 4.275 . 0 0 "[ . 1 . 2]" 1 1721 1 71 TRP HA 1 82 HIS H . . 3.890 3.015 2.440 3.450 . 0 0 "[ . 1 . 2]" 1 1722 1 71 TRP HA 1 72 LEU H . . 3.060 2.438 2.350 2.537 . 0 0 "[ . 1 . 2]" 1 1723 1 71 TRP HA 1 71 TRP HE3 . . 4.530 4.180 4.051 4.304 . 0 0 "[ . 1 . 2]" 1 1724 1 71 TRP HA 1 81 VAL HA . . 3.280 2.189 1.994 2.463 . 0 0 "[ . 1 . 2]" 1 1725 1 71 TRP HA 1 81 VAL MG2 . . 3.770 3.586 3.298 3.782 0.012 4 0 "[ . 1 . 2]" 1 1726 1 91 TRP HB2 1 91 TRP HE3 . . 4.060 2.641 2.399 2.980 . 0 0 "[ . 1 . 2]" 1 1727 1 14 GLN HG2 1 91 TRP HE3 . . 4.690 4.055 3.084 4.715 0.025 7 0 "[ . 1 . 2]" 1 1728 1 14 GLN HA 1 15 THR H . . 3.060 2.568 2.355 2.856 . 0 0 "[ . 1 . 2]" 1 1729 1 14 GLN HA 1 15 THR MG . . 4.290 3.739 2.915 4.297 0.007 14 0 "[ . 1 . 2]" 1 1730 1 19 LEU HA 1 19 LEU HG . . 4.180 2.317 2.179 3.603 . 0 0 "[ . 1 . 2]" 1 1731 1 19 LEU HA 1 20 ASP H . . 3.000 2.227 2.177 2.489 . 0 0 "[ . 1 . 2]" 1 1732 1 14 GLN HA 1 19 LEU HA . . 3.200 2.446 2.097 2.988 . 0 0 "[ . 1 . 2]" 1 1733 1 14 GLN HB2 1 19 LEU HA . . 4.230 2.986 2.479 3.292 . 0 0 "[ . 1 . 2]" 1 1734 1 14 GLN HB3 1 19 LEU HA . . 4.210 2.422 1.975 3.005 . 0 0 "[ . 1 . 2]" 1 1735 1 11 ARG HA 1 12 TRP H . . 2.960 2.351 2.276 2.416 . 0 0 "[ . 1 . 2]" 1 1736 1 11 ARG HA 1 11 ARG HG2 . . 4.200 3.296 2.443 4.178 . 0 0 "[ . 1 . 2]" 1 1737 1 11 ARG HA 1 12 TRP HD1 . . 4.420 3.814 3.293 4.266 . 0 0 "[ . 1 . 2]" 1 1738 1 10 TYR QD 1 11 ARG HA . . 4.530 3.826 3.331 4.273 . 0 0 "[ . 1 . 2]" 1 1739 1 81 VAL MG1 1 82 HIS HA . . 4.690 3.748 3.596 3.908 . 0 0 "[ . 1 . 2]" 1 1740 1 21 LEU H 1 82 HIS HA . . 4.350 3.774 3.374 4.128 . 0 0 "[ . 1 . 2]" 1 1741 1 82 HIS HA 1 83 LEU H . . 2.970 2.207 2.186 2.262 . 0 0 "[ . 1 . 2]" 1 1742 1 20 ASP HA 1 82 HIS HA . . 3.540 2.835 2.367 3.188 . 0 0 "[ . 1 . 2]" 1 1743 1 46 ARG HA 1 47 VAL H . . 2.960 2.242 2.225 2.318 . 0 0 "[ . 1 . 2]" 1 1744 1 46 ARG HA 1 46 ARG HG3 . . 3.800 2.537 2.358 2.833 . 0 0 "[ . 1 . 2]" 1 1745 1 10 TYR QE 1 12 TRP HD1 . . 3.850 2.689 2.141 3.296 . 0 0 "[ . 1 . 2]" 1 1746 1 10 TYR QE 1 56 VAL MG2 . . 3.650 3.073 2.417 3.546 . 0 0 "[ . 1 . 2]" 1 1747 1 10 TYR QE 1 55 VAL QG . . 