NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532676 |
2lbv   |
17577 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbv
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 522
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 GLU H 1 8 GLU QB 3.500 . 4.500 2.294 2.216 2.466 . 0 0 "[ . 1 . 2]" 1
2 1 8 GLU QB 1 9 ILE H 4.500 . 5.500 2.395 2.309 2.522 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLU QB 1 10 ALA H 5.500 . 6.500 4.406 4.355 4.441 . 0 0 "[ . 1 . 2]" 1
4 1 9 ILE H 1 9 ILE MG 4.500 . 5.500 2.064 1.739 2.238 . 0 0 "[ . 1 . 2]" 1
5 1 9 ILE H 1 9 ILE MD 5.500 . 6.500 4.399 4.332 4.444 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE HA 1 10 ALA MB 5.500 . 6.500 5.034 4.998 5.065 . 0 0 "[ . 1 . 2]" 1
7 1 9 ILE MG 1 10 ALA H 5.500 . 6.500 2.200 1.932 2.340 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE MG 1 92 TYR HA 5.500 . 6.500 3.745 2.791 4.811 . 0 0 "[ . 1 . 2]" 1
9 1 9 ILE MG 1 92 TYR QB 5.500 . 6.500 3.637 2.966 4.121 . 0 0 "[ . 1 . 2]" 1
10 1 9 ILE MD 1 92 TYR HA 5.500 . 6.500 3.106 2.246 4.302 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE MD 1 92 TYR QB 5.500 . 6.500 4.083 3.824 4.747 . 0 0 "[ . 1 . 2]" 1
12 1 10 ALA MB 1 11 GLY H 3.500 . 4.500 2.874 2.798 2.950 . 0 0 "[ . 1 . 2]" 1
13 1 10 ALA MB 1 41 PHE H 5.500 . 6.500 4.481 4.307 4.684 . 0 0 "[ . 1 . 2]" 1
14 1 10 ALA MB 1 39 ILE MD 5.500 . 6.500 4.334 4.294 4.370 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA MB 1 39 ILE MG 5.500 . 6.500 2.174 2.110 2.273 . 0 0 "[ . 1 . 2]" 1
16 1 11 GLY H 1 39 ILE MG 4.500 . 5.500 2.645 2.389 3.014 . 0 0 "[ . 1 . 2]" 1
17 1 12 LYS QG 1 13 TRP H 4.500 . 5.500 3.254 2.967 4.210 . 0 0 "[ . 1 . 2]" 1
18 1 13 TRP HE1 1 39 ILE MD 5.500 . 6.500 3.620 3.466 3.833 . 0 0 "[ . 1 . 2]" 1
19 1 13 TRP HE1 1 39 ILE MG 5.500 . 6.500 1.539 1.485 1.598 . 0 0 "[ . 1 . 2]" 1
20 1 9 ILE MG 1 13 TRP HE1 5.500 . 6.500 2.767 2.321 4.016 . 0 0 "[ . 1 . 2]" 1
21 1 13 TRP HD1 1 39 ILE MG 5.500 . 6.500 2.882 2.746 3.170 . 0 0 "[ . 1 . 2]" 1
22 1 9 ILE MG 1 13 TRP HH2 5.500 . 6.500 3.486 3.021 4.391 . 0 0 "[ . 1 . 2]" 1
23 1 9 ILE MG 1 13 TRP HZ2 5.500 . 6.500 2.387 2.164 3.454 . 0 0 "[ . 1 . 2]" 1
24 1 14 TYR H 1 16 VAL MG1 5.500 . 6.500 5.173 4.910 5.352 . 0 0 "[ . 1 . 2]" 1
25 1 14 TYR QE 1 119 PRO HG3 5.500 . 6.500 3.272 2.335 4.879 . 0 0 "[ . 1 . 2]" 1
26 1 14 TYR QE 1 36 MET ME 5.500 . 6.500 3.487 2.315 4.504 . 0 0 "[ . 1 . 2]" 1
27 1 14 TYR QE 1 36 MET QG 5.500 . 6.500 3.671 3.083 4.159 . 0 0 "[ . 1 . 2]" 1
28 1 14 TYR QE 1 116 SER HB3 5.500 . 6.500 5.746 5.467 6.110 . 0 0 "[ . 1 . 2]" 1
29 1 14 TYR QE 1 37 ALA H 5.500 . 6.500 5.173 4.225 5.983 . 0 0 "[ . 1 . 2]" 1
30 1 14 TYR QD 1 37 ALA H 5.500 . 6.500 4.110 3.360 5.255 . 0 0 "[ . 1 . 2]" 1
31 1 14 TYR QD 1 15 VAL H 5.500 . 6.500 3.574 2.283 4.189 . 0 0 "[ . 1 . 2]" 1
32 1 14 TYR QE 1 15 VAL H 5.500 . 6.500 5.121 4.294 5.752 . 0 0 "[ . 1 . 2]" 1
33 1 15 VAL MG2 1 35 ALA H 4.500 . 5.500 4.645 4.609 4.674 . 0 0 "[ . 1 . 2]" 1
34 1 15 VAL MG2 1 35 ALA MB 4.500 . 5.500 3.293 3.084 3.473 . 0 0 "[ . 1 . 2]" 1
35 1 16 VAL H 1 16 VAL MG1 4.500 . 5.500 2.690 2.263 3.052 . 0 0 "[ . 1 . 2]" 1
36 1 16 VAL H 1 16 VAL MG2 4.500 . 5.500 2.183 2.037 2.376 . 0 0 "[ . 1 . 2]" 1
37 1 16 VAL MG2 1 116 SER HB2 5.000 . 6.000 2.580 2.248 3.452 . 0 0 "[ . 1 . 2]" 1
38 1 16 VAL MG2 1 116 SER HB3 5.000 . 6.000 3.370 2.880 4.076 . 0 0 "[ . 1 . 2]" 1
39 1 16 VAL MG2 1 116 SER H 5.500 . 6.500 3.709 3.103 4.568 . 0 0 "[ . 1 . 2]" 1
40 1 16 VAL MG2 1 116 SER HA 5.500 . 6.500 4.352 3.995 5.174 . 0 0 "[ . 1 . 2]" 1
41 1 16 VAL MG2 1 121 VAL HB 5.500 . 6.500 4.576 4.160 5.060 . 0 0 "[ . 1 . 2]" 1
42 1 16 VAL MG1 1 116 SER HB2 5.000 . 6.000 2.941 2.296 3.276 . 0 0 "[ . 1 . 2]" 1
43 1 16 VAL MG1 1 116 SER HB3 5.000 . 6.000 2.547 2.182 2.842 . 0 0 "[ . 1 . 2]" 1
44 1 16 VAL MG1 1 115 TYR HA 5.500 . 6.500 3.451 3.083 3.840 . 0 0 "[ . 1 . 2]" 1
45 1 16 VAL MG1 1 116 SER H 5.500 . 6.500 3.077 2.702 3.548 . 0 0 "[ . 1 . 2]" 1
46 1 16 VAL MG1 1 116 SER HA 5.500 . 6.500 4.581 4.168 4.839 . 0 0 "[ . 1 . 2]" 1
47 1 17 ALA H 1 114 LEU QB 4.500 . 5.500 3.471 2.815 4.062 . 0 0 "[ . 1 . 2]" 1
48 1 17 ALA MB 1 18 LEU H 4.500 . 5.500 2.919 2.341 3.156 . 0 0 "[ . 1 . 2]" 1
49 1 18 LEU H 1 146 LEU MD2 5.500 . 6.500 5.258 5.213 5.377 . 0 0 "[ . 1 . 2]" 1
50 1 18 LEU MD2 1 19 ALA H 4.000 . 5.000 3.272 2.579 3.598 . 0 0 "[ . 1 . 2]" 1
51 1 18 LEU MD2 1 26 LEU HA 5.500 . 6.500 3.660 3.303 4.103 . 0 0 "[ . 1 . 2]" 1
52 1 18 LEU MD2 1 26 LEU HB2 5.500 . 6.500 5.215 4.900 5.451 . 0 0 "[ . 1 . 2]" 1
53 1 19 ALA H 1 112 MET QG 5.500 . 6.500 4.419 3.598 5.496 . 0 0 "[ . 1 . 2]" 1
54 1 19 ALA MB 1 20 SER H 4.000 . 5.000 2.721 2.369 2.989 . 0 0 "[ . 1 . 2]" 1
55 1 19 ALA MB 1 112 MET H 5.500 . 6.500 2.447 1.960 2.923 . 0 0 "[ . 1 . 2]" 1
56 1 20 SER QB 1 21 ASN H 5.500 . 6.500 2.528 2.027 3.038 . 0 0 "[ . 1 . 2]" 1
57 1 21 ASN HD21 1 142 MET ME 5.500 . 6.500 3.953 1.879 5.207 . 0 0 "[ . 1 . 2]" 1
58 1 21 ASN HD22 1 142 MET ME 5.500 . 6.500 4.032 2.590 5.308 . 0 0 "[ . 1 . 2]" 1
59 1 22 THR H 1 25 PHE QD 5.500 . 6.500 5.225 4.090 6.116 . 0 0 "[ . 1 . 2]" 1
60 1 22 THR H 1 22 THR MG 4.000 . 5.000 2.382 1.885 3.639 . 0 0 "[ . 1 . 2]" 1
61 1 22 THR H 1 25 PHE QB 4.500 . 5.500 4.204 3.723 4.563 . 0 0 "[ . 1 . 2]" 1
62 1 22 THR MG 1 109 LEU MD1 4.000 . 5.000 2.515 2.202 3.302 . 0 0 "[ . 1 . 2]" 1
63 1 22 THR MG 1 109 LEU MD2 5.500 . 6.500 2.503 2.096 3.562 . 0 0 "[ . 1 . 2]" 1
64 1 22 THR MG 1 23 GLU H 4.500 . 5.500 3.917 3.252 4.130 . 0 0 "[ . 1 . 2]" 1
65 1 22 THR MG 1 25 PHE H 5.500 . 6.500 2.066 1.680 3.246 . 0 0 "[ . 1 . 2]" 1
66 1 22 THR MG 1 25 PHE QB 5.500 . 6.500 2.330 1.984 3.854 . 0 0 "[ . 1 . 2]" 1
67 1 22 THR MG 1 24 PHE QE 5.500 . 6.500 4.573 4.367 4.832 . 0 0 "[ . 1 . 2]" 1
68 1 22 THR MG 1 24 PHE HA 5.500 . 6.500 4.694 3.892 5.189 . 0 0 "[ . 1 . 2]" 1
69 1 22 THR MG 1 25 PHE QD 5.500 . 6.500 2.750 2.121 4.001 . 0 0 "[ . 1 . 2]" 1
70 1 21 ASN HA 1 22 THR MG 6.000 . 7.000 5.117 4.711 5.895 . 0 0 "[ . 1 . 2]" 1
71 1 20 SER QB 1 22 THR MG 5.500 . 6.500 3.010 2.265 4.826 . 0 0 "[ . 1 . 2]" 1
72 1 25 PHE H 1 25 PHE QB 3.500 . 4.500 2.253 2.032 2.617 . 0 0 "[ . 1 . 2]" 1
73 1 24 PHE QE 1 25 PHE H 5.500 . 6.500 5.396 4.291 5.838 . 0 0 "[ . 1 . 2]" 1
74 1 24 PHE QD 1 25 PHE H 5.500 . 6.500 3.559 2.225 4.024 . 0 0 "[ . 1 . 2]" 1
75 1 25 PHE QD 1 26 LEU H 5.000 . 6.000 4.278 4.003 4.587 . 0 0 "[ . 1 . 2]" 1
76 1 25 PHE QB 1 26 LEU H 4.500 . 5.500 2.550 2.466 2.661 . 0 0 "[ . 1 . 2]" 1
77 1 26 LEU H 1 26 LEU MD1 4.500 . 5.500 3.728 3.410 4.137 . 0 0 "[ . 1 . 2]" 1
78 1 26 LEU H 1 26 LEU MD2 4.500 . 5.500 2.995 1.882 4.216 . 0 0 "[ . 1 . 2]" 1
79 1 21 ASN HA 1 26 LEU MD1 5.500 . 6.500 4.886 3.952 5.372 . 0 0 "[ . 1 . 2]" 1
80 1 26 LEU MD1 1 27 ARG H 5.000 . 6.000 3.424 2.389 4.447 . 0 0 "[ . 1 . 2]" 1
81 1 26 LEU MD1 1 142 MET HA 5.500 . 6.500 2.847 2.242 3.528 . 0 0 "[ . 1 . 2]" 1
82 1 26 LEU MD2 1 27 ARG H 4.500 . 5.500 3.950 3.605 4.475 . 0 0 "[ . 1 . 2]" 1
83 1 26 LEU MD2 1 142 MET ME 5.500 . 6.500 2.791 2.475 3.267 . 0 0 "[ . 1 . 2]" 1
84 1 26 LEU MD2 1 142 MET QG 5.500 . 6.500 3.521 3.105 3.823 . 0 0 "[ . 1 . 2]" 1
85 1 21 ASN HB2 1 26 LEU MD2 5.500 . 6.500 5.218 4.977 5.396 . 0 0 "[ . 1 . 2]" 1
86 1 21 ASN HB3 1 26 LEU MD2 5.500 . 6.500 5.116 4.729 5.399 . 0 0 "[ . 1 . 2]" 1
87 1 26 LEU MD2 1 142 MET HA 5.500 . 6.500 2.373 2.033 2.693 . 0 0 "[ . 1 . 2]" 1
88 1 21 ASN HA 1 26 LEU MD2 5.500 . 6.500 3.205 2.816 3.552 . 0 0 "[ . 1 . 2]" 1
89 1 26 LEU MD2 1 142 MET H 5.500 . 6.500 4.771 4.056 5.208 . 0 0 "[ . 1 . 2]" 1
90 1 27 ARG H 1 27 ARG QB 3.000 . 4.000 2.300 2.266 2.338 . 0 0 "[ . 1 . 2]" 1
91 1 27 ARG H 1 27 ARG QG 4.000 . 5.000 4.005 3.965 4.144 . 0 0 "[ . 1 . 2]" 1
92 1 27 ARG QD 1 28 GLU H 5.000 . 6.000 4.603 2.767 5.096 . 0 0 "[ . 1 . 2]" 1
93 1 27 ARG QB 1 28 GLU H 3.500 . 4.500 2.450 2.360 2.647 . 0 0 "[ . 1 . 2]" 1
94 1 28 GLU H 1 28 GLU QG 4.000 . 5.000 2.927 2.214 4.075 . 0 0 "[ . 1 . 2]" 1
95 1 28 GLU QB 1 29 LYS H 4.000 . 5.000 2.651 2.611 2.741 . 0 0 "[ . 1 . 2]" 1
96 1 29 LYS H 1 32 MET ME 5.500 . 6.500 3.415 3.035 3.842 . 0 0 "[ . 1 . 2]" 1
97 1 30 ASP H 1 32 MET ME 5.500 . 6.500 4.349 4.149 4.847 . 0 0 "[ . 1 . 2]" 1
98 1 30 ASP H 1 31 LYS QE 5.500 . 6.500 5.519 5.327 5.637 . 0 0 "[ . 1 . 2]" 1
99 1 31 LYS H 1 31 LYS QG 4.000 . 5.000 2.595 2.162 4.064 . 0 0 "[ . 1 . 2]" 1
100 1 31 LYS H 1 31 LYS QD 4.500 . 5.500 4.173 4.039 4.433 . 0 0 "[ . 1 . 2]" 1
101 1 31 LYS H 1 32 MET QG 5.000 . 6.000 3.872 3.411 5.206 . 0 0 "[ . 1 . 2]" 1
102 1 31 LYS QG 1 32 MET H 5.000 . 6.000 2.998 2.501 4.111 . 0 0 "[ . 1 . 2]" 1
103 1 31 LYS QG 1 32 MET ME 5.000 . 6.000 3.075 2.517 4.408 . 0 0 "[ . 1 . 2]" 1
104 1 31 LYS QE 1 32 MET H 4.500 . 5.500 2.273 2.048 2.597 . 0 0 "[ . 1 . 2]" 1
105 1 32 MET H 1 146 LEU MD2 5.000 . 6.000 3.805 3.407 4.032 . 0 0 "[ . 1 . 2]" 1
106 1 32 MET H 1 32 MET QG 4.000 . 5.000 2.015 1.568 3.451 . 0 0 "[ . 1 . 2]" 1
107 1 29 LYS HB3 1 32 MET ME 5.500 . 6.500 4.580 4.280 4.893 . 0 0 "[ . 1 . 2]" 1
108 1 31 LYS HA 1 32 MET ME 5.500 . 6.500 5.258 5.236 5.281 . 0 0 "[ . 1 . 2]" 1
109 1 28 GLU H 1 32 MET ME 5.500 . 6.500 4.638 4.407 4.880 . 0 0 "[ . 1 . 2]" 1
110 1 31 LYS H 1 32 MET ME 5.500 . 6.500 3.479 3.337 3.762 . 0 0 "[ . 1 . 2]" 1
111 1 33 LYS H 1 146 LEU MD2 5.000 . 6.000 3.067 2.854 3.234 . 0 0 "[ . 1 . 2]" 1
112 1 33 LYS H 1 146 LEU MD1 5.500 . 6.500 4.453 4.214 5.150 . 0 0 "[ . 1 . 2]" 1
113 1 34 MET H 1 146 LEU MD1 4.500 . 5.500 4.542 3.939 4.761 . 0 0 "[ . 1 . 2]" 1
114 1 16 VAL MG1 1 34 MET H 5.500 . 6.500 5.301 5.239 5.371 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL MG1 1 34 MET ME 5.000 . 6.000 1.953 1.810 2.136 . 0 0 "[ . 1 . 2]" 1
116 1 16 VAL MG2 1 34 MET ME 5.500 . 6.500 3.528 3.239 4.263 . 0 0 "[ . 1 . 2]" 1
117 1 34 MET ME 1 146 LEU HG 5.500 . 6.500 5.114 4.225 5.306 . 0 0 "[ . 1 . 2]" 1
118 1 14 TYR QE 1 34 MET ME 5.500 . 6.500 3.828 2.266 4.777 . 0 0 "[ . 1 . 2]" 1
119 1 14 TYR QD 1 34 MET ME 5.500 . 6.500 3.576 2.395 4.569 . 0 0 "[ . 1 . 2]" 1
120 1 34 MET ME 1 35 ALA H 5.500 . 6.500 4.553 4.096 5.228 . 0 0 "[ . 1 . 2]" 1
121 1 35 ALA MB 1 53 VAL MG1 5.500 . 6.500 2.431 2.133 2.725 . 0 0 "[ . 1 . 2]" 1
122 1 35 ALA MB 1 36 MET H 3.500 . 4.500 2.417 2.308 2.527 . 0 0 "[ . 1 . 2]" 1
123 1 36 MET H 1 52 ALA MB 5.500 . 6.500 2.585 2.388 2.806 . 0 0 "[ . 1 . 2]" 1
124 1 14 TYR QE 1 36 MET H 5.500 . 6.500 5.422 4.919 5.855 . 0 0 "[ . 1 . 2]" 1
125 1 36 MET H 1 154 VAL MG1 5.500 . 6.500 4.478 4.042 5.043 . 0 0 "[ . 1 . 2]" 1
126 1 36 MET H 1 53 VAL MG2 5.500 . 6.500 4.278 3.951 4.589 . 0 0 "[ . 1 . 2]" 1
127 1 36 MET ME 1 153 THR HA 4.500 . 5.500 2.750 2.299 3.588 . 0 0 "[ . 1 . 2]" 1
128 1 36 MET ME 1 153 THR HB 4.500 . 5.500 3.763 2.284 4.238 . 0 0 "[ . 1 . 2]" 1
129 1 36 MET ME 1 154 VAL MG1 5.500 . 6.500 4.219 4.106 4.299 . 0 0 "[ . 1 . 2]" 1
130 1 36 MET ME 1 150 GLU HA 4.500 . 5.500 3.724 3.158 4.404 . 0 0 "[ . 1 . 2]" 1
131 1 36 MET QG 1 37 ALA H 4.500 . 5.500 4.321 4.257 4.460 . 0 0 "[ . 1 . 2]" 1
132 1 36 MET QG 1 154 VAL MG1 5.500 . 6.500 2.762 2.509 2.963 . 0 0 "[ . 1 . 2]" 1
133 1 14 TYR QE 1 36 MET QB 4.500 . 5.500 2.660 2.197 3.652 . 0 0 "[ . 1 . 2]" 1
134 1 14 TYR HB3 1 36 MET QB 5.500 . 6.500 5.515 5.280 5.592 . 0 0 "[ . 1 . 2]" 1
135 1 36 MET QB 1 52 ALA HA 5.500 . 6.500 5.633 5.585 5.698 . 0 0 "[ . 1 . 2]" 1
136 1 36 MET QB 1 52 ALA MB 5.500 . 6.500 2.745 2.675 2.837 . 0 0 "[ . 1 . 2]" 1
137 1 36 MET QB 1 154 VAL MG1 5.500 . 6.500 2.667 2.092 3.111 . 0 0 "[ . 1 . 2]" 1
138 1 37 ALA H 1 154 VAL MG1 5.500 . 6.500 4.278 3.538 4.824 . 0 0 "[ . 1 . 2]" 1
139 1 37 ALA HA 1 154 VAL MG1 5.500 . 6.500 3.690 3.199 4.131 . 0 0 "[ . 1 . 2]" 1
140 1 37 ALA MB 1 38 ARG H 4.500 . 5.500 2.477 2.439 2.521 . 0 0 "[ . 1 . 2]" 1
141 1 38 ARG H 1 49 VAL MG2 4.600 . 5.600 4.110 3.439 4.463 . 0 0 "[ . 1 . 2]" 1
142 1 38 ARG H 1 38 ARG QD 5.500 . 6.500 4.678 4.095 5.196 . 0 0 "[ . 1 . 2]" 1
143 1 38 ARG QD 1 39 ILE H 5.500 . 6.500 4.363 1.999 5.694 . 0 0 "[ . 1 . 2]" 1
144 1 39 ILE H 1 39 ILE MG 4.500 . 5.500 1.850 1.740 1.991 . 0 0 "[ . 1 . 2]" 1
145 1 39 ILE MD 1 40 SER HA 5.500 . 6.500 5.413 5.310 5.464 . 0 0 "[ . 1 . 2]" 1
146 1 39 ILE MD 1 40 SER H 5.500 . 6.500 4.226 4.174 4.312 . 0 0 "[ . 1 . 2]" 1
147 1 13 TRP HB3 1 39 ILE MD 5.500 . 6.500 5.389 5.355 5.416 . 0 0 "[ . 1 . 2]" 1
148 1 10 ALA H 1 39 ILE MG 5.500 . 6.500 3.949 3.837 4.073 . 0 0 "[ . 1 . 2]" 1
149 1 38 ARG HA 1 39 ILE MG 5.500 . 6.500 3.630 3.520 3.819 . 0 0 "[ . 1 . 2]" 1
150 1 39 ILE MG 1 40 SER H 4.500 . 5.500 3.604 3.545 3.697 . 0 0 "[ . 1 . 2]" 1
151 1 39 ILE MG 1 40 SER HB2 5.500 . 6.500 5.281 5.189 5.307 . 0 0 "[ . 1 . 2]" 1
152 1 40 SER HB2 1 42 LEU MD2 5.500 . 6.500 4.856 4.412 5.234 . 0 0 "[ . 1 . 2]" 1
153 1 10 ALA MB 1 40 SER HB2 5.500 . 6.500 4.978 4.506 5.270 . 0 0 "[ . 1 . 2]" 1
154 1 39 ILE MG 1 40 SER HB3 5.500 . 6.500 5.125 4.733 5.260 . 0 0 "[ . 1 . 2]" 1
155 1 40 SER HB3 1 42 LEU MD2 5.500 . 6.500 5.117 4.739 5.296 . 0 0 "[ . 1 . 2]" 1
156 1 10 ALA MB 1 40 SER HB3 5.500 . 6.500 4.907 4.504 5.285 . 0 0 "[ . 1 . 2]" 1
157 1 40 SER QB 1 41 PHE H 4.500 . 5.500 2.893 2.480 3.397 . 0 0 "[ . 1 . 2]" 1
158 1 41 PHE H 1 41 PHE QD 5.000 . 6.000 2.446 1.973 3.058 . 0 0 "[ . 1 . 2]" 1
159 1 42 LEU MD1 1 48 LYS H 5.000 . 6.000 3.080 2.938 3.215 . 0 0 "[ . 1 . 2]" 1
160 1 42 LEU MD1 1 67 LYS HA 5.500 . 6.500 5.324 5.312 5.341 . 0 0 "[ . 1 . 2]" 1
161 1 42 LEU MD2 1 48 LYS H 5.500 . 6.500 4.285 3.916 4.609 . 0 0 "[ . 1 . 2]" 1
162 1 42 LEU MD2 1 48 LYS QE 5.500 . 6.500 3.063 2.030 4.181 . 0 0 "[ . 1 . 2]" 1
163 1 42 LEU H 1 42 LEU MD1 4.500 . 5.500 3.465 3.212 3.855 . 0 0 "[ . 1 . 2]" 1
164 1 43 GLY H 1 46 GLU QB 4.000 . 5.000 2.915 2.454 3.611 . 0 0 "[ . 1 . 2]" 1
165 1 43 GLY QA 1 44 GLU H 3.500 . 4.500 2.278 2.240 2.328 . 0 0 "[ . 1 . 2]" 1
166 1 44 GLU H 1 44 GLU QB 3.500 . 4.500 2.447 2.238 2.555 . 0 0 "[ . 1 . 2]" 1
