NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
588381 | 2mk4 | 19751 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mk4 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 1284 _Distance_constraint_stats_list.Viol_count 937 _Distance_constraint_stats_list.Viol_total 195.944 _Distance_constraint_stats_list.Viol_max 0.194 _Distance_constraint_stats_list.Viol_rms 0.0040 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0004 _Distance_constraint_stats_list.Viol_average_violations_only 0.0105 _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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 VAL 0.078 0.078 11 0 "[ . 1 . 2]" 1 8 THR 0.078 0.078 11 0 "[ . 1 . 2]" 1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 34 ARG 0.145 0.081 3 0 "[ . 1 . 2]" 1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 36 ALA 0.080 0.037 6 0 "[ . 1 . 2]" 1 37 ARG 0.120 0.037 6 0 "[ . 1 . 2]" 1 38 SER 0.040 0.024 6 0 "[ . 1 . 2]" 1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 42 LYS 0.714 0.172 19 0 "[ . 1 . 2]" 1 43 VAL 0.651 0.172 19 0 "[ . 1 . 2]" 1 44 PRO 0.063 0.026 9 0 "[ . 1 . 2]" 1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]" 1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 PRO 0.019 0.019 5 0 "[ . 1 . 2]" 1 62 GLU 0.108 0.025 5 0 "[ . 1 . 2]" 1 63 LEU 0.029 0.009 18 0 "[ . 1 . 2]" 1 64 THR 0.358 0.142 18 0 "[ . 1 . 2]" 1 65 VAL 0.268 0.142 18 0 "[ . 1 . 2]" 1 66 SER 0.005 0.003 16 0 "[ . 1 . 2]" 1 67 GLY 0.003 0.001 15 0 "[ . 1 . 2]" 1 68 THR 0.368 0.054 8 0 "[ . 1 . 2]" 1 69 LEU 0.098 0.012 18 0 "[ . 1 . 2]" 1 70 LEU 0.476 0.024 10 0 "[ . 1 . 2]" 1 71 VAL 0.070 0.011 10 0 "[ . 1 . 2]" 1 72 GLU 0.102 0.017 19 0 "[ . 1 . 2]" 1 73 ALA 0.125 0.030 12 0 "[ . 1 . 2]" 1 74 ASP 0.355 0.194 20 0 "[ . 1 . 2]" 1 75 ASP 0.160 0.063 17 0 "[ . 1 . 2]" 1 76 ALA 0.228 0.063 17 0 "[ . 1 . 2]" 1 77 SER 0.125 0.054 20 0 "[ . 1 . 2]" 1 78 ALA 0.092 0.040 12 0 "[ . 1 . 2]" 1 79 LYS 0.233 0.040 12 0 "[ . 1 . 2]" 1 80 ALA 0.178 0.028 12 0 "[ . 1 . 2]" 1 81 LEU 0.246 0.018 17 0 "[ . 1 . 2]" 1 82 ALA 0.131 0.022 8 0 "[ . 1 . 2]" 1 83 THR 0.207 0.014 20 0 "[ . 1 . 2]" 1 84 ARG 0.098 0.011 20 0 "[ . 1 . 2]" 1 85 HIS 0.251 0.018 17 0 "[ . 1 . 2]" 1 86 GLY 0.019 0.007 8 0 "[ . 1 . 2]" 1 87 LEU 0.260 0.029 3 0 "[ . 1 . 2]" 1 88 ASN 0.362 0.054 8 0 "[ . 1 . 2]" 1 89 PHE 0.144 0.015 8 0 "[ . 1 . 2]" 1 90 LYS 0.795 0.063 14 0 "[ . 1 . 2]" 1 91 GLN 0.234 0.062 12 0 "[ . 1 . 2]" 1 92 SER 0.293 0.051 12 0 "[ . 1 . 2]" 1 93 SER 0.081 0.015 19 0 "[ . 1 . 2]" 1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 95 GLY 0.360 0.051 12 0 "[ . 1 . 2]" 1 96 ILE 0.824 0.107 19 0 "[ . 1 . 2]" 1 97 ALA 0.140 0.030 12 0 "[ . 1 . 2]" 1 98 LEU 0.231 0.038 8 0 "[ . 1 . 2]" 1 99 LEU 0.537 0.063 14 0 "[ . 1 . 2]" 1 100 GLU 0.354 0.060 14 0 "[ . 1 . 2]" 1 101 ALA 0.123 0.042 8 0 "[ . 1 . 2]" 1 102 LYS 0.215 0.023 2 0 "[ . 1 . 2]" 1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 105 THR 0.526 0.029 3 0 "[ . 1 . 2]" 1 106 ASP 0.405 0.104 4 0 "[ . 1 . 2]" 1 107 LEU 0.505 0.064 6 0 "[ . 1 . 2]" 1 108 ASN 0.052 0.018 4 0 "[ . 1 . 2]" 1 109 ALA 0.138 0.053 6 0 "[ . 1 . 2]" 1 110 ILE 0.917 0.104 4 0 "[ . 1 . 2]" 1 111 ALA 0.154 0.039 6 0 "[ . 1 . 2]" 1 112 THR 1.140 0.094 9 0 "[ . 1 . 2]" 1 113 LYS 1.190 0.094 9 0 "[ . 1 . 2]" 1 114 LEU 0.106 0.014 12 0 "[ . 1 . 2]" 1 115 LYS 0.241 0.018 9 0 "[ . 1 . 2]" 1 116 SER 0.161 0.020 20 0 "[ . 1 . 2]" 1 117 GLU 0.165 0.020 20 0 "[ . 1 . 2]" 1 118 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 119 VAL 0.173 0.017 20 0 "[ . 1 . 2]" 1 120 ASN 0.024 0.005 12 0 "[ . 1 . 2]" 1 121 VAL 0.650 0.042 12 0 "[ . 1 . 2]" 1 122 GLN 0.035 0.010 20 0 "[ . 1 . 2]" 1 123 ILE 0.110 0.014 8 0 "[ . 1 . 2]" 1 124 GLU 0.102 0.020 7 0 "[ . 1 . 2]" 1 125 LEU 0.031 0.010 15 0 "[ . 1 . 2]" 1 126 SER 0.005 0.002 4 0 "[ . 1 . 2]" 1 127 GLY 0.005 0.002 4 0 "[ . 1 . 2]" 1 128 ALA 0.059 0.014 18 0 "[ . 1 . 2]" 1 129 GLU 0.057 0.014 18 0 "[ . 1 . 2]" 1 130 GLN 0.109 0.085 9 0 "[ . 1 . 2]" 1 131 GLN 0.033 0.032 10 0 "[ . 1 . 2]" 1 132 PRO 0.122 0.085 9 0 "[ . 1 . 2]" 1 133 LYS 0.012 0.012 1 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 6 SER HA 1 7 VAL H . . 3.510 2.272 2.139 2.631 . 0 0 "[ . 1 . 2]" 1 2 1 7 VAL HA 1 8 THR H . . 3.480 2.592 2.146 3.558 0.078 11 0 "[ . 1 . 2]" 1 3 1 8 THR H 1 8 THR HB . . 4.050 3.495 2.713 3.951 . 0 0 "[ . 1 . 2]" 1 4 1 8 THR H 1 8 THR MG . . 4.530 3.270 1.940 4.020 . 0 0 "[ . 1 . 2]" 1 5 1 10 ASP QB 1 11 GLY H . . 3.810 2.978 2.077 3.738 . 0 0 "[ . 1 . 2]" 1 6 1 12 LYS H 1 13 GLN H . . 5.330 4.202 2.715 4.573 . 0 0 "[ . 1 . 2]" 1 7 1 16 THR MG 1 17 ILE H . . 4.240 2.893 1.989 4.053 . 0 0 "[ . 1 . 2]" 1 8 1 30 GLY QA 1 31 SER H . . 2.600 2.249 2.111 2.530 . 0 0 "[ . 1 . 2]" 1 9 1 32 LYS HA 1 32 LYS QG . . 3.690 2.826 2.181 3.429 . 0 0 "[ . 1 . 2]" 1 10 1 32 LYS QB 1 33 LYS H . . 5.070 3.199 2.010 3.901 . 0 0 "[ . 1 . 2]" 1 11 1 33 LYS QB 1 33 LYS QE . . 3.110 2.483 1.988 3.100 . 0 0 "[ . 1 . 2]" 1 12 1 33 LYS QB 1 35 VAL QG . . 5.090 4.201 2.689 5.065 . 0 0 "[ . 1 . 2]" 1 13 1 34 ARG H 1 34 ARG QG . . 3.830 3.086 2.232 3.911 0.081 3 0 "[ . 1 . 2]" 1 14 1 34 ARG H 1 35 VAL QG . . 4.750 3.435 2.792 4.723 . 0 0 "[ . 1 . 2]" 1 15 1 35 VAL H 1 35 VAL QG . . 4.230 2.305 1.882 2.947 . 0 0 "[ . 1 . 2]" 1 16 1 36 ALA H 1 37 ARG H . . 4.470 4.062 3.588 4.394 . 0 0 "[ . 1 . 2]" 1 17 1 36 ALA HA 1 37 ARG QD . . 5.330 4.996 3.018 5.367 0.037 6 0 "[ . 1 . 2]" 1 18 1 36 ALA HA 1 37 ARG QG . . 5.100 3.718 3.176 4.342 . 0 0 "[ . 1 . 2]" 1 19 1 36 ALA MB 1 37 ARG H . . 3.900 3.015 2.129 3.426 . 0 0 "[ . 1 . 2]" 1 20 1 37 ARG H 1 38 SER H . . 3.740 3.711 3.651 3.764 0.024 6 0 "[ . 1 . 2]" 1 21 1 37 ARG HA 1 38 SER HA . . 4.810 4.358 4.335 4.409 . 0 0 "[ . 1 . 2]" 1 22 1 37 ARG HA 1 38 SER QB . . 5.190 4.423 4.138 4.704 . 0 0 "[ . 1 . 2]" 1 23 1 37 ARG QB 1 37 ARG QD . . 3.310 2.153 1.940 2.493 . 0 0 "[ . 1 . 2]" 1 24 1 38 SER H 1 39 LEU H . . 3.650 3.523 2.358 3.646 . 0 0 "[ . 1 . 2]" 1 25 1 38 SER H 1 39 LEU QB . . 4.500 3.655 3.368 4.155 . 0 0 "[ . 1 . 2]" 1 26 1 42 LYS HA 1 42 LYS QG . . 3.730 2.878 2.123 3.429 . 0 0 "[ . 1 . 2]" 1 27 1 42 LYS HA 1 43 VAL H . . 3.520 2.384 2.145 3.475 . 0 0 "[ . 1 . 2]" 1 28 1 42 LYS HA 1 43 VAL QG . . 3.640 3.390 3.093 3.628 . 0 0 "[ . 1 . 2]" 1 29 1 42 LYS QB 1 43 VAL HB . . 5.500 5.289 4.857 5.672 0.172 19 0 "[ . 1 . 2]" 1 30 1 42 LYS QE 1 43 VAL QG . . 5.440 5.014 3.552 5.503 0.063 19 0 "[ . 1 . 2]" 1 31 1 42 LYS QE 1 44 PRO QD . . 4.290 2.996 1.781 3.721 . 0 0 "[ . 1 . 2]" 1 32 1 42 LYS QE 1 44 PRO QG . . 4.290 3.538 2.262 4.316 0.026 9 0 "[ . 1 . 2]" 1 33 1 46 GLN QB 1 47 THR H . . 4.330 3.573 2.604 3.930 . 0 0 "[ . 1 . 2]" 1 34 1 47 THR HA 1 48 LEU H . . 3.510 2.171 2.142 2.254 . 0 0 "[ . 1 . 2]" 1 35 1 47 THR HB 1 48 LEU H . . 4.770 3.909 2.804 4.351 . 0 0 "[ . 1 . 2]" 1 36 1 48 LEU H 1 49 ARG H . . 5.500 3.936 2.710 4.562 . 0 0 "[ . 1 . 2]" 1 37 1 48 LEU HA 1 48 LEU QD . . 4.130 2.641 1.961 3.400 . 0 0 "[ . 1 . 2]" 1 38 1 49 ARG HA 1 50 ARG H . . 2.860 2.290 2.172 2.407 . 0 0 "[ . 1 . 2]" 1 39 1 49 ARG QB 1 49 ARG QD . . 3.040 2.171 2.004 2.496 . 0 0 "[ . 1 . 2]" 1 40 1 49 ARG QB 1 50 ARG H . . 3.280 2.939 2.399 3.263 . 0 0 "[ . 1 . 2]" 1 41 1 49 ARG QD 1 50 ARG H . . 4.650 3.648 2.880 4.552 . 0 0 "[ . 1 . 2]" 1 42 1 49 ARG HD2 1 50 ARG H . . 5.360 4.264 2.940 5.249 . 0 0 "[ . 1 . 2]" 1 43 1 49 ARG HD3 1 50 ARG H . . 5.360 4.217 3.518 5.293 . 0 0 "[ . 1 . 2]" 1 44 1 51 GLY QA 1 52 ASP H . . 2.650 2.145 2.110 2.280 . 0 0 "[ . 1 . 2]" 1 45 1 52 ASP H 1 53 VAL H . . 4.310 3.844 3.548 4.234 . 0 0 "[ . 1 . 2]" 1 46 1 53 VAL MG1 1 54 LEU H . . 5.500 3.394 2.145 3.888 . 0 0 "[ . 1 . 2]" 1 47 1 53 VAL MG2 1 54 LEU H . . 5.500 3.366 2.059 4.247 . 0 0 "[ . 1 . 2]" 1 48 1 58 ALA MB 1 59 ALA H . . 4.890 3.250 1.939 3.670 . 0 0 "[ . 1 . 2]" 1 49 1 59 ALA MB 1 60 SER H . . 4.880 2.861 2.373 3.446 . 0 0 "[ . 1 . 2]" 1 50 1 60 SER HA 1 61 PRO QD . . 3.480 2.075 2.027 2.154 . 0 0 "[ . 1 . 2]" 1 51 1 61 PRO HA 1 62 GLU H . . 2.750 2.380 2.152 2.637 . 0 0 "[ . 1 . 2]" 1 52 1 61 PRO HA 1 62 GLU QB . . 4.320 4.027 3.780 4.339 0.019 5 0 "[ . 1 . 2]" 1 53 1 61 PRO QB 1 62 GLU H . . 3.640 2.645 2.051 3.422 . 0 0 "[ . 1 . 2]" 1 54 1 62 GLU H 1 62 GLU QB . . 3.260 2.975 2.619 3.261 0.001 5 0 "[ . 1 . 2]" 1 55 1 62 GLU H 1 62 GLU QG . . 4.340 3.777 2.365 4.346 0.006 18 0 "[ . 1 . 2]" 1 56 1 62 GLU H 1 63 LEU HG . . 5.070 4.763 3.957 5.070 . 0 0 "[ . 1 . 2]" 1 57 1 62 GLU HA 1 63 LEU H . . 2.510 2.384 2.245 2.518 0.008 13 0 "[ . 1 . 2]" 1 58 1 62 GLU HA 1 63 LEU MD1 . . 4.990 4.510 2.567 4.999 0.009 18 0 "[ . 1 . 2]" 1 59 1 62 GLU HA 1 63 LEU QD . . 4.300 3.463 2.559 3.997 . 0 0 "[ . 1 . 2]" 1 60 1 62 GLU HA 1 63 LEU MD2 . . 4.990 3.929 2.675 4.991 0.001 8 0 "[ . 1 . 2]" 1 61 1 62 GLU QB 1 63 LEU H . . 3.470 2.973 2.160 3.461 . 0 0 "[ . 1 . 2]" 1 62 1 62 GLU QB 1 64 THR H . . 5.340 5.313 5.179 5.365 0.025 5 0 "[ . 1 . 2]" 1 63 1 62 GLU QB 1 64 THR MG . . 4.700 4.318 3.630 4.682 . 0 0 "[ . 1 . 2]" 1 64 1 62 GLU HB2 1 63 LEU H . . 3.990 3.518 2.181 3.971 . 0 0 "[ . 1 . 2]" 1 65 1 62 GLU HB3 1 63 LEU H . . 3.990 3.504 2.799 3.990 . 0 0 "[ . 1 . 2]" 1 66 1 62 GLU QG 1 63 LEU H . . 4.250 2.566 1.933 3.884 . 0 0 "[ . 1 . 2]" 1 67 1 62 GLU QG 1 63 LEU QB . . 5.340 4.613 4.197 5.108 . 0 0 "[ . 1 . 2]" 1 68 1 62 GLU QG 1 63 LEU QD . . 5.200 4.353 3.476 5.009 . 0 0 "[ . 1 . 2]" 1 69 1 62 GLU QG 1 63 LEU HG . . 5.500 4.607 4.014 5.385 . 0 0 "[ . 1 . 2]" 1 70 1 62 GLU QG 1 64 THR H . . 5.500 4.640 3.599 5.505 0.005 13 0 "[ . 1 . 2]" 1 71 1 63 LEU H 1 63 LEU QD . . 4.060 3.066 2.199 3.474 . 0 0 "[ . 1 . 2]" 1 72 1 63 LEU H 1 63 LEU HG . . 3.200 2.688 2.537 3.200 0.000 8 0 "[ . 1 . 2]" 1 73 1 63 LEU H 1 64 THR MG . . 4.720 3.683 3.199 4.156 . 0 0 "[ . 1 . 2]" 1 74 1 63 LEU HA 1 63 LEU MD1 . . 4.150 3.794 3.605 4.104 . 0 0 "[ . 1 . 2]" 1 75 1 63 LEU HA 1 63 LEU QD . . 3.510 3.316 2.602 3.423 . 0 0 "[ . 1 . 2]" 1 76 1 63 LEU HA 1 63 LEU MD2 . . 4.150 3.756 2.638 4.050 . 0 0 "[ . 1 . 2]" 1 77 1 63 LEU HA 1 64 THR H . . 2.700 2.162 2.139 2.233 . 0 0 "[ . 1 . 2]" 1 78 1 63 LEU HA 1 64 THR MG . . 4.740 3.855 3.453 4.249 . 0 0 "[ . 1 . 2]" 1 79 1 63 LEU QB 1 64 THR H . . 3.670 3.189 2.832 3.524 . 0 0 "[ . 1 . 2]" 1 80 1 63 LEU QB 1 64 THR HA . . 4.890 4.145 3.909 4.308 . 0 0 "[ . 1 . 2]" 1 81 1 63 LEU QB 1 64 THR MG . . 5.300 4.637 4.263 4.848 . 0 0 "[ . 1 . 2]" 1 82 1 63 LEU QD 1 64 THR H . . 5.200 4.034 3.628 4.541 . 0 0 "[ . 1 . 2]" 1 83 1 64 THR H 1 64 THR HB . . 3.770 3.638 3.338 3.805 0.035 10 0 "[ . 1 . 2]" 1 84 1 64 THR H 1 64 THR MG . . 3.410 2.810 2.043 3.421 0.011 10 0 "[ . 1 . 2]" 1 85 1 64 THR H 1 65 VAL HB . . 5.500 4.640 4.184 5.535 0.035 10 0 "[ . 1 . 2]" 1 86 1 64 THR H 1 65 VAL QG . . 4.120 3.613 2.571 4.117 . 0 0 "[ . 1 . 2]" 1 87 1 64 THR HA 1 64 THR MG . . 3.330 2.745 2.065 3.203 . 0 0 "[ . 1 . 2]" 1 88 1 64 THR HA 1 65 VAL H . . 2.400 2.215 2.145 2.542 0.142 18 0 "[ . 1 . 2]" 1 89 1 64 THR HA 1 65 VAL QG . . 4.470 3.646 3.305 4.064 . 0 0 "[ . 1 . 2]" 1 90 1 64 THR HA 1 104 GLY QA . . 4.350 2.507 2.102 3.164 . 0 0 "[ . 1 . 2]" 1 91 1 64 THR HB 1 65 VAL QG . . 5.440 4.914 2.948 5.377 . 0 0 "[ . 1 . 2]" 1 92 1 64 THR HB 1 104 GLY QA . . 4.750 4.110 3.509 4.705 . 0 0 "[ . 1 . 2]" 1 93 1 65 VAL H 1 65 VAL QG . . 2.790 2.449 1.983 2.787 . 0 0 "[ . 1 . 2]" 1 94 1 65 VAL H 1 66 SER QB . . 4.960 4.165 3.905 4.527 . 0 0 "[ . 1 . 2]" 1 95 1 65 VAL H 1 106 ASP HA . . 5.470 5.169 4.317 5.502 0.032 18 0 "[ . 1 . 2]" 1 96 1 65 VAL HA 1 66 SER H . . 2.420 2.239 2.173 2.423 0.003 16 0 "[ . 1 . 2]" 1 97 1 65 VAL HA 1 66 SER HA . . 4.740 4.479 4.442 4.577 . 0 0 "[ . 1 . 2]" 1 98 1 65 VAL HA 1 66 SER QB . . 4.190 4.013 3.873 4.138 . 0 0 "[ . 1 . 2]" 1 99 1 65 VAL HB 1 66 SER H . . 4.010 3.807 2.360 4.012 0.002 19 0 "[ . 1 . 2]" 1 100 1 65 VAL QG 1 66 SER H . . 3.100 2.220 1.943 3.098 . 0 0 "[ . 1 . 2]" 1 101 1 65 VAL QG 1 66 SER QB . . 4.420 3.924 3.752 4.129 . 0 0 "[ . 1 . 2]" 1 102 1 65 VAL QG 1 67 GLY H . . 5.390 4.228 3.899 4.917 . 0 0 "[ . 1 . 2]" 1 103 1 65 VAL QG 1 104 GLY QA . . 4.750 4.114 3.509 4.633 . 0 0 "[ . 1 . 2]" 1 104 1 65 VAL QG 1 105 THR H . . 5.030 4.527 4.078 5.028 . 0 0 "[ . 1 . 2]" 1 105 1 65 VAL QG 1 105 THR HB . . 5.440 5.023 4.587 5.444 0.004 3 0 "[ . 1 . 2]" 1 106 1 65 VAL QG 1 106 ASP HA . . 3.360 2.563 2.125 3.003 . 0 0 "[ . 1 . 2]" 1 107 1 65 VAL QG 1 107 LEU H . . 4.530 3.014 2.627 3.614 . 0 0 "[ . 1 . 2]" 1 108 1 65 VAL QG 1 108 ASN H . . 4.470 3.432 2.735 4.039 . 0 0 "[ . 1 . 2]" 1 109 1 65 VAL QG 1 108 ASN QB . . 4.580 3.486 2.472 4.378 . 0 0 "[ . 1 . 2]" 1 110 1 66 SER H 1 66 SER QB . . 3.360 3.041 2.763 3.179 . 0 0 "[ . 1 . 2]" 1 111 1 66 SER H 1 67 GLY H . . 5.130 4.146 3.995 4.360 . 0 0 "[ . 1 . 2]" 1 112 1 66 SER HA 1 67 GLY H . . 2.550 2.190 2.146 2.317 . 0 0 "[ . 1 . 2]" 1 113 1 66 SER HA 1 67 GLY HA2 . . 4.650 4.447 4.404 4.526 . 0 0 "[ . 1 . 2]" 1 114 1 66 SER QB 1 101 ALA MB . . 4.700 3.867 3.398 4.587 . 0 0 "[ . 1 . 2]" 1 115 1 66 SER QB 1 105 THR H . . 4.850 4.103 3.293 4.449 . 0 0 "[ . 1 . 2]" 1 116 1 66 SER QB 1 107 LEU MD2 . . 4.650 3.463 3.283 3.778 . 0 0 "[ . 1 . 2]" 1 117 1 67 GLY H 1 67 GLY HA3 . . 2.950 2.736 2.668 2.815 . 0 0 "[ . 1 . 2]" 1 118 1 67 GLY H 1 68 THR H . . 3.800 3.339 3.148 3.716 . 0 0 "[ . 1 . 2]" 1 119 1 67 GLY H 1 100 GLU HA . . 