NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437239 |
2k2j   |
15707 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k2j
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 570
_Distance_constraint_stats_list.Viol_count 553
_Distance_constraint_stats_list.Viol_total 934.589
_Distance_constraint_stats_list.Viol_max 0.727
_Distance_constraint_stats_list.Viol_rms 0.0297
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0845
_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 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.087 0.048 14 0 "[ . 1 . 2]"
1 11 GLU 1.750 0.259 19 0 "[ . 1 . 2]"
1 12 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 1.339 0.330 6 0 "[ . 1 . 2]"
1 14 GLN 3.529 0.727 17 1 "[ . 1 . + 2]"
1 15 GLN 0.078 0.078 9 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 1.481 0.251 13 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 3.803 0.265 13 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 3.704 0.534 3 1 "[ + . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.116 0.034 17 0 "[ . 1 . 2]"
1 50 MET 0.196 0.050 10 0 "[ . 1 . 2]"
1 51 GLU 0.364 0.048 11 0 "[ . 1 . 2]"
1 52 GLU 1.046 0.126 20 0 "[ . 1 . 2]"
1 53 ASP 0.064 0.064 20 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.415 0.083 10 0 "[ . 1 . 2]"
1 56 LEU 0.890 0.174 3 0 "[ . 1 . 2]"
1 58 SER 0.040 0.040 12 0 "[ . 1 . 2]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.340 0.037 8 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.039 0.039 9 0 "[ . 1 . 2]"
1 67 ASN 0.812 0.070 6 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASN 0.174 0.029 19 0 "[ . 1 . 2]"
1 71 VAL 0.026 0.026 6 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.047 0.047 18 0 "[ . 1 . 2]"
1 75 PRO 0.359 0.046 20 0 "[ . 1 . 2]"
1 76 GLN 2.797 0.255 12 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 5.889 0.478 15 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLN 0.508 0.076 1 0 "[ . 1 . 2]"
1 81 LYS 2.295 0.365 12 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.158 0.071 5 0 "[ . 1 . 2]"
1 87 LEU 0.215 0.215 11 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PRO 0.496 0.030 11 0 "[ . 1 . 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLN 0.388 0.102 10 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASP 0.362 0.087 12 0 "[ . 1 . 2]"
1 95 PRO 1.121 0.076 18 0 "[ . 1 . 2]"
1 96 PRO 0.849 0.044 14 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 1.125 0.101 19 0 "[ . 1 . 2]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASP 0.636 0.251 11 0 "[ . 1 . 2]"
1 103 ARG 0.632 0.368 14 0 "[ . 1 . 2]"
1 104 VAL 0.001 0.001 1 0 "[ . 1 . 2]"
1 105 GLU 0.619 0.187 20 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.133 0.133 20 0 "[ . 1 . 2]"
1 108 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLN 2.655 0.359 8 0 "[ . 1 . 2]"
1 113 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ILE 0.456 0.081 20 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLU 3.649 0.616 8 6 "[* * . + 1 - * *]"
1 117 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 TRP 0.076 0.049 9 0 "[ . 1 . 2]"
1 120 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.927 0.363 7 0 "[ . 1 . 2]"
1 122 ASP 0.038 0.038 15 0 "[ . 1 . 2]"
1 123 THR 0.011 0.011 13 0 "[ . 1 . 2]"
1 124 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LYS H 1 9 LYS HA 2.500 . 3.000 2.685 2.270 2.945 . 0 0 "[ . 1 . 2]" 1
2 1 9 LYS H 1 9 LYS QB 3.500 . 4.000 2.801 2.293 3.353 . 0 0 "[ . 1 . 2]" 1
3 1 9 LYS H 1 9 LYS QG 4.000 . 5.000 3.178 2.143 4.199 . 0 0 "[ . 1 . 2]" 1
4 1 10 ASP H 1 10 ASP HA 3.000 . 3.500 2.826 2.267 2.948 . 0 0 "[ . 1 . 2]" 1
5 1 10 ASP H 1 10 ASP HB3 3.500 . 4.000 3.449 2.552 4.048 0.048 14 0 "[ . 1 . 2]" 1
6 1 10 ASP H 1 10 ASP HB2 3.500 . 4.000 3.101 2.486 3.859 . 0 0 "[ . 1 . 2]" 1
7 1 11 GLU HA 1 11 GLU HG2 3.500 . 4.000 3.021 2.552 3.812 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLU HA 1 11 GLU HG3 3.000 . 3.500 3.166 2.571 3.759 0.259 19 0 "[ . 1 . 2]" 1
9 1 11 GLU H 1 11 GLU HA 2.500 . 3.000 2.812 2.268 2.947 . 0 0 "[ . 1 . 2]" 1
10 1 11 GLU H 1 11 GLU HB3 3.500 . 4.000 3.319 2.478 4.043 0.043 12 0 "[ . 1 . 2]" 1
11 1 11 GLU H 1 11 GLU HB2 3.500 . 4.000 2.884 2.473 3.886 . 0 0 "[ . 1 . 2]" 1
12 1 11 GLU H 1 11 GLU QG 3.500 . 4.000 3.091 2.152 4.111 0.111 8 0 "[ . 1 . 2]" 1
13 1 12 HIS HA 1 12 HIS HD2 4.000 . 5.000 3.791 3.022 4.529 . 0 0 "[ . 1 . 2]" 1
14 1 12 HIS HB3 1 12 HIS HD2 4.000 . 5.000 3.235 2.766 3.950 . 0 0 "[ . 1 . 2]" 1
15 1 12 HIS HB2 1 12 HIS HD2 4.000 . 5.000 3.558 2.835 3.948 . 0 0 "[ . 1 . 2]" 1
16 1 13 LYS HA 1 13 LYS QD 3.500 . 4.000 3.729 1.898 4.319 0.319 6 0 "[ . 1 . 2]" 1
17 1 13 LYS QB 1 13 LYS QE 4.000 . 5.000 2.683 1.928 3.643 . 0 0 "[ . 1 . 2]" 1
18 1 13 LYS QE 1 13 LYS HG3 3.500 . 4.000 2.721 2.308 3.519 . 0 0 "[ . 1 . 2]" 1
19 1 13 LYS QE 1 13 LYS HG2 3.500 . 4.000 2.863 2.343 3.511 . 0 0 "[ . 1 . 2]" 1
20 1 13 LYS HA 1 13 LYS QE 4.000 . 5.000 4.339 2.931 5.017 0.017 14 0 "[ . 1 . 2]" 1
21 1 13 LYS HA 1 13 LYS HG3 3.500 . 4.000 3.075 2.416 3.770 . 0 0 "[ . 1 . 2]" 1
22 1 13 LYS HA 1 13 LYS HG2 3.000 . 3.500 2.784 2.441 3.830 0.330 6 0 "[ . 1 . 2]" 1
23 1 13 LYS H 1 13 LYS HA 2.500 . 3.000 2.738 2.269 2.947 . 0 0 "[ . 1 . 2]" 1
24 1 13 LYS H 1 13 LYS QB 3.000 . 3.500 2.748 2.274 3.363 . 0 0 "[ . 1 . 2]" 1
25 1 13 LYS H 1 13 LYS HG3 4.000 . 5.000 3.334 2.176 4.801 . 0 0 "[ . 1 . 2]" 1
26 1 13 LYS H 1 13 LYS HG2 4.000 . 5.000 3.748 2.208 4.718 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLN HA 1 14 GLN HG2 4.000 . 5.000 3.394 2.315 3.899 . 0 0 "[ . 1 . 2]" 1
28 1 14 GLN HA 1 14 GLN HG3 3.500 . 4.000 3.420 3.147 3.667 . 0 0 "[ . 1 . 2]" 1
29 1 14 GLN HA 1 14 GLN HE22 4.000 . 5.000 4.296 3.226 4.895 . 0 0 "[ . 1 . 2]" 1
30 1 14 GLN H 1 14 GLN HB3 3.000 . 3.500 2.847 2.301 3.562 0.062 16 0 "[ . 1 . 2]" 1
31 1 14 GLN H 1 14 GLN HB2 2.500 . 3.000 2.675 2.099 3.043 0.043 18 0 "[ . 1 . 2]" 1
32 1 14 GLN HE22 1 14 GLN HG2 4.000 . 5.000 3.759 3.482 4.066 . 0 0 "[ . 1 . 2]" 1
33 1 14 GLN HE22 1 14 GLN HG3 4.000 . 5.000 3.648 3.480 4.056 . 0 0 "[ . 1 . 2]" 1
34 1 14 GLN H 1 14 GLN HG3 3.500 . 4.000 4.134 3.827 4.727 0.727 17 1 "[ . 1 . + 2]" 1
35 1 15 GLN HA 1 15 GLN HG3 3.500 . 4.000 3.009 2.578 3.768 . 0 0 "[ . 1 . 2]" 1
36 1 15 GLN HA 1 15 GLN HG2 3.000 . 3.500 2.823 2.529 3.578 0.078 9 0 "[ . 1 . 2]" 1
37 1 15 GLN H 1 15 GLN QB 3.500 . 4.000 2.750 2.581 3.273 . 0 0 "[ . 1 . 2]" 1
38 1 17 GLU HA 1 17 GLU HG3 3.500 . 4.000 2.948 2.452 3.143 . 0 0 "[ . 1 . 2]" 1
39 1 17 GLU HA 1 17 GLU HG2 3.500 . 4.000 2.863 2.560 3.685 . 0 0 "[ . 1 . 2]" 1
40 1 17 GLU H 1 17 GLU HB3 4.000 . 5.000 3.804 3.720 3.866 . 0 0 "[ . 1 . 2]" 1
41 1 17 GLU H 1 17 GLU HB2 3.500 . 4.000 2.692 2.542 2.794 . 0 0 "[ . 1 . 2]" 1
42 1 17 GLU H 1 17 GLU HG3 3.500 . 4.000 3.209 2.804 3.979 . 0 0 "[ . 1 . 2]" 1
43 1 17 GLU H 1 17 GLU HG2 4.000 . 5.000 4.098 3.924 4.395 . 0 0 "[ . 1 . 2]" 1
44 1 18 LEU HA 1 18 LEU MD1 4.500 . 5.500 3.768 3.764 3.777 . 0 0 "[ . 1 . 2]" 1
45 1 18 LEU HA 1 18 LEU MD2 3.500 . 4.000 1.971 1.854 2.087 . 0 0 "[ . 1 . 2]" 1
46 1 18 LEU HA 1 18 LEU HG 3.500 . 4.000 2.598 2.515 2.751 . 0 0 "[ . 1 . 2]" 1
47 1 18 LEU H 1 18 LEU HB3 4.000 . 5.000 3.511 3.403 3.650 . 0 0 "[ . 1 . 2]" 1
48 1 18 LEU H 1 18 LEU HB2 3.500 . 4.000 2.752 2.526 2.969 . 0 0 "[ . 1 . 2]" 1
49 1 18 LEU H 1 18 LEU HG 4.000 . 5.000 4.259 3.961 4.496 . 0 0 "[ . 1 . 2]" 1
50 1 19 TYR H 1 19 TYR HB2 4.000 . 5.000 2.602 2.488 2.736 . 0 0 "[ . 1 . 2]" 1
51 1 19 TYR H 1 19 TYR HB3 4.000 . 5.000 3.746 3.685 3.824 . 0 0 "[ . 1 . 2]" 1
52 1 19 TYR H 1 19 TYR QD 4.000 . 5.000 2.526 2.191 2.970 . 0 0 "[ . 1 . 2]" 1
53 1 19 TYR HB2 1 19 TYR QE 4.500 . 5.500 4.439 4.411 4.466 . 0 0 "[ . 1 . 2]" 1
54 1 19 TYR HB3 1 19 TYR QE 4.500 . 5.500 4.398 4.384 4.417 . 0 0 "[ . 1 . 2]" 1
55 1 20 MET HA 1 20 MET HG2 3.500 . 4.000 2.677 2.564 3.536 . 0 0 "[ . 1 . 2]" 1
56 1 20 MET HA 1 20 MET HG3 3.000 . 3.500 2.747 2.471 2.813 . 0 0 "[ . 1 . 2]" 1
57 1 20 MET H 1 20 MET HB3 4.000 . 5.000 3.758 3.694 3.854 . 0 0 "[ . 1 . 2]" 1
58 1 20 MET H 1 20 MET HB2 4.000 . 5.000 2.630 2.506 2.789 . 0 0 "[ . 1 . 2]" 1
59 1 20 MET H 1 20 MET HG3 4.000 . 5.000 3.313 2.921 3.499 . 0 0 "[ . 1 . 2]" 1
60 1 21 TRP HB3 1 21 TRP HE1 4.500 . 5.500 4.753 4.748 4.766 . 0 0 "[ . 1 . 2]" 1
61 1 21 TRP H 1 21 TRP HB3 3.500 . 4.000 2.407 2.359 2.453 . 0 0 "[ . 1 . 2]" 1
62 1 21 TRP HB2 1 21 TRP HE1 4.500 . 5.500 5.142 5.117 5.159 . 0 0 "[ . 1 . 2]" 1
63 1 21 TRP H 1 21 TRP HB2 3.500 . 4.000 2.668 2.607 2.794 . 0 0 "[ . 1 . 2]" 1
64 1 22 ASP H 1 22 ASP HB3 3.500 . 4.000 3.429 2.597 3.731 . 0 0 "[ . 1 . 2]" 1
65 1 22 ASP H 1 22 ASP HB2 3.500 . 4.000 2.511 2.459 2.583 . 0 0 "[ . 1 . 2]" 1
66 1 23 SER H 1 23 SER HB3 3.500 . 4.000 2.840 2.476 3.628 . 0 0 "[ . 1 . 2]" 1
67 1 23 SER H 1 23 SER HB2 3.500 . 4.000 3.286 2.444 3.605 . 0 0 "[ . 1 . 2]" 1
68 1 24 ILE HA 1 24 ILE MD 4.000 . 5.000 3.236 2.037 3.869 . 0 0 "[ . 1 . 2]" 1
69 1 24 ILE HA 1 24 ILE HG12 3.500 . 4.000 2.847 2.578 3.613 . 0 0 "[ . 1 . 2]" 1
70 1 24 ILE HA 1 24 ILE HG13 3.000 . 3.500 3.182 2.365 3.751 0.251 13 0 "[ . 1 . 2]" 1
71 1 24 ILE HA 1 24 ILE MG 3.000 . 3.500 2.378 2.364 2.439 . 0 0 "[ . 1 . 2]" 1
72 1 24 ILE H 1 24 ILE HB 3.000 . 3.500 2.555 2.468 2.613 . 0 0 "[ . 1 . 2]" 1
73 1 24 ILE H 1 24 ILE HG13 4.000 . 5.000 2.789 2.059 3.786 . 0 0 "[ . 1 . 2]" 1
74 1 24 ILE H 1 24 ILE HG12 3.500 . 4.000 3.165 2.057 3.907 . 0 0 "[ . 1 . 2]" 1
75 1 24 ILE H 1 24 ILE MG 4.000 . 5.000 3.789 3.766 3.839 . 0 0 "[ . 1 . 2]" 1
76 1 25 ASP H 1 25 ASP HB2 2.500 . 3.000 2.486 2.383 2.640 . 0 0 "[ . 1 . 2]" 1
77 1 25 ASP H 1 25 ASP HB3 3.500 . 4.000 3.683 3.618 3.776 . 0 0 "[ . 1 . 2]" 1
78 1 26 GLN HA 1 26 GLN QG 3.000 . 3.500 2.294 2.107 2.583 . 0 0 "[ . 1 . 2]" 1
79 1 26 GLN H 1 26 GLN HA 3.000 . 3.500 2.260 2.248 2.273 . 0 0 "[ . 1 . 2]" 1
80 1 26 GLN H 1 26 GLN HB3 3.500 . 4.000 4.042 3.988 4.070 0.070 19 0 "[ . 1 . 2]" 1
81 1 26 GLN HB2 1 26 GLN HE22 4.000 . 5.000 5.032 4.521 5.265 0.265 13 0 "[ . 1 . 2]" 1
82 1 26 GLN H 1 26 GLN HB2 4.000 . 5.000 3.330 3.137 3.477 . 0 0 "[ . 1 . 2]" 1
83 1 26 GLN HE22 1 26 GLN QG 3.500 . 4.000 3.211 3.191 3.277 . 0 0 "[ . 1 . 2]" 1
84 1 26 GLN H 1 26 GLN QG 3.500 . 4.000 2.992 2.545 3.684 . 0 0 "[ . 1 . 2]" 1
85 1 27 LYS HA 1 27 LYS QD 4.000 . 5.000 4.307 4.265 4.551 . 0 0 "[ . 1 . 2]" 1
86 1 27 LYS QB 1 27 LYS QE 4.000 . 5.000 3.318 2.045 3.659 . 0 0 "[ . 1 . 2]" 1
87 1 27 LYS QE 1 27 LYS QG 3.000 . 3.500 2.292 2.138 2.848 . 0 0 "[ . 1 . 2]" 1
88 1 27 LYS HA 1 27 LYS QE 5.000 . 6.000 5.374 4.303 5.698 . 0 0 "[ . 1 . 2]" 1
89 1 27 LYS HA 1 27 LYS QG 3.500 . 4.000 3.340 3.325 3.349 . 0 0 "[ . 1 . 2]" 1
90 1 27 LYS H 1 27 LYS QG 4.000 . 5.000 2.700 2.563 2.793 . 0 0 "[ . 1 . 2]" 1
91 1 28 TRP H 1 28 TRP QB 3.500 . 4.000 2.410 2.337 2.468 . 0 0 "[ . 1 . 2]" 1
92 1 28 TRP H 1 28 TRP HD1 4.000 . 5.000 3.122 2.896 3.428 . 0 0 "[ . 1 . 2]" 1
93 1 28 TRP HA 1 28 TRP HE3 4.000 . 5.000 2.994 2.663 3.168 . 0 0 "[ . 1 . 2]" 1
94 1 29 THR HA 1 29 THR MG 3.500 . 4.000 2.345 2.274 2.447 . 0 0 "[ . 1 . 2]" 1
95 1 29 THR H 1 29 THR HB 4.000 . 5.000 3.762 3.659 3.856 . 0 0 "[ . 1 . 2]" 1
96 1 29 THR H 1 29 THR MG 4.500 . 5.500 2.792 2.478 3.045 . 0 0 "[ . 1 . 2]" 1
97 1 30 ARG HA 1 30 ARG HD3 4.000 . 5.000 4.775 4.190 4.894 . 0 0 "[ . 1 . 2]" 1
98 1 30 ARG HA 1 30 ARG HD2 4.000 . 5.000 4.686 4.640 4.701 . 0 0 "[ . 1 . 2]" 1
99 1 30 ARG QB 1 30 ARG HD3 3.500 . 4.000 3.199 2.344 3.296 . 0 0 "[ . 1 . 2]" 1
100 1 30 ARG QB 1 30 ARG HD2 3.500 . 4.000 2.393 2.359 2.418 . 0 0 "[ . 1 . 2]" 1
101 1 30 ARG HA 1 30 ARG HG3 3.500 . 4.000 2.624 2.532 3.154 . 0 0 "[ . 1 . 2]" 1
102 1 30 ARG HA 1 30 ARG HG2 3.500 . 4.000 3.072 2.424 3.175 . 0 0 "[ . 1 . 2]" 1
103 1 30 ARG QB 1 30 ARG HE 4.000 . 5.000 2.205 1.937 3.941 . 0 0 "[ . 1 . 2]" 1
104 1 30 ARG HE 1 30 ARG HG3 4.000 . 5.000 2.567 2.498 2.622 . 0 0 "[ . 1 . 2]" 1
105 1 31 HIS H 1 31 HIS HB3 4.000 . 5.000 3.734 3.339 3.865 . 0 0 "[ . 1 . 2]" 1
106 1 31 HIS H 1 31 HIS HB2 4.000 . 5.000 2.925 2.540 3.750 . 0 0 "[ . 1 . 2]" 1
107 1 31 HIS H 1 31 HIS HD2 4.000 . 5.000 2.942 2.481 3.393 . 0 0 "[ . 1 . 2]" 1
108 1 32 TYR H 1 32 TYR HB2 3.500 . 4.000 2.740 2.566 2.981 . 0 0 "[ . 1 . 2]" 1
109 1 32 TYR H 1 32 TYR HB3 4.000 . 5.000 2.574 2.524 2.687 . 0 0 "[ . 1 . 2]" 1
110 1 32 TYR H 1 32 TYR QD 4.500 . 5.500 4.255 4.209 4.317 . 0 0 "[ . 1 . 2]" 1
111 1 32 TYR HA 1 32 TYR QD 4.000 . 5.000 2.826 2.710 2.995 . 0 0 "[ . 1 . 2]" 1
112 1 33 CYS H 1 33 CYS QB 3.500 . 4.000 2.402 2.272 2.914 . 0 0 "[ . 1 . 2]" 1
113 1 35 ILE HA 1 35 ILE MD 4.500 . 5.500 3.828 3.785 3.847 . 0 0 "[ . 1 . 2]" 1
114 1 35 ILE HA 1 35 ILE HG13 3.500 . 4.000 2.953 2.926 2.993 . 0 0 "[ . 1 . 2]" 1
115 1 35 ILE HA 1 35 ILE MG 3.500 . 4.000 2.419 2.392 2.475 . 0 0 "[ . 1 . 2]" 1
116 1 35 ILE HB 1 35 ILE MD 3.000 . 3.500 2.406 2.383 2.439 . 0 0 "[ . 1 . 2]" 1
117 1 35 ILE HA 1 35 ILE HG12 3.000 . 3.500 2.526 2.435 2.570 . 0 0 "[ . 1 . 2]" 1
118 1 35 ILE H 1 35 ILE HA 3.000 . 3.500 2.906 2.903 2.908 . 0 0 "[ . 1 . 2]" 1
119 1 35 ILE H 1 35 ILE HB 3.000 . 3.500 2.480 2.416 2.514 . 0 0 "[ . 1 . 2]" 1
120 1 35 ILE H 1 35 ILE HG12 4.000 . 5.000 3.696 3.639 3.779 . 0 0 "[ . 1 . 2]" 1
121 1 35 ILE H 1 35 ILE HG13 4.000 . 5.000 2.446 2.375 2.612 . 0 0 "[ . 1 . 2]" 1
122 1 35 ILE H 1 35 ILE MG 4.000 . 5.000 3.777 3.749 3.791 . 0 0 "[ . 1 . 2]" 1
123 1 37 ASP H 1 37 ASP HB3 4.000 . 5.000 3.924 3.572 4.081 . 0 0 "[ . 1 . 2]" 1
124 1 37 ASP H 1 37 ASP HB2 4.000 . 5.000 3.463 3.168 3.609 . 0 0 "[ . 1 . 2]" 1
125 1 39 LYS HA 1 39 LYS HD3 4.000 . 5.000 4.294 4.148 4.548 . 0 0 "[ . 1 . 2]" 1
126 1 39 LYS HA 1 39 LYS QE 5.000 . 6.000 4.658 4.354 5.015 . 0 0 "[ . 1 . 2]" 1
127 1 39 LYS HB2 1 39 LYS QE 3.500 . 4.000 3.851 2.233 4.212 0.212 8 0 "[ . 1 . 2]" 1
128 1 39 LYS HB3 1 39 LYS HD2 3.000 . 3.500 2.854 2.295 3.044 . 0 0 "[ . 1 . 2]" 1
129 1 39 LYS HB2 1 39 LYS HD2 3.000 . 3.500 2.502 2.402 2.899 . 0 0 "[ . 1 . 2]" 1
130 1 39 LYS QE 1 39 LYS HG2 3.000 . 3.500 2.603 2.406 3.245 . 0 0 "[ . 1 . 2]" 1
131 1 39 LYS QE 1 39 LYS HG3 2.500 . 3.000 2.400 2.228 2.822 . 0 0 "[ . 1 . 2]" 1
132 1 39 LYS HA 1 39 LYS HD2 4.000 . 5.000 4.582 4.289 4.669 . 0 0 "[ . 1 . 2]" 1
133 1 39 LYS HA 1 39 LYS HG2 3.000 . 3.500 2.441 2.340 2.528 . 0 0 "[ . 1 . 2]" 1
134 1 39 LYS HA 1 39 LYS HG3 2.500 . 3.000 3.037 2.758 3.220 0.220 8 0 "[ . 1 . 2]" 1
135 1 39 LYS H 1 39 LYS HB3 3.500 . 4.000 3.699 3.574 3.800 . 0 0 "[ . 1 . 2]" 1
136 1 39 LYS H 1 39 LYS HB2 3.500 . 4.000 2.531 2.400 2.683 . 0 0 "[ . 1 . 2]" 1
137 1 39 LYS H 1 39 LYS QE 4.000 . 5.000 5.005 4.340 5.114 0.114 14 0 "[ . 1 . 2]" 1
138 1 39 LYS H 1 39 LYS HG2 3.500 . 4.000 4.016 3.500 4.534 0.534 3 1 "[ + . 1 . 2]" 1
139 1 40 LEU HA 1 40 LEU MD1 3.500 . 4.000 2.233 2.115 2.298 . 0 0 "[ . 1 . 2]" 1
140 1 40 LEU HA 1 40 LEU MD2 3.500 . 4.000 3.935 3.913 3.958 . 0 0 "[ . 1 . 2]" 1
141 1 40 LEU HA 1 40 LEU HG 3.500 . 4.000 3.292 3.158 3.369 . 0 0 "[ . 1 . 2]" 1
142 1 40 LEU H 1 40 LEU QB 3.500 . 4.000 2.376 2.287 2.509 . 0 0 "[ . 1 . 2]" 1
143 1 40 LEU H 1 40 LEU QD 4.000 . 5.000 3.888 3.840 3.958 . 0 0 "[ . 1 . 2]" 1
144 1 40 LEU H 1 40 LEU HG 4.000 . 5.000 4.244 4.136 4.303 . 0 0 "[ . 1 . 2]" 1
145 1 42 PHE H 1 42 PHE HB3 4.000 . 5.000 3.021 2.935 3.171 . 0 0 "[ . 1 . 2]" 1
146 1 42 PHE H 1 42 PHE HB2 4.000 . 5.000 3.689 3.603 3.746 . 0 0 "[ . 1 . 2]" 1
147 1 42 PHE H 1 42 PHE QD 4.500 . 5.500 2.438 2.208 2.702 . 0 0 "[ . 1 . 2]" 1
148 1 42 PHE H 1 42 PHE QE 4.500 . 5.500 3.900 3.836 3.979 . 0 0 "[ . 1 . 2]" 1
149 1 44 ASP H 1 44 ASP HA 3.000 . 3.500 2.838 2.805 2.897 . 0 0 "[ . 1 . 2]" 1
150 1 44 ASP H 1 44 ASP QB 3.500 . 4.000 2.449 2.253 2.652 . 0 0 "[ . 1 . 2]" 1
151 1 45 ASP H 1 45 ASP HB2 3.500 . 4.000 2.703 2.584 2.807 . 0 0 "[ . 1 . 2]" 1
152 1 45 ASP H 1 45 ASP HB3 3.500 . 4.000 3.581 3.561 3.593 . 0 0 "[ . 1 . 2]" 1
153 1 46 ILE HA 1 46 ILE MD 4.500 . 5.500 4.184 4.179 4.186 . 0 0 "[ . 1 . 2]" 1
154 1 46 ILE HA 1 46 ILE HG12 3.500 . 4.000 3.736 3.716 3.755 . 0 0 "[ . 1 . 2]" 1
155 1 46 ILE HA 1 46 ILE MG 3.500 . 4.000 2.320 2.297 2.342 . 0 0 "[ . 1 . 2]" 1
156 1 46 ILE HB 1 46 ILE MD 3.500 . 4.000 2.408 2.392 2.419 . 0 0 "[ . 1 . 2]" 1
157 1 46 ILE HA 1 46 ILE HG13 3.500 . 4.000 3.697 3.680 3.708 . 0 0 "[ . 1 . 2]" 1
158 1 46 ILE H 1 46 ILE HA 3.000 . 3.500 2.925 2.868 2.948 . 0 0 "[ . 1 . 2]" 1
159 1 46 ILE H 1 46 ILE HB 3.500 . 4.000 3.691 3.625 3.755 . 0 0 "[ . 1 . 2]" 1
160 1 46 ILE H 1 46 ILE MD 4.500 . 5.500 3.700 3.604 3.801 . 0 0 "[ . 1 . 2]" 1
161 1 46 ILE H 1 46 ILE HG12 4.000 . 5.000 2.020 1.914 2.142 . 0 0 "[ . 1 . 2]" 1
162 1 46 ILE H 1 46 ILE MG 3.500 . 4.000 2.589 2.345 2.784 . 0 0 "[ . 1 . 2]" 1
163 1 47 GLU HA 1 47 GLU HG2 3.500 . 4.000 3.595 2.477 3.735 . 0 0 "[ . 1 . 2]" 1
164 1 47 GLU HA 1 47 GLU HG3 3.500 . 4.000 3.718 3.225 3.800 . 0 0 "[ . 1 . 2]" 1
165 1 47 GLU H 1 47 GLU HB3 3.500 . 4.000 3.431 3.111 3.661 . 0 0 "[ . 1 . 2]" 1
166 1 47 GLU H 1 47 GLU HB2 3.500 . 4.000 3.753 2.496 3.999 . 0 0 "[ . 1 . 2]" 1
167 1 47 GLU H 1 47 GLU HG2 3.500 . 4.000 2.602 2.108 3.515 . 0 0 "[ . 1 . 2]" 1
168 1 47 GLU H 1 47 GLU HG3 3.500 . 4.000 3.049 2.462 3.330 . 0 0 "[ . 1 . 2]" 1
169 1 48 GLN HA 1 48 GLN QG 3.000 . 3.500 2.764 2.335 2.977 . 0 0 "[ . 1 . 2]" 1
170 1 48 GLN H 1 48 GLN HB3 3.500 . 4.000 3.386 2.508 3.691 . 0 0 "[ . 1 . 2]" 1
171 1 48 GLN H 1 48 GLN HB2 3.500 . 4.000 2.501 2.455 2.630 . 0 0 "[ . 1 . 2]" 1
172 1 48 GLN HE22 1 48 GLN QG 3.500 . 4.000 3.306 3.216 3.484 . 0 0 "[ . 1 . 2]" 1
173 1 48 GLN H 1 48 GLN QG 4.000 . 5.000 2.850 2.184 4.107 . 0 0 "[ . 1 . 2]" 1
174 1 49 THR HA 1 49 THR MG 3.000 . 3.500 2.358 2.297 2.413 . 0 0 "[ . 1 . 2]" 1
175 1 49 THR H 1 49 THR HA 3.000 . 3.500 2.641 2.265 2.782 . 0 0 "[ . 1 . 2]" 1
176 1 49 THR H 1 49 THR HB 3.500 . 4.000 3.717 3.613 4.034 0.034 17 0 "[ . 1 . 2]" 1
177 1 49 THR H 1 49 THR MG 4.500 . 5.500 2.184 1.973 2.628 . 0 0 "[ . 1 . 2]" 1
178 1 50 MET HA 1 50 MET ME 4.000 . 5.000 3.836 2.668 4.696 . 0 0 "[ . 1 . 2]" 1
179 1 50 MET HA 1 50 MET QG 3.500 . 4.000 2.747 2.436 3.061 . 0 0 "[ . 1 . 2]" 1
180 1 50 MET H 1 50 MET HA 3.000 . 3.500 2.764 2.268 2.947 . 0 0 "[ . 1 . 2]" 1
181 1 50 MET H 1 50 MET HB3 3.500 . 4.000 3.776 3.638 4.050 0.050 10 0 "[ . 1 . 2]" 1
182 1 50 MET H 1 50 MET HB2 3.500 . 4.000 2.800 2.465 3.642 . 0 0 "[ . 1 . 2]" 1
183 1 50 MET H 1 50 MET QG 4.000 . 5.000 2.659 2.289 2.932 . 0 0 "[ . 1 . 2]" 1
184 1 51 GLU HA 1 51 GLU HG3 2.500 . 3.000 2.976 2.548 3.036 0.036 15 0 "[ . 1 . 2]" 1
185 1 51 GLU HA 1 51 GLU HG2 2.500 . 3.000 2.547 2.460 2.585 . 0 0 "[ . 1 . 2]" 1
186 1 51 GLU H 1 51 GLU HA 2.500 . 3.000 2.829 2.269 2.945 . 0 0 "[ . 1 . 2]" 1
187 1 51 GLU H 1 51 GLU HB2 3.500 . 4.000 2.588 2.198 3.455 . 0 0 "[ . 1 . 2]" 1
188 1 51 GLU H 1 51 GLU HB3 3.500 2.300 4.000 3.673 3.394 4.048 0.048 11 0 "[ . 1 . 2]" 1
189 1 51 GLU H 1 51 GLU QG 3.500 . 4.000 2.604 2.095 3.631 . 0 0 "[ . 1 . 2]" 1
190 1 52 GLU H 1 52 GLU HA 2.500 . 3.000 2.850 2.796 2.945 . 0 0 "[ . 1 . 2]" 1
191 1 52 GLU H 1 52 GLU HB3 3.000 . 3.500 3.054 2.499 3.626 0.126 20 0 "[ . 1 . 2]" 1
192 1 52 GLU H 1 52 GLU HB2 3.000 . 3.500 2.572 2.413 3.602 0.102 7 0 "[ . 1 . 2]" 1
193 1 52 GLU H 1 52 GLU QG 3.500 . 4.000 3.221 2.103 4.109 0.109 10 0 "[ . 1 . 2]" 1
194 1 53 ASP H 1 53 ASP HA 3.000 . 3.500 2.873 2.268 2.949 . 0 0 "[ . 1 . 2]" 1
195 1 53 ASP H 1 53 ASP HB3 3.500 . 4.000 3.478 2.663 4.064 0.064 20 0 "[ . 1 . 2]" 1
196 1 53 ASP H 1 53 ASP HB2 3.500 . 4.000 2.983 2.476 3.878 . 0 0 "[ . 1 . 2]" 1
197 1 54 ASN QB 1 54 ASN HD22 3.500 . 4.000 3.301 3.213 3.477 . 0 0 "[ . 1 . 2]" 1
198 1 54 ASN H 1 54 ASN QB 3.500 . 4.000 3.120 2.665 3.376 . 0 0 "[ . 1 . 2]" 1
199 1 55 PRO HB3 1 55 PRO QD 3.500 . 4.000 3.503 3.146 3.528 . 0 0 "[ . 1 . 2]" 1
200 1 55 PRO HA 1 55 PRO QD 4.000 . 5.000 3.467 3.433 3.530 . 0 0 "[ . 1 . 2]" 1
201 1 55 PRO HB2 1 55 PRO QD 3.000 . 3.500 2.921 2.853 3.531 0.031 6 0 "[ . 1 . 2]" 1
202 1 55 PRO HA 1 55 PRO HG2 3.500 . 4.000 4.011 3.928 4.083 0.083 10 0 "[ . 1 . 2]" 1
203 1 55 PRO HA 1 55 PRO HG3 3.500 . 4.000 3.231 3.074 4.006 0.006 6 0 "[ . 1 . 2]" 1
204 1 56 LEU HB3 1 56 LEU MD2 3.000 . 3.500 2.285 2.250 2.314 . 0 0 "[ . 1 . 2]" 1
205 1 56 LEU HA 1 56 LEU MD1 3.000 . 3.500 2.168 2.037 3.674 0.174 3 0 "[ . 1 . 2]" 1
206 1 56 LEU HA 1 56 LEU MD2 3.500 . 4.000 3.835 2.972 3.898 . 0 0 "[ . 1 . 2]" 1
207 1 56 LEU HA 1 56 LEU HG 2.500 . 3.000 2.972 2.397 3.048 0.048 8 0 "[ . 1 . 2]" 1
208 1 56 LEU HB3 1 56 LEU MD1 3.000 . 3.500 3.161 2.526 3.199 . 0 0 "[ . 1 . 2]" 1
209 1 56 LEU H 1 56 LEU HB2 3.000 . 3.500 3.001 2.316 3.448 . 0 0 "[ . 1 . 2]" 1
210 1 56 LEU H 1 56 LEU HB3 3.000 . 3.500 2.927 2.496 3.554 0.054 8 0 "[ . 1 . 2]" 1
211 1 56 LEU H 1 56 LEU QD 4.000 . 5.000 3.860 2.892 4.094 . 0 0 "[ . 1 . 2]" 1
212 1 58 SER H 1 58 SER HB3 3.500 . 4.000 3.103 2.478 4.040 0.040 12 0 "[ . 1 . 2]" 1
213 1 58 SER H 1 58 SER HB2 3.500 . 4.000 3.210 2.499 3.992 . 0 0 "[ . 1 . 2]" 1
214 1 59 LEU HA 1 59 LEU MD1 3.500 . 4.000 2.573 2.030 3.644 . 0 0 "[ . 1 . 2]" 1
215 1 59 LEU HA 1 59 LEU MD2 3.500 . 4.000 2.886 1.869 3.905 . 0 0 "[ . 1 . 2]" 1
216 1 59 LEU H 1 59 LEU HA 2.500 . 3.000 2.850 2.270 2.943 . 0 0 "[ . 1 . 2]" 1
217 1 59 LEU H 1 59 LEU HB3 3.500 . 4.000 2.733 2.445 3.553 . 0 0 "[ . 1 . 2]" 1
218 1 59 LEU H 1 59 LEU HB2 3.500 . 4.000 2.564 2.052 3.121 . 0 0 "[ . 1 . 2]" 1
219 1 59 LEU H 1 59 LEU MD1 4.000 . 5.000 4.220 3.964 4.453 . 0 0 "[ . 1 . 2]" 1
220 1 60 CYS H 1 60 CYS HA 2.500 . 3.000 2.719 2.267 2.941 . 0 0 "[ . 1 . 2]" 1
221 1 60 CYS H 1 60 CYS QB 3.500 . 4.000 2.631 2.247 3.349 . 0 0 "[ . 1 . 2]" 1
222 1 61 ARG HA 1 61 ARG QD 3.500 . 4.000 2.308 2.000 3.075 . 0 0 "[ . 1 . 2]" 1
223 1 61 ARG HA 1 61 ARG QG 3.000 . 3.500 2.885 2.753 3.013 . 0 0 "[ . 1 . 2]" 1
224 1 61 ARG HB3 1 61 ARG QD 3.500 . 4.000 3.049 2.298 3.541 . 0 0 "[ . 1 . 2]" 1
225 1 61 ARG HB2 1 61 ARG QD 3.500 . 4.000 2.807 2.310 3.508 . 0 0 "[ . 1 . 2]" 1
226 1 61 ARG H 1 61 ARG QB 3.500 . 4.000 2.337 2.250 2.451 . 0 0 "[ . 1 . 2]" 1
227 1 61 ARG H 1 61 ARG QD 4.000 . 5.000 4.217 3.741 4.721 . 0 0 "[ . 1 . 2]" 1
228 1 61 ARG H 1 61 ARG QG 3.500 . 4.000 3.441 2.456 4.037 0.037 8 0 "[ . 1 . 2]" 1
229 1 63 ILE HA 1 63 ILE MD 4.000 . 5.000 3.830 3.795 3.863 . 0 0 "[ . 1 . 2]" 1
230 1 63 ILE HA 1 63 ILE HG13 3.500 . 4.000 3.082 2.996 3.195 . 0 0 "[ . 1 . 2]" 1
231 1 63 ILE HA 1 63 ILE MG 3.500 . 4.000 2.376 2.310 2.430 . 0 0 "[ . 1 . 2]" 1
232 1 63 ILE HB 1 63 ILE MD 3.500 . 4.000 2.444 2.418 2.482 . 0 0 "[ . 1 . 2]" 1
233 1 63 ILE HA 1 63 ILE HG12 3.500 . 4.000 2.542 2.468 2.626 . 0 0 "[ . 1 . 2]" 1
234 1 63 ILE H 1 63 ILE HB 3.500 . 4.000 2.789 2.586 2.926 . 0 0 "[ . 1 . 2]" 1
235 1 63 ILE H 1 63 ILE HG13 4.000 . 5.000 2.959 2.723 3.139 . 0 0 "[ . 1 . 2]" 1
236 1 63 ILE H 1 63 ILE HG12 4.000 . 5.000 4.000 3.837 4.184 . 0 0 "[ . 1 . 2]" 1
237 1 63 ILE H 1 63 ILE MG 4.000 . 5.000 3.905 3.827 3.967 . 0 0 "[ . 1 . 2]" 1
238 1 64 LEU HA 1 64 LEU MD1 3.500 . 4.000 1.952 1.817 2.660 . 0 0 "[ . 1 . 2]" 1
239 1 64 LEU HA 1 64 LEU HG 4.000 . 5.000 3.489 2.963 3.742 . 0 0 "[ . 1 . 2]" 1
240 1 64 LEU HA 1 64 LEU MD2 4.000 . 5.000 3.135 1.917 3.823 . 0 0 "[ . 1 . 2]" 1
241 1 64 LEU H 1 64 LEU MD2 4.000 . 5.000 3.102 2.073 4.474 . 0 0 "[ . 1 . 2]" 1
242 1 64 LEU H 1 64 LEU MD1 4.500 . 5.500 3.848 3.548 4.224 . 0 0 "[ . 1 . 2]" 1
243 1 65 ASP H 1 65 ASP HB3 3.500 . 4.000 3.318 2.551 3.597 . 0 0 "[ . 1 . 2]" 1
244 1 65 ASP H 1 65 ASP HB2 3.500 . 4.000 2.840 2.290 3.596 . 0 0 "[ . 1 . 2]" 1
245 1 66 LEU HA 1 66 LEU QD . . 3.500 1.992 1.828 2.077 . 0 0 "[ . 1 . 2]" 1
246 1 66 LEU HA 1 66 LEU HG 3.500 . 4.000 3.047 2.927 3.686 . 0 0 "[ . 1 . 2]" 1
247 1 66 LEU H 1 66 LEU HB3 4.000 . 5.000 3.929 3.582 4.090 . 0 0 "[ . 1 . 2]" 1
248 1 66 LEU H 1 66 LEU HB2 4.000 . 5.000 3.185 2.401 3.517 . 0 0 "[ . 1 . 2]" 1
249 1 66 LEU H 1 66 LEU QD 4.000 . 5.000 3.025 1.761 3.185 0.039 9 0 "[ . 1 . 2]" 1
250 1 66 LEU H 1 66 LEU HG 3.500 . 4.000 2.826 2.037 3.881 . 0 0 "[ . 1 . 2]" 1
251 1 67 ASN HB3 1 67 ASN HD22 4.000 . 5.000 3.791 3.487 4.064 . 0 0 "[ . 1 . 2]" 1
252 1 67 ASN H 1 67 ASN HB3 3.500 . 4.000 3.683 3.589 4.070 0.070 6 0 "[ . 1 . 2]" 1
253 1 67 ASN HB2 1 67 ASN HD22 3.500 . 4.000 3.859 3.467 4.064 0.064 14 0 "[ . 1 . 2]" 1
254 1 67 ASN H 1 67 ASN HB2 3.500 . 4.000 2.535 2.390 3.585 . 0 0 "[ . 1 . 2]" 1
255 1 67 ASN H 1 67 ASN HD21 4.000 . 5.000 3.622 2.475 4.794 . 0 0 "[ . 1 . 2]" 1
256 1 67 ASN H 1 67 ASN HD22 4.000 . 5.000 4.416 3.760 5.026 0.026 5 0 "[ . 1 . 2]" 1
257 1 68 THR HA 1 68 THR MG 3.500 . 4.000 2.502 2.234 3.209 . 0 0 "[ . 1 . 2]" 1
258 1 68 THR H 1 68 THR HB 4.000 . 5.000 3.769 3.237 3.907 . 0 0 "[ . 1 . 2]" 1
259 1 68 THR H 1 68 THR MG 4.000 . 5.000 2.953 2.294 3.288 . 0 0 "[ . 1 . 2]" 1
260 1 69 TYR H 1 69 TYR HB2 3.500 . 4.000 2.754 2.383 2.844 . 0 0 "[ . 1 . 2]" 1
261 1 69 TYR H 1 69 TYR HB3 4.000 . 5.000 3.758 3.561 3.818 . 0 0 "[ . 1 . 2]" 1
262 1 69 TYR H 1 69 TYR QD 4.500 . 5.500 3.693 3.219 3.905 . 0 0 "[ . 1 . 2]" 1
263 1 69 TYR HA 1 69 TYR QD 4.000 . 5.000 2.914 2.733 3.049 . 0 0 "[ . 1 . 2]" 1
264 1 69 TYR HA 1 69 TYR QE 4.500 . 5.500 4.514 4.451 4.566 . 0 0 "[ . 1 . 2]" 1
265 1 70 ASN HA 1 70 ASN HD22 4.000 . 5.000 4.544 4.290 4.687 . 0 0 "[ . 1 . 2]" 1
266 1 70 ASN HA 1 70 ASN HD21 4.000 . 5.000 4.247 3.845 4.463 . 0 0 "[ . 1 . 2]" 1
267 1 70 ASN H 1 70 ASN HA 3.000 . 3.500 2.933 2.925 2.941 . 0 0 "[ . 1 . 2]" 1
268 1 70 ASN HB2 1 70 ASN HD22 4.000 . 5.000 3.467 3.456 3.475 . 0 0 "[ . 1 . 2]" 1
269 1 70 ASN HB2 1 70 ASN HD21 3.500 . 4.000 2.204 2.174 2.224 . 0 0 "[ . 1 . 2]" 1
270 1 70 ASN H 1 70 ASN HB2 3.500 . 4.000 2.722 2.635 2.756 . 0 0 "[ . 1 . 2]" 1
271 1 70 ASN HB3 1 70 ASN HD22 4.000 . 5.000 3.886 3.785 4.046 . 0 0 "[ . 1 . 2]" 1
272 1 70 ASN HB3 1 70 ASN HD21 3.500 . 4.000 3.139 2.934 3.455 . 0 0 "[ . 1 . 2]" 1
273 1 70 ASN H 1 70 ASN HB3 4.000 . 5.000 3.825 3.773 3.842 . 0 0 "[ . 1 . 2]" 1
