NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
629135 | 5w8y | 30309 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5w8y 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 288 _Distance_constraint_stats_list.Viol_count 361 _Distance_constraint_stats_list.Viol_total 1047.707 _Distance_constraint_stats_list.Viol_max 0.669 _Distance_constraint_stats_list.Viol_rms 0.0444 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0091 _Distance_constraint_stats_list.Viol_average_violations_only 0.1451 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 2 ASN 9.272 0.330 12 0 "[ . 1 . 2]" 1 3 ALA 3.679 0.160 20 0 "[ . 1 . 2]" 1 4 ILE 10.442 0.364 12 0 "[ . 1 . 2]" 1 5 ASP 0.008 0.008 11 0 "[ . 1 . 2]" 1 6 ILE 1.106 0.134 2 0 "[ . 1 . 2]" 1 7 ALA 0.020 0.020 11 0 "[ . 1 . 2]" 1 8 ILE 0.058 0.058 10 0 "[ . 1 . 2]" 1 9 ASN 0.043 0.035 14 0 "[ . 1 . 2]" 1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 LEU 0.251 0.251 14 0 "[ . 1 . 2]" 1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 VAL 2.254 0.184 17 0 "[ . 1 . 2]" 1 15 SER 2.659 0.184 17 0 "[ . 1 . 2]" 1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 ALA 0.345 0.094 1 0 "[ . 1 . 2]" 1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 22 GLY 0.345 0.094 1 0 "[ . 1 . 2]" 1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 24 ASN 4.617 0.262 8 0 "[ . 1 . 2]" 1 25 GLN 3.859 0.262 8 0 "[ . 1 . 2]" 1 26 SER 1.833 0.669 19 1 "[ . 1 . +2]" 1 27 ALA 0.021 0.021 2 0 "[ . 1 . 2]" 1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 SER 0.005 0.005 1 0 "[ . 1 . 2]" 1 30 GLN 0.005 0.005 1 0 "[ . 1 . 2]" 1 31 TRP 0.814 0.149 3 0 "[ . 1 . 2]" 1 32 ARG 2.222 0.161 8 0 "[ . 1 . 2]" 1 33 ALA 5.466 0.261 5 0 "[ . 1 . 2]" 1 34 ARG 6.128 0.577 12 2 "[ . 1 + . -2]" 1 35 GLY 3.567 0.220 17 0 "[ . 1 . 2]" 1 36 ARG 0.533 0.112 19 0 "[ . 1 . 2]" 1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 38 PRO 0.139 0.072 19 0 "[ . 1 . 2]" 1 39 ALA 5.078 0.401 18 0 "[ . 1 . 2]" 1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 ARG 3.773 0.286 6 0 "[ . 1 . 2]" 1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 44 ASP 3.773 0.286 6 0 "[ . 1 . 2]" 1 45 ILE 5.864 0.364 12 0 "[ . 1 . 2]" 1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 LEU 2.103 0.487 20 0 "[ . 1 . 2]" 1 48 TYR 1.031 0.245 11 0 "[ . 1 . 2]" 1 49 THR 0.020 0.020 11 0 "[ . 1 . 2]" 1 50 ASP 1.031 0.245 11 0 "[ . 1 . 2]" 1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 VAL 1.847 0.160 20 0 "[ . 1 . 2]" 1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 57 GLU 0.088 0.088 7 0 "[ . 1 . 2]" 1 58 LEU 4.990 0.401 18 0 "[ . 1 . 2]" 1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 60 PRO 4.260 0.465 15 0 "[ . 1 . 2]" 1 61 ASP 4.559 0.465 15 0 "[ . 1 . 2]" 1 62 VAL 0.300 0.116 13 0 "[ . 1 . 2]" 1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 GLY 0.012 0.012 10 0 "[ . 1 . 2]" 1 65 ALA 0.012 0.012 10 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 28 ILE HA 1 28 ILE MD 3.910 . 3.910 2.131 2.059 2.246 . 0 0 "[ . 1 . 2]" 1 2 1 18 ALA HA 1 28 ILE MD 4.280 . 4.280 2.210 2.010 2.365 . 0 0 "[ . 1 . 2]" 1 3 1 28 ILE MD 1 31 TRP HZ3 4.850 . 4.850 2.625 2.458 2.814 . 0 0 "[ . 1 . 2]" 1 4 1 28 ILE MD 1 31 TRP HE3 4.760 . 4.760 2.597 2.356 2.885 . 0 0 "[ . 1 . 2]" 1 5 1 17 LEU HG 1 28 ILE MD 4.740 . 4.740 2.410 2.177 2.610 . 0 0 "[ . 1 . 2]" 1 6 1 45 ILE HA 1 45 ILE MD 4.030 . 4.030 3.798 3.746 3.847 . 0 0 "[ . 1 . 2]" 1 7 1 31 TRP HZ3 1 45 ILE MD 4.570 . 4.570 3.045 2.494 3.509 . 0 0 "[ . 1 . 2]" 1 8 1 43 ILE HA 1 43 ILE MD 4.730 . 4.730 3.272 2.060 3.938 . 0 0 "[ . 1 . 2]" 1 9 1 8 ILE MD 1 32 ARG HD3 4.380 . 4.380 2.823 1.880 4.438 0.058 10 0 "[ . 1 . 2]" 1 10 1 8 ILE MD 1 14 VAL HA 4.790 . 4.790 4.206 4.007 4.392 . 0 0 "[ . 1 . 2]" 1 11 1 8 ILE MD 1 32 ARG HD2 4.380 . 4.380 3.102 2.082 4.250 . 0 0 "[ . 1 . 2]" 1 12 1 4 ILE HB 1 4 ILE MD 3.660 . 3.660 2.400 2.375 2.425 . 0 0 "[ . 1 . 2]" 1 13 1 4 ILE MD 1 32 ARG HA 4.150 . 4.150 2.754 2.091 3.625 . 0 0 "[ . 1 . 2]" 1 14 1 4 ILE HA 1 4 ILE MD 4.130 . 4.130 3.454 3.334 3.548 . 0 0 "[ . 1 . 2]" 1 15 1 4 ILE MD 1 36 ARG HA 5.090 . 5.090 2.774 2.247 3.634 . 0 0 "[ . 1 . 2]" 1 16 1 4 ILE MD 1 31 TRP HE3 5.090 . 5.090 5.081 4.842 5.239 0.149 3 0 "[ . 1 . 2]" 1 17 1 2 ASN HA 1 4 ILE MD 4.200 . 4.200 4.391 4.149 4.530 0.330 12 0 "[ . 1 . 2]" 1 18 1 3 ALA HA 1 6 ILE HB 3.800 . 3.800 2.740 2.448 3.073 . 0 0 "[ . 1 . 2]" 1 19 1 4 ILE HA 1 45 ILE MD 3.900 . 3.900 2.073 1.796 2.483 . 0 0 "[ . 1 . 2]" 1 20 1 4 ILE HB 1 32 ARG HA 3.650 . 3.650 2.512 2.186 3.076 . 0 0 "[ . 1 . 2]" 1 21 1 4 ILE HB 1 45 ILE MD 3.790 . 3.790 4.083 4.006 4.154 0.364 12 0 "[ . 1 . 2]" 1 22 1 5 ASP HA 1 8 ILE HB 4.290 . 4.290 2.962 2.503 3.377 . 0 0 "[ . 1 . 2]" 1 23 1 5 ASP HA 1 8 ILE MD 4.040 . 4.040 1.820 1.664 2.127 . 0 0 "[ . 1 . 2]" 1 24 1 6 ILE HA 1 6 ILE MD 4.200 . 4.200 2.344 2.008 3.862 . 0 0 "[ . 1 . 2]" 1 25 1 6 ILE HB 1 6 ILE MD 3.740 . 3.740 3.168 2.504 3.296 . 0 0 "[ . 1 . 2]" 1 26 1 8 ILE HA 1 8 ILE MD 4.420 . 4.420 3.927 3.889 3.957 . 0 0 "[ . 1 . 2]" 1 27 1 28 ILE HA 1 31 TRP HE3 5.230 . 5.230 3.050 2.815 3.300 . 0 0 "[ . 1 . 2]" 1 28 1 28 ILE HA 1 31 TRP HB3 5.010 . 5.010 4.258 3.918 4.594 . 0 0 "[ . 1 . 2]" 1 29 1 28 ILE HA 1 31 TRP HB2 5.010 . 5.010 2.629 2.303 2.922 . 0 0 "[ . 1 . 2]" 1 30 1 10 LYS HA 1 10 LYS HD3 5.210 . 5.210 3.781 3.237 4.693 . 0 0 "[ . 1 . 2]" 1 31 1 10 LYS HA 1 10 LYS HD2 5.210 . 5.210 4.439 4.196 4.742 . 0 0 "[ . 1 . 2]" 1 32 1 34 ARG HA 1 34 ARG HD3 4.020 . 4.020 3.408 2.385 4.451 0.431 14 0 "[ . 1 . 2]" 1 33 1 34 ARG HA 1 34 ARG HD2 4.020 . 4.020 3.171 2.289 4.597 0.577 12 2 "[ . 1 + . -2]" 1 34 1 37 VAL HB 1 38 PRO HD2 4.420 . 4.420 2.362 2.009 2.543 . 0 0 "[ . 1 . 2]" 1 35 1 37 VAL HB 1 38 PRO HD3 4.420 . 4.420 3.424 3.166 3.698 . 0 0 "[ . 1 . 2]" 1 36 1 39 ALA HA 1 57 GLU HG2 5.300 . 5.300 4.629 3.122 5.127 . 0 0 "[ . 1 . 2]" 1 37 1 39 ALA HA 1 57 GLU HG3 5.300 . 5.300 3.671 3.003 5.388 0.088 7 0 "[ . 1 . 2]" 1 38 1 39 ALA HA 1 58 LEU HA 4.850 . 4.850 5.100 4.933 5.251 0.401 18 0 "[ . 1 . 2]" 1 39 1 41 ARG HA 1 41 ARG HD2 4.170 . 4.170 3.403 3.126 3.815 . 0 0 "[ . 1 . 2]" 1 40 1 41 ARG HA 1 41 ARG HD3 4.170 . 4.170 3.814 3.098 4.014 . 0 0 "[ . 1 . 2]" 1 41 1 42 CYS HA 1 45 ILE HB 3.690 . 3.690 2.309 1.856 2.675 . 0 0 "[ . 1 . 2]" 1 42 1 46 GLU HA 1 49 THR H 3.900 . 3.900 2.858 2.582 3.060 . 0 0 "[ . 1 . 2]" 1 43 1 51 GLY H 1 52 ARG H 3.940 . 3.940 2.243 1.926 2.683 . 0 0 "[ . 1 . 2]" 1 44 1 51 GLY H 1 53 VAL H 5.120 . 5.120 4.129 3.309 4.753 . 0 0 "[ . 1 . 2]" 1 45 1 35 GLY H 1 36 ARG H 3.580 . 3.580 2.495 2.341 2.619 . 0 0 "[ . 1 . 2]" 1 46 1 32 ARG HA 1 35 GLY H 4.700 . 4.700 3.407 3.143 3.715 . 0 0 "[ . 1 . 2]" 1 47 1 4 ILE MD 1 35 GLY H 4.720 . 4.720 3.495 3.236 3.924 . 0 0 "[ . 1 . 2]" 1 48 1 11 LEU H 1 12 GLY H 3.480 . 3.480 2.416 2.287 2.628 . 0 0 "[ . 1 . 2]" 1 49 1 9 ASN HA 1 12 GLY H 3.960 . 3.960 3.530 3.274 3.724 . 0 0 "[ . 1 . 2]" 1 50 1 8 ILE HA 1 12 GLY H 5.150 . 5.150 4.285 4.001 4.625 . 0 0 "[ . 1 . 2]" 1 51 1 11 LEU HB3 1 12 GLY H 4.700 . 4.700 4.164 3.708 4.403 . 0 0 "[ . 1 . 2]" 1 52 1 8 ILE HA 1 13 SER H 5.180 . 5.180 3.955 3.600 4.503 . 0 0 "[ . 1 . 2]" 1 53 1 13 SER H 1 14 VAL H 5.080 . 5.080 4.375 4.317 4.411 . 0 0 "[ . 1 . 2]" 1 54 1 20 ALA HA 1 22 GLY H 4.050 . 4.050 4.046 3.962 4.144 0.094 1 0 "[ . 1 . 2]" 1 55 1 63 PHE HB3 1 64 GLY H 5.330 . 5.330 3.487 1.951 4.608 . 0 0 "[ . 1 . 2]" 1 56 1 63 PHE HB2 1 64 GLY H 5.330 . 5.330 3.810 2.617 4.671 . 0 0 "[ . 1 . 2]" 1 57 1 39 ALA HA 1 40 GLY H 2.920 . 2.920 2.223 2.165 2.292 . 0 0 "[ . 1 . 2]" 1 58 1 18 ALA HA 1 23 VAL H 4.700 . 4.700 3.410 3.274 3.545 . 0 0 "[ . 1 . 2]" 1 59 1 27 ALA H 1 28 ILE H 3.580 . 3.580 2.669 2.591 2.775 . 0 0 "[ . 1 . 2]" 1 60 1 28 ILE H 1 29 SER H 3.720 . 3.720 2.683 2.640 2.744 . 0 0 "[ . 1 . 2]" 1 61 1 25 GLN HA 1 28 ILE H 4.230 . 4.230 3.491 3.311 3.780 . 0 0 "[ . 