NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
373092 |
1doq   |
4583 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1doq
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 462
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 1.551
_Distance_constraint_stats_list.Viol_max 0.212
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0535
_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 1 GLU 0.000 0.000 . 0 "[ ]"
1 2 GLN 0.000 0.000 . 0 "[ ]"
1 3 GLU 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.041 0.041 1 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 LEU 0.001 0.001 1 0 "[ ]"
1 7 ASP 0.000 0.000 . 0 "[ ]"
1 8 LEU 0.054 0.054 1 0 "[ ]"
1 9 PRO 0.000 0.000 . 0 "[ ]"
1 10 LEU 0.013 0.013 1 0 "[ ]"
1 11 GLU 0.114 0.114 1 0 "[ ]"
1 12 GLU 0.000 0.000 . 0 "[ ]"
1 13 LEU 0.021 0.021 1 0 "[ ]"
1 14 GLY 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.000 0.000 . 0 "[ ]"
1 16 SER 0.003 0.003 1 0 "[ ]"
1 17 THR 0.014 0.014 1 0 "[ ]"
1 18 ARG 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 LEU 0.189 0.114 1 0 "[ ]"
1 21 HIS 0.066 0.066 1 0 "[ ]"
1 22 SER 0.009 0.009 1 0 "[ ]"
1 23 LEU 0.064 0.064 1 0 "[ ]"
1 24 LYS 0.000 0.000 . 0 "[ ]"
1 25 GLU 0.045 0.045 1 0 "[ ]"
1 26 GLU 0.064 0.064 1 0 "[ ]"
1 27 GLY 0.046 0.046 1 0 "[ ]"
1 28 ILE 0.198 0.153 1 0 "[ ]"
1 29 GLU 0.000 0.000 . 0 "[ ]"
1 30 SER 0.000 0.000 . 0 "[ ]"
1 31 VAL 0.300 0.212 1 0 "[ ]"
1 32 ARG 0.001 0.001 1 0 "[ ]"
1 33 ALA 0.063 0.063 1 0 "[ ]"
1 34 LEU 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 36 ALA 0.000 0.000 . 0 "[ ]"
1 37 LEU 0.000 0.000 . 0 "[ ]"
1 38 ASN 0.000 0.000 . 0 "[ ]"
1 39 LEU 0.045 0.045 1 0 "[ ]"
1 40 LYS 0.045 0.045 1 0 "[ ]"
1 41 ASP 0.045 0.045 1 0 "[ ]"
1 42 LEU 0.019 0.019 1 0 "[ ]"
1 43 LYS 0.104 0.086 1 0 "[ ]"
1 44 ASN 0.000 0.000 . 0 "[ ]"
1 45 ILE 0.051 0.051 1 0 "[ ]"
1 46 PRO 0.000 0.000 . 0 "[ ]"
1 47 GLY 0.051 0.051 1 0 "[ ]"
1 48 ILE 0.000 0.000 . 0 "[ ]"
1 49 GLY 0.000 0.000 . 0 "[ ]"
1 50 GLU 0.000 0.000 . 0 "[ ]"
1 51 ARG 0.000 0.000 . 0 "[ ]"
1 52 SER 0.000 0.000 . 0 "[ ]"
1 53 LEU 0.000 0.000 . 0 "[ ]"
1 54 GLU 0.039 0.039 1 0 "[ ]"
1 55 GLU 0.000 0.000 . 0 "[ ]"
1 56 ILE 0.000 0.000 . 0 "[ ]"
1 57 LYS 0.000 0.000 . 0 "[ ]"
1 58 GLU 0.000 0.000 . 0 "[ ]"
1 59 ALA 0.045 0.045 1 0 "[ ]"
1 60 LEU 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.000 0.000 . 0 "[ ]"
1 62 LYS 0.176 0.116 1 0 "[ ]"
1 63 LYS 0.026 0.026 1 0 "[ ]"
1 64 GLY 0.034 0.034 1 0 "[ ]"
1 65 PHE 0.000 0.000 . 0 "[ ]"
1 66 THR 0.120 0.120 1 0 "[ ]"
1 67 LEU 0.008 0.008 1 0 "[ ]"
1 68 LYS 0.121 0.120 1 0 "[ ]"
1 69 GLU 0.002 0.002 1 0 "[ ]"
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 1 GLU HA 1 2 GLN H 2.800 . 2.800 2.242 2.242 2.242 . 0 0 "[ ]" 1
2 1 1 GLU QB 1 2 GLN H 3.500 . 4.400 3.659 3.659 3.659 . 0 0 "[ ]" 1
3 1 1 GLU QB 1 3 GLU H 3.500 . 4.400 3.660 3.660 3.660 . 0 0 "[ ]" 1
4 1 2 GLN HA 1 3 GLU H 2.800 . 2.800 2.798 2.798 2.798 . 0 0 "[ ]" 1
5 1 3 GLU HA 1 6 LEU H 2.800 . 2.800 2.721 2.721 2.721 . 0 0 "[ ]" 1
6 1 4 GLU H 1 4 GLU HA 2.800 . 2.800 2.841 2.841 2.841 0.041 1 0 "[ ]" 1
7 1 4 GLU H 1 4 GLU QB 2.800 . 3.700 2.265 2.265 2.265 . 0 0 "[ ]" 1
8 1 4 GLU H 1 4 GLU QG 3.500 . 4.400 3.969 3.969 3.969 . 0 0 "[ ]" 1
9 1 5 GLU H 1 6 LEU H 5.000 . 5.000 2.099 2.099 2.099 . 0 0 "[ ]" 1
10 1 6 LEU HA 1 7 ASP H 2.800 . 2.800 2.202 2.202 2.202 . 0 0 "[ ]" 1
11 1 6 LEU H 1 6 LEU QB 2.800 . 3.700 2.993 2.993 2.993 . 0 0 "[ ]" 1
12 1 6 LEU QB 1 7 ASP H 5.000 . 5.900 3.929 3.929 3.929 . 0 0 "[ ]" 1
13 1 7 ASP HA 1 8 LEU H 2.800 . 2.800 2.588 2.588 2.588 . 0 0 "[ ]" 1
14 1 7 ASP HA 1 31 VAL H 5.000 . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
15 1 7 ASP HA 1 32 ARG H 5.000 . 5.000 3.736 3.736 3.736 . 0 0 "[ ]" 1
16 1 7 ASP H 1 7 ASP QB 3.500 . 4.400 2.848 2.848 2.848 . 0 0 "[ ]" 1
17 1 7 ASP QB 1 8 LEU H 5.000 . 5.900 3.992 3.992 3.992 . 0 0 "[ ]" 1
18 1 7 ASP H 1 8 LEU H 3.500 . 3.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
19 1 8 LEU HA 1 31 VAL H 5.000 . 5.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
20 1 8 LEU H 1 8 LEU QB 2.800 . 3.700 2.425 2.425 2.425 . 0 0 "[ ]" 1
21 1 8 LEU QB 1 31 VAL H 5.000 . 5.900 3.912 3.912 3.912 . 0 0 "[ ]" 1
22 1 8 LEU H 1 8 LEU MD2 5.000 . 6.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
23 1 8 LEU MD2 1 12 GLU H 5.000 . 6.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
24 1 8 LEU H 1 31 VAL HB 3.500 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
25 1 8 LEU H 1 31 VAL MG1 5.000 . 6.000 4.574 4.574 4.574 . 0 0 "[ ]" 1
26 1 8 LEU H 1 31 VAL H 5.000 . 5.000 2.977 2.977 2.977 . 0 0 "[ ]" 1
27 1 9 PRO HA 1 10 LEU H 2.800 . 2.800 2.266 2.266 2.266 . 0 0 "[ ]" 1
28 1 9 PRO HA 1 11 GLU H 5.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
29 1 9 PRO QB 1 10 LEU H 5.000 . 5.900 3.366 3.366 3.366 . 0 0 "[ ]" 1
30 1 10 LEU HA 1 11 GLU H 5.000 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
31 1 10 LEU HA 1 12 GLU H 5.000 . 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
32 1 10 LEU HA 1 13 LEU H 5.000 . 5.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
33 1 10 LEU HA 1 31 VAL H 5.000 . 5.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
34 1 10 LEU QB 1 24 LYS H 5.000 . 5.900 4.343 4.343 4.343 . 0 0 "[ ]" 1
35 1 10 LEU H 1 10 LEU MD1 5.000 . 6.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
36 1 10 LEU MD1 1 24 LYS H 5.000 . 6.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
37 1 10 LEU MD1 1 29 GLU H 5.000 . 6.000 4.847 4.847 4.847 . 0 0 "[ ]" 1
38 1 10 LEU MD1 1 30 SER H 5.000 . 6.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