274 1 70 ASN H 1 70 ASN HD21 4.000 . 5.000 3.885 3.034 4.373 . 0 0 "[ . 1 . 2]" 1
275 1 70 ASN H 1 70 ASN HD22 4.000 . 5.000 4.805 4.378 5.029 0.029 19 0 "[ . 1 . 2]" 1
276 1 71 VAL H 1 71 VAL HB 3.500 . 4.000 2.675 2.487 3.639 . 0 0 "[ . 1 . 2]" 1
277 1 71 VAL H 1 71 VAL QG 3.500 . 4.000 2.268 1.774 2.678 0.026 6 0 "[ . 1 . 2]" 1
278 1 72 VAL HA 1 72 VAL MG2 3.000 . 3.500 3.163 3.152 3.170 . 0 0 "[ . 1 . 2]" 1
279 1 72 VAL HA 1 72 VAL MG1 3.000 . 3.500 2.202 2.188 2.214 . 0 0 "[ . 1 . 2]" 1
280 1 72 VAL H 1 72 VAL HB 4.000 . 5.000 3.721 3.627 3.753 . 0 0 "[ . 1 . 2]" 1
281 1 72 VAL H 1 72 VAL MG2 3.500 . 4.000 2.169 2.018 2.222 . 0 0 "[ . 1 . 2]" 1
282 1 72 VAL H 1 72 VAL MG1 3.500 . 4.000 3.393 3.331 3.439 . 0 0 "[ . 1 . 2]" 1
283 1 73 LYS HA 1 73 LYS HD3 5.000 . 6.000 4.556 4.287 4.958 . 0 0 "[ . 1 . 2]" 1
284 1 73 LYS HB2 1 73 LYS QE 3.000 . 3.500 2.763 2.085 3.547 0.047 18 0 "[ . 1 . 2]" 1
285 1 73 LYS HB3 1 73 LYS QE 3.500 . 4.000 2.260 1.891 2.886 . 0 0 "[ . 1 . 2]" 1
286 1 73 LYS QE 1 73 LYS QG 2.500 . 3.000 2.453 2.267 2.765 . 0 0 "[ . 1 . 2]" 1
287 1 73 LYS HA 1 73 LYS HD2 4.000 . 5.000 4.623 3.636 4.856 . 0 0 "[ . 1 . 2]" 1
288 1 73 LYS HA 1 73 LYS QG 3.000 . 3.500 2.486 2.380 2.564 . 0 0 "[ . 1 . 2]" 1
289 1 73 LYS H 1 73 LYS HB2 3.500 . 4.000 2.654 2.585 2.800 . 0 0 "[ . 1 . 2]" 1
290 1 73 LYS H 1 73 LYS HB3 3.500 . 4.000 2.454 2.402 2.499 . 0 0 "[ . 1 . 2]" 1
291 1 73 LYS H 1 73 LYS QG 4.000 . 5.000 3.988 3.962 4.075 . 0 0 "[ . 1 . 2]" 1
292 1 75 PRO HA 1 75 PRO QG 3.500 . 3.500 3.288 2.836 3.486 . 0 0 "[ . 1 . 2]" 1
293 1 75 PRO HB3 1 75 PRO HD3 3.500 . 4.000 3.653 2.951 4.036 0.036 9 0 "[ . 1 . 2]" 1
294 1 75 PRO HB2 1 75 PRO HD3 3.500 . 4.000 3.952 3.865 3.998 . 0 0 "[ . 1 . 2]" 1
295 1 75 PRO HB3 1 75 PRO HD2 3.500 . 4.000 3.875 3.839 3.923 . 0 0 "[ . 1 . 2]" 1
296 1 75 PRO HB2 1 75 PRO HD2 3.500 . 4.000 3.406 2.986 4.046 0.046 20 0 "[ . 1 . 2]" 1
297 1 75 PRO HA 1 75 PRO HD3 4.000 . 5.000 3.858 3.576 3.975 . 0 0 "[ . 1 . 2]" 1
298 1 75 PRO HA 1 75 PRO HD2 4.000 . 5.000 3.959 3.885 4.089 . 0 0 "[ . 1 . 2]" 1
299 1 76 GLN HA 1 76 GLN HG2 3.000 . 3.500 2.756 2.511 3.124 . 0 0 "[ . 1 . 2]" 1
300 1 76 GLN HA 1 76 GLN HG3 2.500 . 3.000 2.924 2.404 3.255 0.255 12 0 "[ . 1 . 2]" 1
301 1 76 GLN H 1 76 GLN HB3 4.000 . 5.000 3.501 2.578 4.030 . 0 0 "[ . 1 . 2]" 1
302 1 76 GLN H 1 76 GLN HB2 4.000 . 5.000 2.979 2.447 3.598 . 0 0 "[ . 1 . 2]" 1
303 1 76 GLN H 1 76 GLN HG3 4.000 . 5.000 3.310 2.036 4.542 . 0 0 "[ . 1 . 2]" 1
304 1 76 GLN H 1 76 GLN HG2 4.000 . 5.000 3.778 3.120 4.923 . 0 0 "[ . 1 . 2]" 1
305 1 77 GLY H 1 77 GLY HA2 3.000 . 3.500 2.313 2.291 2.424 . 0 0 "[ . 1 . 2]" 1
306 1 78 LYS HB3 1 78 LYS HE3 3.500 . 4.000 3.386 1.974 4.228 0.228 20 0 "[ . 1 . 2]" 1
307 1 78 LYS HB3 1 78 LYS HE2 3.500 . 4.000 3.273 1.960 4.144 0.144 3 0 "[ . 1 . 2]" 1
308 1 78 LYS HB2 1 78 LYS HE3 4.000 . 5.000 3.242 2.071 4.294 . 0 0 "[ . 1 . 2]" 1
309 1 78 LYS HB2 1 78 LYS HE2 3.500 . 4.000 2.954 1.933 4.478 0.478 15 0 "[ . 1 . 2]" 1
310 1 78 LYS HB3 1 78 LYS QD 3.000 . 3.500 2.849 2.372 3.509 0.009 8 0 "[ . 1 . 2]" 1
311 1 78 LYS HE3 1 78 LYS HG3 3.500 . 4.000 3.547 3.004 3.752 . 0 0 "[ . 1 . 2]" 1
312 1 78 LYS HE2 1 78 LYS HG3 3.500 . 4.000 3.310 2.316 4.215 0.215 14 0 "[ . 1 . 2]" 1
313 1 78 LYS HE3 1 78 LYS HG2 3.500 . 4.000 3.206 2.330 4.217 0.217 20 0 "[ . 1 . 2]" 1
314 1 78 LYS HE2 1 78 LYS HG2 3.500 . 4.000 3.414 2.939 3.745 . 0 0 "[ . 1 . 2]" 1
315 1 78 LYS HA 1 78 LYS QD 4.000 . 5.000 3.520 1.864 4.275 . 0 0 "[ . 1 . 2]" 1
316 1 78 LYS HA 1 78 LYS HG3 3.000 . 3.500 2.792 2.435 3.603 0.103 2 0 "[ . 1 . 2]" 1
317 1 78 LYS HA 1 78 LYS HG2 3.000 . 3.500 3.111 2.293 3.705 0.205 5 0 "[ . 1 . 2]" 1
318 1 78 LYS H 1 78 LYS HB3 3.500 . 4.000 3.095 2.716 3.799 . 0 0 "[ . 1 . 2]" 1
319 1 78 LYS H 1 78 LYS HB2 3.500 . 4.000 3.092 2.636 3.460 . 0 0 "[ . 1 . 2]" 1
320 1 78 LYS H 1 78 LYS QD 4.000 . 5.000 4.860 4.429 5.126 0.126 9 0 "[ . 1 . 2]" 1
321 1 78 LYS H 1 78 LYS HG3 4.000 . 5.000 4.486 3.510 4.836 . 0 0 "[ . 1 . 2]" 1
322 1 78 LYS H 1 78 LYS HG2 4.000 . 5.000 4.599 3.774 5.094 0.094 8 0 "[ . 1 . 2]" 1
323 1 79 ASN HA 1 79 ASN QD 4.000 . 5.000 3.541 1.853 4.099 . 0 0 "[ . 1 . 2]" 1
324 1 79 ASN H 1 79 ASN HA 3.000 . 3.500 2.696 2.267 2.948 . 0 0 "[ . 1 . 2]" 1
325 1 79 ASN H 1 79 ASN HB3 4.000 . 5.000 3.892 3.604 4.093 . 0 0 "[ . 1 . 2]" 1
326 1 79 ASN H 1 79 ASN HB2 4.000 . 5.000 3.017 2.507 3.651 . 0 0 "[ . 1 . 2]" 1
327 1 79 ASN H 1 79 ASN QD 4.000 . 5.000 3.305 2.397 4.387 . 0 0 "[ . 1 . 2]" 1
328 1 80 GLN HA 1 80 GLN QG 2.500 . 3.000 2.536 2.367 2.933 . 0 0 "[ . 1 . 2]" 1
329 1 80 GLN H 1 80 GLN HA 3.000 . 3.500 2.634 2.270 2.947 . 0 0 "[ . 1 . 2]" 1
330 1 80 GLN H 1 80 GLN HB3 3.500 . 4.000 3.942 3.783 4.076 0.076 1 0 "[ . 1 . 2]" 1
331 1 80 GLN H 1 80 GLN HB2 4.000 . 5.000 3.098 2.663 3.534 . 0 0 "[ . 1 . 2]" 1
332 1 81 LYS HA 1 81 LYS HD2 3.000 . 3.500 3.208 2.962 3.405 . 0 0 "[ . 1 . 2]" 1
333 1 81 LYS HA 1 81 LYS QE 3.500 . 4.000 3.863 3.834 3.892 . 0 0 "[ . 1 . 2]" 1
334 1 81 LYS HA 1 81 LYS HG3 4.000 . 5.000 3.726 3.681 3.764 . 0 0 "[ . 1 . 2]" 1
335 1 81 LYS HA 1 81 LYS HG2 3.500 . 4.000 2.870 2.739 2.942 . 0 0 "[ . 1 . 2]" 1
336 1 81 LYS HB2 1 81 LYS HD3 4.000 . 5.000 3.718 3.619 3.734 . 0 0 "[ . 1 . 2]" 1
337 1 81 LYS HB3 1 81 LYS HD3 4.000 . 5.000 2.895 2.679 3.033 . 0 0 "[ . 1 . 2]" 1
338 1 81 LYS HB2 1 81 LYS HD2 3.500 . 4.000 3.670 3.630 3.763 . 0 0 "[ . 1 . 2]" 1
339 1 81 LYS QE 1 81 LYS HG3 3.500 . 4.000 2.413 2.372 2.656 . 0 0 "[ . 1 . 2]" 1
340 1 81 LYS QE 1 81 LYS HG2 3.500 . 4.000 2.402 2.368 2.712 . 0 0 "[ . 1 . 2]" 1
341 1 81 LYS HA 1 81 LYS HD3 3.500 . 4.000 2.040 1.905 2.155 . 0 0 "[ . 1 . 2]" 1
342 1 81 LYS H 1 81 LYS HB2 3.500 . 4.000 2.448 2.321 2.533 . 0 0 "[ . 1 . 2]" 1
343 1 81 LYS H 1 81 LYS HB3 4.000 . 5.000 3.653 3.576 3.709 . 0 0 "[ . 1 . 2]" 1
344 1 81 LYS H 1 81 LYS HD2 4.000 . 5.000 5.115 5.007 5.365 0.365 12 0 "[ . 1 . 2]" 1
345 1 81 LYS H 1 81 LYS HG3 4.000 . 5.000 4.012 3.787 4.225 . 0 0 "[ . 1 . 2]" 1
346 1 81 LYS H 1 81 LYS HG2 4.000 . 5.000 2.889 2.626 3.215 . 0 0 "[ . 1 . 2]" 1
347 1 82 SER H 1 82 SER HB3 3.500 . 4.000 3.249 2.566 3.822 . 0 0 "[ . 1 . 2]" 1
348 1 82 SER H 1 82 SER HB2 4.000 . 5.000 3.047 2.535 3.785 . 0 0 "[ . 1 . 2]" 1
349 1 83 PHE H 1 83 PHE HB3 4.000 . 5.000 3.752 3.640 3.836 . 0 0 "[ . 1 . 2]" 1
350 1 83 PHE H 1 83 PHE HB2 4.000 . 5.000 2.763 2.666 2.855 . 0 0 "[ . 1 . 2]" 1
351 1 83 PHE H 1 83 PHE QD 4.500 . 5.500 3.259 3.064 3.478 . 0 0 "[ . 1 . 2]" 1
352 1 83 PHE H 1 83 PHE QE 4.500 . 5.500 4.625 4.330 4.902 . 0 0 "[ . 1 . 2]" 1
353 1 83 PHE HB3 1 83 PHE QE 4.500 . 5.500 4.471 4.459 4.487 . 0 0 "[ . 1 . 2]" 1
354 1 84 VAL HA 1 84 VAL MG2 3.500 . 4.000 2.292 2.241 2.355 . 0 0 "[ . 1 . 2]" 1
355 1 84 VAL HA 1 84 VAL MG1 3.500 . 4.000 2.504 2.438 2.560 . 0 0 "[ . 1 . 2]" 1
356 1 84 VAL H 1 84 VAL HB 3.500 . 4.000 2.647 2.554 2.711 . 0 0 "[ . 1 . 2]" 1
357 1 84 VAL H 1 84 VAL MG2 3.500 . 4.000 3.018 2.817 3.199 . 0 0 "[ . 1 . 2]" 1
358 1 84 VAL H 1 84 VAL MG1 3.500 . 4.000 3.818 3.783 3.874 . 0 0 "[ . 1 . 2]" 1
359 1 85 PHE H 1 85 PHE HB3 4.000 . 5.000 3.700 3.638 3.745 . 0 0 "[ . 1 . 2]" 1
360 1 85 PHE H 1 85 PHE QD 4.500 . 5.500 2.985 2.849 3.124 . 0 0 "[ . 1 . 2]" 1
361 1 86 ILE HA 1 86 ILE MD 4.000 . 5.000 3.869 3.848 3.897 . 0 0 "[ . 1 . 2]" 1
362 1 86 ILE HA 1 86 ILE HG12 3.500 . 4.000 2.626 2.574 2.688 . 0 0 "[ . 1 . 2]" 1
363 1 86 ILE HA 1 86 ILE HG13 3.500 . 4.000 2.972 2.888 3.013 . 0 0 "[ . 1 . 2]" 1
364 1 86 ILE HB 1 86 ILE MD 3.000 . 3.500 2.367 2.315 2.409 . 0 0 "[ . 1 . 2]" 1
365 1 86 ILE HA 1 86 ILE MG 3.000 . 3.500 2.358 2.324 2.395 . 0 0 "[ . 1 . 2]" 1
366 1 86 ILE H 1 86 ILE HB 3.500 . 4.000 2.619 2.510 2.799 . 0 0 "[ . 1 . 2]" 1
367 1 86 ILE H 1 86 ILE MD 4.500 . 5.500 3.781 3.571 4.089 . 0 0 "[ . 1 . 2]" 1
368 1 86 ILE H 1 86 ILE HG12 3.500 . 4.000 3.859 3.714 4.071 0.071 5 0 "[ . 1 . 2]" 1
369 1 86 ILE H 1 86 ILE HG13 4.000 . 5.000 2.597 2.381 2.922 . 0 0 "[ . 1 . 2]" 1
370 1 86 ILE H 1 86 ILE MG 4.000 . 5.000 3.841 3.796 3.921 . 0 0 "[ . 1 . 2]" 1
371 1 87 LEU HA 1 87 LEU QD 3.500 . 4.000 1.918 1.820 1.998 . 0 0 "[ . 1 . 2]" 1
372 1 87 LEU HA 1 87 LEU HG 3.500 . 4.000 3.015 2.856 3.657 . 0 0 "[ . 1 . 2]" 1
373 1 87 LEU H 1 87 LEU HB3 3.500 . 4.000 3.605 3.529 3.656 . 0 0 "[ . 1 . 2]" 1
374 1 87 LEU H 1 87 LEU HB2 3.500 . 4.000 2.374 2.267 2.458 . 0 0 "[ . 1 . 2]" 1
375 1 87 LEU H 1 87 LEU QD 4.500 . 5.000 3.416 2.440 3.617 . 0 0 "[ . 1 . 2]" 1
376 1 87 LEU H 1 87 LEU HG 3.500 . 4.000 3.096 2.858 4.215 0.215 11 0 "[ . 1 . 2]" 1
377 1 88 GLU HA 1 88 GLU HG2 3.000 . 3.500 2.566 2.553 2.582 . 0 0 "[ . 1 . 2]" 1
378 1 88 GLU HA 1 88 GLU HG3 3.500 . 4.000 3.108 3.075 3.159 . 0 0 "[ . 1 . 2]" 1
379 1 88 GLU H 1 88 GLU QB 3.000 . 3.500 2.563 2.522 2.615 . 0 0 "[ . 1 . 2]" 1
380 1 88 GLU H 1 88 GLU HG2 3.500 . 4.000 3.907 3.823 3.987 . 0 0 "[ . 1 . 2]" 1
381 1 88 GLU H 1 88 GLU HG3 4.000 . 5.000 2.825 2.736 2.912 . 0 0 "[ . 1 . 2]" 1
382 1 89 PRO HB3 1 89 PRO QD 3.500 . 4.000 2.839 2.785 2.863 . 0 0 "[ . 1 . 2]" 1
383 1 89 PRO HB2 1 89 PRO QD 3.000 . 3.500 3.525 3.522 3.530 0.030 11 0 "[ . 1 . 2]" 1
384 1 89 PRO HA 1 89 PRO QG 3.000 . 3.500 3.486 3.480 3.491 . 0 0 "[ . 1 . 2]" 1
385 1 90 LYS HA 1 90 LYS HE3 4.000 . 5.000 4.521 4.431 4.666 . 0 0 "[ . 1 . 2]" 1
386 1 90 LYS HA 1 90 LYS HG3 4.000 . 5.000 3.154 3.092 3.239 . 0 0 "[ . 1 . 2]" 1
387 1 90 LYS HB3 1 90 LYS HE3 3.500 . 4.000 2.998 2.955 3.059 . 0 0 "[ . 1 . 2]" 1
388 1 90 LYS HB2 1 90 LYS HD3 3.500 . 4.000 2.438 2.393 2.470 . 0 0 "[ . 1 . 2]" 1
389 1 90 LYS HB2 1 90 LYS HD2 3.500 . 4.000 3.662 3.630 3.682 . 0 0 "[ . 1 . 2]" 1
390 1 90 LYS HB2 1 90 LYS HE3 4.000 . 5.000 4.027 3.876 4.081 . 0 0 "[ . 1 . 2]" 1
391 1 90 LYS HB3 1 90 LYS HD2 3.500 . 4.000 3.737 3.717 3.774 . 0 0 "[ . 1 . 2]" 1
392 1 90 LYS HB3 1 90 LYS HE2 5.000 . 6.000 2.049 2.017 2.125 . 0 0 "[ . 1 . 2]" 1
393 1 90 LYS HE2 1 90 LYS HG3 4.000 . 5.000 3.740 3.733 3.744 . 0 0 "[ . 1 . 2]" 1
394 1 90 LYS HE2 1 90 LYS HG2 4.000 . 5.000 3.013 2.976 3.053 . 0 0 "[ . 1 . 2]" 1
395 1 90 LYS HE3 1 90 LYS HG3 3.500 . 4.000 3.684 3.676 3.698 . 0 0 "[ . 1 . 2]" 1
396 1 90 LYS HE3 1 90 LYS HG2 3.500 . 4.000 2.468 2.456 2.491 . 0 0 "[ . 1 . 2]" 1
397 1 90 LYS HA 1 90 LYS HD3 4.000 . 5.000 4.691 4.667 4.719 . 0 0 "[ . 1 . 2]" 1
398 1 90 LYS HA 1 90 LYS HD2 4.000 . 5.000 4.909 4.859 4.960 . 0 0 "[ . 1 . 2]" 1
399 1 90 LYS HA 1 90 LYS HE2 4.000 . 5.000 4.298 4.233 4.430 . 0 0 "[ . 1 . 2]" 1
400 1 90 LYS HA 1 90 LYS HG2 3.000 . 3.500 2.638 2.574 2.737 . 0 0 "[ . 1 . 2]" 1
401 1 90 LYS HB2 1 90 LYS HE2 5.000 . 6.000 2.967 2.766 3.043 . 0 0 "[ . 1 . 2]" 1
402 1 90 LYS H 1 90 LYS HB3 3.500 . 4.000 3.735 3.606 3.811 . 0 0 "[ . 1 . 2]" 1
403 1 90 LYS H 1 90 LYS HB2 3.500 . 4.000 2.635 2.476 2.742 . 0 0 "[ . 1 . 2]" 1
404 1 90 LYS H 1 90 LYS HG3 4.000 . 5.000 2.627 2.258 2.860 . 0 0 "[ . 1 . 2]" 1
405 1 90 LYS H 1 90 LYS HG2 4.000 . 5.000 3.764 3.443 3.976 . 0 0 "[ . 1 . 2]" 1
406 1 91 GLN HA 1 91 GLN QG 3.500 . 4.000 2.722 2.424 3.306 . 0 0 "[ . 1 . 2]" 1
407 1 91 GLN HB3 1 91 GLN HE22 4.000 . 5.000 4.189 3.392 5.077 0.077 17 0 "[ . 1 . 2]" 1
408 1 91 GLN H 1 91 GLN HB3 3.500 . 4.000 3.123 2.434 3.592 . 0 0 "[ . 1 . 2]" 1
409 1 91 GLN HB2 1 91 GLN HE22 4.000 . 5.000 4.268 3.426 5.102 0.102 10 0 "[ . 1 . 2]" 1
410 1 91 GLN H 1 91 GLN HB2 3.500 . 4.000 2.722 2.492 3.657 . 0 0 "[ . 1 . 2]" 1
411 1 91 GLN H 1 91 GLN QG 4.000 . 5.000 2.758 1.821 4.033 . 0 0 "[ . 1 . 2]" 1
412 1 91 GLN HE22 1 91 GLN QG 3.500 . 4.000 3.328 3.217 3.480 . 0 0 "[ . 1 . 2]" 1
413 1 92 GLN HA 1 92 GLN QG 3.500 . 4.000 2.659 2.216 3.348 . 0 0 "[ . 1 . 2]" 1
414 1 92 GLN H 1 92 GLN QB 3.000 . 3.500 3.042 2.728 3.401 . 0 0 "[ . 1 . 2]" 1
415 1 92 GLN H 1 92 GLN QG 4.000 . 5.000 3.433 2.267 4.324 . 0 0 "[ . 1 . 2]" 1
416 1 94 ASP H 1 94 ASP HB3 3.000 . 3.500 3.494 3.429 3.587 0.087 12 0 "[ . 1 . 2]" 1
417 1 94 ASP H 1 94 ASP HB2 3.000 . 3.500 2.911 2.289 3.101 . 0 0 "[ . 1 . 2]" 1
418 1 95 PRO HB2 1 95 PRO HD3 3.500 . 4.000 3.955 3.834 4.009 0.009 14 0 "[ . 1 . 2]" 1
419 1 95 PRO HB3 1 95 PRO HD3 3.500 . 4.000 3.047 2.824 3.158 . 0 0 "[ . 1 . 2]" 1
420 1 95 PRO HB2 1 95 PRO HD2 3.500 . 4.000 4.010 3.967 4.076 0.076 18 0 "[ . 1 . 2]" 1
421 1 95 PRO HB3 1 95 PRO HD2 4.000 . 5.000 3.868 3.818 3.885 . 0 0 "[ . 1 . 2]" 1
422 1 95 PRO HA 1 95 PRO HG3 3.500 . 4.000 4.038 4.008 4.046 0.046 4 0 "[ . 1 . 2]" 1
423 1 96 PRO HA 1 96 PRO HG3 3.500 . 4.000 3.957 3.209 4.042 0.042 5 0 "[ . 1 . 2]" 1
424 1 96 PRO HA 1 96 PRO HG2 3.500 . 4.000 3.888 3.860 4.029 0.029 15 0 "[ . 1 . 2]" 1
425 1 96 PRO HB2 1 96 PRO HD3 4.000 . 5.000 3.995 3.915 4.035 . 0 0 "[ . 1 . 2]" 1
426 1 96 PRO HA 1 96 PRO HD2 4.000 . 5.000 4.051 3.913 4.084 . 0 0 "[ . 1 . 2]" 1
427 1 96 PRO HB3 1 96 PRO HD2 4.000 . 5.000 3.888 3.875 3.902 . 0 0 "[ . 1 . 2]" 1
428 1 96 PRO HB2 1 96 PRO HD2 3.500 . 4.000 3.873 2.978 4.002 0.002 6 0 "[ . 1 . 2]" 1
429 1 96 PRO HB3 1 96 PRO HD3 3.500 . 4.000 3.239 3.086 4.044 0.044 14 0 "[ . 1 . 2]" 1
430 1 97 VAL HA 1 97 VAL MG1 3.500 . 4.000 2.346 2.314 2.370 . 0 0 "[ . 1 . 2]" 1
431 1 97 VAL HA 1 97 VAL MG2 3.500 . 4.000 2.439 2.414 2.485 . 0 0 "[ . 1 . 2]" 1
432 1 97 VAL H 1 97 VAL HB 3.500 . 4.000 2.832 2.778 2.901 . 0 0 "[ . 1 . 2]" 1
433 1 97 VAL H 1 97 VAL MG1 4.500 . 5.500 3.934 3.914 3.962 . 0 0 "[ . 1 . 2]" 1
434 1 97 VAL H 1 97 VAL MG2 4.000 . 5.000 2.787 2.692 2.869 . 0 0 "[ . 1 . 2]" 1
435 1 98 GLU HA 1 98 GLU HG3 3.500 . 4.000 2.493 2.471 2.518 . 0 0 "[ . 1 . 2]" 1
436 1 98 GLU HA 1 98 GLU HG2 3.500 . 4.000 3.694 3.683 3.706 . 0 0 "[ . 1 . 2]" 1
437 1 98 GLU H 1 98 GLU HB3 3.500 . 4.000 3.619 3.597 3.639 . 0 0 "[ . 1 . 2]" 1
438 1 98 GLU H 1 98 GLU HB2 3.500 . 4.000 2.384 2.350 2.419 . 0 0 "[ . 1 . 2]" 1
439 1 98 GLU H 1 98 GLU HG3 3.500 . 4.000 3.935 3.872 3.990 . 0 0 "[ . 1 . 2]" 1
440 1 98 GLU H 1 98 GLU HG2 3.500 . 4.000 4.056 4.013 4.101 0.101 19 0 "[ . 1 . 2]" 1
441 1 99 PHE H 1 99 PHE HB3 3.500 . 4.000 3.784 3.711 3.822 . 0 0 "[ . 1 . 2]" 1
442 1 99 PHE H 1 99 PHE HB2 4.000 . 5.000 2.664 2.562 2.717 . 0 0 "[ . 1 . 2]" 1
443 1 99 PHE H 1 99 PHE QD 4.500 . 5.500 2.730 2.540 3.106 . 0 0 "[ . 1 . 2]" 1
444 1 101 THR HA 1 101 THR MG 3.500 . 4.000 2.307 2.283 2.363 . 0 0 "[ . 1 . 2]" 1
445 1 101 THR H 1 101 THR HG1 4.000 . 5.000 3.639 3.348 3.782 . 0 0 "[ . 1 . 2]" 1
446 1 101 THR H 1 101 THR MG 4.000 . 5.000 3.028 2.840 3.205 . 0 0 "[ . 1 . 2]" 1
447 1 102 ASP H 1 102 ASP HB3 3.500 . 4.000 3.551 2.652 3.802 . 0 0 "[ . 1 . 2]" 1
448 1 102 ASP H 1 102 ASP HB2 3.000 . 3.500 2.831 2.561 3.751 0.251 11 0 "[ . 1 . 2]" 1
449 1 103 ARG HA 1 103 ARG QD 4.000 . 5.000 4.083 3.174 4.300 . 0 0 "[ . 1 . 2]" 1
450 1 103 ARG HA 1 103 ARG HG2 3.500 . 4.000 2.596 2.504 2.769 . 0 0 "[ . 1 . 2]" 1
451 1 103 ARG HA 1 103 ARG HG3 3.000 . 3.500 3.236 3.067 3.763 0.263 14 0 "[ . 1 . 2]" 1
452 1 103 ARG H 1 103 ARG HA 2.500 . 3.000 2.921 2.912 2.945 . 0 0 "[ . 1 . 2]" 1
453 1 103 ARG H 1 103 ARG QB 3.500 . 4.000 2.789 2.739 2.875 . 0 0 "[ . 1 . 2]" 1
454 1 103 ARG H 1 103 ARG QD 4.000 . 5.000 4.570 4.417 4.956 . 0 0 "[ . 1 . 2]" 1
455 1 103 ARG H 1 103 ARG HG3 3.500 . 4.000 3.181 2.787 4.368 0.368 14 0 "[ . 1 . 2]" 1
456 1 104 VAL HA 1 104 VAL MG2 3.500 . 4.000 2.621 2.317 3.205 . 0 0 "[ . 1 . 2]" 1
457 1 104 VAL HA 1 104 VAL QG 3.000 . 3.500 2.226 2.126 2.288 . 0 0 "[ . 1 . 2]" 1
458 1 104 VAL H 1 104 VAL HB 3.500 . 4.000 2.909 2.530 3.624 . 0 0 "[ . 1 . 2]" 1
459 1 104 VAL H 1 104 VAL QG 4.000 . 5.000 1.968 1.799 2.150 0.001 1 0 "[ . 1 . 2]" 1
460 1 105 GLU HA 1 105 GLU HG2 3.000 . 3.500 2.888 2.541 3.687 0.187 20 0 "[ . 1 . 2]" 1
461 1 105 GLU HA 1 105 GLU HG3 3.500 . 4.000 3.306 2.472 3.814 . 0 0 "[ . 1 . 2]" 1
462 1 105 GLU H 1 105 GLU HB3 3.500 . 4.000 3.470 2.733 3.601 . 0 0 "[ . 1 . 2]" 1
463 1 105 GLU H 1 105 GLU HB2 3.500 . 4.000 2.657 2.472 3.583 . 0 0 "[ . 1 . 2]" 1
464 1 105 GLU H 1 105 GLU HG2 3.500 . 4.000 2.958 1.792 3.776 0.008 16 0 "[ . 1 . 2]" 1
465 1 105 GLU H 1 105 GLU HG3 4.000 . 5.000 2.687 2.150 3.675 . 0 0 "[ . 1 . 2]" 1
466 1 106 GLU HA 1 106 GLU HG3 3.500 . 4.000 3.765 3.423 3.874 . 0 0 "[ . 1 . 2]" 1
467 1 106 GLU HA 1 106 GLU HG2 3.000 . 3.500 3.132 2.657 3.271 . 0 0 "[ . 1 . 2]" 1
468 1 106 GLU H 1 106 GLU HB3 3.500 . 4.000 3.588 3.566 3.601 . 0 0 "[ . 1 . 2]" 1
469 1 106 GLU H 1 106 GLU HB2 3.500 . 4.000 2.676 2.586 2.846 . 0 0 "[ . 1 . 2]" 1
470 1 106 GLU H 1 106 GLU HG2 3.500 . 4.000 2.067 1.810 2.786 . 0 0 "[ . 1 . 2]" 1
471 1 107 LEU HA 1 107 LEU QD 3.500 . 3.500 2.467 1.833 2.544 . 0 0 "[ . 1 . 2]" 1
472 1 107 LEU HA 1 107 LEU HG 3.000 . 3.500 2.710 2.599 3.633 0.133 20 0 "[ . 1 . 2]" 1
473 1 107 LEU H 1 107 LEU HB3 3.500 . 4.000 2.569 2.472 2.678 . 0 0 "[ . 1 . 2]" 1
474 1 107 LEU H 1 107 LEU HB2 3.500 . 4.000 2.444 2.287 2.501 . 0 0 "[ . 1 . 2]" 1
475 1 107 LEU H 1 107 LEU QD 4.500 . 5.500 3.696 3.619 3.711 . 0 0 "[ . 1 . 2]" 1
476 1 107 LEU H 1 107 LEU HG 4.000 . 5.000 4.453 4.433 4.490 . 0 0 "[ . 1 . 2]" 1
477 1 108 PHE H 1 108 PHE HB2 3.500 . 4.000 2.119 2.053 2.215 . 0 0 "[ . 1 . 2]" 1
478 1 108 PHE H 1 108 PHE HB3 3.500 . 4.000 3.136 2.936 3.477 . 0 0 "[ . 1 . 2]" 1
479 1 108 PHE H 1 108 PHE QD 4.000 . 5.000 3.512 2.596 3.918 . 0 0 "[ . 1 . 2]" 1
480 1 109 GLU HA 1 109 GLU HG2 3.500 . 4.000 3.704 3.289 3.801 . 0 0 "[ . 1 . 2]" 1
481 1 109 GLU HA 1 109 GLU HG3 3.500 . 4.000 3.028 2.608 3.142 . 0 0 "[ . 1 . 2]" 1
482 1 109 GLU H 1 109 GLU HB3 3.500 . 4.000 2.438 2.272 2.504 . 0 0 "[ . 1 . 2]" 1
483 1 109 GLU H 1 109 GLU HB2 3.500 . 4.000 2.621 2.528 2.825 . 0 0 "[ . 1 . 2]" 1
484 1 109 GLU H 1 109 GLU HG2 4.000 . 5.000 4.540 4.232 4.607 . 0 0 "[ . 1 . 2]" 1
485 1 109 GLU H 1 109 GLU HG3 4.000 . 5.000 4.435 4.401 4.521 . 0 0 "[ . 1 . 2]" 1
486 1 110 TRP HB3 1 110 TRP HE1 4.500 . 5.500 5.217 5.181 5.242 . 0 0 "[ . 1 . 2]" 1
487 1 110 TRP H 1 110 TRP HB3 3.500 . 4.000 3.458 3.424 3.487 . 0 0 "[ . 1 . 2]" 1
488 1 110 TRP HB2 1 110 TRP HE1 4.400 . 5.400 4.770 4.753 4.794 . 0 0 "[ . 1 . 2]" 1
489 1 110 TRP H 1 110 TRP HB2 3.500 . 4.000 2.142 2.113 2.175 . 0 0 "[ . 1 . 2]" 1
490 1 110 TRP H 1 110 TRP HD1 4.000 . 5.000 3.164 2.969 3.358 . 0 0 "[ . 1 . 2]" 1
491 1 110 TRP HA 1 110 TRP HE3 4.000 . 5.000 3.129 2.695 3.477 . 0 0 "[ . 1 . 2]" 1
492 1 111 PHE H 1 111 PHE HB3 3.500 . 4.000 3.569 3.548 3.583 . 0 0 "[ . 1 . 2]" 1
493 1 111 PHE H 1 111 PHE HB2 3.000 . 3.500 2.341 2.280 2.378 . 0 0 "[ . 1 . 2]" 1
494 1 111 PHE H 1 111 PHE QD 4.500 . 5.500 3.153 3.026 3.385 . 0 0 "[ . 1 . 2]" 1
495 1 112 GLN HA 1 112 GLN QG 3.000 . 3.500 2.442 2.304 2.948 . 0 0 "[ . 1 . 2]" 1
496 1 112 GLN HB2 1 112 GLN HE22 4.000 . 5.000 4.857 4.419 5.359 0.359 8 0 "[ . 1 . 2]" 1
497 1 112 GLN H 1 112 GLN HB2 3.500 . 4.000 2.454 2.392 2.558 . 0 0 "[ . 1 . 2]" 1
498 1 112 GLN HB3 1 112 GLN HE22 4.000 . 5.000 3.962 3.208 5.326 0.326 13 0 "[ . 1 . 2]" 1
499 1 112 GLN H 1 112 GLN HB3 3.500 . 4.000 2.653 2.555 2.707 . 0 0 "[ . 1 . 2]" 1
500 1 112 GLN HE22 1 112 GLN QG 3.500 . 4.000 3.360 3.214 3.488 . 0 0 "[ . 1 . 2]" 1
501 1 112 GLN H 1 112 GLN QG 3.500 . 4.000 4.002 3.971 4.052 0.052 14 0 "[ . 1 . 2]" 1
502 1 113 SER H 1 113 SER HB3 3.500 . 4.000 2.845 2.496 3.606 . 0 0 "[ . 1 . 2]" 1
503 1 113 SER H 1 113 SER HB2 3.500 . 4.000 2.714 2.484 3.611 . 0 0 "[ . 1 . 2]" 1
504 1 114 ILE HA 1 114 ILE HG12 3.500 . 4.000 2.462 2.426 2.487 . 0 0 "[ . 1 . 2]" 1
505 1 114 ILE HB 1 114 ILE MD 3.500 . 4.000 2.469 2.462 2.484 . 0 0 "[ . 1 . 2]" 1
506 1 114 ILE HA 1 114 ILE MD 4.000 . 5.000 3.805 3.788 3.818 . 0 0 "[ . 1 . 2]" 1
507 1 114 ILE HA 1 114 ILE HG13 2.500 . 3.000 3.019 2.960 3.081 0.081 20 0 "[ . 1 . 2]" 1
508 1 114 ILE HA 1 114 ILE MG 3.000 . 3.500 2.458 2.426 2.502 . 0 0 "[ . 1 . 2]" 1
509 1 114 ILE H 1 114 ILE HB 3.500 . 4.000 2.523 2.456 2.567 . 0 0 "[ . 1 . 2]" 1
510 1 114 ILE H 1 114 ILE MD 4.000 . 5.000 3.691 3.651 3.732 . 0 0 "[ . 1 . 2]" 1
511 1 114 ILE H 1 114 ILE HG13 3.500 . 4.000 2.222 2.143 2.343 . 0 0 "[ . 1 . 2]" 1
512 1 114 ILE H 1 114 ILE HG12 3.500 . 4.000 3.400 3.306 3.518 . 0 0 "[ . 1 . 2]" 1
513 1 114 ILE H 1 114 ILE MG 4.000 . 5.000 3.776 3.762 3.782 . 0 0 "[ . 1 . 2]" 1
514 1 115 ARG HA 1 115 ARG HD3 4.000 . 5.000 4.394 4.253 4.784 . 0 0 "[ . 1 . 2]" 1
515 1 115 ARG HA 1 115 ARG HD2 4.000 . 5.000 4.545 4.185 4.659 . 0 0 "[ . 1 . 2]" 1
516 1 115 ARG HA 1 115 ARG QG 3.000 . 3.500 2.409 2.303 2.725 . 0 0 "[ . 1 . 2]" 1
517 1 115 ARG QB 1 115 ARG HD3 2.500 . 3.000 2.455 2.316 2.916 . 0 0 "[ . 1 . 2]" 1
518 1 115 ARG QB 1 115 ARG HD2 2.500 . 3.000 2.354 2.131 2.439 . 0 0 "[ . 1 . 2]" 1
519 1 115 ARG H 1 115 ARG QB 3.500 . 4.000 2.283 2.117 2.411 . 0 0 "[ . 1 . 2]" 1
520 1 115 ARG H 1 115 ARG QD 4.000 . 5.000 4.057 3.924 4.391 . 0 0 "[ . 1 . 2]" 1
521 1 116 GLU HA 1 116 GLU HG3 2.500 . 3.000 3.102 2.812 3.616 0.616 8 6 "[* * . + 1 - * *]" 1
522 1 116 GLU HA 1 116 GLU HG2 3.000 . 3.500 2.494 2.344 2.776 . 0 0 "[ . 1 . 2]" 1
523 1 116 GLU H 1 116 GLU HA 3.000 . 3.500 2.795 2.781 2.820 . 0 0 "[ . 1 . 2]" 1
524 1 116 GLU H 1 116 GLU HB3 3.500 . 4.000 3.512 3.472 3.550 . 0 0 "[ . 1 . 2]" 1
525 1 116 GLU H 1 116 GLU HB2 3.500 . 4.000 2.227 2.159 2.322 . 0 0 "[ . 1 . 2]" 1
526 1 116 GLU H 1 116 GLU HG3 4.000 . 5.000 3.064 2.499 3.981 . 0 0 "[ . 1 . 2]" 1
527 1 116 GLU H 1 116 GLU HG2 3.500 . 4.000 3.488 2.755 3.878 . 0 0 "[ . 1 . 2]" 1
528 1 117 ILE HA 1 117 ILE MD 3.500 . 4.000 3.726 2.908 3.882 . 0 0 "[ . 1 . 2]" 1
529 1 117 ILE HA 1 117 ILE QG 3.000 . 3.500 2.418 2.248 2.486 . 0 0 "[ . 1 . 2]" 1
530 1 117 ILE HB 1 117 ILE MD 3.500 . 4.000 2.376 2.311 2.412 . 0 0 "[ . 1 . 2]" 1
531 1 117 ILE HA 1 117 ILE MG 3.000 . 3.500 2.382 2.326 2.500 . 0 0 "[ . 1 . 2]" 1
532 1 117 ILE H 1 117 ILE HB 3.500 . 4.000 2.559 2.374 2.633 . 0 0 "[ . 1 . 2]" 1
533 1 117 ILE H 1 117 ILE QG 3.500 . 4.000 2.659 2.392 3.462 . 0 0 "[ . 1 . 2]" 1
534 1 117 ILE H 1 117 ILE MG 4.000 . 5.000 3.815 3.719 3.842 . 0 0 "[ . 1 . 2]" 1
535 1 118 THR HA 1 118 THR MG 3.500 . 4.000 2.400 2.329 3.169 . 0 0 "[ . 1 . 2]" 1
536 1 118 THR H 1 118 THR HB 4.000 . 5.000 3.689 3.173 3.820 . 0 0 "[ . 1 . 2]" 1
537 1 118 THR H 1 118 THR MG 4.000 . 5.000 2.595 1.824 2.739 . 0 0 "[ . 1 . 2]" 1
538 1 119 TRP H 1 119 TRP HA 2.500 . 3.000 2.815 2.768 2.934 . 0 0 "[ . 1 . 2]" 1
539 1 119 TRP H 1 119 TRP HB2 3.500 . 4.000 2.627 2.098 3.592 . 0 0 "[ . 1 . 2]" 1
540 1 119 TRP H 1 119 TRP HB3 3.500 . 4.000 2.785 2.411 3.701 . 0 0 "[ . 1 . 2]" 1
541 1 119 TRP H 1 119 TRP HD1 4.000 . 5.000 4.505 2.623 5.049 0.049 9 0 "[ . 1 . 2]" 1
542 1 119 TRP HA 1 119 TRP HD1 4.000 . 5.000 4.306 3.090 4.679 . 0 0 "[ . 1 . 2]" 1
543 1 119 TRP HA 1 119 TRP HE3 4.000 . 5.000 2.780 2.285 4.292 . 0 0 "[ . 1 . 2]" 1
544 1 119 TRP HB2 1 119 TRP HE3 4.000 . 5.000 3.175 2.771 4.130 . 0 0 "[ . 1 . 2]" 1
545 1 120 LYS QE 1 120 LYS HG3 3.500 . 4.000 2.752 2.306 3.510 . 0 0 "[ . 1 . 2]" 1
546 1 120 LYS HA 1 120 LYS HG3 3.500 . 4.000 3.061 2.491 3.773 . 0 0 "[ . 1 . 2]" 1
547 1 120 LYS HA 1 120 LYS HG2 3.500 . 4.000 3.131 2.530 3.792 . 0 0 "[ . 1 . 2]" 1
548 1 120 LYS H 1 120 LYS HB3 3.500 . 4.000 3.157 2.534 3.808 . 0 0 "[ . 1 . 2]" 1
549 1 120 LYS H 1 120 LYS HB2 3.500 . 4.000 2.883 2.464 3.901 . 0 0 "[ . 1 . 2]" 1
550 1 120 LYS H 1 120 LYS QG 4.000 . 5.000 3.376 2.051 4.490 . 0 0 "[ . 1 . 2]" 1
551 1 121 ILE HA 1 121 ILE MD 4.500 . 5.500 3.363 2.036 4.185 . 0 0 "[ . 1 . 2]" 1
552 1 121 ILE HA 1 121 ILE HG13 4.000 . 5.000 3.209 2.371 3.929 . 0 0 "[ . 1 . 2]" 1
553 1 121 ILE HA 1 121 ILE HG12 4.000 . 5.000 3.015 2.572 3.676 . 0 0 "[ . 1 . 2]" 1
554 1 121 ILE HA 1 121 ILE MG 3.500 . 4.000 2.341 2.205 2.409 . 0 0 "[ . 1 . 2]" 1
555 1 121 ILE H 1 121 ILE HA 2.500 . 3.000 2.902 2.272 2.949 . 0 0 "[ . 1 . 2]" 1
556 1 121 ILE H 1 121 ILE HB 3.500 . 4.000 2.877 2.509 3.845 . 0 0 "[ . 1 . 2]" 1
557 1 121 ILE H 1 121 ILE HG13 4.000 . 5.000 3.177 2.113 4.191 . 0 0 "[ . 1 . 2]" 1
558 1 121 ILE H 1 121 ILE HG12 3.500 . 4.000 3.431 1.945 4.363 0.363 7 0 "[ . 1 . 2]" 1
559 1 121 ILE H 1 121 ILE MG 4.500 . 5.500 3.816 3.251 4.030 . 0 0 "[ . 1 . 2]" 1
560 1 122 ASP H 1 122 ASP HA 2.500 . 3.000 2.880 2.269 2.947 . 0 0 "[ . 1 . 2]" 1
561 1 122 ASP H 1 122 ASP HB3 3.500 . 4.000 3.351 2.471 4.038 0.038 15 0 "[ . 1 . 2]" 1
562 1 122 ASP H 1 122 ASP HB2 4.000 . 5.000 2.885 2.468 3.988 . 0 0 "[ . 1 . 2]" 1
563 1 123 THR HA 1 123 THR MG 3.000 . 3.500 2.704 2.341 3.207 . 0 0 "[ . 1 . 2]" 1
564 1 123 THR H 1 123 THR HA 3.000 . 3.500 2.843 2.274 2.945 . 0 0 "[ . 1 . 2]" 1
565 1 123 THR H 1 123 THR HB 3.500 . 4.000 3.291 2.543 4.011 0.011 13 0 "[ . 1 . 2]" 1
566 1 123 THR H 1 123 THR MG 4.500 . 5.500 2.758 1.889 4.024 . 0 0 "[ . 1 . 2]" 1
567 1 124 LYS HA 1 124 LYS QD 4.000 . 5.000 3.668 2.031 4.521 . 0 0 "[ . 1 . 2]" 1
568 1 124 LYS H 1 124 LYS HB3 4.000 . 5.000 3.415 2.505 4.079 . 0 0 "[ . 1 . 2]" 1
569 1 124 LYS H 1 124 LYS HB2 4.000 . 5.000 3.182 2.375 3.872 . 0 0 "[ . 1 . 2]" 1
570 1 124 LYS H 1 124 LYS QG 4.000 . 5.000 2.961 1.804 4.207 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 536
_Distance_constraint_stats_list.Viol_count 522
_Distance_constraint_stats_list.Viol_total 728.387
_Distance_constraint_stats_list.Viol_max 0.644
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0698
_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 8 LYS 0.214 0.047 18 0 "[ . 1 . 2]"
1 9 LYS 0.380 0.053 17 0 "[ . 1 . 2]"
1 10 ASP 0.331 0.053 17 0 "[ . 1 . 2]"
1 11 GLU 0.413 0.063 2 0 "[ . 1 . 2]"
1 12 HIS 0.421 0.063 2 0 "[ . 1 . 2]"
1 13 LYS 0.174 0.060 13 0 "[ . 1 . 2]"
1 14 GLN 0.164 0.039 19 0 "[ . 1 . 2]"
1 15 GLN 0.164 0.039 19 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.515 0.103 3 0 "[ . 1 . 2]"
1 18 LEU 0.523 0.103 3 0 "[ . 1 . 2]"
1 19 TYR 1.409 0.091 11 0 "[ . 1 . 2]"
1 20 MET 1.401 0.091 11 0 "[ . 1 . 2]"
1 21 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.020 0.020 1 0 "[ . 1 . 2]"
