NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
370486 |
1bsh   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bsh
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 1025
_Distance_constraint_stats_list.Viol_count 806
_Distance_constraint_stats_list.Viol_total 1291.848
_Distance_constraint_stats_list.Viol_max 0.647
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0534
_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 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 THR 0.774 0.126 27 0 "[ . 1 . 2 . 3]"
1 4 TYR 2.258 0.147 4 0 "[ . 1 . 2 . 3]"
1 5 HIS 6.373 0.230 4 0 "[ . 1 . 2 . 3]"
1 6 LEU 12.276 0.263 7 0 "[ . 1 . 2 . 3]"
1 7 ASP 1.742 0.170 3 0 "[ . 1 . 2 . 3]"
1 8 VAL 0.641 0.100 14 0 "[ . 1 . 2 . 3]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 SER 0.103 0.064 24 0 "[ . 1 . 2 . 3]"
1 11 ALA 0.150 0.064 24 0 "[ . 1 . 2 . 3]"
1 12 GLU 0.172 0.044 21 0 "[ . 1 . 2 . 3]"
1 13 GLN 0.327 0.143 14 0 "[ . 1 . 2 . 3]"
1 14 GLN 0.206 0.143 14 0 "[ . 1 . 2 . 3]"
1 15 MET 0.008 0.008 30 0 "[ . 1 . 2 . 3]"
1 16 PHE 1.354 0.100 14 0 "[ . 1 . 2 . 3]"
1 17 SER 0.432 0.053 19 0 "[ . 1 . 2 . 3]"
1 18 GLY 0.087 0.028 24 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.161 0.054 15 0 "[ . 1 . 2 . 3]"
1 20 VAL 4.471 0.218 27 0 "[ . 1 . 2 . 3]"
1 21 GLU 0.251 0.072 17 0 "[ . 1 . 2 . 3]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 ILE 11.541 0.317 11 0 "[ . 1 . 2 . 3]"
1 24 GLN 1.001 0.231 16 0 "[ . 1 . 2 . 3]"
1 25 VAL 1.164 0.099 8 0 "[ . 1 . 2 . 3]"
1 26 THR 1.202 0.392 25 0 "[ . 1 . 2 . 3]"
1 27 GLY 0.535 0.046 7 0 "[ . 1 . 2 . 3]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 GLU 0.182 0.051 15 0 "[ . 1 . 2 . 3]"
1 30 GLY 0.182 0.051 15 0 "[ . 1 . 2 . 3]"
1 31 GLU 0.489 0.392 25 0 "[ . 1 . 2 . 3]"
1 32 LEU 0.535 0.046 7 0 "[ . 1 . 2 . 3]"
1 33 GLY 0.537 0.198 16 0 "[ . 1 . 2 . 3]"
1 34 ILE 1.404 0.094 2 0 "[ . 1 . 2 . 3]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 HIS 0.283 0.048 17 0 "[ . 1 . 2 . 3]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 LEU 0.483 0.283 12 0 "[ . 1 . 2 . 3]"
1 42 LEU 0.565 0.422 3 0 "[ . 1 . 2 . 3]"
1 43 THR 0.448 0.422 3 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.048 0.048 3 0 "[ . 1 . 2 . 3]"
1 45 ILE 0.383 0.213 19 0 "[ . 1 . 2 . 3]"
1 46 LYS 0.383 0.213 19 0 "[ . 1 . 2 . 3]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 GLY 0.036 0.025 17 0 "[ . 1 . 2 . 3]"
1 49 MET 0.026 0.015 23 0 "[ . 1 . 2 . 3]"
1 50 ILE 0.246 0.076 3 0 "[ . 1 . 2 . 3]"
1 51 ARG 0.040 0.037 18 0 "[ . 1 . 2 . 3]"
1 52 ILE 9.875 0.317 11 0 "[ . 1 . 2 . 3]"
1 53 VAL 0.318 0.045 1 0 "[ . 1 . 2 . 3]"
1 54 LYS 0.172 0.031 5 0 "[ . 1 . 2 . 3]"
1 55 GLN 0.013 0.013 6 0 "[ . 1 . 2 . 3]"
1 56 HIS 0.007 0.007 5 0 "[ . 1 . 2 . 3]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 GLU 0.061 0.029 29 0 "[ . 1 . 2 . 3]"
1 60 GLU 0.102 0.066 5 0 "[ . 1 . 2 . 3]"
1 61 PHE 0.427 0.098 6 0 "[ . 1 . 2 . 3]"
1 62 ILE 0.365 0.106 12 0 "[ . 1 . 2 . 3]"
1 63 TYR 0.229 0.078 14 0 "[ . 1 . 2 . 3]"
1 64 LEU 0.088 0.036 7 0 "[ . 1 . 2 . 3]"
1 65 SER 0.052 0.052 21 0 "[ . 1 . 2 . 3]"
1 66 GLY 0.057 0.052 21 0 "[ . 1 . 2 . 3]"
1 67 GLY 0.066 0.022 6 0 "[ . 1 . 2 . 3]"
1 68 ILE 0.202 0.077 3 0 "[ . 1 . 2 . 3]"
1 69 LEU 1.419 0.647 21 1 "[ . 1 . 2+ . 3]"
1 70 GLU 0.284 0.088 21 0 "[ . 1 . 2 . 3]"
1 71 VAL 0.557 0.283 12 0 "[ . 1 . 2 . 3]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 GLY 0.200 0.059 1 0 "[ . 1 . 2 . 3]"
1 75 ASN 0.525 0.073 20 0 "[ . 1 . 2 . 3]"
1 76 VAL 0.349 0.066 23 0 "[ . 1 . 2 . 3]"
1 77 THR 1.411 0.170 3 0 "[ . 1 . 2 . 3]"
1 78 VAL 1.358 0.647 21 1 "[ . 1 . 2+ . 3]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 80 ALA 0.066 0.022 6 0 "[ . 1 . 2 . 3]"
1 81 ASP 0.005 0.005 11 0 "[ . 1 . 2 . 3]"
1 82 THR 0.015 0.015 24 0 "[ . 1 . 2 . 3]"
1 83 ALA 0.044 0.015 24 0 "[ . 1 . 2 . 3]"
1 84 ILE 0.640 0.086 25 0 "[ . 1 . 2 . 3]"
1 85 ARG 0.258 0.056 3 0 "[ . 1 . 2 . 3]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 88 ASP 0.406 0.086 25 0 "[ . 1 . 2 . 3]"
1 89 LEU 0.295 0.069 29 0 "[ . 1 . 2 . 3]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 91 GLU 0.129 0.057 1 0 "[ . 1 . 2 . 3]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 93 ARG 0.008 0.008 27 0 "[ . 1 . 2 . 3]"
1 94 ALA 0.975 0.059 24 0 "[ . 1 . 2 . 3]"
1 95 MET 1.120 0.090 24 0 "[ . 1 . 2 . 3]"
1 96 GLU 0.019 0.016 4 0 "[ . 1 . 2 . 3]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 LYS 0.021 0.021 25 0 "[ . 1 . 2 . 3]"
1 99 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 100 LYS 0.014 0.014 29 0 "[ . 1 . 2 . 3]"
1 101 ALA 0.231 0.028 4 0 "[ . 1 . 2 . 3]"
1 102 GLU 0.252 0.028 4 0 "[ . 1 . 2 . 3]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 104 HIS 0.003 0.003 22 0 "[ . 1 . 2 . 3]"
1 105 ILE 0.053 0.024 7 0 "[ . 1 . 2 . 3]"
1 106 SER 0.279 0.102 26 0 "[ . 1 . 2 . 3]"
1 107 SER 0.405 0.110 28 0 "[ . 1 . 2 . 3]"
1 108 SER 0.179 0.110 28 0 "[ . 1 . 2 . 3]"
1 109 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 111 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 112 VAL 1.162 0.087 7 0 "[ . 1 . 2 . 3]"
1 113 ASP 0.062 0.023 8 0 "[ . 1 . 2 . 3]"
1 114 TYR 1.058 0.065 27 0 "[ . 1 . 2 . 3]"
1 115 ALA 0.087 0.087 7 0 "[ . 1 . 2 . 3]"
1 116 GLN 0.012 0.012 4 0 "[ . 1 . 2 . 3]"
1 117 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 120 GLU 0.013 0.013 21 0 "[ . 1 . 2 . 3]"
1 121 LEU 0.013 0.013 21 0 "[ . 1 . 2 . 3]"
1 122 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 123 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 125 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 126 ALA 0.099 0.029 30 0 "[ . 1 . 2 . 3]"
1 127 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 128 LEU 0.172 0.090 24 0 "[ . 1 . 2 . 3]"
1 129 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 130 VAL 0.186 0.066 1 0 "[ . 1 . 2 . 3]"
1 131 ILE 0.247 0.057 1 0 "[ . 1 . 2 . 3]"
1 132 GLU 0.002 0.002 15 0 "[ . 1 . 2 . 3]"
1 133 LEU 0.382 0.098 6 0 "[ . 1 . 2 . 3]"
1 134 THR 0.162 0.034 3 0 "[ . 1 . 2 . 3]"
1 135 LYS 0.002 0.002 15 0 "[ . 1 . 2 . 3]"
1 136 LYS 0.010 0.010 12 0 "[ . 1 . 2 . 3]"
1 137 ALA 0.009 0.009 27 0 "[ . 1 . 2 . 3]"
1 138 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 THR H 1 3 THR MG 1.800 . 4.500 2.984 1.921 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 TYR H 1 4 TYR QD 1.800 . 5.500 2.341 1.785 3.558 0.015 5 0 "[ . 1 . 2 . 3]" 1
3 1 5 HIS H 1 5 HIS HB3 1.800 . 4.000 2.615 2.337 3.062 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 5 HIS H 1 5 HIS HB2 1.800 . 4.000 3.353 2.956 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 HIS HA 1 5 HIS HD2 1.800 . 4.000 4.013 2.658 4.230 0.230 4 0 "[ . 1 . 2 . 3]" 1
6 1 5 HIS HB3 1 5 HIS HD2 1.800 . 4.000 3.344 2.925 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 5 HIS HB2 1 5 HIS HD2 1.800 . 4.000 3.418 2.724 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 6 LEU H 1 6 LEU QB 1.800 . 4.500 2.653 2.097 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 6 LEU H 1 6 LEU HG 1.800 . 4.500 3.342 2.356 4.763 0.263 7 0 "[ . 1 . 2 . 3]" 1
10 1 6 LEU H 1 6 LEU MD1 1.800 . 4.500 3.853 3.225 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 6 LEU H 1 6 LEU MD2 1.800 . 4.500 3.655 2.925 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 7 ASP H 1 7 ASP HB3 1.800 . 4.000 3.265 2.754 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 7 ASP H 1 7 ASP HB2 1.800 . 4.000 2.916 2.596 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 8 VAL H 1 8 VAL HB 1.800 . 4.000 3.163 2.805 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 8 VAL H 1 8 VAL MG1 1.800 . 4.500 1.973 1.824 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 8 VAL H 1 8 VAL MG2 1.800 . 4.500 3.476 1.869 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 9 VAL H 1 9 VAL HB 1.800 . 4.000 3.528 2.445 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 9 VAL H 1 9 VAL QG 1.800 . 4.000 2.215 1.830 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 10 SER H 1 10 SER HB3 1.800 . 4.000 3.451 2.727 4.003 0.003 2 0 "[ . 1 . 2 . 3]" 1
20 1 10 SER H 1 10 SER HB2 1.800 . 4.000 3.315 2.360 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 11 ALA H 1 11 ALA MB 1.800 . 4.500 2.576 2.054 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 12 GLU H 1 12 GLU QG 1.800 . 4.000 2.859 1.982 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 14 GLN H 1 14 GLN QG 1.800 . 5.500 3.278 1.885 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 15 MET H 1 15 MET QG 1.800 . 5.500 3.109 2.457 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 19 LEU H 1 19 LEU QB 1.800 . 3.500 2.510 2.310 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 19 LEU H 1 19 LEU HG 1.800 . 4.500 2.437 1.856 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 19 LEU H 1 19 LEU MD1 1.800 . 4.500 3.533 1.791 3.790 0.009 17 0 "[ . 1 . 2 . 3]" 1
28 1 19 LEU H 1 19 LEU MD2 1.800 . 4.500 2.665 1.782 3.564 0.018 15 0 "[ . 1 . 2 . 3]" 1
29 1 20 VAL H 1 20 VAL MG2 1.800 . 4.500 3.630 2.354 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 20 VAL H 1 20 VAL MG1 1.800 . 5.500 2.388 2.078 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 21 GLU H 1 21 GLU QG 1.800 . 5.500 3.925 1.939 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 22 LYS H 1 22 LYS QG 1.800 . 4.500 3.759 2.158 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 24 GLN H 1 24 GLN QG 1.800 . 5.500 3.787 2.181 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 25 VAL H 1 25 VAL HB 1.800 . 3.500 3.011 2.512 3.599 0.099 8 0 "[ . 1 . 2 . 3]" 1
35 1 25 VAL H 1 25 VAL QG 1.800 . 5.500 2.222 1.774 2.662 0.026 30 0 "[ . 1 . 2 . 3]" 1
36 1 26 THR H 1 26 THR HB 1.800 . 4.000 2.749 2.439 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 26 THR H 1 26 THR MG 1.800 . 5.500 3.640 2.061 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 31 GLU H 1 31 GLU QG 1.800 . 5.500 3.194 1.845 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 32 LEU H 1 32 LEU QB 1.800 . 4.500 2.516 2.137 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 32 LEU H 1 32 LEU HG 1.800 . 4.500 3.600 2.648 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 32 LEU H 1 32 LEU QD 1.800 . 5.500 3.625 2.832 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 34 ILE H 1 34 ILE HB 1.800 . 4.000 2.780 2.387 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 34 ILE H 1 34 ILE MD 1.800 . 5.500 3.955 3.730 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 34 ILE H 1 34 ILE HG13 1.800 . 5.500 4.525 3.880 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 34 ILE H 1 34 ILE HG12 1.800 . 5.500 3.336 2.620 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 34 ILE HA 1 34 ILE MG 1.800 . 5.500 2.512 2.359 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 34 ILE HA 1 34 ILE MD 1.800 . 5.500 1.902 1.759 2.080 0.041 16 0 "[ . 1 . 2 . 3]" 1
48 1 38 HIS H 1 38 HIS HB3 1.800 . 4.000 2.563 2.335 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 38 HIS H 1 38 HIS HB2 1.800 . 4.000 2.657 2.144 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 39 ALA H 1 39 ALA MB 1.800 . 4.500 2.392 2.025 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 41 LEU H 1 41 LEU QB 1.800 . 4.500 2.284 2.084 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 42 LEU H 1 42 LEU QB 1.800 . 4.000 2.909 2.468 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 42 LEU H 1 42 LEU HG 1.800 . 4.500 3.371 2.115 4.538 0.038 19 0 "[ . 1 . 2 . 3]" 1
54 1 43 THR H 1 43 THR MG 1.800 . 3.500 2.549 1.811 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 44 ALA H 1 44 ALA MB 1.800 . 3.500 2.341 2.193 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 45 ILE H 1 45 ILE QG 1.800 . 5.500 3.007 1.865 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 45 ILE H 1 45 ILE MG 1.800 . 5.500 3.251 2.037 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 45 ILE H 1 45 ILE MD 1.800 . 5.500 3.578 1.964 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 46 LYS H 1 46 LYS QG 1.800 . 4.500 3.312 2.025 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 49 MET H 1 49 MET HB3 1.800 . 4.000 3.008 2.789 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 49 MET H 1 49 MET HB2 1.800 . 4.000 3.732 3.632 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 49 MET H 1 49 MET HG3 1.800 . 4.000 2.341 1.835 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 49 MET H 1 49 MET HG2 1.800 . 4.000 2.630 2.017 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 50 ILE H 1 50 ILE MG 1.800 . 5.500 2.615 1.926 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 50 ILE H 1 50 ILE MD 1.800 . 5.500 4.465 3.273 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 52 ILE H 1 52 ILE HB 1.800 . 4.000 2.896 2.653 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 52 ILE H 1 52 ILE HG13 1.800 . 5.500 3.427 2.241 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 52 ILE H 1 52 ILE MG 1.800 . 5.500 3.559 2.712 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 52 ILE H 1 52 ILE MD 1.800 . 5.500 4.141 1.801 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 53 VAL H 1 53 VAL HB 1.800 . 4.000 2.660 2.568 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 53 VAL H 1 53 VAL MG1 1.800 . 4.500 3.797 3.767 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 53 VAL H 1 53 VAL MG2 1.800 . 4.500 3.155 2.948 3.428 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 54 LYS H 1 54 LYS QG 1.800 . 5.500 3.422 1.852 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 55 GLN H 1 55 GLN QG 1.800 . 5.500 3.712 2.277 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 56 HIS HA 1 56 HIS HD2 1.800 . 4.000 2.982 1.897 4.007 0.007 5 0 "[ . 1 . 2 . 3]" 1
76 1 56 HIS HB3 1 56 HIS HD2 1.800 . 4.000 3.519 2.755 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 57 GLY H 1 57 GLY HA3 1.800 . 3.000 2.743 2.349 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 57 GLY H 1 57 GLY HA2 1.800 . 3.000 2.811 2.353 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 58 HIS H 1 58 HIS HB3 1.800 . 4.000 3.587 2.678 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 58 HIS H 1 58 HIS HB2 1.800 . 4.000 2.759 2.114 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 59 GLU H 1 59 GLU HG3 1.800 . 4.500 2.995 1.903 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 59 GLU H 1 59 GLU HG2 1.800 . 4.500 2.990 1.868 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 60 GLU H 1 60 GLU QG 1.800 . 4.500 3.340 2.007 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 61 PHE H 1 61 PHE QD 1.800 . 4.500 3.033 2.456 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 61 PHE H 1 61 PHE QB 1.800 . 3.500 2.765 2.260 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 62 ILE H 1 62 ILE MG 1.800 . 5.500 3.897 3.779 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 62 ILE H 1 62 ILE MD 1.800 . 5.500 3.341 2.092 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 63 TYR H 1 63 TYR QD 1.800 . 5.500 3.934 3.507 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 63 TYR H 1 63 TYR QB 1.800 . 3.500 2.791 2.382 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 64 LEU H 1 64 LEU HG 1.800 . 4.500 2.822 1.895 4.536 0.036 7 0 "[ . 1 . 2 . 3]" 1
