NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430719 |
2jop   |
15189 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jop
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 297
_Distance_constraint_stats_list.Viol_count 403
_Distance_constraint_stats_list.Viol_total 1563.746
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0776
_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 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 TRP 0.030 0.021 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.973 0.082 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 PRO 0.109 0.025 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ARG 0.639 0.146 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LEU 0.063 0.063 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 THR 0.050 0.019 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 LYS 0.012 0.012 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 LEU 0.175 0.030 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 61 TRP 0.043 0.016 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 SER 0.031 0.031 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 68 TRP 0.046 0.026 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 71 PRO 13.090 0.268 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 GLN 4.665 0.145 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 76 LYS 0.012 0.012 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 VAL 2.915 0.144 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 80 ARG 0.415 0.053 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 LEU 2.350 0.263 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 87 LEU 3.596 0.111 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 92 PHE 0.007 0.007 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 93 LEU 0.014 0.014 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 95 THR 0.171 0.065 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 96 TYR 0.223 0.053 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 104 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 105 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 108 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 111 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 112 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 114 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 118 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 121 MET 0.728 0.263 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 122 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 124 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 127 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 128 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 129 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 130 LEU 0.918 0.065 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 131 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 23 LEU HA 1 23 LEU MD1 3.500 . 4.000 3.631 1.953 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 23 LEU HA 1 23 LEU MD2 4.000 . 5.000 2.437 1.955 3.831 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 23 LEU H 1 23 LEU QB 3.500 . 4.000 2.714 2.280 3.470 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 23 LEU H 1 23 LEU MD2 4.000 . 5.000 3.487 1.871 4.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 24 SER H 1 24 SER HB3 4.000 . 5.000 3.391 2.806 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 24 SER H 1 24 SER HB2 4.000 . 5.000 3.653 2.518 3.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 25 TRP HB3 1 25 TRP HE3 4.000 . 5.000 3.067 2.476 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 25 TRP HB2 1 25 TRP HE3 4.000 . 5.000 2.764 2.493 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 25 TRP H 1 25 TRP HB3 4.000 . 5.000 2.723 2.587 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 25 TRP H 1 25 TRP HD1 4.000 . 5.000 2.043 1.779 2.881 0.021 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 26 TYR HA 1 26 TYR QD 4.000 . 5.000 3.745 3.699 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 26 TYR H 1 26 TYR HB3 3.500 . 4.000 3.197 2.695 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 26 TYR H 1 26 TYR HB2 4.000 . 5.000 3.754 3.659 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 27 ASP H 1 27 ASP HB3 3.000 . 3.500 3.041 2.484 3.582 0.082 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 27 ASP H 1 27 ASP HB2 3.500 . 4.000 2.461 2.155 2.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 28 PRO HB2 1 28 PRO HD3 4.000 . 5.000 3.888 3.836 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 28 PRO HB2 1 28 PRO HD2 4.000 . 5.000 3.405 2.887 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 28 PRO HA 1 28 PRO HG3 3.500 . 4.000 3.439 2.908 4.025 0.025 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 28 PRO HA 1 28 PRO HG2 4.000 . 5.000 3.913 3.846 4.001 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 29 ASP H 1 29 ASP QB 3.500 . 4.000 2.488 2.255 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 30 PHE HA 1 30 PHE QD 4.000 . 5.000 2.721 2.034 3.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 30 PHE H 1 30 PHE HB3 3.500 . 4.000 2.609 2.418 3.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 30 PHE H 1 30 PHE HB2 3.500 . 4.000 2.565 2.172 2.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 30 PHE H 1 30 PHE QD 4.000 . 5.000 4.177 3.775 4.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 31 GLN HA 1 31 GLN HG3 4.000 . 5.000 2.743 2.278 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 31 GLN HA 1 31 GLN HG2 4.000 . 5.000 3.197 2.540 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 31 GLN H 1 31 GLN HG3 4.000 . 5.000 3.927 2.241 4.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 31 GLN H 1 31 GLN HG2 4.000 . 5.000 4.091 2.464 4.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 33 ARG HA 1 33 ARG HD3 4.000 . 5.000 4.857 4.491 5.146 0.146 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 33 ARG HA 1 33 ARG HG3 4.000 . 5.000 3.806 3.588 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 33 ARG HB3 1 33 ARG HD3 4.000 . 5.000 3.068 2.452 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 33 ARG HB3 1 33 ARG HD2 4.000 . 5.000 3.417 2.630 4.006 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 33 ARG HB2 1 33 ARG HD2 4.000 . 5.000 3.378 2.453 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 33 ARG H 1 33 ARG HB3 3.500 . 4.000 3.492 3.338 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 33 ARG H 1 33 ARG HB2 4.000 . 5.000 4.056 3.943 4.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 33 ARG H 1 33 ARG HG3 4.000 . 5.000 3.607 2.723 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 33 ARG H 1 33 ARG HG2 4.000 . 5.000 3.018 2.547 3.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 34 LEU HA 1 34 LEU MD1 3.500 . 4.000 3.906 3.597 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 34 LEU HA 1 34 LEU MD2 3.000 . 3.500 2.284 2.074 3.563 0.063 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 34 LEU HA 1 34 LEU HG 4.000 . 5.000 3.107 2.675 3.440 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 34 LEU H 1 34 LEU HB3 4.000 . 5.000 3.664 3.595 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 34 LEU H 1 34 LEU HB2 3.000 . 3.500 2.631 2.550 2.923 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 34 LEU H 1 34 LEU MD2 4.000 . 5.000 3.503 2.907 4.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 34 LEU H 1 34 LEU HG 3.500 . 4.000 2.344 1.969 3.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 35 THR HA 1 35 THR MG 3.500 . 4.000 2.302 2.146 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 35 THR H 1 35 THR HB 4.000 . 5.000 3.659 3.137 3.887 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 35 THR H 1 35 THR MG 3.500 . 4.000 2.913 1.935 4.019 0.019 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 36 ARG HA 1 36 ARG HG3 4.000 . 5.000 3.420 2.265 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 36 ARG H 1 36 ARG HG3 4.000 . 5.000 3.639 2.550 4.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 39 SER H 1 39 SER HB3 4.000 . 5.000 3.215 2.477 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 39 SER H 1 39 SER HB2 3.500 . 4.000 2.890 2.464 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 40 LYS H 1 40 LYS QB 3.500 . 4.000 2.550 2.326 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 40 LYS H 1 40 LYS QG 4.000 . 5.000 2.117 1.788 3.166 0.012 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 42 GLN H 1 42 GLN HB3 4.000 . 5.000 3.279 2.912 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 42 GLN H 1 42 GLN HB2 4.000 . 5.000 3.309 2.807 3.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 44 GLN H 1 44 GLN HB3 4.000 . 5.000 3.473 2.565 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 44 GLN H 1 44 GLN HB2 3.500 . 4.000 2.460 2.229 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 45 LEU HA 1 45 LEU MD2 3.500 . 4.000 3.752 1.854 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 45 LEU HA 1 45 LEU HG 4.000 . 5.000 3.133 3.013 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 45 LEU HA 1 45 LEU MD1 3.500 . 4.000 2.111 1.983 2.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 45 LEU H 1 45 LEU HB3 4.000 . 5.000 2.518 2.388 2.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 45 LEU H 1 45 LEU HB2 3.500 . 4.000 2.600 2.323 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 46 GLU HA 1 46 GLU HG3 3.500 . 4.000 2.545 2.330 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 46 GLU HA 1 46 GLU HG2 4.000 . 5.000 3.092 2.975 3.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 46 GLU H 1 46 GLU HB3 4.000 . 5.000 2.657 2.497 2.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 46 GLU H 1 46 GLU HB2 4.000 . 5.000 2.981 2.720 3.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 47 VAL HA 1 47 VAL MG1 3.500 . 4.000 2.248 2.130 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 47 VAL HA 1 47 VAL MG2 3.500 . 4.000 3.049 2.308 3.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 47 VAL H 1 47 VAL HB 4.000 . 5.000 3.535 2.751 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 47 VAL H 1 47 VAL QG 3.500 . 4.000 2.083 1.881 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 48 TYR HA 1 48 TYR QD 4.000 . 5.000 2.393 1.942 2.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 48 TYR H 1 48 TYR HB3 4.000 . 5.000 2.527 2.362 2.634 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 48 TYR H 1 48 TYR HB2 4.000 . 5.000 2.758 2.634 2.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 48 TYR H 1 48 TYR QD 4.000 . 5.000 4.246 4.185 4.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 49 LEU HA 1 49 LEU MD1 4.000 . 5.000 3.745 3.465 4.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 49 LEU HA 1 49 LEU MD2 3.500 . 4.000 3.732 3.338 4.030 0.030 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 49 LEU HB3 1 49 LEU MD1 3.000 . 3.500 2.775 2.466 3.167 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 49 LEU HB3 1 49 LEU MD2 3.000 . 3.500 2.560 2.123 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 49 LEU H 1 49 LEU HB3 4.000 . 5.000 3.298 3.048 3.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 49 LEU H 1 49 LEU HB2 4.000 . 5.000 3.829 3.490 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 49 LEU H 1 49 LEU QD 4.000 . 5.000 2.354 1.771 3.300 0.029 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 50 LYS H 1 50 LYS QB 3.500 . 4.000 3.092 2.449 3.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 50 LYS H 1 50 LYS QG 4.000 . 5.000 3.792 2.138 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 51 ASP H 1 51 ASP HB3 4.000 . 5.000 3.417 2.638 3.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 51 ASP H 1 51 ASP HB2 4.000 . 5.000 4.088 3.696 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 53 TRP HA 1 53 TRP HE3 4.000 . 5.000 2.770 2.389 3.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 53 TRP HB3 1 53 TRP HE3 4.000 . 5.000 2.774 2.595 3.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 53 TRP HB2 1 53 TRP HE3 4.000 . 5.000 4.177 4.122 4.227 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 53 TRP H 1 53 TRP HB3 3.500 . 4.000 3.526 3.447 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 53 TRP H 1 53 TRP HB2 4.000 . 5.000 2.242 2.167 2.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 53 TRP H 1 53 TRP HD1 4.000 . 5.000 3.311 2.854 3.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 54 HIS H 1 54 HIS HB3 4.000 . 5.000 3.533 3.468 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 54 HIS H 1 54 HIS HB2 4.000 . 5.000 2.254 2.166 2.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 55 MET HA 1 55 MET HG2 4.000 . 5.000 3.190 2.278 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 55 MET HA 1 55 MET HG3 4.000 . 5.000 2.916 2.451 3.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 55 MET H 1 55 MET HB3 4.000 . 5.000 3.292 2.456 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 55 MET H 1 55 MET HB2 4.000 . 5.000 2.695 2.154 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 55 MET H 1 55 MET HG2 4.000 . 5.000 3.605 1.881 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 56 VAL HA 1 56 VAL MG1 3.500 . 4.000 2.555 2.374 3.213 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 56 VAL HA 1 56 VAL MG2 3.500 . 4.000 3.059 2.269 3.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 56 VAL H 1 56 VAL HB 3.500 . 4.000 3.563 2.698 3.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 56 VAL H 1 56 VAL MG1 4.000 . 5.000 2.276 2.027 2.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 56 VAL H 1 56 VAL MG2 4.000 . 5.000 2.398 2.017 3.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 57 CYS H 1 57 CYS HB3 4.000 . 5.000 2.844 2.278 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 57 CYS H 1 57 CYS HB2 4.000 . 5.000 3.604 3.481 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 58 SER H 1 58 SER HB3 4.000 . 5.000 3.936 2.642 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 59 GLN HA 1 59 GLN HG2 4.000 . 5.000 4.110 3.595 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 59 GLN HA 1 59 GLN HG3 4.000 . 5.000 3.693 3.573 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 60 SER H 1 60 SER HB3 4.000 . 5.000 3.560 3.534 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 60 SER H 1 60 SER HB2 4.000 . 5.000 2.543 2.447 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 61 TRP HA 1 61 TRP HD1 4.000 . 5.000 3.074 2.874 3.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 61 TRP HB3 1 61 TRP HE3 4.000 . 5.000 4.093 4.010 4.158 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 61 TRP HB2 1 61 TRP HE3 4.000 . 5.000 2.545 2.462 2.633 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 61 TRP H 1 61 TRP HD1 4.000 . 5.000 4.810 4.559 5.016 0.016 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 61 TRP H 1 61 TRP HE3 4.000 . 5.000 3.844 3.502 4.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 63 ARG HA 1 63 ARG HD3 4.000 . 5.000 4.046 1.800 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 63 ARG HA 1 63 ARG QG 3.500 . 4.000 2.685 2.335 3.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 63 ARG HA 1 63 ARG HD2 4.000 . 5.000 3.376 1.903 4.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 63 ARG H 1 63 ARG HB3 4.000 . 5.000 3.873 3.494 4.111 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 63 ARG H 1 63 ARG HB2 3.500 . 4.000 2.995 2.200 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 63 ARG H 1 63 ARG QG 4.000 . 5.000 2.972 2.574 3.944 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 64 SER H 1 64 SER HB3 3.500 . 4.000 3.269 2.492 4.031 0.031 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 64 SER H 1 64 SER HB2 3.500 . 4.000 2.793 2.475 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 66 LYS H 1 66 LYS HB3 4.000 . 5.000 3.254 2.319 4.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 66 LYS H 1 66 LYS HB2 4.000 . 5.000 2.837 2.368 3.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 66 LYS H 1 66 LYS QG 4.000 . 5.000 3.358 2.227 4.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 67 GLN H 1 67 GLN QB 3.500 . 4.000 2.839 2.212 3.418 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 67 GLN H 1 67 GLN QG 4.000 . 5.000 3.232 1.903 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 68 TRP HA 1 68 TRP HE3 4.000 . 5.000 3.440 1.836 5.026 0.026 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 68 TRP HA 1 68 TRP HD1 4.000 . 5.000 3.865 2.198 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 68 TRP HB2 1 68 TRP HE3 4.000 . 5.000 3.848 2.465 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 68 TRP HB3 1 68 TRP HE3 4.000 . 5.000 2.797 2.403 4.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 68 TRP H 1 68 TRP HB3 4.000 . 5.000 3.844 3.536 4.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 68 TRP H 1 68 TRP HB2 4.000 . 5.000 2.906 2.252 3.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 68 TRP H 1 68 TRP HD1 4.000 . 5.000 3.490 2.281 4.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 69 GLU H 1 69 GLU HB3 4.000 . 5.000 3.059 2.408 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 69 GLU H 1 69 GLU QG 4.000 . 5.000 3.370 1.840 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 70 ASP H 1 70 ASP HB3 4.000 . 5.000 2.825 2.229 3.317 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 70 ASP H 1 70 ASP HB2 4.000 . 5.000 3.231 2.522 3.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 71 PRO HA 1 71 PRO HG3 3.500 . 4.000 3.670 2.634 4.072 0.072 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 71 PRO HA 1 71 PRO HG2 3.000 . 