1 25 ASP 0.020 0.020 1 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.344 0.150 7 0 "[ . 1 . 2]"
1 31 HIS 0.344 0.150 7 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.281 0.033 17 0 "[ . 1 . 2]"
1 36 ALA 0.281 0.033 17 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.576 0.087 14 0 "[ . 1 . 2]"
1 39 LYS 0.576 0.087 14 0 "[ . 1 . 2]"
1 40 LEU 0.013 0.013 8 0 "[ . 1 . 2]"
1 41 SER 0.013 0.013 8 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.916 0.517 4 1 "[ +. 1 . 2]"
1 47 GLU 1.203 0.517 4 1 "[ +. 1 . 2]"
1 48 GLN 0.287 0.054 5 0 "[ . 1 . 2]"
1 49 THR 0.510 0.094 18 0 "[ . 1 . 2]"
1 50 MET 0.565 0.094 18 0 "[ . 1 . 2]"
1 51 GLU 0.055 0.055 11 0 "[ . 1 . 2]"
1 52 GLU 1.825 0.209 10 0 "[ . 1 . 2]"
1 53 ASP 1.843 0.209 10 0 "[ . 1 . 2]"
1 54 ASN 0.018 0.012 10 0 "[ . 1 . 2]"
1 55 PRO 2.157 0.644 8 2 "[ . -+ 1 . 2]"
1 56 LEU 2.248 0.644 8 2 "[ . -+ 1 . 2]"
1 57 GLY 0.090 0.090 19 0 "[ . 1 . 2]"
1 58 SER 0.050 0.050 20 0 "[ . 1 . 2]"
1 59 LEU 1.099 0.354 8 0 "[ . 1 . 2]"
1 60 CYS 1.049 0.354 8 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.026 0.025 12 0 "[ . 1 . 2]"
1 66 LEU 0.132 0.106 9 0 "[ . 1 . 2]"
1 67 ASN 0.136 0.106 9 0 "[ . 1 . 2]"
1 68 THR 0.099 0.068 11 0 "[ . 1 . 2]"
1 69 TYR 0.068 0.068 11 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.114 0.018 19 0 "[ . 1 . 2]"
1 75 PRO 0.114 0.018 19 0 "[ . 1 . 2]"
1 76 GLN 1.254 0.088 7 0 "[ . 1 . 2]"
1 77 GLY 1.254 0.088 7 0 "[ . 1 . 2]"
1 78 LYS 2.226 0.520 9 1 "[ . +1 . 2]"
1 79 ASN 2.379 0.520 9 1 "[ . +1 . 2]"
1 80 GLN 0.169 0.058 15 0 "[ . 1 . 2]"
1 81 LYS 0.015 0.008 19 0 "[ . 1 . 2]"
1 82 SER 0.094 0.032 9 0 "[ . 1 . 2]"
1 83 PHE 0.094 0.032 9 0 "[ . 1 . 2]"
1 84 VAL 0.154 0.042 5 0 "[ . 1 . 2]"
1 85 PHE 0.154 0.042 5 0 "[ . 1 . 2]"
1 86 ILE 0.328 0.058 18 0 "[ . 1 . 2]"
1 87 LEU 0.634 0.129 11 0 "[ . 1 . 2]"
1 88 GLU 0.318 0.129 11 0 "[ . 1 . 2]"
1 89 PRO 0.711 0.132 18 0 "[ . 1 . 2]"
1 90 LYS 0.699 0.132 18 0 "[ . 1 . 2]"
1 91 GLN 2.346 0.469 3 0 "[ . 1 . 2]"
1 92 GLN 3.264 0.469 3 0 "[ . 1 . 2]"
1 93 GLY 0.917 0.238 3 0 "[ . 1 . 2]"
1 94 ASP 3.179 0.448 18 0 "[ . 1 . 2]"
1 95 PRO 3.179 0.448 18 0 "[ . 1 . 2]"
1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.103 0.030 7 0 "[ . 1 . 2]"
1 102 ASP 0.994 0.245 2 0 "[ . 1 . 2]"
1 103 ARG 1.720 0.245 2 0 "[ . 1 . 2]"
1 104 VAL 2.185 0.382 5 0 "[ . 1 . 2]"
1 105 GLU 1.357 0.382 5 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 PHE 5.576 0.571 12 2 "[ . - 1 + . 2]"
1 109 GLU 5.576 0.571 12 2 "[ . - 1 + . 2]"
1 110 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PHE 0.650 0.182 14 0 "[ . 1 . 2]"
1 112 GLN 0.790 0.182 14 0 "[ . 1 . 2]"
1 113 SER 0.140 0.030 15 0 "[ . 1 . 2]"
1 114 ILE 0.110 0.034 6 0 "[ . 1 . 2]"
1 115 ARG 0.110 0.034 6 0 "[ . 1 . 2]"
1 116 GLU 0.019 0.009 20 0 "[ . 1 . 2]"
1 117 ILE 0.019 0.009 20 0 "[ . 1 . 2]"
1 118 THR 1.658 0.345 13 0 "[ . 1 . 2]"
1 119 TRP 2.387 0.345 13 0 "[ . 1 . 2]"
1 120 LYS 0.845 0.122 13 0 "[ . 1 . 2]"
1 121 ILE 1.006 0.078 15 0 "[ . 1 . 2]"
1 122 ASP 0.966 0.078 15 0 "[ . 1 . 2]"
1 123 THR 0.077 0.043 16 0 "[ . 1 . 2]"
1 124 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 LYS HA 1 9 LYS H 2.500 . 3.000 2.440 2.133 3.047 0.047 18 0 "[ . 1 . 2]" 2
2 1 9 LYS HA 1 10 ASP H 2.500 . 3.000 2.451 2.140 3.053 0.053 17 0 "[ . 1 . 2]" 2
3 1 10 ASP HA 1 11 GLU H 3.000 . 3.500 2.733 2.138 3.550 0.050 8 0 "[ . 1 . 2]" 2
4 1 10 ASP HB3 1 11 GLU H 4.000 . 5.000 3.486 2.086 4.486 . 0 0 "[ . 1 . 2]" 2
5 1 10 ASP HB2 1 11 GLU H 4.000 . 5.000 3.732 1.822 4.499 . 0 0 "[ . 1 . 2]" 2
6 1 11 GLU HA 1 12 HIS H 3.000 . 3.500 2.698 2.139 3.563 0.063 2 0 "[ . 1 . 2]" 2
7 1 12 HIS HA 1 13 LYS QB 4.000 . 5.000 4.408 4.026 4.872 . 0 0 "[ . 1 . 2]" 2
8 1 12 HIS HA 1 13 LYS H 3.000 . 3.500 2.567 2.135 3.560 0.060 13 0 "[ . 1 . 2]" 2
9 1 12 HIS QB 1 13 LYS H 4.000 . 5.000 3.182 1.895 3.994 . 0 0 "[ . 1 . 2]" 2
10 1 13 LYS HA 1 14 GLN H 2.500 . 3.000 2.196 2.141 2.339 . 0 0 "[ . 1 . 2]" 2
11 1 14 GLN HA 1 15 GLN H 2.500 . 3.000 2.162 2.138 2.210 . 0 0 "[ . 1 . 2]" 2
12 1 14 GLN HB3 1 15 GLN H 4.000 . 5.000 4.049 2.955 4.490 . 0 0 "[ . 1 . 2]" 2
13 1 14 GLN HB2 1 15 GLN H 4.000 . 5.000 4.339 4.099 4.559 . 0 0 "[ . 1 . 2]" 2
14 1 14 GLN HE21 1 15 GLN H 4.500 . 5.500 5.009 3.733 5.507 0.007 1 0 "[ . 1 . 2]" 2
15 1 14 GLN HE22 1 15 GLN H 4.500 . 5.500 4.788 4.259 5.272 . 0 0 "[ . 1 . 2]" 2
16 1 14 GLN HG2 1 15 GLN H 4.000 . 5.000 4.869 3.972 5.039 0.039 19 0 "[ . 1 . 2]" 2
17 1 14 GLN H 1 15 GLN H 4.000 . 5.000 4.351 4.238 4.610 . 0 0 "[ . 1 . 2]" 2
18 1 15 GLN HA 1 16 GLY H 3.500 . 4.000 2.208 2.157 2.302 . 0 0 "[ . 1 . 2]" 2
19 1 15 GLN QB 1 16 GLY H 3.500 . 4.000 3.112 2.648 3.629 . 0 0 "[ . 1 . 2]" 2
20 1 15 GLN H 1 16 GLY H 4.000 . 5.000 4.330 4.135 4.442 . 0 0 "[ . 1 . 2]" 2
21 1 16 GLY HA3 1 17 GLU H 3.500 . 4.000 2.167 2.137 2.238 . 0 0 "[ . 1 . 2]" 2
22 1 16 GLY HA2 1 17 GLU H 3.500 . 4.000 3.128 2.961 3.246 . 0 0 "[ . 1 . 2]" 2
23 1 17 GLU HA 1 18 LEU H 3.000 . 3.500 2.257 2.165 2.392 . 0 0 "[ . 1 . 2]" 2
24 1 17 GLU HB3 1 18 LEU H 3.500 . 4.000 2.830 2.444 3.174 . 0 0 "[ . 1 . 2]" 2
25 1 17 GLU HB2 1 18 LEU H 4.000 . 5.000 3.890 3.595 4.115 . 0 0 "[ . 1 . 2]" 2
26 1 17 GLU HG3 1 18 LEU H 4.000 . 5.000 4.779 4.005 5.103 0.103 3 0 "[ . 1 . 2]" 2
27 1 18 LEU HA 1 19 TYR H 3.000 . 3.500 2.459 2.338 2.589 . 0 0 "[ . 1 . 2]" 2
28 1 18 LEU HB3 1 19 TYR H 4.000 . 5.000 2.609 2.362 3.051 . 0 0 "[ . 1 . 2]" 2
29 1 18 LEU HB2 1 19 TYR H 4.000 . 5.000 3.926 3.770 4.150 . 0 0 "[ . 1 . 2]" 2
30 1 18 LEU MD1 1 19 TYR H 4.500 . 5.500 3.909 3.682 4.129 . 0 0 "[ . 1 . 2]" 2
31 1 18 LEU MD2 1 19 TYR H 4.500 . 5.500 1.991 1.792 2.325 0.008 7 0 "[ . 1 . 2]" 2
32 1 18 LEU HG 1 19 TYR H 4.000 . 5.000 4.024 3.869 4.297 . 0 0 "[ . 1 . 2]" 2
33 1 19 TYR HA 1 20 MET H 3.500 . 4.000 2.182 2.128 2.231 . 0 0 "[ . 1 . 2]" 2
34 1 19 TYR HB2 1 20 MET H 4.000 . 5.000 4.065 3.889 4.292 . 0 0 "[ . 1 . 2]" 2
35 1 19 TYR HB3 1 20 MET H 4.000 . 5.000 3.071 2.871 3.559 . 0 0 "[ . 1 . 2]" 2
36 1 19 TYR QD 1 20 MET H 4.500 . 5.500 4.205 3.919 4.563 . 0 0 "[ . 1 . 2]" 2
37 1 19 TYR H 1 20 MET H 4.000 . 5.000 4.412 4.126 4.509 . 0 0 "[ . 1 . 2]" 2
38 1 19 TYR QD 1 20 MET HG3 5.000 . 6.000 6.070 6.032 6.091 0.091 11 0 "[ . 1 . 2]" 2
39 1 20 MET HA 1 21 TRP H 3.500 . 4.000 2.223 2.159 2.314 . 0 0 "[ . 1 . 2]" 2
40 1 20 MET HB2 1 21 TRP H 4.000 . 5.000 4.087 3.894 4.242 . 0 0 "[ . 1 . 2]" 2
41 1 20 MET HG3 1 21 TRP H 4.000 . 5.000 4.725 4.446 4.819 . 0 0 "[ . 1 . 2]" 2
42 1 20 MET HG2 1 21 TRP H 4.000 . 5.000 4.074 3.908 4.957 . 0 0 "[ . 1 . 2]" 2
43 1 21 TRP HA 1 22 ASP H 3.000 . 3.500 2.137 2.124 2.154 . 0 0 "[ . 1 . 2]" 2
44 1 21 TRP HB3 1 22 ASP H 4.000 . 5.000 4.332 4.221 4.456 . 0 0 "[ . 1 . 2]" 2
45 1 22 ASP HA 1 23 SER H 2.500 . 3.000 2.181 2.150 2.231 . 0 0 "[ . 1 . 2]" 2
46 1 22 ASP HB3 1 23 SER H 4.000 . 5.000 3.950 3.756 4.381 . 0 0 "[ . 1 . 2]" 2
47 1 22 ASP HB2 1 23 SER H 4.000 . 5.000 4.483 4.420 4.547 . 0 0 "[ . 1 . 2]" 2
48 1 22 ASP H 1 23 SER H 4.000 . 5.000 4.149 3.941 4.289 . 0 0 "[ . 1 . 2]" 2
49 1 23 SER HA 1 24 ILE H 4.000 . 5.000 3.277 3.179 3.341 . 0 0 "[ . 1 . 2]" 2
50 1 23 SER HB2 1 24 ILE H 4.000 . 5.000 4.163 3.582 4.439 . 0 0 "[ . 1 . 2]" 2
51 1 23 SER H 1 24 ILE H 3.000 . 3.500 2.608 2.553 2.693 . 0 0 "[ . 1 . 2]" 2
52 1 24 ILE MG 1 25 ASP HB2 4.500 . 5.500 4.309 4.050 4.863 . 0 0 "[ . 1 . 2]" 2
53 1 24 ILE MG 1 25 ASP HB3 5.500 . 6.500 4.884 4.684 5.291 . 0 0 "[ . 1 . 2]" 2
54 1 24 ILE MG 1 25 ASP HA 4.500 . 5.500 3.680 3.467 3.920 . 0 0 "[ . 1 . 2]" 2
55 1 24 ILE HA 1 25 ASP H 4.000 . 5.000 3.536 3.450 3.561 . 0 0 "[ . 1 . 2]" 2
56 1 24 ILE HB 1 25 ASP H 2.500 . 3.000 2.397 2.125 2.895 . 0 0 "[ . 1 . 2]" 2
57 1 24 ILE HG13 1 25 ASP H 4.000 . 5.000 4.329 4.013 4.836 . 0 0 "[ . 1 . 2]" 2
58 1 24 ILE HG12 1 25 ASP H 4.000 . 5.000 4.626 4.001 5.020 0.020 1 0 "[ . 1 . 2]" 2
59 1 24 ILE MG 1 25 ASP H 4.000 . 5.000 3.318 3.054 3.751 . 0 0 "[ . 1 . 2]" 2
60 1 24 ILE H 1 25 ASP H 3.000 . 3.500 2.502 1.964 2.775 . 0 0 "[ . 1 . 2]" 2
61 1 25 ASP HA 1 26 GLN H 4.000 . 5.000 3.251 3.209 3.314 . 0 0 "[ . 1 . 2]" 2
62 1 25 ASP HB3 1 26 GLN H 4.000 . 5.000 4.218 4.146 4.267 . 0 0 "[ . 1 . 2]" 2
63 1 25 ASP H 1 26 GLN H 3.500 . 4.000 2.069 1.830 2.290 . 0 0 "[ . 1 . 2]" 2
64 1 25 ASP H 1 26 GLN HA 4.000 . 5.000 4.202 3.948 4.437 . 0 0 "[ . 1 . 2]" 2
65 1 26 GLN HA 1 27 LYS H 3.500 . 4.000 2.395 2.343 2.504 . 0 0 "[ . 1 . 2]" 2
66 1 26 GLN HB3 1 27 LYS H 4.000 . 5.000 4.243 4.208 4.306 . 0 0 "[ . 1 . 2]" 2
67 1 26 GLN H 1 27 LYS H 3.500 . 4.000 3.083 3.026 3.145 . 0 0 "[ . 1 . 2]" 2
68 1 26 GLN H 1 27 LYS QG 4.000 . 5.000 3.902 3.575 4.114 . 0 0 "[ . 1 . 2]" 2
69 1 27 LYS HA 1 28 TRP H 2.500 . 3.000 2.563 2.470 2.676 . 0 0 "[ . 1 . 2]" 2
70 1 27 LYS QB 1 28 TRP H 3.000 . 3.500 2.156 1.881 2.322 . 0 0 "[ . 1 . 2]" 2
71 1 27 LYS QG 1 28 TRP H 3.500 . 4.000 3.143 2.796 3.587 . 0 0 "[ . 1 . 2]" 2
72 1 27 LYS H 1 28 TRP H 4.000 . 5.000 4.364 4.344 4.376 . 0 0 "[ . 1 . 2]" 2
73 1 27 LYS HA 1 28 TRP HD1 4.000 . 5.000 3.844 3.577 4.283 . 0 0 "[ . 1 . 2]" 2
74 1 28 TRP HA 1 29 THR HA 4.000 . 5.000 4.402 4.389 4.424 . 0 0 "[ . 1 . 2]" 2
75 1 28 TRP HA 1 29 THR MG 5.500 . 6.500 3.739 3.576 4.026 . 0 0 "[ . 1 . 2]" 2
76 1 28 TRP HA 1 29 THR H 3.000 . 3.500 2.159 2.140 2.210 . 0 0 "[ . 1 . 2]" 2
77 1 28 TRP QB 1 29 THR H 4.000 . 5.000 3.234 2.876 3.544 . 0 0 "[ . 1 . 2]" 2
78 1 28 TRP HE3 1 29 THR H 4.000 . 5.000 3.620 3.159 4.033 . 0 0 "[ . 1 . 2]" 2
79 1 28 TRP H 1 29 THR H 4.000 . 5.000 4.391 4.175 4.531 . 0 0 "[ . 1 . 2]" 2
80 1 29 THR HA 1 30 ARG H 3.000 . 3.500 2.401 2.197 2.468 . 0 0 "[ . 1 . 2]" 2
81 1 29 THR MG 1 30 ARG H 4.500 . 5.500 3.649 3.473 3.871 . 0 0 "[ . 1 . 2]" 2
82 1 30 ARG HA 1 31 HIS H 3.500 . 4.000 2.150 2.137 2.176 . 0 0 "[ . 1 . 2]" 2
83 1 30 ARG QB 1 31 HIS H 4.000 . 5.000 3.723 3.171 3.822 . 0 0 "[ . 1 . 2]" 2
84 1 30 ARG QD 1 31 HIS H 4.000 . 5.000 4.839 4.543 5.031 0.031 5 0 "[ . 1 . 2]" 2
85 1 30 ARG HG3 1 31 HIS H 4.000 . 5.000 3.411 2.924 5.150 0.150 7 0 "[ . 1 . 2]" 2
86 1 31 HIS HA 1 32 TYR H 3.500 . 4.000 2.264 2.167 2.381 . 0 0 "[ . 1 . 2]" 2
87 1 31 HIS HB3 1 32 TYR H 4.000 . 5.000 3.001 2.481 3.994 . 0 0 "[ . 1 . 2]" 2
88 1 31 HIS HB2 1 32 TYR H 4.000 . 5.000 3.622 3.032 4.258 . 0 0 "[ . 1 . 2]" 2
89 1 31 HIS H 1 32 TYR H 4.000 . 5.000 4.437 4.356 4.496 . 0 0 "[ . 1 . 2]" 2
90 1 32 TYR HA 1 33 CYS H 3.000 . 3.500 2.190 2.155 2.206 . 0 0 "[ . 1 . 2]" 2
91 1 32 TYR HB2 1 33 CYS H 4.000 . 5.000 4.522 4.455 4.566 . 0 0 "[ . 1 . 2]" 2
92 1 32 TYR HB3 1 33 CYS H 4.000 . 5.000 4.411 4.364 4.445 . 0 0 "[ . 1 . 2]" 2
93 1 32 TYR QD 1 33 CYS H 4.500 . 5.500 4.146 4.015 4.224 . 0 0 "[ . 1 . 2]" 2
94 1 33 CYS HA 1 34 ALA MB 5.500 . 6.500 3.842 3.823 3.865 . 0 0 "[ . 1 . 2]" 2
95 1 33 CYS HA 1 34 ALA H 3.000 . 3.500 2.356 2.280 2.414 . 0 0 "[ . 1 . 2]" 2
96 1 33 CYS QB 1 34 ALA H 3.500 . 4.000 2.423 2.286 2.594 . 0 0 "[ . 1 . 2]" 2
97 1 34 ALA HA 1 35 ILE H 3.000 . 3.500 2.150 2.137 2.180 . 0 0 "[ . 1 . 2]" 2
98 1 34 ALA MB 1 35 ILE H 4.000 . 5.000 3.241 3.034 3.309 . 0 0 "[ . 1 . 2]" 2
99 1 35 ILE MG 1 36 ALA MB 4.500 . 5.500 4.179 3.957 4.317 . 0 0 "[ . 1 . 2]" 2
100 1 35 ILE MG 1 36 ALA HA 4.000 . 5.000 3.577 3.133 3.815 . 0 0 "[ . 1 . 2]" 2
101 1 35 ILE HA 1 36 ALA MB 4.500 . 5.500 4.005 3.910 4.065 . 0 0 "[ . 1 . 2]" 2
102 1 35 ILE HA 1 36 ALA H 3.000 . 3.500 2.139 2.118 2.193 . 0 0 "[ . 1 . 2]" 2
103 1 35 ILE HB 1 36 ALA H 4.000 . 5.000 4.282 4.000 4.421 . 0 0 "[ . 1 . 2]" 2
104 1 35 ILE HG12 1 36 ALA H 4.000 . 5.000 4.415 4.253 4.593 . 0 0 "[ . 1 . 2]" 2
105 1 35 ILE HG13 1 36 ALA H 4.000 . 5.000 5.008 4.930 5.033 0.033 17 0 "[ . 1 . 2]" 2
106 1 35 ILE MG 1 36 ALA H 4.000 . 5.000 2.846 2.350 3.134 . 0 0 "[ . 1 . 2]" 2
107 1 35 ILE H 1 36 ALA H 4.000 . 5.000 4.412 4.286 4.559 . 0 0 "[ . 1 . 2]" 2
108 1 36 ALA MB 1 37 ASP HB3 4.500 . 5.500 4.600 3.722 5.008 . 0 0 "[ . 1 . 2]" 2
109 1 36 ALA MB 1 37 ASP HB2 4.500 . 5.500 3.762 3.689 3.869 . 0 0 "[ . 1 . 2]" 2
110 1 36 ALA MB 1 37 ASP HA 4.000 . 5.000 4.617 4.454 4.701 . 0 0 "[ . 1 . 2]" 2
111 1 36 ALA HA 1 37 ASP H 3.500 . 4.000 2.151 2.135 2.205 . 0 0 "[ . 1 . 2]" 2
112 1 36 ALA MB 1 37 ASP H 4.500 . 5.500 3.136 2.879 3.256 . 0 0 "[ . 1 . 2]" 2
113 1 37 ASP HB2 1 38 ALA MB 4.500 . 5.500 4.263 3.732 4.818 . 0 0 "[ . 1 . 2]" 2
114 1 37 ASP HA 1 38 ALA MB 4.000 . 5.000 4.222 3.798 4.411 . 0 0 "[ . 1 . 2]" 2
115 1 37 ASP HA 1 38 ALA H 4.000 . 5.000 3.382 2.720 3.549 . 0 0 "[ . 1 . 2]" 2
116 1 37 ASP HB3 1 38 ALA H 4.000 . 5.000 2.835 1.836 4.457 . 0 0 "[ . 1 . 2]" 2
117 1 37 ASP HB2 1 38 ALA H 4.000 . 5.000 2.821 1.852 4.304 . 0 0 "[ . 1 . 2]" 2
118 1 37 ASP H 1 38 ALA H 4.000 . 5.000 3.797 2.739 4.110 . 0 0 "[ . 1 . 2]" 2
119 1 38 ALA MB 1 39 LYS QE 5.500 . 6.500 4.353 4.017 4.756 . 0 0 "[ . 1 . 2]" 2
120 1 38 ALA HA 1 39 LYS H 4.000 . 5.000 3.205 2.995 3.469 . 0 0 "[ . 1 . 2]" 2
121 1 38 ALA MB 1 39 LYS H 4.000 . 5.000 3.359 2.904 3.589 . 0 0 "[ . 1 . 2]" 2
122 1 38 ALA H 1 39 LYS H 3.500 . 4.000 1.976 1.713 2.699 0.087 14 0 "[ . 1 . 2]" 2
123 1 39 LYS HA 1 40 LEU H 2.500 . 3.000 2.331 2.173 2.516 . 0 0 "[ . 1 . 2]" 2
124 1 39 LYS H 1 40 LEU H 4.000 . 5.000 4.482 4.349 4.560 . 0 0 "[ . 1 . 2]" 2
125 1 40 LEU MD2 1 41 SER HA 5.500 . 6.500 5.273 4.995 5.370 . 0 0 "[ . 1 . 2]" 2
126 1 40 LEU HA 1 41 SER H 3.000 . 3.500 2.157 2.143 2.272 . 0 0 "[ . 1 . 2]" 2
127 1 40 LEU QB 1 41 SER H 4.000 . 5.000 3.831 3.553 3.854 . 0 0 "[ . 1 . 2]" 2
128 1 40 LEU QD 1 41 SER H 4.000 . 5.000 2.372 1.787 2.635 0.013 8 0 "[ . 1 . 2]" 2
129 1 40 LEU HG 1 41 SER H 4.000 . 5.000 3.501 2.702 3.652 . 0 0 "[ . 1 . 2]" 2
130 1 41 SER HA 1 42 PHE H 3.000 . 3.500 2.141 2.131 2.154 . 0 0 "[ . 1 . 2]" 2
131 1 41 SER QB 1 42 PHE H 4.000 . 5.000 3.351 3.148 3.822 . 0 0 "[ . 1 . 2]" 2
132 1 41 SER H 1 42 PHE H 4.000 . 5.000 4.340 4.150 4.428 . 0 0 "[ . 1 . 2]" 2
133 1 42 PHE HA 1 43 SER H 3.500 . 4.000 2.184 2.144 2.233 . 0 0 "[ . 1 . 2]" 2
134 1 42 PHE HB3 1 43 SER H 4.000 . 5.000 4.067 3.943 4.161 . 0 0 "[ . 1 . 2]" 2
135 1 42 PHE HB2 1 43 SER H 4.000 . 5.000 3.115 2.899 3.357 . 0 0 "[ . 1 . 2]" 2
136 1 42 PHE QD 1 43 SER H 4.500 . 5.500 4.166 3.873 4.552 . 0 0 "[ . 1 . 2]" 2
137 1 42 PHE H 1 43 SER H 4.000 . 5.000 4.480 4.437 4.536 . 0 0 "[ . 1 . 2]" 2
138 1 43 SER QB 1 44 ASP HA 5.000 . 6.000 4.672 4.345 4.922 . 0 0 "[ . 1 . 2]" 2
139 1 43 SER QB 1 44 ASP H 3.500 . 4.000 2.643 2.115 3.341 . 0 0 "[ . 1 . 2]" 2
140 1 44 ASP HA 1 45 ASP HA 5.000 . 6.000 4.303 4.295 4.314 . 0 0 "[ . 1 . 2]" 2
141 1 44 ASP HA 1 45 ASP H 3.000 . 3.500 2.427 2.402 2.438 . 0 0 "[ . 1 . 2]" 2
142 1 44 ASP QB 1 45 ASP H 3.500 . 4.000 2.646 2.356 3.260 . 0 0 "[ . 1 . 2]" 2
143 1 45 ASP HA 1 46 ILE MG 4.500 . 5.500 3.638 3.464 3.822 . 0 0 "[ . 1 . 2]" 2
144 1 45 ASP HA 1 46 ILE H 3.000 . 3.500 2.203 2.142 2.304 . 0 0 "[ . 1 . 2]" 2
145 1 46 ILE HG12 1 47 GLU HG2 4.000 . 5.000 3.294 3.027 4.428 . 0 0 "[ . 1 . 2]" 2
146 1 46 ILE HG12 1 47 GLU HG3 4.000 . 5.000 4.604 3.058 5.001 0.001 17 0 "[ . 1 . 2]" 2
147 1 46 ILE MG 1 47 GLU HG2 4.000 . 5.000 4.868 4.600 5.517 0.517 4 1 "[ +. 1 . 2]" 2
148 1 46 ILE HA 1 47 GLU H 3.500 . 4.000 3.342 3.147 3.518 . 0 0 "[ . 1 . 2]" 2
149 1 46 ILE HB 1 47 GLU H 4.000 . 5.000 4.116 3.743 4.361 . 0 0 "[ . 1 . 2]" 2
150 1 46 ILE MG 1 47 GLU H 4.500 . 5.500 4.124 3.952 4.284 . 0 0 "[ . 1 . 2]" 2
151 1 46 ILE H 1 47 GLU H 3.500 . 4.000 2.265 1.931 2.537 . 0 0 "[ . 1 . 2]" 2
152 1 47 GLU HA 1 48 GLN H 3.500 . 4.000 3.505 3.464 3.559 . 0 0 "[ . 1 . 2]" 2
153 1 47 GLU H 1 48 GLN H 3.500 . 4.000 1.859 1.746 2.383 0.054 5 0 "[ . 1 . 2]" 2
154 1 48 GLN HB3 1 49 THR MG 5.000 . 6.000 5.406 4.353 5.780 . 0 0 "[ . 1 . 2]" 2
155 1 48 GLN HB2 1 49 THR MG 5.000 . 6.000 5.100 4.495 5.670 . 0 0 "[ . 1 . 2]" 2
156 1 48 GLN HB3 1 49 THR H 4.000 . 5.000 4.093 2.167 4.461 . 0 0 "[ . 1 . 2]" 2
157 1 48 GLN HB2 1 49 THR H 4.000 . 5.000 3.847 2.243 4.536 . 0 0 "[ . 1 . 2]" 2
158 1 48 GLN QG 1 49 THR H 4.000 . 5.000 4.381 3.188 4.736 . 0 0 "[ . 1 . 2]" 2
159 1 48 GLN H 1 49 THR MG 4.500 . 5.500 3.744 3.616 4.001 . 0 0 "[ . 1 . 2]" 2
160 1 48 GLN H 1 49 THR H 3.500 . 4.000 2.812 2.353 3.004 . 0 0 "[ . 1 . 2]" 2
161 1 49 THR MG 1 50 MET HA 5.500 . 6.500 5.572 5.463 5.649 . 0 0 "[ . 1 . 2]" 2
162 1 49 THR HA 1 50 MET H 3.000 . 3.500 2.506 2.127 3.563 0.063 2 0 "[ . 1 . 2]" 2
163 1 49 THR HB 1 50 MET H 3.000 . 3.500 3.256 2.690 3.594 0.094 18 0 "[ . 1 . 2]" 2
164 1 49 THR MG 1 50 MET H 4.500 . 5.500 3.923 3.651 4.141 . 0 0 "[ . 1 . 2]" 2
165 1 49 THR H 1 50 MET H 4.000 . 5.000 4.133 2.841 4.639 . 0 0 "[ . 1 . 2]" 2
166 1 50 MET HA 1 51 GLU H 3.000 . 3.500 2.924 2.208 3.555 0.055 11 0 "[ . 1 . 2]" 2
167 1 51 GLU HA 1 52 GLU H 2.500 . 3.000 2.195 2.128 2.477 . 0 0 "[ . 1 . 2]" 2
168 1 52 GLU HA 1 53 ASP H 3.000 . 3.500 3.428 2.278 3.560 0.060 18 0 "[ . 1 . 2]" 2
169 1 52 GLU HB3 1 53 ASP H 3.000 . 3.500 2.703 1.970 3.665 0.165 7 0 "[ . 1 . 2]" 2
170 1 52 GLU HB2 1 53 ASP H 3.000 . 3.500 3.024 2.011 3.709 0.209 10 0 "[ . 1 . 2]" 2
171 1 52 GLU QG 1 53 ASP H 3.500 . 4.000 3.577 3.001 4.048 0.048 11 0 "[ . 1 . 2]" 2
172 1 53 ASP HA 1 54 ASN HA 5.000 . 6.000 4.924 4.466 5.041 . 0 0 "[ . 1 . 2]" 2
173 1 53 ASP HA 1 54 ASN H 3.000 . 3.500 3.125 2.965 3.512 0.012 10 0 "[ . 1 . 2]" 2
174 1 53 ASP H 1 54 ASN H 3.000 . 3.500 2.337 2.028 3.135 . 0 0 "[ . 1 . 2]" 2
175 1 54 ASN QB 1 55 PRO QD 4.000 . 5.000 3.820 3.790 3.839 . 0 0 "[ . 1 . 2]" 2
176 1 54 ASN HA 1 55 PRO HA 5.000 . 6.000 4.682 4.647 4.705 . 0 0 "[ . 1 . 2]" 2
177 1 54 ASN HA 1 55 PRO QD 2.500 . 3.000 2.315 2.264 2.421 . 0 0 "[ . 1 . 2]" 2
178 1 54 ASN HA 1 55 PRO HB2 5.000 . 6.000 5.271 5.100 5.795 . 0 0 "[ . 1 . 2]" 2
179 1 54 ASN HA 1 55 PRO HG2 5.000 . 6.000 4.785 4.718 4.959 . 0 0 "[ . 1 . 2]" 2
180 1 54 ASN HA 1 55 PRO HG3 5.000 . 6.000 4.639 4.574 4.873 . 0 0 "[ . 1 . 2]" 2
181 1 54 ASN H 1 55 PRO QD 4.000 . 5.000 2.240 2.083 2.753 . 0 0 "[ . 1 . 2]" 2
182 1 54 ASN H 1 55 PRO HG3 4.000 . 5.000 4.115 3.448 4.462 . 0 0 "[ . 1 . 2]" 2
183 1 55 PRO HA 1 56 LEU H 3.000 . 3.500 3.151 2.160 3.566 0.066 2 0 "[ . 1 . 2]" 2
184 1 55 PRO HB3 1 56 LEU H 3.500 . 4.000 3.617 2.524 4.644 0.644 8 2 "[ . -+ 1 . 2]" 2
185 1 55 PRO HB2 1 56 LEU H 4.000 . 5.000 2.646 2.086 4.030 . 0 0 "[ . 1 . 2]" 2
186 1 55 PRO QD 1 56 LEU H 4.000 . 5.000 3.241 2.229 4.766 . 0 0 "[ . 1 . 2]" 2
187 1 56 LEU HB3 1 57 GLY QA 4.000 . 5.000 4.391 3.480 4.797 . 0 0 "[ . 1 . 2]" 2
188 1 56 LEU MD1 1 57 GLY QA 4.500 . 5.500 4.507 4.051 5.445 . 0 0 "[ . 1 . 2]" 2
189 1 56 LEU MD2 1 57 GLY QA 4.500 . 5.500 4.801 3.194 5.200 . 0 0 "[ . 1 . 2]" 2
190 1 56 LEU HG 1 57 GLY QA 4.000 . 5.000 4.059 3.472 5.090 0.090 19 0 "[ . 1 . 2]" 2
191 1 56 LEU HA 1 57 GLY H 3.500 . 4.000 2.555 2.143 3.574 . 0 0 "[ . 1 . 2]" 2
192 1 56 LEU HB2 1 57 GLY H 4.000 . 5.000 4.109 3.509 4.547 . 0 0 "[ . 1 . 2]" 2
193 1 56 LEU HB3 1 57 GLY H 4.000 . 5.000 3.596 1.969 4.441 . 0 0 "[ . 1 . 2]" 2
194 1 56 LEU QD 1 57 GLY H 4.000 . 5.000 2.963 2.164 3.874 . 0 0 "[ . 1 . 2]" 2
195 1 58 SER HA 1 59 LEU H 2.500 . 3.000 2.521 2.240 3.050 0.050 20 0 "[ . 1 . 2]" 2
196 1 59 LEU MD2 1 60 CYS HB2 5.500 . 6.500 5.469 3.837 6.854 0.354 8 0 "[ . 1 . 2]" 2
197 1 59 LEU MD1 1 60 CYS HA 4.500 . 5.500 3.928 2.728 5.187 . 0 0 "[ . 1 . 2]" 2
198 1 59 LEU MD2 1 60 CYS HA 4.500 . 5.500 4.527 2.545 5.527 0.027 13 0 "[ . 1 . 2]" 2
199 1 59 LEU HB3 1 60 CYS H 3.500 . 4.000 2.260 1.806 3.852 . 0 0 "[ . 1 . 2]" 2
200 1 59 LEU MD1 1 60 CYS H 4.500 . 5.500 3.301 1.762 4.728 0.038 7 0 "[ . 1 . 2]" 2
201 1 60 CYS HA 1 61 ARG H 3.000 . 3.500 2.203 2.141 2.314 . 0 0 "[ . 1 . 2]" 2
202 1 60 CYS QB 1 61 ARG H 4.000 . 5.000 3.734 3.537 4.044 . 0 0 "[ . 1 . 2]" 2
203 1 60 CYS H 1 61 ARG H 4.000 . 5.000 4.084 3.307 4.444 . 0 0 "[ . 1 . 2]" 2
204 1 61 ARG HA 1 62 GLY H 4.000 . 5.000 3.411 3.173 3.532 . 0 0 "[ . 1 . 2]" 2
205 1 61 ARG QB 1 62 GLY H 4.000 . 5.000 2.989 2.564 3.502 . 0 0 "[ . 1 . 2]" 2
206 1 61 ARG QG 1 62 GLY H 4.000 . 5.000 4.084 3.760 4.540 . 0 0 "[ . 1 . 2]" 2
207 1 61 ARG H 1 62 GLY H 4.000 . 5.000 2.306 2.121 2.514 . 0 0 "[ . 1 . 2]" 2
208 1 62 GLY HA3 1 63 ILE H 3.000 . 3.500 2.842 2.723 2.944 . 0 0 "[ . 1 . 2]" 2
209 1 62 GLY HA2 1 63 ILE H 3.000 . 3.500 2.330 2.251 2.417 . 0 0 "[ . 1 . 2]" 2
210 1 62 GLY H 1 63 ILE H 4.000 . 5.000 4.309 4.172 4.387 . 0 0 "[ . 1 . 2]" 2
211 1 63 ILE MG 1 64 LEU HA 4.000 . 5.000 3.714 3.515 3.928 . 0 0 "[ . 1 . 2]" 2
212 1 63 ILE HA 1 64 LEU H 2.500 . 3.000 2.187 2.141 2.212 . 0 0 "[ . 1 . 2]" 2
213 1 63 ILE MG 1 64 LEU H 4.000 . 5.000 2.401 2.239 2.724 . 0 0 "[ . 1 . 2]" 2
214 1 63 ILE H 1 64 LEU H 4.000 . 5.000 4.339 4.180 4.490 . 0 0 "[ . 1 . 2]" 2
215 1 64 LEU HA 1 65 ASP H 3.000 . 3.500 2.178 2.152 2.242 . 0 0 "[ . 1 . 2]" 2
216 1 64 LEU QB 1 65 ASP H 4.000 . 5.000 3.684 3.448 3.978 . 0 0 "[ . 1 . 2]" 2
217 1 64 LEU MD1 1 65 ASP H 4.500 . 5.500 3.406 2.996 3.704 . 0 0 "[ . 1 . 2]" 2
218 1 65 ASP HA 1 66 LEU H 3.000 . 3.500 3.098 2.165 3.525 0.025 12 0 "[ . 1 . 2]" 2
219 1 65 ASP H 1 66 LEU H 4.000 . 5.000 3.205 2.688 4.331 . 0 0 "[ . 1 . 2]" 2
220 1 66 LEU HA 1 67 ASN H 4.000 . 5.000 3.154 2.721 3.519 . 0 0 "[ . 1 . 2]" 2
221 1 66 LEU HB3 1 67 ASN H 4.000 . 5.000 4.140 1.870 4.453 . 0 0 "[ . 1 . 2]" 2
222 1 66 LEU HB2 1 67 ASN H 4.000 . 5.000 3.655 2.700 4.068 . 0 0 "[ . 1 . 2]" 2
223 1 66 LEU QD 1 67 ASN H 4.500 . 5.500 4.296 3.174 4.429 . 0 0 "[ . 1 . 2]" 2
224 1 66 LEU HG 1 67 ASN H 4.000 . 5.000 4.821 4.403 5.106 0.106 9 0 "[ . 1 . 2]" 2
225 1 66 LEU H 1 67 ASN H 4.000 . 5.000 2.882 2.703 4.628 . 0 0 "[ . 1 . 2]" 2
226 1 67 ASN HA 1 68 THR MG 4.000 . 5.000 4.378 4.184 4.952 . 0 0 "[ . 1 . 2]" 2
227 1 67 ASN HB3 1 68 THR MG 4.500 . 5.500 3.562 3.089 5.014 . 0 0 "[ . 1 . 2]" 2
228 1 67 ASN HB2 1 68 THR MG 4.500 . 5.500 3.151 2.809 3.947 . 0 0 "[ . 1 . 2]" 2
229 1 67 ASN HA 1 68 THR H 3.500 . 4.000 3.327 3.100 3.532 . 0 0 "[ . 1 . 2]" 2
230 1 67 ASN HB3 1 68 THR H 4.000 . 5.000 4.147 3.735 4.426 . 0 0 "[ . 1 . 2]" 2
231 1 67 ASN HB2 1 68 THR H 4.000 . 5.000 3.381 2.668 3.889 . 0 0 "[ . 1 . 2]" 2
232 1 67 ASN H 1 68 THR H 3.500 . 4.000 2.217 1.962 2.852 . 0 0 "[ . 1 . 2]" 2
233 1 67 ASN HD21 1 68 THR MG 4.500 . 5.500 5.272 4.690 5.517 0.017 9 0 "[ . 1 . 2]" 2
234 1 67 ASN H 1 68 THR MG 4.500 . 5.500 3.971 3.146 4.883 . 0 0 "[ . 1 . 2]" 2
235 1 68 THR HA 1 69 TYR H 4.000 . 5.000 2.637 2.435 3.115 . 0 0 "[ . 1 . 2]" 2
236 1 68 THR HB 1 69 TYR H 4.000 . 5.000 4.389 4.255 4.659 . 0 0 "[ . 1 . 2]" 2
237 1 68 THR MG 1 69 TYR H 4.000 . 5.000 4.241 3.320 4.417 . 0 0 "[ . 1 . 2]" 2
238 1 68 THR H 1 69 TYR H 3.500 . 4.000 2.840 1.862 3.249 . 0 0 "[ . 1 . 2]" 2
239 1 68 THR H 1 69 TYR HA 4.000 . 5.000 4.776 4.346 5.068 0.068 11 0 "[ . 1 . 2]" 2
240 1 68 THR H 1 69 TYR HB2 4.000 . 5.000 3.706 3.445 4.048 . 0 0 "[ . 1 . 2]" 2
241 1 68 THR H 1 69 TYR QD 4.500 . 5.500 2.954 2.695 3.306 . 0 0 "[ . 1 . 2]" 2
242 1 68 THR H 1 69 TYR QE 4.500 . 5.500 4.767 4.396 5.318 . 0 0 "[ . 1 . 2]" 2
243 1 69 TYR HA 1 70 ASN H 3.000 . 3.500 2.473 2.455 2.484 . 0 0 "[ . 1 . 2]" 2
244 1 69 TYR HB2 1 70 ASN H 4.000 . 5.000 3.702 3.679 3.776 . 0 0 "[ . 1 . 2]" 2
245 1 69 TYR HB3 1 70 ASN H 4.000 . 5.000 2.268 2.242 2.366 . 0 0 "[ . 1 . 2]" 2
246 1 69 TYR QD 1 70 ASN H 4.500 . 5.500 2.889 2.744 3.028 . 0 0 "[ . 1 . 2]" 2
247 1 69 TYR H 1 70 ASN H 4.000 . 5.000 4.400 4.379 4.486 . 0 0 "[ . 1 . 2]" 2
248 1 70 ASN HA 1 71 VAL QG 4.500 . 5.500 3.395 3.163 3.572 . 0 0 "[ . 1 . 2]" 2
249 1 70 ASN HA 1 71 VAL H 3.000 . 3.500 2.191 2.163 2.490 . 0 0 "[ . 1 . 2]" 2
250 1 70 ASN HB2 1 71 VAL H 4.000 . 5.000 4.191 3.565 4.385 . 0 0 "[ . 1 . 2]" 2
251 1 70 ASN HB3 1 71 VAL H 4.000 . 5.000 3.220 2.324 3.543 . 0 0 "[ . 1 . 2]" 2
252 1 70 ASN H 1 71 VAL H 4.000 . 5.000 4.268 4.119 4.442 . 0 0 "[ . 1 . 2]" 2
253 1 71 VAL HA 1 72 VAL MG1 5.500 . 6.500 4.190 4.102 4.301 . 0 0 "[ . 1 . 2]" 2
254 1 71 VAL QG 1 72 VAL HA 4.000 . 5.000 3.449 3.151 3.598 . 0 0 "[ . 1 . 2]" 2
255 1 71 VAL HA 1 72 VAL MG2 4.000 . 5.000 3.284 3.153 3.345 . 0 0 "[ . 1 . 2]" 2
256 1 71 VAL HA 1 72 VAL H 3.000 . 3.500 2.156 2.110 2.207 . 0 0 "[ . 1 . 2]" 2
257 1 71 VAL HB 1 72 VAL H 4.000 . 5.000 4.022 3.096 4.232 . 0 0 "[ . 1 . 2]" 2
258 1 71 VAL QG 1 72 VAL H 4.500 . 5.500 2.556 2.390 2.860 . 0 0 "[ . 1 . 2]" 2
259 1 71 VAL H 1 72 VAL H 4.000 . 5.000 4.484 4.379 4.548 . 0 0 "[ . 1 . 2]" 2
260 1 72 VAL MG2 1 73 LYS HA 4.000 . 5.000 4.705 4.602 4.777 . 0 0 "[ . 1 . 2]" 2
261 1 72 VAL HA 1 73 LYS H 3.000 . 3.500 2.153 2.135 2.313 . 0 0 "[ . 1 . 2]" 2
262 1 72 VAL HB 1 73 LYS H 3.500 . 4.000 3.375 2.725 3.474 . 0 0 "[ . 1 . 2]" 2
263 1 72 VAL H 1 73 LYS H 4.000 . 5.000 4.213 4.150 4.472 . 0 0 "[ . 1 . 2]" 2
264 1 73 LYS HA 1 74 ALA MB 5.500 . 6.500 4.059 4.045 4.074 . 0 0 "[ . 1 . 2]" 2
265 1 73 LYS HA 1 74 ALA H 3.000 . 3.500 2.166 2.140 2.185 . 0 0 "[ . 1 . 2]" 2
266 1 73 LYS HB3 1 74 ALA H 4.000 . 5.000 4.426 4.375 4.453 . 0 0 "[ . 1 . 2]" 2
267 1 73 LYS QG 1 74 ALA H 3.500 . 4.000 3.305 3.101 3.341 . 0 0 "[ . 1 . 2]" 2
268 1 73 LYS H 1 74 ALA H 4.000 . 5.000 4.313 4.240 4.348 . 0 0 "[ . 1 . 2]" 2
269 1 74 ALA HA 1 75 PRO HB3 5.000 . 6.000 5.139 4.756 5.505 . 0 0 "[ . 1 . 2]" 2
270 1 74 ALA HA 1 75 PRO HB2 5.000 . 6.000 5.331 4.932 5.533 . 0 0 "[ . 1 . 2]" 2
271 1 74 ALA HA 1 75 PRO QG 4.000 . 5.000 3.756 3.655 3.901 . 0 0 "[ . 1 . 2]" 2
272 1 74 ALA MB 1 75 PRO QG 4.500 . 5.500 4.518 4.319 4.608 . 0 0 "[ . 1 . 2]" 2
273 1 74 ALA MB 1 75 PRO HD3 4.000 . 5.000 3.558 3.393 3.842 . 0 0 "[ . 1 . 2]" 2
274 1 74 ALA MB 1 75 PRO HD2 4.000 . 5.000 3.232 2.991 3.385 . 0 0 "[ . 1 . 2]" 2
275 1 74 ALA HA 1 75 PRO HA 5.000 . 6.000 4.490 4.469 4.494 . 0 0 "[ . 1 . 2]" 2
276 1 74 ALA MB 1 75 PRO HA 5.500 . 6.500 4.520 4.482 4.715 . 0 0 "[ . 1 . 2]" 2
277 1 74 ALA HA 1 75 PRO HD3 2.500 . 3.000 1.967 1.782 2.302 0.018 19 0 "[ . 1 . 2]" 2
278 1 74 ALA HA 1 75 PRO HD2 2.500 . 3.000 2.545 2.167 2.781 . 0 0 "[ . 1 . 2]" 2