39 1 10 LEU MD1 1 33 ALA H 5.000 . 6.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
40 1 10 LEU MD2 1 31 VAL H 5.000 . 6.000 2.475 2.475 2.475 . 0 0 "[ ]" 1
41 1 10 LEU H 1 10 LEU HG 2.800 . 2.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
42 1 10 LEU HG 1 30 SER H 5.000 . 5.000 2.378 2.378 2.378 . 0 0 "[ ]" 1
43 1 10 LEU HG 1 31 VAL H 5.000 . 5.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
44 1 10 LEU H 1 11 GLU H 3.500 . 3.500 2.704 2.704 2.704 . 0 0 "[ ]" 1
45 1 10 LEU H 1 29 GLU QG 3.500 . 4.400 4.051 4.051 4.051 . 0 0 "[ ]" 1
46 1 10 LEU H 1 30 SER HA 3.500 . 3.500 1.872 1.872 1.872 . 0 0 "[ ]" 1
47 1 11 GLU H 1 11 GLU HA 2.800 . 2.800 2.755 2.755 2.755 . 0 0 "[ ]" 1
48 1 11 GLU HA 1 12 GLU H 5.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
49 1 11 GLU H 1 11 GLU QB 2.800 . 3.700 2.292 2.292 2.292 . 0 0 "[ ]" 1
50 1 11 GLU QB 1 12 GLU H 3.500 . 4.400 2.864 2.864 2.864 . 0 0 "[ ]" 1
51 1 11 GLU H 1 11 GLU QG 3.500 . 4.400 3.993 3.993 3.993 . 0 0 "[ ]" 1
52 1 11 GLU QG 1 12 GLU H 5.000 . 5.900 3.913 3.913 3.913 . 0 0 "[ ]" 1
53 1 11 GLU H 1 12 GLU H 3.500 . 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 1
54 1 11 GLU H 1 20 LEU MD2 5.000 . 6.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
55 1 11 GLU H 1 23 LEU QB 5.000 . 5.900 5.333 5.333 5.333 . 0 0 "[ ]" 1
56 1 12 GLU H 1 12 GLU QB 2.800 . 3.700 2.403 2.403 2.403 . 0 0 "[ ]" 1
57 1 12 GLU QB 1 13 LEU H 5.000 . 5.900 2.831 2.831 2.831 . 0 0 "[ ]" 1
58 1 13 LEU HA 1 14 GLY H 5.000 . 5.000 3.499 3.499 3.499 . 0 0 "[ ]" 1
59 1 13 LEU QB 1 14 GLY H 5.000 . 5.900 2.934 2.934 2.934 . 0 0 "[ ]" 1
60 1 13 LEU QB 1 15 LEU H 2.800 . 3.700 2.651 2.651 2.651 . 0 0 "[ ]" 1
61 1 13 LEU H 1 13 LEU MD2 5.000 . 6.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
62 1 13 LEU MD2 1 14 GLY H 5.000 . 6.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
63 1 13 LEU MD2 1 31 VAL H 3.500 . 4.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
64 1 14 GLY QA 1 15 LEU H 3.500 . 4.400 2.906 2.906 2.906 . 0 0 "[ ]" 1
65 1 14 GLY H 1 15 LEU H 2.800 . 2.800 2.317 2.317 2.317 . 0 0 "[ ]" 1
66 1 15 LEU QB 1 16 SER H 3.500 . 4.400 2.365 2.365 2.365 . 0 0 "[ ]" 1
67 1 15 LEU H 1 15 LEU MD1 5.000 . 6.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
68 1 15 LEU MD1 1 16 SER H 5.000 . 6.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
69 1 15 LEU MD2 1 58 GLU H 5.000 . 6.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
70 1 15 LEU MD2 1 59 ALA H 5.000 . 6.000 3.376 3.376 3.376 . 0 0 "[ ]" 1
71 1 15 LEU H 1 16 SER H 5.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
72 1 16 SER H 1 16 SER HA 2.800 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
73 1 16 SER QB 1 17 THR H 2.800 . 3.700 3.177 3.177 3.177 . 0 0 "[ ]" 1
74 1 16 SER H 1 17 THR H 5.000 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
75 1 16 SER H 1 19 VAL HB 5.000 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
76 1 17 THR HA 1 19 VAL H 5.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
77 1 17 THR HB 1 18 ARG H 5.000 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
78 1 17 THR MG 1 18 ARG H 5.000 . 6.000 4.112 4.112 4.112 . 0 0 "[ ]" 1
79 1 17 THR MG 1 21 HIS H 5.000 . 6.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
80 1 18 ARG HA 1 19 VAL H 5.000 . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
81 1 18 ARG H 1 18 ARG QG 2.800 . 3.700 1.839 1.839 1.839 . 0 0 "[ ]" 1
82 1 18 ARG H 1 19 VAL H 3.500 . 3.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
83 1 19 VAL HA 1 20 LEU H 5.000 . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
84 1 19 VAL HA 1 22 SER H 5.000 . 5.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
85 1 19 VAL H 1 19 VAL HB 2.800 . 2.800 2.686 2.686 2.686 . 0 0 "[ ]" 1
86 1 19 VAL HB 1 20 LEU H 3.500 . 3.500 2.179 2.179 2.179 . 0 0 "[ ]" 1
87 1 19 VAL H 1 20 LEU H 2.800 . 2.800 2.744 2.744 2.744 . 0 0 "[ ]" 1
88 1 19 VAL H 1 21 HIS H 5.000 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
89 1 20 LEU H 1 20 LEU HA 2.800 . 2.800 2.732 2.732 2.732 . 0 0 "[ ]" 1
90 1 20 LEU HA 1 21 HIS H 3.500 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
91 1 20 LEU QB 1 21 HIS H 2.800 . 3.700 2.258 2.258 2.258 . 0 0 "[ ]" 1
92 1 20 LEU H 1 20 LEU MD1 5.000 . 6.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
93 1 20 LEU MD2 1 21 HIS H 5.000 . 6.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
94 1 20 LEU H 1 22 SER H 5.000 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 1
95 1 21 HIS H 1 21 HIS QB 2.800 . 3.700 2.095 2.095 2.095 . 0 0 "[ ]" 1
96 1 21 HIS QB 1 22 SER H 3.500 . 4.400 1.985 1.985 1.985 . 0 0 "[ ]" 1
97 1 21 HIS H 1 22 SER H 3.500 . 3.500 3.113 3.113 3.113 . 0 0 "[ ]" 1
98 1 22 SER HA 1 25 GLU H 5.000 . 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
99 1 22 SER HA 1 26 GLU H 5.000 . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
100 1 22 SER H 1 22 SER QB 2.800 . 3.700 2.903 2.903 2.903 . 0 0 "[ ]" 1
101 1 22 SER QB 1 48 ILE H 5.000 . 5.900 4.525 4.525 4.525 . 0 0 "[ ]" 1
102 1 22 SER H 1 23 LEU MD2 5.000 . 6.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
103 1 23 LEU H 1 23 LEU HA 2.800 . 2.800 2.763 2.763 2.763 . 0 0 "[ ]" 1
104 1 23 LEU HA 1 26 GLU H 3.500 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
105 1 23 LEU H 1 23 LEU QB 2.800 . 3.700 2.298 2.298 2.298 . 0 0 "[ ]" 1
106 1 23 LEU H 1 23 LEU MD1 5.000 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
107 1 23 LEU H 1 24 LYS H 3.500 . 3.500 3.115 3.115 3.115 . 0 0 "[ ]" 1