167 1 44 GLU QG 1 45 ASP H 4.500 . 5.500 4.190 3.892 4.635 . 0 0 "[ . 1 . 2]" 1
168 1 44 GLU QB 1 45 ASP H 3.500 . 4.500 2.846 2.717 2.972 . 0 0 "[ . 1 . 2]" 1
169 1 43 GLY QA 1 45 ASP H 3.500 . 4.500 3.062 2.900 3.181 . 0 0 "[ . 1 . 2]" 1
170 1 43 GLY QA 1 46 GLU H 4.000 . 5.000 3.181 2.910 3.317 . 0 0 "[ . 1 . 2]" 1
171 1 46 GLU H 1 46 GLU QG 4.500 . 5.500 3.333 2.695 4.196 . 0 0 "[ . 1 . 2]" 1
172 1 46 GLU H 1 46 GLU QB 3.000 . 4.000 2.827 2.698 2.976 . 0 0 "[ . 1 . 2]" 1
173 1 46 GLU QB 1 47 LEU H 4.500 . 5.500 3.430 2.941 3.789 . 0 0 "[ . 1 . 2]" 1
174 1 45 ASP H 1 46 GLU QB 5.500 . 6.500 4.073 3.919 4.699 . 0 0 "[ . 1 . 2]" 1
175 1 46 GLU QB 1 68 LYS H 5.500 . 6.500 4.659 3.377 5.334 . 0 0 "[ . 1 . 2]" 1
176 1 46 GLU QB 1 65 THR MG 5.500 . 6.500 3.890 3.195 4.835 . 0 0 "[ . 1 . 2]" 1
177 1 46 GLU QG 1 47 LEU H 5.500 . 6.500 3.784 2.667 4.346 . 0 0 "[ . 1 . 2]" 1
178 1 42 LEU MD1 1 46 GLU QG 5.500 . 6.500 3.765 2.240 4.730 . 0 0 "[ . 1 . 2]" 1
179 1 46 GLU QG 1 65 THR MG 5.500 . 6.500 4.047 2.831 4.820 . 0 0 "[ . 1 . 2]" 1
180 1 42 LEU HB2 1 46 GLU QG 5.500 . 6.500 3.695 2.326 4.562 . 0 0 "[ . 1 . 2]" 1
181 1 47 LEU H 1 47 LEU MD1 4.770 . 5.770 3.940 3.834 4.094 . 0 0 "[ . 1 . 2]" 1
182 1 47 LEU MD1 1 49 VAL MG2 5.500 . 6.500 4.207 4.043 4.290 . 0 0 "[ . 1 . 2]" 1
183 1 44 GLU HA 1 47 LEU MD1 5.500 . 6.500 5.293 5.206 5.324 . 0 0 "[ . 1 . 2]" 1
184 1 47 LEU MD1 1 66 PHE H 5.500 . 6.500 5.359 5.302 5.463 . 0 0 "[ . 1 . 2]" 1
185 1 47 LEU MD1 1 66 PHE HB2 5.500 . 6.500 4.132 3.615 5.204 . 0 0 "[ . 1 . 2]" 1
186 1 47 LEU MD1 1 66 PHE HB3 4.500 . 5.500 3.872 3.608 4.202 . 0 0 "[ . 1 . 2]" 1
187 1 41 PHE QD 1 47 LEU MD1 5.500 . 6.500 3.872 3.238 4.175 . 0 0 "[ . 1 . 2]" 1
188 1 41 PHE QE 1 47 LEU MD1 5.500 . 6.500 3.436 2.784 3.989 . 0 0 "[ . 1 . 2]" 1
189 1 48 LYS H 1 48 LYS QE 5.500 . 6.500 4.771 4.369 5.852 . 0 0 "[ . 1 . 2]" 1
190 1 42 LEU MD1 1 48 LYS HG2 5.500 . 6.500 4.187 4.034 4.432 . 0 0 "[ . 1 . 2]" 1
191 1 42 LEU MD1 1 48 LYS HG3 5.500 . 6.500 3.020 2.830 3.288 . 0 0 "[ . 1 . 2]" 1
192 1 42 LEU MD1 1 48 LYS QE 5.500 . 6.500 3.403 2.299 4.386 . 0 0 "[ . 1 . 2]" 1
193 1 49 VAL H 1 49 VAL MG1 4.500 . 5.500 3.328 2.820 3.638 . 0 0 "[ . 1 . 2]" 1
194 1 49 VAL H 1 65 THR MG 5.500 . 6.500 4.627 4.407 4.935 . 0 0 "[ . 1 . 2]" 1
195 1 49 VAL MG1 1 50 SER H 5.000 . 6.000 2.758 2.419 3.345 . 0 0 "[ . 1 . 2]" 1
196 1 39 ILE HA 1 49 VAL MG1 5.500 . 6.500 4.340 4.160 4.431 . 0 0 "[ . 1 . 2]" 1
197 1 49 VAL MG1 1 51 TYR QE 5.500 . 6.500 2.263 1.959 2.807 . 0 0 "[ . 1 . 2]" 1
198 1 49 VAL MG2 1 64 THR HB 5.500 . 6.500 5.332 5.077 5.472 . 0 0 "[ . 1 . 2]" 1
199 1 39 ILE HA 1 49 VAL MG2 5.500 . 6.500 2.279 1.953 2.496 . 0 0 "[ . 1 . 2]" 1
200 1 49 VAL MG2 1 51 TYR QE 5.500 . 6.500 4.253 3.906 4.901 . 0 0 "[ . 1 . 2]" 1
201 1 37 ALA MB 1 49 VAL MG2 5.500 . 6.500 3.554 2.869 3.980 . 0 0 "[ . 1 . 2]" 1
202 1 49 VAL MG2 1 50 SER H 4.000 . 5.000 2.843 2.280 3.172 . 0 0 "[ . 1 . 2]" 1
203 1 49 VAL MG2 1 50 SER HB2 5.500 . 6.500 4.968 4.246 5.357 . 0 0 "[ . 1 . 2]" 1
204 1 50 SER HB2 1 154 VAL MG1 5.500 . 6.500 5.270 5.168 5.326 . 0 0 "[ . 1 . 2]" 1
205 1 50 SER HB2 1 63 GLU QG 5.500 . 6.500 3.256 2.340 4.350 . 0 0 "[ . 1 . 2]" 1
206 1 49 VAL MG2 1 50 SER HB3 5.500 . 6.500 5.301 5.288 5.316 . 0 0 "[ . 1 . 2]" 1
207 1 50 SER HB3 1 154 VAL MG1 5.500 . 6.500 4.460 4.077 5.014 . 0 0 "[ . 1 . 2]" 1
208 1 50 SER HB3 1 63 GLU QG 5.500 . 6.500 4.218 3.978 4.714 . 0 0 "[ . 1 . 2]" 1
209 1 52 ALA MB 1 53 VAL H 4.500 . 5.500 3.424 3.399 3.452 . 0 0 "[ . 1 . 2]" 1
210 1 53 VAL H 1 53 VAL MG2 4.500 . 5.500 2.337 2.204 2.609 . 0 0 "[ . 1 . 2]" 1
211 1 35 ALA HA 1 53 VAL MG2 5.500 . 6.500 4.383 4.021 4.722 . 0 0 "[ . 1 . 2]" 1
212 1 53 VAL MG2 1 54 PRO HD2 4.500 . 5.500 4.079 3.767 4.370 . 0 0 "[ . 1 . 2]" 1
213 1 53 VAL MG2 1 54 PRO HD3 4.500 . 5.500 4.375 4.264 4.460 . 0 0 "[ . 1 . 2]" 1
214 1 53 VAL MG2 1 60 ARG QB 5.500 . 6.500 3.896 3.550 4.431 . 0 0 "[ . 1 . 2]" 1
215 1 53 VAL MG1 1 54 PRO HD2 4.500 . 5.500 2.317 2.054 2.631 . 0 0 "[ . 1 . 2]" 1
216 1 53 VAL MG1 1 54 PRO HD3 4.500 . 5.500 3.460 3.296 3.641 . 0 0 "[ . 1 . 2]" 1
217 1 54 PRO QB 1 55 LYS H 3.500 . 4.500 3.196 2.484 4.035 . 0 0 "[ . 1 . 2]" 1
218 1 32 MET QB 1 54 PRO HD2 5.500 . 6.500 3.760 3.026 4.163 . 0 0 "[ . 1 . 2]" 1
219 1 32 MET QB 1 54 PRO HD3 5.500 . 6.500 5.316 4.531 5.682 . 0 0 "[ . 1 . 2]" 1
220 1 31 LYS QE 1 56 PRO QG 5.500 . 6.500 4.840 4.645 5.002 . 0 0 "[ . 1 . 2]" 1
221 1 56 PRO QD 1 151 GLU H 5.500 . 6.500 5.503 5.369 5.605 . 0 0 "[ . 1 . 2]" 1
222 1 57 ASN QB 1 58 GLY H 4.000 . 5.000 3.324 2.879 3.738 . 0 0 "[ . 1 . 2]" 1
223 1 55 LYS QB 1 58 GLY H 4.500 . 5.500 2.906 2.050 3.486 . 0 0 "[ . 1 . 2]" 1
224 1 55 LYS QG 1 58 GLY H 4.500 . 5.500 3.449 2.466 4.616 . 0 0 "[ . 1 . 2]" 1
225 1 52 ALA MB 1 62 TRP H 5.500 . 6.500 4.595 4.349 4.959 . 0 0 "[ . 1 . 2]" 1
226 1 62 TRP QB 1 63 GLU H 3.500 . 4.500 2.520 2.270 2.792 . 0 0 "[ . 1 . 2]" 1
227 1 53 VAL MG2 1 62 TRP HE1 6.000 . 7.000 5.653 5.205 5.826 . 0 0 "[ . 1 . 2]" 1
228 1 51 TYR QB 1 62 TRP HE1 5.500 . 6.500 2.884 1.778 3.489 . 0 0 "[ . 1 . 2]" 1
229 1 62 TRP HE1 1 64 THR MG 6.500 . 7.500 4.373 3.860 5.445 . 0 0 "[ . 1 . 2]" 1
230 1 63 GLU H 1 63 GLU QG 4.000 . 5.000 4.098 4.032 4.242 . 0 0 "[ . 1 . 2]" 1
231 1 63 GLU QG 1 64 THR H 4.500 . 5.500 1.960 1.821 2.231 . 0 0 "[ . 1 . 2]" 1
232 1 63 GLU QB 1 64 THR H 4.000 . 5.000 3.338 3.231 3.556 . 0 0 "[ . 1 . 2]" 1
233 1 51 TYR QE 1 64 THR H 5.500 . 6.500 4.521 2.317 5.631 . 0 0 "[ . 1 . 2]" 1
234 1 51 TYR QE 1 64 THR HB 5.500 . 6.500 2.833 2.230 3.678 . 0 0 "[ . 1 . 2]" 1
235 1 51 TYR QE 1 64 THR MG 5.500 . 6.500 3.217 2.846 3.705 . 0 0 "[ . 1 . 2]" 1
236 1 64 THR MG 1 65 THR H 4.500 . 5.500 2.322 2.245 2.359 . 0 0 "[ . 1 . 2]" 1
237 1 65 THR MG 1 66 PHE H 4.000 . 5.000 2.469 2.201 2.719 . 0 0 "[ . 1 . 2]" 1
238 1 49 VAL MG1 1 66 PHE HB3 5.500 . 6.500 5.322 5.147 5.402 . 0 0 "[ . 1 . 2]" 1
239 1 67 LYS H 1 67 LYS QG 4.500 . 5.500 2.823 2.523 2.981 . 0 0 "[ . 1 . 2]" 1
240 1 67 LYS QD 1 68 LYS H 4.000 . 5.000 4.413 3.720 4.501 . 0 0 "[ . 1 . 2]" 1
241 1 67 LYS QG 1 68 LYS H 4.000 . 5.000 3.986 3.767 4.521 . 0 0 "[ . 1 . 2]" 1
242 1 66 PHE HA 1 67 LYS QG 4.500 . 5.500 3.756 3.432 3.923 . 0 0 "[ . 1 . 2]" 1
243 1 69 THR H 1 69 THR MG 4.000 . 5.000 2.141 1.989 2.377 . 0 0 "[ . 1 . 2]" 1
244 1 69 THR MG 1 77 TYR H 5.500 . 6.500 2.899 1.871 3.663 . 0 0 "[ . 1 . 2]" 1
245 1 69 THR MG 1 70 SER H 5.500 . 5.500 3.634 3.157 4.281 . 0 0 "[ . 1 . 2]" 1
246 1 69 THR MG 1 71 ASP H 5.500 . 6.500 3.325 2.195 5.273 . 0 0 "[ . 1 . 2]" 1
247 1 69 THR MG 1 77 TYR QB 4.500 . 5.500 2.749 1.928 3.668 . 0 0 "[ . 1 . 2]" 1
248 1 69 THR MG 1 76 TYR HA 4.500 . 5.500 2.831 1.974 4.378 . 0 0 "[ . 1 . 2]" 1
249 1 69 THR MG 1 77 TYR HA 4.500 . 5.500 4.440 4.276 4.494 . 0 0 "[ . 1 . 2]" 1
250 1 72 ASP H 1 75 VAL MG2 5.500 . 6.500 2.691 2.564 2.898 . 0 0 "[ . 1 . 2]" 1
251 1 73 GLY H 1 75 VAL MG2 4.700 . 5.700 4.382 4.159 4.599 . 0 0 "[ . 1 . 2]" 1
252 1 74 GLU H 1 74 GLU QG 3.500 . 4.500 3.282 2.849 3.936 . 0 0 "[ . 1 . 2]" 1
253 1 74 GLU H 1 75 VAL MG2 4.500 . 5.500 3.040 2.943 3.103 . 0 0 "[ . 1 . 2]" 1
254 1 74 GLU QB 1 75 VAL MG2 4.500 . 5.500 3.958 3.890 3.992 . 0 0 "[ . 1 . 2]" 1
255 1 74 GLU QG 1 87 VAL MG1 5.500 . 6.500 4.393 3.796 4.874 . 0 0 "[ . 1 . 2]" 1
256 1 75 VAL H 1 75 VAL MG2 4.000 . 5.000 2.871 2.729 2.920 . 0 0 "[ . 1 . 2]" 1
257 1 75 VAL MG1 1 76 TYR H 4.500 . 5.500 1.994 1.897 2.066 . 0 0 "[ . 1 . 2]" 1
258 1 71 ASP HB2 1 75 VAL MG2 4.500 . 5.500 4.226 3.794 4.518 . 0 0 "[ . 1 . 2]" 1
259 1 71 ASP HB3 1 75 VAL MG2 4.500 . 5.500 3.591 2.970 4.465 . 0 0 "[ . 1 . 2]" 1
260 1 76 TYR H 1 85 VAL MG2 5.500 . 6.500 3.621 3.367 4.002 . 0 0 "[ . 1 . 2]" 1
261 1 76 TYR HB3 1 85 VAL MG2 5.500 . 6.500 3.530 2.484 4.262 . 0 0 "[ . 1 . 2]" 1
262 1 76 TYR HB2 1 85 VAL MG2 5.500 . 6.500 3.084 2.497 3.906 . 0 0 "[ . 1 . 2]" 1
263 1 64 THR MG 1 78 SER QB 5.500 . 6.500 2.959 2.244 4.084 . 0 0 "[ . 1 . 2]" 1
264 1 78 SER QB 1 79 GLU H 5.000 . 6.000 3.772 3.611 3.965 . 0 0 "[ . 1 . 2]" 1
265 1 78 SER QB 1 80 GLU H 5.500 . 6.500 3.637 3.114 4.345 . 0 0 "[ . 1 . 2]" 1
266 1 78 SER QB 1 83 LYS H 4.500 . 5.500 3.329 2.900 4.128 . 0 0 "[ . 1 . 2]" 1
267 1 80 GLU H 1 80 GLU QG 4.000 . 5.000 2.356 1.892 3.227 . 0 0 "[ . 1 . 2]" 1
268 1 80 GLU H 1 80 GLU QB 3.000 . 4.000 2.437 2.351 2.679 . 0 0 "[ . 1 . 2]" 1
269 1 80 GLU H 1 81 ALA MB 5.000 . 6.000 4.395 4.287 4.537 . 0 0 "[ . 1 . 2]" 1
270 1 80 GLU QB 1 81 ALA H 3.500 . 4.500 2.953 2.519 3.532 . 0 0 "[ . 1 . 2]" 1
271 1 64 THR MG 1 81 ALA MB 5.500 . 6.500 2.430 1.871 3.147 . 0 0 "[ . 1 . 2]" 1
272 1 78 SER QB 1 81 ALA MB 5.500 . 6.500 2.322 1.986 2.923 . 0 0 "[ . 1 . 2]" 1
273 1 81 ALA MB 1 82 LYS H . . 4.500 3.384 3.063 3.449 . 0 0 "[ . 1 . 2]" 1
274 1 81 ALA MB 1 83 LYS H 5.500 . 6.500 3.409 3.186 3.687 . 0 0 "[ . 1 . 2]" 1
275 1 81 ALA MB 1 83 LYS HA 5.500 . 6.500 4.905 4.808 4.998 . 0 0 "[ . 1 . 2]" 1
276 1 64 THR HB 1 81 ALA MB 5.500 . 6.500 4.765 4.017 5.487 . 0 0 "[ . 1 . 2]" 1
277 1 84 LYS QG 1 85 VAL H 4.000 . 5.000 3.635 2.523 4.498 . 0 0 "[ . 1 . 2]" 1
278 1 85 VAL MG1 1 86 GLU H 4.500 . 5.500 4.201 4.109 4.286 . 0 0 "[ . 1 . 2]" 1
279 1 85 VAL H 1 85 VAL MG2 4.500 . 5.500 2.650 2.476 2.766 . 0 0 "[ . 1 . 2]" 1
280 1 75 VAL MG1 1 85 VAL H 5.500 . 6.500 3.233 3.147 3.445 . 0 0 "[ . 1 . 2]" 1
281 1 75 VAL MG1 1 85 VAL HB 5.500 . 6.500 5.349 5.291 5.425 . 0 0 "[ . 1 . 2]" 1
282 1 84 LYS HA 1 85 VAL MG2 5.500 . 6.500 4.309 4.123 4.444 . 0 0 "[ . 1 . 2]" 1
283 1 85 VAL MG2 1 86 GLU H 5.500 . 6.500 3.749 3.692 3.830 . 0 0 "[ . 1 . 2]" 1
284 1 76 TYR HA 1 85 VAL MG2 5.500 . 6.500 5.141 5.009 5.211 . 0 0 "[ . 1 . 2]" 1
285 1 86 GLU H 1 98 ILE MG 5.500 . 6.500 3.485 2.456 5.393 . 0 0 "[ . 1 . 2]" 1
286 1 75 VAL MG2 1 87 VAL H 5.500 . 6.500 4.128 3.635 4.906 . 0 0 "[ . 1 . 2]" 1
287 1 87 VAL H 1 87 VAL MG1 4.000 . 5.000 1.832 1.757 1.958 . 0 0 "[ . 1 . 2]" 1
288 1 87 VAL MG2 1 98 ILE HA 5.500 . 6.500 4.547 3.944 4.916 . 0 0 "[ . 1 . 2]" 1
289 1 87 VAL MG2 1 89 ASP H 4.000 . 5.000 2.869 2.536 3.580 . 0 0 "[ . 1 . 2]" 1
290 1 87 VAL MG2 1 89 ASP HA 5.500 . 6.500 3.507 3.214 3.941 . 0 0 "[ . 1 . 2]" 1
291 1 87 VAL MG2 1 90 THR H 5.000 . 6.000 3.392 3.055 3.723 . 0 0 "[ . 1 . 2]" 1
292 1 87 VAL MG2 1 90 THR HB 5.000 . 6.000 2.137 1.913 2.295 . 0 0 "[ . 1 . 2]" 1
293 1 88 LEU QB 1 89 ASP H 4.000 . 5.000 2.798 2.231 3.064 . 0 0 "[ . 1 . 2]" 1
294 1 88 LEU MD1 1 89 ASP H 4.000 . 5.000 4.000 3.396 4.151 . 0 0 "[ . 1 . 2]" 1
295 1 88 LEU MD1 1 99 TYR HB2 5.500 . 6.500 3.863 2.522 4.683 . 0 0 "[ . 1 . 2]" 1
296 1 88 LEU MD1 1 99 TYR HB3 5.500 . 6.500 4.789 2.846 5.477 . 0 0 "[ . 1 . 2]" 1
297 1 88 LEU MD2 1 99 TYR HB2 5.500 . 6.500 2.367 2.115 2.731 . 0 0 "[ . 1 . 2]" 1
298 1 88 LEU MD2 1 99 TYR HB3 5.500 . 6.500 2.938 2.455 3.262 . 0 0 "[ . 1 . 2]" 1
299 1 88 LEU QB 1 89 ASP HB3 5.500 . 6.500 4.186 3.833 4.361 . 0 0 "[ . 1 . 2]" 1
300 1 89 ASP H 1 90 THR MG 5.500 . 6.500 4.963 4.652 5.444 . 0 0 "[ . 1 . 2]" 1
301 1 90 THR H 1 96 ALA MB 5.000 . 6.000 4.453 4.385 4.716 . 0 0 "[ . 1 . 2]" 1
302 1 90 THR H 1 90 THR MG 4.000 . 5.000 2.742 2.534 2.980 . 0 0 "[ . 1 . 2]" 1
303 1 90 THR MG 1 92 TYR QE 5.500 . 6.500 2.811 2.541 3.102 . 0 0 "[ . 1 . 2]" 1
304 1 90 THR MG 1 96 ALA HA 5.500 . 6.500 4.998 4.937 5.036 . 0 0 "[ . 1 . 2]" 1
305 1 89 ASP HA 1 90 THR MG 5.500 . 6.500 4.369 4.130 4.601 . 0 0 "[ . 1 . 2]" 1
306 1 90 THR MG 1 92 TYR H 5.500 . 6.500 3.467 3.174 3.862 . 0 0 "[ . 1 . 2]" 1
307 1 90 THR MG 1 92 TYR HA 5.500 . 6.500 4.354 3.680 5.232 . 0 0 "[ . 1 . 2]" 1
308 1 90 THR MG 1 92 TYR QB 5.500 . 6.500 3.476 2.722 4.613 . 0 0 "[ . 1 . 2]" 1
309 1 87 VAL MG2 1 90 THR MG 5.500 . 6.500 2.410 2.129 2.751 . 0 0 "[ . 1 . 2]" 1
310 1 90 THR MG 1 91 ASP HB3 5.500 . 6.500 5.261 5.232 5.277 . 0 0 "[ . 1 . 2]" 1
311 1 90 THR MG 1 91 ASP H 4.500 . 5.500 3.550 3.304 3.708 . 0 0 "[ . 1 . 2]" 1
312 1 90 THR MG 1 97 VAL H 5.500 . 6.500 5.451 5.427 5.470 . 0 0 "[ . 1 . 2]" 1
313 1 90 THR MG 1 96 ALA MB 5.500 . 6.500 3.672 3.596 3.807 . 0 0 "[ . 1 . 2]" 1
314 1 91 ASP H 1 96 ALA MB 4.700 . 5.700 2.548 2.370 3.131 . 0 0 "[ . 1 . 2]" 1
315 1 93 LYS H 1 93 LYS QB 3.500 . 4.500 2.593 2.275 2.799 . 0 0 "[ . 1 . 2]" 1
316 1 92 TYR QB 1 93 LYS H 5.500 . 6.500 3.608 3.427 3.722 . 0 0 "[ . 1 . 2]" 1
317 1 93 LYS QB 1 95 TYR H 4.500 . 5.500 4.484 3.745 4.992 . 0 0 "[ . 1 . 2]" 1
318 1 95 TYR H 1 128 ILE MG 6.500 . 7.500 6.155 6.140 6.172 . 0 0 "[ . 1 . 2]" 1
319 1 95 TYR QD 1 125 ALA MB 5.500 . 6.500 2.394 2.265 2.518 . 0 0 "[ . 1 . 2]" 1
320 1 95 TYR QE 1 125 ALA MB 5.500 . 6.500 3.740 3.640 3.943 . 0 0 "[ . 1 . 2]" 1
321 1 96 ALA MB 1 97 VAL H 4.000 . 5.000 2.828 2.719 3.046 . 0 0 "[ . 1 . 2]" 1
322 1 97 VAL H 1 97 VAL MG1 4.500 . 5.500 3.907 3.857 3.932 . 0 0 "[ . 1 . 2]" 1
323 1 97 VAL MG2 1 129 PHE QB 5.500 . 6.500 3.277 2.718 3.663 . 0 0 "[ . 1 . 2]" 1
324 1 97 VAL MG1 1 129 PHE QB 5.500 . 6.500 3.862 3.604 4.203 . 0 0 "[ . 1 . 2]" 1
325 1 97 VAL MG1 1 128 ILE MG 5.000 . 6.000 3.871 3.566 3.974 . 0 0 "[ . 1 . 2]" 1
326 1 97 VAL MG2 1 128 ILE MG 5.500 . 6.500 2.268 2.135 2.397 . 0 0 "[ . 1 . 2]" 1
327 1 97 VAL MG1 1 98 ILE H 5.500 . 6.500 2.872 2.578 3.087 . 0 0 "[ . 1 . 2]" 1
328 1 97 VAL MG2 1 98 ILE H 5.500 . 6.500 4.312 4.216 4.357 . 0 0 "[ . 1 . 2]" 1
329 1 98 ILE H 1 98 ILE MG 4.500 . 5.500 3.149 1.816 3.877 . 0 0 "[ . 1 . 2]" 1
330 1 98 ILE H 1 98 ILE MD 5.000 . 6.000 4.009 3.747 4.406 . 0 0 "[ . 1 . 2]" 1
331 1 98 ILE MG 1 99 TYR H 5.000 . 6.000 2.661 2.007 3.931 . 0 0 "[ . 1 . 2]" 1
332 1 87 VAL HA 1 98 ILE MD 4.500 . 5.500 3.601 3.231 3.962 . 0 0 "[ . 1 . 2]" 1
333 1 87 VAL HA 1 98 ILE MG 5.500 . 6.500 3.204 2.217 5.110 . 0 0 "[ . 1 . 2]" 1
334 1 100 ALA H 1 112 MET QG 5.500 . 6.500 5.319 4.786 5.662 . 0 0 "[ . 1 . 2]" 1
335 1 100 ALA MB 1 101 THR H 4.500 . 5.500 2.940 2.820 3.045 . 0 0 "[ . 1 . 2]" 1
336 1 86 GLU H 1 100 ALA MB 5.500 . 6.500 4.733 4.441 4.918 . 0 0 "[ . 1 . 2]" 1