279 1 74 ALA H 1 75 PRO HD3 4.500 . 5.500 4.457 4.355 4.658 . 0 0 "[ . 1 . 2]" 2
280 1 74 ALA H 1 75 PRO HD2 4.500 . 5.500 5.252 4.929 5.452 . 0 0 "[ . 1 . 2]" 2
281 1 75 PRO HA 1 76 GLN H 4.000 . 5.000 2.923 2.243 3.571 . 0 0 "[ . 1 . 2]" 2
282 1 76 GLN HB3 1 77 GLY H 4.000 . 5.000 4.129 3.082 4.455 . 0 0 "[ . 1 . 2]" 2
283 1 76 GLN HB2 1 77 GLY H 4.000 . 5.000 3.957 3.158 4.649 . 0 0 "[ . 1 . 2]" 2
284 1 76 GLN HG3 1 77 GLY H 4.000 . 5.000 4.782 4.369 5.083 0.083 20 0 "[ . 1 . 2]" 2
285 1 76 GLN HG2 1 77 GLY H 4.000 . 5.000 4.887 4.198 5.088 0.088 7 0 "[ . 1 . 2]" 2
286 1 76 GLN H 1 77 GLY H 4.000 . 5.000 2.776 2.670 3.588 . 0 0 "[ . 1 . 2]" 2
287 1 77 GLY HA3 1 78 LYS H 3.500 . 4.000 2.366 2.190 2.796 . 0 0 "[ . 1 . 2]" 2
288 1 77 GLY HA2 1 78 LYS H 3.000 . 3.500 2.807 2.359 3.045 . 0 0 "[ . 1 . 2]" 2
289 1 77 GLY H 1 78 LYS H 4.000 . 5.000 4.586 4.391 4.644 . 0 0 "[ . 1 . 2]" 2
290 1 78 LYS HA 1 79 ASN H 3.000 . 3.500 3.105 2.170 3.568 0.068 19 0 "[ . 1 . 2]" 2
291 1 78 LYS HB3 1 79 ASN H 4.000 . 5.000 2.795 1.914 3.943 . 0 0 "[ . 1 . 2]" 2
292 1 78 LYS HB2 1 79 ASN H 4.000 . 5.000 3.729 2.817 4.177 . 0 0 "[ . 1 . 2]" 2
293 1 78 LYS QD 1 79 ASN QD 4.000 . 5.000 3.655 2.412 4.641 . 0 0 "[ . 1 . 2]" 2
294 1 78 LYS QD 1 79 ASN H 4.000 . 5.000 4.669 3.846 5.157 0.157 1 0 "[ . 1 . 2]" 2
295 1 78 LYS HG3 1 79 ASN QD 4.000 . 5.000 3.880 1.791 5.520 0.520 9 1 "[ . +1 . 2]" 2
296 1 78 LYS HG3 1 79 ASN H 4.000 . 5.000 4.034 2.477 5.369 0.369 2 0 "[ . 1 . 2]" 2
297 1 78 LYS H 1 79 ASN H 4.000 . 5.000 2.885 1.766 4.494 0.034 12 0 "[ . 1 . 2]" 2
298 1 79 ASN HA 1 80 GLN HB2 5.000 . 6.000 5.006 4.336 5.690 . 0 0 "[ . 1 . 2]" 2
299 1 79 ASN HA 1 80 GLN QG 3.500 . 4.000 3.777 3.600 4.058 0.058 15 0 "[ . 1 . 2]" 2
300 1 79 ASN HA 1 80 GLN H 3.500 . 4.000 2.939 2.167 3.561 . 0 0 "[ . 1 . 2]" 2
301 1 79 ASN HB3 1 80 GLN H 4.000 . 5.000 3.306 2.567 4.133 . 0 0 "[ . 1 . 2]" 2
302 1 79 ASN HB2 1 80 GLN H 4.000 . 5.000 3.034 1.771 4.499 0.029 4 0 "[ . 1 . 2]" 2
303 1 79 ASN H 1 80 GLN H 4.000 . 5.000 3.617 2.528 4.198 . 0 0 "[ . 1 . 2]" 2
304 1 80 GLN HA 1 81 LYS H 4.000 . 5.000 3.107 3.059 3.169 . 0 0 "[ . 1 . 2]" 2
305 1 80 GLN HB3 1 81 LYS H 4.000 . 5.000 4.374 4.332 4.421 . 0 0 "[ . 1 . 2]" 2
306 1 80 GLN H 1 81 LYS H 3.500 . 4.000 2.274 1.793 2.754 0.007 4 0 "[ . 1 . 2]" 2
307 1 80 GLN H 1 81 LYS HB2 4.000 . 5.000 4.337 3.728 5.008 0.008 19 0 "[ . 1 . 2]" 2
308 1 81 LYS HA 1 82 SER H 3.500 . 4.000 2.489 2.336 2.655 . 0 0 "[ . 1 . 2]" 2
309 1 81 LYS HB2 1 82 SER H 4.000 . 5.000 3.512 3.159 3.810 . 0 0 "[ . 1 . 2]" 2
310 1 81 LYS HB3 1 82 SER H 4.000 . 5.000 2.223 1.911 2.569 . 0 0 "[ . 1 . 2]" 2
311 1 81 LYS HD3 1 82 SER H 4.000 . 5.000 3.551 3.180 3.745 . 0 0 "[ . 1 . 2]" 2
312 1 81 LYS HD2 1 82 SER H 4.000 . 5.000 3.637 3.379 3.750 . 0 0 "[ . 1 . 2]" 2
313 1 81 LYS HG2 1 82 SER H 4.000 . 5.000 4.630 4.495 4.784 . 0 0 "[ . 1 . 2]" 2
314 1 82 SER HA 1 83 PHE H 4.000 . 5.000 3.505 3.416 3.567 . 0 0 "[ . 1 . 2]" 2
315 1 82 SER HB3 1 83 PHE H 4.000 . 5.000 3.438 2.290 4.131 . 0 0 "[ . 1 . 2]" 2
316 1 82 SER H 1 83 PHE H 3.500 . 4.000 1.971 1.768 2.350 0.032 9 0 "[ . 1 . 2]" 2
317 1 83 PHE HA 1 84 VAL MG2 4.000 . 5.000 4.021 3.885 4.133 . 0 0 "[ . 1 . 2]" 2
318 1 83 PHE HA 1 84 VAL H 2.500 . 3.000 2.208 2.176 2.247 . 0 0 "[ . 1 . 2]" 2
319 1 83 PHE HB3 1 84 VAL H 4.000 . 5.000 3.857 3.735 4.032 . 0 0 "[ . 1 . 2]" 2
320 1 83 PHE QD 1 84 VAL H 4.500 . 5.500 4.490 4.357 4.604 . 0 0 "[ . 1 . 2]" 2
321 1 84 VAL MG2 1 85 PHE HA 4.500 . 5.500 5.438 5.403 5.476 . 0 0 "[ . 1 . 2]" 2
322 1 84 VAL MG1 1 85 PHE HA 4.000 . 5.000 3.286 3.201 3.382 . 0 0 "[ . 1 . 2]" 2
323 1 84 VAL HA 1 85 PHE H 3.000 . 3.500 2.239 2.193 2.293 . 0 0 "[ . 1 . 2]" 2
324 1 84 VAL HB 1 85 PHE H 3.500 . 4.000 3.955 3.796 4.042 0.042 5 0 "[ . 1 . 2]" 2
325 1 84 VAL MG2 1 85 PHE H 3.500 . 4.000 3.659 3.545 3.786 . 0 0 "[ . 1 . 2]" 2
326 1 84 VAL MG1 1 85 PHE H 3.500 . 4.000 2.145 1.994 2.315 . 0 0 "[ . 1 . 2]" 2
327 1 85 PHE HA 1 86 ILE MD 4.500 . 5.500 4.797 4.585 4.942 . 0 0 "[ . 1 . 2]" 2
328 1 85 PHE HA 1 86 ILE HG13 4.000 . 5.000 3.540 3.275 3.729 . 0 0 "[ . 1 . 2]" 2
329 1 85 PHE HA 1 86 ILE H 3.500 . 4.000 2.219 2.149 2.436 . 0 0 "[ . 1 . 2]" 2
330 1 85 PHE HB3 1 86 ILE H 4.000 . 5.000 3.187 2.534 3.496 . 0 0 "[ . 1 . 2]" 2
331 1 85 PHE HB2 1 86 ILE H 4.000 . 5.000 4.253 3.883 4.417 . 0 0 "[ . 1 . 2]" 2
332 1 85 PHE QD 1 86 ILE H 4.500 . 5.500 4.166 3.610 4.382 . 0 0 "[ . 1 . 2]" 2
333 1 85 PHE H 1 86 ILE H 4.000 . 5.000 4.309 4.154 4.499 . 0 0 "[ . 1 . 2]" 2
334 1 86 ILE HA 1 87 LEU QD 5.500 . 6.500 4.412 3.228 4.669 . 0 0 "[ . 1 . 2]" 2
335 1 86 ILE HA 1 87 LEU H 3.000 . 3.500 2.166 2.137 2.200 . 0 0 "[ . 1 . 2]" 2
336 1 86 ILE HB 1 87 LEU H 3.500 . 4.000 4.000 3.919 4.058 0.058 18 0 "[ . 1 . 2]" 2
337 1 86 ILE HG13 1 87 LEU H 4.000 . 5.000 4.941 4.866 5.005 0.005 11 0 "[ . 1 . 2]" 2
338 1 86 ILE MG 1 87 LEU H 3.500 . 4.000 2.396 2.231 2.531 . 0 0 "[ . 1 . 2]" 2
339 1 87 LEU HB3 1 88 GLU HA 4.000 . 5.000 4.508 4.364 4.574 . 0 0 "[ . 1 . 2]" 2
340 1 87 LEU QD 1 88 GLU HA 4.500 . 5.500 5.073 4.865 5.149 . 0 0 "[ . 1 . 2]" 2
341 1 87 LEU HA 1 88 GLU H 2.500 . 3.000 2.170 2.154 2.205 . 0 0 "[ . 1 . 2]" 2
342 1 87 LEU HB3 1 88 GLU H 3.500 . 4.000 3.247 3.080 3.334 . 0 0 "[ . 1 . 2]" 2
343 1 87 LEU HG 1 88 GLU H 4.000 . 5.000 4.998 4.799 5.129 0.129 11 0 "[ . 1 . 2]" 2
344 1 87 LEU H 1 88 GLU H 4.000 . 5.000 4.450 4.413 4.499 . 0 0 "[ . 1 . 2]" 2
345 1 88 GLU HB3 1 89 PRO QD 3.500 . 4.000 3.359 3.268 3.479 . 0 0 "[ . 1 . 2]" 2
346 1 88 GLU HG2 1 89 PRO QD 4.000 . 5.000 3.831 3.756 3.908 . 0 0 "[ . 1 . 2]" 2
347 1 88 GLU HG3 1 89 PRO QD 4.000 . 5.000 4.613 4.573 4.660 . 0 0 "[ . 1 . 2]" 2
348 1 88 GLU HA 1 89 PRO QD 3.000 . 3.500 1.834 1.807 1.875 . 0 0 "[ . 1 . 2]" 2
349 1 88 GLU H 1 89 PRO HA 4.000 . 5.000 4.950 4.806 5.007 0.007 10 0 "[ . 1 . 2]" 2
350 1 89 PRO QG 1 90 LYS HA 4.000 . 5.000 5.016 4.886 5.132 0.132 18 0 "[ . 1 . 2]" 2
351 1 89 PRO HA 1 90 LYS H 2.500 . 3.000 2.216 2.134 2.285 . 0 0 "[ . 1 . 2]" 2
352 1 89 PRO HB3 1 90 LYS H 3.500 . 4.000 3.654 3.450 4.008 0.008 11 0 "[ . 1 . 2]" 2
353 1 89 PRO HB2 1 90 LYS H 3.500 . 4.000 3.178 2.892 3.605 . 0 0 "[ . 1 . 2]" 2
354 1 90 LYS HA 1 91 GLN H 4.000 . 5.000 3.220 3.126 3.275 . 0 0 "[ . 1 . 2]" 2
355 1 90 LYS HB3 1 91 GLN H 4.000 . 5.000 4.371 4.328 4.439 . 0 0 "[ . 1 . 2]" 2
356 1 90 LYS HG3 1 91 GLN H 4.500 . 5.500 4.544 4.390 4.705 . 0 0 "[ . 1 . 2]" 2
357 1 90 LYS HG2 1 91 GLN H 4.500 . 5.500 5.186 5.112 5.254 . 0 0 "[ . 1 . 2]" 2
358 1 91 GLN HA 1 92 GLN QG 4.000 . 5.000 4.575 3.669 5.126 0.126 17 0 "[ . 1 . 2]" 2
359 1 91 GLN HA 1 92 GLN HA 4.000 . 5.000 4.667 4.323 5.144 0.144 3 0 "[ . 1 . 2]" 2
360 1 91 GLN HA 1 92 GLN H 3.000 . 3.500 3.401 2.111 3.572 0.072 17 0 "[ . 1 . 2]" 2
361 1 91 GLN HB3 1 92 GLN H 3.500 . 4.000 3.039 1.850 4.469 0.469 3 0 "[ . 1 . 2]" 2
362 1 91 GLN QG 1 92 GLN H 4.000 . 5.000 3.379 2.438 4.391 . 0 0 "[ . 1 . 2]" 2
363 1 91 GLN H 1 92 GLN H 4.000 . 5.000 3.058 2.308 4.468 . 0 0 "[ . 1 . 2]" 2
364 1 92 GLN QB 1 93 GLY HA2 5.000 . 6.000 4.314 4.046 5.404 . 0 0 "[ . 1 . 2]" 2
365 1 92 GLN QB 1 93 GLY HA3 5.000 . 6.000 3.765 3.516 4.564 . 0 0 "[ . 1 . 2]" 2
366 1 92 GLN QG 1 93 GLY HA2 5.000 . 6.000 5.002 3.970 5.826 . 0 0 "[ . 1 . 2]" 2
367 1 92 GLN QG 1 93 GLY HA3 4.000 . 5.000 4.648 3.723 5.238 0.238 3 0 "[ . 1 . 2]" 2
368 1 92 GLN HA 1 93 GLY H 3.500 . 4.000 3.272 2.285 3.566 . 0 0 "[ . 1 . 2]" 2
369 1 92 GLN QB 1 93 GLY H 4.000 . 5.000 2.259 1.748 3.938 0.052 19 0 "[ . 1 . 2]" 2
370 1 92 GLN QG 1 93 GLY H 4.000 . 5.000 3.197 1.748 4.584 0.052 10 0 "[ . 1 . 2]" 2
371 1 92 GLN H 1 93 GLY H 4.000 . 5.000 3.160 1.847 4.659 . 0 0 "[ . 1 . 2]" 2
372 1 93 GLY HA2 1 94 ASP H 4.000 . 5.000 2.994 2.747 3.465 . 0 0 "[ . 1 . 2]" 2
373 1 93 GLY HA3 1 94 ASP H 4.000 . 5.000 3.448 3.031 3.562 . 0 0 "[ . 1 . 2]" 2
374 1 93 GLY H 1 94 ASP H 4.000 . 5.000 2.509 2.063 3.248 . 0 0 "[ . 1 . 2]" 2
375 1 94 ASP HB3 1 95 PRO HG2 4.000 . 5.000 4.225 3.347 4.583 . 0 0 "[ . 1 . 2]" 2
376 1 94 ASP HB3 1 95 PRO HG3 4.500 . 5.500 4.746 4.242 5.010 . 0 0 "[ . 1 . 2]" 2
377 1 94 ASP HB2 1 95 PRO HG2 4.000 . 5.000 4.830 4.618 4.989 . 0 0 "[ . 1 . 2]" 2
378 1 94 ASP HB2 1 95 PRO HG3 4.500 . 5.500 5.646 5.540 5.948 0.448 18 0 "[ . 1 . 2]" 2
379 1 94 ASP HB3 1 95 PRO HD3 4.000 . 5.000 3.170 3.024 3.352 . 0 0 "[ . 1 . 2]" 2
380 1 94 ASP HB2 1 95 PRO HD3 4.000 . 5.000 4.145 3.948 4.676 . 0 0 "[ . 1 . 2]" 2
381 1 94 ASP HB3 1 95 PRO HD2 4.000 . 5.000 2.109 1.735 2.352 0.065 11 0 "[ . 1 . 2]" 2
382 1 94 ASP HB2 1 95 PRO HD2 4.000 . 5.000 3.068 2.968 3.410 . 0 0 "[ . 1 . 2]" 2
383 1 94 ASP HA 1 95 PRO HD3 2.500 . 3.000 2.273 2.141 2.609 . 0 0 "[ . 1 . 2]" 2
384 1 94 ASP HA 1 95 PRO HB3 4.000 . 5.000 4.768 4.672 5.028 0.028 11 0 "[ . 1 . 2]" 2
385 1 94 ASP HA 1 95 PRO HD2 2.500 . 3.000 2.698 2.410 2.831 . 0 0 "[ . 1 . 2]" 2
386 1 94 ASP HA 1 95 PRO HG3 4.000 . 5.000 4.493 4.388 4.682 . 0 0 "[ . 1 . 2]" 2
387 1 94 ASP H 1 95 PRO HD3 4.500 . 5.500 4.991 4.855 5.265 . 0 0 "[ . 1 . 2]" 2
388 1 94 ASP H 1 95 PRO HD2 4.500 . 5.500 4.900 4.632 5.017 . 0 0 "[ . 1 . 2]" 2
389 1 95 PRO HB2 1 96 PRO HD2 3.500 . 4.000 2.799 2.527 3.229 . 0 0 "[ . 1 . 2]" 2
390 1 95 PRO HA 1 96 PRO HD2 3.000 . 3.500 2.599 2.528 2.822 . 0 0 "[ . 1 . 2]" 2
391 1 95 PRO HB3 1 96 PRO HD2 3.500 . 4.000 3.434 3.272 3.941 . 0 0 "[ . 1 . 2]" 2
392 1 95 PRO HA 1 96 PRO HB3 5.000 . 6.000 4.804 4.717 5.392 . 0 0 "[ . 1 . 2]" 2
393 1 95 PRO HA 1 96 PRO HD3 2.500 . 3.000 2.076 1.824 2.187 . 0 0 "[ . 1 . 2]" 2
394 1 96 PRO HA 1 97 VAL MG2 4.500 . 5.500 3.240 3.168 3.276 . 0 0 "[ . 1 . 2]" 2
395 1 96 PRO HA 1 97 VAL H 3.000 . 3.500 2.411 2.403 2.423 . 0 0 "[ . 1 . 2]" 2
396 1 96 PRO HB3 1 97 VAL H 3.500 . 4.000 3.507 2.971 3.594 . 0 0 "[ . 1 . 2]" 2
397 1 96 PRO HB2 1 97 VAL H 4.000 . 5.000 2.645 2.596 3.033 . 0 0 "[ . 1 . 2]" 2
398 1 97 VAL HA 1 98 GLU HB2 4.000 . 5.000 4.463 4.443 4.493 . 0 0 "[ . 1 . 2]" 2
399 1 97 VAL HA 1 98 GLU H 2.500 . 3.000 2.163 2.146 2.190 . 0 0 "[ . 1 . 2]" 2
400 1 97 VAL MG1 1 98 GLU H 4.000 . 5.000 2.644 2.512 2.821 . 0 0 "[ . 1 . 2]" 2
401 1 97 VAL MG2 1 98 GLU H 4.500 . 5.500 4.093 4.021 4.189 . 0 0 "[ . 1 . 2]" 2
402 1 98 GLU HA 1 99 PHE H 3.000 . 3.500 2.214 2.195 2.250 . 0 0 "[ . 1 . 2]" 2
403 1 98 GLU HB3 1 99 PHE H 4.000 . 5.000 2.937 2.819 3.017 . 0 0 "[ . 1 . 2]" 2
404 1 98 GLU HB2 1 99 PHE H 4.000 . 5.000 4.071 4.001 4.116 . 0 0 "[ . 1 . 2]" 2
405 1 98 GLU H 1 99 PHE QD 4.500 . 5.500 4.521 4.251 4.674 . 0 0 "[ . 1 . 2]" 2
406 1 99 PHE HA 1 100 ALA MB 4.000 . 5.000 3.869 3.855 3.904 . 0 0 "[ . 1 . 2]" 2
407 1 99 PHE HA 1 100 ALA H 3.500 . 4.000 2.368 2.278 2.412 . 0 0 "[ . 1 . 2]" 2
408 1 99 PHE HB3 1 100 ALA H 4.000 . 5.000 2.599 2.469 2.875 . 0 0 "[ . 1 . 2]" 2
409 1 99 PHE HB2 1 100 ALA H 4.000 . 5.000 3.774 3.606 4.080 . 0 0 "[ . 1 . 2]" 2
410 1 99 PHE QD 1 100 ALA H 4.000 . 5.000 3.878 3.515 4.102 . 0 0 "[ . 1 . 2]" 2
411 1 100 ALA MB 1 101 THR HA 5.500 . 6.500 4.015 3.931 4.125 . 0 0 "[ . 1 . 2]" 2
412 1 100 ALA HA 1 101 THR MG 4.500 . 5.500 3.606 3.408 3.792 . 0 0 "[ . 1 . 2]" 2
413 1 100 ALA HA 1 101 THR H 3.000 . 3.500 2.331 2.210 2.419 . 0 0 "[ . 1 . 2]" 2
414 1 100 ALA MB 1 101 THR H 4.000 . 5.000 2.495 2.293 2.811 . 0 0 "[ . 1 . 2]" 2
415 1 101 THR HA 1 102 ASP H 3.500 . 4.000 2.688 2.583 2.741 . 0 0 "[ . 1 . 2]" 2
416 1 101 THR HB 1 102 ASP H 3.500 . 4.000 1.846 1.770 2.011 0.030 7 0 "[ . 1 . 2]" 2
417 1 101 THR HG1 1 102 ASP H 4.000 . 5.000 3.706 3.354 4.061 . 0 0 "[ . 1 . 2]" 2
418 1 101 THR MG 1 102 ASP H 4.500 . 5.500 3.425 3.362 3.545 . 0 0 "[ . 1 . 2]" 2
419 1 102 ASP HB3 1 103 ARG HG3 4.000 . 5.000 3.729 2.689 5.027 0.027 14 0 "[ . 1 . 2]" 2
420 1 102 ASP HB3 1 103 ARG HG2 4.000 . 5.000 4.434 3.463 5.062 0.062 18 0 "[ . 1 . 2]" 2
421 1 102 ASP HB2 1 103 ARG HG3 4.000 . 5.000 3.283 2.828 4.440 . 0 0 "[ . 1 . 2]" 2
422 1 102 ASP HB2 1 103 ARG HG2 4.000 . 5.000 4.313 3.231 5.063 0.063 2 0 "[ . 1 . 2]" 2
423 1 102 ASP HA 1 103 ARG H 4.000 . 5.000 3.284 3.179 3.459 . 0 0 "[ . 1 . 2]" 2
424 1 102 ASP HB3 1 103 ARG H 4.000 . 5.000 4.178 3.332 4.376 . 0 0 "[ . 1 . 2]" 2
425 1 102 ASP HB2 1 103 ARG H 3.500 . 4.000 3.708 3.241 4.245 0.245 2 0 "[ . 1 . 2]" 2
426 1 102 ASP H 1 103 ARG H 3.000 . 3.500 1.964 1.874 2.129 . 0 0 "[ . 1 . 2]" 2
427 1 103 ARG QB 1 104 VAL MG1 4.500 . 5.000 4.207 3.228 5.130 0.130 2 0 "[ . 1 . 2]" 2
428 1 103 ARG HA 1 104 VAL QG 4.500 . 5.500 3.647 3.357 4.058 . 0 0 "[ . 1 . 2]" 2
429 1 103 ARG QB 1 104 VAL H 4.000 . 5.000 2.412 2.192 2.685 . 0 0 "[ . 1 . 2]" 2
430 1 103 ARG QD 1 104 VAL H 4.000 . 5.000 4.734 3.862 5.061 0.061 1 0 "[ . 1 . 2]" 2
431 1 103 ARG HG3 1 104 VAL H 4.000 . 5.000 4.913 4.771 5.066 0.066 14 0 "[ . 1 . 2]" 2
432 1 103 ARG H 1 104 VAL H 4.000 . 5.000 4.410 4.373 4.461 . 0 0 "[ . 1 . 2]" 2
433 1 104 VAL MG1 1 105 GLU HA 4.500 . 5.500 3.981 3.170 5.447 . 0 0 "[ . 1 . 2]" 2
434 1 104 VAL MG2 1 105 GLU HA 5.500 . 6.500 4.114 3.286 5.408 . 0 0 "[ . 1 . 2]" 2
435 1 104 VAL MG1 1 105 GLU HG2 4.500 . 5.500 4.277 2.407 5.882 0.382 5 0 "[ . 1 . 2]" 2
436 1 104 VAL MG2 1 105 GLU HG2 5.500 . 6.500 4.420 2.402 6.215 . 0 0 "[ . 1 . 2]" 2
437 1 104 VAL MG1 1 105 GLU HG3 5.500 . 6.500 4.295 2.349 6.465 . 0 0 "[ . 1 . 2]" 2
438 1 104 VAL QG 1 105 GLU HA 4.500 . 5.500 3.259 3.010 3.631 . 0 0 "[ . 1 . 2]" 2
439 1 104 VAL HA 1 105 GLU H 4.000 . 5.000 3.504 3.462 3.554 . 0 0 "[ . 1 . 2]" 2
440 1 104 VAL HB 1 105 GLU H 4.000 . 5.000 3.548 2.511 4.037 . 0 0 "[ . 1 . 2]" 2
441 1 104 VAL QG 1 105 GLU H 4.000 . 5.000 2.545 2.160 3.386 . 0 0 "[ . 1 . 2]" 2
442 1 104 VAL H 1 105 GLU H 4.000 . 5.000 2.454 2.416 2.520 . 0 0 "[ . 1 . 2]" 2
443 1 105 GLU HA 1 106 GLU H 4.000 . 5.000 3.567 3.547 3.575 . 0 0 "[ . 1 . 2]" 2
444 1 105 GLU HB3 1 106 GLU H 4.000 . 5.000 3.529 3.402 3.958 . 0 0 "[ . 1 . 2]" 2
445 1 105 GLU HB2 1 106 GLU H 4.000 . 5.000 2.532 2.312 3.485 . 0 0 "[ . 1 . 2]" 2
446 1 105 GLU H 1 106 GLU H 4.000 . 5.000 2.687 2.641 2.778 . 0 0 "[ . 1 . 2]" 2
447 1 106 GLU HA 1 107 LEU H 4.000 . 5.000 3.472 3.440 3.502 . 0 0 "[ . 1 . 2]" 2
448 1 106 GLU HB3 1 107 LEU H 4.000 . 5.000 3.978 3.836 4.127 . 0 0 "[ . 1 . 2]" 2
449 1 106 GLU HB2 1 107 LEU H 4.000 . 5.000 2.859 2.696 2.996 . 0 0 "[ . 1 . 2]" 2
450 1 106 GLU H 1 107 LEU H 3.500 . 4.000 2.614 2.565 2.637 . 0 0 "[ . 1 . 2]" 2
451 1 107 LEU QD 1 108 PHE HA 4.500 . 5.500 3.645 2.885 3.789 . 0 0 "[ . 1 . 2]" 2
452 1 107 LEU HG 1 108 PHE HA 5.000 . 6.000 4.021 3.681 5.689 . 0 0 "[ . 1 . 2]" 2
453 1 107 LEU HA 1 108 PHE H 4.000 . 5.000 3.559 3.542 3.570 . 0 0 "[ . 1 . 2]" 2
454 1 107 LEU HB3 1 108 PHE H 4.000 . 5.000 2.191 2.172 2.215 . 0 0 "[ . 1 . 2]" 2
455 1 107 LEU HB2 1 108 PHE H 3.500 . 4.000 3.595 3.526 3.658 . 0 0 "[ . 1 . 2]" 2
456 1 107 LEU QD 1 108 PHE H 4.500 . 5.500 3.305 3.039 3.410 . 0 0 "[ . 1 . 2]" 2
457 1 107 LEU HG 1 108 PHE H 4.000 . 5.000 3.834 3.600 4.635 . 0 0 "[ . 1 . 2]" 2
458 1 107 LEU H 1 108 PHE H 2.500 . 3.000 2.756 2.713 2.865 . 0 0 "[ . 1 . 2]" 2
459 1 107 LEU QD 1 108 PHE QD 4.500 . 5.500 2.989 2.866 3.262 . 0 0 "[ . 1 . 2]" 2
460 1 108 PHE HB2 1 109 GLU HB3 5.000 . 6.000 5.848 5.134 6.138 0.138 4 0 "[ . 1 . 2]" 2
461 1 108 PHE HB3 1 109 GLU HB3 4.000 . 5.000 5.260 4.900 5.571 0.571 12 2 "[ . - 1 + . 2]" 2
462 1 108 PHE HA 1 109 GLU H 4.000 . 5.000 3.492 3.474 3.540 . 0 0 "[ . 1 . 2]" 2
463 1 108 PHE HB2 1 109 GLU H 3.500 . 4.000 3.515 3.137 3.665 . 0 0 "[ . 1 . 2]" 2
464 1 108 PHE HB3 1 109 GLU H 3.500 . 4.000 3.124 2.641 3.597 . 0 0 "[ . 1 . 2]" 2
465 1 108 PHE QD 1 109 GLU H 4.500 . 5.500 4.638 4.231 4.772 . 0 0 "[ . 1 . 2]" 2
466 1 108 PHE H 1 109 GLU H 3.500 . 4.000 2.618 2.564 2.690 . 0 0 "[ . 1 . 2]" 2
467 1 109 GLU HA 1 110 TRP H 4.000 . 5.000 3.566 3.562 3.572 . 0 0 "[ . 1 . 2]" 2
468 1 109 GLU HB3 1 110 TRP H 3.500 . 4.000 2.267 2.227 2.403 . 0 0 "[ . 1 . 2]" 2
469 1 109 GLU HB2 1 110 TRP H 3.500 . 4.000 3.716 3.671 3.824 . 0 0 "[ . 1 . 2]" 2
470 1 109 GLU H 1 110 TRP H 4.000 . 5.000 2.763 2.692 2.943 . 0 0 "[ . 1 . 2]" 2
471 1 110 TRP HA 1 111 PHE H 4.000 . 5.000 3.555 3.532 3.572 . 0 0 "[ . 1 . 2]" 2
472 1 110 TRP HB3 1 111 PHE H 4.000 . 5.000 3.114 2.970 3.306 . 0 0 "[ . 1 . 2]" 2
473 1 110 TRP HB2 1 111 PHE H 3.500 . 4.000 2.790 2.693 2.960 . 0 0 "[ . 1 . 2]" 2
474 1 110 TRP H 1 111 PHE H 3.500 . 4.000 2.703 2.652 2.835 . 0 0 "[ . 1 . 2]" 2
475 1 111 PHE HB2 1 112 GLN QG 5.000 . 6.000 5.983 5.887 6.182 0.182 14 0 "[ . 1 . 2]" 2
476 1 111 PHE HA 1 112 GLN H 4.000 . 5.000 3.534 3.492 3.575 . 0 0 "[ . 1 . 2]" 2
477 1 111 PHE HB3 1 112 GLN H 4.000 . 5.000 3.742 3.519 3.857 . 0 0 "[ . 1 . 2]" 2
478 1 111 PHE HB2 1 112 GLN H 3.500 . 4.000 2.957 2.678 3.060 . 0 0 "[ . 1 . 2]" 2
479 1 111 PHE QD 1 112 GLN H 4.500 . 5.500 4.588 4.428 4.677 . 0 0 "[ . 1 . 2]" 2
480 1 111 PHE H 1 112 GLN H 3.500 . 4.000 2.669 2.540 2.767 . 0 0 "[ . 1 . 2]" 2
481 1 112 GLN QG 1 113 SER HA 4.000 . 5.000 4.738 3.751 5.030 0.030 15 0 "[ . 1 . 2]" 2
482 1 112 GLN HB2 1 113 SER H 3.500 . 4.000 3.849 3.788 3.906 . 0 0 "[ . 1 . 2]" 2
483 1 112 GLN HB3 1 113 SER H 3.500 . 4.000 2.732 2.604 2.880 . 0 0 "[ . 1 . 2]" 2
484 1 112 GLN QG 1 113 SER H 4.000 . 5.000 4.297 3.728 4.503 . 0 0 "[ . 1 . 2]" 2
485 1 112 GLN H 1 113 SER H 3.500 . 4.000 2.553 2.458 2.683 . 0 0 "[ . 1 . 2]" 2
486 1 113 SER HA 1 114 ILE H 4.000 . 5.000 3.569 3.554 3.583 . 0 0 "[ . 1 . 2]" 2
487 1 113 SER HB2 1 114 ILE H 4.000 . 5.000 3.418 2.402 3.890 . 0 0 "[ . 1 . 2]" 2
488 1 113 SER H 1 114 ILE H 3.500 . 4.000 2.656 2.606 2.732 . 0 0 "[ . 1 . 2]" 2
489 1 114 ILE MG 1 115 ARG HA 4.500 . 5.500 3.428 3.310 3.503 . 0 0 "[ . 1 . 2]" 2
490 1 114 ILE HA 1 115 ARG H 4.000 . 5.000 3.492 3.481 3.518 . 0 0 "[ . 1 . 2]" 2
491 1 114 ILE MD 1 115 ARG H 4.000 . 5.000 4.767 4.679 4.821 . 0 0 "[ . 1 . 2]" 2
492 1 114 ILE HG13 1 115 ARG H 4.000 . 5.000 4.326 4.263 4.418 . 0 0 "[ . 1 . 2]" 2
493 1 114 ILE HG12 1 115 ARG H 4.000 . 5.000 5.000 4.970 5.034 0.034 6 0 "[ . 1 . 2]" 2
494 1 114 ILE MG 1 115 ARG H 4.500 . 5.500 3.460 3.314 3.532 . 0 0 "[ . 1 . 2]" 2
495 1 114 ILE H 1 115 ARG H 3.500 . 4.000 2.639 2.584 2.735 . 0 0 "[ . 1 . 2]" 2
496 1 115 ARG QB 1 116 GLU HA 4.000 . 5.000 3.979 3.882 4.446 . 0 0 "[ . 1 . 2]" 2
497 1 115 ARG HA 1 116 GLU H 3.500 . 4.000 3.482 3.464 3.523 . 0 0 "[ . 1 . 2]" 2
498 1 115 ARG QB 1 116 GLU H 3.500 . 4.000 2.773 2.651 2.874 . 0 0 "[ . 1 . 2]" 2
499 1 115 ARG QD 1 116 GLU H 4.500 . 5.500 4.916 4.508 5.074 . 0 0 "[ . 1 . 2]" 2
500 1 115 ARG H 1 116 GLU H 3.500 . 4.000 2.409 2.372 2.543 . 0 0 "[ . 1 . 2]" 2
501 1 116 GLU HB2 1 117 ILE H 3.500 . 4.000 3.240 3.178 3.307 . 0 0 "[ . 1 . 2]" 2
502 1 116 GLU HG3 1 117 ILE H 4.500 . 5.500 5.040 4.683 5.509 0.009 20 0 "[ . 1 . 2]" 2
503 1 116 GLU HG2 1 117 ILE H 4.500 . 5.500 5.123 4.886 5.239 . 0 0 "[ . 1 . 2]" 2
504 1 116 GLU H 1 117 ILE H 3.500 . 4.000 2.668 2.589 2.724 . 0 0 "[ . 1 . 2]" 2
505 1 117 ILE HB 1 118 THR MG 4.000 . 5.000 2.924 2.704 3.144 . 0 0 "[ . 1 . 2]" 2
506 1 117 ILE MG 1 118 THR MG 3.500 . 4.000 3.026 2.621 3.393 . 0 0 "[ . 1 . 2]" 2
507 1 117 ILE MD 1 118 THR MG 5.000 . 6.000 4.327 4.117 4.546 . 0 0 "[ . 1 . 2]" 2
508 1 117 ILE MG 1 118 THR HA 4.000 . 5.000 3.624 3.289 3.811 . 0 0 "[ . 1 . 2]" 2
509 1 117 ILE MG 1 118 THR HB 4.500 . 5.500 5.120 3.351 5.456 . 0 0 "[ . 1 . 2]" 2
510 1 117 ILE HA 1 118 THR MG 4.500 . 5.500 4.649 4.337 4.804 . 0 0 "[ . 1 . 2]" 2
511 1 117 ILE HA 1 118 THR H 4.000 . 5.000 3.500 3.452 3.560 . 0 0 "[ . 1 . 2]" 2
512 1 117 ILE HB 1 118 THR H 3.500 . 4.000 2.915 2.663 3.163 . 0 0 "[ . 1 . 2]" 2
513 1 117 ILE MG 1 118 THR H 4.000 . 5.000 3.652 3.132 3.920 . 0 0 "[ . 1 . 2]" 2
514 1 117 ILE H 1 118 THR H 3.500 . 4.000 2.119 2.042 2.365 . 0 0 "[ . 1 . 2]" 2
515 1 117 ILE H 1 118 THR MG 4.500 . 5.500 3.917 3.456 4.172 . 0 0 "[ . 1 . 2]" 2
516 1 118 THR HA 1 119 TRP HA 5.000 . 6.000 4.691 4.383 4.805 . 0 0 "[ . 1 . 2]" 2
517 1 118 THR MG 1 119 TRP HA 5.500 . 6.500 5.335 3.727 5.686 . 0 0 "[ . 1 . 2]" 2
518 1 118 THR H 1 119 TRP H 3.000 . 3.500 2.434 2.178 2.620 . 0 0 "[ . 1 . 2]" 2
519 1 118 THR H 1 119 TRP HB2 4.000 . 5.000 4.594 3.737 5.037 0.037 5 0 "[ . 1 . 2]" 2
520 1 118 THR H 1 119 TRP HB3 4.000 . 5.000 4.570 4.056 5.345 0.345 13 0 "[ . 1 . 2]" 2
521 1 119 TRP HA 1 120 LYS HA 5.000 . 6.000 4.602 4.514 5.194 . 0 0 "[ . 1 . 2]" 2
522 1 119 TRP HB2 1 120 LYS H 4.000 . 5.000 3.943 2.801 4.414 . 0 0 "[ . 1 . 2]" 2
523 1 119 TRP HB3 1 120 LYS H 4.000 . 5.000 3.208 2.888 4.314 . 0 0 "[ . 1 . 2]" 2
524 1 119 TRP HD1 1 120 LYS H 4.000 . 5.000 4.701 4.057 5.122 0.122 13 0 "[ . 1 . 2]" 2
525 1 119 TRP H 1 120 LYS H 4.000 . 5.000 2.492 1.687 2.738 0.113 9 0 "[ . 1 . 2]" 2
526 1 120 LYS HA 1 121 ILE H 2.500 . 3.000 2.358 2.136 3.041 0.041 10 0 "[ . 1 . 2]" 2
527 1 120 LYS H 1 121 ILE H 4.000 . 5.000 4.139 2.779 4.554 . 0 0 "[ . 1 . 2]" 2
528 1 121 ILE HA 1 122 ASP HA 5.000 . 6.000 4.427 4.341 4.709 . 0 0 "[ . 1 . 2]" 2
529 1 121 ILE MG 1 122 ASP HA 4.500 . 5.500 4.086 3.442 5.578 0.078 15 0 "[ . 1 . 2]" 2
530 1 121 ILE HA 1 122 ASP H 2.500 . 3.000 2.265 2.121 3.055 0.055 13 0 "[ . 1 . 2]" 2
531 1 121 ILE MG 1 122 ASP H 3.500 . 4.000 3.154 1.743 3.898 0.057 13 0 "[ . 1 . 2]" 2
532 1 121 ILE H 1 122 ASP H 3.500 . 4.000 4.009 3.574 4.074 0.074 8 0 "[ . 1 . 2]" 2
533 1 122 ASP HA 1 123 THR HA 5.000 . 6.000 4.409 4.326 4.754 . 0 0 "[ . 1 . 2]" 2
534 1 122 ASP HA 1 123 THR H 2.500 . 3.000 2.326 2.140 3.043 0.043 16 0 "[ . 1 . 2]" 2
535 1 123 THR HA 1 124 LYS H 3.500 . 4.000 2.783 2.141 3.570 . 0 0 "[ . 1 . 2]" 2
536 1 123 THR MG 1 124 LYS H 4.500 . 5.500 3.328 2.401 4.260 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 359
_Distance_constraint_stats_list.Viol_count 757
_Distance_constraint_stats_list.Viol_total 807.210
_Distance_constraint_stats_list.Viol_max 0.968
_Distance_constraint_stats_list.Viol_rms 0.0307
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0533
_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 21 TRP 3.815 0.225 7 0 "[ . 1 . 2]"
1 22 ASP 1.090 0.314 4 0 "[ . 1 . 2]"
1 23 SER 1.405 0.225 7 0 "[ . 1 . 2]"
1 24 ILE 0.600 0.087 13 0 "[ . 1 . 2]"
1 25 ASP 1.999 0.093 11 0 "[ . 1 . 2]"
1 26 GLN 4.684 0.314 4 0 "[ . 1 . 2]"
1 27 LYS 2.926 0.093 11 0 "[ . 1 . 2]"
1 29 THR 0.215 0.071 4 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.074 0.023 10 0 "[ . 1 . 2]"
1 36 ALA 2.239 0.546 15 2 "[ . 1 + - 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 2.239 0.546 15 2 "[ . 1 + - 2]"
1 40 LEU 0.257 0.045 17 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PHE 0.182 0.045 17 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASP 0.023 0.013 7 0 "[ . 1 . 2]"
1 45 ASP 0.045 0.018 11 0 "[ . 1 . 2]"
1 46 ILE 0.185 0.047 5 0 "[ . 1 . 2]"
1 47 GLU 0.343 0.059 4 0 "[ . 1 . 2]"
1 48 GLN 0.207 0.047 5 0 "[ . 1 . 2]"
1 49 THR 0.505 0.059 4 0 "[ . 1 . 2]"
1 51 GLU 1.141 0.715 20 1 "[ . 1 . +]"
1 53 ASP 0.772 0.164 10 0 "[ . 1 . 2]"
1 54 ASN 0.979 0.715 20 1 "[ . 1 . +]"
1 55 PRO 0.772 0.164 10 0 "[ . 1 . 2]"
1 60 CYS 0.009 0.009 13 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.299 0.045 18 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.525 0.047 13 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.010 0.010 19 0 "[ . 1 . 2]"
1 68 THR 0.235 0.047 13 0 "[ . 1 . 2]"
1 69 TYR 0.010 0.010 19 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.136 0.047 4 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 1.213 0.121 16 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.138 0.035 9 0 "[ . 1 . 2]"
1 78 LYS 1.378 0.121 16 0 "[ . 1 . 2]"
1 81 LYS 0.041 0.016 19 0 "[ . 1 . 2]"
1 82 SER 0.440 0.071 2 0 "[ . 1 . 2]"
1 83 PHE 0.041 0.016 19 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 1.437 0.083 6 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 1.437 0.083 6 0 "[ . 1 . 2]"
1 89 PRO 0.158 0.039 3 0 "[ . 1 . 2]"
1 91 GLN 2.965 0.170 4 0 "[ . 1 . 2]"
1 92 GLN 1.263 0.216 12 0 "[ . 1 . 2]"
1 94 ASP 4.386 0.216 12 0 "[ . 1 . 2]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 1.806 0.089 2 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ARG 0.184 0.019 9 0 "[ . 1 . 2]"
1 104 VAL 2.133 0.865 20 2 "[ . - . +]"
1 105 GLU 1.480 0.209 7 0 "[ . 1 . 2]"
1 106 GLU 3.258 0.089 2 0 "[ . 1 . 2]"
1 107 LEU 2.321 0.112 1 0 "[ . 1 . 2]"
1 108 PHE 5.234 0.865 20 2 "[ . - . +]"
1 109 GLU 1.928 0.114 7 0 "[ . 1 . 2]"
1 110 TRP 0.693 0.071 4 0 "[ . 1 . 2]"
1 111 PHE 1.354 0.087 6 0 "[ . 1 . 2]"
1 112 GLN 4.255 0.618 13 1 "[ . 1 + . 2]"
1 113 SER 3.732 0.189 11 0 "[ . 1 . 2]"
1 114 ILE 0.201 0.066 11 0 "[ . 1 . 2]"
1 115 ARG 1.564 0.968 14 1 "[ . 1 +. 2]"
1 116 GLU 5.026 0.618 13 1 "[ . 1 + . 2]"
1 117 ILE 0.646 0.068 9 0 "[ . 1 . 2]"
1 118 THR 0.151 0.066 11 0 "[ . 1 . 2]"
1 119 TRP 1.594 0.968 14 1 "[ . 1 +. 2]"
1 120 LYS 0.169 0.055 9 0 "[ . 1 . 2]"
1 121 ILE 0.118 0.057 9 0 "[ . 1 . 2]"
1 123 THR 0.061 0.044 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 TRP HE1 1 23 SER HA 3.500 . 4.000 3.388 3.063 3.690 . 0 0 "[ . 1 . 2]" 3
2 1 21 TRP HE1 1 23 SER HB3 4.000 . 5.000 3.079 2.323 4.888 . 0 0 "[ . 1 . 2]" 3
3 1 21 TRP HE1 1 23 SER HB2 4.000 . 5.000 3.857 2.080 4.868 . 0 0 "[ . 1 . 2]" 3
4 1 21 TRP HE1 1 23 SER H 4.000 . 5.000 4.518 3.922 4.939 . 0 0 "[ . 1 . 2]" 3
5 1 21 TRP HD1 1 23 SER HB3 4.000 . 5.000 4.069 3.234 5.225 0.225 7 0 "[ . 1 . 2]" 3
6 1 21 TRP HE1 1 26 GLN HE21 4.000 . 5.000 3.953 3.616 4.141 . 0 0 "[ . 1 . 2]" 3
7 1 21 TRP HE1 1 26 GLN HE22 4.000 . 5.000 4.490 3.891 5.178 0.178 10 0 "[ . 1 . 2]" 3
8 1 21 TRP HZ2 1 26 GLN H 4.000 . 5.000 5.009 4.916 5.088 0.088 10 0 "[ . 1 . 2]" 3
9 1 21 TRP HZ3 1 26 GLN H 4.500 . 5.500 5.582 5.539 5.701 0.201 19 0 "[ . 1 . 2]" 3
10 1 21 TRP HE1 1 26 GLN HA 4.500 . 5.500 4.943 4.665 5.071 . 0 0 "[ . 1 . 2]" 3
11 1 21 TRP HE1 1 26 GLN QG 4.000 . 5.000 4.648 3.691 4.928 . 0 0 "[ . 1 . 2]" 3
