NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
525807 | 2lbf | 17557 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbf 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 1346 _Distance_constraint_stats_list.Viol_count 2743 _Distance_constraint_stats_list.Viol_total 3152.281 _Distance_constraint_stats_list.Viol_max 1.138 _Distance_constraint_stats_list.Viol_rms 0.0741 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0234 _Distance_constraint_stats_list.Viol_average_violations_only 0.1149 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 MET 1.369 0.670 6 1 "[ .+ 1]" 1 2 ALA 2.511 0.152 3 0 "[ . 1]" 1 3 SER 0.175 0.111 5 0 "[ . 1]" 1 4 VAL 6.685 0.366 2 0 "[ . 1]" 1 5 SER 0.131 0.075 1 0 "[ . 1]" 1 6 GLU 0.327 0.111 5 0 "[ . 1]" 1 7 LEU 14.250 0.337 10 0 "[ . 1]" 1 8 ALA 0.079 0.047 4 0 "[ . 1]" 1 9 CYS 2.194 0.178 10 0 "[ . 1]" 1 10 ILE 7.183 0.245 9 0 "[ . 1]" 1 11 TYR 26.467 1.138 8 10 [*******+-*] 1 12 SER 1.396 0.150 1 0 "[ . 1]" 1 13 ALA 2.641 0.171 2 0 "[ . 1]" 1 14 LEU 22.281 1.138 8 10 [*******+-*] 1 15 ILE 7.874 0.821 4 1 "[ +. 1]" 1 16 LEU 5.055 0.173 1 0 "[ . 1]" 1 17 HIS 2.779 0.251 1 0 "[ . 1]" 1 18 ASP 0.169 0.059 1 0 "[ . 1]" 1 19 ASP 2.684 0.180 7 0 "[ . 1]" 1 20 GLU 1.811 0.235 10 0 "[ . 1]" 1 21 VAL 2.911 0.180 7 0 "[ . 1]" 1 22 THR 5.181 0.248 2 0 "[ . 1]" 1 23 VAL 3.501 0.145 5 0 "[ . 1]" 1 24 THR 1.893 0.110 2 0 "[ . 1]" 1 25 GLU 4.165 0.881 1 3 "[+ .*- 1]" 1 26 ASP 1.551 0.199 9 0 "[ . 1]" 1 27 LYS 3.014 0.196 1 0 "[ . 1]" 1 28 ILE 0.000 0.000 . 0 "[ . 1]" 1 29 ASN 2.849 0.881 1 3 "[+ .*- 1]" 1 30 ALA 0.125 0.032 7 0 "[ . 1]" 1 31 LEU 0.101 0.028 9 0 "[ . 1]" 1 32 ILE 0.383 0.140 3 0 "[ . 1]" 1 33 LYS 5.206 0.720 7 1 "[ . + 1]" 1 34 ALA 0.008 0.008 4 0 "[ . 1]" 1 35 ALA 0.330 0.127 3 0 "[ . 1]" 1 36 GLY 0.000 0.000 . 0 "[ . 1]" 1 37 VAL 12.074 0.821 4 1 "[ +. 1]" 1 38 ASN 2.274 0.151 10 0 "[ . 1]" 1 39 VAL 5.721 0.283 7 0 "[ . 1]" 1 40 GLU 6.534 0.669 4 2 "[ +.- 1]" 1 41 PRO 3.331 0.627 4 2 "[ +.- 1]" 1 42 PHE 3.001 0.669 4 2 "[ +.- 1]" 1 43 TRP 4.778 0.236 2 0 "[ . 1]" 1 44 PRO 0.447 0.140 3 0 "[ . 1]" 1 45 GLY 0.000 0.000 . 0 "[ . 1]" 1 46 LEU 1.987 0.172 6 0 "[ . 1]" 1 47 PHE 11.536 0.553 4 3 "[- +. * 1]" 1 48 ALA 2.166 0.236 6 0 "[ . 1]" 1 49 LYS 16.222 0.823 9 10 [*-******+*] 1 50 ALA 0.000 0.000 . 0 "[ . 1]" 1 51 LEU 12.693 0.553 4 3 "[- +. * 1]" 1 52 ALA 0.024 0.024 2 0 "[ . 1]" 1 53 ASN 0.054 0.021 5 0 "[ . 1]" 1 54 VAL 1.258 0.191 6 0 "[ . 1]" 1 55 ASN 3.205 0.472 6 0 "[ . 1]" 1 56 ILE 9.573 0.337 2 0 "[ . 1]" 1 57 GLY 0.257 0.136 7 0 "[ . 1]" 1 58 SER 4.218 0.472 6 0 "[ . 1]" 1 59 LEU 7.963 0.553 4 1 "[ +. 1]" 1 60 ILE 5.419 0.296 6 0 "[ . 1]" 1 61 CYS 3.952 0.232 2 0 "[ . 1]" 1 62 ASN 3.465 0.232 2 0 "[ . 1]" 1 63 VAL 0.971 0.223 1 0 "[ . 1]" 1 64 GLY 0.327 0.104 1 0 "[ . 1]" 1 65 ALA 0.064 0.032 8 0 "[ . 1]" 1 66 GLY 0.000 0.000 . 0 "[ . 1]" 1 67 GLY 0.000 0.000 . 0 "[ . 1]" 1 68 PRO 0.000 0.000 . 0 "[ . 1]" 2 2 MET 3.560 0.251 1 0 "[ . 1]" 2 3 ARG 0.000 0.000 . 0 "[ . 1]" 2 4 TYR 5.550 0.546 8 2 "[ . + -]" 2 5 VAL 4.977 0.743 10 1 "[ . +]" 2 6 ALA 2.062 0.196 10 0 "[ . 1]" 2 7 SER 0.476 0.081 4 0 "[ . 1]" 2 8 TYR 4.470 0.285 1 0 "[ . 1]" 2 9 LEU 6.113 0.474 7 0 "[ . 1]" 2 10 LEU 14.337 0.821 4 1 "[ +. 1]" 2 11 ALA 8.139 0.272 8 0 "[ . 1]" 2 12 ALA 4.464 0.244 9 0 "[ . 1]" 2 13 LEU 20.070 1.138 8 10 [*******+-*] 2 14 GLY 2.625 0.387 5 0 "[ . 1]" 2 15 GLY 1.714 0.223 6 0 "[ . 1]" 2 16 ASN 6.982 0.272 8 0 "[ . 1]" 2 17 SER 4.137 0.301 2 0 "[ . 1]" 2 18 SER 8.313 0.439 10 0 "[ . 1]" 2 19 PRO 8.535 0.494 4 0 "[ . 1]" 2 20 SER 5.018 0.517 1 2 "[+ - 1]" 2 21 ALA 3.381 0.180 3 0 "[ . 1]" 2 22 LYS 13.024 0.517 1 2 "[+ - 1]" 2 23 ASP 2.197 0.494 4 0 "[ . 1]" 2 24 ILE 0.132 0.038 6 0 "[ . 1]" 2 25 LYS 10.000 0.985 6 8 "[**-*.+* **]" 2 26 LYS 6.884 0.538 1 1 "[+ . 1]" 2 27 ILE 2.482 0.258 6 0 "[ . 1]" 2 28 LEU 0.045 0.035 6 0 "[ . 1]" 2 29 ASP 0.452 0.097 3 0 "[ . 1]" 2 30 SER 0.300 0.235 3 0 "[ . 1]" 2 31 VAL 2.033 0.173 1 0 "[ . 1]" 2 32 GLY 0.000 0.000 . 0 "[ . 1]" 2 33 ILE 0.783 0.113 8 0 "[ . 1]" 2 34 GLU 1.378 0.214 3 0 "[ . 1]" 2 35 ALA 2.371 0.798 6 1 "[ .+ 1]" 2 36 ASP 1.058 0.205 10 0 "[ . 1]" 2 37 ASP 1.655 0.174 5 0 "[ . 1]" 2 38 ASP 4.430 0.256 8 0 "[ . 1]" 2 39 ARG 4.412 0.205 10 0 "[ . 1]" 2 40 LEU 10.264 0.256 8 0 "[ . 1]" 2 41 ASN 2.627 0.264 3 0 "[ . 1]" 2 42 LYS 3.998 0.264 3 0 "[ . 1]" 2 43 VAL 5.992 0.546 8 2 "[ . + -]" 2 44 ILE 10.127 0.285 1 0 "[ . 1]" 2 45 SER 3.809 0.169 9 0 "[ . 1]" 2 46 GLU 0.848 0.257 4 0 "[ . 1]" 2 47 LEU 7.352 0.743 10 4 "[ - ** +]" 2 48 ASN 1.705 0.142 4 0 "[ . 1]" 2 49 GLY 0.206 0.075 9 0 "[ . 1]" 2 50 LYS 4.117 0.691 8 3 "[ - *+ 1]" 2 51 ASN 0.295 0.120 6 0 "[ . 1]" 2 52 ILE 6.004 0.177 9 0 "[ . 1]" 2 53 GLU 5.605 0.388 6 0 "[ . 1]" 2 54 ASP 3.722 0.670 6 1 "[ .+ 1]" 2 55 VAL 5.272 0.231 7 0 "[ . 1]" 2 56 ILE 4.390 0.158 8 0 "[ . 1]" 2 57 ALA 2.901 0.342 1 0 "[ . 1]" 2 58 GLN 2.051 0.207 10 0 "[ . 1]" 2 59 GLY 0.000 0.000 . 0 "[ . 1]" 2 60 ILE 11.877 0.296 6 0 "[ . 1]" 2 61 GLY 0.000 0.000 . 0 "[ . 1]" 2 62 LYS 9.409 0.773 6 3 "[ *+ -1]" 2 63 LEU 4.330 0.263 9 0 "[ . 1]" 2 64 ALA 3.004 0.184 1 0 "[ . 1]" 2 65 SER 2.370 0.249 5 0 "[ . 1]" 2 66 VAL 2.489 0.263 9 0 "[ . 1]" 2 67 PRO 7.286 0.274 9 0 "[ . 1]" 2 68 ALA 2.843 0.241 8 0 "[ . 1]" 2 69 GLY 0.237 0.122 4 0 "[ . 1]" 2 70 GLY 0.237 0.122 4 0 "[ . 1]" 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 2 ALA MB 1 3 SER H 2.651 . 2.906 2.562 2.044 2.924 0.018 10 0 "[ . 1]" 1 2 1 3 SER H 1 6 GLU QG 3.029 . 4.176 3.761 3.367 4.287 0.111 5 0 "[ . 1]" 1 3 1 4 VAL H 1 4 VAL MG2 . . 2.488 2.544 2.523 2.568 0.080 1 0 "[ . 1]" 1 4 1 4 VAL QG 1 5 SER H 2.774 . 3.142 3.113 3.019 3.176 0.034 4 0 "[ . 1]" 1 5 1 5 SER H 1 5 SER QB 2.758 . 3.709 2.534 2.364 2.685 . 0 0 "[ . 1]" 1 6 1 7 LEU H 1 7 LEU QB 2.512 . 3.301 2.032 1.990 2.066 . 0 0 "[ . 1]" 1 7 1 7 LEU QD 1 8 ALA H 3.300 . 5.000 4.132 4.090 4.184 . 0 0 "[ . 1]" 1 8 1 8 ALA H 1 8 ALA MB 2.273 . 2.583 2.263 2.234 2.281 . 0 0 "[ . 1]" 1 9 1 9 CYS H 1 39 VAL QG 2.607 . 3.456 2.556 2.434 2.652 . 0 0 "[ . 1]" 1 10 1 8 ALA MB 1 9 CYS H 2.684 . 3.037 2.645 2.540 2.700 . 0 0 "[ . 1]" 1 11 1 9 CYS H 1 9 CYS QB 2.755 . 3.704 2.220 2.199 2.238 . 0 0 "[ . 1]" 1 12 1 9 CYS QB 1 10 ILE H 2.267 . 2.910 2.403 2.329 2.484 . 0 0 "[ . 1]" 1 13 1 10 ILE MG 1 11 TYR H 2.484 . 3.207 3.022 2.953 3.079 . 0 0 "[ . 1]" 1 14 1 11 TYR H 1 14 LEU QD 2.819 . 3.813 3.533 3.426 3.608 . 0 0 "[ . 1]" 1 15 1 9 CYS QB 1 11 TYR H 3.255 . 4.579 4.734 4.695 4.757 0.178 10 0 "[ . 1]" 1 16 1 11 TYR H 1 11 TYR QB 2.895 . 3.712 2.467 2.441 2.510 . 0 0 "[ . 1]" 1 17 1 12 SER H 2 10 LEU QD 2.487 . 3.260 2.623 2.388 2.892 . 0 0 "[ . 1]" 1 18 1 12 SER H 1 13 ALA MB 3.097 . 4.296 4.349 4.317 4.379 0.083 3 0 "[ . 1]" 1 19 1 11 TYR QB 1 12 SER H 3.108 . 4.122 2.571 2.484 2.662 . 0 0 "[ . 1]" 1 20 1 11 TYR QD 1 12 SER H 3.232 . 4.538 4.366 4.305 4.430 . 0 0 "[ . 1]" 1 21 1 13 ALA H 1 14 LEU QD 3.300 . 5.000 3.481 3.396 3.641 . 0 0 "[ . 1]" 1 22 1 13 ALA H 1 13 ALA MB 2.167 . 2.754 2.211 2.199 2.221 . 0 0 "[ . 1]" 1 23 1 12 SER QB 1 13 ALA H 3.300 2.648 3.952 2.880 2.498 3.362 0.150 1 0 "[ . 1]" 1 24 1 14 LEU H 1 14 LEU QD 2.465 . 3.117 2.664 2.602 2.726 . 0 0 "[ . 1]" 1 25 1 13 ALA MB 1 14 LEU H 2.545 . 3.355 2.665 2.601 2.735 . 0 0 "[ . 1]" 1 26 1 15 ILE H 1 31 LEU QD 5.000 . 5.500 4.449 4.380 4.584 . 0 0 "[ . 1]" 1 27 1 14 LEU QB 1 15 ILE H 2.426 . 3.162 2.470 2.433 2.551 . 0 0 "[ . 1]" 1 28 1 16 LEU H 1 16 LEU QD 2.423 . 3.157 3.125 3.057 3.188 0.031 2 0 "[ . 1]" 1 29 1 13 ALA MB 1 16 LEU H 3.300 . 5.000 4.682 4.598 4.798 . 0 0 "[ . 1]" 1 30 1 16 LEU H 1 16 LEU QB 2.500 . 3.281 2.005 1.991 2.021 . 0 0 "[ . 1]" 1 31 1 16 LEU QD 1 17 HIS H 2.924 . 3.993 4.084 4.018 4.133 0.140 1 0 "[ . 1]" 1 32 1 16 LEU QB 1 17 HIS H 3.214 . 4.505 2.598 2.458 2.701 . 0 0 "[ . 1]" 1 33 1 17 HIS H 1 17 HIS QB 2.629 . 3.493 2.298 2.129 2.525 . 0 0 "[ . 1]" 1 34 1 18 ASP H 1 18 ASP QB 2.440 . 3.184 2.281 2.217 2.323 . 0 0 "[ . 1]" 1 35 1 17 HIS QB 1 18 ASP H 3.024 . 4.079 3.233 3.095 3.341 . 0 0 "[ . 1]" 1 36 1 19 ASP H 1 19 ASP QB 2.658 . 3.420 2.361 2.319 2.442 . 0 0 "[ . 1]" 1 37 1 20 GLU H 1 21 VAL MG1 3.099 . 4.299 3.582 3.387 3.757 . 0 0 "[ . 1]" 1 38 1 20 GLU H 1 20 GLU QG 2.291 . 2.928 2.635 2.454 2.820 . 0 0 "[ . 1]" 1 39 1 19 ASP QB 1 20 GLU H 3.110 . 3.777 3.203 3.122 3.330 . 0 0 "[ . 1]" 1 40 1 21 VAL H 1 21 VAL MG1 2.261 . 2.510 1.924 1.809 2.002 . 0 0 "[ . 1]" 1 41 1 21 VAL MG2 1 22 THR H 2.800 . 3.800 1.727 1.418 2.080 . 0 0 "[ . 1]" 1 42 1 22 THR H 1 22 THR MG 2.800 . 2.960 2.173 2.006 2.298 . 0 0 "[ . 1]" 1 43 1 23 VAL H 1 23 VAL QG . . 2.584 2.399 2.270 2.584 0.000 9 0 "[ . 1]" 1 44 1 23 VAL H 1 24 THR MG 3.300 . 5.000 3.645 3.436 3.821 . 0 0 "[ . 1]" 1 45 1 23 VAL QG 1 24 THR H 2.268 . 2.911 2.988 2.946 3.019 0.108 1 0 "[ . 1]" 1 46 1 24 THR H 1 24 THR MG 2.417 . 3.066 3.020 2.837 3.096 0.030 9 0 "[ . 1]" 1 47 1 24 THR H 1 27 LYS QB 2.535 . 3.338 2.025 1.843 2.182 . 0 0 "[ . 1]" 1 48 1 24 THR H 1 27 LYS QG 2.908 . 3.965 2.971 1.885 3.223 . 0 0 "[ . 1]" 1 49 1 23 VAL MG1 1 25 GLU H 5.000 . 5.500 4.042 3.810 4.245 . 0 0 "[ . 1]" 1 50 1 24 THR MG 1 25 GLU H 2.784 . 3.753 3.770 3.663 3.863 0.110 2 0 "[ . 1]" 1 51 1 25 GLU H 1 48 ALA MB 2.672 . 3.564 2.596 2.403 2.754 . 0 0 "[ . 1]" 1 52 1 25 GLU H 1 25 GLU QB 2.339 . 3.023 2.382 2.204 2.693 . 0 0 "[ . 1]" 1 53 1 24 THR MG 1 26 ASP H 3.315 . 4.689 4.391 4.135 4.540 . 0 0 "[ . 1]" 1 54 1 25 GLU QB 1 26 ASP H 2.362 . 3.060 2.795 2.433 3.259 0.199 9 0 "[ . 1]" 1 55 1 26 ASP H 1 29 ASN QB 3.300 . 5.000 4.516 4.356 4.662 . 0 0 "[ . 1]" 1 56 1 27 LYS H 1 28 ILE MD 5.000 . 5.500 4.866 4.583 5.094 . 0 0 "[ . 1]" 1 57 1 27 LYS H 2 31 VAL MG1 3.300 . 5.000 4.998 4.634 5.144 0.144 1 0 "[ . 1]" 1 58 1 27 LYS H 1 29 ASN QB 3.300 . 5.000 4.563 4.307 4.762 . 0 0 "[ . 1]" 1 59 1 28 ILE H 1 28 ILE MD 5.000 . 5.500 3.318 3.059 3.508 . 0 0 "[ . 1]" 1 60 1 27 LYS QB 1 28 ILE H 5.000 . 5.500 2.197 2.103 2.312 . 0 0 "[ . 1]" 1 61 1 28 ILE MD 1 29 ASN H 5.000 . 5.500 4.481 4.349 4.563 . 0 0 "[ . 1]" 1 62 1 29 ASN H 1 30 ALA MB 5.000 . 5.500 4.352 4.271 4.421 . 0 0 "[ . 1]" 1 63 1 29 ASN H 1 29 ASN QB 2.479 . 3.146 2.236 2.127 2.386 . 0 0 "[ . 1]" 1 64 1 25 GLU HA 1 29 ASN H 2.801 . 3.782 3.327 3.292 3.377 . 0 0 "[ . 1]" 1 65 1 29 ASN H 1 29 ASN QD 3.223 . 4.522 3.534 2.465 4.404 . 0 0 "[ . 1]" 1 66 1 30 ALA H 1 31 LEU MD2 5.000 . 5.500 3.916 3.848 3.984 . 0 0 "[ . 1]" 1 67 1 30 ALA H 2 31 VAL MG1 3.300 . 5.000 4.030 3.855 4.211 . 0 0 "[ . 1]" 1 68 1 27 LYS HB2 1 30 ALA H 5.000 . 5.500 4.144 4.039 4.259 . 0 0 "[ . 1]" 1 69 1 30 ALA H 1 31 LEU QB 5.000 . 5.500 4.654 4.565 4.730 . 0 0 "[ . 1]" 1 70 1 29 ASN QB 1 30 ALA H 5.000 . 5.500 2.694 2.429 2.980 . 0 0 "[ . 1]" 1 71 1 26 ASP HA 1 30 ALA H 5.000 . 5.500 3.298 3.250 3.344 . 0 0 "[ . 1]" 1 72 1 31 LEU H 1 31 LEU MD2 2.600 . 2.600 2.039 1.976 2.155 . 0 0 "[ . 1]" 1 73 1 30 ALA MB 1 31 LEU H 5.000 . 5.500 2.441 2.380 2.570 . 0 0 "[ . 1]" 1 74 1 33 LYS H 1 33 LYS QG 3.300 2.300 3.569 3.181 2.275 3.841 0.272 9 0 "[ . 1]" 1 75 1 34 ALA MB 1 35 ALA H 5.000 . 5.500 2.527 2.360 2.686 . 0 0 "[ . 1]" 1 76 1 36 GLY H 1 37 VAL MG1 2.751 . 3.697 3.423 3.363 3.489 . 0 0 "[ . 1]" 1 77 1 35 ALA MB 1 36 GLY H 5.000 . 5.500 2.650 2.583 2.756 . 0 0 "[ . 1]" 1 78 1 34 ALA MB 1 36 GLY H 5.000 . 5.500 4.413 4.293 4.540 . 0 0 "[ . 1]" 1 79 1 36 GLY H 1 36 GLY QA 2.246 . 2.746 2.278 2.270 2.297 . 0 0 "[ . 1]" 1 80 1 37 VAL H 1 37 VAL MG1 2.192 . 2.460 2.141 2.098 2.188 . 0 0 "[ . 1]" 1 81 1 35 ALA MB 1 37 VAL H 5.000 . 5.500 2.674 2.612 2.758 . 0 0 "[ . 1]" 1 82 1 36 GLY QA 1 37 VAL H 2.551 . 3.365 2.864 2.842 2.883 . 0 0 "[ . 1]" 1 83 1 37 VAL MG2 1 38 ASN H 2.322 . 2.656 2.724 2.696 2.775 0.119 5 0 "[ . 1]" 1 84 1 38 ASN H 1 38 ASN QB 2.247 . 2.856 2.315 2.262 2.344 . 0 0 "[ . 1]" 1 85 1 39 VAL H 1 39 VAL MG2 2.240 . 2.607 2.716 2.671 2.763 0.156 6 0 "[ . 1]" 1 86 1 38 ASN QB 1 39 VAL H 2.572 . 3.273 3.253 2.924 3.335 0.062 9 0 "[ . 1]" 1 87 1 39 VAL H 1 41 PRO QD 3.270 . 4.606 4.657 4.629 4.710 0.104 6 0 "[ . 1]" 1 88 1 39 VAL MG1 1 40 GLU H 3.300 . 5.000 2.003 1.912 2.106 . 0 0 "[ . 1]" 1 89 1 40 GLU H 1 40 GLU QG 3.300 . 5.000 3.637 2.534 3.926 . 0 0 "[ . 1]" 1 90 1 40 GLU H 1 41 PRO QD 3.224 . 4.523 4.076 3.997 4.108 . 0 0 "[ . 1]" 1 91 1 41 PRO QB 1 42 PHE H 2.992 . 4.111 2.783 2.738 2.856 . 0 0 "[ . 1]" 1 92 1 42 PHE H 1 42 PHE QB 2.798 . 3.773 2.198 2.187 2.210 . 0 0 "[ . 1]" 1 93 1 41 PRO QD 1 42 PHE H 3.351 . 4.755 2.955 2.751 3.039 . 0 0 "[ . 1]" 1 94 1 40 GLU QG 1 43 TRP H 3.300 . 5.000 3.561 3.127 5.046 0.046 4 0 "[ . 1]" 1 95 1 43 TRP H 1 43 TRP QB 2.691 . 3.596 2.246 2.228 2.262 . 0 0 "[ . 1]" 1 96 1 43 TRP H 1 44 PRO QD 2.833 . 3.836 2.387 2.367 2.422 . 0 0 "[ . 1]" 1 97 1 45 GLY H 1 45 GLY QA 2.546 . 3.356 2.208 2.204 2.211 . 0 0 "[ . 1]" 1 98 1 46 LEU H 1 46 LEU QD 3.300 . 3.714 3.678 3.654 3.697 . 0 0 "[ . 1]" 1 99 1 46 LEU H 1 47 PHE QB 3.403 . 4.851 4.351 4.301 4.386 . 0 0 "[ . 1]" 1 100 1 45 GLY QA 1 46 LEU H 2.712 . 3.631 2.529 2.504 2.569 . 0 0 "[ . 1]" 1 101 1 46 LEU QD 1 47 PHE H 3.073 . 4.253 3.849 3.736 3.959 . 0 0 "[ . 1]" 1 102 1 47 PHE H 1 47 PHE QD 2.881 . 3.918 2.719 2.525 2.839 . 0 0 "[ . 1]" 1 103 1 28 ILE MD 1 48 ALA H 3.000 . 3.300 2.865 2.720 2.980 . 0 0 "[ . 1]" 1 104 1 48 ALA H 1 48 ALA MB 2.275 . 2.922 2.247 2.206 2.265 . 0 0 "[ . 1]" 1 105 1 48 ALA H 1 49 LYS QB 3.015 . 4.151 4.239 4.157 4.296 0.145 9 0 "[ . 1]" 1 106 1 47 PHE QB 1 48 ALA H 2.991 . 3.874 2.587 2.522 2.642 . 0 0 "[ . 1]" 1 107 1 48 ALA MB 1 49 LYS H 2.337 . 3.019 2.628 2.589 2.703 . 0 0 "[ . 1]" 1 108 1 51 LEU H 1 51 LEU QD 2.450 . 3.165 2.969 2.013 3.124 . 0 0 "[ . 1]" 1 109 1 50 ALA MB 1 51 LEU H 2.546 . 3.356 2.657 2.323 2.848 . 0 0 "[ . 1]" 1 110 1 51 LEU H 1 51 LEU QB 2.320 . 2.993 2.276 2.196 2.392 . 0 0 "[ . 1]" 1 111 1 53 ASN H 1 54 VAL QG 3.162 . 4.412 3.188 3.080 3.286 . 0 0 "[ . 1]" 1 112 1 52 ALA MB 1 53 ASN H 5.000 . 5.500 3.158 2.844 3.425 . 0 0 "[ . 1]" 1 113 1 53 ASN H 1 53 ASN QB 2.500 . 3.000 2.662 2.536 3.009 0.009 2 0 "[ . 1]" 1 114 1 54 VAL H 1 54 VAL QG 2.322 . 2.697 1.969 1.919 2.029 . 0 0 "[ . 1]" 1 115 1 52 ALA MB 1 54 VAL H 5.000 . 5.500 4.759 4.436 4.968 . 0 0 "[ . 1]" 1 116 1 53 ASN QB 1 54 VAL H 3.013 . 4.148 2.622 2.346 3.604 . 0 0 "[ . 1]" 1 117 1 56 ILE MG 1 57 GLY H 2.476 . 3.243 2.419 2.353 2.495 . 0 0 "[ . 1]" 1 118 1 57 GLY H 1 57 GLY QA 2.279 . 2.928 2.211 2.204 2.217 . 0 0 "[ . 1]" 1 119 1 58 SER H 1 59 LEU QD 2.894 . 3.941 3.980 3.957 4.012 0.071 6 0 "[ . 1]" 1 120 1 58 SER H 1 58 SER QB 2.196 . 2.727 2.326 2.249 2.472 . 0 0 "[ . 1]" 1 121 1 59 LEU H 1 59 LEU QD 2.132 . 2.700 2.720 2.710 2.727 0.027 10 0 "[ . 1]" 1 122 1 60 ILE H 1 60 ILE MD 2.550 . 3.288 3.335 3.319 3.361 0.073 7 0 "[ . 1]" 1 123 1 60 ILE H 1 60 ILE QG 2.817 . 3.386 3.202 3.127 3.241 . 0 0 "[ . 1]" 1 124 1 60 ILE MG 1 61 CYS H 2.541 . 3.348 3.128 2.958 3.241 . 0 0 "[ . 1]" 1 125 1 61 CYS H 1 61 CYS QB 2.432 . 2.968 2.289 2.251 2.316 . 0 0 "[ . 1]" 1 126 1 62 ASN H 1 62 ASN QB 2.500 . 2.800 2.476 2.313 2.871 0.071 3 0 "[ . 1]" 1 127 1 63 VAL H 1 63 VAL QG 2.209 . 2.819 2.002 1.792 2.986 0.167 1 0 "[ . 1]" 1 128 1 62 ASN QB 1 63 VAL H 2.732 . 3.665 3.298 2.454 3.888 0.223 1 0 "[ . 1]" 1 129 1 63 VAL QG 1 64 GLY H 2.597 . 3.440 3.451 3.281 3.544 0.104 1 0 "[ . 1]" 1 130 1 64 GLY H 1 64 GLY QA 2.044 . 2.566 2.392 2.193 2.500 . 0 0 "[ . 1]" 1 131 1 65 ALA H 1 65 ALA MB 2.184 . 2.780 2.542 2.256 2.812 0.032 8 0 "[ . 1]" 1 132 1 65 ALA MB 1 66 GLY H 3.128 . 4.351 3.442 2.056 3.721 . 0 0 "[ . 1]" 1 133 1 66 GLY H 1 66 GLY QA 2.352 . 3.044 2.364 2.190 2.502 . 0 0 "[ . 1]" 1 134 1 67 GLY H 1 67 GLY QA 2.313 . 2.982 2.402 2.193 2.502 . 0 0 "[ . 1]" 1 135 1 39 VAL MG1 1 43 TRP HE1 3.412 . 4.867 4.442 4.334 4.518 . 0 0 "[ . 1]" 1 136 1 40 GLU QB 1 43 TRP HE1 3.087 . 4.278 3.178 3.114 3.227 . 0 0 "[ . 1]" 1 137 1 40 GLU QG 1 43 TRP HE1 3.203 . 3.838 3.868 3.806 3.945 0.107 6 0 "[ . 1]" 1 138 1 5 SER QB 1 43 TRP HE1 3.623 . 5.264 4.908 4.453 5.339 0.075 1 0 "[ . 1]" 1 139 1 42 PHE QE 1 43 TRP HE1 3.228 . 4.531 3.243 3.180 3.393 . 0 0 "[ . 1]" 1 140 2 5 VAL QG 2 6 ALA H 2.716 . 3.301 2.981 1.868 3.146 . 0 0 "[ . 1]" 1 141 2 6 ALA H 2 6 ALA MB 2.696 . 2.927 2.193 2.163 2.214 . 0 0 "[ . 1]" 1 142 2 6 ALA MB 2 7 SER H 2.995 . 3.566 2.553 2.471 2.742 . 0 0 "[ . 1]" 1 143 2 5 VAL MG2 2 7 SER H 5.000 . 5.500 3.513 3.262 3.578 . 0 0 "[ . 1]" 1 144 2 8 TYR H 2 24 ILE MD 3.300 . 5.000 2.529 2.488 2.591 . 0 0 "[ . 1]" 1 145 2 8 TYR H 2 8 TYR QB 2.790 . 3.593 2.164 2.141 2.177 . 0 0 "[ . 1]" 1 146 2 8 TYR H 2 8 TYR QD 2.978 . 4.087 4.131 4.119 4.141 0.054 7 0 "[ . 1]" 1 147 2 8 TYR H 2 47 LEU QD 3.566 . 5.155 4.446 3.774 5.100 . 0 0 "[ . 1]" 1 148 2 6 ALA MB 2 9 LEU H 3.297 . 4.656 4.070 4.009 4.118 . 0 0 "[ . 1]" 1 149 2 9 LEU H 2 9 LEU MD1 2.502 . 2.930 2.177 2.086 2.336 . 0 0 "[ . 1]" 1 150 2 11 ALA H 2 11 ALA MB . . 2.319 2.230 2.194 2.260 . 0 0 "[ . 1]" 1 151 1 37 VAL MG1 2 12 ALA H 3.300 . 5.000 4.828 4.761 4.864 . 0 0 "[ . 1]" 1 152 2 12 ALA H 2 12 ALA MB 2.113 . 2.241 2.211 2.186 2.233 . 0 0 "[ . 1]" 1 153 1 37 VAL QG 2 13 LEU H 2.861 . 3.884 3.630 3.588 3.675 . 0 0 "[ . 1]" 1 154 2 13 LEU H 2 13 LEU QD 2.610 . 3.371 2.929 2.603 3.333 . 0 0 "[ . 1]" 1 155 2 14 GLY H 2 14 GLY QA 2.420 . 3.037 2.242 2.184 2.456 . 0 0 "[ . 1]" 1 156 2 13 LEU QB 2 14 GLY H 2.913 . 3.974 2.700 2.660 2.760 . 0 0 "[ . 1]" 1 157 1 35 ALA MB 2 14 GLY H 5.000 . 5.500 3.213 2.911 3.696 . 0 0 "[ . 1]" 1 158 2 13 LEU QD 2 14 GLY H 3.300 . 5.000 4.056 3.975 4.183 . 0 0 "[ . 1]" 1 159 1 37 VAL QG 2 14 GLY H 2.500 . 3.281 2.848 2.758 2.959 . 0 0 "[ . 1]" 1 160 2 15 GLY H 2 15 GLY QA 2.360 . 2.963 2.451 2.385 2.498 . 0 0 "[ . 1]" 1 161 2 14 GLY QA 2 15 GLY H 2.743 . 3.683 2.758 2.584 2.850 . 0 0 "[ . 1]" 1 162 2 12 ALA H 2 15 GLY H 2.938 . 4.017 3.818 3.616 4.035 0.018 3 0 "[ . 1]" 1 163 2 12 ALA MB 2 15 GLY H 3.300 . 5.000 4.780 4.520 4.993 . 0 0 "[ . 1]" 1 164 1 37 VAL QG 2 15 GLY H 3.300 . 5.000 4.476 4.352 4.627 . 0 0 "[ . 1]" 1 165 2 15 GLY H 2 16 ASN QB 3.100 . 4.301 4.037 3.713 4.417 0.116 3 0 "[ . 1]" 1 166 2 15 GLY QA 2 16 ASN H 2.729 . 3.660 2.903 2.653 2.977 . 0 0 "[ . 1]" 1 167 2 16 ASN H 2 16 ASN QB 2.519 . 3.272 2.540 2.431 2.727 . 0 0 "[ . 1]" 1 168 2 12 ALA H 2 16 ASN H 2.825 . 3.823 4.025 3.976 4.067 0.244 9 0 "[ . 1]" 1 169 2 16 ASN H 2 16 ASN QD 3.220 . 4.516 4.497 4.080 4.617 0.101 6 0 "[ . 1]" 1 170 2 12 ALA MB 2 16 ASN H 3.300 . 5.000 4.333 4.186 4.426 . 0 0 "[ . 1]" 1 171 2 12 ALA MB 2 17 SER H 3.333 . 4.722 4.439 4.268 4.586 . 0 0 "[ . 1]" 1 172 2 16 ASN QB 2 17 SER H 2.926 . 3.724 3.854 3.559 3.969 0.245 4 0 "[ . 1]" 1 173 2 17 SER H 2 17 SER QB 2.370 . 3.072 2.696 2.552 2.835 . 0 0 "[ . 1]" 1 174 2 17 SER H 2 18 SER QB 3.152 . 4.153 4.170 4.121 4.194 0.041 3 0 "[ . 1]" 1 175 2 18 SER H 2 18 SER QB 2.359 . 2.944 2.912 2.868 2.956 0.012 6 0 "[ . 1]" 1 176 2 12 ALA MB 2 18 SER H 2.962 . 3.304 3.424 3.344 3.479 0.175 5 0 "[ . 1]" 1 177 2 16 ASN QD 2 18 SER H 3.307 . 4.674 3.853 2.581 4.946 0.272 2 0 "[ . 1]" 1 178 2 18 SER H 2 19 PRO QG 3.300 . 5.000 3.201 3.113 3.290 . 0 0 "[ . 1]" 1 179 2 18 SER H 2 52 ILE MD 3.322 . 4.702 4.787 4.722 4.859 0.157 1 0 "[ . 1]" 1 180 2 20 SER H 2 20 SER QB 2.330 . 3.008 2.917 2.692 3.052 0.044 9 0 "[ . 1]" 1 181 2 19 PRO QB 2 20 SER H 2.894 . 3.808 2.883 2.711 3.028 . 0 0 "[ . 1]" 1 182 2 20 SER H 2 24 ILE MD 5.000 . 5.500 3.528 3.321 3.748 . 0 0 "[ . 1]" 1 183 2 21 ALA H 2 44 ILE MD 2.448 . 3.197 3.049 2.616 3.354 0.157 6 0 "[ . 1]" 1 184 2 21 ALA H 2 21 ALA MB 2.166 . 2.404 2.230 2.218 2.253 . 0 0 "[ . 1]" 1 185 2 21 ALA H 2 44 ILE MG 2.924 . 3.266 3.327 3.252 3.446 0.180 3 0 "[ . 1]" 1 186 2 21 ALA MB 2 22 LYS H 2.193 . 2.729 2.471 2.311 2.581 . 0 0 "[ . 1]" 1 187 2 22 LYS H 2 22 LYS QE 2.901 . 3.953 3.940 3.815 4.035 0.082 10 0 "[ . 1]" 1 188 2 20 SER QB 2 22 LYS H 2.608 . 3.458 3.110 2.805 3.247 . 0 0 "[ . 1]" 1 189 2 22 LYS HB2 2 24 ILE H 3.300 . 5.000 3.934 3.842 3.981 . 0 0 "[ . 1]" 1 190 2 20 SER H 2 24 ILE H 3.300 . 5.000 3.721 3.474 3.825 . 0 0 "[ . 1]" 1 191 2 24 ILE H 2 24 ILE MG 3.300 . 5.000 3.763 3.745 3.777 . 0 0 "[ . 1]" 1 192 2 24 ILE MG 2 25 LYS H 3.300 . 5.000 3.540 3.449 3.706 . 0 0 "[ . 1]" 1 193 2 25 LYS H 2 40 LEU MD2 2.600 . 3.445 2.899 2.590 3.027 . 0 0 "[ . 1]" 1 194 2 25 LYS H 2 25 LYS QG 3.300 . 5.000 2.557 2.208 4.023 . 0 0 "[ . 1]" 1 195 2 25 LYS H 2 25 LYS QB 2.458 . 3.191 2.327 2.135 2.436 . 0 0 "[ . 1]" 1 196 2 25 LYS H 2 25 LYS QE 3.300 . 5.000 4.939 3.908 5.087 0.087 8 0 "[ . 1]" 1 197 2 26 LYS H 2 26 LYS QG 3.300 . 3.716 3.058 2.255 3.905 0.189 10 0 "[ . 1]" 1 198 2 22 LYS HA 2 26 LYS H 2.733 . 3.667 3.341 3.293 3.413 . 0 0 "[ . 1]" 1 199 2 26 LYS H 2 27 ILE MD 3.300 . 5.000 4.132 3.895 4.289 . 0 0 "[ . 1]" 1 200 2 26 LYS H 2 26 LYS QD 2.431 . 3.169 3.356 3.238 3.498 0.329 1 0 "[ . 1]" 1 201 2 26 LYS QG 2 27 ILE H 3.300 . 5.000 3.719 3.225 4.051 . 0 0 "[ . 1]" 1 202 2 27 ILE H 2 28 LEU QD 3.300 . 5.000 4.431 4.348 4.517 . 0 0 "[ . 1]" 1 203 2 27 ILE H 2 27 ILE MD 1.900 . 2.200 2.208 2.154 2.232 0.032 2 0 "[ . 1]" 1 204 2 28 LEU H 2 28 LEU QD 3.300 . 5.000 2.831 2.720 2.894 . 0 0 "[ . 1]" 1 205 2 27 ILE MD 2 28 LEU H 3.300 . 5.000 2.806 2.568 3.027 . 0 0 "[ . 1]" 1 206 2 29 ASP H 2 29 ASP QB 2.427 . 2.993 2.265 2.154 2.298 . 0 0 "[ . 1]" 1 207 2 28 LEU QD 2 29 ASP H 3.300 . 5.000 2.264 1.981 2.354 . 0 0 "[ . 1]" 1 208 2 25 LYS QD 2 29 ASP H 3.300 . 5.000 4.719 4.130 5.078 0.078 10 0 "[ . 1]" 1 209 2 28 LEU QB 2 29 ASP H 3.300 . 5.000 3.586 3.410 3.682 . 0 0 "[ . 1]" 1 210 2 29 ASP QB 2 30 SER H 2.927 . 3.783 2.808 2.633 2.998 . 0 0 "[ . 1]" 1 211 1 31 LEU MD1 2 30 SER H 3.300 . 5.000 3.568 3.516 3.661 . 0 0 "[ . 1]" 1 212 1 34 ALA MB 2 30 SER H 5.000 . 5.500 3.681 3.456 3.922 . 0 0 "[ . 1]" 1 213 2 30 SER H 2 31 VAL MG2 3.300 . 5.000 3.927 3.826 4.034 . 0 0 "[ . 1]" 1 214 2 32 GLY H 2 32 GLY QA 2.124 . 2.688 2.257 2.204 2.369 . 0 0 "[ . 1]" 1 215 2 33 ILE H 2 33 ILE MG 3.300 . 5.000 3.738 3.641 3.789 . 0 0 "[ . 1]" 1 216 2 34 GLU H 2 34 GLU QG 2.633 . 2.706 2.472 2.265 2.739 0.033 3 0 "[ . 