108 1 24 LYS H 1 24 LYS QB 2.800 . 3.700 2.287 2.287 2.287 . 0 0 "[ ]" 1
109 1 24 LYS QB 1 25 GLU H 3.500 . 4.400 1.952 1.952 1.952 . 0 0 "[ ]" 1
110 1 24 LYS QG 1 25 GLU H 5.000 . 5.900 2.383 2.383 2.383 . 0 0 "[ ]" 1
111 1 24 LYS H 1 25 GLU H 3.500 . 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 1
112 1 25 GLU H 1 25 GLU HA 2.800 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
113 1 25 GLU H 1 25 GLU QB 2.800 . 3.700 2.074 2.074 2.074 . 0 0 "[ ]" 1
114 1 25 GLU H 1 26 GLU H 3.500 . 3.500 2.871 2.871 2.871 . 0 0 "[ ]" 1
115 1 25 GLU H 1 27 GLY H 5.000 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
116 1 26 GLU HA 1 27 GLY H 5.000 . 5.000 3.071 3.071 3.071 . 0 0 "[ ]" 1
117 1 26 GLU H 1 26 GLU QB 2.800 . 3.700 2.336 2.336 2.336 . 0 0 "[ ]" 1
118 1 26 GLU QB 1 27 GLY H 5.000 . 5.900 3.678 3.678 3.678 . 0 0 "[ ]" 1
119 1 26 GLU H 1 27 GLY QA 5.000 . 5.900 4.424 4.424 4.424 . 0 0 "[ ]" 1
120 1 26 GLU H 1 27 GLY H 3.500 . 3.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
121 1 26 GLU H 1 28 ILE MG 5.000 . 6.000 4.970 4.970 4.970 . 0 0 "[ ]" 1
122 1 26 GLU H 1 28 ILE H 5.000 . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
123 1 27 GLY QA 1 28 ILE H 5.000 . 5.900 2.838 2.838 2.838 . 0 0 "[ ]" 1
124 1 27 GLY H 1 28 ILE HA 5.000 . 5.000 5.046 5.046 5.046 0.046 1 0 "[ ]" 1
125 1 28 ILE H 1 28 ILE HA 2.800 . 2.800 2.953 2.953 2.953 0.153 1 0 "[ ]" 1
126 1 28 ILE HA 1 29 GLU H 2.800 . 2.800 2.246 2.246 2.246 . 0 0 "[ ]" 1
127 1 28 ILE HA 1 30 SER H 3.500 . 3.500 3.446 3.446 3.446 . 0 0 "[ ]" 1
128 1 28 ILE H 1 28 ILE HB 2.800 . 2.800 2.672 2.672 2.672 . 0 0 "[ ]" 1
129 1 28 ILE H 1 29 GLU H 5.000 . 5.000 3.868 3.868 3.868 . 0 0 "[ ]" 1
130 1 28 ILE H 1 33 ALA MB 5.000 . 6.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
131 1 29 GLU HA 1 30 SER H 5.000 . 5.000 3.022 3.022 3.022 . 0 0 "[ ]" 1
132 1 29 GLU QB 1 30 SER H 5.000 . 5.900 4.039 4.039 4.039 . 0 0 "[ ]" 1
133 1 29 GLU H 1 30 SER H 2.800 . 2.800 2.449 2.449 2.449 . 0 0 "[ ]" 1
134 1 29 GLU H 1 33 ALA MB 5.000 . 6.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
135 1 30 SER HA 1 31 VAL H 2.800 . 2.800 2.433 2.433 2.433 . 0 0 "[ ]" 1
136 1 30 SER HA 1 32 ARG H 5.000 . 5.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
137 1 30 SER QB 1 31 VAL H 3.500 . 4.400 2.343 2.343 2.343 . 0 0 "[ ]" 1
138 1 30 SER QB 1 32 ARG H 5.000 . 5.900 2.334 2.334 2.334 . 0 0 "[ ]" 1
139 1 30 SER H 1 33 ALA MB 5.000 . 6.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
140 1 31 VAL HA 1 32 ARG H 5.000 . 5.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
141 1 31 VAL HA 1 33 ALA H 5.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
142 1 31 VAL HA 1 34 LEU H 5.000 . 5.000 3.090 3.090 3.090 . 0 0 "[ ]" 1
143 1 31 VAL HA 1 35 LEU H 5.000 . 5.000 4.008 4.008 4.008 . 0 0 "[ ]" 1
144 1 31 VAL H 1 31 VAL HB 2.800 . 2.800 3.012 3.012 3.012 0.212 1 0 "[ ]" 1
145 1 31 VAL HB 1 32 ARG H 3.500 . 3.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
146 1 31 VAL MG1 1 32 ARG H 5.000 . 6.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
147 1 31 VAL H 1 32 ARG QB 5.000 . 5.900 4.269 4.269 4.269 . 0 0 "[ ]" 1
148 1 31 VAL H 1 34 LEU H 5.000 . 5.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
149 1 32 ARG HA 1 33 ALA H 5.000 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
150 1 32 ARG HA 1 34 LEU H 5.000 . 5.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
151 1 32 ARG HA 1 35 LEU H 5.000 . 5.000 3.400 3.400 3.400 . 0 0 "[ ]" 1
152 1 32 ARG H 1 32 ARG QB 2.800 . 3.700 2.284 2.284 2.284 . 0 0 "[ ]" 1
153 1 32 ARG QB 1 33 ALA H 3.500 . 4.400 2.358 2.358 2.358 . 0 0 "[ ]" 1
154 1 32 ARG H 1 32 ARG QD 5.000 . 5.900 4.378 4.378 4.378 . 0 0 "[ ]" 1
155 1 32 ARG H 1 33 ALA H 3.500 . 3.500 2.665 2.665 2.665 . 0 0 "[ ]" 1
156 1 32 ARG H 1 34 LEU H 5.000 . 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
157 1 33 ALA H 1 33 ALA HA 2.800 . 2.800 2.863 2.863 2.863 0.063 1 0 "[ ]" 1
158 1 33 ALA HA 1 36 ALA H 3.500 . 3.500 2.962 2.962 2.962 . 0 0 "[ ]" 1
159 1 33 ALA H 1 33 ALA MB 2.800 . 3.800 2.058 2.058 2.058 . 0 0 "[ ]" 1
160 1 33 ALA MB 1 34 LEU H 3.500 . 4.500 2.545 2.545 2.545 . 0 0 "[ ]" 1
161 1 33 ALA H 1 35 LEU H 5.000 . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
162 1 34 LEU QB 1 35 LEU H 3.500 . 4.400 2.837 2.837 2.837 . 0 0 "[ ]" 1
163 1 34 LEU MD1 1 36 ALA H 5.000 . 6.000 4.877 4.877 4.877 . 0 0 "[ ]" 1
164 1 34 LEU H 1 34 LEU MD2 5.000 . 6.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
165 1 34 LEU H 1 35 LEU H 2.800 . 2.800 2.647 2.647 2.647 . 0 0 "[ ]" 1
166 1 35 LEU H 1 35 LEU QB 2.800 . 3.700 2.248 2.248 2.248 . 0 0 "[ ]" 1
167 1 35 LEU H 1 35 LEU MD2 5.000 . 6.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
168 1 35 LEU MD2 1 66 THR H 5.000 . 6.000 4.907 4.907 4.907 . 0 0 "[ ]" 1
169 1 35 LEU H 1 36 ALA H 3.500 . 3.500 2.435 2.435 2.435 . 0 0 "[ ]" 1
170 1 36 ALA H 1 37 LEU HG 5.000 . 5.000 4.082 4.082 4.082 . 0 0 "[ ]" 1
171 1 36 ALA H 1 37 LEU H 2.800 . 2.800 2.649 2.649 2.649 . 0 0 "[ ]" 1
172 1 37 LEU HA 1 38 ASN H 2.800 . 2.800 2.315 2.315 2.315 . 0 0 "[ ]" 1
173 1 37 LEU H 1 37 LEU QB 2.800 . 3.700 2.545 2.545 2.545 . 0 0 "[ ]" 1
174 1 37 LEU QB 1 38 ASN H 3.500 . 4.400 3.780 3.780 3.780 . 0 0 "[ ]" 1
175 1 37 LEU MD2 1 38 ASN H 5.000 . 6.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
176 1 37 LEU H 1 38 ASN H 5.000 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
177 1 38 ASN HA 1 39 LEU H 2.800 . 2.800 2.709 2.709 2.709 . 0 0 "[ ]" 1
178 1 38 ASN HA 1 40 LYS H 5.000 . 5.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