5.150 5.006 4.832 5.143 . 0 0 "[ . 1 . 2]" 1 120 1 67 GLY H 1 101 ALA H . . 3.810 3.673 3.515 3.809 . 0 0 "[ . 1 . 2]" 1 121 1 67 GLY H 1 101 ALA MB . . 3.390 3.003 2.765 3.233 . 0 0 "[ . 1 . 2]" 1 122 1 67 GLY H 1 107 LEU HB2 . . 5.500 5.155 4.893 5.463 . 0 0 "[ . 1 . 2]" 1 123 1 67 GLY H 1 107 LEU MD1 . . 3.490 2.968 2.605 3.281 . 0 0 "[ . 1 . 2]" 1 124 1 67 GLY H 1 107 LEU MD2 . . 3.750 2.067 1.886 2.358 . 0 0 "[ . 1 . 2]" 1 125 1 67 GLY H 1 107 LEU HG . . 5.500 4.814 4.595 5.056 . 0 0 "[ . 1 . 2]" 1 126 1 67 GLY HA2 1 68 THR MG . . 5.220 4.920 4.615 5.053 . 0 0 "[ . 1 . 2]" 1 127 1 67 GLY HA2 1 101 ALA MB . . 5.480 5.339 5.153 5.480 0.000 9 0 "[ . 1 . 2]" 1 128 1 67 GLY HA2 1 107 LEU MD1 . . 4.530 4.357 4.151 4.531 0.001 15 0 "[ . 1 . 2]" 1 129 1 67 GLY HA2 1 107 LEU MD2 . . 4.390 4.298 4.073 4.391 0.001 15 0 "[ . 1 . 2]" 1 130 1 67 GLY HA2 1 125 LEU HA . . 4.650 3.379 3.034 3.825 . 0 0 "[ . 1 . 2]" 1 131 1 67 GLY HA2 1 125 LEU MD1 . . 4.740 2.942 2.495 3.324 . 0 0 "[ . 1 . 2]" 1 132 1 67 GLY HA2 1 125 LEU QD . . 3.960 2.895 2.436 3.243 . 0 0 "[ . 1 . 2]" 1 133 1 67 GLY HA2 1 125 LEU MD2 . . 4.740 4.401 3.407 4.713 . 0 0 "[ . 1 . 2]" 1 134 1 67 GLY HA2 1 126 SER H . . 3.780 2.687 2.166 3.282 . 0 0 "[ . 1 . 2]" 1 135 1 67 GLY HA3 1 68 THR H . . 2.590 2.212 2.150 2.249 . 0 0 "[ . 1 . 2]" 1 136 1 67 GLY HA3 1 68 THR MG . . 5.180 5.057 4.827 5.156 . 0 0 "[ . 1 . 2]" 1 137 1 67 GLY HA3 1 107 LEU MD1 . . 4.320 3.123 2.887 3.345 . 0 0 "[ . 1 . 2]" 1 138 1 67 GLY HA3 1 107 LEU MD2 . . 4.530 3.537 3.227 3.665 . 0 0 "[ . 1 . 2]" 1 139 1 67 GLY HA3 1 123 ILE MG . . 5.290 5.009 4.788 5.280 . 0 0 "[ . 1 . 2]" 1 140 1 67 GLY HA3 1 125 LEU HA . . 4.260 2.366 2.001 2.819 . 0 0 "[ . 1 . 2]" 1 141 1 67 GLY HA3 1 125 LEU QD . . 4.520 2.204 1.918 2.595 . 0 0 "[ . 1 . 2]" 1 142 1 67 GLY HA3 1 126 SER H . . 3.650 3.018 2.484 3.571 . 0 0 "[ . 1 . 2]" 1 143 1 68 THR H 1 69 LEU H . . 4.620 4.374 4.341 4.424 . 0 0 "[ . 1 . 2]" 1 144 1 68 THR H 1 101 ALA H . . 5.030 4.623 4.423 4.926 . 0 0 "[ . 1 . 2]" 1 145 1 68 THR H 1 107 LEU MD1 . . 3.060 2.273 2.007 2.581 . 0 0 "[ . 1 . 2]" 1 146 1 68 THR H 1 107 LEU MD2 . . 4.580 3.672 3.505 3.877 . 0 0 "[ . 1 . 2]" 1 147 1 68 THR H 1 125 LEU QD . . 4.190 3.145 2.666 3.651 . 0 0 "[ . 1 . 2]" 1 148 1 68 THR HA 1 68 THR MG . . 3.470 2.041 1.965 2.115 . 0 0 "[ . 1 . 2]" 1 149 1 68 THR HA 1 69 LEU H . . 2.580 2.417 2.326 2.496 . 0 0 "[ . 1 . 2]" 1 150 1 68 THR HA 1 98 LEU QB . . 5.500 5.081 4.945 5.294 . 0 0 "[ . 1 . 2]" 1 151 1 68 THR HA 1 100 GLU QG . . 4.280 4.029 3.721 4.286 0.006 19 0 "[ . 1 . 2]" 1 152 1 68 THR HA 1 107 LEU HB3 . . 5.500 5.461 5.283 5.519 0.019 3 0 "[ . 1 . 2]" 1 153 1 68 THR HA 1 107 LEU MD2 . . 4.900 4.759 4.248 4.902 0.002 4 0 "[ . 1 . 2]" 1 154 1 68 THR HB 1 69 LEU QD . . 5.440 5.361 5.236 5.432 . 0 0 "[ . 1 . 2]" 1 155 1 68 THR HB 1 70 LEU H . . 5.220 4.785 4.327 5.097 . 0 0 "[ . 1 . 2]" 1 156 1 68 THR HB 1 70 LEU MD2 . . 4.010 2.980 2.787 3.155 . 0 0 "[ . 1 . 2]" 1 157 1 68 THR HB 1 98 LEU QB . . 4.440 3.705 3.482 3.991 . 0 0 "[ . 1 . 2]" 1 158 1 68 THR HB 1 124 GLU H . . 4.000 3.508 3.304 3.697 . 0 0 "[ . 1 . 2]" 1 159 1 68 THR HB 1 124 GLU HB2 . . 4.120 2.636 2.068 3.536 . 0 0 "[ . 1 . 2]" 1 160 1 68 THR HB 1 124 GLU QB . . 3.620 2.071 1.987 2.188 . 0 0 "[ . 1 . 2]" 1 161 1 68 THR HB 1 124 GLU HB3 . . 4.120 2.395 2.006 3.004 . 0 0 "[ . 1 . 2]" 1 162 1 68 THR HB 1 124 GLU HG2 . . 4.990 4.749 3.894 4.993 0.003 11 0 "[ . 1 . 2]" 1 163 1 68 THR HB 1 124 GLU QG . . 4.370 3.966 3.700 4.274 . 0 0 "[ . 1 . 2]" 1 164 1 68 THR HB 1 124 GLU HG3 . . 4.990 4.289 3.915 4.794 . 0 0 "[ . 1 . 2]" 1 165 1 68 THR HB 1 125 LEU H . . 5.340 4.564 4.122 4.941 . 0 0 "[ . 1 . 2]" 1 166 1 68 THR MG 1 69 LEU H . . 2.880 2.287 2.088 2.545 . 0 0 "[ . 1 . 2]" 1 167 1 68 THR MG 1 70 LEU H . . 5.170 5.047 4.758 5.176 0.006 14 0 "[ . 1 . 2]" 1 168 1 68 THR MG 1 70 LEU HA . . 5.130 4.896 4.706 5.125 . 0 0 "[ . 1 . 2]" 1 169 1 68 THR MG 1 70 LEU MD2 . . 3.470 3.133 3.010 3.325 . 0 0 "[ . 1 . 2]" 1 170 1 68 THR MG 1 88 ASN H . . 5.500 5.510 5.493 5.554 0.054 8 0 "[ . 1 . 2]" 1 171 1 68 THR MG 1 90 LYS H . . 5.370 5.305 5.187 5.381 0.011 11 0 "[ . 1 . 2]" 1 172 1 68 THR MG 1 98 LEU HA . . 4.030 3.286 3.067 3.541 . 0 0 "[ . 1 . 2]" 1 173 1 68 THR MG 1 98 LEU QB . . 3.270 2.278 2.094 2.485 . 0 0 "[ . 1 . 2]" 1 174 1 68 THR MG 1 98 LEU MD1 . . 3.670 2.768 2.609 2.985 . 0 0 "[ . 1 . 2]" 1 175 1 68 THR MG 1 99 LEU H . . 3.670 3.395 3.121 3.674 0.004 17 0 "[ . 1 . 2]" 1 176 1 68 THR MG 1 99 LEU HB2 . . 5.050 4.557 4.457 4.658 . 0 0 "[ . 1 . 2]" 1 177 1 68 THR MG 1 100 GLU H . . 4.820 3.981 3.805 4.061 . 0 0 "[ . 1 . 2]" 1 178 1 68 THR MG 1 100 GLU HA . . 3.870 2.434 2.262 2.579 . 0 0 "[ . 1 . 2]" 1 179 1 68 THR MG 1 100 GLU HB3 . . 4.860 3.898 3.640 4.118 . 0 0 "[ . 1 . 2]" 1 180 1 68 THR MG 1 100 GLU QG . . 3.960 2.415 2.125 2.704 . 0 0 "[ . 1 . 2]" 1 181 1 68 THR MG 1 124 GLU H . . 4.880 4.843 4.739 4.887 0.007 8 0 "[ . 1 . 2]" 1 182 1 68 THR MG 1 124 GLU HB2 . . 5.350 3.995 3.603 4.446 . 0 0 "[ . 1 . 2]" 1 183 1 68 THR MG 1 124 GLU QB . . 4.600 3.362 3.240 3.474 . 0 0 "[ . 1 . 2]" 1 184 1 68 THR MG 1 124 GLU HB3 . . 5.350 3.697 3.336 4.080 . 0 0 "[ . 1 . 2]" 1 185 1 68 THR MG 1 126 SER QB . . 4.880 3.840 3.284 4.349 . 0 0 "[ . 1 . 2]" 1 186 1 69 LEU H 1 69 LEU HB2 . . 3.490 2.901 2.792 2.984 . 0 0 "[ . 1 . 2]" 1 187 1 69 LEU H 1 69 LEU QB . . 2.910 2.700 2.611 2.768 . 0 0 "[ . 1 . 2]" 1 188 1 69 LEU H 1 69 LEU HB3 . . 3.490 3.221 3.126 3.335 . 0 0 "[ . 1 . 2]" 1 189 1 69 LEU H 1 70 LEU HA . . 4.650 4.545 4.399 4.644 . 0 0 "[ . 1 . 2]" 1 190 1 69 LEU H 1 99 LEU H . . 3.090 2.954 2.735 3.095 0.005 3 0 "[ . 1 . 2]" 1 191 1 69 LEU H 1 99 LEU HB2 . . 4.930 3.828 3.656 4.135 . 0 0 "[ . 1 . 2]" 1 192 1 69 LEU H 1 99 LEU HG . . 4.880 4.528 4.367 4.658 . 0 0 "[ . 1 . 2]" 1 193 1 69 LEU H 1 100 GLU QG . . 5.130 4.934 4.704 5.134 0.004 3 0 "[ . 1 . 2]" 1 194 1 69 LEU H 1 124 GLU H . . 4.530 4.438 4.253 4.531 0.001 13 0 "[ . 1 . 2]" 1 195 1 69 LEU HA 1 69 LEU QD . . 3.620 2.313 2.148 2.385 . 0 0 "[ . 1 . 2]" 1 196 1 69 LEU HA 1 69 LEU HG . . 3.770 2.561 2.529 2.597 . 0 0 "[ . 1 . 2]" 1 197 1 69 LEU HA 1 70 LEU H . . 2.550 2.146 2.140 2.169 . 0 0 "[ . 1 . 2]" 1 198 1 69 LEU HA 1 121 VAL HB . . 5.500 5.195 4.953 5.405 . 0 0 "[ . 1 . 2]" 1 199 1 69 LEU HA 1 123 ILE HA . . 3.710 2.857 2.708 3.042 . 0 0 "[ . 1 . 2]" 1 200 1 69 LEU HA 1 123 ILE MG . . 4.510 4.096 3.936 4.318 . 0 0 "[ . 1 . 2]" 1 201 1 69 LEU HA 1 124 GLU H . . 3.420 2.675 2.471 2.834 . 0 0 "[ . 1 . 2]" 1 202 1 69 LEU HA 1 124 GLU QB . . 4.360 3.779 3.591 4.000 . 0 0 "[ . 1 . 2]" 1 203 1 69 LEU QB 1 87 LEU MD1 . . 3.680 2.809 2.504 3.096 . 0 0 "[ . 1 . 2]" 1 204 1 69 LEU QB 1 87 LEU MD2 . . 4.560 3.847 3.589 4.220 . 0 0 "[ . 1 . 2]" 1 205 1 69 LEU QB 1 99 LEU HB2 . . 4.150 3.253 3.038 3.548 . 0 0 "[ . 1 . 2]" 1 206 1 69 LEU QB 1 101 ALA MB . . 3.990 3.454 3.226 3.759 . 0 0 "[ . 1 . 2]" 1 207 1 69 LEU QB 1 107 LEU MD1 . . 4.730 3.431 2.873 3.839 . 0 0 "[ . 1 . 2]" 1 208 1 69 LEU QB 1 110 ILE MG . . 4.680 4.370 4.126 4.538 . 0 0 "[ . 1 . 2]" 1 209 1 69 LEU QB 1 114 LEU QD . . 4.840 4.323 4.025 4.497 . 0 0 "[ . 1 . 2]" 1 210 1 69 LEU QB 1 123 ILE HA . . 5.340 4.550 4.331 4.744 . 0 0 "[ . 1 . 2]" 1 211 1 69 LEU QB 1 123 ILE MD . . 4.390 3.826 3.582 4.144 . 0 0 "[ . 1 . 2]" 1 212 1 69 LEU HB2 1 123 ILE MD . . 5.100 4.106 3.793 4.481 . 0 0 "[ . 1 . 2]" 1 213 1 69 LEU HB3 1 123 ILE MD . . 5.100 4.572 4.360 4.882 . 0 0 "[ . 1 . 2]" 1 214 1 69 LEU QD 1 107 LEU HA . . 3.280 3.003 2.733 3.148 . 0 0 "[ . 1 . 2]" 1 215 1 69 LEU QD 1 107 LEU HB2 . . 4.490 2.677 2.278 3.087 . 0 0 "[ . 1 . 2]" 1 216 1 69 LEU QD 1 110 ILE HA . . 4.460 4.400 4.181 4.472 0.012 18 0 "[ . 1 . 2]" 1 217 1 69 LEU QD 1 110 ILE HB . . 3.900 2.141 1.902 2.289 . 0 0 "[ . 1 . 2]" 1 218 1 69 LEU QD 1 110 ILE MD . . 3.910 2.670 2.443 3.111 . 0 0 "[ . 1 . 2]" 1 219 1 69 LEU QD 1 111 ALA H . . 3.220 2.647 2.465 2.892 . 0 0 "[ . 1 . 2]" 1 220 1 69 LEU QD 1 111 ALA HA . . 3.900 2.839 2.515 3.038 . 0 0 "[ . 1 . 2]" 1 221 1 69 LEU QD 1 111 ALA MB . . 3.420 2.062 1.860 2.517 . 0 0 "[ . 1 . 2]" 1 222 1 69 LEU QD 1 114 LEU QD . . 3.490 2.457 2.273 2.729 . 0 0 "[ . 1 . 2]" 1 223 1 69 LEU QD 1 121 VAL MG2 . . 3.390 2.580 2.338 2.829 . 0 0 "[ . 1 . 2]" 1 224 1 69 LEU QD 1 123 ILE H . . 4.280 4.198 4.100 4.285 0.005 12 0 "[ . 1 . 2]" 1 225 1 69 LEU QD 1 123 ILE HA . . 3.930 2.884 2.666 3.005 . 0 0 "[ . 1 . 2]" 1 226 1 69 LEU QD 1 123 ILE HB . . 5.000 4.983 4.861 5.009 0.009 9 0 "[ . 1 . 2]" 1 227 1 69 LEU QD 1 123 ILE QG . . 3.710 3.612 3.443 3.706 . 0 0 "[ . 1 . 2]" 1 228 1 69 LEU MD1 1 108 ASN HA . . 5.500 4.392 4.043 4.888 . 0 0 "[ . 1 . 2]" 1 229 1 69 LEU MD1 1 111 ALA HA . . 4.570 3.241 2.735 3.564 . 0 0 "[ . 1 . 2]" 1 230 1 69 LEU MD1 1 114 LEU HB2 . . 5.500 5.395 5.057 5.506 0.006 14 0 "[ . 1 . 2]" 1 231 1 69 LEU MD2 1 108 ASN HA . . 5.500 4.982 4.722 5.219 . 0 0 "[ . 1 . 2]" 1 232 1 69 LEU MD2 1 111 ALA HA . . 4.570 3.151 2.936 3.414 . 0 0 "[ . 1 . 2]" 1 233 1 69 LEU MD2 1 114 LEU HB2 . . 5.500 4.950 4.701 5.198 . 0 0 "[ . 1 . 2]" 1 234 1 69 LEU HG 1 107 LEU HA . . 4.830 4.601 4.089 4.837 0.007 11 0 "[ . 1 . 2]" 1 235 1 69 LEU HG 1 107 LEU HB2 . . 3.420 2.907 2.638 3.122 . 0 0 "[ . 1 . 2]" 1 236 1 69 LEU HG 1 108 ASN HA . . 5.500 4.531 4.225 4.820 . 0 0 "[ . 1 . 2]" 1 237 1 69 LEU HG 1 110 ILE HB . . 4.630 4.367 4.014 4.620 . 0 0 "[ . 1 . 2]" 1 238 1 69 LEU HG 1 111 ALA MB . . 4.020 3.473 3.156 3.859 . 0 0 "[ . 1 . 2]" 1 239 1 69 LEU HG 1 123 ILE HA . . 3.840 3.290 3.044 3.551 . 0 0 "[ . 1 . 2]" 1 240 1 69 LEU HG 1 123 ILE MD . . 2.990 2.188 1.939 2.495 . 0 0 "[ . 1 . 2]" 1 241 1 70 LEU H 1 70 LEU HB2 . . 3.070 2.773 2.753 2.804 . 0 0 "[ . 1 . 2]" 1 242 1 70 LEU H 1 70 LEU MD2 . . 2.890 2.778 2.555 2.892 0.002 8 0 "[ . 1 . 2]" 1 243 1 70 LEU H 1 70 LEU HG . . 2.920 2.112 1.988 2.247 . 0 0 "[ . 1 . 2]" 1 244 1 70 LEU H 1 71 VAL H . . 4.680 4.242 4.158 4.363 . 0 0 "[ . 1 . 2]" 1 245 1 70 LEU H 1 71 VAL QG . . 5.440 5.183 5.084 5.250 . 0 0 "[ . 1 . 2]" 1 246 1 70 LEU H 1 99 LEU H . . 4.870 4.846 4.744 4.889 0.019 12 0 "[ . 1 . 2]" 1 247 1 70 LEU H 1 121 VAL HB . . 4.320 4.100 3.940 4.273 . 0 0 "[ . 1 . 2]" 1 248 1 70 LEU H 1 121 VAL MG1 . . 5.500 5.167 4.969 5.375 . 0 0 "[ . 1 . 2]" 1 249 1 70 LEU H 1 122 GLN H . . 3.170 3.063 2.957 3.164 . 0 0 "[ . 1 . 2]" 1 250 1 70 LEU H 1 122 GLN HB3 . . 4.060 3.871 3.733 3.979 . 0 0 "[ . 1 . 2]" 1 251 1 70 LEU H 1 122 GLN QG . . 4.620 4.455 4.188 4.622 0.002 4 0 "[ . 1 . 2]" 1 252 1 70 LEU H 1 123 ILE HA . . 4.090 3.586 3.424 3.734 . 0 0 "[ . 1 . 2]" 1 253 1 70 LEU H 1 123 ILE MG . . 5.500 5.262 5.103 5.411 . 0 0 "[ . 1 . 2]" 1 254 1 70 LEU H 1 124 GLU H . . 3.640 3.393 3.063 3.629 . 0 0 "[ . 1 . 2]" 1 255 1 70 LEU H 1 124 GLU QB . . 4.430 3.733 3.345 4.078 . 0 0 "[ . 1 . 2]" 1 256 1 70 LEU HA 1 70 LEU MD2 . . 3.390 2.188 2.101 2.295 . 0 0 "[ . 1 . 2]" 1 257 1 70 LEU HA 1 70 LEU HG . . 3.950 3.497 3.464 3.529 . 0 0 "[ . 1 . 2]" 1 258 1 70 LEU HA 1 71 VAL H . . 2.400 2.176 2.148 2.188 . 0 0 "[ . 1 . 2]" 1 259 1 70 LEU HA 1 71 VAL HB . . 5.500 4.757 4.683 4.826 . 0 0 "[ . 1 . 2]" 1 260 1 70 LEU HA 1 71 VAL QG . . 4.060 3.705 3.649 3.734 . 0 0 "[ . 1 . 2]" 1 261 1 70 LEU HA 1 96 ILE MG . . 4.560 4.554 4.506 4.584 0.024 10 0 "[ . 1 . 2]" 1 262 1 70 LEU HA 1 98 LEU H . . 4.240 4.194 4.078 4.244 0.004 6 0 "[ . 1 . 2]" 1 263 1 70 LEU HA 1 98 LEU HA . . 3.730 2.317 2.144 2.486 . 0 0 "[ . 1 . 2]" 1 264 1 70 LEU HA 1 121 VAL HB . . 5.500 5.196 5.128 5.272 . 0 0 "[ . 1 . 2]" 1 265 1 70 LEU HA 1 122 GLN HB3 . . 5.350 5.169 5.037 5.312 . 0 0 "[ . 1 . 2]" 1 266 1 70 LEU HB2 1 70 LEU MD1 . . 3.450 2.327 2.255 2.449 . 0 0 "[ . 1 . 2]" 1 267 1 70 LEU HB2 1 70 LEU MD2 . . 3.270 3.180 3.176 3.193 . 0 0 "[ . 1 . 2]" 1 268 1 70 LEU HB2 1 96 ILE QG . . 5.340 4.542 4.111 4.954 . 0 0 "[ . 1 . 2]" 1 269 1 70 LEU HB2 1 96 ILE MG . . 3.350 3.320 3.199 3.374 0.024 12 0 "[ . 1 . 2]" 1 270 1 70 LEU HB2 1 121 VAL HA . . 5.120 3.636 3.444 3.837 . 0 0 "[ . 1 . 2]" 1 271 1 70 LEU HB2 1 121 VAL HB . . 4.970 4.152 4.061 4.312 . 0 0 "[ . 1 . 2]" 1 272 1 70 LEU HB2 1 121 VAL MG2 . . 5.500 5.167 5.075 5.349 . 0 0 "[ . 1 . 2]" 1 273 1 70 LEU HB2 1 122 GLN H . . 3.560 2.268 2.179 2.409 . 0 0 "[ . 1 . 2]" 1 274 1 70 LEU HB2 1 122 GLN HB2 . . 4.200 3.743 3.637 3.962 . 0 0 "[ . 1 . 2]" 1 275 1 70 LEU HB2 1 122 GLN HB3 . . 4.490 2.369 2.233 2.537 . 0 0 "[ . 1 . 2]" 1 276 1 70 LEU HB2 1 122 GLN QG . . 4.380 4.087 3.865 4.347 . 0 0 "[ . 1 . 2]" 1 277 1 70 LEU HB3 1 70 LEU MD2 . . 3.490 2.379 2.334 2.438 . 0 0 "[ . 1 . 2]" 1 278 1 70 LEU HB3 1 71 VAL H . . 3.980 3.826 3.679 3.879 . 0 0 "[ . 1 . 2]" 1 279 1 70 LEU HB3 1 96 ILE MG . . 3.840 3.209 3.087 3.303 . 0 0 "[ . 1 . 2]" 1 280 1 70 LEU HB3 1 97 ALA H . . 5.030 4.646 4.359 5.043 0.013 14 0 "[ . 1 . 2]" 1 281 1 70 LEU HB3 1 122 GLN H . . 5.080 3.972 3.878 4.104 . 0 0 "[ . 1 . 2]" 1 282 1 70 LEU HB3 1 122 GLN HB2 . . 5.500 5.153 5.025 5.402 . 0 0 "[ . 1 . 2]" 1 283 1 70 LEU HB3 1 122 GLN HB3 . . 4.160 3.713 3.551 3.886 . 0 0 "[ . 1 . 2]" 1 284 1 70 LEU HB3 1 122 GLN QG . . 5.500 5.116 4.810 5.501 0.001 4 0 "[ . 1 . 2]" 1 285 1 70 LEU HB3 1 124 GLU QG . . 5.340 5.153 4.669 5.360 0.020 7 0 "[ . 1 . 2]" 1 286 1 70 LEU MD1 1 122 GLN HB2 . . 4.190 3.264 3.169 3.390 . 