1]" 1 217 2 34 GLU H 2 35 ALA MB 3.300 . 5.000 4.894 4.801 4.993 . 0 0 "[ . 1]" 1 218 2 33 ILE MG 2 34 GLU H 3.300 . 5.000 2.586 2.373 2.920 . 0 0 "[ . 1]" 1 219 2 34 GLU QG 2 35 ALA H 2.866 . 3.893 3.963 3.892 4.107 0.214 3 0 "[ . 1]" 1 220 2 34 GLU QB 2 35 ALA H 2.380 . 3.088 2.929 2.477 3.127 0.039 8 0 "[ . 1]" 1 221 2 35 ALA H 2 35 ALA MB 2.378 . 2.551 2.566 2.509 2.643 0.092 3 0 "[ . 1]" 1 222 2 28 LEU MD1 2 35 ALA H 3.300 . 5.000 3.525 3.271 3.806 . 0 0 "[ . 1]" 1 223 2 36 ASP H 2 36 ASP QB 2.787 . 3.221 2.421 2.311 2.526 . 0 0 "[ . 1]" 1 224 2 4 TYR QE 2 36 ASP H 2.987 . 4.102 3.444 3.242 3.745 . 0 0 "[ . 1]" 1 225 2 37 ASP H 2 40 LEU MD1 2.989 . 4.106 3.925 3.775 4.020 . 0 0 "[ . 1]" 1 226 2 37 ASP H 2 37 ASP QB 2.147 . 2.723 2.440 2.228 2.664 . 0 0 "[ . 1]" 1 227 2 36 ASP QB 2 37 ASP H 2.776 . 3.739 3.043 2.859 3.629 . 0 0 "[ . 1]" 1 228 2 38 ASP H 2 38 ASP QB 2.059 . 2.588 2.460 2.290 2.621 0.033 9 0 "[ . 1]" 1 229 2 38 ASP QB 2 39 ARG H 2.448 . 2.972 2.845 2.735 2.929 . 0 0 "[ . 1]" 1 230 2 40 LEU H 2 40 LEU QB 2.430 . 3.168 2.942 2.896 2.970 . 0 0 "[ . 1]" 1 231 2 40 LEU H 2 40 LEU MD1 2.298 . 2.958 2.163 2.039 2.269 . 0 0 "[ . 1]" 1 232 2 36 ASP QB 2 40 LEU H 3.067 . 4.243 4.003 3.859 4.147 . 0 0 "[ . 1]" 1 233 2 41 ASN H 2 41 ASN QB 2.466 . 3.090 2.258 2.241 2.270 . 0 0 "[ . 1]" 1 234 2 41 ASN H 2 42 LYS QB 3.001 . 4.127 4.191 4.080 4.391 0.264 3 0 "[ . 1]" 1 235 2 40 LEU MD1 2 41 ASN H 2.522 . 3.317 1.881 1.736 2.120 . 0 0 "[ . 1]" 1 236 2 40 LEU QB 2 41 ASN H 2.691 . 3.596 3.339 3.201 3.499 . 0 0 "[ . 1]" 1 237 2 41 ASN QB 2 42 LYS H 2.664 . 3.077 2.830 2.710 2.901 . 0 0 "[ . 1]" 1 238 2 42 LYS H 2 43 VAL MG1 2.712 . 3.631 3.789 3.702 3.886 0.255 2 0 "[ . 1]" 1 239 2 42 LYS H 2 42 LYS QB 2.050 . 2.575 2.211 2.075 2.459 . 0 0 "[ . 1]" 1 240 2 43 VAL H 2 43 VAL MG1 2.376 . 2.384 2.264 2.211 2.339 . 0 0 "[ . 1]" 1 241 2 44 ILE H 2 44 ILE QG 2.672 . 3.565 2.118 2.068 2.244 . 0 0 "[ . 1]" 1 242 2 44 ILE H 2 44 ILE MG 2.846 2.036 3.656 3.710 3.606 3.779 0.123 6 0 "[ . 1]" 1 243 2 44 ILE H 2 44 ILE MD 2.401 . 2.676 2.802 2.714 2.925 0.249 10 0 "[ . 1]" 1 244 2 45 SER H 2 45 SER QB 2.155 . 2.479 2.390 2.236 2.558 0.079 7 0 "[ . 1]" 1 245 2 44 ILE MD 2 45 SER H 3.286 2.316 4.256 4.285 4.185 4.346 0.090 7 0 "[ . 1]" 1 246 2 44 ILE MG 2 45 SER H 2.640 . 2.774 2.890 2.817 2.943 0.169 9 0 "[ . 1]" 1 247 2 42 LYS QG 2 45 SER H 3.300 . 5.000 5.057 4.855 5.156 0.156 9 0 "[ . 1]" 1 248 2 46 GLU QB 2 47 LEU H 2.992 . 4.111 2.678 2.266 2.967 . 0 0 "[ . 1]" 1 249 2 47 LEU H 2 47 LEU QB 2.892 . 3.937 2.369 2.037 2.677 . 0 0 "[ . 1]" 1 250 2 47 LEU H 2 47 LEU QD . . 2.861 2.515 2.246 2.692 . 0 0 "[ . 1]" 1 251 2 48 ASN H 2 48 ASN QB 2.545 . 3.026 2.233 2.205 2.252 . 0 0 "[ . 1]" 1 252 2 50 LYS H 2 50 LYS QE 2.878 . 3.914 3.501 2.903 3.956 0.042 3 0 "[ . 1]" 1 253 2 50 LYS H 2 50 LYS QG 3.300 . 5.000 4.206 4.021 4.348 . 0 0 "[ . 1]" 1 254 2 50 LYS H 2 50 LYS QB 2.323 . 2.997 2.468 2.248 2.672 . 0 0 "[ . 1]" 1 255 2 50 LYS QG 2 51 ASN H 3.224 . 4.523 2.491 2.140 2.923 . 0 0 "[ . 1]" 1 256 2 51 ASN H 2 54 ASP H 3.090 . 4.284 4.262 4.130 4.404 0.120 6 0 "[ . 1]" 1 257 2 50 LYS QB 2 51 ASN H 2.828 . 3.828 2.748 2.305 3.170 . 0 0 "[ . 1]" 1 258 2 51 ASN H 2 51 ASN QB 2.705 . 3.037 2.465 2.355 2.647 . 0 0 "[ . 1]" 1 259 2 53 GLU QG 2 54 ASP H 3.019 . 4.158 4.222 4.099 4.330 0.172 2 0 "[ . 1]" 1 260 2 53 GLU QB 2 54 ASP H 2.692 . 3.096 2.590 2.453 2.729 . 0 0 "[ . 1]" 1 261 2 52 ILE MG 2 54 ASP H 2.920 . 3.986 3.649 3.472 3.851 . 0 0 "[ . 1]" 1 262 2 54 ASP H 2 54 ASP QB 2.547 . 2.845 2.291 2.166 2.524 . 0 0 "[ . 1]" 1 263 2 55 VAL H 2 55 VAL MG2 . . 2.372 1.988 1.887 2.045 . 0 0 "[ . 1]" 1 264 2 58 GLN H 2 58 GLN QG 2.834 . 3.004 3.041 2.990 3.104 0.100 10 0 "[ . 1]" 1 265 2 58 GLN H 2 58 GLN QB 2.499 . 2.869 2.670 2.550 2.715 . 0 0 "[ . 1]" 1 266 2 57 ALA MB 2 58 GLN H 2.720 . 3.645 3.221 2.987 3.328 . 0 0 "[ . 1]" 1 267 2 58 GLN QB 2 59 GLY H 2.928 . 3.999 3.289 2.473 3.773 . 0 0 "[ . 1]" 1 268 2 57 ALA MB 2 59 GLY H 3.383 . 4.814 4.578 4.492 4.741 . 0 0 "[ . 1]" 1 269 2 60 ILE MG 2 61 GLY H 3.054 . 4.220 3.616 3.390 3.757 . 0 0 "[ . 1]" 1 270 2 62 LYS H 2 62 LYS QG 2.424 . 3.158 2.997 1.921 3.453 0.295 4 0 "[ . 1]" 1 271 2 62 LYS H 2 62 LYS QB 2.283 . 2.935 2.570 2.202 3.173 0.238 8 0 "[ . 1]" 1 272 2 63 LEU H 2 63 LEU MD1 2.500 . 2.800 1.874 1.590 2.147 . 0 0 "[ . 1]" 1 273 2 63 LEU H 2 63 LEU QB 2.300 . 2.600 2.528 2.294 2.835 0.235 5 0 "[ . 1]" 1 274 2 63 LEU QB 2 64 ALA H 2.392 . 3.107 2.707 1.589 3.291 0.184 1 0 "[ . 1]" 1 275 2 63 LEU QB 2 65 SER H 3.300 . 5.000 4.618 4.066 5.042 0.042 10 0 "[ . 1]" 1 276 2 65 SER H 2 65 SER QB 2.613 . 3.466 2.910 2.312 3.371 . 0 0 "[ . 1]" 1 277 2 66 VAL H 2 66 VAL QG 2.247 . 2.554 2.194 1.917 2.588 0.034 9 0 "[ . 1]" 1 278 2 65 SER QB 2 66 VAL H 2.567 . 3.391 3.035 2.215 3.571 0.180 2 0 "[ . 1]" 1 279 2 67 PRO QB 2 68 ALA H 2.581 . 3.345 3.450 3.395 3.501 0.156 3 0 "[ . 1]" 1 280 2 68 ALA H 2 68 ALA MB 1.986 . 2.479 2.382 2.237 2.720 0.241 8 0 "[ . 1]" 1 281 2 69 GLY QA 2 70 GLY H 2.168 . 2.756 2.471 2.145 2.878 0.122 4 0 "[ . 1]" 1 282 2 70 GLY H 2 70 GLY QA 2.143 . 2.717 2.389 2.211 2.501 . 0 0 "[ . 1]" 1 283 1 1 MET HA 1 1 MET QB 1.935 . 2.403 2.386 2.339 2.451 0.048 6 0 "[ . 1]" 1 284 1 1 MET QB 1 1 MET HG2 1.944 . 2.416 2.202 2.010 2.274 . 0 0 "[ . 1]" 1 285 1 1 MET QG 1 7 LEU MD2 3.300 . 5.000 3.835 3.340 4.458 . 0 0 "[ . 1]" 1 286 1 1 MET HA 1 1 MET QG 2.223 . 2.841 2.470 2.352 2.767 . 0 0 "[ . 1]" 1 287 1 2 ALA HA 1 2 ALA MB 1.903 . 1.971 2.113 2.099 2.123 0.152 3 0 "[ . 1]" 1 288 1 2 ALA MB 1 7 LEU HB2 1.999 . 2.497 2.549 2.510 2.580 0.083 9 0 "[ . 1]" 1 289 1 2 ALA MB 1 7 LEU MD1 1.853 . 2.282 1.701 1.676 1.789 0.072 9 0 "[ . 1]" 1 290 1 3 SER HA 1 3 SER QB 2.137 . 2.430 2.273 2.188 2.323 . 0 0 "[ . 1]" 1 291 1 4 VAL HA 1 7 LEU MD2 2.322 . 2.996 3.081 3.060 3.098 0.102 5 0 "[ . 1]" 1 292 1 4 VAL HA 1 4 VAL QG 2.051 . 2.341 2.039 2.019 2.057 . 0 0 "[ . 1]" 1 293 1 4 VAL HA 1 7 LEU QB 2.509 . 3.296 2.368 2.291 2.436 . 0 0 "[ . 1]" 1 294 1 4 VAL HB 1 4 VAL QG 2.014 . 2.083 1.893 1.890 1.897 . 0 0 "[ . 1]" 1 295 1 4 VAL QG 2 13 LEU HA 2.532 . 3.333 2.909 2.748 3.023 . 0 0 "[ . 1]" 1 296 1 4 VAL QG 1 7 LEU HB2 2.800 . 3.232 3.350 3.305 3.393 0.161 10 0 "[ . 1]" 1 297 1 6 GLU HA 1 9 CYS QB 2.626 . 3.488 2.996 2.944 3.040 . 0 0 "[ . 1]" 1 298 1 6 GLU HA 1 6 GLU QG 2.388 . 3.101 2.527 2.451 2.579 . 0 0 "[ . 1]" 1 299 1 7 LEU HA 1 7 LEU QB 2.245 . 2.875 2.507 2.495 2.523 . 0 0 "[ . 1]" 1 300 1 7 LEU HA 1 7 LEU MD1 2.025 . 2.524 2.040 1.983 2.069 . 0 0 "[ . 1]" 1 301 1 7 LEU HA 1 9 CYS QB 3.300 . 5.000 4.970 4.902 5.009 0.009 10 0 "[ . 1]" 1 302 1 7 LEU QB 1 7 LEU MD2 2.290 . 2.659 1.953 1.920 2.014 . 0 0 "[ . 1]" 1 303 1 7 LEU MD2 1 11 TYR HE2 2.516 . 3.307 2.516 2.253 2.710 . 0 0 "[ . 1]" 1 304 1 1 MET ME 1 7 LEU MD2 3.300 . 5.000 2.525 2.263 3.226 . 0 0 "[ . 1]" 1 305 1 8 ALA HA 2 10 LEU QD 2.498 . 2.997 2.476 2.324 3.044 0.047 4 0 "[ . 1]" 1 306 1 7 LEU QB 1 8 ALA HA 3.300 . 5.000 3.940 3.916 3.969 . 0 0 "[ . 1]" 1 307 1 8 ALA HA 1 8 ALA MB 2.233 . 2.467 2.124 2.122 2.127 . 0 0 "[ . 1]" 1 308 1 8 ALA MB 1 37 VAL MG2 1.702 . 2.064 1.738 1.661 1.780 . 0 0 "[ . 1]" 1 309 1 5 SER HA 1 8 ALA MB 2.370 . 3.045 2.683 2.512 2.845 . 0 0 "[ . 1]" 1 310 1 9 CYS HA 1 9 CYS QB 2.607 . 3.268 2.446 2.439 2.458 . 0 0 "[ . 1]" 1 311 1 9 CYS HA 1 12 SER QB 3.951 2.863 4.566 3.142 2.807 3.618 0.056 4 0 "[ . 1]" 1 312 1 10 ILE HA 1 47 PHE QE 2.765 . 3.720 2.045 1.756 2.286 0.054 1 0 "[ . 1]" 1 313 1 10 ILE HA 1 13 ALA MB 2.389 . 3.102 2.975 2.894 3.113 0.011 6 0 "[ . 1]" 1 314 1 10 ILE HB 1 10 ILE MD 2.029 . 2.313 2.319 2.298 2.352 0.039 1 0 "[ . 1]" 1 315 1 10 ILE MD 1 47 PHE QE 3.300 . 5.000 4.659 4.490 4.801 . 0 0 "[ . 1]" 1 316 1 10 ILE HA 1 10 ILE MD 3.300 . 5.000 3.822 3.799 3.836 . 0 0 "[ . 1]" 1 317 1 10 ILE MD 1 10 ILE QG 1.873 . 2.311 1.881 1.874 1.885 . 0 0 "[ . 1]" 1 318 1 7 LEU HG 1 10 ILE MD 2.001 . 2.501 2.717 2.695 2.746 0.245 9 0 "[ . 1]" 1 319 1 10 ILE MG 2 60 ILE HA 2.730 . 3.578 3.001 2.936 3.060 . 0 0 "[ . 1]" 1 320 1 10 ILE MG 2 60 ILE HG13 2.269 . 2.913 2.031 1.935 2.117 . 0 0 "[ . 1]" 1 321 1 10 ILE QG 1 10 ILE MG 2.105 . 2.659 2.326 2.303 2.354 . 0 0 "[ . 1]" 1 322 1 10 ILE MG 1 11 TYR HA 2.681 . 3.569 2.997 2.924 3.066 . 0 0 "[ . 1]" 1 323 1 10 ILE HA 1 10 ILE MG 2.038 . 2.557 2.464 2.440 2.515 . 0 0 "[ . 1]" 1 324 1 10 ILE HB 1 10 ILE MG 1.905 . 2.358 2.110 2.104 2.117 . 0 0 "[ . 1]" 1 325 1 10 ILE MG 1 11 TYR HD1 2.501 . 3.278 2.813 2.649 2.941 . 0 0 "[ . 1]" 1 326 1 11 TYR HA 2 6 ALA MB 2.623 . 3.023 2.769 2.661 2.893 . 0 0 "[ . 1]" 1 327 1 11 TYR HA 1 14 LEU QD 2.545 . 3.355 2.019 1.856 2.152 . 0 0 "[ . 1]" 1 328 1 11 TYR QB 2 10 LEU QD 2.780 . 3.641 1.596 1.420 2.191 0.482 7 0 "[ . 1]" 1 329 1 11 TYR QB 1 11 TYR HD1 2.799 . 3.576 2.674 2.671 2.679 . 0 0 "[ . 1]" 1 330 1 11 TYR QB 2 6 ALA MB 2.975 . 3.170 2.819 2.659 2.972 . 0 0 "[ . 1]" 1 331 1 14 LEU HA 1 17 HIS QB 2.654 . 3.270 2.594 2.269 2.884 . 0 0 "[ . 1]" 1 332 1 14 LEU HA 1 14 LEU QD 1.969 . 2.442 1.608 1.572 1.656 0.015 6 0 "[ . 1]" 1 333 1 14 LEU HA 1 56 ILE QG 3.300 . 5.000 3.101 2.996 3.161 . 0 0 "[ . 1]" 1 334 1 14 LEU HA 2 2 MET ME 2.493 . 2.616 2.675 2.590 2.823 0.207 2 0 "[ . 1]" 1 335 1 14 LEU QD 2 2 MET QG 2.583 . 3.417 2.633 1.937 3.464 0.047 8 0 "[ . 1]" 1 336 1 14 LEU HG 1 56 ILE QG 3.300 . 3.557 3.711 3.656 3.757 0.200 2 0 "[ . 1]" 1 337 1 14 LEU QB 1 14 LEU HG 2.115 . 2.642 2.119 2.114 2.128 . 0 0 "[ . 1]" 1 338 1 14 LEU HG 2 2 MET ME 2.146 . 2.676 2.755 2.729 2.798 0.122 6 0 "[ . 1]" 1 339 1 14 LEU QB 1 15 ILE HA 3.300 . 5.000 3.776 3.727 3.829 . 0 0 "[ . 1]" 1 340 1 15 ILE HA 1 15 ILE MG 2.382 . 2.922 2.078 2.061 2.107 . 0 0 "[ . 1]" 1 341 1 15 ILE HB 1 15 ILE MG 2.271 . 2.378 2.119 2.115 2.121 . 0 0 "[ . 1]" 1 342 1 15 ILE MD 2 7 SER HA 1.891 . 2.338 1.973 1.894 2.039 . 0 0 "[ . 1]" 1 343 1 15 ILE MD 2 7 SER QB 3.300 2.590 4.010 3.084 2.874 3.238 . 0 0 "[ . 1]" 1 344 1 15 ILE HA 1 15 ILE MD 2.679 . 3.096 3.036 2.882 3.131 0.035 10 0 "[ . 1]" 1 345 1 15 ILE MD 2 6 ALA MB 2.083 . 2.601 1.970 1.812 2.095 . 0 0 "[ . 1]" 1 346 1 15 ILE MG 2 7 SER QB 3.300 2.659 3.941 3.028 2.902 3.163 . 0 0 "[ . 1]" 1 347 1 15 ILE MG 1 18 ASP QB 2.602 . 3.448 3.113 2.901 3.383 . 0 0 "[ . 1]" 1 348 1 15 ILE MG 2 27 ILE HG12 3.300 . 5.000 3.949 3.791 4.076 . 0 0 "[ . 1]" 1 349 1 15 ILE MG 2 7 SER HA 2.406 . 3.130 3.177 3.123 3.211 0.081 4 0 "[ . 1]" 1 350 1 15 ILE MG 2 6 ALA MB 2.361 . 3.058 2.906 2.803 2.982 . 0 0 "[ . 1]" 1 351 1 16 LEU HA 1 16 LEU MD1 2.063 . 2.440 1.758 1.731 1.815 0.071 4 0 "[ . 1]" 1 352 1 16 LEU MD2 1 27 LYS QB 1.971 . 2.457 2.343 2.074 2.499 0.042 4 0 "[ . 1]" 1 353 1 16 LEU MD2 1 23 VAL HA 2.098 . 2.648 1.785 1.616 1.925 0.030 6 0 "[ . 1]" 1 354 1 16 LEU QD 1 27 LYS QG 1.903 . 2.356 1.727 1.591 2.224 0.108 3 0 "[ . 1]" 1 355 1 16 LEU MD1 2 31 VAL HB 3.300 . 5.000 3.209 3.132 3.306 . 0 0 "[ . 1]" 1 356 1 16 LEU MD2 1 23 VAL QG 2.081 . 2.622 1.888 1.747 2.011 . 0 0 "[ . 1]" 1 357 1 13 ALA HA 1 16 LEU MD2 2.302 . 2.965 2.968 2.865 3.027 0.062 10 0 "[ . 1]" 1 358 1 17 HIS HA 1 17 HIS QB 2.282 . 2.827 2.338 2.258 2.419 . 0 0 "[ . 1]" 1 359 1 14 LEU QD 1 17 HIS QB 2.874 . 3.855 2.774 2.672 2.889 . 0 0 "[ . 1]" 1 360 1 18 ASP HA 1 18 ASP QB 2.165 . 2.751 2.395 2.339 2.497 . 0 0 "[ . 1]" 1 361 1 19 ASP HA 1 19 ASP QB 2.424 . 2.861 2.379 2.357 2.422 . 0 0 "[ . 1]" 1 362 1 19 ASP QB 1 21 VAL MG1 . . 2.476 2.336 2.033 2.470 . 0 0 "[ . 1]" 1 363 1 19 ASP QB 2 33 ILE MD 3.300 . 5.000 1.774 1.487 2.240 0.113 8 0 "[ . 1]" 1 364 1 20 GLU HA 1 20 GLU QG 1.844 . 2.269 2.381 2.309 2.504 0.235 10 0 "[ . 1]" 1 365 1 21 VAL HA 1 21 VAL QG 1.873 . 2.307 2.323 2.303 2.349 0.042 5 0 "[ . 1]" 1 366 1 21 VAL HB 1 21 VAL QG 2.001 . 2.174 1.884 1.882 1.886 . 0 0 "[ . 1]" 1 367 1 16 LEU HG 1 21 VAL QG 2.167 . 2.754 2.647 2.556 2.734 . 0 0 "[ . 1]" 1 368 1 16 LEU HA 1 21 VAL QG 2.362 . 3.060 2.441 2.257 2.559 . 0 0 "[ . 1]" 1 369 1 22 THR HA 1 23 VAL MG2 2.406 . 3.130 3.238 3.204 3.275 0.145 5 0 "[ . 1]" 1 370 1 22 THR HA 1 22 THR MG 1.951 . 2.028 2.156 2.123 2.190 0.162 3 0 "[ . 1]" 1 371 1 22 THR HB 1 22 THR MG . . 1.848 2.094 2.087 2.096 0.248 2 0 "[ . 1]" 1 372 1 22 THR MG 1 27 LYS QD 3.300 . 5.000 5.016 4.942 5.115 0.115 1 0 "[ . 1]" 1 373 1 23 VAL HA 1 23 VAL QG 1.975 . 2.463 2.148 2.143 2.155 . 0 0 "[ . 1]" 1 374 1 23 VAL HA 1 51 LEU QB 3.300 . 5.000 4.985 4.906 5.050 0.050 8 0 "[ . 1]" 1 375 1 23 VAL HA 1 27 LYS QG 2.919 . 3.984 3.146 2.644 3.415 . 0 0 "[ . 1]" 1 376 1 23 VAL HB 1 23 VAL QG 2.108 . 2.351 1.898 1.896 1.899 . 0 0 "[ . 1]" 1 377 1 16 LEU HG 1 23 VAL MG2 . . 2.607 2.542 2.443 2.631 0.024 2 0 "[ . 1]" 1 378 1 23 VAL MG1 1 51 LEU HB2 2.074 . 2.577 1.780 1.742 1.830 0.085 2 0 "[ . 1]" 1 379 1 23 VAL MG1 1 48 ALA HA 2.062 . 2.593 1.814 1.703 1.981 . 0 0 "[ . 1]" 1 380 1 24 THR HB 1 24 THR MG 1.979 . 2.086 2.124 2.114 2.130 0.044 3 0 "[ . 1]" 1 381 1 25 GLU HA 1 48 ALA MB 2.509 . 2.988 2.751 2.567 2.965 . 0 0 "[ . 1]" 1 382 1 25 GLU HA 1 25 GLU QB 2.093 . 2.638 2.298 2.164 2.422 . 0 0 "[ . 1]" 1 383 1 25 GLU HA 1 28 ILE MD 5.000 . 5.500 2.637 2.349 3.003 . 0 0 "[ . 1]" 1 384 1 25 GLU HA 1 25 GLU QG 2.503 . 3.286 2.764 2.333 3.326 0.040 9 0 "[ . 1]" 1 385 1 25 GLU QB 1 48 ALA MB 2.359 . 3.054 2.975 2.877 3.097 0.043 10 0 "[ . 1]" 1 386 1 25 GLU QB 1 25 GLU QG 2.199 . 2.220 2.063 2.009 2.083 . 0 0 "[ . 1]" 1 387 1 25 GLU QG 1 48 ALA MB 2.850 . 3.866 3.741 3.398 3.939 0.073 4 0 "[ . 1]" 1 388 1 26 ASP HA 1 29 ASN QB 1.912 . 2.369 2.255 2.076 2.429 0.060 4 0 "[ . 1]" 1 389 1 26 ASP HA 1 26 ASP QB 2.078 . 2.240 2.265 2.161 2.362 0.122 6 0 "[ . 1]" 1 390 1 26 ASP QB 1 30 ALA MB 5.000 . 5.500 4.528 4.205 5.071 . 0 0 "[ . 1]" 1 391 1 26 ASP QB 1 29 ASN HB2 3.300 . 5.000 4.014 3.725 4.430 . 0 0 "[ . 1]" 1 392 1 27 LYS HA 2 31 VAL MG1 3.300 . 5.000 2.648 2.191 2.859 . 0 0 "[ . 1]" 1 393 1 27 LYS HA 1 27 LYS QB 2.121 . 2.683 2.488 2.408 2.519 . 0 0 "[ . 1]" 1 394 1 27 LYS HA 1 30 ALA MB 5.000 . 5.500 2.749 2.594 2.866 . 0 0 "[ . 1]" 1 395 1 27 LYS QB 2 31 VAL MG1 3.300 . 5.000 3.521 2.970 3.786 . 0 0 "[ . 1]" 1 396 1 27 LYS QG 2 31 VAL MG1 3.300 . 5.000 2.354 1.993 4.074 . 0 0 "[ . 1]" 1 397 1 27 LYS QG 1 28 ILE MD 5.000 . 5.500 5.282 5.120 5.457 . 0 0 "[ . 1]" 1 398 1 27 LYS HE2 1 27 LYS HG2 2.405 . 3.128 2.764 2.235 2.933 . 0 0 "[ . 1]" 1 399 1 27 LYS HA 1 27 LYS QG 2.595 . 2.889 2.577 2.212 2.858 . 0 0 "[ . 1]" 1 400 1 28 ILE MD 1 47 PHE HB3 3.000 . 3.300 2.139 1.963 2.399 . 0 0 "[ . 1]" 1 401 1 28 ILE MD 1 47 PHE QD 5.000 . 5.500 3.263 2.857 3.450 . 0 0 "[ . 1]" 1 402 1 13 ALA HA 1 28 ILE MD 3.400 . 3.700 2.970 2.639 3.285 . 0 0 "[ . 1]" 1 403 1 28 ILE MD 1 44 PRO HA 2.600 . 2.900 2.263 1.904 2.558 . 0 0 "[ . 1]" 1 404 1 13 ALA MB 1 28 ILE MD 3.400 . 3.700 2.391 2.014 2.643 . 0 0 "[ . 1]" 1 405 1 29 ASN HA 1 32 ILE MD 5.000 . 5.500 1.926 1.640 2.242 . 0 0 "[ . 1]" 1 406 1 29 ASN HA 1 29 ASN QB 2.393 . 2.475 2.456 2.412 2.516 0.041 4 0 "[ . 1]" 1 407 1 30 ALA HA 1 33 LYS QD 5.000 . 5.500 5.356 4.069 5.532 0.032 7 0 "[ . 1]" 1 408 1 28 ILE HA 1 31 LEU MD2 5.000 . 5.500 2.141 1.948 2.448 . 0 0 "[ . 1]" 1 409 1 31 LEU QD 2 31 VAL MG2 3.300 . 5.000 1.697 1.594 1.748 0.006 5 0 "[ . 1]" 1 410 1 30 ALA MB 1 31 LEU QD 5.000 . 5.500 2.752 2.609 2.854 . 0 0 "[ . 1]" 1 411 1 32 ILE HA 1 35 ALA MB 5.000 . 5.500 3.495 3.319 3.656 . 0 0 "[ . 1]" 1 412 1 32 ILE HA 2 10 LEU QD 5.000 . 5.500 3.238 2.551 3.410 . 0 0 "[ . 1]" 1 413 1 9 CYS QB 1 32 ILE MD 5.000 . 5.500 4.055 3.603 4.285 . 0 0 "[ . 1]" 1 414 1 8 ALA MB 1 32 ILE MD 5.000 . 5.500 4.304 4.009 4.387 . 0 0 "[ . 1]" 1 415 1 9 CYS HA 1 32 ILE MD 5.000 . 5.500 3.821 3.124 4.008 . 0 0 "[ . 1]" 1 416 1 33 LYS HA 1 33 LYS QG 2.184 . 2.741 2.781 2.365 2.865 0.124 10 0 "[ . 1]" 1 417 1 33 LYS HA 1 33 LYS QD 2.342 . 3.027 2.211 1.833 2.594 . 0 0 "[ . 1]" 1 418 1 33 LYS HA 1 33 LYS QB 1.872 . 2.310 2.335 2.269 2.435 0.125 8 0 "[ . 1]" 1 419 1 33 LYS QB 1 33 LYS QE 2.704 . 3.618 3.593 3.040 3.774 0.156 9 0 "[ . 1]" 1 420 1 33 LYS QB 1 33 LYS QG 1.914 . 2.332 1.994 1.983 2.005 . 0 0 "[ . 1]" 1 421 1 33 LYS HB2 1 33 LYS HD2 1.951 . 2.427 2.510 2.182 3.147 0.720 7 1 "[ . + 1]" 1 422 1 33 LYS QE 1 33 LYS HG2 2.151 . 2.729 2.444 2.298 3.075 0.346 7 0 "[ . 1]" 1 423 1 30 ALA HA 1 33 LYS QG 5.000 . 5.500 3.988 3.488 4.825 . 0 0 "[ . 1]" 1 424 1 34 ALA MB 2 27 ILE HA 3.300 . 5.000 2.016 1.657 2.334 . 0 0 "[ . 1]" 1 425 1 34 ALA MB 2 27 ILE HG13 2.500 . 2.800 2.614 2.358 2.808 0.008 4 0 "[ . 1]" 1 426 1 34 ALA MB 2 27 ILE MD 3.000 . 3.300 2.720 2.546 2.918 . 0 0 "[ . 1]" 1 427 1 34 ALA MB 2 26 LYS QE 5.000 . 5.500 4.981 2.941 5.422 . 0 0 "[ . 1]" 1 428 1 34 ALA MB 2 30 SER QB 5.000 . 5.500 1.960 1.762 2.111 . 0 0 "[ . 1]" 1 429 1 35 ALA HA 2 27 ILE QG 2.600 . 2.900 2.904 2.679 3.027 0.127 3 0 "[ . 1]" 1 430 1 35 ALA HA 2 27 ILE MD 2.800 . 3.100 1.941 1.832 2.138 . 0 0 "[ . 1]" 1 431 1 35 ALA MB 2 13 LEU QB 5.000 . 5.500 3.803 3.721 3.928 . 0 0 "[ . 1]" 1 432 1 35 ALA MB 1 37 VAL MG1 5.000 . 5.500 1.869 1.745 2.091 . 0 0 "[ . 1]" 1 433 1 35 ALA MB 2 10 LEU QB 5.000 . 5.500 2.466 2.283 2.691 . 0 0 "[ . 1]" 1 434 1 35 ALA MB 2 27 ILE HA 5.000 . 5.500 4.376 4.170 4.515 . 0 0 "[ . 1]" 1 435 1 37 VAL HA 1 37 VAL QG 2.032 . 2.451 2.367 2.338 2.407 . 0 0 "[ . 1]" 1 436 1 37 VAL HB 1 37 VAL QG 2.004 . 2.301 1.889 1.886 1.892 . 0 0 "[ . 1]" 1 437 1 8 ALA MB 1 37 VAL QG 1.932 . 2.256 1.800 1.714 1.857 . 0 0 "[ . 1]" 1 438 1 37 VAL QG 2 14 GLY HA3 2.354 . 2.464 2.725 2.449 2.851 0.387 5 0 "[ . 1]" 1 439 1 37 VAL QG 2 13 LEU QD 1.851 . 2.279 2.350 2.291 2.404 0.125 6 0 "[ . 1]" 1 440 1 37 VAL MG2 2 13 LEU HG 2.254 . 2.889 2.939 2.902 2.976 0.087 5 0 "[ . 1]" 1 441 1 32 ILE HA 1 37 VAL MG1 5.000 . 5.500 2.935 2.877 3.009 . 0 0 "[ . 1]" 1 442 1 37 VAL QG 2 13 LEU HB2 2.248 . 2.757 2.808 2.528 3.111 0.354 3 0 "[ . 1]" 1 443 1 37 VAL MG1 1 39 VAL HA 3.300 . 5.000 5.113 4.818 5.223 0.223 6 0 "[ . 1]" 1 444 1 32 ILE MG 1 38 ASN QB 4.200 . 4.500 3.308 3.156 3.476 . 0 0 "[ . 1]" 1 445 1 38 ASN HA 1 38 ASN QB 2.017 . 2.526 2.408 2.366 2.478 . 0 0 "[ . 1]" 1 446 1 39 VAL HA 1 39 VAL QG 2.007 . 2.511 2.143 2.135 2.151 . 0 0 "[ . 1]" 1 447 1 39 VAL HB 1 39 VAL QG 1.986 . 2.309 1.887 1.880 1.891 . 0 0 "[ . 1]" 1 448 1 39 VAL HB 1 44 PRO QD 2.831 . 3.833 2.953 2.850 3.046 . 0 0 "[ . 1]" 1 449 1 39 VAL MG1 1 43 TRP QB 2.324 . 2.999 1.944 1.860 2.011 . 0 0 "[ . 1]" 1 450 1 38 ASN HA 1 39 VAL MG2 2.877 . 3.404 2.981 2.876 3.071 . 0 0 "[ . 1]" 1 451 1 39 VAL MG1 1 44 PRO QD 2.053 . 2.580 1.819 1.754 1.904 . 0 0 "[ . 1]" 1 452 1 9 CYS HA 1 39 VAL MG2 2.294 . 2.952 1.793 1.730 1.877 0.023 7 0 "[ . 1]" 1 453 1 8 ALA MB 1 39 VAL MG2 1.997 . 2.496 1.950 1.879 2.015 . 0 0 "[ . 1]" 1 454 1 9 CYS QB 1 39 VAL MG1 2.389 . 3.102 1.729 1.660 1.818 0.016 4 0 "[ . 1]" 1 455 1 39 VAL MG1 1 43 TRP HD1 2.510 . 3.298 2.547 2.453 2.618 . 0 0 "[ . 1]" 1 456 1 40 GLU HA 1 40 GLU QG 2.123 . 2.686 2.656 2.157 2.804 0.118 1 0 "[ . 1]" 1 457 1 40 GLU QB 1 40 GLU HG2 2.048 . 2.526 2.081 2.020 2.305 . 0 0 "[ . 1]" 1 458 1 40 GLU QG 1 41 PRO HD2 2.316 . 2.987 3.118 2.929 3.614 0.627 4 2 "[ +.- 1]" 1 459 1 40 GLU QG 1 43 TRP HD1 2.444 . 3.191 3.256 3.227 3.277 0.086 5 0 "[ . 1]" 1 460 1 40 GLU HG2 1 42 PHE HE1 2.733 . 3.667 2.565 1.926 4.336 0.669 4 2 "[ +.- 1]" 1 461 1 39 VAL QG 1 41 PRO HA 2.762 . 3.658 3.686 3.652 3.741 0.083 4 0 "[ . 1]" 1 462 1 41 PRO HA 1 41 PRO QG 2.127 . 2.693 2.765 2.753 2.790 0.097 6 0 "[ . 1]" 1 463 1 41 PRO HA 1 41 PRO QB 2.191 . 2.415 2.239 2.234 2.245 . 0 0 "[ . 1]" 1 464 1 41 PRO HA 1 41 PRO QD 2.580 . 3.286 3.324 3.307 3.354 0.068 6 0 "[ . 1]" 1 465 1 41 PRO QB 1 41 PRO HD2 2.572 . 3.355 2.764 2.745 2.783 . 0 0 "[ . 1]" 1 466 1 41 PRO QD 1 41 PRO HG2 2.088 . 2.633 2.006 2.001 2.023 . 0 0 "[ . 1]" 1 467 1 40 GLU HA 1 41 PRO QD 2.183 . 2.779 1.823 1.660 1.891 . 0 0 "[ . 1]" 1 468 1 42 PHE HA 1 42 PHE QD 2.651 . 3.530 3.590 3.575 3.618 0.088 4 0 "[ . 1]" 1 469 1 42 PHE HA 1 42 PHE QB 2.210 . 2.369 2.162 2.159 2.166 . 0 0 "[ . 1]" 1 470 1 42 PHE HB2 1 42 PHE HD2 2.492 . 3.268 3.028 2.143 3.251 . 0 0 "[ . 1]" 1 471 1 43 TRP HA 1 46 LEU MD2 2.613 . 3.384 3.105 3.019 3.202 . 0 0 "[ . 1]" 1 472 1 43 TRP HA 1 43 TRP QB 2.746 . 3.496 2.473 2.465 2.481 . 0 0 "[ . 1]" 1 473 1 42 PHE QD 1 43 TRP HA 2.787 . 3.758 3.813 3.789 3.837 0.079 4 0 "[ . 1]" 1 474 1 28 ILE MG 1 44 PRO HA 3.200 . 3.500 2.334 1.985 2.537 . 0 0 "[ . 1]" 1 475 1 44 PRO HA 1 44 PRO QG 2.596 . 3.304 2.810 2.793 2.826 . 0 0 "[ . 1]" 1 476 1 46 LEU HB2 1 46 LEU MD1 . . 2.437 1.930 1.920 1.942 . 0 0 "[ . 1]" 1 477 1 46 LEU HA 1 46 LEU MD1 2.092 . 2.481 2.474 2.410 2.517 0.036 8 0 "[ . 1]" 1 478 1 42 PHE QR 1 46 LEU MD2 2.762 . 3.660 2.017 1.904 2.121 . 0 0 "[ . 1]" 1 479 1 46 LEU MD1 1 50 ALA MB 5.000 . 5.500 2.514 2.267 2.774 . 0 0 "[ . 1]" 1 480 1 42 PHE HZ 1 46 LEU MD2 2.777 . 3.667 3.725 3.678 3.785 0.118 4 0 "[ . 1]" 1 481 1 42 PHE QD 1 46 LEU MD2 2.361 . 3.058 2.856 2.693 3.022 . 0 0 "[ . 1]" 1 482 1 47 PHE HA 1 47 PHE QD 2.655 . 3.536 2.947 2.803 3.009 . 0 0 "[ . 1]" 1 483 1 28 ILE MD 1 47 PHE HB3 2.510 . 3.298 1.927 1.813 2.005 . 0 0 "[ . 1]" 1 484 1 47 PHE HA 1 47 PHE QB 2.672 . 2.851 2.516 2.509 2.521 . 0 0 "[ . 1]" 1 485 1 47 PHE QB 1 47 PHE QD 2.540 . 3.346 2.112 2.103 2.129 . 0 0 "[ . 1]" 1 486 1 49 LYS HA 1 49 LYS QB 1.950 . 2.225 2.397 2.378 2.423 0.198 6 0 "[ . 1]" 1 487 1 49 LYS HA 1 49 LYS QD 2.115 . 2.590 2.721 2.658 2.820 0.230 7 0 "[ . 1]" 1 488 1 49 LYS HB2 1 49 LYS HD2 1.866 . 2.235 3.052 3.045 3.058 0.823 9 10 [*-******+*] 1 489 1 49 LYS QB 1 49 LYS HE2 2.607 . 3.456 2.737 2.635 2.858 . 0 0 "[ . 1]" 1 490 1 49 LYS QB 1 49 LYS HG2 1.892 . 2.340 2.300 2.204 2.326 . 0 0 "[ . 1]" 1 491 1 49 LYS HD2 1 49 LYS HG2 1.552 . 1.853 2.142 2.114 2.164 0.311 7 0 "[ . 1]" 1 492 1 49 LYS QD 1 49 LYS QE 1.768 . 2.121 2.093 2.091 2.096 . 0 0 "[ . 1]" 1 493 1 46 LEU QB 1 50 ALA MB 5.000 . 5.500 4.678 4.503 4.959 . 0 0 "[ . 1]" 1 494 1 50 ALA MB 1 51 LEU QD 1.774 . 2.168 1.984 1.860 2.124 . 0 0 "[ . 1]" 1 495 1 46 LEU HG 1 50 ALA MB 5.000 . 5.500 3.434 3.215 3.803 . 