NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
553507 | 2ltj | 18484 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ltj 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 814 _Distance_constraint_stats_list.Viol_count 1190 _Distance_constraint_stats_list.Viol_total 1149.942 _Distance_constraint_stats_list.Viol_max 0.436 _Distance_constraint_stats_list.Viol_rms 0.0223 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0032 _Distance_constraint_stats_list.Viol_average_violations_only 0.0460 _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 35 ARG 0.013 0.005 12 0 "[ . 1 . 2 ]" 1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 37 GLU 0.253 0.041 20 0 "[ . 1 . 2 ]" 1 38 LEU 0.968 0.079 2 0 "[ . 1 . 2 ]" 1 39 ILE 0.478 0.054 5 0 "[ . 1 . 2 ]" 1 40 THR 6.292 0.279 6 0 "[ . 1 . 2 ]" 1 41 ARG 1.978 0.106 2 0 "[ . 1 . 2 ]" 1 42 THR 4.997 0.183 15 0 "[ . 1 . 2 ]" 1 43 GLU 0.582 0.116 15 0 "[ . 1 . 2 ]" 1 44 GLU 2.346 0.150 6 0 "[ . 1 . 2 ]" 1 45 ILE 13.072 0.329 2 0 "[ . 1 . 2 ]" 1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 47 PHE 1.324 0.050 2 0 "[ . 1 . 2 ]" 1 48 GLU 0.013 0.006 2 0 "[ . 1 . 2 ]" 1 49 VAL 0.977 0.105 2 0 "[ . 1 . 2 ]" 1 50 ILE 0.211 0.027 2 0 "[ . 1 . 2 ]" 1 51 LYS 0.027 0.015 2 0 "[ . 1 . 2 ]" 1 52 LYS 0.023 0.021 2 0 "[ . 1 . 2 ]" 1 53 GLU 0.000 0.000 11 0 "[ . 1 . 2 ]" 1 54 ASN 0.116 0.026 2 0 "[ . 1 . 2 ]" 1 55 PRO 0.016 0.005 12 0 "[ . 1 . 2 ]" 1 56 ASN 0.002 0.001 4 0 "[ . 1 . 2 ]" 1 57 LEU 0.076 0.008 9 0 "[ . 1 . 2 ]" 1 58 PRO 0.587 0.436 2 0 "[ . 1 . 2 ]" 1 59 ALA 0.589 0.436 2 0 "[ . 1 . 2 ]" 1 60 GLY 0.058 0.020 2 0 "[ . 1 . 2 ]" 1 61 GLN 0.043 0.008 10 0 "[ . 1 . 2 ]" 1 62 GLU 0.003 0.001 15 0 "[ . 1 . 2 ]" 1 63 ASN 0.119 0.017 2 0 "[ . 1 . 2 ]" 1 64 ILE 0.232 0.028 2 0 "[ . 1 . 2 ]" 1 65 ILE 0.166 0.028 2 0 "[ . 1 . 2 ]" 1 66 THR 0.030 0.019 2 0 "[ . 1 . 2 ]" 1 67 ALA 0.038 0.019 11 0 "[ . 1 . 2 ]" 1 68 GLY 1.056 0.105 2 0 "[ . 1 . 2 ]" 1 69 VAL 0.707 0.050 2 0 "[ . 1 . 2 ]" 1 70 LYS 0.001 0.001 17 0 "[ . 1 . 2 ]" 1 71 GLY 0.027 0.011 20 0 "[ . 1 . 2 ]" 1 72 GLU 7.100 0.269 3 0 "[ . 1 . 2 ]" 1 73 ARG 2.859 0.116 15 0 "[ . 1 . 2 ]" 1 74 THR 9.703 0.269 3 0 "[ . 1 . 2 ]" 1 75 HIS 13.311 0.329 2 0 "[ . 1 . 2 ]" 1 76 TYR 10.770 0.295 2 0 "[ . 1 . 2 ]" 1 77 ILE 1.537 0.176 2 0 "[ . 1 . 2 ]" 1 78 SER 0.218 0.016 8 0 "[ . 1 . 2 ]" 1 79 VAL 0.080 0.016 16 0 "[ . 1 . 2 ]" 1 80 LEU 0.050 0.004 20 0 "[ . 1 . 2 ]" 1 81 THR 0.003 0.002 1 0 "[ . 1 . 2 ]" 1 82 GLU 0.005 0.002 11 0 "[ . 1 . 2 ]" 1 83 ASN 0.009 0.004 11 0 "[ . 1 . 2 ]" 1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 85 LYS 0.022 0.004 11 0 "[ . 1 . 2 ]" 1 86 THR 0.010 0.003 20 0 "[ . 1 . 2 ]" 1 87 THR 0.016 0.002 16 0 "[ . 1 . 2 ]" 1 88 GLU 0.011 0.004 20 0 "[ . 1 . 2 ]" 1 89 THR 0.057 0.006 3 0 "[ . 1 . 2 ]" 1 90 VAL 0.017 0.017 2 0 "[ . 1 . 2 ]" 1 91 LEU 0.165 0.040 2 0 "[ . 1 . 2 ]" 1 92 ASP 0.765 0.058 1 0 "[ . 1 . 2 ]" 1 93 SER 10.555 0.295 2 0 "[ . 1 . 2 ]" 1 94 GLN 2.008 0.080 19 0 "[ . 1 . 2 ]" 1 95 VAL 1.071 0.087 11 0 "[ . 1 . 2 ]" 1 96 THR 1.326 0.064 13 0 "[ . 1 . 2 ]" 1 97 LYS 6.711 0.315 2 0 "[ . 1 . 2 ]" 1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]" 1 99 VAL 1.000 0.049 19 0 "[ . 1 . 2 ]" 1 100 ILE 1.634 0.102 20 0 "[ . 1 . 2 ]" 1 101 ASN 0.277 0.067 2 0 "[ . 1 . 2 ]" 1 102 GLN 0.315 0.029 4 0 "[ . 1 . 2 ]" 1 103 VAL 0.001 0.001 17 0 "[ . 1 . 2 ]" 1 104 VAL 0.025 0.019 2 0 "[ . 1 . 2 ]" 1 105 GLU 0.297 0.027 2 0 "[ . 1 . 2 ]" 1 106 VAL 0.023 0.008 10 0 "[ . 1 . 2 ]" 1 107 GLY 0.022 0.003 2 0 "[ . 1 . 2 ]" 1 108 ALA 0.125 0.026 2 0 "[ . 1 . 2 ]" 1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 35 ARG QG 1 78 SER QB 3.000 . 5.000 4.269 1.993 5.005 0.005 12 0 "[ . 1 . 2 ]" 1 2 1 36 PRO QB 1 37 GLU H 3.000 . 5.000 2.573 1.938 3.129 . 0 0 "[ . 1 . 2 ]" 1 3 1 36 PRO QB 1 79 VAL H 4.300 . 6.000 4.407 2.313 5.892 . 0 0 "[ . 1 . 2 ]" 1 4 1 37 GLU H 1 38 LEU H 3.000 . 5.000 4.296 3.820 4.609 . 0 0 "[ . 1 . 2 ]" 1 5 1 37 GLU H 1 78 SER HA 3.000 . 5.000 4.947 4.081 5.016 0.016 8 0 "[ . 1 . 2 ]" 1 6 1 37 GLU H 1 78 SER QB 4.300 . 6.000 5.610 4.922 6.002 0.002 11 0 "[ . 1 . 2 ]" 1 7 1 37 GLU H 1 79 VAL H 3.000 . 5.000 3.951 3.276 4.576 . 0 0 "[ . 1 . 2 ]" 1 8 1 37 GLU HA 1 38 LEU H 2.200 . 3.000 2.249 2.129 2.605 . 0 0 "[ . 1 . 2 ]" 1 9 1 37 GLU HA 1 38 LEU QB 4.300 . 6.000 4.427 4.175 4.632 . 0 0 "[ . 1 . 2 ]" 1 10 1 37 GLU HA 1 39 ILE H 4.300 . 6.000 5.859 5.623 6.041 0.041 20 0 "[ . 1 . 2 ]" 1 11 1 37 GLU HA 1 79 VAL H 4.300 . 6.000 5.807 5.326 6.016 0.016 16 0 "[ . 1 . 2 ]" 1 12 1 37 GLU QB 1 38 LEU H 3.000 . 5.000 3.181 2.031 3.905 . 0 0 "[ . 1 . 2 ]" 1 13 1 37 GLU QG 1 38 LEU H 3.000 . 5.000 3.414 1.993 4.297 . 0 0 "[ . 1 . 2 ]" 1 14 1 37 GLU QG 1 39 ILE QG 3.000 . 5.000 4.016 2.408 4.998 . 0 0 "[ . 1 . 2 ]" 1 15 1 38 LEU H 1 39 ILE H 3.000 . 5.000 4.394 4.266 4.546 . 0 0 "[ . 1 . 2 ]" 1 16 1 38 LEU H 1 79 VAL H 4.300 . 6.000 5.902 5.419 6.008 0.008 4 0 "[ . 1 . 2 ]" 1 17 1 38 LEU HA 1 39 ILE H 3.000 . 3.000 2.134 2.118 2.152 . 0 0 "[ . 1 . 2 ]" 1 18 1 38 LEU QB 1 39 ILE H 3.000 . 5.000 3.315 2.987 3.532 . 0 0 "[ . 1 . 2 ]" 1 19 1 38 LEU QB 1 76 TYR QD 4.300 . 6.000 4.418 4.240 4.558 . 0 0 "[ . 1 . 2 ]" 1 20 1 38 LEU QB 1 76 TYR QE 4.300 . 6.000 6.036 6.011 6.079 0.079 2 0 "[ . 1 . 2 ]" 1 21 1 38 LEU QD 1 39 ILE H 3.000 . 5.000 3.931 2.784 4.501 . 0 0 "[ . 1 . 2 ]" 1 22 1 38 LEU QD 1 76 TYR QB 3.000 . 5.000 3.112 1.994 3.630 . 0 0 "[ . 1 . 2 ]" 1 23 1 38 LEU QD 1 76 TYR QD 3.000 . 5.000 3.571 3.148 3.884 . 0 0 "[ . 1 . 2 ]" 1 24 1 38 LEU QD 1 76 TYR QE 3.000 . 5.000 4.998 4.839 5.012 0.012 6 0 "[ . 1 . 2 ]" 1 25 1 38 LEU QD 1 78 SER QB 3.000 . 5.000 4.559 3.666 5.014 0.014 19 0 "[ . 1 . 2 ]" 1 26 1 39 ILE H 1 40 THR H 3.000 . 5.000 4.446 4.330 4.462 . 0 0 "[ . 1 . 2 ]" 1 27 1 39 ILE H 1 77 ILE H 3.000 . 5.000 3.519 3.096 4.023 . 0 0 "[ . 1 . 2 ]" 1 28 1 39 ILE H 1 77 ILE HB 3.000 . 5.000 4.342 3.453 5.005 0.005 17 0 "[ . 1 . 2 ]" 1 29 1 39 ILE H 1 77 ILE MD 4.300 . 6.000 4.822 4.347 5.258 . 0 0 "[ . 1 . 2 ]" 1 30 1 39 ILE H 1 77 ILE QG 4.300 . 6.000 4.595 3.582 5.003 . 0 0 "[ . 1 . 2 ]" 1 31 1 39 ILE H 1 78 SER QB 4.300 . 6.000 5.335 4.878 5.867 . 0 0 "[ . 1 . 2 ]" 1 32 1 39 ILE HB 1 40 THR H 4.300 . 6.000 2.450 1.929 3.783 . 0 0 "[ . 1 . 2 ]" 1 33 1 39 ILE MD 1 40 THR H 4.300 . 6.000 3.496 2.001 5.044 . 0 0 "[ . 1 . 2 ]" 1 34 1 39 ILE MD 1 40 THR HA 4.300 . 6.000 4.659 2.641 5.614 . 0 0 "[ . 1 . 2 ]" 1 35 1 39 ILE MD 1 41 ARG H 4.300 . 6.000 5.462 3.257 6.054 0.054 5 0 "[ . 1 . 2 ]" 1 36 1 39 ILE MD 1 77 ILE H 4.300 . 6.000 3.484 1.982 5.263 . 0 0 "[ . 1 . 2 ]" 1 37 1 39 ILE QG 1 40 THR H 3.000 . 5.000 2.626 1.764 3.584 0.036 17 0 "[ . 1 . 2 ]" 1 38 1 39 ILE HG12 1 40 THR H 3.000 . 5.000 4.258 1.927 5.018 0.018 2 0 "[ . 1 . 2 ]" 1 39 1 40 THR H 1 41 ARG H 3.000 . 5.000 4.233 3.963 4.519 . 0 0 "[ . 1 . 2 ]" 1 40 1 40 THR H 1 74 THR MG 4.300 . 6.000 4.733 4.458 4.867 . 0 0 "[ . 1 . 2 ]" 1 41 1 40 THR H 1 77 ILE H 4.300 . 6.000 4.095 3.949 4.434 . 0 0 "[ . 1 . 2 ]" 1 42 1 40 THR H 1 77 ILE HB 3.000 . 5.000 5.039 5.011 5.176 0.176 2 0 "[ . 1 . 2 ]" 1 43 1 40 THR HA 1 41 ARG H 3.000 . 5.000 2.176 2.075 2.332 . 0 0 "[ . 1 . 2 ]" 1 44 1 40 THR HA 1 74 THR HG1 4.300 . 6.000 2.986 2.635 3.313 . 0 0 "[ . 1 . 2 ]" 1 45 1 40 THR HA 1 74 THR MG 4.300 . 5.000 2.989 2.637 3.318 . 0 0 "[ . 1 . 2 ]" 1 46 1 40 THR HA 1 75 HIS HD1 4.300 . 6.000 6.220 6.149 6.279 0.279 6 0 "[ . 1 . 2 ]" 1 47 1 40 THR HA 1 76 TYR QB 4.300 . 6.000 3.706 3.534 4.162 . 0 0 "[ . 1 . 2 ]" 1 48 1 40 THR HA 1 76 TYR QD 3.000 . 5.000 2.867 2.396 3.335 . 0 0 "[ . 1 . 2 ]" 1 49 1 40 THR HA 1 76 TYR QE 4.300 . 6.000 4.898 4.380 5.406 . 0 0 "[ . 1 . 2 ]" 1 50 1 40 THR HA 1 77 ILE H 3.000 . 5.000 3.149 2.723 3.497 . 0 0 "[ . 1 . 2 ]" 1 51 1 40 THR HA 1 77 ILE HB 4.300 . 6.000 5.103 4.422 5.604 . 0 0 "[ . 1 . 2 ]" 1 52 1 40 THR HA 1 77 ILE MD 4.300 . 6.000 3.208 2.511 4.567 . 0 0 "[ . 1 . 2 ]" 1 53 1 40 THR HB 1 41 ARG H 3.000 . 5.000 3.034 2.526 3.557 . 0 0 "[ . 1 . 2 ]" 1 54 1 40 THR HB 1 77 ILE H 4.300 . 6.000 5.779 5.400 6.073 0.073 3 0 "[ . 1 . 2 ]" 1 55 1 40 THR HG1 1 41 ARG H 3.000 . 5.000 3.359 3.091 3.649 . 0 0 "[ . 1 . 2 ]" 1 56 1 40 THR HG1 1 74 THR MG 3.000 . 5.000 1.804 1.722 1.901 0.078 11 0 "[ . 1 . 2 ]" 1 57 1 40 THR HG1 1 76 TYR QD 3.000 . 5.000 1.938 1.834 2.047 . 0 0 "[ . 1 . 2 ]" 1 58 1 40 THR HG1 1 76 TYR QE 3.000 . 5.000 2.873 2.664 2.959 . 0 0 "[ . 1 . 2 ]" 1 59 1 40 THR HG1 1 77 ILE H 3.000 . 5.000 4.068 3.621 4.488 . 0 0 "[ . 1 . 2 ]" 1 60 1 40 THR MG 1 41 ARG H 3.000 . 5.000 3.434 3.167 3.734 . 0 0 "[ . 1 . 2 ]" 1 61 1 40 THR MG 1 76 TYR QD 2.200 . 3.000 1.939 1.835 2.049 . 0 0 "[ . 1 . 2 ]" 1 62 1 40 THR MG 1 76 TYR QE 2.200 . 3.000 2.877 2.667 2.963 . 0 0 "[ . 1 . 2 ]" 1 63 1 41 ARG H 1 74 THR HA 3.000 . 5.000 3.809 3.644 4.068 . 0 0 "[ . 1 . 2 ]" 1 64 1 41 ARG H 1 74 THR HB 3.000 . 5.000 5.058 5.033 5.106 0.106 2 0 "[ . 1 . 2 ]" 1 65 1 41 ARG H 1 74 THR MG 3.000 . 