0 0 "[ . 1 . 2]" 1 287 1 70 LEU MD1 1 122 GLN HB3 . . 4.250 2.013 1.943 2.157 . 0 0 "[ . 1 . 2]" 1 288 1 70 LEU MD1 1 122 GLN QG . . 4.500 2.433 2.123 2.837 . 0 0 "[ . 1 . 2]" 1 289 1 70 LEU MD1 1 124 GLU HA . . 4.930 4.501 4.088 4.784 . 0 0 "[ . 1 . 2]" 1 290 1 70 LEU MD1 1 124 GLU QB . . 4.560 3.181 2.474 3.709 . 0 0 "[ . 1 . 2]" 1 291 1 70 LEU MD1 1 124 GLU HG2 . . 4.900 3.095 2.645 3.829 . 0 0 "[ . 1 . 2]" 1 292 1 70 LEU MD1 1 124 GLU HG3 . . 4.900 2.814 1.985 4.107 . 0 0 "[ . 1 . 2]" 1 293 1 70 LEU MD2 1 71 VAL H . . 5.500 4.085 4.018 4.150 . 0 0 "[ . 1 . 2]" 1 294 1 70 LEU MD2 1 96 ILE HB . . 4.270 3.844 3.767 3.914 . 0 0 "[ . 1 . 2]" 1 295 1 70 LEU MD2 1 98 LEU HA . . 3.470 2.097 1.952 2.255 . 0 0 "[ . 1 . 2]" 1 296 1 70 LEU MD2 1 98 LEU QB . . 3.240 1.917 1.844 2.068 . 0 0 "[ . 1 . 2]" 1 297 1 70 LEU MD2 1 122 GLN H . . 5.500 4.689 4.628 4.790 . 0 0 "[ . 1 . 2]" 1 298 1 70 LEU MD2 1 122 GLN HB3 . . 4.280 4.095 4.012 4.212 . 0 0 "[ . 1 . 2]" 1 299 1 70 LEU MD2 1 124 GLU HA . . 5.070 4.624 4.323 4.887 . 0 0 "[ . 1 . 2]" 1 300 1 70 LEU MD2 1 124 GLU HB2 . . 4.230 2.271 2.009 2.512 . 0 0 "[ . 1 . 2]" 1 301 1 70 LEU MD2 1 124 GLU QB . . 3.550 2.218 1.925 2.464 . 0 0 "[ . 1 . 2]" 1 302 1 70 LEU MD2 1 124 GLU HB3 . . 4.230 3.179 2.315 3.596 . 0 0 "[ . 1 . 2]" 1 303 1 70 LEU MD2 1 124 GLU QG . . 3.550 2.526 2.131 2.778 . 0 0 "[ . 1 . 2]" 1 304 1 70 LEU HG 1 121 VAL HB . . 5.500 5.504 5.488 5.518 0.018 10 0 "[ . 1 . 2]" 1 305 1 70 LEU HG 1 122 GLN H . . 3.850 3.608 3.528 3.702 . 0 0 "[ . 1 . 2]" 1 306 1 70 LEU HG 1 122 GLN HB2 . . 4.530 4.449 4.326 4.537 0.007 9 0 "[ . 1 . 2]" 1 307 1 70 LEU HG 1 122 GLN QG . . 4.610 3.218 2.855 3.499 . 0 0 "[ . 1 . 2]" 1 308 1 70 LEU HG 1 123 ILE HA . . 4.500 4.251 3.953 4.409 . 0 0 "[ . 1 . 2]" 1 309 1 70 LEU HG 1 124 GLU H . . 3.650 3.382 3.044 3.651 0.001 3 0 "[ . 1 . 2]" 1 310 1 70 LEU HG 1 124 GLU QG . . 4.750 3.129 2.169 3.751 . 0 0 "[ . 1 . 2]" 1 311 1 71 VAL H 1 71 VAL HB . . 3.290 2.890 2.826 3.011 . 0 0 "[ . 1 . 2]" 1 312 1 71 VAL H 1 71 VAL QG . . 2.760 1.923 1.909 1.955 . 0 0 "[ . 1 . 2]" 1 313 1 71 VAL H 1 96 ILE HA . . 4.630 4.390 4.186 4.568 . 0 0 "[ . 1 . 2]" 1 314 1 71 VAL H 1 96 ILE HB . . 4.540 3.904 3.444 4.400 . 0 0 "[ . 1 . 2]" 1 315 1 71 VAL H 1 96 ILE MG . . 5.500 4.557 4.269 4.717 . 0 0 "[ . 1 . 2]" 1 316 1 71 VAL H 1 97 ALA H . . 3.600 3.164 2.860 3.501 . 0 0 "[ . 1 . 2]" 1 317 1 71 VAL H 1 97 ALA HA . . 5.140 4.682 4.523 4.795 . 0 0 "[ . 1 . 2]" 1 318 1 71 VAL H 1 98 LEU H . . 4.930 4.877 4.719 4.941 0.011 10 0 "[ . 1 . 2]" 1 319 1 71 VAL H 1 98 LEU HA . . 3.860 3.697 3.564 3.864 0.004 13 0 "[ . 1 . 2]" 1 320 1 71 VAL H 1 99 LEU MD2 . . 4.000 3.948 3.833 4.008 0.008 2 0 "[ . 1 . 2]" 1 321 1 71 VAL H 1 99 LEU HG . . 4.210 3.328 3.109 3.560 . 0 0 "[ . 1 . 2]" 1 322 1 71 VAL H 1 114 LEU QD . . 5.440 5.067 4.834 5.347 . 0 0 "[ . 1 . 2]" 1 323 1 71 VAL H 1 122 GLN H . . 5.180 5.059 4.966 5.129 . 0 0 "[ . 1 . 2]" 1 324 1 71 VAL HA 1 72 GLU H . . 2.420 2.155 2.144 2.170 . 0 0 "[ . 1 . 2]" 1 325 1 71 VAL HA 1 121 VAL HA . . 3.790 3.339 3.199 3.475 . 0 0 "[ . 1 . 2]" 1 326 1 71 VAL HA 1 121 VAL HB . . 4.000 2.994 2.866 3.171 . 0 0 "[ . 1 . 2]" 1 327 1 71 VAL HB 1 73 ALA MB . . 5.030 4.860 4.572 4.986 . 0 0 "[ . 1 . 2]" 1 328 1 71 VAL HB 1 97 ALA MB . . 4.660 4.589 4.493 4.661 0.001 17 0 "[ . 1 . 2]" 1 329 1 71 VAL HB 1 114 LEU MD1 . . 5.140 3.058 2.857 3.300 . 0 0 "[ . 1 . 2]" 1 330 1 71 VAL HB 1 114 LEU QD . . 4.520 3.011 2.812 3.258 . 0 0 "[ . 1 . 2]" 1 331 1 71 VAL HB 1 114 LEU MD2 . . 5.140 4.528 4.072 5.028 . 0 0 "[ . 1 . 2]" 1 332 1 71 VAL QG 1 72 GLU H . . 2.810 2.401 2.202 2.566 . 0 0 "[ . 1 . 2]" 1 333 1 71 VAL QG 1 72 GLU QB . . 4.530 3.669 3.583 3.735 . 0 0 "[ . 1 . 2]" 1 334 1 71 VAL QG 1 73 ALA H . . 4.240 3.203 2.782 3.460 . 0 0 "[ . 1 . 2]" 1 335 1 71 VAL QG 1 78 ALA H . . 4.940 4.373 4.178 4.733 . 0 0 "[ . 1 . 2]" 1 336 1 71 VAL QG 1 78 ALA HA . . 3.820 3.004 2.747 3.180 . 0 0 "[ . 1 . 2]" 1 337 1 71 VAL QG 1 78 ALA MB . . 4.090 3.332 3.099 3.513 . 0 0 "[ . 1 . 2]" 1 338 1 71 VAL QG 1 81 LEU HB2 . . 4.750 3.602 3.433 3.750 . 0 0 "[ . 1 . 2]" 1 339 1 71 VAL QG 1 81 LEU HB3 . . 4.290 4.078 3.972 4.260 . 0 0 "[ . 1 . 2]" 1 340 1 71 VAL QG 1 81 LEU HG . . 4.380 3.653 3.465 3.760 . 0 0 "[ . 1 . 2]" 1 341 1 71 VAL QG 1 89 PHE QB . . 5.280 4.957 4.669 5.281 0.001 8 0 "[ . 1 . 2]" 1 342 1 71 VAL QG 1 96 ILE HB . . 5.440 4.601 4.295 5.036 . 0 0 "[ . 1 . 2]" 1 343 1 71 VAL QG 1 97 ALA H . . 3.300 2.745 2.522 3.040 . 0 0 "[ . 1 . 2]" 1 344 1 71 VAL QG 1 97 ALA MB . . 2.990 2.051 1.914 2.176 . 0 0 "[ . 1 . 2]" 1 345 1 71 VAL QG 1 114 LEU QD . . 3.370 2.283 1.978 2.468 . 0 0 "[ . 1 . 2]" 1 346 1 71 VAL QG 1 114 LEU HG . . 5.020 4.763 4.528 5.006 . 0 0 "[ . 1 . 2]" 1 347 1 71 VAL QG 1 121 VAL HA . . 5.000 4.597 4.448 4.698 . 0 0 "[ . 1 . 2]" 1 348 1 71 VAL MG1 1 73 ALA H . . 5.360 3.488 2.927 3.881 . 0 0 "[ . 1 . 2]" 1 349 1 71 VAL MG1 1 73 ALA MB . . 3.210 2.875 2.611 3.081 . 0 0 "[ . 1 . 2]" 1 350 1 71 VAL MG1 1 78 ALA HA . . 4.940 3.055 2.791 3.233 . 0 0 "[ . 1 . 2]" 1 351 1 71 VAL MG1 1 81 LEU HB3 . . 5.050 4.508 4.297 4.842 . 0 0 "[ . 1 . 2]" 1 352 1 71 VAL MG1 1 97 ALA MB . . 4.460 2.057 1.918 2.183 . 0 0 "[ . 1 . 2]" 1 353 1 71 VAL MG2 1 73 ALA H . . 5.360 3.754 3.479 3.906 . 0 0 "[ . 1 . 2]" 1 354 1 71 VAL MG2 1 73 ALA MB . . 3.210 2.397 2.028 2.562 . 0 0 "[ . 1 . 2]" 1 355 1 71 VAL MG2 1 78 ALA HA . . 4.940 4.443 4.092 4.787 . 0 0 "[ . 1 . 2]" 1 356 1 71 VAL MG2 1 81 LEU HB3 . . 5.050 4.660 4.576 4.770 . 0 0 "[ . 1 . 2]" 1 357 1 71 VAL MG2 1 97 ALA MB . . 4.460 4.108 3.920 4.271 . 0 0 "[ . 1 . 2]" 1 358 1 72 GLU H 1 72 GLU QB . . 2.750 2.266 2.250 2.284 . 0 0 "[ . 1 . 2]" 1 359 1 72 GLU H 1 73 ALA MB . . 4.440 4.261 4.177 4.336 . 0 0 "[ . 1 . 2]" 1 360 1 72 GLU H 1 97 ALA H . . 4.890 4.750 4.587 4.878 . 0 0 "[ . 1 . 2]" 1 361 1 72 GLU H 1 121 VAL HA . . 3.520 3.491 3.356 3.533 0.013 18 0 "[ . 1 . 2]" 1 362 1 72 GLU H 1 121 VAL MG1 . . 3.040 2.120 1.933 2.313 . 0 0 "[ . 1 . 2]" 1 363 1 72 GLU HA 1 73 ALA H . . 2.440 2.276 2.214 2.396 . 0 0 "[ . 1 . 2]" 1 364 1 72 GLU HA 1 96 ILE H . . 4.740 4.669 4.565 4.757 0.017 19 0 "[ . 1 . 2]" 1 365 1 72 GLU HA 1 96 ILE QG . . 5.340 4.905 4.711 5.296 . 0 0 "[ . 1 . 2]" 1 366 1 72 GLU HA 1 96 ILE MG . . 4.440 2.382 2.074 2.894 . 0 0 "[ . 1 . 2]" 1 367 1 72 GLU HA 1 97 ALA H . . 3.730 3.488 3.265 3.679 . 0 0 "[ . 1 . 2]" 1 368 1 72 GLU QB 1 96 ILE MG . . 4.090 2.541 2.217 2.799 . 0 0 "[ . 1 . 2]" 1 369 1 72 GLU QB 1 120 ASN H . . 3.470 3.054 2.601 3.278 . 0 0 "[ . 1 . 2]" 1 370 1 72 GLU QB 1 120 ASN QB . . 3.510 3.065 2.758 3.354 . 0 0 "[ . 1 . 2]" 1 371 1 72 GLU QB 1 121 VAL H . . 5.280 4.950 4.854 5.148 . 0 0 "[ . 1 . 2]" 1 372 1 72 GLU HB2 1 96 ILE MG . . 4.720 2.572 2.236 2.841 . 0 0 "[ . 1 . 2]" 1 373 1 72 GLU HB2 1 120 ASN H . . 3.960 3.852 3.357 3.964 0.004 3 0 "[ . 1 . 2]" 1 374 1 72 GLU HB2 1 120 ASN HB2 . . 5.050 4.183 3.285 4.852 . 0 0 "[ . 1 . 2]" 1 375 1 72 GLU HB2 1 120 ASN HB3 . . 5.050 3.669 2.926 4.654 . 0 0 "[ . 1 . 2]" 1 376 1 72 GLU HB3 1 96 ILE MG . . 4.720 3.958 3.628 4.232 . 0 0 "[ . 1 . 2]" 1 377 1 72 GLU HB3 1 120 ASN H . . 3.960 3.209 2.709 3.506 . 0 0 "[ . 1 . 2]" 1 378 1 72 GLU HB3 1 120 ASN HB2 . . 5.050 4.448 3.479 5.055 0.005 12 0 "[ . 1 . 2]" 1 379 1 72 GLU HB3 1 120 ASN HB3 . . 5.050 4.402 3.571 5.054 0.004 9 0 "[ . 1 . 2]" 1 380 1 72 GLU QG 1 96 ILE H . . 5.340 5.257 5.122 5.345 0.005 13 0 "[ . 1 . 2]" 1 381 1 72 GLU QG 1 96 ILE MG . . 3.970 3.136 2.753 3.342 . 0 0 "[ . 1 . 2]" 1 382 1 72 GLU QG 1 120 ASN H . . 4.480 4.294 3.805 4.482 0.002 20 0 "[ . 1 . 2]" 1 383 1 72 GLU HG2 1 96 ILE MG . . 4.680 4.139 2.902 4.682 0.002 19 0 "[ . 1 . 2]" 1 384 1 72 GLU HG3 1 96 ILE MG . . 4.680 3.344 3.003 3.695 . 0 0 "[ . 1 . 2]" 1 385 1 73 ALA H 1 73 ALA MB . . 2.910 2.836 2.696 2.886 . 0 0 "[ . 1 . 2]" 1 386 1 73 ALA H 1 77 SER QB . . 5.070 4.946 4.826 5.084 0.014 18 0 "[ . 1 . 2]" 1 387 1 73 ALA H 1 95 GLY QA . . 5.260 4.855 4.537 5.105 . 0 0 "[ . 1 . 2]" 1 388 1 73 ALA H 1 96 ILE H . . 5.310 5.224 4.984 5.322 0.012 2 0 "[ . 1 . 2]" 1 389 1 73 ALA H 1 96 ILE HA . . 3.490 3.093 2.939 3.375 . 0 0 "[ . 1 . 2]" 1 390 1 73 ALA H 1 96 ILE MG . . 5.500 4.214 3.961 4.563 . 0 0 "[ . 1 . 2]" 1 391 1 73 ALA H 1 97 ALA H . . 3.140 3.059 2.697 3.170 0.030 12 0 "[ . 1 . 2]" 1 392 1 73 ALA HA 1 74 ASP H . . 2.550 2.488 2.401 2.530 . 0 0 "[ . 1 . 2]" 1 393 1 73 ALA MB 1 74 ASP H . . 2.470 2.327 2.166 2.486 0.016 20 0 "[ . 1 . 2]" 1 394 1 73 ALA MB 1 77 SER HA . . 4.600 4.259 4.072 4.405 . 0 0 "[ . 1 . 2]" 1 395 1 73 ALA MB 1 77 SER HB2 . . 3.860 2.134 1.922 2.514 . 0 0 "[ . 1 . 2]" 1 396 1 73 ALA MB 1 77 SER QB . . 3.230 1.878 1.795 1.981 . 0 0 "[ . 1 . 2]" 1 397 1 73 ALA MB 1 77 SER HB3 . . 3.860 2.210 1.901 2.597 . 0 0 "[ . 1 . 2]" 1 398 1 73 ALA MB 1 80 ALA MB . . 5.500 5.283 5.044 5.421 . 0 0 "[ . 1 . 2]" 1 399 1 73 ALA MB 1 114 LEU QD . . 5.190 4.737 4.543 5.042 . 0 0 "[ . 1 . 2]" 1 400 1 74 ASP H 1 74 ASP HB2 . . 3.360 2.225 2.117 3.554 0.194 20 0 "[ . 1 . 2]" 1 401 1 74 ASP H 1 74 ASP QB . . 2.590 2.130 2.094 2.266 . 0 0 "[ . 1 . 2]" 1 402 1 74 ASP H 1 74 ASP HB3 . . 3.360 3.181 2.292 3.350 . 0 0 "[ . 1 . 2]" 1 403 1 74 ASP H 1 76 ALA MB . . 4.870 4.842 4.753 4.892 0.022 17 0 "[ . 1 . 2]" 1 404 1 74 ASP H 1 77 SER H . . 3.870 3.726 3.458 3.817 . 0 0 "[ . 1 . 2]" 1 405 1 74 ASP H 1 77 SER QB . . 3.590 2.782 2.228 3.000 . 0 0 "[ . 1 . 2]" 1 406 1 74 ASP HA 1 75 ASP H . . 2.800 2.579 2.468 2.714 . 0 0 "[ . 1 . 2]" 1 407 1 74 ASP HA 1 75 ASP HA . . 4.440 4.305 4.295 4.322 . 0 0 "[ . 1 . 2]" 1 408 1 74 ASP HA 1 75 ASP QB . . 4.970 4.708 4.305 4.972 0.002 12 0 "[ . 1 . 2]" 1 409 1 74 ASP HA 1 77 SER QB . . 5.340 4.668 4.455 4.898 . 0 0 "[ . 1 . 2]" 1 410 1 74 ASP HA 1 78 ALA MB . . 5.340 4.876 4.474 5.147 . 0 0 "[ . 1 . 2]" 1 411 1 74 ASP QB 1 75 ASP H . . 2.590 2.363 2.162 2.570 . 0 0 "[ . 1 . 2]" 1 412 1 74 ASP QB 1 76 ALA H . . 3.300 2.557 2.427 3.331 0.031 20 0 "[ . 1 . 2]" 1 413 1 74 ASP QB 1 77 SER H . . 3.900 3.235 3.095 3.954 0.054 20 0 "[ . 1 . 2]" 1 414 1 74 ASP QB 1 78 ALA H . . 5.220 4.672 4.473 5.238 0.018 20 0 "[ . 1 . 2]" 1 415 1 74 ASP HB2 1 77 SER H . . 4.530 4.032 3.779 4.527 . 0 0 "[ . 1 . 2]" 1 416 1 74 ASP HB3 1 77 SER H . . 4.530 3.420 3.186 4.361 . 0 0 "[ . 1 . 2]" 1 417 1 75 ASP H 1 75 ASP HA . . 2.890 2.797 2.772 2.832 . 0 0 "[ . 1 . 2]" 1 418 1 75 ASP H 1 75 ASP QB . . 2.860 2.445 2.100 2.694 . 0 0 "[ . 1 . 2]" 1 419 1 75 ASP H 1 76 ALA H . . 2.810 2.732 2.623 2.840 0.030 17 0 "[ . 1 . 2]" 1 420 1 75 ASP H 1 78 ALA H . . 5.000 4.676 4.527 4.770 . 0 0 "[ . 1 . 2]" 1 421 1 75 ASP HA 1 76 ALA H . . 3.540 3.540 3.520 3.567 0.027 17 0 "[ . 1 . 2]" 1 422 1 75 ASP HA 1 76 ALA MB . . 5.090 5.014 4.991 5.037 . 0 0 "[ . 1 . 2]" 1 423 1 75 ASP HA 1 77 SER H . . 4.760 4.163 4.038 4.393 . 0 0 "[ . 1 . 2]" 1 424 1 75 ASP HA 1 78 ALA H . . 3.360 3.162 3.047 3.284 . 0 0 "[ . 1 . 2]" 1 425 1 75 ASP HA 1 78 ALA MB . . 3.360 2.318 2.137 2.481 . 0 0 "[ . 1 . 2]" 1 426 1 75 ASP HA 1 79 LYS H . . 4.620 3.964 3.761 4.190 . 0 0 "[ . 1 . 2]" 1 427 1 75 ASP QB 1 76 ALA H . . 2.960 2.587 2.488 3.023 0.063 17 0 "[ . 1 . 2]" 1 428 1 75 ASP QB 1 76 ALA HA . . 5.340 3.935 3.808 4.298 . 0 0 "[ . 1 . 2]" 1 429 1 75 ASP QB 1 76 ALA MB . . 5.250 3.927 3.826 4.279 . 0 0 "[ . 1 . 2]" 1 430 1 75 ASP QB 1 78 ALA H . . 5.120 4.662 4.452 4.826 . 0 0 "[ . 1 . 2]" 1 431 1 75 ASP QB 1 78 ALA MB . . 4.720 3.785 3.544 4.087 . 0 0 "[ . 1 . 2]" 1 432 1 75 ASP QB 1 79 LYS H . . 5.100 4.679 4.368 5.110 0.010 20 0 "[ . 1 . 2]" 1 433 1 75 ASP QB 1 79 LYS HG2 . . 4.720 4.276 3.945 4.722 0.002 7 0 "[ . 1 . 2]" 1 434 1 76 ALA H 1 76 ALA MB . . 2.400 2.203 2.109 2.236 . 0 0 "[ . 1 . 2]" 1 435 1 76 ALA H 1 77 SER H . . 2.870 2.780 2.712 2.856 . 0 0 "[ . 1 . 2]" 1 436 1 76 ALA H 1 78 ALA H . . 4.270 4.093 3.958 4.180 . 0 0 "[ . 1 . 2]" 1 437 1 76 ALA H 1 79 LYS HG3 . . 5.500 5.395 5.169 5.496 . 0 0 "[ . 1 . 2]" 1 438 1 76 ALA HA 1 78 ALA MB . . 5.300 4.987 4.879 5.123 . 0 0 "[ . 1 . 2]" 1 439 1 76 ALA HA 1 79 LYS QD . . 3.940 2.775 2.609 3.145 . 0 0 "[ . 1 . 2]" 1 440 1 76 ALA HA 1 79 LYS QE . . 5.340 4.157 3.787 4.731 . 0 0 "[ . 1 . 2]" 1 441 1 76 ALA HA 1 79 LYS HG2 . . 5.080 2.821 2.678 3.091 . 0 0 "[ . 1 . 2]" 1 442 1 76 ALA HA 1 79 LYS HG3 . . 4.820 3.234 3.044 3.383 . 0 0 "[ . 1 . 2]" 1 443 1 76 ALA HA 1 80 ALA MB . . 4.820 4.766 4.615 4.829 0.009 12 0 "[ . 1 . 2]" 1 444 1 76 ALA MB 1 77 SER H . . 2.670 2.626 2.513 2.671 0.001 1 0 "[ . 1 . 2]" 1 445 1 76 ALA MB 1 77 SER HA . . 4.540 3.860 3.804 3.907 . 0 0 "[ . 1 . 2]" 1 446 1 77 SER H 1 77 SER QB . . 2.840 2.265 2.142 2.365 . 0 0 "[ . 1 . 2]" 1 447 1 77 SER H 1 78 ALA H . . 2.460 2.417 2.322 2.460 0.000 20 0 "[ . 1 . 2]" 1 448 1 77 SER H 1 79 LYS HG3 . . 5.200 4.795 4.623 4.916 . 0 0 "[ . 1 . 2]" 1 449 1 77 SER H 1 80 ALA H . . 5.040 4.841 4.729 4.936 . 0 0 "[ . 1 . 2]" 1 450 1 77 SER HA 1 80 ALA H . . 5.040 3.475 3.371 3.601 . 0 0 "[ . 1 . 2]" 1 451 1 77 SER HA 1 80 ALA MB . . 3.110 2.365 2.268 2.445 . 0 0 "[ . 1 . 2]" 1 452 1 77 SER HA 1 81 LEU MD1 . . 5.300 5.118 4.979 5.303 0.003 20 0 "[ . 1 . 2]" 1 453 1 77 SER HA 1 81 LEU HG . . 4.810 4.286 4.144 4.507 . 0 0 "[ . 1 . 2]" 1 454 1 77 SER QB 1 78 ALA H . . 2.890 2.752 2.640 2.908 0.018 12 0 "[ . 1 . 