179 1 38 ASN HA 1 68 LYS H 5.000 . 5.000 4.840 4.840 4.840 . 0 0 "[ ]" 1
180 1 38 ASN H 1 38 ASN QB 3.500 . 4.400 2.701 2.701 2.701 . 0 0 "[ ]" 1
181 1 38 ASN QB 1 39 LEU H 3.500 . 4.400 2.140 2.140 2.140 . 0 0 "[ ]" 1
182 1 38 ASN QB 1 40 LYS H 5.000 . 5.900 2.505 2.505 2.505 . 0 0 "[ ]" 1
183 1 38 ASN H 1 39 LEU H 5.000 . 5.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
184 1 38 ASN H 1 41 ASP H 5.000 . 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
185 1 38 ASN H 1 42 LEU H 5.000 . 5.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
186 1 39 LEU H 1 39 LEU HA 2.800 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
187 1 39 LEU H 1 39 LEU MD1 5.000 . 6.000 2.721 2.721 2.721 . 0 0 "[ ]" 1
188 1 39 LEU MD1 1 40 LYS H 5.000 . 6.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
189 1 39 LEU H 1 39 LEU HG 2.800 . 2.800 2.159 2.159 2.159 . 0 0 "[ ]" 1
190 1 39 LEU H 1 40 LYS H 3.500 . 3.500 2.673 2.673 2.673 . 0 0 "[ ]" 1
191 1 40 LYS H 1 40 LYS QB 2.800 . 3.700 2.213 2.213 2.213 . 0 0 "[ ]" 1
192 1 40 LYS H 1 41 ASP H 2.800 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
193 1 41 ASP HA 1 42 LEU H 5.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
194 1 41 ASP HA 1 44 ASN H 5.000 . 5.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
195 1 41 ASP H 1 41 ASP QB 2.800 . 3.700 2.610 2.610 2.610 . 0 0 "[ ]" 1
196 1 41 ASP QB 1 42 LEU H 3.500 . 4.400 2.179 2.179 2.179 . 0 0 "[ ]" 1
197 1 41 ASP QB 1 43 LYS H 5.000 . 5.900 4.597 4.597 4.597 . 0 0 "[ ]" 1
198 1 41 ASP H 1 42 LEU QB 3.500 . 4.400 3.765 3.765 3.765 . 0 0 "[ ]" 1
199 1 41 ASP H 1 42 LEU MD1 5.000 . 6.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
200 1 41 ASP H 1 42 LEU H 2.800 . 2.800 2.221 2.221 2.221 . 0 0 "[ ]" 1
201 1 42 LEU HA 1 45 ILE H 5.000 . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
202 1 42 LEU QB 1 43 LYS H 2.800 . 3.700 2.375 2.375 2.375 . 0 0 "[ ]" 1
203 1 42 LEU MD1 1 43 LYS H 5.000 . 6.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
204 1 42 LEU H 1 43 LYS H 2.800 . 2.800 2.819 2.819 2.819 0.019 1 0 "[ ]" 1
205 1 42 LEU H 1 44 ASN H 5.000 . 5.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
206 1 43 LYS H 1 43 LYS HA 2.800 . 2.800 2.886 2.886 2.886 0.086 1 0 "[ ]" 1
207 1 43 LYS HA 1 44 ASN H 5.000 . 5.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
208 1 43 LYS H 1 43 LYS QB 2.800 . 3.700 2.255 2.255 2.255 . 0 0 "[ ]" 1
209 1 43 LYS QB 1 44 ASN H 5.000 . 5.900 3.154 3.154 3.154 . 0 0 "[ ]" 1
210 1 43 LYS H 1 44 ASN H 3.500 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
211 1 44 ASN HA 1 45 ILE H 5.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
212 1 44 ASN H 1 44 ASN QB 2.800 . 3.700 2.307 2.307 2.307 . 0 0 "[ ]" 1
213 1 44 ASN QB 1 45 ILE H 5.000 . 5.900 2.558 2.558 2.558 . 0 0 "[ ]" 1
214 1 44 ASN H 1 45 ILE H 3.500 . 3.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
215 1 44 ASN H 1 48 ILE MG 5.000 . 6.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
216 1 45 ILE HA 1 47 GLY H 3.500 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
217 1 45 ILE H 1 45 ILE MD 5.000 . 6.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
218 1 45 ILE H 1 45 ILE QG 2.800 . 3.700 1.958 1.958 1.958 . 0 0 "[ ]" 1
219 1 45 ILE H 1 48 ILE HB 5.000 . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
220 1 45 ILE H 1 48 ILE QG 5.000 . 5.900 4.048 4.048 4.048 . 0 0 "[ ]" 1
221 1 46 PRO QB 1 47 GLY H 5.000 . 5.900 3.726 3.726 3.726 . 0 0 "[ ]" 1
222 1 47 GLY QA 1 48 ILE H 5.000 . 5.900 2.864 2.864 2.864 . 0 0 "[ ]" 1
223 1 47 GLY H 1 48 ILE MG 5.000 . 6.000 5.093 5.093 5.093 . 0 0 "[ ]" 1
224 1 47 GLY H 1 48 ILE H 5.000 . 5.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
225 1 48 ILE HA 1 49 GLY H 3.500 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
226 1 48 ILE H 1 48 ILE HB 2.800 . 2.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
227 1 48 ILE HB 1 49 GLY H 5.000 . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
228 1 48 ILE H 1 48 ILE QG 3.500 . 4.400 3.112 3.112 3.112 . 0 0 "[ ]" 1
229 1 48 ILE QG 1 49 GLY H 5.000 . 5.900 4.474 4.474 4.474 . 0 0 "[ ]" 1
230 1 49 GLY QA 1 50 GLU H 5.000 . 5.900 2.304 2.304 2.304 . 0 0 "[ ]" 1
231 1 50 GLU HA 1 52 SER H 5.000 . 5.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
232 1 51 ARG HA 1 54 GLU H 5.000 . 5.000 3.985 3.985 3.985 . 0 0 "[ ]" 1
233 1 51 ARG QB 1 52 SER H 5.000 . 5.900 2.960 2.960 2.960 . 0 0 "[ ]" 1
234 1 51 ARG QG 1 55 GLU H 5.000 . 5.900 4.793 4.793 4.793 . 0 0 "[ ]" 1
235 1 52 SER HA 1 55 GLU H 5.000 . 5.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
236 1 52 SER H 1 53 LEU H 5.000 . 5.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
237 1 54 GLU H 1 54 GLU HA 2.800 . 2.800 2.839 2.839 2.839 0.039 1 0 "[ ]" 1
238 1 54 GLU HA 1 57 LYS H 5.000 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
239 1 54 GLU H 1 54 GLU QB 2.800 . 3.700 2.119 2.119 2.119 . 0 0 "[ ]" 1
240 1 54 GLU H 1 54 GLU QG 3.500 . 4.400 2.985 2.985 2.985 . 0 0 "[ ]" 1
241 1 55 GLU H 1 55 GLU HA 2.800 . 2.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
242 1 55 GLU H 1 55 GLU QB 2.800 . 3.700 2.229 2.229 2.229 . 0 0 "[ ]" 1
243 1 55 GLU QB 1 56 ILE H 3.500 . 4.400 2.488 2.488 2.488 . 0 0 "[ ]" 1
244 1 55 GLU H 1 56 ILE H 3.500 . 3.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
245 1 56 ILE HA 1 57 LYS H 5.000 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
246 1 56 ILE HA 1 59 ALA H 5.000 . 5.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