337 1 85 VAL HA 1 100 ALA MB 5.500 . 6.500 3.699 3.533 4.002 . 0 0 "[ . 1 . 2]" 1
338 1 99 TYR HA 1 100 ALA MB 5.500 . 6.500 4.055 4.003 4.085 . 0 0 "[ . 1 . 2]" 1
339 1 85 VAL MG1 1 101 THR H 5.500 . 6.500 3.426 3.301 3.518 . 0 0 "[ . 1 . 2]" 1
340 1 101 THR MG 1 102 ARG H 4.000 . 5.000 3.919 2.631 4.223 . 0 0 "[ . 1 . 2]" 1
341 1 100 ALA HA 1 101 THR MG 5.500 . 6.500 3.537 3.165 5.411 . 0 0 "[ . 1 . 2]" 1
342 1 102 ARG H 1 102 ARG QD 5.500 . 6.500 4.695 3.947 5.054 . 0 0 "[ . 1 . 2]" 1
343 1 102 ARG H 1 108 THR MG 5.500 . 6.500 4.783 4.558 4.951 . 0 0 "[ . 1 . 2]" 1
344 1 103 VAL H 1 103 VAL MG1 4.000 . 5.000 1.812 1.788 1.871 . 0 0 "[ . 1 . 2]" 1
345 1 103 VAL MG2 1 104 LYS H 4.000 . 5.000 2.902 2.725 3.027 . 0 0 "[ . 1 . 2]" 1
346 1 103 VAL MG2 1 107 ARG H 4.500 . 5.500 3.736 3.621 3.879 . 0 0 "[ . 1 . 2]" 1
347 1 103 VAL MG2 1 106 GLY H 5.500 . 6.500 4.164 4.050 4.240 . 0 0 "[ . 1 . 2]" 1
348 1 107 ARG H 1 107 ARG QB 3.000 . 4.000 2.654 2.517 2.734 . 0 0 "[ . 1 . 2]" 1
349 1 107 ARG H 1 107 ARG QD 4.500 . 5.500 4.574 4.183 4.853 . 0 0 "[ . 1 . 2]" 1
350 1 108 THR H 1 108 THR MG 4.000 . 5.000 3.864 3.814 3.899 . 0 0 "[ . 1 . 2]" 1
351 1 109 LEU H 1 109 LEU MD2 5.000 . 6.000 4.498 3.601 4.767 . 0 0 "[ . 1 . 2]" 1
352 1 109 LEU MD1 1 110 HIS H 4.500 . 5.500 2.191 1.706 3.334 . 0 0 "[ . 1 . 2]" 1
353 1 109 LEU MD2 1 110 HIS H 5.500 . 6.500 3.952 3.418 4.654 . 0 0 "[ . 1 . 2]" 1
354 1 102 ARG HA 1 109 LEU MD2 5.500 . 6.500 5.241 5.196 5.312 . 0 0 "[ . 1 . 2]" 1
355 1 22 THR HA 1 109 LEU MD2 5.500 . 6.500 5.256 5.193 5.295 . 0 0 "[ . 1 . 2]" 1
356 1 101 THR MG 1 110 HIS HA 5.500 . 6.500 3.900 2.323 4.493 . 0 0 "[ . 1 . 2]" 1
357 1 100 ALA MB 1 110 HIS HA 5.500 . 6.500 4.930 4.755 5.056 . 0 0 "[ . 1 . 2]" 1
358 1 112 MET H 1 112 MET QG 4.500 . 5.500 3.172 1.845 4.194 . 0 0 "[ . 1 . 2]" 1
359 1 112 MET QG 1 113 ARG H 5.000 . 6.000 3.294 1.925 4.701 . 0 0 "[ . 1 . 2]" 1
360 1 112 MET QG 1 132 LEU MD1 5.500 . 6.500 4.227 3.625 4.640 . 0 0 "[ . 1 . 2]" 1
361 1 112 MET QG 1 143 VAL MG2 5.500 . 6.500 4.709 4.582 4.829 . 0 0 "[ . 1 . 2]" 1
362 1 99 TYR HA 1 112 MET QG 5.500 . 6.500 4.747 4.000 5.333 . 0 0 "[ . 1 . 2]" 1
363 1 112 MET ME 1 113 ARG H 5.500 . 6.500 4.519 4.215 4.811 . 0 0 "[ . 1 . 2]" 1
364 1 112 MET ME 1 133 ALA H 5.000 . 6.000 4.057 3.809 4.338 . 0 0 "[ . 1 . 2]" 1
365 1 112 MET ME 1 132 LEU H 5.500 . 6.500 5.158 4.653 5.481 . 0 0 "[ . 1 . 2]" 1
366 1 97 VAL HA 1 112 MET ME 5.500 . 6.500 5.210 4.870 5.374 . 0 0 "[ . 1 . 2]" 1
367 1 99 TYR HA 1 112 MET ME 5.500 . 6.500 4.159 3.643 4.437 . 0 0 "[ . 1 . 2]" 1
368 1 97 VAL HB 1 112 MET ME 5.500 . 6.500 4.386 3.910 4.674 . 0 0 "[ . 1 . 2]" 1
369 1 99 TYR HB2 1 112 MET ME 5.500 . 6.500 4.187 3.457 4.712 . 0 0 "[ . 1 . 2]" 1
370 1 112 MET ME 1 133 ALA HA 4.500 . 5.500 3.494 2.994 4.015 . 0 0 "[ . 1 . 2]" 1
371 1 112 MET ME 1 132 LEU MD1 4.500 . 5.500 2.233 1.807 3.292 . 0 0 "[ . 1 . 2]" 1
372 1 114 LEU QB 1 115 TYR H 5.000 . 6.000 3.734 3.498 3.787 . 0 0 "[ . 1 . 2]" 1
373 1 114 LEU MD2 1 129 PHE QB 4.500 . 5.500 2.218 2.087 2.339 . 0 0 "[ . 1 . 2]" 1
374 1 114 LEU MD1 1 115 TYR H 4.500 . 5.500 2.123 1.898 2.548 . 0 0 "[ . 1 . 2]" 1
375 1 114 LEU MD1 1 129 PHE QB 5.500 . 6.500 2.641 2.089 3.197 . 0 0 "[ . 1 . 2]" 1
376 1 114 LEU MD2 1 129 PHE H 5.000 . 6.000 4.108 3.928 4.305 . 0 0 "[ . 1 . 2]" 1
377 1 17 ALA H 1 114 LEU MD2 5.500 . 6.500 4.635 4.057 4.805 . 0 0 "[ . 1 . 2]" 1
378 1 114 LEU MD2 1 129 PHE QD 5.500 . 6.500 2.598 2.361 3.019 . 0 0 "[ . 1 . 2]" 1
379 1 114 LEU MD2 1 129 PHE QE 5.500 . 6.500 3.798 3.359 4.141 . 0 0 "[ . 1 . 2]" 1
380 1 114 LEU MD2 1 129 PHE HA 4.500 . 5.500 4.351 4.257 4.428 . 0 0 "[ . 1 . 2]" 1
381 1 114 LEU MD2 1 126 THR HB 4.500 . 5.500 4.555 4.309 4.640 . 0 0 "[ . 1 . 2]" 1
382 1 16 VAL HB 1 114 LEU MD2 5.500 . 6.500 5.216 4.991 5.292 . 0 0 "[ . 1 . 2]" 1
383 1 117 ARG H 1 117 ARG QD 5.000 . 6.000 4.129 3.978 4.319 . 0 0 "[ . 1 . 2]" 1
384 1 9 ILE MG 1 117 ARG QD 5.500 . 6.500 4.611 4.179 4.822 . 0 0 "[ . 1 . 2]" 1
385 1 118 SER QB 1 120 GLU H 3.500 . 4.500 2.921 2.457 3.032 . 0 0 "[ . 1 . 2]" 1
386 1 14 TYR QE 1 119 PRO HB2 5.500 . 6.500 4.752 3.625 5.923 . 0 0 "[ . 1 . 2]" 1
387 1 14 TYR QE 1 119 PRO HG2 5.500 . 6.500 4.724 4.001 5.403 . 0 0 "[ . 1 . 2]" 1
388 1 14 TYR QE 1 119 PRO HD2 5.500 . 6.500 5.215 4.230 5.938 . 0 0 "[ . 1 . 2]" 1
389 1 14 TYR QE 1 119 PRO HD3 5.500 . 6.500 3.957 2.562 4.964 . 0 0 "[ . 1 . 2]" 1
390 1 121 VAL H 1 121 VAL MG1 4.000 . 5.000 3.784 3.068 3.882 . 0 0 "[ . 1 . 2]" 1
391 1 121 VAL H 1 121 VAL MG2 3.500 . 4.500 2.488 1.923 2.716 . 0 0 "[ . 1 . 2]" 1
392 1 121 VAL MG1 1 122 SER H 3.500 . 4.500 2.867 2.523 3.673 . 0 0 "[ . 1 . 2]" 1
393 1 121 VAL MG2 1 122 SER H 4.500 . 5.500 4.136 4.062 4.234 . 0 0 "[ . 1 . 2]" 1
394 1 124 ALA MB 1 125 ALA H 3.500 . 4.500 2.655 2.528 2.714 . 0 0 "[ . 1 . 2]" 1
395 1 124 ALA MB 1 125 ALA HA 5.500 . 6.500 3.839 3.800 3.863 . 0 0 "[ . 1 . 2]" 1
396 1 124 ALA MB 1 126 THR H 5.500 . 6.500 4.571 4.388 4.720 . 0 0 "[ . 1 . 2]" 1
397 1 95 TYR HB2 1 125 ALA MB 5.500 . 6.500 2.439 2.229 2.838 . 0 0 "[ . 1 . 2]" 1
398 1 95 TYR HB3 1 125 ALA MB 5.500 . 6.500 2.109 2.031 2.177 . 0 0 "[ . 1 . 2]" 1
399 1 125 ALA MB 1 126 THR H 3.500 . 4.500 2.491 2.330 2.627 . 0 0 "[ . 1 . 2]" 1
400 1 114 LEU MD2 1 125 ALA MB 5.500 . 6.500 2.697 2.295 2.976 . 0 0 "[ . 1 . 2]" 1
401 1 16 VAL MG2 1 125 ALA MB 5.500 . 6.500 4.260 4.005 4.429 . 0 0 "[ . 1 . 2]" 1
402 1 114 LEU MD2 1 126 THR H 5.500 . 6.500 3.669 3.386 3.907 . 0 0 "[ . 1 . 2]" 1
403 1 126 THR HB 1 129 PHE QB 6.000 . 7.000 4.694 4.611 4.805 . 0 0 "[ . 1 . 2]" 1
404 1 126 THR HB 1 145 MET ME 6.000 . 7.000 4.559 4.031 5.804 . 0 0 "[ . 1 . 2]" 1
405 1 126 THR MG 1 127 ALA H 4.000 . 5.000 4.106 4.041 4.171 . 0 0 "[ . 1 . 2]" 1
406 1 126 THR MG 1 145 MET H 5.500 . 6.500 5.496 5.457 5.531 . 0 0 "[ . 1 . 2]" 1
407 1 126 THR MG 1 129 PHE QB 5.500 . 6.500 3.452 3.346 3.551 . 0 0 "[ . 1 . 2]" 1
408 1 126 THR MG 1 145 MET ME 5.500 . 6.500 2.212 1.957 3.211 . 0 0 "[ . 1 . 2]" 1
409 1 114 LEU MD2 1 126 THR MG 5.500 . 6.500 2.888 2.645 3.019 . 0 0 "[ . 1 . 2]" 1
410 1 127 ALA MB 1 128 ILE H 5.500 . 6.500 2.370 2.301 2.423 . 0 0 "[ . 1 . 2]" 1
411 1 127 ALA MB 1 129 PHE QB 5.500 . 6.500 4.877 4.841 4.917 . 0 0 "[ . 1 . 2]" 1
412 1 128 ILE H 1 128 ILE MD 4.500 . 5.500 4.162 4.145 4.176 . 0 0 "[ . 1 . 2]" 1
413 1 128 ILE MG 1 129 PHE H 4.500 . 5.500 1.843 1.742 1.937 . 0 0 "[ . 1 . 2]" 1
414 1 89 ASP HB2 1 128 ILE MG 5.500 . 6.500 5.268 5.184 5.301 . 0 0 "[ . 1 . 2]" 1
415 1 89 ASP HB3 1 128 ILE MG 5.500 . 6.500 4.465 4.283 4.634 . 0 0 "[ . 1 . 2]" 1
416 1 128 ILE MG 1 129 PHE HA 4.500 . 5.500 2.913 2.875 2.954 . 0 0 "[ . 1 . 2]" 1
417 1 125 ALA HA 1 128 ILE MG 5.500 . 6.500 2.661 2.488 2.844 . 0 0 "[ . 1 . 2]" 1
418 1 128 ILE MG 1 129 PHE QB 5.500 . 6.500 2.912 2.822 3.010 . 0 0 "[ . 1 . 2]" 1
419 1 128 ILE MD 1 131 LYS HA 5.500 . 6.500 5.071 4.945 5.223 . 0 0 "[ . 1 . 2]" 1
420 1 125 ALA HA 1 128 ILE MD 6.000 . 7.000 5.528 5.356 5.702 . 0 0 "[ . 1 . 2]" 1
421 1 128 ILE MD 1 129 PHE QB 5.500 . 6.500 4.574 4.502 4.637 . 0 0 "[ . 1 . 2]" 1
422 1 129 PHE H 1 129 PHE QB 3.500 . 4.500 2.226 2.188 2.271 . 0 0 "[ . 1 . 2]" 1
423 1 129 PHE QB 1 130 ARG H 3.500 . 4.500 2.440 2.395 2.471 . 0 0 "[ . 1 . 2]" 1
424 1 129 PHE QB 1 131 LYS H 5.000 . 6.000 4.652 4.499 4.748 . 0 0 "[ . 1 . 2]" 1
425 1 130 ARG H 1 130 ARG QG 4.000 . 5.000 3.431 2.457 3.956 . 0 0 "[ . 1 . 2]" 1
426 1 131 LYS H 1 131 LYS QB 3.000 . 4.000 2.338 2.222 2.522 . 0 0 "[ . 1 . 2]" 1
427 1 131 LYS H 1 132 LEU MD2 5.000 . 6.000 4.454 3.989 4.828 . 0 0 "[ . 1 . 2]" 1
428 1 131 LYS HA 1 133 ALA MB 5.500 . 6.500 5.104 4.881 5.269 . 0 0 "[ . 1 . 2]" 1
429 1 131 LYS QB 1 132 LEU H 3.500 . 4.500 2.214 2.120 2.421 . 0 0 "[ . 1 . 2]" 1
430 1 132 LEU H 1 132 LEU MD2 3.500 . 4.500 2.419 1.938 2.828 . 0 0 "[ . 1 . 2]" 1
431 1 132 LEU QB 1 133 ALA H 5.500 . 6.500 2.852 2.372 3.446 . 0 0 "[ . 1 . 2]" 1
432 1 133 ALA HA 1 138 TYR QD 5.500 . 6.500 4.042 2.763 4.289 . 0 0 "[ . 1 . 2]" 1
433 1 129 PHE QE 1 133 ALA HA 5.500 . 6.500 5.602 5.069 6.056 . 0 0 "[ . 1 . 2]" 1
434 1 133 ALA HA 1 138 TYR QB 5.500 . 6.500 3.339 3.018 3.665 . 0 0 "[ . 1 . 2]" 1
435 1 133 ALA MB 1 134 GLY H 4.000 . 5.000 2.660 2.523 2.777 . 0 0 "[ . 1 . 2]" 1
436 1 133 ALA MB 1 135 GLU H 4.500 . 5.500 4.503 4.372 4.599 . 0 0 "[ . 1 . 2]" 1
437 1 133 ALA MB 1 136 ARG H 4.500 . 5.500 4.364 4.285 4.537 . 0 0 "[ . 1 . 2]" 1
438 1 112 MET ME 1 133 ALA MB 5.500 . 6.500 3.771 3.138 4.255 . 0 0 "[ . 1 . 2]" 1
439 1 133 ALA MB 1 138 TYR HA 5.500 . 6.500 4.939 4.750 5.203 . 0 0 "[ . 1 . 2]" 1
440 1 133 ALA MB 1 138 TYR QB 4.000 . 5.000 2.578 2.148 3.006 . 0 0 "[ . 1 . 2]" 1
441 1 130 ARG HA 1 133 ALA MB 3.500 . 4.500 2.389 2.247 2.746 . 0 0 "[ . 1 . 2]" 1
442 1 130 ARG HB3 1 133 ALA MB 5.500 . 6.500 4.578 3.953 5.174 . 0 0 "[ . 1 . 2]" 1
443 1 133 ALA MB 1 138 TYR QD 3.500 . 4.500 2.669 2.248 3.148 . 0 0 "[ . 1 . 2]" 1
444 1 133 ALA MB 1 138 TYR QE 5.500 . 6.500 3.308 2.597 4.623 . 0 0 "[ . 1 . 2]" 1
445 1 135 GLU H 1 135 GLU QG 3.500 . 4.500 2.983 1.967 4.012 . 0 0 "[ . 1 . 2]" 1
446 1 135 GLU H 1 135 GLU QB 3.000 . 4.000 2.335 2.235 2.511 . 0 0 "[ . 1 . 2]" 1
447 1 135 GLU H 1 136 ARG QB 4.500 . 5.500 4.403 4.290 4.697 . 0 0 "[ . 1 . 2]" 1
448 1 135 GLU QG 1 136 ARG H 5.500 . 6.500 4.221 4.075 4.565 . 0 0 "[ . 1 . 2]" 1
449 1 136 ARG H 1 136 ARG QD 4.500 . 5.500 4.092 2.275 4.741 . 0 0 "[ . 1 . 2]" 1
450 1 136 ARG H 1 136 ARG QB 3.000 . 4.000 2.363 2.226 2.507 . 0 0 "[ . 1 . 2]" 1
451 1 136 ARG QB 1 137 ASN H 4.000 . 5.000 3.558 3.464 3.722 . 0 0 "[ . 1 . 2]" 1
452 1 134 GLY QA 1 137 ASN H 5.500 . 6.500 3.335 3.105 3.696 . 0 0 "[ . 1 . 2]" 1
453 1 138 TYR H 1 138 TYR QB 3.500 . 4.500 2.304 2.216 2.413 . 0 0 "[ . 1 . 2]" 1
454 1 134 GLY QA 1 138 TYR H 4.500 . 5.500 2.956 2.630 3.308 . 0 0 "[ . 1 . 2]" 1
455 1 133 ALA MB 1 138 TYR H 4.000 . 5.000 4.026 3.870 4.076 . 0 0 "[ . 1 . 2]" 1
456 1 138 TYR HA 1 138 TYR QD 3.500 . 4.500 3.141 2.110 3.597 . 0 0 "[ . 1 . 2]" 1
457 1 139 THR H 1 139 THR MG 4.000 . 5.000 2.164 1.853 2.358 . 0 0 "[ . 1 . 2]" 1
458 1 139 THR MG 1 140 ASP H 4.000 . 5.000 4.210 4.157 4.243 . 0 0 "[ . 1 . 2]" 1
459 1 139 THR MG 1 141 GLU H 5.000 . 6.000 4.739 4.641 4.883 . 0 0 "[ . 1 . 2]" 1
460 1 139 THR MG 1 142 MET ME 4.500 . 5.500 3.582 3.343 3.663 . 0 0 "[ . 1 . 2]" 1
461 1 138 TYR HA 1 139 THR MG 5.500 . 6.500 3.143 3.022 3.342 . 0 0 "[ . 1 . 2]" 1
462 1 140 ASP H 1 140 ASP QB 3.000 . 4.000 2.409 2.240 2.524 . 0 0 "[ . 1 . 2]" 1
463 1 140 ASP HA 1 143 VAL MG2 5.500 . 6.500 5.039 4.951 5.175 . 0 0 "[ . 1 . 2]" 1
464 1 140 ASP QB 1 141 GLU H 3.500 . 4.500 2.899 2.260 3.239 . 0 0 "[ . 1 . 2]" 1
465 1 141 GLU H 1 141 GLU QG 3.500 . 4.500 2.571 1.759 3.905 . 0 0 "[ . 1 . 2]" 1
466 1 141 GLU QG 1 142 MET H 4.500 . 5.500 3.736 2.429 4.224 . 0 0 "[ . 1 . 2]" 1
467 1 142 MET H 1 142 MET QB 3.500 . 4.500 2.511 2.221 2.631 . 0 0 "[ . 1 . 2]" 1
468 1 26 LEU MD1 1 142 MET HG2 5.500 . 6.500 4.656 3.808 5.267 . 0 0 "[ . 1 . 2]" 1
469 1 26 LEU MD2 1 142 MET HG3 5.500 . 6.500 4.659 3.155 5.242 . 0 0 "[ . 1 . 2]" 1
470 1 21 ASN HA 1 142 MET ME 4.500 . 5.500 2.239 2.058 2.413 . 0 0 "[ . 1 . 2]" 1
471 1 21 ASN HB2 1 142 MET ME 4.500 . 5.500 3.870 2.279 4.591 . 0 0 "[ . 1 . 2]" 1
472 1 21 ASN HB3 1 142 MET ME 4.500 . 5.500 3.705 2.271 4.588 . 0 0 "[ . 1 . 2]" 1
473 1 23 GLU HA 1 142 MET ME 5.500 . 6.500 5.351 5.171 5.466 . 0 0 "[ . 1 . 2]" 1
474 1 143 VAL H 1 143 VAL MG2 4.500 . 5.500 3.925 3.898 3.946 . 0 0 "[ . 1 . 2]" 1
475 1 142 MET ME 1 143 VAL H 5.500 . 6.500 5.308 5.251 5.335 . 0 0 "[ . 1 . 2]" 1
476 1 143 VAL MG1 1 144 ALA H 4.000 . 5.000 3.855 3.790 3.963 . 0 0 "[ . 1 . 2]" 1
477 1 143 VAL MG1 1 145 MET H 5.000 . 6.000 4.298 4.052 4.524 . 0 0 "[ . 1 . 2]" 1
478 1 130 ARG HA 1 143 VAL MG1 5.500 . 6.500 4.511 4.017 4.786 . 0 0 "[ . 1 . 2]" 1
479 1 142 MET HG3 1 143 VAL MG1 5.500 . 6.500 5.247 5.177 5.373 . 0 0 "[ . 1 . 2]" 1
480 1 143 VAL MG2 1 144 ALA H 5.000 . 6.000 2.692 2.504 2.919 . 0 0 "[ . 1 . 2]" 1
481 1 143 VAL MG2 1 145 MET ME 5.500 . 6.500 3.410 2.011 4.382 . 0 0 "[ . 1 . 2]" 1
482 1 144 ALA MB 1 145 MET H 3.890 . 4.890 3.271 3.119 3.390 . 0 0 "[ . 1 . 2]" 1
483 1 18 LEU H 1 144 ALA MB 4.500 . 5.500 3.766 3.307 4.132 . 0 0 "[ . 1 . 2]" 1
484 1 29 LYS H 1 144 ALA MB 5.500 . 6.500 4.958 4.325 5.461 . 0 0 "[ . 1 . 2]" 1
485 1 29 LYS HB3 1 144 ALA MB 5.500 . 6.500 3.072 2.235 3.792 . 0 0 "[ . 1 . 2]" 1
486 1 29 LYS QE 1 144 ALA MB 5.500 . 6.500 4.112 3.339 4.659 . 0 0 "[ . 1 . 2]" 1
487 1 145 MET H 1 145 MET QB 3.500 . 4.500 2.356 1.983 2.853 . 0 0 "[ . 1 . 2]" 1
488 1 17 ALA HA 1 145 MET ME 5.500 . 6.500 3.833 3.271 4.362 . 0 0 "[ . 1 . 2]" 1
489 1 145 MET ME 1 146 LEU H 4.500 . 5.500 3.579 2.179 4.636 . 0 0 "[ . 1 . 2]" 1
490 1 126 THR HA 1 145 MET ME 5.500 . 6.500 3.668 2.804 4.866 . 0 0 "[ . 1 . 2]" 1
491 1 114 LEU MD2 1 145 MET ME 5.500 . 6.500 2.818 2.048 4.073 . 0 0 "[ . 1 . 2]" 1
492 1 146 LEU H 1 146 LEU MD2 4.500 . 5.500 4.292 3.960 4.439 . 0 0 "[ . 1 . 2]" 1
493 1 34 MET HA 1 146 LEU MD1 5.500 . 6.500 4.291 2.309 4.833 . 0 0 "[ . 1 . 2]" 1
494 1 146 LEU MD2 1 147 PRO QD 5.500 . 6.500 3.530 2.922 3.717 . 0 0 "[ . 1 . 2]" 1
495 1 34 MET HA 1 146 LEU MD2 5.500 . 6.500 2.644 2.152 4.249 . 0 0 "[ . 1 . 2]" 1
496 1 31 LYS QE 1 146 LEU MD2 5.500 . 6.500 4.798 4.731 4.962 . 0 0 "[ . 1 . 2]" 1
497 1 16 VAL HB 1 146 LEU MD2 5.500 . 6.500 5.349 5.288 5.520 . 0 0 "[ . 1 . 2]" 1
498 1 147 PRO QG 1 148 ARG H 4.000 . 5.000 4.166 3.960 4.351 . 0 0 "[ . 1 . 2]" 1
499 1 146 LEU MD2 1 147 PRO QG 5.500 . 6.500 4.757 4.503 4.847 . 0 0 "[ . 1 . 2]" 1
500 1 148 ARG H 1 148 ARG QD 4.000 . 5.000 3.573 2.045 4.139 . 0 0 "[ . 1 . 2]" 1
501 1 148 ARG H 1 148 ARG QB 3.000 . 4.000 2.438 2.310 2.601 . 0 0 "[ . 1 . 2]" 1
502 1 148 ARG QB 1 149 GLN H 4.500 . 5.500 3.496 3.018 3.780 . 0 0 "[ . 1 . 2]" 1
503 1 148 ARG QG 1 149 GLN H 4.500 . 5.500 3.385 2.600 4.798 . 0 0 "[ . 1 . 2]" 1
