NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
531635 |
1cye   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cye
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 131
_Distance_constraint_stats_list.Viol_count 203
_Distance_constraint_stats_list.Viol_total 209.279
_Distance_constraint_stats_list.Viol_max 0.276
_Distance_constraint_stats_list.Viol_rms 0.0223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0515
_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 4 LYS 1.297 0.276 16 0 "[ . 1 . 2]"
1 5 GLU 1.297 0.276 16 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.180 0.042 15 0 "[ . 1 . 2]"
1 21 VAL 0.180 0.042 15 0 "[ . 1 . 2]"
1 22 ARG 0.098 0.033 13 0 "[ . 1 . 2]"
1 23 ASN 0.098 0.033 13 0 "[ . 1 . 2]"
1 24 LEU 0.024 0.024 2 0 "[ . 1 . 2]"
1 25 LEU 0.086 0.040 10 0 "[ . 1 . 2]"
1 26 LYS 0.063 0.040 10 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 3.858 0.242 19 0 "[ . 1 . 2]"
1 38 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.261 0.057 18 0 "[ . 1 . 2]"
1 41 ASP 3.935 0.242 19 0 "[ . 1 . 2]"
1 42 ALA 0.184 0.044 8 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.234 0.037 4 0 "[ . 1 . 2]"
1 45 LYS 0.283 0.037 4 0 "[ . 1 . 2]"
1 46 LEU 0.136 0.035 8 0 "[ . 1 . 2]"
1 47 GLN 0.118 0.035 8 0 "[ . 1 . 2]"
1 48 ALA 0.031 0.030 5 0 "[ . 1 . 2]"
1 49 GLY 0.010 0.007 4 0 "[ . 1 . 2]"
1 51 TYR 0.010 0.007 4 0 "[ . 1 . 2]"
1 52 GLY 0.005 0.005 4 0 "[ . 1 . 2]"
1 53 PHE 0.005 0.005 4 0 "[ . 1 . 2]"
1 54 VAL 0.057 0.049 8 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 MET 0.077 0.056 17 0 "[ . 1 . 2]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.077 0.056 17 0 "[ . 1 . 2]"
1 65 GLY 1.321 0.101 9 0 "[ . 1 . 2]"
1 66 LEU 1.337 0.101 9 0 "[ . 1 . 2]"
1 67 GLU 0.201 0.112 5 0 "[ . 1 . 2]"
1 68 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.100 0.025 14 0 "[ . 1 . 2]"
1 70 LYS 0.285 0.112 5 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 1.020 0.137 11 0 "[ . 1 . 2]"
1 74 ALA 0.382 0.052 20 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.368 0.192 2 0 "[ . 1 . 2]"
1 77 ALA 0.368 0.192 2 0 "[ . 1 . 2]"
1 78 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 VAL 0.695 0.137 11 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ILE 0.019 0.019 15 0 "[ . 1 . 2]"
1 96 ILE 0.025 0.019 15 0 "[ . 1 . 2]"
1 97 ALA 0.035 0.020 13 0 "[ . 1 . 2]"
1 98 ALA 0.012 0.007 12 0 "[ . 1 . 2]"
1 99 ALA 0.005 0.005 4 0 "[ . 1 . 2]"
1 100 GLN 0.022 0.020 13 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LEU 0.015 0.015 13 0 "[ . 1 . 2]"
1 117 GLU 0.051 0.015 13 0 "[ . 1 . 2]"
1 118 GLU 0.088 0.015 19 0 "[ . 1 . 2]"
1 119 LYS 0.051 0.015 19 0 "[ . 1 . 2]"
1 120 LEU 0.039 0.027 15 0 "[ . 1 . 2]"
1 121 ASN 0.271 0.062 16 0 "[ . 1 . 2]"
1 122 LYS 0.290 0.062 16 0 "[ . 1 . 2]"
1 123 ILE 0.065 0.017 10 0 "[ . 1 . 2]"
1 124 PHE 0.007 0.007 15 0 "[ . 1 . 2]"
1 125 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 LEU 0.624 0.275 15 0 "[ . 1 . 2]"
1 128 GLY 0.624 0.275 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 4 LYS H 1 5 GLU H . . 3.000 2.950 2.205 3.276 0.276 16 0 "[ . 1 . 2]" 1
2 1 5 GLU H 1 6 LEU H . . 4.000 3.323 2.826 3.809 . 0 0 "[ . 1 . 2]" 1