91 1 64 LEU H 1 64 LEU MD1 1.800 . 5.500 3.485 1.842 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 64 LEU H 1 64 LEU MD2 1.800 . 5.500 3.276 1.822 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 68 ILE H 1 68 ILE HB 1.800 . 3.500 2.781 2.412 3.577 0.077 3 0 "[ . 1 . 2 . 3]" 1
94 1 68 ILE H 1 68 ILE QG 1.800 . 4.500 2.509 1.811 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 69 LEU H 1 69 LEU QB 1.800 . 4.000 2.571 2.240 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 69 LEU H 1 69 LEU QD 1.800 . 4.500 3.116 1.871 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 70 GLU H 1 70 GLU QG 1.800 . 5.500 3.089 1.820 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 71 VAL H 1 71 VAL HB 1.800 . 4.000 2.795 2.320 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 71 VAL H 1 71 VAL QG 1.800 . 4.500 2.072 1.811 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 72 GLN H 1 72 GLN QG 1.800 . 4.500 3.125 2.063 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 76 VAL H 1 76 VAL HB 1.800 . 4.000 3.321 2.383 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 76 VAL H 1 76 VAL MG1 1.800 . 4.500 2.938 1.848 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 76 VAL H 1 76 VAL MG2 1.800 . 4.500 3.068 1.977 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 77 THR H 1 77 THR MG 1.800 . 5.500 3.681 1.874 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 78 VAL H 1 78 VAL HB 1.800 . 4.000 3.784 3.479 4.002 0.002 20 0 "[ . 1 . 2 . 3]" 1
106 1 78 VAL H 1 78 VAL QG 1.800 . 4.500 2.244 1.975 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 79 LEU H 1 79 LEU QD 1.800 . 4.500 2.766 1.840 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 80 ALA H 1 80 ALA MB 1.800 . 4.000 2.543 2.239 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 81 ASP H 1 81 ASP HB3 1.800 . 4.000 3.257 2.412 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 81 ASP H 1 81 ASP HB2 1.800 . 4.000 2.765 2.267 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 82 THR H 1 82 THR MG 1.800 . 4.500 3.547 1.889 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 83 ALA H 1 83 ALA MB 1.800 . 3.500 2.701 2.444 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 84 ILE H 1 84 ILE HB 1.800 . 4.000 2.556 2.320 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 84 ILE H 1 84 ILE MG 1.800 . 4.500 3.781 3.617 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 87 GLN H 1 87 GLN QG 1.800 . 4.500 2.683 1.804 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 88 ASP H 1 88 ASP HB3 1.800 . 4.000 3.019 2.381 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 88 ASP H 1 88 ASP HB2 1.800 . 4.000 2.794 2.115 4.031 0.031 1 0 "[ . 1 . 2 . 3]" 1
118 1 89 LEU H 1 89 LEU HB3 1.800 . 4.000 3.659 2.966 4.069 0.069 29 0 "[ . 1 . 2 . 3]" 1
119 1 89 LEU H 1 89 LEU HB2 1.800 . 4.000 2.941 2.108 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 92 ALA H 1 92 ALA MB 1.800 . 3.500 2.167 2.068 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 93 ARG H 1 93 ARG HD3 1.800 . 5.500 4.729 3.300 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 93 ARG HA 1 93 ARG HD3 1.800 . 5.500 3.899 2.269 5.470 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 94 ALA H 1 94 ALA MB 1.800 . 4.500 2.232 2.120 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 95 MET H 1 95 MET HG3 1.800 . 4.500 3.510 3.253 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 95 MET H 1 95 MET HG2 1.800 . 4.500 4.064 3.605 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 95 MET H 1 95 MET HB3 1.800 . 4.000 3.366 3.288 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 95 MET H 1 95 MET HB2 1.800 . 4.000 2.110 2.071 2.168 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 96 GLU H 1 96 GLU QG 1.800 . 4.500 3.209 1.971 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 97 ALA H 1 97 ALA MB 1.800 . 5.500 2.158 2.050 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 99 ARG H 1 99 ARG QG 1.800 . 4.500 3.598 2.150 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 100 LYS H 1 100 LYS HB3 1.800 . 4.000 3.250 2.389 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 100 LYS H 1 100 LYS HB2 1.800 . 4.000 2.712 2.093 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 100 LYS H 1 100 LYS HG3 1.800 . 4.000 3.152 2.121 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 100 LYS H 1 100 LYS HG2 1.800 . 4.000 2.999 1.979 4.014 0.014 29 0 "[ . 1 . 2 . 3]" 1
135 1 101 ALA H 1 101 ALA MB 1.800 . 4.500 2.210 2.078 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 102 GLU H 1 102 GLU QG 1.800 . 4.500 3.973 3.916 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 103 GLU H 1 103 GLU QG 1.800 . 4.500 3.484 2.132 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 104 HIS HA 1 104 HIS HD2 1.800 . 4.000 3.103 2.011 4.003 0.003 22 0 "[ . 1 . 2 . 3]" 1
139 1 105 ILE H 1 105 ILE HB 1.800 . 4.000 2.533 2.324 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 105 ILE H 1 105 ILE MG 1.800 . 4.500 3.723 2.276 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 105 ILE H 1 105 ILE MD 1.800 . 5.500 3.501 2.582 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 106 SER H 1 106 SER HB3 1.800 . 4.000 3.129 2.391 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 106 SER H 1 106 SER HB2 1.800 . 4.000 2.734 2.098 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 112 VAL H 1 112 VAL MG1 1.800 . 4.500 2.565 1.935 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 112 VAL H 1 112 VAL MG2 1.800 . 5.500 2.452 1.826 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 114 TYR H 1 114 TYR QD 1.800 . 5.500 3.289 1.997 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 114 TYR H 1 114 TYR HB3 1.800 . 4.000 2.696 2.247 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 114 TYR H 1 114 TYR HB2 1.800 . 4.000 2.874 2.119 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 115 ALA H 1 115 ALA MB 1.800 . 4.000 2.021 1.989 2.058 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 116 GLN H 1 116 GLN HG3 1.800 . 4.500 3.837 3.131 4.512 0.012 4 0 "[ . 1 . 2 . 3]" 1
151 1 116 GLN H 1 116 GLN HG2 1.800 . 5.500 3.869 2.603 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 117 ALA H 1 117 ALA MB 1.800 . 4.500 2.176 2.061 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 118 SER H 1 118 SER HB3 1.800 . 4.000 2.874 2.073 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 118 SER H 1 118 SER HB2 1.800 . 4.000 2.655 2.157 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 119 ALA H 1 119 ALA MB 1.800 . 4.500 2.185 2.048 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 120 GLU H 1 120 GLU HG3 1.800 . 4.000 3.064 2.108 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 120 GLU H 1 120 GLU HG2 1.800 . 4.000 2.388 1.869 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 121 LEU H 1 121 LEU HB3 1.800 . 4.000 2.877 2.295 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 121 LEU H 1 121 LEU HB2 1.800 . 4.000 2.500 2.112 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 121 LEU H 1 121 LEU HG 1.800 . 5.500 4.110 1.861 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 121 LEU H 1 121 LEU MD1 1.800 . 5.500 4.128 3.472 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 121 LEU H 1 121 LEU MD2 1.800 . 5.500 3.713 2.369 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 122 ALA H 1 122 ALA MB 1.800 . 4.500 2.162 2.042 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 123 LYS H 1 123 LYS QG 1.800 . 4.500 3.269 1.932 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 124 ALA H 1 124 ALA MB 1.800 . 4.500 2.171 2.051 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 125 ILE H 1 125 ILE HB 1.800 . 3.500 2.435 2.216 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 125 ILE H 1 125 ILE MD 1.800 . 5.500 2.473 1.823 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 125 ILE H 1 125 ILE QG 1.800 . 5.500 2.870 1.864 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 125 ILE H 1 125 ILE MG 1.800 . 5.500 3.688 2.868 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 126 ALA H 1 126 ALA MB 1.800 . 4.500 2.154 2.053 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 127 GLN H 1 127 GLN QG 1.800 . 4.500 2.661 1.801 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 128 LEU H 1 128 LEU MD1 1.800 . 5.500 3.934 2.201 4.400 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 128 LEU H 1 128 LEU MD2 1.800 . 5.500 4.176 2.463 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 130 VAL H 1 130 VAL HB 1.800 . 4.000 3.489 2.217 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 130 VAL H 1 130 VAL MG1 1.800 . 4.500 2.407 1.999 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 130 VAL H 1 130 VAL MG2 1.800 . 4.500 2.128 1.805 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 131 ILE H 1 131 ILE HB 1.800 . 4.000 2.816 2.373 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 131 ILE H 1 131 ILE MD 1.800 . 5.500 4.029 3.223 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 131 ILE H 1 131 ILE MG 1.800 . 5.500 2.232 1.832 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 131 ILE HA 1 131 ILE MG 1.800 . 4.500 2.927 2.195 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 131 ILE HA 1 131 ILE MD 1.800 . 5.500 3.805 3.156 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 132 GLU H 1 132 GLU QG 1.800 . 4.500 2.483 1.842 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 133 LEU H 1 133 LEU HB3 1.800 . 4.000 3.181 2.429 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 133 LEU H 1 133 LEU HB2 1.800 . 4.000 2.645 2.096 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 133 LEU H 1 133 LEU MD1 1.800 . 5.500 2.953 1.736 4.043 0.064 6 0 "[ . 1 . 2 . 3]" 1
186 1 133 LEU H 1 133 LEU MD2 1.800 . 5.500 3.798 2.210 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 133 LEU H 1 133 LEU HG 1.800 . 5.500 3.422 1.962 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 133 LEU HA 1 133 LEU MD1 1.800 . 4.500 3.069 2.138 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 133 LEU HA 1 133 LEU MD2 1.800 . 5.500 3.558 1.920 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 134 THR H 1 134 THR HB 1.800 . 4.000 3.360 2.503 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 134 THR H 1 134 THR MG 1.800 . 5.500 2.325 1.876 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 135 LYS H 1 135 LYS QG 1.800 . 4.500 2.414 1.843 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 136 LYS H 1 136 LYS QG 1.800 . 4.500 3.181 1.868 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 137 ALA H 1 137 ALA MB 1.800 . 4.500 2.257 2.042 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 138 MET H 1 138 MET QG 1.800 . 4.500 3.294 2.080 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 2 MET HA 1 3 THR H 1.800 . 3.000 2.497 2.199 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 2 MET QB 1 3 THR H 1.800 . 5.500 3.263 1.846 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 3 THR HA 1 4 TYR QD 1.800 . 5.500 3.066 2.370 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 3 THR HA 1 4 TYR QE 1.800 . 5.500 4.475 3.851 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 3 THR HA 1 4 TYR H 1.800 . 3.000 2.371 2.131 3.001 0.001 21 0 "[ . 1 . 2 . 3]" 1
201 1 3 THR HB 1 4 TYR H 1.800 . 5.500 3.266 1.849 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 3 THR MG 1 4 TYR H 1.800 . 4.500 3.382 1.921 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 4 TYR QD 1 5 HIS H 1.800 . 5.500 2.305 1.852 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 4 TYR HA 1 5 HIS H 1.800 . 3.000 2.858 2.284 3.147 0.147 4 0 "[ . 1 . 2 . 3]" 1
205 1 4 TYR QB 1 5 HIS H 1.800 . 3.500 1.913 1.697 2.319 0.103 20 0 "[ . 1 . 2 . 3]" 1
206 1 5 HIS HE1 1 6 LEU HA 1.800 . 5.500 5.304 3.841 5.679 0.179 12 0 "[ . 1 . 2 . 3]" 1
207 1 5 HIS HA 1 6 LEU H 1.800 . 3.000 2.288 2.197 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 5 HIS HB2 1 6 LEU H 1.800 . 5.500 4.028 3.617 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 6 LEU HA 1 7 ASP H 1.800 . 3.000 2.369 2.229 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 6 LEU MD1 1 7 ASP H 1.800 . 4.000 2.163 1.745 3.273 0.055 7 0 "[ . 1 . 2 . 3]" 1
211 1 6 LEU MD2 1 7 ASP H 1.800 . 5.500 4.261 3.625 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 7 ASP HA 1 8 VAL MG1 1.800 . 5.500 3.845 3.549 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 7 ASP HA 1 8 VAL H 1.800 . 3.000 2.345 2.192 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 7 ASP HB2 1 8 VAL H 1.800 . 5.500 4.663 4.528 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 8 VAL HA 1 9 VAL H 1.800 . 3.000 2.233 2.185 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 8 VAL HB 1 9 VAL H 1.800 . 5.500 4.094 2.885 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 8 VAL QG 1 9 VAL H 1.800 . 4.500 2.804 1.915 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 9 VAL HA 1 10 SER H 1.800 . 3.000 2.412 2.200 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 9 VAL HB 1 10 SER H 1.800 . 5.500 2.890 1.942 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 9 VAL QG 1 10 SER H 1.800 . 4.500 2.829 1.862 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 11 ALA H 1 12 GLU H 1.800 . 4.500 3.266 2.159 4.536 0.036 30 0 "[ . 1 . 2 . 3]" 1
222 1 10 SER HA 1 11 ALA H 1.800 . 3.000 2.615 2.193 3.064 0.064 24 0 "[ . 1 . 2 . 3]" 1
223 1 10 SER HB3 1 11 ALA H 1.800 . 5.500 3.542 1.890 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 10 SER HB2 1 11 ALA H 1.800 . 5.500 3.305 1.880 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 12 GLU H 1 13 GLN H 1.800 . 3.200 2.840 1.886 3.203 0.003 23 0 "[ . 1 . 2 . 3]" 1
226 1 11 ALA HA 1 12 GLU H 1.800 . 4.000 3.194 2.186 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 11 ALA MB 1 12 GLU H 1.800 . 4.500 2.751 1.804 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 12 GLU HA 1 13 GLN H 1.800 . 3.000 2.700 2.320 3.044 0.044 21 0 "[ . 1 . 2 . 3]" 1
229 1 13 GLN H 1 14 GLN H 1.800 . 4.500 3.825 1.947 4.643 0.143 14 0 "[ . 1 . 2 . 3]" 1