4.480 3.515 3.095 4.027 . 0 0 "[ . 1 . 2]" 1 1748 1 10 TYR QE 1 21 LEU QD . . 4.400 3.128 2.632 3.884 . 0 0 "[ . 1 . 2]" 1 1749 1 10 TYR QE 1 12 TRP HE1 . . 4.730 4.227 3.501 4.725 . 0 0 "[ . 1 . 2]" 1 1750 1 21 LEU HA 1 22 ALA H . . 3.070 2.271 2.219 2.304 . 0 0 "[ . 1 . 2]" 1 1751 1 13 THR H 1 21 LEU HA . . 4.090 3.591 3.415 3.823 . 0 0 "[ . 1 . 2]" 1 1752 1 12 TRP H 1 21 LEU HA . . 4.750 4.638 4.503 4.755 0.005 1 0 "[ . 1 . 2]" 1 1753 1 12 TRP HA 1 21 LEU HA . . 3.290 2.085 1.973 2.272 . 0 0 "[ . 1 . 2]" 1 1754 1 12 TRP QB 1 21 LEU HA . . 3.500 2.767 2.289 3.095 . 0 0 "[ . 1 . 2]" 1 1755 1 61 TYR QE 1 93 ASN H . . 4.050 3.012 1.944 3.591 . 0 0 "[ . 1 . 2]" 1 1756 1 61 TYR QE 1 90 GLU HG3 . . 4.440 3.629 2.992 4.813 0.373 4 0 "[ . 1 . 2]" 1 1757 1 20 ASP HA 1 21 LEU H . . 2.910 2.321 2.258 2.403 . 0 0 "[ . 1 . 2]" 1 1758 1 20 ASP HA 1 83 LEU H . . 4.140 3.706 3.276 4.074 . 0 0 "[ . 1 . 2]" 1 1759 1 20 ASP HA 1 21 LEU HB3 . . 4.540 4.294 4.170 4.412 . 0 0 "[ . 1 . 2]" 1 1760 1 20 ASP HA 1 21 LEU HB2 . . 4.690 4.734 4.688 4.812 0.122 18 0 "[ . 1 . 2]" 1 1761 1 47 VAL H 1 57 ASP HA . . 4.190 4.179 3.986 4.250 0.060 17 0 "[ . 1 . 2]" 1 1762 1 46 ARG HB2 1 57 ASP HA . . 4.160 3.852 3.238 4.267 0.107 19 0 "[ . 1 . 2]" 1 1763 1 46 ARG HG3 1 57 ASP HA . . 4.630 3.002 2.429 3.499 . 0 0 "[ . 1 . 2]" 1 1764 1 56 VAL MG1 1 57 ASP HA . . 4.160 3.534 3.199 3.887 . 0 0 "[ . 1 . 2]" 1 1765 1 41 GLN H 1 45 LEU HA . . 4.400 3.024 2.164 3.488 . 0 0 "[ . 1 . 2]" 1 1766 1 45 LEU HA 1 46 ARG H . . 3.040 2.245 2.177 2.483 . 0 0 "[ . 1 . 2]" 1 1767 1 22 ALA HA 1 23 VAL H . . 2.850 2.201 2.186 2.250 . 0 0 "[ . 1 . 2]" 1 1768 1 22 ALA HA 1 81 VAL H . . 4.110 3.519 3.311 3.840 . 0 0 "[ . 1 . 2]" 1 1769 1 21 LEU QD 1 22 ALA HA . . 3.670 3.012 2.439 3.579 . 0 0 "[ . 1 . 2]" 1 1770 1 38 VAL HB 1 71 TRP HZ2 . . 4.610 3.463 3.077 3.878 . 0 0 "[ . 1 . 2]" 1 1771 1 6 SER HA 1 7 GLY H . . 3.070 2.397 2.216 2.638 . 0 0 "[ . 1 . 2]" 1 1772 1 7 GLY HA3 1 8 PRO QD . . 2.870 2.376 1.939 2.848 . 0 0 "[ . 1 . 2]" 1 1773 1 7 GLY HA2 1 8 PRO QD . . 2.790 2.222 1.865 2.814 0.024 14 0 "[ . 1 . 