1 . 2]" 1 62 1 28 ILE H 1 28 ILE HB 3.290 . 3.290 2.569 2.497 2.620 . 0 0 "[ . 1 . 2]" 1 63 1 28 ILE H 1 28 ILE MD 4.430 . 4.430 3.192 3.084 3.399 . 0 0 "[ . 1 . 2]" 1 64 1 28 ILE HB 1 29 SER H 3.590 . 3.590 2.482 2.266 2.616 . 0 0 "[ . 1 . 2]" 1 65 1 25 GLN HA 1 29 SER H 5.370 . 5.370 4.491 4.108 4.827 . 0 0 "[ . 1 . 2]" 1 66 1 37 VAL H 1 57 GLU HA 3.420 . 3.420 2.779 2.272 3.245 . 0 0 "[ . 1 . 2]" 1 67 1 36 ARG HA 1 37 VAL H 3.220 . 3.220 2.275 2.177 2.384 . 0 0 "[ . 1 . 2]" 1 68 1 52 ARG H 1 53 VAL H 3.790 . 3.790 2.477 2.216 2.871 . 0 0 "[ . 1 . 2]" 1 69 1 14 VAL HB 1 15 SER H 3.640 . 3.640 3.022 2.933 3.114 . 0 0 "[ . 1 . 2]" 1 70 1 24 ASN HD21 1 26 SER H 3.610 . 3.610 3.441 3.098 3.824 0.214 7 0 "[ . 1 . 2]" 1 71 1 26 SER H 1 26 SER HB2 2.880 . 2.880 2.610 2.509 3.549 0.669 19 1 "[ . 1 . +2]" 1 72 1 40 GLY H 1 41 ARG H 3.710 . 3.710 2.826 2.537 3.337 . 0 0 "[ . 1 . 2]" 1 73 1 41 ARG H 1 42 CYS H 3.270 . 3.270 2.077 1.633 2.676 . 0 0 "[ . 1 . 2]" 1 74 1 3 ALA H 1 4 ILE H 3.930 . 3.930 2.866 2.688 3.011 . 0 0 "[ . 1 . 2]" 1 75 1 4 ILE H 1 5 ASP H 3.350 . 3.350 2.542 2.397 2.645 . 0 0 "[ . 1 . 2]" 1 76 1 4 ILE H 1 4 ILE HB 3.500 . 3.500 2.716 2.653 2.767 . 0 0 "[ . 1 . 2]" 1 77 1 48 TYR H 1 49 THR H 3.490 . 3.490 2.366 2.260 2.515 . 0 0 "[ . 1 . 2]" 1 78 1 47 LEU H 1 48 TYR H 3.450 . 3.450 2.677 2.541 2.770 . 0 0 "[ . 1 . 2]" 1 79 1 45 ILE HA 1 48 TYR H 4.350 . 4.350 3.347 3.190 3.499 . 0 0 "[ . 1 . 2]" 1 80 1 47 LEU HB2 1 48 TYR H 4.720 . 4.720 3.049 2.497 4.250 . 0 0 "[ . 1 . 2]" 1 81 1 34 ARG H 1 35 GLY H 3.490 . 3.490 2.343 2.176 2.479 . 0 0 "[ . 1 . 2]" 1 82 1 33 ALA H 1 34 ARG H 3.720 . 3.720 2.476 2.274 2.664 . 0 0 "[ . 1 . 2]" 1 83 1 18 ALA HA 1 21 LEU H 4.770 . 4.770 3.232 3.039 3.383 . 0 0 "[ . 1 . 2]" 1 84 1 21 LEU H 1 21 LEU HG 3.820 . 3.820 2.678 2.488 2.884 . 0 0 "[ . 1 . 2]" 1 85 1 44 ASP H 1 46 GLU H 5.020 . 5.020 3.853 3.578 4.149 . 0 0 "[ . 1 . 2]" 1 86 1 24 ASN H 1 24 ASN HB3 3.960 . 3.960 3.031 2.512 3.625 . 0 0 "[ . 1 . 2]" 1 87 1 23 VAL HB 1 24 ASN H 3.210 . 3.210 2.131 1.997 2.270 . 0 0 "[ . 1 . 2]" 1 88 1 8 ILE HA 1 11 LEU H 4.980 . 4.980 3.919 3.761 4.146 . 0 0 "[ . 1 . 2]" 1 89 1 10 LYS HB3 1 11 LEU H 4.070 . 4.070 2.633 2.393 2.877 . 0 0 "[ . 1 . 2]" 1 90 1 11 LEU H 1 11 LEU HG 3.550 . 3.550 2.695 2.443 3.801 0.251 14 0 "[ . 1 . 2]" 1 91 1 9 ASN H 1 10 LYS H 3.780 . 3.780 2.609 2.499 2.728 . 0 0 "[ . 1 . 2]" 1 92 1 6 ILE HA 1 9 ASN H 4.430 . 4.430 3.338 2.955 3.545 . 0 0 "[ . 1 . 2]" 1 93 1 5 ASP HA 1 9 ASN H 4.750 . 4.750 4.481 4.139 4.758 0.008 11 0 "[ . 1 . 2]" 1 94 1 32 ARG H 1 33 ALA H 3.700 . 3.700 2.489 2.439 2.598 . 0 0 "[ . 1 . 2]" 1 95 1 32 ARG H 1 33 ALA HA 5.050 . 5.050 5.154 5.114 5.211 0.161 8 0 "[ . 1 . 2]" 1 96 1 31 TRP HB3 1 32 ARG H 3.970 . 3.970 3.741 3.548 3.890 . 0 0 "[ . 1 . 2]" 1 97 1 4 ILE HA 1 8 ILE H 4.940 . 4.940 4.542 4.363 4.725 . 0 0 "[ . 1 . 2]" 1 98 1 42 CYS H 1 43 ILE H 4.050 . 4.050 2.656 2.452 2.782 . 0 0 "[ . 1 . 2]" 1 99 1 43 ILE H 1 44 ASP H 3.840 . 3.840 2.840 2.721 2.966 . 0 0 "[ . 1 . 2]" 1 100 1 42 CYS HB3 1 43 ILE H 4.610 . 4.610 3.215 2.811 3.902 . 0 0 "[ . 1 . 2]" 1 101 1 43 ILE H 1 43 ILE HB 3.450 . 3.450 2.541 2.394 2.654 . 0 0 "[ . 1 . 2]" 1 102 1 45 ILE H 1 46 GLU H 3.560 . 3.560 2.695 2.631 2.770 . 0 0 "[ . 1 . 2]" 1 103 1 44 ASP H 1 45 ILE H 3.450 . 3.450 2.543 2.406 2.647 . 0 0 "[ . 1 . 2]" 1 104 1 42 CYS HA 1 45 ILE H 3.770 . 3.770 3.258 2.922 3.639 . 0 0 "[ . 1 . 2]" 1 105 1 45 ILE H 1 45 ILE HB 3.340 . 3.340 2.446 2.369 2.531 . 0 0 "[ . 1 . 2]" 1 106 1 17 LEU H 1 19 ALA H 5.340 . 5.340 4.096 3.920 4.259 . 0 0 "[ . 1 . 2]" 1 107 1 15 SER HA 1 19 ALA H 4.990 . 4.990 4.178 3.970 4.411 . 0 0 "[ . 1 . 2]" 1 108 1 5 ASP HB3 1 6 ILE H 4.080 . 4.080 2.654 2.440 2.923 . 0 0 "[ . 1 . 2]" 1 109 1 5 ASP HB2 1 6 ILE H 4.080 . 4.080 3.912 3.761 4.043 . 0 0 "[ . 1 . 2]" 1 110 1 6 ILE H 1 6 ILE HB 3.310 . 3.310 2.451 2.335 2.542 . 0 0 "[ . 1 . 2]" 1 111 1 6 ILE H 1 6 ILE MD 4.630 . 4.630 3.467 3.031 3.730 . 0 0 "[ . 1 . 2]" 1 112 1 46 GLU H 1 47 LEU H 3.910 . 3.910 2.515 2.351 2.635 . 0 0 "[ . 1 . 2]" 1 113 1 44 ASP HA 1 47 LEU H 5.030 . 5.030 3.408 3.084 3.610 . 0 0 "[ . 1 . 2]" 1 114 1 47 LEU H 1 47 LEU HG 3.600 . 3.600 3.051 2.197 4.087 0.487 20 0 "[ . 1 . 2]" 1 115 1 47 LEU H 1 47 LEU HB3 3.780 . 3.780 3.342 2.057 3.648 . 0 0 "[ . 1 . 2]" 1 116 1 47 LEU H 1 47 LEU HB2 3.780 . 3.780 2.391 2.049 2.844 . 0 0 "[ . 1 . 2]" 1 117 1 2 ASN HA 1 3 ALA H 3.350 . 3.350 2.403 2.246 2.516 . 0 0 "[ . 1 . 2]" 1 118 1 2 ASN HB3 1 3 ALA H 3.620 . 3.620 3.479 2.498 3.767 0.147 14 0 "[ . 1 . 2]" 1 119 1 48 TYR H 1 50 ASP H 4.770 . 4.770 4.665 4.227 5.015 0.245 11 0 "[ . 1 . 2]" 1 120 1 49 THR H 1 50 ASP H 3.640 . 3.640 2.981 2.460 3.552 . 0 0 "[ . 1 . 2]" 1 121 1 43 ILE HB 1 44 ASP H 4.260 . 4.260 2.474 2.220 2.687 . 0 0 "[ . 1 . 2]" 1 122 1 56 ARG HA 1 57 GLU H 3.080 . 3.080 2.159 2.090 2.229 . 0 0 "[ . 1 . 2]" 1 123 1 57 GLU H 1 57 GLU HG3 4.540 . 4.540 2.863 2.259 3.090 . 0 0 "[ . 1 . 2]" 1 124 1 57 GLU H 1 57 GLU HG2 4.540 . 4.540 2.326 1.853 3.768 . 0 0 "[ . 1 . 2]" 1 125 1 16 ALA H 1 17 LEU H 3.750 . 3.750 2.568 2.462 2.699 . 0 0 "[ . 1 . 2]" 1 126 1 14 VAL HA 1 17 LEU H 4.560 . 4.560 3.075 2.891 3.211 . 0 0 "[ . 1 . 2]" 1 127 1 17 LEU H 1 17 LEU HB2 3.580 . 3.580 2.559 2.516 2.607 . 0 0 "[ . 1 . 2]" 1 128 1 17 LEU H 1 17 LEU HB3 3.580 . 3.580 2.572 2.528 2.627 . 0 0 "[ . 1 . 2]" 1 129 1 61 ASP H 1 62 VAL H 4.540 . 4.540 3.207 2.174 4.656 0.116 13 0 "[ . 1 . 2]" 1 130 1 60 PRO HA 1 61 ASP H 3.430 . 3.430 2.607 2.030 3.498 0.068 10 0 "[ . 1 . 2]" 1 131 1 10 LYS H 1 11 LEU H 3.730 . 3.730 2.608 2.502 2.706 . 0 0 "[ . 1 . 2]" 1 132 1 6 ILE HA 1 10 LYS H 5.440 . 5.440 4.241 4.011 4.409 . 0 0 "[ . 1 . 2]" 1 133 1 17 LEU HA 1 20 ALA H 4.650 . 4.650 3.642 3.474 3.723 . 0 0 "[ . 1 . 2]" 1 134 1 18 ALA HA 1 20 ALA H 5.940 . 5.940 4.280 4.109 4.448 . 0 0 "[ . 1 . 2]" 1 135 1 24 ASN HA 1 25 GLN H 2.750 . 2.750 2.391 2.252 2.531 . 0 0 "[ . 1 . 2]" 1 136 1 24 ASN HB3 1 25 GLN H 3.590 . 3.590 3.183 2.268 3.723 0.133 5 0 "[ . 1 . 2]" 1 137 1 30 GLN H 1 31 TRP H 3.640 . 3.640 2.599 2.433 2.742 . 0 0 "[ . 1 . 2]" 1 138 1 31 TRP H 1 31 TRP HD1 3.610 . 3.610 3.122 2.958 3.489 . 0 0 "[ . 1 . 2]" 1 139 1 31 TRP H 1 31 TRP HB3 3.860 . 3.860 3.617 3.589 3.646 . 0 0 "[ . 1 . 2]" 1 140 1 28 ILE HA 1 31 TRP H 4.450 . 4.450 3.349 3.176 3.570 . 0 0 "[ . 1 . 2]" 1 141 1 18 ALA H 1 19 ALA H 3.890 . 3.890 2.628 2.498 2.837 . 0 0 "[ . 1 . 2]" 1 142 1 17 LEU H 1 18 ALA H 3.560 . 3.560 2.726 2.612 2.854 . 0 0 "[ . 1 . 2]" 1 143 1 18 ALA H 1 20 ALA H 5.460 . 5.460 4.083 3.842 4.344 . 0 0 "[ . 1 . 2]" 1 144 1 15 SER HA 1 18 ALA H 4.390 . 4.390 3.915 3.646 4.236 . 0 0 "[ . 1 . 2]" 1 145 1 18 ALA H 1 28 ILE MD 4.870 . 4.870 3.773 3.303 4.084 . 0 0 "[ . 1 . 2]" 1 146 1 14 VAL H 1 15 SER H 3.660 . 3.660 2.386 2.338 2.462 . 0 0 "[ . 1 . 2]" 1 147 1 13 SER HA 1 14 VAL H 2.980 . 2.980 2.348 2.281 2.454 . 0 0 "[ . 1 . 2]" 1 148 1 14 VAL H 1 15 SER HA 4.920 . 4.920 5.033 4.990 5.104 0.184 17 0 "[ . 1 . 2]" 1 149 1 14 VAL H 1 14 VAL HB 3.170 . 3.170 2.315 2.245 2.406 . 0 0 "[ . 1 . 2]" 1 150 1 38 PRO HA 1 39 ALA H 3.140 . 3.140 2.393 2.243 2.456 . 0 0 "[ . 1 . 2]" 1 151 1 39 ALA H 1 40 GLY H 4.970 . 4.970 4.591 4.460 4.664 . 0 0 "[ . 1 . 2]" 1 152 1 58 LEU HA 1 59 ARG H 3.130 . 3.130 2.304 2.108 2.504 . 0 0 "[ . 1 . 2]" 1 153 1 62 VAL HB 1 63 PHE H 5.070 . 5.070 4.188 2.190 4.531 . 0 0 "[ . 1 . 2]" 1 154 1 29 SER HA 1 30 GLN H 3.570 . 3.570 3.523 3.440 3.575 0.005 1 0 "[ . 1 . 2]" 1 155 1 6 ILE HB 1 7 ALA H 3.740 . 3.740 2.864 2.663 3.173 . 0 0 "[ . 1 . 2]" 1 156 1 14 VAL H 1 16 ALA H 5.800 . 5.800 4.118 3.913 4.363 . 0 0 "[ . 1 . 2]" 1 157 1 13 SER H 1 16 ALA H 5.390 . 5.390 4.291 3.909 4.560 . 0 0 "[ . 1 . 2]" 1 158 1 13 SER HA 1 16 ALA H 5.760 . 5.760 4.727 4.581 4.925 . 0 0 "[ . 1 . 2]" 1 159 1 14 VAL HA 1 16 ALA H 5.850 . 5.850 4.332 4.106 4.640 . 