5.000 2.425 2.327 2.548 . 0 0 "[ . 1 . 2 ]" 1 66 1 41 ARG H 1 75 HIS H 3.000 . 5.000 2.229 1.936 2.456 . 0 0 "[ . 1 . 2 ]" 1 67 1 41 ARG H 1 75 HIS QB 4.300 . 5.000 3.317 3.187 3.494 . 0 0 "[ . 1 . 2 ]" 1 68 1 41 ARG H 1 75 HIS HD1 4.300 . 6.000 5.041 4.882 5.183 . 0 0 "[ . 1 . 2 ]" 1 69 1 41 ARG H 1 77 ILE MD 3.000 . 5.000 3.207 2.997 4.076 . 0 0 "[ . 1 . 2 ]" 1 70 1 41 ARG H 1 77 ILE HG12 4.300 . 6.000 6.019 5.964 6.036 0.036 18 0 "[ . 1 . 2 ]" 1 71 1 41 ARG H 1 77 ILE QG 4.300 . 6.000 5.022 4.164 5.285 . 0 0 "[ . 1 . 2 ]" 1 72 1 41 ARG HA 1 42 THR H 2.200 . 3.000 2.251 2.150 3.010 0.010 20 0 "[ . 1 . 2 ]" 1 73 1 41 ARG QB 1 42 THR H 3.000 . 5.000 3.578 2.067 3.964 . 0 0 "[ . 1 . 2 ]" 1 74 1 41 ARG QB 1 75 HIS HD1 4.300 . 6.000 5.374 4.701 5.995 . 0 0 "[ . 1 . 2 ]" 1 75 1 41 ARG QB 1 77 ILE MD 3.000 . 5.000 2.526 2.137 3.498 . 0 0 "[ . 1 . 2 ]" 1 76 1 41 ARG QD 1 42 THR H 4.300 . 6.000 4.680 2.731 5.963 . 0 0 "[ . 1 . 2 ]" 1 77 1 41 ARG QD 1 77 ILE MD 3.000 . 5.000 3.402 1.912 5.000 . 13 0 "[ . 1 . 2 ]" 1 78 1 41 ARG QG 1 75 HIS QB 4.300 . 6.000 4.065 2.634 4.522 . 0 0 "[ . 1 . 2 ]" 1 79 1 41 ARG QG 1 75 HIS HD1 4.300 . 6.000 5.796 4.803 6.021 0.021 3 0 "[ . 1 . 2 ]" 1 80 1 42 THR H 1 43 GLU H 3.000 . 5.000 4.468 4.171 4.538 . 0 0 "[ . 1 . 2 ]" 1 81 1 42 THR H 1 74 THR MG 4.300 . 6.000 3.583 3.118 4.702 . 0 0 "[ . 1 . 2 ]" 1 82 1 42 THR H 1 77 ILE MD 4.300 . 6.000 5.627 4.640 6.025 0.025 2 0 "[ . 1 . 2 ]" 1 83 1 42 THR HA 1 43 GLU H 3.000 . 3.000 2.066 2.037 2.152 . 0 0 "[ . 1 . 2 ]" 1 84 1 42 THR HA 1 43 GLU QB 4.300 . 6.000 4.402 3.842 4.649 . 0 0 "[ . 1 . 2 ]" 1 85 1 42 THR HA 1 43 GLU QG 4.300 . 6.000 3.766 3.117 5.741 . 0 0 "[ . 1 . 2 ]" 1 86 1 42 THR HA 1 44 GLU H 4.300 . 6.000 6.106 6.046 6.150 0.150 6 0 "[ . 1 . 2 ]" 1 87 1 42 THR HA 1 73 ARG H 3.000 . 5.000 4.129 3.703 4.646 . 0 0 "[ . 1 . 2 ]" 1 88 1 42 THR HA 1 74 THR HA 4.300 . 5.000 1.943 1.813 2.075 . 0 0 "[ . 1 . 2 ]" 1 89 1 42 THR HA 1 74 THR HB 3.000 . 5.000 4.932 4.777 5.069 0.069 20 0 "[ . 1 . 2 ]" 1 90 1 42 THR HA 1 74 THR MG 3.000 . 5.000 3.771 3.647 3.935 . 0 0 "[ . 1 . 2 ]" 1 91 1 42 THR HA 1 75 HIS HD1 2.200 . 3.000 3.120 3.094 3.183 0.183 15 0 "[ . 1 . 2 ]" 1 92 1 42 THR HB 1 43 GLU H 3.000 . 5.000 3.817 3.015 4.261 . 0 0 "[ . 1 . 2 ]" 1 93 1 42 THR HB 1 72 GLU QG 3.000 . 5.000 3.452 1.986 4.769 . 0 0 "[ . 1 . 2 ]" 1 94 1 42 THR HB 1 74 THR MG 4.300 . 6.000 3.793 2.811 5.088 . 0 0 "[ . 1 . 2 ]" 1 95 1 42 THR HG1 1 43 GLU H 3.000 . 5.000 3.262 2.361 3.943 . 0 0 "[ . 1 . 2 ]" 1 96 1 42 THR HG1 1 72 GLU QG 3.000 . 5.000 2.344 1.799 3.584 0.001 7 0 "[ . 1 . 2 ]" 1 97 1 42 THR HG1 1 74 THR HA 4.300 . 6.000 2.750 1.911 3.314 . 0 0 "[ . 1 . 2 ]" 1 98 1 42 THR HG1 1 74 THR HB 3.000 . 5.000 4.445 3.321 5.034 0.034 18 0 "[ . 1 . 2 ]" 1 99 1 42 THR HG1 1 74 THR MG 3.000 . 5.000 3.316 2.296 3.879 . 0 0 "[ . 1 . 2 ]" 1 100 1 42 THR MG 1 72 GLU QG 3.000 . 5.000 2.781 1.843 4.122 . 0 0 "[ . 1 . 2 ]" 1 101 1 42 THR MG 1 74 THR HA 3.000 . 5.000 3.131 1.914 3.912 . 0 0 "[ . 1 . 2 ]" 1 102 1 42 THR MG 1 74 THR HG1 3.000 . 5.000 3.172 1.948 4.199 . 0 0 "[ . 1 . 2 ]" 1 103 1 43 GLU H 1 44 GLU H 3.000 . 5.000 4.501 4.427 4.518 . 0 0 "[ . 1 . 2 ]" 1 104 1 43 GLU H 1 72 GLU HA 3.000 . 5.000 4.780 4.400 5.014 0.014 17 0 "[ . 1 . 2 ]" 1 105 1 43 GLU H 1 72 GLU QG 4.300 . 5.000 4.117 3.391 4.872 . 0 0 "[ . 1 . 2 ]" 1 106 1 43 GLU H 1 73 ARG H 3.000 . 5.000 3.383 3.179 3.614 . 0 0 "[ . 1 . 2 ]" 1 107 1 43 GLU H 1 73 ARG QB 3.000 . 5.000 4.163 3.661 4.718 . 0 0 "[ . 1 . 2 ]" 1 108 1 43 GLU H 1 73 ARG QG 4.300 . 6.000 4.314 3.114 5.195 . 0 0 "[ . 1 . 2 ]" 1 109 1 43 GLU H 1 74 THR HA 3.000 . 5.000 3.771 3.581 3.900 . 0 0 "[ . 1 . 2 ]" 1 110 1 43 GLU H 1 74 THR MG 4.300 . 6.000 5.416 5.307 5.506 . 0 0 "[ . 1 . 2 ]" 1 111 1 43 GLU H 1 75 HIS HD1 4.300 . 6.000 2.837 2.208 3.242 . 0 0 "[ . 1 . 2 ]" 1 112 1 43 GLU HA 1 44 GLU H 2.200 . 3.000 2.206 2.160 2.240 . 0 0 "[ . 1 . 2 ]" 1 113 1 43 GLU QB 1 44 GLU H 3.000 . 5.000 2.997 2.714 3.706 . 0 0 "[ . 1 . 2 ]" 1 114 1 43 GLU QB 1 73 ARG QB 3.000 . 5.000 4.665 3.889 5.025 0.025 18 0 "[ . 1 . 2 ]" 1 115 1 43 GLU QB 1 75 HIS HD1 4.300 . 6.000 3.766 2.158 4.642 . 0 0 "[ . 1 . 2 ]" 1 116 1 43 GLU QG 1 45 ILE MD 3.000 . 5.000 3.227 1.970 3.829 . 0 0 "[ . 1 . 2 ]" 1 117 1 43 GLU QG 1 73 ARG H 4.300 . 6.000 4.604 3.562 4.962 . 0 0 "[ . 1 . 2 ]" 1 118 1 43 GLU QG 1 73 ARG QB 3.000 . 5.000 4.400 3.111 5.116 0.116 15 0 "[ . 1 . 2 ]" 1 119 1 43 GLU QG 1 73 ARG QG 3.000 . 5.000 4.348 3.206 5.008 0.008 2 0 "[ . 1 . 2 ]" 1 120 1 43 GLU QG 1 75 HIS HD1 4.300 . 6.000 2.866 1.940 4.072 . 0 0 "[ . 1 . 2 ]" 1 121 1 44 GLU H 1 45 ILE H 4.300 . 5.000 4.208 4.136 4.336 . 0 0 "[ . 1 . 2 ]" 1 122 1 44 GLU H 1 72 GLU HA 4.300 . 6.000 5.746 5.383 6.012 0.012 5 0 "[ . 1 . 2 ]" 1 123 1 44 GLU H 1 73 ARG H 4.300 . 6.000 5.956 5.870 6.018 0.018 17 0 "[ . 1 . 2 ]" 1 124 1 44 GLU HA 1 45 ILE H 3.000 . 5.000 2.201 2.154 2.233 . 0 0 "[ . 1 . 2 ]" 1 125 1 44 GLU QB 1 45 ILE H 4.300 . 6.000 3.771 3.599 3.992 . 0 0 "[ . 1 . 2 ]" 1 126 1 44 GLU QG 1 45 ILE H 4.300 . 6.000 4.205 3.559 4.984 . 0 0 "[ . 1 . 2 ]" 1 127 1 45 ILE H 1 46 PRO QD 4.300 . 6.000 3.882 3.552 4.109 . 0 0 "[ . 1 . 2 ]" 1 128 1 45 ILE H 1 71 GLY H 3.000 . 5.000 4.877 4.598 5.011 0.011 20 0 "[ . 1 . 2 ]" 1 129 1 45 ILE H 1 72 GLU H 4.300 . 6.000 4.913 4.673 5.103 . 0 0 "[ . 1 . 2 ]" 1 130 1 45 ILE H 1 72 GLU HA 3.000 . 5.000 2.736 2.529 2.944 . 0 0 "[ . 1 . 2 ]" 1 131 1 45 ILE H 1 73 ARG H 3.000 . 5.000 3.886 3.539 4.303 . 0 0 "[ . 1 . 2 ]" 1 132 1 45 ILE HA 1 46 PRO QD 4.300 . 5.000 1.981 1.846 2.047 . 0 0 "[ . 1 . 2 ]" 1 133 1 45 ILE HB 1 71 GLY H 3.000 . 5.000 4.084 3.652 4.405 . 0 0 "[ . 1 . 2 ]" 1 134 1 45 ILE HB 1 71 GLY QA 4.300 . 6.000 4.082 3.628 4.273 . 0 0 "[ . 1 . 2 ]" 1 135 1 45 ILE HB 1 72 GLU H 4.300 . 6.000 4.014 3.826 4.197 . 0 0 "[ . 1 . 2 ]" 1 136 1 45 ILE MD 1 71 GLY H 4.300 . 6.000 5.304 4.821 5.644 . 0 0 "[ . 1 . 2 ]" 1 137 1 45 ILE MD 1 71 GLY QA 3.000 . 5.000 4.560 4.213 4.822 . 0 0 "[ . 1 . 2 ]" 1 138 1 45 ILE MD 1 72 GLU H 3.000 . 5.000 3.709 3.421 3.964 . 0 0 "[ . 1 . 2 ]" 1 139 1 45 ILE MD 1 73 ARG H 4.300 . 6.000 1.766 1.721 1.823 0.079 11 0 "[ . 1 . 2 ]" 1 140 1 45 ILE MD 1 73 ARG HA 4.300 . 6.000 3.402 3.255 3.641 . 0 0 "[ . 1 . 2 ]" 1 141 1 45 ILE MD 1 73 ARG QB 3.000 . 5.000 1.735 1.685 1.788 0.115 2 0 "[ . 1 . 2 ]" 1 142 1 45 ILE MD 1 73 ARG QD 3.000 . 5.000 3.105 1.841 3.792 . 0 0 "[ . 1 . 2 ]" 1 143 1 45 ILE MD 1 75 HIS QB 3.000 . 5.000 5.260 5.208 5.329 0.329 2 0 "[ . 1 . 2 ]" 1 144 1 45 ILE MD 1 97 LYS H 4.300 . 6.000 6.260 6.208 6.315 0.315 2 0 "[ . 1 . 2 ]" 1 145 1 45 ILE MD 1 99 VAL H 4.300 . 6.000 4.953 4.456 5.349 . 0 0 "[ . 1 . 2 ]" 1 146 1 45 ILE QG 1 46 PRO QD 3.000 . 5.000 2.866 2.545 3.154 . 0 0 "[ . 1 . 2 ]" 1 147 1 45 ILE QG 1 47 PHE H 4.300 . 6.000 5.042 4.891 5.227 . 0 0 "[ . 1 . 2 ]" 1 148 1 45 ILE QG 1 71 GLY H 3.000 . 5.000 4.033 3.841 4.242 . 0 0 "[ . 1 . 2 ]" 1 149 1 45 ILE QG 1 71 GLY QA 4.300 . 6.000 4.349 3.945 4.458 . 0 0 "[ . 1 . 2 ]" 1 150 1 45 ILE QG 1 72 GLU H 4.300 . 6.000 4.617 4.437 4.757 . 0 0 "[ . 1 . 2 ]" 1 151 1 45 ILE QG 1 73 ARG H 4.300 . 6.000 3.498 3.209 3.715 . 0 0 "[ . 1 . 2 ]" 1 152 1 45 ILE QG 1 99 VAL H 4.300 . 6.000 3.971 3.488 4.297 . 0 0 "[ . 1 . 2 ]" 1 153 1 45 ILE HG12 1 73 ARG H 4.300 . 6.000 4.358 4.278 4.453 . 0 0 "[ . 1 . 2 ]" 1 154 1 45 ILE MG 1 46 PRO QD 3.000 . 5.000 2.969 2.585 3.334 . 0 0 "[ . 1 . 2 ]" 1 155 1 45 ILE MG 1 46 PRO QG 3.000 . 5.000 4.305 4.088 4.609 . 0 0 "[ . 1 . 2 ]" 1 156 1 45 ILE MG 1 71 GLY H 3.000 . 5.000 4.099 3.894 4.333 . 0 0 "[ . 1 . 2 ]" 1 157 1 45 ILE MG 1 71 GLY QA 3.000 . 5.000 4.492 4.048 4.606 . 0 0 "[ . 1 . 2 ]" 1 158 1 46 PRO HA 1 47 PHE H 3.000 . 3.000 2.280 2.178 2.349 . 0 0 "[ . 1 . 2 ]" 1 159 1 46 PRO HA 1 47 PHE QD 3.000 . 5.000 3.726 3.499 3.993 . 0 0 "[ . 1 . 2 ]" 1 160 1 46 PRO HA 1 47 PHE QE 4.300 . 6.000 5.305 5.069 5.613 . 0 0 "[ . 1 . 2 ]" 1 161 1 46 PRO HA 1 70 LYS HA 3.000 . 5.000 2.475 2.070 2.875 . 0 0 "[ . 1 . 2 ]" 1 162 1 46 PRO HA 1 70 LYS QG 3.000 . 5.000 2.655 1.949 4.312 . 0 0 "[ . 1 . 2 ]" 1 163 1 46 PRO QB 1 47 PHE H 3.000 . 5.000 2.778 2.612 2.994 . 0 0 "[ . 1 . 2 ]" 1 164 1 46 PRO QG 1 47 PHE H 4.300 . 6.000 4.320 4.155 4.662 . 0 0 "[ . 1 . 2 ]" 1 165 1 47 PHE H 1 48 GLU H 3.000 . 5.000 4.475 4.453 4.533 . 0 0 "[ . 1 . 2 ]" 1 166 1 47 PHE H 1 70 LYS HA 3.000 . 5.000 2.727 2.450 3.027 . 0 0 "[ . 1 . 2 ]" 1 167 1 47 PHE H 1 71 GLY H 3.000 . 5.000 4.287 4.034 4.590 . 0 0 "[ . 1 . 2 ]" 1 168 1 47 PHE H 1 99 VAL HB 3.000 . 5.000 5.024 4.986 5.049 0.049 19 0 "[ . 1 . 2 ]" 1 169 1 47 PHE H 1 99 VAL MG1 3.000 . 5.000 4.645 4.614 4.693 . 0 0 "[ . 1 . 2 ]" 1 170 1 47 PHE H 1 99 VAL QG 3.000 . 5.000 2.535 2.477 2.686 . 0 0 "[ . 1 . 2 ]" 1 171 1 47 PHE H 1 99 VAL MG2 3.000 . 5.000 2.546 2.487 2.702 . 0 0 "[ . 1 . 2 ]" 1 172 1 47 PHE H 1 100 ILE H 4.300 . 6.000 6.001 5.874 6.021 0.021 2 0 "[ . 1 . 2 ]" 1 173 1 47 PHE HA 1 48 GLU H 2.200 . 