2]" 1 1774 1 111 ASN HA 1 112 SER H . . 3.470 2.481 2.293 3.590 0.120 17 0 "[ . 1 . 2]" 1 1775 1 9 ASN HA 1 10 TYR H . . 3.500 3.324 2.834 3.634 0.134 20 0 "[ . 1 . 2]" 1 1776 1 10 TYR HA 1 11 ARG H . . 3.160 2.431 2.367 2.522 . 0 0 "[ . 1 . 2]" 1 1777 1 10 TYR HA 1 10 TYR QD . . 4.260 3.759 3.743 3.775 . 0 0 "[ . 1 . 2]" 1 1778 1 10 TYR HA 1 24 PRO HD3 . . 3.920 3.566 3.103 3.933 0.013 8 0 "[ . 1 . 2]" 1 1779 1 10 TYR HA 1 24 PRO HD2 . . 3.760 3.186 2.798 3.432 . 0 0 "[ . 1 . 2]" 1 1780 1 18 GLU HA 1 19 LEU H . . 3.240 2.449 2.383 2.610 . 0 0 "[ . 1 . 2]" 1 1781 1 18 GLU HA 1 85 LYS H . . 3.720 2.957 2.414 3.337 . 0 0 "[ . 1 . 2]" 1 1782 1 18 GLU HA 1 84 GLU HA . . 3.540 2.550 2.140 3.140 . 0 0 "[ . 1 . 2]" 1 1783 1 18 GLU HA 1 85 LYS HG3 . . 4.160 3.711 2.910 4.182 0.022 20 0 "[ . 1 . 2]" 1 1784 1 18 GLU HA 1 18 GLU HG3 . . 4.250 3.275 2.700 3.652 . 0 0 "[ . 1 . 2]" 1 1785 1 29 PHE HA 1 30 ARG H . . 2.960 2.550 2.470 2.685 . 0 0 "[ . 1 . 2]" 1 1786 1 29 PHE HA 1 29 PHE QD . . 4.000 3.725 3.611 3.753 . 0 0 "[ . 1 . 2]" 1 1787 1 29 PHE HA 1 29 PHE HB3 . . 3.020 2.418 2.396 2.479 . 0 0 "[ . 1 . 2]" 1 1788 1 24 PRO HA 1 25 PHE H . . 3.030 2.256 2.149 2.359 . 0 0 "[ . 1 . 2]" 1 1789 1 24 PRO HA 1 78 VAL QG . . 3.410 2.213 1.791 2.738 . 0 0 "[ . 1 . 2]" 1 1790 1 25 PHE HA 1 25 PHE QD . . 3.840 1.990 1.864 2.458 . 0 0 "[ . 1 . 2]" 1 1791 1 26 ARG HA 1 26 ARG HG3 . . 3.760 3.392 2.872 3.956 0.196 11 0 "[ . 1 . 2]" 1 1792 1 26 ARG HA 1 27 VAL H . . 2.770 2.339 2.270 2.425 . 0 0 "[ . 1 . 2]" 1 1793 1 27 VAL HA 1 28 SER H . . 2.840 2.472 2.365 2.683 . 0 0 "[ . 1 . 2]" 1 1794 1 32 LYS HA 1 32 LYS HG3 . . 3.330 3.152 2.244 4.033 0.703 4 1 "[ +. 1 . 2]" 1 1795 1 32 LYS HA 1 33 GLY H . . 3.080 2.666 2.336 3.619 0.539 13 2 "[ .- 1 + . 2]" 1 1796 1 35 ASP HA 1 50 LYS HB3 . . 3.900 3.553 2.914 4.042 0.142 20 0 "[ . 1 . 2]" 1 1797 1 39 ASP HA 1 40 ILE H . . 2.840 2.304 2.254 2.451 . 0 0 "[ . 1 . 2]" 1 1798 1 40 ILE MG 1 41 GLN HA . . 4.360 3.903 3.527 4.097 . 0 0 "[ . 1 . 2]" 1 1799 1 41 GLN HA 1 42 ARG H . . 3.100 2.610 2.375 2.775 . 0 0 "[ . 1 . 2]" 1 1800 1 43 ARG HA 1 43 ARG HG3 . . 