12 1 21 TRP HZ2 1 26 GLN HA 4.000 . 5.000 3.141 3.097 3.178 . 0 0 "[ . 1 . 2]" 3
13 1 21 TRP HZ2 1 26 GLN HB2 4.000 . 5.000 4.871 4.495 5.173 0.173 4 0 "[ . 1 . 2]" 3
14 1 21 TRP HZ2 1 26 GLN QG 4.000 . 5.000 2.753 1.761 3.189 0.039 19 0 "[ . 1 . 2]" 3
15 1 21 TRP HZ3 1 26 GLN QG 4.500 . 5.500 5.078 4.510 5.306 . 0 0 "[ . 1 . 2]" 3
16 1 22 ASP HA 1 24 ILE H 4.000 . 5.000 3.294 3.205 3.377 . 0 0 "[ . 1 . 2]" 3
17 1 22 ASP HB3 1 24 ILE H 4.000 . 5.000 3.108 2.810 3.832 . 0 0 "[ . 1 . 2]" 3
18 1 22 ASP HB2 1 24 ILE H 4.000 . 5.000 4.214 3.881 4.562 . 0 0 "[ . 1 . 2]" 3
19 1 22 ASP HB3 1 25 ASP HB2 3.500 . 4.000 3.783 2.639 4.035 0.035 1 0 "[ . 1 . 2]" 3
20 1 22 ASP HB2 1 25 ASP H 4.000 . 5.000 3.930 3.383 4.689 . 0 0 "[ . 1 . 2]" 3
21 1 22 ASP HB2 1 26 GLN H 4.000 . 5.000 4.311 3.801 5.314 0.314 4 0 "[ . 1 . 2]" 3
22 1 22 ASP H 1 26 GLN HA 4.000 . 5.000 4.442 4.270 4.801 . 0 0 "[ . 1 . 2]" 3
23 1 22 ASP HB3 1 27 LYS QG 3.500 . 4.000 3.723 2.698 4.047 0.047 3 0 "[ . 1 . 2]" 3
24 1 22 ASP HB2 1 27 LYS QG 3.500 . 4.000 3.218 2.868 3.865 . 0 0 "[ . 1 . 2]" 3
25 1 22 ASP HA 1 27 LYS QG 5.000 . 6.000 5.626 5.368 5.743 . 0 0 "[ . 1 . 2]" 3
26 1 22 ASP HB3 1 27 LYS H 4.000 . 5.000 3.628 2.322 4.276 . 0 0 "[ . 1 . 2]" 3
27 1 22 ASP HB2 1 27 LYS H 4.000 . 5.000 3.025 2.278 4.201 . 0 0 "[ . 1 . 2]" 3
28 1 22 ASP H 1 27 LYS H 4.000 . 5.000 3.066 2.996 3.196 . 0 0 "[ . 1 . 2]" 3
29 1 22 ASP H 1 27 LYS QG 4.000 . 5.000 4.466 4.214 4.691 . 0 0 "[ . 1 . 2]" 3
30 1 23 SER HA 1 25 ASP H 4.000 . 5.000 4.457 3.937 4.982 . 0 0 "[ . 1 . 2]" 3
31 1 23 SER H 1 25 ASP H 4.000 . 5.000 4.750 4.293 5.024 0.024 8 0 "[ . 1 . 2]" 3
32 1 23 SER HA 1 26 GLN QG 4.000 . 5.000 2.822 2.174 3.879 . 0 0 "[ . 1 . 2]" 3
33 1 23 SER HA 1 26 GLN HA 4.000 . 5.000 2.953 2.343 3.283 . 0 0 "[ . 1 . 2]" 3
34 1 23 SER HA 1 26 GLN HE21 4.000 . 5.000 2.941 2.690 3.171 . 0 0 "[ . 1 . 2]" 3
35 1 23 SER HA 1 26 GLN HE22 4.000 . 5.000 3.878 2.091 4.669 . 0 0 "[ . 1 . 2]" 3
36 1 23 SER HA 1 26 GLN H 4.000 . 5.000 3.196 2.700 3.599 . 0 0 "[ . 1 . 2]" 3
37 1 23 SER HB3 1 26 GLN HE21 4.000 . 5.000 4.041 3.478 5.068 0.068 7 0 "[ . 1 . 2]" 3
38 1 23 SER HB3 1 26 GLN HE22 4.000 . 5.000 4.658 2.420 5.114 0.114 13 0 "[ . 1 . 2]" 3
39 1 23 SER HB2 1 26 GLN HE21 4.000 . 5.000 3.765 3.284 5.072 0.072 6 0 "[ . 1 . 2]" 3
40 1 23 SER HB2 1 26 GLN HE22 4.000 . 5.000 4.533 3.648 5.011 0.011 8 0 "[ . 1 . 2]" 3
41 1 23 SER HA 1 27 LYS H 4.000 . 5.000 4.526 4.061 4.784 . 0 0 "[ . 1 . 2]" 3
42 1 24 ILE HA 1 26 GLN QG 5.000 . 6.000 5.220 4.830 5.773 . 0 0 "[ . 1 . 2]" 3
43 1 24 ILE HA 1 26 GLN H 4.000 . 5.000 4.223 3.962 4.340 . 0 0 "[ . 1 . 2]" 3
44 1 24 ILE MG 1 26 GLN H 4.500 . 5.500 4.731 4.588 4.951 . 0 0 "[ . 1 . 2]" 3
45 1 24 ILE H 1 26 GLN H 4.000 . 5.000 3.144 2.899 3.275 . 0 0 "[ . 1 . 2]" 3
46 1 24 ILE H 1 26 GLN HA 4.000 . 5.000 4.637 4.406 4.774 . 0 0 "[ . 1 . 2]" 3
47 1 24 ILE H 1 27 LYS H 4.000 . 5.000 4.970 4.669 5.087 0.087 13 0 "[ . 1 . 2]" 3
48 1 25 ASP HB2 1 27 LYS QD 3.500 . 4.000 3.183 2.350 3.802 . 0 0 "[ . 1 . 2]" 3
49 1 25 ASP HB2 1 27 LYS QG 3.500 . 4.000 2.402 2.100 2.588 . 0 0 "[ . 1 . 2]" 3
50 1 25 ASP HB3 1 27 LYS QD 3.500 . 4.000 2.710 2.214 2.836 . 0 0 "[ . 1 . 2]" 3
51 1 25 ASP HB3 1 27 LYS QB 3.500 . 4.000 4.060 4.038 4.093 0.093 11 0 "[ . 1 . 2]" 3
52 1 25 ASP HB2 1 27 LYS QE 3.500 . 4.000 2.946 2.043 4.066 0.066 1 0 "[ . 1 . 2]" 3
53 1 25 ASP HB3 1 27 LYS QE 4.000 . 5.000 3.053 1.933 4.335 . 0 0 "[ . 1 . 2]" 3
54 1 25 ASP HB3 1 27 LYS QG 3.500 . 4.000 2.949 2.143 3.386 . 0 0 "[ . 1 . 2]" 3
55 1 25 ASP HA 1 27 LYS QD 4.000 . 5.000 4.927 4.402 5.072 0.072 4 0 "[ . 1 . 2]" 3
56 1 25 ASP HA 1 27 LYS QG 4.000 . 5.000 4.538 3.836 4.918 . 0 0 "[ . 1 . 2]" 3
57 1 25 ASP H 1 27 LYS H 4.000 . 5.000 4.122 3.940 4.408 . 0 0 "[ . 1 . 2]" 3
58 1 25 ASP H 1 27 LYS QG 4.000 . 5.000 3.888 3.550 4.110 . 0 0 "[ . 1 . 2]" 3
59 1 27 LYS HA 1 29 THR MG 4.500 . 5.500 5.391 5.161 5.546 0.046 7 0 "[ . 1 . 2]" 3
60 1 27 LYS QB 1 29 THR MG 4.000 . 5.000 4.065 3.752 4.378 . 0 0 "[ . 1 . 2]" 3
61 1 27 LYS QE 1 29 THR HA 5.000 . 6.000 4.817 3.644 6.071 0.071 4 0 "[ . 1 . 2]" 3
62 1 27 LYS QE 1 29 THR MG 4.000 . 5.000 2.614 1.798 4.106 0.002 16 0 "[ . 1 . 2]" 3
63 1 27 LYS QG 1 29 THR MG 3.500 . 4.000 2.456 2.238 2.700 . 0 0 "[ . 1 . 2]" 3
64 1 27 LYS QD 1 29 THR MG 3.500 . 4.000 3.467 2.421 3.932 . 0 0 "[ . 1 . 2]" 3
65 1 32 TYR QE 1 34 ALA MB 5.000 . 6.000 3.106 2.723 3.708 . 0 0 "[ . 1 . 2]" 3
66 1 35 ILE MG 1 38 ALA HA 4.500 . 5.500 3.464 3.121 3.745 . 0 0 "[ . 1 . 2]" 3
67 1 35 ILE MG 1 38 ALA MB 4.500 . 5.500 4.522 4.254 4.777 . 0 0 "[ . 1 . 2]" 3
68 1 35 ILE MG 1 38 ALA H 4.500 . 5.500 4.082 3.234 4.377 . 0 0 "[ . 1 . 2]" 3
69 1 35 ILE MG 1 39 LYS H 4.000 . 5.000 3.483 3.006 4.073 . 0 0 "[ . 1 . 2]" 3
70 1 35 ILE HA 1 40 LEU MD1 4.000 . 5.000 2.942 2.627 3.249 . 0 0 "[ . 1 . 2]" 3
71 1 35 ILE HA 1 40 LEU MD2 4.500 . 5.500 4.998 4.758 5.316 . 0 0 "[ . 1 . 2]" 3
72 1 35 ILE HG12 1 40 LEU QB 3.500 . 4.000 2.207 1.857 2.361 . 0 0 "[ . 1 . 2]" 3
73 1 35 ILE HG13 1 40 LEU QB 4.000 . 5.000 3.592 3.245 3.772 . 0 0 "[ . 1 . 2]" 3
74 1 35 ILE HG13 1 40 LEU MD1 3.500 . 4.000 2.197 1.966 2.436 . 0 0 "[ . 1 . 2]" 3
75 1 35 ILE HG13 1 40 LEU MD2 4.000 . 5.000 3.995 3.515 4.305 . 0 0 "[ . 1 . 2]" 3
76 1 35 ILE MD 1 40 LEU HA 4.500 . 5.500 4.483 4.132 4.706 . 0 0 "[ . 1 . 2]" 3
77 1 35 ILE MG 1 40 LEU HA 4.000 . 5.000 3.413 3.133 3.647 . 0 0 "[ . 1 . 2]" 3
78 1 35 ILE MG 1 40 LEU QB 4.000 . 5.000 3.410 3.226 3.583 . 0 0 "[ . 1 . 2]" 3
79 1 35 ILE HA 1 40 LEU HA 2.500 . 3.000 2.174 1.981 2.319 . 0 0 "[ . 1 . 2]" 3
80 1 35 ILE HG12 1 40 LEU HA 3.500 . 4.000 2.913 2.495 3.182 . 0 0 "[ . 1 . 2]" 3
81 1 35 ILE HG13 1 40 LEU HA 3.500 . 4.000 3.895 3.593 4.023 0.023 10 0 "[ . 1 . 2]" 3
82 1 35 ILE HA 1 40 LEU QB 4.000 . 5.000 3.502 3.164 3.863 . 0 0 "[ . 1 . 2]" 3
83 1 36 ALA MB 1 39 LYS HB3 4.000 . 5.000 5.111 5.015 5.546 0.546 15 2 "[ . 1 + - 2]" 3
84 1 36 ALA MB 1 39 LYS HB2 4.500 . 5.500 3.998 3.769 4.607 . 0 0 "[ . 1 . 2]" 3
85 1 36 ALA H 1 39 LYS H 3.500 . 4.000 3.451 2.759 4.020 0.020 8 0 "[ . 1 . 2]" 3
86 1 36 ALA H 1 39 LYS HB2 4.000 . 5.000 4.120 3.708 4.522 . 0 0 "[ . 1 . 2]" 3
87 1 36 ALA H 1 40 LEU HA 3.500 . 4.000 3.292 2.997 3.594 . 0 0 "[ . 1 . 2]" 3
88 1 36 ALA H 1 41 SER H 4.000 . 5.000 3.966 3.425 4.591 . 0 0 "[ . 1 . 2]" 3
89 1 37 ASP HB3 1 39 LYS H 4.000 . 5.000 4.125 3.074 4.770 . 0 0 "[ . 1 . 2]" 3
90 1 37 ASP HB2 1 39 LYS H 4.000 . 5.000 3.800 3.085 4.877 . 0 0 "[ . 1 . 2]" 3
91 1 39 LYS HB3 1 41 SER QB 5.000 . 6.000 5.087 4.328 5.508 . 0 0 "[ . 1 . 2]" 3
92 1 40 LEU MD2 1 42 PHE HB3 4.500 . 5.500 3.994 3.543 4.140 . 0 0 "[ . 1 . 2]" 3
93 1 40 LEU MD2 1 42 PHE HB2 4.500 . 5.500 5.424 4.943 5.545 0.045 17 0 "[ . 1 . 2]" 3
94 1 40 LEU MD2 1 42 PHE HA 4.500 . 5.500 5.301 4.909 5.519 0.019 17 0 "[ . 1 . 2]" 3
95 1 40 LEU QD 1 42 PHE H 4.500 . 5.500 4.269 3.985 4.576 . 0 0 "[ . 1 . 2]" 3
96 1 40 LEU HG 1 42 PHE H 4.000 . 5.000 4.083 3.723 4.389 . 0 0 "[ . 1 . 2]" 3
97 1 40 LEU MD2 1 42 PHE QD 4.000 . 5.000 3.853 3.186 4.261 . 0 0 "[ . 1 . 2]" 3
98 1 43 SER QB 1 46 ILE MG 4.500 . 5.500 3.893 3.041 4.530 . 0 0 "[ . 1 . 2]" 3
99 1 44 ASP H 1 46 ILE MG 4.500 . 5.500 5.011 4.480 5.513 0.013 7 0 "[ . 1 . 2]" 3
100 1 44 ASP QB 1 49 THR MG 4.500 . 5.500 4.355 3.477 5.170 . 0 0 "[ . 1 . 2]" 3
101 1 45 ASP HB2 1 48 GLN HB3 4.500 . 5.500 4.618 2.964 5.508 0.008 14 0 "[ . 1 . 2]" 3
102 1 45 ASP HB2 1 48 GLN HB2 4.500 . 5.500 4.129 3.113 5.518 0.018 11 0 "[ . 1 . 2]" 3
103 1 45 ASP HB3 1 48 GLN HB3 4.500 . 5.500 3.579 1.886 4.332 . 0 0 "[ . 1 . 2]" 3
104 1 45 ASP HB3 1 48 GLN HB2 5.000 . 6.000 2.764 1.980 4.039 . 0 0 "[ . 1 . 2]" 3
105 1 45 ASP HB3 1 48 GLN QG 4.000 . 5.000 3.918 3.275 4.542 . 0 0 "[ . 1 . 2]" 3
106 1 46 ILE HA 1 48 GLN H 4.000 . 5.000 4.979 4.810 5.047 0.047 5 0 "[ . 1 . 2]" 3
107 1 46 ILE HA 1 49 THR MG 5.000 . 6.000 3.439 2.477 4.284 . 0 0 "[ . 1 . 2]" 3
108 1 47 GLU HB3 1 49 THR MG 4.500 . 5.500 5.319 5.165 5.484 . 0 0 "[ . 1 . 2]" 3
109 1 47 GLU HG2 1 49 THR MG 4.500 . 5.500 5.429 5.239 5.559 0.059 4 0 "[ . 1 . 2]" 3
110 1 47 GLU HG3 1 49 THR MG 4.500 . 5.500 5.475 5.361 5.528 0.028 18 0 "[ . 1 . 2]" 3
111 1 49 THR MG 1 51 GLU HB2 4.500 . 5.500 4.864 4.309 5.533 0.033 17 0 "[ . 1 . 2]" 3
112 1 49 THR HA 1 51 GLU QG 4.000 . 5.000 4.227 3.764 5.021 0.021 20 0 "[ . 1 . 2]" 3
113 1 49 THR HB 1 51 GLU QG 5.000 . 6.000 3.238 1.786 5.149 0.014 14 0 "[ . 1 . 2]" 3
114 1 51 GLU HB3 1 54 ASN QB 4.000 . 5.000 3.809 3.175 4.309 . 0 0 "[ . 1 . 2]" 3
115 1 51 GLU QG 1 54 ASN QB 4.000 . 5.000 4.647 3.489 4.797 . 0 0 "[ . 1 . 2]" 3
116 1 51 GLU HB2 1 54 ASN H 4.000 . 5.000 3.599 2.570 5.715 0.715 20 1 "[ . 1 . +]" 3
117 1 51 GLU QG 1 54 ASN H 4.000 . 5.000 4.344 4.032 5.118 0.118 7 0 "[ . 1 . 2]" 3
118 1 53 ASP HA 1 55 PRO QD 4.000 . 5.000 4.411 3.179 4.702 . 0 0 "[ . 1 . 2]" 3
119 1 53 ASP H 1 55 PRO HG3 3.000 . 3.500 3.537 3.477 3.664 0.164 10 0 "[ . 1 . 2]" 3
120 1 60 CYS HA 1 62 GLY H 4.000 . 5.000 3.350 3.122 3.760 . 0 0 "[ . 1 . 2]" 3
121 1 60 CYS QB 1 62 GLY H 4.000 . 5.000 3.803 3.003 4.649 . 0 0 "[ . 1 . 2]" 3
122 1 60 CYS QB 1 63 ILE MD 5.500 . 6.500 3.436 2.509 4.217 . 0 0 "[ . 1 . 2]" 3
123 1 60 CYS HB3 1 63 ILE MD 4.500 . 5.500 4.072 2.562 5.216 . 0 0 "[ . 1 . 2]" 3
124 1 60 CYS HB2 1 63 ILE MD 4.500 . 5.500 3.817 2.754 5.509 0.009 13 0 "[ . 1 . 2]" 3
125 1 63 ILE MG 1 65 ASP HB3 5.500 . 6.500 5.066 3.742 5.757 . 0 0 "[ . 1 . 2]" 3
126 1 63 ILE MG 1 65 ASP HB2 5.500 . 6.500 5.349 4.465 5.840 . 0 0 "[ . 1 . 2]" 3
127 1 63 ILE MG 1 65 ASP HA 4.500 . 5.500 3.458 3.282 3.691 . 0 0 "[ . 1 . 2]" 3
128 1 63 ILE HB 1 65 ASP H 4.000 . 5.000 4.948 4.670 5.045 0.045 18 0 "[ . 1 . 2]" 3
129 1 63 ILE MG 1 65 ASP H 4.500 . 5.500 3.613 3.066 4.060 . 0 0 "[ . 1 . 2]" 3
130 1 64 LEU QB 1 66 LEU QD 4.000 . 5.000 2.625 2.408 3.015 . 0 0 "[ . 1 . 2]" 3
131 1 64 LEU QB 1 69 TYR QE 4.500 . 5.500 4.368 3.782 4.984 . 0 0 "[ . 1 . 2]" 3
132 1 64 LEU QB 1 69 TYR QD 4.500 . 5.500 4.400 3.812 5.240 . 0 0 "[ . 1 . 2]" 3
133 1 64 LEU MD1 1 69 TYR QD 5.000 . 6.000 3.469 2.513 3.702 . 0 0 "[ . 1 . 2]" 3
134 1 64 LEU MD1 1 69 TYR QE 5.000 . 6.000 2.630 2.330 2.845 . 0 0 "[ . 1 . 2]" 3
135 1 65 ASP HB3 1 68 THR MG 4.000 . 5.000 4.375 3.610 5.047 0.047 13 0 "[ . 1 . 2]" 3
136 1 65 ASP HB2 1 68 THR MG 4.000 . 5.000 4.005 2.524 5.014 0.014 3 0 "[ . 1 . 2]" 3
137 1 65 ASP HA 1 68 THR MG 5.500 . 6.500 6.069 5.099 6.523 0.023 17 0 "[ . 1 . 2]" 3
138 1 65 ASP HB2 1 68 THR H 4.000 . 5.000 3.754 3.178 5.047 0.047 6 0 "[ . 1 . 2]" 3
139 1 65 ASP H 1 69 TYR QD 4.500 . 5.500 4.321 3.617 4.995 . 0 0 "[ . 1 . 2]" 3
140 1 65 ASP H 1 69 TYR QE 4.500 . 5.500 3.439 2.864 3.895 . 0 0 "[ . 1 . 2]" 3
141 1 66 LEU HA 1 68 THR H 4.000 . 5.000 3.558 2.881 4.174 . 0 0 "[ . 1 . 2]" 3
142 1 66 LEU QD 1 68 THR H 4.500 . 5.500 4.879 4.251 5.300 . 0 0 "[ . 1 . 2]" 3
143 1 66 LEU H 1 68 THR H 4.000 . 5.000 3.935 3.438 4.963 . 0 0 "[ . 1 . 2]" 3
144 1 66 LEU HA 1 69 TYR HB2 4.000 . 5.000 2.928 2.343 3.181 . 0 0 "[ . 1 . 2]" 3
145 1 66 LEU HA 1 69 TYR HB3 4.000 . 5.000 4.455 3.737 4.738 . 0 0 "[ . 1 . 2]" 3
146 1 66 LEU HA 1 69 TYR H 4.000 . 5.000 4.321 3.534 4.798 . 0 0 "[ . 1 . 2]" 3
147 1 67 ASN HA 1 69 TYR H 4.000 . 5.000 4.442 3.972 4.768 . 0 0 "[ . 1 . 2]" 3
148 1 67 ASN H 1 69 TYR H 4.000 . 5.000 4.627 3.532 5.010 0.010 19 0 "[ . 1 . 2]" 3
149 1 70 ASN HB2 1 72 VAL MG2 5.500 . 6.500 4.463 4.269 4.856 . 0 0 "[ . 1 . 2]" 3
150 1 70 ASN HB2 1 72 VAL MG1 5.500 . 6.500 4.312 4.159 4.667 . 0 0 "[ . 1 . 2]" 3
151 1 70 ASN HB3 1 72 VAL MG2 5.500 . 6.500 4.492 4.260 4.726 . 0 0 "[ . 1 . 2]" 3
152 1 70 ASN HB3 1 72 VAL MG1 5.500 . 6.500 3.627 3.455 3.884 . 0 0 "[ . 1 . 2]" 3
153 1 72 VAL MG2 1 74 ALA MB 4.000 . 5.000 4.011 3.816 4.267 . 0 0 "[ . 1 . 2]" 3
154 1 72 VAL MG2 1 74 ALA HA 5.000 . 6.000 5.074 4.923 5.311 . 0 0 "[ . 1 . 2]" 3
155 1 72 VAL MG1 1 74 ALA HA 5.000 . 6.000 5.985 5.933 6.047 0.047 4 0 "[ . 1 . 2]" 3
156 1 73 LYS QG 1 75 PRO HA 5.000 . 6.000 3.983 3.716 4.691 . 0 0 "[ . 1 . 2]" 3
157 1 74 ALA MB 1 77 GLY HA3 4.500 . 5.500 4.692 4.083 5.473 . 0 0 "[ . 1 . 2]" 3
158 1 74 ALA MB 1 77 GLY HA2 4.500 . 5.500 3.348 2.631 4.362 . 0 0 "[ . 1 . 2]" 3
159 1 74 ALA MB 1 77 GLY H 4.500 . 5.500 3.636 2.863 4.549 . 0 0 "[ . 1 . 2]" 3
160 1 74 ALA MB 1 78 LYS HB3 4.000 . 5.000 4.865 4.090 5.121 0.121 16 0 "[ . 1 . 2]" 3
161 1 74 ALA MB 1 78 LYS HB2 3.500 . 4.000 3.750 3.279 4.081 0.081 18 0 "[ . 1 . 2]" 3
162 1 74 ALA MB 1 78 LYS HA 4.000 . 5.000 4.773 4.285 5.071 0.071 4 0 "[ . 1 . 2]" 3
163 1 75 PRO HA 1 77 GLY H 4.000 . 5.000 3.548 3.126 4.593 . 0 0 "[ . 1 . 2]" 3
164 1 77 GLY HA3 1 82 SER HA 3.500 . 4.000 2.877 2.486 3.268 . 0 0 "[ . 1 . 2]" 3
165 1 77 GLY HA2 1 82 SER HA 3.500 . 4.000 3.932 3.624 4.035 0.035 9 0 "[ . 1 . 2]" 3
166 1 77 GLY H 1 82 SER HA 4.000 . 5.000 3.855 3.079 5.008 0.008 8 0 "[ . 1 . 2]" 3
167 1 78 LYS H 1 81 LYS H 3.500 . 4.000 3.162 2.754 3.920 . 0 0 "[ . 1 . 2]" 3
168 1 78 LYS H 1 82 SER HA 4.000 . 5.000 4.962 4.619 5.071 0.071 2 0 "[ . 1 . 2]" 3
169 1 81 LYS HA 1 83 PHE H 4.000 . 5.000 4.351 4.029 4.817 . 0 0 "[ . 1 . 2]" 3
170 1 81 LYS HB2 1 83 PHE H 4.000 . 5.000 4.500 3.879 5.016 0.016 19 0 "[ . 1 . 2]" 3
171 1 81 LYS HB3 1 83 PHE H 4.000 . 5.000 3.073 2.565 3.646 . 0 0 "[ . 1 . 2]" 3
172 1 81 LYS HA 1 84 VAL MG2 4.500 . 5.500 4.313 4.169 4.498 . 0 0 "[ . 1 . 2]" 3
173 1 81 LYS HB2 1 84 VAL MG2 3.500 . 4.000 2.172 1.991 2.379 . 0 0 "[ . 1 . 2]" 3
174 1 81 LYS HB3 1 84 VAL MG2 4.000 . 5.000 2.389 2.085 2.763 . 0 0 "[ . 1 . 2]" 3
175 1 81 LYS HD3 1 84 VAL MG2 5.500 . 6.500 4.617 4.325 4.832 . 0 0 "[ . 1 . 2]" 3
176 1 81 LYS HG3 1 84 VAL MG2 5.500 . 6.500 2.835 2.615 3.135 . 0 0 "[ . 1 . 2]" 3
177 1 81 LYS HG2 1 84 VAL MG2 3.500 . 4.000 3.818 3.580 3.967 . 0 0 "[ . 1 . 2]" 3
178 1 81 LYS HB2 1 84 VAL MG1 4.500 . 5.500 4.406 4.128 4.640 . 0 0 "[ . 1 . 2]" 3
179 1 82 SER HA 1 84 VAL MG2 4.500 . 5.500 4.461 3.942 4.781 . 0 0 "[ . 1 . 2]" 3
180 1 84 VAL MG1 1 86 ILE HG13 3.500 . 4.000 2.675 2.561 2.885 . 0 0 "[ . 1 . 2]" 3
181 1 85 PHE QD 1 87 LEU QD 5.000 . 6.000 4.910 4.459 5.142 . 0 0 "[ . 1 . 2]" 3
182 1 86 ILE MD 1 88 GLU HG2 4.000 . 5.000 5.025 4.973 5.066 0.066 6 0 "[ . 1 . 2]" 3
183 1 86 ILE MD 1 88 GLU HG3 4.000 . 5.000 5.044 5.011 5.083 0.083 6 0 "[ . 1 . 2]" 3
184 1 86 ILE MG 1 88 GLU HB2 4.000 . 5.000 4.900 4.782 5.000 . 11 0 "[ . 1 . 2]" 3
185 1 86 ILE MG 1 88 GLU HB3 4.000 . 5.000 4.940 4.851 5.018 0.018 11 0 "[ . 1 . 2]" 3
186 1 86 ILE MG 1 88 GLU HG2 3.000 . 3.500 3.022 2.906 3.126 . 0 0 "[ . 1 . 2]" 3
187 1 86 ILE MG 1 88 GLU HG3 3.500 . 4.000 2.905 2.754 3.058 . 0 0 "[ . 1 . 2]" 3
188 1 86 ILE HB 1 88 GLU HG3 4.000 . 5.000 3.907 3.813 4.028 . 0 0 "[ . 1 . 2]" 3
189 1 86 ILE MG 1 88 GLU HA 4.500 . 5.500 3.870 3.819 3.960 . 0 0 "[ . 1 . 2]" 3
190 1 89 PRO HA 1 91 GLN H 4.000 . 5.000 3.620 3.430 3.732 . 0 0 "[ . 1 . 2]" 3
191 1 89 PRO HB2 1 94 ASP HB3 3.500 . 4.000 3.874 3.617 3.987 . 0 0 "[ . 1 . 2]" 3
192 1 89 PRO HB2 1 94 ASP HB2 3.500 . 4.000 2.390 2.118 2.525 . 0 0 "[ . 1 . 2]" 3
193 1 89 PRO QG 1 94 ASP HB3 3.500 . 4.000 3.285 2.489 3.471 . 0 0 "[ . 1 . 2]" 3
194 1 89 PRO QG 1 94 ASP HB2 3.500 . 4.000 1.951 1.796 2.144 0.004 19 0 "[ . 1 . 2]" 3
195 1 89 PRO QG 1 94 ASP HA 3.500 . 4.000 3.991 3.836 4.039 0.039 3 0 "[ . 1 . 2]" 3
196 1 91 GLN QG 1 94 ASP H 4.000 . 5.000 4.707 3.947 4.884 . 0 0 "[ . 1 . 2]" 3
197 1 91 GLN H 1 94 ASP HB3 4.500 . 5.500 5.647 5.591 5.670 0.170 4 0 "[ . 1 . 2]" 3
198 1 91 GLN H 1 94 ASP HB2 4.500 . 5.500 4.579 4.062 4.836 . 0 0 "[ . 1 . 2]" 3
199 1 91 GLN H 1 94 ASP H 4.000 . 5.000 4.670 4.229 5.034 0.034 19 0 "[ . 1 . 2]" 3
200 1 92 GLN HA 1 94 ASP H 4.000 . 5.000 4.564 3.330 5.107 0.107 2 0 "[ . 1 . 2]" 3
201 1 92 GLN QB 1 94 ASP H 3.500 . 4.000 4.005 3.431 4.216 0.216 12 0 "[ . 1 . 2]" 3
202 1 92 GLN H 1 94 ASP H 4.000 . 5.000 3.005 2.342 5.079 0.079 2 0 "[ . 1 . 2]" 3
203 1 95 PRO HG2 1 97 VAL MG2 4.000 . 5.000 4.119 3.851 4.718 . 0 0 "[ . 1 . 2]" 3
204 1 95 PRO HG3 1 97 VAL MG2 5.500 . 6.500 5.460 5.262 5.908 . 0 0 "[ . 1 . 2]" 3
205 1 97 VAL MG1 1 99 PHE QE 5.000 . 6.000 2.419 2.069 2.644 . 0 0 "[ . 1 . 2]" 3
206 1 101 THR HA 1 103 ARG H 4.000 . 5.000 4.267 4.134 4.465 . 0 0 "[ . 1 . 2]" 3
207 1 101 THR HG1 1 103 ARG H 3.500 . 4.000 3.094 2.673 3.644 . 0 0 "[ . 1 . 2]" 3
208 1 101 THR MG 1 103 ARG H 4.500 . 5.500 3.989 3.933 4.114 . 0 0 "[ . 1 . 2]" 3
209 1 101 THR HB 1 106 GLU HB3 4.000 . 5.000 3.666 3.378 3.827 . 0 0 "[ . 1 . 2]" 3
210 1 101 THR HB 1 106 GLU HB2 3.500 . 4.000 2.574 2.188 2.780 . 0 0 "[ . 1 . 2]" 3
211 1 101 THR HB 1 106 GLU HG3 4.000 . 5.000 4.248 3.923 4.387 . 0 0 "[ . 1 . 2]" 3
212 1 101 THR MG 1 106 GLU HB3 4.500 . 5.500 3.131 3.045 3.351 . 0 0 "[ . 1 . 2]" 3
213 1 101 THR MG 1 106 GLU HG3 4.500 . 5.500 4.604 4.477 4.729 . 0 0 "[ . 1 . 2]" 3
214 1 101 THR MG 1 106 GLU HB2 4.000 . 5.000 2.920 2.565 3.046 . 0 0 "[ . 1 . 2]" 3
215 1 101 THR MG 1 106 GLU HG2 4.000 . 5.000 5.042 4.985 5.082 0.082 7 0 "[ . 1 . 2]" 3
216 1 101 THR MG 1 106 GLU HA 5.500 . 6.500 4.318 4.152 4.466 . 0 0 "[ . 1 . 2]" 3
217 1 101 THR HB 1 106 GLU HA 5.000 . 6.000 5.369 5.088 5.598 . 0 0 "[ . 1 . 2]" 3
218 1 101 THR HA 1 106 GLU HB2 4.000 . 5.000 4.822 4.284 5.010 0.010 14 0 "[ . 1 . 2]" 3
219 1 101 THR HA 1 106 GLU HG3 5.000 . 6.000 6.042 6.006 6.089 0.089 2 0 "[ . 1 . 2]" 3
220 1 101 THR HB 1 106 GLU HG2 4.000 . 5.000 4.845 4.722 5.026 0.026 6 0 "[ . 1 . 2]" 3
221 1 101 THR HB 1 106 GLU H 4.000 . 5.000 4.892 4.494 5.018 0.018 12 0 "[ . 1 . 2]" 3
222 1 101 THR HG1 1 106 GLU H 4.000 . 5.000 4.858 4.634 5.007 0.007 12 0 "[ . 1 . 2]" 3
223 1 101 THR MG 1 106 GLU H 4.500 . 5.500 4.845 4.623 4.930 . 0 0 "[ . 1 . 2]" 3
224 1 102 ASP H 1 106 GLU HB3 4.000 . 5.000 4.620 4.246 4.946 . 0 0 "[ . 1 . 2]" 3
225 1 103 ARG QB 1 105 GLU H 4.000 . 4.000 2.657 2.463 2.874 . 0 0 "[ . 1 . 2]" 3
226 1 103 ARG QD 1 105 GLU H 4.000 . 5.000 4.607 4.189 5.010 0.010 7 0 "[ . 1 . 2]" 3
227 1 103 ARG QB 1 106 GLU HG3 3.500 . 4.000 2.798 1.856 3.423 . 0 0 "[ . 1 . 2]" 3
228 1 103 ARG QB 1 106 GLU HG2 4.000 . 5.000 2.314 1.944 3.616 . 0 0 "[ . 1 . 2]" 3
229 1 103 ARG QD 1 106 GLU HG3 5.000 . 6.000 3.127 2.521 5.450 . 0 0 "[ . 1 . 2]" 3
230 1 103 ARG HG3 1 106 GLU HG3 4.000 . 5.000 3.566 2.875 3.878 . 0 0 "[ . 1 . 2]" 3
231 1 103 ARG HG2 1 106 GLU HG3 4.000 . 5.000 4.921 4.240 5.019 0.019 9 0 "[ . 1 . 2]" 3
232 1 103 ARG QB 1 106 GLU H 4.000 . 5.000 2.458 2.375 2.615 . 0 0 "[ . 1 . 2]" 3
233 1 103 ARG QD 1 106 GLU H 4.000 . 5.000 4.085 3.738 5.012 0.012 14 0 "[ . 1 . 2]" 3
234 1 103 ARG H 1 106 GLU H 4.000 . 5.000 4.412 4.057 4.610 . 0 0 "[ . 1 . 2]" 3
235 1 103 ARG H 1 106 GLU HB3 4.000 . 5.000 4.777 4.455 4.984 . 0 0 "[ . 1 . 2]" 3
236 1 103 ARG H 1 106 GLU HB2 4.000 . 5.000 3.175 2.908 3.376 . 0 0 "[ . 1 . 2]" 3
237 1 104 VAL HA 1 106 GLU H 4.000 . 5.000 4.749 4.601 4.858 . 0 0 "[ . 1 . 2]" 3
238 1 104 VAL QG 1 106 GLU H 5.000 . 6.000 4.465 4.264 4.942 . 0 0 "[ . 1 . 2]" 3
239 1 104 VAL H 1 106 GLU H 4.000 . 5.000 4.297 4.071 4.491 . 0 0 "[ . 1 . 2]" 3
240 1 104 VAL HA 1 107 LEU HB3 3.500 . 4.000 2.757 2.618 2.887 . 0 0 "[ . 1 . 2]" 3
241 1 104 VAL HA 1 107 LEU HB2 3.500 . 4.000 3.002 2.669 3.252 . 0 0 "[ . 1 . 2]" 3
242 1 104 VAL HA 1 107 LEU QD 3.500 . 4.000 3.124 2.830 3.807 . 0 0 "[ . 1 . 2]" 3
243 1 104 VAL MG2 1 107 LEU HB3 4.500 . 5.500 4.294 3.270 5.083 . 0 0 "[ . 1 . 2]" 3
244 1 104 VAL MG2 1 107 LEU HB2 4.500 . 5.500 4.835 4.151 5.612 0.112 1 0 "[ . 1 . 2]" 3
245 1 104 VAL MG2 1 107 LEU QD 4.000 . 5.000 3.882 2.844 4.958 . 0 0 "[ . 1 . 2]" 3
246 1 104 VAL HA 1 107 LEU HG 5.000 . 6.000 5.120 3.668 5.350 . 0 0 "[ . 1 . 2]" 3
247 1 104 VAL HA 1 107 LEU H 4.000 . 5.000 3.541 3.443 3.604 . 0 0 "[ . 1 . 2]" 3
248 1 104 VAL QG 1 107 LEU H 5.000 . 6.000 4.346 4.120 4.580 . 0 0 "[ . 1 . 2]" 3
249 1 104 VAL QG 1 108 PHE HB2 5.500 . 6.500 3.938 3.278 4.896 . 0 0 "[ . 1 . 2]" 3
250 1 104 VAL QG 1 108 PHE HB3 5.500 . 6.500 5.117 4.632 5.886 . 0 0 "[ . 1 . 2]" 3
251 1 104 VAL HA 1 108 PHE H 4.000 . 5.000 4.177 4.001 4.320 . 0 0 "[ . 1 . 2]" 3
252 1 104 VAL QG 1 108 PHE H 5.000 . 6.000 4.127 3.688 4.835 . 0 0 "[ . 1 . 2]" 3
253 1 104 VAL MG2 1 108 PHE QD 5.000 . 6.000 5.027 3.314 6.865 0.865 20 2 "[ . - . +]" 3
254 1 105 GLU H 1 107 LEU H 4.000 . 5.000 3.782 3.661 3.956 . 0 0 "[ . 1 . 2]" 3
255 1 105 GLU HA 1 108 PHE HB2 3.500 . 4.000 3.555 2.764 4.045 0.045 20 0 "[ . 1 . 2]" 3
256 1 105 GLU HA 1 108 PHE HB3 3.500 . 4.000 4.070 4.029 4.209 0.209 7 0 "[ . 1 . 2]" 3
257 1 105 GLU HA 1 108 PHE H 4.000 . 5.000 3.610 3.477 3.697 . 0 0 "[ . 1 . 2]" 3
258 1 106 GLU H 1 108 PHE H 4.000 . 5.000 4.595 4.432 4.696 . 0 0 "[ . 1 . 2]" 3
259 1 106 GLU HA 1 109 GLU HB3 3.000 . 3.500 2.447 2.183 2.560 . 0 0 "[ . 1 . 2]" 3
260 1 106 GLU HA 1 109 GLU HB2 3.000 . 3.500 3.501 3.414 3.548 0.048 20 0 "[ . 1 . 2]" 3
261 1 106 GLU HA 1 109 GLU HG2 3.500 . 4.000 4.049 4.024 4.086 0.086 7 0 "[ . 1 . 2]" 3
262 1 106 GLU HA 1 109 GLU HG3 4.000 . 5.000 4.740 4.626 5.031 0.031 7 0 "[ . 1 . 2]" 3
263 1 106 GLU HA 1 109 GLU H 4.000 . 5.000 3.516 3.401 3.628 . 0 0 "[ . 1 . 2]" 3
264 1 106 GLU H 1 109 GLU H 4.000 . 5.000 4.763 4.607 4.886 . 0 0 "[ . 1 . 2]" 3
265 1 106 GLU H 1 109 GLU HB2 4.500 . 5.500 5.286 5.201 5.427 . 0 0 "[ . 1 . 2]" 3
266 1 106 GLU HA 1 110 TRP H 3.500 . 4.000 3.596 3.143 3.771 . 0 0 "[ . 1 . 2]" 3
267 1 106 GLU HB3 1 110 TRP HE1 4.000 . 5.000 4.602 4.122 4.940 . 0 0 "[ . 1 . 2]" 3
268 1 106 GLU HB3 1 110 TRP HD1 4.500 . 5.500 2.943 2.264 3.217 . 0 0 "[ . 1 . 2]" 3
269 1 107 LEU H 1 109 GLU H 4.000 . 5.000 3.811 3.726 4.046 . 0 0 "[ . 1 . 2]" 3
270 1 107 LEU HA 1 110 TRP HB3 4.000 . 5.000 5.033 4.994 5.071 0.071 4 0 "[ . 1 . 2]" 3
271 1 107 LEU HA 1 110 TRP HB2 3.500 . 4.000 3.786 3.723 3.921 . 0 0 "[ . 1 . 2]" 3
272 1 107 LEU QD 1 110 TRP HB3 5.500 . 6.500 5.860 5.074 5.986 . 0 0 "[ . 1 . 2]" 3
273 1 107 LEU HA 1 110 TRP H 4.000 . 5.000 4.116 4.019 4.413 . 0 0 "[ . 1 . 2]" 3
274 1 107 LEU QD 1 111 PHE HB2 5.000 . 6.000 3.879 3.344 4.175 . 0 0 "[ . 1 . 2]" 3
275 1 107 LEU QD 1 111 PHE HB3 4.000 . 5.000 4.531 4.295 4.840 . 0 0 "[ . 1 . 2]" 3
276 1 107 LEU HA 1 111 PHE H 4.000 . 5.000 3.767 3.603 4.211 . 0 0 "[ . 1 . 2]" 3
277 1 107 LEU QD 1 111 PHE H 4.500 . 5.500 4.697 4.015 4.927 . 0 0 "[ . 1 . 2]" 3
278 1 107 LEU QD 1 111 PHE QD 4.000 . 5.000 2.450 1.948 2.611 . 0 0 "[ . 1 . 2]" 3
279 1 107 LEU QD 1 111 PHE QE 4.500 . 5.500 1.736 1.713 1.838 0.087 6 0 "[ . 1 . 2]" 3
280 1 108 PHE H 1 110 TRP H 4.000 . 5.000 4.687 4.547 4.740 . 0 0 "[ . 1 . 2]" 3
281 1 108 PHE HA 1 111 PHE HB3 4.000 . 5.000 4.701 4.136 4.936 . 0 0 "[ . 1 . 2]" 3
282 1 108 PHE HA 1 111 PHE HB2 3.500 . 4.000 3.273 2.730 3.464 . 0 0 "[ . 1 . 2]" 3
283 1 108 PHE HA 1 111 PHE H 4.000 . 5.000 4.080 3.650 4.265 . 0 0 "[ . 1 . 2]" 3
284 1 108 PHE H 1 111 PHE QD 4.500 . 5.500 4.578 4.456 4.916 . 0 0 "[ . 1 . 2]" 3
285 1 108 PHE H 1 111 PHE H 4.000 . 5.000 4.959 4.809 5.012 0.012 20 0 "[ . 1 . 2]" 3
286 1 108 PHE HA 1 112 GLN QG 5.000 . 6.000 4.975 4.804 5.295 . 0 0 "[ . 1 . 2]" 3
287 1 108 PHE HB2 1 112 GLN HB2 4.500 . 5.500 5.344 5.192 5.523 0.023 12 0 "[ . 1 . 2]" 3
288 1 108 PHE HB3 1 112 GLN HB2 4.500 . 5.500 4.275 3.859 4.363 . 0 0 "[ . 1 . 2]" 3
289 1 108 PHE HB3 1 112 GLN QG 4.000 . 5.000 5.092 4.911 5.165 0.165 7 0 "[ . 1 . 2]" 3
290 1 108 PHE HA 1 112 GLN H 4.000 . 5.000 3.465 3.150 3.767 . 0 0 "[ . 1 . 2]" 3
291 1 108 PHE QD 1 112 GLN QG 4.500 . 5.500 3.503 3.234 4.466 . 0 0 "[ . 1 . 2]" 3
292 1 109 GLU HA 1 111 PHE H 4.000 . 5.000 4.900 4.630 4.995 . 0 0 "[ . 1 . 2]" 3
293 1 109 GLU H 1 111 PHE H 4.000 . 5.000 4.116 3.929 4.400 . 0 0 "[ . 1 . 2]" 3
294 1 109 GLU HA 1 112 GLN QG 4.000 . 5.000 4.938 4.418 5.114 0.114 7 0 "[ . 1 . 2]" 3
295 1 109 GLU HA 1 112 GLN HB3 3.000 . 3.500 3.468 3.045 3.550 0.050 13 0 "[ . 1 . 2]" 3
296 1 109 GLU HA 1 112 GLN H 4.000 . 5.000 4.078 3.828 4.335 . 0 0 "[ . 1 . 2]" 3
297 1 110 TRP H 1 113 SER H 4.000 . 5.000 4.878 4.804 5.032 0.032 20 0 "[ . 1 . 2]" 3
298 1 110 TRP HA 1 114 ILE MD 4.500 . 5.500 4.864 4.703 5.056 . 0 0 "[ . 1 . 2]" 3
299 1 110 TRP HB3 1 114 ILE MD 5.500 . 6.500 3.593 3.427 3.863 . 0 0 "[ . 1 . 2]" 3
300 1 110 TRP HB2 1 114 ILE MD 4.500 . 5.500 4.978 4.793 5.295 . 0 0 "[ . 1 . 2]" 3
301 1 110 TRP HE3 1 114 ILE MD 4.500 . 5.500 3.201 2.855 3.575 . 0 0 "[ . 1 . 2]" 3
302 1 111 PHE H 1 113 SER H 4.000 . 5.000 4.109 3.921 4.229 . 0 0 "[ . 1 . 2]" 3
303 1 111 PHE HA 1 114 ILE HB 4.000 . 5.000 2.634 2.451 2.798 . 0 0 "[ . 1 . 2]" 3
304 1 111 PHE HA 1 114 ILE MD 5.500 . 6.500 2.652 2.491 2.835 . 0 0 "[ . 1 . 2]" 3
305 1 111 PHE HB2 1 114 ILE MD 5.500 . 6.500 5.096 4.936 5.247 . 0 0 "[ . 1 . 2]" 3
306 1 111 PHE HA 1 114 ILE MG 4.500 . 5.500 4.051 3.854 4.197 . 0 0 "[ . 1 . 2]" 3
307 1 111 PHE HA 1 114 ILE H 4.000 . 5.000 3.225 3.107 3.365 . 0 0 "[ . 1 . 2]" 3
308 1 111 PHE QE 1 114 ILE MD 4.500 . 5.500 2.965 2.742 3.273 . 0 0 "[ . 1 . 2]" 3
309 1 111 PHE HA 1 115 ARG H 4.000 . 5.000 4.113 3.940 4.194 . 0 0 "[ . 1 . 2]" 3
310 1 111 PHE QD 1 115 ARG H 4.500 . 5.500 5.365 5.112 5.504 0.004 14 0 "[ . 1 . 2]" 3
311 1 112 GLN HA 1 115 ARG QB 3.500 . 4.000 2.507 2.466 2.585 . 0 0 "[ . 1 . 2]" 3
312 1 112 GLN QG 1 115 ARG QB 5.000 . 6.000 3.699 3.451 4.170 . 0 0 "[ . 1 . 2]" 3
313 1 112 GLN HA 1 115 ARG HA 4.500 . 5.500 5.364 5.233 5.534 0.034 12 0 "[ . 1 . 2]" 3
314 1 112 GLN HA 1 115 ARG HD3 4.000 . 5.000 4.184 3.190 4.573 . 0 0 "[ . 1 . 2]" 3
315 1 112 GLN HA 1 115 ARG HD2 4.000 . 5.000 3.117 2.523 4.738 . 0 0 "[ . 1 . 2]" 3
316 1 112 GLN HA 1 115 ARG QG 3.500 . 4.000 3.519 2.952 4.093 0.093 12 0 "[ . 1 . 2]" 3
317 1 112 GLN HA 1 115 ARG H 4.000 . 5.000 3.449 3.334 3.635 . 0 0 "[ . 1 . 2]" 3
318 1 112 GLN HA 1 116 GLU H 4.000 . 5.000 4.225 4.081 4.312 . 0 0 "[ . 1 . 2]" 3
319 1 112 GLN HE22 1 116 GLU HG2 4.000 . 5.000 3.301 1.982 5.618 0.618 13 1 "[ . 1 + . 2]" 3