3.000 2.632 2.519 2.662 . 0 0 "[ . 1 . 2 ]" 1 174 1 47 PHE HA 1 99 VAL QG 3.000 . 5.000 1.871 1.793 1.904 0.007 2 0 "[ . 1 . 2 ]" 1 175 1 47 PHE QB 1 48 GLU H 4.300 . 5.000 2.042 1.974 2.189 . 0 0 "[ . 1 . 2 ]" 1 176 1 47 PHE QB 1 99 VAL MG1 4.300 . 6.000 3.481 3.372 3.721 . 0 0 "[ . 1 . 2 ]" 1 177 1 47 PHE QB 1 99 VAL QG 3.000 . 5.000 1.814 1.786 1.885 0.014 3 0 "[ . 1 . 2 ]" 1 178 1 47 PHE QB 1 102 GLN H 4.300 . 6.000 3.251 2.815 3.754 . 0 0 "[ . 1 . 2 ]" 1 179 1 47 PHE QD 1 49 VAL H 4.300 . 6.000 3.063 2.727 3.383 . 0 0 "[ . 1 . 2 ]" 1 180 1 47 PHE QD 1 68 GLY QA 3.000 . 5.000 2.707 2.447 2.966 . 0 0 "[ . 1 . 2 ]" 1 181 1 47 PHE QD 1 69 VAL HA 2.200 . 3.000 3.006 2.827 3.050 0.050 2 0 "[ . 1 . 2 ]" 1 182 1 47 PHE QD 1 70 LYS H 3.000 . 5.000 2.614 2.438 2.831 . 0 0 "[ . 1 . 2 ]" 1 183 1 47 PHE QD 1 70 LYS HA 2.200 . 3.000 2.561 2.410 2.773 . 0 0 "[ . 1 . 2 ]" 1 184 1 47 PHE QD 1 70 LYS QD 3.000 . 5.000 3.858 2.105 4.822 . 0 0 "[ . 1 . 2 ]" 1 185 1 47 PHE QD 1 70 LYS QE 4.300 . 6.000 4.213 2.796 5.369 . 0 0 "[ . 1 . 2 ]" 1 186 1 47 PHE QD 1 70 LYS QG 3.000 . 5.000 2.813 2.107 4.418 . 0 0 "[ . 1 . 2 ]" 1 187 1 47 PHE QD 1 99 VAL HA 4.300 . 6.000 5.199 4.968 5.521 . 0 0 "[ . 1 . 2 ]" 1 188 1 47 PHE QD 1 102 GLN H 3.000 . 5.000 2.464 2.119 2.872 . 0 0 "[ . 1 . 2 ]" 1 189 1 47 PHE QD 1 102 GLN HA 3.000 . 5.000 4.863 4.483 5.013 0.013 7 0 "[ . 1 . 2 ]" 1 190 1 47 PHE QD 1 102 GLN QB 3.000 . 5.000 3.071 2.688 3.332 . 0 0 "[ . 1 . 2 ]" 1 191 1 47 PHE QD 1 102 GLN QG 3.000 . 5.000 4.928 4.072 5.029 0.029 4 0 "[ . 1 . 2 ]" 1 192 1 47 PHE QE 1 68 GLY QA 3.000 . 5.000 2.812 2.512 3.111 . 0 0 "[ . 1 . 2 ]" 1 193 1 47 PHE QE 1 69 VAL HA 2.200 . 3.000 2.707 2.483 3.008 0.008 12 0 "[ . 1 . 2 ]" 1 194 1 47 PHE QE 1 70 LYS HA 3.000 . 5.000 4.479 4.342 4.803 . 0 0 "[ . 1 . 2 ]" 1 195 1 47 PHE QE 1 70 LYS QD 3.000 . 5.000 3.550 1.987 4.718 . 0 0 "[ . 1 . 2 ]" 1 196 1 47 PHE QE 1 70 LYS QE 3.000 . 5.000 3.421 2.414 4.458 . 0 0 "[ . 1 . 2 ]" 1 197 1 47 PHE QE 1 70 LYS QG 4.300 . 6.000 3.142 2.246 5.510 . 0 0 "[ . 1 . 2 ]" 1 198 1 47 PHE QE 1 102 GLN H 4.300 . 6.000 3.705 2.833 4.323 . 0 0 "[ . 1 . 2 ]" 1 199 1 47 PHE QE 1 102 GLN HA 4.300 . 6.000 4.990 4.558 5.444 . 0 0 "[ . 1 . 2 ]" 1 200 1 47 PHE QE 1 102 GLN QB 3.000 . 5.000 2.545 2.045 3.305 . 0 0 "[ . 1 . 2 ]" 1 201 1 47 PHE QE 1 102 GLN QG 4.300 . 5.000 3.963 2.986 4.495 . 0 0 "[ . 1 . 2 ]" 1 202 1 47 PHE HZ 1 68 GLY QA 4.300 . 6.000 3.682 3.251 4.221 . 0 0 "[ . 1 . 2 ]" 1 203 1 47 PHE HZ 1 69 VAL HA 4.300 . 6.000 4.434 3.879 4.940 . 0 0 "[ . 1 . 2 ]" 1 204 1 47 PHE HZ 1 70 LYS H 4.300 . 6.000 5.305 5.047 5.756 . 0 0 "[ . 1 . 2 ]" 1 205 1 47 PHE HZ 1 70 LYS QE 4.300 . 6.000 4.972 3.928 6.001 0.001 17 0 "[ . 1 . 2 ]" 1 206 1 47 PHE HZ 1 102 GLN QB 4.300 . 6.000 4.168 3.479 5.235 . 0 0 "[ . 1 . 2 ]" 1 207 1 47 PHE HZ 1 102 GLN QG 4.300 . 6.000 5.103 3.927 6.002 0.002 10 0 "[ . 1 . 2 ]" 1 208 1 48 GLU H 1 49 VAL H 3.000 . 5.000 3.923 3.781 4.053 . 0 0 "[ . 1 . 2 ]" 1 209 1 48 GLU H 1 50 ILE MD 4.300 . 5.000 4.660 4.088 5.006 0.006 2 0 "[ . 1 . 2 ]" 1 210 1 48 GLU H 1 99 VAL MG1 3.000 . 5.000 4.719 4.628 4.750 . 0 0 "[ . 1 . 2 ]" 1 211 1 48 GLU H 1 101 ASN QB 4.300 . 6.000 3.734 3.233 4.031 . 0 0 "[ . 1 . 2 ]" 1 212 1 48 GLU QB 1 49 VAL H 3.000 . 5.000 3.690 3.310 3.918 . 0 0 "[ . 1 . 2 ]" 1 213 1 48 GLU QB 1 101 ASN QD 4.300 . 6.000 3.292 2.136 4.718 . 0 0 "[ . 1 . 2 ]" 1 214 1 48 GLU QB 1 101 ASN HD22 4.300 . 6.000 3.531 2.411 4.970 . 0 0 "[ . 1 . 2 ]" 1 215 1 49 VAL H 1 50 ILE H 3.000 . 5.000 4.614 4.512 4.632 . 0 0 "[ . 1 . 2 ]" 1 216 1 49 VAL H 1 68 GLY QA 3.000 . 5.000 5.047 5.016 5.105 0.105 2 0 "[ . 1 . 2 ]" 1 217 1 49 VAL HA 1 50 ILE H 3.000 . 5.000 2.246 2.142 2.306 . 0 0 "[ . 1 . 2 ]" 1 218 1 49 VAL HA 1 102 GLN H 3.000 . 5.000 2.919 2.321 3.223 . 0 0 "[ . 1 . 2 ]" 1 219 1 49 VAL QG 1 50 ILE H 3.000 . 5.000 2.123 1.942 2.698 . 0 0 "[ . 1 . 2 ]" 1 220 1 49 VAL MG1 1 50 ILE H 3.000 . 5.000 2.743 1.947 4.024 . 0 0 "[ . 1 . 2 ]" 1 221 1 49 VAL MG1 1 102 GLN H 4.300 . 6.000 4.460 3.886 5.216 . 0 0 "[ . 1 . 2 ]" 1 222 1 49 VAL MG2 1 102 GLN H 3.000 . 5.000 3.558 2.832 4.376 . 0 0 "[ . 1 . 2 ]" 1 223 1 50 ILE H 1 51 LYS H 3.000 . 5.000 4.476 4.414 4.538 . 0 0 "[ . 1 . 2 ]" 1 224 1 50 ILE H 1 101 ASN QB 4.300 . 6.000 4.979 4.536 5.462 . 0 0 "[ . 1 . 2 ]" 1 225 1 50 ILE H 1 102 GLN H 3.000 . 5.000 4.693 3.965 5.001 0.001 21 0 "[ . 1 . 2 ]" 1 226 1 50 ILE H 1 103 VAL H 4.300 . 6.000 5.443 4.773 5.948 . 0 0 "[ . 1 . 2 ]" 1 227 1 50 ILE H 1 103 VAL HA 3.000 . 5.000 3.886 3.067 4.439 . 0 0 "[ . 1 . 2 ]" 1 228 1 50 ILE H 1 103 VAL QG 4.300 . 6.000 4.640 3.891 5.169 . 0 0 "[ . 1 . 2 ]" 1 229 1 50 ILE H 1 104 VAL H 3.000 . 5.000 3.748 3.340 4.364 . 0 0 "[ . 1 . 2 ]" 1 230 1 50 ILE HA 1 51 LYS H 2.200 . 3.000 2.321 2.198 2.330 . 0 0 "[ . 1 . 2 ]" 1 231 1 50 ILE HA 1 51 LYS HA 4.300 . 6.000 4.407 4.379 4.445 . 0 0 "[ . 1 . 2 ]" 1 232 1 50 ILE HA 1 51 LYS QB 3.000 . 5.000 4.297 3.897 4.517 . 0 0 "[ . 1 . 2 ]" 1 233 1 50 ILE HA 1 51 LYS QD 4.300 . 6.000 4.786 2.761 5.958 . 0 0 "[ . 1 . 2 ]" 1 234 1 50 ILE HB 1 51 LYS H 4.300 . 6.000 3.648 3.569 3.910 . 0 0 "[ . 1 . 2 ]" 1 235 1 50 ILE HB 1 103 VAL HA 4.300 . 6.000 4.046 2.913 4.708 . 0 0 "[ . 1 . 2 ]" 1 236 1 50 ILE HB 1 104 VAL H 4.300 . 5.000 4.199 3.559 4.769 . 0 0 "[ . 1 . 2 ]" 1 237 1 50 ILE MD 1 51 LYS H 3.000 . 5.000 4.330 3.509 4.902 . 0 0 "[ . 1 . 2 ]" 1 238 1 50 ILE MD 1 101 ASN QB 3.000 . 5.000 3.602 2.210 5.001 0.001 16 0 "[ . 1 . 2 ]" 1 239 1 50 ILE MD 1 101 ASN QD 3.000 . 5.000 3.129 2.221 4.347 . 0 0 "[ . 1 . 2 ]" 1 240 1 50 ILE MD 1 101 ASN HD22 3.000 . 5.000 4.226 3.420 5.001 0.001 20 0 "[ . 1 . 2 ]" 1 241 1 50 ILE QG 1 51 LYS H 4.300 . 5.000 1.961 1.903 2.355 . 0 0 "[ . 1 . 2 ]" 1 242 1 50 ILE QG 1 51 LYS HA 4.300 . 6.000 3.703 3.560 3.832 . 0 0 "[ . 1 . 2 ]" 1 243 1 50 ILE QG 1 52 LYS H 4.300 . 6.000 3.702 3.460 3.996 . 0 0 "[ . 1 . 2 ]" 1 244 1 50 ILE QG 1 52 LYS QE 3.000 . 5.000 3.545 2.348 4.394 . 0 0 "[ . 1 . 2 ]" 1 245 1 50 ILE QG 1 101 ASN QB 4.300 . 6.000 4.076 3.031 4.979 . 0 0 "[ . 1 . 2 ]" 1 246 1 50 ILE QG 1 101 ASN HD22 4.300 . 6.000 4.921 4.334 5.162 . 0 0 "[ . 1 . 2 ]" 1 247 1 50 ILE QG 1 105 GLU HA 4.300 . 6.000 6.008 6.003 6.027 0.027 2 0 "[ . 1 . 2 ]" 1 248 1 50 ILE HG12 1 51 LYS H 3.000 . 5.000 4.773 4.284 5.015 0.015 2 0 "[ . 1 . 2 ]" 1 249 1 50 ILE HG12 1 101 ASN QB 4.300 . 6.000 4.694 3.260 6.001 0.001 18 0 "[ . 1 . 2 ]" 1 250 1 50 ILE HG12 1 101 ASN QD 4.300 . 6.000 4.322 3.116 4.783 . 0 0 "[ . 1 . 2 ]" 1 251 1 50 ILE HG12 1 101 ASN HD22 4.300 . 6.000 5.651 4.809 6.001 0.001 5 0 "[ . 1 . 2 ]" 1 252 1 50 ILE HG13 1 101 ASN QB 4.300 . 6.000 4.834 3.304 5.746 . 0 0 "[ . 1 . 2 ]" 1 253 1 50 ILE HG13 1 101 ASN QD 4.300 . 6.000 4.385 3.523 4.834 . 0 0 "[ . 1 . 2 ]" 1 254 1 50 ILE HG13 1 101 ASN HD22 4.300 . 6.000 5.673 5.089 5.999 . 0 0 "[ . 1 . 2 ]" 1 255 1 50 ILE MG 1 52 LYS QE 3.000 . 5.000 3.612 2.356 4.554 . 0 0 "[ . 1 . 2 ]" 1 256 1 51 LYS H 1 52 LYS H 3.000 . 5.000 4.065 3.920 4.253 . 0 0 "[ . 1 . 2 ]" 1 257 1 51 LYS HA 1 52 LYS H 3.000 . 5.000 2.179 2.153 2.187 . 0 0 "[ . 1 . 2 ]" 1 258 1 51 LYS HA 1 52 LYS HA 4.300 . 6.000 4.417 4.395 4.437 . 0 0 "[ . 1 . 2 ]" 1 259 1 51 LYS HA 1 105 GLU HA 4.300 . 5.000 4.728 4.203 5.002 0.002 3 0 "[ . 1 . 2 ]" 1 260 1 51 LYS QB 1 52 LYS H 4.300 . 6.000 3.646 3.504 3.953 . 0 0 "[ . 1 . 2 ]" 1 261 1 51 LYS QG 1 52 LYS H 3.000 . 5.000 4.283 3.426 4.869 . 0 0 "[ . 1 . 2 ]" 1 262 1 52 LYS H 1 53 GLU H 3.000 . 5.000 4.515 4.218 4.594 . 0 0 "[ . 1 . 2 ]" 1 263 1 52 LYS H 1 105 GLU HA 3.000 . 5.000 3.141 2.662 3.592 . 0 0 "[ . 1 . 2 ]" 1 264 1 52 LYS HA 1 53 GLU H 3.000 . 3.000 2.327 2.140 2.496 . 0 0 "[ . 1 . 2 ]" 1 265 1 52 LYS HA 1 105 GLU HA 4.300 . 6.000 4.959 4.414 5.706 . 0 0 "[ . 1 . 2 ]" 1 266 1 52 LYS QB 1 53 GLU H 4.300 . 5.000 2.994 2.235 3.619 . 0 0 "[ . 1 . 2 ]" 1 267 1 52 LYS QB 1 105 GLU HA 3.000 . 5.000 2.794 1.973 4.339 . 0 0 "[ . 1 . 2 ]" 1 268 1 52 LYS QB 1 105 GLU QG 3.000 . 5.000 3.530 2.426 5.002 0.002 8 0 "[ . 1 . 2 ]" 1 269 1 52 LYS QB 1 106 VAL H 4.300 . 6.000 3.782 3.134 4.856 . 0 0 "[ . 1 . 2 ]" 1 270 1 52 LYS QD 1 53 GLU H 4.300 . 6.000 3.956 2.277 5.285 . 0 0 "[ . 1 . 2 ]" 1 271 1 52 LYS QD 1 105 GLU HA 4.300 . 6.000 4.942 3.102 6.000 . 9 0 "[ . 1 . 2 ]" 1 272 1 52 LYS QG 1 53 GLU H 3.000 . 5.000 3.166 1.921 4.364 . 0 0 "[ . 1 . 2 ]" 1 273 1 52 LYS QG 1 105 GLU HA 4.300 . 6.000 4.004 2.120 4.871 . 0 0 "[ . 1 . 2 ]" 1 274 1 52 LYS QG 1 105 GLU QG 3.000 . 5.000 4.178 2.855 5.021 0.021 2 0 "[ . 1 . 2 ]" 1 275 1 52 LYS QG 1 106 VAL H 4.300 . 6.000 4.819 3.078 5.675 . 0 0 "[ . 1 . 2 ]" 1 276 1 53 GLU H 1 105 GLU HA 4.300 . 6.000 5.341 4.667 5.999 . 0 0 "[ . 1 . 2 ]" 1 277 1 53 GLU H 1 106 VAL H 4.300 . 6.000 4.900 4.252 5.786 . 0 0 "[ . 1 . 2 ]" 1 278 1 53 GLU HA 1 54 ASN H 3.000 . 3.000 2.165 2.140 2.207 . 0 0 "[ . 1 . 2 ]" 1 279 1 53 GLU HA 1 106 VAL H 3.000 . 5.000 3.523 2.219 4.623 . 0 0 "[ . 1 . 2 ]" 1 280 1 53 GLU QB 1 54 ASN H 4.300 . 