3.220 2.223 2.104 2.374 . 0 0 "[ . 1 . 2]" 1 1801 1 43 ARG HA 1 43 ARG HG2 . . 3.730 2.900 2.675 3.310 . 0 0 "[ . 1 . 2]" 1 1802 1 43 ARG HA 1 60 LEU HB3 . . 4.270 3.883 3.524 4.203 . 0 0 "[ . 1 . 2]" 1 1803 1 43 ARG HA 1 60 LEU H . . 4.510 3.555 3.002 4.116 . 0 0 "[ . 1 . 2]" 1 1804 1 44 HIS HA 1 60 LEU HG . . 3.990 3.051 2.383 4.073 0.083 7 0 "[ . 1 . 2]" 1 1805 1 44 HIS HA 1 60 LEU H . . 3.510 2.440 1.934 2.915 . 0 0 "[ . 1 . 2]" 1 1806 1 62 ASN HB3 1 92 TRP HE1 . . 4.520 3.052 2.103 4.347 . 0 0 "[ . 1 . 2]" 1 1807 1 62 ASN HB2 1 92 TRP HE1 . . 4.620 3.375 2.359 4.553 . 0 0 "[ . 1 . 2]" 1 1808 1 63 GLU HA 1 64 VAL H . . 2.880 2.325 2.202 2.480 . 0 0 "[ . 1 . 2]" 1 1809 1 43 ARG HG3 1 63 GLU HA . . 3.660 2.614 1.962 3.050 . 0 0 "[ . 1 . 2]" 1 1810 1 63 GLU HA 1 64 VAL MG1 . . 4.190 3.827 3.546 4.028 . 0 0 "[ . 1 . 2]" 1 1811 1 74 GLU HA 1 74 GLU HG2 . . 3.400 2.071 1.988 2.174 . 0 0 "[ . 1 . 2]" 1 1812 1 70 SER HA 1 71 TRP HD1 . . 4.350 3.572 3.174 3.978 . 0 0 "[ . 1 . 2]" 1 1813 1 70 SER HA 1 71 TRP H . . 3.040 2.399 2.243 2.841 . 0 0 "[ . 1 . 2]" 1 1814 1 74 GLU HA 1 75 ASP H . . 2.810 2.268 2.226 2.339 . 0 0 "[ . 1 . 2]" 1 1815 1 78 VAL HA 1 79 VAL H . . 2.970 2.283 2.182 2.347 . 0 0 "[ . 1 . 2]" 1 1816 1 25 PHE H 1 78 VAL HA . . 3.680 2.786 2.310 3.176 . 0 0 "[ . 1 . 2]" 1 1817 1 81 VAL HA 1 82 HIS H . . 3.100 2.263 2.183 2.363 . 0 0 "[ . 1 . 2]" 1 1818 1 71 TRP HB2 1 81 VAL HA . . 4.150 2.632 2.268 3.060 . 0 0 "[ . 1 . 2]" 1 1819 1 71 TRP HB3 1 81 VAL HA . . 4.090 2.500 2.183 2.808 . 0 0 "[ . 1 . 2]" 1 1820 1 85 LYS HE3 1 92 TRP HE1 . . 4.770 4.416 3.302 4.768 . 0 0 "[ . 1 . 2]" 1 1821 1 17 ALA HA 1 88 LYS HA . . 3.360 2.474 1.981 2.906 . 0 0 "[ . 1 . 2]" 1 1822 1 85 LYS HD3 1 88 LYS HA . . 4.140 2.903 2.386 4.046 . 0 0 "[ . 1 . 2]" 1 1823 1 85 LYS HD2 1 88 LYS HA . . 4.200 3.020 2.633 4.226 0.026 7 0 "[ . 1 . 2]" 1 1824 1 88 LYS HA 1 88 LYS QG . . 3.350 2.817 1.987 3.376 0.026 20 0 "[ . 1 . 2]" 1 1825 1 90 GLU HA 1 90 GLU HG2 . . 4.260 3.680 3.439 3.829 . 0 0 "[ . 1 . 2]" 1 1826 1 12 TRP HH2 1 94 ARG HA . . 4.230 3.608 2.537 4.234 0.004 5 0 "[ . 1 . 2]" 1 1827 1 12 TRP HZ2 1 94 ARG HA . . 