320 1 113 SER H 1 115 ARG H 4.000 . 5.000 3.880 3.840 3.926 . 0 0 "[ . 1 . 2]" 3
321 1 113 SER HA 1 116 GLU HB3 3.000 . 3.500 3.644 3.601 3.689 0.189 11 0 "[ . 1 . 2]" 3
322 1 113 SER HA 1 116 GLU HB2 3.000 . 3.500 2.116 2.044 2.185 . 0 0 "[ . 1 . 2]" 3
323 1 113 SER HA 1 116 GLU HG3 3.000 . 3.500 2.769 2.555 3.310 . 0 0 "[ . 1 . 2]" 3
324 1 113 SER HA 1 116 GLU HG2 3.500 . 4.000 3.761 2.987 4.108 0.108 13 0 "[ . 1 . 2]" 3
325 1 113 SER HA 1 116 GLU H 3.500 . 4.000 2.998 2.924 3.128 . 0 0 "[ . 1 . 2]" 3
326 1 113 SER HA 1 117 ILE MD 4.000 . 5.000 4.783 3.749 5.068 0.068 9 0 "[ . 1 . 2]" 3
327 1 114 ILE HA 1 116 GLU H 4.000 . 5.000 4.224 4.110 4.441 . 0 0 "[ . 1 . 2]" 3
328 1 114 ILE H 1 116 GLU HB2 4.000 . 5.000 4.731 4.656 4.810 . 0 0 "[ . 1 . 2]" 3
329 1 114 ILE HA 1 117 ILE QG 4.000 . 5.000 4.075 3.437 4.745 . 0 0 "[ . 1 . 2]" 3
330 1 114 ILE HA 1 117 ILE HB 3.500 . 4.000 3.687 3.192 4.046 0.046 9 0 "[ . 1 . 2]" 3
331 1 114 ILE HA 1 117 ILE MD 3.000 . 3.500 3.127 2.608 3.519 0.019 4 0 "[ . 1 . 2]" 3
332 1 114 ILE HA 1 117 ILE H 4.000 . 5.000 3.848 3.656 4.044 . 0 0 "[ . 1 . 2]" 3
333 1 114 ILE MG 1 118 THR MG 3.500 . 4.000 3.022 2.580 3.585 . 0 0 "[ . 1 . 2]" 3
334 1 114 ILE MG 1 118 THR HB 4.500 . 5.500 4.782 4.460 5.421 . 0 0 "[ . 1 . 2]" 3
335 1 114 ILE HA 1 118 THR MG 4.500 . 5.500 4.337 3.874 5.009 . 0 0 "[ . 1 . 2]" 3
336 1 114 ILE HA 1 118 THR H 4.000 . 5.000 4.697 4.479 5.066 0.066 11 0 "[ . 1 . 2]" 3
337 1 115 ARG H 1 117 ILE H 4.000 . 5.000 4.004 3.786 4.169 . 0 0 "[ . 1 . 2]" 3
338 1 115 ARG HA 1 118 THR MG 4.000 . 5.000 3.958 2.290 4.359 . 0 0 "[ . 1 . 2]" 3
339 1 115 ARG HA 1 118 THR H 3.500 . 4.000 2.973 2.772 3.166 . 0 0 "[ . 1 . 2]" 3
340 1 115 ARG QB 1 118 THR H 4.000 . 5.000 4.585 4.316 4.729 . 0 0 "[ . 1 . 2]" 3
341 1 115 ARG HA 1 119 TRP HB2 4.000 . 5.000 3.057 2.766 3.627 . 0 0 "[ . 1 . 2]" 3
342 1 115 ARG HA 1 119 TRP HB3 4.000 . 5.000 3.329 2.653 5.081 0.081 12 0 "[ . 1 . 2]" 3
343 1 115 ARG HD2 1 119 TRP HB3 5.000 . 6.000 4.768 4.044 5.936 . 0 0 "[ . 1 . 2]" 3
344 1 115 ARG QG 1 119 TRP HB2 4.000 . 5.000 2.739 1.784 3.842 0.016 13 0 "[ . 1 . 2]" 3
345 1 115 ARG QG 1 119 TRP HB3 4.000 . 5.000 3.417 2.843 4.891 . 0 0 "[ . 1 . 2]" 3
346 1 115 ARG HD3 1 119 TRP HB2 5.000 . 6.000 3.781 3.153 4.808 . 0 0 "[ . 1 . 2]" 3
347 1 115 ARG HD2 1 119 TRP HB2 4.000 . 5.000 4.696 4.169 5.968 0.968 14 1 "[ . 1 +. 2]" 3
348 1 115 ARG QG 1 119 TRP HA 5.000 . 6.000 4.934 4.258 5.925 . 0 0 "[ . 1 . 2]" 3
349 1 115 ARG HA 1 119 TRP H 3.500 . 4.000 2.652 2.006 4.014 0.014 18 0 "[ . 1 . 2]" 3
350 1 115 ARG QB 1 119 TRP HE1 4.000 . 5.000 4.843 4.500 4.919 . 0 0 "[ . 1 . 2]" 3
351 1 116 GLU H 1 118 THR H 4.000 . 5.000 4.129 4.015 4.431 . 0 0 "[ . 1 . 2]" 3
352 1 116 GLU HA 1 119 TRP HB2 5.000 . 6.000 5.474 3.746 6.049 0.049 4 0 "[ . 1 . 2]" 3
353 1 116 GLU HA 1 119 TRP HB3 4.000 . 5.000 4.420 3.768 4.945 . 0 0 "[ . 1 . 2]" 3
354 1 117 ILE H 1 119 TRP H 4.000 . 5.000 3.912 3.571 4.216 . 0 0 "[ . 1 . 2]" 3
355 1 117 ILE HA 1 120 LYS H 4.000 . 5.000 4.388 4.033 4.672 . 0 0 "[ . 1 . 2]" 3
356 1 117 ILE MG 1 120 LYS H 4.500 . 5.500 5.440 5.301 5.555 0.055 9 0 "[ . 1 . 2]" 3
357 1 118 THR HA 1 120 LYS H 4.000 . 5.000 4.113 3.824 4.930 . 0 0 "[ . 1 . 2]" 3
358 1 118 THR HA 1 121 ILE MD 5.500 . 6.500 4.509 2.301 6.557 0.057 9 0 "[ . 1 . 2]" 3
359 1 121 ILE MG 1 123 THR HB 5.500 . 6.500 5.328 3.102 6.544 0.044 15 0 "[ . 1 . 2]" 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 728
_Distance_constraint_stats_list.Viol_count 1568
_Distance_constraint_stats_list.Viol_total 1925.327
_Distance_constraint_stats_list.Viol_max 0.835
_Distance_constraint_stats_list.Viol_rms 0.0360
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0614
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 LYS 0.136 0.030 19 0 "[ . 1 . 2]"
1 14 GLN 2.212 0.568 4 1 "[ +. 1 . 2]"
1 15 GLN 1.031 0.220 16 0 "[ . 1 . 2]"
1 16 GLY 2.307 0.785 14 1 "[ . 1 +. 2]"
1 17 GLU 0.227 0.024 2 0 "[ . 1 . 2]"
1 18 LEU 0.664 0.052 3 0 "[ . 1 . 2]"
1 19 TYR 1.775 0.123 5 0 "[ . 1 . 2]"
1 20 MET 9.267 0.366 12 0 "[ . 1 . 2]"
1 21 TRP 1.210 0.078 11 0 "[ . 1 . 2]"
1 22 ASP 0.007 0.007 6 0 "[ . 1 . 2]"
1 27 LYS 0.806 0.078 11 0 "[ . 1 . 2]"
1 28 TRP 4.768 0.160 5 0 "[ . 1 . 2]"
1 29 THR 1.471 0.105 7 0 "[ . 1 . 2]"
1 30 ARG 0.288 0.044 5 0 "[ . 1 . 2]"
1 31 HIS 2.812 0.618 12 1 "[ . 1 + . 2]"
1 32 TYR 0.404 0.027 4 0 "[ . 1 . 2]"
1 33 CYS 1.391 0.785 14 1 "[ . 1 +. 2]"
1 34 ALA 2.678 0.531 17 2 "[ - . 1 . + 2]"
1 35 ILE 0.461 0.062 6 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.701 0.079 15 0 "[ . 1 . 2]"
1 39 LYS 3.303 0.266 11 0 "[ . 1 . 2]"
1 40 LEU 1.443 0.079 11 0 "[ . 1 . 2]"
1 41 SER 0.183 0.037 11 0 "[ . 1 . 2]"
1 42 PHE 3.674 0.618 12 1 "[ . 1 + . 2]"
1 43 SER 2.717 0.816 10 3 "[ * . + . - 2]"
1 44 ASP 4.500 0.677 14 2 "[ .- 1 +. 2]"
1 45 ASP 1.001 0.105 7 0 "[ . 1 . 2]"
1 46 ILE 0.418 0.044 5 0 "[ . 1 . 2]"
1 47 GLU 0.176 0.032 3 0 "[ . 1 . 2]"
1 49 THR 0.134 0.054 18 0 "[ . 1 . 2]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLY 0.134 0.054 18 0 "[ . 1 . 2]"
1 59 LEU 5.098 0.816 10 3 "[ - . + . * 2]"
1 60 CYS 0.090 0.025 19 0 "[ . 1 . 2]"
1 61 ARG 3.517 0.677 14 2 "[ .- 1 +. 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 2.755 0.266 11 0 "[ . 1 . 2]"
1 64 LEU 1.372 0.079 11 0 "[ . 1 . 2]"
1 65 ASP 1.843 0.150 9 0 "[ . 1 . 2]"
1 66 LEU 1.067 0.114 9 0 "[ . 1 . 2]"
1 67 ASN 0.758 0.079 15 0 "[ . 1 . 2]"
1 68 THR 5.351 0.835 6 3 "[ .+ * 1 . -]"
1 69 TYR 7.065 0.196 8 0 "[ . 1 . 2]"
1 70 ASN 1.854 0.070 14 0 "[ . 1 . 2]"
1 71 VAL 1.724 0.131 12 0 "[ . 1 . 2]"
1 72 VAL 3.572 0.128 5 0 "[ . 1 . 2]"
1 73 LYS 1.784 0.103 17 0 "[ . 1 . 2]"
1 74 ALA 1.244 0.138 14 0 "[ . 1 . 2]"
1 75 PRO 2.624 0.302 15 0 "[ . 1 . 2]"
1 77 GLY 0.284 0.196 2 0 "[ . 1 . 2]"
1 78 LYS 2.521 0.377 17 0 "[ . 1 . 2]"
1 79 ASN 0.560 0.059 5 0 "[ . 1 . 2]"
1 80 GLN 0.534 0.061 8 0 "[ . 1 . 2]"
1 81 LYS 1.734 0.160 5 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 10.678 0.589 19 2 "[ . 1 -. +2]"
1 84 VAL 4.280 0.377 17 0 "[ . 1 . 2]"
1 85 PHE 5.093 0.207 5 0 "[ . 1 . 2]"
1 86 ILE 6.739 0.302 15 0 "[ . 1 . 2]"
1 87 LEU 4.483 0.131 12 0 "[ . 1 . 2]"
1 88 GLU 5.047 0.147 12 0 "[ . 1 . 2]"
1 89 PRO 5.187 0.525 18 1 "[ . 1 . + 2]"
1 90 LYS 6.030 0.835 6 3 "[ .+ * 1 . -]"
1 91 GLN 2.834 0.196 8 0 "[ . 1 . 2]"
1 96 PRO 5.630 0.525 18 1 "[ . 1 . + 2]"
1 97 VAL 1.458 0.099 13 0 "[ . 1 . 2]"
1 98 GLU 3.920 0.145 6 0 "[ . 1 . 2]"
1 99 PHE 4.577 0.366 12 0 "[ . 1 . 2]"
1 100 ALA 2.172 0.117 8 0 "[ . 1 . 2]"
1 101 THR 0.829 0.058 5 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ARG 0.873 0.055 11 0 "[ . 1 . 2]"
1 104 VAL 3.765 0.589 19 2 "[ . 1 -. +2]"
1 107 LEU 5.561 0.472 6 0 "[ . 1 . 2]"
1 108 PHE 0.032 0.011 14 0 "[ . 1 . 2]"
1 109 GLU 0.930 0.568 4 1 "[ +. 1 . 2]"
1 110 TRP 2.633 0.064 6 0 "[ . 1 . 2]"
1 111 PHE 3.758 0.207 5 0 "[ . 1 . 2]"
1 112 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 0.633 0.363 1 0 "[ . 1 . 2]"
1 114 ILE 4.748 0.186 13 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ILE 0.894 0.114 9 0 "[ . 1 . 2]"
1 118 THR 0.095 0.057 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 LYS QE 1 34 ALA MB 5.500 . 6.500 5.797 3.857 6.530 0.030 19 0 "[ . 1 . 2]" 4
2 1 13 LYS QE 1 36 ALA MB 4.500 . 5.500 4.136 2.853 5.412 . 0 0 "[ . 1 . 2]" 4
3 1 13 LYS QD 1 36 ALA HA 4.000 . 5.000 3.444 2.298 4.799 . 0 0 "[ . 1 . 2]" 4
4 1 14 GLN HB3 1 35 ILE HB 3.500 . 4.000 3.534 2.971 4.062 0.062 6 0 "[ . 1 . 2]" 4
5 1 14 GLN HB3 1 35 ILE MG 4.000 . 5.000 4.446 3.824 5.022 0.022 16 0 "[ . 1 . 2]" 4
6 1 14 GLN HG2 1 35 ILE MD 4.500 . 5.500 3.344 2.642 4.697 . 0 0 "[ . 1 . 2]" 4
7 1 14 GLN HG3 1 35 ILE MD 4.000 . 5.000 3.113 2.763 3.614 . 0 0 "[ . 1 . 2]" 4
8 1 14 GLN HA 1 35 ILE MD 4.500 . 5.500 4.701 4.391 5.252 . 0 0 "[ . 1 . 2]" 4
9 1 14 GLN H 1 35 ILE MG 4.500 . 5.500 3.903 3.147 4.470 . 0 0 "[ . 1 . 2]" 4
10 1 14 GLN HE22 1 109 GLU HB3 4.000 . 5.000 4.192 3.869 4.518 . 0 0 "[ . 1 . 2]" 4
11 1 14 GLN HE22 1 109 GLU HB2 4.000 . 5.000 4.921 4.632 5.568 0.568 4 1 "[ +. 1 . 2]" 4
12 1 14 GLN HE22 1 109 GLU HG2 4.000 . 5.000 2.679 1.904 3.923 . 0 0 "[ . 1 . 2]" 4
13 1 14 GLN HE22 1 109 GLU HG3 4.000 . 5.000 2.529 1.793 3.802 0.007 8 0 "[ . 1 . 2]" 4
14 1 14 GLN HG2 1 110 TRP HA 4.000 . 5.000 3.985 2.774 5.064 0.064 6 0 "[ . 1 . 2]" 4
15 1 14 GLN HG3 1 110 TRP HA 4.000 . 5.000 3.842 3.302 4.677 . 0 0 "[ . 1 . 2]" 4
16 1 14 GLN HE21 1 110 TRP HE1 4.000 . 5.000 4.210 3.004 5.018 0.018 17 0 "[ . 1 . 2]" 4
17 1 14 GLN HE22 1 110 TRP HE1 4.000 . 5.000 3.999 2.975 4.995 . 0 0 "[ . 1 . 2]" 4
18 1 14 GLN HE22 1 110 TRP HA 4.000 . 5.000 4.116 2.934 4.963 . 0 0 "[ . 1 . 2]" 4
19 1 14 GLN HG3 1 113 SER HB3 4.000 . 5.000 3.842 2.288 5.023 0.023 15 0 "[ . 1 . 2]" 4
20 1 14 GLN HG2 1 113 SER HB2 4.000 . 5.000 3.529 2.829 4.639 . 0 0 "[ . 1 . 2]" 4
21 1 14 GLN HG3 1 113 SER HB2 4.000 . 5.000 3.863 2.414 5.034 0.034 1 0 "[ . 1 . 2]" 4
22 1 14 GLN HB3 1 113 SER HB3 4.000 . 5.000 4.176 3.331 4.720 . 0 0 "[ . 1 . 2]" 4
23 1 14 GLN HB2 1 113 SER HB3 4.000 . 5.000 4.220 3.542 5.363 0.363 1 0 "[ . 1 . 2]" 4
24 1 14 GLN HB2 1 113 SER HB2 5.000 . 6.000 4.205 3.243 4.888 . 0 0 "[ . 1 . 2]" 4
25 1 15 GLN QB 1 32 TYR QE 4.500 . 5.500 4.349 3.313 4.952 . 0 0 "[ . 1 . 2]" 4
26 1 15 GLN HA 1 34 ALA MB 4.000 . 5.000 3.391 3.155 3.751 . 0 0 "[ . 1 . 2]" 4
27 1 15 GLN QB 1 34 ALA MB 3.500 . 4.000 2.681 2.134 2.824 . 0 0 "[ . 1 . 2]" 4
28 1 15 GLN HG2 1 34 ALA MB 3.500 . 4.000 2.627 1.917 4.011 0.011 9 0 "[ . 1 . 2]" 4
29 1 15 GLN HG3 1 34 ALA HA 4.000 . 5.000 3.462 2.447 4.675 . 0 0 "[ . 1 . 2]" 4
30 1 15 GLN HG3 1 34 ALA MB 4.000 . 5.000 3.160 1.838 4.408 . 0 0 "[ . 1 . 2]" 4
31 1 15 GLN HA 1 34 ALA HA 3.000 . 3.500 2.140 1.915 2.334 . 0 0 "[ . 1 . 2]" 4
32 1 15 GLN QB 1 34 ALA HA . . 3.500 2.895 1.798 3.237 0.002 9 0 "[ . 1 . 2]" 4
33 1 15 GLN HG2 1 34 ALA HA 3.500 . 4.000 2.904 1.974 4.220 0.220 16 0 "[ . 1 . 2]" 4
34 1 15 GLN HA 1 35 ILE MD 5.500 . 6.500 5.062 4.515 5.410 . 0 0 "[ . 1 . 2]" 4
35 1 15 GLN HA 1 35 ILE H 4.000 . 5.000 3.084 2.772 3.250 . 0 0 "[ . 1 . 2]" 4
36 1 15 GLN HA 1 110 TRP HZ3 4.000 . 5.000 4.458 4.134 4.700 . 0 0 "[ . 1 . 2]" 4
37 1 16 GLY H 1 32 TYR QD 4.500 . 5.500 5.103 4.752 5.388 . 0 0 "[ . 1 . 2]" 4
38 1 16 GLY H 1 32 TYR QE 4.500 . 5.500 4.762 4.388 5.139 . 0 0 "[ . 1 . 2]" 4
39 1 16 GLY HA3 1 32 TYR QE 4.500 . 5.500 5.299 4.843 5.513 0.013 7 0 "[ . 1 . 2]" 4
40 1 16 GLY HA2 1 32 TYR QE 4.500 . 5.500 3.716 3.204 4.040 . 0 0 "[ . 1 . 2]" 4
41 1 16 GLY H 1 33 CYS HB3 4.000 . 5.000 4.605 4.039 5.785 0.785 14 1 "[ . 1 +. 2]" 4
42 1 16 GLY H 1 34 ALA HA 4.000 . 5.000 3.237 3.008 3.383 . 0 0 "[ . 1 . 2]" 4
43 1 16 GLY H 1 34 ALA MB 4.500 . 5.500 3.687 3.446 3.891 . 0 0 "[ . 1 . 2]" 4
44 1 16 GLY H 1 35 ILE H 4.000 . 5.000 4.906 4.586 5.040 0.040 8 0 "[ . 1 . 2]" 4
45 1 16 GLY HA3 1 110 TRP HE1 4.000 . 5.000 3.279 3.244 3.325 . 0 0 "[ . 1 . 2]" 4
46 1 16 GLY HA2 1 110 TRP HE1 4.000 . 5.000 5.023 4.950 5.058 0.058 14 0 "[ . 1 . 2]" 4
47 1 16 GLY H 1 110 TRP HE1 4.000 . 5.000 5.012 4.923 5.044 0.044 13 0 "[ . 1 . 2]" 4
48 1 16 GLY H 1 110 TRP HZ3 4.000 . 5.000 5.020 4.990 5.043 0.043 16 0 "[ . 1 . 2]" 4
49 1 16 GLY HA2 1 110 TRP HZ2 4.000 . 5.000 3.572 3.528 3.602 . 0 0 "[ . 1 . 2]" 4
50 1 17 GLU HA 1 31 HIS H 4.000 . 5.000 4.630 4.363 4.845 . 0 0 "[ . 1 . 2]" 4
51 1 17 GLU HB3 1 32 TYR HA 4.000 . 5.000 3.903 3.575 4.130 . 0 0 "[ . 1 . 2]" 4
52 1 17 GLU HB2 1 32 TYR HA 4.000 . 5.000 4.894 4.648 5.024 0.024 2 0 "[ . 1 . 2]" 4
53 1 17 GLU HG3 1 32 TYR HA 4.000 . 5.000 3.594 2.530 4.120 . 0 0 "[ . 1 . 2]" 4
54 1 17 GLU HG2 1 32 TYR HA 4.000 . 5.000 3.016 2.186 4.398 . 0 0 "[ . 1 . 2]" 4
55 1 17 GLU HA 1 32 TYR HA 3.000 . 3.500 2.475 2.149 2.634 . 0 0 "[ . 1 . 2]" 4
56 1 17 GLU HA 1 32 TYR HB2 4.000 . 5.000 4.811 4.397 5.021 0.021 18 0 "[ . 1 . 2]" 4
57 1 17 GLU HA 1 32 TYR HB3 5.000 . 6.000 5.484 5.177 5.660 . 0 0 "[ . 1 . 2]" 4
58 1 17 GLU HG3 1 32 TYR QD 4.500 . 5.500 3.150 2.525 3.586 . 0 0 "[ . 1 . 2]" 4
59 1 17 GLU HG3 1 32 TYR QE 4.500 . 5.500 4.144 3.622 4.572 . 0 0 "[ . 1 . 2]" 4
60 1 17 GLU HG2 1 32 TYR QD 4.500 . 5.500 2.881 2.144 4.059 . 0 0 "[ . 1 . 2]" 4
61 1 17 GLU HG2 1 32 TYR QE 4.500 . 5.500 4.552 3.856 5.509 0.009 20 0 "[ . 1 . 2]" 4
62 1 17 GLU HA 1 33 CYS H 4.000 . 5.000 2.288 1.958 2.611 . 0 0 "[ . 1 . 2]" 4
63 1 17 GLU HB2 1 46 ILE MD 4.500 . 5.500 5.161 4.558 5.509 0.009 19 0 "[ . 1 . 2]" 4
64 1 17 GLU HG3 1 46 ILE MD 4.500 . 5.500 4.296 2.796 5.109 . 0 0 "[ . 1 . 2]" 4
65 1 17 GLU HG2 1 46 ILE MD 4.500 . 5.500 3.418 2.590 3.935 . 0 0 "[ . 1 . 2]" 4
66 1 17 GLU HB3 1 46 ILE MD 4.500 . 5.500 4.292 3.825 4.567 . 0 0 "[ . 1 . 2]" 4
67 1 17 GLU HG2 1 46 ILE MG 5.500 . 6.500 4.749 4.009 5.411 . 0 0 "[ . 1 . 2]" 4
68 1 17 GLU HA 1 46 ILE MD 4.500 . 5.500 5.282 4.638 5.517 0.017 4 0 "[ . 1 . 2]" 4
69 1 17 GLU H 1 110 TRP HZ2 4.000 . 5.000 3.206 2.886 3.667 . 0 0 "[ . 1 . 2]" 4
70 1 18 LEU H 1 31 HIS H 4.000 . 5.000 3.132 2.841 3.465 . 0 0 "[ . 1 . 2]" 4
71 1 18 LEU H 1 32 TYR HA 3.500 . 4.000 3.836 3.465 4.013 0.013 7 0 "[ . 1 . 2]" 4
72 1 18 LEU MD1 1 33 CYS HB3 4.000 . 5.000 3.680 3.124 4.831 . 0 0 "[ . 1 . 2]" 4
73 1 18 LEU MD1 1 33 CYS HB2 4.000 . 5.000 3.441 3.029 4.652 . 0 0 "[ . 1 . 2]" 4
74 1 18 LEU MD1 1 40 LEU MD1 4.000 . 5.000 3.667 3.269 4.232 . 0 0 "[ . 1 . 2]" 4
75 1 18 LEU MD2 1 40 LEU MD2 6.000 . 7.000 5.193 4.789 5.501 . 0 0 "[ . 1 . 2]" 4
76 1 18 LEU MD1 1 40 LEU MD2 4.000 . 5.000 3.166 2.736 3.591 . 0 0 "[ . 1 . 2]" 4
77 1 18 LEU MD1 1 99 PHE HB3 4.000 . 5.000 3.447 3.242 3.979 . 0 0 "[ . 1 . 2]" 4
78 1 18 LEU MD2 1 99 PHE HB3 4.500 . 5.500 2.905 2.501 3.320 . 0 0 "[ . 1 . 2]" 4
79 1 18 LEU MD1 1 99 PHE HB2 4.500 . 5.500 4.563 4.315 4.963 . 0 0 "[ . 1 . 2]" 4
80 1 18 LEU MD2 1 99 PHE HB2 4.500 . 5.500 4.329 3.922 4.668 . 0 0 "[ . 1 . 2]" 4
81 1 18 LEU HB3 1 99 PHE QD 4.500 . 5.500 3.174 2.562 3.551 . 0 0 "[ . 1 . 2]" 4
82 1 18 LEU HB2 1 99 PHE QD 4.000 . 5.000 4.493 3.887 4.847 . 0 0 "[ . 1 . 2]" 4
83 1 18 LEU MD1 1 99 PHE QD 4.500 . 5.500 2.359 1.912 2.779 . 0 0 "[ . 1 . 2]" 4
84 1 18 LEU MD2 1 99 PHE QD 4.500 . 5.500 2.945 2.010 3.751 . 0 0 "[ . 1 . 2]" 4
85 1 18 LEU MD2 1 100 ALA MB 5.000 . 6.000 4.454 4.275 4.725 . 0 0 "[ . 1 . 2]" 4
86 1 18 LEU MD1 1 100 ALA H 4.500 . 5.500 4.715 4.460 5.163 . 0 0 "[ . 1 . 2]" 4
87 1 18 LEU MD2 1 100 ALA H 4.500 . 5.500 3.017 2.731 3.244 . 0 0 "[ . 1 . 2]" 4
88 1 18 LEU HA 1 101 THR MG 4.500 . 5.500 3.868 3.655 4.087 . 0 0 "[ . 1 . 2]" 4
89 1 18 LEU MD1 1 101 THR MG 6.000 . 7.000 3.831 3.498 4.379 . 0 0 "[ . 1 . 2]" 4
90 1 18 LEU MD2 1 101 THR MG 4.000 . 5.000 2.100 1.906 2.419 . 0 0 "[ . 1 . 2]" 4
91 1 18 LEU MD2 1 101 THR HA 4.500 . 5.500 3.309 2.965 3.933 . 0 0 "[ . 1 . 2]" 4
92 1 18 LEU MD2 1 101 THR HB 4.500 . 5.500 4.267 3.964 4.763 . 0 0 "[ . 1 . 2]" 4
93 1 18 LEU HA 1 101 THR HA 4.000 . 5.000 4.604 4.250 4.989 . 0 0 "[ . 1 . 2]" 4
94 1 18 LEU MD2 1 101 THR H 4.500 . 5.500 4.584 4.315 5.112 . 0 0 "[ . 1 . 2]" 4
95 1 18 LEU MD2 1 110 TRP HB2 5.500 . 6.500 3.481 3.152 3.699 . 0 0 "[ . 1 . 2]" 4
96 1 18 LEU MD1 1 110 TRP HE1 4.500 . 5.500 4.819 4.597 5.258 . 0 0 "[ . 1 . 2]" 4
97 1 18 LEU MD2 1 110 TRP HE1 4.500 . 5.500 5.105 4.346 5.499 . 0 0 "[ . 1 . 2]" 4
98 1 18 LEU HG 1 110 TRP HE1 4.000 . 5.000 4.161 3.712 4.680 . 0 0 "[ . 1 . 2]" 4
99 1 18 LEU HB2 1 110 TRP HH2 4.000 . 5.000 5.030 5.002 5.052 0.052 3 0 "[ . 1 . 2]" 4
100 1 18 LEU MD2 1 110 TRP HD1 4.500 . 5.500 4.287 3.690 4.705 . 0 0 "[ . 1 . 2]" 4
101 1 18 LEU HG 1 110 TRP HZ2 4.000 . 5.000 4.759 4.036 5.029 0.029 13 0 "[ . 1 . 2]" 4
102 1 18 LEU MD1 1 111 PHE HZ 4.500 . 5.500 4.238 3.927 5.009 . 0 0 "[ . 1 . 2]" 4
103 1 18 LEU MD1 1 114 ILE MD 4.500 . 5.500 2.757 2.553 2.974 . 0 0 "[ . 1 . 2]" 4
104 1 18 LEU MD2 1 114 ILE MD 4.500 . 5.500 4.294 3.797 4.588 . 0 0 "[ . 1 . 2]" 4
105 1 19 TYR HB2 1 28 TRP HA 5.000 . 6.000 5.821 5.497 5.960 . 0 0 "[ . 1 . 2]" 4
106 1 19 TYR H 1 28 TRP HE3 4.000 . 5.000 5.088 5.045 5.123 0.123 5 0 "[ . 1 . 2]" 4
107 1 19 TYR HB2 1 28 TRP HE3 4.000 . 5.000 3.130 2.926 3.300 . 0 0 "[ . 1 . 2]" 4
108 1 19 TYR HB3 1 28 TRP HE3 4.000 . 5.000 1.912 1.792 2.268 0.008 16 0 "[ . 1 . 2]" 4
109 1 19 TYR QD 1 28 TRP HE3 4.000 . 5.000 3.613 3.400 4.102 . 0 0 "[ . 1 . 2]" 4
110 1 19 TYR QE 1 28 TRP QB 4.500 . 5.500 4.235 3.784 4.512 . 0 0 "[ . 1 . 2]" 4
111 1 19 TYR QD 1 28 TRP QB 4.500 . 5.500 2.634 2.113 3.022 . 0 0 "[ . 1 . 2]" 4
112 1 19 TYR HA 1 29 THR H 4.000 . 5.000 4.361 3.929 4.793 . 0 0 "[ . 1 . 2]" 4
113 1 19 TYR HB3 1 29 THR H 4.000 . 5.000 4.042 3.460 4.469 . 0 0 "[ . 1 . 2]" 4
114 1 19 TYR QD 1 29 THR H 4.500 . 5.500 3.696 3.270 4.255 . 0 0 "[ . 1 . 2]" 4
115 1 19 TYR HA 1 30 ARG HA 3.500 . 4.000 3.539 3.231 3.942 . 0 0 "[ . 1 . 2]" 4
116 1 19 TYR QD 1 30 ARG HA 4.500 . 5.500 3.433 2.805 3.901 . 0 0 "[ . 1 . 2]" 4
117 1 19 TYR QE 1 30 ARG QB 4.500 . 5.500 3.098 2.049 4.496 . 0 0 "[ . 1 . 2]" 4
118 1 19 TYR QE 1 30 ARG QD 4.500 . 5.500 4.721 4.043 5.238 . 0 0 "[ . 1 . 2]" 4
119 1 19 TYR HA 1 31 HIS H 4.000 . 5.000 3.558 3.287 3.889 . 0 0 "[ . 1 . 2]" 4
120 1 19 TYR QD 1 31 HIS H 4.500 . 5.500 4.688 4.408 4.970 . 0 0 "[ . 1 . 2]" 4
121 1 19 TYR H 1 99 PHE QD 4.500 . 5.500 4.218 3.389 4.666 . 0 0 "[ . 1 . 2]" 4
122 1 19 TYR HB2 1 100 ALA MB 4.000 . 5.000 2.773 2.303 2.991 . 0 0 "[ . 1 . 2]" 4
123 1 19 TYR HB3 1 100 ALA MB 4.500 . 5.500 3.494 3.081 3.876 . 0 0 "[ . 1 . 2]" 4
124 1 19 TYR HB2 1 100 ALA H 4.000 . 5.000 3.015 2.749 3.294 . 0 0 "[ . 1 . 2]" 4
125 1 19 TYR HB3 1 100 ALA H 4.000 . 5.000 4.249 4.035 4.602 . 0 0 "[ . 1 . 2]" 4
126 1 19 TYR H 1 100 ALA MB 4.500 . 5.500 4.574 4.206 4.884 . 0 0 "[ . 1 . 2]" 4
127 1 19 TYR QD 1 100 ALA MB 5.000 . 6.000 4.203 3.902 4.456 . 0 0 "[ . 1 . 2]" 4
128 1 19 TYR HB2 1 101 THR HA 4.000 . 5.000 3.958 3.722 4.174 . 0 0 "[ . 1 . 2]" 4
129 1 19 TYR QD 1 101 THR H 4.500 . 5.500 5.079 4.647 5.509 0.009 20 0 "[ . 1 . 2]" 4
130 1 19 TYR QD 1 101 THR HA 4.500 . 5.500 2.806 2.353 3.345 . 0 0 "[ . 1 . 2]" 4
131 1 19 TYR QE 1 102 ASP H 4.500 . 5.500 4.441 3.786 5.301 . 0 0 "[ . 1 . 2]" 4
132 1 20 MET H 1 28 TRP HA 4.000 . 5.000 4.407 4.111 4.680 . 0 0 "[ . 1 . 2]" 4
133 1 20 MET H 1 28 TRP HE3 4.000 . 5.000 3.012 2.843 3.323 . 0 0 "[ . 1 . 2]" 4
134 1 20 MET H 1 29 THR H 4.000 . 5.000 3.503 3.193 3.803 . 0 0 "[ . 1 . 2]" 4
135 1 20 MET H 1 29 THR MG 4.500 . 5.500 5.481 5.117 5.562 0.062 11 0 "[ . 1 . 2]" 4
136 1 20 MET H 1 31 HIS HD2 4.000 . 5.000 2.954 2.085 5.027 0.027 9 0 "[ . 1 . 2]" 4
137 1 20 MET H 1 31 HIS HE1 4.000 . 5.000 4.680 1.788 5.046 0.046 11 0 "[ . 1 . 2]" 4
138 1 20 MET H 1 31 HIS H 4.000 . 5.000 4.978 4.696 5.052 0.052 12 0 "[ . 1 . 2]" 4
139 1 20 MET HA 1 97 VAL MG1 5.500 . 6.500 4.136 3.971 4.318 . 0 0 "[ . 1 . 2]" 4
140 1 20 MET HG3 1 97 VAL MG1 4.000 . 5.000 4.301 4.061 4.551 . 0 0 "[ . 1 . 2]" 4
141 1 20 MET HB2 1 97 VAL MG1 5.500 . 6.500 4.414 4.076 4.698 . 0 0 "[ . 1 . 2]" 4
142 1 20 MET HG2 1 97 VAL MG1 5.500 . 6.500 2.891 2.667 3.172 . 0 0 "[ . 1 . 2]" 4
143 1 20 MET HA 1 98 GLU H 4.000 . 5.000 5.022 4.965 5.054 0.054 16 0 "[ . 1 . 2]" 4
144 1 20 MET HA 1 99 PHE HA 3.500 . 4.000 2.404 2.303 2.588 . 0 0 "[ . 1 . 2]" 4
145 1 20 MET HB2 1 99 PHE HA 4.000 . 5.000 5.158 4.998 5.366 0.366 12 0 "[ . 1 . 2]" 4
146 1 20 MET HG2 1 99 PHE HA 4.000 . 5.000 3.449 3.067 4.375 . 0 0 "[ . 1 . 2]" 4
147 1 20 MET HG2 1 99 PHE QE 4.000 . 5.000 2.985 2.489 3.231 . 0 0 "[ . 1 . 2]" 4
148 1 20 MET HA 1 100 ALA H 4.000 . 5.000 3.857 3.677 3.970 . 0 0 "[ . 1 . 2]" 4
149 1 20 MET H 1 100 ALA H 4.000 . 5.000 5.069 5.043 5.117 0.117 8 0 "[ . 1 . 2]" 4
150 1 20 MET HG3 1 114 ILE MD 5.000 . 6.000 6.153 6.044 6.186 0.186 13 0 "[ . 1 . 2]" 4
151 1 20 MET HG2 1 114 ILE MD 5.000 . 6.000 5.919 5.785 6.061 0.061 15 0 "[ . 1 . 2]" 4
152 1 21 TRP HA 1 27 LYS H 4.000 . 5.000 4.719 4.502 4.938 . 0 0 "[ . 1 . 2]" 4
153 1 21 TRP HZ2 1 27 LYS H 4.000 . 5.000 5.040 5.012 5.078 0.078 11 0 "[ . 1 . 2]" 4
154 1 21 TRP HZ3 1 27 LYS H 4.000 . 5.000 3.196 3.095 3.333 . 0 0 "[ . 1 . 2]" 4
155 1 21 TRP HA 1 28 TRP HA 3.500 . 4.000 3.649 3.484 3.759 . 0 0 "[ . 1 . 2]" 4
156 1 21 TRP HE3 1 28 TRP HE1 4.000 . 5.000 3.916 3.367 4.354 . 0 0 "[ . 1 . 2]" 4
157 1 21 TRP HE3 1 28 TRP H 4.000 . 5.000 4.959 4.736 5.030 0.030 20 0 "[ . 1 . 2]" 4
158 1 21 TRP HZ3 1 28 TRP HE1 4.000 . 5.000 4.254 3.763 4.569 . 0 0 "[ . 1 . 2]" 4
159 1 21 TRP H 1 28 TRP HE3 4.000 . 5.000 4.338 4.090 4.512 . 0 0 "[ . 1 . 2]" 4
160 1 21 TRP H 1 28 TRP HH2 4.000 . 5.000 3.626 3.274 4.170 . 0 0 "[ . 1 . 2]" 4
161 1 21 TRP H 1 28 TRP HZ3 4.000 . 5.000 2.986 2.640 3.251 . 0 0 "[ . 1 . 2]" 4
162 1 21 TRP HE3 1 28 TRP HD1 4.000 . 5.000 4.508 4.058 4.894 . 0 0 "[ . 1 . 2]" 4
163 1 21 TRP HA 1 29 THR H 4.000 . 5.000 4.913 4.646 5.024 0.024 19 0 "[ . 1 . 2]" 4
164 1 21 TRP HB2 1 79 ASN QD 4.000 . 5.000 3.478 2.093 4.694 . 0 0 "[ . 1 . 2]" 4
165 1 21 TRP HE1 1 79 ASN QD 4.000 . 5.000 4.278 3.377 4.823 . 0 0 "[ . 1 . 2]" 4
166 1 21 TRP HZ2 1 79 ASN QD 4.000 . 5.000 4.368 3.103 5.021 0.021 16 0 "[ . 1 . 2]" 4
167 1 21 TRP HZ3 1 79 ASN QD 4.000 . 5.000 4.221 3.251 4.845 . 0 0 "[ . 1 . 2]" 4
168 1 21 TRP HB3 1 98 GLU HB3 4.000 . 5.000 3.692 3.192 4.051 . 0 0 "[ . 1 . 2]" 4
169 1 21 TRP HB2 1 98 GLU HB3 4.000 . 5.000 3.194 3.083 3.402 . 0 0 "[ . 1 . 2]" 4
170 1 21 TRP HB2 1 98 GLU HB2 4.000 . 5.000 2.334 2.046 2.651 . 0 0 "[ . 1 . 2]" 4
171 1 21 TRP HB3 1 98 GLU HB2 3.500 . 4.000 2.110 1.803 2.380 . 0 0 "[ . 1 . 2]" 4
172 1 21 TRP HB3 1 98 GLU HA 4.000 . 5.000 4.888 4.714 5.042 0.042 7 0 "[ . 1 . 2]" 4
173 1 21 TRP HB3 1 98 GLU H 4.000 . 5.000 3.017 2.831 3.342 . 0 0 "[ . 1 . 2]" 4
174 1 21 TRP HB2 1 98 GLU H 4.000 . 5.000 4.245 3.866 4.765 . 0 0 "[ . 1 . 2]" 4
175 1 21 TRP HD1 1 98 GLU H 4.000 . 5.000 4.232 4.068 4.464 . 0 0 "[ . 1 . 2]" 4
176 1 21 TRP H 1 98 GLU H 4.000 . 5.000 3.640 3.451 3.870 . 0 0 "[ . 1 . 2]" 4
177 1 21 TRP H 1 99 PHE HA 4.000 . 5.000 3.660 3.383 3.858 . 0 0 "[ . 1 . 2]" 4
178 1 22 ASP H 1 28 TRP HA 4.000 . 5.000 3.618 3.363 3.785 . 0 0 "[ . 1 . 2]" 4
179 1 22 ASP HB3 1 29 THR MG 4.500 . 5.500 3.862 3.151 4.507 . 0 0 "[ . 1 . 2]" 4
180 1 22 ASP HB2 1 29 THR MG 3.500 . 4.000 3.280 2.547 3.749 . 0 0 "[ . 1 . 2]" 4
181 1 22 ASP HA 1 29 THR MG 5.500 . 6.500 5.391 4.703 6.001 . 0 0 "[ . 1 . 2]" 4
182 1 22 ASP HB2 1 29 THR H 4.000 . 5.000 4.357 3.460 5.007 0.007 6 0 "[ . 1 . 2]" 4
183 1 22 ASP H 1 29 THR H 4.000 . 5.000 4.589 3.876 4.999 . 0 0 "[ . 1 . 2]" 4
184 1 22 ASP H 1 29 THR MG 4.500 . 5.500 4.778 4.201 5.164 . 0 0 "[ . 1 . 2]" 4
185 1 28 TRP HZ2 1 78 LYS H 4.000 . 5.000 4.297 3.819 4.622 . 0 0 "[ . 1 . 2]" 4
186 1 28 TRP HE1 1 79 ASN QD 4.000 . 5.000 3.909 2.722 5.026 0.026 8 0 "[ . 1 . 2]" 4
187 1 28 TRP HZ2 1 79 ASN QD 4.000 . 5.000 3.287 2.173 5.037 0.037 8 0 "[ . 1 . 2]" 4
188 1 28 TRP HE1 1 79 ASN HA 4.000 . 5.000 4.856 4.471 5.054 0.054 13 0 "[ . 1 . 2]" 4
189 1 28 TRP HE1 1 79 ASN HB3 3.500 . 4.000 3.328 2.888 3.644 . 0 0 "[ . 1 . 2]" 4
190 1 28 TRP HE1 1 79 ASN HB2 3.500 . 4.000 2.313 2.068 2.693 . 0 0 "[ . 1 . 2]" 4
191 1 28 TRP HZ2 1 79 ASN HB3 4.000 . 5.000 4.819 4.155 5.059 0.059 5 0 "[ . 1 . 2]" 4
192 1 28 TRP HZ2 1 79 ASN HB2 4.000 . 5.000 3.185 2.401 3.426 . 0 0 "[ . 1 . 2]" 4
193 1 28 TRP HE1 1 80 GLN HB3 4.000 . 5.000 5.021 4.941 5.061 0.061 8 0 "[ . 1 . 2]" 4
194 1 28 TRP HE1 1 80 GLN HB2 4.000 . 5.000 3.420 3.310 3.561 . 0 0 "[ . 1 . 2]" 4
195 1 28 TRP QB 1 81 LYS QE 4.000 . 5.000 2.972 2.687 3.389 . 0 0 "[ . 1 . 2]" 4
196 1 28 TRP HE1 1 81 LYS H 4.000 . 5.000 3.798 3.260 4.381 . 0 0 "[ . 1 . 2]" 4
197 1 28 TRP HZ2 1 81 LYS H 4.000 . 5.000 4.543 4.047 5.032 0.032 6 0 "[ . 1 . 2]" 4
198 1 28 TRP HE1 1 81 LYS HB2 4.000 . 5.000 4.014 3.851 4.292 . 0 0 "[ . 1 . 2]" 4
199 1 28 TRP HE1 1 81 LYS HB3 4.000 . 5.000 5.082 5.021 5.160 0.160 5 0 "[ . 1 . 2]" 4
200 1 28 TRP HE1 1 81 LYS HG3 4.000 . 5.000 3.229 2.896 3.551 . 0 0 "[ . 1 . 2]" 4
201 1 28 TRP HE1 1 81 LYS HG2 4.000 . 5.000 2.349 2.223 2.623 . 0 0 "[ . 1 . 2]" 4
202 1 28 TRP HH2 1 81 LYS QE 4.000 . 5.000 4.868 4.817 4.975 . 0 0 "[ . 1 . 2]" 4
203 1 28 TRP HE1 1 84 VAL MG2 4.500 . 5.500 4.635 4.319 5.041 . 0 0 "[ . 1 . 2]" 4
204 1 28 TRP HZ2 1 84 VAL MG2 4.500 . 5.500 2.848 2.575 3.195 . 0 0 "[ . 1 . 2]" 4
205 1 28 TRP HZ3 1 100 ALA H 3.500 . 4.000 2.940 2.712 3.354 . 0 0 "[ . 1 . 2]" 4
206 1 29 THR MG 1 45 ASP HB3 4.500 . 5.500 4.288 3.463 5.026 . 0 0 "[ . 1 . 2]" 4
207 1 29 THR MG 1 45 ASP HA 4.500 . 5.500 5.192 4.618 5.529 0.029 2 0 "[ . 1 . 2]" 4
208 1 29 THR MG 1 45 ASP H 4.500 . 5.500 5.549 5.515 5.605 0.105 7 0 "[ . 1 . 2]" 4
209 1 29 THR HB 1 50 MET QG 5.000 . 6.000 5.625 5.421 5.776 . 0 0 "[ . 1 . 2]" 4
210 1 30 ARG HA 1 46 ILE MD 5.500 . 6.500 5.211 4.207 5.564 . 0 0 "[ . 1 . 2]" 4
211 1 30 ARG QB 1 46 ILE MD . . 4.000 3.425 1.949 3.823 . 0 0 "[ . 1 . 2]" 4
212 1 30 ARG HD2 1 46 ILE MD 4.500 . 5.500 2.279 1.941 2.662 . 0 0 "[ . 1 . 2]" 4
213 1 30 ARG HG2 1 46 ILE MD 3.500 . 4.000 2.759 2.190 3.846 . 0 0 "[ . 1 . 2]" 4
214 1 30 ARG HD3 1 46 ILE MD 4.500 . 5.500 2.418 2.146 2.714 . 0 0 "[ . 1 . 2]" 4
215 1 30 ARG HG3 1 46 ILE MD 3.500 . 4.000 3.850 3.581 4.044 0.044 5 0 "[ . 1 . 2]" 4
216 1 30 ARG HD3 1 46 ILE MG 4.500 . 5.500 5.262 5.076 5.517 0.017 18 0 "[ . 1 . 2]" 4
217 1 30 ARG HD2 1 46 ILE MG 4.500 . 5.500 4.960 4.741 5.386 . 0 0 "[ . 1 . 2]" 4
218 1 30 ARG QB 1 47 GLU HG2 4.000 . 4.000 2.949 2.591 3.854 . 0 0 "[ . 1 . 2]" 4
219 1 30 ARG QB 1 47 GLU HG3 4.000 . 4.000 3.382 2.284 3.807 . 0 0 "[ . 1 . 2]" 4
220 1 30 ARG HD2 1 47 GLU HG2 4.000 . 5.000 3.004 2.537 3.667 . 0 0 "[ . 1 . 2]" 4
221 1 30 ARG HD3 1 47 GLU HG3 5.000 . 6.000 5.754 4.381 6.032 0.032 3 0 "[ . 1 . 2]" 4
222 1 30 ARG HD2 1 47 GLU HG3 4.000 . 5.000 4.017 2.639 4.310 . 0 0 "[ . 1 . 2]" 4
223 1 31 HIS HB3 1 42 PHE HB3 4.000 . 5.000 4.552 3.990 5.079 0.079 8 0 "[ . 1 . 2]" 4
224 1 31 HIS HB2 1 42 PHE HB3 4.000 . 5.000 4.492 3.606 4.961 . 0 0 "[ . 1 . 2]" 4