0 0 "[ . 1 . 2]" 1 160 1 26 SER H 1 27 ALA H 3.200 . 3.200 2.625 2.524 2.745 . 0 0 "[ . 1 . 2]" 1 161 1 25 GLN HA 1 27 ALA H 5.370 . 5.370 4.189 4.033 4.470 . 0 0 "[ . 1 . 2]" 1 162 1 24 ASN HB2 1 27 ALA H 5.050 . 5.050 3.660 2.129 4.497 . 0 0 "[ . 1 . 2]" 1 163 1 53 VAL H 1 54 GLU H 5.380 . 5.380 4.287 4.161 4.382 . 0 0 "[ . 1 . 2]" 1 164 1 53 VAL HA 1 54 GLU H 3.080 . 3.080 2.276 2.145 2.386 . 0 0 "[ . 1 . 2]" 1 165 1 54 GLU HA 1 55 CYS H 3.020 . 3.020 2.190 2.126 2.290 . 0 0 "[ . 1 . 2]" 1 166 1 55 CYS H 1 55 CYS HB3 3.790 . 3.790 2.496 2.280 2.887 . 0 0 "[ . 1 . 2]" 1 167 1 55 CYS H 1 55 CYS HB2 3.790 . 3.790 2.795 2.488 3.628 . 0 0 "[ . 1 . 2]" 1 168 1 27 ALA HA 1 31 TRP HE1 5.070 . 5.070 4.662 4.388 5.091 0.021 2 0 "[ . 1 . 2]" 1 169 1 31 TRP HE1 1 38 PRO HG3 4.470 . 4.470 3.434 3.068 3.835 . 0 0 "[ . 1 . 2]" 1 170 1 31 TRP HE1 1 38 PRO HG2 4.470 . 4.470 3.071 2.653 4.542 0.072 19 0 "[ . 1 . 2]" 1 171 1 55 CYS HA 1 56 ARG H 3.000 . 3.000 2.238 2.167 2.301 . 0 0 "[ . 1 . 2]" 1 172 1 6 ILE H 1 7 ALA H 3.550 . 3.550 2.573 2.416 2.703 . 0 0 "[ . 1 . 2]" 1 173 1 13 SER HA 1 15 SER H 4.650 . 4.650 4.089 3.941 4.281 . 0 0 "[ . 1 . 2]" 1 174 1 15 SER H 1 16 ALA H 3.840 . 3.840 2.653 2.576 2.735 . 0 0 "[ . 1 . 2]" 1 175 1 20 ALA H 1 21 LEU H 3.610 . 3.610 2.515 2.387 2.630 . 0 0 "[ . 1 . 2]" 1 176 1 29 SER H 1 30 GLN H 3.650 . 3.650 2.682 2.619 2.765 . 0 0 "[ . 1 . 2]" 1 177 1 54 GLU H 1 55 CYS H 4.930 . 4.930 4.442 4.172 4.606 . 0 0 "[ . 1 . 2]" 1 178 1 37 VAL H 1 58 LEU H 4.830 . 4.830 4.218 3.744 4.600 . 0 0 "[ . 1 . 2]" 1 179 1 4 ILE H 1 4 ILE MD 3.380 . 3.380 1.550 1.504 1.654 . 0 0 "[ . 1 . 2]" 1 180 1 62 VAL H 1 63 PHE H 4.540 . 4.540 3.137 1.864 4.234 . 0 0 "[ . 1 . 2]" 1 181 1 41 ARG HA 1 41 ARG HE 3.530 . 3.530 1.894 1.543 2.360 . 0 0 "[ . 1 . 2]" 1 182 1 41 ARG HE 1 44 ASP H 3.540 . 3.540 3.729 3.624 3.826 0.286 6 0 "[ . 1 . 2]" 1 183 1 32 ARG HE 1 32 ARG HG3 3.740 . 3.740 3.118 2.297 3.763 0.023 1 0 "[ . 1 . 2]" 1 184 1 8 ILE MD 1 32 ARG HE 4.200 . 4.200 3.177 2.206 4.062 . 0 0 "[ . 1 . 2]" 1 185 1 15 SER HA 1 25 GLN HE21 4.540 . 4.540 3.051 1.835 4.680 0.140 5 0 "[ . 1 . 2]" 1 186 1 15 SER HA 1 25 GLN HE22 4.830 . 4.830 3.862 2.921 4.921 0.091 7 0 "[ . 1 . 2]" 1 187 1 27 ALA HA 1 31 TRP H 4.540 . 4.540 4.262 4.075 4.463 . 0 0 "[ . 1 . 2]" 1 188 1 31 TRP H 1 32 ARG H 3.690 . 3.690 2.581 2.473 2.691 . 0 0 "[ . 1 . 2]" 1 189 1 31 TRP H 1 31 TRP HB2 3.860 . 3.860 2.467 2.411 2.526 . 0 0 "[ . 1 . 2]" 1 190 1 12 GLY H 1 13 SER H 3.710 . 3.710 2.779 2.396 3.021 . 0 0 "[ . 1 . 2]" 1 191 1 2 ASN HB2 1 2 ASN HD21 3.540 . 3.540 3.036 2.226 3.464 . 0 0 "[ . 1 . 2]" 1 192 1 2 ASN HD21 1 35 GLY HA2 4.090 . 4.090 2.538 1.520 3.567 . 0 0 "[ . 1 . 2]" 1 193 1 2 ASN HD21 1 35 GLY HA3 4.090 . 4.090 3.668 3.028 4.161 0.071 18 0 "[ . 1 . 2]" 1 194 1 2 ASN HD22 1 33 ALA HA 4.230 . 4.230 4.399 4.302 4.491 0.261 5 0 "[ . 1 . 2]" 1 195 1 2 ASN HD22 1 32 ARG HA 4.050 . 4.050 2.753 1.898 4.030 . 0 0 "[ . 1 . 2]" 1 196 1 2 ASN HB2 1 2 ASN HD22 3.870 . 3.870 3.836 3.498 4.026 0.156 19 0 "[ . 1 . 2]" 1 197 1 6 ILE HA 1 9 ASN HD21 5.000 . 5.000 2.898 1.755 5.035 0.035 14 0 "[ . 1 . 2]" 1 198 1 16 ALA H 1 18 ALA H 5.380 . 5.380 4.346 4.083 4.599 . 0 0 "[ . 1 . 2]" 1 199 1 40 GLY H 1 42 CYS H 4.910 . 4.910 3.860 3.034 4.344 . 0 0 "[ . 1 . 2]" 1 200 1 29 SER H 1 29 SER HB2 3.610 . 3.610 2.647 2.454 3.569 . 0 0 "[ . 1 . 2]" 1 201 1 32 ARG HE 1 32 ARG HG2 3.740 . 3.740 2.964 2.517 3.780 0.040 15 0 "[ . 1 . 2]" 1 202 1 64 GLY H 1 65 ALA H 4.390 . 4.390 3.226 1.861 4.402 0.012 10 0 "[ . 1 . 2]" 1 203 1 50 ASP HB2 1 51 GLY H 5.640 . 5.640 3.780 2.203 4.710 . 0 0 "[ . 1 . 2]" 1 204 1 5 ASP H 1 5 ASP HB3 4.020 . 4.020 2.495 2.328 2.680 . 0 0 "[ . 1 . 2]" 1 205 1 5 ASP H 1 5 ASP HB2 4.020 . 4.020 2.557 2.355 2.661 . 0 0 "[ . 1 . 2]" 1 206 1 10 LYS HA 1 12 GLY H 5.430 . 5.430 4.143 3.817 4.397 . 0 0 "[ . 1 . 2]" 1 207 1 11 LEU HB2 1 12 GLY H 4.700 . 4.700 3.280 2.945 3.691 . 0 0 "[ . 1 . 2]" 1 208 1 21 LEU HB3 1 22 GLY H 4.550 . 4.550 4.165 4.094 4.250 . 0 0 "[ . 1 . 2]" 1 209 1 21 LEU HB2 1 22 GLY H 4.550 . 4.550 3.397 3.263 3.572 . 0 0 "[ . 1 . 2]" 1 210 1 21 LEU H 1 22 GLY H 3.460 . 3.460 2.359 2.208 2.539 . 0 0 "[ . 1 . 2]" 1 211 1 20 ALA H 1 22 GLY H 4.900 . 4.900 3.874 3.757 3.964 . 0 0 "[ . 1 . 2]" 1 212 1 34 ARG H 1 36 ARG H 4.700 . 4.700 3.997 3.834 4.145 . 0 0 "[ . 1 . 2]" 1 213 1 50 ASP HB3 1 51 GLY H 5.640 . 5.640 3.493 2.140 4.508 . 0 0 "[ . 1 . 2]" 1 214 1 24 ASN HB3 1 27 ALA H 5.050 . 5.050 3.694 2.518 4.835 . 0 0 "[ . 1 . 2]" 1 215 1 57 GLU HG2 1 58 LEU H 6.000 . 6.000 4.817 4.703 4.962 . 0 0 "[ . 1 . 2]" 1 216 1 57 GLU HG3 1 58 LEU H 6.000 . 6.000 4.028 3.678 5.006 . 0 0 "[ . 1 . 2]" 1 217 1 42 CYS H 1 42 CYS HB3 3.580 . 3.580 2.768 2.371 3.579 . 0 0 "[ . 1 . 2]" 1 218 1 42 CYS H 1 42 CYS HB2 3.580 . 3.580 2.551 2.199 2.797 . 0 0 "[ . 1 . 2]" 1 219 1 17 LEU H 1 17 LEU HG 4.590 . 4.590 4.528 4.512 4.555 . 0 0 "[ . 1 . 2]" 1 220 1 15 SER HA 1 17 LEU H 5.220 . 5.220 4.498 4.346 4.669 . 0 0 "[ . 1 . 2]" 1 221 1 13 SER H 1 17 LEU H 5.230 . 5.230 4.222 3.893 4.494 . 0 0 "[ . 1 . 2]" 1 222 1 19 ALA H 1 20 ALA H 3.390 . 3.390 2.668 2.589 2.742 . 0 0 "[ . 1 . 2]" 1 223 1 7 ALA H 1 8 ILE H 3.630 . 3.630 2.604 2.527 2.710 . 0 0 "[ . 1 . 2]" 1 224 1 8 ILE H 1 9 ASN H 3.560 . 3.560 2.712 2.604 2.828 . 0 0 "[ . 1 . 2]" 1 225 1 6 ILE H 1 8 ILE H 4.980 . 4.980 4.041 3.887 4.185 . 0 0 "[ . 1 . 2]" 1 226 1 47 LEU HB3 1 48 TYR H 4.720 . 4.720 3.401 2.972 3.814 . 0 0 "[ . 1 . 2]" 1 227 1 10 LYS HB2 1 11 LEU H 4.070 . 4.070 3.754 3.547 3.967 . 0 0 "[ . 1 . 2]" 1 228 1 8 ILE H 1 8 ILE HB 3.180 . 3.180 2.571 2.468 2.661 . 0 0 "[ . 1 . 2]" 1 229 1 8 ILE H 1 10 LYS H 4.610 . 4.610 3.957 3.765 4.129 . 0 0 "[ . 1 . 2]" 1 230 1 42 CYS HB2 1 43 ILE H 4.610 . 4.610 3.922 3.295 4.308 . 0 0 "[ . 1 . 2]" 1 231 1 29 SER HB2 1 30 GLN H 4.150 . 4.150 3.193 2.585 4.011 . 0 0 "[ . 1 . 2]" 1 232 1 30 GLN H 1 32 ARG H 5.330 . 5.330 4.009 3.837 4.205 . 0 0 "[ . 1 . 2]" 1 233 1 28 ILE H 1 30 GLN H 5.770 . 5.770 4.020 3.747 4.231 . 0 0 "[ . 1 . 2]" 1 234 1 30 GLN H 1 31 TRP HD1 5.870 . 5.870 5.161 4.888 5.477 . 0 0 "[ . 1 . 2]" 1 235 1 27 ALA H 1 30 GLN H 5.810 . 5.810 4.778 4.567 5.014 . 0 0 "[ . 1 . 2]" 1 236 1 31 TRP HB2 1 32 ARG H 3.970 . 3.970 2.795 2.522 2.997 . 0 0 "[ . 1 . 2]" 1 237 1 10 LYS H 1 10 LYS HB2 3.510 . 3.510 2.422 2.247 2.610 . 0 0 "[ . 1 . 2]" 1 238 1 10 LYS H 1 10 LYS HB3 3.510 . 3.510 2.725 2.589 2.961 . 0 0 "[ . 1 . 2]" 1 239 1 21 LEU HB3 1 23 VAL H 5.080 . 5.080 4.107 3.814 4.400 . 0 0 "[ . 1 . 2]" 1 240 1 21 LEU HB2 1 23 VAL H 5.080 . 5.080 3.300 2.992 3.545 . 0 0 "[ . 1 . 2]" 1 241 1 34 ARG H 1 34 ARG HB2 3.470 . 3.470 2.560 2.359 2.716 . 0 0 "[ . 1 . 2]" 1 242 1 34 ARG H 1 34 ARG HB3 3.470 . 3.470 2.411 2.315 2.560 . 0 0 "[ . 1 . 2]" 1 243 1 34 ARG HG2 1 35 GLY H 4.550 . 4.550 4.602 4.104 4.770 0.220 17 0 "[ . 1 . 2]" 1 244 1 34 ARG HG3 1 35 GLY H 4.550 . 4.550 4.168 3.784 4.755 0.205 12 0 "[ . 1 . 2]" 1 245 1 34 ARG HB2 1 35 GLY H 4.110 . 4.110 3.914 3.761 4.012 . 0 0 "[ . 1 . 2]" 1 246 1 34 ARG HB3 1 35 GLY H 4.110 . 4.110 2.741 2.615 2.915 . 0 0 "[ . 1 . 2]" 1 247 1 34 ARG HG3 1 36 ARG H 4.000 . 4.000 3.164 2.409 4.112 0.112 19 0 "[ . 1 . 2]" 1 248 1 34 ARG HG2 1 36 ARG H 4.000 . 4.000 3.292 2.632 3.743 . 0 0 "[ . 1 . 2]" 1 249 1 34 ARG HB2 1 36 ARG H 4.160 . 4.160 4.116 3.925 4.228 0.068 1 0 "[ . 1 . 2]" 1 250 1 34 ARG HB3 1 36 ARG H 4.160 . 4.160 2.467 2.282 2.675 . 0 0 "[ . 1 . 2]" 1 251 1 2 ASN HB3 1 2 ASN HD21 3.540 . 3.540 2.281 2.156 3.027 . 0 0 "[ . 1 . 2]" 1 252 1 2 ASN HB3 1 2 ASN HD22 3.870 . 3.870 3.506 3.453 3.843 . 0 0 "[ . 1 . 2]" 1 253 1 2 ASN HB2 1 3 ALA H 3.620 . 3.620 2.549 2.059 3.721 0.101 17 0 "[ . 1 . 2]" 1 254 1 2 ASN HB3 1 4 ILE H 4.730 . 4.730 4.313 2.650 4.763 0.033 8 0 "[ . 1 . 2]" 1 255 1 2 ASN HB2 1 4 ILE H 4.730 . 4.730 3.094 2.688 3.343 . 0 0 "[ . 