230 1 13 GLN HA 1 14 GLN H 1.800 . 3.500 2.530 2.189 3.548 0.048 11 0 "[ . 1 . 2 . 3]" 1
231 1 15 MET H 1 16 PHE H 1.800 . 3.200 2.782 2.011 3.208 0.008 30 0 "[ . 1 . 2 . 3]" 1
232 1 14 GLN HA 1 15 MET H 1.800 . 3.000 2.396 2.190 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 14 GLN QB 1 15 MET H 1.800 . 5.500 3.515 2.298 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 14 GLN QG 1 15 MET H 1.800 . 5.500 3.870 1.952 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 15 MET HA 1 16 PHE H 1.800 . 4.500 3.558 3.499 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 15 MET QB 1 16 PHE H 1.800 . 4.500 2.000 1.807 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 15 MET QG 1 16 PHE H 1.800 . 4.500 3.869 3.583 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 16 PHE QD 1 17 SER HA 1.800 . 4.000 3.430 2.638 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 16 PHE QE 1 17 SER HA 1.800 . 5.500 4.628 4.006 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 16 PHE HA 1 17 SER H 1.800 . 3.000 2.213 2.179 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 SER HA 1 18 GLY H 1.800 . 3.000 2.300 2.186 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 SER HB3 1 18 GLY H 1.800 . 5.500 4.592 4.304 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 18 GLY H 1 19 LEU H 1.800 . 5.500 4.348 4.201 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 18 GLY HA3 1 19 LEU H 1.800 . 3.000 2.445 2.265 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 18 GLY HA2 1 19 LEU H 1.800 . 3.000 2.824 2.259 3.028 0.028 24 0 "[ . 1 . 2 . 3]" 1
246 1 19 LEU HA 1 20 VAL H 1.800 . 3.500 2.495 2.245 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 19 LEU QB 1 20 VAL H 1.800 . 5.500 2.424 1.835 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 19 LEU HG 1 20 VAL H 1.800 . 5.500 4.752 2.418 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 19 LEU MD1 1 20 VAL H 1.800 . 5.500 4.313 3.716 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 19 LEU MD2 1 20 VAL H 1.800 . 5.500 3.458 2.727 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 21 GLU H 1 22 LYS H 1.800 . 3.500 2.151 1.808 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 20 VAL HA 1 21 GLU H 1.800 . 4.000 2.425 2.174 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 20 VAL MG1 1 21 GLU H 1.800 . 5.500 4.061 3.748 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 20 VAL MG2 1 21 GLU H 1.800 . 5.500 2.232 1.771 3.523 0.029 12 0 "[ . 1 . 2 . 3]" 1
255 1 20 VAL HB 1 21 GLU H 1.800 . 4.500 3.466 2.529 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 21 GLU HA 1 22 LYS H 1.800 . 4.000 3.577 3.544 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 21 GLU QB 1 22 LYS H 1.800 . 5.500 2.539 1.863 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 22 LYS HA 1 23 ILE H 1.800 . 4.000 2.260 2.162 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 22 LYS QB 1 23 ILE H 1.800 . 5.500 3.710 3.027 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 22 LYS QG 1 23 ILE H 1.800 . 5.500 3.643 2.309 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 22 LYS QD 1 23 ILE H 1.800 . 5.500 4.494 3.320 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 23 ILE HA 1 24 GLN H 1.800 . 3.000 2.543 2.202 3.039 0.039 1 0 "[ . 1 . 2 . 3]" 1
263 1 23 ILE HB 1 24 GLN H 1.800 . 4.000 3.064 1.815 4.231 0.231 16 0 "[ . 1 . 2 . 3]" 1
264 1 24 GLN HA 1 25 VAL H 1.800 . 3.000 2.259 2.177 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 25 VAL H 1 26 THR H 1.800 . 5.500 4.405 3.977 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 24 GLN HG2 1 25 VAL H 1.800 . 5.500 3.722 2.023 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 25 VAL HA 1 26 THR H 1.800 . 3.000 2.234 2.173 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 25 VAL HB 1 26 THR H 1.800 . 4.000 3.971 3.414 4.062 0.062 23 0 "[ . 1 . 2 . 3]" 1
269 1 25 VAL QG 1 26 THR H 1.800 . 5.500 2.497 1.847 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 26 THR HA 1 27 GLY H 1.800 . 3.000 2.215 2.184 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 26 THR MG 1 27 GLY H 1.800 . 4.500 3.020 2.325 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 28 SER HA 1 29 GLU H 1.800 . 5.500 3.102 2.188 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 28 SER QB 1 29 GLU H 1.800 . 5.500 2.743 1.900 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 29 GLU HA 1 30 GLY H 1.800 . 3.500 2.764 2.194 3.551 0.051 15 0 "[ . 1 . 2 . 3]" 1
275 1 29 GLU QG 1 30 GLY H 1.800 . 5.500 3.788 2.012 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 29 GLU QB 1 30 GLY H 1.800 . 5.500 3.212 1.815 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 30 GLY QA 1 31 GLU H 1.800 . 4.000 2.312 2.165 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 32 LEU H 1 33 GLY H 1.800 . 5.100 4.462 4.097 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 31 GLU HA 1 32 LEU H 1.800 . 3.500 2.769 2.319 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 31 GLU QB 1 32 LEU H 1.800 . 4.500 3.735 1.885 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 31 GLU QG 1 32 LEU H 1.800 . 5.500 4.044 2.148 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 32 LEU HA 1 33 GLY H 1.800 . 3.000 2.327 2.201 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 32 LEU QD 1 33 GLY H 1.800 . 4.500 2.617 2.065 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 33 GLY HA3 1 34 ILE H 1.800 . 3.000 2.349 2.171 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 33 GLY HA2 1 34 ILE H 1.800 . 3.500 3.170 2.531 3.532 0.032 16 0 "[ . 1 . 2 . 3]" 1
286 1 37 GLY HA3 1 38 HIS H 1.800 . 5.500 3.447 3.009 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 37 GLY HA2 1 38 HIS H 1.800 . 5.500 3.049 2.679 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 38 HIS HA 1 39 ALA H 1.800 . 4.000 2.613 2.188 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 40 PRO HA 1 41 LEU MD2 1.800 . 5.500 4.235 3.339 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 40 PRO HA 1 41 LEU H 1.800 . 4.000 2.493 2.261 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 42 LEU H 1 43 THR H 1.800 . 5.500 2.939 2.024 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 41 LEU HA 1 42 LEU H 1.800 . 3.000 2.305 2.185 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 41 LEU QB 1 42 LEU H 1.800 . 5.500 3.109 2.301 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 43 THR H 1 44 ALA H 1.800 . 5.500 3.916 2.515 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 42 LEU HA 1 43 THR H 1.800 . 3.000 2.640 2.184 3.422 0.422 3 0 "[ . 1 . 2 . 3]" 1
296 1 42 LEU QB 1 43 THR H 1.800 . 5.500 3.857 1.808 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 42 LEU HG 1 43 THR H 1.800 . 5.500 4.205 2.802 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 42 LEU QD 1 43 THR H 1.800 . 5.500 3.858 3.415 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 43 THR HA 1 44 ALA H 1.800 . 4.000 3.100 2.699 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 43 THR HB 1 44 ALA H 1.800 . 5.500 2.530 1.887 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 43 THR MG 1 44 ALA H 1.800 . 5.500 3.126 1.825 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 44 ALA HA 1 45 ILE H 1.800 . 3.500 2.471 2.181 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 44 ALA MB 1 45 ILE H 1.800 . 5.500 2.509 1.952 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 45 ILE HA 1 46 LYS H 1.800 . 3.000 2.533 2.189 3.213 0.213 19 0 "[ . 1 . 2 . 3]" 1
305 1 45 ILE QG 1 46 LYS H 1.800 . 5.500 2.391 1.794 3.746 0.006 3 0 "[ . 1 . 2 . 3]" 1
306 1 45 ILE MD 1 46 LYS H 1.800 . 5.500 4.100 2.693 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 47 PRO HA 1 48 GLY H 1.800 . 3.000 2.401 2.222 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 48 GLY HA3 1 49 MET H 1.800 . 3.000 2.298 2.188 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 48 GLY HA2 1 49 MET H 1.800 . 4.000 2.996 2.819 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 49 MET HA 1 50 ILE H 1.800 . 3.000 2.660 2.503 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 49 MET HB3 1 50 ILE H 1.800 . 4.500 3.626 3.410 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 49 MET HB2 1 50 ILE H 1.800 . 5.500 2.151 1.853 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 50 ILE HA 1 51 ARG H 1.800 . 3.000 2.238 2.169 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 51 ARG HA 1 52 ILE H 1.800 . 3.000 2.361 2.200 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 53 VAL H 1 54 LYS H 1.800 . 5.500 3.991 3.204 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 52 ILE HA 1 53 VAL H 1.800 . 3.000 2.382 2.206 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 52 ILE MG 1 53 VAL H 1.800 . 5.500 2.267 1.755 3.534 0.045 1 0 "[ . 1 . 2 . 3]" 1
318 1 52 ILE MD 1 53 VAL H 1.800 . 5.500 4.366 3.743 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 53 VAL QG 1 54 LYS HA 1.800 . 5.500 3.838 3.140 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 54 LYS H 1 55 GLN H 1.800 . 5.500 4.363 3.601 4.695 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 53 VAL HA 1 54 LYS H 1.800 . 3.000 2.233 2.159 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 53 VAL HB 1 54 LYS H 1.800 . 4.500 4.417 3.921 4.531 0.031 5 0 "[ . 1 . 2 . 3]" 1
323 1 53 VAL MG1 1 54 LYS H 1.800 . 4.500 3.008 1.862 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 53 VAL MG2 1 54 LYS H 1.800 . 5.500 4.045 3.590 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 54 LYS HA 1 55 GLN H 1.800 . 4.000 2.623 2.159 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 54 LYS QG 1 55 GLN H 1.800 . 5.500 3.087 1.869 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 54 LYS QB 1 55 GLN H 1.800 . 5.500 2.890 1.787 3.863 0.013 6 0 "[ . 1 . 2 . 3]" 1
328 1 55 GLN H 1 56 HIS H 1.800 . 5.500 3.857 2.739 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 56 HIS H 1 57 GLY H 1.800 . 5.500 3.148 1.859 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 55 GLN HA 1 56 HIS H 1.800 . 5.500 3.223 2.276 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 57 GLY H 1 58 HIS H 1.800 . 5.500 3.451 2.098 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 56 HIS HA 1 57 GLY H 1.800 . 4.000 2.813 2.194 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 57 GLY QA 1 58 HIS H 1.800 . 5.500 2.354 2.150 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 58 HIS H 1 59 GLU H 1.800 . 5.500 4.082 1.865 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 58 HIS HA 1 59 GLU H 1.800 . 4.000 2.681 2.181 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 58 HIS HB3 1 59 GLU H 1.800 . 5.500 2.814 1.897 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 58 HIS HB2 1 59 GLU H 1.800 . 5.500 3.632 1.977 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 59 GLU HA 1 60 GLU H 1.800 . 3.000 2.311 2.198 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 59 GLU QG 1 60 GLU H 1.800 . 5.500 4.116 3.396 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 59 GLU QB 1 60 GLU H 1.800 . 5.500 2.888 2.102 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 60 GLU HA 1 61 PHE H 1.800 . 3.000 2.348 2.184 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 60 GLU QG 1 61 PHE H 1.800 . 5.500 3.514 2.157 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 60 GLU QB 1 61 PHE H 1.800 . 4.000 2.889 1.990 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 61 PHE QD 1 62 ILE H 1.800 . 5.300 4.111 3.384 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 61 PHE HA 1 62 ILE H 1.800 . 3.000 2.251 2.183 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 61 PHE QB 1 62 ILE H 1.800 . 4.300 3.128 2.199 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 62 ILE HA 1 63 TYR H 1.800 . 3.000 2.663 2.267 3.021 0.021 30 0 "[ . 1 . 2 . 3]" 1
348 1 63 TYR QD 1 64 LEU H 1.800 . 5.500 3.450 2.869 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 63 TYR HA 1 64 LEU H 1.800 . 3.000 2.243 2.186 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 63 TYR QB 1 64 LEU H 1.800 . 5.500 3.664 3.391 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 65 SER H 1 66 GLY H 1.800 . 4.300 2.750 1.901 4.352 0.052 21 0 "[ . 1 . 2 . 3]" 1
352 1 66 GLY H 1 67 GLY H 1.800 . 5.500 4.037 1.990 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 65 SER QB 1 66 GLY H 1.800 . 5.500 3.038 1.840 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 66 GLY QA 1 67 GLY H 1.800 . 3.000 2.268 2.164 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 67 GLY H 1 68 ILE H 1.800 . 5.500 4.357 3.513 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 67 GLY QA 1 68 ILE H 1.800 . 3.000 2.281 2.153 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 68 ILE H 1 69 LEU H 1.800 . 5.500 4.429 4.189 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 68 ILE HA 1 69 LEU H 1.800 . 3.000 2.258 2.188 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 69 LEU HA 1 70 GLU H 1.800 . 3.000 2.366 2.164 3.088 0.088 21 0 "[ . 1 . 2 . 3]" 1
360 1 70 GLU HA 1 71 VAL H 1.800 . 3.000 2.244 2.207 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 71 VAL HA 1 72 GLN H 1.800 . 3.000 2.262 2.177 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 71 VAL MG2 1 72 GLN H 1.800 . 4.000 2.186 1.817 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 71 VAL HB 1 72 GLN H 1.800 . 5.500 4.134 3.890 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 73 PRO HA 1 74 GLY H 1.800 . 4.000 2.450 2.232 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 75 ASN H 1 76 VAL H 1.800 . 5.500 4.259 3.289 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 74 GLY QA 1 75 ASN H 1.800 . 4.500 2.881 2.694 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 74 GLY QA 1 75 ASN HA 1.800 . 5.500 4.112 4.036 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 75 ASN HA 1 76 VAL H 1.800 . 3.000 2.419 2.193 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 75 ASN QB 1 76 VAL H 1.800 . 5.500 2.679 1.997 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 76 VAL HA 1 77 THR H 1.800 . 3.000 2.382 2.206 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 76 VAL HB 1 77 THR H 1.800 . 5.500 3.468 2.277 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 76 VAL QG 1 77 THR H 1.800 . 4.500 2.394 1.749 3.341 0.051 1 0 "[ . 1 . 2 . 3]" 1