247 1 56 ILE H 1 56 ILE HB 2.800 . 2.800 2.481 2.481 2.481 . 0 0 "[ ]" 1
248 1 56 ILE HB 1 57 LYS H 2.800 . 2.800 2.236 2.236 2.236 . 0 0 "[ ]" 1
249 1 56 ILE H 1 56 ILE QG 2.800 . 3.700 2.191 2.191 2.191 . 0 0 "[ ]" 1
250 1 56 ILE QG 1 57 LYS H 3.500 . 4.400 4.029 4.029 4.029 . 0 0 "[ ]" 1
251 1 56 ILE H 1 57 LYS H 3.500 . 3.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
252 1 57 LYS H 1 57 LYS HA 2.800 . 2.800 2.786 2.786 2.786 . 0 0 "[ ]" 1
253 1 57 LYS HA 1 58 GLU H 5.000 . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
254 1 57 LYS HA 1 60 LEU H 5.000 . 5.000 3.177 3.177 3.177 . 0 0 "[ ]" 1
255 1 57 LYS HA 1 61 GLU H 5.000 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
256 1 57 LYS H 1 57 LYS QG 3.500 . 4.400 3.988 3.988 3.988 . 0 0 "[ ]" 1
257 1 57 LYS QG 1 61 GLU H 5.000 . 5.900 4.115 4.115 4.115 . 0 0 "[ ]" 1
258 1 58 GLU H 1 58 GLU HA 2.800 . 2.800 2.777 2.777 2.777 . 0 0 "[ ]" 1
259 1 58 GLU HA 1 61 GLU H 3.500 . 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
260 1 58 GLU H 1 58 GLU QG 3.500 . 4.400 2.800 2.800 2.800 . 0 0 "[ ]" 1
261 1 58 GLU QG 1 59 ALA H 5.000 . 5.900 4.338 4.338 4.338 . 0 0 "[ ]" 1
262 1 58 GLU H 1 59 ALA MB 5.000 . 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
263 1 59 ALA H 1 59 ALA HA 2.800 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
264 1 59 ALA MB 1 60 LEU H 5.000 . 6.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
265 1 59 ALA H 1 60 LEU H 2.800 . 2.800 2.767 2.767 2.767 . 0 0 "[ ]" 1
266 1 60 LEU H 1 60 LEU QB 2.800 . 3.700 2.363 2.363 2.363 . 0 0 "[ ]" 1
267 1 60 LEU MD1 1 61 GLU H 5.000 . 6.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
268 1 60 LEU MD1 1 63 LYS H 5.000 . 6.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
269 1 60 LEU H 1 60 LEU MD2 5.000 . 6.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
270 1 61 GLU HA 1 64 GLY H 5.000 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
271 1 61 GLU H 1 62 LYS H 3.500 . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
272 1 61 GLU H 1 63 LYS H 5.000 . 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
273 1 62 LYS H 1 62 LYS HA 2.800 . 2.800 2.916 2.916 2.916 0.116 1 0 "[ ]" 1
274 1 62 LYS HA 1 63 LYS H 3.500 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
275 1 62 LYS HA 1 64 GLY H 5.000 . 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 1
276 1 62 LYS H 1 62 LYS QB 2.800 . 3.700 2.316 2.316 2.316 . 0 0 "[ ]" 1
277 1 62 LYS QB 1 63 LYS H 3.500 . 4.400 2.700 2.700 2.700 . 0 0 "[ ]" 1
278 1 62 LYS H 1 63 LYS H 2.800 . 2.800 2.364 2.364 2.364 . 0 0 "[ ]" 1
279 1 63 LYS H 1 63 LYS QB 3.500 . 4.400 2.365 2.365 2.365 . 0 0 "[ ]" 1
280 1 63 LYS QB 1 64 GLY H 5.000 . 5.900 2.484 2.484 2.484 . 0 0 "[ ]" 1
281 1 63 LYS H 1 64 GLY QA 5.000 . 5.900 4.064 4.064 4.064 . 0 0 "[ ]" 1
282 1 63 LYS H 1 64 GLY H 2.800 . 2.800 2.208 2.208 2.208 . 0 0 "[ ]" 1
283 1 64 GLY QA 1 65 PHE H 5.000 . 5.900 2.829 2.829 2.829 . 0 0 "[ ]" 1
284 1 64 GLY H 1 65 PHE H 2.800 . 2.800 2.422 2.422 2.422 . 0 0 "[ ]" 1
285 1 65 PHE HA 1 66 THR H 2.800 . 2.800 2.419 2.419 2.419 . 0 0 "[ ]" 1
286 1 65 PHE QB 1 66 THR H 3.500 . 4.400 2.447 2.447 2.447 . 0 0 "[ ]" 1
287 1 65 PHE H 1 66 THR H 5.000 . 5.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
288 1 66 THR HA 1 68 LYS H 2.800 . 2.800 2.920 2.920 2.920 0.120 1 0 "[ ]" 1
289 1 66 THR HB 1 67 LEU H 5.000 . 5.000 2.107 2.107 2.107 . 0 0 "[ ]" 1
290 1 66 THR MG 1 67 LEU H 5.000 . 6.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
291 1 66 THR H 1 67 LEU H 5.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
292 1 67 LEU H 1 67 LEU HA 2.800 . 2.800 2.360 2.360 2.360 . 0 0 "[ ]" 1
293 1 67 LEU H 1 67 LEU QB 2.800 . 3.700 3.119 3.119 3.119 . 0 0 "[ ]" 1
294 1 67 LEU QB 1 68 LYS H 2.800 . 3.700 3.352 3.352 3.352 . 0 0 "[ ]" 1
295 1 67 LEU MD1 1 68 LYS H 5.000 . 6.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
296 1 67 LEU H 1 68 LYS H 5.000 . 5.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
297 1 68 LYS HA 1 69 GLU H 2.800 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 1
298 1 68 LYS H 1 68 LYS QB 2.800 . 3.700 2.766 2.766 2.766 . 0 0 "[ ]" 1
299 1 68 LYS QB 1 69 GLU H 3.500 . 4.400 3.922 3.922 3.922 . 0 0 "[ ]" 1
300 1 68 LYS QG 1 69 GLU H 5.000 . 5.900 4.178 4.178 4.178 . 0 0 "[ ]" 1
301 1 68 LYS H 1 69 GLU H 5.000 . 5.000 2.476 2.476 2.476 . 0 0 "[ ]" 1
302 1 1 GLU QG 1 4 GLU HA 2.800 . 3.700 2.817 2.817 2.817 . 0 0 "[ ]" 1
303 1 6 LEU HA 1 31 VAL MG2 5.000 . 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
304 1 6 LEU MD1 1 32 ARG QB 5.000 . 6.900 4.993 4.993 4.993 . 0 0 "[ ]" 1
305 1 6 LEU MD1 1 60 LEU HA 3.500 . 4.500 3.866 3.866 3.866 . 0 0 "[ ]" 1
306 1 6 LEU MD1 1 63 LYS QE 5.000 . 6.900 2.246 2.246 2.246 . 0 0 "[ ]" 1
307 1 6 LEU MD2 1 32 ARG HA 5.000 . 6.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
308 1 6 LEU MD2 1 32 ARG QB 5.000 . 6.900 2.680 2.680 2.680 . 0 0 "[ ]" 1
309 1 6 LEU MD2 1 65 PHE QB 5.000 . 6.900 4.075 4.075 4.075 . 0 0 "[ ]" 1
310 1 6 LEU HG 1 7 ASP HA 5.000 . 5.000 3.842 3.842 3.842 . 0 0 "[ ]" 1
311 1 6 LEU HG 1 32 ARG HA 5.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
312 1 7 ASP HA 1 30 SER QB 5.000 . 5.900 3.786 3.786 3.786 . 0 0 "[ ]" 1
313 1 8 LEU HA 1 9 PRO QD 2.800 . 3.700 1.992 1.992 1.992 . 0 0 "[ ]" 1
314 1 8 LEU HA 1 9 PRO QG 3.500 . 4.400 3.987 3.987 3.987 . 0 0 "[ ]" 1
315 1 8 LEU QB 1 9 PRO QD 5.000 . 6.800 2.233 2.233 2.233 . 0 0 "[ ]" 1
316 1 8 LEU QB 1 12 GLU QB 5.000 . 6.800 4.094 4.094 4.094 . 0 0 "[ ]" 1
317 1 8 LEU MD1 1 9 PRO QD 5.000 . 6.900 3.297 3.297 3.297 . 0 0 "[ ]" 1