3.500 3.720 3.683 3.768 0.268 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 71 PRO HB2 1 71 PRO HD3 4.000 . 5.000 3.920 3.767 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 73 GLN H 1 73 GLN HB3 3.500 . 4.000 3.942 3.594 4.117 0.117 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 73 GLN H 1 73 GLN HB2 3.000 . 3.500 3.247 2.383 3.645 0.145 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 75 SER H 1 75 SER QB 3.000 . 3.500 2.498 2.206 2.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 76 LYS HA 1 76 LYS HG3 4.000 . 5.000 3.227 2.585 3.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 76 LYS HA 1 76 LYS HG2 4.000 . 5.000 3.331 2.238 3.839 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 76 LYS HA 1 76 LYS QD 3.500 . 4.000 2.386 1.788 3.592 0.012 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 76 LYS H 1 76 LYS QB 3.000 . 3.500 2.217 2.050 2.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 76 LYS H 1 76 LYS QG 4.000 . 5.000 3.909 2.313 4.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 77 VAL H 1 77 VAL HB 3.000 . 3.500 3.006 2.436 3.644 0.144 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 77 VAL H 1 77 VAL MG1 3.500 . 4.000 3.062 1.917 3.784 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 77 VAL H 1 77 VAL MG2 4.000 . 5.000 2.147 1.941 2.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 78 CYS H 1 78 CYS HB3 3.500 . 4.000 3.644 3.604 3.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 78 CYS H 1 78 CYS HB2 4.000 . 5.000 2.546 2.409 2.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 79 GLN HA 1 79 GLN HG3 4.000 . 5.000 2.683 2.427 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 79 GLN HA 1 79 GLN HG2 4.000 . 5.000 3.160 2.432 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 79 GLN H 1 79 GLN QB 3.000 . 3.500 2.256 2.184 2.442 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 80 ARG HA 1 80 ARG QD 4.000 . 5.000 3.632 2.035 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 80 ARG HA 1 80 ARG QG 3.500 . 4.000 2.668 2.329 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 80 ARG H 1 80 ARG QB 2.500 . 3.000 2.334 2.148 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 80 ARG H 1 80 ARG QG 3.500 . 4.000 3.154 1.978 4.053 0.053 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 81 LEU HA 1 81 LEU MD1 3.500 . 4.000 3.387 1.855 3.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 81 LEU HA 1 81 LEU MD2 3.000 . 3.500 2.567 1.987 3.763 0.263 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 81 LEU HA 1 81 LEU HG 3.000 . 3.500 2.944 2.230 3.639 0.139 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 81 LEU QB 1 81 LEU MD1 2.500 . 3.000 2.153 2.074 2.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 81 LEU QB 1 81 LEU MD2 3.000 . 3.500 2.220 2.051 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 81 LEU H 1 81 LEU QB 2.500 . 3.000 2.368 2.163 2.460 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 81 LEU H 1 81 LEU MD1 4.000 . 5.000 3.512 2.448 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 81 LEU H 1 81 LEU MD2 4.000 . 5.000 3.750 2.649 4.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 82 ASN H 1 82 ASN HB3 4.000 . 5.000 3.020 2.798 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 82 ASN H 1 82 ASN HB2 4.000 . 5.000 3.973 3.757 4.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 83 CYS H 1 83 CYS HB3 3.500 . 4.000 3.658 2.891 3.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 83 CYS H 1 83 CYS HB2 4.000 . 5.000 2.501 2.413 2.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 85 ASP H 1 85 ASP HB3 3.500 . 4.000 3.547 3.452 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 85 ASP H 1 85 ASP HB2 4.000 . 5.000 2.300 2.149 2.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 86 PRO HA 1 86 PRO HG3 4.000 . 5.000 3.983 3.952 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 86 PRO HA 1 86 PRO HG2 4.000 . 5.000 3.846 3.798 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 86 PRO HB3 1 86 PRO HD3 4.000 . 5.000 3.080 2.983 3.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 86 PRO HB2 1 86 PRO HD3 4.000 . 5.000 3.958 3.918 4.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 86 PRO HB3 1 86 PRO HD2 4.000 . 5.000 3.891 3.854 3.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 86 PRO HB2 1 86 PRO HD2 4.000 . 5.000 3.998 3.929 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 87 LEU HA 1 87 LEU HG 3.500 . 4.000 3.403 2.811 3.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 87 LEU HA 1 87 LEU MD2 3.500 . 4.000 4.051 3.844 4.111 0.111 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 87 LEU H 1 87 LEU HB3 4.000 . 5.000 3.059 2.833 3.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 87 LEU H 1 87 LEU HB2 4.000 . 5.000 3.441 3.352 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 87 LEU H 1 87 LEU QD 4.000 . 5.000 1.885 1.705 2.316 0.095 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 89 LEU HA 1 89 LEU MD2 4.000 . 5.000 2.515 1.872 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 89 LEU HA 1 89 LEU HG 4.000 . 5.000 2.675 2.231 3.124 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 89 LEU H 1 89 LEU HB3 4.000 . 5.000 3.300 2.587 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 89 LEU H 1 89 LEU HB2 4.000 . 5.000 2.375 2.156 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 92 PHE HA 1 92 PHE QD 4.000 . 5.000 2.336 1.793 3.160 0.007 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 92 PHE H 1 92 PHE HB3 4.000 . 5.000 2.675 2.419 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 92 PHE H 1 92 PHE HB2 4.000 . 5.000 2.771 2.377 3.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 92 PHE H 1 92 PHE QD 4.000 . 5.000 4.273 4.156 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 93 LEU HA 1 93 LEU MD1 4.000 . 5.000 3.259 1.847 4.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 93 LEU HA 1 93 LEU MD2 4.000 . 5.000 3.246 1.834 4.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 93 LEU H 1 93 LEU HG 4.000 . 5.000 3.314 1.786 4.719 0.014 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 94 LYS H 1 94 LYS HB3 4.000 . 5.000 3.014 2.361 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 94 LYS H 1 94 LYS HB2 4.000 . 5.000 3.023 2.315 3.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 94 LYS H 1 94 LYS QG 4.000 . 5.000 3.336 1.837 4.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 95 THR H 1 95 THR HB 3.500 . 4.000 3.069 2.532 4.065 0.065 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 95 THR H 1 95 THR MG 4.000 . 5.000 3.380 2.024 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 96 TYR HA 1 96 TYR QD 4.000 . 5.000 3.362 2.279 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 96 TYR H 1 96 TYR HB3 4.000 . 5.000 3.017 2.175 4.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 96 TYR H 1 96 TYR HB2 4.000 . 5.000 3.290 2.278 3.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 96 TYR H 1 96 TYR QD 4.000 . 5.000 2.802 1.747 4.560 0.053 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 97 THR H 1 97 THR HB 4.000 . 5.000 3.098 2.577 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 97 THR H 1 97 THR MG 4.000 . 5.000 3.369 2.235 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 99 GLN H 1 99 GLN QG 4.000 . 5.000 4.058 2.353 4.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 101 SER H 1 101 SER QB 3.500 . 4.000 2.529 2.282 2.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 102 ILE HA 1 102 ILE MD 4.000 . 5.000 3.624 3.545 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 102 ILE HA 1 102 ILE MG 3.500 . 4.000 2.258 2.204 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 102 ILE HB 1 102 ILE MD 3.500 . 4.000 2.367 2.315 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 102 ILE HA 1 102 ILE HG13 4.000 . 5.000 3.596 3.545 3.646 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 102 ILE MD 1 102 ILE MG 3.000 . 3.500 3.217 3.173 3.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 102 ILE H 1 102 ILE HG13 3.500 . 4.000 2.198 2.000 2.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 102 ILE H 1 102 ILE HG12 4.000 . 5.000 3.795 3.646 4.006 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 102 ILE H 1 102 ILE MG 4.000 . 5.000 3.266 3.008 3.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 103 ILE HA 1 103 ILE MD 4.000 . 5.000 3.853 3.801 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 103 ILE HA 1 103 ILE HG12 4.000 . 5.000 2.565 2.475 2.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 103 ILE HA 1 103 ILE MG 3.500 . 4.000 2.401 2.330 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 103 ILE HA 1 103 ILE HG13 4.000 . 5.000 3.033 2.863 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 103 ILE HB 1 103 ILE MD 3.500 . 4.000 2.405 2.315 2.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 103 ILE MD 1 103 ILE MG 2.500 . 3.000 1.946 1.887 2.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 103 ILE H 1 103 ILE HB 4.000 . 5.000 2.629 2.507 2.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 103 ILE H 1 103 ILE HG12 4.000 . 5.000 3.969 3.712 4.111 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 103 ILE H 1 103 ILE MG 4.000 . 5.000 3.835 3.786 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 104 CYS H 1 104 CYS HB3 4.000 . 5.000 3.679 3.597 3.764 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 104 CYS H 1 104 CYS HB2 4.000 . 5.000 2.756 2.595 2.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 105 TYR HA 1 105 TYR QD 4.000 . 5.000 2.764 2.484 3.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 105 TYR H 1 105 TYR HB3 4.000 . 5.000 3.803 3.603 4.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 105 TYR H 1 105 TYR HB2 4.000 . 5.000 2.724 2.409 3.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 105 TYR H 1 105 TYR QD 4.000 . 5.000 3.343 2.050 3.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 107 GLN H 1 107 GLN QB 2.500 . 3.000 2.409 2.264 2.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 107 GLN H 1 107 GLN QG 4.000 . 5.000 3.397 2.133 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 108 LEU HA 1 108 LEU MD1 4.000 . 5.000 2.173 1.974 3.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 108 LEU HA 1 108 LEU HG 4.000 . 5.000 3.153 2.951 3.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 108 LEU H 1 108 LEU HB3 3.000 . 3.500 2.603 2.451 3.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 108 LEU H 1 108 LEU HB2 3.000 . 3.500 2.482 2.311 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 108 LEU H 1 108 LEU MD1 4.000 . 5.000 4.060 3.893 4.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 108 LEU H 1 108 LEU MD2 4.000 . 5.000 4.249 3.890 4.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 108 LEU H 1 108 LEU HG 4.000 . 5.000 4.515 4.437 4.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 110 SER H 1 110 SER HB3 4.000 . 5.000 3.445 2.516 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 110 SER H 1 110 SER HB2 3.500 . 4.000 2.752 2.404 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 111 PHE HA 1 111 PHE QD 4.000 . 5.000 2.940 2.653 3.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 111 PHE H 1 111 PHE HB3 4.000 . 5.000 3.578 3.536 3.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 111 PHE H 1 111 PHE HB2 4.000 . 5.000 2.332 2.258 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 111 PHE H 1 111 PHE QD 4.000 . 5.000 2.132 1.868 2.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 112 SER H 1 112 SER QB 3.500 . 4.000 2.556 2.248 2.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 113 ASN H 1 113 ASN HB3 4.000 . 5.000 3.213 2.591 3.865 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 113 ASN H 1 113 ASN HB2 4.000 . 5.000 3.342 2.379 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 114 CYS H 1 114 CYS HB3 4.000 . 5.000 3.708 3.030 3.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 114 CYS H 1 114 CYS HB2 3.500 . 4.000 2.899 2.561 3.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 117 SER H 1 117 SER QB 3.500 . 4.000 2.418 2.225 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 118 ARG H 1 118 ARG HB3 4.000 . 5.000 3.197 2.485 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 119 ASN H 1 119 ASN HB3 4.000 . 5.000 3.370 2.366 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 119 ASN H 1 119 ASN HB2 4.000 . 5.000 3.008 2.332 3.759 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 121 MET HA 1 121 MET HG3 4.000 . 5.000 3.537 2.535 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 121 MET HA 1 121 MET HG2 4.000 . 5.000 3.270 2.406 3.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 121 MET H 1 121 MET HB3 4.000 . 5.000 3.478 2.482 4.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 121 MET H 1 121 MET HB2 4.000 . 5.000 3.296 2.338 3.989 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 121 MET H 1 121 MET HG3 4.000 . 5.000 3.714 2.903 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 121 MET H 1 121 MET HG2 4.000 . 5.000 3.154 2.132 5.263 0.263 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 122 CYS H 1 122 CYS HB3 4.000 . 5.000 2.970 2.343 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 122 CYS H 1 122 CYS HB2 4.000 . 5.000 3.557 3.438 4.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 124 SER H 1 124 SER HB3 4.000 . 5.000 3.453 2.764 4.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 124 SER H 1 124 SER HB2 4.000 . 5.000 3.722 2.579 4.040 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 125 LEU HA 1 125 LEU MD2 3.500 . 4.000 2.575 1.838 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 125 LEU HA 1 125 LEU HG 3.500 . 4.000 3.333 2.474 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 125 LEU HA 1 125 LEU MD1 4.000 . 5.000 2.793 1.860 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 125 LEU H 1 125 LEU HB3 3.500 . 4.000 3.394 2.520 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 125 LEU H 1 125 LEU HB2 4.000 . 5.000 2.402 2.081 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 125 LEU H 1 125 LEU MD1 4.000 . 5.000 3.779 2.138 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 127 LEU HA 1 127 LEU MD1 4.000 . 5.000 3.830 3.787 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 127 LEU HA 1 127 LEU HG 4.000 . 5.000 2.715 2.611 2.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 127 LEU HA 1 127 LEU MD2 3.500 . 4.000 2.075 1.899 2.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 127 LEU H 1 127 LEU HB3 4.000 . 5.000 3.656 3.486 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 127 LEU H 1 127 LEU HB2 3.500 . 4.000 2.586 2.211 2.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 127 LEU H 1 127 LEU MD1 4.000 . 5.000 4.190 3.717 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 128 THR HA 1 128 THR MG 3.500 . 4.000 2.809 2.483 3.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 128 THR H 1 128 THR HB 4.000 . 5.000 2.860 2.263 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 128 THR H 1 128 THR MG 4.000 . 5.000 3.230 2.158 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 129 CYS H 1 129 CYS HB3 4.000 . 5.000 3.599 3.568 3.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 129 CYS H 1 129 CYS HB2 4.000 . 5.000 2.503 2.404 2.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 130 LEU HA 1 130 LEU QD 3.500 . 4.000 2.285 1.823 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 130 LEU HA 1 130 LEU HG 3.500 . 4.000 3.213 2.521 3.701 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 130 LEU HA 1 130 LEU MD1 3.500 . 4.000 2.544 2.167 3.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 130 LEU HA 1 130 LEU MD2 4.000 . 5.000 3.617 1.854 3.986 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 130 LEU QB 1 130 LEU MD2 3.000 . 3.500 2.146 2.083 2.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 130 LEU H 1 130 LEU QB 2.500 . 3.000 2.989 2.301 3.065 0.065 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 130 LEU H 1 130 LEU QD 4.000 . 5.000 3.945 3.654 4.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 131 GLU HA 1 131 GLU HG3 4.000 . 5.000 3.727 3.615 4.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 131 GLU HA 1 131 GLU HG2 4.000 . 5.000 3.862 3.634 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 131 GLU H 1 131 GLU HB3 4.000 . 5.000 3.289 2.547 3.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 131 GLU H 1 131 GLU HB2 4.000 . 5.000 3.879 3.610 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 131 GLU H 1 131 GLU QG 4.000 . 5.000 2.457 1.902 3.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 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 313
_Distance_constraint_stats_list.Viol_count 2454
_Distance_constraint_stats_list.Viol_total 7733.259
_Distance_constraint_stats_list.Viol_max 0.339
_Distance_constraint_stats_list.Viol_rms 0.0340
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0630