3.170 2.380 1.987 3.135 . 0 0 "[ . 1 . 2]" 1 1828 1 94 ARG HA 1 95 LEU H . . 3.260 2.414 2.225 3.005 . 0 0 "[ . 1 . 2]" 1 1829 1 99 ASP HA 1 100 PRO HD3 . . 2.860 2.087 1.978 2.252 . 0 0 "[ . 1 . 2]" 1 1830 1 108 ASN HA 1 109 PRO HD2 . . 3.050 2.709 2.443 3.036 . 0 0 "[ . 1 . 2]" 1 1831 1 116 ASP HA 1 117 LEU H . . 3.250 2.407 2.341 3.039 . 0 0 "[ . 1 . 2]" 1 1832 1 118 ASP HA 1 119 SER H . . 3.380 2.437 2.254 2.986 . 0 0 "[ . 1 . 2]" 1 1833 1 5 SER H 1 5 SER QB . . 3.830 2.808 2.007 3.338 . 0 0 "[ . 1 . 2]" 1 1834 1 5 SER QB 1 6 SER H . . 4.160 3.076 1.926 4.058 . 0 0 "[ . 1 . 2]" 1 1835 1 18 GLU HB3 1 82 HIS HE1 . . 3.940 2.719 1.996 3.587 . 0 0 "[ . 1 . 2]" 1 1836 1 18 GLU HB2 1 82 HIS HE1 . . 4.160 2.879 2.003 3.892 . 0 0 "[ . 1 . 2]" 1 1837 1 18 GLU HG3 1 82 HIS HE1 . . 4.450 4.110 3.499 4.466 0.016 10 0 "[ . 1 . 2]" 1 1838 1 18 GLU HG2 1 82 HIS HE1 . . 3.890 2.899 2.104 3.723 . 0 0 "[ . 1 . 2]" 1 1839 1 44 HIS HE1 1 58 GLY H . . 4.090 3.168 2.265 4.106 0.016 1 0 "[ . 1 . 2]" 1 1840 1 44 HIS HE1 1 57 ASP HA . . 4.560 3.776 2.665 4.631 0.071 1 0 "[ . 1 . 2]" 1 1841 1 44 HIS HE1 1 58 GLY HA2 . . 4.340 3.358 2.294 4.316 . 0 0 "[ . 1 . 2]" 1 1842 1 23 VAL MG1 1 55 VAL QG . . 3.010 1.825 1.592 2.296 . 0 0 "[ . 1 . 2]" 1 1843 1 23 VAL MG1 1 47 VAL MG1 . . 3.190 3.125 2.746 3.280 0.090 10 0 "[ . 1 . 2]" 1 1844 1 37 VAL QG 1 50 LYS HD2 . . 3.510 2.983 2.343 3.486 . 0 0 "[ . 1 . 2]" 1 1845 1 36 VAL QG 1 38 VAL QG . . 3.070 1.976 1.804 2.183 . 0 0 "[ . 1 . 2]" 1 1846 1 36 VAL QG 1 49 LEU QD . . 3.340 2.403 1.605 3.017 . 0 0 "[ . 1 . 2]" 1 1847 1 36 VAL QG 1 79 VAL MG1 . . 3.280 2.608 2.257 2.847 . 0 0 "[ . 1 . 2]" 1 1848 1 36 VAL QG 1 79 VAL MG2 . . 2.920 2.079 1.730 2.369 . 0 0 "[ . 1 . 2]" 1 1849 1 37 VAL QG 1 50 LYS HG3 . . 3.470 2.077 1.872 2.195 . 0 0 "[ . 1 . 2]" 1 1850 1 37 VAL QG 1 50 LYS HG2 . . 3.530 3.463 3.231 3.604 0.074 20 0 "[ . 1 . 2]" 1 1851 1 38 VAL QG 1 47 VAL MG2 . . 2.970 1.967 1.669 2.222 . 0 0 "[ . 1 . 2]" 1 1852 1 38 VAL QG 1 40 ILE HG13 . . 3.300 2.072 1.860 2.382 . 0 0 "[ . 1 . 2]" 1 1853 1 38 VAL QG 1 40 ILE MD . . 2.910 2.303 1.913 2.645 . 