0 0 "[ . 1]" 1 496 1 47 PHE HA 1 50 ALA MB 5.000 . 5.500 2.786 2.428 3.150 . 0 0 "[ . 1]" 1 497 1 51 LEU QB 1 51 LEU QD 2.166 . 2.182 1.876 1.850 1.995 . 0 0 "[ . 1]" 1 498 1 48 ALA HA 1 51 LEU QB 2.735 . 3.670 3.269 3.162 3.391 . 0 0 "[ . 1]" 1 499 1 51 LEU HA 1 51 LEU QD . . 2.674 2.255 1.855 2.374 0.014 6 0 "[ . 1]" 1 500 1 13 ALA MB 1 51 LEU QD 2.187 . 2.785 1.771 1.615 2.251 . 0 0 "[ . 1]" 1 501 1 47 PHE QD 1 51 LEU QD 2.680 . 3.578 1.715 1.376 1.959 0.418 4 0 "[ . 1]" 1 502 1 48 ALA HA 1 51 LEU QD 2.471 . 3.234 3.341 3.292 3.470 0.236 6 0 "[ . 1]" 1 503 1 23 VAL QG 1 52 ALA HA 5.000 . 5.500 3.797 3.093 4.353 . 0 0 "[ . 1]" 1 504 1 53 ASN HA 1 53 ASN QB 2.278 . 2.391 2.354 2.182 2.412 0.021 5 0 "[ . 1]" 1 505 1 54 VAL HA 1 54 VAL QG 2.049 . 2.448 2.398 2.373 2.417 . 0 0 "[ . 1]" 1 506 1 54 VAL HB 1 58 SER QB 2.948 . 3.384 2.320 2.087 2.865 . 0 0 "[ . 1]" 1 507 1 54 VAL HB 1 54 VAL QG 1.925 . 2.189 1.894 1.891 1.896 . 0 0 "[ . 1]" 1 508 1 54 VAL QG 1 58 SER HB2 2.240 . 2.717 2.420 2.149 2.708 . 0 0 "[ . 1]" 1 509 1 51 LEU HA 1 54 VAL MG2 2.309 . 2.975 2.391 2.013 2.664 . 0 0 "[ . 1]" 1 510 1 55 ASN HA 1 55 ASN QB 2.391 . 2.512 2.363 2.179 2.474 . 0 0 "[ . 1]" 1 511 1 54 VAL MG2 1 55 ASN HA 2.399 . 3.119 3.245 3.165 3.310 0.191 6 0 "[ . 1]" 1 512 1 56 ILE HB 1 56 ILE QG 2.581 . 3.215 2.469 2.453 2.485 . 0 0 "[ . 1]" 1 513 1 56 ILE HB 1 56 ILE MG 1.909 . 2.365 2.118 2.111 2.122 . 0 0 "[ . 1]" 1 514 1 56 ILE HB 1 56 ILE MD 2.081 . 2.622 2.234 2.217 2.274 . 0 0 "[ . 1]" 1 515 1 56 ILE MD 1 56 ILE QG 1.893 . 2.341 1.885 1.882 1.888 . 0 0 "[ . 1]" 1 516 1 56 ILE HA 1 56 ILE MD 2.113 . 2.671 2.224 2.129 2.275 . 0 0 "[ . 1]" 1 517 1 17 HIS HD2 1 56 ILE MD 2.698 . 3.533 2.747 1.741 3.648 0.115 2 0 "[ . 1]" 1 518 1 56 ILE QG 1 56 ILE MG 2.174 . 2.720 2.089 2.075 2.102 . 0 0 "[ . 1]" 1 519 1 56 ILE QG 1 57 GLY HA3 3.300 . 4.305 4.296 4.177 4.441 0.136 7 0 "[ . 1]" 1 520 1 56 ILE MG 1 57 GLY QA 2.640 . 3.511 3.026 2.901 3.110 . 0 0 "[ . 1]" 1 521 1 57 GLY QA 1 60 ILE HB 2.578 . 3.408 3.291 3.170 3.421 0.013 3 0 "[ . 1]" 1 522 1 58 SER HA 1 58 SER QB 1.862 . 2.296 2.360 2.328 2.389 0.093 2 0 "[ . 1]" 1 523 1 59 LEU HA 1 59 LEU QD 2.014 . 2.396 2.009 1.991 2.017 . 0 0 "[ . 1]" 1 524 1 59 LEU QB 1 59 LEU MD1 2.024 . 2.521 1.949 1.933 1.959 . 0 0 "[ . 1]" 1 525 1 59 LEU HA 1 59 LEU QB 2.414 . 2.745 2.365 2.358 2.369 . 0 0 "[ . 1]" 1 526 1 56 ILE HA 1 59 LEU QB 2.715 . 3.635 3.710 3.697 3.722 0.087 4 0 "[ . 1]" 1 527 1 59 LEU QD 1 59 LEU HG 1.697 . 2.057 1.892 1.888 1.895 . 0 0 "[ . 1]" 1 528 1 56 ILE HA 1 59 LEU QD 2.131 . 2.698 2.655 2.563 2.744 0.046 6 0 "[ . 1]" 1 529 1 60 ILE HB 1 60 ILE QG 2.558 . 3.128 2.470 2.463 2.479 . 0 0 "[ . 1]" 1 530 1 60 ILE HB 1 60 ILE MG 1.926 . 2.390 2.130 2.127 2.135 . 0 0 "[ . 1]" 1 531 1 60 ILE MD 1 60 ILE QG 2.100 . 2.253 1.885 1.881 1.887 . 0 0 "[ . 1]" 1 532 1 61 CYS HA 1 61 CYS QB 1.998 . 2.301 2.404 2.376 2.433 0.132 10 0 "[ . 1]" 1 533 1 60 ILE MG 1 61 CYS HA 2.702 . 3.614 3.243 3.147 3.334 . 0 0 "[ . 1]" 1 534 1 60 ILE MG 1 61 CYS QB 2.591 . 3.430 3.263 3.080 3.417 . 0 0 "[ . 1]" 1 535 1 62 ASN HA 1 62 ASN QB 2.064 . 2.597 2.304 2.145 2.455 . 0 0 "[ . 1]" 1 536 1 63 VAL HA 1 63 VAL QG 1.819 . 2.211 2.217 2.190 2.242 0.031 4 0 "[ . 1]" 1 537 1 63 VAL HB 1 63 VAL QG 1.844 . 1.980 1.894 1.886 1.898 . 0 0 "[ . 1]" 1 538 1 65 ALA HA 1 65 ALA MB 1.786 . 2.185 2.124 2.096 2.131 . 0 0 "[ . 1]" 1 539 1 7 LEU QB 1 11 TYR HE2 2.303 . 2.966 3.073 3.053 3.102 0.136 9 0 "[ . 1]" 1 540 1 11 TYR QE 2 9 LEU MD2 2.432 . 3.034 2.541 2.400 2.815 . 0 0 "[ . 1]" 1 541 1 6 GLU QG 1 43 TRP HD1 2.998 . 4.122 3.304 2.780 4.189 0.067 5 0 "[ . 1]" 1 542 1 11 TYR HD1 2 13 LEU QD 2.869 . 3.539 4.655 4.605 4.677 1.138 8 10 [*******+-*] 1 543 1 11 TYR QD 2 9 LEU MD2 2.781 . 3.748 2.949 2.739 3.169 . 0 0 "[ . 1]" 1 544 2 2 MET ME 2 6 ALA MB 1.974 . 2.461 1.981 1.680 2.238 . 0 0 "[ . 1]" 1 545 2 2 MET ME 2 2 MET QG 1.971 . 2.212 2.185 2.166 2.202 . 0 0 "[ . 1]" 1 546 2 2 MET ME 2 4 TYR HA 3.300 . 5.000 4.692 4.481 4.894 . 0 0 "[ . 1]" 1 547 1 14 LEU QD 2 2 MET ME 1.586 . 1.901 1.633 1.504 1.924 0.070 6 0 "[ . 1]" 1 548 2 4 TYR HA 2 4 TYR QD 2.865 . 3.891 2.664 2.529 2.823 . 0 0 "[ . 1]" 1 549 2 4 TYR HB2 2 4 TYR HD2 2.578 . 3.409 2.168 2.155 2.179 . 0 0 "[ . 1]" 1 550 2 4 TYR HB3 2 43 VAL MG1 . . 2.488 2.729 2.504 3.034 0.546 8 2 "[ . + -]" 1 551 2 4 TYR HB2 2 24 ILE MG 5.000 . 5.500 2.579 2.436 2.780 . 0 0 "[ . 1]" 1 552 2 5 VAL HA 2 8 TYR QD 3.300 . 5.000 4.471 4.311 4.607 . 0 0 "[ . 1]" 1 553 2 5 VAL HA 2 47 LEU MD2 2.465 . 3.224 3.396 3.154 3.967 0.743 10 1 "[ . +]" 1 554 2 5 VAL HA 2 5 VAL QG 2.102 . 2.542 2.158 2.129 2.246 . 0 0 "[ . 1]" 1 555 2 5 VAL QG 2 47 LEU MD2 2.195 . 2.418 2.139 1.583 2.462 0.044 10 0 "[ . 1]" 1 556 2 5 VAL QG 2 47 LEU HG 3.300 . 5.000 3.363 2.949 3.815 . 0 0 "[ . 1]" 1 557 2 5 VAL HB 2 5 VAL QG 1.865 . 2.300 1.891 1.888 1.893 . 0 0 "[ . 1]" 1 558 2 5 VAL QG 2 6 ALA HA 2.369 . 3.071 3.216 3.186 3.267 0.196 10 0 "[ . 1]" 1 559 2 4 TYR HA 2 5 VAL QG 3.300 . 5.000 4.610 4.103 4.784 . 0 0 "[ . 1]" 1 560 2 6 ALA HA 2 6 ALA MB 2.518 . 2.606 2.122 2.116 2.125 . 0 0 "[ . 1]" 1 561 2 6 ALA MB 2 9 LEU HB2 2.800 . 5.000 2.959 2.882 3.040 . 0 0 "[ . 1]" 1 562 1 11 TYR HD1 2 6 ALA MB 2.340 . 3.025 3.020 2.889 3.077 0.052 8 0 "[ . 1]" 1 563 2 2 MET QG 2 6 ALA MB 2.562 . 3.204 3.247 3.195 3.302 0.098 3 0 "[ . 1]" 1 564 2 5 VAL HB 2 6 ALA MB 2.800 . 5.000 3.636 3.496 4.442 . 0 0 "[ . 1]" 1 565 2 8 TYR HA 2 8 TYR QB 2.580 . 2.717 2.394 2.378 2.413 . 0 0 "[ . 1]" 1 566 2 8 TYR HA 2 24 ILE MD 2.400 . 2.700 2.131 2.030 2.199 . 0 0 "[ . 1]" 1 567 2 8 TYR HA 2 11 ALA MB 2.568 . 2.974 2.948 2.870 3.017 0.043 8 0 "[ . 1]" 1 568 2 8 TYR HA 2 8 TYR QD 2.552 . 3.366 3.138 3.102 3.161 . 0 0 "[ . 1]" 1 569 2 8 TYR HB2 2 8 TYR HD1 2.556 . 3.307 2.271 2.254 2.284 . 0 0 "[ . 1]" 1 570 2 8 TYR QB 2 24 ILE MD 3.800 2.100 4.100 2.247 2.175 2.351 . 0 0 "[ . 1]" 1 571 2 9 LEU HA 2 12 ALA MB 2.315 . 2.557 2.616 2.553 2.642 0.085 3 0 "[ . 1]" 1 572 2 9 LEU HA 2 9 LEU QB 2.670 . 3.053 2.424 2.410 2.441 . 0 0 "[ . 1]" 1 573 2 9 LEU HB2 2 9 LEU MD1 2.532 . 2.766 2.023 1.979 2.045 . 0 0 "[ . 1]" 1 574 2 8 TYR HD1 2 9 LEU MD1 2.180 . 2.747 2.146 1.990 2.284 . 0 0 "[ . 1]" 1 575 2 9 LEU QD 2 9 LEU HG 1.926 . 2.390 1.885 1.881 1.888 . 0 0 "[ . 1]" 1 576 2 5 VAL HA 2 9 LEU MD1 2.636 . 3.505 2.337 2.221 2.478 . 0 0 "[ . 1]" 1 577 2 5 VAL HB 2 9 LEU QD 2.602 . 3.234 3.177 2.440 3.300 0.066 6 0 "[ . 1]" 1 578 2 9 LEU MD1 2 52 ILE QG 2.085 . 2.628 1.550 1.508 1.708 0.038 6 0 "[ . 1]" 1 579 2 9 LEU MD1 2 55 VAL HB 2.638 . 3.508 3.573 3.538 3.611 0.103 10 0 "[ . 1]" 1 580 2 10 LEU HA 2 10 LEU QD 2.125 . 2.689 1.849 1.722 2.407 0.085 3 0 "[ . 1]" 1 581 2 10 LEU QB 2 11 ALA HA 2.578 . 3.409 3.606 3.570 3.627 0.218 6 0 "[ . 1]" 1 582 2 10 LEU QB 2 10 LEU MD2 2.639 . 2.770 2.076 2.062 2.106 . 0 0 "[ . 1]" 1 583 1 15 ILE MD 2 10 LEU QB 2.520 . 3.314 2.495 2.385 2.683 . 0 0 "[ . 1]" 1 584 1 35 ALA MB 2 10 LEU QD 5.000 . 5.500 2.241 1.920 2.456 . 0 0 "[ . 1]" 1 585 2 10 LEU MD1 2 13 LEU QB 5.000 . 5.500 3.271 2.908 4.845 . 0 0 "[ . 1]" 1 586 1 11 TYR HD2 2 10 LEU QD 2.801 . 3.782 2.459 2.148 3.396 . 0 0 "[ . 1]" 1 587 1 12 SER HA 2 10 LEU QD 2.143 . 2.717 2.585 2.274 2.684 . 0 0 "[ . 1]" 1 588 2 11 ALA HA 2 27 ILE MD 3.800 2.100 4.100 3.162 2.827 3.433 . 0 0 "[ . 1]" 1 589 2 11 ALA HA 2 11 ALA MB 1.919 . 2.309 2.120 2.115 2.131 . 0 0 "[ . 1]" 1 590 2 11 ALA MB 2 16 ASN QB 2.517 . 3.069 2.638 2.456 3.020 . 0 0 "[ . 1]" 1 591 2 10 LEU QB 2 11 ALA MB 2.800 . 3.450 3.552 3.515 3.666 0.216 4 0 "[ . 1]" 1 592 2 11 ALA MB 2 27 ILE MD 3.400 . 3.700 2.408 1.985 2.757 . 0 0 "[ . 1]" 1 593 2 11 ALA MB 2 12 ALA HA 2.353 . 3.045 3.083 3.056 3.116 0.071 4 0 "[ . 1]" 1 594 2 12 ALA HA 2 12 ALA MB 1.879 . 2.262 2.120 2.114 2.125 . 0 0 "[ . 1]" 1 595 2 12 ALA MB 2 52 ILE MD 1.858 . 2.225 2.222 2.129 2.281 0.056 9 0 "[ . 1]" 1 596 2 8 TYR HD1 2 12 ALA MB 2.476 . 3.242 3.220 3.120 3.293 0.051 9 0 "[ . 1]" 1 597 2 13 LEU HA 2 13 LEU QB 2.454 . 2.820 2.530 2.520 2.539 . 0 0 "[ . 1]" 1 598 2 13 LEU HA 2 13 LEU QD 1.940 . 2.411 2.075 1.852 2.218 . 0 0 "[ . 1]" 1 599 2 13 LEU QB 2 13 LEU MD2 2.392 . 2.884 2.053 2.044 2.060 . 0 0 "[ . 1]" 1 600 2 13 LEU QD 2 13 LEU HG 2.041 . 2.527 1.891 1.889 1.896 . 0 0 "[ . 1]" 1 601 2 9 LEU HB3 2 13 LEU QD 2.800 . 5.000 3.212 3.107 3.359 . 0 0 "[ . 1]" 1 602 1 8 ALA HA 2 13 LEU QD 2.331 . 3.010 2.254 2.187 2.331 . 0 0 "[ . 1]" 1 603 1 11 TYR HE2 2 13 LEU QD 2.192 . 2.792 1.713 1.471 1.854 0.165 1 0 "[ . 1]" 1 604 2 16 ASN HA 2 16 ASN QB 2.639 . 2.850 2.340 2.270 2.397 . 0 0 "[ . 1]" 1 605 2 17 SER HA 2 52 ILE MD 2.777 . 3.741 3.573 3.469 3.730 . 0 0 "[ . 1]" 1 606 2 17 SER HA 2 17 SER QB 1.769 . 1.974 2.208 2.157 2.275 0.301 2 0 "[ . 1]" 1 607 2 12 ALA MB 2 17 SER HA 2.271 . 2.869 2.130 1.919 2.384 . 0 0 "[ . 1]" 1 608 2 18 SER HA 2 19 PRO QD 2.794 . 2.966 2.016 1.992 2.047 . 0 0 "[ . 1]" 1 609 2 18 SER HA 2 18 SER QB . . 2.374 2.368 2.328 2.397 0.023 8 0 "[ . 1]" 1 610 2 18 SER QB 2 19 PRO HD2 2.776 . 3.554 3.982 3.974 3.993 0.439 10 0 "[ . 1]" 1 611 2 19 PRO HA 2 19 PRO QG 2.226 . 2.845 2.904 2.860 2.952 0.107 10 0 "[ . 1]" 1 612 2 19 PRO HA 2 19 PRO QB 2.173 . 2.542 2.207 2.199 2.211 . 0 0 "[ . 1]" 1 613 2 19 PRO HA 2 23 ASP QB 2.658 . 3.094 3.153 3.102 3.198 0.104 2 0 "[ . 1]" 1 614 2 19 PRO QD 2 19 PRO HG2 2.319 . 2.991 2.149 2.146 2.153 . 0 0 "[ . 1]" 1 615 2 18 SER HA 2 19 PRO QG 2.808 . 3.793 3.910 3.885 3.935 0.142 5 0 "[ . 1]" 1 616 2 8 TYR HA 2 19 PRO QG 2.742 . 3.682 2.675 2.557 2.827 . 0 0 "[ . 1]" 1 617 2 8 TYR QR 2 19 PRO HG2 2.696 . 3.604 2.985 2.911 3.090 . 0 0 "[ . 1]" 1 618 2 20 SER HA 2 20 SER QB 2.118 . 2.476 2.224 2.165 2.333 . 0 0 "[ . 1]" 1 619 2 21 ALA HA 2 44 ILE MD 2.500 . 2.800 2.283 2.060 2.527 . 0 0 "[ . 1]" 1 620 2 21 ALA HA 2 21 ALA MB 2.020 . 2.249 2.124 2.118 2.128 . 0 0 "[ . 1]" 1 621 2 21 ALA MB 2 44 ILE MD 3.200 . 3.500 3.138 2.636 3.469 . 0 0 "[ . 1]" 1 622 2 22 LYS HA 2 22 LYS QB 1.883 . 2.198 2.428 2.417 2.442 0.244 6 0 "[ . 1]" 1 623 2 22 LYS HD2 2 22 LYS HE2 1.742 . 1.975 2.126 2.017 2.291 0.316 4 0 "[ . 1]" 1 624 2 23 ASP HA 2 26 LYS QG 2.624 . 3.453 3.164 2.578 3.741 0.288 5 0 "[ . 1]" 1 625 2 23 ASP HA 2 23 ASP QB 2.180 . 2.393 2.417 2.371 2.497 0.104 7 0 "[ . 1]" 1 626 2 24 ILE HA 2 24 ILE MG 3.300 . 5.000 2.330 2.231 2.396 . 0 0 "[ . 1]" 1 627 2 24 ILE HA 2 24 ILE MD 3.300 . 5.000 2.112 2.053 2.160 . 0 0 "[ . 1]" 1 628 2 24 ILE HA 2 24 ILE QG 3.300 . 5.000 3.060 3.039 3.080 . 0 0 "[ . 1]" 1 629 2 24 ILE HB 2 24 ILE MD 3.300 . 5.000 3.228 3.223 3.233 . 0 0 "[ . 1]" 1 630 2 24 ILE HG12 2 24 ILE MG 3.300 . 5.000 3.192 3.185 3.199 . 0 0 "[ . 1]" 1 631 2 4 TYR HD1 2 24 ILE MG 3.300 . 5.000 2.376 2.242 2.478 . 0 0 "[ . 1]" 1 632 2 4 TYR HA 2 24 ILE MG 3.300 . 5.000 3.142 2.867 3.282 . 0 0 "[ . 1]" 1 633 2 7 SER HA 2 24 ILE MG 3.300 . 5.000 4.196 4.136 4.291 . 0 0 "[ . 1]" 1 634 2 24 ILE MD 2 24 ILE MG 3.300 . 5.000 1.971 1.873 2.097 . 0 0 "[ . 1]" 1 635 2 4 TYR HB2 2 24 ILE MG 3.300 . 5.000 3.274 3.047 3.537 . 0 0 "[ . 1]" 1 636 2 4 TYR HE1 2 24 ILE MG 3.300 . 5.000 3.944 3.783 4.067 . 0 0 "[ . 1]" 1 637 2 25 LYS HA 2 25 LYS QG 2.272 . 2.917 2.812 2.609 2.897 . 0 0 "[ . 1]" 1 638 2 25 LYS HA 2 28 LEU MD2 3.300 . 5.000 2.686 2.224 3.101 . 0 0 "[ . 1]" 1 639 2 25 LYS HD2 2 25 LYS HG2 1.968 . 2.452 2.230 2.057 2.328 . 0 0 "[ . 1]" 1 640 2 25 LYS QE 2 25 LYS HG2 . . 2.446 2.900 2.527 3.090 0.644 9 7 "[**-*. * +*]" 1 641 2 25 LYS QB 2 25 LYS HG2 2.487 . 3.138 2.116 2.038 2.153 . 0 0 "[ . 1]" 1 642 2 26 LYS HA 2 26 LYS QG 2.232 . 2.854 2.816 2.499 2.925 0.071 1 0 "[ . 1]" 1 643 2 26 LYS HA 2 29 ASP QB 2.203 . 2.810 2.772 2.414 2.907 0.097 3 0 "[ . 1]" 1 644 2 23 ASP QB 2 26 LYS QB 3.300 . 5.000 4.078 3.782 4.449 . 0 0 "[ . 1]" 1 645 2 26 LYS QD 2 30 SER QB 3.300 . 5.000 4.804 4.442 5.235 0.235 3 0 "[ . 1]" 1 646 2 26 LYS QD 2 26 LYS QG 1.986 . 2.224 2.055 2.020 2.080 . 0 0 "[ . 1]" 1 647 2 26 LYS HA 2 26 LYS QD 3.300 . 5.000 2.375 1.593 3.950 0.007 2 0 "[ . 1]" 1 648 2 26 LYS QB 2 26 LYS HG2 2.111 . 2.648 2.085 2.051 2.099 . 0 0 "[ . 1]" 1 649 2 26 LYS QE 2 26 LYS QG 2.312 . 2.872 2.204 2.120 2.444 . 0 0 "[ . 1]" 1 650 2 27 ILE HA 2 27 ILE MG 3.300 . 5.000 2.711 2.661 2.745 . 0 0 "[ . 1]" 1 651 2 26 LYS QG 2 27 ILE HA 3.300 . 5.000 4.614 3.439 5.258 0.258 6 0 "[ . 1]" 1 652 2 27 ILE HB 2 27 ILE MD 3.300 . 5.000 2.411 2.302 2.471 . 0 0 "[ . 1]" 1 653 1 34 ALA MB 2 27 ILE MD 3.300 . 5.000 2.717 2.350 3.028 . 0 0 "[ . 1]" 1 654 2 27 ILE HA 2 27 ILE MD 3.300 . 5.000 2.510 2.325 2.905 . 0 0 "[ . 1]" 1 655 2 10 LEU QB 2 27 ILE MD 4.100 2.400 4.400 3.606 3.094 3.896 . 0 0 "[ . 1]" 1 656 1 31 LEU HA 2 27 ILE MG 3.300 . 5.000 2.184 1.961 2.428 . 0 0 "[ . 1]" 1 657 2 28 LEU HA 2 28 LEU QD 3.300 . 5.000 3.414 3.404 3.428 . 0 0 "[ . 1]" 1 658 2 25 LYS QD 2 28 LEU QB 3.300 . 5.000 4.719 4.119 4.869 . 0 0 "[ . 1]" 1 659 2 28 LEU QD 2 35 ALA HA 3.300 . 5.000 3.551 3.397 3.671 . 0 0 "[ . 1]" 1 660 2 28 LEU QD 2 35 ALA MB 3.300 . 3.600 1.693 1.638 1.751 . 0 0 "[ . 1]" 1 661 2 4 TYR HD1 2 28 LEU MD2 3.300 . 3.600 2.198 2.082 2.389 . 0 0 "[ . 1]" 1 662 2 4 TYR HE1 2 28 LEU MD2 3.300 . 3.600 2.313 2.113 2.700 . 0 0 "[ . 1]" 1 663 2 28 LEU MD1 2 34 GLU HA 3.300 . 5.000 3.620 3.167 4.088 . 0 0 "[ . 1]" 1 664 2 28 LEU MD1 2 29 ASP HA 3.300 . 5.000 2.863 2.596 3.042 . 0 0 "[ . 1]" 1 665 2 25 LYS QD 2 28 LEU MD2 3.300 . 5.000 2.742 2.153 3.069 . 0 0 "[ . 1]" 1 666 2 29 ASP HA 2 32 GLY QA 2.888 . 3.307 3.053 2.852 3.255 . 0 0 "[ . 1]" 1 667 2 29 ASP HA 2 29 ASP QB 2.169 . 2.634 2.421 2.364 2.514 . 0 0 "[ . 1]" 1 668 2 30 SER HA 2 30 SER QB 1.972 . 2.458 2.252 2.180 2.421 . 0 0 "[ . 1]" 1 669 1 34 ALA MB 2 30 SER HA 5.000 . 5.500 4.094 3.944 4.264 . 0 0 "[ . 1]" 1 670 2 31 VAL HA 2 31 VAL MG1 3.300 . 5.000 2.237 2.216 2.255 . 0 0 "[ . 1]" 1 671 1 27 LYS QG 2 31 VAL MG1 3.300 . 5.000 1.883 1.771 2.074 . 0 0 "[ . 1]" 1 672 1 27 LYS QE 2 31 VAL MG1 3.300 . 5.000 4.084 3.515 4.426 . 0 0 "[ . 1]" 1 673 1 16 LEU HB2 2 31 VAL MG1 3.300 . 5.000 3.466 3.401 3.517 . 0 0 "[ . 1]" 1 674 2 33 ILE HA 2 33 ILE MG 3.300 . 5.000 2.518 2.465 2.660 . 0 0 "[ . 1]" 1 675 2 33 ILE HB 2 33 ILE MD 3.300 . 5.000 2.498 2.235 2.567 . 0 0 "[ . 1]" 1 676 1 16 LEU HA 2 33 ILE MD 3.300 . 5.000 2.320 2.112 2.497 . 0 0 "[ . 1]" 1 677 2 33 ILE HA 2 33 ILE MD 3.300 . 5.000 3.607 3.577 3.626 . 0 0 "[ . 1]" 1 678 1 19 ASP QB 2 33 ILE MD 3.300 . 5.000 2.302 2.096 2.739 . 0 0 "[ . 1]" 1 679 1 19 ASP QB 2 33 ILE MD 3.300 . 5.000 2.324 2.106 2.816 . 0 0 "[ . 1]" 1 680 1 19 ASP QB 2 33 ILE MG 3.300 . 5.000 1.866 1.508 2.352 0.092 8 0 "[ . 1]" 1 681 2 33 ILE MG 2 34 GLU QB 3.300 . 5.000 3.928 3.615 4.260 . 0 0 "[ . 1]" 1 682 2 34 GLU HA 2 34 GLU QB 1.893 . 2.341 2.380 2.366 2.404 0.063 3 0 "[ . 1]" 1 683 2 34 GLU HA 2 34 GLU QG 2.175 . 2.542 2.395 2.298 2.666 0.124 3 0 "[ . 1]" 1 684 2 34 GLU QB 2 34 GLU QG 1.876 . 2.123 2.072 1.997 2.084 . 0 0 "[ . 1]" 1 685 2 35 ALA HA 2 35 ALA MB . . 2.467 2.122 2.117 2.126 . 0 0 "[ . 1]" 1 686 2 4 TYR QE 2 35 ALA HA 2.966 . 4.065 2.602 2.201 3.103 . 0 0 "[ . 1]" 1 687 2 4 TYR HE1 2 35 ALA MB 2.151 . 2.729 1.901 1.836 1.988 . 0 0 "[ . 1]" 1 688 2 25 LYS HA 2 35 ALA MB 2.563 . 3.382 3.426 3.301 3.497 0.115 6 0 "[ . 1]" 1 689 2 28 LEU QB 2 35 ALA MB 3.300 . 5.000 3.203 3.086 3.317 . 0 0 "[ . 1]" 1 690 2 25 LYS HE2 2 35 ALA MB 2.359 . 2.808 2.788 2.472 3.606 0.798 6 1 "[ .+ 1]" 1 691 2 35 ALA MB 2 40 LEU MD2 1.981 . 2.443 2.053 1.936 2.147 . 0 0 "[ . 1]" 1 692 2 4 TYR QD 2 35 ALA MB 2.684 . 3.460 3.254 3.058 3.391 . 0 0 "[ . 1]" 1 693 2 25 LYS QD 2 35 ALA MB 2.144 . 2.674 2.085 1.749 2.247 . 0 0 "[ . 1]" 1 694 2 36 ASP QB 2 39 ARG HG2 2.656 . 3.500 1.981 1.859 2.090 . 0 0 "[ . 1]" 1 695 2 36 ASP HA 2 36 ASP QB 2.368 . 2.999 2.380 2.310 2.427 . 0 0 "[ . 1]" 1 696 2 37 ASP HA 2 37 ASP QB 1.919 . 2.234 2.275 2.168 2.408 0.174 5 0 "[ . 1]" 1 697 2 37 ASP HA 2 40 LEU QB 3.300 . 5.000 4.540 4.391 4.644 . 0 0 "[ . 1]" 1 698 2 37 ASP HA 2 40 LEU MD1 2.126 . 2.691 1.657 1.603 1.683 0.151 3 0 "[ . 1]" 1 699 2 38 ASP HA 2 42 LYS QB 3.300 . 5.000 4.511 4.271 4.841 . 0 0 "[ . 1]" 1 700 2 38 ASP HA 2 40 LEU MD1 2.507 . 3.292 3.500 3.442 3.548 0.256 8 0 "[ . 1]" 1 701 2 38 ASP HA 2 38 ASP QB 1.864 . 2.174 2.319 2.280 2.360 0.186 10 0 "[ . 1]" 1 702 2 39 ARG HA 2 39 ARG QD 2.333 . 2.520 2.408 2.122 2.552 0.032 9 0 "[ . 1]" 1 703 2 38 ASP QB 2 39 ARG HA 3.300 . 5.000 3.946 3.712 4.240 . 0 0 "[ . 1]" 1 704 2 39 ARG HD2 2 39 ARG HG2 1.949 . 2.297 2.295 2.221 2.342 0.045 8 0 "[ . 1]" 1 705 2 40 LEU HA 2 40 LEU QB 2.633 . 3.184 2.126 2.106 2.134 . 0 0 "[ . 1]" 1 706 2 40 LEU HA 2 42 LYS QG 3.300 . 5.000 4.805 4.097 5.199 0.199 2 0 "[ . 1]" 1 707 2 40 LEU HA 2 40 LEU QD 2.800 . 3.275 3.325 3.298 3.354 0.079 10 0 "[ . 1]" 1 708 2 25 LYS QE 2 40 LEU MD2 2.460 . 3.183 3.153 2.001 3.409 0.226 6 0 "[ . 1]" 1 709 2 21 ALA HA 2 40 LEU MD1 2.243 . 2.872 2.442 2.276 2.541 . 0 0 "[ . 1]" 1 710 2 4 TYR QD 2 40 LEU MD2 2.269 . 2.913 2.977 2.898 3.032 0.119 8 0 "[ . 1]" 1 711 2 24 ILE HB 2 40 LEU MD2 3.300 . 5.000 1.857 1.740 1.971 . 0 0 "[ . 1]" 1 712 2 21 ALA HA 2 40 LEU QD 2.351 . 2.985 2.482 2.369 2.565 . 0 0 "[ . 1]" 1 713 2 25 LYS QD 2 40 LEU MD2 2.018 . 2.527 1.666 1.472 2.538 0.215 10 0 "[ . 1]" 1 714 2 40 LEU QD 2 40 LEU HG 1.888 . 2.310 1.880 1.872 1.886 . 0 0 "[ . 1]" 1 715 2 4 TYR QE 2 40 LEU MD2 2.489 . 3.263 3.235 3.141 3.286 0.023 6 0 "[ . 1]" 1 716 2 41 ASN HA 2 41 ASN QB 2.118 . 2.427 2.380 2.346 2.431 0.004 9 0 "[ . 1]" 1 717 2 41 ASN HA 2 44 ILE MG 2.582 . 3.415 3.478 3.414 3.524 0.109 6 0 "[ . 1]" 1 718 2 41 ASN HA 2 44 ILE MD 3.200 . 3.276 3.061 2.351 3.453 0.177 8 0 "[ . 1]" 1 719 2 43 VAL HA 2 43 VAL QG 2.220 . 2.314 2.233 2.208 2.259 . 0 0 "[ . 1]" 1 720 2 43 VAL HB 2 43 VAL QG . . 2.272 1.885 1.876 1.890 . 0 0 "[ . 1]" 1 721 2 4 TYR HA 2 43 VAL QG 3.300 . 5.000 3.914 3.672 4.130 . 0 0 "[ . 1]" 1 722 2 4 TYR QE 2 43 VAL MG1 3.300 . 5.000 4.130 4.077 4.185 . 0 0 "[ . 1]" 1 723 2 4 TYR QD 2 43 VAL MG1 2.225 . 2.844 2.904 2.732 2.944 0.100 7 0 "[ . 1]" 1 724 2 43 VAL MG2 2 47 LEU QD 2.120 . 2.682 2.029 1.875 2.120 . 0 0 "[ . 1]" 1 725 2 44 ILE HA 2 44 ILE QG 2.612 . 3.058 2.718 2.163 3.069 0.011 5 0 "[ . 1]" 1 726 2 44 ILE HA 2 44 ILE MD 3.300 . 5.000 2.699 2.010 3.681 . 0 0 "[ . 1]" 1 727 2 44 ILE HA 2 47 LEU MD1 3.300 . 5.000 4.322 4.029 4.682 . 0 0 "[ . 1]" 1 728 2 44 ILE HA 2 44 ILE MG 2.216 . 2.461 2.490 2.409 2.586 0.125 4 0 "[ . 1]" 1 729 2 44 ILE HB 2 44 ILE MG 2.031 . 2.198 2.104 2.088 2.113 . 0 0 "[ . 1]" 1 730 2 44 ILE HB 2 44 ILE QG 2.250 . 2.883 2.263 2.155 2.425 . 0 0 "[ . 1]" 1 731 2 44 ILE HB 2 44 ILE MD 2.800 2.036 3.110 2.811 2.233 3.187 0.077 5 0 "[ . 1]" 1 732 2 24 ILE HA 2 44 ILE MD 4.500 2.800 5.000 4.652 4.543 4.742 . 0 0 "[ . 1]" 1 733 2 20 SER HA 2 44 ILE MD 2.577 . 2.914 2.197 2.034 2.316 . 0 0 "[ . 1]" 1 734 2 8 TYR HD2 2 44 ILE MD 2.300 . 2.600 2.213 1.714 2.885 0.285 1 0 "[ . 1]" 1 735 2 8 TYR HE2 2 44 ILE MG 2.075 . 2.613 2.054 1.726 2.468 . 0 0 "[ . 1]" 1 736 2 44 ILE MD 2 44 ILE MG 1.663 . 2.009 2.042 2.006 2.081 0.072 3 0 "[ . 1]" 1 737 2 41 ASN HA 2 44 ILE MG 2.800 . 5.000 2.908 2.864 2.963 . 0 0 "[ . 1]" 1 738 2 44 ILE QG 2 44 ILE MG 1.899 . 2.310 2.166 2.123 2.199 . 0 0 "[ . 1]" 1 739 2 20 SER HA 2 44 ILE MG 2.509 . 3.002 2.102 1.837 2.255 . 0 0 "[ . 1]" 1 740 2 20 SER QB 2 44 ILE MG 2.382 . 3.091 3.119 3.089 3.150 0.059 4 0 "[ . 1]" 1 741 2 44 ILE MG 2 45 SER HA 2.611 . 3.348 3.119 3.047 3.198 . 0 0 "[ . 1]" 1 742 2 45 SER HA 2 45 SER QB 1.783 . 2.180 2.292 2.181 2.345 0.165 10 0 "[ . 1]" 1 743 2 45 SER HA 2 48 ASN QB 2.457 . 3.056 2.830 2.391 3.111 0.055 3 0 "[ . 1]" 1 744 2 46 GLU HA 2 46 GLU QB 1.986 . 2.479 2.366 2.306 2.412 . 0 0 "[ . 1]" 1 745 2 46 GLU HA 2 46 GLU QG 2.200 . 2.592 2.545 2.327 2.849 0.257 4 0 "[ . 1]" 1 746 2 47 LEU HA 2 47 LEU MD2 2.300 . 2.600 2.145 1.825 2.299 . 0 0 "[ . 1]" 1 747 2 47 LEU HA 2 47 LEU QB 2.620 . 2.982 2.381 2.264 2.498 . 0 0 "[ . 1]" 1 748 2 47 LEU HA 2 47 LEU MD1 2.732 . 3.665 3.053 2.217 3.751 0.086 2 0 "[ . 1]" 1 749 2 47 LEU QB 2 47 LEU QD . . 2.060 1.991 1.948 2.037 . 0 0 "[ . 1]" 1 750 2 46 GLU QB 2 47 LEU QD 2.375 . 3.080 2.554 2.334 2.879 . 0 0 "[ . 1]" 1 751 2 8 TYR QR 2 47 LEU MD1 2.349 . 3.039 2.401 2.286 2.524 . 0 0 "[ . 1]" 1 752 2 47 LEU QD 2 47 LEU HG 1.801 . 2.207 1.897 1.892 1.908 . 0 0 "[ . 1]" 1 753 2 43 VAL HA 2 47 LEU QD 2.664 . 3.551 3.161 3.014 3.313 . 0 0 "[ . 1]" 1 754 2 47 LEU HA 2 47 LEU QD 2.542 . 3.186 2.071 1.791 2.279 0.010 10 0 "[ . 1]" 1 755 2 5 VAL HA 2 47 LEU MD1 2.343 . 3.029 2.335 1.596 3.054 0.092 9 0 "[ . 1]" 1 756 2 48 ASN HA 2 48 ASN QB . . 2.260 2.340 2.281 2.402 0.142 4 0 "[ . 1]" 1 757 2 50 LYS HA 2 50 LYS QB 2.419 . 2.754 2.528 2.496 2.544 . 0 0 "[ . 1]" 1 758 2 50 LYS QB 2 55 VAL MG2 2.806 2.321 2.917 2.472 2.106 2.936 0.215 2 0 "[ . 1]" 1 759 2 50 LYS QB 2 50 LYS QG 2.211 . 2.822 2.006 1.996 2.014 . 0 0 "[ . 1]" 1 760 2 51 ASN HA 2 51 ASN QB 2.297 . 2.956 2.389 2.313 2.451 . 0 0 "[ . 1]" 1 761 2 52 ILE HA 2 52 ILE MD 2.021 . 2.454 2.524 2.508 2.538 0.084 4 0 "[ . 1]" 1 762 2 52 ILE HB 2 52 ILE QG 2.271 . 2.731 2.389 2.381 2.397 . 0 0 "[ . 1]" 1 763 2 52 ILE HB 2 52 ILE MD 1.919 . 2.379 2.414 2.385 2.441 0.062 3 0 "[ . 1]" 1 764 2 52 ILE MD 2 52 ILE QG 1.818 . 2.143 1.877 1.874 1.883 . 0 0 "[ . 1]" 1 765 2 52 ILE MG 2 53 GLU QG 2.190 . 2.790 2.667 2.496 2.849 0.059 1 0 "[ . 1]" 1 766 2 8 TYR HD1 2 52 ILE MG 3.300 . 5.000 4.167 4.031 4.440 . 0 0 "[ . 1]" 1 767 2 52 ILE HB 2 52 ILE MG 1.729 . 2.103 2.119 2.116 2.122 0.019 1 0 "[ . 1]" 1 768 2 52 ILE QG 2 52 ILE MG 1.745 . 2.125 2.068 2.064 2.076 . 0 0 "[ . 1]" 1 769 2 52 ILE HA 2 52 ILE MG 1.914 . 2.372 2.531 2.516 2.546 0.174 3 0 "[ . 1]" 1 770 2 53 GLU HA 2 56 ILE MD 2.800 . 3.307 3.410 3.368 3.460 0.153 7 0 "[ . 1]" 1 771 2 53 GLU HA 2 53 GLU QG 2.287 . 2.661 2.415 2.132 2.532 . 0 0 "[ . 1]" 1 772 2 53 GLU HA 2 53 GLU QB 2.073 . 2.467 2.370 2.319 2.501 0.034 1 0 "[ . 1]" 1 773 2 53 GLU QB 2 53 GLU HG2 1.781 . 1.966 2.139 2.026 2.354 0.388 6 0 "[ . 1]" 1 774 1 4 VAL MG2 2 53 GLU HG2 2.343 . 