6.000 3.346 2.926 3.735 . 0 0 "[ . 1 . 2 ]" 1 281 1 53 GLU QB 1 108 ALA MB 3.000 . 5.000 2.850 1.823 4.033 . 0 0 "[ . 1 . 2 ]" 1 282 1 53 GLU QG 1 54 ASN H 4.300 . 6.000 4.100 2.826 4.614 . 0 0 "[ . 1 . 2 ]" 1 283 1 53 GLU QG 1 108 ALA MB 3.000 . 5.000 3.481 1.873 5.000 0.000 11 0 "[ . 1 . 2 ]" 1 284 1 54 ASN H 1 55 PRO QD 4.300 . 5.000 3.972 3.619 4.378 . 0 0 "[ . 1 . 2 ]" 1 285 1 54 ASN H 1 56 ASN H 4.300 . 6.000 5.352 4.857 5.605 . 0 0 "[ . 1 . 2 ]" 1 286 1 54 ASN H 1 57 LEU H 4.300 . 6.000 5.243 4.896 6.008 0.008 9 0 "[ . 1 . 2 ]" 1 287 1 54 ASN H 1 57 LEU QD 4.300 . 6.000 3.759 2.810 4.802 . 0 0 "[ . 1 . 2 ]" 1 288 1 54 ASN H 1 105 GLU HA 3.000 . 5.000 4.920 4.238 5.005 0.005 11 0 "[ . 1 . 2 ]" 1 289 1 54 ASN H 1 106 VAL H 3.000 . 5.000 3.804 3.130 4.185 . 0 0 "[ . 1 . 2 ]" 1 290 1 54 ASN H 1 107 GLY QA 4.300 . 6.000 2.926 2.018 3.445 . 0 0 "[ . 1 . 2 ]" 1 291 1 54 ASN H 1 108 ALA H 3.000 . 5.000 3.264 2.171 3.913 . 0 0 "[ . 1 . 2 ]" 1 292 1 54 ASN H 1 108 ALA MB 4.300 . 6.000 3.887 3.004 5.141 . 0 0 "[ . 1 . 2 ]" 1 293 1 54 ASN HA 1 55 PRO QB 4.300 . 6.000 4.640 4.509 4.707 . 0 0 "[ . 1 . 2 ]" 1 294 1 54 ASN HA 1 55 PRO QD 3.000 . 5.000 1.944 1.907 2.032 . 0 0 "[ . 1 . 2 ]" 1 295 1 54 ASN HA 1 55 PRO QG 3.000 . 5.000 3.854 3.814 3.949 . 0 0 "[ . 1 . 2 ]" 1 296 1 54 ASN HA 1 56 ASN H 4.300 . 5.000 3.754 3.352 5.001 0.001 17 0 "[ . 1 . 2 ]" 1 297 1 54 ASN HA 1 57 LEU QD 4.300 . 5.000 4.462 3.843 5.007 0.007 9 0 "[ . 1 . 2 ]" 1 298 1 54 ASN HA 1 108 ALA H 3.000 . 5.000 4.837 4.105 5.026 0.026 2 0 "[ . 1 . 2 ]" 1 299 1 54 ASN QB 1 56 ASN H 3.000 . 5.000 3.480 2.546 4.312 . 0 0 "[ . 1 . 2 ]" 1 300 1 54 ASN QB 1 57 LEU H 4.300 . 6.000 3.189 2.419 4.766 . 0 0 "[ . 1 . 2 ]" 1 301 1 54 ASN QB 1 57 LEU QD 3.000 . 5.000 2.276 1.798 3.090 0.002 2 0 "[ . 1 . 2 ]" 1 302 1 54 ASN QB 1 57 LEU HG 4.300 . 6.000 3.590 2.134 6.002 0.002 11 0 "[ . 1 . 2 ]" 1 303 1 54 ASN QB 1 105 GLU HA 4.300 . 6.000 4.093 3.347 5.532 . 0 0 "[ . 1 . 2 ]" 1 304 1 54 ASN QB 1 105 GLU QB 3.000 . 5.000 2.410 1.848 4.132 . 0 0 "[ . 1 . 2 ]" 1 305 1 54 ASN QB 1 106 VAL H 4.300 . 5.000 4.069 3.428 5.001 0.001 11 0 "[ . 1 . 2 ]" 1 306 1 54 ASN QB 1 108 ALA H 4.300 . 6.000 4.358 3.693 5.024 . 0 0 "[ . 1 . 2 ]" 1 307 1 54 ASN QD 1 57 LEU QD 3.000 . 5.000 2.547 1.794 4.250 0.006 9 0 "[ . 1 . 2 ]" 1 308 1 54 ASN QD 1 57 LEU HG 4.300 . 6.000 3.729 2.078 4.872 . 0 0 "[ . 1 . 2 ]" 1 309 1 54 ASN QD 1 105 GLU QB 4.300 . 5.000 2.917 1.843 3.951 . 0 0 "[ . 1 . 2 ]" 1 310 1 54 ASN HD22 1 56 ASN H 4.300 . 6.000 4.836 2.731 5.947 . 0 0 "[ . 1 . 2 ]" 1 311 1 54 ASN HD22 1 57 LEU QD 3.000 . 5.000 3.362 1.899 4.981 . 0 0 "[ . 1 . 2 ]" 1 312 1 54 ASN HD22 1 57 LEU HG 4.300 . 6.000 4.886 3.016 6.004 0.004 2 0 "[ . 1 . 2 ]" 1 313 1 54 ASN HD22 1 105 GLU QB 3.000 . 5.000 3.651 2.204 5.000 . 0 0 "[ . 1 . 2 ]" 1 314 1 55 PRO HA 1 56 ASN H 4.300 . 6.000 3.346 2.357 3.516 . 0 0 "[ . 1 . 2 ]" 1 315 1 55 PRO HA 1 57 LEU H 3.000 . 5.000 3.977 3.533 4.476 . 0 0 "[ . 1 . 2 ]" 1 316 1 55 PRO HA 1 108 ALA H 3.000 . 5.000 3.147 2.601 3.882 . 0 0 "[ . 1 . 2 ]" 1 317 1 55 PRO HA 1 108 ALA MB 3.000 . 5.000 3.825 2.292 4.595 . 0 0 "[ . 1 . 2 ]" 1 318 1 55 PRO QB 1 56 ASN H 4.300 . 5.000 3.447 3.270 3.996 . 0 0 "[ . 1 . 2 ]" 1 319 1 55 PRO QB 1 108 ALA MB 4.300 . 5.000 4.312 3.012 5.001 0.001 6 0 "[ . 1 . 2 ]" 1 320 1 55 PRO QD 1 56 ASN H 3.000 . 5.000 2.862 2.410 4.545 . 0 0 "[ . 1 . 2 ]" 1 321 1 55 PRO QD 1 57 LEU H 4.300 . 6.000 4.745 4.385 5.787 . 0 0 "[ . 1 . 2 ]" 1 322 1 55 PRO QD 1 57 LEU QD 4.300 . 6.000 4.984 4.497 5.508 . 0 0 "[ . 1 . 2 ]" 1 323 1 55 PRO QD 1 108 ALA H 3.000 . 5.000 4.632 4.160 5.005 0.005 12 0 "[ . 1 . 2 ]" 1 324 1 55 PRO QG 1 56 ASN H 4.300 . 5.000 2.875 2.364 4.705 . 0 0 "[ . 1 . 2 ]" 1 325 1 55 PRO QG 1 108 ALA MB 4.300 . 6.000 5.411 4.226 6.002 0.002 19 0 "[ . 1 . 2 ]" 1 326 1 56 ASN H 1 57 LEU H 2.200 . 3.000 2.604 1.948 2.861 . 0 0 "[ . 1 . 2 ]" 1 327 1 56 ASN H 1 57 LEU QD 4.300 . 6.000 4.154 3.283 4.984 . 0 0 "[ . 1 . 2 ]" 1 328 1 56 ASN QB 1 57 LEU H 3.000 . 5.000 3.018 2.447 4.034 . 0 0 "[ . 1 . 2 ]" 1 329 1 56 ASN QD 1 57 LEU H 4.300 . 6.000 4.256 3.143 5.342 . 0 0 "[ . 1 . 2 ]" 1 330 1 56 ASN HD22 1 57 LEU H 4.300 . 6.000 5.489 3.764 6.001 0.001 4 0 "[ . 1 . 2 ]" 1 331 1 57 LEU H 1 58 PRO QD 4.300 . 5.000 4.369 4.325 4.410 . 0 0 "[ . 1 . 2 ]" 1 332 1 57 LEU H 1 107 GLY H 4.300 . 6.000 5.947 5.631 6.003 0.003 9 0 "[ . 1 . 2 ]" 1 333 1 57 LEU H 1 107 GLY QA 3.000 . 5.000 3.610 3.058 3.893 . 0 0 "[ . 1 . 2 ]" 1 334 1 57 LEU H 1 108 ALA H 3.000 . 5.000 4.658 4.210 5.001 0.001 1 0 "[ . 1 . 2 ]" 1 335 1 57 LEU HA 1 58 PRO QD 3.000 . 5.000 2.036 1.907 2.129 . 0 0 "[ . 1 . 2 ]" 1 336 1 57 LEU QB 1 58 PRO QD 4.300 . 6.000 2.032 1.955 2.335 . 0 0 "[ . 1 . 2 ]" 1 337 1 57 LEU QB 1 61 GLN QB 3.000 . 5.000 2.227 1.822 2.915 . 0 0 "[ . 1 . 2 ]" 1 338 1 57 LEU QB 1 61 GLN QG 3.000 . 5.000 3.727 2.139 4.950 . 0 0 "[ . 1 . 2 ]" 1 339 1 57 LEU QB 1 107 GLY H 3.000 . 5.000 3.417 2.966 3.812 . 0 0 "[ . 1 . 2 ]" 1 340 1 57 LEU QB 1 107 GLY QA 4.300 . 5.000 2.062 1.797 2.614 0.003 2 0 "[ . 1 . 2 ]" 1 341 1 57 LEU QD 1 58 PRO QD 3.000 . 5.000 2.549 1.844 3.020 . 0 0 "[ . 1 . 2 ]" 1 342 1 57 LEU QD 1 61 GLN QB 3.000 . 5.000 1.940 1.796 2.355 0.004 2 0 "[ . 1 . 2 ]" 1 343 1 57 LEU QD 1 61 GLN HE21 3.000 . 5.000 3.143 2.210 4.639 . 0 0 "[ . 1 . 2 ]" 1 344 1 57 LEU QD 1 61 GLN HE22 3.000 . 5.000 3.096 2.111 5.002 0.002 11 0 "[ . 1 . 2 ]" 1 345 1 57 LEU QD 1 61 GLN QG 3.000 . 5.000 2.975 1.800 3.599 . 4 0 "[ . 1 . 2 ]" 1 346 1 57 LEU QD 1 63 ASN H 3.000 . 5.000 3.768 2.516 4.960 . 0 0 "[ . 1 . 2 ]" 1 347 1 57 LEU QD 1 63 ASN QB 3.000 . 5.000 3.177 1.794 4.216 0.006 2 0 "[ . 1 . 2 ]" 1 348 1 57 LEU QD 1 63 ASN QD 3.000 . 5.000 3.268 1.985 3.953 . 0 0 "[ . 1 . 2 ]" 1 349 1 57 LEU QD 1 105 GLU HA 4.300 . 6.000 4.438 3.840 5.625 . 0 0 "[ . 1 . 2 ]" 1 350 1 57 LEU QD 1 106 VAL H 4.300 . 6.000 4.164 3.499 5.793 . 0 0 "[ . 1 . 2 ]" 1 351 1 57 LEU QD 1 107 GLY H 4.300 . 6.000 2.593 1.982 4.557 . 0 0 "[ . 1 . 2 ]" 1 352 1 58 PRO HA 1 59 ALA H 3.000 . 3.000 2.974 2.780 3.436 0.436 2 0 "[ . 1 . 2 ]" 1 353 1 58 PRO HA 1 59 ALA MB 3.000 . 5.000 3.759 3.703 4.058 . 0 0 "[ . 1 . 2 ]" 1 354 1 58 PRO QB 1 59 ALA H 3.000 . 5.000 3.834 1.784 4.000 0.016 2 0 "[ . 1 . 2 ]" 1 355 1 58 PRO QB 1 59 ALA MB 4.300 . 6.000 3.996 3.240 4.161 . 0 0 "[ . 1 . 2 ]" 1 356 1 58 PRO QB 1 61 GLN H 4.300 . 6.000 5.441 4.250 6.002 0.002 16 0 "[ . 1 . 2 ]" 1 357 1 58 PRO QD 1 59 ALA MB 4.300 . 5.000 4.904 4.763 5.017 0.017 17 0 "[ . 1 . 2 ]" 1 358 1 58 PRO QD 1 61 GLN H 4.300 . 6.000 3.861 2.780 4.353 . 0 0 "[ . 1 . 2 ]" 1 359 1 58 PRO QD 1 61 GLN QB 3.000 . 5.000 1.920 1.811 2.180 . 0 0 "[ . 1 . 2 ]" 1 360 1 58 PRO QD 1 61 GLN HE21 4.300 . 6.000 4.412 2.419 5.234 . 0 0 "[ . 1 . 2 ]" 1 361 1 58 PRO QD 1 61 GLN QG 4.300 . 6.000 2.597 1.956 3.538 . 0 0 "[ . 1 . 2 ]" 1 362 1 58 PRO QG 1 59 ALA H 4.300 . 6.000 4.362 3.317 4.753 . 0 0 "[ . 1 . 2 ]" 1 363 1 58 PRO QG 1 59 ALA MB 4.300 . 6.000 5.172 4.690 5.386 . 0 0 "[ . 1 . 2 ]" 1 364 1 58 PRO QG 1 61 GLN HE21 4.300 . 6.000 5.137 3.052 6.001 0.001 10 0 "[ . 1 . 2 ]" 1 365 1 58 PRO QG 1 61 GLN HE22 4.300 . 6.000 5.356 4.451 6.001 0.001 6 0 "[ . 1 . 2 ]" 1 366 1 59 ALA H 1 60 GLY H 3.000 . 5.000 4.031 3.659 4.304 . 0 0 "[ . 1 . 2 ]" 1 367 1 59 ALA H 1 61 GLN H 3.000 . 5.000 4.086 3.324 4.690 . 0 0 "[ . 1 . 2 ]" 1 368 1 59 ALA HA 1 60 GLY H 3.000 . 3.000 2.184 2.142 2.277 . 0 0 "[ . 1 . 2 ]" 1 369 1 59 ALA HA 1 61 GLN H 3.000 . 5.000 3.695 3.341 4.249 . 0 0 "[ . 1 . 2 ]" 1 370 1 59 ALA HA 1 61 GLN QB 4.300 . 6.000 4.583 4.243 5.200 . 0 0 "[ . 1 . 2 ]" 1 371 1 59 ALA MB 1 60 GLY H 3.000 . 5.000 3.048 2.705 3.437 . 0 0 "[ . 1 . 2 ]" 1 372 1 59 ALA MB 1 60 GLY QA 3.000 . 5.000 3.668 3.514 3.786 . 0 0 "[ . 1 . 2 ]" 1 373 1 59 ALA MB 1 61 GLN H 3.000 . 5.000 4.559 4.310 5.004 0.004 5 0 "[ . 1 . 2 ]" 1 374 1 60 GLY H 1 61 GLN H 3.000 . 5.000 2.771 2.445 3.026 . 0 0 "[ . 1 . 2 ]" 1 375 1 60 GLY H 1 108 ALA H 3.000 . 5.000 4.736 4.150 5.007 0.007 9 0 "[ . 1 . 2 ]" 1 376 1 60 GLY H 1 108 ALA MB 4.300 . 5.000 4.654 3.727 5.020 0.020 2 0 "[ . 1 . 2 ]" 1 377 1 60 GLY QA 1 61 GLN H 3.000 . 5.000 2.777 2.568 2.865 . 0 0 "[ . 1 . 2 ]" 1 378 1 61 GLN H 1 62 GLU H 3.000 . 5.000 4.498 4.249 4.590 . 0 0 "[ . 1 . 2 ]" 1 379 1 61 GLN H 1 106 VAL HA 3.000 . 5.000 4.303 3.432 5.008 0.008 10 0 "[ . 1 . 2 ]" 1 380 1 61 GLN H 1 107 GLY H 3.000 . 5.000 2.556 1.988 3.353 . 0 0 "[ . 1 . 2 ]" 1 381 1 61 GLN H 1 107 GLY QA 3.000 . 5.000 2.729 2.163 3.408 . 0 0 "[ . 1 . 2 ]" 1 382 1 61 GLN HA 1 62 GLU H 3.000 . 5.000 2.233 2.139 2.468 . 0 0 "[ . 1 . 2 ]" 1 383 1 61 GLN HA 1 62 GLU HA 4.300 . 6.000 4.415 4.371 4.543 . 0 0 "[ . 1 . 2 ]" 1 384 1 61 GLN HA 1 62 GLU QB 4.300 . 6.000 4.212 3.816 4.596 . 0 0 "[ . 1 . 2 ]" 1 385 1 61 GLN QB 1 62 GLU H 3.000 . 5.000 3.477 2.877 3.898 . 0 0 "[ . 1 . 2 ]" 1 386 1 61 GLN QB 1 106 VAL HA 4.300 . 6.000 4.472 3.792 4.964 . 