1 . 2]" 1 256 1 23 VAL H 1 24 ASN H 4.920 . 4.920 4.434 4.376 4.484 . 0 0 "[ . 1 . 2]" 1 257 1 24 ASN H 1 24 ASN HB2 3.960 . 3.960 3.016 2.284 3.742 . 0 0 "[ . 1 . 2]" 1 258 1 24 ASN HB2 1 25 GLN H 3.590 . 3.590 3.069 2.181 3.813 0.223 11 0 "[ . 1 . 2]" 1 259 1 33 ALA H 1 35 GLY H 5.230 . 5.230 3.940 3.757 4.154 . 0 0 "[ . 1 . 2]" 1 260 1 60 PRO HG2 1 61 ASP H 5.250 . 5.250 4.216 2.339 5.049 . 0 0 "[ . 1 . 2]" 1 261 1 60 PRO HG3 1 61 ASP H 5.250 . 5.250 5.177 3.863 5.715 0.465 15 0 "[ . 1 . 2]" 1 262 1 3 ALA H 1 55 CYS HA 5.260 . 5.260 4.219 3.196 4.802 . 0 0 "[ . 1 . 2]" 1 263 1 3 ALA H 1 5 ASP H 5.650 . 5.650 4.338 4.071 4.574 . 0 0 "[ . 1 . 2]" 1 264 1 3 ALA H 1 6 ILE HB 5.080 . 5.080 5.123 4.958 5.214 0.134 2 0 "[ . 1 . 2]" 1 265 1 3 ALA H 1 53 VAL HB 5.240 . 5.240 5.332 5.236 5.400 0.160 20 0 "[ . 1 . 2]" 1 266 1 2 ASN HA 1 4 ILE H 5.560 . 5.560 4.433 4.179 4.604 . 0 0 "[ . 1 . 2]" 1 267 1 4 ILE H 1 32 ARG HA 5.400 . 5.400 4.546 4.192 5.219 . 0 0 "[ . 1 . 2]" 1 268 1 4 ILE H 1 5 ASP HA 5.970 . 5.970 5.219 5.097 5.310 . 0 0 "[ . 1 . 2]" 1 269 1 7 ALA H 1 49 THR HB 6.000 . 6.000 5.660 5.240 6.020 0.020 11 0 "[ . 1 . 2]" 1 270 1 7 ALA H 1 49 THR HA 6.000 . 6.000 5.720 5.415 5.994 . 0 0 "[ . 1 . 2]" 1 271 1 4 ILE HA 1 7 ALA H 4.350 . 4.350 3.686 3.528 3.862 . 0 0 "[ . 1 . 2]" 1 272 1 25 GLN H 1 26 SER H 3.860 . 3.860 2.511 2.299 2.752 . 0 0 "[ . 1 . 2]" 1 273 1 24 ASN H 1 25 GLN H 4.760 . 4.760 4.535 4.502 4.578 . 0 0 "[ . 1 . 2]" 1 274 1 24 ASN H 1 25 GLN HE22 6.000 . 6.000 5.877 5.214 6.262 0.262 8 0 "[ . 1 . 2]" 1 275 1 11 LEU H 1 13 SER H 5.180 . 5.180 4.169 3.837 4.408 . 0 0 "[ . 1 . 2]" 1 276 1 24 ASN H 1 27 ALA H 5.580 . 5.580 3.931 3.698 4.318 . 0 0 "[ . 1 . 2]" 1 277 1 27 ALA H 1 29 SER H 5.380 . 5.380 4.212 4.014 4.469 . 0 0 "[ . 1 . 2]" 1 278 1 31 TRP H 1 31 TRP HE1 5.890 . 5.890 4.945 4.791 5.213 . 0 0 "[ . 1 . 2]" 1 279 1 31 TRP HE3 1 32 ARG H 5.670 . 5.670 5.414 5.088 5.669 . 0 0 "[ . 1 . 2]" 1 280 1 31 TRP HD1 1 32 ARG H 5.680 . 5.680 5.070 4.909 5.240 . 0 0 "[ . 1 . 2]" 1 281 1 32 ARG H 1 34 ARG H 5.180 . 5.180 3.725 3.512 3.975 . 0 0 "[ . 1 . 2]" 1 282 1 32 ARG H 1 35 GLY H 5.750 . 5.750 4.523 4.278 4.734 . 0 0 "[ . 1 . 2]" 1 283 1 2 ASN HD22 1 35 GLY H 4.960 . 4.960 3.787 2.740 4.674 . 0 0 "[ . 1 . 2]" 1 284 1 37 VAL H 1 56 ARG H 5.580 . 5.580 4.824 4.187 5.241 . 0 0 "[ . 1 . 2]" 1 285 1 45 ILE H 1 47 LEU H 5.510 . 5.510 4.189 3.918 4.404 . 0 0 "[ . 1 . 2]" 1 286 1 56 ARG H 1 57 GLU H 5.330 . 5.330 4.305 4.170 4.408 . 0 0 "[ . 1 . 2]" 1 287 1 57 GLU H 1 58 LEU H 4.950 . 4.950 4.486 4.422 4.546 . 0 0 "[ . 1 . 2]" 1 288 1 31 TRP HA 1 31 TRP HD1 3.510 . 3.510 2.348 2.274 2.456 . 0 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 368 _Distance_constraint_stats_list.Viol_count 579 _Distance_constraint_stats_list.Viol_total 1635.809 _Distance_constraint_stats_list.Viol_max 0.459 _Distance_constraint_stats_list.Viol_rms 0.0475 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0111 _Distance_constraint_stats_list.Viol_average_violations_only 0.1413 _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 1 MET 0.099 0.081 20 0 "[ . 1 . 2]" 1 2 ASN 0.302 0.095 10 0 "[ . 1 . 2]" 1 3 ALA 0.621 0.165 15 0 "[ . 1 . 2]" 1 4 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 6 ILE 0.669 0.136 20 0 "[ . 1 . 2]" 1 7 ALA 5.308 0.404 12 0 "[ . 1 . 2]" 1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 10 LYS 4.617 0.246 7 0 "[ . 1 . 2]" 1 11 LEU 5.308 0.404 12 0 "[ . 1 . 2]" 1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 VAL 8.303 0.422 17 0 "[ . 1 . 2]" 1 15 SER 2.423 0.225 9 0 "[ . 1 . 2]" 1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 LEU 18.182 0.422 17 0 "[ . 1 . 2]" 1 18 ALA 4.411 0.305 17 0 "[ . 1 . 2]" 1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 LEU 10.591 0.249 18 0 "[ . 1 . 2]" 1 22 GLY 2.370 0.190 6 0 "[ . 1 . 2]" 1 23 VAL 12.612 0.398 16 0 "[ . 1 . 2]" 1 24 ASN 0.655 0.195 13 0 "[ . 1 . 2]" 1 25 GLN 3.209 0.225 9 0 "[ . 1 . 2]" 1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 ILE 6.979 0.398 16 0 "[ . 1 . 2]" 1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 30 GLN 0.233 0.150 11 0 "[ . 1 . 2]" 1 31 TRP 8.458 0.325 20 0 "[ . 1 . 2]" 1 32 ARG 1.737 0.230 4 0 "[ . 1 . 2]" 1 33 ALA 0.040 0.040 14 0 "[ . 1 . 2]" 1 34 ARG 3.507 0.209 17 0 "[ . 1 . 2]" 1 35 GLY 0.568 0.140 11 0 "[ . 1 . 2]" 1 36 ARG 1.658 0.269 9 0 "[ . 1 . 2]" 1 37 VAL 1.563 0.178 9 0 "[ . 1 . 2]" 1 38 PRO 2.893 0.280 10 0 "[ . 1 . 2]" 1 39 ALA 1.837 0.197 5 0 "[ . 1 . 2]" 1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 ARG 3.236 0.264 7 0 "[ . 1 . 2]" 1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 ILE 1.871 0.264 7 0 "[ . 1 . 2]" 1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 45 ILE 4.571 0.248 8 0 "[ . 1 . 2]" 1 46 GLU 0.656 0.154 4 0 "[ . 1 . 2]" 1 47 LEU 3.558 0.420 18 0 "[ . 1 . 2]" 1 48 TYR 10.053 0.420 18 0 "[ . 1 . 2]" 1 49 THR 0.656 0.154 4 0 "[ . 1 . 2]" 1 50 ASP 0.766 0.136 20 0 "[ . 1 . 2]" 1 52 ARG 0.097 0.097 3 0 "[ . 1 . 2]" 1 53 VAL 1.203 0.164 15 0 "[ . 1 . 2]" 1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 55 CYS 0.724 0.164 15 0 "[ . 1 . 2]" 1 56 ARG 0.344 0.165 15 0 "[ . 1 . 2]" 1 57 GLU 1.432 0.178 9 0 "[ . 1 . 2]" 1 58 LEU 3.225 0.269 9 0 "[ . 1 . 2]" 1 59 ARG 7.378 0.459 12 0 "[ . 1 . 2]" 1 60 PRO 7.406 0.459 12 0 "[ . 1 . 2]" 1 61 ASP 1.361 0.196 19 0 "[ . 1 . 2]" 1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 63 PHE 0.082 0.072 20 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 28 ILE MD 1 28 ILE MG . . 3.710 2.015 1.987 2.039 . 0 0 "[ . 1 . 2]" 2 2 1 1 MET QB 1 6 ILE MD . . 4.610 2.957 1.939 4.553 . 0 0 "[ . 1 . 2]" 2 3 1 8 ILE MG 1 14 VAL MG2 . . 3.540 1.954 1.835 2.123 . 0 0 "[ . 1 . 2]" 2 4 1 8 ILE HA 1 8 ILE MG . . 3.720 2.506 2.447 2.573 . 0 0 "[ . 1 . 2]" 2 5 1 8 ILE MG 1 14 VAL HA . . 4.300 3.169 2.826 3.377 . 0 0 "[ . 1 . 2]" 2 6 1 8 ILE MG 1 13 SER HA . . 4.160 2.858 2.536 3.275 . 0 0 "[ . 1 . 2]" 2 7 1 6 ILE MD 1 6 ILE MG . . 3.720 2.101 2.018 2.210 . 0 0 "[ . 1 . 2]" 2 8 1 4 ILE HA 1 45 ILE MG . . 4.740 2.350 2.013 2.569 . 0 0 "[ . 1 . 2]" 2 9 1 42 CYS HA 1 45 ILE MG . . 4.140 3.730 3.381 3.964 . 0 0 "[ . 1 . 2]" 2 10 1 23 VAL MG2 1 28 ILE MD . . 3.640 2.047 1.991 2.127 . 0 0 "[ . 1 . 2]" 2 11 1 23 VAL MG2 1 31 TRP HH2 . . 4.420 2.700 2.351 2.917 . 0 0 "[ . 1 . 2]" 2 12 1 23 VAL MG2 1 31 TRP HZ2 . . 4.910 3.825 3.615 4.045 . 0 0 "[ . 1 . 2]" 2 13 1 23 VAL MG2 1 28 ILE MG . . 4.020 4.369 4.265 4.418 0.398 16 0 "[ . 1 . 2]" 2 14 1 14 VAL HA 1 28 ILE MG . . 4.350 3.085 2.772 3.360 . 0 0 "[ . 1 . 2]" 2 15 1 23 VAL MG1 1 31 TRP HH2 . . 4.000 1.862 1.462 2.153 . 0 0 "[ . 1 . 2]" 2 16 1 23 VAL MG1 1 31 TRP HZ2 . . 4.140 2.476 2.106 2.850 . 0 0 "[ . 1 . 2]" 2 17 1 3 ALA MB 1 53 VAL MG2 . . 3.650 3.061 2.155 3.682 0.032 7 0 "[ . 1 . 2]" 2 18 1 3 ALA MB 1 53 VAL MG1 . . 3.630 2.439 1.883 2.841 . 0 0 "[ . 1 . 2]" 2 19 1 4 ILE HA 1 4 ILE MG . . 3.660 2.408 2.368 2.444 . 0 0 "[ . 1 . 2]" 2 20 1 23 VAL MG1 1 31 TRP HE3 . . 4.910 5.152 5.071 5.235 0.325 20 0 "[ . 1 . 2]" 2 21 1 3 ALA HA 1 53 VAL MG2 . . 4.180 3.689 3.106 4.308 0.128 11 0 "[ . 1 . 2]" 2 22 1 3 ALA HA 1 53 VAL MG1 . . 4.000 2.004 1.746 2.282 . 0 0 "[ . 1 . 2]" 2 23 1 53 VAL HA 1 53 VAL MG2 . . 3.650 2.447 2.379 2.534 . 0 0 "[ . 1 . 2]" 2 24 1 53 VAL MG1 1 55 CYS HA . . 4.320 4.065 3.044 4.484 0.164 15 0 "[ . 1 . 2]" 2 25 1 53 VAL MG2 1 55 CYS HA . . 4.770 4.042 3.574 4.746 . 0 0 "[ . 1 . 2]" 2 26 1 2 ASN HA 1 53 VAL MG1 . . 4.330 3.730 3.037 4.425 0.095 10 0 "[ . 1 . 2]" 2 27 1 2 ASN HA 1 53 VAL MG2 . . 4.700 3.230 2.625 3.985 . 0 0 "[ . 1 . 2]" 2 28 1 14 VAL HA 1 14 VAL MG1 . . 3.440 2.643 2.560 2.736 . 0 0 "[ . 1 . 2]" 2 29 1 14 VAL MG1 1 15 SER HA . . 4.210 3.491 3.359 3.682 . 0 0 "[ . 1 . 2]" 2 30 1 14 VAL MG1 1 18 ALA MB . . 4.080 2.762 2.574 2.866 . 0 0 "[ . 1 . 2]" 2 31 1 37 VAL MG2 1 57 GLU HG3 . . 