3.029 2.082 1.771 2.441 . 0 0 "[ . 1]" 1 775 2 54 ASP HA 2 54 ASP QB 2.224 . 2.347 2.290 2.223 2.355 0.008 6 0 "[ . 1]" 1 776 2 54 ASP HA 2 57 ALA MB 2.383 . 2.415 2.035 1.855 2.159 . 0 0 "[ . 1]" 1 777 2 55 VAL HB 2 55 VAL QG 2.092 . 2.279 1.891 1.889 1.893 . 0 0 "[ . 1]" 1 778 2 8 TYR HD1 2 55 VAL QG 3.300 . 5.000 4.507 4.479 4.543 . 0 0 "[ . 1]" 1 779 2 47 LEU QD 2 55 VAL QG 2.697 . 3.448 3.218 2.932 3.455 0.007 8 0 "[ . 1]" 1 780 2 55 VAL HA 2 55 VAL QG 1.981 . 2.364 2.159 2.153 2.166 . 0 0 "[ . 1]" 1 781 2 52 ILE HA 2 55 VAL MG2 3.300 . 5.000 2.482 2.375 2.669 . 0 0 "[ . 1]" 1 782 2 56 ILE HB 2 56 ILE QG 2.608 . 3.238 2.424 2.405 2.449 . 0 0 "[ . 1]" 1 783 2 56 ILE HB 2 56 ILE MG 1.813 . 2.224 2.138 2.130 2.147 . 0 0 "[ . 1]" 1 784 2 56 ILE QG 2 56 ILE MG 1.857 . 2.288 2.081 2.051 2.110 . 0 0 "[ . 1]" 1 785 2 56 ILE HA 2 56 ILE MG 1.974 . 2.461 2.348 2.278 2.478 0.017 1 0 "[ . 1]" 1 786 2 56 ILE MG 2 60 ILE HG13 1.908 . 2.363 2.290 2.181 2.418 0.055 1 0 "[ . 1]" 1 787 2 57 ALA HA 2 57 ALA MB 1.969 . 2.067 2.119 2.111 2.126 0.059 10 0 "[ . 1]" 1 788 2 57 ALA MB 2 58 GLN QG 2.400 . 3.109 3.059 2.971 3.114 0.005 1 0 "[ . 1]" 1 789 2 58 GLN HA 2 58 GLN QB 1.874 . 2.313 2.368 2.350 2.400 0.087 7 0 "[ . 1]" 1 790 2 58 GLN HA 2 58 GLN QG 2.133 . 2.474 2.507 2.402 2.681 0.207 10 0 "[ . 1]" 1 791 2 57 ALA MB 2 58 GLN HA 3.300 . 5.000 4.397 4.332 4.436 . 0 0 "[ . 1]" 1 792 2 55 VAL HA 2 58 GLN QB 3.300 . 5.000 5.053 4.889 5.129 0.129 7 0 "[ . 1]" 1 793 2 58 GLN QB 2 58 GLN HG2 2.054 . 2.381 2.121 2.103 2.128 . 0 0 "[ . 1]" 1 794 2 60 ILE HA 2 60 ILE MG 2.113 . 2.308 2.481 2.464 2.504 0.196 5 0 "[ . 1]" 1 795 2 60 ILE HA 2 60 ILE MD 2.071 . 2.491 2.608 2.587 2.645 0.154 1 0 "[ . 1]" 1 796 2 60 ILE HB 2 60 ILE QG 2.275 . 2.922 2.372 2.364 2.387 . 0 0 "[ . 1]" 1 797 2 60 ILE HB 2 60 ILE MD 1.937 . 2.220 2.319 2.302 2.335 0.115 9 0 "[ . 1]" 1 798 2 60 ILE HB 2 60 ILE MG 1.969 . 2.385 2.073 2.063 2.081 . 0 0 "[ . 1]" 1 799 2 60 ILE MD 2 60 ILE QG 1.726 . 2.071 1.871 1.865 1.873 . 0 0 "[ . 1]" 1 800 1 11 TYR HE1 2 60 ILE MD 3.300 . 5.000 4.840 4.721 5.004 0.004 6 0 "[ . 1]" 1 801 2 60 ILE QG 2 60 ILE MG 2.107 . 2.295 1.993 1.962 2.012 . 0 0 "[ . 1]" 1 802 1 11 TYR HE1 2 60 ILE MG 3.300 . 5.000 5.138 5.111 5.165 0.165 6 0 "[ . 1]" 1 803 2 62 LYS HA 2 62 LYS QG 2.103 . 2.652 2.438 2.146 2.864 0.212 9 0 "[ . 1]" 1 804 2 62 LYS HA 2 62 LYS QB 1.897 . 2.338 2.396 2.325 2.437 0.099 3 0 "[ . 1]" 1 805 2 63 LEU HA 2 63 LEU QB 2.139 . 2.547 2.453 2.409 2.491 . 0 0 "[ . 1]" 1 806 2 63 LEU HA 2 63 LEU MD1 1.919 . 2.263 2.376 2.333 2.402 0.139 1 0 "[ . 1]" 1 807 2 63 LEU QB 2 63 LEU HG 1.835 . 2.256 2.336 2.302 2.374 0.118 3 0 "[ . 1]" 1 808 2 63 LEU QB 2 63 LEU MD2 1.998 . 2.292 2.068 2.051 2.092 . 0 0 "[ . 1]" 1 809 2 63 LEU QD 2 63 LEU HG 1.763 . 2.138 1.883 1.879 1.888 . 0 0 "[ . 1]" 1 810 1 14 LEU HA 2 63 LEU QD 2.346 . 3.034 2.749 2.620 2.945 . 0 0 "[ . 1]" 1 811 1 14 LEU HB3 2 63 LEU MD2 2.342 . 2.999 2.272 1.840 2.722 . 0 0 "[ . 1]" 1 812 2 64 ALA HA 2 64 ALA MB 1.716 . 1.946 2.087 2.078 2.094 0.148 9 0 "[ . 1]" 1 813 2 65 SER HA 2 65 SER QB . . 1.988 2.175 2.152 2.237 0.249 5 0 "[ . 1]" 1 814 2 66 VAL HA 2 67 PRO QD 1.957 . 1.989 1.749 1.525 2.050 0.061 7 0 "[ . 1]" 1 815 2 66 VAL HA 2 66 VAL QG 1.957 . 2.250 2.142 2.080 2.300 0.050 7 0 "[ . 1]" 1 816 2 66 VAL HB 2 67 PRO QD 2.794 . 3.770 3.844 3.560 4.000 0.230 9 0 "[ . 1]" 1 817 2 66 VAL HB 2 66 VAL QG 1.993 . 2.037 1.891 1.887 1.892 . 0 0 "[ . 1]" 1 818 2 66 VAL QG 2 67 PRO QD 2.048 . 2.572 2.152 1.796 2.423 0.043 7 0 "[ . 1]" 1 819 2 67 PRO HA 2 67 PRO QD 2.166 . 2.288 2.515 2.443 2.562 0.274 9 0 "[ . 1]" 1 820 2 67 PRO QD 2 67 PRO QG 2.328 . 2.348 1.955 1.951 1.967 . 0 0 "[ . 1]" 1 821 2 67 PRO QB 2 67 PRO QG 2.058 . 2.276 1.949 1.944 1.960 . 0 0 "[ . 1]" 1 822 1 7 LEU QD 2 56 ILE QG 2.914 . 3.975 3.977 3.835 4.055 0.080 5 0 "[ . 1]" 1 823 2 9 LEU HG 2 56 ILE QG 3.300 . 5.000 2.668 2.392 2.968 . 0 0 "[ . 1]" 1 824 1 1 MET QG 2 53 GLU QG 3.300 . 5.000 4.426 3.846 4.852 . 0 0 "[ . 1]" 1 825 1 1 MET ME 1 1 MET QG 2.631 . 3.496 2.312 2.190 2.424 . 0 0 "[ . 1]" 1 826 1 2 ALA MB 1 7 LEU HG 3.300 . 5.000 4.114 4.052 4.180 . 0 0 "[ . 1]" 1 827 1 2 ALA MB 1 6 GLU HB2 2.800 . 5.000 3.144 2.550 4.463 . 0 0 "[ . 1]" 1 828 1 4 VAL QG 1 7 LEU MD2 2.308 . 2.974 3.050 3.001 3.110 0.136 1 0 "[ . 1]" 1 829 1 6 GLU HA 1 6 GLU QB 2.447 . 3.196 2.332 2.311 2.362 . 0 0 "[ . 1]" 1 830 1 7 LEU HA 1 10 ILE MD 2.491 . 3.216 1.644 1.598 1.683 0.117 3 0 "[ . 1]" 1 831 1 7 LEU QD 1 7 LEU HG 2.123 . 2.686 1.883 1.878 1.887 . 0 0 "[ . 1]" 1 832 1 8 ALA MB 1 32 ILE QG 5.000 . 5.500 3.391 3.062 3.482 . 0 0 "[ . 1]" 1 833 1 9 CYS HA 1 28 ILE MG 4.000 . 4.300 2.858 2.704 3.007 . 0 0 "[ . 1]" 1 834 1 6 GLU QB 1 10 ILE MD 2.800 . 5.000 3.562 3.273 4.066 . 0 0 "[ . 1]" 1 835 1 10 ILE MD 1 10 ILE MG 2.171 . 2.515 1.917 1.876 1.951 . 0 0 "[ . 1]" 1 836 1 7 LEU MD1 1 10 ILE MD 2.448 . 3.197 1.657 1.541 1.714 0.158 6 0 "[ . 1]" 1 837 1 10 ILE MG 1 14 LEU HG 3.300 . 5.000 3.784 3.720 3.834 . 0 0 "[ . 1]" 1 838 1 7 LEU HA 1 10 ILE MG 2.517 . 3.309 3.482 3.415 3.537 0.228 10 0 "[ . 1]" 1 839 1 10 ILE MG 1 59 LEU QD 2.483 . 3.253 2.004 1.835 2.146 . 0 0 "[ . 1]" 1 840 1 11 TYR HA 1 11 TYR QB 2.583 . 3.417 2.369 2.354 2.377 . 0 0 "[ . 1]" 1 841 1 14 LEU HA 1 14 LEU QB 2.374 . 3.079 2.496 2.488 2.504 . 0 0 "[ . 1]" 1 842 1 13 ALA MB 1 14 LEU HA 2.582 . 3.415 3.522 3.466 3.586 0.171 2 0 "[ . 1]" 1 843 1 14 LEU QD 1 14 LEU HG . . 1.667 1.861 1.858 1.863 0.196 3 0 "[ . 1]" 1 844 1 14 LEU QB 1 14 LEU MD2 2.167 . 2.420 2.062 2.053 2.070 . 0 0 "[ . 1]" 1 845 1 14 LEU QD 1 56 ILE MG 2.208 . 2.818 2.374 2.198 2.588 . 0 0 "[ . 1]" 1 846 1 14 LEU QD 1 56 ILE MD 2.568 . 3.392 1.573 1.407 1.700 0.337 2 0 "[ . 1]" 1 847 1 15 ILE MD 1 15 ILE MG 2.161 . 2.745 1.840 1.782 1.893 . 0 0 "[ . 1]" 1 848 1 15 ILE HB 1 15 ILE MD 2.398 . 3.117 3.181 3.160 3.194 0.077 3 0 "[ . 1]" 1 849 1 15 ILE MG 1 31 LEU QD 5.000 . 5.500 3.029 2.891 3.176 . 0 0 "[ . 1]" 1 850 1 15 ILE MG 1 31 LEU QD 5.000 . 5.500 3.067 2.909 3.231 . 0 0 "[ . 1]" 1 851 1 16 LEU HA 1 16 LEU QB 2.502 . 3.285 2.512 2.501 2.522 . 0 0 "[ . 1]" 1 852 1 16 LEU MD1 1 27 LYS QD 2.556 . 3.372 2.934 2.204 3.467 0.095 6 0 "[ . 1]" 1 853 1 16 LEU QB 1 16 LEU QD 2.549 . 3.361 1.948 1.927 1.961 . 0 0 "[ . 1]" 1 854 1 20 GLU HA 1 20 GLU QB 1.995 . 2.492 2.388 2.360 2.435 . 0 0 "[ . 1]" 1 855 1 20 GLU QB 1 20 GLU HG3 2.081 . 2.195 2.114 2.097 2.125 . 0 0 "[ . 1]" 1 856 1 21 VAL HB 1 22 THR MG 3.300 . 5.500 5.208 5.073 5.444 . 0 0 "[ . 1]" 1 857 1 22 THR MG 1 23 VAL HA 3.300 . 5.500 5.477 5.416 5.508 0.008 2 0 "[ . 1]" 1 858 1 23 VAL MG1 1 28 ILE MD 3.600 . 3.900 2.645 2.333 2.955 . 0 0 "[ . 1]" 1 859 1 23 VAL MG1 1 48 ALA MB 2.189 . 2.788 2.657 2.588 2.731 . 0 0 "[ . 1]" 1 860 1 23 VAL QG 1 51 LEU QD 2.335 . 3.016 2.306 2.030 2.868 . 0 0 "[ . 1]" 1 861 1 23 VAL MG1 1 48 ALA MB 2.163 . 2.748 2.699 2.642 2.764 0.016 5 0 "[ . 1]" 1 862 1 24 THR MG 1 27 LYS QE 2.284 . 2.936 2.858 2.702 3.031 0.095 2 0 "[ . 1]" 1 863 1 24 THR HA 1 24 THR MG 1.926 . 2.369 2.382 2.343 2.434 0.065 2 0 "[ . 1]" 1 864 1 24 THR MG 1 26 ASP QB 3.300 . 5.000 4.482 3.914 4.959 . 0 0 "[ . 1]" 1 865 1 28 ILE HA 1 31 LEU MD2 3.300 . 3.600 2.142 1.949 2.450 . 0 0 "[ . 1]" 1 866 1 31 LEU HA 1 34 ALA MB 5.000 . 5.500 2.673 2.370 2.946 . 0 0 "[ . 1]" 1 867 1 30 ALA MB 1 31 LEU QD 5.000 . 5.500 1.771 1.654 1.945 . 0 0 "[ . 1]" 1 868 1 31 LEU MD1 1 34 ALA MB 5.000 . 5.500 2.132 2.037 2.236 . 0 0 "[ . 1]" 1 869 1 15 ILE MD 1 31 LEU QD 5.000 . 5.500 3.337 3.241 3.426 . 0 0 "[ . 1]" 1 870 1 12 SER HA 1 31 LEU MD2 5.000 . 5.500 3.160 2.858 3.326 . 0 0 "[ . 1]" 1 871 1 16 LEU QB 1 31 LEU MD2 5.000 . 5.500 3.365 3.156 3.594 . 0 0 "[ . 1]" 1 872 1 32 ILE MD 1 39 VAL MG2 3.300 . 3.800 2.242 2.092 2.343 . 0 0 "[ . 1]" 1 873 1 32 ILE MD 1 44 PRO HB2 4.000 2.300 4.300 4.300 4.180 4.440 0.140 3 0 "[ . 1]" 1 874 1 32 ILE MG 1 33 LYS HA 5.000 . 5.500 2.968 2.898 3.053 . 0 0 "[ . 1]" 1 875 1 33 LYS QD 1 33 LYS QG 1.793 . 2.195 2.079 2.018 2.089 . 0 0 "[ . 1]" 1 876 1 8 ALA MB 1 37 VAL HB 3.300 . 5.000 3.937 3.877 3.997 . 0 0 "[ . 1]" 1 877 1 4 VAL MG1 1 37 VAL MG2 1.983 . 2.475 2.001 1.938 2.070 . 0 0 "[ . 1]" 1 878 1 8 ALA MB 1 39 VAL HA 3.300 . 5.000 3.908 3.670 4.141 . 0 0 "[ . 1]" 1 879 1 8 ALA MB 1 39 VAL HB 3.300 . 5.000 4.589 4.512 4.654 . 0 0 "[ . 1]" 1 880 1 32 ILE HB 1 39 VAL MG2 5.000 . 5.500 4.505 4.350 4.729 . 0 0 "[ . 1]" 1 881 1 39 VAL MG1 1 43 TRP HA 3.300 . 5.000 4.433 4.379 4.509 . 0 0 "[ . 1]" 1 882 1 5 SER HA 1 39 VAL QG 2.162 . 2.746 2.601 2.459 2.688 . 0 0 "[ . 1]" 1 883 1 32 ILE MG 1 39 VAL MG2 5.000 . 5.500 2.982 2.640 3.218 . 0 0 "[ . 1]" 1 884 1 41 PRO QB 1 41 PRO HG2 . . 2.231 2.144 2.139 2.152 . 0 0 "[ . 1]" 1 885 1 44 PRO HA 1 47 PHE QB 2.596 . 3.438 2.528 2.479 2.559 . 0 0 "[ . 1]" 1 886 1 46 LEU QD 1 46 LEU HG 2.157 . 2.738 1.897 1.894 1.899 . 0 0 "[ . 1]" 1 887 1 46 LEU MD1 1 47 PHE HA 2.310 . 2.977 2.901 2.481 3.034 0.057 10 0 "[ . 1]" 1 888 1 49 LYS HA 1 52 ALA MB 5.000 . 5.500 4.159 3.760 4.584 . 0 0 "[ . 1]" 1 889 1 49 LYS QE 1 49 LYS HG3 1.856 . 2.287 2.291 2.230 2.331 0.044 2 0 "[ . 1]" 1 890 1 51 LEU QD 1 51 LEU HG 1.803 . 2.209 1.897 1.887 1.902 . 0 0 "[ . 1]" 1 891 1 13 ALA MB 1 51 LEU QD 2.453 . 3.205 1.772 1.615 2.258 0.086 7 0 "[ . 1]" 1 892 1 47 PHE HA 1 51 LEU MD1 2.450 . 3.200 2.637 2.332 2.842 . 0 0 "[ . 1]" 1 893 1 28 ILE MD 1 51 LEU MD1 2.491 . 3.267 2.318 2.076 3.016 . 0 0 "[ . 1]" 1 894 1 51 LEU QD 1 56 ILE HB 2.499 . 3.279 3.388 3.300 3.458 0.179 3 0 "[ . 1]" 1 895 1 56 ILE HA 1 56 ILE MG 2.409 . 3.135 3.208 3.187 3.221 0.086 4 0 "[ . 1]" 1 896 1 10 ILE MG 1 56 ILE MD 2.355 . 3.048 2.822 2.420 3.051 0.003 2 0 "[ . 1]" 1 897 1 56 ILE MD 1 56 ILE MG 2.800 . 5.000 3.130 3.108 3.152 . 0 0 "[ . 1]" 1 898 1 56 ILE MD 1 59 LEU QD 2.277 . 2.925 1.753 1.652 1.882 . 0 0 "[ . 1]" 1 899 1 56 ILE MD 1 59 LEU HG 2.328 . 3.005 2.913 2.752 3.025 0.020 5 0 "[ . 1]" 1 900 1 58 SER HA 1 61 CYS QB 2.497 . 3.276 3.129 2.797 3.328 0.052 6 0 "[ . 1]" 1 901 1 59 LEU HA 1 62 ASN QB 2.626 . 3.488 3.407 2.975 3.565 0.077 3 0 "[ . 1]" 1 902 1 50 ALA MB 1 59 LEU QD 5.000 . 5.500 3.667 3.212 4.052 . 0 0 "[ . 1]" 1 903 1 60 ILE HA 1 60 ILE MD 2.722 . 3.648 3.584 3.559 3.624 . 0 0 "[ . 1]" 1 904 1 60 ILE HA 1 60 ILE MG 2.319 . 2.991 2.901 2.849 2.925 . 0 0 "[ . 1]" 1 905 1 60 ILE HB 1 60 ILE MD 2.407 . 2.496 2.205 2.182 2.226 . 0 0 "[ . 1]" 1 906 1 60 ILE MD 1 60 ILE MG 1.837 . 2.259 2.254 2.228 2.277 0.018 10 0 "[ . 1]" 1 907 1 57 GLY QA 1 60 ILE MD 2.658 . 3.091 2.793 2.520 3.075 . 0 0 "[ . 1]" 1 908 1 63 VAL HA 1 64 GLY QA 3.300 . 5.000 4.024 3.939 4.164 . 0 0 "[ . 1]" 1 909 1 68 PRO HA 1 68 PRO QB 2.408 . 3.133 2.195 2.178 2.213 . 0 0 "[ . 1]" 1 910 1 67 GLY QA 1 68 PRO HA 3.300 . 5.000 4.113 4.020 4.261 . 0 0 "[ . 1]" 1 911 1 14 LEU HB3 2 2 MET ME 2.557 . 3.374 2.091 1.988 2.269 . 0 0 "[ . 1]" 1 912 2 5 VAL HA 2 8 TYR QB 2.629 . 3.493 2.731 2.560 2.877 . 0 0 "[ . 1]" 1 913 2 9 LEU QD 2 56 ILE MD 3.300 . 5.000 1.861 1.758 2.060 . 0 0 "[ . 1]" 1 914 2 9 LEU MD1 2 52 ILE MG 2.223 . 2.841 2.260 2.125 2.450 . 0 0 "[ . 1]" 1 915 2 9 LEU MD2 2 56 ILE QG 3.300 . 5.000 2.169 1.969 2.354 . 0 0 "[ . 1]" 1 916 2 9 LEU MD2 2 56 ILE MG 3.300 . 5.000 3.557 3.434 3.801 . 0 0 "[ . 1]" 1 917 2 10 LEU HA 2 10 LEU QB 2.371 . 3.074 2.497 2.485 2.525 . 0 0 "[ . 1]" 1 918 2 10 LEU QD 2 27 ILE MG 3.300 . 5.000 2.076 1.824 2.552 . 0 0 "[ . 1]" 1 919 2 11 ALA MB 2 19 PRO QB 2.241 . 2.869 1.853 1.742 1.991 . 0 0 "[ . 1]" 1 920 2 11 ALA MB 2 24 ILE MD 3.300 . 5.000 3.328 3.171 3.508 . 0 0 "[ . 1]" 1 921 2 12 ALA MB 2 52 ILE HG12 2.148 . 2.725 1.713 1.579 1.855 . 0 0 "[ . 1]" 1 922 1 4 VAL HB 2 13 LEU QD 3.300 . 5.000 4.106 4.001 4.228 . 0 0 "[ . 1]" 1 923 2 11 ALA MB 2 19 PRO HA 2.616 . 3.472 3.250 3.207 3.310 . 0 0 "[ . 1]" 1 924 2 19 PRO HA 2 19 PRO QD 2.671 . 3.410 3.443 3.430 3.462 0.052 10 0 "[ . 1]" 1 925 2 11 ALA MB 2 19 PRO QG 2.615 . 3.470 2.165 2.061 2.320 . 0 0 "[ . 1]" 1 926 2 20 SER HA 2 21 ALA MB 3.300 . 5.000 4.192 4.154 4.216 . 0 0 "[ . 1]" 1 927 2 21 ALA MB 2 40 LEU QB 2.371 . 3.074 3.195 3.152 3.237 0.163 7 0 "[ . 1]" 1 928 2 21 ALA MB 2 24 ILE HB 5.000 . 5.500 3.535 3.405 3.680 . 0 0 "[ . 1]" 1 929 2 21 ALA MB 2 40 LEU MD1 2.150 . 2.728 1.566 1.505 1.700 0.067 8 0 "[ . 1]" 1 930 2 21 ALA MB 2 22 LYS QD 2.067 . 2.476 2.298 2.123 2.434 . 0 0 "[ . 1]" 1 931 2 22 LYS HA 2 22 LYS QG 2.182 . 2.777 2.380 2.327 2.424 . 0 0 "[ . 1]" 1 932 2 22 LYS HA 2 22 LYS QD 2.035 . 2.552 2.587 2.533 2.625 0.073 7 0 "[ . 1]" 1 933 2 22 LYS QB 2 22 LYS HG3 1.995 . 2.237 2.127 2.123 2.132 . 0 0 "[ . 1]" 1 934 2 22 LYS HB2 2 22 LYS QD 1.846 . 2.272 2.358 2.324 2.412 0.140 6 0 "[ . 1]" 1 935 2 22 LYS HD2 2 22 LYS HG2 1.555 . 1.857 2.257 2.227 2.335 0.478 6 0 "[ . 1]" 1 936 2 22 LYS HE2 2 22 LYS HG2 2.065 . 2.598 2.357 2.163 2.828 0.230 8 0 "[ . 1]" 1 937 2 23 ASP HA 2 26 LYS QD 3.300 . 5.000 4.129 1.925 5.012 0.012 4 0 "[ . 1]" 1 938 2 24 ILE HA 2 27 ILE MD 4.100 2.400 4.400 3.421 3.060 3.739 . 0 0 "[ . 1]" 1 939 2 9 LEU HA 2 24 ILE MD 3.300 . 5.000 4.771 4.627 4.896 . 0 0 "[ . 1]" 1 940 2 19 PRO QD 2 24 ILE MD 3.300 . 5.000 4.675 4.568 4.775 . 0 0 "[ . 1]" 1 941 2 24 ILE MG 2 40 LEU MD2 3.300 . 5.000 2.159 2.038 2.299 . 0 0 "[ . 1]" 1 942 2 24 ILE MG 2 28 LEU MD2 3.300 . 5.000 1.703 1.565 1.802 0.035 6 0 "[ . 1]" 1 943 2 25 LYS HA 2 25 LYS QB 2.124 . 2.688 2.419 2.389 2.480 . 0 0 "[ . 1]" 1 944 2 25 LYS QD 2 25 LYS HE3 1.961 . 2.136 2.103 2.092 2.121 . 0 0 "[ . 1]" 1 945 2 25 LYS QB 2 25 LYS HE3 2.318 . 2.902 2.906 1.903 3.887 0.985 6 1 "[ .+ 1]" 1 946 2 26 LYS QB 2 26 LYS HD3 2.056 . 2.278 2.337 2.132 2.816 0.538 1 1 "[+ . 1]" 1 947 2 26 LYS QD 2 26 LYS HE3 1.909 . 2.365 2.128 2.116 2.134 . 0 0 "[ . 1]" 1 948 2 26 LYS QD 2 27 ILE HA 3.300 . 5.000 4.637 2.853 5.137 0.137 9 0 "[ . 1]" 1 949 2 7 SER HA 2 27 ILE MD 3.300 . 5.000 3.204 2.816 3.455 . 0 0 "[ . 1]" 1 950 2 10 LEU QD 2 27 ILE MD 5.000 . 5.300 3.597 3.291 4.108 . 0 0 "[ . 1]" 1 951 2 26 LYS QD 2 27 ILE MD 3.300 . 5.000 3.655 1.584 4.466 0.016 5 0 "[ . 1]" 1 952 2 27 ILE MD 2 27 ILE MG 3.300 . 5.000 3.240 3.153 3.259 . 0 0 "[ . 1]" 1 953 2 24 ILE MG 2 28 LEU MD2 3.300 . 5.000 1.784 1.600 1.949 . 0 0 "[ . 1]" 1 954 2 28 LEU MD1 2 33 ILE HB 3.300 . 5.000 3.410 3.064 3.668 . 0 0 "[ . 1]" 1 955 2 31 VAL MG2 2 33 ILE HB 3.300 . 5.000 2.888 2.744 3.116 . 0 0 "[ . 1]" 1 956 2 28 LEU HA 2 31 VAL MG2 3.000 . 3.300 2.536 2.348 2.737 . 0 0 "[ . 1]" 1 957 2 31 VAL MG2 2 33 ILE MD 2.600 . 2.900 2.320 1.780 2.480 . 0 0 "[ . 1]" 1 958 2 33 ILE MD 2 33 ILE MG 3.300 . 5.000 1.968 1.895 2.467 . 0 0 "[ . 1]" 1 959 2 28 LEU HB3 2 33 ILE MG 3.300 . 5.000 3.298 2.998 3.793 . 0 0 "[ . 1]" 1 960 2 28 LEU MD1 2 33 ILE MG 3.300 . 5.000 3.198 2.657 3.473 . 0 0 "[ . 1]" 1 961 1 18 ASP HB3 2 33 ILE MG 3.300 . 5.000 3.040 2.342 3.570 . 0 0 "[ . 1]" 1 962 2 38 ASP HA 2 41 ASN QB 2.217 . 2.346 2.349 2.216 2.467 0.121 2 0 "[ . 1]" 1 963 2 39 ARG HA 2 39 ARG QB 2.239 . 2.569 2.327 2.278 2.353 . 0 0 "[ . 1]" 1 964 2 39 ARG QB 2 39 ARG HD2 2.152 . 2.287 2.282 2.163 2.483 0.196 6 0 "[ . 1]" 1 965 2 40 LEU QB 2 40 LEU QD 2.149 . 2.726 1.870 1.856 1.892 . 0 0 "[ . 1]" 1 966 2 21 ALA HA 2 40 LEU MD1 2.613 . 3.435 2.404 2.325 2.471 . 0 0 "[ . 1]" 1 967 2 24 ILE MD 2 40 LEU MD2 2.639 . 3.510 3.296 2.947 3.548 0.038 6 0 "[ . 1]" 1 968 2 21 ALA MB 2 40 LEU MD1 5.000 . 5.500 1.530 1.481 1.655 . 0 0 "[ . 1]" 1 969 2 21 ALA MB 2 41 ASN HA 2.483 . 3.254 2.012 1.855 2.229 . 0 0 "[ . 1]" 1 970 2 40 LEU HA 2 43 VAL MG1 2.374 . 3.079 1.788 1.665 1.874 0.004 4 0 "[ . 1]" 1 971 2 40 LEU QD 2 44 ILE MD 3.300 . 5.500 3.332 3.001 3.573 . 0 0 "[ . 1]" 1 972 2 44 ILE MD 2 44 ILE QG 1.840 . 2.263 1.860 1.848 1.866 . 0 0 "[ . 1]" 1 973 2 43 VAL QG 2 44 ILE MD 2.168 . 2.755 2.705 2.519 2.906 0.151 10 0 "[ . 1]" 1 974 2 44 ILE MG 2 48 ASN QB 2.260 . 2.899 2.944 2.824 3.029 0.130 10 0 "[ . 1]" 1 975 2 46 GLU QB 2 46 GLU HG2 2.095 . 2.545 2.250 2.123 2.313 . 0 0 "[ . 1]" 1 976 2 43 VAL MG2 2 47 LEU MD1 2.107 . 2.662 2.023 1.873 2.109 . 0 0 "[ . 1]" 1 977 2 47 LEU QD 2 50 LYS HD2 2.712 . 3.439 3.464 3.142 3.595 0.156 8 0 "[ . 1]" 1 978 2 5 VAL QG 2 47 LEU MD2 2.296 . 2.955 1.850 1.532 2.006 0.105 5 0 "[ . 1]" 1 979 2 50 LYS HA 2 50 LYS QG 2.200 . 2.805 2.431 2.328 2.648 . 0 0 "[ . 1]" 1 980 2 9 LEU MD1 2 52 ILE MD 2.218 . 2.833 2.949 2.881 3.010 0.177 9 0 "[ . 1]" 1 981 2 52 ILE MD 2 52 ILE MG 2.800 . 5.000 3.225 3.217 3.236 . 0 0 "[ . 1]" 1 982 2 47 LEU MD2 2 55 VAL QG 2.185 . 2.782 2.189 1.839 2.550 . 0 0 "[ . 1]" 1 983 2 50 LYS QD 2 55 VAL MG2 2.266 . 2.908 2.663 2.544 2.897 . 0 0 "[ . 1]" 1 984 2 56 ILE HA 2 56 ILE MD 2.522 . 3.311 3.227 3.062 3.283 . 0 0 "[ . 1]" 1 985 2 56 ILE MD 2 56 ILE QG 1.961 . 2.442 1.871 1.861 1.877 . 0 0 "[ . 1]" 1 986 2 56 ILE MD 2 56 ILE MG 2.800 . 5.000 3.207 3.176 3.224 . 0 0 "[ . 1]" 1 987 2 60 ILE MD 2 60 ILE MG 2.800 . 5.000 3.178 3.156 3.189 . 0 0 "[ . 1]" 1 988 2 62 LYS HA 2 62 LYS QD 2.188 . 2.786 2.524 1.641 2.925 0.139 2 0 "[ . 1]" 1 989 2 62 LYS QD 2 62 LYS HE2 1.618 . 1.945 2.108 2.090 2.115 0.170 10 0 "[ . 1]" 1 990 2 62 LYS QE 2 62 LYS HG2 1.677 . 2.029 2.330 2.061 2.802 0.773 6 3 "[ *+ -1]" 1 991 2 62 LYS QB 2 62 LYS HE2 2.081 . 2.622 2.517 2.032 2.904 0.282 9 0 "[ . 1]" 1 992 2 5 VAL QG 2 63 LEU HA 2.474 . 3.239 3.281 2.825 3.502 0.263 9 0 "[ . 1]" 1 993 2 2 MET QG 2 63 LEU MD2 2.287 . 2.941 1.860 1.496 2.524 0.137 9 0 "[ . 1]" 1 994 2 67 PRO HA 2 67 PRO QG 2.110 . 2.666 2.864 2.821 2.886 0.220 3 0 "[ . 1]" 1 995 2 67 PRO QB 2 67 PRO QD 2.253 . 2.888 2.981 2.976 2.991 0.103 7 0 "[ . 1]" 1 996 2 68 ALA HA 2 68 ALA MB 1.632 . 1.965 2.115 2.101 2.120 0.155 5 0 "[ . 1]" 1 997 1 2 ALA MB 1 6 GLU H 3.300 . 5.000 4.696 4.485 5.047 0.047 3 0 "[ . 1]" 1 998 1 3 SER HA 1 4 VAL MG2 3.094 . 4.291 4.032 3.909 4.133 . 0 0 "[ . 1]" 1 999 1 4 VAL MG1 2 13 LEU QB 2.109 . 2.665 2.642 2.470 2.781 0.116 1 0 "[ . 1]" 1 1000 1 6 GLU HA 1 10 ILE MD 3.176 . 4.437 2.884 2.725 3.062 . 0 0 "[ . 1]" 1 1001 1 7 LEU HA 1 10 ILE QG 2.856 . 3.876 2.502 2.443 2.578 . 0 0 "[ . 1]" 1 1002 1 7 LEU H 1 7 LEU QD 2.386 . 3.098 3.209 3.118 3.247 0.149 9 0 "[ . 1]" 1 1003 1 9 CYS HA 1 39 VAL QG 2.215 . 2.828 2.634 2.511 2.766 . 0 0 "[ . 1]" 1 1004 1 10 ILE HB 1 10 ILE QG 2.423 . 3.157 2.350 2.345 2.357 . 0 0 "[ . 1]" 1 1005 1 10 ILE H 1 10 ILE MD 3.300 . 5.000 3.605 3.579 3.625 . 0 0 "[ . 1]" 1 1006 1 10 ILE MD 2 60 ILE HA 3.300 . 5.000 3.913 3.793 4.027 . 0 0 "[ . 1]" 1 1007 1 10 ILE MD 1 11 TYR H 3.300 . 5.000 4.292 4.232 4.356 . 0 0 "[ . 1]" 1 1008 1 7 LEU H 1 10 ILE MD 2.841 . 3.850 3.725 3.636 3.810 . 0 0 "[ . 1]" 1 1009 1 9 CYS H 1 10 ILE MD 3.300 . 5.000 4.277 4.193 4.353 . 0 0 "[ . 1]" 1 1010 1 10 ILE H 1 10 ILE MG 3.300 . 5.000 3.738 3.730 3.743 . 0 0 "[ . 1]" 1 1011 1 9 CYS H 1 10 ILE MG 2.804 . 3.787 3.793 3.701 3.880 0.093 4 0 "[ . 1]" 1 1012 1 11 TYR QB 2 10 LEU QD 2.886 . 3.839 1.572 1.414 2.040 0.431 7 0 "[ . 1]" 1 1013 1 13 ALA MB 1 14 LEU HA 2.735 . 3.670 3.082 2.991 3.144 . 0 0 "[ . 1]" 1 1014 1 11 TYR QB 1 14 LEU MD2 2.697 . 3.606 2.878 2.771 2.996 . 0 0 "[ . 1]" 1 1015 1 14 LEU QD 1 17 HIS HD2 2.862 . 3.886 2.443 2.275 2.862 . 0 0 "[ . 1]" 1 1016 1 14 LEU QD 1 56 ILE QG 2.125 . 2.690 1.662 1.634 1.691 . 0 0 "[ . 1]" 1 1017 1 15 ILE HA 2 6 ALA MB 2.849 . 3.756 3.180 3.017 3.321 . 0 0 "[ . 1]" 1 1018 1 15 ILE MD 2 7 SER H 2.752 . 3.699 2.900 2.737 3.212 . 0 0 "[ . 1]" 1 1019 1 15 ILE MD 2 4 TYR HA 3.300 . 5.000 4.714 4.572 4.841 . 0 0 "[ . 1]" 1 1020 1 15 ILE H 1 15 ILE MD 2.329 . 3.007 2.267 2.183 2.315 . 0 0 "[ . 1]" 1 1021 1 15 ILE MG 1 16 LEU H 3.300 . 5.000 4.103 4.063 4.157 . 0 0 "[ . 1]" 1 1022 1 14 LEU H 1 15 ILE MG 3.300 . 5.500 5.715 5.678 5.748 0.248 6 0 "[ . 1]" 1 1023 1 15 ILE MG 2 4 TYR HA 2.701 . 3.613 3.679 3.635 3.703 0.090 8 0 "[ . 1]" 1 1024 1 15 ILE MG 2 28 LEU HA 3.300 . 5.000 3.179 2.990 3.419 . 0 0 "[ . 1]" 1 1025 1 15 ILE H 1 15 ILE MG 3.300 . 5.000 3.379 3.310 3.435 . 0 0 "[ . 1]" 1 1026 1 16 LEU QD 1 21 VAL H 2.520 . 3.314 3.454 3.426 3.478 0.164 7 0 "[ . 1]" 1 1027 1 16 LEU MD2 1 24 THR H 2.612 . 3.465 2.672 2.414 2.856 . 0 0 "[ . 1]" 1 1028 1 16 LEU QD 1 27 LYS QE 2.758 . 3.709 3.489 3.257 3.714 0.005 6 0 "[ . 1]" 1 1029 1 16 LEU QD 1 16 LEU HG 2.198 . 2.802 1.894 1.893 1.897 . 0 0 "[ . 1]" 1 1030 1 17 HIS QB 1 17 HIS HD2 3.133 . 4.221 2.589 2.563 2.604 . 0 0 "[ . 1]" 1 1031 1 17 HIS HB2 1 51 LEU QD 2.716 . 3.638 3.466 3.069 3.764 0.126 6 0 "[ . 1]" 1 1032 1 18 ASP HB3 1 19 ASP QB 2.762 . 3.716 3.709 3.586 3.775 0.059 1 0 "[ . 1]" 1 1033 1 19 ASP H 1 20 GLU QG 3.021 . 4.162 4.231 4.192 4.299 0.137 7 0 "[ . 1]" 1 1034 1 19 ASP H 1 21 VAL MG1 2.501 . 3.283 3.417 3.363 3.463 0.180 7 0 "[ . 1]" 1 1035 1 22 THR MG 1 23 VAL H 2.800 . 5.000 3.602 3.443 3.686 . 0 0 "[ . 1]" 1 1036 1 23 VAL HA 1 27 LYS QB 2.782 . 3.749 3.241 3.143 3.430 . 0 0 "[ . 1]" 1 1037 1 23 VAL MG1 1 51 LEU H 2.589 . 3.427 3.519 3.447 3.566 0.139 2 0 "[ . 1]" 1 1038 1 25 GLU QB 1 28 ILE H 5.000 . 5.500 5.122 4.917 5.320 . 0 0 "[ . 1]" 1 1039 1 25 GLU QG 1 26 ASP HA 3.094 . 4.291 3.937 3.520 4.326 0.035 4 0 "[ . 1]" 1 1040 1 25 GLU QG 1 29 ASN HD22 2.971 . 4.074 3.918 2.391 4.955 0.881 1 3 "[+ .*- 1]" 1 1041 1 25 GLU H 1 25 GLU QG 2.929 . 4.001 3.107 1.799 3.963 0.058 2 0 "[ . 1]" 1 1042 1 25 GLU QG 1 26 ASP H 2.881 . 3.919 3.120 1.815 3.994 0.075 1 0 "[ . 1]" 1 1043 1 26 ASP HA 1 29 ASN QD 3.041 . 3.545 2.958 2.127 3.561 0.016 6 0 "[ . 1]" 1 1044 1 26 ASP QB 1 27 LYS H 3.300 . 3.611 3.094 2.696 3.628 0.017 2 0 "[ . 1]" 1 1045 1 27 LYS H 1 27 LYS QB 2.780 . 3.746 2.122 2.042 2.437 . 0 0 "[ . 1]" 1 1046 1 16 LEU QD 1 27 LYS HB2 5.000 . 5.500 2.317 2.057 2.464 . 0 0 "[ . 1]" 1 1047 1 27 LYS H 1 27 LYS QG 2.813 . 3.802 3.787 2.362 3.998 0.196 1 0 "[ . 1]" 1 1048 1 28 ILE HA 1 31 LEU QD 3.300 . 3.600 2.139 1.947 2.444 . 0 0 "[ . 1]" 1 1049 1 29 ASN HA 1 32 ILE MG 5.000 . 5.500 3.387 3.157 3.625 . 0 0 "[ . 1]" 1 1050 1 29 ASN QB 1 29 ASN HD22 2.700 . 3.611 2.793 2.662 3.005 . 0 0 "[ . 1]" 1 1051 1 12 SER H 1 31 LEU MD2 5.000 . 