504 1 149 GLN QB 1 150 GLU H 3.500 . 4.500 3.333 3.063 3.792 . 0 0 "[ . 1 . 2]" 1
505 1 149 GLN H 1 149 GLN QB 3.500 . 4.500 2.448 2.082 2.649 . 0 0 "[ . 1 . 2]" 1
506 1 151 GLU H 1 151 GLU QB 3.000 . 4.000 2.584 2.461 2.796 . 0 0 "[ . 1 . 2]" 1
507 1 151 GLU H 1 153 THR MG 5.000 . 6.000 4.212 3.954 4.450 . 0 0 "[ . 1 . 2]" 1
508 1 151 GLU QB 1 152 CYS H 4.000 . 5.000 2.554 1.754 2.863 . 0 0 "[ . 1 . 2]" 1
509 1 152 CYS H 1 153 THR MG 5.000 . 5.500 3.755 3.524 4.199 . 0 0 "[ . 1 . 2]" 1
510 1 153 THR H 1 153 THR MG 4.000 . 5.000 3.091 2.595 3.246 . 0 0 "[ . 1 . 2]" 1
511 1 153 THR HB 1 154 VAL MG1 5.500 . 6.500 4.098 3.730 4.451 . 0 0 "[ . 1 . 2]" 1
512 1 153 THR MG 1 154 VAL H 4.500 . 5.500 3.757 3.650 4.111 . 0 0 "[ . 1 . 2]" 1
513 1 150 GLU HA 1 153 THR MG 4.500 . 5.500 4.591 4.533 4.628 . 0 0 "[ . 1 . 2]" 1
514 1 152 CYS HB2 1 153 THR MG 5.500 . 6.500 4.856 4.513 5.221 . 0 0 "[ . 1 . 2]" 1
515 1 152 CYS HB3 1 153 THR MG 5.500 . 6.500 4.552 4.456 4.639 . 0 0 "[ . 1 . 2]" 1
516 1 36 MET QG 1 153 THR MG 5.500 . 6.500 3.310 2.905 3.638 . 0 0 "[ . 1 . 2]" 1
517 1 36 MET QG 1 154 VAL H 5.500 . 6.500 3.034 2.584 3.583 . 0 0 "[ . 1 . 2]" 1
518 1 154 VAL H 1 154 VAL MG1 3.500 . 4.500 1.919 1.770 2.256 . 0 0 "[ . 1 . 2]" 1
519 1 154 VAL MG1 1 155 ASP H 4.000 . 5.000 3.859 3.595 3.955 . 0 0 "[ . 1 . 2]" 1
520 1 154 VAL MG2 1 156 GLU H 5.000 . 6.000 4.732 4.456 4.809 . 0 0 "[ . 1 . 2]" 1
521 1 154 VAL MG2 1 155 ASP HA 5.500 . 6.500 3.966 3.444 4.428 . 0 0 "[ . 1 . 2]" 1
522 1 157 VAL H 1 157 VAL QG 4.000 . 5.000 2.031 1.709 2.504 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 608
_Distance_constraint_stats_list.Viol_count 1021
_Distance_constraint_stats_list.Viol_total 583.728
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0286
_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 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.904 0.061 19 0 "[ . 1 . 2]"
1 10 ALA 0.129 0.023 11 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.104 0.032 5 0 "[ . 1 . 2]"
1 13 TRP 4.165 0.198 19 0 "[ . 1 . 2]"
1 14 TYR 0.148 0.023 18 0 "[ . 1 . 2]"
1 15 VAL 0.067 0.013 10 0 "[ . 1 . 2]"
1 16 VAL 0.011 0.004 14 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.465 0.039 3 0 "[ . 1 . 2]"
1 19 ALA 0.148 0.033 18 0 "[ . 1 . 2]"
1 20 SER 0.678 0.038 15 0 "[ . 1 . 2]"
1 21 ASN 0.471 0.038 15 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.737 0.086 16 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.737 0.086 16 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.281 0.037 20 0 "[ . 1 . 2]"
1 33 LYS 0.345 0.037 20 0 "[ . 1 . 2]"
1 34 MET 1.082 0.080 15 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.252 0.033 6 0 "[ . 1 . 2]"
1 39 ILE 3.286 0.198 19 0 "[ . 1 . 2]"
1 40 SER 0.006 0.002 19 0 "[ . 1 . 2]"
1 41 PHE 0.285 0.051 16 0 "[ . 1 . 2]"
1 42 LEU 0.736 0.051 16 0 "[ . 1 . 2]"
1 43 GLY 0.452 0.039 16 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.202 0.018 3 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.030 0.030 1 0 "[ . 1 . 2]"
1 48 LYS 0.035 0.030 1 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.044 0.005 10 0 "[ . 1 . 2]"
1 51 TYR 0.246 0.033 6 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.105 0.022 9 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.086 0.022 9 0 "[ . 1 . 2]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.019 0.006 4 0 "[ . 1 . 2]"
1 61 LYS 0.112 0.030 14 0 "[ . 1 . 2]"
1 62 TRP 0.426 0.030 14 0 "[ . 1 . 2]"
1 63 GLU 0.352 0.029 19 0 "[ . 1 . 2]"
1 64 THR 0.056 0.010 19 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 0.091 0.026 11 0 "[ . 1 . 2]"
1 68 LYS 0.202 0.018 3 0 "[ . 1 . 2]"
1 69 THR 0.596 0.087 19 0 "[ . 1 . 2]"
1 70 SER 0.306 0.044 9 0 "[ . 1 . 2]"
1 71 ASP 0.424 0.044 9 0 "[ . 1 . 2]"
1 72 ASP 0.768 0.047 15 0 "[ . 1 . 2]"
1 73 GLY 0.222 0.025 6 0 "[ . 1 . 2]"
1 74 GLU 0.546 0.047 15 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.816 0.070 17 0 "[ . 1 . 2]"
1 77 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.042 0.011 2 0 "[ . 1 . 2]"
1 79 GLU 0.084 0.042 14 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.457 0.044 19 0 "[ . 1 . 2]"
1 83 LYS 0.457 0.044 19 0 "[ . 1 . 2]"
1 84 LYS 0.940 0.062 12 0 "[ . 1 . 2]"
1 85 VAL 0.940 0.062 12 0 "[ . 1 . 2]"
1 86 GLU 0.068 0.013 13 0 "[ . 1 . 2]"
1 87 VAL 0.665 0.070 17 0 "[ . 1 . 2]"
1 88 LEU 0.037 0.020 20 0 "[ . 1 . 2]"
1 89 ASP 0.252 0.029 15 0 "[ . 1 . 2]"
1 90 THR 0.848 0.069 15 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 0.063 0.010 6 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.848 0.069 15 0 "[ . 1 . 2]"
1 98 ILE 0.056 0.021 11 0 "[ . 1 . 2]"
1 99 TYR 0.003 0.002 10 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.005 0.002 10 0 "[ . 1 . 2]"
1 102 ARG 0.248 0.030 12 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.321 0.023 19 0 "[ . 1 . 2]"
1 106 GLY 0.321 0.023 19 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 THR 0.248 0.030 12 0 "[ . 1 . 2]"
1 109 LEU 1.741 0.108 4 0 "[ . 1 . 2]"
1 110 HIS 1.741 0.108 4 0 "[ . 1 . 2]"
1 111 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.179 0.009 11 0 "[ . 1 . 2]"
1 117 ARG 0.559 0.042 2 0 "[ . 1 . 2]"
1 118 SER 0.835 0.075 2 0 "[ . 1 . 2]"
1 119 PRO 0.419 0.075 2 0 "[ . 1 . 2]"
1 120 GLU 0.907 0.052 19 0 "[ . 1 . 2]"
1 121 VAL 0.740 0.052 19 0 "[ . 1 . 2]"
1 122 SER 0.049 0.025 20 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.977 0.055 18 0 "[ . 1 . 2]"
1 129 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 2.030 0.096 17 0 "[ . 1 . 2]"
1 138 TYR 1.577 0.096 17 0 "[ . 1 . 2]"
1 139 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ASP 0.156 0.022 4 0 "[ . 1 . 2]"
1 141 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 VAL 0.156 0.022 4 0 "[ . 1 . 2]"
1 144 ALA 0.522 0.039 3 0 "[ . 1 . 2]"
1 145 MET 1.405 0.156 4 0 "[ . 1 . 2]"
1 146 LEU 2.060 0.141 9 0 "[ . 1 . 2]"
1 147 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLN 0.311 0.065 8 0 "[ . 1 . 2]"
1 150 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 GLU 0.190 0.031 12 0 "[ . 1 . 2]"
1 152 CYS 0.456 0.038 9 0 "[ . 1 . 2]"
1 153 THR 0.265 0.038 9 0 "[ . 1 . 2]"
1 154 VAL 1.753 0.056 6 0 "[ . 1 . 2]"
1 155 ASP 2.525 0.060 9 0 "[ . 1 . 2]"
1 156 GLU 1.988 0.060 9 0 "[ . 1 . 2]"
1 157 VAL 0.291 0.043 18 0 "[ . 1 . 2]"
2 1 EB4 0.055 0.017 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 SER H 1 8 GLU H 4.500 . 4.500 2.688 2.576 2.769 . 0 0 "[ . 1 . 2]" 2
2 1 7 SER H 1 9 ILE H 5.500 . 5.500 4.598 4.433 4.740 . 0 0 "[ . 1 . 2]" 2
3 1 7 SER HA 1 9 ILE H 5.000 . 5.000 4.604 4.531 4.673 . 0 0 "[ . 1 . 2]" 2
4 1 8 GLU H 1 9 ILE H 4.400 . 4.400 2.816 2.695 2.900 . 0 0 "[ . 1 . 2]" 2
5 1 8 GLU H 1 10 ALA H 5.500 . 5.500 3.883 3.780 4.074 . 0 0 "[ . 1 . 2]" 2
6 1 9 ILE H 1 9 ILE HB 3.500 . 3.500 2.657 2.480 3.141 . 0 0 "[ . 1 . 2]" 2
7 1 9 ILE HA 1 10 ALA H 3.500 . 3.500 3.491 3.449 3.523 0.023 11 0 "[ . 1 . 2]" 2
8 1 9 ILE HB 1 10 ALA H 4.500 . 4.500 3.966 3.815 4.319 . 0 0 "[ . 1 . 2]" 2
9 1 10 ALA H 1 11 GLY H 5.000 . 5.000 4.620 4.578 4.666 . 0 0 "[ . 1 . 2]" 2
10 1 11 GLY H 1 38 ARG HA 5.500 . 5.500 3.277 2.757 3.703 . 0 0 "[ . 1 . 2]" 2
11 1 10 ALA HA 1 11 GLY H 3.500 . 3.500 2.203 2.152 2.270 . 0 0 "[ . 1 . 2]" 2
12 1 11 GLY HA2 1 12 LYS H 4.500 . 4.500 3.515 3.500 3.535 . 0 0 "[ . 1 . 2]" 2
13 1 11 GLY HA3 1 12 LYS H 3.500 . 3.500 2.936 2.919 2.958 . 0 0 "[ . 1 . 2]" 2
14 1 12 LYS H 1 12 LYS HB2 3.500 . 3.500 3.306 2.952 3.483 . 0 0 "[ . 1 . 2]" 2
15 1 12 LYS H 1 13 TRP H 5.000 . 5.000 3.859 3.818 3.902 . 0 0 "[ . 1 . 2]" 2
16 1 12 LYS HB2 1 13 TRP H 4.500 . 4.500 4.496 4.447 4.532 0.032 5 0 "[ . 1 . 2]" 2
17 1 13 TRP H 1 38 ARG HA 5.000 . 5.000 3.070 2.560 3.494 . 0 0 "[ . 1 . 2]" 2
18 1 12 LYS HA 1 13 TRP H 2.500 . 2.500 2.205 2.164 2.241 . 0 0 "[ . 1 . 2]" 2
19 1 13 TRP HB2 1 14 TYR H 5.000 . 5.000 4.348 4.315 4.381 . 0 0 "[ . 1 . 2]" 2
20 1 13 TRP HE1 1 39 ILE H 5.500 . 5.500 3.178 2.896 3.424 . 0 0 "[ . 1 . 2]" 2
21 1 9 ILE HG12 1 13 TRP HE1 5.500 . 5.500 3.503 2.339 5.014 . 0 0 "[ . 1 . 2]" 2
22 1 9 ILE HB 1 13 TRP HE1 5.500 . 5.500 5.236 4.978 5.557 0.057 18 0 "[ . 1 . 2]" 2
23 1 9 ILE HA 1 13 TRP HE1 5.500 . 5.500 4.857 4.488 5.211 . 0 0 "[ . 1 . 2]" 2
24 1 13 TRP HD1 1 38 ARG HA 6.000 . 6.000 2.835 2.605 3.273 . 0 0 "[ . 1 . 2]" 2
25 1 9 ILE HG12 1 13 TRP HD1 5.500 . 5.500 4.125 3.142 5.250 . 0 0 "[ . 1 . 2]" 2
26 1 13 TRP HD1 1 39 ILE H 5.500 . 5.500 3.067 2.932 3.237 . 0 0 "[ . 1 . 2]" 2
27 1 13 TRP HZ2 1 39 ILE HA 6.000 . 6.000 6.164 6.136 6.198 0.198 19 0 "[ . 1 . 2]" 2
28 1 9 ILE HG12 1 13 TRP HZ2 5.500 . 5.500 4.189 2.402 5.561 0.061 19 0 "[ . 1 . 2]" 2
29 1 13 TRP HA 1 14 TYR H 2.500 . 2.500 2.252 2.228 2.277 . 0 0 "[ . 1 . 2]" 2
30 1 14 TYR H 1 117 ARG HA 4.500 . 4.500 4.184 3.723 4.523 0.023 18 0 "[ . 1 . 2]" 2
31 1 14 TYR H 1 116 SER H 4.500 . 4.500 3.546 3.273 3.820 . 0 0 "[ . 1 . 2]" 2
32 1 14 TYR H 1 115 TYR HA 5.500 . 5.500 4.871 4.612 5.048 . 0 0 "[ . 1 . 2]" 2
33 1 14 TYR H 1 15 VAL H 5.500 . 5.500 4.468 4.405 4.519 . 0 0 "[ . 1 . 2]" 2
34 1 15 VAL H 1 15 VAL HB 3.500 . 3.500 2.422 2.368 2.475 . 0 0 "[ . 1 . 2]" 2
35 1 14 TYR HA 1 15 VAL H 2.500 . 2.500 2.140 2.092 2.187 . 0 0 "[ . 1 . 2]" 2
36 1 15 VAL H 1 36 MET HA 4.500 . 4.500 2.788 2.053 3.518 . 0 0 "[ . 1 . 2]" 2
37 1 14 TYR HB2 1 15 VAL H 4.500 . 4.500 4.469 4.332 4.513 0.013 10 0 "[ . 1 . 2]" 2
38 1 14 TYR HB3 1 15 VAL H 4.500 . 4.500 3.613 3.254 3.825 . 0 0 "[ . 1 . 2]" 2
39 1 15 VAL HA 1 16 VAL H 2.500 . 2.500 2.230 2.208 2.264 . 0 0 "[ . 1 . 2]" 2
40 1 16 VAL H 1 17 ALA H 3.500 . 3.500 2.138 1.895 2.531 . 0 0 "[ . 1 . 2]" 2
41 1 16 VAL H 1 115 TYR HA 5.500 . 5.500 2.736 2.480 3.340 . 0 0 "[ . 1 . 2]" 2
42 1 16 VAL HB 1 17 ALA H 5.000 . 5.000 4.368 4.075 4.523 . 0 0 "[ . 1 . 2]" 2
43 1 15 VAL HA 1 17 ALA H 4.000 . 4.000 3.738 3.453 3.833 . 0 0 "[ . 1 . 2]" 2
44 1 16 VAL HA 1 17 ALA H 4.500 . 4.500 3.258 3.116 3.513 . 0 0 "[ . 1 . 2]" 2
45 1 17 ALA H 1 114 LEU H 4.500 . 4.500 3.295 2.593 3.585 . 0 0 "[ . 1 . 2]" 2
46 1 17 ALA H 1 114 LEU HA 5.500 . 5.500 5.272 4.805 5.474 . 0 0 "[ . 1 . 2]" 2
47 1 17 ALA H 1 115 TYR HA 5.500 . 5.500 4.436 4.277 4.633 . 0 0 "[ . 1 . 2]" 2
48 1 17 ALA HA 1 18 LEU H 2.500 . 2.500 2.230 2.192 2.335 . 0 0 "[ . 1 . 2]" 2
49 1 18 LEU H 1 144 ALA H 5.500 . 5.500 3.244 2.958 3.584 . 0 0 "[ . 1 . 2]" 2
50 1 18 LEU H 1 114 LEU H 5.500 . 5.500 4.574 4.498 4.647 . 0 0 "[ . 1 . 2]" 2
51 1 18 LEU HA 1 113 ARG HA 5.500 . 5.500 2.254 2.018 2.486 . 0 0 "[ . 1 . 2]" 2
52 1 18 LEU HG 1 19 ALA H 4.500 . 4.500 2.940 1.741 4.533 0.033 18 0 "[ . 1 . 2]" 2
53 1 19 ALA H 1 20 SER H 5.000 . 5.000 4.380 4.277 4.499 . 0 0 "[ . 1 . 2]" 2
54 1 18 LEU HA 1 19 ALA H 2.500 . 2.500 2.297 2.204 2.439 . 0 0 "[ . 1 . 2]" 2
55 1 19 ALA H 1 112 MET H 4.500 . 4.500 2.954 2.747 3.303 . 0 0 "[ . 1 . 2]" 2
56 1 19 ALA H 1 113 ARG HA 5.500 . 5.500 3.593 3.433 3.801 . 0 0 "[ . 1 . 2]" 2
57 1 19 ALA HA 1 143 VAL HA 5.500 . 5.500 2.316 2.267 2.418 . 0 0 "[ . 1 . 2]" 2
58 1 20 SER H 1 144 ALA H 5.500 . 5.500 5.358 4.955 5.537 0.037 3 0 "[ . 1 . 2]" 2
59 1 19 ALA HA 1 20 SER H 2.500 . 2.500 2.296 2.190 2.394 . 0 0 "[ . 1 . 2]" 2
60 1 20 SER H 1 143 VAL HA 4.500 . 4.500 3.907 3.465 4.096 . 0 0 "[ . 1 . 2]" 2
61 1 20 SER H 1 142 MET HA 5.500 . 5.500 3.887 3.695 4.201 . 0 0 "[ . 1 . 2]" 2
62 1 20 SER HA 1 21 ASN H 2.500 . 2.500 2.523 2.495 2.538 0.038 15 0 "[ . 1 . 2]" 2
63 1 21 ASN H 1 22 THR H 3.500 . 3.500 1.757 1.657 1.861 . 0 0 "[ . 1 . 2]" 2
64 1 22 THR H 1 23 GLU H 5.500 . 5.500 4.270 4.186 4.363 . 0 0 "[ . 1 . 2]" 2
65 1 21 ASN HA 1 22 THR H 4.500 . 4.500 3.382 3.306 3.434 . 0 0 "[ . 1 . 2]" 2
66 1 20 SER HA 1 22 THR H 4.500 . 4.500 3.992 3.905 4.086 . 0 0 "[ . 1 . 2]" 2
67 1 22 THR H 1 25 PHE H 5.500 . 5.500 4.826 4.576 5.232 . 0 0 "[ . 1 . 2]" 2
68 1 22 THR H 1 26 LEU H 5.500 . 5.500 4.796 4.336 5.135 . 0 0 "[ . 1 . 2]" 2
69 1 22 THR HA 1 23 GLU H 3.500 . 3.500 2.158 2.134 2.242 . 0 0 "[ . 1 . 2]" 2
70 1 23 GLU H 1 24 PHE H 4.500 . 4.500 2.920 2.825 2.975 . 0 0 "[ . 1 . 2]" 2
71 1 23 GLU H 1 25 PHE H 5.500 . 5.500 4.814 4.652 4.899 . 0 0 "[ . 1 . 2]" 2
72 1 23 GLU HA 1 25 PHE H 4.500 . 4.500 4.534 4.444 4.586 0.086 16 0 "[ . 1 . 2]" 2
73 1 23 GLU HA 1 26 LEU H 5.500 . 5.500 3.645 3.485 3.748 . 0 0 "[ . 1 . 2]" 2
74 1 24 PHE H 1 25 PHE H 4.500 . 4.500 2.955 2.843 3.022 . 0 0 "[ . 1 . 2]" 2
75 1 24 PHE H 1 24 PHE HB2 4.000 . 4.000 2.924 2.651 3.079 . 0 0 "[ . 1 . 2]" 2
76 1 24 PHE H 1 24 PHE HB3 4.000 . 4.000 3.248 2.137 3.553 . 0 0 "[ . 1 . 2]" 2
77 1 24 PHE HA 1 25 PHE H 5.000 . 5.000 3.604 3.581 3.622 . 0 0 "[ . 1 . 2]" 2
78 1 25 PHE H 1 26 LEU H 4.000 . 4.000 2.713 2.527 2.838 . 0 0 "[ . 1 . 2]" 2
79 1 24 PHE HB2 1 25 PHE H 4.500 . 4.500 2.736 2.306 4.103 . 0 0 "[ . 1 . 2]" 2
80 1 24 PHE HB3 1 25 PHE H 4.500 . 4.500 3.588 2.678 3.832 . 0 0 "[ . 1 . 2]" 2
81 1 26 LEU H 1 26 LEU HB2 4.000 . 4.000 3.224 2.473 3.631 . 0 0 "[ . 1 . 2]" 2
82 1 26 LEU H 1 26 LEU HB3 4.000 . 4.000 2.753 2.236 3.286 . 0 0 "[ . 1 . 2]" 2
83 1 26 LEU H 1 27 ARG H 3.500 . 3.500 2.508 2.438 2.726 . 0 0 "[ . 1 . 2]" 2
84 1 26 LEU HA 1 27 ARG H 4.500 . 4.500 3.456 3.409 3.506 . 0 0 "[ . 1 . 2]" 2
85 1 27 ARG H 1 29 LYS H 4.500 . 4.500 4.195 4.092 4.291 . 0 0 "[ . 1 . 2]" 2
86 1 26 LEU H 1 28 GLU H 5.000 . 5.000 4.209 3.956 4.357 . 0 0 "[ . 1 . 2]" 2
87 1 28 GLU H 1 31 LYS H 5.500 . 5.500 5.218 5.140 5.291 . 0 0 "[ . 1 . 2]" 2
88 1 28 GLU H 1 29 LYS H 4.000 . 4.000 2.649 2.581 2.718 . 0 0 "[ . 1 . 2]" 2
89 1 27 ARG HA 1 28 GLU H 4.500 . 4.500 3.561 3.543 3.577 . 0 0 "[ . 1 . 2]" 2
90 1 26 LEU H 1 29 LYS H 5.500 . 5.500 4.587 4.377 4.768 . 0 0 "[ . 1 . 2]" 2
91 1 28 GLU HA 1 29 LYS H 4.500 . 4.500 3.631 3.602 3.670 . 0 0 "[ . 1 . 2]" 2
92 1 29 LYS H 1 30 ASP H 4.000 . 4.000 2.735 2.619 2.778 . 0 0 "[ . 1 . 2]" 2
93 1 29 LYS H 1 31 LYS H 5.500 . 5.500 4.240 3.955 4.343 . 0 0 "[ . 1 . 2]" 2