2]" 1 455 1 77 SER QB 1 78 ALA MB . . 4.590 3.974 3.915 4.055 . 0 0 "[ . 1 . 2]" 1 456 1 77 SER QB 1 80 ALA MB . . 4.120 3.892 3.667 4.134 0.014 12 0 "[ . 1 . 2]" 1 457 1 77 SER QB 1 99 LEU MD1 . . 5.340 5.230 4.990 5.350 0.010 20 0 "[ . 1 . 2]" 1 458 1 77 SER HB2 1 80 ALA MB . . 4.830 4.740 4.547 4.832 0.002 16 0 "[ . 1 . 2]" 1 459 1 77 SER HB3 1 80 ALA MB . . 4.830 4.171 3.836 4.645 . 0 0 "[ . 1 . 2]" 1 460 1 78 ALA H 1 78 ALA HA . . 2.890 2.781 2.758 2.831 . 0 0 "[ . 1 . 2]" 1 461 1 78 ALA H 1 78 ALA MB . . 2.400 2.135 2.036 2.209 . 0 0 "[ . 1 . 2]" 1 462 1 78 ALA H 1 79 LYS H . . 3.060 2.978 2.845 3.035 . 0 0 "[ . 1 . 2]" 1 463 1 78 ALA H 1 79 LYS HG2 . . 4.800 4.445 4.264 4.840 0.040 12 0 "[ . 1 . 2]" 1 464 1 78 ALA H 1 79 LYS HG3 . . 5.300 4.292 3.868 4.445 . 0 0 "[ . 1 . 2]" 1 465 1 78 ALA H 1 80 ALA H . . 4.040 3.936 3.787 4.038 . 0 0 "[ . 1 . 2]" 1 466 1 78 ALA H 1 80 ALA MB . . 4.510 4.466 4.321 4.514 0.004 5 0 "[ . 1 . 2]" 1 467 1 78 ALA H 1 81 LEU HG . . 5.320 5.123 4.948 5.321 0.001 12 0 "[ . 1 . 2]" 1 468 1 78 ALA H 1 99 LEU MD2 . . 5.050 4.775 4.616 4.962 . 0 0 "[ . 1 . 2]" 1 469 1 78 ALA HA 1 81 LEU HB2 . . 3.960 3.220 3.067 3.379 . 0 0 "[ . 1 . 2]" 1 470 1 78 ALA HA 1 81 LEU HG . . 4.390 3.737 3.504 4.049 . 0 0 "[ . 1 . 2]" 1 471 1 78 ALA HA 1 89 PHE QB . . 5.320 3.799 3.602 4.067 . 0 0 "[ . 1 . 2]" 1 472 1 78 ALA HA 1 99 LEU MD1 . . 3.580 2.495 2.290 2.741 . 0 0 "[ . 1 . 2]" 1 473 1 78 ALA HA 1 99 LEU MD2 . . 3.950 3.005 2.894 3.120 . 0 0 "[ . 1 . 2]" 1 474 1 78 ALA MB 1 79 LYS H . . 2.660 2.101 2.074 2.202 . 0 0 "[ . 1 . 2]" 1 475 1 78 ALA MB 1 79 LYS HB2 . . 5.200 5.043 5.000 5.071 . 0 0 "[ . 1 . 2]" 1 476 1 78 ALA MB 1 79 LYS HG2 . . 4.240 3.866 3.756 4.247 0.007 12 0 "[ . 1 . 2]" 1 477 1 78 ALA MB 1 80 ALA MB . . 5.120 4.998 4.938 5.036 . 0 0 "[ . 1 . 2]" 1 478 1 78 ALA MB 1 89 PHE HB2 . . 5.150 2.120 1.941 2.557 . 0 0 "[ . 1 . 2]" 1 479 1 78 ALA MB 1 89 PHE QB . . 4.390 2.089 1.913 2.508 . 0 0 "[ . 1 . 2]" 1 480 1 78 ALA MB 1 89 PHE HB3 . . 5.150 3.171 2.885 3.629 . 0 0 "[ . 1 . 2]" 1 481 1 78 ALA MB 1 99 LEU MD1 . . 4.400 3.022 2.792 3.283 . 0 0 "[ . 1 . 2]" 1 482 1 78 ALA MB 1 99 LEU MD2 . . 3.600 2.044 1.884 2.298 . 0 0 "[ . 1 . 2]" 1 483 1 79 LYS H 1 79 LYS HA . . 2.880 2.771 2.760 2.795 . 0 0 "[ . 1 . 2]" 1 484 1 79 LYS H 1 79 LYS HB3 . . 2.840 2.699 2.695 2.705 . 0 0 "[ . 1 . 2]" 1 485 1 79 LYS H 1 79 LYS QD . . 5.230 4.007 3.864 4.049 . 0 0 "[ . 1 . 2]" 1 486 1 79 LYS H 1 79 LYS QE . . 4.510 4.328 4.166 4.490 . 0 0 "[ . 1 . 2]" 1 487 1 79 LYS H 1 79 LYS HG2 . . 2.800 2.351 2.245 2.780 . 0 0 "[ . 1 . 2]" 1 488 1 79 LYS H 1 79 LYS HG3 . . 3.100 2.433 2.044 2.546 . 0 0 "[ . 1 . 2]" 1 489 1 79 LYS H 1 80 ALA H . . 2.820 2.743 2.664 2.778 . 0 0 "[ . 1 . 2]" 1 490 1 79 LYS H 1 89 PHE QB . . 4.500 3.431 3.334 3.602 . 0 0 "[ . 1 . 2]" 1 491 1 79 LYS HA 1 79 LYS QD . . 4.650 4.439 4.167 4.502 . 0 0 "[ . 1 . 2]" 1 492 1 79 LYS HA 1 79 LYS QE . . 4.850 4.211 3.984 4.710 . 0 0 "[ . 1 . 2]" 1 493 1 79 LYS HA 1 79 LYS HG2 . . 4.070 3.888 3.850 4.056 . 0 0 "[ . 1 . 2]" 1 494 1 79 LYS HA 1 79 LYS HG3 . . 3.940 3.608 3.547 3.634 . 0 0 "[ . 1 . 2]" 1 495 1 79 LYS HA 1 80 ALA MB . . 5.200 4.995 4.978 5.010 . 0 0 "[ . 1 . 2]" 1 496 1 79 LYS HA 1 82 ALA MB . . 3.370 2.217 2.020 2.435 . 0 0 "[ . 1 . 2]" 1 497 1 79 LYS HA 1 83 THR HB . . 5.500 5.499 5.475 5.514 0.014 20 0 "[ . 1 . 2]" 1 498 1 79 LYS HA 1 89 PHE H . . 4.790 3.936 3.869 4.021 . 0 0 "[ . 1 . 2]" 1 499 1 79 LYS HA 1 89 PHE HB2 . . 4.580 3.410 2.915 3.849 . 0 0 "[ . 1 . 2]" 1 500 1 79 LYS HA 1 89 PHE QB . . 4.000 3.075 2.744 3.353 . 0 0 "[ . 1 . 2]" 1 501 1 79 LYS HA 1 89 PHE HB3 . . 4.580 3.510 3.136 3.708 . 0 0 "[ . 1 . 2]" 1 502 1 79 LYS HB2 1 79 LYS QD . . 3.020 2.363 2.197 2.473 . 0 0 "[ . 1 . 2]" 1 503 1 79 LYS HB2 1 80 ALA H . . 4.890 3.694 3.518 3.829 . 0 0 "[ . 1 . 2]" 1 504 1 79 LYS HB2 1 80 ALA HA . . 4.590 4.341 4.284 4.417 . 0 0 "[ . 1 . 2]" 1 505 1 79 LYS HB2 1 83 THR HB . . 5.420 5.241 5.096 5.331 . 0 0 "[ . 1 . 2]" 1 506 1 79 LYS HB3 1 80 ALA H . . 5.020 4.121 3.996 4.186 . 0 0 "[ . 1 . 2]" 1 507 1 79 LYS HB3 1 82 ALA MB . . 4.950 4.249 4.090 4.460 . 0 0 "[ . 1 . 2]" 1 508 1 79 LYS QE 1 80 ALA HA . . 4.590 3.059 2.661 4.539 . 0 0 "[ . 1 . 2]" 1 509 1 79 LYS QE 1 83 THR HB . . 5.340 4.689 4.278 5.345 0.005 12 0 "[ . 1 . 2]" 1 510 1 79 LYS HE2 1 80 ALA H . . 4.850 3.626 2.834 4.865 0.015 12 0 "[ . 1 . 2]" 1 511 1 79 LYS HE3 1 80 ALA H . . 4.850 3.965 3.126 4.878 0.028 12 0 "[ . 1 . 2]" 1 512 1 79 LYS HG2 1 80 ALA H . . 3.840 3.565 3.465 3.737 . 0 0 "[ . 1 . 2]" 1 513 1 79 LYS HG3 1 80 ALA H . . 3.710 2.033 1.919 2.175 . 0 0 "[ . 1 . 2]" 1 514 1 79 LYS HG3 1 89 PHE QB . . 5.340 5.335 5.266 5.349 0.009 7 0 "[ . 1 . 2]" 1 515 1 80 ALA H 1 80 ALA HA . . 2.890 2.819 2.765 2.839 . 0 0 "[ . 1 . 2]" 1 516 1 80 ALA H 1 80 ALA MB . . 2.400 2.149 2.028 2.243 . 0 0 "[ . 1 . 2]" 1 517 1 80 ALA H 1 81 LEU H . . 3.110 2.633 2.553 2.826 . 0 0 "[ . 1 . 2]" 1 518 1 80 ALA H 1 82 ALA H . . 4.070 3.966 3.896 4.070 0.000 8 0 "[ . 1 . 2]" 1 519 1 80 ALA H 1 83 THR H . . 5.010 4.844 4.813 4.868 . 0 0 "[ . 1 . 2]" 1 520 1 80 ALA HA 1 81 LEU HA . . 4.960 4.681 4.669 4.700 . 0 0 "[ . 1 . 2]" 1 521 1 80 ALA HA 1 81 LEU MD2 . . 5.140 5.003 4.939 5.073 . 0 0 "[ . 1 . 2]" 1 522 1 80 ALA HA 1 82 ALA MB . . 5.230 5.140 5.060 5.199 . 0 0 "[ . 1 . 2]" 1 523 1 80 ALA HA 1 83 THR MG . . 4.850 4.664 4.488 4.710 . 0 0 "[ . 1 . 2]" 1 524 1 80 ALA HA 1 84 ARG QB . . 5.240 5.027 4.906 5.121 . 0 0 "[ . 1 . 2]" 1 525 1 80 ALA MB 1 81 LEU H . . 2.730 2.691 2.556 2.734 0.004 14 0 "[ . 1 . 2]" 1 526 1 80 ALA MB 1 81 LEU HA . . 4.480 3.844 3.763 3.912 . 0 0 "[ . 1 . 2]" 1 527 1 80 ALA MB 1 81 LEU HB2 . . 4.840 4.510 4.436 4.563 . 0 0 "[ . 1 . 2]" 1 528 1 80 ALA MB 1 81 LEU HG . . 4.540 3.257 3.135 3.376 . 0 0 "[ . 1 . 2]" 1 529 1 80 ALA MB 1 83 THR HB . . 4.930 4.746 4.583 4.784 . 0 0 "[ . 1 . 2]" 1 530 1 80 ALA MB 1 83 THR MG . . 5.500 5.471 5.301 5.507 0.007 6 0 "[ . 1 . 2]" 1 531 1 80 ALA MB 1 99 LEU MD1 . . 5.500 5.478 5.348 5.524 0.024 12 0 "[ . 1 . 2]" 1 532 1 81 LEU H 1 81 LEU HA . . 2.930 2.888 2.871 2.896 . 0 0 "[ . 1 . 2]" 1 533 1 81 LEU H 1 81 LEU HB2 . . 2.570 2.423 2.400 2.446 . 0 0 "[ . 1 . 2]" 1 534 1 81 LEU H 1 81 LEU MD2 . . 3.360 3.349 3.298 3.363 0.003 20 0 "[ . 1 . 2]" 1 535 1 81 LEU H 1 81 LEU HG . . 2.660 2.540 2.473 2.593 . 0 0 "[ . 1 . 2]" 1 536 1 81 LEU H 1 82 ALA H . . 2.610 2.366 2.331 2.432 . 0 0 "[ . 1 . 2]" 1 537 1 81 LEU H 1 83 THR H . . 4.200 3.931 3.849 4.029 . 0 0 "[ . 1 . 2]" 1 538 1 81 LEU H 1 85 HIS H . . 5.500 5.508 5.487 5.518 0.018 17 0 "[ . 1 . 2]" 1 539 1 81 LEU HA 1 81 LEU MD1 . . 4.220 3.815 3.809 3.827 . 0 0 "[ . 1 . 2]" 1 540 1 81 LEU HA 1 81 LEU MD2 . . 3.260 2.048 1.960 2.120 . 0 0 "[ . 1 . 2]" 1 541 1 81 LEU HA 1 81 LEU HG . . 4.190 3.204 3.181 3.227 . 0 0 "[ . 1 . 2]" 1 542 1 81 LEU HA 1 82 ALA HA . . 4.990 4.786 4.780 4.791 . 0 0 "[ . 1 . 2]" 1 543 1 81 LEU HA 1 84 ARG H . . 5.500 3.257 3.237 3.320 . 0 0 "[ . 1 . 2]" 1 544 1 81 LEU HA 1 84 ARG HB2 . . 4.340 2.501 2.424 2.575 . 0 0 "[ . 1 . 2]" 1 545 1 81 LEU HA 1 84 ARG QB . . 3.790 2.482 2.406 2.553 . 0 0 "[ . 1 . 2]" 1 546 1 81 LEU HA 1 84 ARG HB3 . . 4.340 4.162 4.070 4.228 . 0 0 "[ . 1 . 2]" 1 547 1 81 LEU HA 1 84 ARG QD . . 4.620 3.127 2.932 3.405 . 0 0 "[ . 1 . 2]" 1 548 1 81 LEU HA 1 84 ARG QG . . 5.260 3.936 3.876 4.049 . 0 0 "[ . 1 . 2]" 1 549 1 81 LEU HA 1 85 HIS H . . 3.220 3.063 3.020 3.078 . 0 0 "[ . 1 . 2]" 1 550 1 81 LEU HB2 1 82 ALA H . . 2.840 2.786 2.663 2.827 . 0 0 "[ . 1 . 2]" 1 551 1 81 LEU HB2 1 87 LEU HG . . 4.880 4.583 4.477 4.706 . 0 0 "[ . 1 . 2]" 1 552 1 81 LEU HB2 1 99 LEU MD1 . . 3.800 2.385 2.246 2.573 . 0 0 "[ . 1 . 2]" 1 553 1 81 LEU HB2 1 114 LEU QD . . 5.280 4.864 4.462 5.165 . 0 0 "[ . 1 . 2]" 1 554 1 81 LEU HB3 1 81 LEU MD2 . . 3.550 2.387 2.348 2.431 . 0 0 "[ . 1 . 2]" 1 555 1 81 LEU HB3 1 87 LEU MD1 . . 4.410 2.667 2.531 2.780 . 0 0 "[ . 1 . 2]" 1 556 1 81 LEU HB3 1 87 LEU MD2 . . 5.080 4.851 4.737 4.933 . 0 0 "[ . 1 . 2]" 1 557 1 81 LEU HB3 1 110 ILE MD . . 5.450 5.304 5.175 5.461 0.011 4 0 "[ . 1 . 2]" 1 558 1 81 LEU HB3 1 114 LEU QD . . 4.620 4.082 3.603 4.374 . 0 0 "[ . 1 . 2]" 1 559 1 81 LEU MD1 1 110 ILE MG . . 4.040 3.954 3.821 4.044 0.004 20 0 "[ . 1 . 2]" 1 560 1 81 LEU MD1 1 114 LEU MD1 . . 4.050 2.798 2.264 3.084 . 0 0 "[ . 1 . 2]" 1 561 1 81 LEU MD1 1 114 LEU QD . . 3.240 2.321 2.009 2.590 . 0 0 "[ . 1 . 2]" 1 562 1 81 LEU MD1 1 114 LEU MD2 . . 4.050 2.504 2.141 2.915 . 0 0 "[ . 1 . 2]" 1 563 1 81 LEU MD2 1 84 ARG QD . . 4.740 2.866 2.723 3.116 . 0 0 "[ . 1 . 2]" 1 564 1 81 LEU MD2 1 85 HIS H . . 4.320 4.088 3.981 4.202 . 0 0 "[ . 1 . 2]" 1 565 1 81 LEU MD2 1 114 LEU QD . . 3.430 2.759 2.408 2.972 . 0 0 "[ . 1 . 2]" 1 566 1 81 LEU HG 1 114 LEU QD . . 4.790 4.434 4.074 4.633 . 0 0 "[ . 1 . 2]" 1 567 1 82 ALA H 1 82 ALA MB . . 2.400 2.069 2.035 2.118 . 0 0 "[ . 1 . 2]" 1 568 1 82 ALA H 1 83 THR H . . 2.660 2.580 2.564 2.599 . 0 0 "[ . 1 . 2]" 1 569 1 82 ALA H 1 84 ARG H . . 4.440 4.048 3.996 4.148 . 0 0 "[ . 1 . 2]" 1 570 1 82 ALA H 1 85 HIS H . . 4.910 4.830 4.801 4.865 . 0 0 "[ . 1 . 2]" 1 571 1 82 ALA H 1 88 ASN HA . . 5.500 5.478 5.398 5.522 0.022 8 0 "[ . 1 . 2]" 1 572 1 82 ALA H 1 89 PHE H . . 4.980 4.922 4.724 4.988 0.008 12 0 "[ . 1 . 2]" 1 573 1 82 ALA H 1 89 PHE QB . . 4.640 4.419 4.081 4.644 0.004 12 0 "[ . 1 . 2]" 1 574 1 82 ALA H 1 99 LEU MD1 . . 3.480 3.403 3.263 3.485 0.005 19 0 "[ . 1 . 2]" 1 575 1 82 ALA HA 1 83 THR HA . . 4.690 4.671 4.667 4.672 . 0 0 "[ . 1 . 2]" 1 576 1 82 ALA HA 1 85 HIS QB . . 4.250 3.828 3.801 3.877 . 0 0 "[ . 1 . 2]" 1 577 1 82 ALA HA 1 87 LEU H . . 3.010 2.005 1.955 2.050 . 0 0 "[ . 1 . 2]" 1 578 1 82 ALA HA 1 87 LEU HA . . 4.460 3.733 3.715 3.765 . 0 0 "[ . 1 . 2]" 1 579 1 82 ALA HA 1 87 LEU QB . . 3.440 1.990 1.982 2.022 . 0 0 "[ . 1 . 2]" 1 580 1 82 ALA HA 1 87 LEU MD1 . . 3.850 3.519 3.400 3.620 . 0 0 "[ . 1 . 2]" 1 581 1 82 ALA HA 1 87 LEU MD2 . . 4.520 3.887 3.828 3.945 . 0 0 "[ . 1 . 2]" 1 582 1 82 ALA HA 1 87 LEU HG . . 4.460 2.693 2.598 2.752 . 0 0 "[ . 1 . 2]" 1 583 1 82 ALA HA 1 88 ASN H . . 3.950 3.918 3.886 3.957 0.007 14 0 "[ . 1 . 2]" 1 584 1 82 ALA HA 1 99 LEU MD1 . . 4.680 3.533 3.355 3.631 . 0 0 "[ . 1 . 2]" 1 585 1 82 ALA HA 1 99 LEU MD2 . . 5.260 5.129 5.009 5.272 0.012 12 0 "[ . 1 . 2]" 1 586 1 82 ALA MB 1 83 THR H . . 2.950 2.860 2.818 2.887 . 0 0 "[ . 1 . 2]" 1 587 1 82 ALA MB 1 83 THR HA . . 4.310 3.854 3.824 3.889 . 0 0 "[ . 1 . 2]" 1 588 1 82 ALA MB 1 83 THR HB . . 4.810 4.673 4.628 4.707 . 0 0 "[ . 1 . 2]" 1 589 1 82 ALA MB 1 87 LEU HA . . 4.880 4.156 4.106 4.220 . 0 0 "[ . 1 . 2]" 1 590 1 82 ALA MB 1 87 LEU QB . . 3.010 2.543 2.470 2.585 . 0 0 "[ . 1 . 2]" 1 591 1 82 ALA MB 1 87 LEU MD1 . . 4.400 4.079 3.985 4.154 . 0 0 "[ . 1 . 2]" 1 592 1 82 ALA MB 1 88 ASN HA . . 3.910 2.250 2.141 2.304 . 0 0 "[ . 1 . 2]" 1 593 1 82 ALA MB 1 89 PHE H . . 3.570 2.316 2.143 2.371 . 0 0 "[ . 1 . 2]" 1 594 1 82 ALA MB 1 89 PHE HA . . 4.510 3.957 3.625 4.179 . 0 0 "[ . 1 . 2]" 1 595 1 82 ALA MB 1 89 PHE HB2 . . 4.360 3.230 2.931 3.450 . 0 0 "[ . 1 . 2]" 1 596 1 82 ALA MB 1 89 PHE QB . . 3.650 3.010 2.774 3.173 . 0 0 "[ . 1 . 2]" 1 597 1 82 ALA MB 1 89 PHE HB3 . . 4.360 3.598 3.333 3.752 . 0 0 "[ . 1 . 2]" 1 598 1 82 ALA MB 1 99 LEU HB2 . . 5.380 4.658 4.396 4.822 . 0 0 "[ . 1 . 2]" 1 599 1 82 ALA MB 1 99 LEU HB3 . . 3.980 3.361 3.212 3.459 . 0 0 "[ . 1 . 2]" 1 600 1 82 ALA MB 1 99 LEU MD1 . . 3.550 3.178 3.051 3.283 . 0 0 "[ . 1 . 2]" 1 601 1 82 ALA MB 1 99 LEU MD2 . . 3.750 3.610 3.493 3.741 . 0 0 "[ . 1 . 2]" 1 602 1 83 THR H 1 83 THR HB . . 2.550 2.480 2.462 2.489 . 0 0 "[ . 1 . 2]" 1 603 1 83 THR H 1 84 ARG H . . 2.650 2.337 2.325 2.360 . 0 0 "[ . 1 . 2]" 1 604 1 83 THR H 1 85 HIS H . . 4.290 4.277 4.247 4.295 0.005 12 0 "[ . 1 . 2]" 1 605 1 83 THR H 1 86 GLY H . . 4.250 4.137 4.095 4.166 . 0 0 "[ . 1 . 2]" 1 606 1 83 THR H 1 87 LEU H . . 4.830 4.609 4.567 4.645 . 0 0 "[ . 1 . 2]" 1 607 1 83 THR HA 1 83 THR MG . . 3.140 2.357 2.320 2.395 . 0 0 "[ . 1 . 2]" 1 608 1 83 THR HA 1 86 GLY QA . . 3.670 3.561 3.533 3.618 . 0 0 "[ . 1 . 2]" 1 609 1 83 THR HB 1 84 ARG H . . 2.820 2.753 2.655 2.811 . 0 0 "[ . 1 . 2]" 1 610 1 83 THR HB 1 84 ARG QG . . 5.030 3.304 3.236 3.375 . 0 0 "[ . 1 . 2]" 1 611 1 83 THR MG 1 84 ARG H . . 3.540 3.540 3.489 3.551 0.011 20 0 "[ . 1 . 2]" 1 612 1 83 THR MG 1 84 ARG HA . . 4.250 3.512 3.464 3.601 . 0 0 "[ . 1 . 2]" 1 613 1 83 THR MG 1 85 HIS H . . 5.500 5.486 5.459 5.502 0.002 18 0 "[ . 1 . 2]" 1 614 1 84 ARG H 1 84 ARG QB . . 2.570 2.329 2.294 2.361 . 0 0 "[ . 1 . 2]" 1 615 1 84 ARG H 1 84 ARG QD . . 3.870 3.742 3.568 3.859 . 0 0 "[ . 1 . 2]" 1 616 1 84 ARG H 1 84 ARG HG2 . . 3.820 3.798 3.762 3.822 0.002 1 0 "[ . 1 . 2]" 1 617 1 84 ARG H 1 84 ARG QG . . 2.950 2.510 2.449 2.581 . 0 0 "[ . 1 . 2]" 1 618 1 84 ARG H 1 84 ARG HG3 . . 3.820 2.547 2.478 2.626 . 0 0 "[ . 1 . 2]" 1 619 1 84 ARG H 1 85 HIS H . . 2.900 2.698 2.662 2.738 . 0 0 "[ . 1 . 2]" 1 620 1 84 ARG H 1 86 GLY H . . 3.740 3.444 3.404 3.498 . 0 0 "[ . 1 . 2]" 1 621 1 84 ARG H 1 87 LEU H . . 5.180 4.853 4.796 4.938 . 0 0 "[ . 1 . 2]" 1 622 1 84 ARG HA 1 84 ARG QD . . 4.290 4.088 4.007 4.189 . 0 0 "[ . 1 . 2]" 1 623 1 84 ARG HA 1 84 ARG HG2 . . 4.140 2.574 2.497 2.688 . 0 0 "[ . 1 . 