_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 22 ARG 2.599 0.142 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 LEU 1.524 0.094 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 SER 1.567 0.103 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 TRP 5.083 0.110 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 PRO 0.396 0.056 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 PHE 1.626 0.203 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 GLN 0.674 0.072 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 1.151 0.061 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ARG 11.601 0.312 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LEU 2.996 0.120 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 THR 1.363 0.092 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 SER 0.381 0.046 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 GLN 2.665 0.118 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLY 3.409 0.120 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 GLN 2.061 0.095 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 LEU 3.349 0.161 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 GLU 1.906 0.136 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 VAL 2.704 0.203 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 TYR 0.674 0.072 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 LEU 1.025 0.098 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 TRP 1.478 0.061 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 HIS 6.299 0.163 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 MET 1.171 0.094 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 VAL 5.355 0.161 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 CYS 11.843 0.279 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 SER 4.192 0.154 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 GLN 4.418 0.218 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 SER 3.779 0.146 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 61 TRP 10.393 0.163 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 62 GLY 0.552 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 67 GLN 0.661 0.064 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 71 PRO 2.557 0.119 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 SER 0.029 0.020 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 GLN 0.049 0.024 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 ALA 0.021 0.011 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 VAL 0.653 0.082 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 80 ARG 0.396 0.056 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 LEU 0.821 0.073 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 84 GLY 1.348 0.084 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 85 ASP 0.445 0.032 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 86 PRO 22.890 0.241 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 87 LEU 44.310 0.339 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 88 SER 0.748 0.064 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 89 LEU 6.704 0.138 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 90 GLY 0.503 0.064 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 91 PRO 3.003 0.140 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 92 PHE 1.223 0.065 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 96 TYR 1.962 0.107 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 THR 2.325 0.138 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 99 GLN 0.086 0.035 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 100 SER 0.075 0.052 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 SER 0.666 0.094 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 102 ILE 6.590 0.116 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ILE 16.975 0.279 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 104 CYS 3.688 0.115 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 105 TYR 4.618 0.150 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 106 GLY 0.132 0.035 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 108 LEU 0.613 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 109 GLY 2.111 0.110 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 110 SER 1.793 0.103 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 111 PHE 4.678 0.082 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 112 SER 3.820 0.142 12 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 114 CYS 2.622 0.116 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 115 SER 1.812 0.066 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 116 HIS 0.926 0.077 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 117 SER 2.619 0.138 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 123 HIS 2.845 0.140 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 124 SER 2.038 0.095 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 125 LEU 2.132 0.218 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 126 GLY 0.802 0.065 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 127 LEU 16.352 0.182 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 128 THR 13.164 0.313 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 129 CYS 10.728 0.241 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 130 LEU 18.559 0.339 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 22 ARG QG 1 112 SER HA 4.000 . 5.000 4.938 3.228 5.142 0.142 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
2 1 23 LEU HB3 1 111 PHE HB3 4.000 . 5.000 3.548 2.856 5.022 0.022 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
3 1 23 LEU HB3 1 111 PHE HB2 4.000 . 5.000 2.640 1.792 3.568 0.008 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
4 1 23 LEU HB2 1 111 PHE HB3 4.000 . 5.000 4.088 2.907 5.008 0.008 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
5 1 23 LEU HB2 1 111 PHE HB2 4.000 . 5.000 3.072 2.046 4.003 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
6 1 23 LEU MD1 1 111 PHE HB3 4.500 . 5.500 4.320 3.594 5.523 0.023 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
7 1 23 LEU MD1 1 111 PHE HB2 4.500 . 5.500 4.141 3.248 4.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
8 1 23 LEU MD1 1 30 PHE QD 5.000 . 6.000 4.640 1.777 5.753 0.023 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
9 1 23 LEU MD2 1 30 PHE QD 5.000 . 6.000 2.942 2.166 4.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
10 1 23 LEU MD1 1 30 PHE QE 5.000 . 6.000 3.715 2.111 4.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
11 1 23 LEU MD2 1 30 PHE HA 4.500 . 5.500 4.893 4.134 5.583 0.083 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
12 1 23 LEU MD2 1 112 SER HA 4.500 . 5.500 4.731 3.435 5.557 0.057 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
13 1 23 LEU MD2 1 112 SER QB 4.500 . 5.500 5.444 4.852 5.594 0.094 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
14 1 23 LEU QB 1 111 PHE H 4.000 . 5.000 3.273 2.392 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
15 1 24 SER HA 1 111 PHE QD 4.500 . 5.500 2.670 1.879 3.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
16 1 24 SER HA 1 110 SER HA 4.000 . 5.000 3.930 2.626 4.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
17 1 24 SER HB3 1 110 SER HA 4.000 . 5.000 3.919 2.932 5.013 0.013 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
18 1 24 SER HB2 1 110 SER HA 4.000 . 5.000 4.891 3.169 5.103 0.103 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
19 1 24 SER HA 1 111 PHE H 4.000 . 5.000 2.982 2.337 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
20 1 25 TRP HH2 1 45 LEU MD2 4.500 . 5.500 4.532 3.641 5.532 0.032 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
21 1 25 TRP HZ3 1 45 LEU MD2 4.500 . 5.500 2.666 1.965 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
22 1 25 TRP HZ3 1 74 ALA MB 4.500 . 5.500 3.246 2.487 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
23 1 25 TRP HZ3 1 89 LEU MD1 4.500 . 5.500 5.080 3.023 5.571 0.071 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
24 1 25 TRP HZ3 1 89 LEU MD2 4.500 . 5.500 5.080 4.293 5.603 0.103 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
25 1 25 TRP HB3 1 111 PHE QE 4.500 . 5.500 3.020 1.840 4.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
26 1 25 TRP HB2 1 111 PHE QE 4.500 . 5.500 4.269 3.540 5.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
27 1 25 TRP HB3 1 77 VAL MG1 4.500 . 5.500 4.787 3.041 5.556 0.056 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
28 1 25 TRP HB2 1 77 VAL MG1 4.500 . 5.500 3.670 2.350 4.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
29 1 25 TRP HE3 1 77 VAL MG1 4.500 . 5.500 4.593 3.784 5.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
30 1 25 TRP HE3 1 45 LEU MD2 4.500 . 5.500 2.586 2.038 4.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
31 1 25 TRP HH2 1 87 LEU MD2 4.500 . 5.500 5.510 5.125 5.602 0.102 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
32 1 25 TRP HZ2 1 108 LEU MD2 4.500 . 5.500 2.594 1.796 5.299 0.004 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
33 1 25 TRP HH2 1 108 LEU MD1 4.500 . 5.500 3.283 2.059 5.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
34 1 25 TRP HE1 1 109 GLY HA3 4.000 . 5.000 3.988 2.858 5.032 0.032 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
35 1 25 TRP HE1 1 109 GLY HA2 4.000 . 5.000 3.296 2.070 5.020 0.020 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
36 1 25 TRP HE1 1 111 PHE QE 4.500 . 5.500 4.107 3.604 5.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
37 1 25 TRP HE1 1 73 GLN QG 4.000 . 5.000 3.623 2.263 5.024 0.024 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
38 1 25 TRP H 1 109 GLY H 4.000 . 5.000 5.038 4.926 5.110 0.110 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
39 1 25 TRP H 1 111 PHE QD 4.500 . 5.500 3.495 3.119 4.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
40 1 28 PRO HA 1 80 ARG QD 4.000 . 5.000 4.385 3.022 5.056 0.056 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
41 1 30 PHE QE 1 47 VAL MG2 5.000 . 6.000 3.734 1.737 4.135 0.063 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
42 1 30 PHE HZ 1 47 VAL MG2 4.500 . 5.500 3.684 2.457 5.515 0.015 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
43 1 30 PHE QD 1 47 VAL HB 4.500 . 5.500 4.819 4.350 5.703 0.203 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
44 1 30 PHE QD 1 77 VAL MG1 5.000 . 6.000 4.247 2.235 5.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
45 1 30 PHE QE 1 47 VAL HB 4.500 . 5.500 2.764 2.075 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
46 1 30 PHE QE 1 47 VAL MG1 5.000 . 6.000 2.185 1.732 3.600 0.068 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
47 1 30 PHE HZ 1 47 VAL HB 4.000 . 5.000 2.736 1.776 5.084 0.084 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
48 1 30 PHE QE 1 77 VAL MG1 5.000 . 6.000 5.058 3.369 6.082 0.082 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
49 1 30 PHE QE 1 49 LEU MD2 5.000 . 6.000 3.881 2.682 5.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
50 1 31 GLN HB3 1 48 TYR HB3 4.000 . 5.000 2.853 1.801 3.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
51 1 31 GLN HB3 1 48 TYR HB2 3.500 . 4.000 3.406 2.825 4.018 0.018 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
52 1 31 GLN HB2 1 48 TYR HB3 4.000 . 5.000 2.824 1.755 4.606 0.045 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
53 1 31 GLN HB2 1 48 TYR HB2 4.000 . 5.000 3.893 2.464 5.072 0.072 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
54 1 32 ALA MB 1 45 LEU MD1 4.500 . 5.500 2.543 1.785 3.083 0.015 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
55 1 32 ALA MB 1 47 VAL HA 4.500 . 5.500 3.047 2.582 3.742 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
56 1 32 ALA MB 1 47 VAL HB 4.500 . 5.500 3.607 2.986 4.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
57 1 32 ALA MB 1 77 VAL MG1 5.000 . 6.000 2.089 1.782 2.693 0.018 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
58 1 32 ALA MB 1 77 VAL MG2 4.500 . 5.500 2.548 1.959 3.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
59 1 32 ALA HA 1 47 VAL HA 3.500 . 4.000 2.256 1.978 2.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
60 1 32 ALA HA 1 47 VAL MG2 4.500 . 5.500 4.503 2.551 5.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
61 1 32 ALA HA 1 53 TRP HH2 3.500 . 4.000 3.948 3.276 4.061 0.061 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
62 1 32 ALA H 1 53 TRP HZ3 4.000 . 5.000 4.640 3.986 5.029 0.029 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
63 1 33 ARG HA 1 81 LEU MD2 4.000 . 5.000 3.531 2.357 4.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
64 1 33 ARG HA 1 87 LEU MD1 4.500 . 5.500 5.722 5.654 5.812 0.312 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
65 1 33 ARG HA 1 87 LEU MD2 4.000 . 5.000 4.194 3.785 4.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
66 1 33 ARG HG3 1 46 GLU HB3 4.000 . 5.000 3.344 1.989 5.039 0.039 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
67 1 33 ARG HG2 1 46 GLU HB3 3.500 . 4.000 3.645 2.940 4.069 0.069 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
68 1 33 ARG H 1 53 TRP HZ3 4.000 . 5.000 3.336 2.752 3.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
69 1 33 ARG H 1 45 LEU MD1 4.500 . 5.500 2.855 2.185 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
70 1 33 ARG H 1 46 GLU HB3 4.000 . 5.000 3.965 3.446 4.376 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
71 1 33 ARG H 1 47 VAL QG 5.000 . 6.000 3.230 2.667 3.781 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
72 1 33 ARG H 1 47 VAL HA 4.000 . 5.000 3.387 3.004 3.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
73 1 34 LEU HA 1 45 LEU HA 4.000 . 5.000 2.632 2.309 2.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
74 1 34 LEU MD1 1 42 GLN HA 4.000 . 5.000 2.445 2.092 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
75 1 34 LEU MD2 1 42 GLN HA 4.500 . 5.500 3.897 2.024 4.490 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
76 1 34 LEU MD2 1 45 LEU HA 4.000 . 5.000 2.443 1.782 3.977 0.018 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
77 1 34 LEU HB3 1 43 GLY HA3 4.500 . 5.500 2.214 1.804 2.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
78 1 34 LEU HB3 1 43 GLY HA2 4.000 . 5.000 3.770 3.552 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
79 1 34 LEU HB2 1 43 GLY HA2 4.000 . 5.000 5.009 4.482 5.120 0.120 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
80 1 34 LEU MD2 1 45 LEU HB3 4.500 . 5.500 4.572 3.643 5.575 0.075 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
81 1 34 LEU HG 1 81 LEU MD2 4.500 . 5.500 4.999 3.280 5.573 0.073 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
82 1 34 LEU MD1 1 128 THR HA 4.500 . 5.500 2.785 2.180 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
83 1 34 LEU MD2 1 45 LEU MD1 4.500 . 5.500 2.801 2.055 4.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
84 1 34 LEU MD2 1 127 LEU HB2 4.000 . 5.000 2.710 2.131 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
85 1 34 LEU MD1 1 127 LEU HB2 4.500 . 5.500 4.485 3.648 5.527 0.027 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
86 1 34 LEU HG 1 81 LEU MD1 4.500 . 5.500 4.156 2.774 5.565 0.065 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
87 1 34 LEU HA 1 46 GLU H 4.000 . 5.000 2.843 2.513 3.277 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
88 1 34 LEU MD1 1 42 GLN H 4.500 . 5.500 2.312 1.939 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
89 1 34 LEU MD1 1 43 GLY H 4.500 . 5.500 2.480 2.048 4.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
90 1 34 LEU MD2 1 43 GLY H 4.500 . 5.500 2.962 2.000 3.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
91 1 34 LEU MD2 1 46 GLU H 4.500 . 5.500 3.738 3.163 5.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
92 1 35 THR MG 1 46 GLU HB2 4.500 . 5.500 2.631 1.718 4.423 0.082 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
93 1 35 THR MG 1 55 MET ME 5.000 . 6.000 4.841 2.062 6.047 0.047 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
94 1 35 THR MG 1 46 GLU HG2 4.500 . 5.500 4.017 3.536 5.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
95 1 35 THR H 1 46 GLU HB2 4.000 . 5.000 3.818 2.910 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
96 1 35 THR H 1 45 LEU HA 4.000 . 5.000 4.041 3.706 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
97 1 37 SER HB3 1 43 GLY HA3 3.500 . 4.000 3.628 2.449 4.046 0.046 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
98 1 37 SER HB2 1 43 GLY HA3 4.000 . 5.000 3.213 2.076 5.042 0.042 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
99 1 37 SER HB3 1 43 GLY HA2 4.000 . 5.000 3.286 1.925 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
100 1 37 SER HB2 1 43 GLY HA2 4.000 . 5.000 3.120 1.831 4.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
101 1 42 GLN QB 1 128 THR HA 3.500 . 4.000 3.671 3.011 4.038 0.038 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
102 1 42 GLN QG 1 128 THR HA 4.000 . 5.000 3.582 3.003 4.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
103 1 42 GLN HA 1 128 THR HA 3.000 . 3.500 2.013 1.789 2.173 0.011 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
104 1 42 GLN HA 1 128 THR MG 4.500 . 5.500 3.266 2.311 4.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
105 1 42 GLN QB 1 128 THR MG 4.000 . 5.000 3.143 1.780 4.241 0.020 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
106 1 42 GLN QG 1 128 THR MG 4.500 . 5.500 2.776 1.741 3.914 0.059 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
107 1 42 GLN HB3 1 128 THR HA 4.000 . 5.000 4.545 3.288 5.035 0.035 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
108 1 42 GLN HB2 1 128 THR HA 4.000 . 5.000 4.103 3.157 5.075 0.075 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
109 1 42 GLN HB3 1 128 THR MG 4.500 . 5.500 4.164 1.800 5.584 0.084 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
110 1 42 GLN HB2 1 128 THR MG 4.500 . 5.500 3.551 1.858 5.591 0.091 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
111 1 42 GLN HA 1 129 CYS H 4.000 . 5.000 3.261 2.971 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
112 1 42 GLN QB 1 129 CYS H 4.000 . 5.000 4.567 3.633 5.118 0.118 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
113 1 43 GLY HA3 1 92 PHE QD 4.500 . 5.500 5.344 4.442 5.564 0.064 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