373 1 77 THR HA 1 78 VAL H 1.800 . 3.000 2.304 2.186 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 77 THR MG 1 78 VAL H 1.800 . 4.500 2.762 1.854 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 77 THR HB 1 78 VAL H 1.800 . 5.500 3.531 2.265 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 78 VAL HA 1 79 LEU H 1.800 . 3.500 2.267 2.189 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 78 VAL HB 1 79 LEU H 1.800 . 5.500 3.524 2.542 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 79 LEU HA 1 80 ALA H 1.800 . 3.500 2.287 2.182 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 80 ALA H 1 81 ASP H 1.800 . 5.500 4.391 4.162 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 79 LEU QB 1 80 ALA H 1.800 . 5.500 3.088 2.232 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 81 ASP H 1 82 THR H 1.800 . 5.500 2.088 1.852 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 80 ALA HA 1 81 ASP H 1.800 . 3.000 2.669 2.391 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 80 ALA MB 1 81 ASP H 1.800 . 3.500 2.141 1.810 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 82 THR H 1 83 ALA H 1.800 . 5.500 4.472 4.116 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 81 ASP HA 1 82 THR H 1.800 . 4.500 3.501 3.157 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 81 ASP HB3 1 82 THR H 1.800 . 5.500 3.344 2.404 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 81 ASP HB2 1 82 THR H 1.800 . 4.500 3.332 2.331 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 82 THR HA 1 83 ALA H 1.800 . 3.000 2.329 2.190 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 82 THR HB 1 83 ALA H 1.800 . 5.500 4.051 3.641 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 82 THR MG 1 83 ALA H 1.800 . 4.500 2.346 1.785 3.309 0.015 24 0 "[ . 1 . 2 . 3]" 1
391 1 83 ALA H 1 84 ILE H 1.800 . 5.500 3.851 2.792 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 83 ALA HA 1 84 ILE H 1.800 . 3.000 2.306 2.188 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 83 ALA MB 1 84 ILE H 1.800 . 5.500 3.303 2.402 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 84 ILE HA 1 85 ARG H 1.800 . 3.500 2.725 2.202 3.556 0.056 3 0 "[ . 1 . 2 . 3]" 1
395 1 86 GLY H 1 87 GLN H 1.800 . 5.500 3.632 2.619 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 85 ARG HA 1 86 GLY H 1.800 . 3.000 2.362 2.197 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 85 ARG QB 1 86 GLY H 1.800 . 5.500 3.331 2.400 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 85 ARG QG 1 86 GLY H 1.800 . 5.500 3.025 1.815 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 86 GLY QA 1 87 GLN H 1.800 . 5.500 2.490 2.150 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 87 GLN H 1 88 ASP H 1.800 . 4.000 3.036 2.229 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 88 ASP H 1 89 LEU H 1.800 . 3.200 2.752 2.156 3.245 0.045 18 0 "[ . 1 . 2 . 3]" 1
402 1 87 GLN HA 1 88 ASP H 1.800 . 4.500 2.953 2.267 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 87 GLN QB 1 88 ASP H 1.800 . 4.500 3.396 1.928 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 87 GLN QG 1 88 ASP H 1.800 . 4.500 3.916 3.389 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 88 ASP HA 1 89 LEU H 1.800 . 5.500 3.377 2.714 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 88 ASP HB3 1 89 LEU H 1.800 . 5.500 3.159 1.896 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 88 ASP HB2 1 89 LEU H 1.800 . 5.500 3.888 2.638 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 89 LEU H 1 90 ASP H 1.800 . 5.500 3.506 2.263 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 89 LEU HB3 1 90 ASP QB 1.800 . 5.500 3.744 3.019 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 89 LEU HB2 1 90 ASP QB 1.800 . 5.500 4.562 3.904 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 89 LEU HA 1 90 ASP H 1.800 . 4.000 3.017 2.196 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 89 LEU QB 1 90 ASP H 1.800 . 5.500 2.642 1.808 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 92 ALA H 1 93 ARG H 1.800 . 3.200 2.457 2.306 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 91 GLU HA 1 92 ALA H 1.800 . 4.500 3.540 3.298 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 91 GLU QB 1 92 ALA H 1.800 . 4.500 2.620 1.847 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 91 GLU QG 1 92 ALA H 1.800 . 5.500 3.200 1.800 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 92 ALA H 1 93 ARG QB 1.800 . 5.500 4.277 4.017 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 93 ARG H 1 94 ALA H 1.800 . 3.200 2.538 2.367 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 92 ALA HA 1 93 ARG H 1.800 . 4.500 3.447 3.364 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 92 ALA MB 1 93 ARG H 1.800 . 4.500 2.988 2.657 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 93 ARG H 1 94 ALA MB 1.800 . 5.500 4.091 3.889 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 94 ALA H 1 95 MET H 1.800 . 3.200 2.259 2.210 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 93 ARG HA 1 94 ALA H 1.800 . 4.500 3.343 3.207 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 94 ALA H 1 95 MET HB3 1.800 . 5.500 5.532 5.518 5.559 0.059 24 0 "[ . 1 . 2 . 3]" 1
425 1 94 ALA H 1 95 MET HB2 1.800 . 4.500 4.032 4.012 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 94 ALA H 1 95 MET QG 1.800 . 5.500 4.886 4.788 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 93 ARG QB 1 94 ALA H 1.800 . 5.500 3.312 2.852 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 93 ARG QG 1 94 ALA H 1.800 . 5.500 4.337 2.795 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 95 MET H 1 96 GLU H 1.800 . 3.200 2.498 2.278 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 94 ALA HA 1 95 MET H 1.800 . 4.500 3.435 3.311 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 94 ALA MB 1 95 MET H 1.800 . 4.500 2.965 2.556 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 96 GLU H 1 97 ALA H 1.800 . 3.200 2.544 2.285 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 95 MET HG3 1 96 GLU H 1.800 . 5.300 5.112 4.793 5.316 0.016 4 0 "[ . 1 . 2 . 3]" 1
434 1 95 MET HG2 1 96 GLU H 1.800 . 5.500 5.011 4.779 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 96 GLU H 1 97 ALA MB 1.800 . 5.500 4.157 3.908 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 95 MET HA 1 96 GLU H 1.800 . 4.500 3.490 3.346 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 97 ALA H 1 98 LYS H 1.800 . 3.200 2.615 2.309 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 96 GLU HA 1 97 ALA H 1.800 . 4.500 3.444 3.245 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 96 GLU QG 1 97 ALA H 1.800 . 5.500 4.281 2.211 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 96 GLU QB 1 97 ALA H 1.800 . 4.500 3.058 2.175 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 97 ALA H 1 98 LYS QB 1.800 . 5.500 4.392 4.032 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 98 LYS H 1 99 ARG H 1.800 . 3.200 2.630 2.283 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 97 ALA HA 1 98 LYS H 1.800 . 5.500 3.528 3.318 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 97 ALA MB 1 98 LYS H 1.800 . 4.500 2.638 2.095 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 99 ARG H 1 100 LYS H 1.800 . 3.200 2.563 2.278 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 98 LYS HA 1 99 ARG H 1.800 . 4.500 3.497 3.313 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 100 LYS H 1 101 ALA H 1.800 . 3.200 2.508 2.313 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 99 ARG HA 1 100 LYS H 1.800 . 4.500 3.547 3.458 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 101 ALA H 1 102 GLU H 1.800 . 3.200 2.352 2.248 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 100 LYS HA 1 101 ALA H 1.800 . 4.500 3.404 3.220 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 100 LYS QB 1 101 ALA H 1.800 . 5.500 3.306 2.752 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 100 LYS QG 1 101 ALA H 1.800 . 5.500 3.829 2.177 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 101 ALA H 1 102 GLU HB3 1.800 . 4.500 4.492 4.387 4.528 0.028 4 0 "[ . 1 . 2 . 3]" 1
454 1 101 ALA H 1 102 GLU HB2 1.800 . 5.500 4.815 4.579 5.311 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 102 GLU H 1 103 GLU H 1.800 . 3.200 2.579 2.327 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 101 ALA HA 1 102 GLU H 1.800 . 5.500 3.489 3.336 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 101 ALA MB 1 102 GLU H 1.800 . 4.500 2.802 2.164 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 103 GLU H 1 104 HIS H 1.800 . 3.200 2.638 2.287 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 102 GLU HA 1 103 GLU H 1.800 . 4.500 3.510 3.394 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 102 GLU QB 1 103 GLU H 1.800 . 4.500 2.800 2.434 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 103 GLU H 1 104 HIS QB 1.800 . 5.500 4.448 4.030 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 104 HIS H 1 105 ILE H 1.800 . 3.200 2.517 2.293 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 103 GLU HA 1 104 HIS H 1.800 . 4.500 3.515 3.353 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 103 GLU QB 1 104 HIS H 1.800 . 4.000 2.788 2.225 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 103 GLU QG 1 104 HIS H 1.800 . 5.500 4.150 1.991 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 104 HIS H 1 105 ILE HB 1.800 . 5.500 4.809 4.435 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 105 ILE H 1 106 SER H 1.800 . 3.500 2.649 2.295 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 104 HIS HA 1 105 ILE H 1.800 . 5.500 3.509 3.274 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 104 HIS QB 1 105 ILE H 1.800 . 4.500 2.789 2.049 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 105 ILE HA 1 106 SER H 1.800 . 4.500 3.230 2.999 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 106 SER H 1 107 SER H 1.800 . 4.200 3.469 2.130 4.302 0.102 26 0 "[ . 1 . 2 . 3]" 1
472 1 105 ILE HB 1 106 SER H 1.800 . 4.000 3.636 2.615 4.024 0.024 7 0 "[ . 1 . 2 . 3]" 1
473 1 105 ILE MG 1 106 SER H 1.800 . 5.500 3.972 2.250 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 107 SER H 1 108 SER H 1.800 . 4.500 4.128 1.886 4.610 0.110 28 0 "[ . 1 . 2 . 3]" 1
475 1 106 SER HA 1 107 SER H 1.800 . 5.500 2.852 2.158 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 106 SER QB 1 107 SER H 1.800 . 5.500 3.444 1.819 4.069 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 109 HIS HA 1 110 GLY H 1.800 . 5.500 2.844 2.193 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 110 GLY H 1 111 ASP H 1.800 . 5.500 4.138 1.923 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 110 GLY HA3 1 111 ASP H 1.800 . 5.500 2.804 2.241 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 110 GLY HA2 1 111 ASP H 1.800 . 4.500 2.583 2.195 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 111 ASP HB3 1 112 VAL MG1 1.800 . 5.500 2.916 2.174 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 111 ASP HB2 1 112 VAL MG1 1.800 . 5.500 3.821 2.362 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 112 VAL H 1 113 ASP H 1.800 . 4.200 2.452 1.835 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 111 ASP HB3 1 112 VAL H 1.800 . 5.500 2.791 1.870 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 111 ASP HB2 1 112 VAL H 1.800 . 5.500 3.235 1.862 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 111 ASP HA 1 112 VAL H 1.800 . 5.500 3.198 2.191 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 112 VAL MG2 1 113 ASP QB 1.800 . 5.500 4.038 3.643 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 113 ASP H 1 114 TYR H 1.800 . 4.200 3.453 3.124 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 112 VAL HA 1 113 ASP H 1.800 . 4.000 3.124 2.851 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 112 VAL HB 1 113 ASP H 1.800 . 4.500 4.391 3.929 4.517 0.017 1 0 "[ . 1 . 2 . 3]" 1
491 1 112 VAL MG1 1 113 ASP H 1.800 . 5.500 4.101 2.090 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 112 VAL MG2 1 113 ASP H 1.800 . 4.500 3.058 1.843 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 114 TYR H 1 115 ALA H 1.800 . 4.200 2.452 2.337 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 113 ASP HA 1 114 TYR H 1.800 . 4.000 3.489 3.470 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 113 ASP QB 1 114 TYR H 1.800 . 4.500 1.866 1.777 1.961 0.023 8 0 "[ . 1 . 2 . 3]" 1
496 1 114 TYR H 1 115 ALA MB 1.800 . 5.500 3.996 3.885 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 115 ALA H 1 116 GLN H 1.800 . 3.200 2.634 2.451 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 114 TYR QD 1 115 ALA H 1.800 . 5.500 3.975 2.884 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 114 TYR HA 1 115 ALA H 1.800 . 4.500 3.419 3.335 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 114 TYR HB3 1 115 ALA H 1.800 . 5.500 3.537 3.019 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 114 TYR HB2 1 115 ALA H 1.800 . 4.500 3.976 3.092 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 115 ALA H 1 116 GLN HB2 1.800 . 5.500 4.587 4.244 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 113 ASP QB 1 115 ALA H 1.800 . 5.500 3.393 3.347 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 116 GLN H 1 117 ALA H 1.800 . 3.200 2.460 2.256 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 115 ALA HA 1 116 GLN H 1.800 . 4.500 3.500 3.347 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 115 ALA MB 1 116 GLN H 1.800 . 4.500 2.826 2.410 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 116 GLN H 1 117 ALA MB 1.800 . 5.500 4.112 3.870 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 117 ALA H 1 118 SER H 1.800 . 3.200 2.502 2.261 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 116 GLN HA 1 117 ALA H 1.800 . 4.500 3.488 3.304 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 116 GLN HG2 1 117 ALA H 1.800 . 5.500 4.922 4.535 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 116 GLN QB 1 117 ALA H 1.800 . 4.000 2.894 2.385 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 118 SER H 1 119 ALA H 1.800 . 3.200 2.588 2.312 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 117 ALA HA 1 118 SER H 1.800 . 4.500 3.438 3.315 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 118 SER H 1 119 ALA MB 1.800 . 5.500 4.218 3.924 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 117 ALA MB 1 118 SER H 1.800 . 4.500 2.992 2.586 3.261 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 119 ALA H 1 120 GLU H 1.800 . 3.200 2.459 2.284 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 118 SER HA 1 119 ALA H 1.800 . 4.000 3.456 3.210 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 118 SER QB 1 119 ALA H 1.800 . 4.500 3.070 2.346 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 119 ALA H 1 120 GLU QB 1.800 . 5.500 4.608 4.322 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 120 GLU H 1 121 LEU H 1.800 . 3.200 2.536 2.363 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 119 ALA HA 1 120 GLU H 1.800 . 5.500 3.520 3.397 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 119 ALA MB 1 120 GLU H 1.800 . 5.500 2.712 2.195 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 121 LEU H 1 122 ALA H 1.800 . 3.200 2.630 2.254 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 120 GLU HA 1 121 LEU H 1.800 . 5.500 3.457 3.288 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 120 GLU HG3 1 121 LEU H 1.800 . 5.500 3.834 1.870 5.416 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 120 GLU HG2 1 121 LEU H 1.800 . 4.500 3.784 1.976 4.513 0.013 21 0 "[ . 1 . 2 . 3]" 1