2]" 1 624 1 84 ARG HA 1 84 ARG QG . . 3.590 2.403 2.362 2.442 . 0 0 "[ . 1 . 2]" 1 625 1 84 ARG HA 1 84 ARG HG3 . . 4.140 2.885 2.804 2.926 . 0 0 "[ . 1 . 2]" 1 626 1 84 ARG QB 1 86 GLY H . . 4.540 4.140 4.129 4.149 . 0 0 "[ . 1 . 2]" 1 627 1 84 ARG HB2 1 85 HIS H . . 3.320 2.257 2.226 2.288 . 0 0 "[ . 1 . 2]" 1 628 1 84 ARG HB3 1 85 HIS H . . 3.320 3.124 3.071 3.166 . 0 0 "[ . 1 . 2]" 1 629 1 84 ARG QD 1 85 HIS H . . 4.500 4.310 4.138 4.413 . 0 0 "[ . 1 . 2]" 1 630 1 84 ARG QG 1 85 HIS H . . 4.430 4.052 4.027 4.079 . 0 0 "[ . 1 . 2]" 1 631 1 85 HIS H 1 85 HIS QB . . 2.760 2.302 2.291 2.319 . 0 0 "[ . 1 . 2]" 1 632 1 85 HIS H 1 87 LEU H . . 4.010 3.789 3.761 3.816 . 0 0 "[ . 1 . 2]" 1 633 1 85 HIS H 1 87 LEU MD2 . . 4.610 4.571 4.367 4.620 0.010 16 0 "[ . 1 . 2]" 1 634 1 85 HIS QB 1 86 GLY H . . 3.430 3.001 2.984 3.018 . 0 0 "[ . 1 . 2]" 1 635 1 85 HIS QB 1 87 LEU H . . 3.700 2.954 2.936 2.996 . 0 0 "[ . 1 . 2]" 1 636 1 85 HIS QB 1 110 ILE MD . . 3.900 2.024 1.939 2.398 . 0 0 "[ . 1 . 2]" 1 637 1 85 HIS QB 1 110 ILE MG . . 3.990 3.018 2.719 3.313 . 0 0 "[ . 1 . 2]" 1 638 1 85 HIS HB2 1 86 GLY H . . 4.100 3.121 3.100 3.143 . 0 0 "[ . 1 . 2]" 1 639 1 85 HIS HB2 1 87 LEU H . . 4.240 3.068 3.055 3.103 . 0 0 "[ . 1 . 2]" 1 640 1 85 HIS HB2 1 87 LEU MD1 . . 4.280 2.903 2.824 2.964 . 0 0 "[ . 1 . 2]" 1 641 1 85 HIS HB2 1 87 LEU MD2 . . 4.550 2.803 2.645 2.912 . 0 0 "[ . 1 . 2]" 1 642 1 85 HIS HB2 1 87 LEU HG . . 4.540 1.998 1.993 2.002 . 0 0 "[ . 1 . 2]" 1 643 1 85 HIS HB2 1 110 ILE MD . . 4.480 3.350 3.142 3.639 . 0 0 "[ . 1 . 2]" 1 644 1 85 HIS HB2 1 110 ILE MG . . 4.620 3.708 3.389 3.991 . 0 0 "[ . 1 . 2]" 1 645 1 85 HIS HB3 1 86 GLY H . . 4.100 3.893 3.872 3.907 . 0 0 "[ . 1 . 2]" 1 646 1 85 HIS HB3 1 87 LEU H . . 4.240 3.851 3.804 3.954 . 0 0 "[ . 1 . 2]" 1 647 1 85 HIS HB3 1 87 LEU MD1 . . 4.280 3.298 3.218 3.369 . 0 0 "[ . 1 . 2]" 1 648 1 85 HIS HB3 1 87 LEU MD2 . . 4.550 2.187 2.074 2.340 . 0 0 "[ . 1 . 2]" 1 649 1 85 HIS HB3 1 87 LEU HG . . 4.540 2.880 2.835 2.947 . 0 0 "[ . 1 . 2]" 1 650 1 85 HIS HB3 1 110 ILE MD . . 4.480 2.042 1.952 2.433 . 0 0 "[ . 1 . 2]" 1 651 1 85 HIS HB3 1 110 ILE MG . . 4.620 3.199 2.863 3.563 . 0 0 "[ . 1 . 2]" 1 652 1 86 GLY H 1 86 GLY QA . . 2.400 2.271 2.270 2.271 . 0 0 "[ . 1 . 2]" 1 653 1 86 GLY H 1 87 LEU H . . 2.620 2.238 2.231 2.244 . 0 0 "[ . 1 . 2]" 1 654 1 86 GLY H 1 87 LEU MD2 . . 3.950 3.883 3.686 3.957 0.007 8 0 "[ . 1 . 2]" 1 655 1 86 GLY H 1 87 LEU HG . . 3.740 3.478 3.415 3.514 . 0 0 "[ . 1 . 2]" 1 656 1 86 GLY QA 1 87 LEU H . . 2.990 2.876 2.862 2.884 . 0 0 "[ . 1 . 2]" 1 657 1 87 LEU H 1 87 LEU QB . . 2.790 2.702 2.691 2.731 . 0 0 "[ . 1 . 2]" 1 658 1 87 LEU H 1 87 LEU MD1 . . 3.780 3.654 3.602 3.686 . 0 0 "[ . 1 . 2]" 1 659 1 87 LEU H 1 87 LEU MD2 . . 3.160 2.627 2.556 2.780 . 0 0 "[ . 1 . 2]" 1 660 1 87 LEU H 1 87 LEU HG . . 2.900 2.010 1.947 2.058 . 0 0 "[ . 1 . 2]" 1 661 1 87 LEU H 1 88 ASN HA . . 5.420 5.245 5.219 5.257 . 0 0 "[ . 1 . 2]" 1 662 1 87 LEU H 1 105 THR MG . . 5.500 5.501 5.435 5.529 0.029 3 0 "[ . 1 . 2]" 1 663 1 87 LEU HA 1 87 LEU MD2 . . 3.220 2.258 2.129 2.364 . 0 0 "[ . 1 . 2]" 1 664 1 87 LEU HA 1 88 ASN H . . 2.880 2.718 2.710 2.725 . 0 0 "[ . 1 . 2]" 1 665 1 87 LEU QB 1 87 LEU MD2 . . 3.210 2.350 2.308 2.372 . 0 0 "[ . 1 . 2]" 1 666 1 87 LEU QB 1 88 ASN H . . 2.690 2.055 2.046 2.072 . 0 0 "[ . 1 . 2]" 1 667 1 87 LEU QB 1 88 ASN HA . . 5.120 3.891 3.851 3.925 . 0 0 "[ . 1 . 2]" 1 668 1 87 LEU QB 1 89 PHE HA . . 4.990 4.842 4.738 4.886 . 0 0 "[ . 1 . 2]" 1 669 1 87 LEU QB 1 99 LEU HA . . 4.640 4.154 4.036 4.263 . 0 0 "[ . 1 . 2]" 1 670 1 87 LEU QB 1 99 LEU HB2 . . 4.430 2.539 2.318 2.654 . 0 0 "[ . 1 . 2]" 1 671 1 87 LEU QB 1 99 LEU HB3 . . 4.160 2.434 2.280 2.590 . 0 0 "[ . 1 . 2]" 1 672 1 87 LEU QB 1 99 LEU MD1 . . 4.220 2.474 2.302 2.580 . 0 0 "[ . 1 . 2]" 1 673 1 87 LEU QB 1 99 LEU MD2 . . 4.240 3.953 3.830 4.071 . 0 0 "[ . 1 . 2]" 1 674 1 87 LEU QB 1 100 GLU H . . 3.620 3.327 3.243 3.532 . 0 0 "[ . 1 . 2]" 1 675 1 87 LEU QB 1 100 GLU QG . . 5.340 5.169 4.937 5.331 . 0 0 "[ . 1 . 2]" 1 676 1 87 LEU QB 1 101 ALA HA . . 4.480 2.954 2.762 3.102 . 0 0 "[ . 1 . 2]" 1 677 1 87 LEU MD1 1 88 ASN H . . 4.170 3.946 3.884 4.000 . 0 0 "[ . 1 . 2]" 1 678 1 87 LEU MD1 1 99 LEU HB2 . . 4.190 2.200 2.003 2.413 . 0 0 "[ . 1 . 2]" 1 679 1 87 LEU MD1 1 110 ILE MG . . 3.030 2.872 2.307 3.042 0.012 4 0 "[ . 1 . 2]" 1 680 1 87 LEU MD2 1 88 ASN H . . 5.500 3.987 3.912 4.029 . 0 0 "[ . 1 . 2]" 1 681 1 87 LEU MD2 1 101 ALA HA . . 3.120 1.987 1.901 2.188 . 0 0 "[ . 1 . 2]" 1 682 1 87 LEU MD2 1 101 ALA MB . . 2.940 2.014 1.884 2.196 . 0 0 "[ . 1 . 2]" 1 683 1 87 LEU MD2 1 102 LYS H . . 3.300 3.061 2.671 3.307 0.007 20 0 "[ . 1 . 2]" 1 684 1 87 LEU MD2 1 105 THR HB . . 4.910 4.075 3.866 4.252 . 0 0 "[ . 1 . 2]" 1 685 1 87 LEU MD2 1 105 THR MG . . 3.490 3.007 2.792 3.195 . 0 0 "[ . 1 . 2]" 1 686 1 87 LEU MD2 1 107 LEU HA . . 4.560 3.867 3.707 4.130 . 0 0 "[ . 1 . 2]" 1 687 1 87 LEU MD2 1 110 ILE HB . . 4.860 4.443 4.052 4.728 . 0 0 "[ . 1 . 2]" 1 688 1 87 LEU MD2 1 110 ILE MG . . 3.620 3.454 2.999 3.624 0.004 13 0 "[ . 1 . 2]" 1 689 1 87 LEU HG 1 110 ILE MG . . 4.930 4.450 4.028 4.672 . 0 0 "[ . 1 . 2]" 1 690 1 88 ASN H 1 88 ASN HB2 . . 2.890 2.700 2.641 2.764 . 0 0 "[ . 1 . 2]" 1 691 1 88 ASN H 1 89 PHE H . . 4.050 3.957 3.872 4.019 . 0 0 "[ . 1 . 2]" 1 692 1 88 ASN H 1 89 PHE HA . . 4.870 4.523 4.442 4.591 . 0 0 "[ . 1 . 2]" 1 693 1 88 ASN H 1 99 LEU HB3 . . 3.440 2.631 2.514 2.805 . 0 0 "[ . 1 . 2]" 1 694 1 88 ASN H 1 99 LEU MD1 . . 5.500 4.062 3.907 4.173 . 0 0 "[ . 1 . 2]" 1 695 1 88 ASN H 1 100 GLU H . . 2.930 2.107 2.026 2.343 . 0 0 "[ . 1 . 2]" 1 696 1 88 ASN H 1 100 GLU HB2 . . 3.740 3.459 3.251 3.699 . 0 0 "[ . 1 . 2]" 1 697 1 88 ASN H 1 100 GLU QG . . 4.530 4.249 3.877 4.468 . 0 0 "[ . 1 . 2]" 1 698 1 88 ASN H 1 101 ALA H . . 4.690 4.586 4.548 4.651 . 0 0 "[ . 1 . 2]" 1 699 1 88 ASN HA 1 89 PHE H . . 2.730 2.152 2.147 2.158 . 0 0 "[ . 1 . 2]" 1 700 1 88 ASN HA 1 89 PHE QB . . 5.050 4.102 4.094 4.114 . 0 0 "[ . 1 . 2]" 1 701 1 88 ASN HB2 1 100 GLU H . . 3.670 3.013 2.844 3.256 . 0 0 "[ . 1 . 2]" 1 702 1 88 ASN HB2 1 100 GLU HB2 . . 4.170 2.044 1.987 2.477 . 0 0 "[ . 1 . 2]" 1 703 1 88 ASN HB2 1 100 GLU HB3 . . 4.340 3.682 3.510 4.061 . 0 0 "[ . 1 . 2]" 1 704 1 88 ASN HB2 1 100 GLU QG . . 4.650 3.589 3.419 4.080 . 0 0 "[ . 1 . 2]" 1 705 1 88 ASN HB2 1 101 ALA H . . 5.500 5.431 5.331 5.542 0.042 8 0 "[ . 1 . 2]" 1 706 1 88 ASN HB3 1 89 PHE H . . 4.000 3.793 3.745 3.940 . 0 0 "[ . 1 . 2]" 1 707 1 88 ASN HB3 1 90 LYS H . . 5.350 5.125 4.883 5.315 . 0 0 "[ . 1 . 2]" 1 708 1 88 ASN HB3 1 100 GLU H . . 3.580 3.471 3.095 3.582 0.002 20 0 "[ . 1 . 2]" 1 709 1 88 ASN HB3 1 100 GLU HB2 . . 4.220 2.972 2.581 3.149 . 0 0 "[ . 1 . 2]" 1 710 1 88 ASN HB3 1 100 GLU HB3 . . 4.950 4.671 4.224 4.844 . 0 0 "[ . 1 . 2]" 1 711 1 88 ASN HB3 1 100 GLU QG . . 4.860 3.508 2.689 3.915 . 0 0 "[ . 1 . 2]" 1 712 1 89 PHE H 1 89 PHE HB2 . . 3.140 2.709 2.668 2.754 . 0 0 "[ . 1 . 2]" 1 713 1 89 PHE H 1 89 PHE HB3 . . 3.140 2.383 2.359 2.405 . 0 0 "[ . 1 . 2]" 1 714 1 89 PHE H 1 90 LYS H . . 4.580 4.454 4.389 4.510 . 0 0 "[ . 1 . 2]" 1 715 1 89 PHE H 1 99 LEU HB3 . . 5.050 3.969 3.565 4.183 . 0 0 "[ . 1 . 2]" 1 716 1 89 PHE H 1 99 LEU MD1 . . 4.560 4.496 4.189 4.565 0.005 17 0 "[ . 1 . 2]" 1 717 1 89 PHE H 1 99 LEU MD2 . . 4.010 3.609 3.475 3.829 . 0 0 "[ . 1 . 2]" 1 718 1 89 PHE HA 1 90 LYS H . . 2.440 2.141 2.138 2.147 . 0 0 "[ . 1 . 2]" 1 719 1 89 PHE HA 1 90 LYS HA . . 4.410 4.396 4.390 4.406 . 0 0 "[ . 1 . 2]" 1 720 1 89 PHE HA 1 90 LYS QB . . 5.340 4.294 4.037 4.695 . 0 0 "[ . 1 . 2]" 1 721 1 89 PHE HA 1 99 LEU H . . 4.940 4.794 4.598 4.955 0.015 8 0 "[ . 1 . 2]" 1 722 1 89 PHE HA 1 99 LEU HA . . 3.710 2.581 2.347 2.689 . 0 0 "[ . 1 . 2]" 1 723 1 89 PHE HA 1 99 LEU HB3 . . 4.610 3.108 2.782 3.370 . 0 0 "[ . 1 . 2]" 1 724 1 89 PHE HA 1 99 LEU MD2 . . 3.340 1.889 1.879 1.938 . 0 0 "[ . 1 . 2]" 1 725 1 89 PHE HA 1 100 GLU H . . 4.030 3.958 3.779 4.034 0.004 15 0 "[ . 1 . 2]" 1 726 1 89 PHE QB 1 90 LYS H . . 4.270 3.849 3.787 3.903 . 0 0 "[ . 1 . 2]" 1 727 1 89 PHE QB 1 99 LEU HA . . 5.340 4.480 4.222 4.652 . 0 0 "[ . 1 . 2]" 1 728 1 89 PHE QB 1 99 LEU MD2 . . 3.760 2.258 1.949 2.557 . 0 0 "[ . 1 . 2]" 1 729 1 89 PHE HB2 1 99 LEU MD2 . . 4.400 2.280 1.960 2.593 . 0 0 "[ . 1 . 2]" 1 730 1 89 PHE HB3 1 99 LEU MD2 . . 4.400 3.661 3.417 3.896 . 0 0 "[ . 1 . 2]" 1 731 1 90 LYS H 1 90 LYS QE . . 4.970 4.338 3.895 4.874 . 0 0 "[ . 1 . 2]" 1 732 1 90 LYS H 1 90 LYS QG . . 3.730 2.937 1.982 3.730 . 0 0 "[ . 1 . 2]" 1 733 1 90 LYS H 1 91 GLN H . . 2.600 2.451 2.265 2.596 . 0 0 "[ . 1 . 2]" 1 734 1 90 LYS H 1 98 LEU H . . 4.980 4.759 4.515 4.973 . 0 0 "[ . 1 . 2]" 1 735 1 90 LYS H 1 99 LEU H . . 5.070 4.957 4.731 5.133 0.063 14 0 "[ . 1 . 2]" 1 736 1 90 LYS H 1 99 LEU HA . . 3.040 2.815 2.588 2.999 . 0 0 "[ . 1 . 2]" 1 737 1 90 LYS H 1 99 LEU MD2 . . 3.240 2.913 2.542 3.251 0.011 14 0 "[ . 1 . 2]" 1 738 1 90 LYS H 1 100 GLU H . . 4.380 4.319 4.076 4.440 0.060 14 0 "[ . 1 . 2]" 1 739 1 90 LYS H 1 100 GLU QG . . 4.280 4.220 4.022 4.298 0.018 14 0 "[ . 1 . 2]" 1 740 1 90 LYS HA 1 90 LYS QD . . 4.590 3.872 3.564 4.386 . 0 0 "[ . 1 . 2]" 1 741 1 90 LYS HA 1 90 LYS QG . . 3.540 2.376 2.100 3.236 . 0 0 "[ . 1 . 2]" 1 742 1 90 LYS QB 1 90 LYS QE . . 3.900 2.249 2.071 3.498 . 0 0 "[ . 1 . 2]" 1 743 1 90 LYS QB 1 91 GLN H . . 2.750 2.341 2.016 2.812 0.062 12 0 "[ . 1 . 2]" 1 744 1 90 LYS QB 1 98 LEU MD1 . . 4.220 2.767 2.100 3.854 . 0 0 "[ . 1 . 2]" 1 745 1 90 LYS QB 1 100 GLU QG . . 4.280 3.418 2.802 3.825 . 0 0 "[ . 1 . 2]" 1 746 1 90 LYS HB2 1 100 GLU QG . . 5.030 3.688 2.842 4.636 . 0 0 "[ . 1 . 2]" 1 747 1 90 LYS HB3 1 100 GLU QG . . 5.030 4.345 3.654 4.689 . 0 0 "[ . 1 . 2]" 1 748 1 90 LYS QE 1 91 GLN H . . 5.040 4.118 3.188 4.887 . 0 0 "[ . 1 . 2]" 1 749 1 90 LYS QE 1 98 LEU HG . . 4.430 3.581 2.767 4.017 . 0 0 "[ . 1 . 2]" 1 750 1 90 LYS QE 1 99 LEU HA . . 5.340 4.783 3.665 5.375 0.035 12 0 "[ . 1 . 2]" 1 751 1 90 LYS HE2 1 98 LEU MD1 . . 5.140 2.595 1.892 3.350 . 0 0 "[ . 1 . 2]" 1 752 1 90 LYS HE2 1 98 LEU HG . . 5.220 4.372 3.060 5.224 0.004 19 0 "[ . 1 . 2]" 1 753 1 90 LYS HE3 1 98 LEU MD1 . . 5.140 2.483 1.918 3.386 . 0 0 "[ . 1 . 2]" 1 754 1 90 LYS HE3 1 98 LEU HG . . 5.220 4.202 2.792 5.228 0.008 8 0 "[ . 1 . 2]" 1 755 1 90 LYS QG 1 100 GLU HB3 . . 5.340 4.815 4.379 5.371 0.031 18 0 "[ . 1 . 2]" 1 756 1 90 LYS QG 1 100 GLU QG . . 4.890 2.190 1.903 2.721 . 0 0 "[ . 1 . 2]" 1 757 1 91 GLN H 1 91 GLN QB . . 3.320 3.005 2.750 3.326 0.006 2 0 "[ . 1 . 2]" 1 758 1 91 GLN H 1 92 SER HA . . 4.880 4.638 4.596 4.710 . 0 0 "[ . 1 . 2]" 1 759 1 91 GLN H 1 98 LEU MD1 . . 3.780 3.463 3.317 3.605 . 0 0 "[ . 1 . 2]" 1 760 1 91 GLN H 1 98 LEU HG . . 2.630 2.475 2.205 2.652 0.022 12 0 "[ . 1 . 2]" 1 761 1 91 GLN H 1 99 LEU HA . . 4.880 4.658 4.394 4.890 0.010 7 0 "[ . 1 . 2]" 1 762 1 91 GLN H 1 99 LEU MD2 . . 4.350 4.064 3.767 4.294 . 0 0 "[ . 1 . 2]" 1 763 1 91 GLN HA 1 92 SER H . . 2.700 2.585 2.539 2.607 . 0 0 "[ . 1 . 2]" 1 764 1 91 GLN QB 1 92 SER H . . 2.620 2.139 1.998 2.568 . 0 0 "[ . 1 . 2]" 1 765 1 91 GLN QB 1 98 LEU MD1 . . 4.560 3.639 2.903 4.449 . 0 0 "[ . 1 . 2]" 1 766 1 92 SER H 1 92 SER HB2 . . 3.850 3.789 3.724 3.855 0.005 12 0 "[ . 1 . 2]" 1 767 1 92 SER H 1 92 SER HB3 . . 3.520 3.237 3.052 3.512 . 0 0 "[ . 1 . 2]" 1 768 1 92 SER H 1 93 SER HA . . 4.940 4.855 4.718 4.950 0.010 8 0 "[ . 1 . 2]" 1 769 1 92 SER HA 1 93 SER H . . 2.420 2.309 2.227 2.411 . 0 0 "[ . 1 . 2]" 1 770 1 92 SER HA 1 93 SER QB . . 4.630 4.088 3.929 4.552 . 0 0 "[ . 1 . 2]" 1 771 1 92 SER HA 1 95 GLY H . . 5.500 5.297 4.547 5.551 0.051 12 0 "[ . 1 . 2]" 1 772 1 92 SER HA 1 96 ILE H . . 4.510 4.267 4.042 4.552 0.042 12 0 "[ . 1 . 2]" 1 773 1 92 SER HA 1 96 ILE MD . . 5.500 4.900 3.328 5.502 0.002 5 0 "[ . 1 . 2]" 1 774 1 92 SER HA 1 97 ALA H . . 4.700 4.495 4.313 4.712 0.012 12 0 "[ . 1 . 2]" 1 775 1 92 SER HA 1 97 ALA HA . . 3.350 2.068 1.995 2.302 . 0 0 "[ . 1 . 2]" 1 776 1 92 SER HA 1 97 ALA MB . . 4.350 3.535 3.337 3.765 . 0 0 "[ . 1 . 2]" 1 777 1 92 SER HA 1 98 LEU H . . 3.050 2.853 2.223 3.088 0.038 8 0 "[ . 1 . 2]" 1 778 1 92 SER HB2 1 93 SER H . . 3.020 2.683 2.427 2.927 . 0 0 "[ . 1 . 2]" 1 779 1 92 SER HB2 1 96 ILE H . . 3.830 3.334 2.715 3.833 0.003 11 0 "[ . 1 . 2]" 1 780 1 92 SER HB2 1 97 ALA H . . 4.850 4.578 3.961 4.856 0.006 8 0 "[ . 1 . 2]" 1 781 1 92 SER HB3 1 93 SER H . . 3.960 3.847 3.650 3.959 . 0 0 "[ . 1 . 2]" 1 782 1 92 SER HB3 1 97 ALA H . . 4.850 4.463 3.811 4.851 0.001 1 0 "[ . 1 . 2]" 1 783 1 92 SER HB3 1 97 ALA HA . . 3.270 2.735 2.002 3.271 0.001 4 0 "[ . 1 . 2]" 1 784 1 92 SER HB3 1 97 ALA MB . . 3.980 2.751 2.127 3.218 . 0 0 "[ . 1 . 2]" 1 785 1 93 SER H 1 93 SER QB . . 3.030 2.454 2.185 2.684 . 0 0 "[ . 1 . 2]" 1 786 1 93 SER H 1 95 GLY H . . 3.780 3.389 2.836 3.790 0.010 19 0 "[ . 1 . 2]" 1 787 1 93 SER H 1 95 GLY QA . . 5.340 4.956 4.713 5.129 . 0 0 "[ . 1 . 2]" 1 788 1 93 SER H 1 96 ILE H . . 2.980 2.702 2.529 2.923 . 0 0 "[ . 1 . 2]" 1 789 1 93 SER H 1 96 ILE MD . . 4.260 3.770 2.350 4.259 . 0 0 "[ . 1 . 2]" 1 790 1 93 SER H 1 96 ILE QG . . 4.310 2.752 2.277 3.208 . 0 0 "[ . 1 . 2]" 1 791 1 93 SER H 1 97 ALA H . . 5.300 4.938 4.748 5.272 . 0 0 "[ . 1 . 2]" 1 792 1 93 SER H 1 98 LEU H . . 