225 1 31 HIS HB2 1 42 PHE HB2 4.000 . 5.000 3.396 2.055 4.006 . 0 0 "[ . 1 . 2]" 4
226 1 31 HIS HB3 1 42 PHE HA 4.000 . 5.000 4.558 3.894 5.618 0.618 12 1 "[ . 1 + . 2]" 4
227 1 31 HIS HA 1 46 ILE MD 4.500 . 5.500 4.511 4.096 5.057 . 0 0 "[ . 1 . 2]" 4
228 1 31 HIS HA 1 46 ILE HG12 4.000 . 5.000 3.990 3.602 4.319 . 0 0 "[ . 1 . 2]" 4
229 1 31 HIS HA 1 46 ILE MG 3.500 . 4.000 3.459 3.103 3.710 . 0 0 "[ . 1 . 2]" 4
230 1 31 HIS HA 1 46 ILE HG13 5.000 . 6.000 5.734 5.355 6.009 0.009 2 0 "[ . 1 . 2]" 4
231 1 31 HIS H 1 46 ILE MD 4.500 . 5.500 5.064 4.337 5.499 . 0 0 "[ . 1 . 2]" 4
232 1 31 HIS H 1 46 ILE MG 4.500 . 5.500 5.405 4.667 5.529 0.029 14 0 "[ . 1 . 2]" 4
233 1 32 TYR H 1 42 PHE HA 4.000 . 5.000 4.812 4.476 5.014 0.014 10 0 "[ . 1 . 2]" 4
234 1 32 TYR HB3 1 43 SER QB 4.000 . 5.000 2.632 1.786 3.553 0.014 11 0 "[ . 1 . 2]" 4
235 1 32 TYR H 1 43 SER H 4.000 . 5.000 3.173 2.886 3.566 . 0 0 "[ . 1 . 2]" 4
236 1 32 TYR HA 1 46 ILE MD 4.500 . 5.500 4.338 3.803 4.773 . 0 0 "[ . 1 . 2]" 4
237 1 32 TYR HB2 1 46 ILE MD 5.500 . 6.500 3.243 2.853 3.936 . 0 0 "[ . 1 . 2]" 4
238 1 32 TYR HB3 1 46 ILE MD 5.500 . 6.500 4.730 4.264 5.452 . 0 0 "[ . 1 . 2]" 4
239 1 32 TYR HB2 1 46 ILE MG 4.500 . 5.500 2.568 2.124 3.271 . 0 0 "[ . 1 . 2]" 4
240 1 32 TYR HB3 1 46 ILE MG 4.500 . 5.500 3.445 3.026 4.183 . 0 0 "[ . 1 . 2]" 4
241 1 32 TYR HA 1 46 ILE MG 5.500 . 6.500 4.334 3.819 4.982 . 0 0 "[ . 1 . 2]" 4
242 1 32 TYR H 1 46 ILE MD 4.500 . 5.500 4.461 3.602 5.370 . 0 0 "[ . 1 . 2]" 4
243 1 32 TYR H 1 46 ILE MG 4.500 . 5.500 3.234 2.609 3.755 . 0 0 "[ . 1 . 2]" 4
244 1 32 TYR QE 1 46 ILE MD 4.500 . 5.500 5.315 4.880 5.527 0.027 4 0 "[ . 1 . 2]" 4
245 1 32 TYR QD 1 59 LEU QD 5.000 . 6.000 3.200 1.980 4.061 . 0 0 "[ . 1 . 2]" 4
246 1 32 TYR QE 1 59 LEU MD2 4.500 . 5.500 4.694 3.590 5.450 . 0 0 "[ . 1 . 2]" 4
247 1 33 CYS HA 1 40 LEU MD2 4.500 . 5.500 4.974 4.278 5.533 0.033 14 0 "[ . 1 . 2]" 4
248 1 33 CYS HB3 1 40 LEU MD1 4.000 . 5.000 1.848 1.762 3.205 0.038 17 0 "[ . 1 . 2]" 4
249 1 33 CYS HB3 1 40 LEU MD2 4.000 . 5.000 3.456 3.066 4.071 . 0 0 "[ . 1 . 2]" 4
250 1 33 CYS HB2 1 40 LEU MD1 4.000 . 5.000 3.214 1.785 3.381 0.015 14 0 "[ . 1 . 2]" 4
251 1 33 CYS HB2 1 40 LEU MD2 4.000 . 5.000 4.481 3.453 4.777 . 0 0 "[ . 1 . 2]" 4
252 1 33 CYS HA 1 40 LEU MD1 4.500 . 5.500 3.268 2.715 3.839 . 0 0 "[ . 1 . 2]" 4
253 1 33 CYS HA 1 41 SER H 4.000 . 5.000 4.850 4.349 5.037 0.037 11 0 "[ . 1 . 2]" 4
254 1 33 CYS HB3 1 42 PHE HA 4.000 . 5.000 4.115 2.390 4.723 . 0 0 "[ . 1 . 2]" 4
255 1 33 CYS HB2 1 42 PHE HA 4.500 . 5.500 4.854 3.168 5.274 . 0 0 "[ . 1 . 2]" 4
256 1 33 CYS HA 1 42 PHE HB3 4.000 . 5.000 3.622 3.188 3.868 . 0 0 "[ . 1 . 2]" 4
257 1 33 CYS HA 1 42 PHE HB2 4.000 . 5.000 4.098 3.711 4.586 . 0 0 "[ . 1 . 2]" 4
258 1 33 CYS H 1 110 TRP HZ2 4.000 . 5.000 4.595 4.041 5.006 0.006 17 0 "[ . 1 . 2]" 4
259 1 34 ALA MB 1 40 LEU MD1 5.000 . 6.000 3.911 3.635 4.220 . 0 0 "[ . 1 . 2]" 4
260 1 34 ALA HA 1 40 LEU MD1 4.500 . 5.500 3.665 3.457 3.915 . 0 0 "[ . 1 . 2]" 4
261 1 34 ALA H 1 40 LEU QD 4.500 . 5.500 2.141 1.823 2.470 . 0 0 "[ . 1 . 2]" 4
262 1 34 ALA MB 1 41 SER QB 5.000 . 6.000 3.999 3.279 4.523 . 0 0 "[ . 1 . 2]" 4
263 1 34 ALA H 1 41 SER H 4.000 . 5.000 3.166 2.606 3.379 . 0 0 "[ . 1 . 2]" 4
264 1 34 ALA MB 1 59 LEU MD1 4.500 . 5.500 4.916 3.157 6.031 0.531 17 2 "[ - . 1 . + 2]" 4
265 1 34 ALA MB 1 59 LEU MD2 5.000 . 6.000 5.383 4.650 6.027 0.027 13 0 "[ . 1 . 2]" 4
266 1 34 ALA HA 1 110 TRP HZ3 4.000 . 5.000 4.349 3.905 4.827 . 0 0 "[ . 1 . 2]" 4
267 1 35 ILE HA 1 41 SER H 3.500 . 4.000 3.300 2.921 3.567 . 0 0 "[ . 1 . 2]" 4
268 1 35 ILE HG12 1 41 SER H 4.000 . 5.000 4.676 4.317 5.007 0.007 10 0 "[ . 1 . 2]" 4
269 1 35 ILE MD 1 110 TRP HB3 5.500 . 6.500 5.140 4.891 5.450 . 0 0 "[ . 1 . 2]" 4
270 1 35 ILE MD 1 110 TRP HA 4.500 . 5.500 4.282 3.953 4.533 . 0 0 "[ . 1 . 2]" 4
271 1 35 ILE H 1 110 TRP HZ3 4.000 . 5.000 4.073 3.565 4.352 . 0 0 "[ . 1 . 2]" 4
272 1 35 ILE MD 1 110 TRP HE3 4.000 . 5.000 3.121 2.833 3.380 . 0 0 "[ . 1 . 2]" 4
273 1 35 ILE HG13 1 110 TRP HH2 4.000 . 5.000 3.617 3.269 3.805 . 0 0 "[ . 1 . 2]" 4
274 1 35 ILE MD 1 113 SER HB3 4.000 . 5.000 3.032 2.307 4.093 . 0 0 "[ . 1 . 2]" 4
275 1 35 ILE MG 1 113 SER HB3 5.500 . 6.500 4.991 3.774 5.749 . 0 0 "[ . 1 . 2]" 4
276 1 35 ILE MD 1 113 SER HA 4.500 . 5.500 4.604 4.183 5.124 . 0 0 "[ . 1 . 2]" 4
277 1 35 ILE MD 1 113 SER HB2 4.000 . 5.000 3.442 2.532 4.509 . 0 0 "[ . 1 . 2]" 4
278 1 35 ILE MD 1 114 ILE HG12 3.500 . 4.000 3.074 2.654 3.516 . 0 0 "[ . 1 . 2]" 4
279 1 35 ILE MG 1 117 ILE MD 3.500 . 4.000 2.251 1.869 2.982 . 0 0 "[ . 1 . 2]" 4
280 1 35 ILE MG 1 117 ILE HB 4.500 . 5.500 4.982 4.678 5.523 0.023 5 0 "[ . 1 . 2]" 4
281 1 35 ILE MG 1 117 ILE QG 4.500 . 5.500 3.787 3.228 4.195 . 0 0 "[ . 1 . 2]" 4
282 1 38 ALA HA 1 66 LEU QD 4.500 . 5.500 3.654 2.810 4.117 . 0 0 "[ . 1 . 2]" 4
283 1 38 ALA MB 1 66 LEU HB2 4.500 . 5.500 3.704 3.218 3.993 . 0 0 "[ . 1 . 2]" 4
284 1 38 ALA MB 1 66 LEU QD 4.500 . 5.500 3.849 3.324 4.239 . 0 0 "[ . 1 . 2]" 4
285 1 38 ALA MB 1 66 LEU HA 5.500 . 6.500 6.109 5.770 6.402 . 0 0 "[ . 1 . 2]" 4
286 1 38 ALA MB 1 67 ASN HD21 4.500 . 5.500 4.039 3.603 5.179 . 0 0 "[ . 1 . 2]" 4
287 1 38 ALA MB 1 67 ASN HD22 4.500 . 5.500 2.811 2.316 3.862 . 0 0 "[ . 1 . 2]" 4
288 1 38 ALA MB 1 67 ASN H 4.500 . 5.500 5.370 3.973 5.579 0.079 15 0 "[ . 1 . 2]" 4
289 1 38 ALA MB 1 117 ILE HB 4.500 . 5.500 4.777 4.407 5.390 . 0 0 "[ . 1 . 2]" 4
290 1 38 ALA MB 1 117 ILE MD 4.500 . 5.500 3.424 2.845 4.289 . 0 0 "[ . 1 . 2]" 4
291 1 38 ALA MB 1 117 ILE QG 4.000 . 5.000 3.666 2.817 4.627 . 0 0 "[ . 1 . 2]" 4
292 1 38 ALA MB 1 117 ILE MG 3.500 . 4.000 2.346 2.022 2.781 . 0 0 "[ . 1 . 2]" 4
293 1 38 ALA MB 1 117 ILE HA 4.500 . 5.500 4.749 4.313 5.165 . 0 0 "[ . 1 . 2]" 4
294 1 38 ALA HA 1 117 ILE MG 3.500 . 4.000 2.994 2.445 3.394 . 0 0 "[ . 1 . 2]" 4
295 1 38 ALA H 1 117 ILE MG 4.500 . 5.500 5.028 4.429 5.442 . 0 0 "[ . 1 . 2]" 4
296 1 39 LYS HA 1 63 ILE MG 4.500 . 5.500 3.828 3.576 4.101 . 0 0 "[ . 1 . 2]" 4
297 1 39 LYS HB3 1 63 ILE MD 3.500 . 4.000 4.052 3.920 4.266 0.266 11 0 "[ . 1 . 2]" 4
298 1 39 LYS HB3 1 63 ILE MG 3.000 . 3.500 2.032 1.904 2.304 . 0 0 "[ . 1 . 2]" 4
299 1 39 LYS HB2 1 63 ILE MD 4.000 . 5.000 4.355 4.031 5.008 0.008 3 0 "[ . 1 . 2]" 4
300 1 39 LYS HB2 1 63 ILE MG 4.000 . 5.000 3.022 2.678 3.621 . 0 0 "[ . 1 . 2]" 4
301 1 39 LYS HD3 1 63 ILE MD 3.500 . 4.000 3.925 3.657 4.082 0.082 3 0 "[ . 1 . 2]" 4
302 1 39 LYS HD3 1 63 ILE MG 3.000 . 3.500 2.304 1.989 2.721 . 0 0 "[ . 1 . 2]" 4
303 1 39 LYS HD2 1 63 ILE MD 4.000 . 5.000 3.795 2.987 4.232 . 0 0 "[ . 1 . 2]" 4
304 1 39 LYS HD2 1 63 ILE MG 3.500 . 4.000 2.790 1.854 3.257 . 0 0 "[ . 1 . 2]" 4
305 1 39 LYS QE 1 63 ILE MD 5.500 . 6.500 4.999 4.231 5.405 . 0 0 "[ . 1 . 2]" 4
306 1 39 LYS QE 1 63 ILE MG 4.500 . 5.500 3.872 3.474 4.184 . 0 0 "[ . 1 . 2]" 4
307 1 39 LYS HG2 1 63 ILE MG 3.500 . 4.000 3.377 2.462 3.668 . 0 0 "[ . 1 . 2]" 4
308 1 39 LYS HA 1 64 LEU H 4.000 . 5.000 4.712 4.269 5.032 0.032 9 0 "[ . 1 . 2]" 4
309 1 39 LYS HG2 1 65 ASP HB3 5.000 . 6.000 3.852 3.194 4.865 . 0 0 "[ . 1 . 2]" 4
310 1 39 LYS HG2 1 65 ASP HB2 4.000 . 5.000 4.461 3.415 4.839 . 0 0 "[ . 1 . 2]" 4
311 1 39 LYS HB2 1 65 ASP HA 4.000 . 5.000 4.546 4.143 4.704 . 0 0 "[ . 1 . 2]" 4
312 1 39 LYS HA 1 65 ASP HA 3.500 . 4.000 3.552 2.895 3.842 . 0 0 "[ . 1 . 2]" 4
313 1 39 LYS HD3 1 65 ASP HA 3.000 . 3.500 2.728 2.617 2.990 . 0 0 "[ . 1 . 2]" 4
314 1 39 LYS HD2 1 65 ASP HA 3.500 . 4.000 4.066 4.029 4.150 0.150 9 0 "[ . 1 . 2]" 4
315 1 39 LYS QE 1 65 ASP HA 3.500 . 4.000 2.816 2.119 4.023 0.023 3 0 "[ . 1 . 2]" 4
316 1 39 LYS HG2 1 65 ASP HA 3.500 . 4.000 1.816 1.712 1.933 0.088 5 0 "[ . 1 . 2]" 4
317 1 39 LYS HG3 1 65 ASP HA 3.000 . 3.500 3.421 2.598 3.549 0.049 8 0 "[ . 1 . 2]" 4
318 1 39 LYS HA 1 66 LEU QD 4.000 . 5.000 2.404 1.788 3.217 0.012 9 0 "[ . 1 . 2]" 4
319 1 39 LYS HA 1 66 LEU H 4.000 . 5.000 4.001 2.179 4.847 . 0 0 "[ . 1 . 2]" 4
320 1 39 LYS H 1 66 LEU QD 4.000 . 5.000 3.860 3.420 4.709 . 0 0 "[ . 1 . 2]" 4
321 1 40 LEU QB 1 64 LEU QB 3.500 . 4.000 2.216 2.025 2.312 . 0 0 "[ . 1 . 2]" 4
322 1 40 LEU MD2 1 64 LEU QB 4.000 . 4.000 3.085 2.856 3.290 . 0 0 "[ . 1 . 2]" 4
323 1 40 LEU MD2 1 64 LEU MD1 4.500 . 5.500 4.514 3.654 4.792 . 0 0 "[ . 1 . 2]" 4
324 1 40 LEU MD1 1 64 LEU QB 4.000 . 5.000 4.643 4.253 4.845 . 0 0 "[ . 1 . 2]" 4
325 1 40 LEU HG 1 64 LEU H 3.500 . 4.000 4.036 3.943 4.079 0.079 11 0 "[ . 1 . 2]" 4
326 1 40 LEU H 1 64 LEU H 4.000 . 5.000 2.762 2.410 3.134 . 0 0 "[ . 1 . 2]" 4
327 1 40 LEU HA 1 66 LEU QD 4.500 . 5.500 3.754 3.460 4.102 . 0 0 "[ . 1 . 2]" 4
328 1 40 LEU H 1 66 LEU H 4.000 . 5.000 4.575 3.432 5.033 0.033 2 0 "[ . 1 . 2]" 4
329 1 40 LEU MD2 1 99 PHE QE 4.000 . 5.000 2.845 2.412 3.088 . 0 0 "[ . 1 . 2]" 4
330 1 40 LEU MD2 1 99 PHE HZ 4.500 . 5.500 3.393 2.859 3.748 . 0 0 "[ . 1 . 2]" 4
331 1 40 LEU MD1 1 110 TRP HH2 4.000 . 5.000 3.328 3.134 3.528 . 0 0 "[ . 1 . 2]" 4
332 1 40 LEU QB 1 114 ILE MD 4.500 . 5.500 4.228 3.855 4.704 . 0 0 "[ . 1 . 2]" 4
333 1 40 LEU QB 1 117 ILE MD 4.000 . 5.000 4.306 3.885 4.806 . 0 0 "[ . 1 . 2]" 4
334 1 41 SER QB 1 60 CYS HB3 4.000 . 5.000 3.946 3.277 4.827 . 0 0 "[ . 1 . 2]" 4
335 1 41 SER QB 1 60 CYS HB2 4.000 . 5.000 3.866 2.662 4.854 . 0 0 "[ . 1 . 2]" 4
336 1 41 SER QB 1 60 CYS HA 4.000 . 5.000 3.531 2.663 4.399 . 0 0 "[ . 1 . 2]" 4
337 1 41 SER QB 1 60 CYS QB 5.000 . 6.000 3.367 2.620 3.693 . 0 0 "[ . 1 . 2]" 4
338 1 41 SER HA 1 62 GLY H 4.000 . 5.000 4.411 4.082 4.713 . 0 0 "[ . 1 . 2]" 4
339 1 41 SER HA 1 63 ILE HG13 4.000 . 5.000 3.870 3.650 4.350 . 0 0 "[ . 1 . 2]" 4
340 1 41 SER HA 1 63 ILE MG 4.500 . 5.500 3.162 2.637 3.572 . 0 0 "[ . 1 . 2]" 4
341 1 41 SER QB 1 63 ILE MD 4.500 . 5.500 3.048 2.397 3.929 . 0 0 "[ . 1 . 2]" 4
342 1 41 SER QB 1 63 ILE HG12 . . 4.000 2.181 1.852 2.742 . 0 0 "[ . 1 . 2]" 4
343 1 41 SER QB 1 63 ILE MG 4.500 . 5.500 3.209 2.666 3.926 . 0 0 "[ . 1 . 2]" 4
344 1 41 SER QB 1 63 ILE HG13 4.000 . 5.000 3.527 3.274 3.846 . 0 0 "[ . 1 . 2]" 4
345 1 41 SER HA 1 63 ILE HA 3.000 . 3.500 2.233 2.128 2.350 . 0 0 "[ . 1 . 2]" 4
346 1 41 SER QB 1 63 ILE HA 4.000 . 5.000 3.599 3.367 3.971 . 0 0 "[ . 1 . 2]" 4
347 1 41 SER HA 1 63 ILE HB 4.000 . 5.000 4.783 4.525 5.036 0.036 8 0 "[ . 1 . 2]" 4
348 1 41 SER HA 1 63 ILE MD 4.000 . 5.000 4.202 3.761 4.711 . 0 0 "[ . 1 . 2]" 4
349 1 41 SER HA 1 63 ILE HG12 4.000 . 5.000 2.632 2.187 3.238 . 0 0 "[ . 1 . 2]" 4
350 1 41 SER HA 1 63 ILE H 4.000 . 5.000 4.724 4.634 4.826 . 0 0 "[ . 1 . 2]" 4
351 1 41 SER HA 1 64 LEU H 4.000 . 5.000 3.595 3.159 3.764 . 0 0 "[ . 1 . 2]" 4
352 1 42 PHE QD 1 61 ARG H 4.500 . 5.500 4.428 3.839 4.737 . 0 0 "[ . 1 . 2]" 4
353 1 42 PHE H 1 61 ARG H 4.000 . 5.000 4.434 4.231 4.714 . 0 0 "[ . 1 . 2]" 4
354 1 42 PHE QD 1 61 ARG HB3 4.000 . 5.000 3.296 2.537 4.617 . 0 0 "[ . 1 . 2]" 4
355 1 42 PHE QD 1 61 ARG QG 4.500 . 5.500 3.736 3.092 4.372 . 0 0 "[ . 1 . 2]" 4
356 1 42 PHE QD 1 62 GLY H 4.500 . 5.500 4.136 3.656 4.735 . 0 0 "[ . 1 . 2]" 4
357 1 42 PHE QE 1 62 GLY H 4.500 . 5.500 4.167 3.867 4.540 . 0 0 "[ . 1 . 2]" 4
358 1 42 PHE H 1 62 GLY H 4.000 . 5.000 3.466 3.170 3.944 . 0 0 "[ . 1 . 2]" 4
359 1 42 PHE QE 1 63 ILE H 4.500 . 5.500 3.951 3.557 4.246 . 0 0 "[ . 1 . 2]" 4
360 1 42 PHE HZ 1 63 ILE H 4.000 . 5.000 4.596 3.853 5.003 0.003 19 0 "[ . 1 . 2]" 4
361 1 42 PHE H 1 63 ILE HA 4.000 . 5.000 3.442 3.331 3.585 . 0 0 "[ . 1 . 2]" 4
362 1 42 PHE H 1 63 ILE H 4.000 . 5.000 5.065 5.030 5.108 0.108 14 0 "[ . 1 . 2]" 4
363 1 42 PHE QD 1 64 LEU H 4.500 . 5.500 4.301 3.997 4.707 . 0 0 "[ . 1 . 2]" 4
364 1 42 PHE QE 1 64 LEU H 4.500 . 5.500 4.325 3.836 4.693 . 0 0 "[ . 1 . 2]" 4
365 1 42 PHE H 1 64 LEU H 4.000 . 5.000 4.797 4.386 5.016 0.016 15 0 "[ . 1 . 2]" 4
366 1 42 PHE QD 1 64 LEU QB 4.500 . 5.500 4.319 2.942 5.195 . 0 0 "[ . 1 . 2]" 4
367 1 42 PHE QE 1 64 LEU QB 4.500 . 5.500 4.190 2.380 5.187 . 0 0 "[ . 1 . 2]" 4
368 1 42 PHE QD 1 64 LEU MD2 3.500 . 4.000 3.154 2.403 4.078 0.078 10 0 "[ . 1 . 2]" 4
369 1 42 PHE QD 1 64 LEU MD1 5.000 . 6.000 4.808 4.406 5.540 . 0 0 "[ . 1 . 2]" 4
370 1 42 PHE QE 1 64 LEU MD1 5.000 . 6.000 3.571 2.864 5.229 . 0 0 "[ . 1 . 2]" 4
371 1 43 SER HA 1 59 LEU HA 4.000 . 5.000 4.172 3.681 4.531 . 0 0 "[ . 1 . 2]" 4
372 1 43 SER QB 1 59 LEU HA 3.500 . 4.000 3.251 2.550 3.855 . 0 0 "[ . 1 . 2]" 4
373 1 43 SER HA 1 59 LEU MD1 4.500 . 5.500 3.909 3.134 5.534 0.034 3 0 "[ . 1 . 2]" 4
374 1 43 SER QB 1 59 LEU MD1 4.500 . 5.500 2.380 1.845 3.748 . 0 0 "[ . 1 . 2]" 4
375 1 43 SER HA 1 59 LEU MD2 4.500 . 5.500 4.732 2.994 5.573 0.073 14 0 "[ . 1 . 2]" 4
376 1 43 SER QB 1 59 LEU HG 4.000 . 5.000 3.774 2.567 4.848 . 0 0 "[ . 1 . 2]" 4
377 1 43 SER H 1 59 LEU MD1 4.500 . 5.500 4.723 3.913 6.316 0.816 10 3 "[ * . + . - 2]" 4
378 1 43 SER HA 1 60 CYS HA 3.000 . 3.500 3.268 2.599 3.525 0.025 19 0 "[ . 1 . 2]" 4
379 1 43 SER QB 1 60 CYS HA 4.000 . 5.000 3.979 3.295 4.779 . 0 0 "[ . 1 . 2]" 4
380 1 43 SER HA 1 60 CYS QB 5.000 . 6.000 5.032 4.368 5.335 . 0 0 "[ . 1 . 2]" 4
381 1 43 SER HA 1 61 ARG HA 4.000 . 5.000 4.573 3.872 5.020 0.020 14 0 "[ . 1 . 2]" 4
382 1 43 SER HA 1 61 ARG QB 4.000 . 5.000 2.850 2.110 3.959 . 0 0 "[ . 1 . 2]" 4
383 1 43 SER HA 1 61 ARG QG 4.000 . 5.000 3.766 2.450 4.879 . 0 0 "[ . 1 . 2]" 4
384 1 43 SER HA 1 61 ARG H 4.000 . 5.000 2.265 1.780 2.625 0.020 13 0 "[ . 1 . 2]" 4
385 1 43 SER H 1 61 ARG H 4.000 . 5.000 4.548 4.110 4.869 . 0 0 "[ . 1 . 2]" 4
386 1 44 ASP QB 1 57 GLY QA 4.000 . 5.000 4.074 3.492 4.401 . 0 0 "[ . 1 . 2]" 4
387 1 44 ASP H 1 59 LEU MD1 4.500 . 5.500 4.505 3.606 5.976 0.476 3 0 "[ . 1 . 2]" 4
388 1 44 ASP HA 1 61 ARG HB3 3.500 . 4.000 4.022 3.486 4.677 0.677 14 2 "[ .- 1 +. 2]" 4
389 1 44 ASP HA 1 61 ARG HB2 4.000 . 5.000 3.532 2.900 4.054 . 0 0 "[ . 1 . 2]" 4
390 1 44 ASP HA 1 61 ARG QD 4.000 . 4.000 3.690 3.424 3.880 . 0 0 "[ . 1 . 2]" 4
391 1 44 ASP HA 1 61 ARG QB 3.500 . 4.000 3.309 2.783 3.767 . 0 0 "[ . 1 . 2]" 4
392 1 44 ASP HA 1 61 ARG QG 3.500 . 4.000 2.676 2.090 3.582 . 0 0 "[ . 1 . 2]" 4
393 1 44 ASP H 1 61 ARG QB 4.000 . 5.000 3.109 1.955 4.436 . 0 0 "[ . 1 . 2]" 4
394 1 44 ASP H 1 61 ARG QG 4.000 . 5.000 3.453 2.226 4.946 . 0 0 "[ . 1 . 2]" 4
395 1 49 THR MG 1 57 GLY QA 4.500 . 5.500 5.282 3.358 5.554 0.054 18 0 "[ . 1 . 2]" 4
396 1 64 LEU HG 1 71 VAL QG 5.500 . 6.500 6.325 6.078 6.513 0.013 6 0 "[ . 1 . 2]" 4
397 1 64 LEU QB 1 87 LEU QD 4.500 . 5.500 3.411 2.369 4.463 . 0 0 "[ . 1 . 2]" 4
398 1 64 LEU MD2 1 87 LEU QD 3.500 . 4.000 2.810 1.727 3.512 0.073 6 0 "[ . 1 . 2]" 4
399 1 64 LEU MD1 1 87 LEU QD 4.000 . 5.000 2.843 1.822 3.721 . 0 0 "[ . 1 . 2]" 4
400 1 64 LEU HG 1 87 LEU QD 4.000 . 5.000 2.644 1.946 3.811 . 0 0 "[ . 1 . 2]" 4
401 1 64 LEU HA 1 97 VAL MG2 5.500 . 6.500 5.756 4.959 6.143 . 0 0 "[ . 1 . 2]" 4
402 1 64 LEU MD2 1 97 VAL MG1 3.500 . 4.000 3.548 2.718 4.007 0.007 6 0 "[ . 1 . 2]" 4
403 1 64 LEU MD1 1 97 VAL HB 4.000 . 5.000 3.993 3.199 4.916 . 0 0 "[ . 1 . 2]" 4
404 1 64 LEU MD1 1 97 VAL MG1 4.500 . 5.500 3.870 3.190 5.120 . 0 0 "[ . 1 . 2]" 4
405 1 64 LEU MD1 1 97 VAL MG2 4.000 . 5.000 2.810 1.793 4.417 0.007 9 0 "[ . 1 . 2]" 4
406 1 64 LEU HG 1 97 VAL MG2 4.500 . 5.500 4.582 3.500 5.515 0.015 6 0 "[ . 1 . 2]" 4
407 1 64 LEU MD2 1 99 PHE QE 5.000 . 6.000 3.503 2.498 4.186 . 0 0 "[ . 1 . 2]" 4
408 1 64 LEU MD2 1 99 PHE HZ 4.500 . 5.500 2.861 1.999 3.453 . 0 0 "[ . 1 . 2]" 4
409 1 66 LEU HA 1 87 LEU QD 4.500 . 5.500 4.202 3.558 4.857 . 0 0 "[ . 1 . 2]" 4
410 1 66 LEU QD 1 114 ILE HA 4.500 . 5.500 2.782 2.103 3.251 . 0 0 "[ . 1 . 2]" 4
411 1 66 LEU QD 1 114 ILE MD 4.000 . 5.000 3.504 3.027 3.854 . 0 0 "[ . 1 . 2]" 4
412 1 66 LEU HB3 1 117 ILE MG 3.500 . 4.000 2.139 1.912 2.620 . 0 0 "[ . 1 . 2]" 4
413 1 66 LEU HB2 1 117 ILE MG 3.500 . 4.000 2.291 1.789 2.624 0.011 11 0 "[ . 1 . 2]" 4
414 1 66 LEU HA 1 117 ILE MG 3.500 . 4.000 4.043 4.006 4.114 0.114 9 0 "[ . 1 . 2]" 4
415 1 66 LEU QD 1 117 ILE H 4.500 . 5.500 4.046 3.733 4.440 . 0 0 "[ . 1 . 2]" 4
416 1 66 LEU HA 1 118 THR MG 4.500 . 5.500 2.511 2.163 3.965 . 0 0 "[ . 1 . 2]" 4
417 1 66 LEU HB3 1 118 THR MG 4.000 . 5.000 2.340 1.887 2.849 . 0 0 "[ . 1 . 2]" 4
418 1 66 LEU HB2 1 118 THR MG 4.000 . 5.000 3.730 3.368 4.213 . 0 0 "[ . 1 . 2]" 4
419 1 66 LEU QD 1 118 THR MG 4.000 . 5.000 2.195 1.842 3.237 . 0 0 "[ . 1 . 2]" 4
420 1 66 LEU QD 1 118 THR H 4.500 . 5.500 3.966 3.696 4.566 . 0 0 "[ . 1 . 2]" 4
421 1 67 ASN HA 1 117 ILE MG 4.000 . 5.000 3.836 2.994 4.422 . 0 0 "[ . 1 . 2]" 4
422 1 67 ASN HD21 1 117 ILE MG 4.500 . 5.500 3.880 2.513 5.292 . 0 0 "[ . 1 . 2]" 4
423 1 67 ASN HD22 1 117 ILE MG 4.500 . 5.500 3.624 2.574 4.784 . 0 0 "[ . 1 . 2]" 4
424 1 67 ASN HA 1 118 THR MG 4.500 . 5.500 3.919 3.240 4.844 . 0 0 "[ . 1 . 2]" 4
425 1 67 ASN HA 1 118 THR HA 5.000 . 6.000 4.279 2.453 5.317 . 0 0 "[ . 1 . 2]" 4
426 1 67 ASN H 1 118 THR MG 4.500 . 5.500 4.160 1.832 5.557 0.057 11 0 "[ . 1 . 2]" 4
427 1 68 THR HA 1 90 LYS HB2 5.000 . 6.000 2.644 2.314 3.328 . 0 0 "[ . 1 . 2]" 4
428 1 68 THR HA 1 90 LYS HD3 3.500 . 4.000 2.468 2.036 2.685 . 0 0 "[ . 1 . 2]" 4
429 1 68 THR HA 1 90 LYS HD2 4.000 . 5.000 3.981 3.423 4.295 . 0 0 "[ . 1 . 2]" 4
430 1 68 THR HA 1 90 LYS HE3 4.500 . 5.500 5.369 4.992 5.536 0.036 6 0 "[ . 1 . 2]" 4
431 1 68 THR HA 1 90 LYS HE2 4.500 . 5.500 4.364 4.137 4.638 . 0 0 "[ . 1 . 2]" 4
432 1 68 THR MG 1 90 LYS HD3 5.000 . 6.000 4.147 3.460 4.981 . 0 0 "[ . 1 . 2]" 4
433 1 68 THR MG 1 90 LYS HD2 5.000 . 6.000 5.537 4.959 6.019 0.019 19 0 "[ . 1 . 2]" 4
434 1 68 THR MG 1 90 LYS HA 4.500 . 5.500 5.504 5.326 5.574 0.074 11 0 "[ . 1 . 2]" 4
435 1 68 THR HA 1 90 LYS HB3 3.500 . 4.000 4.195 3.942 4.835 0.835 6 3 "[ .+ * 1 . -]" 4
436 1 68 THR HB 1 90 LYS HD3 4.000 . 5.000 4.332 3.953 4.886 . 0 0 "[ . 1 . 2]" 4
437 1 68 THR HA 1 90 LYS HG2 4.000 . 5.000 4.779 4.316 5.419 0.419 6 0 "[ . 1 . 2]" 4
438 1 68 THR MG 1 91 GLN QG 4.500 . 5.500 3.606 2.034 4.711 . 0 0 "[ . 1 . 2]" 4
439 1 69 TYR HB2 1 87 LEU QD . . 5.000 3.208 2.795 3.419 . 0 0 "[ . 1 . 2]" 4
440 1 69 TYR HB3 1 87 LEU QD . . 5.000 2.321 1.773 2.654 0.027 8 0 "[ . 1 . 2]" 4
441 1 69 TYR HB2 1 87 LEU HB3 4.000 . 5.000 4.313 3.985 4.444 . 0 0 "[ . 1 . 2]" 4
442 1 69 TYR HB3 1 87 LEU HB3 4.000 . 5.000 2.979 2.682 3.163 . 0 0 "[ . 1 . 2]" 4
443 1 69 TYR HB2 1 87 LEU HB2 5.000 . 6.000 5.992 5.606 6.067 0.067 6 0 "[ . 1 . 2]" 4
444 1 69 TYR HB3 1 87 LEU HB2 4.000 . 5.000 4.709 4.370 4.834 . 0 0 "[ . 1 . 2]" 4
445 1 69 TYR HB2 1 87 LEU HA 5.000 . 6.000 5.557 5.271 5.768 . 0 0 "[ . 1 . 2]" 4
446 1 69 TYR HB3 1 87 LEU HA 5.000 . 6.000 3.868 3.587 4.087 . 0 0 "[ . 1 . 2]" 4
447 1 69 TYR HA 1 87 LEU HB3 4.000 . 5.000 4.793 4.572 5.007 0.007 6 0 "[ . 1 . 2]" 4
448 1 69 TYR HA 1 87 LEU QD 4.500 . 5.500 4.467 4.051 4.774 . 0 0 "[ . 1 . 2]" 4
449 1 69 TYR QD 1 87 LEU H 4.500 . 5.500 5.081 4.910 5.187 . 0 0 "[ . 1 . 2]" 4
450 1 69 TYR QE 1 87 LEU H 4.500 . 5.500 5.562 5.523 5.595 0.095 6 0 "[ . 1 . 2]" 4
451 1 69 TYR H 1 87 LEU QD 4.500 . 5.500 5.152 4.533 5.286 . 0 0 "[ . 1 . 2]" 4
452 1 69 TYR QD 1 87 LEU HB2 4.500 . 5.500 3.538 3.383 3.820 . 0 0 "[ . 1 . 2]" 4
453 1 69 TYR QD 1 87 LEU QD 5.000 . 5.000 3.116 2.827 3.289 . 0 0 "[ . 1 . 2]" 4
454 1 69 TYR HB2 1 88 GLU H 4.000 . 5.000 5.117 5.024 5.147 0.147 12 0 "[ . 1 . 2]" 4
455 1 69 TYR HB3 1 88 GLU H 4.000 . 5.000 3.402 3.309 3.448 . 0 0 "[ . 1 . 2]" 4
456 1 69 TYR QD 1 88 GLU H 4.500 . 5.500 2.904 2.779 3.031 . 0 0 "[ . 1 . 2]" 4
457 1 69 TYR HA 1 89 PRO HB2 4.000 . 5.000 4.980 4.862 5.033 0.033 8 0 "[ . 1 . 2]" 4
458 1 69 TYR HA 1 89 PRO HA 3.500 . 4.000 2.308 2.156 2.368 . 0 0 "[ . 1 . 2]" 4
459 1 69 TYR HB2 1 89 PRO HA 5.000 . 6.000 4.498 4.389 4.650 . 0 0 "[ . 1 . 2]" 4
460 1 69 TYR HB3 1 89 PRO HA 5.000 . 6.000 4.203 4.067 4.348 . 0 0 "[ . 1 . 2]" 4
461 1 69 TYR HA 1 89 PRO HB3 4.000 . 5.000 4.515 4.328 4.605 . 0 0 "[ . 1 . 2]" 4
462 1 69 TYR HA 1 89 PRO QG 4.500 . 5.500 5.273 5.126 5.414 . 0 0 "[ . 1 . 2]" 4
463 1 69 TYR QD 1 89 PRO HA 3.500 . 4.000 3.023 2.937 3.089 . 0 0 "[ . 1 . 2]" 4
464 1 69 TYR QE 1 89 PRO HA 4.500 . 5.500 3.515 3.423 3.595 . 0 0 "[ . 1 . 2]" 4
465 1 69 TYR QE 1 89 PRO QD 4.500 . 5.500 1.975 1.845 2.056 . 0 0 "[ . 1 . 2]" 4
466 1 69 TYR QE 1 89 PRO QG 4.000 . 5.000 3.319 3.131 3.495 . 0 0 "[ . 1 . 2]" 4
467 1 69 TYR HA 1 90 LYS HG3 4.000 . 5.000 2.502 2.350 2.681 . 0 0 "[ . 1 . 2]" 4
468 1 69 TYR HA 1 90 LYS HB3 4.500 . 5.500 5.374 5.227 5.530 0.030 8 0 "[ . 1 . 2]" 4
469 1 69 TYR HA 1 90 LYS HD3 4.000 . 5.000 4.327 3.943 4.722 . 0 0 "[ . 1 . 2]" 4
470 1 69 TYR HA 1 90 LYS HG2 4.000 . 5.000 4.034 3.903 4.367 . 0 0 "[ . 1 . 2]" 4
471 1 69 TYR HA 1 90 LYS H 4.000 . 5.000 3.067 2.638 3.376 . 0 0 "[ . 1 . 2]" 4
472 1 69 TYR QD 1 90 LYS H 4.500 . 5.500 4.453 4.319 4.748 . 0 0 "[ . 1 . 2]" 4
473 1 69 TYR QE 1 90 LYS H 4.500 . 5.500 5.043 4.777 5.236 . 0 0 "[ . 1 . 2]" 4
474 1 69 TYR HA 1 91 GLN H 4.000 . 5.000 5.142 5.071 5.196 0.196 8 0 "[ . 1 . 2]" 4
475 1 69 TYR QD 1 91 GLN H 5.000 . 6.000 5.774 5.498 5.965 . 0 0 "[ . 1 . 2]" 4
476 1 69 TYR QD 1 97 VAL H 4.500 . 5.500 4.837 4.614 5.043 . 0 0 "[ . 1 . 2]" 4
477 1 69 TYR QE 1 97 VAL H 4.500 . 5.500 4.170 3.976 4.392 . 0 0 "[ . 1 . 2]" 4
478 1 69 TYR QE 1 97 VAL MG2 4.000 . 5.000 3.117 2.862 3.322 . 0 0 "[ . 1 . 2]" 4
479 1 69 TYR HB2 1 118 THR MG 5.500 . 6.500 2.695 2.022 4.183 . 0 0 "[ . 1 . 2]" 4
480 1 70 ASN HA 1 87 LEU QD 4.500 . 5.500 4.191 3.876 4.515 . 0 0 "[ . 1 . 2]" 4
481 1 70 ASN H 1 87 LEU HB3 4.000 . 5.000 3.854 3.699 3.989 . 0 0 "[ . 1 . 2]" 4
482 1 70 ASN H 1 87 LEU QD 4.500 . 5.500 3.376 3.017 3.774 . 0 0 "[ . 1 . 2]" 4
483 1 70 ASN HB2 1 88 GLU HB2 3.500 . 4.000 1.767 1.730 1.855 0.070 14 0 "[ . 1 . 2]" 4
484 1 70 ASN HB2 1 88 GLU HG2 5.000 . 6.000 4.629 4.515 4.831 . 0 0 "[ . 1 . 2]" 4
485 1 70 ASN HB2 1 88 GLU HG3 5.000 . 6.000 3.586 3.418 3.903 . 0 0 "[ . 1 . 2]" 4
486 1 70 ASN HB3 1 88 GLU HB2 4.000 . 5.000 3.375 3.240 3.427 . 0 0 "[ . 1 . 2]" 4
487 1 70 ASN HB3 1 88 GLU HB3 4.000 . 5.000 5.010 4.849 5.052 0.052 11 0 "[ . 1 . 2]" 4
488 1 70 ASN HB2 1 88 GLU HB3 3.500 . 4.000 3.417 3.381 3.449 . 0 0 "[ . 1 . 2]" 4
489 1 70 ASN HB2 1 88 GLU H 4.000 . 5.000 2.987 2.843 3.226 . 0 0 "[ . 1 . 2]" 4
490 1 70 ASN HB3 1 88 GLU H 4.000 . 5.000 4.229 4.103 4.330 . 0 0 "[ . 1 . 2]" 4
491 1 70 ASN H 1 88 GLU HA 4.000 . 5.000 4.151 4.037 4.254 . 0 0 "[ . 1 . 2]" 4
492 1 70 ASN HD22 1 88 GLU QB 4.000 . 5.000 4.105 3.899 4.528 . 0 0 "[ . 1 . 2]" 4
493 1 70 ASN HD21 1 88 GLU QB 4.000 . 5.000 2.669 2.445 3.057 . 0 0 "[ . 1 . 2]" 4
494 1 70 ASN H 1 88 GLU QB 4.000 . 5.000 3.126 2.995 3.258 . 0 0 "[ . 1 . 2]" 4
495 1 70 ASN H 1 89 PRO HA 4.000 . 5.000 4.144 3.879 4.259 . 0 0 "[ . 1 . 2]" 4
496 1 70 ASN HD22 1 90 LYS HB3 4.000 . 5.000 4.271 4.026 4.497 . 0 0 "[ . 1 . 2]" 4
497 1 70 ASN H 1 90 LYS H 4.500 . 5.500 5.323 4.853 5.546 0.046 14 0 "[ . 1 . 2]" 4
498 1 70 ASN HD22 1 90 LYS HA 4.000 . 5.000 4.359 3.796 4.917 . 0 0 "[ . 1 . 2]" 4
499 1 70 ASN HD21 1 90 LYS HA 4.000 . 5.000 4.753 4.356 5.036 0.036 16 0 "[ . 1 . 2]" 4
500 1 70 ASN HD22 1 90 LYS HG3 4.000 . 5.000 3.252 2.723 3.823 . 0 0 "[ . 1 . 2]" 4
501 1 70 ASN HD21 1 90 LYS HG3 4.000 . 5.000 3.714 2.860 4.662 . 0 0 "[ . 1 . 2]" 4
502 1 70 ASN H 1 90 LYS HG3 4.000 . 5.000 4.091 3.926 4.274 . 0 0 "[ . 1 . 2]" 4
503 1 70 ASN HD22 1 90 LYS HG2 4.000 . 5.000 2.096 1.772 2.414 0.028 12 0 "[ . 1 . 2]" 4
504 1 70 ASN HD21 1 90 LYS HG2 4.000 . 5.000 3.043 2.480 3.704 . 0 0 "[ . 1 . 2]" 4
505 1 70 ASN H 1 90 LYS HG2 4.000 . 5.000 5.013 5.001 5.041 0.041 6 0 "[ . 1 . 2]" 4
506 1 70 ASN HA 1 118 THR HA 5.000 . 6.000 5.698 5.085 6.029 0.029 11 0 "[ . 1 . 2]" 4
507 1 70 ASN HA 1 118 THR HB 4.000 . 5.000 3.423 2.724 4.361 . 0 0 "[ . 1 . 2]" 4
508 1 70 ASN HA 1 118 THR MG 4.500 . 5.500 4.190 3.095 4.614 . 0 0 "[ . 1 . 2]" 4
509 1 71 VAL QG 1 85 PHE HB3 3.500 . 4.000 2.685 2.523 3.613 . 0 0 "[ . 1 . 2]" 4
510 1 71 VAL QG 1 85 PHE HB2 4.000 . 5.000 3.968 3.743 4.791 . 0 0 "[ . 1 . 2]" 4
511 1 71 VAL QG 1 85 PHE HA 5.500 . 6.500 4.221 4.044 4.786 . 0 0 "[ . 1 . 2]" 4
512 1 71 VAL QG 1 85 PHE QD . . 4.000 1.936 1.815 2.321 . 0 0 "[ . 1 . 2]" 4
513 1 71 VAL QG 1 85 PHE QE 5.000 . 6.000 3.117 2.978 3.265 . 0 0 "[ . 1 . 2]" 4
514 1 71 VAL HA 1 86 ILE H 4.000 . 5.000 4.529 3.959 4.813 . 0 0 "[ . 1 . 2]" 4
515 1 71 VAL QG 1 87 LEU HG 4.500 . 5.500 3.630 3.201 4.244 . 0 0 "[ . 1 . 2]" 4
516 1 71 VAL QG 1 87 LEU QD 3.500 . 4.000 1.875 1.768 2.572 0.032 8 0 "[ . 1 . 2]" 4
517 1 71 VAL HB 1 87 LEU HA 5.000 . 6.000 5.558 3.808 5.807 . 0 0 "[ . 1 . 2]" 4
518 1 71 VAL HA 1 87 LEU HA 3.500 . 4.000 2.852 2.468 2.989 . 0 0 "[ . 1 . 2]" 4
519 1 71 VAL QG 1 87 LEU HA 4.000 . 5.000 3.586 3.460 4.055 . 0 0 "[ . 1 . 2]" 4
520 1 71 VAL HA 1 87 LEU QD 3.500 . 4.000 2.346 2.100 2.485 . 0 0 "[ . 1 . 2]" 4
521 1 71 VAL HA 1 87 LEU H 4.000 . 5.000 5.042 4.636 5.131 0.131 12 0 "[ . 1 . 2]" 4
522 1 71 VAL HA 1 88 GLU H 4.000 . 5.000 3.991 3.604 4.113 . 0 0 "[ . 1 . 2]" 4
523 1 71 VAL H 1 88 GLU H 4.000 . 5.000 4.754 4.580 4.807 . 0 0 "[ . 1 . 2]" 4
524 1 71 VAL QG 1 111 PHE HA 4.500 . 5.500 3.913 3.693 4.366 . 0 0 "[ . 1 . 2]" 4
525 1 71 VAL QG 1 111 PHE HB2 5.500 . 6.500 4.776 4.539 5.119 . 0 0 "[ . 1 . 2]" 4
526 1 71 VAL QG 1 112 GLN HA 5.500 . 6.500 4.701 4.183 4.883 . 0 0 "[ . 1 . 2]" 4
527 1 71 VAL HA 1 114 ILE MD 5.500 . 6.500 6.010 5.699 6.333 . 0 0 "[ . 1 . 2]" 4
528 1 71 VAL HA 1 114 ILE MG 5.500 . 6.500 4.511 4.321 4.871 . 0 0 "[ . 1 . 2]" 4
529 1 71 VAL HB 1 114 ILE MG 4.000 . 5.000 4.209 2.535 4.562 . 0 0 "[ . 1 . 2]" 4
530 1 71 VAL QG 1 114 ILE MD 4.500 . 5.500 3.592 3.506 4.029 . 0 0 "[ . 1 . 2]" 4
531 1 71 VAL QG 1 114 ILE MG 4.000 . 5.000 1.982 1.885 2.149 . 0 0 "[ . 1 . 2]" 4
532 1 71 VAL HB 1 114 ILE HB 4.500 . 5.500 5.397 4.089 5.545 0.045 20 0 "[ . 1 . 2]" 4
533 1 71 VAL QG 1 114 ILE HB 4.000 . 5.000 3.029 2.822 3.446 . 0 0 "[ . 1 . 2]" 4