94 1 29 LYS HA 1 32 MET H 4.500 . 4.500 3.246 2.662 3.447 . 0 0 "[ . 1 . 2]" 2
95 1 29 LYS HA 1 31 LYS H 5.000 . 5.000 3.822 3.383 4.030 . 0 0 "[ . 1 . 2]" 2
96 1 29 LYS HB3 1 31 LYS H 5.500 . 5.500 5.126 4.773 5.329 . 0 0 "[ . 1 . 2]" 2
97 1 30 ASP H 1 31 LYS H 4.500 . 4.500 2.695 2.555 2.864 . 0 0 "[ . 1 . 2]" 2
98 1 30 ASP H 1 32 MET H 5.500 . 5.500 4.297 4.097 4.481 . 0 0 "[ . 1 . 2]" 2
99 1 31 LYS H 1 32 MET H 3.500 . 3.500 2.429 2.267 2.498 . 0 0 "[ . 1 . 2]" 2
100 1 30 ASP HB2 1 31 LYS H 4.500 . 4.500 3.793 3.047 4.182 . 0 0 "[ . 1 . 2]" 2
101 1 30 ASP HB3 1 31 LYS H 4.500 . 4.500 3.346 2.967 4.059 . 0 0 "[ . 1 . 2]" 2
102 1 32 MET H 1 33 LYS H 4.500 . 4.500 4.502 4.441 4.537 0.037 20 0 "[ . 1 . 2]" 2
103 1 33 LYS H 1 34 MET H 4.500 . 4.500 4.431 4.255 4.518 0.018 16 0 "[ . 1 . 2]" 2
104 1 34 MET H 1 35 ALA H 5.500 . 5.500 4.592 4.534 4.662 . 0 0 "[ . 1 . 2]" 2
105 1 34 MET HB2 1 149 GLN H 5.500 . 5.500 4.840 4.356 5.565 0.065 8 0 "[ . 1 . 2]" 2
106 1 16 VAL HA 1 34 MET HB2 5.500 . 5.500 3.862 2.779 4.473 . 0 0 "[ . 1 . 2]" 2
107 1 34 MET HB3 1 149 GLN H 5.500 . 5.500 4.985 3.948 5.516 0.016 15 0 "[ . 1 . 2]" 2
108 1 34 MET HG3 1 35 ALA H 5.000 . 5.000 3.020 2.557 3.668 . 0 0 "[ . 1 . 2]" 2
109 1 34 MET HG2 1 35 ALA H 4.500 . 4.500 3.247 2.100 4.223 . 0 0 "[ . 1 . 2]" 2
110 1 34 MET HA 1 35 ALA H 2.500 . 2.500 2.219 2.141 2.304 . 0 0 "[ . 1 . 2]" 2
111 1 15 VAL H 1 35 ALA H 5.500 . 5.500 3.552 3.074 4.092 . 0 0 "[ . 1 . 2]" 2
112 1 35 ALA H 1 36 MET H 5.000 . 5.000 4.510 4.475 4.529 . 0 0 "[ . 1 . 2]" 2
113 1 35 ALA HA 1 36 MET H . . 2.500 2.413 2.345 2.446 . 0 0 "[ . 1 . 2]" 2
114 1 36 MET H 1 52 ALA H 5.500 . 5.500 3.224 2.874 3.712 . 0 0 "[ . 1 . 2]" 2
115 1 36 MET HA 1 37 ALA H 2.500 . 2.500 2.365 2.329 2.414 . 0 0 "[ . 1 . 2]" 2
116 1 37 ALA H 1 38 ARG H 5.500 . 5.500 4.394 4.364 4.424 . 0 0 "[ . 1 . 2]" 2
117 1 13 TRP H 1 37 ALA H 5.500 . 5.500 2.689 2.183 3.157 . 0 0 "[ . 1 . 2]" 2
118 1 12 LYS HA 1 37 ALA HA 6.500 . 6.500 5.356 4.963 5.763 . 0 0 "[ . 1 . 2]" 2
119 1 38 ARG H 1 39 ILE H 5.000 . 5.000 4.382 4.333 4.440 . 0 0 "[ . 1 . 2]" 2
120 1 38 ARG H 1 50 SER H 4.000 . 4.000 2.580 2.365 2.960 . 0 0 "[ . 1 . 2]" 2
121 1 37 ALA HA 1 38 ARG H 2.500 . 2.500 2.369 2.341 2.391 . 0 0 "[ . 1 . 2]" 2
122 1 38 ARG H 1 49 VAL HA 5.000 . 5.000 4.306 4.121 4.698 . 0 0 "[ . 1 . 2]" 2
123 1 38 ARG H 1 50 SER HB2 5.000 . 5.000 3.135 2.402 3.693 . 0 0 "[ . 1 . 2]" 2
124 1 38 ARG H 1 50 SER HB3 4.500 . 4.500 2.626 1.832 3.781 . 0 0 "[ . 1 . 2]" 2
125 1 38 ARG H 1 51 TYR HA 4.500 . 4.500 4.510 4.476 4.533 0.033 6 0 "[ . 1 . 2]" 2
126 1 38 ARG H 1 38 ARG HB3 4.000 . 4.000 3.100 2.531 3.879 . 0 0 "[ . 1 . 2]" 2
127 1 12 LYS HA 1 38 ARG HB2 5.500 . 5.500 3.980 3.450 5.119 . 0 0 "[ . 1 . 2]" 2
128 1 12 LYS HA 1 38 ARG HB3 5.500 . 5.500 4.254 2.849 5.276 . 0 0 "[ . 1 . 2]" 2
129 1 38 ARG HB2 1 50 SER HB2 5.500 . 5.500 4.338 2.804 5.428 . 0 0 "[ . 1 . 2]" 2
130 1 38 ARG HB2 1 50 SER HB3 5.500 . 5.500 4.409 2.400 5.503 0.003 15 0 "[ . 1 . 2]" 2
131 1 39 ILE H 1 40 SER H 5.500 . 5.500 4.426 4.410 4.448 . 0 0 "[ . 1 . 2]" 2
132 1 38 ARG HA 1 39 ILE H 2.500 . 2.500 2.271 2.221 2.334 . 0 0 "[ . 1 . 2]" 2
133 1 13 TRP H 1 39 ILE H 5.500 . 5.500 4.733 4.324 5.183 . 0 0 "[ . 1 . 2]" 2
134 1 39 ILE HG12 1 40 SER H 4.500 . 4.500 2.998 2.723 3.210 . 0 0 "[ . 1 . 2]" 2
135 1 40 SER H 1 48 LYS H 4.500 . 4.500 2.866 2.605 3.252 . 0 0 "[ . 1 . 2]" 2
136 1 39 ILE HA 1 40 SER H 2.500 . 2.500 2.262 2.204 2.294 . 0 0 "[ . 1 . 2]" 2
137 1 39 ILE HB 1 40 SER H 4.500 . 4.500 4.180 4.122 4.232 . 0 0 "[ . 1 . 2]" 2
138 1 40 SER HA 1 41 PHE H 2.500 . 2.500 2.306 2.226 2.392 . 0 0 "[ . 1 . 2]" 2
139 1 41 PHE H 1 41 PHE HB2 4.000 . 4.000 2.356 2.144 2.661 . 0 0 "[ . 1 . 2]" 2
140 1 41 PHE H 1 41 PHE HB3 4.000 . 4.000 3.556 3.388 3.662 . 0 0 "[ . 1 . 2]" 2
141 1 41 PHE HB2 1 42 LEU H 4.500 . 4.500 4.504 4.398 4.551 0.051 16 0 "[ . 1 . 2]" 2
142 1 41 PHE HB3 1 42 LEU H 4.500 . 4.500 3.982 3.761 4.065 . 0 0 "[ . 1 . 2]" 2
143 1 41 PHE HA 1 42 LEU H 2.500 . 2.500 2.209 2.051 2.292 . 0 0 "[ . 1 . 2]" 2
144 1 42 LEU H 1 46 GLU H 5.500 . 5.500 4.983 4.908 5.055 . 0 0 "[ . 1 . 2]" 2
145 1 42 LEU H 1 47 LEU HA 4.500 . 4.500 1.985 1.747 2.309 . 0 0 "[ . 1 . 2]" 2
146 1 42 LEU H 1 43 GLY H 3.500 . 3.500 2.386 2.054 2.561 . 0 0 "[ . 1 . 2]" 2
147 1 42 LEU H 1 48 LYS H 5.500 . 5.500 3.120 3.025 3.233 . 0 0 "[ . 1 . 2]" 2
148 1 42 LEU H 1 42 LEU HB3 4.000 . 4.000 3.618 3.594 3.637 . 0 0 "[ . 1 . 2]" 2
149 1 42 LEU HB2 1 43 GLY H 3.500 . 3.500 2.540 2.320 2.729 . 0 0 "[ . 1 . 2]" 2
150 1 42 LEU HB3 1 43 GLY H 3.500 . 3.500 3.523 3.510 3.539 0.039 16 0 "[ . 1 . 2]" 2
151 1 42 LEU HA 1 43 GLY H 4.000 . 4.000 3.464 3.427 3.501 . 0 0 "[ . 1 . 2]" 2
152 1 43 GLY H 1 46 GLU H 5.500 . 5.500 3.148 2.879 3.443 . 0 0 "[ . 1 . 2]" 2
153 1 43 GLY H 1 44 GLU H 5.500 . 5.500 4.276 4.187 4.351 . 0 0 "[ . 1 . 2]" 2
154 1 41 PHE HB2 1 43 GLY H 5.500 . 5.500 5.066 4.807 5.422 . 0 0 "[ . 1 . 2]" 2
155 1 41 PHE HB3 1 43 GLY H 5.500 . 5.500 3.845 3.617 4.106 . 0 0 "[ . 1 . 2]" 2
156 1 44 GLU H 1 45 ASP H 3.500 . 3.500 2.754 2.565 2.793 . 0 0 "[ . 1 . 2]" 2
157 1 44 GLU H 1 46 GLU H 4.500 . 4.500 3.990 3.878 4.062 . 0 0 "[ . 1 . 2]" 2
158 1 45 ASP H 1 46 GLU H 3.500 . 3.500 2.359 2.168 2.495 . 0 0 "[ . 1 . 2]" 2
159 1 44 GLU HA 1 45 ASP H 4.000 . 4.000 3.484 3.448 3.516 . 0 0 "[ . 1 . 2]" 2
160 1 45 ASP H 1 45 ASP HB2 4.000 . 4.000 3.099 2.549 3.685 . 0 0 "[ . 1 . 2]" 2
161 1 45 ASP H 1 45 ASP HB3 4.000 . 4.000 3.538 3.140 3.805 . 0 0 "[ . 1 . 2]" 2
162 1 45 ASP HB3 1 68 LYS H 4.500 . 4.500 4.188 3.150 4.518 0.018 3 0 "[ . 1 . 2]" 2
163 1 45 ASP HB2 1 68 LYS H 4.500 . 4.500 4.171 2.935 4.516 0.016 6 0 "[ . 1 . 2]" 2
164 1 45 ASP HA 1 46 GLU H 3.500 . 3.500 3.143 3.073 3.425 . 0 0 "[ . 1 . 2]" 2
165 1 46 GLU H 1 47 LEU H 4.500 . 4.500 4.115 4.039 4.318 . 0 0 "[ . 1 . 2]" 2
166 1 46 GLU HA 1 47 LEU H . . 2.500 2.159 2.136 2.213 . 0 0 "[ . 1 . 2]" 2
167 1 46 GLU HA 1 68 LYS H 5.500 . 5.500 3.708 3.380 4.132 . 0 0 "[ . 1 . 2]" 2
168 1 47 LEU H 1 66 PHE H 4.500 . 4.500 3.387 2.904 3.673 . 0 0 "[ . 1 . 2]" 2
169 1 47 LEU H 1 47 LEU HG 4.130 . 4.130 2.576 2.292 4.085 . 0 0 "[ . 1 . 2]" 2
170 1 47 LEU H 1 66 PHE HB2 5.500 . 5.500 3.782 2.273 5.072 . 0 0 "[ . 1 . 2]" 2
171 1 47 LEU H 1 66 PHE HB3 5.500 . 5.500 3.921 3.228 4.687 . 0 0 "[ . 1 . 2]" 2
172 1 41 PHE HA 1 47 LEU HB3 5.500 . 5.500 3.242 2.441 4.921 . 0 0 "[ . 1 . 2]" 2
173 1 41 PHE HA 1 47 LEU HB2 5.500 . 5.500 4.471 3.194 5.089 . 0 0 "[ . 1 . 2]" 2
174 1 47 LEU HB3 1 48 LYS H 3.680 . 3.680 3.206 2.882 3.710 0.030 1 0 "[ . 1 . 2]" 2
175 1 47 LEU HA 1 48 LYS H 2.500 . 2.500 2.240 2.192 2.273 . 0 0 "[ . 1 . 2]" 2
176 1 41 PHE HA 1 48 LYS H 4.500 . 4.500 3.884 3.666 4.055 . 0 0 "[ . 1 . 2]" 2
177 1 48 LYS H 1 48 LYS HB2 4.000 . 4.000 2.663 2.582 2.769 . 0 0 "[ . 1 . 2]" 2
178 1 48 LYS H 1 48 LYS HB3 3.500 . 3.500 2.763 2.675 2.864 . 0 0 "[ . 1 . 2]" 2
179 1 40 SER HB2 1 48 LYS HB2 5.500 . 5.500 4.714 3.745 5.502 0.002 19 0 "[ . 1 . 2]" 2
180 1 40 SER HB3 1 48 LYS HB2 5.500 . 5.500 4.839 3.882 5.501 0.001 5 0 "[ . 1 . 2]" 2
181 1 40 SER HB2 1 48 LYS HB3 5.500 . 5.500 3.671 2.830 4.428 . 0 0 "[ . 1 . 2]" 2
182 1 40 SER HB3 1 48 LYS HB3 5.500 . 5.500 3.690 2.574 4.793 . 0 0 "[ . 1 . 2]" 2
183 1 49 VAL H 1 66 PHE H 4.500 . 4.500 3.663 3.111 4.242 . 0 0 "[ . 1 . 2]" 2
184 1 48 LYS HA 1 49 VAL H 2.500 . 2.500 2.197 2.179 2.214 . 0 0 "[ . 1 . 2]" 2
185 1 49 VAL H 1 50 SER H 4.500 . 4.500 4.358 4.315 4.386 . 0 0 "[ . 1 . 2]" 2
186 1 49 VAL H 1 65 THR HA 4.500 . 4.500 3.015 2.764 3.358 . 0 0 "[ . 1 . 2]" 2
187 1 49 VAL HA 1 50 SER H 2.500 . 2.500 2.078 2.059 2.098 . 0 0 "[ . 1 . 2]" 2
188 1 50 SER H 1 50 SER HB2 4.000 . 4.000 2.675 2.439 2.839 . 0 0 "[ . 1 . 2]" 2
189 1 50 SER H 1 50 SER HB3 4.000 . 4.000 2.971 2.557 3.699 . 0 0 "[ . 1 . 2]" 2
190 1 49 VAL HB 1 50 SER H 5.500 . 5.500 4.199 4.088 4.274 . 0 0 "[ . 1 . 2]" 2
191 1 50 SER HB2 1 51 TYR H 5.000 . 5.000 4.086 4.008 4.203 . 0 0 "[ . 1 . 2]" 2
192 1 38 ARG HB3 1 50 SER HB2 5.500 . 5.500 3.894 2.535 5.392 . 0 0 "[ . 1 . 2]" 2
193 1 50 SER HB2 1 63 GLU HB2 5.500 . 5.500 4.627 4.126 5.501 0.001 18 0 "[ . 1 . 2]" 2
194 1 50 SER HB2 1 63 GLU HA 5.500 . 5.500 3.840 3.197 4.454 . 0 0 "[ . 1 . 2]" 2
195 1 50 SER HB3 1 51 TYR H 5.000 . 5.000 3.470 2.806 3.909 . 0 0 "[ . 1 . 2]" 2
196 1 38 ARG HB3 1 50 SER HB3 5.500 . 5.500 3.870 2.309 4.305 . 0 0 "[ . 1 . 2]" 2
197 1 50 SER HB3 1 63 GLU HB2 5.500 . 5.500 5.178 4.364 5.505 0.005 10 0 "[ . 1 . 2]" 2
198 1 50 SER HB3 1 63 GLU HA 5.500 . 5.500 4.154 3.256 5.128 . 0 0 "[ . 1 . 2]" 2
199 1 51 TYR H 1 62 TRP H 5.500 . 5.500 3.708 3.419 3.942 . 0 0 "[ . 1 . 2]" 2
200 1 50 SER HA 1 51 TYR H 2.500 . 2.500 2.251 2.233 2.265 . 0 0 "[ . 1 . 2]" 2
201 1 51 TYR H 1 63 GLU HA 5.500 . 5.500 3.264 3.032 3.647 . 0 0 "[ . 1 . 2]" 2
202 1 51 TYR HA 1 52 ALA H 2.500 . 2.500 2.191 2.154 2.222 . 0 0 "[ . 1 . 2]" 2
203 1 37 ALA HA 1 52 ALA H 4.500 . 4.500 3.357 3.081 3.549 . 0 0 "[ . 1 . 2]" 2
204 1 52 ALA HA 1 61 LYS HA 5.500 . 5.500 2.794 2.604 2.995 . 0 0 "[ . 1 . 2]" 2
205 1 52 ALA HA 1 53 VAL H 2.500 . 2.500 2.177 2.127 2.222 . 0 0 "[ . 1 . 2]" 2
206 1 54 PRO HA 1 55 LYS H 3.500 . 3.500 2.289 2.175 2.762 . 0 0 "[ . 1 . 2]" 2
207 1 35 ALA HA 1 54 PRO HD2 5.500 . 5.500 3.194 2.705 3.663 . 0 0 "[ . 1 . 2]" 2
208 1 35 ALA HA 1 54 PRO HD3 5.500 . 5.500 2.330 2.262 2.571 . 0 0 "[ . 1 . 2]" 2
209 1 55 LYS H 1 56 PRO HD2 5.500 . 5.500 4.509 3.972 5.027 . 0 0 "[ . 1 . 2]" 2
210 1 55 LYS H 1 60 ARG H 4.500 . 4.500 3.925 3.103 4.506 0.006 4 0 "[ . 1 . 2]" 2
211 1 55 LYS H 1 58 GLY H 4.500 . 4.500 4.398 3.956 4.522 0.022 9 0 "[ . 1 . 2]" 2
212 1 57 ASN H 1 58 GLY H 3.500 . 3.500 2.502 2.152 2.702 . 0 0 "[ . 1 . 2]" 2
213 1 56 PRO HA 1 57 ASN H 4.500 . 4.500 3.486 3.423 3.534 . 0 0 "[ . 1 . 2]" 2
214 1 55 LYS HA 1 58 GLY H 5.500 . 5.500 4.508 3.981 4.820 . 0 0 "[ . 1 . 2]" 2
215 1 57 ASN HA 1 58 GLY H 3.500 . 3.500 3.254 3.023 3.486 . 0 0 "[ . 1 . 2]" 2
216 1 60 ARG H 1 61 LYS H 4.500 . 4.500 4.201 4.092 4.368 . 0 0 "[ . 1 . 2]" 2
217 1 59 CYS HA 1 60 ARG H 2.500 . 2.500 2.233 2.146 2.292 . 0 0 "[ . 1 . 2]" 2
218 1 60 ARG HA 1 61 LYS H 2.500 . 2.500 2.139 2.124 2.152 . 0 0 "[ . 1 . 2]" 2
219 1 61 LYS H 1 61 LYS HB3 3.500 . 3.500 3.133 2.666 3.415 . 0 0 "[ . 1 . 2]" 2
220 1 61 LYS H 1 62 TRP H 5.500 . 5.500 4.314 4.295 4.327 . 0 0 "[ . 1 . 2]" 2
221 1 61 LYS HB2 1 62 TRP H 4.000 . 4.000 3.393 3.214 4.030 0.030 14 0 "[ . 1 . 2]" 2
222 1 61 LYS HB3 1 62 TRP H 4.500 . 4.500 4.189 4.043 4.265 . 0 0 "[ . 1 . 2]" 2
223 1 61 LYS HA 1 62 TRP H 2.500 . 2.500 2.172 2.112 2.195 . 0 0 "[ . 1 . 2]" 2
224 1 62 TRP HD1 1 63 GLU H 5.500 . 5.500 4.095 3.173 4.596 . 0 0 "[ . 1 . 2]" 2
225 1 62 TRP HA 1 63 GLU H 2.500 . 2.500 2.501 2.423 2.529 0.029 19 0 "[ . 1 . 2]" 2
226 1 63 GLU H 1 63 GLU HB2 4.000 . 4.000 2.987 2.888 3.153 . 0 0 "[ . 1 . 2]" 2
227 1 62 TRP H 1 63 GLU H 4.500 . 4.500 4.385 4.364 4.424 . 0 0 "[ . 1 . 2]" 2
228 1 63 GLU H 1 64 THR H 4.500 . 4.500 4.490 4.424 4.510 0.010 19 0 "[ . 1 . 2]" 2
229 1 64 THR H 1 65 THR H 4.500 . 4.500 4.328 4.301 4.387 . 0 0 "[ . 1 . 2]" 2
230 1 63 GLU HA 1 64 THR H 2.500 . 2.500 2.340 2.226 2.396 . 0 0 "[ . 1 . 2]" 2
231 1 50 SER HA 1 64 THR H 5.500 . 5.500 2.909 2.713 3.209 . 0 0 "[ . 1 . 2]" 2
232 1 64 THR H 1 64 THR HB 4.000 . 4.000 3.013 2.881 3.181 . 0 0 "[ . 1 . 2]" 2
233 1 64 THR HA 1 65 THR H 2.500 . 2.500 2.226 2.199 2.245 . 0 0 "[ . 1 . 2]" 2
234 1 65 THR H 1 65 THR HB 4.000 . 4.000 2.566 2.466 2.657 . 0 0 "[ . 1 . 2]" 2
235 1 65 THR H 1 66 PHE H 5.000 . 5.000 4.496 4.458 4.550 . 0 0 "[ . 1 . 2]" 2
236 1 65 THR HB 1 66 PHE H 4.500 . 4.500 4.065 3.914 4.208 . 0 0 "[ . 1 . 2]" 2
237 1 65 THR HA 1 66 PHE H 2.500 . 2.500 2.206 2.169 2.265 . 0 0 "[ . 1 . 2]" 2
238 1 48 LYS HA 1 66 PHE H 5.500 . 5.500 2.926 2.595 3.387 . 0 0 "[ . 1 . 2]" 2
239 1 66 PHE HB2 1 67 LYS H 4.500 . 4.500 4.242 3.761 4.439 . 0 0 "[ . 1 . 2]" 2
240 1 66 PHE HB3 1 67 LYS H 4.500 . 4.500 3.603 3.218 4.454 . 0 0 "[ . 1 . 2]" 2
241 1 67 LYS H 1 67 LYS HB3 4.000 . 4.000 3.737 3.707 3.779 . 0 0 "[ . 1 . 2]" 2
242 1 67 LYS H 1 77 TYR H 4.000 . 4.000 3.195 2.662 3.605 . 0 0 "[ . 1 . 2]" 2
243 1 66 PHE HA 1 67 LYS H 2.500 . 2.500 2.204 2.160 2.235 . 0 0 "[ . 1 . 2]" 2
244 1 67 LYS HB2 1 68 LYS H 4.500 . 4.500 3.879 3.624 4.022 . 0 0 "[ . 1 . 2]" 2
245 1 67 LYS HA 1 68 LYS H 2.500 . 2.500 2.238 2.215 2.267 . 0 0 "[ . 1 . 2]" 2
246 1 68 LYS H 1 77 TYR H 5.500 . 5.500 5.080 4.752 5.347 . 0 0 "[ . 1 . 2]" 2
247 1 69 THR H 1 69 THR HB 3.500 . 3.500 3.328 3.117 3.587 0.087 19 0 "[ . 1 . 2]" 2
248 1 69 THR H 1 70 SER H 5.500 . 5.500 4.190 3.694 4.456 . 0 0 "[ . 1 . 2]" 2
249 1 69 THR H 1 77 TYR H 5.500 . 5.500 4.386 4.113 4.757 . 0 0 "[ . 1 . 2]" 2
250 1 68 LYS HB2 1 69 THR H 5.500 . 5.500 4.409 4.296 4.609 . 0 0 "[ . 1 . 2]" 2
251 1 68 LYS HB3 1 69 THR H 5.500 . 5.500 4.156 3.951 4.371 . 0 0 "[ . 1 . 2]" 2
252 1 69 THR HA 1 70 SER H . . 2.500 2.460 2.386 2.510 0.010 14 0 "[ . 1 . 2]" 2
253 1 70 SER H 1 71 ASP H 4.500 . 4.500 2.296 1.588 3.539 . 0 0 "[ . 1 . 2]" 2
254 1 70 SER H 1 70 SER HB3 4.030 . 4.030 2.894 2.307 4.017 . 0 0 "[ . 1 . 2]" 2
255 1 70 SER H 1 70 SER HB2 4.100 . 4.100 3.234 2.482 4.016 . 0 0 "[ . 1 . 2]" 2
256 1 70 SER HA 1 71 ASP H 3.180 . 3.180 3.080 2.613 3.224 0.044 9 0 "[ . 1 . 2]" 2
257 1 70 SER HB3 1 71 ASP H 4.990 . 4.990 4.087 3.545 4.662 . 0 0 "[ . 1 . 2]" 2
258 1 71 ASP H 1 72 ASP H 4.500 . 4.500 3.343 3.314 3.370 . 0 0 "[ . 1 . 2]" 2
259 1 71 ASP H 1 71 ASP HB2 3.500 . 3.500 2.368 2.238 2.598 . 0 0 "[ . 1 . 2]" 2
260 1 71 ASP H 1 71 ASP HB3 3.500 . 3.500 3.076 2.451 3.525 0.025 1 0 "[ . 1 . 2]" 2
261 1 71 ASP HB3 1 72 ASP H 3.500 . 3.500 2.295 1.806 2.515 . 0 0 "[ . 1 . 2]" 2
262 1 72 ASP H 1 74 GLU HA 5.500 . 5.500 5.351 5.184 5.547 0.047 15 0 "[ . 1 . 2]" 2
263 1 71 ASP HA 1 72 ASP H 4.000 . 4.000 3.557 3.508 3.607 . 0 0 "[ . 1 . 2]" 2
264 1 72 ASP H 1 73 GLY H 4.500 . 4.500 3.415 2.828 3.796 . 0 0 "[ . 1 . 2]" 2