318 1 8 LEU MD1 1 12 GLU QB 5.000 . 6.900 5.153 5.153 5.153 . 0 0 "[ ]" 1
319 1 8 LEU HG 1 12 GLU QB 5.000 . 5.900 4.651 4.651 4.651 . 0 0 "[ ]" 1
320 1 9 PRO HA 1 30 SER HA 2.800 . 2.800 2.119 2.119 2.119 . 0 0 "[ ]" 1
321 1 9 PRO HA 1 30 SER QB 5.000 . 5.900 3.483 3.483 3.483 . 0 0 "[ ]" 1
322 1 9 PRO QB 1 9 PRO QD 2.800 . 4.600 2.987 2.987 2.987 . 0 0 "[ ]" 1
323 1 9 PRO QB 1 30 SER HA 5.000 . 5.900 4.001 4.001 4.001 . 0 0 "[ ]" 1
324 1 10 LEU HA 1 31 VAL MG1 5.000 . 6.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
325 1 10 LEU QB 1 24 LYS HA 5.000 . 5.900 4.303 4.303 4.303 . 0 0 "[ ]" 1
326 1 10 LEU QB 1 29 GLU HA 5.000 . 5.900 2.922 2.922 2.922 . 0 0 "[ ]" 1
327 1 10 LEU QB 1 30 SER HA 5.000 . 5.900 3.821 3.821 3.821 . 0 0 "[ ]" 1
328 1 10 LEU QB 1 31 VAL MG1 5.000 . 6.900 5.004 5.004 5.004 . 0 0 "[ ]" 1
329 1 10 LEU MD1 1 20 LEU HA 5.000 . 6.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
330 1 10 LEU MD1 1 23 LEU QB 3.500 . 5.400 2.053 2.053 2.053 . 0 0 "[ ]" 1
331 1 10 LEU MD1 1 29 GLU HA 5.000 . 6.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
332 1 10 LEU MD1 1 30 SER HA 5.000 . 6.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
333 1 10 LEU MD1 1 31 VAL HA 5.000 . 6.000 3.257 3.257 3.257 . 0 0 "[ ]" 1
334 1 10 LEU MD1 1 56 ILE HA 5.000 . 6.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
335 1 10 LEU MD2 1 30 SER HA 5.000 . 6.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
336 1 10 LEU MD2 1 31 VAL HA 5.000 . 6.000 1.787 1.787 1.787 0.013 1 0 "[ ]" 1
337 1 10 LEU MD2 1 34 LEU QB 5.000 . 6.900 2.138 2.138 2.138 . 0 0 "[ ]" 1
338 1 10 LEU HG 1 19 VAL MG1 5.000 . 6.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
339 1 10 LEU HG 1 29 GLU HA 5.000 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
340 1 10 LEU HG 1 30 SER HA 5.000 . 5.000 2.682 2.682 2.682 . 0 0 "[ ]" 1
341 1 11 GLU HA 1 11 GLU QG 3.500 . 4.400 2.449 2.449 2.449 . 0 0 "[ ]" 1
342 1 11 GLU QG 1 20 LEU MD1 5.000 . 6.900 3.815 3.815 3.815 . 0 0 "[ ]" 1
343 1 11 GLU QG 1 20 LEU MD2 5.000 . 6.900 1.686 1.686 1.686 0.114 1 0 "[ ]" 1
344 1 12 GLU HA 1 20 LEU MD1 5.000 . 6.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
345 1 13 LEU MD2 1 19 VAL MG1 5.000 . 7.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
346 1 13 LEU MD2 1 31 VAL MG2 5.000 . 7.000 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
347 1 13 LEU MD2 1 34 LEU QB 5.000 . 6.900 3.569 3.569 3.569 . 0 0 "[ ]" 1
348 1 13 LEU MD2 1 34 LEU HG 3.500 . 4.500 3.820 3.820 3.820 . 0 0 "[ ]" 1
349 1 13 LEU MD2 1 56 ILE HA 5.000 . 6.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
350 1 15 LEU HA 1 15 LEU MD2 3.500 . 4.500 1.873 1.873 1.873 . 0 0 "[ ]" 1
351 1 15 LEU HA 1 20 LEU MD1 5.000 . 6.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
352 1 15 LEU QB 1 19 VAL HB 5.000 . 5.900 2.203 2.203 2.203 . 0 0 "[ ]" 1
353 1 15 LEU MD2 1 55 GLU QG 5.000 . 6.900 2.965 2.965 2.965 . 0 0 "[ ]" 1
354 1 15 LEU MD2 1 58 GLU QB 5.000 . 6.900 3.595 3.595 3.595 . 0 0 "[ ]" 1
355 1 15 LEU MD2 1 62 LYS QE 5.000 . 6.900 5.123 5.123 5.123 . 0 0 "[ ]" 1
356 1 15 LEU HG 1 19 VAL MG1 5.000 . 6.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
357 1 16 SER QB 1 19 VAL MG1 5.000 . 6.900 4.394 4.394 4.394 . 0 0 "[ ]" 1
358 1 16 SER QB 1 19 VAL MG2 5.000 . 6.900 2.142 2.142 2.142 . 0 0 "[ ]" 1
359 1 17 THR HA 1 17 THR HB 2.800 . 2.800 2.814 2.814 2.814 0.014 1 0 "[ ]" 1
360 1 17 THR HA 1 19 VAL MG2 5.000 . 6.000 4.918 4.918 4.918 . 0 0 "[ ]" 1
361 1 17 THR HA 1 20 LEU QB 3.500 . 4.400 2.503 2.503 2.503 . 0 0 "[ ]" 1
362 1 17 THR HA 1 20 LEU MD2 5.000 . 6.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
363 1 17 THR HB 1 20 LEU QB 5.000 . 5.900 4.374 4.374 4.374 . 0 0 "[ ]" 1
364 1 17 THR MG 1 20 LEU QB 5.000 . 6.900 3.213 3.213 3.213 . 0 0 "[ ]" 1
365 1 17 THR MG 1 20 LEU MD2 5.000 . 7.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
366 1 17 THR MG 1 21 HIS QB 5.000 . 6.900 4.764 4.764 4.764 . 0 0 "[ ]" 1
367 1 18 ARG HA 1 20 LEU QB 5.000 . 5.900 5.072 5.072 5.072 . 0 0 "[ ]" 1
368 1 18 ARG HA 1 21 HIS QB 3.500 . 4.400 3.660 3.660 3.660 . 0 0 "[ ]" 1
369 1 19 VAL HB 1 34 LEU MD2 5.000 . 6.000 4.838 4.838 4.838 . 0 0 "[ ]" 1
370 1 19 VAL MG1 1 23 LEU HA 5.000 . 6.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
371 1 19 VAL MG1 1 23 LEU QB 5.000 . 6.900 1.841 1.841 1.841 . 0 0 "[ ]" 1
372 1 19 VAL MG1 1 52 SER HA 5.000 . 6.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
373 1 19 VAL MG1 1 52 SER QB 5.000 . 6.900 3.200 3.200 3.200 . 0 0 "[ ]" 1
374 1 19 VAL MG2 1 48 ILE HA 5.000 . 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
375 1 19 VAL MG2 1 52 SER HA 5.000 . 6.000 2.190 2.190 2.190 . 0 0 "[ ]" 1
376 1 19 VAL MG2 1 52 SER QB 5.000 . 6.900 1.884 1.884 1.884 . 0 0 "[ ]" 1
377 1 20 LEU QB 1 20 LEU MD2 2.800 . 4.700 2.064 2.064 2.064 . 0 0 "[ ]" 1
378 1 21 HIS HA 1 24 LYS QB 3.500 . 4.400 2.868 2.868 2.868 . 0 0 "[ ]" 1
379 1 22 SER QB 1 26 GLU HA 5.000 . 5.900 5.399 5.399 5.399 . 0 0 "[ ]" 1
380 1 23 LEU QB 1 37 LEU MD1 5.000 . 6.900 4.195 4.195 4.195 . 0 0 "[ ]" 1
381 1 23 LEU MD2 1 34 LEU MD1 5.000 . 7.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
382 1 24 LYS HA 1 24 LYS QG 3.500 . 4.400 2.461 2.461 2.461 . 0 0 "[ ]" 1
383 1 24 LYS HA 1 29 GLU HA 5.000 . 5.000 2.366 2.366 2.366 . 0 0 "[ ]" 1
384 1 24 LYS QG 1 29 GLU HA 5.000 . 5.900 3.687 3.687 3.687 . 0 0 "[ ]" 1
385 1 25 GLU HA 1 26 GLU HA 5.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
386 1 26 GLU QB 1 28 ILE QG 5.000 . 6.800 4.333 4.333 4.333 . 0 0 "[ ]" 1