114 1 43 GLY HA2 1 92 PHE QD 4.500 . 5.500 3.817 2.818 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
115 1 35 THR H 1 43 GLY HA2 4.000 . 5.000 4.902 4.300 5.092 0.092 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
116 1 43 GLY H 1 129 CYS H 4.000 . 5.000 4.670 3.920 5.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
117 1 43 GLY H 1 127 LEU H 4.000 . 5.000 3.742 3.235 4.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
118 1 43 GLY H 1 128 THR HA 4.000 . 5.000 3.042 2.273 3.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
119 1 44 GLN QG 1 124 SER HB2 4.000 . 5.000 4.912 3.479 5.095 0.095 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
120 1 44 GLN HA 1 126 GLY HA2 4.000 . 5.000 3.375 2.585 4.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
121 1 44 GLN HA 1 126 GLY HA3 4.000 . 5.000 4.452 3.311 5.022 0.022 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
122 1 44 GLN QG 1 126 GLY HA2 4.000 . 5.000 3.829 2.591 4.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
123 1 45 LEU MD1 1 127 LEU MD1 5.000 . 6.000 2.709 2.117 3.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
124 1 45 LEU MD1 1 77 VAL MG1 5.000 . 6.000 3.827 2.784 4.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
125 1 45 LEU MD1 1 77 VAL MG2 4.500 . 5.500 3.919 2.942 4.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
126 1 45 LEU MD2 1 77 VAL MG2 5.000 . 6.000 4.642 3.367 5.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
127 1 45 LEU MD2 1 111 PHE QE 5.000 . 6.000 3.201 1.997 5.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
128 1 45 LEU H 1 126 GLY HA2 4.000 . 5.000 4.542 3.172 5.048 0.048 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
129 1 46 GLU HA 1 55 MET HA 4.000 . 5.000 2.230 1.792 2.587 0.008 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
130 1 46 GLU HG3 1 55 MET HA 3.500 . 4.000 3.087 2.315 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
131 1 46 GLU HG2 1 55 MET HA 4.000 . 5.000 4.488 3.929 5.041 0.041 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
132 1 46 GLU HA 1 56 VAL MG1 4.500 . 5.500 3.785 2.952 4.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
133 1 46 GLU HA 1 56 VAL MG2 4.500 . 5.500 4.279 3.340 5.636 0.136 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
134 1 46 GLU HB3 1 53 TRP HE3 4.000 . 5.000 3.513 2.930 4.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
135 1 46 GLU HB2 1 53 TRP HE3 4.000 . 5.000 4.486 4.125 4.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
136 1 46 GLU HG3 1 54 HIS H 4.000 . 5.000 4.406 3.666 5.026 0.026 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
137 1 47 VAL HA 1 53 TRP HH2 4.000 . 5.000 4.864 4.359 5.037 0.037 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
138 1 47 VAL MG1 1 111 PHE QD 5.000 . 6.000 3.117 1.865 3.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
139 1 47 VAL MG1 1 111 PHE QE 5.000 . 6.000 1.895 1.754 2.774 0.046 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
140 1 47 VAL MG1 1 111 PHE HZ 4.500 . 5.500 3.488 2.668 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
141 1 47 VAL MG2 1 61 TRP HZ2 4.500 . 5.500 4.089 3.062 5.538 0.038 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
142 1 47 VAL MG2 1 111 PHE QE 5.000 . 6.000 2.029 1.724 2.540 0.076 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
143 1 47 VAL MG1 1 54 HIS H 4.500 . 5.500 5.254 3.025 5.533 0.033 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
144 1 47 VAL H 1 54 HIS H 4.000 . 5.000 3.314 3.074 3.747 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
145 1 47 VAL H 1 53 TRP HE3 4.000 . 5.000 3.617 3.259 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
146 1 47 VAL H 1 56 VAL MG2 4.500 . 5.500 4.584 3.958 5.516 0.016 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
147 1 48 TYR HA 1 54 HIS H 4.000 . 5.000 3.230 2.866 3.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
148 1 49 LEU MD2 1 114 CYS HB3 4.500 . 5.500 5.135 4.123 5.547 0.047 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
149 1 49 LEU MD2 1 114 CYS HB2 4.500 . 5.500 4.484 3.214 5.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
150 1 49 LEU MD2 1 111 PHE HB2 4.500 . 5.500 3.984 2.968 5.182 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
151 1 49 LEU MD1 1 61 TRP HH2 4.500 . 5.500 4.772 3.351 5.598 0.098 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
152 1 49 LEU MD2 1 111 PHE HB3 4.500 . 5.500 2.664 1.753 4.019 0.047 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
153 1 49 LEU MD1 1 111 PHE QD 5.000 . 6.000 3.722 2.284 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
154 1 49 LEU MD2 1 111 PHE QD 5.000 . 6.000 2.917 1.783 4.963 0.017 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
155 1 54 HIS HB3 1 102 ILE MD 4.500 . 5.500 1.828 1.745 2.367 0.055 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
156 1 54 HIS HB3 1 102 ILE MG 4.500 . 5.500 4.265 3.727 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
157 1 54 HIS HB2 1 102 ILE MG 4.500 . 5.500 5.492 4.978 5.608 0.108 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
158 1 54 HIS HB3 1 61 TRP HH2 4.000 . 5.000 5.074 5.000 5.163 0.163 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
159 1 54 HIS HB2 1 102 ILE MD 4.500 . 5.500 3.230 3.060 3.547 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
160 1 54 HIS HB3 1 102 ILE HG13 4.000 . 5.000 2.919 2.571 3.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
161 1 54 HIS HB2 1 102 ILE HG13 4.000 . 5.000 4.625 4.312 4.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
162 1 55 MET ME 1 101 SER HA 4.500 . 5.500 3.260 1.945 4.910 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
163 1 55 MET ME 1 101 SER HB3 4.500 . 5.500 3.741 1.801 5.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
164 1 55 MET ME 1 101 SER HB2 4.500 . 5.500 3.903 1.830 5.589 0.089 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
165 1 55 MET HG2 1 101 SER HA 4.000 . 5.000 4.369 2.645 5.094 0.094 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
166 1 55 MET ME 1 100 SER HB2 4.500 . 5.500 3.564 1.849 5.552 0.052 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
167 1 55 MET ME 1 97 THR MG 5.000 . 6.000 4.733 2.976 6.032 0.032 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
168 1 55 MET ME 1 96 TYR HA 4.500 . 5.500 4.199 1.999 5.547 0.047 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
169 1 56 VAL HA 1 102 ILE HG13 3.500 . 4.000 3.585 3.049 4.035 0.035 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
170 1 56 VAL HA 1 102 ILE HG12 4.000 . 5.000 4.676 4.443 5.013 0.013 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
171 1 56 VAL HB 1 102 ILE MD 4.500 . 5.500 2.989 1.872 3.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
172 1 47 VAL MG1 1 56 VAL MG2 5.000 . 6.000 4.093 3.249 5.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
173 1 56 VAL MG2 1 96 TYR QD 5.000 . 6.000 5.904 5.142 6.107 0.107 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
174 1 56 VAL HA 1 102 ILE H 4.000 . 5.000 2.904 2.285 3.371 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
175 1 45 LEU HA 1 56 VAL H 4.000 . 5.000 5.053 5.007 5.161 0.161 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
176 1 57 CYS HB3 1 103 ILE HA 4.000 . 5.000 4.266 3.300 5.235 0.235 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
177 1 57 CYS HB2 1 103 ILE HA 4.000 . 5.000 5.161 5.012 5.279 0.279 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
178 1 57 CYS HB3 1 103 ILE HG13 4.000 . 5.000 4.011 2.788 5.120 0.120 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
179 1 57 CYS H 1 102 ILE H 4.000 . 5.000 4.494 3.807 5.018 0.018 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
180 1 58 SER HA 1 87 LEU QD 4.500 . 5.500 5.287 5.151 5.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
181 1 58 SER HA 1 87 LEU MD2 4.500 . 5.500 5.584 5.528 5.654 0.154 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
182 1 59 GLN HG3 1 103 ILE MG 4.500 . 5.500 4.529 3.965 5.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
183 1 59 GLN HG2 1 103 ILE MG 4.500 . 5.500 5.211 4.677 5.529 0.029 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
184 1 59 GLN HG2 1 103 ILE MD 4.500 . 5.500 5.529 5.249 5.685 0.185 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
185 1 59 GLN HG3 1 125 LEU H 4.000 . 5.000 4.691 3.215 5.218 0.218 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
186 1 60 SER HA 1 103 ILE HG12 4.000 . 5.000 5.038 4.646 5.146 0.146 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
187 1 60 SER HA 1 103 ILE MD 4.500 . 5.500 5.135 4.853 5.519 0.019 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
188 1 60 SER HA 1 103 ILE MG 4.500 . 5.500 2.689 2.492 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
189 1 60 SER HB3 1 104 CYS HB3 4.000 . 5.000 4.211 3.854 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
190 1 60 SER HA 1 104 CYS H 3.500 . 4.000 3.973 3.602 4.106 0.106 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
191 1 60 SER HB3 1 104 CYS H 4.000 . 5.000 1.920 1.785 2.106 0.015 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
192 1 60 SER HB2 1 104 CYS H 4.000 . 5.000 3.036 2.629 3.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
193 1 61 TRP HB2 1 108 LEU MD1 4.500 . 5.500 2.911 1.942 5.522 0.022 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
194 1 61 TRP HA 1 105 TYR HA 4.000 . 5.000 2.126 1.746 2.823 0.054 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
195 1 61 TRP HB3 1 108 LEU HA 4.000 . 5.000 2.301 1.791 4.244 0.009 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
196 1 61 TRP HB2 1 108 LEU HA 4.000 . 5.000 2.993 2.327 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
197 1 61 TRP HZ3 1 111 PHE QE 4.500 . 5.500 3.918 3.574 4.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
198 1 61 TRP HZ3 1 111 PHE HZ 4.000 . 5.000 4.190 3.650 4.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
199 1 61 TRP HZ2 1 111 PHE QE 4.500 . 5.500 3.977 3.675 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
200 1 61 TRP HZ2 1 111 PHE HZ 4.000 . 5.000 5.017 4.544 5.079 0.079 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
201 1 61 TRP HZ2 1 104 CYS HB2 4.000 . 5.000 3.409 2.874 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
202 1 61 TRP HA 1 106 GLY H 4.000 . 5.000 3.042 2.276 3.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
203 1 61 TRP HD1 1 106 GLY H 4.000 . 5.000 4.508 3.518 5.035 0.035 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
204 1 61 TRP HE1 1 110 SER H 4.000 . 5.000 4.227 2.874 5.009 0.009 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
205 1 61 TRP HE1 1 104 CYS HB2 4.000 . 5.000 3.789 3.229 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
206 1 61 TRP HE1 1 104 CYS HB3 4.000 . 5.000 3.640 3.141 4.366 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
207 1 61 TRP HE1 1 110 SER HB2 4.000 . 5.000 4.513 3.535 5.037 0.037 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
208 1 61 TRP H 1 105 TYR HA 4.000 . 5.000 2.317 1.783 2.592 0.017 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
209 1 61 TRP H 1 105 TYR HB2 4.000 . 5.000 5.075 4.603 5.150 0.150 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
210 1 62 GLY H 1 108 LEU H 4.000 . 5.000 4.817 4.069 5.049 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
211 1 67 GLN HA 1 91 PRO QD 4.500 . 5.500 4.254 2.396 5.560 0.060 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
212 1 67 GLN HA 1 90 GLY HA3 4.000 . 5.000 4.592 3.401 5.064 0.064 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
213 1 71 PRO HA 1 89 LEU HB3 4.000 . 5.000 4.830 4.032 5.119 0.119 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
214 1 71 PRO HA 1 89 LEU HB2 4.000 . 5.000 3.562 2.621 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
215 1 71 PRO HA 1 89 LEU MD1 4.500 . 5.500 3.178 1.737 5.577 0.077 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
216 1 71 PRO HA 1 89 LEU MD2 4.500 . 5.500 4.698 3.938 5.611 0.111 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
217 1 71 PRO HB3 1 88 SER HA 4.000 . 5.000 2.676 1.766 4.551 0.034 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
218 1 71 PRO HB2 1 88 SER HA 4.000 . 5.000 2.331 1.782 4.004 0.018 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
219 1 71 PRO HG2 1 88 SER HA 4.000 . 5.000 3.742 1.973 5.035 0.035 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
220 1 71 PRO HB2 1 89 LEU H 4.000 . 5.000 3.161 2.004 4.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
221 1 72 SER QB 1 86 PRO HG3 4.000 . 5.000 3.641 2.349 5.020 0.020 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
222 1 72 SER QB 1 86 PRO HG2 4.000 . 5.000 3.808 2.306 4.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
223 1 73 GLN QG 1 108 LEU MD1 4.500 . 5.500 4.096 2.376 5.515 0.015 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
224 1 73 GLN HB3 1 108 LEU MD2 4.500 . 5.500 4.461 2.930 5.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
225 1 73 GLN HB2 1 108 LEU MD2 4.500 . 5.500 4.066 3.020 5.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
226 1 73 GLN QG 1 108 LEU MD2 4.500 . 5.500 2.947 1.790 4.923 0.010 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
227 1 74 ALA MB 1 86 PRO HB3 4.500 . 5.500 2.646 2.120 3.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
228 1 74 ALA MB 1 86 PRO HB2 4.500 . 5.500 2.780 2.146 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
229 1 74 ALA MB 1 86 PRO HG2 4.500 . 5.500 4.587 4.185 5.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
230 1 74 ALA MB 1 86 PRO HG3 4.000 . 5.000 4.104 3.647 4.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
231 1 74 ALA H 1 86 PRO HG2 4.000 . 5.000 4.217 3.514 5.011 0.011 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
232 1 75 SER H 1 86 PRO HG3 4.000 . 5.000 2.949 2.617 3.281 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
233 1 75 SER H 1 86 PRO HG2 4.000 . 5.000 4.642 4.336 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
234 1 78 CYS HB2 1 129 CYS HB2 4.000 . 5.000 4.734 4.325 4.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
235 1 78 CYS HB2 1 129 CYS HB3 4.000 . 5.000 3.076 2.641 3.228 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
236 1 83 CYS HB3 1 129 CYS HB2 4.000 . 5.000 2.314 1.829 2.815 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
237 1 83 CYS HB2 1 129 CYS HB2 4.000 . 5.000 2.870 2.609 3.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
238 1 83 CYS HB3 1 129 CYS HB3 4.000 . 5.000 2.578 2.145 3.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
239 1 83 CYS HB2 1 129 CYS HB3 4.000 . 5.000 2.392 2.071 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
240 1 84 GLY HA3 1 130 LEU QB 4.000 . 5.000 3.281 2.907 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
241 1 84 GLY HA2 1 130 LEU QB 4.000 . 5.000 4.659 4.278 5.033 0.033 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
242 1 84 GLY H 1 130 LEU QB 4.000 . 5.000 4.991 4.326 5.084 0.084 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
243 1 85 ASP HB3 1 130 LEU MD2 4.500 . 5.500 4.372 3.919 5.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
244 1 85 ASP HB2 1 130 LEU MD2 4.500 . 5.500 2.945 2.342 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
245 1 85 ASP H 1 130 LEU H 4.000 . 5.000 4.951 4.680 5.032 0.032 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
246 1 85 ASP H 1 130 LEU QB 3.500 . 4.000 2.138 1.830 3.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
247 1 85 ASP H 1 130 LEU QD 5.000 . 6.000 1.993 1.778 2.342 0.022 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
248 1 86 PRO HA 1 129 CYS HA 4.000 . 5.000 3.189 2.968 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
249 1 86 PRO HA 1 127 LEU MD2 4.500 . 5.500 5.522 4.924 5.611 0.111 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
250 1 86 PRO HB2 1 127 LEU MD2 4.500 . 5.500 4.317 4.270 4.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
251 1 86 PRO HB3 1 127 LEU MD2 4.500 . 5.500 5.572 5.532 5.649 0.149 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
252 1 86 PRO HG2 1 127 LEU MD2 4.500 . 5.500 5.642 5.604 5.682 0.182 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
253 1 86 PRO HB3 1 129 CYS HA 4.000 . 5.000 5.192 5.145 5.241 0.241 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
254 1 86 PRO HB2 1 129 CYS HA 4.000 . 5.000 4.693 4.606 5.143 0.143 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
255 1 87 LEU HB3 1 128 THR HB 4.000 . 5.000 4.666 3.834 4.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
256 1 87 LEU HB2 1 128 THR HB 4.000 . 5.000 5.188 5.078 5.313 0.313 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
257 1 87 LEU MD1 1 130 LEU HA 4.500 . 5.500 5.784 5.677 5.839 0.339 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
258 1 87 LEU HB3 1 128 THR MG 4.500 . 5.500 4.511 4.274 4.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
259 1 87 LEU HB2 1 128 THR MG 4.500 . 5.500 5.110 4.261 5.719 0.219 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
260 1 87 LEU HB3 1 127 LEU HB2 4.000 . 5.000 3.934 3.684 4.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
261 1 87 LEU HB2 1 127 LEU HB2 4.000 . 5.000 3.397 2.989 4.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
262 1 87 LEU H 1 130 LEU H 4.000 . 5.000 3.099 2.935 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
263 1 87 LEU H 1 129 CYS HA 4.000 . 5.000 1.946 1.689 2.027 0.111 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
264 1 87 LEU H 1 130 LEU HA 4.000 . 5.000 5.020 4.213 5.093 0.093 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