4.620 4.483 3.968 4.654 0.034 9 0 "[ . 1 . 2]" 2 32 1 37 VAL MG2 1 39 ALA HA . . 4.610 4.335 4.067 4.585 . 0 0 "[ . 1 . 2]" 2 33 1 7 ALA MB 1 11 LEU MD2 . . 3.830 4.061 3.146 4.234 0.404 12 0 "[ . 1 . 2]" 2 34 1 11 LEU HA 1 11 LEU MD2 . . 3.290 2.193 2.114 2.462 . 0 0 "[ . 1 . 2]" 2 35 1 11 LEU MD2 1 17 LEU HA . . 4.870 4.488 3.472 4.676 . 0 0 "[ . 1 . 2]" 2 36 1 11 LEU MD2 1 48 TYR QE . . 4.080 3.237 2.968 3.525 . 0 0 "[ . 1 . 2]" 2 37 1 11 LEU MD2 1 48 TYR QD . . 4.180 2.795 2.624 2.968 . 0 0 "[ . 1 . 2]" 2 38 1 11 LEU HA 1 11 LEU MD1 . . 4.350 3.713 2.280 3.843 . 0 0 "[ . 1 . 2]" 2 39 1 11 LEU MD1 1 48 TYR QE . . 4.560 2.893 2.661 4.170 . 0 0 "[ . 1 . 2]" 2 40 1 11 LEU MD1 1 48 TYR QD . . 4.740 3.387 3.054 4.583 . 0 0 "[ . 1 . 2]" 2 41 1 45 ILE MG 1 49 THR MG . . 3.270 2.412 2.176 3.034 . 0 0 "[ . 1 . 2]" 2 42 1 7 ALA MB 1 49 THR MG . . 3.550 2.476 2.194 2.830 . 0 0 "[ . 1 . 2]" 2 43 1 6 ILE HB 1 49 THR MG . . 3.720 2.069 1.921 2.318 . 0 0 "[ . 1 . 2]" 2 44 1 6 ILE MG 1 49 THR MG . . 3.590 2.087 1.855 2.296 . 0 0 "[ . 1 . 2]" 2 45 1 3 ALA HA 1 49 THR MG . . 4.090 2.198 1.830 2.562 . 0 0 "[ . 1 . 2]" 2 46 1 14 VAL MG2 1 17 LEU HG . . 4.740 5.041 4.957 5.162 0.422 17 0 "[ . 1 . 2]" 2 47 1 14 VAL MG2 1 28 ILE MG . . 3.000 2.153 1.929 2.426 . 0 0 "[ . 1 . 2]" 2 48 1 14 VAL HA 1 14 VAL MG2 . . 3.490 2.286 2.212 2.346 . 0 0 "[ . 1 . 2]" 2 49 1 21 LEU MD2 1 44 ASP QB . . 3.530 1.926 1.786 2.317 . 0 0 "[ . 1 . 2]" 2 50 1 21 LEU MD2 1 45 ILE HA . . 4.800 3.526 3.188 3.949 . 0 0 "[ . 1 . 2]" 2 51 1 21 LEU HA 1 21 LEU MD2 . . 3.440 2.035 1.997 2.097 . 0 0 "[ . 1 . 2]" 2 52 1 21 LEU MD2 1 31 TRP HH2 . . 4.470 4.432 4.052 4.590 0.120 11 0 "[ . 1 . 2]" 2 53 1 21 LEU MD2 1 48 TYR QD . . 4.690 3.906 3.485 4.413 . 0 0 "[ . 1 . 2]" 2 54 1 21 LEU MD1 1 28 ILE MD . . 3.950 1.872 1.821 1.947 . 0 0 "[ . 1 . 2]" 2 55 1 21 LEU MD1 1 45 ILE MG . . 3.860 4.037 3.924 4.108 0.248 8 0 "[ . 1 . 2]" 2 56 1 17 LEU HG 1 21 LEU MD1 . . 3.730 1.951 1.897 2.008 . 0 0 "[ . 1 . 2]" 2 57 1 21 LEU MD1 1 44 ASP QB . . 4.600 3.985 3.841 4.569 . 0 0 "[ . 1 . 2]" 2 58 1 21 LEU HA 1 21 LEU MD1 . . 4.650 3.905 3.874 3.939 . 0 0 "[ . 1 . 2]" 2 59 1 21 LEU MD1 1 31 TRP HH2 . . 4.360 3.681 3.542 3.980 . 0 0 "[ . 1 . 2]" 2 60 1 17 LEU MD2 1 28 ILE MD . . 3.960 2.541 2.216 2.726 . 0 0 "[ . 1 . 2]" 2 61 1 17 LEU HB3 1 17 LEU MD2 . . 3.630 2.388 2.358 2.413 . 0 0 "[ . 1 . 2]" 2 62 1 8 ILE HA 1 17 LEU MD2 . . 4.460 2.508 2.205 2.809 . 0 0 "[ . 1 . 2]" 2 63 1 58 LEU HA 1 58 LEU MD2 . . 3.360 2.132 2.012 2.314 . 0 0 "[ . 1 . 2]" 2 64 1 36 ARG QG 1 58 LEU MD2 . . 3.300 2.852 2.034 3.360 0.060 10 0 "[ . 1 . 2]" 2 65 1 37 VAL MG1 1 45 ILE MD . . 3.230 1.775 1.611 2.008 . 0 0 "[ . 1 . 2]" 2 66 1 37 VAL HA 1 37 VAL MG1 . . 3.610 2.399 2.339 2.510 . 0 0 "[ . 1 . 2]" 2 67 1 36 ARG HA 1 37 VAL MG1 . . 4.800 3.603 3.343 3.807 . 0 0 "[ . 1 . 2]" 2 68 1 31 TRP HE3 1 37 VAL MG1 . . 3.940 2.569 2.305 2.761 . 0 0 "[ . 1 . 2]" 2 69 1 17 LEU MD1 1 48 TYR QD . . 4.300 2.347 2.219 2.488 . 0 0 "[ . 1 . 2]" 2 70 1 17 LEU MD1 1 48 TYR QE . . 4.830 2.390 2.238 2.592 . 0 0 "[ . 1 . 2]" 2 71 1 17 LEU HA 1 17 LEU MD1 . . 3.440 2.089 2.044 2.122 . 0 0 "[ . 1 . 2]" 2 72 1 17 LEU MD1 1 21 LEU HG . . 4.220 2.619 2.476 2.822 . 0 0 "[ . 1 . 2]" 2 73 1 11 LEU MD1 1 17 LEU MD1 . . 3.630 2.246 2.026 3.495 . 0 0 "[ . 1 . 2]" 2 74 1 36 ARG QG 1 58 LEU MD1 . . 3.320 3.174 2.578 3.589 0.269 9 0 "[ . 1 . 2]" 2 75 1 58 LEU HA 1 58 LEU MD1 . . 4.550 3.935 3.899 3.976 . 0 0 "[ . 1 . 2]" 2 76 1 23 VAL MG2 1 27 ALA MB . . 3.870 2.501 2.363 2.757 . 0 0 "[ . 1 . 2]" 2 77 1 23 VAL HB 1 27 ALA MB . . 3.740 2.270 2.025 2.784 . 0 0 "[ . 1 . 2]" 2 78 1 39 ALA MB 1 59 ARG HA . . 4.940 3.305 2.527 3.901 . 0 0 "[ . 1 . 2]" 2 79 1 17 LEU MD2 1 18 ALA MB . . 4.320 4.519 4.385 4.625 0.305 17 0 "[ . 1 . 2]" 2 80 1 18 ALA MB 1 23 VAL MG2 . . 4.040 2.324 2.113 2.498 . 0 0 "[ . 1 . 2]" 2 81 1 18 ALA MB 1 28 ILE MD . . 4.410 2.831 2.627 3.091 . 0 0 "[ . 1 . 2]" 2 82 1 18 ALA MB 1 25 GLN HG3 . . 4.570 2.979 2.237 4.535 . 0 0 "[ . 1 . 2]" 2 83 1 18 ALA MB 1 19 ALA HA . . 4.750 3.992 3.952 4.070 . 0 0 "[ . 1 . 2]" 2 84 1 3 ALA MB 1 55 CYS HA . . 3.530 2.123 1.869 2.490 . 0 0 "[ . 1 . 2]" 2 85 1 30 GLN QB 1 33 ALA MB . . 4.850 4.422 3.859 4.890 0.040 14 0 "[ . 1 . 2]" 2 86 1 7 ALA MB 1 17 LEU MD2 . . 3.260 2.347 2.238 2.448 . 0 0 "[ . 1 . 2]" 2 87 1 7 ALA MB 1 17 LEU MD1 . . 3.780 2.058 1.987 2.175 . 0 0 "[ . 1 . 2]" 2 88 1 7 ALA MB 1 48 TYR HB3 . . 4.270 3.099 2.776 3.373 . 0 0 "[ . 1 . 2]" 2 89 1 7 ALA MB 1 48 TYR QD . . 4.190 1.804 1.643 1.957 . 0 0 "[ . 1 . 2]" 2 90 1 39 ALA MB 1 57 GLU QB . . 4.420 3.924 3.430 4.271 . 0 0 "[ . 1 . 2]" 2 91 1 36 ARG HD3 1 58 LEU MD2 . . 4.280 2.986 1.787 3.871 . 0 0 "[ . 1 . 2]" 2 92 1 31 TRP HB3 1 37 VAL MG1 . . 4.090 2.120 1.821 2.806 . 0 0 "[ . 1 . 2]" 2 93 1 31 TRP HZ3 1 37 VAL MG1 . . 5.330 3.705 3.432 4.034 . 0 0 "[ . 1 . 2]" 2 94 1 21 LEU MD1 1 31 TRP HE3 . . 5.140 3.054 2.819 3.339 . 0 0 "[ . 1 . 2]" 2 95 1 21 LEU MD1 1 48 TYR QD . . 5.230 4.109 3.881 4.345 . 0 0 "[ . 1 . 2]" 2 96 1 21 LEU MD2 1 31 TRP HZ3 . . 3.690 3.428 3.057 3.671 . 0 0 "[ . 1 . 2]" 2 97 1 21 LEU MD2 1 48 TYR QE . . 3.780 2.610 2.232 3.177 . 0 0 "[ . 1 . 2]" 2 98 1 21 LEU MD1 1 31 TRP HZ3 . . 3.620 1.706 1.597 1.863 . 0 0 "[ . 1 . 2]" 2 99 1 21 LEU MD1 1 48 TYR QE . . 3.630 3.590 3.278 3.705 0.075 18 0 "[ . 1 . 2]" 2 100 1 45 ILE MG 1 48 TYR QD . . 5.300 3.648 3.324 3.855 . 0 0 "[ . 1 . 2]" 2 101 1 23 VAL MG2 1 31 TRP HZ3 . . 5.180 2.909 2.604 3.182 . 0 0 "[ . 1 . 2]" 2 102 1 4 ILE MG 1 31 TRP HB3 . . 4.610 2.819 2.308 3.179 . 0 0 "[ . 1 . 2]" 2 103 1 7 ALA HA 1 49 THR MG . . 4.580 3.291 2.931 3.735 . 0 0 "[ . 1 . 2]" 2 104 1 1 MET HA 1 1 MET QG . . 3.980 2.671 2.429 3.558 . 0 0 "[ . 1 . 2]" 2 105 1 3 ALA MB 1 56 ARG QD . . 4.870 4.230 3.336 5.035 0.165 15 0 "[ . 1 . 2]" 2 106 1 4 ILE HA 1 7 ALA MB . . 4.090 2.873 2.610 3.023 . 0 0 "[ . 1 . 2]" 2 107 1 6 ILE HA 1 9 ASN QB . . 4.240 2.690 2.085 3.098 . 0 0 "[ . 1 . 2]" 2 108 1 15 SER HA 1 25 GLN QB . . 4.630 4.183 3.462 4.447 . 0 0 "[ . 1 . 2]" 2 109 1 15 SER HA 1 18 ALA MB . . 3.600 3.141 2.874 3.346 . 0 0 "[ . 1 . 2]" 2 110 1 15 SER QB 1 25 GLN QB . . 4.500 4.599 4.500 4.725 0.225 9 0 "[ . 1 . 2]" 2 111 1 15 SER QB 1 18 ALA MB . . 4.720 4.633 4.338 4.854 0.134 9 0 "[ . 1 . 2]" 2 112 1 14 VAL MG1 1 15 SER QB . . 4.790 4.360 4.164 4.714 . 0 0 "[ . 1 . 2]" 2 113 1 11 LEU MD1 1 17 LEU HA . . 3.470 1.700 1.499 2.950 . 0 0 "[ . 1 . 2]" 2 114 1 18 ALA HA 1 23 VAL MG2 . . 3.570 2.330 2.225 2.484 . 0 0 "[ . 1 . 2]" 2 115 1 21 LEU HB3 1 23 VAL MG2 . . 3.980 2.743 2.601 2.871 . 0 0 "[ . 1 . 2]" 2 116 1 23 VAL HA 1 23 VAL MG1 . . 3.410 2.407 2.350 2.448 . 0 0 "[ . 1 . 2]" 2 117 1 18 ALA MB 1 24 ASN HA . . 4.340 3.135 2.651 3.505 . 0 0 "[ . 1 . 2]" 2 118 1 14 VAL MG1 1 25 GLN HA . . 4.300 2.233 1.999 2.403 . 0 0 "[ . 1 . 2]" 2 119 1 18 ALA MB 1 25 GLN HA . . 3.740 2.433 2.201 2.616 . 0 0 "[ . 1 . 2]" 2 120 1 27 ALA HA 1 30 GLN QB . . 3.900 2.662 2.340 3.197 . 0 0 "[ . 1 . 2]" 2 121 1 30 GLN HA 1 33 ALA MB . . 4.030 2.730 2.279 3.148 . 0 0 "[ . 1 . 2]" 2 122 1 30 GLN QB 1 31 TRP HD1 . . 3.770 3.298 2.904 3.814 0.044 11 0 "[ . 1 . 2]" 2 123 1 36 ARG HB3 1 58 LEU MD1 . . 5.020 3.950 2.445 5.202 0.182 17 0 "[ . 1 . 2]" 2 124 1 36 ARG HB3 1 58 LEU MD2 . . 4.890 3.726 2.309 4.493 . 0 0 "[ . 1 . 2]" 2 125 1 38 PRO HA 1 58 LEU MD1 . . 4.420 2.563 1.940 3.606 . 0 0 "[ . 1 . 2]" 2 126 1 37 VAL MG1 1 38 PRO HD3 . . 5.340 3.895 3.613 4.263 . 0 0 "[ . 1 . 2]" 2 127 1 39 ALA HA 1 57 GLU QB . . 3.650 2.370 1.765 2.836 . 0 0 "[ . 1 . 2]" 2 128 1 41 ARG HA 1 43 ILE MG . . 5.320 5.412 5.286 5.584 0.264 7 0 "[ . 1 . 2]" 2 129 1 37 VAL MG2 1 42 CYS HA . . 4.490 2.665 2.236 3.183 . 0 0 "[ . 1 . 2]" 2 130 1 43 ILE HA 1 46 GLU QB . . 4.130 2.988 2.575 3.467 . 0 0 "[ . 1 . 2]" 2 131 1 45 ILE HA 1 48 TYR QD . . 4.090 2.305 2.025 2.534 . 0 0 "[ . 1 . 