265 1 72 ASP HB2 1 73 GLY H 4.500 . 4.500 4.506 4.431 4.525 0.025 6 0 "[ . 1 . 2]" 2
266 1 72 ASP HB3 1 73 GLY H 4.500 . 4.500 4.374 4.204 4.503 0.003 4 0 "[ . 1 . 2]" 2
267 1 72 ASP HA 1 73 GLY H 2.500 . 2.500 2.315 2.180 2.505 0.005 3 0 "[ . 1 . 2]" 2
268 1 73 GLY H 1 74 GLU H 4.500 . 4.500 4.235 4.146 4.334 . 0 0 "[ . 1 . 2]" 2
269 1 73 GLY HA3 1 75 VAL H 5.500 . 5.500 5.342 5.165 5.475 . 0 0 "[ . 1 . 2]" 2
270 1 74 GLU H 1 75 VAL H 4.500 . 4.500 3.831 3.781 3.871 . 0 0 "[ . 1 . 2]" 2
271 1 72 ASP HA 1 74 GLU H 5.500 . 5.500 5.421 5.227 5.533 0.033 11 0 "[ . 1 . 2]" 2
272 1 73 GLY HA2 1 74 GLU H 4.000 . 4.000 3.446 3.385 3.508 . 0 0 "[ . 1 . 2]" 2
273 1 73 GLY HA3 1 74 GLU H 4.000 . 4.000 2.216 2.166 2.274 . 0 0 "[ . 1 . 2]" 2
274 1 75 VAL H 1 76 TYR H 5.000 . 5.000 4.396 4.358 4.432 . 0 0 "[ . 1 . 2]" 2
275 1 74 GLU HA 1 75 VAL H 2.500 . 2.500 2.310 2.283 2.337 . 0 0 "[ . 1 . 2]" 2
276 1 76 TYR H 1 87 VAL H 5.000 . 5.000 5.033 5.004 5.070 0.070 17 0 "[ . 1 . 2]" 2
277 1 75 VAL HA 1 76 TYR H 2.500 . 2.500 2.273 2.245 2.307 . 0 0 "[ . 1 . 2]" 2
278 1 76 TYR H 1 86 GLU HB3 5.500 . 5.500 4.947 3.910 5.513 0.013 13 0 "[ . 1 . 2]" 2
279 1 67 LYS H 1 76 TYR HA 5.500 . 5.500 5.066 4.638 5.526 0.026 11 0 "[ . 1 . 2]" 2
280 1 69 THR H 1 76 TYR HA 5.500 . 5.500 3.782 2.749 4.673 . 0 0 "[ . 1 . 2]" 2
281 1 76 TYR HB2 1 77 TYR H 4.500 . 4.500 3.701 3.595 3.875 . 0 0 "[ . 1 . 2]" 2
282 1 76 TYR HA 1 77 TYR H 2.500 . 2.500 2.303 2.251 2.351 . 0 0 "[ . 1 . 2]" 2
283 1 77 TYR H 1 78 SER H 4.500 . 4.500 4.288 4.236 4.330 . 0 0 "[ . 1 . 2]" 2
284 1 69 THR HB 1 77 TYR H 5.500 . 5.500 4.577 4.000 5.408 . 0 0 "[ . 1 . 2]" 2
285 1 77 TYR HA 1 78 SER H 3.500 . 3.500 2.179 2.124 2.217 . 0 0 "[ . 1 . 2]" 2
286 1 78 SER HA 1 79 GLU HB2 4.500 . 4.500 4.494 4.439 4.511 0.011 2 0 "[ . 1 . 2]" 2
287 1 79 GLU H 1 81 ALA H 5.500 . 5.500 4.363 4.253 4.450 . 0 0 "[ . 1 . 2]" 2
288 1 78 SER HA 1 79 GLU H 2.500 . 2.500 2.166 2.145 2.188 . 0 0 "[ . 1 . 2]" 2
289 1 79 GLU H 1 79 GLU HB3 3.500 . 3.500 2.782 2.660 3.542 0.042 14 0 "[ . 1 . 2]" 2
290 1 80 GLU H 1 81 ALA H 3.500 . 3.500 2.615 2.512 2.757 . 0 0 "[ . 1 . 2]" 2
291 1 80 GLU H 1 82 LYS H 4.500 . 4.500 3.921 3.796 4.028 . 0 0 "[ . 1 . 2]" 2
292 1 81 ALA H 1 82 LYS H 4.000 . 4.000 2.500 2.179 2.632 . 0 0 "[ . 1 . 2]" 2
293 1 82 LYS H 1 83 LYS H 3.500 . 3.500 3.132 2.768 3.199 . 0 0 "[ . 1 . 2]" 2
294 1 82 LYS HA 1 83 LYS H 2.500 . 2.500 2.523 2.502 2.544 0.044 19 0 "[ . 1 . 2]" 2
295 1 83 LYS H 1 84 LYS H 5.000 . 5.000 4.201 4.166 4.236 . 0 0 "[ . 1 . 2]" 2
296 1 78 SER H 1 83 LYS H 4.500 . 4.500 2.901 2.747 3.031 . 0 0 "[ . 1 . 2]" 2
297 1 83 LYS HA 1 84 LYS H 2.500 . 2.500 2.150 2.136 2.165 . 0 0 "[ . 1 . 2]" 2
298 1 84 LYS H 1 102 ARG HA 5.500 . 5.500 3.599 3.229 4.041 . 0 0 "[ . 1 . 2]" 2
299 1 77 TYR HA 1 84 LYS HA 5.500 . 5.500 2.494 2.170 2.862 . 0 0 "[ . 1 . 2]" 2
300 1 76 TYR H 1 85 VAL H 5.500 . 5.500 3.205 2.824 3.520 . 0 0 "[ . 1 . 2]" 2
301 1 84 LYS HA 1 85 VAL H 2.500 . 2.500 2.187 2.147 2.221 . 0 0 "[ . 1 . 2]" 2
302 1 77 TYR HA 1 85 VAL H 5.500 . 5.500 3.935 3.437 4.435 . 0 0 "[ . 1 . 2]" 2
303 1 85 VAL HB 1 86 GLU H 4.500 . 4.500 3.302 3.192 3.435 . 0 0 "[ . 1 . 2]" 2
304 1 84 LYS HA 1 85 VAL HB 5.500 . 5.500 5.547 5.524 5.562 0.062 12 0 "[ . 1 . 2]" 2
305 1 85 VAL H 1 86 GLU H 4.500 . 4.500 4.255 4.222 4.284 . 0 0 "[ . 1 . 2]" 2
306 1 85 VAL HA 1 86 GLU H 2.500 . 2.500 2.100 2.087 2.111 . 0 0 "[ . 1 . 2]" 2
307 1 86 GLU H 1 100 ALA HA 5.500 . 5.500 3.749 3.363 4.022 . 0 0 "[ . 1 . 2]" 2
308 1 86 GLU H 1 99 TYR H 4.500 . 4.500 3.391 3.220 3.657 . 0 0 "[ . 1 . 2]" 2
309 1 86 GLU H 1 86 GLU HB2 4.000 . 4.000 3.355 2.898 3.740 . 0 0 "[ . 1 . 2]" 2
310 1 75 VAL HA 1 86 GLU HA 5.500 . 5.500 2.698 2.465 2.975 . 0 0 "[ . 1 . 2]" 2
311 1 87 VAL H 1 88 LEU H 5.000 . 5.000 4.255 4.201 4.352 . 0 0 "[ . 1 . 2]" 2
312 1 86 GLU HA 1 87 VAL H 2.500 . 2.500 2.115 2.062 2.162 . 0 0 "[ . 1 . 2]" 2
313 1 75 VAL HA 1 87 VAL H 4.500 . 4.500 3.892 3.618 4.208 . 0 0 "[ . 1 . 2]" 2
314 1 87 VAL H 1 87 VAL HB 3.500 . 3.500 2.717 2.589 2.831 . 0 0 "[ . 1 . 2]" 2
315 1 87 VAL HA 1 88 LEU H 2.500 . 2.500 2.203 2.178 2.244 . 0 0 "[ . 1 . 2]" 2
316 1 88 LEU H 1 89 ASP H 3.500 . 3.500 2.294 2.097 2.631 . 0 0 "[ . 1 . 2]" 2
317 1 88 LEU H 1 89 ASP HB2 5.500 . 5.500 5.024 4.792 5.435 . 0 0 "[ . 1 . 2]" 2
318 1 88 LEU H 1 89 ASP HB3 5.500 . 5.500 5.359 5.204 5.520 0.020 20 0 "[ . 1 . 2]" 2
319 1 89 ASP H 1 90 THR H 4.500 . 4.500 3.931 3.765 4.281 . 0 0 "[ . 1 . 2]" 2
320 1 89 ASP H 1 98 ILE H 5.500 . 5.500 5.225 4.668 5.521 0.021 11 0 "[ . 1 . 2]" 2
321 1 89 ASP H 1 98 ILE HA 5.500 . 5.500 3.411 3.191 3.968 . 0 0 "[ . 1 . 2]" 2
322 1 88 LEU HA 1 89 ASP H 5.500 . 5.500 3.456 3.359 3.604 . 0 0 "[ . 1 . 2]" 2
323 1 87 VAL HA 1 89 ASP H 4.500 . 4.500 3.448 3.048 4.079 . 0 0 "[ . 1 . 2]" 2
324 1 89 ASP H 1 89 ASP HB2 4.000 . 4.000 3.208 2.974 3.317 . 0 0 "[ . 1 . 2]" 2
325 1 89 ASP H 1 89 ASP HB3 3.500 . 3.500 3.310 2.778 3.529 0.029 15 0 "[ . 1 . 2]" 2
326 1 89 ASP HB3 1 90 THR H 4.500 . 4.500 3.950 3.856 4.049 . 0 0 "[ . 1 . 2]" 2
327 1 89 ASP HA 1 90 THR H 2.500 . 2.500 2.187 2.168 2.209 . 0 0 "[ . 1 . 2]" 2
328 1 90 THR H 1 97 VAL H 5.500 . 5.500 4.467 4.258 4.753 . 0 0 "[ . 1 . 2]" 2
329 1 90 THR H 1 91 ASP H 4.500 . 4.500 4.147 4.104 4.190 . 0 0 "[ . 1 . 2]" 2
330 1 90 THR HA 1 91 ASP H 2.500 . 2.500 2.128 2.097 2.155 . 0 0 "[ . 1 . 2]" 2
331 1 91 ASP H 1 95 TYR H 4.800 . 4.800 3.963 3.674 4.353 . 0 0 "[ . 1 . 2]" 2
332 1 91 ASP H 1 92 TYR H 4.500 . 4.500 2.018 1.566 2.364 . 0 0 "[ . 1 . 2]" 2
333 1 91 ASP H 1 93 LYS H 4.500 . 4.500 4.035 3.783 4.224 . 0 0 "[ . 1 . 2]" 2
334 1 91 ASP H 1 94 SER H 5.500 . 5.500 4.658 4.479 4.883 . 0 0 "[ . 1 . 2]" 2
335 1 91 ASP H 1 96 ALA HA 4.500 . 4.500 2.828 2.638 3.135 . 0 0 "[ . 1 . 2]" 2
336 1 92 TYR H 1 95 TYR H 5.500 . 5.500 4.081 3.800 4.332 . 0 0 "[ . 1 . 2]" 2
337 1 92 TYR H 1 93 LYS H 4.500 . 4.500 2.793 2.735 2.847 . 0 0 "[ . 1 . 2]" 2
338 1 92 TYR H 1 94 SER H 5.500 . 5.500 3.932 3.722 4.054 . 0 0 "[ . 1 . 2]" 2
339 1 93 LYS H 1 95 TYR H 4.000 . 4.000 3.390 3.306 3.480 . 0 0 "[ . 1 . 2]" 2
340 1 93 LYS H 1 94 SER H 3.500 . 3.500 1.914 1.561 2.444 . 0 0 "[ . 1 . 2]" 2
341 1 92 TYR HA 1 93 LYS H 5.500 . 5.500 3.213 3.158 3.273 . 0 0 "[ . 1 . 2]" 2
342 1 94 SER HB2 1 95 TYR H 5.500 . 5.500 3.133 2.137 4.276 . 0 0 "[ . 1 . 2]" 2
343 1 94 SER HB3 1 95 TYR H . . 4.500 3.585 2.181 4.278 . 0 0 "[ . 1 . 2]" 2
344 1 95 TYR H 1 96 ALA H 5.500 . 5.500 4.378 4.350 4.393 . 0 0 "[ . 1 . 2]" 2
345 1 94 SER H 1 95 TYR H 3.500 . 3.500 2.049 1.572 2.423 . 0 0 "[ . 1 . 2]" 2
346 1 94 SER HA 1 95 TYR H 4.500 . 4.500 3.547 3.464 3.595 . 0 0 "[ . 1 . 2]" 2
347 1 95 TYR H 1 117 ARG HB3 5.500 . 5.500 5.443 5.194 5.510 0.010 6 0 "[ . 1 . 2]" 2
348 1 95 TYR HA 1 116 SER HA 5.500 . 5.500 2.630 2.359 2.891 . 0 0 "[ . 1 . 2]" 2
349 1 96 ALA H 1 115 TYR H 4.500 . 4.500 2.786 2.451 3.143 . 0 0 "[ . 1 . 2]" 2
350 1 96 ALA H 1 116 SER H 5.500 . 5.500 5.113 4.714 5.423 . 0 0 "[ . 1 . 2]" 2
351 1 96 ALA H 1 97 VAL H 5.500 . 5.500 4.301 4.244 4.340 . 0 0 "[ . 1 . 2]" 2
352 1 95 TYR HA 1 96 ALA H 2.500 . 2.500 2.397 2.369 2.428 . 0 0 "[ . 1 . 2]" 2
353 1 96 ALA H 1 116 SER HA 4.500 . 4.500 4.246 4.083 4.332 . 0 0 "[ . 1 . 2]" 2
354 1 95 TYR HB2 1 96 ALA H 5.500 . 5.500 2.450 2.274 2.593 . 0 0 "[ . 1 . 2]" 2
355 1 95 TYR HB3 1 96 ALA H 5.500 . 5.500 3.704 3.594 3.784 . 0 0 "[ . 1 . 2]" 2
356 1 96 ALA H 1 115 TYR HB2 5.500 . 5.500 3.851 2.312 5.483 . 0 0 "[ . 1 . 2]" 2
357 1 96 ALA H 1 115 TYR HB3 5.500 . 5.500 4.124 3.670 4.484 . 0 0 "[ . 1 . 2]" 2
358 1 97 VAL H 1 98 ILE H 4.500 . 4.500 4.324 4.201 4.407 . 0 0 "[ . 1 . 2]" 2
359 1 96 ALA HA 1 97 VAL H 2.500 . 2.500 2.193 2.170 2.216 . 0 0 "[ . 1 . 2]" 2
360 1 89 ASP H 1 97 VAL H 4.500 . 4.500 3.723 3.156 3.967 . 0 0 "[ . 1 . 2]" 2
361 1 89 ASP HA 1 97 VAL H 5.500 . 5.500 4.470 4.123 4.917 . 0 0 "[ . 1 . 2]" 2
362 1 89 ASP HB2 1 97 VAL H 5.500 . 5.500 4.051 3.530 4.853 . 0 0 "[ . 1 . 2]" 2
363 1 90 THR HA 1 97 VAL H 5.500 . 5.500 3.141 3.068 3.254 . 0 0 "[ . 1 . 2]" 2
364 1 90 THR HB 1 97 VAL H 4.500 . 4.500 4.542 4.521 4.569 0.069 15 0 "[ . 1 . 2]" 2
365 1 97 VAL H 1 97 VAL HB 4.000 . 4.000 2.835 2.636 2.921 . 0 0 "[ . 1 . 2]" 2
366 1 97 VAL HA 1 98 ILE H 2.500 . 2.500 2.205 2.164 2.276 . 0 0 "[ . 1 . 2]" 2
367 1 97 VAL HB 1 98 ILE H 5.500 . 5.500 4.127 4.009 4.280 . 0 0 "[ . 1 . 2]" 2
368 1 89 ASP H 1 99 TYR H 5.500 . 5.500 5.018 4.852 5.457 . 0 0 "[ . 1 . 2]" 2
369 1 88 LEU H 1 99 TYR H 4.500 . 4.500 3.036 2.681 3.307 . 0 0 "[ . 1 . 2]" 2
370 1 98 ILE HA 1 99 TYR H 2.500 . 2.500 2.211 2.186 2.225 . 0 0 "[ . 1 . 2]" 2
371 1 87 VAL HA 1 99 TYR H 4.500 . 4.500 4.168 3.593 4.502 0.002 10 0 "[ . 1 . 2]" 2
372 1 85 VAL HB 1 99 TYR H 5.500 . 5.500 5.030 4.874 5.290 . 0 0 "[ . 1 . 2]" 2
373 1 99 TYR HA 1 112 MET HA 5.500 . 5.500 3.098 2.921 3.328 . 0 0 "[ . 1 . 2]" 2
374 1 99 TYR HA 1 99 TYR HD1 4.000 . 4.000 2.846 2.582 3.810 . 0 0 "[ . 1 . 2]" 2
375 1 99 TYR HD1 1 100 ALA H 5.500 . 5.500 4.490 4.004 4.910 . 0 0 "[ . 1 . 2]" 2
376 1 99 TYR HB2 1 100 ALA H 5.500 . 5.500 4.503 4.398 4.566 . 0 0 "[ . 1 . 2]" 2
377 1 99 TYR HB3 1 100 ALA H 5.500 . 5.500 4.294 4.222 4.427 . 0 0 "[ . 1 . 2]" 2
378 1 100 ALA H 1 111 MET H 4.500 . 4.500 3.522 3.431 3.672 . 0 0 "[ . 1 . 2]" 2
379 1 99 TYR HA 1 100 ALA H 2.500 . 2.500 2.140 2.109 2.158 . 0 0 "[ . 1 . 2]" 2
380 1 100 ALA H 1 112 MET HA 5.500 . 5.500 3.168 2.892 3.340 . 0 0 "[ . 1 . 2]" 2
381 1 85 VAL HA 1 100 ALA HA 5.500 . 5.500 2.503 2.311 2.715 . 0 0 "[ . 1 . 2]" 2
382 1 100 ALA HA 1 101 THR H 2.500 . 2.500 2.179 2.152 2.203 . 0 0 "[ . 1 . 2]" 2
383 1 101 THR H 1 102 ARG H 5.500 . 5.500 4.250 4.212 4.290 . 0 0 "[ . 1 . 2]" 2
384 1 85 VAL HA 1 101 THR H 5.500 . 5.500 3.647 3.281 3.891 . 0 0 "[ . 1 . 2]" 2
385 1 86 GLU H 1 101 THR H 5.500 . 5.500 5.179 4.703 5.502 0.002 10 0 "[ . 1 . 2]" 2
386 1 101 THR HA 1 110 HIS HA 5.500 . 5.500 2.313 2.259 2.343 . 0 0 "[ . 1 . 2]" 2
387 1 101 THR HB 1 102 ARG H 5.000 . 5.000 3.977 3.222 4.193 . 0 0 "[ . 1 . 2]" 2
388 1 101 THR HA 1 102 ARG H 2.500 . 2.500 2.143 2.114 2.165 . 0 0 "[ . 1 . 2]" 2
389 1 102 ARG H 1 109 LEU H 4.500 . 4.500 3.629 3.585 3.765 . 0 0 "[ . 1 . 2]" 2
390 1 102 ARG H 1 110 HIS HA 4.000 . 4.000 3.702 3.523 3.784 . 0 0 "[ . 1 . 2]" 2
391 1 102 ARG H 1 109 LEU HA 5.500 . 5.500 4.861 4.604 5.375 . 0 0 "[ . 1 . 2]" 2
392 1 102 ARG H 1 108 THR HA 5.500 . 5.500 5.508 5.404 5.530 0.030 12 0 "[ . 1 . 2]" 2
393 1 102 ARG H 1 103 VAL H 5.500 . 5.500 4.390 4.353 4.421 . 0 0 "[ . 1 . 2]" 2
394 1 83 LYS HA 1 103 VAL H 5.500 . 5.500 3.705 3.353 4.008 . 0 0 "[ . 1 . 2]" 2
395 1 102 ARG HA 1 103 VAL H 2.500 . 2.500 2.254 2.211 2.279 . 0 0 "[ . 1 . 2]" 2
396 1 103 VAL H 1 103 VAL HB 3.500 . 3.500 3.039 2.987 3.097 . 0 0 "[ . 1 . 2]" 2
397 1 103 VAL HA 1 104 LYS H 2.500 . 2.500 2.134 2.116 2.144 . 0 0 "[ . 1 . 2]" 2
398 1 104 LYS H 1 106 GLY H 5.500 . 5.500 5.515 5.473 5.523 0.023 19 0 "[ . 1 . 2]" 2
399 1 106 GLY H 1 107 ARG H 4.500 . 4.500 2.689 2.648 2.779 . 0 0 "[ . 1 . 2]" 2
400 1 106 GLY HA2 1 107 ARG H 5.500 . 5.500 3.379 3.358 3.431 . 0 0 "[ . 1 . 2]" 2
401 1 106 GLY HA3 1 107 ARG H 5.500 . 5.500 3.266 3.183 3.299 . 0 0 "[ . 1 . 2]" 2
402 1 107 ARG H 1 108 THR H 4.500 . 4.500 4.409 4.392 4.423 . 0 0 "[ . 1 . 2]" 2
403 1 104 LYS H 1 107 ARG H 4.000 . 4.000 3.628 3.586 3.697 . 0 0 "[ . 1 . 2]" 2
404 1 108 THR H 1 109 LEU H 5.000 . 5.000 4.481 4.385 4.524 . 0 0 "[ . 1 . 2]" 2
405 1 107 ARG HA 1 108 THR H 2.500 . 2.500 2.175 2.141 2.206 . 0 0 "[ . 1 . 2]" 2
406 1 108 THR HB 1 109 LEU H 5.000 . 5.000 3.820 3.617 4.012 . 0 0 "[ . 1 . 2]" 2
407 1 108 THR HA 1 109 LEU H 2.500 . 2.500 2.316 2.216 2.389 . 0 0 "[ . 1 . 2]" 2
408 1 101 THR HA 1 109 LEU H 5.500 . 5.500 4.784 4.667 4.936 . 0 0 "[ . 1 . 2]" 2
409 1 109 LEU H 1 110 HIS HA 5.500 . 5.500 4.826 4.776 4.857 . 0 0 "[ . 1 . 2]" 2
410 1 109 LEU HB2 1 110 HIS H 4.000 . 4.000 3.681 2.462 4.028 0.028 13 0 "[ . 1 . 2]" 2
411 1 109 LEU HB2 1 110 HIS HA 5.500 . 5.500 5.422 4.434 5.606 0.106 10 0 "[ . 1 . 2]" 2
412 1 109 LEU HB3 1 110 HIS HA 5.500 . 5.500 4.708 4.140 5.608 0.108 4 0 "[ . 1 . 2]" 2
413 1 110 HIS H 1 111 MET H 5.000 . 5.000 4.415 4.360 4.494 . 0 0 "[ . 1 . 2]" 2
414 1 109 LEU HA 1 110 HIS H 2.500 . 2.500 2.195 2.162 2.242 . 0 0 "[ . 1 . 2]" 2
415 1 110 HIS HA 1 111 MET H 2.500 . 2.500 2.325 2.283 2.421 . 0 0 "[ . 1 . 2]" 2
416 1 101 THR HA 1 111 MET H 5.000 . 5.000 3.425 3.297 3.578 . 0 0 "[ . 1 . 2]" 2
417 1 110 HIS HB2 1 111 MET H 5.500 . 5.500 3.029 2.644 3.830 . 0 0 "[ . 1 . 2]" 2
418 1 110 HIS HB3 1 111 MET H 5.500 . 5.500 3.817 2.947 4.113 . 0 0 "[ . 1 . 2]" 2
419 1 111 MET HA 1 112 MET H 2.500 . 2.500 2.291 2.233 2.320 . 0 0 "[ . 1 . 2]" 2
420 1 19 ALA HA 1 112 MET H 5.500 . 5.500 4.345 4.064 4.511 . 0 0 "[ . 1 . 2]" 2
421 1 113 ARG H 1 114 LEU H 5.500 . 5.500 4.360 4.324 4.437 . 0 0 "[ . 1 . 2]" 2
422 1 112 MET HA 1 113 ARG H 2.500 . 2.500 2.245 2.214 2.290 . 0 0 "[ . 1 . 2]" 2
423 1 98 ILE H 1 113 ARG H 5.500 . 5.500 3.073 2.886 3.284 . 0 0 "[ . 1 . 2]" 2
424 1 99 TYR HA 1 113 ARG H 5.500 . 5.500 4.176 3.945 4.365 . 0 0 "[ . 1 . 2]" 2
425 1 113 ARG HA 1 114 LEU H 2.500 . 2.500 2.188 2.139 2.353 . 0 0 "[ . 1 . 2]" 2
426 1 18 LEU HA 1 114 LEU H 4.500 . 4.500 3.119 2.777 4.036 . 0 0 "[ . 1 . 2]" 2
427 1 114 LEU HA 1 115 TYR H 2.500 . 2.500 2.112 2.075 2.151 . 0 0 "[ . 1 . 2]" 2
428 1 115 TYR HA 1 116 SER H 3.500 . 3.500 2.332 2.302 2.380 . 0 0 "[ . 1 . 2]" 2
429 1 115 TYR HB2 1 116 SER H 5.500 . 5.500 3.430 3.006 3.788 . 0 0 "[ . 1 . 2]" 2
430 1 116 SER HB3 1 120 GLU HB2 6.500 . 6.500 6.436 5.987 6.508 0.008 16 0 "[ . 1 . 2]" 2
431 1 16 VAL HB 1 116 SER HB3 5.500 . 5.500 5.069 4.526 5.504 0.004 14 0 "[ . 1 . 2]" 2
432 1 116 SER HB3 1 117 ARG H 5.500 . 5.500 4.024 3.838 4.159 . 0 0 "[ . 1 . 2]" 2
433 1 116 SER HB2 1 117 ARG H 5.000 . 5.000 4.111 3.985 4.352 . 0 0 "[ . 1 . 2]" 2