4.670 4.402 3.916 4.677 0.007 11 0 "[ . 1 . 2]" 1 793 1 93 SER HA 1 94 GLY QA . . 4.250 4.012 3.889 4.061 . 0 0 "[ . 1 . 2]" 1 794 1 93 SER HA 1 95 GLY H . . 4.730 4.593 4.269 4.745 0.015 19 0 "[ . 1 . 2]" 1 795 1 94 GLY H 1 95 GLY H . . 4.670 3.006 2.433 3.612 . 0 0 "[ . 1 . 2]" 1 796 1 94 GLY QA 1 95 GLY H . . 3.310 2.707 2.465 2.900 . 0 0 "[ . 1 . 2]" 1 797 1 95 GLY H 1 95 GLY HA2 . . 2.910 2.903 2.866 2.955 0.045 12 0 "[ . 1 . 2]" 1 798 1 95 GLY H 1 95 GLY HA3 . . 2.910 2.673 2.513 2.740 . 0 0 "[ . 1 . 2]" 1 799 1 95 GLY H 1 96 ILE H . . 2.790 1.911 1.836 2.133 . 0 0 "[ . 1 . 2]" 1 800 1 95 GLY H 1 96 ILE MD . . 5.240 4.379 2.155 5.247 0.007 15 0 "[ . 1 . 2]" 1 801 1 95 GLY H 1 96 ILE QG . . 4.780 3.057 2.699 3.917 . 0 0 "[ . 1 . 2]" 1 802 1 95 GLY H 1 96 ILE MG . . 5.000 4.115 3.512 4.724 . 0 0 "[ . 1 . 2]" 1 803 1 95 GLY QA 1 96 ILE H . . 2.990 2.837 2.647 2.903 . 0 0 "[ . 1 . 2]" 1 804 1 96 ILE H 1 96 ILE MD . . 5.500 3.696 2.099 4.092 . 0 0 "[ . 1 . 2]" 1 805 1 96 ILE H 1 96 ILE HG12 . . 3.590 2.971 2.130 3.638 0.048 12 0 "[ . 1 . 2]" 1 806 1 96 ILE H 1 96 ILE QG . . 2.870 2.214 2.021 2.421 . 0 0 "[ . 1 . 2]" 1 807 1 96 ILE H 1 96 ILE HG13 . . 3.590 2.465 2.032 3.697 0.107 19 0 "[ . 1 . 2]" 1 808 1 96 ILE H 1 97 ALA H . . 4.330 4.137 3.859 4.339 0.009 2 0 "[ . 1 . 2]" 1 809 1 96 ILE HA 1 96 ILE MG . . 3.170 2.138 2.076 2.280 . 0 0 "[ . 1 . 2]" 1 810 1 96 ILE HA 1 97 ALA H . . 2.420 2.152 2.140 2.196 . 0 0 "[ . 1 . 2]" 1 811 1 96 ILE HB 1 96 ILE MD . . 3.680 2.319 2.101 3.176 . 0 0 "[ . 1 . 2]" 1 812 1 96 ILE HB 1 97 ALA H . . 3.970 3.368 2.995 3.708 . 0 0 "[ . 1 . 2]" 1 813 1 96 ILE HB 1 97 ALA MB . . 5.320 4.899 4.733 5.068 . 0 0 "[ . 1 . 2]" 1 814 1 96 ILE HB 1 98 LEU HA . . 5.270 5.056 4.933 5.153 . 0 0 "[ . 1 . 2]" 1 815 1 96 ILE HB 1 98 LEU MD2 . . 5.500 4.964 4.658 5.252 . 0 0 "[ . 1 . 2]" 1 816 1 96 ILE QG 1 96 ILE MG . . 3.140 2.069 1.943 2.474 . 0 0 "[ . 1 . 2]" 1 817 1 96 ILE HG12 1 96 ILE MG . . 3.580 2.168 1.964 3.153 . 0 0 "[ . 1 . 2]" 1 818 1 96 ILE HG13 1 96 ILE MG . . 3.580 2.984 2.586 3.193 . 0 0 "[ . 1 . 2]" 1 819 1 96 ILE MG 1 97 ALA H . . 5.380 3.819 3.715 3.917 . 0 0 "[ . 1 . 2]" 1 820 1 96 ILE MG 1 121 VAL HA . . 4.020 3.346 3.290 3.381 . 0 0 "[ . 1 . 2]" 1 821 1 96 ILE MG 1 121 VAL MG2 . . 5.500 5.514 5.501 5.542 0.042 12 0 "[ . 1 . 2]" 1 822 1 96 ILE MG 1 122 GLN H . . 5.500 4.185 4.039 4.308 . 0 0 "[ . 1 . 2]" 1 823 1 97 ALA H 1 97 ALA MB . . 2.590 2.293 2.233 2.371 . 0 0 "[ . 1 . 2]" 1 824 1 97 ALA H 1 98 LEU H . . 4.450 4.404 4.331 4.462 0.012 20 0 "[ . 1 . 2]" 1 825 1 97 ALA HA 1 98 LEU H . . 2.490 2.143 2.142 2.146 . 0 0 "[ . 1 . 2]" 1 826 1 97 ALA HA 1 98 LEU QB . . 4.680 4.507 4.478 4.532 . 0 0 "[ . 1 . 2]" 1 827 1 97 ALA HA 1 98 LEU MD2 . . 3.470 3.337 3.164 3.469 . 0 0 "[ . 1 . 2]" 1 828 1 97 ALA MB 1 98 LEU HA . . 4.480 4.376 4.331 4.388 . 0 0 "[ . 1 . 2]" 1 829 1 97 ALA MB 1 99 LEU MD2 . . 3.600 2.033 1.929 2.149 . 0 0 "[ . 1 . 2]" 1 830 1 98 LEU H 1 98 LEU HG . . 2.420 2.310 2.243 2.369 . 0 0 "[ . 1 . 2]" 1 831 1 98 LEU H 1 99 LEU H . . 4.450 4.192 4.106 4.373 . 0 0 "[ . 1 . 2]" 1 832 1 98 LEU H 1 99 LEU MD2 . . 4.000 3.786 3.595 3.856 . 0 0 "[ . 1 . 2]" 1 833 1 98 LEU HA 1 98 LEU MD2 . . 4.420 3.586 3.531 3.662 . 0 0 "[ . 1 . 2]" 1 834 1 98 LEU HA 1 98 LEU HG . . 4.210 3.661 3.645 3.675 . 0 0 "[ . 1 . 2]" 1 835 1 98 LEU HA 1 99 LEU H . . 2.430 2.210 2.144 2.248 . 0 0 "[ . 1 . 2]" 1 836 1 98 LEU HA 1 99 LEU MD2 . . 3.970 3.854 3.661 3.955 . 0 0 "[ . 1 . 2]" 1 837 1 98 LEU QB 1 99 LEU HA . . 5.150 4.644 4.472 4.722 . 0 0 "[ . 1 . 2]" 1 838 1 98 LEU QB 1 99 LEU MD2 . . 4.700 4.626 4.429 4.705 0.005 7 0 "[ . 1 . 2]" 1 839 1 98 LEU QB 1 124 GLU QB . . 4.400 3.988 3.677 4.297 . 0 0 "[ . 1 . 2]" 1 840 1 98 LEU QB 1 124 GLU QG . . 4.970 4.438 3.938 4.871 . 0 0 "[ . 1 . 2]" 1 841 1 98 LEU MD1 1 100 GLU QG . . 4.420 3.984 3.629 4.388 . 0 0 "[ . 1 . 2]" 1 842 1 98 LEU HG 1 99 LEU MD2 . . 4.580 4.351 4.208 4.435 . 0 0 "[ . 1 . 2]" 1 843 1 98 LEU HG 1 100 GLU QG . . 5.500 5.251 5.032 5.521 0.021 8 0 "[ . 1 . 2]" 1 844 1 99 LEU H 1 99 LEU HB2 . . 3.010 2.810 2.749 2.907 . 0 0 "[ . 1 . 2]" 1 845 1 99 LEU H 1 99 LEU MD2 . . 3.520 2.747 2.604 2.923 . 0 0 "[ . 1 . 2]" 1 846 1 99 LEU H 1 99 LEU HG . . 3.000 2.081 1.964 2.220 . 0 0 "[ . 1 . 2]" 1 847 1 99 LEU H 1 100 GLU QG . . 5.370 5.183 5.050 5.339 . 0 0 "[ . 1 . 2]" 1 848 1 99 LEU HA 1 99 LEU MD1 . . 4.100 3.912 3.873 3.957 . 0 0 "[ . 1 . 2]" 1 849 1 99 LEU HA 1 99 LEU MD2 . . 3.440 2.289 2.243 2.494 . 0 0 "[ . 1 . 2]" 1 850 1 99 LEU HA 1 99 LEU HG . . 4.250 3.497 3.480 3.534 . 0 0 "[ . 1 . 2]" 1 851 1 99 LEU HA 1 100 GLU H . . 2.440 2.309 2.260 2.370 . 0 0 "[ . 1 . 2]" 1 852 1 99 LEU HA 1 100 GLU HB2 . . 4.970 4.746 4.602 4.915 . 0 0 "[ . 1 . 2]" 1 853 1 99 LEU HA 1 100 GLU QG . . 5.030 3.458 3.242 3.655 . 0 0 "[ . 1 . 2]" 1 854 1 99 LEU HB2 1 99 LEU MD1 . . 3.580 2.412 2.360 2.447 . 0 0 "[ . 1 . 2]" 1 855 1 99 LEU HB2 1 100 GLU H . . 3.710 3.453 3.213 3.621 . 0 0 "[ . 1 . 2]" 1 856 1 99 LEU HB2 1 101 ALA H . . 5.190 4.857 4.777 4.975 . 0 0 "[ . 1 . 2]" 1 857 1 99 LEU HB3 1 99 LEU MD1 . . 3.320 2.252 2.219 2.299 . 0 0 "[ . 1 . 2]" 1 858 1 99 LEU HB3 1 100 GLU H . . 3.010 2.788 2.719 2.877 . 0 0 "[ . 1 . 2]" 1 859 1 99 LEU HB3 1 100 GLU HA . . 5.140 4.974 4.934 5.049 . 0 0 "[ . 1 . 2]" 1 860 1 99 LEU MD2 1 100 GLU H . . 5.390 4.057 3.993 4.173 . 0 0 "[ . 1 . 2]" 1 861 1 100 GLU H 1 100 GLU HB2 . . 2.930 2.613 2.501 2.725 . 0 0 "[ . 1 . 2]" 1 862 1 100 GLU H 1 100 GLU QG . . 3.150 2.519 2.247 2.751 . 0 0 "[ . 1 . 2]" 1 863 1 100 GLU HA 1 101 ALA H . . 2.430 2.144 2.140 2.146 . 0 0 "[ . 1 . 2]" 1 864 1 100 GLU QG 1 126 SER QB . . 5.090 4.845 3.983 5.091 0.001 16 0 "[ . 1 . 2]" 1 865 1 101 ALA H 1 101 ALA MB . . 2.530 2.208 2.078 2.270 . 0 0 "[ . 1 . 2]" 1 866 1 101 ALA H 1 107 LEU HB2 . . 5.500 5.200 4.976 5.406 . 0 0 "[ . 1 . 2]" 1 867 1 101 ALA H 1 107 LEU MD2 . . 4.200 3.962 3.603 4.195 . 0 0 "[ . 1 . 2]" 1 868 1 101 ALA HA 1 102 LYS H . . 2.400 2.203 2.165 2.247 . 0 0 "[ . 1 . 2]" 1 869 1 101 ALA MB 1 102 LYS H . . 3.090 2.908 2.734 3.092 0.002 8 0 "[ . 1 . 2]" 1 870 1 101 ALA MB 1 105 THR HA . . 5.500 5.252 4.820 5.515 0.015 11 0 "[ . 1 . 2]" 1 871 1 101 ALA MB 1 105 THR HB . . 3.510 2.770 2.223 3.135 . 0 0 "[ . 1 . 2]" 1 872 1 101 ALA MB 1 105 THR MG . . 3.320 3.011 2.495 3.251 . 0 0 "[ . 1 . 2]" 1 873 1 101 ALA MB 1 107 LEU H . . 4.200 3.630 3.507 3.792 . 0 0 "[ . 1 . 2]" 1 874 1 101 ALA MB 1 107 LEU HA . . 4.490 3.482 3.371 3.798 . 0 0 "[ . 1 . 2]" 1 875 1 101 ALA MB 1 107 LEU HB2 . . 3.960 3.176 3.052 3.458 . 0 0 "[ . 1 . 2]" 1 876 1 101 ALA MB 1 107 LEU HB3 . . 3.760 2.080 2.019 2.304 . 0 0 "[ . 1 . 2]" 1 877 1 101 ALA MB 1 107 LEU MD1 . . 3.320 3.185 3.005 3.320 . 0 0 "[ . 1 . 2]" 1 878 1 101 ALA MB 1 107 LEU MD2 . . 3.110 2.013 1.859 2.201 . 0 0 "[ . 1 . 2]" 1 879 1 102 LYS H 1 105 THR H . . 5.010 5.000 4.906 5.033 0.023 2 0 "[ . 1 . 2]" 1 880 1 102 LYS H 1 105 THR HB . . 3.830 3.635 3.505 3.830 0.000 6 0 "[ . 1 . 2]" 1 881 1 102 LYS H 1 105 THR MG . . 4.190 4.129 3.758 4.213 0.023 16 0 "[ . 1 . 2]" 1 882 1 102 LYS H 1 107 LEU MD2 . . 5.210 5.129 4.895 5.212 0.002 7 0 "[ . 1 . 2]" 1 883 1 104 GLY QA 1 105 THR H . . 2.970 2.879 2.851 2.916 . 0 0 "[ . 1 . 2]" 1 884 1 104 GLY HA2 1 105 THR H . . 3.460 3.414 3.310 3.452 . 0 0 "[ . 1 . 2]" 1 885 1 104 GLY HA3 1 105 THR H . . 3.460 3.102 3.038 3.240 . 0 0 "[ . 1 . 2]" 1 886 1 105 THR H 1 105 THR HB . . 2.650 2.493 2.447 2.613 . 0 0 "[ . 1 . 2]" 1 887 1 105 THR H 1 107 LEU MD2 . . 4.600 4.362 4.061 4.572 . 0 0 "[ . 1 . 2]" 1 888 1 105 THR HA 1 105 THR MG . . 3.230 2.391 2.255 2.436 . 0 0 "[ . 1 . 2]" 1 889 1 105 THR HA 1 107 LEU H . . 4.910 4.871 4.679 4.921 0.011 11 0 "[ . 1 . 2]" 1 890 1 105 THR HB 1 107 LEU H . . 4.320 4.074 3.637 4.316 . 0 0 "[ . 1 . 2]" 1 891 1 105 THR HB 1 107 LEU MD2 . . 4.250 3.676 3.149 3.907 . 0 0 "[ . 1 . 2]" 1 892 1 105 THR HB 1 110 ILE MD . . 4.370 3.954 3.508 4.363 . 0 0 "[ . 1 . 2]" 1 893 1 105 THR MG 1 107 LEU H . . 3.670 3.158 2.975 3.308 . 0 0 "[ . 1 . 2]" 1 894 1 105 THR MG 1 107 LEU HA . . 4.090 3.177 3.082 3.367 . 0 0 "[ . 1 . 2]" 1 895 1 105 THR MG 1 107 LEU HB2 . . 5.110 4.944 4.613 5.127 0.017 4 0 "[ . 1 . 2]" 1 896 1 105 THR MG 1 107 LEU MD2 . . 3.850 3.773 3.307 3.854 0.004 11 0 "[ . 1 . 2]" 1 897 1 105 THR MG 1 109 ALA H . . 5.400 5.315 5.122 5.392 . 0 0 "[ . 1 . 2]" 1 898 1 105 THR MG 1 110 ILE HB . . 4.910 4.837 4.375 4.921 0.011 3 0 "[ . 1 . 2]" 1 899 1 105 THR MG 1 110 ILE MD . . 3.160 2.068 1.746 2.234 . 0 0 "[ . 1 . 2]" 1 900 1 105 THR MG 1 110 ILE HG12 . . 4.720 3.733 3.505 4.163 . 0 0 "[ . 1 . 2]" 1 901 1 105 THR MG 1 110 ILE HG13 . . 4.210 3.289 3.059 3.545 . 0 0 "[ . 1 . 2]" 1 902 1 105 THR MG 1 110 ILE MG . . 4.860 4.518 4.156 4.700 . 0 0 "[ . 1 . 2]" 1 903 1 106 ASP HA 1 107 LEU H . . 2.490 2.383 2.343 2.462 . 0 0 "[ . 1 . 2]" 1 904 1 106 ASP HA 1 107 LEU HA . . 4.830 4.584 4.560 4.627 . 0 0 "[ . 1 . 2]" 1 905 1 106 ASP HA 1 108 ASN H . . 3.480 3.367 3.226 3.485 0.005 19 0 "[ . 1 . 2]" 1 906 1 106 ASP HA 1 108 ASN QB . . 4.570 4.272 4.098 4.407 . 0 0 "[ . 1 . 2]" 1 907 1 106 ASP HA 1 109 ALA H . . 4.270 4.005 3.758 4.119 . 0 0 "[ . 1 . 2]" 1 908 1 106 ASP HA 1 110 ILE H . . 5.500 5.377 4.885 5.525 0.025 18 0 "[ . 1 . 2]" 1 909 1 106 ASP QB 1 108 ASN H . . 4.110 3.724 3.551 3.892 . 0 0 "[ . 1 . 2]" 1 910 1 106 ASP QB 1 109 ALA H . . 3.340 2.709 2.376 2.968 . 0 0 "[ . 1 . 2]" 1 911 1 106 ASP QB 1 109 ALA MB . . 3.380 2.168 1.932 2.420 . 0 0 "[ . 1 . 2]" 1 912 1 106 ASP QB 1 110 ILE H . . 4.180 3.977 3.480 4.150 . 0 0 "[ . 1 . 2]" 1 913 1 106 ASP HB2 1 108 ASN H . . 4.840 4.678 3.776 4.840 . 0 0 "[ . 1 . 2]" 1 914 1 106 ASP HB2 1 109 ALA H . . 4.030 3.323 2.391 3.668 . 0 0 "[ . 1 . 2]" 1 915 1 106 ASP HB2 1 109 ALA MB . . 3.980 2.396 1.948 2.770 . 0 0 "[ . 1 . 2]" 1 916 1 106 ASP HB2 1 110 ILE H . . 5.000 4.286 3.542 4.678 . 0 0 "[ . 1 . 2]" 1 917 1 106 ASP HB3 1 108 ASN H . . 4.840 3.993 3.657 4.858 0.018 4 0 "[ . 1 . 2]" 1 918 1 106 ASP HB3 1 109 ALA H . . 4.030 3.020 2.636 4.083 0.053 6 0 "[ . 1 . 2]" 1 919 1 106 ASP HB3 1 109 ALA MB . . 3.980 2.582 2.233 3.220 . 0 0 "[ . 1 . 2]" 1 920 1 106 ASP HB3 1 110 ILE H . . 5.000 4.789 4.471 5.104 0.104 4 0 "[ . 1 . 2]" 1 921 1 107 LEU H 1 107 LEU HA . . 2.940 2.773 2.759 2.792 . 0 0 "[ . 1 . 2]" 1 922 1 107 LEU H 1 107 LEU HB3 . . 2.980 2.702 2.667 2.744 . 0 0 "[ . 1 . 2]" 1 923 1 107 LEU H 1 107 LEU MD1 . . 3.830 3.811 3.763 3.845 0.015 4 0 "[ . 1 . 2]" 1 924 1 107 LEU H 1 107 LEU MD2 . . 3.390 2.046 1.913 2.153 . 0 0 "[ . 1 . 2]" 1 925 1 107 LEU H 1 107 LEU HG . . 2.520 2.391 2.266 2.483 . 0 0 "[ . 1 . 2]" 1 926 1 107 LEU H 1 108 ASN H . . 2.870 2.741 2.673 2.775 . 0 0 "[ . 1 . 2]" 1 927 1 107 LEU H 1 108 ASN QB . . 4.720 4.478 4.354 4.707 . 0 0 "[ . 1 . 2]" 1 928 1 107 LEU H 1 109 ALA H . . 4.570 4.312 4.139 4.464 . 0 0 "[ . 1 . 2]" 1 929 1 107 LEU H 1 110 ILE H . . 5.180 4.866 4.709 4.947 . 0 0 "[ . 1 . 2]" 1 930 1 107 LEU HA 1 107 LEU MD2 . . 3.770 3.606 3.547 3.694 . 0 0 "[ . 1 . 2]" 1 931 1 107 LEU HA 1 108 ASN H . . 3.570 3.503 3.473 3.527 . 0 0 "[ . 1 . 2]" 1 932 1 107 LEU HA 1 109 ALA H . . 4.440 4.156 3.863 4.379 . 0 0 "[ . 1 . 2]" 1 933 1 107 LEU HA 1 110 ILE H . . 3.390 3.225 3.051 3.425 0.035 4 0 "[ . 1 . 2]" 1 934 1 107 LEU HA 1 110 ILE HA . . 5.130 5.061 4.874 5.194 0.064 6 0 "[ . 1 . 2]" 1 935 1 107 LEU HA 1 110 ILE HB . . 3.740 2.811 2.535 2.967 . 0 0 "[ . 1 . 2]" 1 936 1 107 LEU HA 1 110 ILE MD . . 4.040 2.022 1.947 2.215 . 0 0 "[ . 1 . 2]" 1 937 1 107 LEU HA 1 110 ILE HG12 . . 4.960 3.927 3.703 4.406 . 0 0 "[ . 1 . 2]" 1 938 1 107 LEU HA 1 110 ILE MG . . 4.070 3.990 3.825 4.076 0.006 17 0 "[ . 1 . 2]" 1 939 1 107 LEU HB2 1 108 ASN HA . . 4.940 4.320 4.230 4.386 . 0 0 "[ . 1 . 2]" 1 940 1 107 LEU HB2 1 110 ILE HB . . 4.480 4.146 3.937 4.499 0.019 6 0 "[ . 1 . 2]" 1 941 1 107 LEU HB2 1 110 ILE MG . . 5.410 5.085 4.923 5.321 . 0 0 "[ . 1 . 2]" 1 942 1 107 LEU HB3 1 107 LEU MD2 . . 3.670 1.984 1.939 2.084 . 0 0 "[ . 1 . 2]" 1 943 1 107 LEU HB3 1 110 ILE MD . . 4.160 3.256 2.959 3.455 . 0 0 "[ . 1 . 2]" 1 944 1 107 LEU MD2 1 108 ASN H . . 4.090 3.528 3.356 3.685 . 0 0 "[ . 1 . 2]" 1 945 1 107 LEU MD2 1 125 LEU HA . . 5.500 5.313 4.950 5.504 0.004 7 0 "[ . 1 . 2]" 1 946 1 107 LEU HG 1 108 ASN H . . 2.970 2.087 1.954 2.241 . 0 0 "[ . 1 . 2]" 1 947 1 108 ASN H 1 108 ASN HA . . 2.940 2.804 2.778 2.854 . 0 0 "[ . 1 . 2]" 1 948 1 108 ASN H 1 108 ASN QB . . 2.510 2.154 2.082 2.408 . 0 0 "[ . 1 . 2]" 1 949 1 108 ASN H 1 109 ALA H . . 2.720 2.674 2.510 2.725 0.005 3 0 "[ . 1 . 2]" 1 950 1 108 ASN H 1 110 ILE H . . 4.290 4.021 3.959 4.161 . 0 0 "[ . 1 . 2]" 1 951 1 108 ASN HA 1 109 ALA HA . . 4.860 4.726 4.675 4.776 . 0 0 "[ . 1 . 2]" 1 952 1 108 ASN HA 1 110 ILE H . . 4.620 4.278 4.064 4.618 . 0 0 "[ . 1 . 2]" 1 953 1 108 ASN HA 1 111 ALA H . . 4.890 3.837 3.654 4.091 . 0 0 "[ . 1 . 2]" 1 954 1 108 ASN HA 1 111 ALA MB . . 3.720 3.323 3.162 3.607 . 0 0 "[ . 1 . 2]" 1 955 1 108 ASN HA 1 123 ILE MD . . 3.590 2.056 1.911 2.293 . 0 0 "[ . 1 . 2]" 1 956 1 108 ASN HA 1 123 ILE QG . . 4.320 2.662 2.006 3.360 . 0 0 "[ . 1 . 2]" 1 957 1 108 ASN HA 1 123 ILE MG . . 4.290 2.917 2.415 3.539 . 0 0 "[ . 1 . 2]" 1 958 1 108 ASN QB 1 109 ALA H . . 3.110 2.706 2.544 2.905 . 0 0 "[ . 1 . 