527 1 121 LEU H 1 122 ALA MB 1.800 . 5.500 4.226 3.936 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 122 ALA H 1 123 LYS H 1.800 . 3.200 2.717 2.478 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 121 LEU HA 1 122 ALA H 1.800 . 4.500 3.573 3.477 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 121 LEU QB 1 122 ALA H 1.800 . 4.500 2.375 2.002 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 121 LEU MD1 1 122 ALA H 1.800 . 5.500 4.230 3.165 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 121 LEU MD2 1 122 ALA H 1.800 . 5.500 3.721 2.279 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 121 LEU HG 1 122 ALA H 1.800 . 5.500 4.134 2.995 5.452 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 123 LYS H 1 124 ALA H 1.800 . 3.200 2.651 2.336 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 122 ALA HA 1 123 LYS H 1.800 . 5.500 3.454 3.217 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 122 ALA MB 1 123 LYS H 1.800 . 5.500 2.932 2.520 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 124 ALA H 1 125 ILE H 1.800 . 3.200 2.462 2.291 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 123 LYS HA 1 124 ALA H 1.800 . 4.500 3.530 3.409 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 123 LYS QB 1 124 ALA H 1.800 . 4.500 2.814 2.130 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 124 ALA H 1 125 ILE HB 1.800 . 5.500 4.643 4.076 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 124 ALA H 1 125 ILE MD 1.800 . 5.500 3.700 2.713 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 125 ILE H 1 126 ALA H 1.800 . 3.200 2.520 2.316 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 124 ALA HA 1 125 ILE H 1.800 . 4.000 3.443 3.331 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 124 ALA MB 1 125 ILE H 1.800 . 4.500 2.993 2.645 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 125 ILE H 1 126 ALA MB 1.800 . 5.500 4.089 3.878 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 126 ALA H 1 127 GLN H 1.800 . 3.200 2.488 2.271 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 125 ILE HA 1 126 ALA H 1.800 . 5.500 3.348 3.233 3.443 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 125 ILE HB 1 126 ALA H 1.800 . 5.500 3.465 3.137 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 125 ILE MD 1 126 ALA H 1.800 . 5.500 4.218 3.854 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 125 ILE MG 1 126 ALA H 1.800 . 5.500 3.850 2.971 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 127 GLN H 1 128 LEU H 1.800 . 3.200 2.468 2.275 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 126 ALA HA 1 127 GLN H 1.800 . 5.500 3.489 3.312 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 128 LEU H 1 129 ARG H 1.800 . 3.200 2.458 2.276 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 127 GLN HA 1 128 LEU H 1.800 . 4.500 3.448 3.251 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 127 GLN QB 1 128 LEU H 1.800 . 5.500 3.343 2.580 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 129 ARG H 1 130 VAL H 1.800 . 3.200 2.451 2.292 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 128 LEU HA 1 129 ARG H 1.800 . 5.500 3.443 3.188 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 129 ARG H 1 130 VAL MG1 1.800 . 5.500 4.133 3.601 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 130 VAL H 1 131 ILE H 1.800 . 3.200 2.536 2.272 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 129 ARG HA 1 130 VAL H 1.800 . 5.500 3.541 3.451 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 129 ARG QB 1 130 VAL H 1.800 . 4.500 2.695 2.165 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 131 ILE H 1 132 GLU H 1.800 . 3.200 2.536 2.286 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 130 VAL HA 1 131 ILE H 1.800 . 5.500 3.498 3.373 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 130 VAL HB 1 131 ILE H 1.800 . 5.500 3.841 3.342 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 130 VAL MG1 1 131 ILE H 1.800 . 5.500 3.803 2.029 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 131 ILE MD 1 132 GLU HG2 1.800 . 5.500 4.102 2.516 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 131 ILE MG 1 132 GLU HG2 1.800 . 5.500 3.181 2.004 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 132 GLU H 1 133 LEU H 1.800 . 3.200 2.622 2.395 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 131 ILE HA 1 132 GLU H 1.800 . 5.500 3.517 3.329 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 131 ILE HB 1 132 GLU H 1.800 . 5.500 3.776 2.093 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 131 ILE MD 1 132 GLU H 1.800 . 5.500 4.123 2.565 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 133 LEU H 1 134 THR H 1.800 . 3.200 2.531 2.264 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 132 GLU HA 1 133 LEU H 1.800 . 5.500 3.495 3.369 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 132 GLU QB 1 133 LEU H 1.800 . 4.000 2.892 2.379 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 133 LEU H 1 134 THR MG 1.800 . 5.500 4.037 3.413 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 134 THR H 1 135 LYS H 1.800 . 3.200 2.647 2.301 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 133 LEU HA 1 134 THR H 1.800 . 5.500 3.494 3.189 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 133 LEU HB3 1 134 THR H 1.800 . 5.500 3.430 2.804 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 133 LEU MD1 1 134 THR H 1.800 . 5.500 3.988 1.986 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 133 LEU MD2 1 134 THR H 1.800 . 5.500 4.398 3.280 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 133 LEU HG 1 134 THR H 1.800 . 5.500 4.259 2.132 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 134 THR H 1 135 LYS QB 1.800 . 5.500 4.635 4.297 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 134 THR H 1 135 LYS QG 1.800 . 5.500 4.349 3.506 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 135 LYS H 1 136 LYS H 1.800 . 3.200 2.712 2.394 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 134 THR MG 1 135 LYS H 1.800 . 5.500 3.705 2.239 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 134 THR HA 1 135 LYS H 1.800 . 4.500 3.452 3.254 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 136 LYS H 1 137 ALA H 1.800 . 3.200 2.533 1.978 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 135 LYS HA 1 136 LYS H 1.800 . 4.500 3.530 3.348 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 136 LYS H 1 137 ALA MB 1.800 . 5.500 3.940 3.470 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 137 ALA H 1 138 MET H 1.800 . 3.200 2.614 1.913 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 136 LYS HA 1 137 ALA H 1.800 . 5.500 3.203 2.729 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 136 LYS QB 1 137 ALA H 1.800 . 5.500 3.503 2.480 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 137 ALA HA 1 138 MET H 1.800 . 4.500 3.436 2.797 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 137 ALA MB 1 138 MET H 1.800 . 4.500 2.740 1.887 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 4 TYR QD 1 6 LEU HA 1.800 . 5.500 4.009 3.014 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 4 TYR QE 1 6 LEU HA 1.800 . 4.000 3.653 3.536 4.029 0.029 21 0 "[ . 1 . 2 . 3]" 1
597 1 7 ASP HA 1 9 VAL QG 1.800 . 5.500 4.005 3.686 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 10 SER H 1 13 GLN H 1.800 . 5.500 3.384 2.518 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 16 PHE QD 1 20 VAL MG2 1.800 . 5.500 4.246 4.104 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 16 PHE QE 1 20 VAL MG2 1.800 . 4.500 3.016 2.455 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 16 PHE QE 1 20 VAL MG1 1.800 . 4.500 2.167 1.732 3.089 0.068 20 0 "[ . 1 . 2 . 3]" 1
602 1 16 PHE QD 1 20 VAL MG1 1.800 . 5.500 3.681 3.102 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 16 PHE HZ 1 20 VAL MG1 1.800 . 4.000 2.908 1.788 3.391 0.012 21 0 "[ . 1 . 2 . 3]" 1
604 1 16 PHE QD 1 18 GLY H 1.800 . 4.000 3.340 2.916 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 16 PHE QE 1 18 GLY H 1.800 . 4.000 3.204 2.281 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 16 PHE HZ 1 18 GLY H 1.800 . 5.500 4.889 3.864 5.514 0.014 11 0 "[ . 1 . 2 . 3]" 1
607 1 16 PHE QE 1 19 LEU H 1.800 . 5.500 4.635 3.818 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 16 PHE HZ 1 19 LEU H 1.800 . 5.500 5.010 4.384 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 20 VAL MG2 1 22 LYS H 1.800 . 5.500 2.920 2.074 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 20 VAL MG2 1 23 ILE HA 1.800 . 5.500 4.125 3.733 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 27 GLY H 1 31 GLU HA 1.800 . 5.500 3.397 2.672 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 32 LEU HB3 1 34 ILE MD 1.800 . 5.500 4.644 4.594 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 33 GLY HA3 1 35 TYR QE 1.800 . 5.500 4.278 2.981 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 33 GLY HA2 1 35 TYR QE 1.800 . 5.500 4.848 4.018 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 35 TYR QE 1 38 HIS HA 1.800 . 5.500 3.420 1.960 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 32 LEU HB3 1 35 TYR QE 1.800 . 5.500 2.818 2.599 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 32 LEU HB3 1 35 TYR QD 1.800 . 5.500 4.956 4.928 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 38 HIS HE1 1 41 LEU QB 1.800 . 4.500 3.523 2.270 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 50 ILE MD 1 52 ILE HG12 1.800 . 5.500 4.037 1.942 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 50 ILE MD 1 52 ILE MD 1.800 . 5.500 2.661 1.724 3.732 0.076 3 0 "[ . 1 . 2 . 3]" 1
621 1 50 ILE MG 1 52 ILE MD 1.800 . 5.500 3.411 1.993 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 52 ILE MG 1 54 LYS H 1.800 . 5.500 3.754 2.739 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 72 GLN H 1 75 ASN H 1.800 . 4.500 3.757 3.055 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 72 GLN H 1 76 VAL HA 1.800 . 5.500 2.564 1.906 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 72 GLN QG 1 75 ASN H 1.800 . 5.500 4.611 3.508 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 72 GLN QB 1 75 ASN H 1.800 . 4.500 2.970 2.271 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 71 VAL MG2 1 75 ASN H 1.800 . 5.500 4.433 3.887 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 85 ARG H 1 88 ASP QB 1.800 . 5.500 3.723 2.255 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 85 ARG H 1 88 ASP H 1.800 . 5.500 4.857 3.451 5.511 0.011 20 0 "[ . 1 . 2 . 3]" 1
630 1 91 GLU HA 1 94 ALA MB 1.800 . 4.500 3.360 2.700 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 92 ALA HA 1 95 MET QB 1.800 . 4.500 3.216 2.158 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 93 ARG H 1 95 MET H 1.800 . 5.500 4.218 3.698 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 91 GLU HA 1 93 ARG H 1.800 . 4.500 4.163 3.345 4.508 0.008 27 0 "[ . 1 . 2 . 3]" 1
634 1 90 ASP HA 1 93 ARG H 1.800 . 5.500 4.611 3.330 5.331 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 93 ARG HA 1 96 GLU QB 1.800 . 4.500 3.440 2.565 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 91 GLU HA 1 94 ALA H 1.800 . 4.500 4.038 3.518 4.518 0.018 7 0 "[ . 1 . 2 . 3]" 1
637 1 94 ALA H 1 96 GLU H 1.800 . 5.500 4.025 3.619 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 94 ALA HA 1 97 ALA MB 1.800 . 4.500 3.013 1.960 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 92 ALA HA 1 95 MET H 1.800 . 4.500 3.552 3.032 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 93 ARG HA 1 95 MET H 1.800 . 5.500 3.862 3.422 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 95 MET H 1 97 ALA H 1.800 . 5.500 4.043 3.592 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 95 MET HA 1 98 LYS QB 1.800 . 4.500 3.525 2.457 4.022 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 96 GLU H 1 98 LYS H 1.800 . 5.500 4.408 3.831 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 93 ARG HA 1 96 GLU H 1.800 . 4.500 3.655 3.317 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 96 GLU HA 1 99 ARG QB 1.800 . 4.500 2.900 2.093 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 94 ALA HA 1 97 ALA H 1.800 . 4.500 3.550 3.045 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 97 ALA H 1 99 ARG H 1.800 . 5.500 4.017 3.604 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 97 ALA HA 1 100 LYS QB 1.800 . 4.500 3.252 1.903 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 98 LYS H 1 100 LYS H 1.800 . 5.500 4.288 3.499 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 95 MET HA 1 98 LYS H 1.800 . 4.500 3.672 3.163 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 98 LYS HA 1 101 ALA MB 1.800 . 4.500 2.554 1.947 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 96 GLU HA 1 99 ARG H 1.800 . 4.500 3.477 2.955 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 99 ARG H 1 101 ALA H 1.800 . 5.500 3.767 3.450 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 97 ALA HA 1 100 LYS H 1.800 . 4.500 3.443 3.077 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 98 LYS HA 1 100 LYS H 1.800 . 5.500 4.486 3.970 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 100 LYS HA 1 103 GLU QB 1.800 . 4.500 3.263 2.526 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 101 ALA H 1 103 GLU H 1.800 . 5.500 3.990 3.538 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 99 ARG HA 1 101 ALA H 1.800 . 5.500 3.950 3.580 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 98 LYS HA 1 101 ALA H 1.800 . 4.500 3.496 3.124 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 101 ALA HA 1 104 HIS QB 1.800 . 4.500 3.151 2.352 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 99 ARG HA 1 102 GLU H 1.800 . 4.500 3.664 2.931 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 98 LYS HA 1 102 GLU H 1.800 . 5.500 4.370 3.670 5.521 0.021 25 0 "[ . 1 . 2 . 3]" 1