2]" 2 132 1 45 ILE HA 1 48 TYR QE . . 5.130 3.450 3.226 3.663 . 0 0 "[ . 1 . 2]" 2 133 1 46 GLU HA 1 49 THR MG . . 4.200 3.552 3.152 3.815 . 0 0 "[ . 1 . 2]" 2 134 1 47 LEU HA 1 48 TYR QD . . 5.330 4.878 4.520 5.220 . 0 0 "[ . 1 . 2]" 2 135 1 6 ILE MG 1 49 THR HB . . 3.620 3.220 2.905 3.547 . 0 0 "[ . 1 . 2]" 2 136 1 37 VAL MG2 1 57 GLU HA . . 4.080 2.253 1.973 2.518 . 0 0 "[ . 1 . 2]" 2 137 1 60 PRO HA 1 63 PHE QD . . 5.400 4.431 2.592 5.472 0.072 20 0 "[ . 1 . 2]" 2 138 1 39 ALA MB 1 60 PRO HA . . 4.280 2.643 2.180 3.265 . 0 0 "[ . 1 . 2]" 2 139 1 49 THR H 1 49 THR MG . . 3.760 2.687 2.445 3.011 . 0 0 "[ . 1 . 2]" 2 140 1 8 ILE MG 1 13 SER H . . 4.590 3.896 3.524 4.420 . 0 0 "[ . 1 . 2]" 2 141 1 13 SER H 1 16 ALA MB . . 3.970 2.996 2.405 3.413 . 0 0 "[ . 1 . 2]" 2 142 1 19 ALA MB 1 22 GLY H . . 4.970 4.634 4.526 4.798 . 0 0 "[ . 1 . 2]" 2 143 1 21 LEU MD1 1 22 GLY H . . 5.060 5.178 5.046 5.250 0.190 6 0 "[ . 1 . 2]" 2 144 1 22 GLY H 1 23 VAL MG2 . . 5.300 3.806 3.676 3.971 . 0 0 "[ . 1 . 2]" 2 145 1 40 GLY H 1 57 GLU QB . . 4.410 2.973 2.490 3.418 . 0 0 "[ . 1 . 2]" 2 146 1 39 ALA MB 1 40 GLY H . . 3.710 3.014 2.674 3.373 . 0 0 "[ . 1 . 2]" 2 147 1 23 VAL H 1 23 VAL MG2 . . 3.610 2.207 2.108 2.371 . 0 0 "[ . 1 . 2]" 2 148 1 23 VAL H 1 23 VAL MG1 . . 4.150 2.957 2.721 3.136 . 0 0 "[ . 1 . 2]" 2 149 1 18 ALA MB 1 23 VAL H . . 5.130 3.484 3.303 3.712 . 0 0 "[ . 1 . 2]" 2 150 1 28 ILE H 1 28 ILE MG . . 4.260 3.803 3.788 3.827 . 0 0 "[ . 1 . 2]" 2 151 1 23 VAL MG2 1 28 ILE H . . 4.680 3.529 3.306 3.896 . 0 0 "[ . 1 . 2]" 2 152 1 14 VAL MG2 1 15 SER H . . 4.780 4.132 4.060 4.213 . 0 0 "[ . 1 . 2]" 2 153 1 14 VAL MG1 1 15 SER H . . 4.320 3.494 3.275 3.691 . 0 0 "[ . 1 . 2]" 2 154 1 26 SER H 1 26 SER QB . . 2.880 2.434 2.240 2.672 . 0 0 "[ . 1 . 2]" 2 155 1 25 GLN QB 1 26 SER H . . 3.310 2.802 2.609 2.938 . 0 0 "[ . 1 . 2]" 2 156 1 37 VAL MG2 1 41 ARG H . . 4.490 3.507 3.139 4.053 . 0 0 "[ . 1 . 2]" 2 157 1 3 ALA MB 1 4 ILE H . . 3.470 2.605 2.471 2.995 . 0 0 "[ . 1 . 2]" 2 158 1 33 ALA MB 1 34 ARG H . . 3.730 2.892 2.683 3.143 . 0 0 "[ . 1 . 2]" 2 159 1 21 LEU H 1 22 GLY QA . . 4.630 4.295 4.156 4.456 . 0 0 "[ . 1 . 2]" 2 160 1 20 ALA MB 1 21 LEU H . . 3.610 2.768 2.555 2.968 . 0 0 "[ . 1 . 2]" 2 161 1 21 LEU H 1 23 VAL MG2 . . 5.180 3.878 3.736 4.043 . 0 0 "[ . 1 . 2]" 2 162 1 17 LEU MD1 1 21 LEU H . . 5.370 4.275 4.067 4.445 . 0 0 "[ . 1 . 2]" 2 163 1 24 ASN H 1 27 ALA MB . . 4.120 2.701 2.324 3.076 . 0 0 "[ . 1 . 2]" 2 164 1 23 VAL MG1 1 24 ASN H . . 4.330 3.622 3.450 3.720 . 0 0 "[ . 1 . 2]" 2 165 1 23 VAL MG2 1 24 ASN H . . 4.190 3.143 2.917 3.279 . 0 0 "[ . 1 . 2]" 2 166 1 11 LEU H 1 11 LEU MD2 . . 4.370 2.865 2.224 3.108 . 0 0 "[ . 1 . 2]" 2 167 1 11 LEU H 1 11 LEU MD1 . . 5.010 4.067 3.918 4.174 . 0 0 "[ . 1 . 2]" 2 168 1 9 ASN H 1 9 ASN QB . . 3.300 2.405 2.210 2.528 . 0 0 "[ . 1 . 2]" 2 169 1 32 ARG H 1 32 ARG QB . . 3.080 2.260 2.189 2.379 . 0 0 "[ . 1 . 2]" 2 170 1 4 ILE MG 1 32 ARG H . . 4.200 3.043 2.729 3.588 . 0 0 "[ . 1 . 2]" 2 171 1 28 ILE MG 1 32 ARG H . . 4.730 4.117 3.973 4.323 . 0 0 "[ . 1 . 2]" 2 172 1 7 ALA MB 1 8 ILE H . . 3.770 2.736 2.617 2.854 . 0 0 "[ . 1 . 2]" 2 173 1 43 ILE H 1 43 ILE MG . . 3.890 3.799 3.767 3.826 . 0 0 "[ . 1 . 2]" 2 174 1 44 ASP QB 1 45 ILE H . . 3.630 2.444 2.332 2.806 . 0 0 "[ . 1 . 2]" 2 175 1 18 ALA MB 1 19 ALA H . . 3.630 2.637 2.496 2.764 . 0 0 "[ . 1 . 2]" 2 176 1 19 ALA H 1 19 ALA MB . . 3.290 2.242 2.226 2.257 . 0 0 "[ . 1 . 2]" 2 177 1 6 ILE H 1 6 ILE MG . . 4.440 3.800 3.744 3.831 . 0 0 "[ . 1 . 2]" 2 178 1 46 GLU QB 1 47 LEU H . . 4.300 2.820 2.591 3.049 . 0 0 "[ . 1 . 2]" 2 179 1 3 ALA H 1 3 ALA MB . . 3.260 2.219 2.186 2.240 . 0 0 "[ . 1 . 2]" 2 180 1 49 THR MG 1 50 ASP H . . 4.930 4.328 4.235 4.413 . 0 0 "[ . 1 . 2]" 2 181 1 6 ILE MG 1 50 ASP H . . 4.900 4.834 4.209 5.036 0.136 20 0 "[ . 1 . 2]" 2 182 1 44 ASP H 1 44 ASP QB . . 3.350 2.591 2.287 2.716 . 0 0 "[ . 1 . 2]" 2 183 1 57 GLU H 1 57 GLU QB . . 3.320 3.015 2.859 3.160 . 0 0 "[ . 1 . 2]" 2 184 1 32 ARG QB 1 33 ALA H . . 3.600 2.649 2.241 3.576 . 0 0 "[ . 1 . 2]" 2 185 1 33 ALA H 1 33 ALA MB . . 3.280 2.266 2.240 2.302 . 0 0 "[ . 1 . 2]" 2 186 1 17 LEU H 1 17 LEU MD2 . . 4.600 4.369 4.328 4.419 . 0 0 "[ . 1 . 2]" 2 187 1 17 LEU H 1 17 LEU MD1 . . 4.700 4.161 4.115 4.191 . 0 0 "[ . 1 . 2]" 2 188 1 16 ALA MB 1 17 LEU H . . 3.610 2.616 2.513 2.760 . 0 0 "[ . 1 . 2]" 2 189 1 61 ASP H 1 61 ASP QB . . 3.790 2.433 2.202 3.350 . 0 0 "[ . 1 . 2]" 2 190 1 9 ASN QB 1 10 LYS H . . 3.890 2.792 2.562 3.026 . 0 0 "[ . 1 . 2]" 2 191 1 20 ALA H 1 20 ALA MB . . 3.120 2.254 2.237 2.280 . 0 0 "[ . 1 . 2]" 2 192 1 11 LEU MD1 1 20 ALA H . . 5.680 4.062 3.757 4.423 . 0 0 "[ . 1 . 2]" 2 193 1 17 LEU MD1 1 20 ALA H . . 5.830 4.580 4.450 4.682 . 0 0 "[ . 1 . 2]" 2 194 1 20 ALA H 1 21 LEU MD1 . . 6.000 5.223 5.070 5.356 . 0 0 "[ . 1 . 2]" 2 195 1 18 ALA MB 1 20 ALA H . . 5.230 4.549 4.444 4.681 . 0 0 "[ . 1 . 2]" 2 196 1 25 GLN H 1 25 GLN QB . . 3.010 2.448 2.322 2.841 . 0 0 "[ . 1 . 2]" 2 197 1 18 ALA MB 1 25 GLN H . . 3.970 3.501 3.335 3.777 . 0 0 "[ . 1 . 2]" 2 198 1 30 GLN QB 1 31 TRP H . . 3.530 2.593 2.325 2.838 . 0 0 "[ . 1 . 2]" 2 199 1 18 ALA H 1 18 ALA MB . . 3.280 2.220 2.190 2.254 . 0 0 "[ . 1 . 2]" 2 200 1 18 ALA H 1 28 ILE MG . . 4.870 4.387 4.181 4.590 . 0 0 "[ . 1 . 2]" 2 201 1 18 ALA H 1 23 VAL MG2 . . 5.610 4.529 4.304 4.689 . 0 0 "[ . 1 . 2]" 2 202 1 14 VAL H 1 14 VAL MG2 . . 3.290 2.571 2.402 2.745 . 0 0 "[ . 1 . 2]" 2 203 1 14 VAL H 1 14 VAL MG1 . . 4.060 3.730 3.684 3.780 . 0 0 "[ . 1 . 2]" 2 204 1 8 ILE MG 1 14 VAL H . . 4.090 2.993 2.817 3.193 . 0 0 "[ . 1 . 2]" 2 205 1 39 ALA H 1 39 ALA MB . . 3.250 2.217 2.193 2.238 . 0 0 "[ . 1 . 2]" 2 206 1 39 ALA H 1 58 LEU MD1 . . 5.050 4.311 3.683 5.171 0.121 2 0 "[ . 1 . 2]" 2 207 1 58 LEU MD2 1 59 ARG H . . 4.240 3.505 3.245 3.851 . 0 0 "[ . 1 . 2]" 2 208 1 57 GLU QB 1 58 LEU H . . 4.260 2.417 2.272 2.659 . 0 0 "[ . 1 . 2]" 2 209 1 39 ALA MB 1 58 LEU H . . 4.200 4.254 3.947 4.397 0.197 5 0 "[ . 1 . 2]" 2 210 1 63 PHE H 1 63 PHE QD . . 5.290 3.650 2.213 4.519 . 0 0 "[ . 1 . 2]" 2 211 1 30 GLN H 1 30 GLN QB . . 3.210 2.313 2.173 2.569 . 0 0 "[ . 1 . 2]" 2 212 1 30 GLN H 1 32 ARG QB . . 5.230 4.837 4.568 5.380 0.150 11 0 "[ . 1 . 2]" 2 213 1 27 ALA MB 1 30 GLN H . . 5.650 4.611 4.442 4.696 . 0 0 "[ . 1 . 2]" 2 214 1 7 ALA H 1 7 ALA MB . . 3.340 2.272 2.247 2.310 . 0 0 "[ . 1 . 2]" 2 215 1 6 ILE MG 1 7 ALA H . . 4.390 3.546 3.328 3.796 . 0 0 "[ . 1 . 2]" 2 216 1 16 ALA H 1 16 ALA MB . . 3.330 2.271 2.244 2.298 . 0 0 "[ . 1 . 2]" 2 217 1 27 ALA H 1 27 ALA MB . . 3.320 2.270 2.249 2.289 . 0 0 "[ . 1 . 2]" 2 218 1 54 GLU H 1 54 GLU QG . . 4.540 3.262 1.930 4.060 . 0 0 "[ . 1 . 2]" 2 219 1 54 GLU H 1 54 GLU QB . . 3.240 2.381 2.185 2.622 . 0 0 "[ . 1 . 2]" 2 220 1 53 VAL MG2 1 54 GLU H . . 3.900 2.343 2.064 2.696 . 0 0 "[ . 1 . 2]" 2 221 1 54 GLU QG 1 55 CYS H . . 4.600 3.774 2.621 4.515 . 0 0 "[ . 1 . 2]" 2 222 1 54 GLU QB 1 55 CYS H . . 4.040 3.604 2.798 3.996 . 0 0 "[ . 1 . 2]" 2 223 1 3 ALA MB 1 55 CYS H . . 4.930 3.756 3.291 4.065 . 0 0 "[ . 1 . 2]" 2 224 1 27 ALA MB 1 31 TRP HE1 . . 4.130 3.510 3.168 3.973 . 0 0 "[ . 1 . 2]" 2 225 1 3 ALA MB 1 56 ARG H . . 4.380 3.333 2.842 4.008 . 0 0 "[ . 1 . 2]" 2 226 1 56 ARG H 1 56 ARG QD . . 4.570 2.844 1.868 4.410 . 0 0 "[ . 1 . 2]" 2 227 1 32 ARG QB 1 32 ARG HE . . 3.730 2.718 2.016 3.960 0.230 4 0 "[ . 1 . 2]" 2 228 1 31 TRP H 1 32 ARG QB . . 4.900 4.332 4.188 4.569 . 0 0 "[ . 1 . 2]" 2 229 1 29 SER H 1 29 SER QB . . 3.610 2.444 2.226 2.685 . 0 0 "[ . 1 . 2]" 2 230 1 29 SER H 1 30 GLN QB . . 5.530 4.522 4.287 4.909 . 0 0 "[ . 1 . 2]" 2 231 1 37 VAL H 1 37 VAL MG2 . . 3.300 2.130 1.996 2.283 . 0 0 "[ . 1 . 2]" 2 232 1 59 ARG H 1 59 ARG QD . . 5.750 3.411 1.601 4.461 . 0 0 "[ . 1 . 2]" 2 233 1 62 VAL H 1 62 VAL MG2 . . 4.130 2.464 2.012 4.036 . 0 0 "[ . 1 . 