534 1 71 VAL QG 1 114 ILE HG12 4.500 . 5.500 4.806 4.720 5.169 . 0 0 "[ . 1 . 2]" 4
535 1 71 VAL QG 1 115 ARG HD3 4.000 . 5.000 3.535 2.926 4.125 . 0 0 "[ . 1 . 2]" 4
536 1 71 VAL QG 1 115 ARG HD2 4.000 . 5.000 3.568 3.196 3.897 . 0 0 "[ . 1 . 2]" 4
537 1 71 VAL QG 1 115 ARG HA 4.000 . 5.000 2.363 2.107 2.663 . 0 0 "[ . 1 . 2]" 4
538 1 71 VAL QG 1 115 ARG QB 3.500 . 4.000 3.197 2.138 3.412 . 0 0 "[ . 1 . 2]" 4
539 1 71 VAL QG 1 115 ARG QG 3.500 . 4.000 2.118 1.803 3.532 . 0 0 "[ . 1 . 2]" 4
540 1 71 VAL QG 1 116 GLU H 4.500 . 5.500 4.770 4.455 5.031 . 0 0 "[ . 1 . 2]" 4
541 1 71 VAL QG 1 118 THR MG 4.500 . 5.500 2.984 1.933 3.331 . 0 0 "[ . 1 . 2]" 4
542 1 71 VAL QG 1 118 THR H 4.500 . 5.500 4.070 3.951 4.254 . 0 0 "[ . 1 . 2]" 4
543 1 72 VAL H 1 85 PHE HB3 4.500 . 5.500 3.802 3.676 3.871 . 0 0 "[ . 1 . 2]" 4
544 1 72 VAL H 1 85 PHE HB2 4.500 . 5.500 5.502 5.392 5.542 0.042 16 0 "[ . 1 . 2]" 4
545 1 72 VAL H 1 85 PHE QD 4.500 . 5.500 3.737 3.647 3.821 . 0 0 "[ . 1 . 2]" 4
546 1 72 VAL H 1 85 PHE QE 4.500 . 5.500 5.531 5.457 5.575 0.075 4 0 "[ . 1 . 2]" 4
547 1 72 VAL HB 1 86 ILE HB 3.500 . 4.000 4.075 4.033 4.128 0.128 5 0 "[ . 1 . 2]" 4
548 1 72 VAL MG2 1 86 ILE HB 3.500 . 4.000 1.802 1.782 1.844 0.018 18 0 "[ . 1 . 2]" 4
549 1 72 VAL MG1 1 86 ILE HB 4.000 . 5.000 4.458 4.384 4.515 . 0 0 "[ . 1 . 2]" 4
550 1 72 VAL HB 1 86 ILE MD 4.000 . 5.000 4.375 4.123 4.506 . 0 0 "[ . 1 . 2]" 4
551 1 72 VAL MG2 1 86 ILE HG13 4.000 . 5.000 3.406 3.269 3.588 . 0 0 "[ . 1 . 2]" 4
552 1 72 VAL HB 1 86 ILE H 4.000 . 5.000 4.219 4.074 4.346 . 0 0 "[ . 1 . 2]" 4
553 1 72 VAL H 1 86 ILE MD 4.500 . 5.500 5.438 5.236 5.528 0.028 10 0 "[ . 1 . 2]" 4
554 1 72 VAL H 1 87 LEU HA 4.000 . 5.000 4.001 3.831 4.108 . 0 0 "[ . 1 . 2]" 4
555 1 72 VAL MG2 1 88 GLU HB2 4.000 . 5.000 4.253 4.218 4.313 . 0 0 "[ . 1 . 2]" 4
556 1 72 VAL MG2 1 88 GLU HB3 4.000 . 5.000 5.042 4.977 5.074 0.074 12 0 "[ . 1 . 2]" 4
557 1 72 VAL MG2 1 88 GLU HG3 3.500 . 4.000 2.660 2.569 2.695 . 0 0 "[ . 1 . 2]" 4
558 1 72 VAL MG1 1 88 GLU HG3 3.500 . 4.000 3.934 3.736 4.035 0.035 5 0 "[ . 1 . 2]" 4
559 1 73 LYS HA 1 85 PHE HB2 4.000 . 5.000 4.708 4.641 4.770 . 0 0 "[ . 1 . 2]" 4
560 1 73 LYS HA 1 85 PHE HA 3.000 . 3.500 2.674 2.489 2.770 . 0 0 "[ . 1 . 2]" 4
561 1 73 LYS HB2 1 85 PHE HA 4.000 . 5.000 4.985 4.745 5.062 0.062 7 0 "[ . 1 . 2]" 4
562 1 73 LYS HB3 1 85 PHE HA 5.000 . 6.000 5.657 5.488 5.752 . 0 0 "[ . 1 . 2]" 4
563 1 73 LYS HA 1 85 PHE HB3 4.000 . 5.000 4.090 3.985 4.192 . 0 0 "[ . 1 . 2]" 4
564 1 73 LYS H 1 85 PHE HA 4.000 . 5.000 4.853 4.676 4.940 . 0 0 "[ . 1 . 2]" 4
565 1 73 LYS H 1 85 PHE QD 4.500 . 5.500 4.255 4.087 4.506 . 0 0 "[ . 1 . 2]" 4
566 1 73 LYS H 1 85 PHE QE 4.500 . 5.500 4.172 4.007 4.380 . 0 0 "[ . 1 . 2]" 4
567 1 73 LYS QG 1 85 PHE QD 3.500 . 4.000 3.703 3.591 3.800 . 0 0 "[ . 1 . 2]" 4
568 1 73 LYS HA 1 86 ILE H 4.000 . 5.000 4.053 3.940 4.145 . 0 0 "[ . 1 . 2]" 4
569 1 73 LYS HD3 1 107 LEU QD 4.000 . 5.000 4.146 3.782 4.816 . 0 0 "[ . 1 . 2]" 4
570 1 73 LYS QE 1 107 LEU QD 4.500 . 5.500 4.609 3.200 5.328 . 0 0 "[ . 1 . 2]" 4
571 1 73 LYS QG 1 111 PHE QD 4.500 . 5.500 5.569 5.505 5.603 0.103 17 0 "[ . 1 . 2]" 4
572 1 74 ALA MB 1 84 VAL HB 3.500 . 4.000 2.176 1.774 2.625 0.026 14 0 "[ . 1 . 2]" 4
573 1 74 ALA MB 1 84 VAL HA 5.500 . 6.500 4.121 3.811 4.394 . 0 0 "[ . 1 . 2]" 4
574 1 74 ALA MB 1 84 VAL MG2 3.500 . 4.000 3.643 3.327 4.005 0.005 5 0 "[ . 1 . 2]" 4
575 1 74 ALA MB 1 84 VAL MG1 3.500 . 4.000 2.425 2.192 2.790 . 0 0 "[ . 1 . 2]" 4
576 1 74 ALA MB 1 84 VAL H 4.000 . 5.000 3.184 2.723 3.591 . 0 0 "[ . 1 . 2]" 4
577 1 74 ALA H 1 84 VAL HB 4.000 . 5.000 4.256 3.840 4.541 . 0 0 "[ . 1 . 2]" 4
578 1 74 ALA MB 1 85 PHE HA 4.500 . 5.500 3.341 3.209 3.586 . 0 0 "[ . 1 . 2]" 4
579 1 74 ALA H 1 85 PHE HA 4.000 . 5.000 2.321 2.155 2.476 . 0 0 "[ . 1 . 2]" 4
580 1 74 ALA H 1 85 PHE HB3 4.000 . 5.000 4.780 4.642 4.932 . 0 0 "[ . 1 . 2]" 4
581 1 74 ALA H 1 85 PHE HB2 4.000 . 5.000 5.059 4.989 5.138 0.138 14 0 "[ . 1 . 2]" 4
582 1 74 ALA H 1 85 PHE QD 4.500 . 5.500 3.985 3.759 4.195 . 0 0 "[ . 1 . 2]" 4
583 1 74 ALA MB 1 86 ILE HB 4.500 . 5.500 4.160 3.798 4.512 . 0 0 "[ . 1 . 2]" 4
584 1 74 ALA MB 1 86 ILE MD 3.500 . 4.000 2.588 2.273 2.923 . 0 0 "[ . 1 . 2]" 4
585 1 74 ALA MB 1 86 ILE HG13 3.000 . 3.500 2.618 2.448 2.803 . 0 0 "[ . 1 . 2]" 4
586 1 74 ALA HA 1 86 ILE MD 4.500 . 5.500 4.350 4.195 4.533 . 0 0 "[ . 1 . 2]" 4
587 1 74 ALA MB 1 86 ILE HG12 4.000 . 5.000 3.885 3.648 4.091 . 0 0 "[ . 1 . 2]" 4
588 1 74 ALA H 1 86 ILE H 4.000 . 5.000 3.653 3.401 3.972 . 0 0 "[ . 1 . 2]" 4
589 1 74 ALA H 1 86 ILE MD 4.500 . 5.500 4.649 4.415 4.850 . 0 0 "[ . 1 . 2]" 4
590 1 75 PRO HD2 1 86 ILE MD 4.500 . 5.500 5.630 5.484 5.802 0.302 15 0 "[ . 1 . 2]" 4
591 1 77 GLY HA3 1 84 VAL HB 4.000 . 5.000 3.882 3.567 4.352 . 0 0 "[ . 1 . 2]" 4
592 1 77 GLY HA2 1 84 VAL HB 4.000 . 5.000 2.314 1.949 2.701 . 0 0 "[ . 1 . 2]" 4
593 1 77 GLY HA3 1 84 VAL MG2 4.000 . 5.000 2.906 2.547 3.657 . 0 0 "[ . 1 . 2]" 4
594 1 77 GLY HA2 1 84 VAL MG2 4.000 . 5.000 2.316 1.917 2.973 . 0 0 "[ . 1 . 2]" 4
595 1 77 GLY HA3 1 84 VAL MG1 4.500 . 5.500 4.906 4.606 5.236 . 0 0 "[ . 1 . 2]" 4
596 1 77 GLY HA2 1 84 VAL MG1 4.500 . 5.500 3.840 3.556 4.110 . 0 0 "[ . 1 . 2]" 4
597 1 77 GLY HA3 1 84 VAL H 4.000 . 5.000 4.461 3.833 5.196 0.196 2 0 "[ . 1 . 2]" 4
598 1 77 GLY H 1 84 VAL HB 4.000 . 5.000 4.052 3.768 4.287 . 0 0 "[ . 1 . 2]" 4
599 1 77 GLY H 1 84 VAL MG2 4.500 . 5.500 4.233 3.655 4.933 . 0 0 "[ . 1 . 2]" 4
600 1 77 GLY H 1 84 VAL MG1 4.500 . 5.500 5.341 5.088 5.523 0.023 20 0 "[ . 1 . 2]" 4
601 1 78 LYS HB3 1 84 VAL MG2 4.000 . 5.000 3.148 2.209 4.214 . 0 0 "[ . 1 . 2]" 4
602 1 78 LYS HB3 1 84 VAL MG1 3.500 . 4.000 3.150 2.431 4.011 0.011 14 0 "[ . 1 . 2]" 4
603 1 78 LYS HB2 1 84 VAL MG2 3.500 . 4.000 3.086 2.161 4.036 0.036 17 0 "[ . 1 . 2]" 4
604 1 78 LYS HB2 1 84 VAL MG1 3.500 . 4.000 2.694 1.901 3.485 . 0 0 "[ . 1 . 2]" 4
605 1 78 LYS QD 1 84 VAL MG1 3.500 . 4.000 3.545 2.356 4.063 0.063 5 0 "[ . 1 . 2]" 4
606 1 78 LYS HG3 1 84 VAL MG2 4.500 . 5.500 4.866 3.494 5.877 0.377 17 0 "[ . 1 . 2]" 4
607 1 78 LYS HA 1 84 VAL MG2 4.500 . 5.500 4.342 3.884 4.850 . 0 0 "[ . 1 . 2]" 4
608 1 78 LYS HA 1 84 VAL MG1 4.500 . 5.500 4.769 4.177 5.381 . 0 0 "[ . 1 . 2]" 4
609 1 78 LYS HE3 1 84 VAL MG1 4.500 . 5.500 4.190 2.898 5.493 . 0 0 "[ . 1 . 2]" 4
610 1 78 LYS H 1 84 VAL MG2 3.500 . 4.000 2.384 1.784 2.877 0.016 1 0 "[ . 1 . 2]" 4
611 1 78 LYS QD 1 86 ILE MD 3.000 . 3.500 2.874 1.781 3.586 0.086 12 0 "[ . 1 . 2]" 4
612 1 78 LYS HE2 1 86 ILE MD 4.500 . 5.500 3.297 1.997 4.538 . 0 0 "[ . 1 . 2]" 4
613 1 78 LYS HB3 1 86 ILE MD 4.500 . 5.500 4.879 4.224 5.482 . 0 0 "[ . 1 . 2]" 4
614 1 78 LYS HE3 1 86 ILE MD 4.500 . 5.500 3.129 1.861 5.383 . 0 0 "[ . 1 . 2]" 4
615 1 78 LYS HG3 1 86 ILE MD 4.500 . 5.500 4.468 2.448 5.296 . 0 0 "[ . 1 . 2]" 4
616 1 78 LYS HG2 1 86 ILE MD 4.500 . 5.500 4.653 2.525 5.539 0.039 13 0 "[ . 1 . 2]" 4
617 1 78 LYS H 1 100 ALA MB 4.500 . 5.500 5.218 4.309 5.553 0.053 2 0 "[ . 1 . 2]" 4
618 1 81 LYS HB2 1 100 ALA MB 4.000 . 5.000 3.537 3.160 4.000 . 0 0 "[ . 1 . 2]" 4
619 1 81 LYS HB3 1 100 ALA MB 4.000 . 5.000 2.990 2.731 3.336 . 0 0 "[ . 1 . 2]" 4
620 1 81 LYS HD3 1 100 ALA MB 4.000 . 5.000 3.685 3.370 4.051 . 0 0 "[ . 1 . 2]" 4
621 1 81 LYS HD2 1 100 ALA MB 3.500 . 4.000 2.239 1.804 2.615 . 0 0 "[ . 1 . 2]" 4
622 1 81 LYS QE 1 100 ALA MB 4.000 . 5.000 2.467 2.221 2.713 . 0 0 "[ . 1 . 2]" 4
623 1 81 LYS HG3 1 100 ALA MB 3.500 . 4.000 2.246 2.046 2.542 . 0 0 "[ . 1 . 2]" 4
624 1 81 LYS HA 1 100 ALA MB 4.500 . 5.500 4.621 4.502 4.873 . 0 0 "[ . 1 . 2]" 4
625 1 81 LYS HD2 1 101 THR H 4.000 . 5.000 4.027 3.424 4.538 . 0 0 "[ . 1 . 2]" 4
626 1 82 SER H 1 100 ALA MB 4.500 . 5.500 4.472 4.126 4.765 . 0 0 "[ . 1 . 2]" 4
627 1 83 PHE H 1 100 ALA MB 4.500 . 5.500 4.397 3.986 4.707 . 0 0 "[ . 1 . 2]" 4
628 1 83 PHE HB3 1 101 THR H 4.000 . 5.000 5.024 5.005 5.058 0.058 5 0 "[ . 1 . 2]" 4
629 1 83 PHE HB2 1 101 THR H 4.000 . 5.000 3.599 3.541 3.651 . 0 0 "[ . 1 . 2]" 4
630 1 83 PHE QD 1 101 THR H 4.500 . 5.500 4.506 4.343 4.665 . 0 0 "[ . 1 . 2]" 4
631 1 83 PHE QD 1 103 ARG H 4.500 . 5.500 4.669 4.517 4.936 . 0 0 "[ . 1 . 2]" 4
632 1 83 PHE QE 1 103 ARG H 4.500 . 5.500 5.544 5.531 5.555 0.055 11 0 "[ . 1 . 2]" 4
633 1 83 PHE HA 1 104 VAL QG 5.500 . 6.500 6.481 6.189 6.553 0.053 4 0 "[ . 1 . 2]" 4
634 1 83 PHE QD 1 104 VAL H 4.500 . 5.500 5.499 5.377 5.539 0.039 12 0 "[ . 1 . 2]" 4
635 1 83 PHE QE 1 104 VAL H 4.500 . 5.500 4.872 4.600 4.971 . 0 0 "[ . 1 . 2]" 4
636 1 83 PHE QD 1 104 VAL MG2 4.500 . 5.500 4.955 4.093 6.089 0.589 19 2 "[ . 1 -. +2]" 4
637 1 83 PHE QE 1 104 VAL MG2 4.500 . 5.500 4.362 2.906 5.432 . 0 0 "[ . 1 . 2]" 4
638 1 83 PHE HB2 1 107 LEU QD 4.000 . 5.000 2.018 1.823 2.287 . 0 0 "[ . 1 . 2]" 4
639 1 83 PHE HB3 1 107 LEU HB3 4.000 . 5.000 4.767 4.487 4.831 . 0 0 "[ . 1 . 2]" 4
640 1 83 PHE HB2 1 107 LEU HB3 4.000 . 5.000 5.275 5.016 5.472 0.472 6 0 "[ . 1 . 2]" 4
641 1 83 PHE HB3 1 107 LEU HB2 5.000 . 6.000 4.176 3.939 4.332 . 0 0 "[ . 1 . 2]" 4
642 1 83 PHE HB2 1 107 LEU HB2 4.000 . 5.000 4.121 3.942 4.248 . 0 0 "[ . 1 . 2]" 4
643 1 83 PHE HB3 1 107 LEU QD 4.000 . 5.000 1.884 1.743 2.056 0.057 6 0 "[ . 1 . 2]" 4
644 1 83 PHE HA 1 107 LEU QD 3.500 . 4.000 3.426 3.329 3.510 . 0 0 "[ . 1 . 2]" 4
645 1 83 PHE QD 1 107 LEU QD 5.000 . 6.000 2.991 2.836 3.218 . 0 0 "[ . 1 . 2]" 4
646 1 84 VAL MG2 1 98 GLU HB3 4.000 . 5.000 4.001 3.891 4.099 . 0 0 "[ . 1 . 2]" 4
647 1 84 VAL MG2 1 98 GLU HB2 4.500 . 5.500 5.337 5.199 5.446 . 0 0 "[ . 1 . 2]" 4
648 1 84 VAL MG2 1 98 GLU HG3 4.000 . 5.000 5.049 5.021 5.070 0.070 14 0 "[ . 1 . 2]" 4
649 1 84 VAL MG2 1 98 GLU HG2 4.000 . 5.000 5.018 4.974 5.052 0.052 11 0 "[ . 1 . 2]" 4
650 1 84 VAL MG1 1 98 GLU HB3 4.000 . 5.000 2.609 2.468 2.757 . 0 0 "[ . 1 . 2]" 4
651 1 84 VAL MG1 1 98 GLU HB2 4.500 . 5.500 4.052 3.901 4.204 . 0 0 "[ . 1 . 2]" 4
652 1 84 VAL MG1 1 98 GLU HG3 4.000 . 5.000 3.036 2.927 3.133 . 0 0 "[ . 1 . 2]" 4
653 1 84 VAL MG1 1 98 GLU HG2 3.500 . 4.000 3.531 3.371 3.633 . 0 0 "[ . 1 . 2]" 4
654 1 84 VAL MG1 1 99 PHE H 4.000 . 5.000 2.469 2.393 2.579 . 0 0 "[ . 1 . 2]" 4
655 1 84 VAL HA 1 100 ALA MB 4.000 . 5.000 3.236 2.935 3.476 . 0 0 "[ . 1 . 2]" 4
656 1 84 VAL HB 1 100 ALA MB 4.500 . 5.500 4.704 4.427 4.932 . 0 0 "[ . 1 . 2]" 4
657 1 84 VAL MG2 1 100 ALA MB 3.500 . 4.000 2.028 1.795 2.245 0.005 5 0 "[ . 1 . 2]" 4
658 1 84 VAL MG1 1 100 ALA MB 4.000 . 5.000 3.351 3.071 3.526 . 0 0 "[ . 1 . 2]" 4
659 1 84 VAL HA 1 100 ALA HA 3.000 . 3.500 2.808 2.729 2.861 . 0 0 "[ . 1 . 2]" 4
660 1 84 VAL HB 1 100 ALA HA 5.000 . 6.000 5.576 5.405 5.693 . 0 0 "[ . 1 . 2]" 4
661 1 84 VAL MG2 1 100 ALA HA 4.000 . 5.000 3.256 2.982 3.474 . 0 0 "[ . 1 . 2]" 4
662 1 84 VAL MG1 1 100 ALA HA 4.000 . 5.000 4.056 3.872 4.133 . 0 0 "[ . 1 . 2]" 4
663 1 84 VAL HA 1 100 ALA H 4.000 . 5.000 5.027 4.936 5.087 0.087 4 0 "[ . 1 . 2]" 4
664 1 84 VAL HA 1 101 THR H 4.000 . 5.000 4.512 4.424 4.602 . 0 0 "[ . 1 . 2]" 4
665 1 84 VAL HA 1 107 LEU QD 4.000 . 5.000 3.668 3.557 3.744 . 0 0 "[ . 1 . 2]" 4
666 1 85 PHE QD 1 99 PHE H 4.500 . 5.500 5.450 5.338 5.578 0.078 20 0 "[ . 1 . 2]" 4
667 1 85 PHE H 1 100 ALA HA 4.000 . 5.000 3.890 3.709 3.995 . 0 0 "[ . 1 . 2]" 4
668 1 85 PHE HA 1 107 LEU QD 4.500 . 5.500 5.166 4.997 5.250 . 0 0 "[ . 1 . 2]" 4
669 1 85 PHE HB2 1 107 LEU QD 4.000 . 5.000 4.345 4.168 4.482 . 0 0 "[ . 1 . 2]" 4
670 1 85 PHE HB3 1 111 PHE HA 4.500 . 5.500 5.264 5.136 5.461 . 0 0 "[ . 1 . 2]" 4
671 1 85 PHE HB2 1 111 PHE HA 4.000 . 5.000 5.119 5.065 5.207 0.207 5 0 "[ . 1 . 2]" 4
672 1 86 ILE MG 1 96 PRO HB2 4.000 . 5.000 2.459 2.203 2.973 . 0 0 "[ . 1 . 2]" 4
673 1 86 ILE MG 1 96 PRO HA 4.500 . 5.500 3.984 3.854 4.116 . 0 0 "[ . 1 . 2]" 4
674 1 86 ILE HA 1 98 GLU HG3 4.500 . 5.500 3.619 3.293 3.832 . 0 0 "[ . 1 . 2]" 4
675 1 86 ILE HA 1 98 GLU HG2 4.500 . 5.500 5.312 5.004 5.505 0.005 11 0 "[ . 1 . 2]" 4
676 1 86 ILE MD 1 98 GLU HB3 5.500 . 6.500 4.880 4.735 5.073 . 0 0 "[ . 1 . 2]" 4
677 1 86 ILE MD 1 98 GLU HG3 4.000 . 5.000 3.023 2.862 3.209 . 0 0 "[ . 1 . 2]" 4
678 1 86 ILE HB 1 98 GLU HA 4.000 . 5.000 5.076 5.021 5.145 0.145 6 0 "[ . 1 . 2]" 4
679 1 86 ILE MD 1 98 GLU HA 4.000 . 5.000 4.518 4.365 4.772 . 0 0 "[ . 1 . 2]" 4
680 1 86 ILE HG13 1 98 GLU HA 3.500 . 4.000 4.007 3.964 4.033 0.033 6 0 "[ . 1 . 2]" 4
681 1 86 ILE MG 1 98 GLU HA 3.500 . 4.000 3.341 3.228 3.542 . 0 0 "[ . 1 . 2]" 4
682 1 86 ILE HG12 1 98 GLU HG3 3.500 . 4.000 1.810 1.760 1.929 0.040 6 0 "[ . 1 . 2]" 4
683 1 86 ILE HG13 1 98 GLU HG3 3.500 . 4.000 3.309 3.080 3.483 . 0 0 "[ . 1 . 2]" 4
684 1 86 ILE MD 1 98 GLU HG2 3.500 . 4.000 3.909 3.744 4.009 0.009 8 0 "[ . 1 . 2]" 4
685 1 86 ILE HG12 1 98 GLU HG2 3.500 . 4.000 3.479 3.308 3.641 . 0 0 "[ . 1 . 2]" 4
686 1 86 ILE HG12 1 98 GLU HA 3.000 . 3.500 2.966 2.797 3.264 . 0 0 "[ . 1 . 2]" 4
687 1 87 LEU HB3 1 97 VAL HB 3.500 . 4.000 3.887 3.600 4.013 0.013 20 0 "[ . 1 . 2]" 4
688 1 87 LEU QD 1 97 VAL HB 4.000 . 5.000 2.751 2.235 3.127 . 0 0 "[ . 1 . 2]" 4
689 1 87 LEU QD 1 97 VAL MG2 4.000 . 5.000 3.527 3.257 4.153 . 0 0 "[ . 1 . 2]" 4
690 1 87 LEU HB2 1 97 VAL MG1 5.500 . 6.500 3.952 3.799 4.041 . 0 0 "[ . 1 . 2]" 4
691 1 87 LEU QD 1 97 VAL MG1 5.000 . 6.000 3.355 3.029 3.555 . 0 0 "[ . 1 . 2]" 4
692 1 87 LEU HB3 1 97 VAL H 4.000 . 5.000 4.050 3.763 4.326 . 0 0 "[ . 1 . 2]" 4
693 1 87 LEU QD 1 97 VAL H 4.500 . 5.500 4.286 4.005 4.582 . 0 0 "[ . 1 . 2]" 4
694 1 87 LEU H 1 97 VAL H 4.000 . 5.000 2.671 2.561 2.826 . 0 0 "[ . 1 . 2]" 4
695 1 87 LEU H 1 97 VAL MG1 4.500 . 5.500 4.432 4.285 4.607 . 0 0 "[ . 1 . 2]" 4
696 1 87 LEU H 1 99 PHE H 4.000 . 5.000 5.060 5.033 5.096 0.096 19 0 "[ . 1 . 2]" 4
697 1 87 LEU HB2 1 99 PHE QE 4.000 . 5.000 2.876 2.428 3.859 . 0 0 "[ . 1 . 2]" 4
698 1 87 LEU QD 1 99 PHE QE 4.500 . 5.500 2.035 1.851 2.197 . 0 0 "[ . 1 . 2]" 4
699 1 87 LEU QD 1 99 PHE HZ 4.500 . 5.500 2.573 2.147 3.790 . 0 0 "[ . 1 . 2]" 4
700 1 87 LEU QD 1 99 PHE QD 4.000 . 5.000 3.475 2.399 3.742 . 0 0 "[ . 1 . 2]" 4
701 1 87 LEU HG 1 99 PHE QD 4.500 . 5.500 3.407 3.174 4.803 . 0 0 "[ . 1 . 2]" 4
702 1 87 LEU QD 1 111 PHE QE 5.000 . 6.000 4.560 3.770 4.848 . 0 0 "[ . 1 . 2]" 4
703 1 87 LEU HA 1 114 ILE MD 5.500 . 6.500 6.199 6.019 6.328 . 0 0 "[ . 1 . 2]" 4
704 1 87 LEU QD 1 114 ILE HB 4.500 . 5.500 3.943 3.700 4.188 . 0 0 "[ . 1 . 2]" 4
705 1 87 LEU QD 1 118 THR MG 4.500 . 5.500 3.087 2.701 3.765 . 0 0 "[ . 1 . 2]" 4
706 1 88 GLU HA 1 96 PRO HB3 4.000 . 5.000 3.142 3.009 3.619 . 0 0 "[ . 1 . 2]" 4
707 1 88 GLU HA 1 96 PRO HB2 4.000 . 5.000 4.324 4.132 4.831 . 0 0 "[ . 1 . 2]" 4
708 1 88 GLU HB3 1 96 PRO HA 4.500 . 5.500 5.525 5.427 5.565 0.065 5 0 "[ . 1 . 2]" 4
709 1 88 GLU HA 1 96 PRO HA 3.500 . 4.000 3.225 3.157 3.313 . 0 0 "[ . 1 . 2]" 4
710 1 88 GLU HG2 1 96 PRO HA 4.000 . 5.000 4.767 4.620 4.834 . 0 0 "[ . 1 . 2]" 4
711 1 89 PRO QD 1 96 PRO HA 3.000 . 3.500 2.313 2.223 2.564 . 0 0 "[ . 1 . 2]" 4
712 1 89 PRO QD 1 96 PRO HB3 4.000 . 5.000 3.092 2.949 3.472 . 0 0 "[ . 1 . 2]" 4
713 1 89 PRO QD 1 96 PRO HB2 3.500 . 4.000 4.252 4.146 4.525 0.525 18 1 "[ . 1 . + 2]" 4
714 1 89 PRO QD 1 97 VAL MG2 5.500 . 6.500 3.945 3.664 4.075 . 0 0 "[ . 1 . 2]" 4
715 1 97 VAL MG1 1 114 ILE MD 4.500 . 5.500 5.568 5.538 5.599 0.099 13 0 "[ . 1 . 2]" 4
716 1 100 ALA MB 1 107 LEU QD 4.500 . 5.500 4.274 4.001 4.503 . 0 0 "[ . 1 . 2]" 4
717 1 100 ALA HA 1 107 LEU QD 4.500 . 5.500 3.522 3.278 3.721 . 0 0 "[ . 1 . 2]" 4
718 1 101 THR MG 1 107 LEU HB3 4.500 . 5.500 4.437 4.190 4.682 . 0 0 "[ . 1 . 2]" 4
719 1 101 THR MG 1 107 LEU HB2 4.500 . 5.500 3.386 3.116 3.662 . 0 0 "[ . 1 . 2]" 4
720 1 101 THR MG 1 107 LEU HG 4.500 . 5.500 4.152 3.899 4.644 . 0 0 "[ . 1 . 2]" 4
721 1 101 THR MG 1 107 LEU HA 3.000 . 3.500 2.137 1.895 2.423 . 0 0 "[ . 1 . 2]" 4
722 1 101 THR HB 1 107 LEU H 4.000 . 5.000 4.006 3.718 4.178 . 0 0 "[ . 1 . 2]" 4
723 1 101 THR HG1 1 107 LEU H 4.000 . 5.000 2.950 2.734 3.081 . 0 0 "[ . 1 . 2]" 4
724 1 101 THR HG1 1 108 PHE H 4.000 . 5.000 4.941 4.789 5.011 0.011 14 0 "[ . 1 . 2]" 4
725 1 101 THR MG 1 110 TRP HB2 4.000 . 5.000 3.285 2.981 3.552 . 0 0 "[ . 1 . 2]" 4
726 1 101 THR MG 1 110 TRP HE1 4.500 . 5.500 5.438 5.108 5.540 0.040 14 0 "[ . 1 . 2]" 4
727 1 101 THR MG 1 110 TRP HD1 4.500 . 5.500 3.880 3.412 4.161 . 0 0 "[ . 1 . 2]" 4
728 1 101 THR MG 1 111 PHE QE 4.500 . 5.500 2.370 1.930 3.121 . 0 0 "[ . 1 . 2]" 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 9
_Distance_constraint_stats_list.Viol_count 26
_Distance_constraint_stats_list.Viol_total 11.769
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0226
_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 28 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.298 0.052 4 0 "[ . 1 . 2]"
1 73 LYS 0.291 0.037 14 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 0.291 0.037 14 0 "[ . 1 . 2]"
1 85 PHE 0.291 0.037 14 0 "[ . 1 . 2]"
1 87 LEU 0.298 0.052 4 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ILE 0.298 0.052 4 0 "[ . 1 . 2]"
1 115 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 38 ALA HA 1 66 LEU HB2 4.500 . 5.500 4.273 3.841 4.558 . 0 0 "[ . 1 . 2]" 5
2 1 29 THR HB 1 45 ASP HB2 4.000 . 5.000 3.960 3.454 4.383 . 0 0 "[ . 1 . 2]" 5
3 1 29 THR HB 1 45 ASP HB3 4.000 . 5.000 3.643 3.209 4.356 . 0 0 "[ . 1 . 2]" 5
4 1 71 VAL HB 1 114 ILE MD 3.500 . 4.000 3.973 3.590 4.052 0.052 4 0 "[ . 1 . 2]" 5
5 1 28 TRP HE1 1 78 LYS HB2 4.000 . 5.000 3.331 2.744 4.049 . 0 0 "[ . 1 . 2]" 5
6 1 73 LYS H 1 83 PHE QE 4.500 . 5.500 5.487 5.286 5.537 0.037 14 0 "[ . 1 . 2]" 5
7 1 113 SER H 1 114 ILE HB 4.000 . 5.000 4.233 4.135 4.280 . 0 0 "[ . 1 . 2]" 5
8 1 42 PHE QD 1 87 LEU QD 5.000 . 6.000 5.487 5.155 5.808 . 0 0 "[ . 1 . 2]" 5
9 1 35 ILE MD 1 110 TRP HZ3 4.500 . 5.500 2.116 1.871 2.318 . 0 0 "[ . 1 . 2]" 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 70
_Distance_constraint_stats_list.Viol_count 326
_Distance_constraint_stats_list.Viol_total 303.701
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0466
_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 14 GLN 0.060 0.021 10 0 "[ . 1 . 2]"
1 16 GLY 0.340 0.042 19 0 "[ . 1 . 2]"
1 18 LEU 0.183 0.059 8 0 "[ . 1 . 2]"
1 19 TYR 0.073 0.018 12 0 "[ . 1 . 2]"
1 21 TRP 0.075 0.030 11 0 "[ . 1 . 2]"
1 22 ASP 2.183 0.191 15 0 "[ . 1 . 2]"
1 27 LYS 2.183 0.191 15 0 "[ . 1 . 2]"
1 31 HIS 0.183 0.059 8 0 "[ . 1 . 2]"
1 32 TYR 0.166 0.052 6 0 "[ . 1 . 2]"
1 33 CYS 0.340 0.042 19 0 "[ . 1 . 2]"
1 34 ALA 0.021 0.021 3 0 "[ . 1 . 2]"
1 35 ILE 0.060 0.021 10 0 "[ . 1 . 2]"
1 36 ALA 0.162 0.076 16 0 "[ . 1 . 2]"
1 39 LYS 0.162 0.076 16 0 "[ . 1 . 2]"
1 40 LEU 0.850 0.109 13 0 "[ . 1 . 2]"
1 41 SER 0.021 0.021 3 0 "[ . 1 . 2]"
1 42 PHE 0.031 0.012 10 0 "[ . 1 . 2]"
1 43 SER 0.166 0.052 6 0 "[ . 1 . 2]"
1 62 GLY 0.031 0.012 10 0 "[ . 1 . 2]"
1 64 LEU 0.850 0.109 13 0 "[ . 1 . 2]"
1 68 THR 0.387 0.077 8 0 "[ . 1 . 2]"
1 70 ASN 1.373 0.120 6 0 "[ . 1 . 2]"
1 72 VAL 0.005 0.005 11 0 "[ . 1 . 2]"
1 74 ALA 3.368 0.173 9 0 "[ . 1 . 2]"
1 84 VAL 3.368 0.173 9 0 "[ . 1 . 2]"
1 85 PHE 0.080 0.023 13 0 "[ . 1 . 2]"
1 86 ILE 0.005 0.005 11 0 "[ . 1 . 2]"
1 87 LEU 0.566 0.048 18 0 "[ . 1 . 2]"
1 88 GLU 1.373 0.120 6 0 "[ . 1 . 2]"
1 90 LYS 0.387 0.077 8 0 "[ . 1 . 2]"
1 97 VAL 0.566 0.048 18 0 "[ . 1 . 2]"
1 98 GLU 0.075 0.030 11 0 "[ . 1 . 2]"
1 99 PHE 0.080 0.023 13 0 "[ . 1 . 2]"
1 100 ALA 0.073 0.018 12 0 "[ . 1 . 2]"
1 104 VAL 0.005 0.005 9 0 "[ . 1 . 2]"
1 105 GLU 0.130 0.082 7 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.151 0.113 20 0 "[ . 1 . 2]"
1 108 PHE 1.596 0.155 2 0 "[ . 1 . 2]"
1 109 GLU 2.882 0.169 9 0 "[ . 1 . 2]"
1 110 TRP 0.065 0.053 20 0 "[ . 1 . 2]"
1 111 PHE 0.156 0.113 20 0 "[ . 1 . 2]"
1 112 GLN 2.156 0.155 2 0 "[ . 1 . 2]"
1 113 SER 2.753 0.169 9 0 "[ . 1 . 2]"
1 114 ILE 0.065 0.053 20 0 "[ . 1 . 2]"
1 115 ARG 0.005 0.005 18 0 "[ . 1 . 2]"
1 116 GLU 0.565 0.080 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 104 VAL O 1 108 PHE N 2.800 2.800 3.300 3.152 2.965 3.269 . 0 0 "[ . 1 . 2]" 6
2 1 104 VAL O 1 108 PHE H 1.800 . 2.300 2.185 1.992 2.305 0.005 9 0 "[ . 1 . 2]" 6
3 1 105 GLU O 1 109 GLU N 2.800 2.800 3.300 2.868 2.718 2.989 0.082 7 0 "[ . 1 . 2]" 6
4 1 105 GLU O 1 109 GLU H 1.800 . 2.300 1.994 1.842 2.070 . 0 0 "[ . 1 . 2]" 6
5 1 106 GLU O 1 110 TRP N 2.800 2.800 3.300 3.030 2.842 3.154 . 0 0 "[ . 1 . 2]" 6
6 1 106 GLU O 1 110 TRP H 1.800 . 2.300 2.074 1.922 2.207 . 0 0 "[ . 1 . 2]" 6
7 1 107 LEU O 1 111 PHE N 2.800 2.800 3.300 2.976 2.929 3.338 0.038 20 0 "[ . 1 . 2]" 6
8 1 107 LEU O 1 111 PHE H 1.800 . 2.300 2.090 2.023 2.413 0.113 20 0 "[ . 1 . 2]" 6
9 1 108 PHE O 1 112 GLN N 2.800 2.800 3.300 3.084 2.713 3.241 0.087 20 0 "[ . 1 . 2]" 6
10 1 108 PHE O 1 112 GLN H 1.800 . 2.300 2.292 1.896 2.455 0.155 2 0 "[ . 1 . 2]" 6
11 1 109 GLU O 1 113 SER N 2.800 2.800 3.300 3.305 3.231 3.337 0.037 9 0 "[ . 1 . 2]" 6
12 1 109 GLU O 1 113 SER H 1.800 . 2.300 2.428 2.385 2.469 0.169 9 0 "[ . 1 . 2]" 6
13 1 110 TRP O 1 114 ILE N 2.800 2.800 3.300 3.056 2.927 3.311 0.011 20 0 "[ . 1 . 2]" 6
14 1 110 TRP O 1 114 ILE H 1.800 . 2.300 2.110 1.980 2.353 0.053 20 0 "[ . 1 . 2]" 6
15 1 111 PHE O 1 115 ARG N 2.800 2.800 3.300 3.027 2.835 3.149 . 0 0 "[ . 1 . 2]" 6
16 1 111 PHE O 1 115 ARG H 1.800 . 2.300 2.169 1.966 2.305 0.005 18 0 "[ . 1 . 2]" 6
17 1 112 GLN O 1 116 GLU N 2.800 2.800 3.300 2.777 2.720 2.906 0.080 9 0 "[ . 1 . 2]" 6
18 1 112 GLN O 1 116 GLU H 1.800 . 2.300 2.037 1.933 2.115 . 0 0 "[ . 1 . 2]" 6
19 1 14 GLN O 1 35 ILE N 2.800 2.800 3.300 3.063 2.796 3.283 0.004 6 0 "[ . 1 . 2]" 6
20 1 14 GLN O 1 35 ILE H 1.800 . 2.300 2.122 1.865 2.321 0.021 10 0 "[ . 1 . 2]" 6
21 1 16 GLY O 1 33 CYS N 2.800 2.800 3.300 2.895 2.797 3.010 0.003 17 0 "[ . 1 . 2]" 6
22 1 16 GLY O 1 33 CYS H 1.800 . 2.300 2.302 2.132 2.342 0.042 19 0 "[ . 1 . 2]" 6
23 1 16 GLY N 1 33 CYS O 2.800 2.800 3.300 3.036 2.931 3.161 . 0 0 "[ . 1 . 2]" 6
24 1 16 GLY H 1 33 CYS O 1.800 . 2.300 2.113 2.007 2.250 . 0 0 "[ . 1 . 2]" 6
25 1 18 LEU O 1 31 HIS N 2.800 2.800 3.300 3.099 2.937 3.333 0.033 8 0 "[ . 1 . 2]" 6
26 1 18 LEU O 1 31 HIS H 1.800 . 2.300 2.203 2.044 2.359 0.059 8 0 "[ . 1 . 2]" 6
27 1 18 LEU N 1 31 HIS O 2.800 2.800 3.300 3.041 2.890 3.206 . 0 0 "[ . 1 . 2]" 6
28 1 18 LEU H 1 31 HIS O 1.800 . 2.300 2.131 2.019 2.305 0.005 3 0 "[ . 1 . 2]" 6
29 1 22 ASP O 1 27 LYS N 2.800 2.800 3.300 3.252 3.186 3.338 0.038 4 0 "[ . 1 . 2]" 6
30 1 22 ASP O 1 27 LYS H 1.800 . 2.300 2.392 2.323 2.491 0.191 15 0 "[ . 1 . 2]" 6
31 1 22 ASP N 1 27 LYS O 2.800 2.800 3.300 3.140 2.971 3.258 . 0 0 "[ . 1 . 2]" 6
32 1 22 ASP H 1 27 LYS O 1.800 . 2.300 2.254 2.031 2.345 0.045 13 0 "[ . 1 . 2]" 6
33 1 19 TYR O 1 100 ALA N 2.800 2.800 3.300 3.032 2.783 3.238 0.017 8 0 "[ . 1 . 2]" 6
34 1 19 TYR O 1 100 ALA H 1.800 . 2.300 2.170 1.998 2.318 0.018 12 0 "[ . 1 . 2]" 6
35 1 21 TRP N 1 98 GLU O 2.800 2.800 3.300 3.155 3.063 3.263 . 0 0 "[ . 1 . 2]" 6
36 1 21 TRP H 1 98 GLU O 1.800 . 2.300 2.228 2.114 2.330 0.030 11 0 "[ . 1 . 2]" 6
37 1 32 TYR O 1 43 SER N 2.800 2.800 3.300 3.128 2.901 3.282 . 0 0 "[ . 1 . 2]" 6
38 1 32 TYR O 1 43 SER H 1.800 . 2.300 2.238 2.093 2.352 0.052 6 0 "[ . 1 . 2]" 6
39 1 34 ALA O 1 41 SER N 2.800 2.800 3.300 3.100 2.850 3.296 . 0 0 "[ . 1 . 2]" 6
40 1 34 ALA O 1 41 SER H 1.800 . 2.300 2.142 1.927 2.321 0.021 3 0 "[ . 1 . 2]" 6
41 1 36 ALA O 1 39 LYS N 2.800 2.800 3.300 2.964 2.916 3.055 . 0 0 "[ . 1 . 2]" 6
42 1 36 ALA O 1 39 LYS H 1.800 . 2.300 2.064 1.955 2.303 0.003 8 0 "[ . 1 . 2]" 6
43 1 36 ALA N 1 39 LYS O 2.800 2.800 3.300 2.826 2.724 2.912 0.076 16 0 "[ . 1 . 2]" 6
44 1 36 ALA H 1 39 LYS O 1.800 . 2.300 1.989 1.877 2.105 . 0 0 "[ . 1 . 2]" 6
45 1 40 LEU N 1 64 LEU O 2.800 2.800 3.300 3.204 3.075 3.321 0.021 7 0 "[ . 1 . 2]" 6
46 1 40 LEU H 1 64 LEU O 1.800 . 2.300 2.274 2.147 2.378 0.078 4 0 "[ . 1 . 2]" 6
47 1 40 LEU O 1 64 LEU N 2.800 2.800 3.300 2.781 2.691 2.838 0.109 13 0 "[ . 1 . 2]" 6
48 1 40 LEU O 1 64 LEU H 1.800 . 2.300 1.863 1.810 1.895 . 0 0 "[ . 1 . 2]" 6
49 1 42 PHE N 1 62 GLY O 2.800 2.800 3.300 3.018 2.863 3.163 . 0 0 "[ . 1 . 2]" 6
50 1 42 PHE H 1 62 GLY O 1.800 . 2.300 2.149 1.981 2.312 0.012 10 0 "[ . 1 . 2]" 6
51 1 68 THR O 1 90 LYS N 2.800 2.800 3.300 2.811 2.723 2.960 0.077 8 0 "[ . 1 . 2]" 6
52 1 68 THR O 1 90 LYS H 1.800 . 2.300 1.954 1.883 2.134 . 0 0 "[ . 1 . 2]" 6
53 1 70 ASN O 1 88 GLU N 2.800 2.800 3.300 2.778 2.680 2.985 0.120 6 0 "[ . 1 . 2]" 6
54 1 70 ASN O 1 88 GLU H 1.800 . 2.300 1.911 1.872 2.074 . 0 0 "[ . 1 . 2]" 6
55 1 70 ASN N 1 88 GLU O 2.800 2.800 3.300 2.767 2.727 2.798 0.073 9 0 "[ . 1 . 2]" 6
56 1 70 ASN H 1 88 GLU O 1.800 . 2.300 2.250 2.154 2.328 0.028 12 0 "[ . 1 . 2]" 6
57 1 72 VAL O 1 86 ILE N 2.800 2.800 3.300 2.943 2.867 3.012 . 0 0 "[ . 1 . 2]" 6
58 1 72 VAL O 1 86 ILE H 1.800 . 2.300 2.023 1.927 2.112 . 0 0 "[ . 1 . 2]" 6
59 1 72 VAL N 1 86 ILE O 2.800 2.800 3.300 3.011 2.835 3.093 . 0 0 "[ . 1 . 2]" 6
60 1 72 VAL H 1 86 ILE O 1.800 . 2.300 2.180 1.926 2.305 0.005 11 0 "[ . 1 . 2]" 6
61 1 74 ALA O 1 84 VAL N 2.800 2.800 3.300 3.356 3.307 3.438 0.138 9 0 "[ . 1 . 2]" 6
62 1 74 ALA O 1 84 VAL H 1.800 . 2.300 2.413 2.377 2.473 0.173 9 0 "[ . 1 . 2]" 6
63 1 87 LEU N 1 97 VAL O 2.800 2.800 3.300 2.878 2.813 2.928 . 0 0 "[ . 1 . 2]" 6
64 1 87 LEU H 1 97 VAL O 1.800 . 2.300 1.935 1.864 1.973 . 0 0 "[ . 1 . 2]" 6
65 1 87 LEU O 1 97 VAL N 2.800 2.800 3.300 3.229 3.147 3.262 . 0 0 "[ . 1 . 2]" 6
66 1 87 LEU O 1 97 VAL H 1.800 . 2.300 2.319 2.224 2.348 0.048 18 0 "[ . 1 . 2]" 6
67 1 85 PHE N 1 99 PHE O 2.800 2.800 3.300 3.154 2.961 3.248 . 0 0 "[ . 1 . 2]" 6
68 1 85 PHE H 1 99 PHE O 1.800 . 2.300 2.223 2.032 2.323 0.023 13 0 "[ . 1 . 2]" 6
69 1 85 PHE O 1 99 PHE N 2.800 2.800 3.300 2.970 2.876 3.096 . 0 0 "[ . 1 . 2]" 6
70 1 85 PHE O 1 99 PHE H 1.800 . 2.300 2.139 1.946 2.301 0.001 20 0 "[ . 1 . 2]" 6
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