663 1 102 GLU HA 1 105 ILE HB 1.800 . 4.500 2.922 1.914 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 100 LYS HA 1 103 GLU H 1.800 . 4.500 3.689 3.245 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 103 GLU H 1 105 ILE H 1.800 . 5.500 4.116 3.546 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 104 HIS H 1 106 SER H 1.800 . 5.500 3.987 3.453 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 101 ALA HA 1 104 HIS H 1.800 . 4.500 3.509 3.045 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 102 GLU HA 1 104 HIS H 1.800 . 5.500 4.128 3.664 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 103 GLU HA 1 105 ILE H 1.800 . 5.500 4.340 3.649 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 102 GLU HA 1 105 ILE H 1.800 . 4.500 3.346 2.917 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 103 GLU HA 1 106 SER H 1.800 . 4.500 3.847 3.286 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 104 HIS QB 1 106 SER H 1.800 . 5.500 4.420 4.105 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 112 VAL HA 1 115 ALA MB 1.800 . 4.500 2.300 1.713 2.574 0.087 7 0 "[ . 1 . 2 . 3]" 1
674 1 112 VAL MG1 1 115 ALA MB 1.800 . 5.500 3.646 3.250 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 110 GLY HA2 1 113 ASP QB 1.800 . 4.500 3.628 2.402 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 113 ASP QB 1 115 ALA MB 1.800 . 5.500 4.138 4.116 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 113 ASP HA 1 116 GLN QB 1.800 . 4.500 4.015 3.893 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 112 VAL HA 1 114 TYR H 1.800 . 5.500 5.532 5.438 5.565 0.065 27 0 "[ . 1 . 2 . 3]" 1
679 1 114 TYR HA 1 117 ALA MB 1.800 . 5.500 2.676 1.852 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 114 TYR QD 1 117 ALA MB 1.800 . 5.500 3.504 2.035 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 113 ASP HA 1 115 ALA H 1.800 . 5.500 4.289 4.106 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 112 VAL HA 1 115 ALA H 1.800 . 4.500 3.871 3.596 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 115 ALA HA 1 118 SER QB 1.800 . 4.500 3.090 2.124 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 113 ASP HA 1 116 GLN H 1.800 . 5.500 4.265 3.991 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 116 GLN H 1 118 SER H 1.800 . 5.500 3.928 3.467 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 116 GLN HA 1 119 ALA MB 1.800 . 4.500 3.517 2.873 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 114 TYR HA 1 117 ALA H 1.800 . 4.500 3.176 2.708 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 117 ALA H 1 119 ALA H 1.800 . 5.500 4.265 3.965 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 117 ALA HA 1 120 GLU QB 1.800 . 5.500 3.464 2.428 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 117 ALA HA 1 120 GLU HG2 1.800 . 4.500 3.164 1.856 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 115 ALA HA 1 118 SER H 1.800 . 4.500 3.658 3.236 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 118 SER H 1 120 GLU H 1.800 . 5.500 4.250 3.607 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 118 SER HA 1 121 LEU QB 1.800 . 5.500 2.968 2.132 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 116 GLN HA 1 119 ALA H 1.800 . 4.500 3.793 3.387 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 119 ALA H 1 121 LEU H 1.800 . 5.500 3.872 3.390 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 117 ALA HA 1 120 GLU H 1.800 . 4.500 3.352 2.820 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 118 SER HA 1 121 LEU H 1.800 . 4.500 3.649 3.199 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 119 ALA HA 1 121 LEU H 1.800 . 5.500 4.049 3.478 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 122 ALA H 1 124 ALA H 1.800 . 5.500 4.492 3.750 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 119 ALA HA 1 122 ALA H 1.800 . 4.500 3.800 2.987 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 122 ALA HA 1 125 ILE HB 1.800 . 4.500 2.665 1.935 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 122 ALA HA 1 125 ILE MD 1.800 . 5.500 3.104 1.824 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 122 ALA HA 1 125 ILE MG 1.800 . 5.500 3.884 2.435 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 120 GLU HA 1 123 LYS H 1.800 . 4.500 3.698 3.243 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 123 LYS H 1 125 ILE H 1.800 . 5.500 3.901 3.409 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 123 LYS HA 1 126 ALA MB 1.800 . 4.500 3.270 2.609 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 124 ALA H 1 126 ALA H 1.800 . 5.500 4.084 3.763 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 121 LEU HA 1 124 ALA H 1.800 . 4.500 3.679 3.155 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 124 ALA HA 1 127 GLN QB 1.800 . 5.500 4.299 3.197 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 122 ALA HA 1 125 ILE H 1.800 . 4.500 3.270 2.709 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 125 ILE H 1 127 GLN H 1.800 . 5.500 4.430 4.033 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 125 ILE HA 1 128 LEU HB3 1.800 . 4.500 3.614 2.220 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 124 ALA HA 1 126 ALA H 1.800 . 5.500 3.528 3.330 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 123 LYS HA 1 126 ALA H 1.800 . 4.500 3.900 3.573 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 126 ALA HA 1 129 ARG QB 1.800 . 4.500 3.204 1.984 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 127 GLN H 1 129 ARG H 1.800 . 5.500 4.069 3.579 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 124 ALA HA 1 127 GLN H 1.800 . 4.500 3.845 3.346 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 127 GLN HA 1 130 VAL MG2 1.800 . 5.500 2.377 1.801 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 125 ILE HA 1 128 LEU H 1.800 . 4.500 3.337 2.956 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 128 LEU HA 1 131 ILE HB 1.800 . 4.500 3.892 2.571 4.515 0.015 14 0 "[ . 1 . 2 . 3]" 1
721 1 128 LEU HA 1 131 ILE MD 1.800 . 5.500 3.174 1.812 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 126 ALA HA 1 129 ARG H 1.800 . 4.500 3.623 2.980 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 129 ARG HA 1 132 GLU QB 1.800 . 4.500 3.130 2.367 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 127 GLN HA 1 130 VAL H 1.800 . 4.500 3.503 3.160 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 130 VAL HA 1 133 LEU MD1 1.800 . 5.500 3.286 1.802 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 130 VAL HA 1 133 LEU MD2 1.800 . 5.500 3.467 1.734 4.589 0.066 1 0 "[ . 1 . 2 . 3]" 1
727 1 128 LEU HA 1 131 ILE H 1.800 . 4.500 3.600 3.152 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 131 ILE H 1 133 LEU H 1.800 . 5.500 4.027 3.364 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 131 ILE HA 1 134 THR HB 1.800 . 4.500 4.276 3.002 4.534 0.034 3 0 "[ . 1 . 2 . 3]" 1
730 1 131 ILE HA 1 134 THR MG 1.800 . 4.500 2.647 1.784 3.695 0.016 13 0 "[ . 1 . 2 . 3]" 1
731 1 129 ARG HA 1 132 GLU H 1.800 . 4.500 3.592 3.263 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 132 GLU HA 1 135 LYS QB 1.800 . 5.500 3.539 2.480 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 130 VAL HA 1 133 LEU H 1.800 . 4.500 3.665 3.308 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 131 ILE HA 1 134 THR H 1.800 . 4.500 3.429 3.097 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 134 THR H 1 136 LYS H 1.800 . 5.500 4.527 3.596 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 134 THR HA 1 137 ALA MB 1.800 . 5.500 2.188 1.791 2.992 0.009 27 0 "[ . 1 . 2 . 3]" 1
737 1 134 THR HB 1 137 ALA MB 1.800 . 5.500 3.948 3.241 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 134 THR MG 1 137 ALA MB 1.800 . 5.500 3.569 2.987 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 132 GLU HA 1 135 LYS H 1.800 . 4.500 3.851 3.279 4.502 0.002 15 0 "[ . 1 . 2 . 3]" 1
740 1 135 LYS H 1 137 ALA H 1.800 . 5.500 3.975 3.493 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 133 LEU HA 1 136 LYS H 1.800 . 4.500 3.714 3.125 4.510 0.010 12 0 "[ . 1 . 2 . 3]" 1
742 1 134 THR HA 1 137 ALA H 1.800 . 4.500 3.328 2.562 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 135 LYS HA 1 137 ALA H 1.800 . 5.500 4.058 3.602 5.030 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 135 LYS HA 1 138 MET H 1.800 . 5.500 4.864 3.767 5.487 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 3 THR HA 1 21 GLU HG3 1.800 . 4.000 3.271 1.907 4.072 0.072 17 0 "[ . 1 . 2 . 3]" 1
746 1 3 THR HA 1 21 GLU HG2 1.800 . 4.000 3.297 2.247 4.013 0.013 10 0 "[ . 1 . 2 . 3]" 1
747 1 3 THR HA 1 21 GLU QB 1.800 . 5.500 3.579 1.756 4.760 0.044 8 0 "[ . 1 . 2 . 3]" 1
748 1 3 THR HA 1 20 VAL MG2 1.800 . 5.500 4.577 4.313 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 4 TYR H 1 20 VAL H 1.800 . 4.000 3.237 2.021 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 4 TYR H 1 21 GLU HA 1.800 . 5.500 3.166 2.289 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 4 TYR H 1 20 VAL MG2 1.800 . 4.500 3.681 3.380 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 4 TYR HA 1 75 ASN HA 1.800 . 5.500 4.792 3.845 5.537 0.037 10 0 "[ . 1 . 2 . 3]" 1
753 1 4 TYR HA 1 74 GLY HA3 1.800 . 5.500 5.278 4.443 5.559 0.059 1 0 "[ . 1 . 2 . 3]" 1
754 1 4 TYR QD 1 20 VAL MG1 1.800 . 5.500 3.204 2.114 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 4 TYR QD 1 20 VAL MG2 1.800 . 4.500 3.259 2.197 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 4 TYR QD 1 75 ASN HA 1.800 . 4.500 3.016 2.505 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 4 TYR QD 1 35 TYR HA 1.800 . 5.500 3.988 3.317 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 4 TYR QD 1 21 GLU HA 1.800 . 5.500 3.391 2.336 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 4 TYR QE 1 6 LEU MD2 1.800 . 5.500 2.973 1.774 3.917 0.026 26 0 "[ . 1 . 2 . 3]" 1
760 1 4 TYR QD 1 36 PRO HA 1.800 . 5.500 3.512 2.149 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 4 TYR QD 1 34 ILE MG 1.800 . 5.500 3.442 3.016 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 4 TYR QE 1 35 TYR HA 1.800 . 3.500 2.480 2.072 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 4 TYR QE 1 21 GLU HA 1.800 . 4.000 3.577 3.313 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 4 TYR QE 1 36 PRO HA 1.800 . 5.500 4.398 2.989 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 4 TYR QE 1 35 TYR HB3 1.800 . 5.500 4.432 3.854 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 4 TYR QE 1 35 TYR HB2 1.800 . 5.500 4.916 4.391 5.003 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 4 TYR QE 1 20 VAL MG1 1.800 . 5.500 3.233 2.062 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 4 TYR QE 1 20 VAL MG2 1.800 . 3.500 2.407 2.029 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 4 TYR QE 1 75 ASN HA 1.800 . 5.500 4.785 4.393 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 4 TYR QE 1 34 ILE MG 1.800 . 5.500 1.811 1.706 2.126 0.094 2 0 "[ . 1 . 2 . 3]" 1
771 1 4 TYR QE 1 34 ILE MD 1.800 . 5.500 4.187 4.106 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 5 HIS H 1 75 ASN HA 1.800 . 4.500 2.373 1.849 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 5 HIS H 1 75 ASN QB 1.800 . 5.500 3.791 2.782 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 5 HIS HA 1 75 ASN HA 1.800 . 5.500 4.313 3.803 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 5 HIS HD2 1 75 ASN HA 1.800 . 5.500 4.158 2.328 5.544 0.044 3 0 "[ . 1 . 2 . 3]" 1
776 1 5 HIS HD2 1 75 ASN QB 1.800 . 4.500 3.024 1.767 4.101 0.033 17 0 "[ . 1 . 2 . 3]" 1
777 1 5 HIS HE1 1 17 SER HA 1.800 . 5.500 3.505 1.861 5.335 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 5 HIS HE1 1 17 SER HB3 1.800 . 5.500 5.109 3.706 5.548 0.048 19 0 "[ . 1 . 2 . 3]" 1
779 1 5 HIS HE1 1 17 SER HB2 1.800 . 5.500 3.926 2.453 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 5 HIS HA 1 19 LEU MD2 1.800 . 4.500 3.334 2.630 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 6 LEU H 1 18 GLY H 1.800 . 4.000 3.075 2.665 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 6 LEU H 1 19 LEU MD2 1.800 . 5.500 4.602 4.187 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 6 LEU H 1 16 PHE QD 1.800 . 5.500 4.171 3.408 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 6 LEU H 1 16 PHE QE 1.800 . 5.500 3.256 2.405 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 6 LEU HA 1 16 PHE QD 1.800 . 5.500 4.885 4.662 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 6 LEU HA 1 16 PHE QE 1.800 . 5.500 5.027 4.957 5.156 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 6 LEU HA 1 76 VAL HB 1.800 . 5.500 3.846 2.081 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 6 LEU HA 1 77 THR HA 1.800 . 5.500 4.567 4.088 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 6 LEU HA 1 20 VAL MG1 1.800 . 5.500 3.368 2.863 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 6 LEU HA 1 20 VAL MG2 1.800 . 5.500 4.576 4.029 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 6 LEU QB 1 16 PHE QD 1.800 . 5.500 3.336 2.292 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 6 LEU QB 1 16 PHE QE 1.800 . 5.500 3.242 2.408 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 6 LEU MD2 1 20 VAL MG2 1.800 . 5.500 1.739 1.644 2.235 0.156 1 0 "[ . 1 . 2 . 3]" 1
794 1 6 LEU MD2 1 52 ILE MD 1.800 . 5.500 2.316 1.546 3.625 0.254 5 0 "[ . 1 . 2 . 3]" 1
795 1 6 LEU MD2 1 52 ILE MG 1.800 . 5.500 3.039 1.697 3.835 0.103 20 0 "[ . 1 . 2 . 3]" 1
796 1 6 LEU MD2 1 16 PHE QD 1.800 . 4.500 2.868 1.752 3.412 0.048 4 0 "[ . 1 . 2 . 3]" 1
797 1 6 LEU MD2 1 16 PHE QE 1.800 . 4.500 2.602 1.793 3.102 0.007 4 0 "[ . 1 . 2 . 3]" 1
798 1 6 LEU MD2 1 16 PHE HZ 1.800 . 5.500 3.798 3.119 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 6 LEU MD2 1 23 ILE MG 1.800 . 5.500 1.739 1.574 2.311 0.226 10 0 "[ . 1 . 2 . 3]" 1
800 1 6 LEU HG 1 16 PHE QD 1.800 . 5.500 1.885 1.760 3.462 0.040 8 0 "[ . 1 . 2 . 3]" 1
801 1 7 ASP H 1 77 THR HA 1.800 . 4.500 2.687 2.236 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 7 ASP H 1 77 THR HB 1.800 . 5.500 5.276 3.420 5.534 0.034 3 0 "[ . 1 . 2 . 3]" 1
803 1 7 ASP H 1 78 VAL H 1.800 . 5.500 4.310 3.377 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 7 ASP H 1 77 THR MG 1.800 . 5.500 3.944 2.789 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 7 ASP HA 1 16 PHE QD 1.800 . 5.500 3.983 3.192 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 7 ASP HA 1 77 THR HA 1.800 . 4.500 4.411 4.057 4.556 0.056 12 0 "[ . 1 . 2 . 3]" 1
807 1 7 ASP HA 1 17 SER HB3 1.800 . 4.000 3.582 2.758 4.018 0.018 17 0 "[ . 1 . 2 . 3]" 1
808 1 7 ASP HA 1 17 SER HB2 1.800 . 4.000 3.947 3.651 4.053 0.053 19 0 "[ . 1 . 2 . 3]" 1