2]" 2 234 1 28 ILE MG 1 29 SER H . . 4.400 3.425 3.270 3.595 . 0 0 "[ . 1 . 2]" 2 235 1 14 VAL MG1 1 29 SER H . . 4.460 3.546 3.165 3.832 . 0 0 "[ . 1 . 2]" 2 236 1 48 TYR H 1 49 THR MG . . 4.600 3.929 3.748 4.110 . 0 0 "[ . 1 . 2]" 2 237 1 45 ILE H 1 45 ILE MG . . 3.890 3.791 3.753 3.825 . 0 0 "[ . 1 . 2]" 2 238 1 29 SER QB 1 30 GLN H . . 4.150 2.751 2.543 3.545 . 0 0 "[ . 1 . 2]" 2 239 1 21 LEU H 1 21 LEU MD2 . . 4.110 3.633 3.429 3.869 . 0 0 "[ . 1 . 2]" 2 240 1 21 LEU H 1 21 LEU MD1 . . 4.110 3.791 3.633 3.892 . 0 0 "[ . 1 . 2]" 2 241 1 4 ILE H 1 4 ILE MG . . 4.080 3.842 3.818 3.871 . 0 0 "[ . 1 . 2]" 2 242 1 6 ILE MG 1 10 LYS H . . 5.780 4.115 3.915 4.275 . 0 0 "[ . 1 . 2]" 2 243 1 37 VAL MG2 1 58 LEU H . . 5.900 3.407 3.193 3.539 . 0 0 "[ . 1 . 2]" 2 244 1 63 PHE HA 1 63 PHE QD . . 4.420 2.862 2.192 3.838 . 0 0 "[ . 1 . 2]" 2 245 1 48 TYR HA 1 48 TYR QD . . 3.610 2.370 2.105 2.562 . 0 0 "[ . 1 . 2]" 2 246 1 47 LEU MD2 1 48 TYR QE . . 4.160 4.167 2.515 4.580 0.420 18 0 "[ . 1 . 2]" 2 247 1 48 TYR HA 1 48 TYR QE . . 4.740 4.668 4.425 4.820 0.080 13 0 "[ . 1 . 2]" 2 248 1 27 ALA MB 1 31 TRP HZ2 . . 4.170 3.363 3.089 3.691 . 0 0 "[ . 1 . 2]" 2 249 1 1 MET HA 1 2 ASN QB . . 4.830 4.648 4.407 4.911 0.081 20 0 "[ . 1 . 2]" 2 250 1 2 ASN QB 1 2 ASN HD21 . . 3.000 2.158 2.113 2.236 . 0 0 "[ . 1 . 2]" 2 251 1 2 ASN QB 1 2 ASN HD22 . . 3.330 3.236 3.191 3.288 . 0 0 "[ . 1 . 2]" 2 252 1 2 ASN QB 1 3 ALA H . . 3.060 2.350 2.044 2.573 . 0 0 "[ . 1 . 2]" 2 253 1 2 ASN HD21 1 35 GLY QA . . 3.570 2.472 1.517 3.370 . 0 0 "[ . 1 . 2]" 2 254 1 2 ASN HD22 1 35 GLY QA . . 3.990 3.005 2.052 3.855 . 0 0 "[ . 1 . 2]" 2 255 1 3 ALA MB 1 55 CYS QB . . 4.260 2.266 1.941 2.583 . 0 0 "[ . 1 . 2]" 2 256 1 4 ILE MG 1 45 ILE QG . . 4.030 3.878 3.687 3.997 . 0 0 "[ . 1 . 2]" 2 257 1 4 ILE QG 1 37 VAL MG1 . . 3.450 2.040 1.949 2.146 . 0 0 "[ . 1 . 2]" 2 258 1 4 ILE MD 1 31 TRP QB . . 4.470 3.326 3.060 3.534 . 0 0 "[ . 1 . 2]" 2 259 1 4 ILE MD 1 35 GLY QA . . 4.990 2.801 2.390 3.483 . 0 0 "[ . 1 . 2]" 2 260 1 5 ASP H 1 5 ASP QB . . 3.490 2.244 2.156 2.307 . 0 0 "[ . 1 . 2]" 2 261 1 5 ASP QB 1 6 ILE H . . 3.450 2.612 2.413 2.854 . 0 0 "[ . 1 . 2]" 2 262 1 6 ILE H 1 6 ILE QG . . 3.300 2.307 2.163 2.450 . 0 0 "[ . 1 . 2]" 2 263 1 7 ALA HA 1 48 TYR QB . . 4.880 2.307 2.127 2.496 . 0 0 "[ . 1 . 2]" 2 264 1 7 ALA MB 1 48 TYR QB . . 3.680 2.179 2.074 2.432 . 0 0 "[ . 1 . 2]" 2 265 1 8 ILE H 1 8 ILE QG . . 3.310 2.106 2.032 2.188 . 0 0 "[ . 1 . 2]" 2 266 1 8 ILE QG 1 14 VAL HA . . 4.680 3.051 2.851 3.214 . 0 0 "[ . 1 . 2]" 2 267 1 8 ILE QG 1 17 LEU MD2 . . 3.440 1.984 1.889 2.098 . 0 0 "[ . 1 . 2]" 2 268 1 8 ILE MD 1 32 ARG QG . . 4.520 3.375 2.305 3.864 . 0 0 "[ . 1 . 2]" 2 269 1 8 ILE MD 1 32 ARG QD . . 3.790 2.392 1.860 3.679 . 0 0 "[ . 1 . 2]" 2 270 1 10 LYS H 1 10 LYS QB . . 3.060 2.257 2.183 2.367 . 0 0 "[ . 1 . 2]" 2 271 1 10 LYS HA 1 10 LYS QD . . 4.460 3.553 3.148 4.144 . 0 0 "[ . 1 . 2]" 2 272 1 10 LYS QB 1 11 LEU H . . 3.490 2.583 2.359 2.812 . 0 0 "[ . 1 . 2]" 2 273 1 10 LYS QB 1 48 TYR QB . . 2.060 2.214 2.099 2.306 0.246 7 0 "[ . 1 . 2]" 2 274 1 10 LYS QD 1 11 LEU H . . 4.860 3.868 3.381 4.756 . 0 0 "[ . 1 . 2]" 2 275 1 10 LYS QD 1 11 LEU MD2 . . 4.530 2.250 1.793 3.222 . 0 0 "[ . 1 . 2]" 2 276 1 10 LYS QD 1 48 TYR HA . . 5.220 2.411 1.872 2.909 . 0 0 "[ . 1 . 2]" 2 277 1 10 LYS QD 1 48 TYR QB . . 2.070 2.140 1.990 2.245 0.175 3 0 "[ . 1 . 2]" 2 278 1 10 LYS QD 1 48 TYR QD . . 4.690 2.959 2.440 3.417 . 0 0 "[ . 1 . 2]" 2 279 1 11 LEU H 1 11 LEU QB . . 3.270 2.552 2.204 2.607 . 0 0 "[ . 1 . 2]" 2 280 1 11 LEU QB 1 12 GLY H . . 4.000 3.163 2.873 3.512 . 0 0 "[ . 1 . 2]" 2 281 1 11 LEU QB 1 13 SER H . . 4.810 2.830 2.513 3.100 . 0 0 "[ . 1 . 2]" 2 282 1 11 LEU MD1 1 17 LEU QB . . 4.260 2.914 2.528 3.906 . 0 0 "[ . 1 . 2]" 2 283 1 13 SER QB 1 14 VAL H . . 3.150 2.424 2.267 2.563 . 0 0 "[ . 1 . 2]" 2 284 1 13 SER QB 1 15 SER H . . 3.610 2.436 2.259 2.590 . 0 0 "[ . 1 . 2]" 2 285 1 14 VAL MG2 1 17 LEU QB . . 3.340 3.454 3.365 3.503 0.163 6 0 "[ . 1 . 2]" 2 286 1 15 SER HA 1 25 GLN QG . . 4.450 2.362 2.092 3.619 . 0 0 "[ . 1 . 2]" 2 287 1 15 SER QB 1 25 GLN QG . . 4.550 3.069 2.703 4.281 . 0 0 "[ . 1 . 2]" 2 288 1 16 ALA H 1 17 LEU QB . . 5.810 4.356 4.252 4.500 . 0 0 "[ . 1 . 2]" 2 289 1 17 LEU QB 1 18 ALA H . . 3.880 2.457 2.200 2.723 . 0 0 "[ . 1 . 2]" 2 290 1 17 LEU QB 1 21 LEU MD1 . . 3.560 3.739 3.696 3.809 0.249 18 0 "[ . 1 . 2]" 2 291 1 17 LEU MD1 1 45 ILE QG . . 3.260 2.532 2.304 2.827 . 0 0 "[ . 1 . 2]" 2 292 1 17 LEU MD2 1 45 ILE QG . . 3.350 3.394 3.277 3.475 0.125 6 0 "[ . 1 . 2]" 2 293 1 17 LEU MD2 1 48 TYR QB . . 4.830 4.892 4.799 5.006 0.176 9 0 "[ . 1 . 2]" 2 294 1 18 ALA H 1 28 ILE QG . . 4.140 3.140 2.918 3.320 . 0 0 "[ . 1 . 2]" 2 295 1 18 ALA MB 1 25 GLN QG . . 3.930 2.876 2.218 3.891 . 0 0 "[ . 1 . 2]" 2 296 1 20 ALA H 1 21 LEU QB . . 5.540 4.532 4.403 4.638 . 0 0 "[ . 1 . 2]" 2 297 1 21 LEU H 1 21 LEU QB . . 3.250 2.391 2.330 2.438 . 0 0 "[ . 1 . 2]" 2 298 1 21 LEU QB 1 23 VAL H . . 4.430 3.170 2.893 3.401 . 0 0 "[ . 1 . 2]" 2 299 1 21 LEU MD1 1 41 ARG QG . . 4.150 3.027 2.700 4.278 0.128 18 0 "[ . 1 . 2]" 2 300 1 21 LEU MD2 1 45 ILE QG . . 4.020 2.200 2.053 2.383 . 0 0 "[ . 1 . 2]" 2 301 1 23 VAL MG2 1 41 ARG QG . . 4.220 4.220 3.876 4.345 0.125 2 0 "[ . 1 . 2]" 2 302 1 24 ASN H 1 24 ASN QB . . 3.450 2.500 2.258 2.793 . 0 0 "[ . 1 . 2]" 2 303 1 24 ASN QB 1 25 GLN H . . 3.080 2.473 2.164 3.275 0.195 13 0 "[ . 1 . 2]" 2 304 1 24 ASN QB 1 26 SER H . . 3.620 2.822 2.129 3.580 . 0 0 "[ . 1 . 2]" 2 305 1 24 ASN QB 1 27 ALA H . . 4.380 3.136 2.051 4.116 . 0 0 "[ . 1 . 2]" 2 306 1 25 GLN H 1 25 GLN QG . . 3.330 3.205 1.906 3.419 0.089 15 0 "[ . 1 . 2]" 2 307 1 28 ILE H 1 28 ILE QG . . 3.730 2.062 1.991 2.183 . 0 0 "[ . 1 . 2]" 2 308 1 28 ILE HA 1 31 TRP QB . . 4.290 2.605 2.288 2.891 . 0 0 "[ . 1 . 2]" 2 309 1 30 GLN H 1 30 GLN QG . . 4.120 3.313 2.203 4.044 . 0 0 "[ . 1 . 2]" 2 310 1 31 TRP H 1 31 TRP QB . . 3.370 2.428 2.376 2.481 . 0 0 "[ . 1 . 2]" 2 311 1 31 TRP QB 1 32 ARG H . . 3.380 2.721 2.472 2.903 . 0 0 "[ . 1 . 2]" 2 312 1 31 TRP QB 1 37 VAL MG1 . . 3.540 2.094 1.809 2.746 . 0 0 "[ . 1 . 2]" 2 313 1 31 TRP HE1 1 38 PRO QB . . 4.380 4.524 4.375 4.660 0.280 10 0 "[ . 1 . 2]" 2 314 1 31 TRP HZ2 1 38 PRO QG . . 4.040 3.008 2.598 3.766 . 0 0 "[ . 1 . 2]" 2 315 1 32 ARG H 1 32 ARG QG . . 4.350 3.914 2.457 4.052 . 0 0 "[ . 1 . 2]" 2 316 1 32 ARG QG 1 33 ALA H . . 4.860 3.654 2.465 4.144 . 0 0 "[ . 1 . 2]" 2 317 1 32 ARG QG 1 35 GLY H . . 5.020 4.909 4.650 5.160 0.140 11 0 "[ . 1 . 2]" 2 318 1 32 ARG QD 1 33 ALA H . . 5.810 4.809 4.079 5.509 . 0 0 "[ . 1 . 2]" 2 319 1 33 ALA H 1 34 ARG QB . . 5.340 4.137 3.892 4.330 . 0 0 "[ . 1 . 2]" 2 320 1 34 ARG H 1 34 ARG QG . . 3.810 3.973 3.939 4.019 0.209 17 0 "[ . 1 . 2]" 2 321 1 34 ARG H 1 34 ARG QD . . 4.910 4.433 4.206 4.809 . 0 0 "[ . 1 . 2]" 2 322 1 34 ARG H 1 35 GLY QA . . 5.440 4.270 4.097 4.414 . 0 0 "[ . 1 . 2]" 2 323 1 34 ARG HA 1 34 ARG QG . . 3.670 2.795 2.254 3.065 . 0 0 "[ . 1 . 2]" 2 324 1 34 ARG HE 1 34 ARG QG . . 2.690 2.475 2.216 2.807 0.117 15 0 "[ . 1 . 2]" 2 325 1 34 ARG QG 1 58 LEU MD1 . . 4.330 3.705 2.678 4.339 0.009 12 0 "[ . 1 . 2]" 2 326 1 36 ARG QB 1 37 VAL H . . 3.660 3.243 2.512 3.712 0.052 13 0 "[ . 1 . 2]" 2 327 1 36 ARG QB 1 58 LEU MD2 . . 4.300 3.370 2.274 4.030 . 0 0 "[ . 1 . 2]" 2 328 1 37 VAL HB 1 38 PRO QD . . 3.830 2.319 1.997 2.495 . 0 0 "[ . 1 . 2]" 2 329 1 37 VAL MG1 1 38 PRO QD . . 4.620 3.263 2.941 3.523 . 0 0 "[ . 1 . 2]" 2 330 1 37 VAL MG1 1 41 ARG QB . . 4.130 3.443 3.132 3.929 . 0 0 "[ . 1 . 2]" 2 331 1 37 VAL MG2 1 41 ARG QG . . 4.350 3.542 2.821 4.275 . 0 0 "[ . 1 . 2]" 2 332 1 37 VAL MG2 1 57 GLU QG . . 3.760 3.816 3.542 3.938 0.178 9 0 "[ . 1 . 2]" 2 333 1 38 PRO HA 1 58 LEU QB . . 4.680 2.408 1.854 2.946 . 0 0 "[ . 1 . 2]" 2 334 1 38 PRO QB 1 39 ALA H . . 3.870 2.658 2.480 3.041 . 0 0 "[ . 