387 1 26 GLU QB 1 45 ILE MG 5.000 . 6.900 3.079 3.079 3.079 . 0 0 "[ ]" 1
388 1 26 GLU QG 1 45 ILE MG 5.000 . 6.900 3.245 3.245 3.245 . 0 0 "[ ]" 1
389 1 28 ILE HA 1 28 ILE MG 3.500 . 4.500 2.513 2.513 2.513 . 0 0 "[ ]" 1
390 1 28 ILE HA 1 29 GLU QG 5.000 . 5.900 4.544 4.544 4.544 . 0 0 "[ ]" 1
391 1 28 ILE HA 1 33 ALA MB 5.000 . 6.000 2.152 2.152 2.152 . 0 0 "[ ]" 1
392 1 28 ILE HB 1 28 ILE MD 3.500 . 4.500 2.020 2.020 2.020 . 0 0 "[ ]" 1
393 1 28 ILE MG 1 33 ALA MB 5.000 . 7.000 1.829 1.829 1.829 . 0 0 "[ ]" 1
394 1 28 ILE MG 1 34 LEU HA 5.000 . 6.000 2.638 2.638 2.638 . 0 0 "[ ]" 1
395 1 28 ILE MG 1 37 LEU HG 3.500 . 4.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
396 1 29 GLU QG 1 33 ALA MB 5.000 . 6.900 4.359 4.359 4.359 . 0 0 "[ ]" 1
397 1 30 SER HA 1 31 VAL MG1 5.000 . 6.000 5.091 5.091 5.091 . 0 0 "[ ]" 1
398 1 30 SER QB 1 33 ALA MB 5.000 . 6.900 3.050 3.050 3.050 . 0 0 "[ ]" 1
399 1 31 VAL HA 1 34 LEU QB 5.000 . 5.900 2.148 2.148 2.148 . 0 0 "[ ]" 1
400 1 31 VAL HA 1 60 LEU MD1 5.000 . 6.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
401 1 31 VAL MG1 1 32 ARG HA 5.000 . 6.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
402 1 31 VAL MG1 1 35 LEU QB 5.000 . 6.900 3.995 3.995 3.995 . 0 0 "[ ]" 1
403 1 31 VAL MG2 1 34 LEU QB 5.000 . 6.900 4.136 4.136 4.136 . 0 0 "[ ]" 1
404 1 32 ARG HA 1 35 LEU QB 5.000 . 5.900 2.536 2.536 2.536 . 0 0 "[ ]" 1
405 1 32 ARG HA 1 35 LEU MD2 5.000 . 6.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
406 1 33 ALA HA 1 36 ALA MB 5.000 . 6.000 2.512 2.512 2.512 . 0 0 "[ ]" 1
407 1 34 LEU HA 1 37 LEU HG 5.000 . 5.000 2.587 2.587 2.587 . 0 0 "[ ]" 1
408 1 34 LEU QB 1 56 ILE QG 3.500 . 5.300 3.974 3.974 3.974 . 0 0 "[ ]" 1
409 1 34 LEU QB 1 56 ILE MG 5.000 . 6.900 3.627 3.627 3.627 . 0 0 "[ ]" 1
410 1 35 LEU HA 1 35 LEU MD2 3.500 . 4.500 3.329 3.329 3.329 . 0 0 "[ ]" 1
411 1 35 LEU MD2 1 65 PHE QB 5.000 . 6.900 4.168 4.168 4.168 . 0 0 "[ ]" 1
412 1 37 LEU HA 1 37 LEU MD2 3.500 . 4.500 1.941 1.941 1.941 . 0 0 "[ ]" 1
413 1 37 LEU HA 1 37 LEU HG 3.500 . 3.500 3.259 3.259 3.259 . 0 0 "[ ]" 1
414 1 37 LEU HA 1 38 ASN HA 5.000 . 5.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
415 1 38 ASN HA 1 41 ASP QB 3.500 . 4.400 4.019 4.019 4.019 . 0 0 "[ ]" 1
416 1 38 ASN HA 1 67 LEU QB 5.000 . 5.900 4.570 4.570 4.570 . 0 0 "[ ]" 1
417 1 38 ASN HA 1 67 LEU MD1 5.000 . 6.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
418 1 38 ASN HA 1 68 LYS QB 5.000 . 5.900 3.461 3.461 3.461 . 0 0 "[ ]" 1
419 1 40 LYS HA 1 40 LYS QE 5.000 . 5.900 4.503 4.503 4.503 . 0 0 "[ ]" 1
420 1 41 ASP HA 1 44 ASN QB 5.000 . 5.900 2.211 2.211 2.211 . 0 0 "[ ]" 1
421 1 42 LEU HA 1 42 LEU MD1 3.500 . 4.500 3.312 3.312 3.312 . 0 0 "[ ]" 1
422 1 42 LEU HA 1 45 ILE QG 5.000 . 5.900 2.968 2.968 2.968 . 0 0 "[ ]" 1
423 1 42 LEU QB 1 48 ILE MG 3.500 . 5.400 3.908 3.908 3.908 . 0 0 "[ ]" 1
424 1 42 LEU MD1 1 48 ILE HB 5.000 . 6.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
425 1 43 LYS HA 1 48 ILE HB 5.000 . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
426 1 45 ILE HA 1 45 ILE QG 3.500 . 4.400 2.360 2.360 2.360 . 0 0 "[ ]" 1
427 1 45 ILE HA 1 46 PRO QD 3.500 . 4.400 1.870 1.870 1.870 . 0 0 "[ ]" 1
428 1 45 ILE HB 1 48 ILE HB 5.000 . 5.000 1.861 1.861 1.861 . 0 0 "[ ]" 1
429 1 45 ILE HB 1 48 ILE QG 5.000 . 5.900 2.033 2.033 2.033 . 0 0 "[ ]" 1
430 1 45 ILE MG 1 46 PRO QD 5.000 . 6.900 1.821 1.821 1.821 . 0 0 "[ ]" 1
431 1 46 PRO HA 1 46 PRO QD 2.800 . 3.700 3.459 3.459 3.459 . 0 0 "[ ]" 1
432 1 46 PRO HA 1 46 PRO QG 3.500 . 4.400 3.553 3.553 3.553 . 0 0 "[ ]" 1
433 1 48 ILE HA 1 52 SER QB 3.500 . 4.400 2.992 2.992 2.992 . 0 0 "[ ]" 1
434 1 48 ILE QG 1 52 SER QB 5.000 . 6.800 3.817 3.817 3.817 . 0 0 "[ ]" 1
435 1 48 ILE MG 1 49 GLY QA 5.000 . 6.900 3.227 3.227 3.227 . 0 0 "[ ]" 1
436 1 48 ILE MG 1 52 SER HA 5.000 . 6.000 4.642 4.642 4.642 . 0 0 "[ ]" 1
437 1 48 ILE MG 1 52 SER QB 5.000 . 6.900 2.060 2.060 2.060 . 0 0 "[ ]" 1
438 1 50 GLU HA 1 53 LEU MD1 5.000 . 6.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
439 1 51 ARG HA 1 51 ARG QG 3.500 . 4.400 2.101 2.101 2.101 . 0 0 "[ ]" 1
440 1 52 SER HA 1 55 GLU QB 5.000 . 5.900 3.087 3.087 3.087 . 0 0 "[ ]" 1
441 1 54 GLU HA 1 57 LYS QE 3.500 . 4.400 3.026 3.026 3.026 . 0 0 "[ ]" 1
442 1 55 GLU HA 1 55 GLU QG 3.500 . 4.400 2.089 2.089 2.089 . 0 0 "[ ]" 1
443 1 56 ILE HA 1 56 ILE QG 2.800 . 3.700 2.319 2.319 2.319 . 0 0 "[ ]" 1
444 1 56 ILE HA 1 59 ALA MB 5.000 . 6.000 2.821 2.821 2.821 . 0 0 "[ ]" 1
445 1 56 ILE QG 1 59 ALA MB 5.000 . 6.900 4.216 4.216 4.216 . 0 0 "[ ]" 1
446 1 57 LYS HA 1 60 LEU QB 5.000 . 5.900 2.510 2.510 2.510 . 0 0 "[ ]" 1
447 1 57 LYS HA 1 60 LEU MD2 5.000 . 6.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
448 1 57 LYS QB 1 57 LYS QD 2.800 . 4.600 2.220 2.220 2.220 . 0 0 "[ ]" 1
449 1 57 LYS QG 1 58 GLU HA 3.500 . 4.400 3.340 3.340 3.340 . 0 0 "[ ]" 1
450 1 58 GLU QB 1 59 ALA MB 5.000 . 6.900 3.863 3.863 3.863 . 0 0 "[ ]" 1
451 1 59 ALA HA 1 62 LYS QE 5.000 . 5.900 4.211 4.211 4.211 . 0 0 "[ ]" 1
452 1 60 LEU HA 1 65 PHE QB 5.000 . 5.900 4.875 4.875 4.875 . 0 0 "[ ]" 1
453 1 60 LEU QB 1 65 PHE QB 5.000 . 6.800 5.304 5.304 5.304 . 0 0 "[ ]" 1
454 1 60 LEU MD2 1 65 PHE QB 5.000 . 6.900 5.004 5.004 5.004 . 0 0 "[ ]" 1
455 1 62 LYS HA 1 62 LYS QD 2.800 . 3.700 3.323 3.323 3.323 . 0 0 "[ ]" 1
456 1 62 LYS HA 1 62 LYS QE 5.000 . 5.900 4.607 4.607 4.607 . 0 0 "[ ]" 1
457 1 66 THR HA 1 66 THR HB 2.800 . 2.800 2.352 2.352 2.352 . 0 0 "[ ]" 1
458 1 67 LEU HA 1 67 LEU HG 3.500 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