0 0 "[ . 1 . 2 ]" 1 387 1 61 GLN QB 1 107 GLY QA 4.300 . 6.000 3.326 2.325 4.044 . 0 0 "[ . 1 . 2 ]" 1 388 1 61 GLN HE21 1 62 GLU H 4.300 . 6.000 3.540 2.197 5.286 . 0 0 "[ . 1 . 2 ]" 1 389 1 61 GLN HE21 1 63 ASN QB 4.300 . 6.000 3.632 2.527 5.744 . 0 0 "[ . 1 . 2 ]" 1 390 1 61 GLN HE22 1 62 GLU H 3.000 . 5.000 4.464 2.782 5.001 0.001 15 0 "[ . 1 . 2 ]" 1 391 1 61 GLN HE22 1 63 ASN HA 4.300 . 6.000 4.769 2.912 6.001 0.001 4 0 "[ . 1 . 2 ]" 1 392 1 61 GLN HE22 1 63 ASN QB 4.300 . 6.000 3.329 2.005 5.373 . 0 0 "[ . 1 . 2 ]" 1 393 1 61 GLN QG 1 62 GLU QB 4.300 . 5.000 4.677 4.187 5.001 0.001 4 0 "[ . 1 . 2 ]" 1 394 1 61 GLN QG 1 63 ASN QB 4.300 . 6.000 4.556 3.162 5.822 . 0 0 "[ . 1 . 2 ]" 1 395 1 62 GLU H 1 63 ASN H 3.000 . 5.000 4.310 4.016 4.571 . 0 0 "[ . 1 . 2 ]" 1 396 1 62 GLU HA 1 63 ASN H 2.200 . 3.000 2.198 2.128 2.516 . 0 0 "[ . 1 . 2 ]" 1 397 1 62 GLU HA 1 63 ASN QB 4.300 . 6.000 4.311 3.903 4.565 . 0 0 "[ . 1 . 2 ]" 1 398 1 63 ASN H 1 104 VAL HA 3.000 . 5.000 4.102 3.664 4.827 . 0 0 "[ . 1 . 2 ]" 1 399 1 63 ASN H 1 105 GLU HA 4.300 . 6.000 5.170 4.376 5.728 . 0 0 "[ . 1 . 2 ]" 1 400 1 63 ASN H 1 105 GLU QB 3.000 . 5.000 4.039 2.933 4.412 . 0 0 "[ . 1 . 2 ]" 1 401 1 63 ASN H 1 105 GLU QG 3.000 . 5.000 4.888 4.169 5.004 0.004 18 0 "[ . 1 . 2 ]" 1 402 1 63 ASN H 1 107 GLY H 4.300 . 6.000 5.701 4.611 6.002 0.002 17 0 "[ . 1 . 2 ]" 1 403 1 63 ASN HA 1 64 ILE H 3.000 . 5.000 2.194 2.139 2.392 . 0 0 "[ . 1 . 2 ]" 1 404 1 63 ASN HA 1 64 ILE HA 4.300 . 6.000 4.385 4.359 4.436 . 0 0 "[ . 1 . 2 ]" 1 405 1 63 ASN HA 1 64 ILE HB 3.000 . 5.000 4.712 4.594 4.815 . 0 0 "[ . 1 . 2 ]" 1 406 1 63 ASN HA 1 64 ILE HG12 3.000 . 5.000 3.983 3.262 5.005 0.005 2 0 "[ . 1 . 2 ]" 1 407 1 63 ASN HA 1 64 ILE QG 4.300 . 6.000 3.493 3.199 3.740 . 0 0 "[ . 1 . 2 ]" 1 408 1 63 ASN HA 1 65 ILE H 4.300 . 6.000 5.504 5.020 6.008 0.008 10 0 "[ . 1 . 2 ]" 1 409 1 63 ASN QB 1 64 ILE H 3.000 . 5.000 3.260 2.429 3.895 . 0 0 "[ . 1 . 2 ]" 1 410 1 63 ASN QB 1 64 ILE HB 4.300 . 6.000 5.442 4.936 6.017 0.017 2 0 "[ . 1 . 2 ]" 1 411 1 63 ASN QB 1 65 ILE H 4.300 . 6.000 4.766 4.140 5.717 . 0 0 "[ . 1 . 2 ]" 1 412 1 63 ASN QB 1 65 ILE MD 3.000 . 5.000 3.629 2.566 5.000 . 0 0 "[ . 1 . 2 ]" 1 413 1 63 ASN QB 1 65 ILE QG 3.000 . 5.000 3.867 3.201 4.605 . 0 0 "[ . 1 . 2 ]" 1 414 1 63 ASN QB 1 105 GLU QB 3.000 . 5.000 3.950 1.881 4.942 . 0 0 "[ . 1 . 2 ]" 1 415 1 63 ASN QB 1 105 GLU QG 3.000 . 5.000 4.452 3.201 5.001 0.001 7 0 "[ . 1 . 2 ]" 1 416 1 63 ASN QD 1 64 ILE H 4.300 . 6.000 4.535 3.016 5.054 . 0 0 "[ . 1 . 2 ]" 1 417 1 63 ASN QD 1 65 ILE MD 3.000 . 5.000 2.400 1.806 4.147 . 0 0 "[ . 1 . 2 ]" 1 418 1 63 ASN QD 1 65 ILE QG 3.000 . 5.000 2.908 1.866 4.137 . 0 0 "[ . 1 . 2 ]" 1 419 1 63 ASN QD 1 105 GLU QB 4.300 . 6.000 2.802 1.980 4.450 . 0 0 "[ . 1 . 2 ]" 1 420 1 63 ASN QD 1 105 GLU QG 3.000 . 5.000 2.962 1.995 4.222 . 0 0 "[ . 1 . 2 ]" 1 421 1 63 ASN HD22 1 64 ILE H 4.300 . 6.000 5.581 4.115 6.003 0.003 17 0 "[ . 1 . 2 ]" 1 422 1 63 ASN HD22 1 65 ILE MD 3.000 . 5.000 2.740 1.881 4.297 . 0 0 "[ . 1 . 2 ]" 1 423 1 63 ASN HD22 1 65 ILE QG 4.300 . 6.000 3.357 2.562 4.377 . 0 0 "[ . 1 . 2 ]" 1 424 1 63 ASN HD22 1 105 GLU QB 3.000 . 5.000 3.310 1.988 5.010 0.010 2 0 "[ . 1 . 2 ]" 1 425 1 63 ASN HD22 1 105 GLU QG 3.000 . 5.000 3.384 2.013 4.904 . 0 0 "[ . 1 . 2 ]" 1 426 1 64 ILE HA 1 65 ILE H 3.000 . 5.000 2.220 2.109 2.292 . 0 0 "[ . 1 . 2 ]" 1 427 1 64 ILE HA 1 65 ILE HG12 4.300 . 6.000 4.399 3.492 5.856 . 0 0 "[ . 1 . 2 ]" 1 428 1 64 ILE HA 1 65 ILE QG 4.300 . 6.000 3.707 3.323 4.186 . 0 0 "[ . 1 . 2 ]" 1 429 1 64 ILE HA 1 65 ILE HG13 4.300 . 6.000 4.841 3.445 5.745 . 0 0 "[ . 1 . 2 ]" 1 430 1 64 ILE HA 1 66 THR H 3.000 . 5.000 3.696 3.419 4.090 . 0 0 "[ . 1 . 2 ]" 1 431 1 64 ILE HA 1 102 GLN HE21 4.300 . 6.000 4.760 3.715 5.933 . 0 0 "[ . 1 . 2 ]" 1 432 1 64 ILE HA 1 102 GLN HE22 4.300 . 6.000 5.272 3.341 6.010 0.010 10 0 "[ . 1 . 2 ]" 1 433 1 64 ILE MD 1 65 ILE H 3.000 . 5.000 4.373 3.928 5.028 0.028 2 0 "[ . 1 . 2 ]" 1 434 1 64 ILE MD 1 66 THR H 4.300 . 6.000 4.913 4.200 5.591 . 0 0 "[ . 1 . 2 ]" 1 435 1 64 ILE MD 1 68 GLY H 3.000 . 5.000 4.960 4.090 5.009 0.009 5 0 "[ . 1 . 2 ]" 1 436 1 64 ILE MD 1 102 GLN HE21 3.000 . 5.000 2.618 1.959 4.254 . 0 0 "[ . 1 . 2 ]" 1 437 1 64 ILE MD 1 102 GLN HE22 3.000 . 5.000 2.858 2.039 3.974 . 0 0 "[ . 1 . 2 ]" 1 438 1 64 ILE MD 1 102 GLN QG 3.000 . 5.000 3.365 2.939 4.074 . 0 0 "[ . 1 . 2 ]" 1 439 1 64 ILE QG 1 65 ILE H 3.000 . 5.000 3.056 2.264 3.466 . 0 0 "[ . 1 . 2 ]" 1 440 1 64 ILE QG 1 66 THR H 3.000 . 5.000 2.806 2.462 3.260 . 0 0 "[ . 1 . 2 ]" 1 441 1 64 ILE QG 1 66 THR HA 3.000 . 5.000 3.579 3.307 3.749 . 0 0 "[ . 1 . 2 ]" 1 442 1 64 ILE QG 1 66 THR HB 4.300 . 6.000 4.942 4.631 5.251 . 0 0 "[ . 1 . 2 ]" 1 443 1 64 ILE QG 1 67 ALA H 3.000 . 5.000 2.651 2.162 3.235 . 0 0 "[ . 1 . 2 ]" 1 444 1 64 ILE QG 1 67 ALA MB 2.200 . 3.000 2.428 1.919 2.856 . 0 0 "[ . 1 . 2 ]" 1 445 1 64 ILE QG 1 68 GLY H 4.300 . 6.000 4.176 3.548 4.382 . 0 0 "[ . 1 . 2 ]" 1 446 1 64 ILE QG 1 102 GLN HE21 4.300 . 6.000 2.909 1.946 4.011 . 0 0 "[ . 1 . 2 ]" 1 447 1 64 ILE QG 1 102 GLN HE22 4.300 . 6.000 3.282 1.953 4.270 . 0 0 "[ . 1 . 2 ]" 1 448 1 64 ILE QG 1 102 GLN QG 3.000 . 5.000 3.071 2.556 4.170 . 0 0 "[ . 1 . 2 ]" 1 449 1 64 ILE QG 1 103 VAL H 4.300 . 6.000 3.813 3.326 4.511 . 0 0 "[ . 1 . 2 ]" 1 450 1 64 ILE HG12 1 102 GLN HE21 4.300 . 6.000 4.750 2.754 5.999 . 0 0 "[ . 1 . 2 ]" 1 451 1 64 ILE HG12 1 102 GLN HE22 4.300 . 6.000 4.916 2.048 6.002 0.002 1 0 "[ . 1 . 2 ]" 1 452 1 64 ILE MG 1 65 ILE H 3.000 . 5.000 3.108 2.273 3.551 . 0 0 "[ . 1 . 2 ]" 1 453 1 64 ILE MG 1 66 THR H 3.000 . 5.000 2.814 2.466 3.276 . 0 0 "[ . 1 . 2 ]" 1 454 1 64 ILE MG 1 67 ALA H 3.000 . 5.000 2.656 2.164 3.245 . 0 0 "[ . 1 . 2 ]" 1 455 1 64 ILE MG 1 67 ALA HA 3.000 . 5.000 2.564 2.281 2.789 . 0 0 "[ . 1 . 2 ]" 1 456 1 64 ILE MG 1 67 ALA MB 2.200 . 3.000 2.439 1.925 2.869 . 0 0 "[ . 1 . 2 ]" 1 457 1 64 ILE MG 1 68 GLY H 3.000 . 5.000 4.228 3.601 4.436 . 0 0 "[ . 1 . 2 ]" 1 458 1 64 ILE MG 1 102 GLN HE21 3.000 . 5.000 3.029 1.955 4.342 . 0 0 "[ . 1 . 2 ]" 1 459 1 64 ILE MG 1 102 GLN HE22 3.000 . 5.000 3.543 1.962 4.540 . 0 0 "[ . 1 . 2 ]" 1 460 1 64 ILE MG 1 102 GLN QG 3.000 . 5.000 3.126 2.583 4.288 . 0 0 "[ . 1 . 2 ]" 1 461 1 64 ILE MG 1 103 VAL H 3.000 . 5.000 3.843 3.349 4.560 . 0 0 "[ . 1 . 2 ]" 1 462 1 65 ILE H 1 66 THR H 2.200 . 3.000 2.428 2.093 2.732 . 0 0 "[ . 1 . 2 ]" 1 463 1 65 ILE H 1 66 THR HB 4.300 . 6.000 5.325 4.952 5.668 . 0 0 "[ . 1 . 2 ]" 1 464 1 65 ILE HA 1 66 THR H 3.000 . 5.000 3.522 3.490 3.555 . 0 0 "[ . 1 . 2 ]" 1 465 1 65 ILE HB 1 66 THR H 3.000 . 5.000 2.633 2.377 2.841 . 0 0 "[ . 1 . 2 ]" 1 466 1 65 ILE HB 1 66 THR HB 4.300 . 6.000 4.052 3.747 4.555 . 0 0 "[ . 1 . 2 ]" 1 467 1 65 ILE MD 1 66 THR H 4.300 . 6.000 4.399 3.113 4.745 . 0 0 "[ . 1 . 2 ]" 1 468 1 65 ILE MD 1 105 GLU H 3.000 . 5.000 3.905 2.303 4.736 . 0 0 "[ . 1 . 2 ]" 1 469 1 65 ILE MD 1 105 GLU HA 4.300 . 6.000 5.379 4.115 6.006 0.006 2 0 "[ . 1 . 2 ]" 1 470 1 65 ILE MD 1 105 GLU QB 3.000 . 5.000 3.726 3.076 4.270 . 0 0 "[ . 1 . 2 ]" 1 471 1 65 ILE MD 1 105 GLU QG 3.000 . 5.000 2.504 1.798 3.177 0.002 18 0 "[ . 1 . 2 ]" 1 472 1 65 ILE QG 1 66 THR H 4.300 . 5.000 3.342 3.199 3.418 . 0 0 "[ . 1 . 2 ]" 1 473 1 65 ILE QG 1 66 THR HA 3.000 . 5.000 4.213 3.996 4.365 . 0 0 "[ . 1 . 2 ]" 1 474 1 65 ILE QG 1 66 THR HB 3.000 . 5.000 3.987 2.980 4.491 . 0 0 "[ . 1 . 2 ]" 1 475 1 65 ILE QG 1 105 GLU H 4.300 . 6.000 3.540 2.976 4.184 . 0 0 "[ . 1 . 2 ]" 1 476 1 65 ILE QG 1 105 GLU QB 3.000 . 5.000 4.008 3.400 4.349 . 0 0 "[ . 1 . 2 ]" 1 477 1 65 ILE QG 1 105 GLU QG 3.000 . 5.000 2.597 2.051 3.219 . 0 0 "[ . 1 . 2 ]" 1 478 1 65 ILE HG12 1 66 THR H 3.000 . 5.000 4.362 3.815 5.001 0.001 8 0 "[ . 1 . 2 ]" 1 479 1 65 ILE HG12 1 105 GLU H 4.300 . 6.000 4.183 3.074 5.113 . 0 0 "[ . 1 . 2 ]" 1 480 1 65 ILE HG12 1 105 GLU QB 3.000 . 5.000 4.626 3.867 5.005 0.005 19 0 "[ . 1 . 2 ]" 1 481 1 65 ILE HG12 1 105 GLU QG 3.000 . 5.000 3.078 2.309 3.898 . 0 0 "[ . 1 . 2 ]" 1 482 1 65 ILE HG13 1 66 THR H 3.000 . 5.000 4.533 3.820 5.002 0.002 5 0 "[ . 1 . 2 ]" 1 483 1 65 ILE HG13 1 105 GLU QB 3.000 . 5.000 4.583 3.857 5.004 0.004 8 0 "[ . 1 . 2 ]" 1 484 1 65 ILE HG13 1 105 GLU QG 4.300 . 6.000 2.915 2.165 4.075 . 0 0 "[ . 1 . 2 ]" 1 485 1 65 ILE MG 1 66 THR H 3.000 . 5.000 3.687 3.501 3.827 . 0 0 "[ . 1 . 2 ]" 1 486 1 65 ILE MG 1 105 GLU QG 3.000 . 5.000 4.447 3.923 4.613 . 0 0 "[ . 1 . 2 ]" 1 487 1 66 THR H 1 67 ALA H 3.000 . 5.000 3.631 3.279 4.083 . 0 0 "[ . 1 . 2 ]" 1 488 1 66 THR H 1 67 ALA MB 4.300 . 6.000 4.907 4.609 5.125 . 0 0 "[ . 1 . 2 ]" 1 489 1 66 THR H 1 103 VAL H 3.000 . 5.000 2.933 2.665 3.254 . 0 0 "[ . 1 . 2 ]" 1 490 1 66 THR H 1 103 VAL HB 3.000 . 5.000 2.629 1.861 5.001 0.001 17 0 "[ . 1 . 2 ]" 1 491 1 66 THR H 1 103 VAL QG 3.000 . 5.000 3.086 1.962 3.621 . 0 0 "[ . 1 . 2 ]" 1 492 1 66 THR H 1 104 VAL HA 3.000 . 5.000 4.758 4.343 5.019 0.019 2 0 "[ . 1 . 