1 . 2]" 2 335 1 38 PRO QG 1 39 ALA H . . 5.060 4.327 4.078 4.539 . 0 0 "[ . 1 . 2]" 2 336 1 39 ALA HA 1 57 GLU QG . . 4.460 3.458 2.954 4.057 . 0 0 "[ . 1 . 2]" 2 337 1 39 ALA MB 1 60 PRO QG . . 4.510 4.080 3.540 4.612 0.102 20 0 "[ . 1 . 2]" 2 338 1 39 ALA MB 1 60 PRO QD . . 4.860 3.029 2.215 3.795 . 0 0 "[ . 1 . 2]" 2 339 1 41 ARG H 1 41 ARG QD . . 5.070 4.887 4.346 5.165 0.095 14 0 "[ . 1 . 2]" 2 340 1 41 ARG HA 1 41 ARG QD . . 3.610 3.152 2.968 3.265 . 0 0 "[ . 1 . 2]" 2 341 1 41 ARG QB 1 41 ARG HE . . 3.850 3.338 3.057 3.595 . 0 0 "[ . 1 . 2]" 2 342 1 41 ARG HE 1 41 ARG QG . . 3.320 2.564 2.430 3.143 . 0 0 "[ . 1 . 2]" 2 343 1 42 CYS H 1 42 CYS QB . . 3.100 2.248 2.174 2.308 . 0 0 "[ . 1 . 2]" 2 344 1 42 CYS QB 1 43 ILE H . . 4.030 2.987 2.760 3.212 . 0 0 "[ . 1 . 2]" 2 345 1 43 ILE H 1 43 ILE QG . . 3.890 2.054 1.877 2.352 . 0 0 "[ . 1 . 2]" 2 346 1 43 ILE QG 1 43 ILE MG . . 3.230 2.377 2.299 2.424 . 0 0 "[ . 1 . 2]" 2 347 1 45 ILE H 1 45 ILE QG . . 3.330 2.356 2.213 2.488 . 0 0 "[ . 1 . 2]" 2 348 1 45 ILE MG 1 55 CYS QB . . 4.620 2.776 2.288 3.340 . 0 0 "[ . 1 . 2]" 2 349 1 46 GLU HA 1 46 GLU QG . . 3.660 2.430 2.342 2.541 . 0 0 "[ . 1 . 2]" 2 350 1 46 GLU QG 1 49 THR MG . . 5.010 4.878 4.371 5.164 0.154 4 0 "[ . 1 . 2]" 2 351 1 47 LEU H 1 47 LEU QB . . 3.220 2.279 2.012 2.546 . 0 0 "[ . 1 . 2]" 2 352 1 47 LEU QB 1 48 TYR H . . 4.050 2.718 2.447 3.037 . 0 0 "[ . 1 . 2]" 2 353 1 47 LEU QB 1 48 TYR QE . . 4.650 3.137 2.631 4.199 . 0 0 "[ . 1 . 2]" 2 354 1 48 TYR H 1 48 TYR QB . . 3.550 2.687 2.551 2.834 . 0 0 "[ . 1 . 2]" 2 355 1 50 ASP QB 1 52 ARG H . . 5.280 4.484 3.945 5.377 0.097 3 0 "[ . 1 . 2]" 2 356 1 55 CYS H 1 55 CYS QB . . 3.280 2.313 2.180 2.780 . 0 0 "[ . 1 . 2]" 2 357 1 56 ARG H 1 56 ARG QB . . 3.490 2.828 2.322 3.281 . 0 0 "[ . 1 . 2]" 2 358 1 56 ARG H 1 56 ARG QG . . 4.070 3.247 2.057 4.037 . 0 0 "[ . 1 . 2]" 2 359 1 57 GLU H 1 57 GLU QG . . 3.780 2.123 1.833 2.428 . 0 0 "[ . 1 . 2]" 2 360 1 57 GLU QG 1 58 LEU H . . 5.230 3.821 3.556 4.413 . 0 0 "[ . 1 . 2]" 2 361 1 58 LEU H 1 58 LEU QB . . 3.670 2.368 2.263 2.518 . 0 0 "[ . 1 . 2]" 2 362 1 58 LEU QB 1 59 ARG H . . 3.960 2.868 2.399 3.516 . 0 0 "[ . 1 . 2]" 2 363 1 59 ARG H 1 59 ARG QB . . 3.310 2.520 2.316 2.765 . 0 0 "[ . 1 . 2]" 2 364 1 59 ARG H 1 60 PRO QD . . 5.690 4.465 4.409 4.521 . 0 0 "[ . 1 . 2]" 2 365 1 59 ARG QB 1 60 PRO QD . . 1.560 1.890 1.768 2.019 0.459 12 0 "[ . 1 . 2]" 2 366 1 59 ARG QB 1 61 ASP H . . 5.600 4.516 2.698 5.796 0.196 19 0 "[ . 1 . 2]" 2 367 1 60 PRO QB 1 61 ASP H . . 4.080 3.446 2.857 4.037 . 0 0 "[ . 1 . 2]" 2 368 1 60 PRO QG 1 61 ASP H . . 4.590 4.012 2.320 4.727 0.137 16 0 "[ . 1 . 2]" 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 42 _Distance_constraint_stats_list.Viol_count 61 _Distance_constraint_stats_list.Viol_total 54.255 _Distance_constraint_stats_list.Viol_max 0.181 _Distance_constraint_stats_list.Viol_rms 0.0161 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0032 _Distance_constraint_stats_list.Viol_average_violations_only 0.0445 _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 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 4 ILE 0.042 0.031 3 0 "[ . 1 . 2]" 1 5 ASP 0.140 0.081 11 0 "[ . 1 . 2]" 1 6 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 8 ILE 0.042 0.031 3 0 "[ . 1 . 2]" 1 9 ASN 0.140 0.081 11 0 "[ . 1 . 2]" 1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]" 1 15 SER 0.137 0.052 2 0 "[ . 1 . 2]" 1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 19 ALA 0.137 0.052 2 0 "[ . 1 . 2]" 1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]" 1 25 GLN 0.114 0.051 2 0 "[ . 1 . 2]" 1 26 SER 0.037 0.037 8 0 "[ . 1 . 2]" 1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]" 1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 29 SER 0.167 0.051 2 0 "[ . 1 . 2]" 1 30 GLN 0.037 0.037 8 0 "[ . 1 . 2]" 1 31 TRP 0.000 0.000 . 0 "[ . 1 . 2]" 1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 33 ALA 0.053 0.042 11 0 "[ . 1 . 2]" 1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]" 1 41 ARG 0.218 0.051 4 0 "[ . 1 . 2]" 1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]" 1 43 ILE 0.278 0.075 17 0 "[ . 1 . 2]" 1 44 ASP 1.694 0.181 19 0 "[ . 1 . 2]" 1 45 ILE 0.218 0.051 4 0 "[ . 1 . 2]" 1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]" 1 47 LEU 0.278 0.075 17 0 "[ . 1 . 2]" 1 48 TYR 1.694 0.181 19 0 "[ . 1 . 2]" 1 49 THR 0.000 0.000 5 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 2 ASN O 1 6 ILE H 2.500 . 2.500 2.086 1.953 2.489 . 0 0 "[ . 1 . 2]" 3 2 1 2 ASN O 1 6 ILE N 3.500 . 3.500 2.990 2.843 3.395 . 0 0 "[ . 1 . 2]" 3 3 1 3 ALA O 1 7 ALA H 2.500 . 2.500 2.126 1.983 2.264 . 0 0 "[ . 1 . 2]" 3 4 1 3 ALA O 1 7 ALA N 3.500 . 3.500 3.013 2.785 3.162 . 0 0 "[ . 1 . 2]" 3 5 1 4 ILE O 1 8 ILE H 2.500 . 2.500 2.309 2.103 2.531 0.031 3 0 "[ . 1 . 2]" 3 6 1 4 ILE O 1 8 ILE N 3.500 . 3.500 3.167 2.972 3.420 . 0 0 "[ . 1 . 2]" 3 7 1 5 ASP O 1 9 ASN H 2.500 . 2.500 2.257 2.071 2.581 0.081 11 0 "[ . 1 . 2]" 3 8 1 5 ASP O 1 9 ASN N 3.500 . 3.500 3.180 3.006 3.540 0.040 11 0 "[ . 1 . 2]" 3 9 1 6 ILE O 1 10 LYS H 2.500 . 2.500 2.107 2.007 2.247 . 0 0 "[ . 1 . 2]" 3 10 1 6 ILE O 1 10 LYS N 3.500 . 3.500 2.888 2.774 3.043 . 0 0 "[ . 1 . 2]" 3 11 1 7 ALA O 1 11 LEU H 2.500 . 2.500 2.133 2.032 2.246 . 0 0 "[ . 1 . 2]" 3 12 1 7 ALA O 1 11 LEU N 3.500 . 3.500 3.073 2.977 3.162 . 0 0 "[ . 1 . 2]" 3 13 1 14 VAL O 1 18 ALA H 2.500 . 2.500 1.912 1.855 1.985 . 0 0 "[ . 1 . 2]" 3 14 1 14 VAL O 1 18 ALA N 3.500 . 3.500 2.833 2.765 2.875 . 0 0 "[ . 1 . 2]" 3 15 1 15 SER O 1 19 ALA H 2.500 . 2.500 2.451 2.272 2.552 0.052 2 0 "[ . 1 . 2]" 3 16 1 15 SER O 1 19 ALA N 3.500 . 3.500 3.324 3.144 3.405 . 0 0 "[ . 1 . 2]" 3 17 1 16 ALA O 1 20 ALA H 2.500 . 2.500 2.270 2.141 2.484 . 0 0 "[ . 1 . 2]" 3 18 1 16 ALA O 1 20 ALA N 3.500 . 3.500 3.135 3.022 3.288 . 0 0 "[ . 1 . 2]" 3 19 1 17 LEU O 1 21 LEU H 2.500 . 2.500 2.108 2.030 2.236 . 0 0 "[ . 1 . 2]" 3 20 1 17 LEU O 1 21 LEU N 3.500 . 3.500 2.904 2.853 2.972 . 0 0 "[ . 1 . 2]" 3 21 1 25 GLN O 1 29 SER H 2.500 . 2.500 2.348 2.091 2.551 0.051 2 0 "[ . 1 . 2]" 3 22 1 25 GLN O 1 29 SER N 3.500 . 3.500 3.285 3.026 3.505 0.005 2 0 "[ . 1 . 2]" 3 23 1 26 SER O 1 30 GLN H 2.500 . 2.500 2.247 2.019 2.537 0.037 8 0 "[ . 1 . 2]" 3 24 1 26 SER O 1 30 GLN N 3.500 . 3.500 3.092 2.880 3.400 . 0 0 "[ . 1 . 2]" 3 25 1 27 ALA O 1 31 TRP H 2.500 . 2.500 2.047 1.951 2.158 . 0 0 "[ . 1 . 2]" 3 26 1 27 ALA O 1 31 TRP N 3.500 . 3.500 2.933 2.839 3.044 . 0 0 "[ . 1 . 2]" 3 27 1 28 ILE O 1 32 ARG H 2.500 . 2.500 2.053 1.996 2.119 . 0 0 "[ . 1 . 2]" 3 28 1 28 ILE O 1 32 ARG N 3.500 . 3.500 2.910 2.825 3.013 . 0 0 "[ . 1 . 2]" 3 29 1 29 SER O 1 33 ALA H 2.500 . 2.500 2.288 2.103 2.542 0.042 11 0 "[ . 1 . 2]" 3 30 1 29 SER O 1 33 ALA N 3.500 . 3.500 3.150 2.899 3.358 . 0 0 "[ . 1 . 2]" 3 31 1 30 GLN O 1 34 ARG H 2.500 . 2.500 2.105 2.032 2.266 . 0 0 "[ . 1 . 2]" 3 32 1 30 GLN O 1 34 ARG N 3.500 . 3.500 2.843 2.749 3.078 . 0 0 "[ . 1 . 2]" 3 33 1 41 ARG O 1 45 ILE H 2.500 . 2.500 2.429 2.161 2.551 0.051 4 0 "[ . 1 . 2]" 3 34 1 41 ARG O 1 45 ILE N 3.500 . 3.500 3.399 3.119 3.533 0.033 4 0 "[ . 1 . 2]" 3 35 1 42 CYS O 1 46 GLU H 2.500 . 2.500 1.995 1.914 2.103 . 0 0 "[ . 1 . 2]" 3 36 1 42 CYS O 1 46 GLU N 3.500 . 3.500 2.792 2.684 2.919 . 0 0 "[ . 1 . 2]" 3 37 1 43 ILE O 1 47 LEU H 2.500 . 2.500 2.419 2.170 2.575 0.075 17 0 "[ . 1 . 2]" 3 38 1 43 ILE O 1 47 LEU N 3.500 . 3.500 3.255 2.977 3.482 . 0 0 "[ . 1 . 2]" 3 39 1 44 ASP O 1 48 TYR H 2.500 . 2.500 2.580 2.461 2.681 0.181 19 0 "[ . 1 . 2]" 3 40 1 44 ASP O 1 48 TYR N 3.500 . 3.500 3.390 3.222 3.530 0.030 16 0 "[ . 1 . 2]" 3 41 1 45 ILE O 1 49 THR H 2.500 . 2.500 2.238 1.996 2.500 . 5 0 "[ . 1 . 2]" 3 42 1 45 ILE O 1 49 THR N 3.500 . 3.500 2.874 2.731 3.156 . 0 0 "[ . 1 . 2]" 3 stop_ save_
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