5.500 3.577 3.469 3.703 . 0 0 "[ . 1]" 1 1052 1 31 LEU QD 1 32 ILE H 5.000 . 5.500 3.658 3.581 3.721 . 0 0 "[ . 1]" 1 1053 1 28 ILE HA 1 31 LEU QD 5.000 . 5.500 2.121 1.940 2.402 . 0 0 "[ . 1]" 1 1054 1 9 CYS H 1 32 ILE QG 5.000 . 5.500 5.023 4.657 5.199 . 0 0 "[ . 1]" 1 1055 1 9 CYS H 1 32 ILE MD 5.000 . 5.500 5.201 4.717 5.295 . 0 0 "[ . 1]" 1 1056 1 32 ILE H 1 32 ILE MD 5.000 . 5.500 3.510 3.448 3.573 . 0 0 "[ . 1]" 1 1057 1 32 ILE MD 1 33 LYS H 5.000 . 5.500 4.511 4.424 4.563 . 0 0 "[ . 1]" 1 1058 1 31 LEU H 1 32 ILE MD 5.000 . 5.500 5.183 5.058 5.322 . 0 0 "[ . 1]" 1 1059 1 34 ALA MB 2 27 ILE H 3.300 . 5.000 3.956 3.747 4.255 . 0 0 "[ . 1]" 1 1060 1 34 ALA MB 2 27 ILE QG 2.500 . 2.800 2.586 2.335 2.775 . 0 0 "[ . 1]" 1 1061 1 35 ALA HA 2 10 LEU HB2 5.000 . 5.500 2.899 2.676 3.020 . 0 0 "[ . 1]" 1 1062 1 35 ALA HA 1 37 VAL MG1 5.000 . 5.500 4.249 4.161 4.502 . 0 0 "[ . 1]" 1 1063 1 34 ALA MB 1 35 ALA HA 5.000 . 5.500 3.868 3.808 3.924 . 0 0 "[ . 1]" 1 1064 1 35 ALA MB 2 11 ALA H 5.000 . 5.500 3.552 3.327 3.702 . 0 0 "[ . 1]" 1 1065 1 37 VAL HA 1 38 ASN QB 2.810 . 3.697 3.835 3.809 3.848 0.151 10 0 "[ . 1]" 1 1066 1 36 GLY QA 1 37 VAL HB 3.300 . 5.000 4.512 4.436 4.559 . 0 0 "[ . 1]" 1 1067 1 4 VAL HB 1 37 VAL MG2 2.158 . 2.740 2.849 2.832 2.882 0.142 5 0 "[ . 1]" 1 1068 1 37 VAL MG2 1 38 ASN HB2 3.300 . 5.000 3.979 3.936 4.007 . 0 0 "[ . 1]" 1 1069 1 39 VAL MG1 1 40 GLU QG 2.855 . 3.874 4.078 3.918 4.157 0.283 7 0 "[ . 1]" 1 1070 1 39 VAL MG2 1 41 PRO HA 5.000 . 5.500 5.370 5.241 5.513 0.013 6 0 "[ . 1]" 1 1071 1 43 TRP QB 1 44 PRO HD3 2.915 . 3.977 1.882 1.836 1.949 0.017 8 0 "[ . 1]" 1 1072 1 25 GLU HA 1 44 PRO HA 2.894 . 3.941 3.542 3.360 3.639 . 0 0 "[ . 1]" 1 1073 1 46 LEU QB 1 49 LYS HE2 2.914 . 3.976 4.090 4.044 4.148 0.172 6 0 "[ . 1]" 1 1074 1 47 PHE HB3 1 51 LEU QD 2.612 . 3.465 2.208 2.010 2.388 . 0 0 "[ . 1]" 1 1075 1 43 TRP HE3 1 47 PHE HB2 3.300 . 5.000 3.793 3.769 3.833 . 0 0 "[ . 1]" 1 1076 1 46 LEU MD1 1 49 LYS QB 2.543 . 3.351 2.598 2.467 2.720 . 0 0 "[ . 1]" 1 1077 1 49 LYS H 1 49 LYS QD 3.300 . 5.000 4.209 4.087 4.354 . 0 0 "[ . 1]" 1 1078 1 46 LEU QB 1 50 ALA MB 5.000 . 5.500 3.289 3.206 3.467 . 0 0 "[ . 1]" 1 1079 1 47 PHE QD 1 51 LEU HB2 3.164 . 4.337 4.672 4.519 4.864 0.527 8 2 "[- . + 1]" 1 1080 1 13 ALA MB 1 51 LEU QD 2.195 . 2.797 1.771 1.615 2.255 . 0 0 "[ . 1]" 1 1081 1 53 ASN QB 1 53 ASN HD21 2.811 . 3.799 2.161 2.117 2.201 . 0 0 "[ . 1]" 1 1082 1 54 VAL QG 1 55 ASN H 2.441 . 3.186 2.571 2.446 2.871 . 0 0 "[ . 1]" 1 1083 1 54 VAL MG2 1 55 ASN HA 2.643 . 3.516 3.334 3.224 3.402 . 0 0 "[ . 1]" 1 1084 1 10 ILE HA 1 56 ILE MD 3.300 . 5.500 3.197 2.909 3.562 . 0 0 "[ . 1]" 1 1085 1 57 GLY QA 1 58 SER H 2.697 . 3.606 2.878 2.855 2.892 . 0 0 "[ . 1]" 1 1086 1 56 ILE MG 1 57 GLY QA 2.576 . 3.405 2.547 2.401 2.647 . 0 0 "[ . 1]" 1 1087 1 55 ASN HB2 1 58 SER HB2 2.927 . 3.998 4.128 3.664 4.470 0.472 6 0 "[ . 1]" 1 1088 1 55 ASN H 1 58 SER QB 2.960 . 4.055 2.470 1.974 2.992 . 0 0 "[ . 1]" 1 1089 1 58 SER QB 1 59 LEU HG 2.861 . 3.884 4.003 3.961 4.032 0.148 7 0 "[ . 1]" 1 1090 1 47 PHE QE 1 59 LEU QD 2.926 . 3.979 1.783 1.701 1.949 0.155 10 0 "[ . 1]" 1 1091 1 60 ILE HG12 1 60 ILE MG 2.171 . 2.760 2.221 2.209 2.238 . 0 0 "[ . 1]" 1 1092 1 61 CYS QB 1 62 ASN HD21 3.300 . 5.000 4.565 3.779 5.143 0.143 5 0 "[ . 1]" 1 1093 1 60 ILE H 1 61 CYS QB 2.994 . 4.114 4.230 4.207 4.253 0.139 7 0 "[ . 1]" 1 1094 1 61 CYS QB 1 65 ALA MB 2.906 . 3.962 3.335 2.762 3.934 . 0 0 "[ . 1]" 1 1095 1 61 CYS QB 1 62 ASN HA 2.872 . 3.903 4.041 3.990 4.135 0.232 2 0 "[ . 1]" 1 1096 1 61 CYS QB 1 62 ASN H 2.914 . 3.975 3.146 2.283 3.574 . 0 0 "[ . 1]" 1 1097 1 43 TRP HZ2 1 62 ASN QB 2.580 . 3.412 3.517 3.467 3.558 0.146 1 0 "[ . 1]" 1 1098 1 11 TYR QE 2 6 ALA HA 3.338 . 4.731 4.244 4.112 4.380 . 0 0 "[ . 1]" 1 1099 1 43 TRP HE3 1 47 PHE QD 3.300 . 4.636 1.967 1.926 2.014 0.038 6 0 "[ . 1]" 1 1100 1 47 PHE QD 1 51 LEU QD 3.238 . 4.549 1.704 1.374 1.931 0.553 4 1 "[ +. 1]" 1 1101 1 43 TRP HZ2 1 47 PHE QE 3.376 . 4.801 4.983 4.943 5.037 0.236 2 0 "[ . 1]" 1 1102 1 47 PHE QE 1 51 LEU QD 3.269 . 4.605 1.772 1.695 1.931 0.238 10 0 "[ . 1]" 1 1103 1 42 PHE QD 1 46 LEU HB3 3.418 . 4.879 3.070 2.874 3.189 . 0 0 "[ . 1]" 1 1104 1 7 LEU QB 1 11 TYR HD2 3.320 . 4.698 4.215 4.147 4.339 . 0 0 "[ . 1]" 1 1105 2 2 MET ME 2 3 ARG H 2.651 . 3.529 3.272 2.907 3.430 . 0 0 "[ . 1]" 1 1106 2 3 ARG H 2 5 VAL MG1 3.300 . 5.000 3.429 2.284 3.708 . 0 0 "[ . 1]" 1 1107 2 6 ALA MB 2 8 TYR H 3.300 . 5.000 4.381 4.304 4.483 . 0 0 "[ . 1]" 1 1108 2 6 ALA MB 2 63 LEU MD2 1.865 . 2.300 2.023 1.937 2.067 . 0 0 "[ . 1]" 1 1109 2 8 TYR HA 2 11 ALA H 2.892 . 3.937 3.427 3.368 3.520 . 0 0 "[ . 1]" 1 1110 2 9 LEU HA 2 12 ALA H 2.926 . 3.996 3.371 3.316 3.415 . 0 0 "[ . 1]" 1 1111 2 6 ALA MB 2 9 LEU MD2 2.525 . 3.322 3.091 3.006 3.196 . 0 0 "[ . 1]" 1 1112 2 9 LEU QD 2 56 ILE H 3.300 . 5.000 4.400 4.344 4.458 . 0 0 "[ . 1]" 1 1113 2 10 LEU HA 2 11 ALA H 2.668 . 3.558 3.088 3.035 3.126 . 0 0 "[ . 1]" 1 1114 2 7 SER HA 2 10 LEU QB 2.682 . 3.581 2.572 2.460 2.762 . 0 0 "[ . 1]" 1 1115 2 10 LEU H 2 10 LEU QB 2.849 . 3.864 2.079 2.020 2.108 . 0 0 "[ . 1]" 1 1116 2 10 LEU QB 2 11 ALA H 2.878 . 3.913 2.339 2.142 2.603 . 0 0 "[ . 1]" 1 1117 2 10 LEU H 2 10 LEU QD 2.568 . 3.392 3.324 3.284 3.439 0.047 4 0 "[ . 1]" 1 1118 2 10 LEU QD 2 11 ALA H 3.300 . 5.000 3.969 3.851 4.025 . 0 0 "[ . 1]" 1 1119 2 11 ALA MB 2 24 ILE H 3.300 . 5.000 4.721 4.569 4.874 . 0 0 "[ . 1]" 1 1120 2 11 ALA MB 2 16 ASN H 2.730 . 3.661 3.828 3.660 3.933 0.272 8 0 "[ . 1]" 1 1121 2 11 ALA MB 2 16 ASN HD21 2.527 . 3.325 3.038 2.758 3.501 0.176 1 0 "[ . 1]" 1 1122 2 11 ALA MB 2 20 SER H 2.933 . 4.008 4.134 4.108 4.168 0.160 5 0 "[ . 1]" 1 1123 2 12 ALA MB 2 52 ILE HB 2.818 2.025 3.611 2.767 2.623 3.134 . 0 0 "[ . 1]" 1 1124 2 13 LEU QB 2 13 LEU HG 2.377 . 3.083 2.337 2.315 2.367 . 0 0 "[ . 1]" 1 1125 1 7 LEU HB3 2 13 LEU QD 2.236 . 2.861 1.745 1.638 1.822 0.086 1 0 "[ . 1]" 1 1126 1 37 VAL QG 2 13 LEU MD2 1.925 . 2.388 2.265 2.208 2.308 . 0 0 "[ . 1]" 1 1127 1 8 ALA H 2 13 LEU QD 2.775 . 3.738 2.524 2.464 2.553 . 0 0 "[ . 1]" 1 1128 1 7 LEU HG 2 13 LEU QD 2.500 . 3.161 3.271 3.225 3.304 0.143 1 0 "[ . 1]" 1 1129 2 16 ASN QB 2 16 ASN HD21 2.813 . 3.672 2.145 2.087 2.187 . 0 0 "[ . 1]" 1 1130 2 16 ASN QB 2 18 SER H 3.300 . 5.000 3.462 2.546 3.739 . 0 0 "[ . 1]" 1 1131 2 16 ASN QB 2 19 PRO HA 2.867 . 3.894 3.325 2.720 3.560 . 0 0 "[ . 1]" 1 1132 2 19 PRO QB 2 24 ILE MD 3.300 . 5.000 2.638 2.503 2.739 . 0 0 "[ . 1]" 1 1133 2 8 TYR HD2 2 19 PRO QB 2.696 . 3.605 2.859 2.760 2.978 . 0 0 "[ . 1]" 1 1134 2 19 PRO QB 2 23 ASP HB2 2.783 . 3.751 3.159 2.702 4.245 0.494 4 0 "[ . 1]" 1 1135 2 8 TYR HA 2 19 PRO QD 3.300 . 5.000 4.156 4.002 4.275 . 0 0 "[ . 1]" 1 1136 2 20 SER QB 2 22 LYS HD2 2.903 . 3.956 4.187 3.531 4.473 0.517 1 2 "[+ - 1]" 1 1137 2 19 PRO QB 2 20 SER HB2 2.617 . 3.473 3.525 3.463 3.582 0.109 9 0 "[ . 1]" 1 1138 2 21 ALA MB 2 23 ASP H 3.300 . 5.000 3.951 3.882 4.044 . 0 0 "[ . 1]" 1 1139 2 21 ALA MB 2 41 ASN QB 2.426 . 3.162 2.001 1.807 2.200 . 0 0 "[ . 1]" 1 1140 2 21 ALA MB 2 41 ASN H 2.443 . 3.189 2.976 2.775 3.198 0.009 3 0 "[ . 1]" 1 1141 2 22 LYS HA 2 23 ASP H 2.696 . 3.604 3.315 3.276 3.377 . 0 0 "[ . 1]" 1 1142 2 24 ILE MD 2 25 LYS H 3.300 . 5.000 4.486 4.426 4.517 . 0 0 "[ . 1]" 1 1143 2 20 SER H 2 24 ILE MD 3.300 . 5.000 4.199 3.716 4.379 . 0 0 "[ . 1]" 1 1144 2 11 ALA H 2 24 ILE MG 3.300 . 5.000 4.690 4.599 4.808 . 0 0 "[ . 1]" 1 1145 2 24 ILE MG 2 28 LEU QB 3.300 . 5.000 3.664 3.438 3.869 . 0 0 "[ . 1]" 1 1146 2 24 ILE MG 2 40 LEU HA 3.300 . 5.000 3.760 3.554 3.960 . 0 0 "[ . 1]" 1 1147 2 24 ILE MG 2 27 ILE H 3.300 . 5.000 4.686 4.545 4.839 . 0 0 "[ . 1]" 1 1148 2 25 LYS HA 2 25 LYS QE 2.971 . 4.075 3.691 3.235 3.907 . 0 0 "[ . 1]" 1 1149 1 31 LEU HA 2 27 ILE HA 3.300 . 5.000 3.529 3.464 3.604 . 0 0 "[ . 1]" 1 1150 1 15 ILE MG 2 27 ILE HB 3.300 . 5.000 4.209 3.939 4.346 . 0 0 "[ . 1]" 1 1151 1 34 ALA MB 2 27 ILE MD 3.000 . 3.300 2.912 2.623 3.253 . 0 0 "[ . 1]" 1 1152 2 11 ALA H 2 27 ILE MD 3.300 . 5.000 3.911 3.310 4.283 . 0 0 "[ . 1]" 1 1153 2 11 ALA H 2 27 ILE MG 3.300 . 5.000 4.541 4.342 4.837 . 0 0 "[ . 1]" 1 1154 2 27 ILE H 2 27 ILE MG 3.300 . 5.000 3.665 3.643 3.687 . 0 0 "[ . 1]" 1 1155 2 28 LEU MD1 2 33 ILE H 3.300 . 5.000 3.652 3.332 4.056 . 0 0 "[ . 1]" 1 1156 2 25 LYS QB 2 29 ASP QB 2.810 . 3.797 3.511 3.306 3.714 . 0 0 "[ . 1]" 1 1157 1 31 LEU MD1 2 30 SER HA 5.000 . 5.500 4.176 4.121 4.225 . 0 0 "[ . 1]" 1 1158 1 31 LEU HG 2 31 VAL QG 3.300 . 5.000 3.561 3.472 3.644 . 0 0 "[ . 1]" 1 1159 1 16 LEU HA 2 31 VAL MG2 3.300 . 5.000 2.504 2.332 2.681 . 0 0 "[ . 1]" 1 1160 1 30 ALA HA 2 31 VAL QG 3.300 . 5.000 3.251 3.142 3.354 . 0 0 "[ . 1]" 1 1161 1 30 ALA MB 2 31 VAL MG1 3.300 . 5.000 2.060 1.908 2.229 . 0 0 "[ . 1]" 1 1162 2 31 VAL MG2 2 33 ILE H 3.300 . 5.000 2.626 2.152 2.925 . 0 0 "[ . 1]" 1 1163 1 27 LYS HA 2 31 VAL MG1 3.300 . 5.000 2.556 2.167 2.736 . 0 0 "[ . 1]" 1 1164 2 33 ILE HA 2 34 GLU QB 3.300 . 5.000 4.406 4.331 4.466 . 0 0 "[ . 1]" 1 1165 2 33 ILE MD 2 34 GLU H 3.300 . 5.000 4.795 4.586 5.026 0.026 9 0 "[ . 1]" 1 1166 1 20 GLU H 2 33 ILE MD 3.300 . 5.000 4.155 3.810 4.407 . 0 0 "[ . 1]" 1 1167 2 33 ILE H 2 33 ILE MD 3.300 . 5.000 3.922 3.247 4.139 . 0 0 "[ . 1]" 1 1168 2 31 VAL H 2 33 ILE MD 3.300 . 5.000 4.940 4.490 5.069 0.069 7 0 "[ . 1]" 1 1169 2 35 ALA MB 2 36 ASP QB 3.300 . 5.000 4.503 4.396 4.609 . 0 0 "[ . 1]" 1 1170 2 28 LEU QB 2 35 ALA MB 3.300 . 5.000 3.476 3.281 3.639 . 0 0 "[ . 1]" 1 1171 2 35 ALA MB 2 36 ASP H 2.269 . 2.912 2.850 2.686 2.905 . 0 0 "[ . 1]" 1 1172 2 34 GLU HA 2 35 ALA MB 3.300 . 5.000 3.760 3.622 3.855 . 0 0 "[ . 1]" 1 1173 2 38 ASP QB 2 39 ARG HG2 2.716 . 3.283 3.308 3.079 3.397 0.114 5 0 "[ . 1]" 1 1174 2 39 ARG H 2 39 ARG QB 2.601 . 3.447 2.526 2.453 2.639 . 0 0 "[ . 1]" 1 1175 2 36 ASP H 2 39 ARG HD2 3.300 . 5.000 4.758 4.683 4.831 . 0 0 "[ . 1]" 1 1176 2 38 ASP QB 2 39 ARG HD3 3.300 . 5.000 4.343 4.095 4.663 . 0 0 "[ . 1]" 1 1177 2 4 TYR HD2 2 39 ARG QG 3.300 . 5.000 5.108 5.056 5.149 0.149 3 0 "[ . 1]" 1 1178 2 36 ASP H 2 39 ARG QG 2.367 . 3.067 3.173 3.084 3.272 0.205 10 0 "[ . 1]" 1 1179 2 40 LEU MD1 2 41 ASN HA 2.786 . 3.756 3.233 3.140 3.379 . 0 0 "[ . 1]" 1 1180 2 39 ARG H 2 40 LEU MD1 2.434 . 3.175 3.297 3.258 3.331 0.156 8 0 "[ . 1]" 1 1181 2 40 LEU MD1 2 42 LYS H 3.300 . 5.000 3.923 3.852 4.038 . 0 0 "[ . 1]" 1 1182 2 40 LEU QB 2 40 LEU HG 2.541 . 3.348 2.382 2.369 2.393 . 0 0 "[ . 1]" 1 1183 2 41 ASN QB 2 41 ASN HD21 2.600 . 3.445 2.135 2.118 2.146 . 0 0 "[ . 1]" 1 1184 2 42 LYS HA 2 43 VAL H 2.499 . 3.280 3.018 2.830 3.178 . 0 0 "[ . 1]" 1 1185 2 24 ILE HG12 2 43 VAL QG 3.300 . 5.000 4.588 4.405 4.747 . 0 0 "[ . 1]" 1 1186 2 43 VAL MG2 2 47 LEU HG 2.800 . 5.000 2.369 2.013 2.965 . 0 0 "[ . 1]" 1 1187 2 43 VAL QG 2 44 ILE H 2.314 . 2.984 2.047 1.892 2.176 . 0 0 "[ . 1]" 1 1188 2 8 TYR QD 2 43 VAL MG2 2.542 . 3.350 3.399 3.336 3.496 0.146 3 0 "[ . 1]" 1 1189 2 5 VAL HA 2 43 VAL MG2 2.194 . 2.796 2.565 2.317 2.850 0.054 6 0 "[ . 1]" 1 1190 2 43 VAL HA 2 47 LEU QD 2.636 . 3.504 3.397 3.166 3.571 0.067 7 0 "[ . 1]" 1 1191 2 8 TYR QB 2 47 LEU QD 3.004 . 4.132 2.523 1.861 3.208 0.015 7 0 "[ . 1]" 1 1192 2 47 LEU QD 2 50 LYS HE2 2.593 . 3.434 3.658 3.077 4.125 0.691 8 3 "[ - *+ 1]" 1 1193 2 5 VAL QG 2 47 LEU MD2 2.137 . 2.708 2.133 1.582 2.453 . 0 0 "[ . 1]" 1 1194 2 47 LEU QB 2 47 LEU HG 2.235 . 2.859 2.184 2.115 2.259 . 0 0 "[ . 1]" 1 1195 2 48 ASN QB 2 49 GLY H 2.898 . 3.821 3.819 3.742 3.896 0.075 9 0 "[ . 1]" 1 1196 2 50 LYS HA 2 50 LYS QE 2.888 . 3.931 3.461 3.037 3.699 . 0 0 "[ . 1]" 1 1197 2 50 LYS QB 2 50 LYS QE 2.793 . 3.768 1.939 1.886 1.996 . 0 0 "[ . 1]" 1 1198 2 50 LYS H 2 52 ILE MD 2.980 2.148 3.812 3.770 3.694 3.816 0.004 7 0 "[ . 1]" 1 1199 2 51 ASN HA 2 52 ILE MD 2.570 . 3.395 3.252 3.184 3.306 . 0 0 "[ . 1]" 1 1200 2 52 ILE MG 2 54 ASP H 3.300 . 5.000 4.012 3.950 4.129 . 0 0 "[ . 1]" 1 1201 1 4 VAL MG2 2 53 GLU QB 2.706 . 3.621 3.281 3.074 3.487 . 0 0 "[ . 1]" 1 1202 2 8 TYR HE1 2 55 VAL MG2 3.300 . 5.000 5.201 5.179 5.231 0.231 7 0 "[ . 1]" 1 1203 2 55 VAL QG 2 56 ILE H 2.426 . 2.994 3.104 3.057 3.129 0.135 2 0 "[ . 1]" 1 1204 2 52 ILE HG13 2 55 VAL MG2 2.800 . 5.000 3.949 3.810 4.216 . 0 0 "[ . 1]" 1 1205 2 9 LEU MD1 2 55 VAL QG 3.300 . 5.000 2.887 2.826 2.979 . 0 0 "[ . 1]" 1 1206 2 51 ASN H 2 55 VAL MG2 3.300 . 5.000 2.784 2.605 3.018 . 0 0 "[ . 1]" 1 1207 2 56 ILE H 2 56 ILE MD 2.284 . 2.936 1.906 1.636 2.006 . 0 0 "[ . 1]" 1 1208 2 56 ILE H 2 56 ILE MG 3.300 . 5.000 3.869 3.787 3.888 . 0 0 "[ . 1]" 1 1209 2 56 ILE MG 2 58 GLN H 2.800 . 5.000 4.047 3.685 4.346 . 0 0 "[ . 1]" 1 1210 1 1 MET ME 2 57 ALA MB 3.300 . 5.000 2.606 1.773 2.967 . 0 0 "[ . 1]" 1 1211 2 54 ASP QB 2 57 ALA MB 2.638 . 3.508 3.702 3.599 3.850 0.342 1 0 "[ . 1]" 1 1212 2 58 GLN QE 2 58 GLN HG3 2.582 . 3.407 2.929 2.707 3.114 . 0 0 "[ . 1]" 1 1213 2 60 ILE H 2 60 ILE MD 2.319 . 2.991 1.957 1.893 1.998 . 0 0 "[ . 1]" 1 1214 1 61 CYS H 2 60 ILE MD 2.533 . 3.335 2.752 2.363 3.276 . 0 0 "[ . 1]" 1 1215 2 60 ILE H 2 60 ILE MG 3.300 . 4.000 3.694 3.661 3.720 . 0 0 "[ . 1]" 1 1216 1 61 CYS H 2 60 ILE MG 3.300 . 5.500 4.735 4.591 4.955 . 0 0 "[ . 1]" 1 1217 1 14 LEU HA 2 63 LEU MD1 2.287 . 2.941 2.768 2.631 2.961 0.020 9 0 "[ . 1]" 1 1218 2 64 ALA H 2 64 ALA MB 2.300 . 2.600 2.665 2.217 2.766 0.166 2 0 "[ . 1]" 1 1219 2 62 LYS QG 2 66 VAL QG 1.913 . 2.370 2.075 1.770 2.409 0.039 9 0 "[ . 1]" 1 1220 1 1 MET ME 2 57 ALA HA 3.300 . 5.000 4.883 4.116 5.141 0.141 6 0 "[ . 1]" 1 1221 1 1 MET ME 2 53 GLU HA 3.300 . 5.000 4.527 3.985 5.079 0.079 3 0 "[ . 1]" 1 1222 1 1 MET QG 2 54 ASP HB2 3.300 . 5.000 4.871 4.276 5.670 0.670 6 1 "[ .+ 1]" 1 1223 1 1 MET QG 2 53 GLU HB3 3.300 . 5.000 3.094 2.186 3.883 . 0 0 "[ . 1]" 1 1224 1 2 ALA MB 2 53 GLU QG 5.000 2.500 5.500 4.914 3.737 5.326 . 0 0 "[ . 1]" 1 1225 1 2 ALA MB 2 53 GLU HA 5.000 2.500 5.500 5.223 4.155 5.479 . 0 0 "[ . 1]" 1 1226 1 4 VAL QG 2 13 LEU QD 1.867 . 2.303 1.988 1.885 2.089 . 0 0 "[ . 1]" 1 1227 1 4 VAL QG 2 13 LEU HG 2.146 . 2.722 1.519 1.339 1.638 0.366 2 0 "[ . 1]" 1 1228 1 4 VAL QG 2 13 LEU HA 2.457 . 3.211 2.933 2.753 3.119 . 0 0 "[ . 1]" 1 1229 1 7 LEU MD2 2 53 GLU HA 2.999 . 3.575 1.931 1.837 2.111 0.038 2 0 "[ . 1]" 1 1230 1 7 LEU MD1 2 57 ALA HA 2.738 . 3.675 3.024 2.886 3.195 . 0 0 "[ . 1]" 1 1231 1 7 LEU MD1 2 56 ILE MG 2.347 . 3.036 2.003 1.862 2.109 . 0 0 "[ . 1]" 1 1232 1 8 ALA MB 2 13 LEU QB 2.724 . 3.651 2.798 2.685 3.041 . 0 0 "[ . 1]" 1 1233 1 8 ALA MB 2 10 LEU QD 2.603 . 3.450 2.392 2.257 2.514 . 0 0 "[ . 1]" 1 1234 1 8 ALA MB 2 13 LEU QD 1.855 . 2.285 1.762 1.625 1.993 . 0 0 "[ . 1]" 1 1235 1 8 ALA MB 2 10 LEU HG 2.945 . 4.029 3.972 3.609 4.045 0.016 8 0 "[ . 1]" 1 1236 1 10 ILE HB 2 60 ILE QG 2.969 . 4.071 4.043 3.916 4.099 0.028 8 0 "[ . 1]" 1 1237 1 10 ILE HB 2 60 ILE MG 3.300 . 5.000 4.417 4.370 4.527 . 0 0 "[ . 1]" 1 1238 1 10 ILE MD 2 60 ILE HB 3.300 . 5.000 4.017 3.886 4.083 . 0 0 "[ . 1]" 1 1239 1 10 ILE MD 2 60 ILE MG 1.952 . 2.428 2.527 2.480 2.580 0.152 10 0 "[ . 1]" 1 1240 1 10 ILE MG 2 60 ILE HA 2.714 . 3.635 2.067 2.023 2.125 . 0 0 "[ . 1]" 1 1241 1 10 ILE MG 2 60 ILE HB 3.300 . 5.000 4.104 4.028 4.162 . 0 0 "[ . 1]" 1 1242 1 11 TYR QB 2 9 LEU HB2 3.069 . 4.246 1.592 1.418 2.168 0.474 7 0 "[ . 1]" 1 1243 1 11 TYR QB 2 10 LEU HG 3.001 . 4.127 3.919 1.866 4.172 0.045 5 0 "[ . 1]" 1 1244 1 14 LEU QD 2 60 ILE HA 2.501 . 3.283 3.365 3.311 3.435 0.152 5 0 "[ . 1]" 1 1245 1 14 LEU QD 2 63 LEU QD 2.183 . 2.779 2.042 1.860 2.157 . 0 0 "[ . 1]" 1 1246 1 15 ILE MD 2 10 LEU QD 2.118 . 2.679 1.923 1.511 2.109 0.046 4 0 "[ . 1]" 1 1247 1 15 ILE MD 2 10 LEU HG 3.300 . 5.000 4.348 3.627 4.609 . 0 0 "[ . 1]" 1 1248 1 15 ILE MD 2 27 ILE MG 3.300 . 5.000 2.294 2.094 2.524 . 0 0 "[ . 1]" 1 1249 1 15 ILE MD 2 2 MET ME 3.300 . 5.000 3.613 3.522 3.710 . 0 0 "[ . 1]" 1 1250 1 15 ILE MD 2 28 LEU QB 3.300 . 5.000 4.539 4.294 4.920 . 0 0 "[ . 1]" 1 1251 1 15 ILE MD 2 6 ALA HA 3.300 . 5.000 3.807 3.718 3.877 . 0 0 "[ . 1]" 1 1252 1 15 ILE MG 2 28 LEU QD 3.300 . 5.000 2.647 2.194 2.791 . 0 0 "[ . 1]" 1 1253 1 15 ILE MG 2 33 ILE HB 3.300 . 5.000 3.924 3.798 3.999 . 0 0 "[ . 1]" 1 1254 1 15 ILE MG 2 28 LEU QB 3.300 . 5.000 2.538 2.262 2.738 . 0 0 "[ . 1]" 1 1255 1 15 ILE MG 2 2 MET ME 2.894 . 3.941 3.921 3.740 3.982 0.041 1 0 "[ . 1]" 1 1256 1 16 LEU MD1 2 31 VAL QG 3.300 . 5.000 2.493 2.425 2.583 . 0 0 "[ . 1]" 1 1257 1 16 LEU MD1 2 31 VAL HA 3.300 . 5.000 5.129 5.095 5.173 0.173 1 0 "[ . 1]" 1 1258 1 21 VAL MG1 2 33 ILE HB 3.300 . 5.000 4.761 4.471 4.952 . 0 0 "[ . 1]" 1 1259 1 21 VAL MG1 2 33 ILE HA 3.300 . 5.000 4.250 3.838 4.557 . 0 0 "[ . 1]" 1 1260 1 21 VAL MG1 2 33 ILE MD 3.300 . 5.000 2.057 1.868 2.582 . 0 0 "[ . 1]" 1 1261 1 31 LEU QD 2 27 ILE MD 3.300 . 5.000 1.696 1.594 1.747 0.006 5 0 "[ . 1]" 1 1262 1 31 LEU MD1 2 30 SER HA 5.000 . 5.500 5.455 5.262 5.528 0.028 9 0 "[ . 1]" 1 1263 1 31 LEU MD1 2 30 SER QB 5.000 . 5.500 3.523 2.667 3.926 . 0 0 "[ . 1]" 1 1264 1 31 LEU MD1 2 27 ILE MG 2.900 . 3.200 1.796 1.670 1.984 . 0 0 "[ . 1]" 1 1265 1 31 LEU QD 2 31 VAL HA 3.300 . 5.000 4.206 4.134 4.340 . 0 0 "[ . 1]" 1 1266 1 31 LEU QD 2 31 VAL HB 3.300 . 5.000 3.528 3.383 3.602 . 0 0 "[ . 1]" 1 1267 1 31 LEU MD1 2 27 ILE HA 4.200 2.500 4.500 3.610 3.447 3.771 . 0 0 "[ . 1]" 1 1268 1 34 ALA MB 2 26 LYS QG 5.000 . 5.500 3.931 2.922 4.622 . 0 0 "[ . 1]" 1 1269 1 34 ALA MB 2 27 ILE HB 3.300 . 5.000 4.391 4.129 4.681 . 0 0 "[ . 1]" 1 1270 1 35 ALA MB 2 27 ILE MD 2.800 . 3.100 2.597 2.472 2.782 . 0 0 "[ . 1]" 1 1271 1 35 ALA MB 2 15 GLY QA 5.000 . 5.500 4.172 3.805 4.350 . 0 0 "[ . 1]" 1 1272 1 37 VAL HB 2 13 LEU QD 3.300 . 5.000 4.288 4.213 4.375 . 0 0 "[ . 1]" 1 1273 1 37 VAL MG1 2 10 LEU QD 2.347 . 3.036 2.339 1.766 2.583 . 0 0 "[ . 1]" 1 1274 1 37 VAL QG 2 10 LEU QD 1.935 . 2.381 2.064 1.711 2.179 . 0 0 "[ . 1]" 1 1275 1 37 VAL MG1 2 10 LEU HG 2.449 . 3.199 2.687 2.256 3.534 0.335 4 0 "[ . 1]" 1 1276 1 39 VAL MG2 2 10 LEU QD 2.865 . 3.891 3.783 3.712 3.843 . 0 0 "[ . 1]" 1 1277 1 59 LEU HB2 2 60 ILE MG 2.674 . 3.568 1.878 1.758 2.022 0.022 1 0 "[ . 1]" 1 1278 1 59 LEU QD 2 60 ILE QG 2.800 . 3.974 3.823 3.700 3.880 . 0 0 "[ . 1]" 1 1279 1 59 LEU QD 2 60 ILE HA 3.300 . 5.000 4.939 4.839 4.993 . 0 0 "[ . 1]" 1 1280 1 59 LEU QD 2 60 ILE MG 2.097 . 2.527 2.396 2.369 2.422 . 0 0 "[ . 1]" 1 1281 1 59 LEU QD 2 60 ILE HB 3.300 . 5.000 4.783 4.748 4.811 . 0 0 "[ . 1]" 1 1282 1 59 LEU HG 2 60 ILE MG 2.902 . 3.955 3.369 3.305 3.465 . 0 0 "[ . 1]" 1 1283 1 60 ILE HB 2 60 ILE MG 2.805 . 3.217 3.482 3.426 3.513 0.296 6 0 "[ . 1]" 1 1284 1 60 ILE MD 2 58 GLN QB 3.300 . 5.500 5.200 4.706 5.396 . 0 0 "[ . 1]" 1 1285 1 60 ILE MD 2 60 ILE HB 2.505 . 3.289 1.911 1.789 2.021 . 0 0 "[ . 1]" 1 1286 1 60 ILE MD 2 60 ILE MG 1.994 . 2.491 2.572 2.546 2.600 0.109 6 0 "[ . 1]" 1 1287 1 60 ILE MD 2 60 ILE QG 2.800 . 5.000 3.637 3.503 3.759 . 0 0 "[ . 1]" 1 1288 1 60 ILE MD 2 60 ILE HA 3.300 . 5.000 3.818 3.744 3.924 . 0 0 "[ . 1]" 1 1289 1 17 HIS HD2 2 2 MET ME 2.898 . 3.948 3.810 3.175 4.199 0.251 1 0 "[ . 1]" 1 1290 1 11 TYR QD 2 6 ALA HA 3.197 . 4.475 3.404 3.303 3.543 . 0 0 "[ . 1]" 1 1291 1 14 LEU QD 2 6 ALA HA 3.324 . 4.705 4.350 4.263 4.396 . 0 0 "[ . 1]" 1 1292 1 14 LEU HA 2 6 ALA MB 3.300 . 5.000 3.909 3.879 3.973 . 0 0 "[ . 1]" 1 1293 1 14 LEU QD 2 6 ALA MB 3.300 . 5.000 2.883 2.857 2.908 . 0 0 "[ . 1]" 1 1294 1 14 LEU QB 2 6 ALA MB 3.300 . 5.000 1.676 1.642 1.721 . 0 0 "[ . 1]" 1 1295 1 7 LEU QD 2 9 LEU MD2 3.300 . 5.000 4.051 3.977 4.135 . 0 0 "[ . 1]" 1 1296 1 14 LEU QD 2 9 LEU MD2 3.300 . 5.000 4.003 3.846 4.123 . 0 0 "[ . 1]" 1 1297 1 37 VAL MG1 2 10 LEU HA 3.142 . 4.376 3.054 2.803 3.257 . 0 0 "[ . 1]" 1 1298 1 15 ILE MD 2 10 LEU MD2 2.184 . 2.780 2.076 1.835 3.601 0.821 4 1 "[ +. 1]" 1 1299 1 31 LEU HA 2 10 LEU QD 5.000 . 5.500 3.090 2.971 3.337 . 0 0 "[ . 1]" 1 1300 1 32 ILE HG13 2 10 LEU QD 5.000 . 5.500 4.061 3.589 4.184 . 0 0 "[ . 1]" 1 1301 1 37 VAL MG1 2 11 ALA HA 3.255 . 4.579 4.172 4.133 4.251 . 0 0 "[ . 1]" 1 1302 1 35 ALA HA 2 11 ALA MB 5.000 . 5.500 3.790 3.599 4.009 . 0 0 "[ . 1]" 1 1303 1 37 VAL MG1 2 11 ALA MB 3.300 . 5.000 5.141 5.106 5.208 0.208 9 0 "[ . 1]" 1 1304 1 35 ALA MB 2 11 ALA MB 5.000 . 5.500 3.481 3.383 3.624 . 0 0 "[ . 1]" 1 1305 1 37 VAL QG 2 13 LEU HA 2.965 . 4.064 3.633 3.440 3.962 . 0 0 "[ . 1]" 1 1306 1 31 LEU HA 2 27 ILE HA 3.300 . 5.000 3.799 3.667 3.934 . 0 0 "[ . 1]" 1 1307 1 31 LEU HA 2 27 ILE MD 3.300 . 5.000 1.938 1.829 2.134 . 0 0 "[ . 1]" 1 1308 1 35 ALA MB 2 27 ILE MD 2.800 . 3.100 2.683 2.526 2.931 . 0 0 "[ . 1]" 1 1309 1 15 ILE MD 2 27 ILE MD 3.300 . 5.000 4.520 4.293 4.735 . 0 0 "[ . 1]" 1 1310 1 31 LEU HA 2 27 ILE MG 3.300 . 5.000 3.201 3.018 3.346 . 0 0 "[ . 1]" 1 1311 1 34 ALA MB 2 27 ILE MG 3.300 . 5.000 3.341 3.081 3.542 . 0 0 "[ . 1]" 1 1312 1 35 ALA MB 2 27 ILE MG 3.300 . 5.000 3.502 3.292 3.746 . 0 0 "[ . 1]" 1 1313 1 31 LEU MD1 2 28 LEU HA 4.400 2.700 4.700 3.021 2.899 3.404 . 0 0 "[ . 1]" 1 1314 1 15 ILE MG 2 28 LEU QD 3.300 . 6.000 3.254 2.967 3.582 . 0 0 "[ . 1]" 1 1315 1 30 ALA MB 2 30 SER HA 5.000 . 5.500 4.245 3.994 4.543 . 0 0 "[ . 1]" 1 1316 1 30 ALA HA 2 30 SER HA 5.000 . 5.500 5.210 4.904 5.384 . 0 0 "[ . 1]" 1 1317 1 27 LYS QD 2 31 VAL HB 3.300 . 5.000 3.093 2.648 4.731 . 0 0 "[ . 1]" 1 1318 1 16 LEU QD 2 31 VAL HB 3.300 . 5.000 2.958 2.904 3.029 . 0 0 "[ . 1]" 1 1319 1 21 VAL QG 2 31 VAL MG2 3.300 . 5.000 3.300 3.016 3.558 . 0 0 "[ . 1]" 1 1320 1 30 ALA HA 2 31 VAL QG 3.300 . 5.000 3.412 3.255 3.532 . 0 0 "[ . 1]" 1 1321 1 16 LEU QD 2 31 VAL QG 3.300 . 5.000 1.667 1.575 1.711 0.025 5 0 "[ . 1]" 1 1322 1 16 LEU HB2 2 31 VAL QG 3.300 . 5.000 3.424 3.354 3.467 . 0 0 "[ . 1]" 1 1323 1 27 LYS HA 2 31 VAL QG 3.300 . 5.000 2.551 2.164 2.729 . 0 0 "[ . 1]" 1 1324 1 19 ASP HA 2 33 ILE MD 3.300 . 5.000 4.438 4.234 5.028 0.028 9 0 "[ . 1]" 1 1325 1 15 ILE MG 2 33 ILE MD 3.600 . 3.900 2.848 2.213 3.063 . 0 0 "[ . 1]" 1 1326 1 16 LEU MD1 2 33 ILE MD 3.300 . 5.000 2.490 2.234 2.722 . 0 0 "[ . 1]" 1 1327 1 19 ASP HA 2 33 ILE MG 3.300 . 5.000 3.888 3.359 4.285 . 