2]" 1 959 1 108 ASN QB 1 109 ALA HA . . 4.850 3.887 3.812 3.956 . 0 0 "[ . 1 . 2]" 1 960 1 108 ASN QB 1 110 ILE H . . 5.240 4.619 4.492 4.789 . 0 0 "[ . 1 . 2]" 1 961 1 108 ASN QB 1 123 ILE MD . . 4.440 3.862 3.618 3.957 . 0 0 "[ . 1 . 2]" 1 962 1 108 ASN HB2 1 109 ALA MB . . 4.860 4.648 4.005 4.863 0.003 3 0 "[ . 1 . 2]" 1 963 1 108 ASN HB2 1 123 ILE MD . . 5.070 4.285 3.889 4.740 . 0 0 "[ . 1 . 2]" 1 964 1 108 ASN HB2 1 123 ILE QG . . 5.500 4.507 3.867 5.054 . 0 0 "[ . 1 . 2]" 1 965 1 108 ASN HB3 1 109 ALA MB . . 4.860 3.998 3.737 4.692 . 0 0 "[ . 1 . 2]" 1 966 1 108 ASN HB3 1 123 ILE MD . . 5.070 4.462 4.037 4.766 . 0 0 "[ . 1 . 2]" 1 967 1 108 ASN HB3 1 123 ILE QG . . 5.500 4.479 3.687 5.358 . 0 0 "[ . 1 . 2]" 1 968 1 109 ALA H 1 109 ALA MB . . 2.400 2.161 2.078 2.278 . 0 0 "[ . 1 . 2]" 1 969 1 109 ALA H 1 110 ILE H . . 2.590 2.467 2.341 2.593 0.003 2 0 "[ . 1 . 2]" 1 970 1 109 ALA HA 1 110 ILE HA . . 5.140 4.833 4.781 4.883 . 0 0 "[ . 1 . 2]" 1 971 1 109 ALA HA 1 110 ILE HG13 . . 5.500 5.374 5.277 5.502 0.002 6 0 "[ . 1 . 2]" 1 972 1 109 ALA HA 1 111 ALA H . . 4.520 4.396 3.996 4.522 0.002 13 0 "[ . 1 . 2]" 1 973 1 109 ALA HA 1 112 THR HB . . 3.770 3.194 2.843 3.464 . 0 0 "[ . 1 . 2]" 1 974 1 109 ALA HA 1 112 THR MG . . 4.810 4.276 3.817 4.545 . 0 0 "[ . 1 . 2]" 1 975 1 109 ALA MB 1 110 ILE H . . 2.860 2.801 2.653 2.866 0.006 15 0 "[ . 1 . 2]" 1 976 1 109 ALA MB 1 110 ILE HA . . 4.620 3.774 3.696 3.901 . 0 0 "[ . 1 . 2]" 1 977 1 109 ALA MB 1 112 THR HB . . 4.370 3.940 3.738 4.129 . 0 0 "[ . 1 . 2]" 1 978 1 110 ILE H 1 110 ILE HA . . 2.870 2.798 2.755 2.837 . 0 0 "[ . 1 . 2]" 1 979 1 110 ILE H 1 110 ILE HB . . 2.620 2.552 2.510 2.605 . 0 0 "[ . 1 . 2]" 1 980 1 110 ILE H 1 110 ILE MD . . 3.750 3.577 3.480 3.613 . 0 0 "[ . 1 . 2]" 1 981 1 110 ILE H 1 110 ILE HG12 . . 3.470 3.320 3.207 3.473 0.003 4 0 "[ . 1 . 2]" 1 982 1 110 ILE H 1 110 ILE HG13 . . 2.830 2.076 1.991 2.142 . 0 0 "[ . 1 . 2]" 1 983 1 110 ILE H 1 111 ALA H . . 2.850 2.755 2.629 2.870 0.020 6 0 "[ . 1 . 2]" 1 984 1 110 ILE H 1 112 THR HB . . 5.460 5.260 5.107 5.517 0.057 20 0 "[ . 1 . 2]" 1 985 1 110 ILE H 1 113 LYS H . . 5.490 5.118 4.964 5.385 . 0 0 "[ . 1 . 2]" 1 986 1 110 ILE H 1 113 LYS QG . . 5.340 4.560 3.982 4.874 . 0 0 "[ . 1 . 2]" 1 987 1 110 ILE HA 1 110 ILE MD . . 4.010 3.822 3.811 3.845 . 0 0 "[ . 1 . 2]" 1 988 1 110 ILE HA 1 110 ILE HG12 . . 3.940 2.520 2.504 2.561 . 0 0 "[ . 1 . 2]" 1 989 1 110 ILE HA 1 110 ILE HG13 . . 3.990 3.021 2.852 3.061 . 0 0 "[ . 1 . 2]" 1 990 1 110 ILE HA 1 110 ILE MG . . 3.470 2.367 2.316 2.397 . 0 0 "[ . 1 . 2]" 1 991 1 110 ILE HA 1 112 THR HB . . 5.290 4.893 4.712 5.245 . 0 0 "[ . 1 . 2]" 1 992 1 110 ILE HA 1 113 LYS H . . 3.550 3.476 3.325 3.556 0.006 4 0 "[ . 1 . 2]" 1 993 1 110 ILE HA 1 113 LYS QB . . 3.720 3.438 3.047 3.744 0.024 20 0 "[ . 1 . 2]" 1 994 1 110 ILE HA 1 113 LYS QD . . 4.510 4.128 3.506 4.515 0.005 7 0 "[ . 1 . 2]" 1 995 1 110 ILE HA 1 113 LYS HG2 . . 4.770 3.337 2.511 3.995 . 0 0 "[ . 1 . 2]" 1 996 1 110 ILE HA 1 113 LYS QG . . 3.990 2.423 1.992 2.674 . 0 0 "[ . 1 . 2]" 1 997 1 110 ILE HA 1 113 LYS HG3 . . 4.770 2.662 2.000 3.327 . 0 0 "[ . 1 . 2]" 1 998 1 110 ILE HB 1 111 ALA H . . 2.720 2.506 2.417 2.729 0.009 20 0 "[ . 1 . 2]" 1 999 1 110 ILE HB 1 111 ALA HA . . 4.600 4.211 4.182 4.308 . 0 0 "[ . 1 . 2]" 1 1000 1 110 ILE HB 1 111 ALA MB . . 4.300 3.999 3.887 4.119 . 0 0 "[ . 1 . 2]" 1 1001 1 110 ILE HB 1 113 LYS H . . 5.500 5.368 5.298 5.446 . 0 0 "[ . 1 . 2]" 1 1002 1 110 ILE HB 1 123 ILE MD . . 4.690 4.335 3.907 4.693 0.003 20 0 "[ . 1 . 2]" 1 1003 1 110 ILE MD 1 110 ILE MG . . 3.200 1.997 1.917 2.095 . 0 0 "[ . 1 . 2]" 1 1004 1 110 ILE MD 1 114 LEU QD . . 4.880 4.475 4.264 4.730 . 0 0 "[ . 1 . 2]" 1 1005 1 110 ILE HG12 1 110 ILE MG . . 3.690 2.378 2.338 2.411 . 0 0 "[ . 1 . 2]" 1 1006 1 110 ILE HG12 1 113 LYS QB . . 5.460 5.223 4.922 5.421 . 0 0 "[ . 1 . 2]" 1 1007 1 110 ILE HG12 1 113 LYS QG . . 4.350 4.296 4.089 4.355 0.005 2 0 "[ . 1 . 2]" 1 1008 1 110 ILE HG13 1 110 ILE MG . . 3.720 3.195 3.186 3.203 . 0 0 "[ . 1 . 2]" 1 1009 1 110 ILE HG13 1 111 ALA H . . 4.290 4.185 4.139 4.329 0.039 6 0 "[ . 1 . 2]" 1 1010 1 110 ILE MG 1 111 ALA H . . 5.130 3.371 3.263 3.530 . 0 0 "[ . 1 . 2]" 1 1011 1 110 ILE MG 1 111 ALA HA . . 4.330 3.463 3.348 3.646 . 0 0 "[ . 1 . 2]" 1 1012 1 110 ILE MG 1 113 LYS H . . 4.270 4.112 3.866 4.274 0.004 9 0 "[ . 1 . 2]" 1 1013 1 110 ILE MG 1 113 LYS QB . . 4.650 3.360 3.092 3.578 . 0 0 "[ . 1 . 2]" 1 1014 1 110 ILE MG 1 113 LYS QD . . 5.160 4.903 4.081 5.167 0.007 15 0 "[ . 1 . 2]" 1 1015 1 110 ILE MG 1 113 LYS QG . . 3.780 3.570 3.241 3.754 . 0 0 "[ . 1 . 2]" 1 1016 1 110 ILE MG 1 114 LEU HB2 . . 5.500 4.970 4.682 5.160 . 0 0 "[ . 1 . 2]" 1 1017 1 110 ILE MG 1 114 LEU QD . . 3.280 2.441 2.338 2.576 . 0 0 "[ . 1 . 2]" 1 1018 1 110 ILE MG 1 114 LEU HG . . 4.170 2.984 2.605 3.271 . 0 0 "[ . 1 . 2]" 1 1019 1 110 ILE MG 1 121 VAL MG2 . . 5.010 4.920 4.712 5.017 0.007 18 0 "[ . 1 . 2]" 1 1020 1 111 ALA H 1 111 ALA HA . . 2.910 2.783 2.766 2.813 . 0 0 "[ . 1 . 2]" 1 1021 1 111 ALA H 1 111 ALA MB . . 2.400 2.144 2.027 2.221 . 0 0 "[ . 1 . 2]" 1 1022 1 111 ALA H 1 112 THR H . . 3.710 2.722 2.619 2.839 . 0 0 "[ . 1 . 2]" 1 1023 1 111 ALA H 1 114 LEU QD . . 4.040 3.978 3.871 4.046 0.006 18 0 "[ . 1 . 2]" 1 1024 1 111 ALA H 1 121 VAL MG2 . . 4.480 4.403 4.231 4.485 0.005 19 0 "[ . 1 . 2]" 1 1025 1 111 ALA H 1 123 ILE MD . . 3.470 3.115 2.755 3.474 0.004 20 0 "[ . 1 . 2]" 1 1026 1 111 ALA HA 1 113 LYS H . . 5.500 3.882 3.823 3.973 . 0 0 "[ . 1 . 2]" 1 1027 1 111 ALA HA 1 114 LEU HB2 . . 4.410 3.160 3.016 3.509 . 0 0 "[ . 1 . 2]" 1 1028 1 111 ALA HA 1 114 LEU MD1 . . 4.610 2.125 1.991 2.338 . 0 0 "[ . 1 . 2]" 1 1029 1 111 ALA HA 1 114 LEU QD . . 3.710 2.119 1.988 2.328 . 0 0 "[ . 1 . 2]" 1 1030 1 111 ALA HA 1 114 LEU MD2 . . 4.610 4.197 3.916 4.461 . 0 0 "[ . 1 . 2]" 1 1031 1 111 ALA HA 1 121 VAL HB . . 4.920 4.466 4.255 4.735 . 0 0 "[ . 1 . 2]" 1 1032 1 111 ALA HA 1 121 VAL MG1 . . 3.880 3.761 3.539 3.871 . 0 0 "[ . 1 . 2]" 1 1033 1 111 ALA HA 1 121 VAL MG2 . . 3.780 2.494 2.240 2.634 . 0 0 "[ . 1 . 2]" 1 1034 1 111 ALA MB 1 112 THR H . . 4.580 2.802 2.561 2.955 . 0 0 "[ . 1 . 2]" 1 1035 1 111 ALA MB 1 112 THR HA . . 4.770 3.837 3.656 3.908 . 0 0 "[ . 1 . 2]" 1 1036 1 111 ALA MB 1 114 LEU HB2 . . 4.780 4.167 4.069 4.457 . 0 0 "[ . 1 . 2]" 1 1037 1 111 ALA MB 1 114 LEU QD . . 4.550 3.166 3.090 3.351 . 0 0 "[ . 1 . 2]" 1 1038 1 111 ALA MB 1 115 LYS QD . . 4.300 2.647 2.235 3.833 . 0 0 "[ . 1 . 2]" 1 1039 1 111 ALA MB 1 121 VAL H . . 5.150 4.777 4.599 4.951 . 0 0 "[ . 1 . 2]" 1 1040 1 111 ALA MB 1 121 VAL MG1 . . 4.020 3.760 3.516 3.912 . 0 0 "[ . 1 . 2]" 1 1041 1 111 ALA MB 1 121 VAL MG2 . . 3.590 1.934 1.795 2.092 . 0 0 "[ . 1 . 2]" 1 1042 1 111 ALA MB 1 123 ILE MD . . 2.960 1.880 1.740 2.096 . 0 0 "[ . 1 . 2]" 1 1043 1 112 THR H 1 112 THR HB . . 4.210 2.528 2.309 2.587 . 0 0 "[ . 1 . 2]" 1 1044 1 112 THR H 1 112 THR MG . . 4.770 3.709 2.581 3.774 . 0 0 "[ . 1 . 2]" 1 1045 1 112 THR H 1 113 LYS HA . . 5.300 5.200 5.098 5.284 . 0 0 "[ . 1 . 2]" 1 1046 1 112 THR HA 1 112 THR MG . . 3.120 2.400 2.315 3.162 0.042 20 0 "[ . 1 . 2]" 1 1047 1 112 THR HA 1 113 LYS H . . 3.530 3.460 3.458 3.464 . 0 0 "[ . 1 . 2]" 1 1048 1 112 THR HA 1 113 LYS HA . . 4.650 4.701 4.685 4.744 0.094 9 0 "[ . 1 . 2]" 1 1049 1 112 THR HA 1 115 LYS QB . . 3.860 3.143 2.909 3.338 . 0 0 "[ . 1 . 2]" 1 1050 1 112 THR HA 1 115 LYS QD . . 4.220 3.218 2.532 4.238 0.018 9 0 "[ . 1 . 2]" 1 1051 1 112 THR HA 1 115 LYS QE . . 5.120 4.646 2.547 5.121 0.001 17 0 "[ . 1 . 2]" 1 1052 1 112 THR HA 1 115 LYS QG . . 4.750 4.155 2.655 4.578 . 0 0 "[ . 1 . 2]" 1 1053 1 112 THR HB 1 113 LYS H . . 4.600 3.047 3.001 3.843 . 0 0 "[ . 1 . 2]" 1 1054 1 112 THR MG 1 113 LYS H . . 3.760 3.672 2.194 3.763 0.003 15 0 "[ . 1 . 2]" 1 1055 1 112 THR MG 1 113 LYS HA . . 3.730 3.615 3.126 3.715 . 0 0 "[ . 1 . 2]" 1 1056 1 112 THR MG 1 113 LYS QB . . 5.160 4.809 3.610 4.925 . 0 0 "[ . 1 . 2]" 1 1057 1 113 LYS H 1 113 LYS QB . . 2.730 2.553 2.470 2.617 . 0 0 "[ . 1 . 2]" 1 1058 1 113 LYS H 1 113 LYS QE . . 4.570 4.052 3.315 4.586 0.016 20 0 "[ . 1 . 2]" 1 1059 1 113 LYS H 1 113 LYS HG2 . . 3.570 2.381 2.011 2.815 . 0 0 "[ . 1 . 2]" 1 1060 1 113 LYS H 1 113 LYS QG . . 2.950 2.201 1.999 2.321 . 0 0 "[ . 1 . 2]" 1 1061 1 113 LYS H 1 113 LYS HG3 . . 3.570 3.074 2.336 3.585 0.015 20 0 "[ . 1 . 2]" 1 1062 1 113 LYS H 1 114 LEU H . . 2.900 2.377 2.337 2.470 . 0 0 "[ . 1 . 2]" 1 1063 1 113 LYS H 1 114 LEU HB2 . . 5.450 4.850 4.719 5.001 . 0 0 "[ . 1 . 2]" 1 1064 1 113 LYS H 1 114 LEU MD1 . . 5.070 4.704 4.557 4.891 . 0 0 "[ . 1 . 2]" 1 1065 1 113 LYS H 1 114 LEU QD . . 4.360 4.152 4.011 4.256 . 0 0 "[ . 1 . 2]" 1 1066 1 113 LYS H 1 114 LEU MD2 . . 5.070 4.643 4.316 4.984 . 0 0 "[ . 1 . 2]" 1 1067 1 113 LYS HA 1 113 LYS QD . . 4.220 3.122 2.047 4.093 . 0 0 "[ . 1 . 2]" 1 1068 1 113 LYS HA 1 114 LEU HA . . 5.020 4.705 4.689 4.767 . 0 0 "[ . 1 . 2]" 1 1069 1 113 LYS QB 1 114 LEU H . . 2.850 2.820 2.537 2.856 0.006 4 0 "[ . 1 . 2]" 1 1070 1 113 LYS QB 1 114 LEU HA . . 4.820 3.938 3.832 3.972 . 0 0 "[ . 1 . 2]" 1 1071 1 113 LYS QD 1 114 LEU QD . . 5.440 5.232 4.798 5.442 0.002 3 0 "[ . 1 . 2]" 1 1072 1 113 LYS QE 1 114 LEU H . . 5.500 5.257 4.853 5.504 0.004 3 0 "[ . 1 . 2]" 1 1073 1 113 LYS QG 1 114 LEU QD . . 5.280 4.388 4.225 4.604 . 0 0 "[ . 1 . 2]" 1 1074 1 114 LEU H 1 114 LEU HA . . 2.910 2.878 2.829 2.888 . 0 0 "[ . 1 . 2]" 1 1075 1 114 LEU H 1 114 LEU MD1 . . 3.510 3.454 3.351 3.515 0.005 10 0 "[ . 1 . 2]" 1 1076 1 114 LEU H 1 114 LEU MD2 . . 3.510 3.232 2.976 3.506 . 0 0 "[ . 1 . 2]" 1 1077 1 114 LEU H 1 114 LEU HG . . 2.610 2.024 1.944 2.159 . 0 0 "[ . 1 . 2]" 1 1078 1 114 LEU HA 1 114 LEU MD1 . . 4.390 3.969 3.930 3.981 . 0 0 "[ . 1 . 2]" 1 1079 1 114 LEU HA 1 114 LEU QD . . 3.210 2.328 2.180 2.463 . 0 0 "[ . 1 . 2]" 1 1080 1 114 LEU HA 1 114 LEU MD2 . . 4.390 2.345 2.190 2.487 . 0 0 "[ . 1 . 2]" 1 1081 1 114 LEU HA 1 117 GLU QB . . 4.490 4.027 3.640 4.443 . 0 0 "[ . 1 . 2]" 1 1082 1 114 LEU HA 1 117 GLU QG . . 3.920 3.126 2.673 3.374 . 0 0 "[ . 1 . 2]" 1 1083 1 114 LEU HA 1 119 VAL HB . . 5.060 3.916 3.356 5.060 . 14 0 "[ . 1 . 2]" 1 1084 1 114 LEU HA 1 119 VAL QG . . 4.140 3.011 2.699 3.470 . 0 0 "[ . 1 . 2]" 1 1085 1 114 LEU HB2 1 114 LEU HG . . 2.940 2.530 2.480 2.585 . 0 0 "[ . 1 . 2]" 1 1086 1 114 LEU HB2 1 115 LYS H . . 2.930 2.204 2.087 2.479 . 0 0 "[ . 1 . 2]" 1 1087 1 114 LEU HB2 1 116 SER H . . 4.800 4.526 4.410 4.655 . 0 0 "[ . 1 . 2]" 1 1088 1 114 LEU HB2 1 117 GLU H . . 5.500 5.389 5.215 5.501 0.001 9 0 "[ . 1 . 2]" 1 1089 1 114 LEU HB2 1 119 VAL HB . . 4.860 3.299 2.712 4.874 0.014 12 0 "[ . 1 . 2]" 1 1090 1 114 LEU HB2 1 119 VAL QG . . 4.520 3.117 2.256 3.551 . 0 0 "[ . 1 . 2]" 1 1091 1 114 LEU HB2 1 121 VAL MG1 . . 4.740 2.651 2.467 2.850 . 0 0 "[ . 1 . 2]" 1 1092 1 114 LEU HB2 1 121 VAL MG2 . . 3.350 2.796 2.425 3.154 . 0 0 "[ . 1 . 2]" 1 1093 1 114 LEU HB3 1 119 VAL MG1 . . 4.110 2.597 1.916 3.348 . 0 0 "[ . 1 . 2]" 1 1094 1 114 LEU HB3 1 119 VAL QG . . 3.520 2.376 1.911 2.827 . 0 0 "[ . 1 . 2]" 1 1095 1 114 LEU HB3 1 119 VAL MG2 . . 4.110 3.027 2.697 3.810 . 0 0 "[ . 1 . 2]" 1 1096 1 114 LEU HB3 1 121 VAL MG1 . . 4.480 3.074 2.886 3.450 . 0 0 "[ . 1 . 2]" 1 1097 1 114 LEU HB3 1 121 VAL MG2 . . 4.720 4.068 3.699 4.522 . 0 0 "[ . 1 . 2]" 1 1098 1 114 LEU QD 1 116 SER H . . 5.440 5.080 5.016 5.158 . 0 0 "[ . 1 . 2]" 1 1099 1 114 LEU QD 1 119 VAL HB . . 5.360 3.780 3.357 4.800 . 0 0 "[ . 1 . 2]" 1 1100 1 114 LEU QD 1 119 VAL QG . . 3.680 2.800 2.571 3.180 . 0 0 "[ . 1 . 2]" 1 1101 1 114 LEU QD 1 121 VAL H . . 5.280 5.049 4.889 5.173 . 0 0 "[ . 1 . 2]" 1 1102 1 114 LEU QD 1 121 VAL HB . . 5.440 3.363 3.117 3.629 . 0 0 "[ . 1 . 2]" 1 1103 1 114 LEU QD 1 121 VAL MG1 . . 3.460 1.937 1.831 2.094 . 0 0 "[ . 1 . 2]" 1 1104 1 114 LEU QD 1 121 VAL MG2 . . 3.740 2.428 2.116 2.757 . 0 0 "[ . 1 . 2]" 1 1105 1 114 LEU HG 1 121 VAL MG1 . . 4.750 4.160 4.057 4.363 . 0 0 "[ . 1 . 2]" 1 1106 1 115 LYS H 1 115 LYS HA . . 2.940 2.782 2.762 2.809 . 0 0 "[ . 1 . 2]" 1 1107 1 115 LYS H 1 115 LYS QB . . 3.000 2.524 2.392 2.635 . 0 0 "[ . 1 . 2]" 1 1108 1 115 LYS H 1 115 LYS QE . . 5.040 4.579 3.237 4.973 . 0 0 "[ . 1 . 2]" 1 1109 1 115 LYS H 1 115 LYS QG . . 2.860 2.025 1.935 2.270 . 0 0 "[ . 1 . 2]" 1 1110 1 115 LYS H 1 116 SER H . . 2.740 2.700 2.629 2.751 0.011 12 0 "[ . 1 . 2]" 1 1111 1 115 LYS H 1 118 GLY H . . 5.300 4.837 4.737 5.027 . 0 0 "[ . 1 . 2]" 1 1112 1 115 LYS H 1 119 VAL H . . 4.810 4.285 4.124 4.722 . 0 0 "[ . 1 . 2]" 1 1113 1 115 LYS H 1 119 VAL QG . . 4.130 3.899 2.906 4.147 0.017 20 0 "[ . 1 . 2]" 1 1114 1 115 LYS H 1 121 VAL H . . 5.360 5.346 5.231 5.374 0.014 9 0 "[ . 1 . 2]" 1 1115 1 115 LYS H 1 121 VAL MG1 . . 4.400 3.940 3.833 4.084 . 0 0 "[ . 1 . 2]" 1 1116 1 115 LYS HA 1 115 LYS QD . . 4.530 4.166 3.710 4.254 . 0 0 "[ . 1 . 2]" 1 1117 1 115 LYS HA 1 115 LYS QE . . 4.530 4.297 3.942 4.537 0.007 17 0 "[ . 1 . 2]" 1 1118 1 115 LYS HA 1 118 GLY H . . 3.520 2.895 2.809 3.130 . 0 0 "[ . 1 . 2]" 1 1119 1 115 LYS HA 1 118 GLY HA2 . . 4.600 3.904 3.719 4.367 . 0 0 "[ . 1 . 2]" 1 1120 1 115 LYS HA 1 119 VAL H . . 2.820 2.051 1.947 2.512 . 0 0 "[ . 1 . 2]" 1 1121 1 115 LYS HA 1 119 VAL HB . . 5.020 3.375 2.610 4.503 . 0 0 "[ . 1 . 