2 ]" 1 493 1 66 THR HA 1 67 ALA H 2.200 . 3.000 2.218 2.143 2.301 . 0 0 "[ . 1 . 2 ]" 1 494 1 66 THR HA 1 67 ALA MB 3.000 . 5.000 3.998 3.968 4.043 . 0 0 "[ . 1 . 2 ]" 1 495 1 66 THR HB 1 67 ALA H 4.300 . 5.000 4.382 4.243 4.530 . 0 0 "[ . 1 . 2 ]" 1 496 1 66 THR HB 1 103 VAL H 3.000 . 5.000 3.388 2.705 4.623 . 0 0 "[ . 1 . 2 ]" 1 497 1 66 THR HB 1 103 VAL HB 3.000 . 5.000 3.220 2.414 4.916 . 0 0 "[ . 1 . 2 ]" 1 498 1 66 THR HB 1 103 VAL MG1 3.000 . 5.000 4.067 3.668 4.642 . 0 0 "[ . 1 . 2 ]" 1 499 1 66 THR HB 1 103 VAL QG 3.000 . 5.000 2.268 1.882 3.649 . 0 0 "[ . 1 . 2 ]" 1 500 1 66 THR HG1 1 103 VAL H 4.300 . 6.000 3.576 1.951 4.338 . 0 0 "[ . 1 . 2 ]" 1 501 1 66 THR MG 1 67 ALA H 3.000 . 5.000 3.567 3.288 4.157 . 0 0 "[ . 1 . 2 ]" 1 502 1 66 THR MG 1 103 VAL H 3.000 . 5.000 3.796 1.953 4.586 . 0 0 "[ . 1 . 2 ]" 1 503 1 67 ALA H 1 68 GLY H 3.000 . 5.000 4.601 4.440 4.649 . 0 0 "[ . 1 . 2 ]" 1 504 1 67 ALA H 1 102 GLN QG 4.300 . 6.000 4.738 4.180 6.019 0.019 11 0 "[ . 1 . 2 ]" 1 505 1 67 ALA HA 1 68 GLY H 3.000 . 5.000 2.229 2.134 2.394 . 0 0 "[ . 1 . 2 ]" 1 506 1 67 ALA HA 1 68 GLY QA 4.300 . 6.000 3.896 3.888 3.919 . 0 0 "[ . 1 . 2 ]" 1 507 1 67 ALA HA 1 102 GLN HA 4.300 . 6.000 2.906 2.437 3.718 . 0 0 "[ . 1 . 2 ]" 1 508 1 67 ALA HA 1 102 GLN QG 3.000 . 5.000 2.438 1.919 3.900 . 0 0 "[ . 1 . 2 ]" 1 509 1 67 ALA MB 1 68 GLY H 3.000 . 5.000 2.842 2.389 3.298 . 0 0 "[ . 1 . 2 ]" 1 510 1 67 ALA MB 1 68 GLY QA 4.300 . 6.000 3.924 3.738 4.151 . 0 0 "[ . 1 . 2 ]" 1 511 1 67 ALA MB 1 102 GLN HE21 4.300 . 6.000 4.241 2.974 6.002 0.002 2 0 "[ . 1 . 2 ]" 1 512 1 67 ALA MB 1 102 GLN QG 4.300 . 6.000 3.703 3.089 4.817 . 0 0 "[ . 1 . 2 ]" 1 513 1 68 GLY H 1 69 VAL H 3.000 . 5.000 4.537 4.409 4.612 . 0 0 "[ . 1 . 2 ]" 1 514 1 68 GLY H 1 102 GLN HA 3.000 . 5.000 2.513 2.069 3.235 . 0 0 "[ . 1 . 2 ]" 1 515 1 68 GLY H 1 102 GLN QB 3.000 . 5.000 2.254 1.962 3.368 . 0 0 "[ . 1 . 2 ]" 1 516 1 68 GLY H 1 102 GLN HE21 4.300 . 6.000 3.969 3.103 4.838 . 0 0 "[ . 1 . 2 ]" 1 517 1 68 GLY H 1 102 GLN HE22 4.300 . 6.000 4.486 3.136 5.813 . 0 0 "[ . 1 . 2 ]" 1 518 1 68 GLY H 1 102 GLN QG 3.000 . 5.000 2.352 1.797 3.300 0.003 2 0 "[ . 1 . 2 ]" 1 519 1 68 GLY H 1 103 VAL H 3.000 . 5.000 4.379 3.767 4.990 . 0 0 "[ . 1 . 2 ]" 1 520 1 68 GLY QA 1 69 VAL H 3.000 . 5.000 2.131 2.112 2.148 . 0 0 "[ . 1 . 2 ]" 1 521 1 68 GLY QA 1 69 VAL HB 4.300 . 6.000 4.505 4.467 4.548 . 0 0 "[ . 1 . 2 ]" 1 522 1 68 GLY QA 1 69 VAL QG 4.300 . 6.000 3.296 3.179 3.561 . 0 0 "[ . 1 . 2 ]" 1 523 1 68 GLY QA 1 100 ILE HB 4.300 . 6.000 3.378 3.177 4.967 . 0 0 "[ . 1 . 2 ]" 1 524 1 68 GLY QA 1 100 ILE QG 4.300 . 6.000 2.596 2.208 3.021 . 0 0 "[ . 1 . 2 ]" 1 525 1 68 GLY QA 1 100 ILE MG 3.000 . 5.000 2.616 2.211 3.048 . 0 0 "[ . 1 . 2 ]" 1 526 1 68 GLY QA 1 102 GLN H 4.300 . 5.000 2.379 2.162 2.754 . 0 0 "[ . 1 . 2 ]" 1 527 1 68 GLY QA 1 102 GLN QB 4.300 . 6.000 2.062 1.916 2.669 . 0 0 "[ . 1 . 2 ]" 1 528 1 68 GLY QA 1 103 VAL H 4.300 . 6.000 4.508 4.113 4.888 . 0 0 "[ . 1 . 2 ]" 1 529 1 69 VAL H 1 70 LYS H 3.000 . 5.000 4.289 4.131 4.391 . 0 0 "[ . 1 . 2 ]" 1 530 1 69 VAL H 1 99 VAL HA 4.300 . 5.000 5.011 4.863 5.030 0.030 18 0 "[ . 1 . 2 ]" 1 531 1 69 VAL H 1 100 ILE H 3.000 . 5.000 3.429 3.217 3.522 . 0 0 "[ . 1 . 2 ]" 1 532 1 69 VAL H 1 100 ILE HB 3.000 . 5.000 2.128 1.928 4.303 . 0 0 "[ . 1 . 2 ]" 1 533 1 69 VAL H 1 100 ILE MD 3.000 . 5.000 4.072 3.257 4.900 . 0 0 "[ . 1 . 2 ]" 1 534 1 69 VAL H 1 100 ILE QG 3.000 . 5.000 2.843 1.812 3.215 . 0 0 "[ . 1 . 2 ]" 1 535 1 69 VAL H 1 100 ILE MG 3.000 . 5.000 2.925 1.818 3.385 . 0 0 "[ . 1 . 2 ]" 1 536 1 69 VAL H 1 101 ASN H 4.300 . 6.000 4.452 4.241 4.960 . 0 0 "[ . 1 . 2 ]" 1 537 1 69 VAL H 1 102 GLN H 4.300 . 6.000 4.670 4.366 5.070 . 0 0 "[ . 1 . 2 ]" 1 538 1 69 VAL HA 1 70 LYS H 3.000 . 3.000 2.164 2.137 2.215 . 0 0 "[ . 1 . 2 ]" 1 539 1 69 VAL HB 1 70 LYS H 4.300 . 6.000 4.029 3.835 4.184 . 0 0 "[ . 1 . 2 ]" 1 540 1 69 VAL HB 1 99 VAL HA 4.300 . 6.000 4.864 4.367 5.078 . 0 0 "[ . 1 . 2 ]" 1 541 1 69 VAL HB 1 100 ILE H 3.000 . 5.000 3.321 2.732 3.648 . 0 0 "[ . 1 . 2 ]" 1 542 1 69 VAL HB 1 100 ILE HB 3.000 . 5.000 2.347 1.976 4.227 . 0 0 "[ . 1 . 2 ]" 1 543 1 69 VAL HB 1 100 ILE MD 3.000 . 5.000 3.097 1.921 4.701 . 0 0 "[ . 1 . 2 ]" 1 544 1 69 VAL HB 1 100 ILE HG12 3.000 . 5.000 3.464 2.595 4.769 . 0 0 "[ . 1 . 2 ]" 1 545 1 69 VAL HB 1 100 ILE QG 3.000 . 5.000 2.851 1.896 3.615 . 0 0 "[ . 1 . 2 ]" 1 546 1 69 VAL QG 1 70 LYS H 3.000 . 5.000 2.446 2.161 2.667 . 0 0 "[ . 1 . 2 ]" 1 547 1 69 VAL QG 1 97 LYS QE 3.000 . 5.000 4.498 3.611 5.001 0.001 12 0 "[ . 1 . 2 ]" 1 548 1 69 VAL QG 1 99 VAL HA 4.300 . 6.000 4.711 4.316 4.844 . 0 0 "[ . 1 . 2 ]" 1 549 1 69 VAL QG 1 100 ILE H 3.000 . 5.000 3.918 3.516 4.128 . 0 0 "[ . 1 . 2 ]" 1 550 1 69 VAL QG 1 100 ILE HB 3.000 . 5.000 2.707 2.080 4.404 . 0 0 "[ . 1 . 2 ]" 1 551 1 69 VAL QG 1 100 ILE HG12 3.000 . 5.000 3.727 3.389 4.438 . 0 0 "[ . 1 . 2 ]" 1 552 1 70 LYS HA 1 71 GLY H 3.000 . 5.000 2.143 2.132 2.171 . 0 0 "[ . 1 . 2 ]" 1 553 1 71 GLY H 1 72 GLU H 3.000 . 5.000 4.217 4.077 4.478 . 0 0 "[ . 1 . 2 ]" 1 554 1 71 GLY H 1 99 VAL H 4.300 . 6.000 4.303 4.046 4.692 . 0 0 "[ . 1 . 2 ]" 1 555 1 71 GLY H 1 99 VAL HA 4.300 . 5.000 2.299 1.977 2.857 . 0 0 "[ . 1 . 2 ]" 1 556 1 71 GLY H 1 99 VAL HB 3.000 . 5.000 2.249 1.966 2.496 . 0 0 "[ . 1 . 2 ]" 1 557 1 71 GLY H 1 99 VAL QG 3.000 . 5.000 1.963 1.869 2.078 . 0 0 "[ . 1 . 2 ]" 1 558 1 71 GLY H 1 99 VAL MG2 3.000 . 5.000 1.969 1.873 2.090 . 0 0 "[ . 1 . 2 ]" 1 559 1 71 GLY H 1 100 ILE H 4.300 . 5.000 3.903 3.645 4.479 . 0 0 "[ . 1 . 2 ]" 1 560 1 71 GLY QA 1 72 GLU H 3.000 . 5.000 2.216 2.179 2.294 . 0 0 "[ . 1 . 2 ]" 1 561 1 71 GLY QA 1 73 ARG H 4.300 . 6.000 5.391 5.009 5.730 . 0 0 "[ . 1 . 2 ]" 1 562 1 71 GLY QA 1 97 LYS QB 4.300 . 5.000 2.802 2.168 3.354 . 0 0 "[ . 1 . 2 ]" 1 563 1 71 GLY QA 1 97 LYS QG 4.300 . 6.000 3.320 1.803 4.436 . 0 0 "[ . 1 . 2 ]" 1 564 1 71 GLY QA 1 99 VAL H 3.000 . 5.000 3.144 2.830 3.440 . 0 0 "[ . 1 . 2 ]" 1 565 1 71 GLY QA 1 99 VAL HA 4.300 . 5.000 2.010 1.871 2.143 . 0 0 "[ . 1 . 2 ]" 1 566 1 71 GLY QA 1 99 VAL HB 3.000 . 5.000 2.688 2.321 2.972 . 0 0 "[ . 1 . 2 ]" 1 567 1 71 GLY QA 1 99 VAL QG 3.000 . 5.000 3.144 2.933 3.282 . 0 0 "[ . 1 . 2 ]" 1 568 1 71 GLY QA 1 99 VAL MG2 3.000 . 5.000 3.322 3.083 3.468 . 0 0 "[ . 1 . 2 ]" 1 569 1 72 GLU H 1 73 ARG H 3.000 . 5.000 3.923 3.587 4.248 . 0 0 "[ . 1 . 2 ]" 1 570 1 72 GLU H 1 74 THR H 4.300 . 6.000 6.234 6.115 6.269 0.269 3 0 "[ . 1 . 2 ]" 1 571 1 72 GLU H 1 96 THR H 3.000 . 5.000 5.033 4.987 5.064 0.064 13 0 "[ . 1 . 2 ]" 1 572 1 72 GLU H 1 97 LYS H 3.000 . 5.000 4.637 4.309 4.850 . 0 0 "[ . 1 . 2 ]" 1 573 1 72 GLU H 1 97 LYS HA 3.000 . 5.000 4.328 3.977 4.571 . 0 0 "[ . 1 . 2 ]" 1 574 1 72 GLU H 1 97 LYS QG 3.000 . 5.000 3.205 2.156 4.154 . 0 0 "[ . 1 . 2 ]" 1 575 1 72 GLU H 1 98 GLU H 4.300 . 6.000 3.579 2.642 4.320 . 0 0 "[ . 1 . 2 ]" 1 576 1 72 GLU H 1 99 VAL H 4.300 . 6.000 4.099 3.526 4.572 . 0 0 "[ . 1 . 2 ]" 1 577 1 72 GLU H 1 99 VAL HA 4.300 . 5.000 4.236 4.082 4.443 . 0 0 "[ . 1 . 2 ]" 1 578 1 72 GLU H 1 99 VAL HB 4.300 . 6.000 4.149 3.779 4.609 . 0 0 "[ . 1 . 2 ]" 1 579 1 72 GLU H 1 99 VAL QG 4.300 . 5.000 4.513 4.218 4.835 . 0 0 "[ . 1 . 2 ]" 1 580 1 72 GLU H 1 100 ILE H 4.300 . 6.000 6.058 6.008 6.102 0.102 20 0 "[ . 1 . 2 ]" 1 581 1 72 GLU HA 1 73 ARG H 3.000 . 3.000 2.200 2.137 2.308 . 0 0 "[ . 1 . 2 ]" 1 582 1 72 GLU QB 1 73 ARG H 4.300 . 6.000 3.391 2.959 3.843 . 0 0 "[ . 1 . 2 ]" 1 583 1 72 GLU QB 1 97 LYS H 4.300 . 6.000 5.397 4.774 6.028 0.028 14 0 "[ . 1 . 2 ]" 1 584 1 72 GLU QB 1 97 LYS QG 3.000 . 5.000 2.226 1.823 3.206 . 0 0 "[ . 1 . 2 ]" 1 585 1 72 GLU QG 1 73 ARG H 4.300 . 5.000 3.085 2.370 3.956 . 0 0 "[ . 1 . 2 ]" 1 586 1 73 ARG HA 1 95 VAL HA 4.300 . 5.000 3.125 2.548 3.448 . 0 0 "[ . 1 . 2 ]" 1 587 1 73 ARG HA 1 95 VAL QG 4.300 . 6.000 3.859 3.209 4.649 . 0 0 "[ . 1 . 2 ]" 1 588 1 73 ARG HA 1 96 THR H 3.000 . 5.000 1.816 1.785 1.954 0.015 11 0 "[ . 1 . 2 ]" 1 589 1 73 ARG HA 1 96 THR HG1 4.300 . 6.000 3.040 2.740 3.359 . 0 0 "[ . 1 . 2 ]" 1 590 1 73 ARG HA 1 97 LYS H 4.300 . 6.000 4.748 4.437 4.982 . 0 0 "[ . 1 . 2 ]" 1 591 1 73 ARG QD 1 74 THR H 4.300 . 6.000 4.863 4.361 5.170 . 0 0 "[ . 1 . 2 ]" 1 592 1 73 ARG QD 1 75 HIS HD1 4.300 . 6.000 3.784 3.443 4.682 . 0 0 "[ . 1 . 2 ]" 1 593 1 73 ARG QD 1 93 SER QB 4.300 . 5.000 3.457 2.626 4.498 . 0 0 "[ . 1 . 2 ]" 1 594 1 73 ARG HE 1 93 SER QB 4.300 . 6.000 4.740 2.190 6.006 0.006 2 0 "[ . 1 . 2 ]" 1 595 1 73 ARG QG 1 74 THR H 4.300 . 6.000 3.106 2.683 3.245 . 0 0 "[ . 1 . 2 ]" 1 596 1 73 ARG QG 1 75 HIS HD1 4.300 . 6.000 2.571 1.981 3.149 . 0 0 "[ . 1 . 2 ]" 1 597 1 73 ARG QG 1 93 SER QB 4.300 . 5.000 2.817 2.572 3.099 . 0 0 "[ . 1 . 2 ]" 1 598 1 74 THR H 1 75 HIS H 3.000 . 5.000 4.517 4.447 4.594 . 0 0 "[ . 1 . 2 ]" 1 599 1 74 THR H 1 93 SER HA 4.300 . 6.000 6.133 6.059 6.194 0.194 18 0 "[ . 1 . 2 ]" 1 600 1 74 THR H 1 95 VAL HA 4.300 . 5.000 4.213 3.803 4.466 . 