0 0 "[ . 1]" 1 1328 1 16 LEU QD 2 33 ILE MG 3.300 . 5.000 4.935 4.757 5.005 0.005 9 0 "[ . 1]" 1 1329 1 4 VAL MG2 2 53 GLU QB 2.920 . 3.986 3.579 3.231 3.974 . 0 0 "[ . 1]" 1 1330 1 7 LEU HG 2 53 GLU QG 3.300 . 5.000 4.775 4.621 4.897 . 0 0 "[ . 1]" 1 1331 1 4 VAL MG2 2 53 GLU QG 2.751 . 3.697 2.143 1.807 2.472 . 0 0 "[ . 1]" 1 1332 1 7 LEU MD2 2 53 GLU QG 3.101 . 4.303 2.266 1.975 2.428 . 0 0 "[ . 1]" 1 1333 1 7 LEU QB 2 53 GLU HG2 2.781 . 3.748 3.893 3.648 4.085 0.337 10 0 "[ . 1]" 1 1334 1 4 VAL HB 2 53 GLU QG 3.300 . 5.000 4.728 4.416 5.068 0.068 7 0 "[ . 1]" 1 1335 1 7 LEU QD 2 56 ILE MG 2.175 . 2.766 2.520 2.313 2.721 . 0 0 "[ . 1]" 1 1336 1 7 LEU QD 2 57 ALA MB 2.753 . 3.701 3.205 3.105 3.294 . 0 0 "[ . 1]" 1 1337 1 7 LEU QB 2 57 ALA MB 5.000 . 5.500 5.454 5.343 5.489 . 0 0 "[ . 1]" 1 1338 1 7 LEU HA 2 60 ILE MD 3.300 . 5.000 4.873 4.700 5.021 0.021 4 0 "[ . 1]" 1 1339 1 59 LEU QD 2 60 ILE MD 3.300 . 5.000 5.005 4.886 5.066 0.066 8 0 "[ . 1]" 1 1340 1 60 ILE HB 2 60 ILE MD 3.300 . 5.000 4.625 4.400 4.834 . 0 0 "[ . 1]" 1 1341 1 60 ILE HG13 2 60 ILE MD 2.182 . 2.777 2.269 2.006 2.532 . 0 0 "[ . 1]" 1 1342 1 60 ILE HG13 2 60 ILE MG 2.247 . 2.878 2.906 2.880 2.944 0.066 1 0 "[ . 1]" 1 1343 1 10 ILE MG 2 60 ILE MG 2.091 . 2.637 2.106 2.056 2.181 . 0 0 "[ . 1]" 1 1344 1 10 ILE QG 2 60 ILE MG 2.315 . 2.985 3.040 3.013 3.088 0.103 9 0 "[ . 1]" 1 1345 1 56 ILE HG12 2 63 LEU QD 2.874 . 3.906 3.714 3.473 3.870 . 0 0 "[ . 1]" 1 1346 1 11 TYR HE1 2 56 ILE MG 3.000 . 4.125 1.751 1.717 1.801 0.158 8 0 "[ . 1]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 610 _Distance_constraint_stats_list.Viol_count 955 _Distance_constraint_stats_list.Viol_total 1069.719 _Distance_constraint_stats_list.Viol_max 0.981 _Distance_constraint_stats_list.Viol_rms 0.0574 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0175 _Distance_constraint_stats_list.Viol_average_violations_only 0.1120 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ALA 0.000 0.000 . 0 "[ . 1]" 1 3 SER 4.449 0.810 5 2 "[ + -]" 1 4 VAL 3.260 0.810 5 2 "[ + -]" 1 5 SER 2.944 0.199 8 0 "[ . 1]" 1 6 GLU 1.714 0.199 8 0 "[ . 1]" 1 7 LEU 0.000 0.000 . 0 "[ . 1]" 1 8 ALA 0.000 0.000 . 0 "[ . 1]" 1 9 CYS 1.906 0.150 3 0 "[ . 1]" 1 10 ILE 2.441 0.150 3 0 "[ . 1]" 1 11 TYR 2.990 0.204 4 0 "[ . 1]" 1 12 SER 0.310 0.065 5 0 "[ . 1]" 1 13 ALA 0.000 0.000 . 0 "[ . 1]" 1 14 LEU 6.061 0.255 10 0 "[ . 1]" 1 15 ILE 2.869 0.252 7 0 "[ . 1]" 1 16 LEU 0.715 0.090 4 0 "[ . 1]" 1 17 HIS 0.410 0.090 4 0 "[ . 1]" 1 18 ASP 0.000 0.000 . 0 "[ . 1]" 1 19 ASP 0.652 0.094 3 0 "[ . 1]" 1 20 GLU 0.401 0.088 5 0 "[ . 1]" 1 21 VAL 3.982 0.253 2 0 "[ . 1]" 1 22 THR 5.150 0.253 2 0 "[ . 1]" 1 23 VAL 1.497 0.176 5 0 "[ . 1]" 1 24 THR 0.000 0.000 . 0 "[ . 1]" 1 25 GLU 0.000 0.000 . 0 "[ . 1]" 1 26 ASP 2.134 0.544 1 4 "[+- *. * 1]" 1 27 LYS 2.033 0.981 6 2 "[ - .+ 1]" 1 28 ILE 0.000 0.000 . 0 "[ . 1]" 1 29 ASN 0.195 0.057 4 0 "[ . 1]" 1 30 ALA 0.000 0.000 . 0 "[ . 1]" 1 31 LEU 0.000 0.000 . 0 "[ . 1]" 1 32 ILE 0.310 0.065 5 0 "[ . 1]" 1 33 LYS 0.467 0.102 10 0 "[ . 1]" 1 34 ALA 0.000 0.000 . 0 "[ . 1]" 1 35 ALA 0.000 0.000 . 0 "[ . 1]" 1 36 GLY 0.189 0.039 4 0 "[ . 1]" 1 37 VAL 1.558 0.120 9 0 "[ . 1]" 1 38 ASN 1.704 0.206 1 0 "[ . 1]" 1 39 VAL 5.244 0.229 7 0 "[ . 1]" 1 40 GLU 3.369 0.239 3 0 "[ . 1]" 1 41 PRO 2.701 0.229 6 0 "[ . 1]" 1 42 PHE 0.445 0.069 9 0 "[ . 1]" 1 43 TRP 3.217 0.239 3 0 "[ . 1]" 1 44 PRO 0.083 0.037 4 0 "[ . 1]" 1 45 GLY 0.083 0.037 4 0 "[ . 1]" 1 46 LEU 1.618 0.147 1 0 "[ . 1]" 1 47 PHE 0.000 0.000 . 0 "[ . 1]" 1 48 ALA 0.159 0.058 6 0 "[ . 1]" 1 49 LYS 0.005 0.005 9 0 "[ . 1]" 1 50 ALA 0.000 0.000 . 0 "[ . 1]" 1 51 LEU 0.056 0.026 10 0 "[ . 1]" 1 52 ALA 0.000 0.000 . 0 "[ . 1]" 1 53 ASN 0.000 0.000 . 0 "[ . 1]" 1 54 VAL 0.727 0.142 9 0 "[ . 1]" 1 55 ASN 1.139 0.142 9 0 "[ . 1]" 1 56 ILE 0.000 0.000 . 0 "[ . 1]" 1 57 GLY 1.224 0.142 4 0 "[ . 1]" 1 58 SER 1.566 0.142 4 0 "[ . 1]" 1 59 LEU 0.036 0.009 1 0 "[ . 1]" 1 60 ILE 0.000 0.000 . 0 "[ . 1]" 1 61 CYS 0.968 0.270 3 0 "[ . 1]" 1 62 ASN 0.968 0.270 3 0 "[ . 1]" 1 63 VAL 1.168 0.200 5 0 "[ . 1]" 1 64 GLY 0.849 0.200 5 0 "[ . 1]" 1 65 ALA 0.237 0.111 4 0 "[ . 1]" 1 66 GLY 0.237 0.111 4 0 "[ . 1]" 1 68 PRO 0.000 0.000 . 0 "[ . 1]" 1 69 ALA 0.000 0.000 . 0 "[ . 1]" 2 4 TYR 1.032 0.201 3 0 "[ . 1]" 2 5 VAL 0.194 0.194 5 0 "[ . 1]" 2 6 ALA 0.103 0.075 9 0 "[ . 1]" 2 7 SER 0.194 0.194 5 0 "[ . 1]" 2 8 TYR 3.373 0.206 1 0 "[ . 1]" 2 9 LEU 3.519 0.206 1 0 "[ . 1]" 2 10 LEU 0.000 0.000 . 0 "[ . 1]" 2 11 ALA 0.000 0.000 . 0 "[ . 1]" 2 12 ALA 0.406 0.074 1 0 "[ . 1]" 2 13 LEU 0.408 0.087 6 0 "[ . 1]" 2 14 GLY 0.297 0.071 1 0 "[ . 1]" 2 15 GLY 0.154 0.074 1 0 "[ . 1]" 2 16 ASN 1.911 0.250 6 0 "[ . 1]" 2 17 SER 3.929 0.250 6 0 "[ . 1]" 2 18 SER 2.089 0.238 10 0 "[ . 1]" 2 19 PRO 0.001 0.001 10 0 "[ . 1]" 2 20 SER 3.591 0.302 9 0 "[ . 1]" 2 21 ALA 6.092 0.302 9 0 "[ . 1]" 2 22 LYS 2.595 0.292 4 0 "[ . 1]" 2 23 ASP 4.025 0.268 4 0 "[ . 1]" 2 24 ILE 0.000 0.000 . 0 "[ . 1]" 2 25 LYS 2.755 0.297 6 0 "[ . 1]" 2 26 LYS 3.363 0.257 8 0 "[ . 1]" 2 27 ILE 0.000 0.000 . 0 "[ . 1]" 2 28 LEU 0.000 0.000 . 0 "[ . 1]" 2 29 ASP 0.189 0.063 1 0 "[ . 1]" 2 30 SER 0.000 0.000 . 0 "[ . 1]" 2 31 VAL 0.000 0.000 . 0 "[ . 1]" 2 32 GLY 0.000 0.000 . 0 "[ . 1]" 2 33 ILE 7.181 0.839 9 1 "[ . +1]" 2 34 GLU 0.000 0.000 . 0 "[ . 1]" 2 35 ALA 0.000 0.000 . 0 "[ . 1]" 2 36 ASP 0.401 0.071 9 0 "[ . 1]" 2 37 ASP 1.874 0.091 5 0 "[ . 1]" 2 38 ASP 3.063 0.176 10 0 "[ . 1]" 2 39 ARG 2.878 0.183 6 0 "[ . 1]" 2 40 LEU 2.202 0.129 7 0 "[ . 1]" 2 41 ASN 2.715 0.156 1 0 "[ . 1]" 2 42 LYS 1.123 0.119 4 0 "[ . 1]" 2 43 VAL 1.916 0.216 5 0 "[ . 1]" 2 44 ILE 8.155 0.377 8 0 "[ . 1]" 2 45 SER 4.542 0.377 8 0 "[ . 1]" 2 46 GLU 2.123 0.835 9 1 "[ . +1]" 2 47 LEU 2.306 0.181 6 0 "[ . 1]" 2 48 ASN 0.248 0.067 10 0 "[ . 1]" 2 49 GLY 0.248 0.067 10 0 "[ . 1]" 2 50 LYS 0.000 0.000 . 0 "[ . 1]" 2 51 ASN 1.664 0.235 7 0 "[ . 1]" 2 52 ILE 2.738 0.235 7 0 "[ . 1]" 2 53 GLU 1.684 0.230 3 0 "[ . 1]" 2 54 ASP 0.000 0.000 . 0 "[ . 1]" 2 55 VAL 0.000 0.000 . 0 "[ . 1]" 2 56 ILE 1.960 0.230 3 0 "[ . 1]" 2 57 ALA 0.000 0.000 . 0 "[ . 1]" 2 58 GLN 0.726 0.086 10 0 "[ . 1]" 2 59 GLY 0.013 0.013 8 0 "[ . 1]" 2 60 ILE 2.491 0.224 5 0 "[ . 1]" 2 61 GLY 1.273 0.250 1 0 "[ . 1]" 2 62 LYS 1.639 0.242 10 0 "[ . 1]" 2 63 LEU 3.001 0.262 3 0 "[ . 1]" 2 64 ALA 0.980 0.467 9 0 "[ . 1]" 2 65 SER 0.513 0.143 2 0 "[ . 1]" 2 66 VAL 2.504 0.268 9 0 "[ . 1]" 2 67 PRO 0.000 0.000 . 0 "[ . 1]" 2 68 ALA 0.000 0.000 . 0 "[ . 1]" 2 69 GLY 0.234 0.138 7 0 "[ . 1]" 2 70 GLY 0.234 0.138 7 0 "[ . 1]" 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 3 SER H 1 3 SER HB2 2.880 . 3.917 2.854 2.568 3.627 . 0 0 "[ . 1]" 2 2 1 3 SER H 1 3 SER HA 2.219 . 2.834 2.878 2.854 2.907 0.073 1 0 "[ . 1]" 2 3 1 3 SER H 1 6 GLU H 3.352 . 4.756 4.272 4.008 4.491 . 0 0 "[ . 1]" 2 4 1 3 SER H 1 4 VAL H 3.288 . 4.639 4.478 4.372 4.535 . 0 0 "[ . 1]" 2 5 1 4 VAL H 1 4 VAL HB 2.607 . 3.077 2.135 2.106 2.164 . 0 0 "[ . 1]" 2 6 1 4 VAL H 1 4 VAL HA 2.964 . 3.470 2.747 2.715 2.781 . 0 0 "[ . 1]" 2 7 1 3 SER HB3 1 4 VAL H 2.995 . 3.918 3.364 3.008 4.018 0.100 10 0 "[ . 1]" 2 8 1 3 SER HA 1 4 VAL H 2.408 . 2.892 2.111 2.081 2.134 . 0 0 "[ . 1]" 2 9 1 4 VAL H 1 5 SER H 2.997 . 3.499 2.846 2.722 2.978 . 0 0 "[ . 1]" 2 10 1 4 VAL HB 1 5 SER H 2.662 . 3.494 3.212 3.143 3.283 . 0 0 "[ . 1]" 2 11 1 5 SER H 1 6 GLU HA 3.300 . 5.000 5.171 5.155 5.199 0.199 8 0 "[ . 1]" 2 12 1 4 VAL HA 1 5 SER H 3.177 . 4.439 3.494 3.462 3.530 . 0 0 "[ . 1]" 2 13 1 3 SER HA 1 5 SER H 2.834 . 3.838 3.898 3.745 4.011 0.173 9 0 "[ . 1]" 2 14 1 5 SER H 1 6 GLU H 2.772 . 3.732 2.572 2.531 2.666 . 0 0 "[ . 1]" 2 15 1 7 LEU H 1 7 LEU HA 2.930 . 3.797 2.768 2.746 2.789 . 0 0 "[ . 1]" 2 16 1 6 GLU H 1 7 LEU H 2.826 . 3.824 2.741 2.530 2.840 . 0 0 "[ . 1]" 2 17 1 7 LEU H 1 8 ALA H 2.831 . 3.558 2.815 2.775 2.893 . 0 0 "[ . 1]" 2 18 1 7 LEU HB3 1 8 ALA H 2.359 . 3.055 2.836 2.720 2.923 . 0 0 "[ . 1]" 2 19 1 7 LEU HA 1 8 ALA H 3.099 . 4.299 3.560 3.544 3.574 . 0 0 "[ . 1]" 2 20 1 8 ALA H 1 8 ALA HA 2.629 . 3.493 2.838 2.819 2.850 . 0 0 "[ . 1]" 2 21 1 8 ALA H 1 9 CYS H 2.679 . 3.576 2.583 2.541 2.672 . 0 0 "[ . 1]" 2 22 1 9 CYS H 1 10 ILE HB 3.031 . 4.179 4.301 4.283 4.329 0.150 3 0 "[ . 1]" 2 23 1 6 GLU HA 1 9 CYS H 3.262 . 4.592 3.541 3.465 3.626 . 0 0 "[ . 1]" 2 24 1 7 LEU HA 1 9 CYS H 3.336 . 4.727 4.268 4.207 4.338 . 0 0 "[ . 1]" 2 25 1 9 CYS H 1 9 CYS HA 2.772 . 3.733 2.852 2.840 2.863 . 0 0 "[ . 1]" 2 26 1 9 CYS H 1 10 ILE H 2.870 . 3.447 2.436 2.403 2.461 . 0 0 "[ . 1]" 2 27 1 7 LEU HA 1 10 ILE H 2.649 . 3.526 3.358 3.312 3.396 . 0 0 "[ . 1]" 2 28 1 9 CYS HA 1 10 ILE H 3.143 . 3.836 3.498 3.484 3.511 . 0 0 "[ . 1]" 2 29 1 10 ILE H 1 11 TYR H 2.786 . 3.356 2.912 2.865 2.950 . 0 0 "[ . 1]" 2 30 1 10 ILE HB 1 11 TYR H 2.658 . 3.541 2.295 2.246 2.335 . 0 0 "[ . 1]" 2 31 1 8 ALA HA 1 11 TYR H 3.040 . 4.196 3.158 3.092 3.363 . 0 0 "[ . 1]" 2 32 1 11 TYR H 1 11 TYR HA 2.936 . 3.433 2.846 2.832 2.856 . 0 0 "[ . 1]" 2 33 1 11 TYR H 1 11 TYR HD1 2.856 . 3.875 3.567 3.481 3.632 . 0 0 "[ . 1]" 2 34 1 9 CYS H 1 11 TYR H 3.388 . 4.823 3.972 3.924 4.062 . 0 0 "[ . 1]" 2 35 1 8 ALA HA 1 12 SER H 3.300 . 5.000 3.985 3.890 4.129 . 0 0 "[ . 1]" 2 36 1 12 SER H 1 12 SER HA 2.565 . 3.387 2.786 2.773 2.795 . 0 0 "[ . 1]" 2 37 1 12 SER H 1 13 ALA H 2.659 . 3.500 2.732 2.689 2.801 . 0 0 "[ . 1]" 2 38 1 11 TYR H 1 12 SER H 2.727 . 3.657 2.701 2.679 2.726 . 0 0 "[ . 1]" 2 39 1 11 TYR HA 1 12 SER H 3.402 . 4.849 3.577 3.557 3.591 . 0 0 "[ . 1]" 2 40 1 9 CYS HA 1 13 ALA H 3.300 . 5.000 4.058 3.865 4.239 . 0 0 "[ . 1]" 2 41 1 10 ILE HA 1 13 ALA H 3.215 . 4.507 3.902 3.802 4.093 . 0 0 "[ . 1]" 2 42 1 14 LEU H 1 14 LEU HB2 2.483 . 3.253 2.091 2.067 2.110 . 0 0 "[ . 1]" 2 43 1 14 LEU H 1 14 LEU HA 2.800 . 3.685 2.814 2.805 2.827 . 0 0 "[ . 1]" 2 44 1 11 TYR HA 1 14 LEU H 3.226 . 4.527 2.871 2.819 2.930 . 0 0 "[ . 1]" 2 45 1 14 LEU H 1 15 ILE H 2.921 . 3.987 2.801 2.751 2.839 . 0 0 "[ . 1]" 2 46 1 15 ILE H 1 16 LEU H 2.978 . 4.087 2.731 2.655 2.785 . 0 0 "[ . 1]" 2 47 1 16 LEU H 1 16 LEU HA 2.907 . 3.839 2.777 2.757 2.791 . 0 0 "[ . 1]" 2 48 1 16 LEU H 1 17 HIS H 3.005 . 4.134 2.737 2.691 2.815 . 0 0 "[ . 1]" 2 49 1 16 LEU HG 1 17 HIS H 3.328 . 4.712 4.651 4.513 4.802 0.090 4 0 "[ . 1]" 2 50 1 13 ALA HA 1 17 HIS H 3.249 . 4.569 4.097 3.853 4.334 . 0 0 "[ . 1]" 2 51 1 17 HIS H 1 17 HIS HA 2.982 . 4.094 2.869 2.856 2.897 . 0 0 "[ . 1]" 2 52 1 15 ILE H 1 17 HIS H 3.211 . 4.500 4.082 3.910 4.156 . 0 0 "[ . 1]" 2 53 1 18 ASP H 1 18 ASP HA 2.599 . 3.378 2.849 2.803 2.879 . 0 0 "[ . 1]" 2 54 1 18 ASP H 1 19 ASP H 2.728 . 3.658 2.574 2.365 2.748 . 0 0 "[ . 1]" 2 55 1 17 HIS H 1 18 ASP H 2.873 . 3.905 2.581 2.495 2.647 . 0 0 "[ . 1]" 2 56 1 16 LEU HA 1 19 ASP H 2.902 . 3.954 3.961 3.893 4.031 0.077 2 0 "[ . 1]" 2 57 1 18 ASP HA 1 19 ASP H 2.895 . 3.943 3.533 3.475 3.558 . 0 0 "[ . 1]" 2 58 1 19 ASP H 1 19 ASP HA 2.794 . 3.770 2.931 2.914 2.944 . 0 0 "[ . 1]" 2 59 1 19 ASP H 1 20 GLU H 2.292 . 2.949 2.054 1.932 2.169 . 0 0 "[ . 1]" 2 60 1 20 GLU H 1 20 GLU HA 2.213 . 2.549 2.239 2.229 2.247 . 0 0 "[ . 1]" 2 61 1 17 HIS HA 1 20 GLU H 2.812 . 3.801 2.917 2.713 3.074 . 0 0 "[ . 1]" 2 62 1 19 ASP HA 1 20 GLU H 2.810 . 3.688 3.268 3.231 3.311 . 0 0 "[ . 1]" 2 63 1 21 VAL H 1 21 VAL HB 2.337 . 3.020 2.852 2.759 2.924 . 0 0 "[ . 1]" 2 64 1 20 GLU HA 1 21 VAL H 2.466 . 3.226 2.538 2.469 2.624 . 0 0 "[ . 1]" 2 65 1 21 VAL H 1 21 VAL HA 2.636 . 3.309 2.910 2.900 2.919 . 0 0 "[ . 1]" 2 66 1 17 HIS HA 1 21 VAL H 2.874 . 3.907 3.905 3.764 3.967 0.060 5 0 "[ . 1]" 2 67 1 19 ASP HA 1 21 VAL H 3.300 . 5.000 5.045 5.006 5.094 0.094 3 0 "[ . 1]" 2 68 1 19 ASP H 1 21 VAL H 2.897 . 3.946 3.750 3.617 3.867 . 0 0 "[ . 1]" 2 69 1 21 VAL H 1 22 THR H 3.024 . 4.167 4.399 4.367 4.420 0.253 2 0 "[ . 1]" 2 70 1 21 VAL HB 1 22 THR H 2.800 . 3.800 3.718 3.638 3.793 . 0 0 "[ . 1]" 2 71 1 22 THR H 1 22 THR HB 2.800 . 3.800 3.594 3.579 3.617 . 0 0 "[ . 1]" 2 72 1 21 VAL HA 1 22 THR H 2.043 . 2.503 2.453 2.240 2.599 0.096 9 0 "[ . 1]" 2 73 1 22 THR H 1 23 VAL H 3.300 . 4.794 4.533 4.474 4.571 . 0 0 "[ . 1]" 2 74 1 23 VAL H 1 23 VAL HA 2.922 . 3.925 2.932 2.913 2.947 . 0 0 "[ . 1]" 2 75 1 22 THR HB 1 23 VAL H . . 3.255 2.934 2.785 3.157 . 0 0 "[ . 1]" 2 76 1 23 VAL H 1 24 THR H 3.288 . 4.516 4.204 4.130 4.273 . 0 0 "[ . 1]" 2 77 1 23 VAL HB 1 24 THR H 3.181 . 4.446 4.333 4.307 4.350 . 0 0 "[ . 1]" 2 78 1 23 VAL HA 1 24 THR H 2.225 . 2.844 2.153 2.133 2.179 . 0 0 "[ . 1]" 2 79 1 24 THR H 1 24 THR HA 2.790 . 3.763 2.920 2.914 2.930 . 0 0 "[ . 1]" 2 80 1 24 THR H 1 27 LYS H 3.144 . 4.379 3.425 3.250 3.621 . 0 0 "[ . 1]" 2 81 1 24 THR H 1 25 GLU H 3.438 . 4.916 4.391 4.362 4.424 . 0 0 "[ . 1]" 2 82 1 25 GLU H 1 25 GLU HA 2.742 . 3.513 2.777 2.762 2.794 . 0 0 "[ . 1]" 2 83 1 24 THR HA 1 25 GLU H 2.335 . 3.017 2.330 2.286 2.406 . 0 0 "[ . 1]" 2 84 1 25 GLU H 1 26 ASP H 2.688 . 3.394 2.757 2.672 2.837 . 0 0 "[ . 1]" 2 85 1 25 GLU HA 1 26 ASP H 2.997 . 3.643 3.523 3.501 3.544 . 0 0 "[ . 1]" 2 86 1 26 ASP H 1 26 ASP HA 2.461 . 3.218 2.816 2.784 2.837 . 0 0 "[ . 1]" 2 87 1 24 THR HB 1 26 ASP H 2.625 . 3.486 2.872 2.727 3.022 . 0 0 "[ . 1]" 2 88 1 26 ASP H 1 27 LYS H 2.541 . 3.348 2.654 2.556 2.780 . 0 0 "[ . 1]" 2 89 1 25 GLU HA 1 27 LYS H 3.351 . 4.755 4.124 4.023 4.223 . 0 0 "[ . 1]" 2 90 1 27 LYS H 1 27 LYS HA 2.749 . 3.501 2.835 2.821 2.849 . 0 0 "[ . 1]" 2 91 1 26 ASP HA 1 27 LYS H 3.183 . 4.450 3.504 3.467 3.541 . 0 0 "[ . 1]" 2 92 1 24 THR HA 1 27 LYS H 3.350 . 4.753 4.339 4.276 4.404 . 0 0 "[ . 1]" 2 93 1 27 LYS H 1 28 ILE H 5.000 . 5.500 2.581 2.525 2.673 . 0 0 "[ . 1]" 2 94 1 27 LYS HA 1 28 ILE H 5.000 . 5.500 3.524 3.518 3.533 . 0 0 "[ . 1]" 2 95 1 24 THR H 1 28 ILE H 5.000 . 5.500 3.651 3.477 3.805 . 0 0 "[ . 1]" 2 96 1 28 ILE H 1 29 ASN H 5.000 . 5.500 2.706 2.659 2.772 . 0 0 "[ . 1]" 2 97 1 28 ILE HB 1 29 ASN H 5.000 . 5.500 2.615 2.548 2.680 . 0 0 "[ . 1]" 2 98 1 27 LYS HA 1 29 ASN H 3.189 . 4.460 4.470 4.413 4.517 0.057 4 0 "[ . 1]" 2 99 1 29 ASN H 1 29 ASN HA 2.448 . 3.197 2.813 2.790 2.842 . 0 0 "[ . 1]" 2 100 1 29 ASN H 1 31 LEU H 5.000 . 5.500 4.318 4.198 4.362 . 0 0 "[ . 1]" 2 101 1 29 ASN H 1 30 ALA H 5.000 . 5.500 2.672 2.570 2.778 . 0 0 "[ . 1]" 2 102 1 28 ILE HA 1 30 ALA H 5.000 . 5.500 4.260 4.169 4.426 . 0 0 "[ . 1]" 2 103 1 30 ALA H 1 31 LEU H 5.000 . 5.500 2.781 2.681 2.838 . 0 0 "[ . 1]" 2 104 1 31 LEU H 1 31 LEU HG 5.000 . 5.500 4.121 4.086 4.184 . 0 0 "[ . 1]" 2 105 1 28 ILE HA 1 31 LEU H 5.000 . 5.500 3.366 3.261 3.514 . 0 0 "[ . 1]" 2 106 1 31 LEU H 1 32 ILE H 5.000 . 5.500 2.751 2.643 2.797 . 0 0 "[ . 1]" 2 107 1 32 ILE H 1 32 ILE HG13 5.000 . 5.500 2.249 2.175 2.325 . 0 0 "[ . 1]" 2 108 1 31 LEU HA 1 32 ILE H 5.000 . 5.500 3.528 3.519 3.534 . 0 0 "[ . 1]" 2 109 1 29 ASN HA 1 32 ILE H 5.000 . 5.500 3.361 3.071 3.672 . 0 0 "[ . 1]" 2 110 1 32 ILE H 1 33 LYS H 5.000 . 5.500 2.927 2.897 2.954 . 0 0 "[ . 1]" 2 111 1 33 LYS H 1 33 LYS HB2 2.067 . 2.598 2.505 2.258 2.700 0.102 10 0 "[ . 1]" 2 112 1 32 ILE HA 1 33 LYS H 5.000 . 5.500 3.552 3.534 3.558 . 0 0 "[ . 1]" 2 113 1 33 LYS HB2 1 34 ALA H 5.000 . 5.500 3.411 2.699 4.022 . 0 0 "[ . 1]" 2 114 1 31 LEU H 1 34 ALA H 5.000 . 5.500 4.732 4.615 4.835 . 0 0 "[ . 1]" 2 115 1 34 ALA H 1 35 ALA H 5.000 . 5.500 2.674 2.574 2.793 . 0 0 "[ . 1]" 2 116 1 32 ILE HA 1 35 ALA H 5.000 . 5.500 4.071 3.964 4.164 . 0 0 "[ . 1]" 2 117 1 35 ALA H 1 37 VAL H 5.000 . 5.500 3.921 3.783 4.044 . 0 0 "[ . 1]" 2 118 1 36 GLY H 1 37 VAL H 2.331 . 3.010 2.160 2.118 2.197 . 0 0 "[ . 1]" 2 119 1 34 ALA H 1 36 GLY H 5.000 . 5.500 3.907 3.783 4.028 . 0 0 "[ . 1]" 2 120 1 37 VAL H 1 37 VAL HB 2.388 . 3.101 3.205 3.161 3.221 0.120 9 0 "[ . 1]" 2 121 1 37 VAL H 1 37 VAL HA 2.466 . 3.226 2.940 2.937 2.942 . 0 0 "[ . 1]" 2 122 1 32 ILE HA 1 37 VAL H 5.000 . 5.500 3.480 3.300 3.572 . 0 0 "[ . 1]" 2 123 1 37 VAL H 1 38 ASN H 3.279 . 4.448 4.274 4.217 4.312 . 0 0 "[ . 1]" 2 124 1 37 VAL HB 1 38 ASN H 3.233 . 4.539 4.101 4.074 4.126 . 0 0 "[ . 1]" 2 125 1 37 VAL HA 1 38 ASN H 2.195 . 2.723 2.069 2.022 2.096 . 0 0 "[ . 1]" 2 126 1 38 ASN H 1 38 ASN HA 2.673 . 3.566 2.925 2.909 2.939 . 0 0 "[ . 1]" 2 127 1 38 ASN H 1 39 VAL H 3.212 . 4.502 4.517 4.474 4.531 0.029 5 0 "[ . 1]" 2 128 1 39 VAL H 1 39 VAL HB 2.594 . 3.435 2.531 2.480 2.565 . 0 0 "[ . 1]" 2 129 1 39 VAL H 1 39 VAL HA 2.587 . 3.354 2.928 2.923 2.931 . 0 0 "[ . 1]" 2 130 1 38 ASN HA 1 39 VAL H 2.021 . 2.532 2.320 2.250 2.436 . 0 0 "[ . 1]" 2 131 1 39 VAL HB 1 40 GLU H 3.300 . 5.000 3.717 3.669 3.789 . 0 0 "[ . 1]" 2 132 1 39 VAL HA 1 40 GLU H 3.300 . 5.000 2.377 2.341 2.425 . 0 0 "[ . 1]" 2 133 1 40 GLU H 1 43 TRP HD1 3.065 . 4.239 2.700 2.460 2.774 . 0 0 "[ . 1]" 2 134 1 39 VAL H 1 40 GLU H 3.584 . 5.189 4.439 4.414 4.456 . 0 0 "[ . 1]" 2 135 1 41 PRO HA 1 42 PHE H 3.179 . 3.723 3.547 3.522 3.559 . 0 0 "[ . 1]" 2 136 1 42 PHE H 1 43 TRP H 2.798 . 3.776 2.618 2.588 2.640 . 0 0 "[ . 1]" 2 137 1 44 PRO HB3 1 45 GLY H 2.808 . 3.793 3.794 3.770 3.830 0.037 4 0 "[ . 1]" 2 138 1 45 GLY H 1 46 LEU H 2.940 . 3.394 2.902 2.844 2.953 . 0 0 "[ . 1]" 2 139 1 46 LEU H 1 46 LEU HB3 2.509 . 3.296 2.089 2.054 2.131 . 0 0 "[ . 1]" 2 140 1 46 LEU H 1 46 LEU HA 2.583 . 3.117 2.821 2.810 2.836 . 0 0 "[ . 1]" 2 141 1 43 TRP HA 1 46 LEU H 3.115 . 3.511 3.453 3.363 3.559 0.048 9 0 "[ . 1]" 2 142 1 46 LEU H 1 47 PHE H 2.606 . 3.455 2.622 2.569 2.663 . 0 0 "[ . 1]" 2 143 1 46 LEU HB3 1 47 PHE H 3.276 . 4.617 3.080 2.940 3.201 . 0 0 "[ . 1]" 2 144 1 47 PHE H 1 47 PHE HB2 3.136 . 3.553 2.128 2.111 2.151 . 0 0 "[ . 1]" 2 145 1 47 PHE H 1 48 ALA H 2.926 . 3.699 2.605 2.510 2.727 . 0 0 "[ . 1]" 2 146 1 48 ALA H 1 48 ALA HA 2.519 . 3.312 2.832 2.822 2.839 . 0 0 "[ . 1]" 2 147 1 46 LEU HA 1 48 ALA H 3.189 . 4.460 4.454 4.391 4.518 0.058 6 0 "[ . 1]" 2 148 1 48 ALA H 1 49 LYS H 2.523 . 3.319 2.484 2.455 2.518 . 0 0 "[ . 1]" 2 149 1 49 LYS H 1 49 LYS HB2 2.138 . 2.542 2.280 2.194 2.330 . 0 0 "[ . 1]" 2 150 1 48 ALA HA 1 49 LYS H 2.796 . 3.773 3.467 3.446 3.480 . 0 0 "[ . 1]" 2 151 1 49 LYS H 1 49 LYS HA 2.374 . 3.078 2.812 2.789 2.835 . 0 0 "[ . 1]" 2 152 1 48 ALA HA 1 51 LEU H 2.877 . 3.911 3.842 3.687 3.937 0.026 10 0 "[ . 1]" 2 153 1 50 ALA HA 1 51 LEU H 2.863 . 3.888 3.560 3.539 3.598 . 0 0 "[ . 1]" 2 154 1 51 LEU H 1 51 LEU HA 2.851 . 3.867 2.836 2.814 2.867 . 0 0 "[ . 1]" 2 155 1 51 LEU H 1 52 ALA H 2.565 . 3.327 2.780 2.647 3.277 . 0 0 "[ . 1]" 2 156 1 51 LEU H 1 53 ASN H 3.313 . 4.685 4.314 4.164 4.679 . 0 0 "[ . 1]" 2 157 1 52 ALA H 1 53 ASN HA 5.000 . 5.500 4.969 4.378 5.123 . 0 0 "[ . 1]" 2 158 1 52 ALA H 1 53 ASN H 5.000 . 5.500 2.320 1.612 2.520 . 0 0 "[ . 1]" 2 159 1 52 ALA HA 1 53 ASN H 5.000 . 5.500 3.315 3.143 3.448 . 0 0 "[ . 1]" 2 160 1 53 ASN H 1 53 ASN HA 2.811 . 3.798 2.936 2.918 2.953 . 0 0 "[ . 1]" 2 161 1 53 ASN H 1 54 VAL H 2.551 . 3.091 1.974 1.893 2.072 . 0 0 "[ . 1]" 2 162 1 54 VAL H 1 54 VAL HB 3.400 2.536 3.700 3.682 3.646 3.720 0.020 2 0 "[ . 1]" 2 163 1 54 VAL H 1 54 VAL HA 2.660 . 3.511 2.911 2.885 2.937 . 0 0 "[ . 1]" 2 164 1 53 ASN HA 1 54 VAL H 2.704 . 3.618 3.542 3.493 3.562 . 0 0 "[ . 1]" 2 165 1 54 VAL H 1 55 ASN H 3.147 . 4.385 4.455 4.406 4.527 0.142 9 0 "[ . 1]" 2 166 1 54 VAL HA 1 55 ASN H 2.289 . 2.880 2.617 2.421 2.748 . 0 0 "[ . 1]" 2 167 1 56 ILE HB 1 57 GLY H 3.272 . 4.611 3.959 3.873 4.027 . 0 0 "[ . 1]" 2 168 1 57 GLY H 1 58 SER HA 3.445 . 4.929 5.046 5.004 5.071 0.142 4 0 "[ . 1]" 2 169 1 55 ASN HA 1 57 GLY H 3.165 . 4.417 4.257 3.958 4.449 0.032 7 0 "[ . 1]" 2 170 1 57 GLY H 1 58 SER H 2.567 . 3.332 2.495 2.458 2.529 . 0 0 "[ . 1]" 2 171 1 56 ILE H 1 57 GLY H 3.142 . 4.376 2.563 2.379 2.668 . 0 0 "[ . 1]" 2 172 1 58 SER H 1 58 SER HA 2.557 . 2.958 2.865 2.860 2.874 . 0 0 "[ . 1]" 2 173 1 55 ASN HA 1 58 SER H 3.254 . 4.578 4.591 4.414 4.693 0.115 1 0 "[ . 1]" 2 174 1 59 LEU H 1 59 LEU HG 2.108 . 2.663 2.223 2.182 2.257 . 0 0 "[ . 1]" 2 175 1 58 SER QB 1 59 LEU H 2.471 . 3.234 2.956 2.904 2.996 . 0 0 "[ . 1]" 2 176 1 59 LEU H 1 59 LEU HA 2.502 . 3.284 2.816 2.805 2.826 . 0 0 "[ . 1]" 2 177 1 60 ILE H 1 60 ILE HB 2.679 . 3.242 1.960 1.929 2.000 . 0 0 "[ . 1]" 2 178 1 60 ILE H 1 60 ILE HA 2.810 . 3.650 2.811 2.796 2.825 . 0 0 "[ . 1]" 2 179 1 60 ILE HB 1 61 CYS H 2.725 . 3.653 3.423 3.165 3.528 . 0 0 "[ . 1]" 2 180 1 61 CYS H 1 61 CYS HA 2.596 . 3.176 2.911 2.877 2.920 . 0 0 "[ . 1]" 2 181 1 61 CYS H 1 62 ASN HA 3.251 . 4.572 4.568 4.318 4.678 0.106 9 0 "[ . 1]" 2 182 1 60 ILE H 1 61 CYS H 2.638 . 3.508 2.566 2.477 2.635 . 0 0 "[ . 1]" 2 183 1 62 ASN H 1 62 ASN HA 2.459 . 3.215 2.695 2.179 2.861 . 0 0 "[ . 1]" 2 184 1 63 VAL H 1 63 VAL HB 3.300 . 5.000 3.380 2.629 3.778 . 0 0 "[ . 1]" 2 185 1 63 VAL H 1 63 VAL HA 2.419 . 3.028 2.846 2.297 2.939 . 0 0 "[ . 1]" 2 186 1 62 ASN H 1 63 VAL H 2.565 . 3.387 2.732 2.467 3.215 . 0 0 "[ . 1]" 2 187 1 63 VAL H 1 64 GLY H 2.604 . 3.452 2.935 2.472 3.504 0.052 4 0 "[ . 1]" 2 188 1 63 VAL HB 1 64 GLY H 3.300 . 5.000 4.444 4.327 4.621 . 0 0 "[ . 1]" 2 189 1 65 ALA H 1 65 ALA HA 2.621 . 3.480 2.652 2.252 2.949 . 0 0 "[ . 1]" 2 190 1 65 ALA H 1 66 GLY H 2.559 . 3.377 2.873 2.322 3.488 0.111 4 0 "[ . 1]" 2 191 1 65 ALA HA 1 66 GLY H 2.637 . 3.506 2.900 2.481 3.549 0.043 10 0 "[ . 1]" 2 192 1 68 PRO HA 1 69 ALA H 3.234 . 4.542 2.773 2.161 3.573 . 0 0 "[ . 1]" 2 193 1 6 GLU HA 1 43 TRP HE1 3.135 . 4.262 3.631 3.404 3.821 . 0 0 "[ . 1]" 2 194 1 40 GLU H 1 43 TRP HE1 3.269 . 4.605 4.739 4.495 4.844 0.239 3 0 "[ . 1]" 2 195 2 6 ALA H 2 7 SER H 3.172 . 4.289 2.634 2.559 2.695 . 0 0 "[ . 1]" 2 196 2 4 TYR HA 2 6 ALA H 3.270 . 4.607 3.716 3.601 3.850 . 0 0 "[ . 1]" 2 197 2 5 VAL HB 2 6 ALA H 2.877 . 3.911 2.478 2.296 3.440 . 0 0 "[ . 1]" 2 198 2 6 ALA H 2 8 TYR H 3.051 . 4.214 3.977 3.870 4.050 . 0 0 "[ . 1]" 2 199 2 5 VAL HB 2 7 SER H 3.300 . 5.000 4.909 4.781 5.194 0.194 5 0 "[ . 1]" 2 200 2 4 TYR HA 2 7 SER H 2.744 . 3.685 3.043 2.962 3.168 . 0 0 "[ . 1]" 2 201 2 5 VAL HA 2 7 SER H 3.566 . 5.156 4.554 4.188 4.664 . 0 0 "[ . 1]" 2 202 2 7 SER H 2 8 TYR H 2.914 . 3.975 2.522 2.299 2.563 . 0 0 "[ . 1]" 2 203 2 7 SER H 2 7 SER HA 2.875 . 