809 1 7 ASP H 1 76 VAL HB 1.800 . 5.500 4.605 3.471 5.566 0.066 23 0 "[ . 1 . 2 . 3]" 1
810 1 8 VAL H 1 16 PHE H 1.800 . 4.000 3.308 2.622 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 8 VAL H 1 16 PHE HB3 1.800 . 5.500 2.863 2.662 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 8 VAL H 1 16 PHE HB2 1.800 . 4.500 4.463 4.225 4.568 0.068 1 0 "[ . 1 . 2 . 3]" 1
813 1 8 VAL H 1 17 SER HA 1.800 . 5.500 3.965 3.524 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 8 VAL H 1 16 PHE QD 1.800 . 5.500 3.953 3.261 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 9 VAL H 1 80 ALA H 1.800 . 5.500 4.309 3.481 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 9 VAL H 1 79 LEU HG 1.800 . 5.500 4.287 2.913 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 10 SER H 1 15 MET QG 1.800 . 5.500 3.999 2.853 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 11 ALA H 1 81 ASP HA 1.800 . 5.500 3.824 2.043 5.498 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 15 MET ME 1 63 TYR QD 1.800 . 5.500 4.011 3.674 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 15 MET ME 1 85 ARG H 1.800 . 5.500 2.801 1.877 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 16 PHE QE 1 52 ILE MD 1.800 . 4.500 2.967 1.987 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 16 PHE QE 1 52 ILE MG 1.800 . 4.500 2.441 1.885 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 16 PHE QD 1 52 ILE MG 1.800 . 4.500 3.072 2.423 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 16 PHE QD 1 52 ILE MD 1.800 . 4.500 2.403 1.734 3.141 0.066 15 0 "[ . 1 . 2 . 3]" 1
825 1 16 PHE HZ 1 52 ILE MG 1.800 . 4.500 3.650 3.117 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 16 PHE HZ 1 52 ILE MD 1.800 . 5.500 4.144 3.185 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 7 ASP HA 1 16 PHE H 1.800 . 5.500 4.800 4.279 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 8 VAL HB 1 16 PHE QB 1.800 . 5.500 4.146 3.513 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 8 VAL QG 1 16 PHE QB 1.800 . 5.500 1.918 1.700 2.208 0.100 14 0 "[ . 1 . 2 . 3]" 1
830 1 7 ASP HB3 1 17 SER HA 1.800 . 5.500 4.762 4.222 5.205 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 7 ASP HB2 1 17 SER HA 1.800 . 5.500 4.071 3.144 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 7 ASP HA 1 18 GLY H 1.800 . 5.500 3.934 3.374 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 3 THR HA 1 20 VAL H 1.800 . 5.500 4.698 3.908 5.541 0.041 25 0 "[ . 1 . 2 . 3]" 1
834 1 3 THR HB 1 20 VAL H 1.800 . 4.500 4.167 2.952 4.626 0.126 27 0 "[ . 1 . 2 . 3]" 1
835 1 3 THR MG 1 20 VAL H 1.800 . 5.500 3.837 2.034 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 4 TYR HA 1 20 VAL H 1.800 . 5.500 4.621 3.676 5.044 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 20 VAL MG2 1 23 ILE MG 1.800 . 5.500 2.115 1.582 3.412 0.218 27 0 "[ . 1 . 2 . 3]" 1
838 1 20 VAL MG1 1 23 ILE MG 1.800 . 5.500 3.627 3.163 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 22 LYS H 1 53 VAL H 1.800 . 4.000 2.802 2.445 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 22 LYS H 1 53 VAL MG1 1.800 . 5.500 3.767 2.999 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 22 LYS H 1 53 VAL MG2 1.800 . 5.500 4.416 3.692 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 23 ILE H 1 34 ILE H 1.800 . 5.500 3.112 2.035 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 23 ILE HA 1 52 ILE HB 1.800 . 3.500 3.693 3.553 3.817 0.317 11 0 "[ . 1 . 2 . 3]" 1
844 1 23 ILE HA 1 52 ILE HG12 1.800 . 5.500 2.523 1.804 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 23 ILE HA 1 52 ILE MG 1.800 . 5.500 2.901 1.754 4.499 0.046 3 0 "[ . 1 . 2 . 3]" 1
846 1 23 ILE HA 1 52 ILE MD 1.800 . 5.500 3.533 3.219 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 6 LEU MD2 1 23 ILE HA 1.800 . 5.500 4.331 3.659 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 23 ILE MG 1 52 ILE HG12 1.800 . 5.500 2.709 1.787 4.547 0.013 24 0 "[ . 1 . 2 . 3]" 1
849 1 23 ILE MG 1 52 ILE MG 1.800 . 5.500 2.905 1.592 3.812 0.208 20 0 "[ . 1 . 2 . 3]" 1
850 1 23 ILE MG 1 52 ILE MD 1.800 . 5.500 2.561 1.763 3.821 0.037 5 0 "[ . 1 . 2 . 3]" 1
851 1 23 ILE MG 1 52 ILE HA 1.800 . 5.500 3.716 1.922 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 24 GLN H 1 51 ARG H 1.800 . 5.500 2.990 2.256 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 24 GLN H 1 52 ILE HA 1.800 . 5.500 3.578 2.667 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 25 VAL H 1 33 GLY HA3 1.800 . 5.500 2.935 2.295 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 25 VAL HA 1 50 ILE HB 1.800 . 4.500 3.234 2.002 4.552 0.052 18 0 "[ . 1 . 2 . 3]" 1
856 1 25 VAL HA 1 50 ILE QG 1.800 . 5.500 2.648 1.817 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 26 THR H 1 49 MET H 1.800 . 5.500 3.311 2.677 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 26 THR H 1 50 ILE HA 1.800 . 5.500 3.417 2.680 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 27 GLY H 1 32 LEU H 1.800 . 5.500 5.497 5.261 5.546 0.046 7 0 "[ . 1 . 2 . 3]" 1
860 1 24 GLN HA 1 34 ILE H 1.800 . 5.500 3.623 2.132 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 34 ILE MG 1 38 HIS HB3 1.800 . 4.000 3.167 2.500 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 34 ILE MG 1 38 HIS HB2 1.800 . 4.000 3.125 2.393 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 34 ILE HG12 1 38 HIS HB2 1.800 . 5.500 5.331 4.656 5.548 0.048 17 0 "[ . 1 . 2 . 3]" 1
864 1 34 ILE HA 1 38 HIS HE1 1.800 . 5.500 5.230 4.592 5.527 0.027 12 0 "[ . 1 . 2 . 3]" 1
865 1 34 ILE MD 1 38 HIS HE1 1.800 . 5.500 3.333 2.588 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 34 ILE MG 1 38 HIS H 1.800 . 5.500 4.179 3.704 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 34 ILE MD 1 38 HIS H 1.800 . 5.500 4.558 4.028 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 41 LEU H 1 71 VAL H 1.800 . 4.000 3.863 3.266 4.283 0.283 12 0 "[ . 1 . 2 . 3]" 1
869 1 41 LEU H 1 71 VAL HB 1.800 . 4.000 3.383 2.305 4.038 0.038 21 0 "[ . 1 . 2 . 3]" 1
870 1 43 THR H 1 70 GLU HA 1.800 . 5.500 4.338 3.458 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 44 ALA MB 1 68 ILE HA 1.800 . 5.500 3.310 2.614 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 45 ILE H 1 67 GLY H 1.800 . 5.500 3.599 2.845 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 45 ILE H 1 68 ILE HA 1.800 . 5.500 3.332 1.970 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 48 GLY H 1 64 LEU H 1.800 . 5.500 3.460 2.865 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 48 GLY H 1 63 TYR QD 1.800 . 5.500 4.521 3.995 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 48 GLY H 1 63 TYR QE 1.800 . 5.500 4.214 3.617 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 26 THR HA 1 49 MET H 1.800 . 5.500 5.220 4.818 5.504 0.004 3 0 "[ . 1 . 2 . 3]" 1
878 1 26 THR MG 1 49 MET H 1.800 . 5.500 4.011 2.388 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 49 MET HA 1 63 TYR QD 1.800 . 4.500 2.710 2.211 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 49 MET HA 1 63 TYR QE 1.800 . 5.500 4.788 4.335 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 49 MET HA 1 63 TYR QB 1.800 . 4.500 2.721 1.846 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 49 MET ME 1 61 PHE QD 1.800 . 5.500 3.913 3.167 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 50 ILE H 1 62 ILE H 1.800 . 4.000 3.310 2.395 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 50 ILE H 1 61 PHE QD 1.800 . 5.500 4.873 4.502 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 51 ARG HA 1 61 PHE QD 1.800 . 5.500 3.960 2.500 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 52 ILE H 1 60 GLU H 1.800 . 4.000 3.118 2.062 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 52 ILE H 1 61 PHE HA 1.800 . 5.500 3.578 2.859 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 20 VAL MG2 1 52 ILE HA 1.800 . 5.500 4.589 4.306 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 20 VAL MG2 1 52 ILE MG 1.800 . 5.500 2.927 2.000 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 52 ILE H 1 61 PHE QD 1.800 . 5.500 4.549 3.725 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 23 ILE HA 1 53 VAL H 1.800 . 5.500 3.417 2.902 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 53 VAL HA 1 59 GLU HG3 1.800 . 5.500 4.651 2.497 5.529 0.029 29 0 "[ . 1 . 2 . 3]" 1
893 1 54 LYS H 1 59 GLU HA 1.800 . 5.500 2.894 2.016 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 20 VAL HA 1 54 LYS HA 1.800 . 5.500 2.843 1.802 5.219 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 20 VAL HA 1 55 GLN H 1.800 . 5.500 2.320 1.929 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 20 VAL MG1 1 55 GLN H 1.800 . 5.500 4.608 4.410 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 53 VAL HA 1 60 GLU H 1.800 . 5.500 3.702 2.971 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 52 ILE MG 1 60 GLU H 1.800 . 5.500 3.201 1.734 4.587 0.066 5 0 "[ . 1 . 2 . 3]" 1
899 1 52 ILE MD 1 60 GLU H 1.800 . 5.500 4.517 2.446 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 51 ARG HA 1 61 PHE QB 1.800 . 5.500 3.437 1.843 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 52 ILE MD 1 62 ILE MD 1.800 . 5.500 2.489 1.694 3.823 0.106 12 0 "[ . 1 . 2 . 3]" 1
902 1 62 ILE MG 1 83 ALA HA 1.800 . 5.500 4.434 3.807 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 63 TYR H 1 84 ILE H 1.800 . 5.500 3.970 2.465 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 63 TYR H 1 85 ARG HA 1.800 . 5.500 3.271 1.882 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 63 TYR QD 1 83 ALA HA 1.800 . 5.500 3.359 2.222 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 63 TYR QE 1 83 ALA HA 1.800 . 5.500 4.346 2.959 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 63 TYR QD 1 84 ILE HA 1.800 . 5.500 3.883 3.647 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 63 TYR QE 1 84 ILE HA 1.800 . 5.500 4.912 4.825 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 63 TYR QD 1 84 ILE MD 1.800 . 4.500 2.997 1.834 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 63 TYR QE 1 84 ILE MD 1.800 . 4.500 2.110 1.722 3.023 0.078 14 0 "[ . 1 . 2 . 3]" 1
911 1 49 MET HA 1 64 LEU H 1.800 . 4.500 3.455 2.540 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 49 MET H 1 64 LEU H 1.800 . 5.500 5.200 4.736 5.515 0.015 23 0 "[ . 1 . 2 . 3]" 1
913 1 68 ILE H 1 80 ALA MB 1.800 . 5.500 4.379 3.611 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 68 ILE H 1 79 LEU H 1.800 . 5.500 3.181 2.452 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 69 LEU H 1 78 VAL HB 1.800 . 4.500 4.490 4.253 4.605 0.105 2 0 "[ . 1 . 2 . 3]" 1
916 1 70 GLU H 1 78 VAL HA 1.800 . 5.500 3.377 2.574 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 70 GLU H 1 77 THR HB 1.800 . 5.500 5.045 4.353 5.586 0.086 21 0 "[ . 1 . 2 . 3]" 1
918 1 42 LEU HG 1 70 GLU HA 1.800 . 5.500 4.310 2.182 5.517 0.017 18 0 "[ . 1 . 2 . 3]" 1
919 1 70 GLU H 1 77 THR H 1.800 . 4.500 3.480 2.968 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 45 ILE MD 1 70 GLU H 1.800 . 5.500 4.556 4.299 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 42 LEU HA 1 71 VAL H 1.800 . 5.500 3.826 3.234 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 34 ILE MD 1 71 VAL MG2 1.800 . 5.500 3.098 2.251 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 34 ILE MG 1 71 VAL MG2 1.800 . 5.500 3.135 1.989 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 4 TYR QB 1 75 ASN HA 1.800 . 5.500 3.282 1.973 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 5 HIS HB3 1 75 ASN HA 1.800 . 3.000 2.525 1.855 3.073 0.073 20 0 "[ . 1 . 2 . 3]" 1
926 1 5 HIS HB2 1 75 ASN HA 1.800 . 5.500 4.055 2.953 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 4 TYR QD 1 75 ASN H 1.800 . 5.500 4.569 3.449 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 6 LEU HA 1 76 VAL H 1.800 . 5.500 2.659 1.965 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 6 LEU HA 1 76 VAL HA 1.800 . 5.500 4.758 3.990 5.540 0.040 3 0 "[ . 1 . 2 . 3]" 1
930 1 4 TYR QD 1 76 VAL H 1.800 . 5.500 3.664 2.482 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 4 TYR QE 1 76 VAL H 1.800 . 5.500 4.283 3.318 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 71 VAL HA 1 77 THR H 1.800 . 5.500 3.487 2.655 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 70 GLU QB 1 77 THR H 1.800 . 5.500 4.161 2.914 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 70 GLU QG 1 77 THR H 1.800 . 5.500 3.832 2.216 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 7 ASP QB 1 77 THR HA 1.800 . 3.500 2.583 1.933 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 7 ASP QB 1 77 THR MG 1.800 . 5.500 2.067 1.630 3.422 0.170 3 0 "[ . 1 . 2 . 3]" 1
937 1 8 VAL HA 1 78 VAL H 1.800 . 5.500 2.611 1.868 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 7 ASP HB3 1 78 VAL H 1.800 . 5.500 3.870 3.419 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 7 ASP HB2 1 78 VAL H 1.800 . 5.500 5.159 4.514 5.514 0.014 21 0 "[ . 1 . 2 . 3]" 1
940 1 10 SER HA 1 80 ALA H 1.800 . 4.000 2.523 1.884 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 67 GLY HA2 1 81 ASP H 1.800 . 5.500 4.437 3.661 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 66 GLY H 1 81 ASP H 1.800 . 5.500 4.576 3.483 5.505 0.005 11 0 "[ . 1 . 2 . 3]" 1
943 1 63 TYR QD 1 82 THR MG 1.800 . 5.500 3.792 2.791 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 63 TYR QE 1 82 THR MG 1.800 . 5.500 2.578 1.821 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 82 THR MG 1 83 ALA HA 1.800 . 5.500 3.286 2.986 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 10 SER QB 1 83 ALA H 1.800 . 5.500 4.238 3.328 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 63 TYR QD 1 84 ILE H 1.800 . 5.500 1.892 1.814 2.016 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 63 TYR QE 1 84 ILE H 1.800 . 5.500 3.467 2.805 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 63 TYR QB 1 84 ILE H 1.800 . 5.500 3.409 2.412 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 84 ILE HA 1 88 ASP H 1.800 . 5.500 5.266 4.375 5.531 0.031 16 0 "[ . 1 . 2 . 3]" 1
951 1 84 ILE HA 1 88 ASP HB3 1.800 . 5.500 4.405 2.731 5.518 0.018 9 0 "[ . 1 . 2 . 3]" 1
952 1 84 ILE MG 1 88 ASP H 1.800 . 5.500 3.566 2.443 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 84 ILE MG 1 88 ASP HB3 1.800 . 5.500 3.084 1.755 4.355 0.045 3 0 "[ . 1 . 2 . 3]" 1
954 1 84 ILE MG 1 88 ASP HB2 1.800 . 5.500 2.920 1.714 4.490 0.086 25 0 "[ . 1 . 2 . 3]" 1