0 0 "[ . 1 . 2 ]" 1 601 1 74 THR H 1 96 THR H 3.000 . 5.000 2.667 2.362 2.900 . 0 0 "[ . 1 . 2 ]" 1 602 1 74 THR H 1 96 THR HG1 4.300 . 6.000 2.139 1.973 2.373 . 0 0 "[ . 1 . 2 ]" 1 603 1 74 THR H 1 96 THR MG 3.000 . 5.000 2.240 2.056 2.570 . 0 0 "[ . 1 . 2 ]" 1 604 1 74 THR H 1 97 LYS H 4.300 . 6.000 5.766 5.639 5.946 . 0 0 "[ . 1 . 2 ]" 1 605 1 74 THR HA 1 76 TYR QE 4.300 . 6.000 4.261 4.022 4.650 . 0 0 "[ . 1 . 2 ]" 1 606 1 74 THR HB 1 76 TYR QE 4.300 . 6.000 2.167 1.874 2.675 . 0 0 "[ . 1 . 2 ]" 1 607 1 74 THR HB 1 96 THR MG 3.000 . 5.000 1.998 1.808 2.420 . 0 0 "[ . 1 . 2 ]" 1 608 1 74 THR HG1 1 75 HIS H 3.000 . 5.000 2.391 2.057 2.653 . 0 0 "[ . 1 . 2 ]" 1 609 1 74 THR HG1 1 76 TYR QD 4.300 . 6.000 2.575 2.436 2.741 . 0 0 "[ . 1 . 2 ]" 1 610 1 74 THR HG1 1 76 TYR QE 3.000 . 5.000 2.576 2.320 2.808 . 0 0 "[ . 1 . 2 ]" 1 611 1 74 THR HG1 1 96 THR H 3.000 . 5.000 4.542 3.799 5.011 0.011 20 0 "[ . 1 . 2 ]" 1 612 1 74 THR HG1 1 96 THR MG 3.000 . 5.000 2.555 2.120 3.419 . 0 0 "[ . 1 . 2 ]" 1 613 1 74 THR MG 1 75 HIS HD1 3.000 . 5.000 4.687 4.641 4.742 . 0 0 "[ . 1 . 2 ]" 1 614 1 74 THR MG 1 76 TYR H 4.300 . 6.000 4.170 3.863 4.419 . 0 0 "[ . 1 . 2 ]" 1 615 1 74 THR MG 1 76 TYR QD 2.200 . 3.000 2.578 2.438 2.746 . 0 0 "[ . 1 . 2 ]" 1 616 1 74 THR MG 1 76 TYR QE 2.200 . 3.000 2.596 2.336 2.829 . 0 0 "[ . 1 . 2 ]" 1 617 1 74 THR MG 1 94 GLN H 4.300 . 6.000 4.954 4.524 5.319 . 0 0 "[ . 1 . 2 ]" 1 618 1 74 THR MG 1 96 THR HG1 3.000 . 5.000 3.340 3.193 3.660 . 0 0 "[ . 1 . 2 ]" 1 619 1 75 HIS HA 1 76 TYR H 3.000 . 5.000 2.015 1.989 2.057 . 0 0 "[ . 1 . 2 ]" 1 620 1 75 HIS HA 1 76 TYR QD 3.000 . 5.000 2.916 2.617 3.176 . 0 0 "[ . 1 . 2 ]" 1 621 1 75 HIS HA 1 76 TYR QE 4.300 . 6.000 3.664 3.514 3.848 . 0 0 "[ . 1 . 2 ]" 1 622 1 75 HIS HA 1 93 SER HA 3.000 . 5.000 3.336 2.926 3.566 . 0 0 "[ . 1 . 2 ]" 1 623 1 75 HIS HA 1 93 SER QB 4.300 . 6.000 1.769 1.750 1.788 0.050 2 0 "[ . 1 . 2 ]" 1 624 1 75 HIS HA 1 94 GLN H 3.000 . 5.000 4.297 3.781 4.765 . 0 0 "[ . 1 . 2 ]" 1 625 1 75 HIS QB 1 76 TYR H 4.300 . 5.000 3.414 3.335 3.479 . 0 0 "[ . 1 . 2 ]" 1 626 1 75 HIS QB 1 77 ILE HG12 4.300 . 6.000 4.444 3.697 4.681 . 0 0 "[ . 1 . 2 ]" 1 627 1 75 HIS QB 1 77 ILE QG 4.300 . 6.000 3.437 2.644 3.897 . 0 0 "[ . 1 . 2 ]" 1 628 1 75 HIS QB 1 77 ILE HG13 3.000 . 5.000 3.645 2.719 4.290 . 0 0 "[ . 1 . 2 ]" 1 629 1 75 HIS HD1 1 77 ILE MD 4.300 . 6.000 4.351 3.803 4.952 . 0 0 "[ . 1 . 2 ]" 1 630 1 75 HIS HD1 1 93 SER H 4.300 . 6.000 4.854 4.606 5.327 . 0 0 "[ . 1 . 2 ]" 1 631 1 75 HIS HD1 1 93 SER HA 4.300 . 6.000 4.896 4.561 5.102 . 0 0 "[ . 1 . 2 ]" 1 632 1 75 HIS HD1 1 96 THR HG1 4.300 . 6.000 5.353 5.126 5.591 . 0 0 "[ . 1 . 2 ]" 1 633 1 76 TYR H 1 77 ILE MD 4.300 . 6.000 3.918 3.397 5.605 . 0 0 "[ . 1 . 2 ]" 1 634 1 76 TYR H 1 91 LEU H 4.300 . 6.000 4.902 4.551 5.290 . 0 0 "[ . 1 . 2 ]" 1 635 1 76 TYR H 1 92 ASP H 3.000 . 5.000 4.109 3.739 4.709 . 0 0 "[ . 1 . 2 ]" 1 636 1 76 TYR H 1 93 SER HA 3.000 . 5.000 2.833 2.625 3.068 . 0 0 "[ . 1 . 2 ]" 1 637 1 76 TYR QB 1 91 LEU QB 4.300 . 6.000 3.970 3.364 6.012 0.012 7 0 "[ . 1 . 2 ]" 1 638 1 76 TYR QB 1 91 LEU QD 3.000 . 5.000 4.758 4.261 5.010 0.010 2 0 "[ . 1 . 2 ]" 1 639 1 76 TYR QB 1 92 ASP H 4.300 . 6.000 3.229 2.956 3.935 . 0 0 "[ . 1 . 2 ]" 1 640 1 76 TYR QB 1 92 ASP QB 4.300 . 6.000 3.506 3.085 3.734 . 0 0 "[ . 1 . 2 ]" 1 641 1 76 TYR QB 1 93 SER HA 4.300 . 6.000 3.922 3.812 4.098 . 0 0 "[ . 1 . 2 ]" 1 642 1 76 TYR QD 1 92 ASP H 3.000 . 5.000 4.513 4.298 5.012 0.012 13 0 "[ . 1 . 2 ]" 1 643 1 76 TYR QD 1 92 ASP QB 2.200 . 3.000 3.035 3.000 3.058 0.058 1 0 "[ . 1 . 2 ]" 1 644 1 76 TYR QD 1 93 SER HA 2.200 . 3.000 3.086 3.017 3.136 0.136 13 0 "[ . 1 . 2 ]" 1 645 1 76 TYR QD 1 93 SER QB 4.300 . 6.000 3.446 3.257 3.551 . 0 0 "[ . 1 . 2 ]" 1 646 1 76 TYR QD 1 94 GLN H 3.000 . 5.000 4.121 3.955 4.302 . 0 0 "[ . 1 . 2 ]" 1 647 1 76 TYR QD 1 94 GLN QG 3.000 . 5.000 4.930 4.695 5.080 0.080 12 0 "[ . 1 . 2 ]" 1 648 1 76 TYR QE 1 92 ASP QB 3.000 . 5.000 4.190 3.991 4.575 . 0 0 "[ . 1 . 2 ]" 1 649 1 76 TYR QE 1 93 SER H 4.300 . 6.000 4.923 4.768 5.180 . 0 0 "[ . 1 . 2 ]" 1 650 1 76 TYR QE 1 93 SER HA 3.000 . 5.000 2.883 2.813 3.031 . 0 0 "[ . 1 . 2 ]" 1 651 1 76 TYR QE 1 93 SER QB 3.000 . 3.000 3.250 3.210 3.295 0.295 2 0 "[ . 1 . 2 ]" 1 652 1 76 TYR QE 1 94 GLN H 3.000 . 5.000 2.659 2.362 2.894 . 0 0 "[ . 1 . 2 ]" 1 653 1 76 TYR QE 1 94 GLN QB 2.200 . 3.000 3.045 3.016 3.080 0.080 19 0 "[ . 1 . 2 ]" 1 654 1 76 TYR QE 1 94 GLN QG 2.200 . 3.000 3.019 2.926 3.079 0.079 8 0 "[ . 1 . 2 ]" 1 655 1 76 TYR QE 1 96 THR HG1 3.000 . 5.000 2.990 2.945 3.047 . 0 0 "[ . 1 . 2 ]" 1 656 1 76 TYR QE 1 96 THR MG 2.200 . 3.000 3.001 2.969 3.055 0.055 14 0 "[ . 1 . 2 ]" 1 657 1 77 ILE HA 1 91 LEU H 3.000 . 5.000 2.767 2.122 3.358 . 0 0 "[ . 1 . 2 ]" 1 658 1 77 ILE MD 1 91 LEU H 4.300 . 5.000 4.572 4.036 5.040 0.040 2 0 "[ . 1 . 2 ]" 1 659 1 77 ILE QG 1 78 SER QB 4.300 . 6.000 3.648 3.395 4.039 . 0 0 "[ . 1 . 2 ]" 1 660 1 77 ILE QG 1 79 VAL H 4.300 . 6.000 4.068 3.580 4.457 . 0 0 "[ . 1 . 2 ]" 1 661 1 77 ILE QG 1 88 GLU HA 4.300 . 6.000 2.132 1.901 2.663 . 0 0 "[ . 1 . 2 ]" 1 662 1 77 ILE QG 1 88 GLU QB 3.000 . 5.000 2.319 1.807 3.254 . 0 0 "[ . 1 . 2 ]" 1 663 1 77 ILE QG 1 88 GLU QG 3.000 . 5.000 3.331 1.965 4.102 . 0 0 "[ . 1 . 2 ]" 1 664 1 77 ILE QG 1 89 THR MG 3.000 . 5.000 3.765 2.793 4.167 . 0 0 "[ . 1 . 2 ]" 1 665 1 77 ILE QG 1 90 VAL HA 3.000 . 5.000 2.408 1.920 2.838 . 0 0 "[ . 1 . 2 ]" 1 666 1 77 ILE QG 1 91 LEU H 4.300 . 6.000 3.532 3.031 4.295 . 0 0 "[ . 1 . 2 ]" 1 667 1 77 ILE HG12 1 90 VAL HA 4.300 . 6.000 3.861 2.171 4.454 . 0 0 "[ . 1 . 2 ]" 1 668 1 77 ILE MG 1 79 VAL H 3.000 . 5.000 4.102 3.597 4.507 . 0 0 "[ . 1 . 2 ]" 1 669 1 77 ILE MG 1 89 THR H 3.000 . 5.000 2.020 1.881 2.567 . 0 0 "[ . 1 . 2 ]" 1 670 1 78 SER H 1 79 VAL H 3.000 . 5.000 4.336 4.088 4.479 . 0 0 "[ . 1 . 2 ]" 1 671 1 78 SER H 1 91 LEU H 3.000 . 5.000 4.077 3.338 4.914 . 0 0 "[ . 1 . 2 ]" 1 672 1 78 SER H 1 91 LEU QD 4.300 . 6.000 3.083 1.946 3.612 . 0 0 "[ . 1 . 2 ]" 1 673 1 78 SER HA 1 79 VAL H 3.000 . 3.000 2.152 2.138 2.197 . 0 0 "[ . 1 . 2 ]" 1 674 1 78 SER HA 1 79 VAL HB 4.300 . 6.000 5.080 4.530 5.732 . 0 0 "[ . 1 . 2 ]" 1 675 1 78 SER QB 1 79 VAL H 4.300 . 5.000 3.589 3.192 3.932 . 0 0 "[ . 1 . 2 ]" 1 676 1 78 SER QB 1 89 THR HB 3.000 . 5.000 4.284 3.012 5.001 0.001 6 0 "[ . 1 . 2 ]" 1 677 1 78 SER QB 1 89 THR HG1 3.000 . 5.000 3.867 2.269 4.635 . 0 0 "[ . 1 . 2 ]" 1 678 1 78 SER QB 1 89 THR MG 3.000 . 5.000 3.958 2.275 4.685 . 0 0 "[ . 1 . 2 ]" 1 679 1 78 SER QB 1 91 LEU QD 3.000 . 5.000 1.949 1.794 2.496 0.006 2 0 "[ . 1 . 2 ]" 1 680 1 78 SER QB 1 91 LEU HG 3.000 . 5.000 3.017 1.844 4.969 . 0 0 "[ . 1 . 2 ]" 1 681 1 79 VAL H 1 80 LEU H 3.000 . 5.000 4.298 4.133 4.483 . 0 0 "[ . 1 . 2 ]" 1 682 1 79 VAL HA 1 80 LEU H 2.200 . 3.000 2.171 2.139 2.201 . 0 0 "[ . 1 . 2 ]" 1 683 1 79 VAL HA 1 87 THR H 3.000 . 5.000 4.267 3.726 4.942 . 0 0 "[ . 1 . 2 ]" 1 684 1 79 VAL HA 1 89 THR H 3.000 . 5.000 4.655 3.635 5.006 0.006 3 0 "[ . 1 . 2 ]" 1 685 1 79 VAL HB 1 80 LEU H 3.000 . 5.000 4.141 3.648 4.461 . 0 0 "[ . 1 . 2 ]" 1 686 1 80 LEU H 1 81 THR H 3.000 . 5.000 4.216 3.771 4.520 . 0 0 "[ . 1 . 2 ]" 1 687 1 80 LEU H 1 86 THR HA 3.000 . 5.000 4.108 3.532 4.641 . 0 0 "[ . 1 . 2 ]" 1 688 1 80 LEU H 1 86 THR HB 4.300 . 6.000 5.398 4.145 6.003 0.003 20 0 "[ . 1 . 2 ]" 1 689 1 80 LEU H 1 86 THR MG 3.000 . 5.000 3.866 2.881 4.717 . 0 0 "[ . 1 . 2 ]" 1 690 1 80 LEU H 1 87 THR H 3.000 . 5.000 3.151 2.743 4.146 . 0 0 "[ . 1 . 2 ]" 1 691 1 80 LEU H 1 87 THR HA 4.300 . 6.000 5.371 4.881 5.943 . 0 0 "[ . 1 . 2 ]" 1 692 1 80 LEU H 1 87 THR HB 3.000 . 5.000 4.250 2.857 5.000 . 0 0 "[ . 1 . 2 ]" 1 693 1 80 LEU H 1 88 GLU HA 3.000 . 5.000 4.878 4.352 5.004 0.004 20 0 "[ . 1 . 2 ]" 1 694 1 80 LEU H 1 89 THR H 3.000 . 5.000 4.988 4.723 5.002 0.002 21 0 "[ . 1 . 2 ]" 1 695 1 80 LEU QB 1 81 THR H 4.300 . 5.000 3.677 3.046 3.996 . 0 0 "[ . 1 . 2 ]" 1 696 1 80 LEU QB 1 87 THR H 4.300 . 5.000 3.826 3.245 4.739 . 0 0 "[ . 1 . 2 ]" 1 697 1 80 LEU QB 1 87 THR HB 4.300 . 5.000 3.794 2.009 5.001 0.001 1 0 "[ . 1 . 2 ]" 1 698 1 80 LEU QD 1 81 THR H 4.300 . 5.000 3.117 1.936 4.347 . 0 0 "[ . 1 . 2 ]" 1 699 1 80 LEU HG 1 81 THR H 4.300 . 6.000 4.250 2.197 5.729 . 0 0 "[ . 1 . 2 ]" 1 700 1 81 THR H 1 87 THR H 4.300 . 6.000 5.244 4.573 5.921 . 0 0 "[ . 1 . 2 ]" 1 701 1 81 THR HA 1 82 GLU H 3.000 . 3.000 2.180 2.139 2.246 . 0 0 "[ . 1 . 2 ]" 1 702 1 81 THR HA 1 85 LYS H 3.000 . 5.000 3.384 2.724 3.960 . 0 0 "[ . 1 . 2 ]" 1 703 1 81 THR HA 1 87 THR H 3.000 . 5.000 3.989 3.020 4.773 . 0 0 "[ . 1 . 2 ]" 1 704 1 81 THR HB 1 82 GLU H 3.000 . 5.000 4.011 3.197 4.434 . 0 0 "[ . 1 . 2 ]" 1 705 1 81 THR HB 1 85 LYS H 3.000 . 5.000 4.498 3.062 5.002 0.002 1 0 "[ . 1 . 2 ]" 1 706 1 81 THR MG 1 82 GLU H 3.000 . 5.000 3.394 2.187 4.159 . 0 0 "[ . 1 . 2 ]" 1 707 1 81 THR MG 1 84 GLY H 3.000 . 5.000 3.547 2.255 4.606 . 0 0 "[ . 1 . 