3.908 2.813 2.795 2.880 . 0 0 "[ . 1]" 2 204 2 6 ALA HA 2 7 SER H 2.930 . 4.003 3.529 3.458 3.543 . 0 0 "[ . 1]" 2 205 2 7 SER HA 2 8 TYR H 3.273 . 4.612 3.488 3.474 3.498 . 0 0 "[ . 1]" 2 206 2 4 TYR HA 2 8 TYR H 3.395 . 4.836 4.414 4.325 4.495 . 0 0 "[ . 1]" 2 207 2 8 TYR H 2 8 TYR HA 2.826 . 3.391 2.816 2.806 2.822 . 0 0 "[ . 1]" 2 208 2 8 TYR HD1 2 9 LEU H 3.030 . 4.178 3.290 3.084 3.431 . 0 0 "[ . 1]" 2 209 2 8 TYR HB2 2 9 LEU H 3.372 . 4.110 3.629 3.554 3.696 . 0 0 "[ . 1]" 2 210 2 9 LEU H 2 9 LEU HG 2.873 . 3.904 4.006 3.989 4.037 0.133 1 0 "[ . 1]" 2 211 2 9 LEU H 2 9 LEU HA 2.864 . 3.889 2.764 2.754 2.773 . 0 0 "[ . 1]" 2 212 2 9 LEU HA 2 10 LEU H 2.972 . 4.076 3.553 3.540 3.568 . 0 0 "[ . 1]" 2 213 1 11 TYR HD2 2 10 LEU H 3.084 . 4.273 3.930 3.672 4.090 . 0 0 "[ . 1]" 2 214 2 11 ALA H 2 11 ALA HA 2.702 . 2.991 2.802 2.771 2.820 . 0 0 "[ . 1]" 2 215 2 9 LEU HA 2 12 ALA H 3.061 . 4.232 3.542 3.450 3.607 . 0 0 "[ . 1]" 2 216 2 11 ALA HA 2 12 ALA H 2.846 . 3.859 3.521 3.513 3.532 . 0 0 "[ . 1]" 2 217 2 12 ALA H 2 12 ALA HA 2.671 . 2.988 2.833 2.812 2.863 . 0 0 "[ . 1]" 2 218 2 8 TYR HA 2 12 ALA H 3.187 . 4.457 4.211 4.173 4.255 . 0 0 "[ . 1]" 2 219 2 13 LEU H 2 14 GLY H 3.102 . 3.354 2.365 2.263 2.465 . 0 0 "[ . 1]" 2 220 2 13 LEU H 2 13 LEU HA 2.730 . 3.146 2.879 2.852 2.898 . 0 0 "[ . 1]" 2 221 2 13 LEU H 2 13 LEU HB3 2.678 . 3.561 3.267 3.017 3.424 . 0 0 "[ . 1]" 2 222 2 14 GLY H 2 15 GLY H 2.547 . 3.215 2.639 2.489 2.825 . 0 0 "[ . 1]" 2 223 2 14 GLY H 2 16 ASN H 2.874 . 3.907 3.827 3.671 3.932 0.025 2 0 "[ . 1]" 2 224 2 12 ALA HA 2 14 GLY H 3.077 . 4.261 4.284 4.239 4.332 0.071 1 0 "[ . 1]" 2 225 2 15 GLY H 2 16 ASN H 2.319 . 2.979 1.827 1.653 2.091 . 0 0 "[ . 1]" 2 226 2 12 ALA HA 2 16 ASN H 3.300 . 5.000 2.737 2.551 2.863 . 0 0 "[ . 1]" 2 227 2 16 ASN H 2 17 SER HA 2.998 . 4.122 4.298 4.193 4.372 0.250 6 0 "[ . 1]" 2 228 2 16 ASN H 2 16 ASN HA 2.709 . 3.626 2.938 2.888 2.956 . 0 0 "[ . 1]" 2 229 2 16 ASN HA 2 17 SER H 2.159 . 2.742 2.169 2.115 2.223 . 0 0 "[ . 1]" 2 230 2 17 SER H 2 18 SER H . . 2.640 2.849 2.812 2.878 0.238 10 0 "[ . 1]" 2 231 2 16 ASN H 2 17 SER H 2.900 . 3.951 3.903 3.784 3.982 0.031 3 0 "[ . 1]" 2 232 2 17 SER H 2 17 SER HA 2.400 . 2.874 2.868 2.855 2.886 0.012 3 0 "[ . 1]" 2 233 2 18 SER H 2 19 PRO HD3 3.300 . 5.000 2.299 2.197 2.376 . 0 0 "[ . 1]" 2 234 2 18 SER H 2 18 SER HA 2.260 . 2.899 2.806 2.777 2.832 . 0 0 "[ . 1]" 2 235 2 17 SER HA 2 18 SER H 3.300 . 5.000 2.837 2.782 2.909 . 0 0 "[ . 1]" 2 236 2 20 SER H 2 24 ILE H 3.300 . 5.000 3.930 3.592 4.093 . 0 0 "[ . 1]" 2 237 2 20 SER H 2 23 ASP HB2 2.846 . 3.858 2.094 1.950 2.466 . 0 0 "[ . 1]" 2 238 2 16 ASN HD21 2 20 SER H 2.982 . 4.094 3.642 3.237 4.135 0.041 2 0 "[ . 1]" 2 239 2 20 SER H 2 20 SER HA 2.926 . 3.996 2.925 2.889 2.942 . 0 0 "[ . 1]" 2 240 2 20 SER H 2 23 ASP H 3.096 . 4.294 3.160 3.072 3.319 . 0 0 "[ . 1]" 2 241 2 20 SER HB3 2 21 ALA H 2.558 . 3.223 2.886 1.933 3.525 0.302 9 0 "[ . 1]" 2 242 2 21 ALA H 2 21 ALA HA 2.572 . 3.399 2.839 2.826 2.852 . 0 0 "[ . 1]" 2 243 2 21 ALA H 2 24 ILE H 3.300 . 5.000 4.614 4.524 4.722 . 0 0 "[ . 1]" 2 244 2 20 SER HA 2 21 ALA H 2.372 . 3.075 2.692 2.626 2.765 . 0 0 "[ . 1]" 2 245 2 21 ALA H 2 22 LYS HB2 2.920 . 3.986 4.222 4.170 4.278 0.292 4 0 "[ . 1]" 2 246 2 21 ALA H 2 22 LYS H 2.648 . 3.297 2.432 2.371 2.514 . 0 0 "[ . 1]" 2 247 2 22 LYS H 2 24 ILE H 3.300 . 5.000 4.073 3.957 4.191 . 0 0 "[ . 1]" 2 248 2 22 LYS H 2 23 ASP H 2.370 . 3.072 2.588 2.415 2.718 . 0 0 "[ . 1]" 2 249 2 20 SER HA 2 22 LYS H 3.300 . 5.000 4.574 4.431 4.787 . 0 0 "[ . 1]" 2 250 2 22 LYS H 2 22 LYS HA 2.319 . 2.991 2.800 2.768 2.836 . 0 0 "[ . 1]" 2 251 2 22 LYS H 2 25 LYS H 3.361 . 4.773 4.582 4.507 4.637 . 0 0 "[ . 1]" 2 252 2 22 LYS H 2 22 LYS HB2 2.074 . 2.612 2.172 2.119 2.210 . 0 0 "[ . 1]" 2 253 2 23 ASP H 2 25 LYS H 3.322 . 4.701 3.923 3.753 4.075 . 0 0 "[ . 1]" 2 254 2 22 LYS HB2 2 23 ASP H 2.325 . 3.001 2.867 2.737 2.972 . 0 0 "[ . 1]" 2 255 2 21 ALA H 2 23 ASP H 2.716 . 3.638 3.786 3.701 3.855 0.217 1 0 "[ . 1]" 2 256 2 23 ASP H 2 23 ASP HA 2.279 . 2.820 2.879 2.860 2.904 0.084 5 0 "[ . 1]" 2 257 2 23 ASP H 2 23 ASP HB2 2.603 . 3.198 2.436 2.246 2.536 . 0 0 "[ . 1]" 2 258 2 20 SER HA 2 23 ASP H 3.076 . 4.259 4.455 4.406 4.527 0.268 4 0 "[ . 1]" 2 259 2 24 ILE H 2 25 LYS H 3.300 . 5.000 2.721 2.663 2.795 . 0 0 "[ . 1]" 2 260 2 23 ASP HA 2 24 ILE H 3.300 . 5.000 3.518 3.502 3.561 . 0 0 "[ . 1]" 2 261 2 22 LYS HA 2 24 ILE H 3.300 . 5.000 4.428 4.306 4.534 . 0 0 "[ . 1]" 2 262 2 24 ILE H 2 24 ILE HG13 3.300 . 5.000 3.511 3.454 3.567 . 0 0 "[ . 1]" 2 263 2 24 ILE H 2 24 ILE HB 3.300 . 5.000 2.709 2.661 2.772 . 0 0 "[ . 1]" 2 264 2 24 ILE H 2 24 ILE MD 3.300 . 5.000 2.813 2.743 2.892 . 0 0 "[ . 1]" 2 265 2 23 ASP HB2 2 24 ILE H 3.300 . 5.000 2.887 2.486 3.632 . 0 0 "[ . 1]" 2 266 2 25 LYS H 2 26 LYS HA 3.300 . 5.000 5.222 5.142 5.257 0.257 8 0 "[ . 1]" 2 267 2 25 LYS H 2 26 LYS H 2.493 . 3.270 2.683 2.576 2.731 . 0 0 "[ . 1]" 2 268 2 25 LYS H 2 25 LYS QD 3.300 . 5.000 3.611 3.433 4.129 . 0 0 "[ . 1]" 2 269 2 25 LYS H 2 25 LYS HA 2.429 . 3.167 2.794 2.790 2.802 . 0 0 "[ . 1]" 2 270 2 26 LYS H 2 26 LYS QE 3.427 . 4.895 4.465 3.882 4.731 . 0 0 "[ . 1]" 2 271 2 26 LYS H 2 26 LYS QB 2.037 . 2.401 2.224 1.961 2.443 0.042 3 0 "[ . 1]" 2 272 2 26 LYS H 2 27 ILE H 3.300 . 5.000 2.902 2.609 3.083 . 0 0 "[ . 1]" 2 273 2 23 ASP HA 2 26 LYS H 2.970 . 4.073 3.333 3.201 3.480 . 0 0 "[ . 1]" 2 274 2 26 LYS H 2 26 LYS HA 2.398 . 3.117 2.727 2.629 2.815 . 0 0 "[ . 1]" 2 275 2 26 LYS HA 2 27 ILE H 3.300 . 5.000 3.529 3.489 3.583 . 0 0 "[ . 1]" 2 276 2 27 ILE H 2 27 ILE HB 3.300 . 5.000 2.273 2.233 2.314 . 0 0 "[ . 1]" 2 277 2 25 LYS HA 2 27 ILE H 3.300 . 5.000 4.646 4.504 4.724 . 0 0 "[ . 1]" 2 278 2 27 ILE H 2 28 LEU H 3.300 . 5.000 2.832 2.744 2.889 . 0 0 "[ . 1]" 2 279 2 26 LYS QB 2 27 ILE H 3.300 . 5.000 2.243 1.987 2.856 . 0 0 "[ . 1]" 2 280 2 24 ILE HA 2 28 LEU H 3.300 . 5.000 4.105 4.039 4.163 . 0 0 "[ . 1]" 2 281 2 28 LEU H 2 29 ASP H 3.300 . 5.000 2.478 2.436 2.515 . 0 0 "[ . 1]" 2 282 2 27 ILE HB 2 28 LEU H 3.300 . 5.000 2.886 2.765 3.018 . 0 0 "[ . 1]" 2 283 2 28 LEU H 2 30 SER H 3.300 . 5.000 4.064 3.844 4.172 . 0 0 "[ . 1]" 2 284 2 28 LEU H 2 28 LEU HG 2.500 . 2.800 1.777 1.702 1.863 . 0 0 "[ . 1]" 2 285 2 26 LYS HA 2 29 ASP H 2.761 . 3.702 3.658 3.344 3.765 0.063 1 0 "[ . 1]" 2 286 2 29 ASP H 2 30 SER H 2.612 . 3.433 2.514 2.449 2.555 . 0 0 "[ . 1]" 2 287 2 29 ASP H 2 29 ASP HA 2.563 . 3.020 2.850 2.830 2.865 . 0 0 "[ . 1]" 2 288 2 27 ILE H 2 29 ASP H 3.300 . 5.000 4.084 4.010 4.208 . 0 0 "[ . 1]" 2 289 2 28 LEU HA 2 29 ASP H 3.300 . 5.000 3.486 3.437 3.557 . 0 0 "[ . 1]" 2 290 2 30 SER H 2 30 SER HA 2.313 . 2.982 2.780 2.757 2.801 . 0 0 "[ . 1]" 2 291 2 27 ILE HA 2 30 SER H 3.300 . 5.000 3.865 3.734 3.993 . 0 0 "[ . 1]" 2 292 2 29 ASP HA 2 30 SER H 2.907 . 3.963 3.486 3.436 3.510 . 0 0 "[ . 1]" 2 293 2 30 SER H 2 30 SER QB 2.323 . 2.998 2.357 2.197 2.439 . 0 0 "[ . 1]" 2 294 2 30 SER H 2 31 VAL H 3.300 . 5.000 2.824 2.714 2.904 . 0 0 "[ . 1]" 2 295 2 30 SER HA 2 31 VAL H 3.300 . 5.000 3.542 3.514 3.569 . 0 0 "[ . 1]" 2 296 2 31 VAL H 2 33 ILE HB 3.300 . 5.000 4.836 4.721 4.929 . 0 0 "[ . 1]" 2 297 2 29 ASP HA 2 31 VAL H 3.300 . 5.000 4.063 3.837 4.275 . 0 0 "[ . 1]" 2 298 2 31 VAL H 2 32 GLY H 3.300 . 5.000 2.226 2.057 2.319 . 0 0 "[ . 1]" 2 299 2 31 VAL H 2 31 VAL MG2 3.300 . 5.000 1.885 1.805 1.940 . 0 0 "[ . 1]" 2 300 2 29 ASP H 2 31 VAL H 3.300 . 5.000 4.306 4.145 4.432 . 0 0 "[ . 1]" 2 301 2 30 SER QB 2 31 VAL H 3.300 . 5.000 3.234 2.549 3.591 . 0 0 "[ . 1]" 2 302 2 31 VAL H 2 31 VAL HB 3.300 . 5.000 3.672 3.639 3.701 . 0 0 "[ . 1]" 2 303 2 29 ASP HA 2 32 GLY H 2.599 . 3.443 2.951 2.772 3.113 . 0 0 "[ . 1]" 2 304 2 31 VAL HA 2 32 GLY H 3.300 . 5.000 3.348 3.202 3.508 . 0 0 "[ . 1]" 2 305 2 31 VAL HB 2 32 GLY H 3.300 . 5.000 4.047 3.680 4.258 . 0 0 "[ . 1]" 2 306 2 31 VAL MG2 2 32 GLY H 3.300 . 5.000 2.792 2.218 3.189 . 0 0 "[ . 1]" 2 307 2 32 GLY H 2 33 ILE HB 3.300 . 5.000 4.455 3.966 4.804 . 0 0 "[ . 1]" 2 308 2 31 VAL H 2 33 ILE H 3.300 . 5.000 3.680 3.465 3.817 . 0 0 "[ . 1]" 2 309 2 29 ASP HA 2 33 ILE H 3.300 . 5.000 3.188 2.733 3.617 . 0 0 "[ . 1]" 2 310 2 33 ILE H 2 33 ILE HB 3.300 . 5.000 2.417 2.287 2.526 . 0 0 "[ . 1]" 2 311 2 33 ILE H 2 34 GLU H 3.300 . 5.000 4.505 4.433 4.578 . 0 0 "[ . 1]" 2 312 2 34 GLU H 2 34 GLU HB2 2.188 . 2.659 2.421 2.352 2.478 . 0 0 "[ . 1]" 2 313 2 34 GLU H 2 35 ALA H 3.300 . 5.000 4.539 4.493 4.584 . 0 0 "[ . 1]" 2 314 2 33 ILE HB 2 34 GLU H 3.300 . 5.000 4.260 4.155 4.403 . 0 0 "[ . 1]" 2 315 2 33 ILE HA 2 34 GLU H 3.300 . 5.000 2.204 2.142 2.266 . 0 0 "[ . 1]" 2 316 2 35 ALA H 2 35 ALA HA 2.975 . 4.081 2.927 2.905 2.939 . 0 0 "[ . 1]" 2 317 2 34 GLU HA 2 35 ALA H 2.100 . 2.374 2.166 2.088 2.286 . 0 0 "[ . 1]" 2 318 2 36 ASP H 2 36 ASP HA 2.784 . 3.753 2.916 2.883 2.937 . 0 0 "[ . 1]" 2 319 2 36 ASP H 2 37 ASP H 3.324 . 4.705 4.519 4.485 4.551 . 0 0 "[ . 1]" 2 320 2 35 ALA HA 2 36 ASP H 2.594 . 3.435 2.229 2.180 2.286 . 0 0 "[ . 1]" 2 321 2 37 ASP H 2 38 ASP HA 3.300 . 5.000 5.068 5.045 5.085 0.085 1 0 "[ . 1]" 2 322 2 37 ASP H 2 37 ASP HA 2.530 . 3.117 2.852 2.840 2.869 . 0 0 "[ . 1]" 2 323 2 37 ASP H 2 38 ASP H 2.427 . 3.141 2.538 2.476 2.603 . 0 0 "[ . 1]" 2 324 2 36 ASP HA 2 37 ASP H 2.800 2.226 3.374 2.186 2.155 2.209 0.071 9 0 "[ . 1]" 2 325 2 36 ASP HA 2 38 ASP H 2.917 . 3.981 3.832 3.603 3.936 . 0 0 "[ . 1]" 2 326 2 37 ASP HA 2 38 ASP H 2.665 . 3.553 3.306 3.229 3.370 . 0 0 "[ . 1]" 2 327 2 38 ASP H 2 39 ARG H 2.177 . 2.769 2.077 1.980 2.155 . 0 0 "[ . 1]" 2 328 2 38 ASP H 2 39 ARG HG2 2.618 . 3.475 3.489 3.169 3.568 0.093 4 0 "[ . 1]" 2 329 2 38 ASP H 2 38 ASP HA 2.279 . 2.725 2.888 2.882 2.901 0.176 10 0 "[ . 1]" 2 330 2 37 ASP H 2 39 ARG H 3.311 . 4.681 4.026 3.934 4.175 . 0 0 "[ . 1]" 2 331 2 38 ASP HA 2 39 ARG H 2.717 . 3.462 3.447 3.425 3.486 0.024 9 0 "[ . 1]" 2 332 2 39 ARG H 2 39 ARG HD3 3.300 . 5.000 3.914 3.694 4.054 . 0 0 "[ . 1]" 2 333 2 39 ARG H 2 39 ARG HA 2.506 . 3.234 2.825 2.816 2.844 . 0 0 "[ . 1]" 2 334 2 39 ARG HA 2 40 LEU H 2.834 . 3.384 3.507 3.499 3.513 0.129 7 0 "[ . 1]" 2 335 2 39 ARG H 2 40 LEU H 2.642 . 3.515 2.535 2.455 2.628 . 0 0 "[ . 1]" 2 336 2 37 ASP HA 2 40 LEU H 2.800 . 3.780 3.827 3.777 3.871 0.091 5 0 "[ . 1]" 2 337 2 38 ASP HA 2 40 LEU H 3.339 . 4.733 4.473 4.387 4.619 . 0 0 "[ . 1]" 2 338 2 40 LEU H 2 40 LEU HA 2.823 . 3.643 2.855 2.833 2.872 . 0 0 "[ . 1]" 2 339 2 41 ASN H 2 41 ASN HA 2.558 . 2.847 2.851 2.823 2.896 0.049 6 0 "[ . 1]" 2 340 2 40 LEU HA 2 41 ASN H 3.086 . 4.276 3.495 3.460 3.526 . 0 0 "[ . 1]" 2 341 2 37 ASP HA 2 41 ASN H 2.999 . 4.124 4.138 4.081 4.201 0.077 6 0 "[ . 1]" 2 342 2 41 ASN H 2 42 LYS H 3.300 . 5.000 2.418 2.308 2.497 . 0 0 "[ . 1]" 2 343 2 40 LEU HG 2 41 ASN H 2.812 . 3.800 3.568 3.476 3.652 . 0 0 "[ . 1]" 2 344 2 41 ASN H 2 43 VAL H 3.043 . 4.200 4.138 3.909 4.271 0.071 5 0 "[ . 1]" 2 345 2 42 LYS H 2 43 VAL H 2.252 . 2.886 2.516 2.346 2.659 . 0 0 "[ . 1]" 2 346 2 40 LEU HA 2 43 VAL H 3.039 . 4.193 3.107 2.903 3.308 . 0 0 "[ . 1]" 2 347 2 41 ASN HA 2 43 VAL H 3.300 . 5.000 4.585 4.385 4.764 . 0 0 "[ . 1]" 2 348 2 43 VAL H 2 43 VAL HB 2.448 . 3.197 2.473 2.376 2.528 . 0 0 "[ . 1]" 2 349 2 43 VAL H 2 43 VAL HA 2.798 . 3.224 2.821 2.796 2.861 . 0 0 "[ . 1]" 2 350 2 43 VAL H 2 44 ILE H 2.363 . 3.061 2.676 2.570 2.755 . 0 0 "[ . 1]" 2 351 2 44 ILE H 2 44 ILE HB 2.503 . 3.285 2.469 2.161 2.689 . 0 0 "[ . 1]" 2 352 2 8 TYR HE2 2 44 ILE H 3.373 . 4.795 4.895 4.858 4.949 0.154 6 0 "[ . 1]" 2 353 2 44 ILE H 2 44 ILE HA 2.795 . 3.429 2.744 2.707 2.776 . 0 0 "[ . 1]" 2 354 2 40 LEU HA 2 44 ILE H 3.385 . 4.817 3.791 3.684 3.874 . 0 0 "[ . 1]" 2 355 2 44 ILE H 2 47 LEU HG 3.300 . 5.000 4.681 4.417 5.022 0.022 3 0 "[ . 1]" 2 356 2 45 SER H 2 45 SER HA 2.417 . 2.876 2.750 2.729 2.776 . 0 0 "[ . 1]" 2 357 2 44 ILE HB 2 45 SER H 2.508 . 3.294 2.121 1.886 2.449 . 0 0 "[ . 1]" 2 358 2 44 ILE HA 2 45 SER H 3.083 . 3.397 3.510 3.500 3.522 0.125 5 0 "[ . 1]" 2 359 2 44 ILE H 2 45 SER H 2.480 . 3.249 2.925 2.769 3.075 . 0 0 "[ . 1]" 2 360 2 44 ILE HG13 2 45 SER H 2.981 . 4.092 4.365 4.241 4.469 0.377 8 0 "[ . 1]" 2 361 2 46 GLU H 2 46 GLU HA 2.367 . 3.067 2.871 2.845 2.911 . 0 0 "[ . 1]" 2 362 2 46 GLU H 2 46 GLU HB2 2.340 . 3.024 2.470 2.339 2.585 . 0 0 "[ . 1]" 2 363 2 46 GLU H 2 47 LEU H 2.811 . 3.799 2.494 2.344 2.639 . 0 0 "[ . 1]" 2 364 2 47 LEU H 2 47 LEU HA 2.870 . 3.578 2.867 2.785 2.927 . 0 0 "[ . 1]" 2 365 2 47 LEU H 2 47 LEU HG 2.852 . 3.674 3.122 2.338 3.832 0.158 3 0 "[ . 1]" 2 366 2 48 ASN H 2 48 ASN HA 2.746 . 3.688 2.747 2.683 2.780 . 0 0 "[ . 1]" 2 367 2 47 LEU HA 2 48 ASN H 2.737 . 3.673 3.453 3.388 3.520 . 0 0 "[ . 1]" 2 368 2 45 SER HA 2 48 ASN H 3.060 . 4.230 3.696 3.426 3.890 . 0 0 "[ . 1]" 2 369 2 48 ASN HA 2 49 GLY H 2.820 . 3.814 2.110 2.096 2.120 . 0 0 "[ . 1]" 2 370 2 49 GLY H 2 50 LYS H 2.950 . 3.397 2.248 2.056 2.578 . 0 0 "[ . 1]" 2 371 2 48 ASN H 2 49 GLY H 3.175 . 4.435 4.447 4.367 4.502 0.067 10 0 "[ . 1]" 2 372 2 50 LYS H 2 51 ASN H 3.300 . 5.000 4.444 4.381 4.514 . 0 0 "[ . 1]" 2 373 2 50 LYS H 2 50 LYS HA 2.513 . 3.284 2.937 2.921 2.947 . 0 0 "[ . 1]" 2 374 2 50 LYS HA 2 51 ASN H 2.554 . 3.015 2.422 2.348 2.536 . 0 0 "[ . 1]" 2 375 2 51 ASN H 2 51 ASN HA 2.921 . 3.988 2.935 2.925 2.941 . 0 0 "[ . 1]" 2 376 2 53 GLU H 2 53 GLU QG . . 2.702 2.452 1.986 2.767 0.065 1 0 "[ . 1]" 2 377 2 53 GLU H 2 54 ASP H 2.720 . 3.645 2.848 2.705 3.133 . 0 0 "[ . 1]" 2 378 2 54 ASP H 2 54 ASP HA 2.721 . 3.391 2.851 2.789 2.891 . 0 0 "[ . 1]" 2 379 2 53 GLU HA 2 54 ASP H 3.042 . 3.699 3.537 3.487 3.600 . 0 0 "[ . 1]" 2 380 2 55 VAL H 2 55 VAL HB 2.377 . 3.083 2.678 2.639 2.743 . 0 0 "[ . 1]" 2 381 2 55 VAL H 2 56 ILE H 2.590 . 3.428 2.728 2.661 2.782 . 0 0 "[ . 1]" 2 382 2 55 VAL H 2 55 VAL HA 2.571 . 3.249 2.804 2.782 2.827 . 0 0 "[ . 1]" 2 383 2 54 ASP HA 2 55 VAL H 2.773 . 3.734 3.519 3.499 3.538 . 0 0 "[ . 1]" 2 384 2 56 ILE H 2 56 ILE HB 2.587 . 3.247 2.689 2.474 2.759 . 0 0 "[ . 1]" 2 385 2 56 ILE H 2 58 GLN H 3.300 . 5.000 4.296 4.188 4.386 . 0 0 "[ . 1]" 2 386 2 55 VAL HB 2 56 ILE H 3.069 . 3.618 2.362 2.324 2.415 . 0 0 "[ . 1]" 2 387 2 58 GLN H 2 58 GLN HA 2.735 . 2.883 2.920 2.908 2.931 0.048 1 0 "[ . 1]" 2 388 2 58 GLN HA 2 59 GLY H 3.102 . 4.305 3.268 2.925 3.530 . 0 0 "[ . 1]" 2 389 2 59 GLY H 2 60 ILE HA 3.300 . 5.000 4.512 4.278 5.013 0.013 8 0 "[ . 1]" 2 390 2 59 GLY H 2 60 ILE H 2.909 . 3.967 2.812 2.433 3.362 . 0 0 "[ . 1]" 2 391 2 60 ILE H 2 60 ILE HA 2.647 . 3.523 2.823 2.807 2.847 . 0 0 "[ . 1]" 2 392 2 60 ILE HB 2 61 GLY H 3.260 . 4.589 3.279 3.077 3.457 . 0 0 "[ . 1]" 2 393 2 61 GLY H 2 63 LEU H 2.941 . 4.022 4.025 3.495 4.272 0.250 1 0 "[ . 1]" 2 394 2 65 SER H 2 65 SER HA 2.739 . 3.677 2.632 2.235 2.940 . 0 0 "[ . 1]" 2 395 2 64 ALA HA 2 65 SER H 2.573 . 3.400 3.072 2.576 3.543 0.143 2 0 "[ . 1]" 2 396 2 66 VAL H 2 66 VAL HB 2.285 . 2.899 2.726 2.569 3.167 0.268 9 0 "[ . 1]" 2 397 2 65 SER HA 2 66 VAL H 2.145 . 2.720 2.204 2.094 2.402 . 0 0 "[ . 1]" 2 398 2 67 PRO HA 2 68 ALA H 1.792 . 2.193 2.145 2.097 2.169 . 0 0 "[ . 1]" 2 399 2 68 ALA HA 2 69 GLY H 2.945 . 4.029 2.720 2.127 3.571 . 0 0 "[ . 1]" 2 400 2 69 GLY H 2 70 GLY H 2.970 . 4.073 3.138 1.922 4.211 0.138 7 0 "[ . 1]" 2 401 1 4 VAL HA 1 4 VAL HB 2.334 . 3.015 2.956 2.945 2.966 . 0 0 "[ . 1]" 2 402 1 3 SER HB3 1 4 VAL HB 3.300 . 5.000 4.959 4.548 5.810 0.810 5 2 "[ + -]" 2 403 1 6 GLU HA 1 43 TRP HD1 2.672 . 3.564 3.353 3.140 3.564 . 0 0 "[ . 1]" 2 404 1 8 ALA HA 1 11 TYR HD2 2.843 . 3.853 2.181 2.116 2.328 . 0 0 "[ . 1]" 2 405 1 7 LEU HA 1 10 ILE HB 2.388 . 3.101 2.396 2.343 2.447 . 0 0 "[ . 1]" 2 406 1 11 TYR HA 1 11 TYR HD1 2.473 . 3.076 1.964 1.892 2.001 . 0 0 "[ . 1]" 2 407 1 11 TYR HA 1 14 LEU HG 2.424 . 3.158 3.343 3.329 3.362 0.204 4 0 "[ . 1]" 2 408 1 14 LEU HA 1 14 LEU HG 2.468 . 3.229 3.474 3.466 3.484 0.255 10 0 "[ . 1]" 2 409 1 11 TYR HD1 1 14 LEU HG 2.576 . 3.316 3.122 3.031 3.209 . 0 0 "[ . 1]" 2 410 1 15 ILE HA 2 33 ILE HB 5.000 . 6.000 6.184 6.115 6.252 0.252 7 0 "[ . 1]" 2 411 1 17 HIS HA 1 20 GLU HA 2.681 . 3.579 2.300 2.161 2.465 . 0 0 "[ . 1]" 2 412 1 17 HIS HA 1 17 HIS HD2 3.300 . 5.000 4.742 4.524 4.894 . 0 0 "[ . 1]" 2 413 1 21 VAL HA 1 21 VAL HB 2.382 . 3.091 2.426 2.372 2.468 . 0 0 "[ . 1]" 2 414 1 20 GLU HA 1 21 VAL HB 3.300 . 5.000 5.039 4.992 5.088 0.088 5 0 "[ . 1]" 2 415 1 22 THR HA 1 23 VAL HA 3.300 . 5.000 4.310 4.292 4.346 . 0 0 "[ . 1]" 2 416 1 22 THR HA 1 22 THR HB . . 2.363 2.473 2.427 2.509 0.146 6 0 "[ . 1]" 2 417 1 23 VAL HA 1 23 VAL HB 2.737 . 3.427 3.014 3.011 3.020 . 0 0 "[ . 1]" 2 418 1 12 SER HA 1 28 ILE HA 5.000 . 5.500 4.600 4.398 4.809 . 0 0 "[ . 1]" 2 419 1 28 ILE HA 1 31 LEU HB3 5.000 . 5.500 4.510 4.389 4.801 . 0 0 "[ . 1]" 2 420 1 29 ASN HA 1 32 ILE HB 5.000 . 5.500 2.158 1.859 2.505 . 0 0 "[ . 1]" 2 421 1 30 ALA HA 1 33 LYS HB2 5.000 . 5.500 3.518 2.914 4.096 . 0 0 "[ . 1]" 2 422 1 37 VAL HA 1 37 VAL HB 2.621 . 3.386 2.376 2.364 2.401 . 0 0 "[ . 1]" 2 423 1 39 VAL HA 1 39 VAL HB 2.202 . 2.740 2.966 2.963 2.969 0.229 7 0 "[ . 1]" 2 424 1 43 TRP HA 1 43 TRP HD1 3.300 . 5.000 4.444 4.408 4.480 . 0 0 "[ . 1]" 2 425 1 46 LEU HA 1 46 LEU HB2 2.249 . 2.881 2.274 2.254 2.302 . 0 0 "[ . 1]" 2 426 1 49 LYS HA 1 49 LYS HG2 1.978 . 2.467 2.387 2.263 2.472 0.005 9 0 "[ . 1]" 2 427 1 54 VAL HA 1 54 VAL HB 2.265 . 2.906 2.376 2.361 2.403 . 0 0 "[ . 1]" 2 428 1 56 ILE HA 1 56 ILE HB 2.557 . 3.283 2.543 2.504 2.602 . 0 0 "[ . 1]" 2 429 1 56 ILE HA 1 56 ILE HG13 2.681 . 3.296 2.556 2.486 2.625 . 0 0 "[ . 1]" 2 430 1 59 LEU HA 1 59 LEU HG 2.800 . 3.322 3.323 3.304 3.331 0.009 1 0 "[ . 1]" 2 431 1 59 LEU HB2 1 60 ILE HB 3.300 . 5.000 4.312 4.214 4.414 . 0 0 "[ . 1]" 2 432 1 56 ILE HA 1 59 LEU HG 2.764 . 3.657 2.005 1.928 2.078 . 0 0 "[ . 1]" 2 433 1 60 ILE HA 1 60 ILE HB 2.378 . 3.042 2.890 2.876 2.919 . 0 0 "[ . 1]" 2 434 1 60 ILE HA 1 60 ILE HG13 2.416 . 3.128 2.112 2.080 2.171 . 0 0 "[ . 1]" 2 435 1 63 VAL HA 1 63 VAL HB 2.059 . 2.453 2.483 2.435 2.505 0.052 5 0 "[ . 1]" 2 436 1 11 TYR HE2 2 13 LEU HG 2.923 . 3.991 4.031 3.982 4.078 0.087 6 0 "[ . 1]" 2 437 1 43 TRP H 1 43 TRP HD1 2.915 . 3.679 3.565 3.471 3.671 . 0 0 "[ . 1]" 2 438 1 42 PHE HZ 1 43 TRP HH2 3.057 . 3.985 3.951 3.822 4.002 0.017 10 0 "[ . 1]" 2 439 2 5 VAL HA 2 5 VAL HB 2.724 . 3.485 2.976 2.533 3.032 . 0 0 "[ . 1]" 2 440 2 6 ALA HA 2 9 LEU HB2 2.616 . 3.066 2.430 2.330 2.535 . 0 0 "[ . 1]" 2 441 2 9 LEU HA 2 9 LEU HG 2.736 . 3.672 3.187 3.102 3.278 . 0 0 "[ . 1]" 2 442 2 9 LEU HA 2 9 LEU MD1 . . 2.334 1.864 1.803 1.919 0.021 3 0 "[ . 1]" 2 443 2 8 TYR HD1 2 9 LEU HA 2.706 . 3.621 3.052 2.926 3.182 . 0 0 "[ . 1]" 2 444 1 11 TYR HD2 2 10 LEU HA 2.464 . 3.223 2.574 2.401 2.698 . 0 0 "[ . 1]" 2 445 2 21 ALA HA 2 24 ILE HB 3.300 . 5.000 2.873 2.685 3.066 . 0 0 "[ . 1]" 2 446 2 23 ASP HA 2 26 LYS QB 2.374 . 3.078 2.582 2.176 3.074 . 0 0 "[ . 1]" 2 447 2 8 TYR HD2 2 24 ILE MD 2.800 . 3.100 2.467 2.288 2.574 . 0 0 "[ . 1]" 2 448 2 25 LYS HA 2 28 LEU HB2 3.300 . 5.000 4.821 4.625 4.991 . 0 0 "[ . 1]" 2 449 2 25 LYS HA 2 25 LYS QD 2.175 . 2.766 1.801 1.418 2.040 0.297 6 0 "[ . 1]" 2 450 2 26 LYS HA 2 26 LYS QB . . 2.265 2.340 2.175 2.410 0.145 4 0 "[ . 1]" 2 451 2 33 ILE HA 2 33 ILE QG 1.500 . 1.800 2.058 2.018 2.091 0.291 3 0 "[ . 1]" 2 452 2 28 LEU HB3 2 33 ILE HB 3.300 . 5.000 3.046 2.742 3.429 . 0 0 "[ . 1]" 2 453 2 37 ASP HA 2 40 LEU HG 2.500 . 3.281 3.157 3.007 3.305 0.024 3 0 "[ . 1]" 2 454 2 39 ARG HA 2 39 ARG HG2 . . 2.696 2.814 2.771 2.879 0.183 6 0 "[ . 1]" 2 455 2 4 TYR HE2 2 39 ARG HD2 3.300 . 5.000 3.721 3.423 4.223 . 0 0 "[ . 1]" 2 456 2 4 TYR HE2 2 39 ARG HG3 3.300 . 5.000 3.325 3.243 3.408 . 0 0 "[ . 1]" 2 457 2 40 LEU HA 2 43 VAL HB 2.583 . 3.417 3.376 3.218 3.469 0.052 8 0 "[ . 1]" 2 458 2 41 ASN HA 2 44 ILE HB 2.275 . 2.922 2.548 2.450 2.640 . 0 0 "[ . 1]" 2 459 2 43 VAL HA 2 43 VAL HB 2.364 . 3.062 2.502 2.470 2.535 . 0 0 "[ . 1]" 2 460 2 44 ILE HA 2 47 LEU HG 2.687 . 3.399 3.511 3.453 3.580 0.181 6 0 "[ . 1]" 2 461 2 44 ILE HA 2 44 ILE HB 2.554 . 3.369 3.009 2.967 3.040 . 0 0 "[ . 1]" 2 462 2 8 TYR HE2 2 44 ILE HA 2.459 . 3.215 2.322 2.168 2.527 . 0 0 "[ . 1]" 2 463 2 47 LEU HA 2 47 LEU HG 3.300 . 3.546 3.622 3.569 3.673 0.127 6 0 "[ . 1]" 2 464 2 52 ILE HA 2 52 ILE HG13 2.398 . 3.075 2.268 2.243 2.290 . 0 0 "[ . 1]" 2 465 2 52 ILE HA 2 52 ILE HB 2.424 . 2.888 2.946 2.941 2.949 0.061 10 0 "[ . 1]" 2 466 2 8 TYR HE1 2 52 ILE MD 2.155 . 2.736 1.607 1.520 1.805 0.107 7 0 "[ . 1]" 2 467 2 55 VAL HA 2 55 VAL HB 2.675 . 3.191 3.042 3.039 3.046 . 0 0 "[ . 1]" 2 468 2 52 ILE HA 2 55 VAL HB 3.300 . 5.000 2.890 2.795 2.987 . 0 0 "[ . 1]" 2 469 2 56 ILE HA 2 56 ILE HB 2.500 . 3.281 3.020 3.011 3.025 . 0 0 "[ . 1]" 2 470 2 56 ILE HA 2 56 ILE HG13 2.450 . 3.109 2.543 2.362 2.603 . 0 0 "[ . 1]" 2 471 2 53 GLU HA 2 56 ILE HB 2.540 . 3.347 3.508 3.434 3.577 0.230 3 0 "[ . 1]" 2 472 2 56 ILE HB 2 56 ILE MD 1.955 . 2.396 2.263 2.229 2.299 . 0 0 "[ . 1]" 2 473 2 60 ILE HA 2 60 ILE HB 2.306 . 2.949 2.995 2.985 3.001 0.052 2 0 "[ . 1]" 2 474 2 60 ILE HA 2 60 ILE HG13 2.505 . 3.096 2.350 2.311 2.381 . 0 0 "[ . 1]" 2 475 2 63 LEU HA 2 63 LEU HG 2.291 . 2.947 2.402 2.233 2.574 . 0 0 "[ . 1]" 2 476 2 66 VAL HA 2 66 VAL HB 2.347 . 2.719 2.916 2.450 2.987 0.268 2 0 "[ . 1]" 2 477 1 11 TYR HA 1 14 LEU HB2 2.568 . 3.392 1.722 1.679 1.787 0.065 3 0 "[ . 1]" 2 478 1 16 LEU HA 1 21 VAL HB 3.300 . 5.000 5.015 4.882 5.080 0.080 6 0 "[ . 1]" 2 479 1 25 GLU HA 1 28 ILE HB 5.000 . 5.500 2.935 2.740 3.211 . 0 0 "[ . 1]" 2 480 1 27 LYS HA 1 27 LYS HE2 2.645 . 3.520 3.287 2.852 4.288 0.768 2 1 "[ + . 1]" 2 481 1 27 LYS HA 1 27 LYS HD3 2.438 . 3.181 2.453 2.048 4.162 0.981 6 1 "[ .+ 1]" 2 482 1 5 SER HA 1 39 VAL HA 2.481 . 3.251 2.619 2.412 2.810 . 0 0 "[ . 1]" 2 483 1 5 SER HA 1 39 VAL HB 3.300 . 5.000 5.045 4.972 5.111 0.111 9 0 "[ . 1]" 2 484 1 28 ILE HG13 1 44 PRO HA 5.000 . 5.500 4.778 4.415 5.090 . 0 0 "[ . 1]" 2 485 1 46 LEU HA 1 46 LEU HG 2.586 . 3.422 3.443 3.424 3.463 0.041 8 0 "[ . 1]" 2 486 1 23 VAL HB 1 52 ALA HA 5.000 . 