459 1 21 HIS HA 1 21 HIS HD2 5.000 . 5.000 3.418 3.418 3.418 . 0 0 "[ ]" 1
460 1 65 PHE HA 1 65 PHE QD 2.800 . 4.800 3.704 3.704 3.704 . 0 0 "[ ]" 1
461 1 65 PHE QB 1 65 PHE QD 2.800 . 5.700 2.144 2.144 2.144 . 0 0 "[ ]" 1
462 1 35 LEU HA 1 65 PHE QD 5.000 . 7.000 3.379 3.379 3.379 . 0 0 "[ ]" 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 6
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 31 VAL 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 62 LYS 0.000 0.000 . 0 "[ ]"
1 63 LYS 0.000 0.000 . 0 "[ ]"
1 65 PHE 0.000 0.000 . 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
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 31 VAL QG 1 65 PHE QE 5.000 . 9.500 2.112 2.112 2.112 . 0 0 "[ ]" 2
2 1 35 LEU QD 1 65 PHE QE 5.000 . 9.500 3.086 3.086 3.086 . 0 0 "[ ]" 2
3 1 65 PHE QE 1 68 LYS QB 3.500 . 6.400 3.444 3.444 3.444 . 0 0 "[ ]" 2
4 1 63 LYS QB 1 65 PHE QE 3.500 . 6.400 2.332 2.332 2.332 . 0 0 "[ ]" 2
5 1 35 LEU QB 1 65 PHE QE 5.000 . 7.900 2.259 2.259 2.259 . 0 0 "[ ]" 2
6 1 62 LYS QB 1 65 PHE QE 5.000 . 7.900 4.885 4.885 4.885 . 0 0 "[ ]" 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 38
_Distance_constraint_stats_list.Viol_count 29
_Distance_constraint_stats_list.Viol_total 1.727
_Distance_constraint_stats_list.Viol_max 0.169
_Distance_constraint_stats_list.Viol_rms 0.0422
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0454
_Distance_constraint_stats_list.Viol_average_violations_only 0.0595
_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 9 PRO 0.069 0.069 1 0 "[ ]"
1 13 LEU 0.069 0.069 1 0 "[ ]"
1 19 VAL 0.144 0.075 1 0 "[ ]"
1 20 LEU 0.078 0.078 1 0 "[ ]"
1 21 HIS 0.093 0.093 1 0 "[ ]"
1 22 SER 0.178 0.169 1 0 "[ ]"
1 23 LEU 0.144 0.075 1 0 "[ ]"
1 24 LYS 0.293 0.166 1 0 "[ ]"
1 25 GLU 0.093 0.093 1 0 "[ ]"
1 26 GLU 0.178 0.169 1 0 "[ ]"
1 28 ILE 0.215 0.166 1 0 "[ ]"
1 30 SER 0.105 0.072 1 0 "[ ]"
1 31 VAL 0.057 0.057 1 0 "[ ]"
1 32 ARG 0.072 0.072 1 0 "[ ]"
1 33 ALA 0.062 0.062 1 0 "[ ]"
1 34 LEU 0.105 0.072 1 0 "[ ]"
1 35 LEU 0.057 0.057 1 0 "[ ]"
1 36 ALA 0.072 0.072 1 0 "[ ]"
1 37 LEU 0.062 0.062 1 0 "[ ]"
1 41 ASP 0.063 0.063 1 0 "[ ]"
1 45 ILE 0.063 0.063 1 0 "[ ]"
1 49 GLY 0.074 0.052 1 0 "[ ]"
1 52 SER 0.073 0.055 1 0 "[ ]"
1 53 LEU 0.146 0.052 1 0 "[ ]"
1 54 GLU 0.090 0.063 1 0 "[ ]"
1 55 GLU 0.056 0.056 1 0 "[ ]"
1 56 ILE 0.157 0.078 1 0 "[ ]"
1 57 LYS 0.143 0.071 1 0 "[ ]"
1 58 GLU 0.090 0.063 1 0 "[ ]"
1 59 ALA 0.126 0.064 1 0 "[ ]"
1 60 LEU 0.084 0.078 1 0 "[ ]"
1 61 GLU 0.071 0.071 1 0 "[ ]"
1 63 LYS 0.070 0.064 1 0 "[ ]"
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 PRO O 1 13 LEU H 2.000 . 2.000 2.069 2.069 2.069 0.069 1 0 "[ ]" 3
2 1 9 PRO O 1 13 LEU N 3.000 2.700 3.000 2.941 2.941 2.941 . 0 0 "[ ]" 3
3 1 19 VAL O 1 23 LEU H 2.000 . 2.000 2.075 2.075 2.075 0.075 1 0 "[ ]" 3
4 1 19 VAL O 1 23 LEU N 3.000 2.700 3.000 2.631 2.631 2.631 0.069 1 0 "[ ]" 3
5 1 20 LEU O 1 24 LYS H 2.000 . 2.000 2.078 2.078 2.078 0.078 1 0 "[ ]" 3
6 1 20 LEU O 1 24 LYS N 3.000 2.700 3.000 2.888 2.888 2.888 . 0 0 "[ ]" 3
7 1 21 HIS O 1 25 GLU H 2.000 . 2.000 2.093 2.093 2.093 0.093 1 0 "[ ]" 3
8 1 21 HIS O 1 25 GLU N 3.000 2.700 3.000 2.927 2.927 2.927 . 0 0 "[ ]" 3
9 1 22 SER O 1 26 GLU H 2.000 . 2.000 2.009 2.009 2.009 0.009 1 0 "[ ]" 3
10 1 22 SER O 1 26 GLU N 3.000 2.700 3.000 2.531 2.531 2.531 0.169 1 0 "[ ]" 3
11 1 24 LYS O 1 28 ILE H 2.000 . 2.000 2.166 2.166 2.166 0.166 1 0 "[ ]" 3
12 1 24 LYS O 1 28 ILE N 3.000 2.700 3.000 3.049 3.049 3.049 0.049 1 0 "[ ]" 3
13 1 30 SER O 1 34 LEU H 2.000 . 2.000 2.072 2.072 2.072 0.072 1 0 "[ ]" 3
14 1 30 SER O 1 34 LEU N 3.000 2.700 3.000 3.034 3.034 3.034 0.034 1 0 "[ ]" 3
15 1 31 VAL O 1 35 LEU H 2.000 . 2.000 2.057 2.057 2.057 0.057 1 0 "[ ]" 3
16 1 31 VAL O 1 35 LEU N 3.000 2.700 3.000 2.758 2.758 2.758 . 0 0 "[ ]" 3
17 1 32 ARG O 1 36 ALA H 2.000 . 2.000 2.072 2.072 2.072 0.072 1 0 "[ ]" 3
18 1 32 ARG O 1 36 ALA N 3.000 2.700 3.000 2.934 2.934 2.934 . 0 0 "[ ]" 3
19 1 33 ALA O 1 37 LEU H 2.000 . 2.000 2.062 2.062 2.062 0.062 1 0 "[ ]" 3
20 1 33 ALA O 1 37 LEU N 3.000 2.700 3.000 2.987 2.987 2.987 . 0 0 "[ ]" 3
21 1 41 ASP O 1 45 ILE H 2.000 . 2.000 2.063 2.063 2.063 0.063 1 0 "[ ]" 3
22 1 41 ASP O 1 45 ILE N 3.000 2.700 3.000 2.973 2.973 2.973 . 0 0 "[ ]" 3
23 1 49 GLY O 1 53 LEU H 2.000 . 2.000 2.052 2.052 2.052 0.052 1 0 "[ ]" 3
24 1 49 GLY O 1 53 LEU N 3.000 2.700 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 3
25 1 52 SER O 1 56 ILE H 2.000 . 2.000 2.055 2.055 2.055 0.055 1 0 "[ ]" 3
26 1 52 SER O 1 56 ILE N 3.000 2.700 3.000 3.018 3.018 3.018 0.018 1 0 "[ ]" 3
27 1 53 LEU O 1 57 LYS H 2.000 . 2.000 2.048 2.048 2.048 0.048 1 0 "[ ]" 3
28 1 53 LEU O 1 57 LYS N 3.000 2.700 3.000 3.024 3.024 3.024 0.024 1 0 "[ ]" 3
29 1 54 GLU O 1 58 GLU H 2.000 . 2.000 2.063 2.063 2.063 0.063 1 0 "[ ]" 3
30 1 54 GLU O 1 58 GLU N 3.000 2.700 3.000 3.027 3.027 3.027 0.027 1 0 "[ ]" 3
31 1 55 GLU O 1 59 ALA H 2.000 . 2.000 2.056 2.056 2.056 0.056 1 0 "[ ]" 3
32 1 55 GLU O 1 59 ALA N 3.000 2.700 3.000 2.972 2.972 2.972 . 0 0 "[ ]" 3
33 1 56 ILE O 1 60 LEU H 2.000 . 2.000 2.078 2.078 2.078 0.078 1 0 "[ ]" 3
34 1 56 ILE O 1 60 LEU N 3.000 2.700 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 3
35 1 57 LYS O 1 61 GLU H 2.000 . 2.000 2.071 2.071 2.071 0.071 1 0 "[ ]" 3
36 1 57 LYS O 1 61 GLU N 3.000 2.700 3.000 2.758 2.758 2.758 . 0 0 "[ ]" 3
37 1 59 ALA O 1 63 LYS H 2.000 . 2.000 2.064 2.064 2.064 0.064 1 0 "[ ]" 3
38 1 59 ALA O 1 63 LYS N 3.000 2.700 3.000 3.006 3.006 3.006 0.006 1 0 "[ ]" 3
stop_
save_
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