265 1 88 SER H 1 128 THR HB 4.000 . 5.000 4.103 2.899 5.030 0.030 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
266 1 88 SER H 1 128 THR MG 4.500 . 5.500 3.404 2.644 4.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
267 1 88 SER H 1 128 THR H 4.000 . 5.000 2.771 2.497 3.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
268 1 88 SER QB 1 128 THR HB 4.000 . 5.000 4.358 2.727 5.064 0.064 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
269 1 89 LEU HA 1 127 LEU HA 2.500 . 3.000 2.829 2.351 3.063 0.063 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
270 1 89 LEU MD1 1 127 LEU HA 4.500 . 5.500 5.009 2.645 5.638 0.138 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
271 1 89 LEU MD2 1 127 LEU HA 4.000 . 5.000 3.876 2.986 5.077 0.077 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
272 1 89 LEU HG 1 127 LEU HA 4.000 . 5.000 4.393 3.755 5.092 0.092 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
273 1 89 LEU HA 1 127 LEU MD2 4.500 . 5.500 2.439 1.880 2.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
274 1 89 LEU HB2 1 127 LEU MD2 4.500 . 5.500 3.501 1.850 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
275 1 89 LEU HG 1 127 LEU MD2 4.000 . 5.000 2.361 1.754 4.202 0.046 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
276 1 90 GLY H 1 126 GLY H 4.000 . 5.000 2.980 2.622 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
277 1 90 GLY H 1 127 LEU HA 4.000 . 5.000 3.746 3.088 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
278 1 90 GLY H 1 127 LEU MD2 4.500 . 5.500 4.108 3.581 4.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
279 1 91 PRO HB3 1 123 HIS QB 4.000 . 5.000 4.180 3.393 4.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
280 1 91 PRO HB2 1 123 HIS QB 4.000 . 5.000 5.044 4.379 5.140 0.140 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
281 1 92 PHE HB3 1 126 GLY HA3 4.000 . 5.000 2.823 1.903 4.104 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
282 1 92 PHE QD 1 126 GLY HA3 4.500 . 5.500 3.588 2.024 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
283 1 92 PHE HB3 1 126 GLY HA2 3.500 . 4.000 3.708 2.728 4.065 0.065 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
284 1 92 PHE HB2 1 126 GLY HA2 3.500 . 4.000 3.451 2.101 4.034 0.034 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
285 1 97 THR H 1 117 SER QB 4.000 . 5.000 4.951 4.058 5.138 0.138 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
286 1 99 GLN H 1 117 SER QB 4.000 . 5.000 4.088 2.873 5.035 0.035 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
287 1 102 ILE HA 1 116 HIS HA 4.000 . 5.000 2.774 2.031 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
288 1 102 ILE HB 1 114 CYS HB3 3.500 . 4.000 3.167 2.480 4.116 0.116 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
289 1 102 ILE HB 1 114 CYS HB2 4.000 . 5.000 4.112 3.008 4.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
290 1 102 ILE MD 1 114 CYS HB3 4.500 . 5.500 2.893 2.128 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
291 1 102 ILE MD 1 114 CYS HB2 4.500 . 5.500 3.654 2.786 4.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
292 1 102 ILE MG 1 114 CYS HB3 4.500 . 5.500 3.922 3.242 4.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
293 1 102 ILE MG 1 114 CYS HB2 4.500 . 5.500 4.245 3.211 5.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
294 1 102 ILE MG 1 116 HIS HA 4.500 . 5.500 1.947 1.723 2.704 0.077 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
295 1 102 ILE MD 1 111 PHE QD 5.000 . 6.000 5.708 4.907 6.045 0.045 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
296 1 102 ILE MD 1 111 PHE QE 5.000 . 6.000 5.851 4.850 6.046 0.046 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
297 1 102 ILE HA 1 117 SER H 4.000 . 5.000 2.541 1.798 3.723 0.002 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
298 1 102 ILE HG12 1 115 SER H 4.000 . 5.000 5.029 4.898 5.062 0.062 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
299 1 103 ILE MG 1 117 SER HA 4.500 . 5.500 4.384 4.039 5.181 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
300 1 103 ILE HB 1 117 SER QB 4.000 . 5.000 4.591 3.792 5.064 0.064 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
301 1 103 ILE MD 1 117 SER QB 4.500 . 5.500 3.328 2.697 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
302 1 103 ILE HG12 1 117 SER QB 4.000 . 5.000 4.045 3.405 4.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
303 1 103 ILE MG 1 115 SER QB 4.500 . 5.500 4.364 3.542 5.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
304 1 103 ILE MG 1 117 SER QB 4.500 . 5.500 5.117 4.548 5.525 0.025 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
305 1 103 ILE MG 1 115 SER H 4.500 . 5.500 4.719 4.291 5.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
306 1 103 ILE H 1 115 SER H 4.000 . 5.000 3.486 2.974 3.828 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
307 1 104 CYS HB2 1 111 PHE HA 4.000 . 5.000 4.994 4.627 5.082 0.082 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
308 1 104 CYS HA 1 114 CYS HB3 4.000 . 5.000 2.996 1.870 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
309 1 104 CYS HA 1 114 CYS HB2 4.000 . 5.000 3.971 3.412 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
310 1 104 CYS HA 1 114 CYS HA 3.000 . 3.500 1.869 1.685 2.308 0.115 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
311 1 104 CYS HA 1 115 SER H 4.000 . 5.000 2.345 1.859 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
312 1 105 TYR QE 1 115 SER H 4.500 . 5.500 4.932 3.461 5.566 0.066 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 2
313 1 105 TYR H 1 114 CYS HA 4.000 . 5.000 2.725 2.142 4.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 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 91
_Distance_constraint_stats_list.Viol_count 543
_Distance_constraint_stats_list.Viol_total 2463.317
_Distance_constraint_stats_list.Viol_max 0.454
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0907
_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 24 SER 0.086 0.028 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 TRP 0.036 0.029 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 TYR 0.135 0.056 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.432 0.056 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 ASP 0.055 0.055 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 PHE 0.479 0.056 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 0.016 0.010 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ARG 0.891 0.132 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LEU 6.705 0.303 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 THR 0.891 0.132 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 SER 0.547 0.146 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 SER 7.549 0.303 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 GLN 0.297 0.054 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 LEU 2.167 0.222 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 VAL 3.168 0.222 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 TYR 1.121 0.105 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 LEU 14.841 0.454 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 LYS 1.534 0.149 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 ASP 13.841 0.454 34 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 GLY 12.430 0.283 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 HIS 9.775 0.283 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 GLN 0.209 0.084 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 63 ARG 0.071 0.040 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 SER 0.138 0.084 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 68 TRP 0.752 0.077 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 70 ASP 1.060 0.085 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 SER 0.307 0.085 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 ALA 0.173 0.102 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 76 LYS 0.362 0.075 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 VAL 0.173 0.102 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 CYS 3.811 0.102 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 GLN 0.097 0.050 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 80 ARG 0.265 0.075 33 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 LEU 0.006 0.006 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 CYS 3.805 0.102 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 98 PRO 4.660 0.213 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 SER 4.660 0.213 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 105 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 107 GLN 0.077 0.027 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 108 LEU 0.417 0.078 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 110 SER 0.155 0.051 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 111 PHE 0.338 0.078 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 24 SER HB2 1 26 TYR QD 4.500 . 5.500 3.324 2.569 4.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
2 1 24 SER HB2 1 27 ASP H 4.000 . 5.000 4.056 3.202 5.028 0.028 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
3 1 24 SER H 1 27 ASP H 4.000 . 5.000 3.998 3.338 4.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
4 1 24 SER H 1 27 ASP HB3 4.000 . 5.000 3.754 2.682 5.019 0.019 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
5 1 25 TRP HA 1 30 PHE HB3 3.500 . 4.000 3.439 2.533 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
6 1 25 TRP HA 1 30 PHE HB2 4.000 . 5.000 4.499 3.417 5.029 0.029 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
7 1 25 TRP HA 1 30 PHE QD 4.000 . 5.000 2.443 1.808 2.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
8 1 25 TRP HA 1 27 ASP H 4.000 . 5.000 3.449 3.221 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
9 1 26 TYR H 1 30 PHE HB3 4.000 . 5.000 4.774 4.150 5.056 0.056 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
10 1 27 ASP HB2 1 30 PHE HB2 3.000 . 3.500 2.701 1.744 3.536 0.056 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
11 1 27 ASP H 1 30 PHE HB2 4.000 . 5.000 3.708 3.235 4.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
12 1 27 ASP HB3 1 29 ASP H 4.000 . 5.000 3.212 2.165 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
13 1 27 ASP HB2 1 29 ASP H 4.000 . 5.000 4.429 3.422 5.055 0.055 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
14 1 27 ASP HB2 1 30 PHE H 4.000 . 5.000 3.893 2.913 4.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
15 1 28 PRO HA 1 30 PHE H 4.000 . 5.000 4.043 3.624 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
16 1 30 PHE QD 1 32 ALA MB 5.000 . 6.000 2.608 2.185 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
17 1 30 PHE QE 1 32 ALA MB 5.000 . 6.000 2.475 1.790 4.485 0.010 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
18 1 33 ARG HD3 1 35 THR MG 4.500 . 5.500 4.611 3.264 5.632 0.132 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
19 1 33 ARG HD2 1 35 THR MG 4.500 . 5.500 4.199 2.770 5.571 0.071 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
20 1 34 LEU MD1 1 39 SER HA 4.500 . 5.500 5.633 5.458 5.803 0.303 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
21 1 37 SER HB3 1 39 SER H 4.000 . 5.000 3.964 2.648 5.146 0.146 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
22 1 39 SER HB3 1 42 GLN QB 4.000 . 5.000 2.438 1.753 3.793 0.047 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
23 1 39 SER HB3 1 42 GLN QG 4.000 . 5.000 3.734 1.746 5.033 0.054 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
24 1 39 SER HA 1 42 GLN H 4.000 . 5.000 4.224 3.962 4.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
25 1 39 SER HB3 1 42 GLN H 4.000 . 5.000 2.857 2.144 4.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
26 1 39 SER H 1 42 GLN H 4.000 . 5.000 4.440 3.254 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
27 1 45 LEU HB2 1 47 VAL MG2 4.500 . 5.500 5.344 4.294 5.722 0.222 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
28 1 47 VAL MG1 1 49 LEU HG 4.500 . 5.500 5.393 4.329 5.588 0.088 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
29 1 48 TYR QD 1 53 TRP HD1 4.500 . 5.500 3.286 2.712 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
30 1 48 TYR QE 1 51 ASP HA 4.500 . 5.500 3.114 1.837 5.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
31 1 48 TYR QE 1 52 GLY HA3 4.500 . 5.500 5.442 4.811 5.605 0.105 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
32 1 48 TYR QE 1 52 GLY HA2 4.500 . 5.500 4.318 3.658 4.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
33 1 48 TYR HA 1 53 TRP HA 4.000 . 5.000 2.266 2.070 2.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
34 1 48 TYR QD 1 53 TRP HE1 4.500 . 5.500 3.681 3.251 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
35 1 48 TYR QE 1 53 TRP HE1 4.500 . 5.500 4.183 3.836 5.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
36 1 48 TYR H 1 53 TRP HE3 4.000 . 5.000 3.870 3.526 4.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
37 1 48 TYR H 1 53 TRP HZ3 4.000 . 5.000 3.364 2.968 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
38 1 49 LEU HB3 1 51 ASP H 4.000 . 5.000 5.277 5.007 5.454 0.454 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
39 1 49 LEU HB2 1 51 ASP H 4.000 . 5.000 4.580 3.420 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
40 1 49 LEU H 1 52 GLY H 4.000 . 5.000 3.446 2.983 3.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
41 1 50 LYS HA 1 52 GLY H 4.000 . 5.000 4.845 4.072 5.149 0.149 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
42 1 49 LEU H 1 53 TRP HA 4.000 . 5.000 3.708 3.377 4.008 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
43 1 52 GLY HA2 1 54 HIS HA 4.000 . 5.000 5.196 5.089 5.283 0.283 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
44 1 56 VAL MG1 1 60 SER HB2 4.500 . 5.500 3.751 3.316 4.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
45 1 56 VAL MG1 1 60 SER H 4.500 . 5.500 5.085 4.317 5.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
46 1 58 SER HA 1 60 SER H 4.000 . 5.000 3.791 3.525 4.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
47 1 59 GLN HA 1 63 ARG H 4.000 . 5.000 4.149 3.172 5.040 0.040 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
48 1 59 GLN QB 1 64 SER H 4.000 . 5.000 4.037 1.792 5.084 0.084 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
49 1 68 TRP HA 1 70 ASP H 4.000 . 5.000 4.113 3.309 5.034 0.034 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
50 1 68 TRP HB3 1 70 ASP H 4.000 . 5.000 4.067 2.176 5.077 0.077 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
51 1 70 ASP HA 1 72 SER H 4.000 . 5.000 4.078 3.213 5.085 0.085 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
52 1 72 SER HA 1 74 ALA H 4.000 . 5.000 3.818 3.110 4.813 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
53 1 73 GLN HA 1 75 SER H 4.000 . 5.000 3.684 2.835 4.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
54 1 74 ALA HA 1 77 VAL MG1 4.500 . 5.500 4.188 2.505 5.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
55 1 74 ALA MB 1 77 VAL HB 4.000 . 4.500 3.173 1.888 4.602 0.102 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
56 1 74 ALA MB 1 77 VAL MG1 5.000 . 6.000 3.125 2.289 3.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
57 1 74 ALA HA 1 76 LYS H 4.000 . 5.000 3.583 3.180 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
58 1 74 ALA HA 1 77 VAL H 4.000 . 5.000 3.409 3.069 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
59 1 74 ALA MB 1 77 VAL H 4.500 . 5.500 3.482 3.125 3.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
60 1 75 SER HA 1 78 CYS H 4.000 . 5.000 3.857 3.529 4.062 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
61 1 75 SER H 1 77 VAL H 4.000 . 5.000 4.181 3.934 4.528 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
62 1 76 LYS HA 1 79 GLN QB 3.000 . 3.500 2.474 2.100 3.550 0.050 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
63 1 76 LYS HA 1 79 GLN H 3.500 . 4.000 3.693 3.375 4.009 0.009 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
64 1 76 LYS HA 1 80 ARG H 4.000 . 5.000 4.052 3.623 4.455 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
65 1 76 LYS QD 1 80 ARG H 4.000 . 5.000 4.333 3.521 5.075 0.075 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
66 1 77 VAL HA 1 80 ARG QB 4.000 . 5.000 3.012 2.226 4.383 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
67 1 77 VAL H 1 79 GLN H 4.000 . 5.000 3.798 3.629 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
68 1 77 VAL HA 1 80 ARG H 4.000 . 5.000 3.523 3.137 3.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
69 1 77 VAL HA 1 81 LEU H 4.000 . 5.000 4.612 4.386 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
70 1 78 CYS HA 1 81 LEU QB 4.000 . 5.000 2.141 1.794 2.690 0.006 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
71 1 78 CYS HA 1 81 LEU MD1 4.500 . 5.500 2.719 1.813 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
72 1 78 CYS HA 1 83 CYS HB3 4.000 . 5.000 4.995 4.258 5.079 0.079 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
73 1 78 CYS HA 1 83 CYS HB2 4.000 . 5.000 3.389 3.149 4.349 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
74 1 78 CYS HB3 1 83 CYS HB3 4.000 . 5.000 3.407 2.417 3.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
75 1 78 CYS HB2 1 83 CYS HB3 4.000 . 5.000 5.025 3.881 5.102 0.102 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
76 1 78 CYS HB2 1 83 CYS HB2 4.000 . 5.000 3.891 3.553 5.081 0.081 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
77 1 78 CYS HA 1 81 LEU H 4.000 . 5.000 2.893 2.615 3.066 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