434 1 116 SER HB2 1 120 GLU HB2 6.500 . 6.500 6.497 6.310 6.509 0.009 11 0 "[ . 1 . 2]" 2
435 1 16 VAL HB 1 116 SER HB2 5.500 . 5.500 4.861 4.455 5.487 . 0 0 "[ . 1 . 2]" 2
436 1 116 SER HA 1 117 ARG H 2.500 . 2.500 2.282 2.228 2.329 . 0 0 "[ . 1 . 2]" 2
437 1 117 ARG H 1 118 SER H 4.500 . 4.500 2.386 2.278 2.522 . 0 0 "[ . 1 . 2]" 2
438 1 95 TYR HA 1 117 ARG H 5.500 . 5.500 3.467 3.330 3.574 . 0 0 "[ . 1 . 2]" 2
439 1 117 ARG H 1 117 ARG HB2 4.000 . 4.000 2.520 2.357 2.737 . 0 0 "[ . 1 . 2]" 2
440 1 117 ARG H 1 117 ARG HB3 4.000 . 4.000 2.564 2.370 2.716 . 0 0 "[ . 1 . 2]" 2
441 1 117 ARG HA 1 118 SER H 3.500 . 3.500 3.434 3.404 3.465 . 0 0 "[ . 1 . 2]" 2
442 1 117 ARG HB2 1 118 SER H 4.000 . 4.000 4.016 4.002 4.042 0.042 2 0 "[ . 1 . 2]" 2
443 1 117 ARG HB3 1 118 SER H 4.500 . 4.500 3.033 2.851 3.193 . 0 0 "[ . 1 . 2]" 2
444 1 117 ARG HB2 1 118 SER HB2 5.500 . 5.500 5.494 5.281 5.510 0.010 5 0 "[ . 1 . 2]" 2
445 1 116 SER HA 1 118 SER H 4.500 . 4.500 3.791 3.633 3.941 . 0 0 "[ . 1 . 2]" 2
446 1 118 SER HB3 1 120 GLU H 3.500 . 3.500 2.978 2.492 3.103 . 0 0 "[ . 1 . 2]" 2
447 1 118 SER H 1 118 SER HB2 3.500 . 3.500 3.144 2.551 3.334 . 0 0 "[ . 1 . 2]" 2
448 1 118 SER H 1 119 PRO HD3 5.000 . 5.000 4.823 4.763 4.950 . 0 0 "[ . 1 . 2]" 2
449 1 118 SER HB2 1 119 PRO HD3 4.500 . 4.500 4.484 4.418 4.562 0.062 2 0 "[ . 1 . 2]" 2
450 1 119 PRO HB2 1 120 GLU H 5.500 . 5.500 3.048 2.938 4.201 . 0 0 "[ . 1 . 2]" 2
451 1 119 PRO HB3 1 120 GLU H 5.500 . 5.500 4.220 4.168 4.651 . 0 0 "[ . 1 . 2]" 2
452 1 119 PRO HG2 1 120 GLU H 5.500 . 5.500 4.361 4.004 4.408 . 0 0 "[ . 1 . 2]" 2
453 1 118 SER HA 1 119 PRO HG2 4.500 . 4.500 4.515 4.509 4.575 0.075 2 0 "[ . 1 . 2]" 2
454 1 119 PRO HG3 1 120 GLU H 5.500 . 5.500 4.865 4.833 5.073 . 0 0 "[ . 1 . 2]" 2
455 1 118 SER HA 1 119 PRO HG3 4.500 . 4.500 4.459 4.432 4.484 . 0 0 "[ . 1 . 2]" 2
456 1 119 PRO HD2 1 120 GLU H 5.500 . 5.500 3.398 3.334 3.486 . 0 0 "[ . 1 . 2]" 2
457 1 118 SER HA 1 119 PRO HD2 3.500 . 3.500 2.375 2.358 2.509 . 0 0 "[ . 1 . 2]" 2
458 1 119 PRO HD3 1 120 GLU H 5.500 . 5.500 4.272 4.227 4.299 . 0 0 "[ . 1 . 2]" 2
459 1 118 SER HA 1 119 PRO HD3 3.500 . 3.500 2.273 2.241 2.290 . 0 0 "[ . 1 . 2]" 2
460 1 120 GLU H 1 121 VAL H 4.500 . 4.500 4.536 4.500 4.552 0.052 19 0 "[ . 1 . 2]" 2
461 1 120 GLU HA 1 121 VAL H 3.500 . 3.500 2.370 2.302 2.503 . 0 0 "[ . 1 . 2]" 2
462 1 120 GLU HB2 1 121 VAL H 3.500 . 3.500 3.455 3.194 3.506 0.006 16 0 "[ . 1 . 2]" 2
463 1 121 VAL H 1 122 SER H 4.500 . 4.500 4.328 4.231 4.421 . 0 0 "[ . 1 . 2]" 2
464 1 121 VAL HA 1 122 SER HA 5.000 . 5.000 4.393 4.372 4.419 . 0 0 "[ . 1 . 2]" 2
465 1 121 VAL HA 1 122 SER H 3.500 . 3.500 2.157 2.143 2.174 . 0 0 "[ . 1 . 2]" 2
466 1 121 VAL HB 1 122 SER H 4.500 . 4.500 4.099 3.186 4.377 . 0 0 "[ . 1 . 2]" 2
467 1 122 SER H 1 122 SER HB3 3.500 . 3.500 2.692 2.228 3.525 0.025 20 0 "[ . 1 . 2]" 2
468 1 124 ALA H 1 125 ALA H 3.500 . 3.500 2.469 2.385 2.597 . 0 0 "[ . 1 . 2]" 2
469 1 125 ALA H 1 126 THR H 3.500 . 3.500 2.619 2.598 2.657 . 0 0 "[ . 1 . 2]" 2
470 1 126 THR H 1 126 THR HB 4.000 . 4.000 2.891 2.796 2.984 . 0 0 "[ . 1 . 2]" 2
471 1 126 THR HB 1 127 ALA H 5.000 . 5.000 2.941 2.913 2.991 . 0 0 "[ . 1 . 2]" 2
472 1 126 THR HB 1 129 PHE H 6.000 . 6.000 5.669 5.614 5.764 . 0 0 "[ . 1 . 2]" 2
473 1 127 ALA H 1 129 PHE H 5.500 . 5.500 3.802 3.730 3.880 . 0 0 "[ . 1 . 2]" 2
474 1 127 ALA H 1 128 ILE H 3.500 . 3.500 2.686 2.646 2.720 . 0 0 "[ . 1 . 2]" 2
475 1 127 ALA HA 1 130 ARG H 4.000 . 4.000 3.146 2.994 3.225 . 0 0 "[ . 1 . 2]" 2
476 1 127 ALA HA 1 128 ILE H 4.000 . 4.000 3.601 3.594 3.608 . 0 0 "[ . 1 . 2]" 2
477 1 128 ILE H 1 129 PHE H 3.500 . 3.500 2.437 2.363 2.501 . 0 0 "[ . 1 . 2]" 2
478 1 128 ILE H 1 130 ARG H 5.500 . 5.500 4.058 3.941 4.103 . 0 0 "[ . 1 . 2]" 2
479 1 125 ALA HA 1 128 ILE H 5.500 . 5.500 3.841 3.720 4.001 . 0 0 "[ . 1 . 2]" 2
480 1 128 ILE H 1 128 ILE HB 3.500 . 3.500 2.205 2.189 2.216 . 0 0 "[ . 1 . 2]" 2
481 1 128 ILE H 1 128 ILE HG13 4.500 . 4.500 4.549 4.544 4.555 0.055 18 0 "[ . 1 . 2]" 2
482 1 128 ILE HA 1 132 LEU H 5.500 . 5.500 4.423 4.098 4.627 . 0 0 "[ . 1 . 2]" 2
483 1 128 ILE HA 1 129 PHE H 5.500 . 5.500 3.424 3.402 3.443 . 0 0 "[ . 1 . 2]" 2
484 1 128 ILE HB 1 129 PHE H 4.000 . 4.000 3.454 3.415 3.488 . 0 0 "[ . 1 . 2]" 2
485 1 125 ALA HA 1 128 ILE HB 5.500 . 5.500 3.885 3.752 4.127 . 0 0 "[ . 1 . 2]" 2
486 1 129 PHE H 1 130 ARG H 4.000 . 4.000 2.764 2.687 2.810 . 0 0 "[ . 1 . 2]" 2
487 1 130 ARG H 1 131 LYS H 4.000 . 4.000 2.617 2.524 2.678 . 0 0 "[ . 1 . 2]" 2
488 1 130 ARG HA 1 131 LYS H 5.500 . 5.500 3.547 3.510 3.566 . 0 0 "[ . 1 . 2]" 2
489 1 131 LYS H 1 132 LEU H 4.000 . 4.000 2.980 2.749 3.091 . 0 0 "[ . 1 . 2]" 2
490 1 128 ILE HA 1 131 LYS H 5.500 . 5.500 3.274 3.174 3.413 . 0 0 "[ . 1 . 2]" 2
491 1 132 LEU H 1 133 ALA H 4.000 . 4.000 2.712 2.656 2.783 . 0 0 "[ . 1 . 2]" 2
492 1 132 LEU HA 1 135 GLU H 5.500 . 5.500 3.268 3.162 3.568 . 0 0 "[ . 1 . 2]" 2
493 1 133 ALA H 1 134 GLY H 3.500 . 3.500 2.747 2.704 2.771 . 0 0 "[ . 1 . 2]" 2
494 1 133 ALA H 1 135 GLU H 5.000 . 5.000 4.162 4.027 4.255 . 0 0 "[ . 1 . 2]" 2
495 1 134 GLY H 1 135 GLU H 4.000 . 4.000 2.564 2.533 2.618 . 0 0 "[ . 1 . 2]" 2
496 1 134 GLY H 1 136 ARG H 4.500 . 4.500 3.831 3.752 4.028 . 0 0 "[ . 1 . 2]" 2
497 1 135 GLU H 1 136 ARG H 3.500 . 3.500 2.580 2.549 2.650 . 0 0 "[ . 1 . 2]" 2
498 1 136 ARG H 1 138 TYR H 4.000 . 4.000 3.488 3.391 3.598 . 0 0 "[ . 1 . 2]" 2
499 1 132 LEU HA 1 136 ARG H 5.500 . 5.500 4.817 4.745 4.876 . 0 0 "[ . 1 . 2]" 2
500 1 136 ARG H 1 137 ASN H 3.500 . 3.500 2.423 2.324 2.691 . 0 0 "[ . 1 . 2]" 2
501 1 137 ASN H 1 137 ASN HB2 3.500 . 3.500 3.519 3.503 3.537 0.037 18 0 "[ . 1 . 2]" 2
502 1 137 ASN H 1 138 TYR H 3.500 . 3.500 2.758 2.680 2.815 . 0 0 "[ . 1 . 2]" 2
503 1 137 ASN HA 1 138 TYR H 3.500 . 3.500 2.845 2.794 2.958 . 0 0 "[ . 1 . 2]" 2
504 1 137 ASN HB2 1 138 TYR H 4.000 . 4.000 4.079 4.042 4.096 0.096 17 0 "[ . 1 . 2]" 2
505 1 137 ASN H 1 137 ASN HD21 4.500 . 4.500 3.136 1.721 4.248 . 0 0 "[ . 1 . 2]" 2
506 1 137 ASN HA 1 137 ASN HD21 4.500 . 4.500 2.649 1.901 4.227 . 0 0 "[ . 1 . 2]" 2
507 1 137 ASN HB3 1 137 ASN HD21 3.500 . 3.500 3.008 2.371 3.418 . 0 0 "[ . 1 . 2]" 2
508 1 137 ASN H 1 137 ASN HD22 4.500 . 4.500 3.808 3.194 4.344 . 0 0 "[ . 1 . 2]" 2
509 1 137 ASN HA 1 137 ASN HD22 4.500 . 4.500 3.818 3.484 4.509 0.009 4 0 "[ . 1 . 2]" 2
510 1 137 ASN HB3 1 137 ASN HD22 4.000 . 4.000 3.830 3.560 4.013 0.013 5 0 "[ . 1 . 2]" 2
511 1 138 TYR H 1 139 THR H 5.500 . 5.500 4.565 4.397 4.638 . 0 0 "[ . 1 . 2]" 2
512 1 138 TYR HA 1 139 THR H 3.500 . 3.500 2.311 2.122 2.470 . 0 0 "[ . 1 . 2]" 2
513 1 139 THR H 1 139 THR HB 4.000 . 4.000 3.743 3.559 3.839 . 0 0 "[ . 1 . 2]" 2
514 1 139 THR HA 1 140 ASP H 3.500 . 3.500 2.346 2.325 2.393 . 0 0 "[ . 1 . 2]" 2
515 1 139 THR HB 1 140 ASP H 3.500 . 3.500 2.982 2.869 3.043 . 0 0 "[ . 1 . 2]" 2
516 1 140 ASP H 1 143 VAL H 5.500 . 5.500 5.182 4.955 5.326 . 0 0 "[ . 1 . 2]" 2
517 1 140 ASP HA 1 143 VAL H 3.500 . 3.500 3.494 3.449 3.522 0.022 4 0 "[ . 1 . 2]" 2
518 1 141 GLU H 1 142 MET H 3.500 . 3.500 2.781 2.743 2.802 . 0 0 "[ . 1 . 2]" 2
519 1 141 GLU H 1 143 VAL H 4.500 . 4.500 4.242 4.187 4.322 . 0 0 "[ . 1 . 2]" 2
520 1 141 GLU HB2 1 142 MET H 5.500 . 5.500 3.596 3.053 4.252 . 0 0 "[ . 1 . 2]" 2
521 1 141 GLU HB3 1 142 MET H 5.500 . 5.500 3.797 3.120 4.316 . 0 0 "[ . 1 . 2]" 2
522 1 142 MET H 1 143 VAL H 3.500 . 3.500 2.416 2.363 2.468 . 0 0 "[ . 1 . 2]" 2
523 1 141 GLU HA 1 142 MET H 4.000 . 4.000 3.452 3.438 3.475 . 0 0 "[ . 1 . 2]" 2
524 1 143 VAL H 1 144 ALA H 4.500 . 4.500 4.305 4.260 4.347 . 0 0 "[ . 1 . 2]" 2
525 1 143 VAL H 1 143 VAL HB 3.500 . 3.500 2.994 2.861 3.135 . 0 0 "[ . 1 . 2]" 2
526 1 142 MET HA 1 143 VAL H 3.500 . 3.500 3.397 3.372 3.439 . 0 0 "[ . 1 . 2]" 2
527 1 142 MET HG3 1 143 VAL H 5.500 . 5.500 4.315 4.204 4.427 . 0 0 "[ . 1 . 2]" 2
528 1 143 VAL HB 1 144 ALA H 5.000 . 5.000 4.378 4.294 4.467 . 0 0 "[ . 1 . 2]" 2
529 1 144 ALA H 1 145 MET H 4.500 . 4.500 4.328 4.263 4.384 . 0 0 "[ . 1 . 2]" 2
530 1 143 VAL HA 1 144 ALA H 2.500 . 2.500 2.159 2.129 2.204 . 0 0 "[ . 1 . 2]" 2
531 1 19 ALA HA 1 144 ALA H 5.500 . 5.500 3.505 3.173 3.757 . 0 0 "[ . 1 . 2]" 2
532 1 18 LEU HG 1 144 ALA H 5.500 . 5.500 5.343 4.907 5.539 0.039 3 0 "[ . 1 . 2]" 2
533 1 144 ALA HA 1 145 MET H . . 2.500 2.151 2.125 2.173 . 0 0 "[ . 1 . 2]" 2
534 1 145 MET H 1 146 LEU H 5.000 . 5.000 4.594 4.547 4.640 . 0 0 "[ . 1 . 2]" 2
535 1 145 MET H 1 145 MET HG2 4.000 . 4.000 2.927 1.765 4.077 0.077 6 0 "[ . 1 . 2]" 2
536 1 145 MET H 1 145 MET HG3 4.000 . 4.000 3.516 2.447 4.156 0.156 4 0 "[ . 1 . 2]" 2
537 1 145 MET HA 1 146 LEU H 2.500 . 2.500 2.312 2.248 2.362 . 0 0 "[ . 1 . 2]" 2
538 1 145 MET HG2 1 146 LEU H 5.500 . 5.500 4.490 3.578 5.171 . 0 0 "[ . 1 . 2]" 2
539 1 145 MET HG3 1 146 LEU H 5.500 . 5.500 3.965 2.079 5.511 0.011 19 0 "[ . 1 . 2]" 2
540 1 146 LEU H 1 146 LEU HG 4.500 . 4.500 4.214 2.700 4.641 0.141 9 0 "[ . 1 . 2]" 2
541 1 146 LEU H 1 146 LEU HB3 4.000 . 4.000 3.198 2.951 3.795 . 0 0 "[ . 1 . 2]" 2
542 1 34 MET HA 1 146 LEU H 5.500 . 5.500 5.493 5.173 5.580 0.080 15 0 "[ . 1 . 2]" 2
543 1 17 ALA HA 1 146 LEU H 4.500 . 4.500 3.319 2.940 3.648 . 0 0 "[ . 1 . 2]" 2
544 1 147 PRO HA 1 148 ARG H 3.500 . 3.500 2.362 2.290 2.458 . 0 0 "[ . 1 . 2]" 2
545 1 147 PRO HB2 1 148 ARG H 3.500 . 3.500 2.746 2.454 3.072 . 0 0 "[ . 1 . 2]" 2
546 1 148 ARG H 1 149 GLN H 4.500 . 4.500 2.745 2.654 2.829 . 0 0 "[ . 1 . 2]" 2
547 1 148 ARG HA 1 149 GLN H 3.500 . 3.500 3.389 3.320 3.458 . 0 0 "[ . 1 . 2]" 2
548 1 149 GLN HA 1 150 GLU H 3.500 . 3.500 2.156 2.125 2.186 . 0 0 "[ . 1 . 2]" 2
549 1 150 GLU HA 1 152 CYS H 5.000 . 5.000 3.931 3.611 4.864 . 0 0 "[ . 1 . 2]" 2
550 1 150 GLU HA 1 151 GLU H 3.500 . 3.500 2.191 2.144 2.227 . 0 0 "[ . 1 . 2]" 2
551 1 150 GLU HB3 1 151 GLU H 4.500 . 4.500 4.115 3.962 4.245 . 0 0 "[ . 1 . 2]" 2
552 1 150 GLU HB2 1 151 GLU H 4.500 . 4.500 3.059 2.905 3.271 . 0 0 "[ . 1 . 2]" 2
553 1 150 GLU H 1 151 GLU H 4.500 . 4.500 4.396 4.364 4.422 . 0 0 "[ . 1 . 2]" 2
554 1 151 GLU H 1 152 CYS H 3.500 . 3.500 1.961 1.700 2.720 . 0 0 "[ . 1 . 2]" 2
555 1 151 GLU H 1 152 CYS HA 5.500 . 5.500 4.583 4.459 4.843 . 0 0 "[ . 1 . 2]" 2
556 1 151 GLU H 1 152 CYS HB2 5.500 . 5.500 4.384 4.191 5.155 . 0 0 "[ . 1 . 2]" 2
557 1 151 GLU H 1 152 CYS HB3 5.500 . 5.500 5.404 4.542 5.531 0.031 12 0 "[ . 1 . 2]" 2
558 1 151 GLU HA 1 152 CYS H 5.500 . 5.500 3.497 3.459 3.553 . 0 0 "[ . 1 . 2]" 2
559 1 152 CYS H 1 153 THR H 4.500 . 4.500 4.439 4.400 4.529 0.029 11 0 "[ . 1 . 2]" 2
560 1 152 CYS H 1 152 CYS HB2 4.000 . 4.000 2.585 2.131 3.041 . 0 0 "[ . 1 . 2]" 2
561 1 152 CYS H 1 152 CYS HB3 4.000 . 4.000 3.538 2.789 3.806 . 0 0 "[ . 1 . 2]" 2
562 1 152 CYS HA 1 153 THR H 3.500 . 3.500 2.338 2.176 2.394 . 0 0 "[ . 1 . 2]" 2
563 1 152 CYS HB2 1 153 THR H 4.000 . 4.000 3.954 3.773 4.038 0.038 9 0 "[ . 1 . 2]" 2
564 1 152 CYS HB3 1 153 THR H 5.000 . 5.000 2.802 2.511 3.524 . 0 0 "[ . 1 . 2]" 2
565 1 153 THR H 1 154 VAL H 4.500 . 4.500 4.398 4.389 4.412 . 0 0 "[ . 1 . 2]" 2
566 1 153 THR HA 1 154 VAL H 2.500 . 2.500 2.388 2.320 2.429 . 0 0 "[ . 1 . 2]" 2
567 1 153 THR HB 1 154 VAL H 3.500 . 3.500 2.559 2.473 2.796 . 0 0 "[ . 1 . 2]" 2
568 1 154 VAL H 1 155 ASP H 4.500 . 4.500 4.542 4.505 4.555 0.055 13 0 "[ . 1 . 2]" 2
569 1 154 VAL H 1 154 VAL HB 3.500 . 3.500 3.466 3.101 3.556 0.056 6 0 "[ . 1 . 2]" 2
570 1 154 VAL HA 1 155 ASP H 2.500 . 2.500 2.307 2.173 2.345 . 0 0 "[ . 1 . 2]" 2
571 1 154 VAL HA 1 155 ASP HA 4.500 . 4.500 4.332 4.266 4.399 . 0 0 "[ . 1 . 2]" 2
572 1 154 VAL HB 1 155 ASP H 3.500 . 3.500 2.820 2.466 3.552 0.052 15 0 "[ . 1 . 2]" 2
573 1 155 ASP H 1 155 ASP HB2 3.500 . 3.500 2.922 2.612 3.281 . 0 0 "[ . 1 . 2]" 2
574 1 155 ASP H 1 155 ASP HB3 3.500 . 3.500 2.649 2.434 3.445 . 0 0 "[ . 1 . 2]" 2
575 1 155 ASP HB3 1 157 VAL H 4.500 . 4.500 3.643 2.797 4.502 0.002 17 0 "[ . 1 . 2]" 2
576 1 155 ASP HB2 1 156 GLU H 3.500 . 3.500 3.549 3.510 3.560 0.060 9 0 "[ . 1 . 2]" 2
577 1 155 ASP HB3 1 156 GLU H 3.500 . 3.500 3.526 3.503 3.536 0.036 5 0 "[ . 1 . 2]" 2
578 1 155 ASP HA 1 156 GLU H 3.500 . 3.500 2.300 2.154 2.355 . 0 0 "[ . 1 . 2]" 2
579 1 156 GLU H 1 157 VAL H 3.500 . 3.500 2.874 2.339 3.507 0.007 19 0 "[ . 1 . 2]" 2
580 1 156 GLU HB3 1 157 VAL H 4.500 . 4.500 4.064 3.619 4.519 0.019 15 0 "[ . 1 . 2]" 2
581 1 156 GLU H 1 156 GLU HG2 3.500 . 3.500 2.709 1.802 3.504 0.004 11 0 "[ . 1 . 2]" 2
582 1 156 GLU H 1 156 GLU HB3 3.500 . 3.500 3.300 2.484 3.544 0.044 12 0 "[ . 1 . 2]" 2
583 1 156 GLU H 1 156 GLU HG3 3.500 . 3.500 2.703 2.315 3.489 . 0 0 "[ . 1 . 2]" 2
584 1 157 VAL H 1 157 VAL HB 3.500 . 3.500 3.234 2.395 3.543 0.043 18 0 "[ . 1 . 2]" 2
585 1 59 CYS SG 1 152 CYS SG 2.100 . 2.100 2.020 2.019 2.022 . 0 0 "[ . 1 . 2]" 2
586 1 59 CYS SG 1 152 CYS CB 3.100 . 3.100 3.022 3.018 3.027 . 0 0 "[ . 1 . 2]" 2
587 1 59 CYS CB 1 152 CYS SG 3.100 . 3.100 3.025 3.020 3.031 . 0 0 "[ . 1 . 2]" 2
588 1 100 ALA MB 2 1 EB4 H7 3.500 . 3.500 2.559 2.188 2.750 . 0 0 "[ . 1 . 2]" 2
589 1 109 LEU HB2 2 1 EB4 H13 5.500 . 5.500 4.818 4.171 5.327 . 0 0 "[ . 1 . 2]" 2
590 1 109 LEU HB3 2 1 EB4 H13 5.500 . 5.500 3.984 3.258 5.478 . 0 0 "[ . 1 . 2]" 2
591 1 109 LEU MD2 2 1 EB4 H10 5.500 . 5.500 3.721 2.882 4.417 . 0 0 "[ . 1 . 2]" 2
592 1 109 LEU MD2 2 1 EB4 H13 5.500 . 5.500 2.125 1.882 2.537 . 0 0 "[ . 1 . 2]" 2
593 1 111 MET HB3 2 1 EB4 H10 5.500 . 5.500 5.020 4.280 5.288 . 0 0 "[ . 1 . 2]" 2
594 1 111 MET HB2 2 1 EB4 H10 5.500 . 5.500 5.293 5.137 5.494 . 0 0 "[ . 1 . 2]" 2
595 1 111 MET ME 2 1 EB4 H13 5.500 . 5.500 3.960 2.928 4.569 . 0 0 "[ . 1 . 2]" 2
596 1 111 MET ME 2 1 EB4 H10 5.500 . 5.500 3.158 2.802 4.031 . 0 0 "[ . 1 . 2]" 2
597 1 111 MET ME 2 1 EB4 H7 5.500 . 5.500 2.878 2.014 3.884 . 0 0 "[ . 1 . 2]" 2
598 1 15 VAL MG1 2 1 EB4 H9 5.500 . 5.500 3.972 3.150 4.315 . 0 0 "[ . 1 . 2]" 2