5.500 4.394 3.536 5.026 . 0 0 "[ . 1]" 2 487 1 43 TRP HA 1 46 LEU HB3 2.699 . 3.610 2.738 2.635 2.943 . 0 0 "[ . 1]" 2 488 2 6 ALA HA 2 9 LEU MD2 2.457 . 3.212 1.776 1.662 1.913 0.075 9 0 "[ . 1]" 2 489 2 12 ALA HA 2 17 SER HA 2.597 . 3.061 2.246 2.011 2.637 . 0 0 "[ . 1]" 2 490 2 17 SER HA 2 19 PRO HD3 2.594 . 3.435 3.332 3.248 3.408 . 0 0 "[ . 1]" 2 491 2 21 ALA HA 2 24 ILE HG13 2.800 . 3.100 2.828 2.571 3.092 . 0 0 "[ . 1]" 2 492 2 24 ILE HA 2 27 ILE HB 3.300 . 5.000 2.822 2.753 2.949 . 0 0 "[ . 1]" 2 493 2 28 LEU HA 2 28 LEU HG 3.300 . 5.000 3.619 3.579 3.649 . 0 0 "[ . 1]" 2 494 2 25 LYS QD 2 28 LEU HG 3.300 . 5.000 3.583 2.853 3.796 . 0 0 "[ . 1]" 2 495 2 33 ILE HA 2 33 ILE HG12 1.600 . 1.900 2.177 2.074 2.739 0.839 9 1 "[ . +1]" 2 496 2 50 LYS HA 2 50 LYS HD3 2.220 . 2.836 2.251 1.986 2.413 . 0 0 "[ . 1]" 2 497 1 2 ALA HA 1 3 SER H 2.172 . 2.762 2.335 2.176 2.683 . 0 0 "[ . 1]" 2 498 1 3 SER HA 1 4 VAL HB 2.959 . 4.054 4.202 4.163 4.242 0.188 4 0 "[ . 1]" 2 499 1 4 VAL HA 1 7 LEU H 2.922 . 3.989 3.444 3.344 3.604 . 0 0 "[ . 1]" 2 500 1 7 LEU HA 1 11 TYR H 3.340 . 4.734 4.175 4.095 4.225 . 0 0 "[ . 1]" 2 501 1 9 CYS H 1 10 ILE HA 3.300 . 5.000 5.069 5.045 5.085 0.085 4 0 "[ . 1]" 2 502 1 10 ILE HA 1 11 TYR H 3.008 . 4.139 3.554 3.543 3.562 . 0 0 "[ . 1]" 2 503 1 10 ILE H 1 10 ILE HA 2.680 . 3.578 2.729 2.718 2.746 . 0 0 "[ . 1]" 2 504 1 10 ILE H 1 10 ILE HB 2.604 . 3.452 2.501 2.453 2.528 . 0 0 "[ . 1]" 2 505 1 10 ILE HA 1 10 ILE HB 2.514 . 3.304 3.023 3.017 3.028 . 0 0 "[ . 1]" 2 506 1 13 ALA H 1 13 ALA HA 2.593 . 3.433 2.824 2.801 2.837 . 0 0 "[ . 1]" 2 507 1 13 ALA HA 1 16 LEU H 2.934 . 4.010 3.558 3.459 3.703 . 0 0 "[ . 1]" 2 508 1 14 LEU HA 1 15 ILE H 2.978 . 4.087 3.605 3.596 3.614 . 0 0 "[ . 1]" 2 509 1 14 LEU H 1 14 LEU HG 3.300 . 5.000 4.304 4.268 4.332 . 0 0 "[ . 1]" 2 510 1 15 ILE HA 2 4 TYR HA 3.300 . 5.000 5.103 4.994 5.201 0.201 3 0 "[ . 1]" 2 511 1 15 ILE HA 1 15 ILE HB 2.545 . 3.355 2.847 2.823 2.870 . 0 0 "[ . 1]" 2 512 1 15 ILE H 1 15 ILE HA 2.866 . 3.892 2.817 2.795 2.842 . 0 0 "[ . 1]" 2 513 1 15 ILE HA 1 18 ASP HB2 3.074 . 4.255 2.584 2.227 3.014 . 0 0 "[ . 1]" 2 514 1 14 LEU HA 1 15 ILE HA 3.300 . 5.000 4.831 4.783 4.854 . 0 0 "[ . 1]" 2 515 1 16 LEU HA 1 16 LEU HG 2.704 . 3.618 2.928 2.889 2.949 . 0 0 "[ . 1]" 2 516 1 18 ASP HB3 1 19 ASP H 3.328 . 4.713 2.589 2.335 2.947 . 0 0 "[ . 1]" 2 517 1 22 THR H 1 22 THR HA 2.533 . 3.335 2.734 2.662 2.770 . 0 0 "[ . 1]" 2 518 1 22 THR HA 1 23 VAL HB 3.300 . 4.282 4.432 4.406 4.458 0.176 5 0 "[ . 1]" 2 519 1 22 THR HA 1 23 VAL H 2.201 . 2.806 2.090 2.049 2.138 . 0 0 "[ . 1]" 2 520 1 23 VAL H 1 23 VAL HB 2.467 . 3.228 2.510 2.453 2.600 . 0 0 "[ . 1]" 2 521 1 25 GLU HA 1 28 ILE H 5.000 . 5.500 3.585 3.391 3.806 . 0 0 "[ . 1]" 2 522 1 26 ASP HA 1 29 ASN H 2.632 . 3.498 3.354 3.099 3.506 0.008 7 0 "[ . 1]" 2 523 1 26 ASP HA 1 30 ALA H 5.000 . 5.500 3.975 3.836 4.109 . 0 0 "[ . 1]" 2 524 1 26 ASP H 1 26 ASP HB2 2.361 . 3.032 2.973 2.481 3.576 0.544 1 4 "[+- *. * 1]" 2 525 1 28 ILE HA 1 29 ASN H 5.000 . 5.500 3.541 3.526 3.549 . 0 0 "[ . 1]" 2 526 1 29 ASN HA 1 30 ALA H 5.000 . 5.500 3.525 3.490 3.550 . 0 0 "[ . 1]" 2 527 1 29 ASN HA 1 31 LEU H 5.000 . 5.500 4.534 4.316 4.675 . 0 0 "[ . 1]" 2 528 1 30 ALA HA 1 31 LEU H 5.000 . 5.500 3.587 3.571 3.593 . 0 0 "[ . 1]" 2 529 1 30 ALA HA 1 33 LYS H 5.000 . 5.500 3.509 3.430 3.683 . 0 0 "[ . 1]" 2 530 1 31 LEU HA 1 34 ALA H 5.000 . 5.500 3.503 3.315 3.638 . 0 0 "[ . 1]" 2 531 1 31 LEU HA 2 27 ILE HA 3.300 . 5.000 4.098 3.923 4.269 . 0 0 "[ . 1]" 2 532 1 29 ASN HA 1 32 ILE HA 5.000 . 5.500 4.953 4.643 5.320 . 0 0 "[ . 1]" 2 533 1 12 SER H 1 32 ILE HG13 5.000 . 5.500 5.482 5.013 5.565 0.065 5 0 "[ . 1]" 2 534 1 33 LYS HA 1 36 GLY H 3.300 . 5.000 3.323 3.173 3.450 . 0 0 "[ . 1]" 2 535 1 33 LYS H 1 33 LYS HA 2.307 . 2.972 2.837 2.819 2.862 . 0 0 "[ . 1]" 2 536 1 33 LYS HA 1 37 VAL H 3.100 . 4.301 4.325 4.227 4.380 0.079 3 0 "[ . 1]" 2 537 1 37 VAL HA 1 38 ASN HA 3.222 . 4.520 4.287 4.267 4.302 . 0 0 "[ . 1]" 2 538 1 36 GLY H 1 37 VAL HB 3.300 . 5.000 5.003 4.903 5.039 0.039 4 0 "[ . 1]" 2 539 1 38 ASN HA 1 39 VAL HB 2.968 . 4.069 4.222 4.157 4.275 0.206 1 0 "[ . 1]" 2 540 1 41 PRO HA 1 43 TRP H 2.935 . 4.012 3.855 3.817 3.872 . 0 0 "[ . 1]" 2 541 1 39 VAL H 1 41 PRO HA 3.300 . 5.000 5.080 5.002 5.132 0.132 2 0 "[ . 1]" 2 542 1 40 GLU H 1 41 PRO HA 3.300 . 5.000 5.190 5.161 5.229 0.229 6 0 "[ . 1]" 2 543 1 43 TRP H 1 43 TRP HA 2.683 . 3.583 2.821 2.815 2.826 . 0 0 "[ . 1]" 2 544 1 43 TRP HA 1 46 LEU HG 2.898 . 3.947 4.073 4.044 4.094 0.147 1 0 "[ . 1]" 2 545 1 44 PRO HA 1 45 GLY H 2.816 . 3.808 3.583 3.578 3.592 . 0 0 "[ . 1]" 2 546 1 46 LEU HA 1 47 PHE H 2.974 . 4.080 3.469 3.449 3.500 . 0 0 "[ . 1]" 2 547 1 49 LYS HA 1 50 ALA H 5.000 . 5.500 3.554 3.512 3.570 . 0 0 "[ . 1]" 2 548 1 52 ALA HA 1 54 VAL H 5.000 . 5.500 5.086 4.782 5.216 . 0 0 "[ . 1]" 2 549 1 23 VAL MG1 1 52 ALA HA 5.000 . 5.500 4.708 4.211 5.342 . 0 0 "[ . 1]" 2 550 1 54 VAL HB 1 55 ASN H 2.751 . 3.697 2.086 1.965 2.424 . 0 0 "[ . 1]" 2 551 1 59 LEU H 1 59 LEU HB2 2.513 . 3.077 2.435 2.404 2.462 . 0 0 "[ . 1]" 2 552 1 60 ILE HA 1 61 CYS H 2.639 . 3.510 3.388 3.359 3.447 . 0 0 "[ . 1]" 2 553 1 61 CYS HA 1 62 ASN H 2.666 . 3.555 3.322 3.128 3.472 . 0 0 "[ . 1]" 2 554 1 61 CYS HA 1 62 ASN HA 3.300 . 5.000 4.873 4.686 5.270 0.270 3 0 "[ . 1]" 2 555 1 63 VAL HA 1 64 GLY H 2.182 . 2.777 2.820 2.438 2.977 0.200 5 0 "[ . 1]" 2 556 1 42 PHE HZ 1 43 TRP HZ2 3.144 . 4.379 3.260 3.221 3.283 . 0 0 "[ . 1]" 2 557 1 11 TYR HE1 2 60 ILE HA 3.195 . 4.471 4.049 3.950 4.137 . 0 0 "[ . 1]" 2 558 1 42 PHE HZ 1 43 TRP HD1 3.300 . 5.000 5.001 4.800 5.069 0.069 9 0 "[ . 1]" 2 559 2 5 VAL HA 2 9 LEU H 3.300 . 5.000 4.265 4.122 4.345 . 0 0 "[ . 1]" 2 560 2 5 VAL HB 2 6 ALA HA 2.962 . 4.059 3.925 3.837 4.012 . 0 0 "[ . 1]" 2 561 2 8 TYR H 2 9 LEU HA 3.300 . 5.000 5.189 5.158 5.206 0.206 1 0 "[ . 1]" 2 562 2 10 LEU H 2 10 LEU HA 2.731 . 3.664 2.764 2.753 2.773 . 0 0 "[ . 1]" 2 563 2 12 ALA HA 2 15 GLY H 2.748 . 3.692 3.590 3.355 3.766 0.074 1 0 "[ . 1]" 2 564 2 16 ASN HA 2 17 SER HA 3.300 . 5.000 4.387 4.344 4.428 . 0 0 "[ . 1]" 2 565 2 18 SER H 2 19 PRO HA 3.300 . 5.000 3.872 3.814 3.940 . 0 0 "[ . 1]" 2 566 2 16 ASN HD21 2 19 PRO HA 2.397 . 3.115 2.314 1.850 3.116 0.001 10 0 "[ . 1]" 2 567 2 19 PRO HA 2 20 SER H 2.159 . 2.742 2.308 2.239 2.399 . 0 0 "[ . 1]" 2 568 2 21 ALA HA 2 24 ILE H 3.300 . 5.000 3.306 3.147 3.521 . 0 0 "[ . 1]" 2 569 2 21 ALA HA 2 41 ASN HA 2.576 . 3.406 3.474 3.404 3.562 0.156 1 0 "[ . 1]" 2 570 2 22 LYS HA 2 25 LYS H 2.523 . 3.319 3.295 3.088 3.395 0.076 10 0 "[ . 1]" 2 571 2 25 LYS HA 2 28 LEU H 3.300 . 5.000 3.644 3.477 3.713 . 0 0 "[ . 1]" 2 572 2 27 ILE HA 2 27 ILE HG13 3.300 . 5.000 2.317 2.153 2.434 . 0 0 "[ . 1]" 2 573 2 7 SER HA 2 27 ILE HB 3.300 . 5.000 3.818 3.512 4.126 . 0 0 "[ . 1]" 2 574 2 28 LEU HA 2 30 SER H 3.300 . 5.000 4.015 3.928 4.072 . 0 0 "[ . 1]" 2 575 2 28 LEU HA 2 33 ILE HB 3.300 . 5.000 3.048 2.638 3.387 . 0 0 "[ . 1]" 2 576 2 36 ASP HA 2 37 ASP HA 3.300 . 5.000 4.218 4.177 4.287 . 0 0 "[ . 1]" 2 577 2 38 ASP HA 2 41 ASN HD21 2.743 . 3.684 3.571 3.117 3.780 0.096 10 0 "[ . 1]" 2 578 2 39 ARG H 2 39 ARG HG2 2.190 . 2.789 2.045 1.749 2.151 . 0 0 "[ . 1]" 2 579 2 40 LEU H 2 40 LEU HG 2.782 . 3.750 1.779 1.752 1.812 0.062 10 0 "[ . 1]" 2 580 2 41 ASN HA 2 42 LYS H 2.527 . 3.325 3.430 3.413 3.444 0.119 4 0 "[ . 1]" 2 581 2 42 LYS H 2 42 LYS HA 2.238 . 2.864 2.864 2.839 2.887 0.023 3 0 "[ . 1]" 2 582 2 43 VAL HA 2 46 GLU HB2 2.368 . 3.069 2.602 2.085 3.092 0.023 10 0 "[ . 1]" 2 583 2 43 VAL HB 2 44 ILE H 2.735 . 3.670 3.815 3.750 3.886 0.216 5 0 "[ . 1]" 2 584 2 44 ILE HB 2 45 SER HA 3.200 2.145 4.255 4.191 3.980 4.461 0.206 3 0 "[ . 1]" 2 585 2 46 GLU H 2 46 GLU HG3 2.523 . 2.977 2.869 2.366 3.812 0.835 9 1 "[ . +1]" 2 586 2 51 ASN H 2 52 ILE HA 3.300 . 5.000 4.620 4.466 4.778 . 0 0 "[ . 1]" 2 587 2 51 ASN HA 2 52 ILE HB 3.300 . 5.000 4.357 4.282 4.460 . 0 0 "[ . 1]" 2 588 2 51 ASN H 2 52 ILE HB 5.000 . 6.000 6.166 6.124 6.235 0.235 7 0 "[ . 1]" 2 589 2 51 ASN H 2 52 ILE MD 3.300 . 5.000 4.155 3.980 4.295 . 0 0 "[ . 1]" 2 590 2 52 ILE MG 2 53 GLU H 1.977 . 2.466 2.406 2.232 2.478 0.012 8 0 "[ . 1]" 2 591 2 53 GLU H 2 53 GLU HA 2.539 . 3.345 2.774 2.696 2.807 . 0 0 "[ . 1]" 2 592 2 53 GLU H 2 53 GLU HB2 2.208 . 2.817 2.586 2.212 2.748 . 0 0 "[ . 1]" 2 593 2 56 ILE HA 2 57 ALA HA 3.300 . 5.000 4.446 4.313 4.841 . 0 0 "[ . 1]" 2 594 2 56 ILE HB 2 60 ILE HA 3.300 . 5.000 4.621 4.521 4.848 . 0 0 "[ . 1]" 2 595 2 56 ILE HB 2 58 GLN H 3.300 . 5.000 5.014 4.792 5.086 0.086 10 0 "[ . 1]" 2 596 2 56 ILE H 2 57 ALA HA 3.300 . 5.000 4.894 4.853 4.950 . 0 0 "[ . 1]" 2 597 2 57 ALA HA 2 58 GLN H 2.800 . 5.000 3.203 3.086 3.418 . 0 0 "[ . 1]" 2 598 2 60 ILE H 2 60 ILE HB 2.000 . 2.700 2.334 2.280 2.372 . 0 0 "[ . 1]" 2 599 2 62 LYS H 2 62 LYS HA 2.047 . 2.571 2.624 2.230 2.813 0.242 10 0 "[ . 1]" 2 600 2 62 LYS H 2 62 LYS QD 2.446 . 3.194 2.368 1.885 3.272 0.078 6 0 "[ . 1]" 2 601 2 63 LEU HA 2 64 ALA H 2.900 . 3.200 2.339 2.069 3.055 . 0 0 "[ . 1]" 2 602 2 63 LEU H 2 63 LEU HA 2.307 . 2.972 2.530 2.224 2.710 . 0 0 "[ . 1]" 2 603 2 63 LEU H 2 63 LEU HG 3.200 . 3.500 3.673 3.561 3.762 0.262 3 0 "[ . 1]" 2 604 2 64 ALA H 2 64 ALA HA 2.000 . 2.300 2.301 2.232 2.767 0.467 9 0 "[ . 1]" 2 605 2 66 VAL H 2 66 VAL HA 2.363 . 3.061 2.835 2.217 2.942 . 0 0 "[ . 1]" 2 606 1 10 ILE HB 2 60 ILE HA 5.000 2.500 5.500 5.554 5.519 5.605 0.105 3 0 "[ . 1]" 2 607 1 14 LEU HG 2 60 ILE HA 3.300 . 5.000 5.149 5.092 5.224 0.224 5 0 "[ . 1]" 2 608 1 35 ALA MB 2 11 ALA HA 5.000 . 5.500 2.315 2.190 2.500 . 0 0 "[ . 1]" 2 609 1 11 TYR HE2 2 9 LEU HA 3.303 . 4.667 4.713 4.682 4.755 0.088 7 0 "[ . 1]" 2 610 1 35 ALA HA 2 11 ALA HA 5.000 . 5.500 3.182 2.980 3.412 . 0 0 "[ . 1]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 110 _Distance_constraint_stats_list.Viol_count 665 _Distance_constraint_stats_list.Viol_total 457.225 _Distance_constraint_stats_list.Viol_max 0.297 _Distance_constraint_stats_list.Viol_rms 0.0547 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0416 _Distance_constraint_stats_list.Viol_average_violations_only 0.0688 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 3 SER 0.261 0.077 9 0 "[ . 1]" 1 4 VAL 0.063 0.028 3 0 "[ . 1]" 1 5 SER 1.570 0.116 6 0 "[ . 1]" 1 6 GLU 0.114 0.049 2 0 "[ . 1]" 1 7 LEU 0.479 0.077 9 0 "[ . 1]" 1 8 ALA 0.096 0.028 3 0 "[ . 1]" 1 9 CYS 3.186 0.163 6 0 "[ . 1]" 1 10 ILE 0.635 0.072 2 0 "[ . 1]" 1 11 TYR 0.231 0.049 1 0 "[ . 1]" 1 12 SER 1.890 0.156 1 0 "[ . 1]" 1 13 ALA 1.981 0.163 6 0 "[ . 1]" 1 14 LEU 0.521 0.072 2 0 "[ . 1]" 1 15 ILE 0.013 0.013 4 0 "[ . 1]" 1 16 LEU 1.856 0.156 1 0 "[ . 1]" 1 17 HIS 0.364 0.092 8 0 "[ . 1]" 1 24 THR 2.462 0.165 5 0 "[ . 1]" 1 25 GLU 0.027 0.017 2 0 "[ . 1]" 1 26 ASP 0.384 0.048 6 0 "[ . 1]" 1 27 LYS 3.851 0.183 4 0 "[ . 1]" 1 28 ILE 0.998 0.152 2 0 "[ . 1]" 1 29 ASN 0.166 0.034 7 0 "[ . 1]" 1 30 ALA 0.534 0.048 6 0 "[ . 1]" 1 31 LEU 2.871 0.183 4 0 "[ . 1]" 1 32 ILE 2.201 0.188 7 0 "[ . 1]" 1 33 LYS 2.283 0.188 7 0 "[ . 1]" 1 34 ALA 0.151 0.036 3 0 "[ . 1]" 1 35 ALA 0.540 0.070 7 0 "[ . 1]" 1 36 GLY 0.331 0.052 3 0 "[ . 1]" 1 37 VAL 1.813 0.188 7 0 "[ . 1]" 1 41 PRO 3.536 0.239 7 0 "[ . 1]" 1 42 PHE 0.186 0.043 4 0 "[ . 1]" 1 43 TRP 2.574 0.160 1 0 "[ . 1]" 1 44 PRO 1.197 0.112 9 0 "[ . 1]" 1 45 GLY 4.503 0.239 7 0 "[ . 1]" 1 46 LEU 0.403 0.043 4 0 "[ . 1]" 1 47 PHE 2.746 0.160 1 0 "[ . 1]" 1 48 ALA 1.197 0.112 9 0 "[ . 1]" 1 49 LYS 0.966 0.098 9 0 "[ . 1]" 1 50 ALA 0.218 0.042 10 0 "[ . 1]" 1 51 LEU 0.172 0.074 6 0 "[ . 1]" 1 55 ASN 1.293 0.151 5 0 "[ . 1]" 1 56 ILE 1.293 0.151 5 0 "[ . 1]" 1 57 GLY 0.247 0.068 3 0 "[ . 1]" 1 58 SER 0.493 0.088 2 0 "[ . 1]" 1 59 LEU 1.538 0.151 5 0 "[ . 1]" 1 61 CYS 0.247 0.068 3 0 "[ . 1]" 1 62 ASN 0.246 0.088 2 0 "[ . 1]" 2 4 TYR 1.841 0.135 8 0 "[ . 1]" 2 5 VAL 0.081 0.025 7 0 "[ . 1]" 2 6 ALA 0.030 0.015 10 0 "[ . 1]" 2 7 SER 0.927 0.117 1 0 "[ . 1]" 2 8 TYR 2.427 0.135 8 0 "[ . 1]" 2 9 LEU 0.520 0.082 10 0 "[ . 1]" 2 10 LEU 0.988 0.153 3 0 "[ . 1]" 2 11 ALA 0.927 0.117 1 0 "[ . 1]" 2 12 ALA 0.586 0.065 8 0 "[ . 1]" 2 13 LEU 0.439 0.082 10 0 "[ . 1]" 2 14 GLY 0.958 0.153 3 0 "[ . 1]" 2 20 SER 0.023 0.023 1 0 "[ . 1]" 2 21 ALA 0.050 0.036 4 0 "[ . 1]" 2 22 LYS 1.255 0.121 3 0 "[ . 1]" 2 23 ASP 1.243 0.173 4 0 "[ . 1]" 2 24 ILE 0.445 0.085 7 0 "[ . 1]" 2 25 LYS 0.214 0.056 1 0 "[ . 1]" 2 26 LYS 3.513 0.179 10 0 "[ . 1]" 2 27 ILE 1.243 0.173 4 0 "[ . 1]" 2 28 LEU 0.421 0.085 7 0 "[ . 1]" 2 29 ASP 0.164 0.056 1 0 "[ . 1]" 2 30 SER 2.258 0.179 10 0 "[ . 1]" 2 36 ASP 4.284 0.297 9 0 "[ . 1]" 2 38 ASP 0.617 0.096 9 0 "[ . 1]" 2 39 ARG 1.652 0.144 9 0 "[ . 1]" 2 40 LEU 4.382 0.297 9 0 "[ . 1]" 2 41 ASN 0.840 0.144 2 0 "[ . 1]" 2 42 LYS 1.389 0.115 10 0 "[ . 1]" 2 43 VAL 2.047 0.144 9 0 "[ . 1]" 2 44 ILE 0.098 0.027 9 0 "[ . 1]" 2 45 SER 0.840 0.144 2 0 "[ . 1]" 2 46 GLU 0.773 0.115 10 0 "[ . 1]" 2 47 LEU 0.394 0.083 3 0 "[ . 1]" 2 51 ASN 0.203 0.075 8 0 "[ . 1]" 2 52 ILE 1.088 0.124 1 0 "[ . 1]" 2 55 VAL 0.203 0.075 8 0 "[ . 1]" 2 56 ILE 1.088 0.124 1 0 "[ . 1]" 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 3 SER O 1 7 LEU N 2.800 2.700 2.900 2.770 2.691 2.871 0.009 9 0 "[ . 1]" 3 2 1 3 SER O 1 7 LEU H 1.900 . 2.000 1.798 1.723 1.904 0.077 9 0 "[ . 1]" 3 3 1 4 VAL O 1 8 ALA N 2.800 2.700 2.900 2.745 2.672 2.823 0.028 3 0 "[ . 1]" 3 4 1 4 VAL O 1 8 ALA H 1.900 . 2.000 1.931 1.845 2.021 0.021 10 0 "[ . 1]" 3 5 1 5 SER O 1 9 CYS N 2.800 2.700 2.900 2.967 2.943 2.995 0.095 6 0 "[ . 1]" 3 6 1 5 SER O 1 9 CYS H 1.900 . 2.000 2.090 2.044 2.116 0.116 6 0 "[ . 1]" 3 7 1 6 GLU O 1 10 ILE N 2.800 2.700 2.900 2.899 2.816 2.949 0.049 2 0 "[ . 1]" 3 8 1 6 GLU O 1 10 ILE H 1.900 . 2.000 1.936 1.855 1.986 . 0 0 "[ . 1]" 3 9 1 7 LEU O 1 11 TYR N 2.800 2.700 2.900 2.898 2.861 2.949 0.049 1 0 "[ . 1]" 3 10 1 7 LEU O 1 11 TYR H 1.900 . 2.000 1.992 1.928 2.041 0.041 1 0 "[ . 1]" 3 11 1 8 ALA O 1 12 SER N 2.800 2.700 2.900 2.860 2.782 2.920 0.020 4 0 "[ . 1]" 3 12 1 8 ALA O 1 12 SER H 1.900 . 2.000 1.909 1.826 2.004 0.004 4 0 "[ . 1]" 3 13 1 9 CYS O 1 13 ALA N 2.800 2.700 2.900 3.007 2.976 3.063 0.163 6 0 "[ . 1]" 3 14 1 9 CYS O 1 13 ALA H 1.900 . 2.000 2.054 2.035 2.082 0.082 6 0 "[ . 1]" 3 15 1 10 ILE O 1 14 LEU N 2.800 2.700 2.900 2.813 2.778 2.862 . 0 0 "[ . 1]" 3 16 1 10 ILE O 1 14 LEU H 1.900 . 2.000 2.052 2.013 2.072 0.072 2 0 "[ . 1]" 3 17 1 11 TYR O 1 15 ILE N 2.800 2.700 2.900 2.782 2.740 2.821 . 0 0 "[ . 1]" 3 18 1 11 TYR O 1 15 ILE H 1.900 . 2.000 1.830 1.787 1.871 0.013 4 0 "[ . 1]" 3 19 1 12 SER O 1 16 LEU N 2.800 2.700 2.900 3.019 2.981 3.056 0.156 1 0 "[ . 1]" 3 20 1 12 SER O 1 16 LEU H 1.900 . 2.000 2.067 2.029 2.098 0.098 1 0 "[ . 1]" 3 21 1 13 ALA O 1 17 HIS N 2.800 2.700 2.900 2.823 2.720 2.919 0.019 6 0 "[ . 1]" 3 22 1 13 ALA O 1 17 HIS H 1.900 . 2.000 1.993 1.852 2.092 0.092 8 0 "[ . 1]" 3 23 1 24 THR O 1 27 LYS N 2.800 2.700 2.900 2.831 2.794 2.877 . 0 0 "[ . 1]" 3 24 1 24 THR O 1 27 LYS H 1.900 . 2.000 2.152 2.135 2.165 0.165 5 0 "[ . 1]" 3 25 1 24 THR O 1 28 ILE N 2.800 2.700 2.900 2.978 2.946 3.052 0.152 2 0 "[ . 1]" 3 26 1 24 THR O 1 28 ILE H 1.900 . 2.000 2.009 1.979 2.083 0.083 2 0 "[ . 1]" 3 27 1 25 GLU O 1 29 ASN N 2.800 2.700 2.900 2.811 2.729 2.917 0.017 2 0 "[ . 1]" 3 28 1 25 GLU O 1 29 ASN H 1.900 . 2.000 1.880 1.791 1.995 0.009 10 0 "[ . 1]" 3 29 1 26 ASP O 1 30 ALA N 2.800 2.700 2.900 2.872 2.778 2.948 0.048 6 0 "[ . 1]" 3 30 1 26 ASP O 1 30 ALA H 1.900 . 2.000 2.025 1.964 2.046 0.046 10 0 "[ . 1]" 3 31 1 27 LYS O 1 31 LEU N 2.800 2.700 2.900 3.039 2.989 3.083 0.183 4 0 "[ . 1]" 3 32 1 27 LYS O 1 31 LEU H 1.900 . 2.000 2.094 2.030 2.139 0.139 4 0 "[ . 1]" 3 33 1 28 ILE O 1 32 ILE N 2.800 2.700 2.900 2.851 2.761 2.930 0.030 6 0 "[ . 1]" 3 34 1 28 ILE O 1 32 ILE H 1.900 . 2.000 1.876 1.789 1.955 0.011 10 0 "[ . 1]" 3 35 1 29 ASN O 1 33 LYS N 2.800 2.700 2.900 2.861 2.774 2.934 0.034 7 0 "[ . 1]" 3 36 1 29 ASN O 1 33 LYS H 1.900 . 2.000 1.943 1.857 2.031 0.031 7 0 "[ . 1]" 3 37 1 30 ALA O 1 34 ALA N 2.800 2.700 2.900 2.880 2.790 2.936 0.036 3 0 "[ . 1]" 3 38 1 30 ALA O 1 34 ALA H 1.900 . 2.000 1.965 1.848 2.032 0.032 8 0 "[ . 1]" 3 39 1 31 LEU O 1 35 ALA N 2.800 2.700 2.900 2.952 2.921 2.970 0.070 7 0 "[ . 1]" 3 40 1 31 LEU O 1 35 ALA H 1.900 . 2.000 1.993 1.972 2.009 0.009 7 0 "[ . 1]" 3 41 1 32 ILE O 1 36 GLY N 2.800 2.700 2.900 2.668 2.648 2.708 0.052 3 0 "[ . 1]" 3 42 1 32 ILE O 1 36 GLY H 1.900 . 2.000 1.941 1.866 2.003 0.003 6 0 "[ . 1]" 3 43 1 32 ILE O 1 37 VAL N 2.800 2.700 2.900 2.928 2.899 2.946 0.046 7 0 "[ . 1]" 3 44 1 32 ILE O 1 37 VAL H 1.900 . 2.000 2.154 2.113 2.188 0.188 7 0 "[ . 1]" 3 45 1 41 PRO O 1 45 GLY N 2.800 2.700 2.900 3.117 3.095 3.139 0.239 7 0 "[ . 1]" 3 46 1 41 PRO O 1 45 GLY H 1.900 . 2.000 2.136 2.113 2.154 0.154 6 0 "[ . 1]" 3 47 1 42 PHE O 1 46 LEU N 2.800 2.700 2.900 2.757 2.727 2.796 . 0 0 "[ . 1]" 3 48 1 42 PHE O 1 46 LEU H 1.900 . 2.000 1.786 1.757 1.839 0.043 4 0 "[ . 1]" 3 49 1 43 TRP O 1 47 PHE N 2.800 2.700 2.900 2.571 2.552 2.587 0.148 3 0 "[ . 1]" 3 50 1 43 TRP O 1 47 PHE H 1.900 . 2.000 1.671 1.640 1.700 0.160 1 0 "[ . 1]" 3 51 1 44 PRO O 1 48 ALA N 2.800 2.700 2.900 2.977 2.937 3.012 0.112 9 0 "[ . 1]" 3 52 1 44 PRO O 1 48 ALA H 1.900 . 2.000 2.042 2.008 2.074 0.074 9 0 "[ . 1]" 3 53 1 45 GLY O 1 49 LYS N 2.800 2.700 2.900 2.952 2.921 2.998 0.098 9 0 "[ . 1]" 3 54 1 45 GLY O 1 49 LYS H 1.900 . 2.000 2.045 2.014 2.083 0.083 9 0 "[ . 1]" 3 55 1 46 LEU O 1 50 ALA N 2.800 2.700 2.900 2.726 2.664 2.893 0.036 9 0 "[ . 1]" 3 56 1 46 LEU O 1 50 ALA H 1.900 . 2.000 1.864 1.758 2.033 0.042 10 0 "[ . 1]" 3 57 1 47 PHE O 1 51 LEU N 2.800 2.700 2.900 2.751 2.693 2.772 0.007 6 0 "[ . 1]" 3 58 1 47 PHE O 1 51 LEU H 1.900 . 2.000 1.784 1.726 1.807 0.074 6 0 "[ . 1]" 3 59 1 55 ASN O 1 59 LEU N 2.800 2.700 2.900 2.914 2.895 2.933 0.033 1 0 "[ . 1]" 3 60 1 55 ASN O 1 59 LEU H 1.900 . 2.000 2.115 2.097 2.151 0.151 5 0 "[ . 1]" 3 61 1 57 GLY O 1 61 CYS N 2.800 2.700 2.900 2.874 2.799 2.917 0.017 8 0 "[ . 1]" 3 62 1 57 GLY O 1 61 CYS H 1.900 . 2.000 2.022 1.997 2.068 0.068 3 0 "[ . 1]" 3 63 1 58 SER O 1 62 ASN N 2.800 2.700 2.900 2.818 2.696 2.905 0.005 8 0 "[ . 1]" 3 64 1 58 SER O 1 62 ASN H 1.900 . 2.000 1.999 1.859 2.088 0.088 2 0 "[ . 1]" 3 65 2 4 TYR O 2 8 TYR N 2.800 2.700 2.900 2.998 2.945 3.035 0.135 8 0 "[ . 1]" 3 66 2 4 TYR O 2 8 TYR H 1.900 . 2.000 2.086 2.064 2.112 0.112 1 0 "[ . 1]" 3 67 2 5 VAL O 2 9 LEU N 2.800 2.700 2.900 2.878 2.791 2.925 0.025 7 0 "[ . 1]" 3 68 2 5 VAL O 2 9 LEU H 1.900 . 2.000 1.927 1.826 1.977 . 0 0 "[ . 1]" 3 69 2 6 ALA O 2 10 LEU N 2.800 2.700 2.900 2.814 2.743 2.908 0.008 1 0 "[ . 1]" 3 70 2 6 ALA O 2 10 LEU H 1.900 . 2.000 1.861 1.785 1.987 0.015 10 0 "[ . 1]" 3 71 2 7 SER O 2 11 ALA N 2.800 2.700 2.900 2.969 2.938 3.017 0.117 1 0 "[ . 1]" 3 72 2 7 SER O 2 11 ALA H 1.900 . 2.000 2.024 2.015 2.039 0.039 4 0 "[ . 1]" 3 73 2 8 TYR O 2 12 ALA N 2.800 2.700 2.900 2.946 2.900 2.965 0.065 8 0 "[ . 1]" 3 74 2 8 TYR O 2 12 ALA H 1.900 . 2.000 2.012 1.998 2.026 0.026 8 0 "[ . 1]" 3 75 2 9 LEU O 2 13 LEU N 2.800 2.700 2.900 2.832 2.706 2.900 . 0 0 "[ . 1]" 3 76 2 9 LEU O 2 13 LEU H 1.900 . 2.000 2.044 2.003 2.082 0.082 10 0 "[ . 1]" 3 77 2 10 LEU O 2 14 GLY N 2.800 2.700 2.900 2.738 2.623 3.053 0.153 3 0 "[ . 1]" 3 78 2 10 LEU O 2 14 GLY H 1.900 . 2.000 1.868 1.788 2.149 0.149 1 0 "[ . 1]" 3 79 2 20 SER O 2 24 ILE N 2.800 2.700 2.900 2.844 2.755 2.923 0.023 1 0 "[ . 1]" 3 80 2 20 SER O 2 24 ILE H 1.900 . 2.000 1.902 1.812 1.994 . 0 0 "[ . 1]" 3 81 2 21 ALA O 2 25 LYS N 2.800 2.700 2.900 2.820 2.736 2.893 . 0 0 "[ . 1]" 3 82 2 21 ALA O 2 25 LYS H 1.900 . 2.000 1.916 1.798 2.036 0.036 4 0 "[ . 1]" 3 83 2 22 LYS O 2 26 LYS N 2.800 2.700 2.900 2.969 2.861 3.021 0.121 3 0 "[ . 1]" 3 84 2 22 LYS O 2 26 LYS H 1.900 . 2.000 2.052 2.004 2.101 0.101 3 0 "[ . 1]" 3 85 2 23 ASP O 2 27 ILE N 2.800 2.700 2.900 2.971 2.771 3.073 0.173 4 0 "[ . 1]" 3 86 2 23 ASP O 2 27 ILE H 1.900 . 2.000 1.999 1.795 2.099 0.099 4 0 "[ . 1]" 3 87 2 24 ILE O 2 28 LEU N 2.800 2.700 2.900 2.940 2.902 2.985 0.085 7 0 "[ . 1]" 3 88 2 24 ILE O 2 28 LEU H 1.900 . 2.000 1.971 1.945 2.014 0.014 7 0 "[ . 1]" 3 89 2 25 LYS O 2 29 ASP N 2.800 2.700 2.900 2.734 2.644 2.823 0.056 1 0 "[ . 1]" 3 90 2 25 LYS O 2 29 ASP H 1.900 . 2.000 1.906 1.785 2.019 0.019 10 0 "[ . 1]" 3 91 2 26 LYS O 2 30 SER N 2.800 2.700 2.900 2.980 2.641 3.065 0.165 1 0 "[ . 1]" 3 92 2 26 LYS O 2 30 SER H 1.900 . 2.000 2.090 1.779 2.179 0.179 10 0 "[ . 1]" 3 93 2 36 ASP O 2 40 LEU N 2.800 2.700 2.900 3.155 3.133 3.197 0.297 9 0 "[ . 1]" 3 94 2 36 ASP O 2 40 LEU H 1.900 . 2.000 2.174 2.155 2.211 0.211 9 0 "[ . 1]" 3 95 2 38 ASP O 2 42 LYS N 2.800 2.700 2.900 2.825 2.781 2.847 . 0 0 "[ . 1]" 3 96 2 38 ASP O 2 42 LYS H 1.900 . 2.000 2.062 2.025 2.096 0.096 9 0 "[ . 1]" 3 97 2 39 ARG O 2 43 VAL N 2.800 2.700 2.900 3.006 2.953 3.044 0.144 9 0 "[ . 1]" 3 98 2 39 ARG O 2 43 VAL H 1.900 . 2.000 2.059 2.023 2.094 0.094 9 0 "[ . 1]" 3 99 2 40 LEU O 2 44 ILE N 2.800 2.700 2.900 2.833 2.722 2.925 0.025 3 0 "[ . 1]" 3 100 2 40 LEU O 2 44 ILE H 1.900 . 2.000 1.877 1.773 1.961 0.027 9 0 "[ . 1]" 3 101 2 41 ASN O 2 45 SER N 2.800 2.700 2.900 2.953 2.870 3.044 0.144 2 0 "[ . 1]" 3 102 2 41 ASN O 2 45 SER H 1.900 . 2.000 2.024 2.001 2.063 0.063 2 0 "[ . 1]" 3 103 2 42 LYS O 2 46 GLU N 2.800 2.700 2.900 2.914 2.843 3.003 0.103 10 0 "[ . 1]" 3 104 2 42 LYS O 2 46 GLU H 1.900 . 2.000 2.051 2.000 2.115 0.115 10 0 "[ . 1]" 3 105 2 43 VAL O 2 47 LEU N 2.800 2.700 2.900 2.712 2.627 2.799 0.073 10 0 "[ . 1]" 3 106 2 43 VAL O 2 47 LEU H 1.900 . 2.000 1.830 1.717 1.966 0.083 3 0 "[ . 1]" 3 107 2 51 ASN O 2 55 VAL N 2.800 2.700 2.900 2.867 2.770 2.975 0.075 8 0 "[ . 1]" 3 108 2 51 ASN O 2 55 VAL H 1.900 . 2.000 1.940 1.845 2.017 0.017 8 0 "[ . 1]" 3 109 2 52 ILE O 2 56 ILE N 2.800 2.700 2.900 2.976 2.898 3.024 0.124 1 0 "[ . 1]" 3 110 2 52 ILE O 2 56 ILE H 1.900 . 2.000 2.026 1.940 2.075 0.075 9 0 "[ . 1]" 3 stop_ save_
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