78 1 79 GLN HA 1 82 ASN H 4.000 . 5.000 3.638 3.346 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
79 1 79 GLN HA 1 83 CYS H 4.000 . 5.000 3.508 3.006 4.089 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
80 1 80 ARG HA 1 82 ASN H 4.000 . 5.000 3.463 3.212 3.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
81 1 81 LEU QB 1 83 CYS HB3 4.500 . 5.500 4.400 3.862 4.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
82 1 81 LEU QB 1 83 CYS H 4.000 . 5.000 3.106 2.657 3.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
83 1 81 LEU H 1 83 CYS H 4.000 . 5.000 3.588 3.467 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
84 1 98 PRO QD 1 101 SER H 4.000 . 5.000 5.092 4.977 5.213 0.213 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
85 1 103 ILE MG 1 105 TYR QE 5.000 . 6.000 2.850 2.541 3.183 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
86 1 107 GLN QB 1 110 SER HB3 4.000 . 5.000 4.046 2.821 5.015 0.015 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
87 1 107 GLN QB 1 110 SER HB2 4.000 . 5.000 3.291 2.197 4.873 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
88 1 107 GLN H 1 110 SER HB3 4.000 . 5.000 4.322 2.782 5.027 0.027 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
89 1 108 LEU MD1 1 111 PHE QE 4.500 . 5.500 3.765 3.031 5.578 0.078 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
90 1 108 LEU MD2 1 111 PHE QE 5.000 . 6.000 5.455 3.211 6.056 0.056 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
91 1 108 LEU H 1 110 SER H 4.000 . 5.000 4.712 4.423 5.051 0.051 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 293
_Distance_constraint_stats_list.Viol_count 692
_Distance_constraint_stats_list.Viol_total 2377.522
_Distance_constraint_stats_list.Viol_max 0.439
_Distance_constraint_stats_list.Viol_rms 0.0202
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0687
_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 22 ARG 0.912 0.057 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 LEU 0.912 0.057 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 TYR 0.005 0.005 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.254 0.040 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 PRO 0.901 0.093 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 ASP 0.651 0.093 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 GLN 0.961 0.160 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 0.961 0.160 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 LEU 1.547 0.138 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 THR 2.172 0.198 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 ARG 0.625 0.198 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 LEU 0.145 0.080 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 LYS 0.145 0.080 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 ASP 1.130 0.107 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 GLY 1.130 0.107 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 VAL 0.002 0.002 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 CYS 0.002 0.002 38 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 61 TRP 0.195 0.046 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 62 GLY 0.195 0.046 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 63 ARG 0.011 0.011 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 SER 0.011 0.011 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 67 GLN 0.212 0.065 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 68 TRP 0.212 0.065 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 70 ASP 0.061 0.038 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 71 PRO 1.864 0.152 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 SER 5.470 0.285 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 GLN 3.667 0.285 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 CYS 0.303 0.040 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 GLN 0.303 0.040 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 CYS 0.024 0.024 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 84 GLY 0.024 0.024 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 85 ASP 4.135 0.120 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 86 PRO 4.135 0.120 11 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 87 LEU 10.724 0.264 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 88 SER 10.724 0.264 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 92 PHE 0.119 0.023 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 93 LEU 0.119 0.023 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 95 THR 0.144 0.063 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 96 TYR 0.212 0.063 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 THR 0.659 0.109 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 98 PRO 3.140 0.382 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 99 GLN 2.548 0.382 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 102 ILE 0.845 0.082 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ILE 0.845 0.082 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 104 CYS 0.027 0.027 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 105 TYR 0.027 0.027 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 106 GLY 1.692 0.114 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 107 GLN 1.692 0.114 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 108 LEU 0.058 0.015 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 109 GLY 0.058 0.015 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 111 PHE 0.673 0.171 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 112 SER 0.673 0.171 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 114 CYS 0.018 0.018 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 115 SER 0.018 0.018 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 116 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 118 ARG 0.021 0.021 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 119 ASN 0.021 0.021 13 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 120 ASP 1.946 0.439 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 121 MET 1.946 0.439 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 122 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 123 HIS 0.085 0.085 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 124 SER 0.085 0.085 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 126 GLY 4.381 0.157 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 127 LEU 8.790 0.188 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 128 THR 4.410 0.188 24 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 129 CYS 0.057 0.057 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 130 LEU 2.561 0.063 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 131 GLU 2.505 0.063 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 22 ARG HA 1 23 LEU H 3.000 . 3.500 3.032 2.178 3.557 0.057 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
2 1 22 ARG HB2 1 23 LEU H 4.000 . 5.000 2.949 1.764 4.554 0.036 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
3 1 23 LEU HA 1 24 SER H 2.500 . 3.000 2.274 2.143 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
4 1 23 LEU QB 1 24 SER H 4.000 . 5.000 3.521 2.622 3.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
5 1 23 LEU MD2 1 24 SER H 4.500 . 5.500 4.176 3.630 5.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
6 1 23 LEU H 1 24 SER H 4.000 . 5.000 3.893 2.729 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
7 1 24 SER HA 1 25 TRP H 3.500 . 4.000 2.330 2.192 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
8 1 24 SER HB3 1 25 TRP H 4.000 . 5.000 3.762 2.475 4.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
9 1 24 SER HB2 1 25 TRP H 4.000 . 5.000 3.029 2.542 4.086 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
10 1 25 TRP HA 1 26 TYR H 4.000 . 5.000 3.161 2.857 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
11 1 25 TRP HD1 1 26 TYR H 4.000 . 5.000 2.705 1.965 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
12 1 25 TRP H 1 26 TYR H 4.000 . 5.000 2.753 2.557 3.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
13 1 25 TRP HE1 1 26 TYR QD 4.500 . 5.500 3.060 2.282 4.500 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
14 1 26 TYR HA 1 27 ASP H 4.000 . 5.000 3.146 2.975 3.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
15 1 26 TYR HB3 1 27 ASP H 4.000 . 5.000 4.502 4.175 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
16 1 26 TYR HB2 1 27 ASP H 4.000 . 5.000 4.338 4.184 4.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
17 1 25 TRP H 1 26 TYR QE 4.500 . 5.500 4.499 3.729 5.480 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
18 1 26 TYR H 1 27 ASP H 3.500 . 4.000 2.137 1.795 2.437 0.005 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
19 1 27 ASP HA 1 28 PRO HD3 3.000 . 3.500 2.056 1.800 2.440 0.000 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
20 1 27 ASP HA 1 28 PRO HD2 3.000 . 3.500 2.468 2.095 2.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
21 1 27 ASP HB2 1 28 PRO HD3 4.000 . 5.000 4.630 4.130 5.040 0.040 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
22 1 27 ASP HB2 1 28 PRO HD2 4.000 . 5.000 4.257 3.718 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
23 1 27 ASP HA 1 28 PRO QD 3.000 . 3.500 1.897 1.775 2.090 0.025 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
24 1 27 ASP HA 1 28 PRO QG 4.000 . 5.000 3.802 3.676 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
25 1 27 ASP HB2 1 28 PRO QD 4.000 . 5.000 3.901 3.587 4.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
26 1 28 PRO HA 1 29 ASP H 4.000 . 5.000 3.497 3.157 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
27 1 28 PRO HD3 1 29 ASP H 3.500 . 4.000 3.968 3.715 4.093 0.093 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
28 1 28 PRO QG 1 29 ASP H 4.000 . 5.000 3.385 2.171 4.149 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
29 1 29 ASP HA 1 30 PHE H 4.000 . 5.000 3.290 2.906 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
30 1 29 ASP QB 1 30 PHE H 4.000 . 5.000 3.431 2.908 4.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
31 1 29 ASP H 1 30 PHE H 3.500 . 4.000 2.293 1.916 2.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
32 1 30 PHE HA 1 31 GLN H 3.000 . 3.500 2.182 2.116 2.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
33 1 30 PHE HB2 1 31 GLN H 4.000 . 5.000 4.264 4.061 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
34 1 30 PHE QD 1 31 GLN H 4.500 . 5.500 3.512 2.950 3.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
35 1 31 GLN HB3 1 32 ALA HA 4.000 . 5.000 4.451 4.065 4.756 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
36 1 31 GLN H 1 32 ALA H 4.000 . 5.000 4.382 4.224 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
37 1 31 GLN HA 1 32 ALA H 2.500 . 3.000 2.123 2.055 2.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
38 1 31 GLN QB 1 32 ALA H 4.000 . 5.000 3.502 2.949 3.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
39 1 31 GLN HG3 1 32 ALA H 4.000 . 5.000 4.091 2.975 5.160 0.160 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
40 1 32 ALA HA 1 33 ARG H 3.000 . 3.500 2.298 2.189 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
41 1 32 ALA MB 1 33 ARG H 3.500 . 4.000 2.675 2.318 2.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
42 1 32 ALA H 1 33 ARG H 4.000 . 5.000 4.342 4.165 4.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
43 1 33 ARG H 1 34 LEU H 4.000 . 5.000 4.336 4.318 4.361 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
44 1 34 LEU HA 1 35 THR MG 4.500 . 5.500 3.818 3.355 5.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
45 1 34 LEU H 1 35 THR MG 4.500 . 5.500 4.858 3.834 5.638 0.138 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
46 1 34 LEU HA 1 35 THR H 3.000 . 3.500 2.278 2.179 2.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
47 1 34 LEU HB2 1 35 THR H 4.000 . 5.000 3.705 3.200 4.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
48 1 34 LEU MD2 1 35 THR H 4.500 . 5.500 3.813 3.454 4.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
49 1 35 THR HB 1 36 ARG HG3 4.500 . 5.500 4.304 2.386 5.698 0.198 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
50 1 35 THR MG 1 36 ARG H 4.500 . 5.500 3.300 1.741 3.985 0.059 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
51 1 35 THR HA 1 36 ARG H 3.500 . 4.000 2.528 2.179 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
52 1 35 THR HB 1 36 ARG H 3.500 . 4.000 2.249 1.723 3.686 0.077 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
53 1 36 ARG H 1 37 SER H 4.000 . 5.000 3.264 2.424 4.333 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
54 1 38 ASN HA 1 39 SER H 4.000 . 5.000 3.361 2.339 3.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
55 1 39 SER HA 1 40 LYS H 3.000 . 3.500 2.165 2.086 2.699 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
56 1 39 SER HB3 1 40 LYS H 4.000 . 5.000 3.722 2.916 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
57 1 39 SER HB2 1 40 LYS H 4.000 . 5.000 4.127 3.598 4.359 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
58 1 39 SER H 1 40 LYS H 4.000 . 5.000 4.370 3.869 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
59 1 42 GLN HA 1 43 GLY H 3.000 . 3.500 2.205 2.153 2.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
60 1 42 GLN HB3 1 43 GLY H 4.000 . 5.000 3.987 3.063 4.381 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
61 1 42 GLN HB2 1 43 GLY H 4.000 . 5.000 4.204 3.175 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
62 1 42 GLN H 1 43 GLY H 4.000 . 5.000 4.131 4.040 4.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
63 1 43 GLY HA3 1 44 GLN H 4.000 . 5.000 2.603 2.543 2.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
64 1 43 GLY HA2 1 44 GLN H 3.500 . 4.000 2.532 2.324 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
65 1 44 GLN HA 1 45 LEU H 3.500 . 4.000 2.325 2.221 2.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
66 1 43 GLY H 1 44 GLN H 4.000 . 5.000 4.392 4.210 4.417 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
67 1 45 LEU HB3 1 46 GLU H 4.000 . 5.000 4.181 3.936 4.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
68 1 45 LEU MD1 1 46 GLU H 4.500 . 5.500 2.418 2.160 2.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
69 1 45 LEU HG 1 46 GLU H 4.000 . 5.000 3.258 2.598 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
70 1 45 LEU HA 1 46 GLU H 4.000 . 5.000 2.096 2.058 2.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
71 1 46 GLU HA 1 47 VAL H 3.000 . 3.500 2.166 2.122 2.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
72 1 46 GLU HB3 1 47 VAL H 4.000 . 5.000 4.256 4.092 4.362 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
73 1 46 GLU HB2 1 47 VAL H 4.000 . 5.000 4.395 4.241 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
74 1 46 GLU H 1 47 VAL H 4.000 . 5.000 4.221 4.077 4.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
75 1 47 VAL HA 1 48 TYR H 3.500 . 4.000 2.196 2.131 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
76 1 47 VAL HB 1 48 TYR H 4.000 . 5.000 3.211 2.762 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
77 1 47 VAL MG2 1 48 TYR H 4.500 . 5.500 4.038 2.262 4.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
78 1 48 TYR HA 1 49 LEU H 3.000 . 3.500 2.182 2.131 2.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
79 1 48 TYR HB3 1 49 LEU H 4.000 . 5.000 4.397 4.288 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
80 1 49 LEU HB3 1 50 LYS H 4.000 . 5.000 4.015 3.141 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
81 1 49 LEU HB2 1 50 LYS H 3.500 . 4.000 3.161 1.786 4.080 0.080 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
82 1 49 LEU QD 1 50 LYS H 5.000 . 6.000 3.787 2.956 4.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
83 1 50 LYS HA 1 51 ASP H 4.000 . 5.000 3.405 2.796 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
84 1 50 LYS QB 1 51 ASP H 3.500 . 4.000 2.816 2.218 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
85 1 50 LYS QG 1 51 ASP H 4.000 . 5.000 3.943 2.311 4.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
86 1 51 ASP HA 1 52 GLY H 4.000 . 5.000 3.375 2.998 3.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
87 1 51 ASP H 1 52 GLY H 3.500 . 4.000 1.952 1.693 2.727 0.107 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
88 1 52 GLY HA3 1 53 TRP H 3.500 . 4.000 3.314 3.006 3.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
89 1 52 GLY HA2 1 53 TRP H 3.500 . 4.000 2.172 2.136 2.314 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
90 1 52 GLY H 1 53 TRP H 4.000 . 5.000 4.312 3.877 4.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
91 1 53 TRP HA 1 54 HIS H 3.000 . 3.500 2.248 2.141 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
92 1 53 TRP HB2 1 54 HIS H 4.000 . 5.000 4.564 4.527 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
93 1 53 TRP HE3 1 54 HIS H 4.000 . 5.000 4.065 3.392 4.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
94 1 54 HIS HA 1 55 MET H 3.000 . 3.500 2.183 2.132 2.277 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
95 1 54 HIS HB3 1 55 MET H 4.000 . 5.000 3.710 3.336 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
96 1 54 HIS HB2 1 55 MET H 4.000 . 5.000 4.500 4.350 4.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
97 1 55 MET HA 1 56 VAL MG2 4.500 . 5.500 4.181 3.769 5.471 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
98 1 55 MET HA 1 56 VAL H 4.000 . 5.000 2.167 2.093 2.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