2]" 1 1122 1 115 LYS HA 1 119 VAL MG1 . . 4.740 3.927 1.980 4.580 . 0 0 "[ . 1 . 2]" 1 1123 1 115 LYS HA 1 119 VAL QG . . 4.150 3.264 1.977 3.727 . 0 0 "[ . 1 . 2]" 1 1124 1 115 LYS HA 1 119 VAL MG2 . . 4.740 3.940 3.429 4.555 . 0 0 "[ . 1 . 2]" 1 1125 1 115 LYS HA 1 120 ASN H . . 5.430 5.032 4.836 5.230 . 0 0 "[ . 1 . 2]" 1 1126 1 115 LYS HA 1 121 VAL MG1 . . 4.680 4.404 4.237 4.549 . 0 0 "[ . 1 . 2]" 1 1127 1 115 LYS HA 1 121 VAL MG2 . . 4.680 4.329 4.081 4.515 . 0 0 "[ . 1 . 2]" 1 1128 1 115 LYS QB 1 116 SER H . . 3.090 2.883 2.799 3.031 . 0 0 "[ . 1 . 2]" 1 1129 1 115 LYS QB 1 118 GLY H . . 4.600 4.317 4.079 4.450 . 0 0 "[ . 1 . 2]" 1 1130 1 115 LYS QB 1 119 VAL H . . 4.640 4.076 3.792 4.447 . 0 0 "[ . 1 . 2]" 1 1131 1 115 LYS QB 1 121 VAL H . . 5.010 4.653 4.429 4.789 . 0 0 "[ . 1 . 2]" 1 1132 1 115 LYS QD 1 121 VAL MG2 . . 3.380 2.164 1.893 3.094 . 0 0 "[ . 1 . 2]" 1 1133 1 115 LYS QE 1 121 VAL H . . 4.120 3.601 2.006 4.129 0.009 9 0 "[ . 1 . 2]" 1 1134 1 115 LYS QE 1 121 VAL MG2 . . 4.180 3.264 1.836 3.957 . 0 0 "[ . 1 . 2]" 1 1135 1 115 LYS QG 1 117 GLU H . . 5.500 5.414 5.329 5.508 0.008 18 0 "[ . 1 . 2]" 1 1136 1 115 LYS QG 1 118 GLY H . . 5.500 5.033 4.889 5.201 . 0 0 "[ . 1 . 2]" 1 1137 1 115 LYS QG 1 120 ASN H . . 5.050 4.846 4.651 5.048 . 0 0 "[ . 1 . 2]" 1 1138 1 115 LYS QG 1 121 VAL H . . 3.810 2.637 2.469 2.867 . 0 0 "[ . 1 . 2]" 1 1139 1 115 LYS QG 1 121 VAL HB . . 4.720 4.610 4.423 4.724 0.004 20 0 "[ . 1 . 2]" 1 1140 1 115 LYS QG 1 121 VAL MG2 . . 3.890 2.059 1.909 2.209 . 0 0 "[ . 1 . 2]" 1 1141 1 116 SER H 1 116 SER QB . . 2.440 2.185 2.074 2.282 . 0 0 "[ . 1 . 2]" 1 1142 1 116 SER H 1 117 GLU H . . 2.680 2.683 2.615 2.700 0.020 20 0 "[ . 1 . 2]" 1 1143 1 116 SER H 1 117 GLU HG2 . . 4.990 4.932 4.588 4.989 . 0 0 "[ . 1 . 2]" 1 1144 1 116 SER H 1 117 GLU QG . . 4.290 4.091 3.950 4.231 . 0 0 "[ . 1 . 2]" 1 1145 1 116 SER H 1 117 GLU HG3 . . 4.990 4.382 4.154 4.794 . 0 0 "[ . 1 . 2]" 1 1146 1 116 SER H 1 119 VAL H . . 4.980 4.563 4.430 4.815 . 0 0 "[ . 1 . 2]" 1 1147 1 116 SER QB 1 117 GLU H . . 3.300 2.968 2.866 3.312 0.012 18 0 "[ . 1 . 2]" 1 1148 1 117 GLU H 1 117 GLU HA . . 2.930 2.917 2.888 2.930 . 0 0 "[ . 1 . 2]" 1 1149 1 117 GLU H 1 117 GLU QB . . 2.760 2.586 2.470 2.611 . 0 0 "[ . 1 . 2]" 1 1150 1 117 GLU H 1 117 GLU HG2 . . 3.070 2.939 2.649 3.029 . 0 0 "[ . 1 . 2]" 1 1151 1 117 GLU H 1 117 GLU HG3 . . 3.070 2.543 2.337 2.955 . 0 0 "[ . 1 . 2]" 1 1152 1 117 GLU H 1 118 GLY H . . 2.610 2.207 2.123 2.355 . 0 0 "[ . 1 . 2]" 1 1153 1 117 GLU H 1 119 VAL H . . 3.540 3.471 3.294 3.545 0.005 6 0 "[ . 1 . 2]" 1 1154 1 117 GLU H 1 119 VAL QG . . 4.150 3.649 3.540 3.750 . 0 0 "[ . 1 . 2]" 1 1155 1 117 GLU HA 1 117 GLU HG2 . . 3.850 2.562 2.518 2.588 . 0 0 "[ . 1 . 2]" 1 1156 1 117 GLU HA 1 117 GLU HG3 . . 3.850 3.579 3.519 3.711 . 0 0 "[ . 1 . 2]" 1 1157 1 117 GLU QB 1 118 GLY H . . 3.480 2.954 2.910 3.099 . 0 0 "[ . 1 . 2]" 1 1158 1 117 GLU QB 1 118 GLY HA3 . . 5.010 4.136 4.114 4.176 . 0 0 "[ . 1 . 2]" 1 1159 1 117 GLU QB 1 119 VAL H . . 3.790 3.695 3.331 3.793 0.003 16 0 "[ . 1 . 2]" 1 1160 1 117 GLU QB 1 119 VAL QG . . 3.740 2.777 2.535 3.466 . 0 0 "[ . 1 . 2]" 1 1161 1 117 GLU HB2 1 118 GLY H . . 4.190 3.029 2.978 3.193 . 0 0 "[ . 1 . 2]" 1 1162 1 117 GLU HB3 1 118 GLY H . . 4.190 4.107 4.006 4.188 . 0 0 "[ . 1 . 2]" 1 1163 1 117 GLU QG 1 118 GLY H . . 4.780 3.945 3.886 4.097 . 0 0 "[ . 1 . 2]" 1 1164 1 117 GLU QG 1 119 VAL QG . . 4.690 3.675 3.485 3.953 . 0 0 "[ . 1 . 2]" 1 1165 1 118 GLY H 1 118 GLY HA2 . . 2.590 2.503 2.482 2.517 . 0 0 "[ . 1 . 2]" 1 1166 1 118 GLY H 1 119 VAL H . . 2.630 1.901 1.893 1.944 . 0 0 "[ . 1 . 2]" 1 1167 1 118 GLY H 1 119 VAL QG . . 3.510 3.269 3.068 3.413 . 0 0 "[ . 1 . 2]" 1 1168 1 118 GLY HA2 1 119 VAL H . . 3.250 2.950 2.908 3.060 . 0 0 "[ . 1 . 2]" 1 1169 1 118 GLY HA2 1 119 VAL QG . . 4.820 4.373 4.286 4.581 . 0 0 "[ . 1 . 2]" 1 1170 1 119 VAL H 1 119 VAL HB . . 2.940 2.685 2.636 2.847 . 0 0 "[ . 1 . 2]" 1 1171 1 119 VAL H 1 119 VAL QG . . 2.520 2.413 2.138 2.527 0.007 3 0 "[ . 1 . 2]" 1 1172 1 119 VAL H 1 120 ASN H . . 4.780 4.418 4.274 4.578 . 0 0 "[ . 1 . 2]" 1 1173 1 119 VAL HA 1 119 VAL MG1 . . 3.350 2.440 2.188 3.185 . 0 0 "[ . 1 . 2]" 1 1174 1 119 VAL HA 1 119 VAL QG . . 2.920 2.082 2.033 2.155 . 0 0 "[ . 1 . 2]" 1 1175 1 119 VAL HA 1 119 VAL MG2 . . 3.350 2.357 2.174 2.430 . 0 0 "[ . 1 . 2]" 1 1176 1 119 VAL HA 1 120 ASN H . . 2.400 2.192 2.141 2.307 . 0 0 "[ . 1 . 2]" 1 1177 1 119 VAL HA 1 120 ASN QB . . 4.570 4.132 3.966 4.501 . 0 0 "[ . 1 . 2]" 1 1178 1 119 VAL QG 1 120 ASN HA . . 4.580 3.960 3.503 4.194 . 0 0 "[ . 1 . 2]" 1 1179 1 119 VAL QG 1 120 ASN QB . . 5.130 3.852 3.582 4.022 . 0 0 "[ . 1 . 2]" 1 1180 1 120 ASN H 1 120 ASN QB . . 2.660 2.288 2.157 2.591 . 0 0 "[ . 1 . 2]" 1 1181 1 120 ASN H 1 121 VAL HA . . 5.420 5.272 4.987 5.422 0.002 3 0 "[ . 1 . 2]" 1 1182 1 120 ASN HA 1 121 VAL H . . 2.400 2.152 2.150 2.153 . 0 0 "[ . 1 . 2]" 1 1183 1 121 VAL H 1 121 VAL MG1 . . 2.950 2.928 2.894 2.958 0.008 9 0 "[ . 1 . 2]" 1 1184 1 121 VAL H 1 121 VAL MG2 . . 2.670 2.103 1.990 2.242 . 0 0 "[ . 1 . 2]" 1 1185 1 121 VAL HA 1 121 VAL MG1 . . 3.460 2.299 2.248 2.326 . 0 0 "[ . 1 . 2]" 1 1186 1 121 VAL HA 1 122 GLN H . . 2.550 2.410 2.406 2.412 . 0 0 "[ . 1 . 2]" 1 1187 1 121 VAL HA 1 122 GLN HB2 . . 4.770 4.390 4.317 4.466 . 0 0 "[ . 1 . 2]" 1 1188 1 121 VAL HA 1 122 GLN HB3 . . 4.520 4.441 4.356 4.530 0.010 20 0 "[ . 1 . 2]" 1 1189 1 121 VAL HB 1 122 GLN H . . 3.130 2.387 2.372 2.398 . 0 0 "[ . 1 . 2]" 1 1190 1 121 VAL HB 1 122 GLN HA . . 4.970 4.454 4.399 4.493 . 0 0 "[ . 1 . 2]" 1 1191 1 121 VAL HB 1 122 GLN HB2 . . 5.500 5.424 5.347 5.491 . 0 0 "[ . 1 . 2]" 1 1192 1 121 VAL HB 1 123 ILE MD . . 5.080 4.260 4.071 4.563 . 0 0 "[ . 1 . 2]" 1 1193 1 121 VAL HB 1 123 ILE QG . . 5.500 5.440 5.328 5.514 0.014 8 0 "[ . 1 . 2]" 1 1194 1 121 VAL MG1 1 122 GLN H . . 4.760 3.741 3.689 3.773 . 0 0 "[ . 1 . 2]" 1 1195 1 121 VAL MG1 1 122 GLN HA . . 5.500 5.446 5.434 5.454 . 0 0 "[ . 1 . 2]" 1 1196 1 121 VAL MG2 1 122 GLN H . . 3.440 3.305 3.232 3.395 . 0 0 "[ . 1 . 2]" 1 1197 1 121 VAL MG2 1 122 GLN HB3 . . 5.500 5.296 5.196 5.403 . 0 0 "[ . 1 . 2]" 1 1198 1 121 VAL MG2 1 123 ILE H . . 4.740 4.523 4.298 4.744 0.004 12 0 "[ . 1 . 2]" 1 1199 1 121 VAL MG2 1 123 ILE HA . . 5.340 4.984 4.810 5.160 . 0 0 "[ . 1 . 2]" 1 1200 1 121 VAL MG2 1 123 ILE MD . . 3.350 3.222 3.045 3.353 0.003 9 0 "[ . 1 . 2]" 1 1201 1 122 GLN H 1 122 GLN HB2 . . 3.530 3.276 3.193 3.361 . 0 0 "[ . 1 . 2]" 1 1202 1 122 GLN H 1 122 GLN HB3 . . 3.100 2.716 2.673 2.780 . 0 0 "[ . 1 . 2]" 1 1203 1 122 GLN H 1 123 ILE HA . . 4.900 4.752 4.707 4.798 . 0 0 "[ . 1 . 2]" 1 1204 1 122 GLN H 1 123 ILE MD . . 5.040 4.479 4.303 4.808 . 0 0 "[ . 1 . 2]" 1 1205 1 122 GLN HA 1 122 GLN QG . . 3.880 2.781 2.379 3.100 . 0 0 "[ . 1 . 2]" 1 1206 1 122 GLN HA 1 123 ILE H . . 2.540 2.185 2.160 2.227 . 0 0 "[ . 1 . 2]" 1 1207 1 122 GLN HA 1 123 ILE HB . . 4.770 4.667 4.649 4.717 . 0 0 "[ . 1 . 2]" 1 1208 1 122 GLN QG 1 123 ILE H . . 3.400 2.674 2.221 3.012 . 0 0 "[ . 1 . 2]" 1 1209 1 122 GLN QG 1 123 ILE HB . . 4.820 4.338 4.077 4.632 . 0 0 "[ . 1 . 2]" 1 1210 1 122 GLN QG 1 124 GLU H . . 4.720 4.025 3.853 4.371 . 0 0 "[ . 1 . 2]" 1 1211 1 123 ILE H 1 123 ILE HB . . 2.650 2.516 2.499 2.558 . 0 0 "[ . 1 . 2]" 1 1212 1 123 ILE HA 1 123 ILE MD . . 3.920 2.096 2.026 2.151 . 0 0 "[ . 1 . 2]" 1 1213 1 123 ILE HA 1 123 ILE MG . . 3.320 2.331 2.288 2.393 . 0 0 "[ . 1 . 2]" 1 1214 1 123 ILE HA 1 124 GLU H . . 2.400 2.170 2.141 2.206 . 0 0 "[ . 1 . 2]" 1 1215 1 123 ILE HB 1 123 ILE MD . . 3.410 3.224 3.219 3.230 . 0 0 "[ . 1 . 2]" 1 1216 1 123 ILE MG 1 124 GLU H . . 4.590 3.020 2.579 3.304 . 0 0 "[ . 1 . 2]" 1 1217 1 123 ILE MG 1 125 LEU H . . 5.090 5.026 4.630 5.094 0.004 2 0 "[ . 1 . 2]" 1 1218 1 123 ILE MG 1 125 LEU HA . . 4.970 4.705 4.592 4.854 . 0 0 "[ . 1 . 2]" 1 1219 1 124 GLU H 1 124 GLU QB . . 2.900 2.276 2.191 2.353 . 0 0 "[ . 1 . 2]" 1 1220 1 124 GLU HA 1 124 GLU QG . . 3.570 2.305 2.075 2.694 . 0 0 "[ . 1 . 2]" 1 1221 1 124 GLU HA 1 125 LEU H . . 2.550 2.404 2.208 2.444 . 0 0 "[ . 1 . 2]" 1 1222 1 124 GLU HA 1 125 LEU HB2 . . 4.230 4.102 3.952 4.184 . 0 0 "[ . 1 . 2]" 1 1223 1 124 GLU QG 1 125 LEU H . . 3.480 3.100 2.132 3.490 0.010 15 0 "[ . 1 . 2]" 1 1224 1 125 LEU H 1 125 LEU HB2 . . 2.740 2.465 2.369 2.577 . 0 0 "[ . 1 . 2]" 1 1225 1 125 LEU H 1 125 LEU QD . . 3.540 3.034 2.804 3.440 . 0 0 "[ . 1 . 2]" 1 1226 1 125 LEU H 1 126 SER QB . . 5.500 5.471 5.386 5.500 0.000 16 0 "[ . 1 . 2]" 1 1227 1 125 LEU H 1 128 ALA MB . . 5.110 4.621 4.108 5.107 . 0 0 "[ . 1 . 2]" 1 1228 1 125 LEU HA 1 125 LEU MD1 . . 4.200 2.228 2.012 2.438 . 0 0 "[ . 1 . 2]" 1 1229 1 125 LEU HA 1 125 LEU QD . . 3.110 2.012 1.917 2.070 . 0 0 "[ . 1 . 2]" 1 1230 1 125 LEU HA 1 125 LEU MD2 . . 4.200 2.329 2.155 2.495 . 0 0 "[ . 1 . 2]" 1 1231 1 125 LEU HA 1 126 SER H . . 2.550 2.386 2.258 2.541 . 0 0 "[ . 1 . 2]" 1 1232 1 125 LEU HA 1 127 GLY H . . 4.640 4.411 4.232 4.626 . 0 0 "[ . 1 . 2]" 1 1233 1 125 LEU HB2 1 125 LEU HG . . 2.550 2.394 2.376 2.424 . 0 0 "[ . 1 . 2]" 1 1234 1 125 LEU HB2 1 126 SER H . . 4.190 3.963 3.693 4.182 . 0 0 "[ . 1 . 2]" 1 1235 1 125 LEU HB2 1 128 ALA MB . . 4.230 2.688 2.252 3.287 . 0 0 "[ . 1 . 2]" 1 1236 1 125 LEU HB3 1 126 SER H . . 3.300 2.665 2.209 3.132 . 0 0 "[ . 1 . 2]" 1 1237 1 125 LEU HB3 1 126 SER HA . . 4.450 4.253 4.144 4.423 . 0 0 "[ . 1 . 2]" 1 1238 1 125 LEU HB3 1 126 SER QB . . 4.960 4.715 4.460 4.960 0.000 20 0 "[ . 1 . 2]" 1 1239 1 125 LEU HB3 1 128 ALA H . . 5.260 2.542 2.101 3.278 . 0 0 "[ . 1 . 2]" 1 1240 1 125 LEU QD 1 126 SER H . . 3.410 2.140 1.893 2.316 . 0 0 "[ . 1 . 2]" 1 1241 1 125 LEU QD 1 126 SER QB . . 3.990 3.786 3.404 3.974 . 0 0 "[ . 1 . 2]" 1 1242 1 125 LEU QD 1 127 GLY H . . 5.440 3.525 2.630 4.172 . 0 0 "[ . 1 . 2]" 1 1243 1 125 LEU QD 1 128 ALA HA . . 4.990 4.832 4.497 4.987 . 0 0 "[ . 1 . 2]" 1 1244 1 125 LEU HG 1 128 ALA MB . . 3.560 2.464 1.975 3.050 . 0 0 "[ . 1 . 2]" 1 1245 1 126 SER H 1 126 SER QB . . 2.810 2.499 2.368 2.707 . 0 0 "[ . 1 . 2]" 1 1246 1 126 SER H 1 127 GLY H . . 3.240 2.897 2.433 3.216 . 0 0 "[ . 1 . 2]" 1 1247 1 126 SER HA 1 127 GLY H . . 2.990 2.762 2.635 2.974 . 0 0 "[ . 1 . 2]" 1 1248 1 126 SER HA 1 128 ALA H . . 5.010 4.586 4.392 4.756 . 0 0 "[ . 1 . 2]" 1 1249 1 126 SER QB 1 127 GLY H . . 4.020 3.956 3.852 4.022 0.002 4 0 "[ . 1 . 2]" 1 1250 1 127 GLY H 1 128 ALA H . . 4.380 1.962 1.905 2.109 . 0 0 "[ . 1 . 2]" 1 1251 1 127 GLY H 1 128 ALA MB . . 5.500 3.590 3.268 4.023 . 0 0 "[ . 1 . 2]" 1 1252 1 127 GLY H 1 129 GLU QB . . 5.390 4.680 3.919 5.348 . 0 0 "[ . 1 . 2]" 1 1253 1 127 GLY H 1 129 GLU QG . . 5.340 4.037 2.714 5.313 . 0 0 "[ . 1 . 2]" 1 1254 1 127 GLY QA 1 128 ALA H . . 2.810 2.745 2.690 2.812 0.002 7 0 "[ . 1 . 2]" 1 1255 1 127 GLY QA 1 128 ALA HA . . 4.740 4.014 3.990 4.071 . 0 0 "[ . 1 . 2]" 1 1256 1 127 GLY QA 1 129 GLU H . . 4.050 3.681 3.272 3.999 . 0 0 "[ . 1 . 2]" 1 1257 1 128 ALA H 1 128 ALA MB . . 2.790 2.297 2.043 2.536 . 0 0 "[ . 1 . 2]" 1 1258 1 128 ALA H 1 129 GLU H . . 3.680 2.806 1.900 3.682 0.002 7 0 "[ . 1 . 2]" 1 1259 1 128 ALA H 1 129 GLU QG . . 5.040 3.994 3.250 4.989 . 0 0 "[ . 1 . 2]" 1 1260 1 128 ALA HA 1 129 GLU QG . . 5.330 4.817 4.316 5.192 . 0 0 "[ . 1 . 2]" 1 1261 1 128 ALA MB 1 129 GLU H . . 3.700 3.285 2.694 3.714 0.014 18 0 "[ . 1 . 2]" 1 1262 1 129 GLU HA 1 130 GLN H . . 3.060 2.463 2.146 2.671 . 0 0 "[ . 1 . 2]" 1 1263 1 130 GLN HA 1 131 GLN H . . 2.850 2.365 2.141 2.639 . 0 0 "[ . 1 . 2]" 1 1264 1 130 GLN HA 1 131 GLN QB . . 4.680 4.169 3.918 4.612 . 0 0 "[ . 1 . 2]" 1 1265 1 130 GLN QB 1 131 GLN H . . 4.200 2.747 1.937 4.002 . 0 0 "[ . 1 . 2]" 1 1266 1 130 GLN QB 1 131 GLN HA . . 4.980 4.239 4.005 4.526 . 0 0 "[ . 1 . 2]" 1 1267 1 130 GLN QB 1 132 PRO QD . . 5.310 4.020 2.175 5.395 0.085 9 0 "[ . 1 . 2]" 1 1268 1 131 GLN H 1 131 GLN QB . . 3.500 2.547 2.136 3.284 . 0 0 "[ . 1 . 2]" 1 1269 1 131 GLN H 1 131 GLN QG . . 4.100 3.602 2.129 4.132 0.032 10 0 "[ . 1 . 2]" 1 1270 1 131 GLN HA 1 132 PRO HA . . 4.730 4.522 4.384 4.667 . 0 0 "[ . 1 . 2]" 1 1271 1 131 GLN HA 1 132 PRO QD . . 4.080 2.067 1.960 2.155 . 0 0 "[ . 1 . 2]" 1 1272 1 131 GLN QB 1 132 PRO QD . . 4.110 3.108 1.935 3.823 . 0 0 "[ . 1 . 2]" 1 1273 1 131 GLN HB2 1 132 PRO QD . . 4.860 3.807 1.966 4.362 . 0 0 "[ . 1 . 2]" 1 1274 1 131 GLN HB3 1 132 PRO QD . . 4.860 3.488 1.991 4.365 . 0 0 "[ . 1 . 2]" 1 1275 1 132 PRO HA 1 133 LYS H . . 2.760 2.567 2.200 2.649 . 0 0 "[ . 1 . 2]" 1 1276 1 132 PRO HB2 1 133 LYS H . . 4.160 2.239 2.046 3.233 . 0 0 "[ . 1 . 2]" 1 1277 1 132 PRO HB2 1 133 LYS QB . . 4.060 3.528 3.145 3.884 . 0 0 "[ . 1 . 2]" 1 1278 1 132 PRO QG 1 133 LYS H . . 5.090 3.876 3.731 4.531 . 0 0 "[ . 1 . 2]" 1 1279 1 132 PRO QG 1 133 LYS HB2 . . 5.500 5.059 3.683 5.512 0.012 1 0 "[ . 1 . 2]" 1 1280 1 132 PRO QG 1 133 LYS QB . . 4.830 4.518 3.548 4.824 . 0 0 "[ . 1 . 2]" 1 1281 1 132 PRO QG 1 133 LYS HB3 . . 5.500 5.152 4.295 5.497 . 0 0 "[ . 1 . 2]" 1 1282 1 133 LYS H 1 133 LYS QB . . 3.620 2.317 2.041 3.328 . 0 0 "[ . 1 . 2]" 1 1283 1 133 LYS QB 1 133 LYS QE . . 4.230 3.086 2.039 3.789 . 0 0 "[ . 1 . 2]" 1 1284 1 133 LYS QD 1 133 LYS QG . . 2.400 2.045 2.020 2.092 . 0 0 "[ . 1 . 2]" 1 stop_ save_
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