0 0 "[ . 1 . 2]" 1 1854 1 38 VAL QG 1 81 VAL MG2 . . 2.880 2.081 1.862 2.440 . 0 0 "[ . 1 . 2]" 1 1855 1 47 VAL MG2 1 56 VAL HB . . 3.350 2.742 2.257 3.059 . 0 0 "[ . 1 . 2]" 1 1856 1 55 VAL QG 1 56 VAL MG2 . . 3.150 2.497 1.676 2.945 . 0 0 "[ . 1 . 2]" 1 1857 1 60 LEU QD 1 96 VAL QG . . 2.990 2.363 1.936 3.106 0.116 15 0 "[ . 1 . 2]" 1 1858 1 19 LEU QD 1 95 LEU QD . . 3.160 2.116 1.771 2.567 . 0 0 "[ . 1 . 2]" 1 1859 1 21 LEU QD 1 56 VAL MG2 . . 2.980 2.313 1.769 2.753 . 0 0 "[ . 1 . 2]" 1 1860 1 21 LEU QD 1 81 VAL MG2 . . 3.110 2.151 1.840 2.628 . 0 0 "[ . 1 . 2]" 1 1861 1 38 VAL QG 1 45 LEU QD . . 3.350 2.849 2.322 3.099 . 0 0 "[ . 1 . 2]" 1 1862 1 40 ILE HG12 1 45 LEU QD . . 3.530 2.049 1.788 2.794 . 0 0 "[ . 1 . 2]" 1 1863 1 31 LEU HB2 1 73 ILE MG . . 3.140 2.218 1.858 2.553 . 0 0 "[ . 1 . 2]" 1 1864 1 36 VAL QG 1 73 ILE MD . . 3.320 1.885 1.723 2.364 . 0 0 "[ . 1 . 2]" 1 1865 1 73 ILE HB 1 73 ILE MD . . 3.020 2.204 1.985 2.488 . 0 0 "[ . 1 . 2]" 1 1866 1 31 LEU HB2 1 73 ILE MD . . 3.540 3.128 2.031 3.528 . 0 0 "[ . 1 . 2]" 1 1867 1 65 LYS HB2 1 86 ILE MD . . 3.170 2.328 1.993 2.768 . 0 0 "[ . 1 . 2]" 1 1868 1 65 LYS HD3 1 86 ILE MD . . 3.580 3.386 2.831 3.587 0.007 17 0 "[ . 1 . 2]" 1 1869 1 86 ILE HG13 1 86 ILE MG . . 3.090 2.503 2.366 2.673 . 0 0 "[ . 1 . 2]" 1 1870 1 17 ALA MB 1 88 LYS QB . . 3.180 2.465 1.907 3.011 . 0 0 "[ . 1 . 2]" 1 1871 1 22 ALA MB 1 78 VAL QG . . 2.740 2.438 2.166 2.705 . 0 0 "[ . 1 . 2]" 1 1872 1 78 VAL QG 1 80 THR MG . . 2.970 2.412 2.108 2.942 . 0 0 "[ . 1 . 2]" 1 1873 1 74 GLU QB 1 80 THR MG . . 3.680 2.591 2.286 2.859 . 0 0 "[ . 1 . 2]" 1 1874 1 45 LEU HB3 1 56 VAL MG1 . . 3.340 2.564 2.149 2.847 . 0 0 "[ . 1 . 2]" 1 1875 1 45 LEU HB2 1 56 VAL MG1 . . 3.920 3.940 3.665 4.073 0.153 19 0 "[ . 1 . 2]" 1 1876 1 47 VAL MG2 1 56 VAL MG2 . . 3.020 3.006 2.662 3.184 0.164 6 0 "[ . 1 . 2]" 1 1877 1 47 VAL MG1 1 56 VAL MG2 . . 3.720 3.109 2.668 3.556 . 0 0 "[ . 1 . 2]" 1 1878 1 45 LEU HG 1 47 VAL MG2 . . 3.030 2.632 2.005 3.615 0.585 16 1 "[ . 1 .+ 2]" 1 1879 1 47 VAL MG1 1 56 VAL HB . . 3.870 3.822 3.684 3.927 0.057 18 0 "[ . 1 . 