99 1 56 VAL HA 1 57 CYS H 3.000 . 3.500 2.440 2.226 2.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
100 1 56 VAL MG1 1 57 CYS H 4.500 . 5.500 3.730 3.255 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
101 1 56 VAL MG2 1 57 CYS H 4.500 . 5.500 2.959 1.798 3.575 0.002 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
102 1 57 CYS HA 1 58 SER H 3.000 . 3.500 2.985 2.119 3.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
103 1 57 CYS HB2 1 58 SER H 4.000 . 5.000 4.335 2.943 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
104 1 59 GLN HA 1 60 SER H 4.000 . 5.000 3.118 2.331 3.277 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
105 1 59 GLN QB 1 60 SER H 4.000 . 5.000 3.926 3.814 4.045 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
106 1 58 SER H 1 59 GLN H 4.000 . 5.000 3.451 2.743 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
107 1 59 GLN H 1 60 SER H 4.000 . 5.000 2.630 1.989 3.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
108 1 60 SER HA 1 61 TRP H 3.000 . 3.500 2.484 2.363 2.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
109 1 60 SER HB3 1 61 TRP H 4.000 . 5.000 2.425 2.107 2.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
110 1 60 SER HB2 1 61 TRP H 4.000 . 5.000 3.480 3.163 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
111 1 60 SER H 1 61 TRP H 4.000 . 5.000 4.618 4.496 4.674 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
112 1 61 TRP HA 1 62 GLY H 4.000 . 5.000 3.558 3.521 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
113 1 62 GLY HA3 1 63 ARG H 4.000 . 5.000 3.040 2.131 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
114 1 62 GLY HA2 1 63 ARG H 4.000 . 5.000 3.102 2.449 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
115 1 61 TRP H 1 62 GLY H 3.500 . 4.000 3.865 3.355 4.046 0.046 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
116 1 63 ARG HA 1 64 SER H 3.000 . 3.500 2.530 2.112 3.511 0.011 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
117 1 63 ARG HB3 1 64 SER H 4.000 . 5.000 3.644 1.996 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
118 1 63 ARG HB2 1 64 SER H 4.000 . 5.000 4.042 1.864 4.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
119 1 63 ARG QG 1 64 SER H 4.000 . 5.000 4.403 3.534 4.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
120 1 62 GLY H 1 63 ARG H 3.500 . 4.000 2.725 1.945 3.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
121 1 63 ARG H 1 64 SER H 4.000 . 5.000 3.625 2.555 4.542 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
122 1 65 SER HA 1 66 LYS H 3.500 . 4.000 2.546 2.117 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
123 1 65 SER QB 1 66 LYS H 4.000 . 5.000 3.406 2.009 4.055 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
124 1 66 LYS HA 1 67 GLN H 3.500 . 4.000 2.522 2.092 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
125 1 66 LYS HB3 1 67 GLN H 4.000 . 5.000 3.771 2.045 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
126 1 66 LYS HB2 1 67 GLN H 4.000 . 5.000 4.030 3.088 4.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
127 1 67 GLN HA 1 68 TRP H 3.500 . 4.000 2.492 2.084 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
128 1 67 GLN QB 1 68 TRP H 4.000 . 5.000 3.278 1.735 4.022 0.065 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
129 1 68 TRP HA 1 69 GLU H 3.500 . 4.000 2.540 2.041 3.526 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
130 1 67 GLN H 1 68 TRP H 4.000 . 5.000 3.867 2.084 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
131 1 69 GLU HA 1 70 ASP H 4.000 . 5.000 3.283 2.215 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
132 1 69 GLU HB3 1 70 ASP H 4.000 . 5.000 3.403 1.860 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
133 1 69 GLU HB2 1 70 ASP H 4.000 . 5.000 3.685 2.027 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
134 1 69 GLU H 1 70 ASP H 4.000 . 5.000 2.840 1.865 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
135 1 70 ASP HA 1 71 PRO HD3 4.000 . 5.000 2.812 2.008 4.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
136 1 70 ASP HA 1 71 PRO HD2 3.500 . 4.000 2.736 2.010 4.038 0.038 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
137 1 71 PRO HA 1 72 SER H 4.000 . 5.000 2.924 2.254 3.577 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
138 1 71 PRO HB3 1 72 SER H 4.000 . 5.000 4.386 3.581 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
139 1 71 PRO HB2 1 72 SER H 4.000 . 5.000 4.139 2.355 4.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
140 1 71 PRO HD3 1 72 SER H 4.000 . 5.000 4.398 3.677 5.152 0.152 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
141 1 71 PRO HG3 1 72 SER H 4.000 . 5.000 4.764 3.136 5.134 0.134 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
142 1 72 SER HA 1 73 GLN H 4.000 . 5.000 2.890 2.109 3.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
143 1 73 GLN HA 1 74 ALA H 4.000 . 5.000 3.342 2.334 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
144 1 73 GLN HB3 1 74 ALA H 4.000 . 5.000 3.709 2.648 4.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
145 1 73 GLN HB2 1 74 ALA H 4.000 . 5.000 3.002 2.082 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
146 1 72 SER H 1 73 GLN QG 4.000 . 5.000 4.043 2.358 5.043 0.043 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
147 1 72 SER H 1 73 GLN H 3.500 . 4.000 3.772 1.810 4.285 0.285 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
148 1 74 ALA HA 1 75 SER H 3.500 . 4.000 2.929 2.740 3.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
149 1 74 ALA MB 1 75 SER H 4.500 . 5.500 3.603 3.470 3.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
150 1 75 SER HA 1 76 LYS H 4.000 . 5.000 3.521 3.462 3.571 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
151 1 75 SER H 1 76 LYS H 4.000 . 5.000 2.727 2.574 2.862 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
152 1 76 LYS HA 1 77 VAL H 4.000 . 5.000 3.518 3.446 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
153 1 76 LYS H 1 77 VAL H 4.000 . 5.000 2.674 2.535 2.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
154 1 77 VAL MG2 1 78 CYS HA 4.500 . 5.500 4.456 3.142 5.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
155 1 77 VAL HA 1 78 CYS H 4.000 . 5.000 3.587 3.564 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
156 1 77 VAL HB 1 78 CYS H 3.500 . 4.000 2.949 2.211 3.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
157 1 77 VAL MG2 1 78 CYS H 4.500 . 5.500 3.013 2.003 3.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
158 1 77 VAL H 1 78 CYS H 3.500 . 4.000 2.734 2.575 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
159 1 78 CYS HB3 1 79 GLN H 3.500 . 4.000 3.973 3.872 4.040 0.040 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
160 1 78 CYS HB2 1 79 GLN H 4.000 . 5.000 3.016 2.895 3.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
161 1 78 CYS H 1 79 GLN H 3.500 . 4.000 2.525 2.444 2.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
162 1 80 ARG HA 1 81 LEU H 4.000 . 5.000 3.451 3.350 3.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
163 1 80 ARG QB 1 81 LEU H 4.000 . 5.000 2.977 2.629 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
164 1 80 ARG H 1 81 LEU H 3.000 . 3.500 2.526 2.400 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
165 1 81 LEU HA 1 82 ASN H 4.000 . 5.000 3.109 2.999 3.209 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
166 1 81 LEU QB 1 82 ASN H 4.000 . 5.000 3.549 3.341 3.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
167 1 81 LEU H 1 82 ASN HA 4.000 . 5.000 4.503 4.383 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
168 1 82 ASN HA 1 83 CYS H 3.500 . 4.000 2.818 2.467 3.139 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
169 1 81 LEU H 1 82 ASN H 3.000 . 3.500 2.520 2.307 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
170 1 82 ASN H 1 83 CYS H 3.500 . 4.000 2.887 2.734 3.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
171 1 82 ASN HA 1 83 CYS HA 4.000 . 5.000 4.487 4.315 4.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
172 1 83 CYS HA 1 84 GLY HA3 4.000 . 5.000 4.395 4.209 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
173 1 83 CYS HA 1 84 GLY H 3.500 . 4.000 3.228 3.040 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
174 1 83 CYS HB3 1 84 GLY H 4.000 . 5.000 4.268 3.355 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
175 1 83 CYS HB2 1 84 GLY H 3.500 . 4.000 3.618 2.679 4.024 0.024 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
176 1 83 CYS H 1 84 GLY H 4.000 . 5.000 2.258 2.014 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
177 1 84 GLY HA3 1 85 ASP H 3.500 . 4.000 2.114 2.096 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
178 1 84 GLY HA2 1 85 ASP H 3.500 . 4.000 3.201 3.031 3.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
179 1 84 GLY H 1 85 ASP H 4.000 . 5.000 4.429 4.228 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
180 1 85 ASP HB3 1 86 PRO HD3 4.000 . 5.000 2.970 2.767 3.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
181 1 85 ASP HB3 1 86 PRO HD2 4.000 . 5.000 1.734 1.680 1.841 0.120 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
182 1 85 ASP HB2 1 86 PRO HD3 4.000 . 5.000 4.400 4.189 4.570 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
183 1 85 ASP HB2 1 86 PRO HD2 4.000 . 5.000 3.388 3.198 3.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
184 1 85 ASP HA 1 86 PRO HD3 3.000 . 3.500 2.544 2.274 2.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
185 1 85 ASP HA 1 86 PRO HG3 4.000 . 5.000 4.791 4.515 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
186 1 85 ASP HA 1 86 PRO HD2 2.500 . 3.000 3.001 2.823 3.065 0.065 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
187 1 86 PRO HA 1 87 LEU H 3.000 . 3.500 2.058 1.989 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
188 1 86 PRO HB3 1 87 LEU H 4.000 . 5.000 3.598 3.460 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
189 1 86 PRO HB2 1 87 LEU H 4.000 . 5.000 3.103 2.913 4.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
190 1 87 LEU HB3 1 88 SER H 4.000 . 5.000 3.832 3.527 3.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
191 1 87 LEU HB2 1 88 SER H 4.000 . 5.000 3.765 3.596 4.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
192 1 87 LEU QD 1 88 SER H 5.000 . 6.000 4.258 4.133 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
193 1 87 LEU H 1 88 SER H 3.500 . 4.000 4.203 3.630 4.264 0.264 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
194 1 88 SER HA 1 89 LEU H 3.000 . 3.500 2.295 2.137 2.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
195 1 88 SER HB2 1 89 LEU H 4.000 . 5.000 3.550 2.492 4.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
196 1 89 LEU HA 1 90 GLY H 3.500 . 4.000 2.126 2.070 2.215 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
197 1 89 LEU HB2 1 90 GLY H 4.000 . 5.000 4.320 4.026 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
198 1 89 LEU MD2 1 90 GLY H 4.500 . 5.500 3.259 2.123 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
199 1 90 GLY HA3 1 91 PRO QD 4.000 . 5.000 2.660 2.108 2.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
200 1 90 GLY HA2 1 91 PRO QD 3.500 . 4.000 2.185 1.964 2.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
201 1 91 PRO HA 1 92 PHE H 3.500 . 4.000 2.149 2.095 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
202 1 92 PHE QD 1 93 LEU MD2 4.500 . 5.500 4.370 2.258 5.523 0.023 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
203 1 92 PHE HA 1 93 LEU H 4.000 . 5.000 2.767 2.137 3.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
204 1 92 PHE HB2 1 93 LEU H 4.000 . 5.000 3.918 3.313 4.620 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
205 1 92 PHE QD 1 93 LEU H 4.000 . 5.000 3.159 2.029 4.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
206 1 94 LYS HB3 1 95 THR H 4.000 . 5.000 3.939 2.486 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
207 1 94 LYS HB2 1 95 THR H 4.000 . 5.000 4.128 3.088 4.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
208 1 95 THR MG 1 96 TYR HA 4.500 . 5.500 4.243 3.303 5.563 0.063 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
209 1 95 THR HA 1 96 TYR H 3.500 . 4.000 2.844 2.071 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
210 1 95 THR HB 1 96 TYR H 4.000 . 5.000 3.560 1.781 4.625 0.019 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
211 1 95 THR MG 1 96 TYR H 4.500 . 5.500 3.532 2.363 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
212 1 96 TYR HA 1 97 THR H 3.500 . 4.000 2.496 2.137 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
213 1 96 TYR HB3 1 97 THR H 4.000 . 5.000 3.354 1.776 4.312 0.024 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
214 1 96 TYR HB2 1 97 THR H 4.000 . 5.000 2.805 1.768 4.409 0.032 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
215 1 96 TYR H 1 97 THR H 4.000 . 5.000 4.477 3.756 4.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
216 1 97 THR MG 1 98 PRO QD 4.500 . 5.500 2.840 1.793 4.055 0.007 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
217 1 97 THR MG 1 98 PRO HA 4.500 . 5.500 4.670 4.194 5.609 0.109 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
218 1 98 PRO HA 1 99 GLN H 2.500 . 3.000 2.777 2.148 3.382 0.382 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
219 1 100 SER HB2 1 101 SER H 4.000 . 5.000 3.175 2.197 4.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
220 1 100 SER HA 1 101 SER H 4.000 . 5.000 3.505 3.353 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
221 1 101 SER HA 1 102 ILE H 3.500 . 4.000 2.360 2.182 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
222 1 101 SER QB 1 102 ILE H 3.500 . 4.000 2.803 2.110 3.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
223 1 102 ILE MD 1 103 ILE HB 4.500 . 5.500 5.239 4.904 5.544 0.044 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
224 1 102 ILE HA 1 103 ILE H 3.000 . 3.500 2.309 2.211 2.488 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
225 1 102 ILE HG12 1 103 ILE H 4.000 . 5.000 4.934 4.505 5.082 0.082 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
226 1 103 ILE HA 1 104 CYS H 3.000 . 3.500 2.264 2.184 2.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
227 1 103 ILE HG12 1 104 CYS H 4.000 . 5.000 4.708 4.511 4.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
228 1 103 ILE MG 1 104 CYS H 4.500 . 5.500 3.116 2.766 3.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
229 1 104 CYS HA 1 105 TYR H 3.000 . 3.500 2.457 2.147 3.527 0.027 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
230 1 104 CYS HB3 1 105 TYR H 4.000 . 5.000 2.631 2.209 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
231 1 104 CYS HB2 1 105 TYR H 4.000 . 5.000 3.363 2.583 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
232 1 105 TYR HA 1 106 GLY H 3.500 . 4.000 2.544 2.258 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
233 1 105 TYR HB3 1 106 GLY H 4.000 . 5.000 2.161 1.834 2.798 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
234 1 105 TYR HB2 1 106 GLY H 4.000 . 5.000 3.416 2.970 4.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
235 1 106 GLY HA3 1 107 GLN H 3.500 . 4.000 2.215 2.084 2.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
236 1 106 GLY HA2 1 107 GLN H 2.500 . 3.000 2.977 2.659 3.114 0.114 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
237 1 107 GLN HA 1 108 LEU H 2.500 . 3.000 2.190 2.099 2.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
238 1 107 GLN QB 1 108 LEU H 4.000 . 5.000 3.271 2.660 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
239 1 108 LEU QB 1 109 GLY H 4.000 . 5.000 3.796 1.991 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
240 1 108 LEU HA 1 109 GLY H 3.000 . 3.500 2.208 2.110 3.513 0.013 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
241 1 108 LEU MD1 1 109 GLY H 4.500 . 5.500 2.795 2.304 3.503 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
242 1 108 LEU HG 1 109 GLY H 4.000 . 5.000 3.518 1.892 5.015 0.015 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
243 1 109 GLY HA3 1 110 SER H 4.000 . 5.000 3.072 2.776 3.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
244 1 109 GLY HA2 1 110 SER H 4.000 . 5.000 3.410 2.664 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
245 1 109 GLY H 1 110 SER H 3.500 . 4.000 2.410 1.922 2.755 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
246 1 110 SER HA 1 111 PHE H 2.500 . 3.000 2.212 2.120 2.353 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
247 1 110 SER HB3 1 111 PHE H 4.000 . 5.000 4.112 3.786 4.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
248 1 111 PHE HA 1 112 SER H 4.000 . 5.000 2.721 2.354 2.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
249 1 111 PHE HB2 1 112 SER H 4.000 . 5.000 4.281 3.986 4.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
250 1 111 PHE H 1 112 SER H 3.000 . 3.500 3.249 2.838 3.671 0.171 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
251 1 112 SER H 1 113 ASN H 3.500 . 4.000 2.304 1.940 2.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
252 1 113 ASN HA 1 114 CYS H 2.500 . 3.000 2.250 2.130 2.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
253 1 113 ASN H 1 114 CYS H 4.000 . 5.000 4.286 3.707 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
254 1 114 CYS HA 1 115 SER H 3.000 . 3.500 2.599 2.439 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
255 1 114 CYS HB3 1 115 SER H 4.000 . 5.000 2.271 1.782 3.386 0.018 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
256 1 114 CYS HB2 1 115 SER H 4.000 . 5.000 3.298 2.728 3.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