955 1 62 ILE HA 1 86 GLY H 1.800 . 5.500 3.012 1.862 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 61 PHE QD 1 86 GLY H 1.800 . 5.500 3.877 2.776 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 61 PHE QB 1 86 GLY H 1.800 . 5.500 4.024 1.946 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 3 THR HA 1 21 GLU HA 1.800 . 3.000 2.350 1.851 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 5 HIS HA 1 19 LEU HA 1.800 . 3.000 2.364 1.746 2.902 0.054 15 0 "[ . 1 . 2 . 3]" 1
960 1 7 ASP HA 1 17 SER HA 1.800 . 3.000 2.324 1.904 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 23 ILE HA 1 52 ILE HA 1.800 . 3.000 1.842 1.686 2.563 0.114 20 0 "[ . 1 . 2 . 3]" 1
962 1 24 GLN HA 1 33 GLY HA3 1.800 . 3.000 2.053 1.756 2.850 0.044 16 0 "[ . 1 . 2 . 3]" 1
963 1 24 GLN HA 1 33 GLY HA2 1.800 . 3.000 2.893 2.261 3.198 0.198 16 0 "[ . 1 . 2 . 3]" 1
964 1 25 VAL HA 1 50 ILE HA 1.800 . 3.000 2.278 1.869 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 26 THR HA 1 31 GLU HA 1.800 . 3.000 2.905 2.562 3.392 0.392 25 0 "[ . 1 . 2 . 3]" 1
966 1 42 LEU HA 1 70 GLU HA 1.800 . 3.000 2.546 1.982 3.040 0.040 3 0 "[ . 1 . 2 . 3]" 1
967 1 49 MET HA 1 63 TYR HA 1.800 . 3.000 2.226 1.839 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 51 ARG HA 1 61 PHE HA 1.800 . 3.000 2.570 1.931 3.037 0.037 18 0 "[ . 1 . 2 . 3]" 1
969 1 53 VAL HA 1 59 GLU HA 1.800 . 3.000 2.275 1.859 3.018 0.018 25 0 "[ . 1 . 2 . 3]" 1
970 1 62 ILE HA 1 85 ARG HA 1.800 . 3.000 2.646 1.879 3.009 0.009 8 0 "[ . 1 . 2 . 3]" 1
971 1 64 LEU HA 1 83 ALA HA 1.800 . 3.000 2.749 2.318 3.013 0.013 4 0 "[ . 1 . 2 . 3]" 1
972 1 71 VAL HA 1 76 VAL HA 1.800 . 3.000 2.664 1.858 3.057 0.057 17 0 "[ . 1 . 2 . 3]" 1
973 1 69 LEU HA 1 78 VAL HA 1.800 . 3.000 2.435 1.847 3.647 0.647 21 1 "[ . 1 . 2+ . 3]" 1
974 1 67 GLY HA2 1 80 ALA HA 1.800 . 3.000 2.742 1.981 3.022 0.022 6 0 "[ . 1 . 2 . 3]" 1
975 1 44 ALA HA 1 68 ILE HA 1.800 . 3.000 2.098 1.852 3.048 0.048 3 0 "[ . 1 . 2 . 3]" 1
976 1 91 GLU HA 1 131 ILE MD 1.800 . 5.500 2.205 1.743 4.379 0.057 1 0 "[ . 1 . 2 . 3]" 1
977 1 91 GLU HA 1 131 ILE MG 1.800 . 5.500 3.801 2.459 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 92 ALA H 1 131 ILE MD 1.800 . 5.500 4.355 3.526 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 94 ALA H 1 131 ILE MD 1.800 . 5.500 4.296 3.392 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 94 ALA MB 1 131 ILE MD 1.800 . 5.500 2.989 1.821 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 95 MET HG3 1 128 LEU MD1 1.800 . 5.500 2.770 1.892 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 95 MET HG2 1 128 LEU MD1 1.800 . 5.500 2.729 1.806 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 95 MET HG3 1 128 LEU MD2 1.800 . 5.500 3.275 1.943 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 95 MET HG2 1 128 LEU MD2 1.800 . 5.500 3.007 1.740 4.540 0.060 17 0 "[ . 1 . 2 . 3]" 1
985 1 95 MET H 1 128 LEU MD1 1.800 . 5.500 3.775 2.965 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 95 MET HA 1 128 LEU MD1 1.800 . 5.500 2.575 1.710 3.715 0.090 24 0 "[ . 1 . 2 . 3]" 1
987 1 98 LYS H 1 125 ILE MD 1.800 . 5.500 4.413 3.926 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 102 GLU H 1 121 LEU MD1 1.800 . 5.500 4.187 3.023 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 108 SER QB 1 114 TYR QD 1.800 . 5.500 3.388 2.056 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 105 ILE MG 1 114 TYR QE 1.800 . 5.500 3.087 1.922 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 105 ILE MG 1 114 TYR QD 1.800 . 5.500 3.082 2.076 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 112 VAL MG2 1 116 GLN QG 1.800 . 5.500 3.550 2.534 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 105 ILE MD 1 121 LEU H 1.800 . 5.500 3.876 2.638 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 121 LEU HA 1 125 ILE MD 1.800 . 5.500 4.158 3.143 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 105 ILE MD 1 122 ALA H 1.800 . 5.500 4.441 3.640 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 63 TYR QD 1 126 ALA H 1.800 . 5.500 4.863 4.493 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 63 TYR QE 1 126 ALA H 1.800 . 5.500 3.515 3.017 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 63 TYR QD 1 126 ALA MB 1.800 . 5.500 2.279 1.842 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 63 TYR QE 1 126 ALA MB 1.800 . 4.500 2.067 1.771 2.711 0.029 30 0 "[ . 1 . 2 . 3]" 1
1000 1 48 GLY HA2 1 126 ALA MB 1.800 . 5.500 2.174 1.775 2.890 0.025 17 0 "[ . 1 . 2 . 3]" 1
1001 1 63 TYR QD 1 127 GLN H 1.800 . 5.500 3.854 3.082 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 63 TYR QE 1 127 GLN H 1.800 . 5.500 3.276 2.095 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 63 TYR QD 1 130 VAL MG1 1.800 . 5.500 3.975 3.385 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 63 TYR QB 1 130 VAL MG1 1.800 . 5.500 3.087 1.922 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 61 PHE QB 1 130 VAL MG1 1.800 . 5.500 2.791 2.022 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 61 PHE HA 1 130 VAL MG1 1.800 . 5.500 4.437 3.699 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 86 GLY H 1 130 VAL MG2 1.800 . 5.500 3.581 2.600 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 61 PHE QD 1 130 VAL MG2 1.800 . 5.500 3.124 1.744 3.598 0.056 13 0 "[ . 1 . 2 . 3]" 1
1009 1 61 PHE QB 1 130 VAL MG2 1.800 . 5.500 3.941 2.707 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 63 TYR QB 1 130 VAL MG2 1.800 . 5.500 3.048 2.160 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 61 PHE QE 1 131 ILE H 1.800 . 5.500 4.879 4.658 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 61 PHE QE 1 133 LEU H 1.800 . 5.500 4.371 3.073 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 61 PHE HZ 1 133 LEU MD1 1.800 . 5.500 3.428 1.711 4.601 0.089 15 0 "[ . 1 . 2 . 3]" 1
1014 1 61 PHE QE 1 133 LEU MD1 1.800 . 5.500 3.231 1.823 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 61 PHE HZ 1 133 LEU MD2 1.800 . 5.500 2.939 1.702 4.589 0.098 6 0 "[ . 1 . 2 . 3]" 1
1016 1 61 PHE QE 1 133 LEU MD2 1.800 . 5.500 2.537 1.853 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 61 PHE HZ 1 133 LEU HG 1.800 . 5.500 4.105 2.539 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 61 PHE QE 1 133 LEU HG 1.800 . 5.500 4.114 2.356 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 61 PHE HZ 1 134 THR H 1.800 . 5.500 3.756 2.358 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 61 PHE HZ 1 134 THR HA 1.800 . 5.500 3.803 2.593 5.525 0.025 2 0 "[ . 1 . 2 . 3]" 1
1021 1 61 PHE HZ 1 134 THR MG 1.800 . 5.500 3.276 1.821 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 87 GLN H 1 134 THR MG 1.800 . 5.500 3.956 2.437 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 87 GLN HG3 1 134 THR MG 1.800 . 4.500 3.465 2.619 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 87 GLN HG2 1 134 THR MG 1.800 . 5.500 3.237 1.899 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 61 PHE HZ 1 137 ALA MB 1.800 . 5.500 4.064 3.182 4.604 . 0 0 "[ . 1 . 2 . 3]" 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 60
_Distance_constraint_stats_list.Viol_count 258
_Distance_constraint_stats_list.Viol_total 222.882
_Distance_constraint_stats_list.Viol_max 0.210
_Distance_constraint_stats_list.Viol_rms 0.0157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0288
_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 4 TYR 0.871 0.210 15 0 "[ . 1 . 2 . 3]"
1 5 HIS 0.015 0.015 21 0 "[ . 1 . 2 . 3]"
1 6 LEU 0.117 0.023 28 0 "[ . 1 . 2 . 3]"
1 7 ASP 0.073 0.037 2 0 "[ . 1 . 2 . 3]"
1 8 VAL 0.007 0.007 20 0 "[ . 1 . 2 . 3]"
1 9 VAL 0.068 0.018 11 0 "[ . 1 . 2 . 3]"
1 16 PHE 0.007 0.007 20 0 "[ . 1 . 2 . 3]"
1 18 GLY 0.117 0.023 28 0 "[ . 1 . 2 . 3]"
1 20 VAL 0.871 0.210 15 0 "[ . 1 . 2 . 3]"
1 21 GLU 0.476 0.098 19 0 "[ . 1 . 2 . 3]"
1 22 LYS 1.921 0.082 29 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.910 0.179 3 0 "[ . 1 . 2 . 3]"
1 24 GLN 0.189 0.030 30 0 "[ . 1 . 2 . 3]"
1 26 THR 0.993 0.097 27 0 "[ . 1 . 2 . 3]"
1 34 ILE 0.910 0.179 3 0 "[ . 1 . 2 . 3]"
1 41 LEU 0.244 0.052 12 0 "[ . 1 . 2 . 3]"
1 43 THR 0.149 0.081 3 0 "[ . 1 . 2 . 3]"
1 45 ILE 0.032 0.027 19 0 "[ . 1 . 2 . 3]"
1 48 GLY 0.290 0.027 24 0 "[ . 1 . 2 . 3]"
1 49 MET 0.993 0.097 27 0 "[ . 1 . 2 . 3]"
1 50 ILE 0.126 0.023 15 0 "[ . 1 . 2 . 3]"
1 51 ARG 0.189 0.030 30 0 "[ . 1 . 2 . 3]"
1 52 ILE 0.482 0.061 20 0 "[ . 1 . 2 . 3]"
1 53 VAL 2.396 0.098 19 0 "[ . 1 . 2 . 3]"
1 60 GLU 0.482 0.061 20 0 "[ . 1 . 2 . 3]"
1 62 ILE 0.126 0.023 15 0 "[ . 1 . 2 . 3]"
1 64 LEU 0.290 0.027 24 0 "[ . 1 . 2 . 3]"
1 67 GLY 0.032 0.027 19 0 "[ . 1 . 2 . 3]"
1 68 ILE 0.124 0.042 21 0 "[ . 1 . 2 . 3]"
1 69 LEU 0.149 0.081 3 0 "[ . 1 . 2 . 3]"
1 70 GLU 0.322 0.146 21 0 "[ . 1 . 2 . 3]"
1 71 VAL 0.244 0.052 12 0 "[ . 1 . 2 . 3]"
1 72 GLN 0.022 0.022 15 0 "[ . 1 . 2 . 3]"
1 75 ASN 0.022 0.022 15 0 "[ . 1 . 2 . 3]"
1 76 VAL 0.051 0.017 18 0 "[ . 1 . 2 . 3]"
1 77 THR 0.322 0.146 21 0 "[ . 1 . 2 . 3]"
1 78 VAL 0.057 0.037 2 0 "[ . 1 . 2 . 3]"
1 79 LEU 0.124 0.042 21 0 "[ . 1 . 2 . 3]"
1 80 ALA 0.049 0.018 11 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 LEU H 1 18 GLY O 1.500 . 2.500 2.191 2.025 2.459 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 6 LEU N 1 18 GLY O 2.400 2.400 3.400 3.093 2.747 3.397 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 7 ASP H 1 76 VAL O 1.500 . 2.500 2.288 2.069 2.517 0.017 18 0 "[ . 1 . 2 . 3]" 2
4 1 7 ASP N 1 76 VAL O 2.400 2.400 3.400 2.854 2.552 3.068 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 8 VAL H 1 16 PHE O 1.500 . 2.500 2.235 2.068 2.507 0.007 20 0 "[ . 1 . 2 . 3]" 2
6 1 8 VAL N 1 16 PHE O 2.400 2.400 3.400 3.047 2.814 3.267 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 9 VAL H 1 78 VAL O 1.500 . 2.500 2.307 2.095 2.507 0.007 27 0 "[ . 1 . 2 . 3]" 2
8 1 9 VAL N 1 78 VAL O 2.400 2.400 3.400 3.170 2.843 3.411 0.011 11 0 "[ . 1 . 2 . 3]" 2
9 1 6 LEU O 1 18 GLY H 1.500 . 2.500 2.370 2.097 2.519 0.019 22 0 "[ . 1 . 2 . 3]" 2
10 1 6 LEU O 1 18 GLY N 2.400 2.400 3.400 3.253 2.943 3.423 0.023 28 0 "[ . 1 . 2 . 3]" 2
11 1 4 TYR O 1 20 VAL H 1.500 . 2.500 2.233 2.025 2.710 0.210 15 0 "[ . 1 . 2 . 3]" 2
12 1 4 TYR O 1 20 VAL N 2.400 2.400 3.400 2.890 2.423 3.495 0.095 15 0 "[ . 1 . 2 . 3]" 2
13 1 21 GLU H 1 53 VAL O 1.500 . 2.500 2.348 2.051 2.598 0.098 19 0 "[ . 1 . 2 . 3]" 2
14 1 21 GLU N 1 53 VAL O 2.400 2.400 3.400 3.091 2.690 3.390 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 22 LYS H 1 53 VAL O 1.500 . 2.500 2.519 2.432 2.582 0.082 9 0 "[ . 1 . 2 . 3]" 2
16 1 22 LYS N 1 53 VAL O 2.400 2.400 3.400 3.427 3.255 3.482 0.082 29 0 "[ . 1 . 2 . 3]" 2
17 1 23 ILE H 1 34 ILE O 1.500 . 2.500 2.481 2.307 2.679 0.179 3 0 "[ . 1 . 2 . 3]" 2
18 1 23 ILE N 1 34 ILE O 2.400 2.400 3.400 3.373 3.182 3.464 0.064 24 0 "[ . 1 . 2 . 3]" 2
19 1 24 GLN H 1 51 ARG O 1.500 . 2.500 2.261 2.061 2.530 0.030 30 0 "[ . 1 . 2 . 3]" 2
20 1 24 GLN N 1 51 ARG O 2.400 2.400 3.400 2.743 2.409 3.180 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 45 ILE H 1 67 GLY O 1.500 . 2.500 2.328 2.112 2.527 0.027 19 0 "[ . 1 . 2 . 3]" 2
22 1 45 ILE N 1 67 GLY O 2.400 2.400 3.400 3.197 2.798 3.398 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 48 GLY H 1 64 LEU O 1.500 . 2.500 2.377 2.122 2.522 0.022 9 0 "[ . 1 . 2 . 3]" 2
24 1 48 GLY N 1 64 LEU O 2.400 2.400 3.400 3.212 2.828 3.414 0.014 16 0 "[ . 1 . 2 . 3]" 2
25 1 26 THR O 1 49 MET H 1.500 . 2.500 2.526 2.373 2.597 0.097 27 0 "[ . 1 . 2 . 3]" 2
26 1 26 THR O 1 49 MET N 2.400 2.400 3.400 3.320 3.163 3.409 0.009 6 0 "[ . 1 . 2 . 3]" 2
27 1 50 ILE H 1 62 ILE O 1.500 . 2.500 2.398 2.078 2.523 0.023 15 0 "[ . 1 . 2 . 3]" 2
28 1 50 ILE N 1 62 ILE O 2.400 2.400 3.400 3.062 2.517 3.337 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 24 GLN O 1 51 ARG H 1.500 . 2.500 2.163 2.031 2.527 0.027 23 0 "[ . 1 . 2 . 3]" 2
30 1 24 GLN O 1 51 ARG N 2.400 2.400 3.400 2.963 2.718 3.320 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 52 ILE H 1 60 GLU O 1.500 . 2.500 2.339 2.020 2.543 0.043 26 0 "[ . 1 . 2 . 3]" 2
32 1 52 ILE N 1 60 GLU O 2.400 2.400 3.400 3.046 2.665 3.325 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 22 LYS O 1 53 VAL H 1.500 . 2.500 2.187 2.058 2.472 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 22 LYS O 1 53 VAL N 2.400 2.400 3.400 2.838 2.473 2.998 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 52 ILE O 1 60 GLU H 1.500 . 2.500 2.392 2.103 2.561 0.061 20 0 "[ . 1 . 2 . 3]" 2
36 1 52 ILE O 1 60 GLU N 2.400 2.400 3.400 3.171 2.904 3.417 0.017 20 0 "[ . 1 . 2 . 3]" 2
37 1 50 ILE O 1 62 ILE H 1.500 . 2.500 2.238 2.090 2.481 . 0 0 "[ . 1 . 2 . 3]" 2
38 1 50 ILE O 1 62 ILE N 2.400 2.400 3.400 3.029 2.715 3.412 0.012 29 0 "[ . 1 . 2 . 3]" 2
39 1 48 GLY O 1 64 LEU H 1.500 . 2.500 2.410 2.096 2.527 0.027 24 0 "[ . 1 . 2 . 3]" 2
40 1 48 GLY O 1 64 LEU N 2.400 2.400 3.400 3.259 2.829 3.423 0.023 27 0 "[ . 1 . 2 . 3]" 2
41 1 68 ILE H 1 79 LEU O 1.500 . 2.500 2.277 2.088 2.516 0.016 21 0 "[ . 1 . 2 . 3]" 2
42 1 68 ILE N 1 79 LEU O 2.400 2.400 3.400 3.072 2.739 3.394 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 43 THR O 1 69 LEU H 1.500 . 2.500 2.318 2.089 2.581 0.081 3 0 "[ . 1 . 2 . 3]" 2
44 1 43 THR O 1 69 LEU N 2.400 2.400 3.400 3.143 2.679 3.414 0.014 28 0 "[ . 1 . 2 . 3]" 2
45 1 70 GLU H 1 77 THR O 1.500 . 2.500 2.283 2.076 2.646 0.146 21 0 "[ . 1 . 2 . 3]" 2
46 1 70 GLU N 1 77 THR O 2.400 2.400 3.400 3.082 2.809 3.513 0.113 21 0 "[ . 1 . 2 . 3]" 2
47 1 41 LEU O 1 71 VAL H 1.500 . 2.500 2.436 2.114 2.552 0.052 12 0 "[ . 1 . 2 . 3]" 2
48 1 41 LEU O 1 71 VAL N 2.400 2.400 3.400 3.315 3.087 3.431 0.031 23 0 "[ . 1 . 2 . 3]" 2
49 1 72 GLN H 1 75 ASN O 1.500 . 2.500 2.171 2.059 2.522 0.022 15 0 "[ . 1 . 2 . 3]" 2
50 1 72 GLN N 1 75 ASN O 2.400 2.400 3.400 2.877 2.669 3.272 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 5 HIS O 1 76 VAL H 1.500 . 2.500 2.147 1.998 2.515 0.015 21 0 "[ . 1 . 2 . 3]" 2
52 1 5 HIS O 1 76 VAL N 2.400 2.400 3.400 2.826 2.431 3.140 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 70 GLU O 1 77 THR H 1.500 . 2.500 2.233 2.068 2.518 0.018 21 0 "[ . 1 . 2 . 3]" 2
54 1 70 GLU O 1 77 THR N 2.400 2.400 3.400 3.170 2.877 3.433 0.033 21 0 "[ . 1 . 2 . 3]" 2
55 1 7 ASP O 1 78 VAL H 1.500 . 2.500 2.226 2.063 2.537 0.037 2 0 "[ . 1 . 2 . 3]" 2
56 1 7 ASP O 1 78 VAL N 2.400 2.400 3.400 3.070 2.779 3.308 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 68 ILE O 1 79 LEU H 1.500 . 2.500 2.291 2.095 2.518 0.018 21 0 "[ . 1 . 2 . 3]" 2
58 1 68 ILE O 1 79 LEU N 2.400 2.400 3.400 3.104 2.825 3.442 0.042 21 0 "[ . 1 . 2 . 3]" 2
59 1 9 VAL O 1 80 ALA H 1.500 . 2.500 2.325 2.099 2.518 0.018 11 0 "[ . 1 . 2 . 3]" 2
60 1 9 VAL O 1 80 ALA N 2.400 2.400 3.400 3.095 2.813 3.401 0.001 11 0 "[ . 1 . 2 . 3]" 2
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