2]" 1 1880 1 64 VAL MG2 1 66 VAL QG . . 3.310 2.739 2.260 3.245 . 0 0 "[ . 1 . 2]" 1 1881 1 21 LEU QD 1 81 VAL MG1 . . 3.380 3.095 2.686 3.391 0.011 19 0 "[ . 1 . 2]" 1 1882 1 38 VAL QG 1 81 VAL MG1 . . 3.570 2.717 2.220 3.078 . 0 0 "[ . 1 . 2]" 1 1883 1 45 LEU QD 1 60 LEU QD . . 3.330 2.342 1.918 2.666 . 0 0 "[ . 1 . 2]" 1 1884 1 40 ILE HG13 1 40 ILE MG . . 3.140 3.221 3.196 3.240 0.100 11 0 "[ . 1 . 2]" 1 1885 1 40 ILE HG12 1 40 ILE MG . . 3.440 2.356 2.173 2.482 . 0 0 "[ . 1 . 2]" 1 1886 1 31 LEU HB3 1 73 ILE MD . . 3.300 2.567 1.831 3.310 0.010 15 0 "[ . 1 . 2]" 1 1887 1 102 ILE QG 1 102 ILE MG . . 3.320 2.315 2.089 2.618 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 8 _Distance_constraint_stats_list.Viol_count 154 _Distance_constraint_stats_list.Viol_total 1340.722 _Distance_constraint_stats_list.Viol_max 1.253 _Distance_constraint_stats_list.Viol_rms 0.3316 _Distance_constraint_stats_list.Viol_average_all_restraints 0.4190 _Distance_constraint_stats_list.Viol_average_violations_only 0.4353 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 38 VAL 52.079 1.253 6 20 [*****+******-*******] 1 39 ASP 11.780 0.637 12 20 [*******-***+********] 1 47 VAL 40.494 1.253 6 20 [*****+******-*******] 1 55 VAL 3.293 0.224 6 0 "[ . 1 . 2]" 1 56 VAL 7.228 0.370 6 0 "[ . 1 . 2]" 1 57 ASP 2.816 0.370 6 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 38 VAL HA 1 38 VAL HB . . 2.800 3.012 2.993 3.021 0.221 13 0 "[ . 1 . 2]" 2 2 1 38 VAL HB 1 47 VAL HA . . 4.000 4.993 4.675 5.253 1.253 6 20 [*****+*************-] 2 3 1 38 VAL HB 1 39 ASP H . . 4.000 4.589 4.552 4.637 0.637 12 20 [*******-***+********] 2 4 1 55 VAL HA 1 55 VAL HB . . 2.800 2.898 2.501 3.024 0.224 6 0 "[ . 1 . 2]" 2 5 1 56 VAL HB 1 57 ASP H . . 4.000 4.141 3.997 4.370 0.370 6 0 "[ . 1 . 2]" 2 6 1 56 VAL HA 1 56 VAL HB . . 2.800 3.021 3.013 3.025 0.225 3 0 "[ . 1 . 2]" 2 7 1 38 VAL HA 1 47 VAL HB . . 4.000 4.810 4.375 5.106 1.106 17 17 "[***** ******-** +**2]" 2 8 1 47 VAL HA 1 47 VAL HB . . 2.800 3.022 3.013 3.025 0.225 10 0 "[ . 1 . 2]" 2 stop_ save_
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