2 ]" 1 708 1 81 THR MG 1 84 GLY QA 3.000 . 5.000 3.275 2.514 4.585 . 0 0 "[ . 1 . 2 ]" 1 709 1 81 THR MG 1 85 LYS H 3.000 . 5.000 3.102 1.970 4.477 . 0 0 "[ . 1 . 2 ]" 1 710 1 82 GLU H 1 85 LYS H 3.000 . 5.000 2.598 2.194 3.443 . 0 0 "[ . 1 . 2 ]" 1 711 1 82 GLU H 1 85 LYS QG 4.300 . 6.000 4.768 1.987 5.519 . 0 0 "[ . 1 . 2 ]" 1 712 1 82 GLU H 1 86 THR H 4.300 . 6.000 4.929 4.546 5.403 . 0 0 "[ . 1 . 2 ]" 1 713 1 82 GLU H 1 87 THR H 3.000 . 5.000 4.409 3.425 5.002 0.002 11 0 "[ . 1 . 2 ]" 1 714 1 82 GLU HA 1 85 LYS H 3.000 . 5.000 4.381 4.197 4.633 . 0 0 "[ . 1 . 2 ]" 1 715 1 82 GLU QB 1 87 THR H 4.300 . 6.000 5.000 3.547 5.847 . 0 0 "[ . 1 . 2 ]" 1 716 1 82 GLU QG 1 83 ASN QD 4.300 . 6.000 4.021 2.223 5.576 . 0 0 "[ . 1 . 2 ]" 1 717 1 82 GLU QG 1 83 ASN HD22 4.300 . 6.000 4.849 2.946 6.001 0.001 20 0 "[ . 1 . 2 ]" 1 718 1 83 ASN HA 1 84 GLY H 3.000 . 5.000 2.914 2.733 3.569 . 0 0 "[ . 1 . 2 ]" 1 719 1 83 ASN HA 1 85 LYS H 3.000 . 5.000 4.900 4.606 5.004 0.004 11 0 "[ . 1 . 2 ]" 1 720 1 83 ASN QB 1 84 GLY H 3.000 . 5.000 3.752 1.968 4.052 . 0 0 "[ . 1 . 2 ]" 1 721 1 83 ASN QB 1 85 LYS H 4.300 . 6.000 4.471 3.822 5.434 . 0 0 "[ . 1 . 2 ]" 1 722 1 84 GLY H 1 85 LYS H 3.000 . 5.000 2.492 2.257 2.746 . 0 0 "[ . 1 . 2 ]" 1 723 1 84 GLY H 1 85 LYS QB 4.300 . 6.000 4.386 3.448 5.011 . 0 0 "[ . 1 . 2 ]" 1 724 1 84 GLY QA 1 85 LYS H 4.300 . 5.000 2.711 2.638 2.814 . 0 0 "[ . 1 . 2 ]" 1 725 1 85 LYS H 1 86 THR H 3.000 . 5.000 4.124 3.788 4.463 . 0 0 "[ . 1 . 2 ]" 1 726 1 85 LYS H 1 87 THR H 4.300 . 6.000 5.875 5.115 6.002 0.002 16 0 "[ . 1 . 2 ]" 1 727 1 85 LYS HA 1 86 THR H 3.000 . 5.000 2.208 2.139 2.435 . 0 0 "[ . 1 . 2 ]" 1 728 1 86 THR H 1 87 THR H 3.000 . 5.000 4.360 3.954 4.544 . 0 0 "[ . 1 . 2 ]" 1 729 1 86 THR HA 1 87 THR H 3.000 . 3.000 2.155 2.138 2.253 . 0 0 "[ . 1 . 2 ]" 1 730 1 87 THR H 1 88 GLU H 3.000 . 5.000 4.468 4.103 4.624 . 0 0 "[ . 1 . 2 ]" 1 731 1 88 GLU HA 1 89 THR H 2.200 . 3.000 2.185 2.136 2.301 . 0 0 "[ . 1 . 2 ]" 1 732 1 88 GLU QB 1 89 THR H 3.000 . 5.000 3.590 3.275 3.911 . 0 0 "[ . 1 . 2 ]" 1 733 1 88 GLU QG 1 89 THR H 3.000 . 5.000 4.398 3.549 4.930 . 0 0 "[ . 1 . 2 ]" 1 734 1 89 THR HA 1 90 VAL H 2.200 . 3.000 2.150 2.143 2.187 . 0 0 "[ . 1 . 2 ]" 1 735 1 89 THR HB 1 91 LEU QD 3.000 . 5.000 3.878 3.132 5.004 0.004 19 0 "[ . 1 . 2 ]" 1 736 1 89 THR HG1 1 90 VAL H 3.000 . 5.000 2.933 2.620 3.692 . 0 0 "[ . 1 . 2 ]" 1 737 1 89 THR HG1 1 91 LEU H 4.300 . 6.000 4.823 4.352 5.168 . 0 0 "[ . 1 . 2 ]" 1 738 1 89 THR HG1 1 91 LEU HA 3.000 . 5.000 4.240 3.999 4.628 . 0 0 "[ . 1 . 2 ]" 1 739 1 89 THR HG1 1 91 LEU QD 2.200 . 3.000 2.755 2.392 2.901 . 0 0 "[ . 1 . 2 ]" 1 740 1 89 THR MG 1 90 VAL H 3.000 . 5.000 3.086 2.636 4.073 . 0 0 "[ . 1 . 2 ]" 1 741 1 89 THR MG 1 91 LEU H 4.300 . 6.000 4.887 4.580 5.209 . 0 0 "[ . 1 . 2 ]" 1 742 1 89 THR MG 1 91 LEU HA 3.000 . 5.000 4.285 4.028 4.739 . 0 0 "[ . 1 . 2 ]" 1 743 1 89 THR MG 1 91 LEU QD 2.200 . 3.000 2.768 2.397 2.910 . 0 0 "[ . 1 . 2 ]" 1 744 1 90 VAL H 1 91 LEU H 4.300 . 6.000 4.561 4.454 4.648 . 0 0 "[ . 1 . 2 ]" 1 745 1 90 VAL HA 1 92 ASP H 4.300 . 5.000 4.420 3.692 5.017 0.017 2 0 "[ . 1 . 2 ]" 1 746 1 91 LEU H 1 92 ASP H 3.000 . 5.000 2.385 1.923 2.891 . 0 0 "[ . 1 . 2 ]" 1 747 1 91 LEU H 1 93 SER H 4.300 . 6.000 5.797 5.183 6.006 0.006 3 0 "[ . 1 . 2 ]" 1 748 1 91 LEU HA 1 92 ASP H 3.000 . 5.000 3.555 3.270 3.577 . 0 0 "[ . 1 . 2 ]" 1 749 1 91 LEU QB 1 92 ASP H 3.000 . 5.000 2.282 1.966 3.826 . 0 0 "[ . 1 . 2 ]" 1 750 1 91 LEU QD 1 92 ASP H 3.000 . 5.000 3.630 3.102 3.943 . 0 0 "[ . 1 . 2 ]" 1 751 1 91 LEU HG 1 92 ASP H 4.300 . 6.000 4.512 3.270 4.931 . 0 0 "[ . 1 . 2 ]" 1 752 1 92 ASP H 1 93 SER H 3.000 . 5.000 4.214 3.821 4.365 . 0 0 "[ . 1 . 2 ]" 1 753 1 92 ASP H 1 93 SER HA 4.300 . 6.000 4.860 4.751 5.147 . 0 0 "[ . 1 . 2 ]" 1 754 1 92 ASP H 1 93 SER QB 4.300 . 6.000 4.638 3.885 5.511 . 0 0 "[ . 1 . 2 ]" 1 755 1 92 ASP HA 1 93 SER H 2.200 . 3.000 2.184 2.131 2.225 . 0 0 "[ . 1 . 2 ]" 1 756 1 92 ASP QB 1 93 SER H 4.300 . 5.000 3.474 2.897 3.853 . 0 0 "[ . 1 . 2 ]" 1 757 1 93 SER H 1 94 GLN H 3.000 . 5.000 4.331 4.122 4.380 . 0 0 "[ . 1 . 2 ]" 1 758 1 93 SER HA 1 94 GLN H 3.000 . 3.000 2.240 2.106 2.353 . 0 0 "[ . 1 . 2 ]" 1 759 1 93 SER HA 1 94 GLN QG 4.300 . 6.000 4.248 3.788 4.509 . 0 0 "[ . 1 . 2 ]" 1 760 1 93 SER QB 1 94 GLN H 3.000 . 5.000 2.664 2.315 3.205 . 0 0 "[ . 1 . 2 ]" 1 761 1 94 GLN H 1 96 THR MG 3.000 . 5.000 3.563 3.389 3.798 . 0 0 "[ . 1 . 2 ]" 1 762 1 94 GLN QB 1 96 THR HG1 3.000 . 5.000 2.928 2.422 3.595 . 0 0 "[ . 1 . 2 ]" 1 763 1 94 GLN QB 1 96 THR MG 3.000 . 5.000 2.933 2.424 3.603 . 0 0 "[ . 1 . 2 ]" 1 764 1 94 GLN HE22 1 95 VAL H 4.300 . 6.000 5.096 3.631 5.972 . 0 0 "[ . 1 . 2 ]" 1 765 1 94 GLN QG 1 96 THR HG1 3.000 . 5.000 3.926 1.745 4.715 0.055 8 0 "[ . 1 . 2 ]" 1 766 1 94 GLN QG 1 96 THR MG 4.300 . 6.000 3.940 1.746 4.736 0.054 8 0 "[ . 1 . 2 ]" 1 767 1 95 VAL H 1 96 THR H 4.300 . 6.000 4.281 4.232 4.413 . 0 0 "[ . 1 . 2 ]" 1 768 1 95 VAL H 1 97 LYS H 4.300 . 6.000 6.049 5.954 6.087 0.087 11 0 "[ . 1 . 2 ]" 1 769 1 95 VAL HA 1 96 THR H 3.000 . 5.000 2.149 2.123 2.173 . 0 0 "[ . 1 . 2 ]" 1 770 1 95 VAL HA 1 97 LYS H 3.000 . 5.000 4.728 4.523 4.776 . 0 0 "[ . 1 . 2 ]" 1 771 1 95 VAL HB 1 96 THR H 3.000 . 5.000 4.224 3.690 4.439 . 0 0 "[ . 1 . 2 ]" 1 772 1 95 VAL QG 1 96 THR H 3.000 . 5.000 3.168 2.864 3.682 . 0 0 "[ . 1 . 2 ]" 1 773 1 96 THR H 1 97 LYS H 3.000 . 5.000 3.644 3.438 3.718 . 0 0 "[ . 1 . 2 ]" 1 774 1 96 THR HG1 1 97 LYS H 3.000 . 5.000 3.983 3.894 4.190 . 0 0 "[ . 1 . 2 ]" 1 775 1 97 LYS QG 1 98 GLU H 3.000 . 5.000 4.300 3.519 4.697 . 0 0 "[ . 1 . 2 ]" 1 776 1 98 GLU HA 1 99 VAL H 2.200 . 3.000 2.159 2.132 2.190 . 0 0 "[ . 1 . 2 ]" 1 777 1 99 VAL HA 1 100 ILE H 3.000 . 3.000 2.132 2.101 2.159 . 0 0 "[ . 1 . 2 ]" 1 778 1 99 VAL HA 1 100 ILE HB 4.300 . 6.000 4.667 4.570 4.741 . 0 0 "[ . 1 . 2 ]" 1 779 1 99 VAL HA 1 100 ILE QG 4.300 . 6.000 3.915 3.492 4.363 . 0 0 "[ . 1 . 2 ]" 1 780 1 99 VAL HA 1 101 ASN H 4.300 . 6.000 5.895 5.576 6.006 0.006 5 0 "[ . 1 . 2 ]" 1 781 1 99 VAL HB 1 100 ILE H 3.000 . 5.000 4.367 4.151 4.452 . 0 0 "[ . 1 . 2 ]" 1 782 1 99 VAL QG 1 100 ILE H 3.000 . 5.000 2.846 2.607 3.009 . 0 0 "[ . 1 . 2 ]" 1 783 1 99 VAL QG 1 101 ASN HD22 4.300 . 6.000 4.034 3.777 4.467 . 0 0 "[ . 1 . 2 ]" 1 784 1 99 VAL MG1 1 101 ASN QD 4.300 . 6.000 4.148 3.821 4.572 . 0 0 "[ . 1 . 2 ]" 1 785 1 99 VAL MG1 1 101 ASN HD22 4.300 . 6.000 4.307 3.987 4.772 . 0 0 "[ . 1 . 2 ]" 1 786 1 100 ILE H 1 101 ASN H 3.000 . 5.000 4.523 4.362 4.574 . 0 0 "[ . 1 . 2 ]" 1 787 1 100 ILE HA 1 101 ASN H 3.000 . 5.000 2.148 2.117 2.161 . 0 0 "[ . 1 . 2 ]" 1 788 1 100 ILE MD 1 101 ASN H 3.000 . 5.000 4.404 3.573 5.067 0.067 2 0 "[ . 1 . 2 ]" 1 789 1 100 ILE QG 1 101 ASN H 3.000 . 5.000 2.590 2.256 3.026 . 0 0 "[ . 1 . 2 ]" 1 790 1 101 ASN H 1 102 GLN H 4.300 . 5.000 4.532 4.450 4.575 . 0 0 "[ . 1 . 2 ]" 1 791 1 101 ASN HA 1 102 GLN H 3.000 . 5.000 2.199 2.150 2.383 . 0 0 "[ . 1 . 2 ]" 1 792 1 101 ASN QB 1 102 GLN H 3.000 . 5.000 3.028 2.440 3.292 . 0 0 "[ . 1 . 2 ]" 1 793 1 101 ASN QD 1 102 GLN H 4.300 . 6.000 4.502 3.495 5.187 . 0 0 "[ . 1 . 2 ]" 1 794 1 101 ASN HD22 1 102 GLN H 4.300 . 6.000 5.594 4.892 5.992 . 0 0 "[ . 1 . 2 ]" 1 795 1 102 GLN H 1 103 VAL H 3.000 . 5.000 4.399 4.247 4.629 . 0 0 "[ . 1 . 2 ]" 1 796 1 102 GLN HA 1 103 VAL H 3.000 . 5.000 2.183 2.138 2.275 . 0 0 "[ . 1 . 2 ]" 1 797 1 102 GLN QB 1 103 VAL H 3.000 . 5.000 3.806 3.468 3.976 . 0 0 "[ . 1 . 2 ]" 1 798 1 102 GLN QG 1 103 VAL H 3.000 . 5.000 3.101 1.979 4.329 . 0 0 "[ . 1 . 2 ]" 1 799 1 103 VAL H 1 104 VAL H 4.300 . 6.000 4.146 3.909 4.408 . 0 0 "[ . 1 . 2 ]" 1 800 1 103 VAL HA 1 104 VAL H 2.200 . 3.000 2.181 2.139 2.195 . 0 0 "[ . 1 . 2 ]" 1 801 1 103 VAL QG 1 104 VAL H 3.000 . 5.000 3.152 2.668 3.697 . 0 0 "[ . 1 . 2 ]" 1 802 1 104 VAL H 1 105 GLU HA 4.300 . 6.000 4.836 4.676 4.942 . 0 0 "[ . 1 . 2 ]" 1 803 1 105 GLU H 1 106 VAL H 3.000 . 5.000 4.323 4.032 4.559 . 0 0 "[ . 1 . 2 ]" 1 804 1 105 GLU HA 1 106 VAL H 2.200 . 3.000 2.168 2.141 2.319 . 0 0 "[ . 1 . 2 ]" 1 805 1 105 GLU QB 1 106 VAL H 3.000 . 5.000 3.311 2.620 3.503 . 0 0 "[ . 1 . 2 ]" 1 806 1 105 GLU QG 1 106 VAL H 3.000 . 5.000 4.507 3.992 4.889 . 0 0 "[ . 1 . 2 ]" 1 807 1 106 VAL HA 1 107 GLY H 2.200 . 3.000 2.205 2.145 2.369 . 0 0 "[ . 1 . 2 ]" 1 808 1 106 VAL HA 1 107 GLY QA 4.300 . 6.000 3.901 3.890 3.928 . 0 0 "[ . 1 . 2 ]" 1 809 1 106 VAL HB 1 107 GLY H 3.000 . 5.000 3.744 2.467 4.303 . 0 0 "[ . 1 . 2 ]" 1 810 1 107 GLY H 1 108 ALA H 3.000 . 5.000 4.539 4.134 4.636 . 0 0 "[ . 1 . 2 ]" 1 811 1 107 GLY QA 1 108 ALA H 2.200 . 3.000 2.147 2.109 2.258 . 0 0 "[ . 1 . 2 ]" 1 812 1 108 ALA H 1 109 PRO QD 3.000 . 5.000 3.787 2.189 4.414 . 0 0 "[ . 1 . 2 ]" 1 813 1 108 ALA HA 1 109 PRO QD 3.000 . 3.000 2.056 1.831 2.311 . 0 0 "[ . 1 . 2 ]" 1 814 1 108 ALA MB 1 109 PRO QD 3.000 . 5.000 2.710 1.963 3.575 . 0 0 "[ . 1 . 2 ]" 1 stop_ save_
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