599 1 15 VAL MG1 2 1 EB4 H12 5.500 . 5.500 2.773 2.425 2.984 . 0 0 "[ . 1 . 2]" 2
600 1 15 VAL MG1 2 1 EB4 H15 5.500 . 5.500 4.324 3.732 4.481 . 0 0 "[ . 1 . 2]" 2
601 1 35 ALA MB 2 1 EB4 H15 5.500 . 5.500 3.604 3.200 4.154 . 0 0 "[ . 1 . 2]" 2
602 1 35 ALA MB 2 1 EB4 H12 5.500 . 5.500 3.021 2.718 3.479 . 0 0 "[ . 1 . 2]" 2
603 1 53 VAL MG2 2 1 EB4 H9 5.500 . 5.500 4.158 3.758 4.533 . 0 0 "[ . 1 . 2]" 2
604 1 53 VAL MG2 2 1 EB4 H12 5.500 . 5.500 3.292 2.775 4.022 . 0 0 "[ . 1 . 2]" 2
605 1 53 VAL MG2 2 1 EB4 H15 5.500 . 5.500 2.821 2.415 3.517 . 0 0 "[ . 1 . 2]" 2
606 1 62 TRP HE1 2 1 EB4 H11 5.500 . 5.500 4.191 3.429 5.499 . 0 0 "[ . 1 . 2]" 2
607 1 62 TRP HZ2 2 1 EB4 H11 5.500 . 5.500 2.924 2.098 5.517 0.017 13 0 "[ . 1 . 2]" 2
608 1 81 ALA MB 2 1 EB4 H14 5.500 . 5.500 4.127 3.772 4.425 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 127
_Distance_constraint_stats_list.Viol_count 300
_Distance_constraint_stats_list.Viol_total 158.672
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0123
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 13 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.004 0.004 18 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 1.427 0.116 15 0 "[ . 1 . 2]"
1 18 LEU 0.417 0.043 3 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.076 0.026 20 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.261 0.033 17 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 1.058 0.087 20 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.261 0.033 17 0 "[ . 1 . 2]"
1 32 MET 0.982 0.087 20 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.373 0.054 6 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.137 0.026 16 0 "[ . 1 . 2]"
1 46 GLU 0.137 0.026 16 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.373 0.054 6 0 "[ . 1 . 2]"
1 51 TYR 0.168 0.018 7 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.200 0.035 11 0 "[ . 1 . 2]"
1 60 ARG 0.200 0.035 11 0 "[ . 1 . 2]"
1 62 TRP 0.168 0.018 7 0 "[ . 1 . 2]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 1.407 0.115 15 0 "[ . 1 . 2]"
1 76 TYR 0.070 0.018 20 0 "[ . 1 . 2]"
1 77 TYR 1.407 0.115 15 0 "[ . 1 . 2]"
1 78 SER 0.001 0.001 15 0 "[ . 1 . 2]"
1 82 LYS 0.662 0.040 15 0 "[ . 1 . 2]"
1 83 LYS 0.001 0.001 15 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.070 0.018 20 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.503 0.075 19 0 "[ . 1 . 2]"
1 94 SER 0.049 0.009 19 0 "[ . 1 . 2]"
1 95 TYR 0.503 0.075 19 0 "[ . 1 . 2]"
1 96 ALA 0.183 0.027 18 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ILE 0.065 0.017 12 0 "[ . 1 . 2]"
1 99 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.301 0.027 3 0 "[ . 1 . 2]"
1 103 VAL 0.662 0.040 15 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 0.301 0.027 3 0 "[ . 1 . 2]"
1 111 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ARG 0.065 0.017 12 0 "[ . 1 . 2]"
1 114 LEU 1.427 0.116 15 0 "[ . 1 . 2]"
1 115 TYR 0.183 0.027 18 0 "[ . 1 . 2]"
1 116 SER 0.004 0.004 18 0 "[ . 1 . 2]"
1 117 ARG 0.049 0.009 19 0 "[ . 1 . 2]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.014 0.006 20 0 "[ . 1 . 2]"
1 126 THR 0.131 0.021 10 0 "[ . 1 . 2]"
1 127 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.062 0.014 7 0 "[ . 1 . 2]"
1 129 PHE 0.014 0.006 20 0 "[ . 1 . 2]"
1 130 ARG 0.131 0.021 10 0 "[ . 1 . 2]"
1 131 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.501 0.030 11 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ARG 0.439 0.030 11 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 ALA 0.417 0.043 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 VAL H 1 35 ALA O 2.500 . 2.500 1.889 1.753 2.037 . 0 0 "[ . 1 . 2]" 3
2 1 15 VAL N 1 35 ALA O 3.500 . 3.500 2.781 2.543 2.988 . 0 0 "[ . 1 . 2]" 3
3 1 13 TRP H 1 37 ALA O 2.500 . 2.500 1.448 1.412 1.549 . 0 0 "[ . 1 . 2]" 3
4 1 13 TRP N 1 37 ALA O 3.500 . 3.500 2.389 2.327 2.521 . 0 0 "[ . 1 . 2]" 3
5 1 17 ALA H 1 114 LEU O 2.500 . 2.500 2.562 2.437 2.616 0.116 15 0 "[ . 1 . 2]" 3
6 1 17 ALA N 1 114 LEU O 3.500 . 3.500 3.224 3.069 3.460 . 0 0 "[ . 1 . 2]" 3
7 1 18 LEU H 1 144 ALA O 2.500 . 2.500 2.491 2.321 2.543 0.043 3 0 "[ . 1 . 2]" 3
8 1 18 LEU N 1 144 ALA O 3.500 . 3.500 3.367 3.119 3.472 . 0 0 "[ . 1 . 2]" 3
9 1 19 ALA H 1 112 MET O 2.500 . 2.500 1.797 1.620 2.161 . 0 0 "[ . 1 . 2]" 3
10 1 19 ALA N 1 112 MET O 3.500 . 3.500 2.563 2.474 2.672 . 0 0 "[ . 1 . 2]" 3
11 1 20 SER H 1 142 MET O 2.500 . 2.500 2.214 2.037 2.332 . 0 0 "[ . 1 . 2]" 3
12 1 20 SER N 1 142 MET O 3.500 . 3.500 3.120 2.968 3.247 . 0 0 "[ . 1 . 2]" 3
13 1 28 GLU O 1 32 MET H 2.500 . 2.500 2.549 2.520 2.587 0.087 20 0 "[ . 1 . 2]" 3
14 1 28 GLU O 1 32 MET N 3.500 . 3.500 3.347 3.226 3.421 . 0 0 "[ . 1 . 2]" 3
15 1 26 LEU O 1 30 ASP H 2.500 . 2.500 2.511 2.476 2.533 0.033 17 0 "[ . 1 . 2]" 3
16 1 26 LEU O 1 30 ASP N 3.500 . 3.500 3.367 3.298 3.430 . 0 0 "[ . 1 . 2]" 3
17 1 25 PHE O 1 29 LYS H 2.500 . 2.500 1.650 1.514 1.766 . 0 0 "[ . 1 . 2]" 3
18 1 25 PHE O 1 29 LYS N 3.500 . 3.500 2.597 2.436 2.703 . 0 0 "[ . 1 . 2]" 3
19 1 24 PHE O 1 28 GLU H 2.500 . 2.500 2.276 1.915 2.526 0.026 20 0 "[ . 1 . 2]" 3
20 1 24 PHE O 1 28 GLU N 3.500 . 3.500 3.186 2.866 3.413 . 0 0 "[ . 1 . 2]" 3
21 1 23 GLU O 1 27 ARG H 2.500 . 2.500 1.927 1.683 2.150 . 0 0 "[ . 1 . 2]" 3
22 1 23 GLU O 1 27 ARG N 3.500 . 3.500 2.743 2.489 2.968 . 0 0 "[ . 1 . 2]" 3
23 1 15 VAL O 1 35 ALA H 2.500 . 2.500 2.041 1.760 2.252 . 0 0 "[ . 1 . 2]" 3
24 1 15 VAL O 1 35 ALA N 3.500 . 3.500 2.948 2.691 3.218 . 0 0 "[ . 1 . 2]" 3
25 1 36 MET H 1 52 ALA O 2.500 . 2.500 1.841 1.669 2.023 . 0 0 "[ . 1 . 2]" 3
26 1 36 MET N 1 52 ALA O 3.500 . 3.500 2.774 2.615 2.937 . 0 0 "[ . 1 . 2]" 3
27 1 13 TRP O 1 37 ALA H 2.500 . 2.500 1.869 1.679 2.021 . 0 0 "[ . 1 . 2]" 3
28 1 13 TRP O 1 37 ALA N 3.500 . 3.500 2.578 2.520 2.654 . 0 0 "[ . 1 . 2]" 3
29 1 38 ARG H 1 50 SER O 2.500 . 2.500 2.508 2.432 2.554 0.054 6 0 "[ . 1 . 2]" 3
30 1 38 ARG N 1 50 SER O 3.500 . 3.500 3.339 3.255 3.374 . 0 0 "[ . 1 . 2]" 3
31 1 40 SER H 1 48 LYS O 2.500 . 2.500 2.057 1.760 2.365 . 0 0 "[ . 1 . 2]" 3
32 1 40 SER N 1 48 LYS O 3.500 . 3.500 2.842 2.619 3.076 . 0 0 "[ . 1 . 2]" 3
33 1 42 LEU H 1 46 GLU O 2.500 . 2.500 2.417 2.290 2.526 0.026 16 0 "[ . 1 . 2]" 3
34 1 42 LEU N 1 46 GLU O 3.500 . 3.500 2.877 2.686 3.114 . 0 0 "[ . 1 . 2]" 3
35 1 47 LEU H 1 66 PHE O 2.500 . 2.500 1.912 1.581 2.279 . 0 0 "[ . 1 . 2]" 3
36 1 47 LEU N 1 66 PHE O 3.500 . 3.500 2.793 2.408 3.123 . 0 0 "[ . 1 . 2]" 3
37 1 40 SER O 1 48 LYS H 2.500 . 2.500 1.981 1.850 2.113 . 0 0 "[ . 1 . 2]" 3
38 1 40 SER O 1 48 LYS N 3.500 . 3.500 2.890 2.760 3.014 . 0 0 "[ . 1 . 2]" 3
39 1 49 VAL H 1 64 THR O 2.500 . 2.500 1.975 1.795 2.231 . 0 0 "[ . 1 . 2]" 3
40 1 49 VAL N 1 64 THR O 3.500 . 3.500 2.820 2.599 3.087 . 0 0 "[ . 1 . 2]" 3
41 1 38 ARG O 1 50 SER H 2.500 . 2.500 1.968 1.824 2.153 . 0 0 "[ . 1 . 2]" 3
42 1 38 ARG O 1 50 SER N 3.500 . 3.500 2.840 2.718 2.966 . 0 0 "[ . 1 . 2]" 3
43 1 51 TYR H 1 62 TRP O 2.500 . 2.500 2.429 2.151 2.518 0.018 7 0 "[ . 1 . 2]" 3
44 1 36 MET O 1 52 ALA H 2.500 . 2.500 1.770 1.705 1.910 . 0 0 "[ . 1 . 2]" 3
45 1 36 MET O 1 52 ALA N 3.500 . 3.500 2.571 2.515 2.619 . 0 0 "[ . 1 . 2]" 3
46 1 53 VAL H 1 60 ARG O 2.500 . 2.500 2.331 2.161 2.502 0.002 1 0 "[ . 1 . 2]" 3
47 1 53 VAL N 1 60 ARG O 3.500 . 3.500 3.262 3.049 3.475 . 0 0 "[ . 1 . 2]" 3
48 1 53 VAL O 1 60 ARG H 2.500 . 2.500 2.445 2.173 2.535 0.035 11 0 "[ . 1 . 2]" 3
49 1 53 VAL O 1 60 ARG N 3.500 . 3.500 3.369 3.142 3.496 . 0 0 "[ . 1 . 2]" 3
50 1 51 TYR O 1 62 TRP H 2.500 . 2.500 2.479 2.374 2.513 0.013 20 0 "[ . 1 . 2]" 3
51 1 51 TYR O 1 62 TRP N 3.500 . 3.500 3.447 3.317 3.487 . 0 0 "[ . 1 . 2]" 3
52 1 49 VAL O 1 64 THR H 2.500 . 2.500 2.137 1.867 2.350 . 0 0 "[ . 1 . 2]" 3
53 1 49 VAL O 1 64 THR N 3.500 . 3.500 2.863 2.641 3.060 . 0 0 "[ . 1 . 2]" 3
54 1 67 LYS H 1 77 TYR O 2.500 . 2.500 2.079 1.721 2.549 0.049 17 0 "[ . 1 . 2]" 3
55 1 67 LYS N 1 77 TYR O 3.500 . 3.500 2.953 2.696 3.291 . 0 0 "[ . 1 . 2]" 3
56 1 76 TYR H 1 85 VAL O 2.500 . 2.500 2.256 2.026 2.466 . 0 0 "[ . 1 . 2]" 3
57 1 76 TYR N 1 85 VAL O 3.500 . 3.500 3.205 2.991 3.358 . 0 0 "[ . 1 . 2]" 3
58 1 67 LYS O 1 77 TYR H 2.500 . 2.500 2.305 1.806 2.615 0.115 15 0 "[ . 1 . 2]" 3
59 1 67 LYS O 1 77 TYR N 3.500 . 3.500 3.160 2.728 3.430 . 0 0 "[ . 1 . 2]" 3
60 1 78 SER H 1 83 LYS O 2.500 . 2.500 2.140 1.830 2.501 0.001 15 0 "[ . 1 . 2]" 3
61 1 78 SER N 1 83 LYS O 3.500 . 3.500 3.077 2.790 3.398 . 0 0 "[ . 1 . 2]" 3
62 1 86 GLU H 1 99 TYR O 2.500 . 2.500 2.196 1.831 2.427 . 0 0 "[ . 1 . 2]" 3
63 1 86 GLU N 1 99 TYR O 3.500 . 3.500 3.162 2.807 3.374 . 0 0 "[ . 1 . 2]" 3
64 1 84 LYS H 1 101 THR O 2.500 . 2.500 2.117 1.881 2.412 . 0 0 "[ . 1 . 2]" 3
65 1 84 LYS N 1 101 THR O 3.500 . 3.500 3.082 2.855 3.365 . 0 0 "[ . 1 . 2]" 3
66 1 76 TYR O 1 85 VAL H 2.500 . 2.500 2.376 2.174 2.518 0.018 20 0 "[ . 1 . 2]" 3
67 1 76 TYR O 1 85 VAL N 3.500 . 3.500 3.180 3.040 3.270 . 0 0 "[ . 1 . 2]" 3
68 1 89 ASP H 1 97 VAL O 2.500 . 2.500 2.230 1.562 2.439 . 0 0 "[ . 1 . 2]" 3
69 1 89 ASP N 1 97 VAL O 3.500 . 3.500 2.757 2.415 3.361 . 0 0 "[ . 1 . 2]" 3
70 1 91 ASP H 1 95 TYR O 2.500 . 2.500 2.217 1.921 2.575 0.075 19 0 "[ . 1 . 2]" 3
71 1 91 ASP N 1 95 TYR O 3.500 . 3.500 3.039 2.774 3.419 . 0 0 "[ . 1 . 2]" 3
72 1 96 ALA H 1 115 TYR O 2.500 . 2.500 2.484 2.280 2.527 0.027 18 0 "[ . 1 . 2]" 3
73 1 96 ALA N 1 115 TYR O 3.500 . 3.500 3.381 3.159 3.455 . 0 0 "[ . 1 . 2]" 3
74 1 89 ASP O 1 97 VAL H 2.500 . 2.500 1.726 1.627 1.893 . 0 0 "[ . 1 . 2]" 3
75 1 89 ASP O 1 97 VAL N 3.500 . 3.500 2.552 2.398 2.792 . 0 0 "[ . 1 . 2]" 3
76 1 98 ILE H 1 113 ARG O 2.500 . 2.500 2.367 2.266 2.508 0.008 14 0 "[ . 1 . 2]" 3
77 1 98 ILE N 1 113 ARG O 3.500 . 3.500 3.315 3.211 3.444 . 0 0 "[ . 1 . 2]" 3
78 1 86 GLU O 1 99 TYR H 2.500 . 2.500 2.197 1.773 2.426 . 0 0 "[ . 1 . 2]" 3
79 1 86 GLU O 1 99 TYR N 3.500 . 3.500 3.134 2.699 3.373 . 0 0 "[ . 1 . 2]" 3
80 1 100 ALA H 1 111 MET O 2.500 . 2.500 2.073 1.913 2.245 . 0 0 "[ . 1 . 2]" 3
81 1 100 ALA N 1 111 MET O 3.500 . 3.500 2.931 2.747 3.090 . 0 0 "[ . 1 . 2]" 3
82 1 84 LYS O 1 101 THR H 2.500 . 2.500 2.134 1.962 2.412 . 0 0 "[ . 1 . 2]" 3
83 1 84 LYS O 1 101 THR N 3.500 . 3.500 3.071 2.875 3.364 . 0 0 "[ . 1 . 2]" 3
84 1 102 ARG H 1 109 LEU O 2.500 . 2.500 2.476 2.329 2.519 0.019 13 0 "[ . 1 . 2]" 3
85 1 102 ARG N 1 109 LEU O 3.500 . 3.500 3.185 3.066 3.275 . 0 0 "[ . 1 . 2]" 3
86 1 82 LYS O 1 103 VAL H 2.500 . 2.500 2.533 2.528 2.540 0.040 15 0 "[ . 1 . 2]" 3
87 1 82 LYS O 1 103 VAL N 3.500 . 3.500 3.410 3.375 3.462 . 0 0 "[ . 1 . 2]" 3
88 1 104 LYS H 1 107 ARG O 2.500 . 2.500 1.967 1.784 2.072 . 0 0 "[ . 1 . 2]" 3
89 1 104 LYS N 1 107 ARG O 3.500 . 3.500 2.660 2.590 2.712 . 0 0 "[ . 1 . 2]" 3
90 1 102 ARG O 1 109 LEU H 2.500 . 2.500 2.510 2.492 2.527 0.027 3 0 "[ . 1 . 2]" 3
91 1 102 ARG O 1 109 LEU N 3.500 . 3.500 3.035 2.856 3.321 . 0 0 "[ . 1 . 2]" 3
92 1 100 ALA O 1 111 MET H 2.500 . 2.500 1.848 1.728 1.956 . 0 0 "[ . 1 . 2]" 3
93 1 100 ALA O 1 111 MET N 3.500 . 3.500 2.710 2.594 2.815 . 0 0 "[ . 1 . 2]" 3
94 1 19 ALA O 1 112 MET H 2.500 . 2.500 2.047 1.677 2.375 . 0 0 "[ . 1 . 2]" 3
95 1 19 ALA O 1 112 MET N 3.500 . 3.500 2.847 2.547 3.081 . 0 0 "[ . 1 . 2]" 3
96 1 98 ILE O 1 113 ARG H 2.500 . 2.500 2.382 2.223 2.517 0.017 12 0 "[ . 1 . 2]" 3
97 1 98 ILE O 1 113 ARG N 3.500 . 3.500 3.315 3.156 3.447 . 0 0 "[ . 1 . 2]" 3
98 1 17 ALA O 1 114 LEU H 2.500 . 2.500 1.765 1.465 2.540 0.040 11 0 "[ . 1 . 2]" 3
99 1 17 ALA O 1 114 LEU N 3.500 . 3.500 2.699 2.377 3.493 . 0 0 "[ . 1 . 2]" 3
100 1 96 ALA O 1 115 TYR H 2.500 . 2.500 2.137 1.666 2.405 . 0 0 "[ . 1 . 2]" 3
101 1 96 ALA O 1 115 TYR N 3.500 . 3.500 3.098 2.627 3.378 . 0 0 "[ . 1 . 2]" 3
102 1 14 TYR O 1 116 SER H 2.500 . 2.500 2.048 1.642 2.504 0.004 18 0 "[ . 1 . 2]" 3
103 1 14 TYR O 1 116 SER N 3.500 . 3.500 2.927 2.553 3.354 . 0 0 "[ . 1 . 2]" 3
104 1 94 SER O 1 117 ARG H 2.500 . 2.500 2.164 1.679 2.509 0.009 19 0 "[ . 1 . 2]" 3
105 1 94 SER O 1 117 ARG N 3.500 . 3.500 3.063 2.545 3.444 . 0 0 "[ . 1 . 2]" 3
106 1 132 LEU O 1 136 ARG H 2.500 . 2.500 2.522 2.509 2.530 0.030 11 0 "[ . 1 . 2]" 3
107 1 132 LEU O 1 136 ARG N 3.500 . 3.500 3.185 3.100 3.299 . 0 0 "[ . 1 . 2]" 3
108 1 131 LYS O 1 135 GLU H 2.500 . 2.500 2.256 2.055 2.497 . 0 0 "[ . 1 . 2]" 3
109 1 131 LYS O 1 135 GLU N 3.500 . 3.500 3.135 2.962 3.373 . 0 0 "[ . 1 . 2]" 3
110 1 130 ARG O 1 134 GLY H 2.500 . 2.500 1.805 1.679 1.997 . 0 0 "[ . 1 . 2]" 3
111 1 130 ARG O 1 134 GLY N 3.500 . 3.500 2.665 2.548 2.901 . 0 0 "[ . 1 . 2]" 3
112 1 129 PHE O 1 133 ALA H 2.500 . 2.500 2.252 2.015 2.397 . 0 0 "[ . 1 . 2]" 3
113 1 129 PHE O 1 133 ALA N 3.500 . 3.500 3.181 2.937 3.276 . 0 0 "[ . 1 . 2]" 3
114 1 128 ILE O 1 132 LEU H 2.500 . 2.500 2.355 2.048 2.514 0.014 7 0 "[ . 1 . 2]" 3
115 1 128 ILE O 1 132 LEU N 3.500 . 3.500 3.302 3.025 3.445 . 0 0 "[ . 1 . 2]" 3
116 1 127 ALA O 1 131 LYS H 2.500 . 2.500 2.012 1.711 2.204 . 0 0 "[ . 1 . 2]" 3
117 1 127 ALA O 1 131 LYS N 3.500 . 3.500 2.927 2.668 3.115 . 0 0 "[ . 1 . 2]" 3
118 1 126 THR O 1 130 ARG H 2.500 . 2.500 2.337 2.011 2.521 0.021 10 0 "[ . 1 . 2]" 3
119 1 126 THR O 1 130 ARG N 3.500 . 3.500 3.134 2.827 3.308 . 0 0 "[ . 1 . 2]" 3
120 1 125 ALA O 1 129 PHE H 2.500 . 2.500 2.451 2.373 2.506 0.006 20 0 "[ . 1 . 2]" 3
121 1 125 ALA O 1 129 PHE N 3.500 . 3.500 3.286 3.208 3.354 . 0 0 "[ . 1 . 2]" 3
122 1 124 ALA O 1 128 ILE H 2.500 . 2.500 1.845 1.777 1.972 . 0 0 "[ . 1 . 2]" 3
123 1 124 ALA O 1 128 ILE N 3.500 . 3.500 2.814 2.741 2.939 . 0 0 "[ . 1 . 2]" 3
124 1 123 PRO O 1 127 ALA H 2.500 . 2.500 2.240 1.977 2.455 . 0 0 "[ . 1 . 2]" 3
125 1 123 PRO O 1 127 ALA N 3.500 . 3.500 3.067 2.799 3.256 . 0 0 "[ . 1 . 2]" 3
126 1 18 LEU O 1 144 ALA H 2.500 . 2.500 2.246 1.916 2.507 0.007 15 0 "[ . 1 . 2]" 3
127 1 18 LEU O 1 144 ALA N 3.500 . 3.500 3.152 2.849 3.306 . 0 0 "[ . 1 . 2]" 3
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