257 1 114 CYS H 1 115 SER H 4.000 . 5.000 4.370 4.262 4.447 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
258 1 116 HIS HA 1 117 SER H 3.000 . 3.500 2.295 2.129 2.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
259 1 116 HIS QB 1 117 SER H 4.000 . 5.000 2.771 2.146 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
260 1 115 SER H 1 116 HIS H 4.000 . 5.000 4.370 4.246 4.431 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
261 1 117 SER HA 1 118 ARG H 3.500 . 4.000 2.310 2.077 3.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
262 1 117 SER QB 1 118 ARG H 4.000 . 5.000 3.868 3.471 4.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
263 1 118 ARG HA 1 119 ASN H 4.000 . 5.000 3.394 3.001 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
264 1 118 ARG HB2 1 119 ASN H 4.000 . 5.000 3.399 1.779 4.405 0.021 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
265 1 118 ARG H 1 119 ASN H 4.000 . 5.000 2.373 1.847 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
266 1 119 ASN HA 1 120 ASP H 3.500 . 4.000 2.577 2.103 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
267 1 119 ASN HB3 1 120 ASP H 4.000 . 5.000 3.615 2.214 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
268 1 120 ASP HA 1 121 MET H 3.000 . 3.500 2.975 2.076 3.527 0.027 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
269 1 120 ASP H 1 121 MET H 3.500 . 4.000 3.269 1.799 4.439 0.439 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
270 1 121 MET HA 1 122 CYS H 3.500 . 4.000 2.827 2.083 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
271 1 123 HIS HA 1 124 SER H 3.500 . 4.000 2.960 2.226 3.555 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
272 1 123 HIS QB 1 124 SER H 4.000 . 5.000 2.955 1.715 4.036 0.085 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
273 1 124 SER HA 1 125 LEU H 3.000 . 3.500 2.640 2.238 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
274 1 124 SER HB3 1 125 LEU H 4.000 . 5.000 4.533 3.996 4.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
275 1 124 SER HB2 1 125 LEU H 4.000 . 5.000 4.391 4.118 4.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
276 1 125 LEU HA 1 126 GLY H 3.500 . 4.000 2.181 2.076 2.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
277 1 125 LEU HB2 1 126 GLY H 4.000 . 5.000 4.228 3.927 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
278 1 126 GLY HA3 1 127 LEU H 3.500 . 4.000 2.627 2.254 3.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
279 1 126 GLY HA2 1 127 LEU H 3.500 . 4.000 2.454 2.073 2.855 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
280 1 127 LEU HA 1 128 THR H 3.000 . 3.500 2.219 2.071 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
281 1 126 GLY H 1 127 LEU MD2 4.500 . 5.500 5.588 5.533 5.657 0.157 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
282 1 127 LEU MD2 1 128 THR H 4.000 . 5.000 3.025 2.874 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
283 1 127 LEU HG 1 128 THR H 4.000 . 5.000 4.665 4.509 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
284 1 127 LEU H 1 128 THR HB 4.000 . 5.000 5.046 4.471 5.188 0.188 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
285 1 128 THR HA 1 129 CYS H 2.500 . 3.000 2.162 2.097 2.284 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
286 1 128 THR HB 1 129 CYS H 4.000 . 5.000 4.428 4.284 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
287 1 128 THR MG 1 129 CYS H 4.500 . 5.500 3.608 3.084 4.239 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
288 1 129 CYS HA 1 130 LEU H 3.500 . 4.000 2.068 1.956 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
289 1 129 CYS HB3 1 130 LEU H 4.000 . 5.000 3.572 2.863 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
290 1 129 CYS HB2 1 130 LEU H 4.000 . 5.000 4.270 1.743 4.446 0.057 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
291 1 130 LEU HA 1 131 GLU H 3.000 . 3.500 3.498 2.187 3.563 0.063 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
292 1 130 LEU QB 1 131 GLU H 4.000 . 5.000 2.210 1.770 3.986 0.030 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
293 1 130 LEU QD 1 131 GLU H 5.000 . 6.000 3.229 2.709 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 199
_Distance_constraint_stats_list.Viol_total 2351.070
_Distance_constraint_stats_list.Viol_max 0.465
_Distance_constraint_stats_list.Viol_rms 0.1307
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1176
_Distance_constraint_stats_list.Viol_average_violations_only 0.2363
_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 41 CYS 11.866 0.315 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 CYS 10.065 0.465 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 CYS 9.407 0.255 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 CYS 11.866 0.315 3 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 104 CYS 15.683 0.419 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 114 CYS 15.683 0.419 6 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 122 CYS 10.065 0.465 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 129 CYS 9.407 0.255 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 41 CYS SG 1 83 CYS SG 2.000 . 2.100 2.022 2.016 2.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
2 1 41 CYS CB 1 83 CYS CB 3.000 3.000 3.100 3.337 3.078 3.415 0.315 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
3 1 57 CYS SG 1 122 CYS SG 2.000 . 2.100 2.026 2.009 2.033 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
4 1 57 CYS CB 1 122 CYS CB 3.000 3.000 3.100 3.301 3.159 3.565 0.465 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
5 1 78 CYS SG 1 129 CYS SG 2.000 . 2.100 2.024 2.019 2.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
6 1 78 CYS CB 1 129 CYS CB 3.000 3.000 3.100 3.288 3.201 3.355 0.255 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
7 1 104 CYS SG 1 114 CYS SG 2.000 . 2.100 2.016 2.012 2.021 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
8 1 104 CYS CB 1 114 CYS CB 3.000 3.000 3.100 3.414 3.287 3.519 0.419 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 1096
_Distance_constraint_stats_list.Viol_total 1829.963
_Distance_constraint_stats_list.Viol_max 0.128
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0334
_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 23 LEU 1.405 0.083 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 SER 0.072 0.020 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 ASP 0.421 0.057 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 PHE 0.349 0.057 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 GLN 0.249 0.042 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ARG 2.374 0.116 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 THR 0.574 0.052 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 SER 1.208 0.068 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 CYS 2.172 0.077 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 GLN 1.208 0.068 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLY 0.464 0.060 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 GLN 0.574 0.052 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 LEU 0.406 0.053 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 GLU 2.374 0.116 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 VAL 2.130 0.075 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 TYR 0.249 0.042 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 LEU 0.434 0.090 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 GLY 0.434 0.090 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 HIS 2.130 0.075 22 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 MET 0.736 0.056 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 VAL 0.406 0.053 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 SER 1.107 0.056 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 62 GLY 1.107 0.056 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 SER 1.751 0.116 35 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 ALA 7.321 0.120 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 VAL 2.914 0.121 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 CYS 9.008 0.120 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 GLN 0.086 0.034 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 81 LEU 5.572 0.121 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 82 ASN 0.086 0.034 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 83 CYS 0.779 0.076 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 88 SER 1.990 0.110 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 90 GLY 2.854 0.112 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 92 PHE 0.866 0.084 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 97 THR 0.710 0.083 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 101 SER 0.710 0.083 15 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 102 ILE 0.736 0.056 37 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 103 ILE 1.544 0.095 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 107 GLN 0.241 0.077 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 110 SER 0.580 0.077 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 111 PHE 1.405 0.083 1 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 112 SER 0.339 0.060 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 115 SER 1.544 0.095 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 124 SER 0.866 0.084 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 126 GLY 2.854 0.112 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 127 LEU 0.464 0.060 9 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 128 THR 1.990 0.110 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 129 CYS 2.788 0.128 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 131 GLU 0.616 0.128 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 24 SER O 1 27 ASP H 1.800 . 2.300 2.150 1.952 2.320 0.020 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
2 1 24 SER O 1 27 ASP N 2.800 2.800 3.300 3.070 2.866 3.256 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
3 1 27 ASP O 1 30 PHE H 1.800 . 2.300 2.220 2.021 2.357 0.057 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
4 1 27 ASP O 1 30 PHE N 2.800 2.800 3.300 3.081 2.938 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
5 1 31 GLN O 1 48 TYR H 1.800 . 2.300 1.965 1.787 2.332 0.032 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
6 1 31 GLN O 1 48 TYR N 2.800 2.800 3.300 2.928 2.758 3.307 0.042 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
7 1 33 ARG H 1 46 GLU O 1.800 . 2.300 2.157 1.851 2.325 0.025 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
8 1 33 ARG N 1 46 GLU O 2.800 2.800 3.300 3.027 2.794 3.243 0.006 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
9 1 43 GLY H 1 127 LEU O 1.800 . 2.300 2.170 1.794 2.360 0.060 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
10 1 43 GLY N 1 127 LEU O 2.800 2.800 3.300 3.107 2.776 3.317 0.024 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
11 1 41 CYS O 1 129 CYS H 1.800 . 2.300 2.248 1.791 2.361 0.061 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
12 1 41 CYS O 1 129 CYS N 2.800 2.800 3.300 2.770 2.723 2.815 0.077 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
13 1 47 VAL H 1 54 HIS O 1.800 . 2.300 2.058 1.831 2.303 0.003 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
14 1 47 VAL N 1 54 HIS O 2.800 2.800 3.300 3.026 2.814 3.277 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
15 1 55 MET O 1 102 ILE H 1.800 . 2.300 1.923 1.781 2.279 0.019 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
16 1 55 MET O 1 102 ILE N 2.800 2.800 3.300 2.871 2.744 3.132 0.056 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
17 1 60 SER O 1 62 GLY H 1.800 . 2.300 2.012 1.861 2.156 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
18 1 60 SER O 1 62 GLY N 2.800 2.800 3.300 2.780 2.744 2.825 0.056 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
19 1 72 SER O 1 74 ALA H 1.800 . 2.300 2.023 1.781 2.379 0.079 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
20 1 72 SER O 1 74 ALA N 2.800 2.800 3.300 2.841 2.684 3.193 0.116 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
21 1 74 ALA O 1 77 VAL H 1.800 . 2.300 2.278 2.082 2.352 0.052 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
22 1 74 ALA O 1 77 VAL N 2.800 2.800 3.300 3.002 2.874 3.100 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
23 1 78 CYS O 1 83 CYS H 1.800 . 2.300 1.852 1.788 2.122 0.012 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
24 1 78 CYS O 1 83 CYS N 2.800 2.800 3.300 2.800 2.724 2.890 0.076 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
25 1 79 GLN O 1 82 ASN H 1.800 . 2.300 2.153 1.970 2.334 0.034 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
26 1 79 GLN O 1 82 ASN N 2.800 2.800 3.300 3.010 2.818 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
27 1 88 SER H 1 128 THR O 1.800 . 2.300 1.917 1.816 2.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
28 1 88 SER N 1 128 THR O 2.800 2.800 3.300 2.806 2.736 3.005 0.064 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
29 1 90 GLY H 1 126 GLY O 1.800 . 2.300 2.171 1.832 2.357 0.057 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
30 1 90 GLY N 1 126 GLY O 2.800 2.800 3.300 3.117 2.802 3.313 0.013 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
31 1 107 GLN O 1 110 SER H 1.800 . 2.300 2.011 1.790 2.377 0.077 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
32 1 107 GLN O 1 110 SER N 2.800 2.800 3.300 2.934 2.751 3.231 0.049 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
33 1 129 CYS O 1 131 GLU H 1.800 . 2.300 2.042 1.858 2.428 0.128 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
34 1 129 CYS O 1 131 GLU N 2.800 2.800 3.300 2.826 2.734 3.153 0.066 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
35 1 74 ALA O 1 78 CYS H 1.800 . 2.300 2.365 2.304 2.420 0.120 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
36 1 74 ALA O 1 78 CYS N 2.800 2.800 3.300 3.326 3.243 3.398 0.098 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
37 1 78 CYS O 1 81 LEU H 1.800 . 2.300 2.369 2.339 2.399 0.099 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
38 1 78 CYS O 1 81 LEU N 2.800 2.800 3.300 3.019 2.971 3.079 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
39 1 77 VAL O 1 81 LEU H 1.800 . 2.300 2.341 2.265 2.421 0.121 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
40 1 77 VAL O 1 81 LEU N 2.800 2.800 3.300 3.060 2.916 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
41 1 103 ILE H 1 115 SER O 1.800 . 2.300 2.019 1.823 2.381 0.081 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
42 1 103 ILE N 1 115 SER O 2.800 2.800 3.300 2.851 2.705 3.245 0.095 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
43 1 23 LEU O 1 111 PHE H 1.800 . 2.300 1.897 1.767 2.270 0.033 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
44 1 23 LEU O 1 111 PHE N 2.800 2.800 3.300 2.787 2.717 2.965 0.083 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
45 1 90 GLY O 1 126 GLY H 1.800 . 2.300 1.901 1.767 2.232 0.033 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
46 1 90 GLY O 1 126 GLY N 2.800 2.800 3.300 2.760 2.688 2.859 0.112 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
47 1 39 SER O 1 42 GLN H 1.800 . 2.300 2.310 2.022 2.368 0.068 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
48 1 39 SER O 1 42 GLN N 2.800 2.800 3.300 3.253 2.994 3.313 0.013 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
49 1 49 LEU O 1 52 GLY H 1.800 . 2.300 2.192 1.882 2.390 0.090 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
50 1 49 LEU O 1 52 GLY N 2.800 2.800 3.300 3.042 2.774 3.335 0.035 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
51 1 47 VAL O 1 54 HIS H 1.800 . 2.300 1.901 1.786 2.098 0.014 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
52 1 47 VAL O 1 54 HIS N 2.800 2.800 3.300 2.758 2.725 2.799 0.075 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
53 1 92 PHE H 1 124 SER O 1.800 . 2.300 1.970 1.779 2.362 0.062 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
54 1 92 PHE N 1 124 SER O 2.800 2.800 3.300 2.868 2.716 3.282 0.084 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
55 1 110 SER O 1 112 SER H 1.800 . 2.300 2.178 1.886 2.360 0.060 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
56 1 110 SER O 1 112 SER N 2.800 2.800 3.300 2.999 2.790 3.186 0.010 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
57 1 35 THR H 1 44 GLN O 1.800 . 2.300 1.986 1.783 2.278 0.017 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
58 1 35 THR N 1 44 GLN O 2.800 2.800 3.300 2.892 2.748 3.205 0.052 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
59 1 33 ARG O 1 46 GLU H 1.800 . 2.300 1.818 1.774 2.012 0.026 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
60 1 33 ARG O 1 46 GLU N 2.800 2.800 3.300 2.760 2.684 2.813 0.116 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
61 1 45 LEU O 1 56 VAL H 1.800 . 2.300 1.931 1.810 2.076 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
62 1 45 LEU O 1 56 VAL N 2.800 2.800 3.300 2.840 2.747 2.995 0.053 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
63 1 97 THR O 1 101 SER H 1.800 . 2.300 2.015 1.773 2.340 0.040 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
64 1 97 THR O 1 101 SER N 2.800 2.800 3.300 2.888 2.717 3.196 0.083 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
65 1 88 SER O 1 128 THR H 1.800 . 2.300 2.242 1.931 2.410 0.110 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
66 1 88 SER O 1 128 THR N 2.800 2.800 3.300 3.060 2.797 3.289 0.003 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 6
stop_
save_
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