3 1 7 LYS H 1 52 GLY H . . 4.000 3.370 3.053 3.672 . 0 0 "[ . 1 . 2]" 1
4 1 8 PHE CG 1 9 LEU H . . 6.200 4.497 4.254 4.675 . 0 0 "[ . 1 . 2]" 1
5 1 8 PHE CG 1 30 PHE CG . . 8.400 5.645 5.453 5.875 . 0 0 "[ . 1 . 2]" 1
6 1 8 PHE CZ 1 8 PHE H . . 7.200 5.457 5.109 5.775 . 0 0 "[ . 1 . 2]" 1
7 1 8 PHE CZ 1 30 PHE CG . . 7.400 3.994 3.831 4.204 . 0 0 "[ . 1 . 2]" 1
8 1 8 PHE CZ 1 30 PHE CZ . . 8.400 4.697 4.336 5.092 . 0 0 "[ . 1 . 2]" 1
9 1 8 PHE H 1 9 LEU H . . 5.000 4.546 4.504 4.602 . 0 0 "[ . 1 . 2]" 1
10 1 9 LEU H 1 53 PHE H . . 5.000 4.159 3.974 4.372 . 0 0 "[ . 1 . 2]" 1
11 1 9 LEU H 1 55 ILE H . . 5.000 3.595 3.436 3.803 . 0 0 "[ . 1 . 2]" 1
12 1 10 VAL H 1 11 VAL H . . 5.000 4.236 4.105 4.400 . 0 0 "[ . 1 . 2]" 1
13 1 10 VAL H 1 34 GLU H . . 4.000 3.508 3.327 3.716 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL H 1 36 ALA H . . 5.000 3.932 3.741 4.208 . 0 0 "[ . 1 . 2]" 1
15 1 11 VAL H 1 57 ASP H . . 5.000 4.315 4.015 4.735 . 0 0 "[ . 1 . 2]" 1
16 1 12 ASP H 1 36 ALA H . . 5.000 3.848 3.646 4.267 . 0 0 "[ . 1 . 2]" 1
17 1 13 ASP H 1 14 PHE H . . 4.000 3.061 2.651 3.835 . 0 0 "[ . 1 . 2]" 1
18 1 14 PHE CG 1 17 MET H . . 7.200 3.510 3.141 4.186 . 0 0 "[ . 1 . 2]" 1
19 1 17 MET H 1 18 ARG H . . 3.000 2.705 2.596 2.848 . 0 0 "[ . 1 . 2]" 1
20 1 19 ARG H 1 20 ILE H . . 3.000 2.887 2.762 2.970 . 0 0 "[ . 1 . 2]" 1
21 1 19 ARG H 1 21 VAL H . . 5.000 4.601 4.450 4.853 . 0 0 "[ . 1 . 2]" 1
22 1 20 ILE H 1 21 VAL H . . 3.000 2.979 2.841 3.042 0.042 15 0 "[ . 1 . 2]" 1
23 1 20 ILE H 1 22 ARG H . . 5.000 4.366 4.205 4.482 . 0 0 "[ . 1 . 2]" 1
24 1 21 VAL H 1 22 ARG H . . 3.000 2.834 2.718 2.919 . 0 0 "[ . 1 . 2]" 1
25 1 21 VAL H 1 24 LEU H . . 5.000 4.841 4.739 4.961 . 0 0 "[ . 1 . 2]" 1
26 1 22 ARG H 1 23 ASN H . . 3.000 2.960 2.869 3.033 0.033 13 0 "[ . 1 . 2]" 1
27 1 24 LEU H 1 25 LEU H . . 3.000 2.903 2.810 3.024 0.024 2 0 "[ . 1 . 2]" 1
28 1 24 LEU H 1 26 LYS H . . 5.000 4.335 4.164 4.497 . 0 0 "[ . 1 . 2]" 1
29 1 25 LEU H 1 26 LYS H . . 3.000 2.957 2.867 3.040 0.040 10 0 "[ . 1 . 2]" 1
30 1 27 GLU H 1 28 LEU H . . 3.000 2.803 2.724 2.892 . 0 0 "[ . 1 . 2]" 1
31 1 28 LEU H 1 29 GLY H . . 3.000 2.709 2.612 2.770 . 0 0 "[ . 1 . 2]" 1
32 1 28 LEU H 1 30 PHE H . . 5.000 3.771 3.604 3.977 . 0 0 "[ . 1 . 2]" 1
33 1 29 GLY H 1 30 PHE H . . 3.000 2.394 2.282 2.497 . 0 0 "[ . 1 . 2]" 1
34 1 31 ASN H 1 32 ASN H . . 4.000 2.943 2.655 3.174 . 0 0 "[ . 1 . 2]" 1
35 1 37 GLU H 1 38 ASP H . . 3.000 2.474 2.246 2.892 . 0 0 "[ . 1 . 2]" 1
36 1 37 GLU H 1 41 ASP H . . 5.000 5.184 5.114 5.242 0.242 19 0 "[ . 1 . 2]" 1
37 1 37 GLU H 1 42 ALA H . . 5.000 4.942 4.698 5.044 0.044 8 0 "[ . 1 . 2]" 1
38 1 38 ASP H 1 41 ASP H . . 4.000 3.676 3.250 3.973 . 0 0 "[ . 1 . 2]" 1
39 1 38 ASP H 1 42 ALA H . . 5.000 3.772 3.520 3.942 . 0 0 "[ . 1 . 2]" 1
40 1 39 GLY H 1 40 VAL H . . 4.000 3.251 3.190 3.355 . 0 0 "[ . 1 . 2]" 1
41 1 39 GLY H 1 41 ASP H . . 5.000 4.803 4.723 4.899 . 0 0 "[ . 1 . 2]" 1
42 1 39 GLY H 1 63 MET H . . 5.000 3.522 3.217 3.825 . 0 0 "[ . 1 . 2]" 1
43 1 40 VAL H 1 41 ASP H . . 3.000 2.972 2.834 3.057 0.057 18 0 "[ . 1 . 2]" 1
44 1 40 VAL H 1 42 ALA H . . 5.000 4.140 3.959 4.226 . 0 0 "[ . 1 . 2]" 1
45 1 41 ASP H 1 42 ALA H . . 3.000 2.715 2.579 2.840 . 0 0 "[ . 1 . 2]" 1
46 1 42 ALA H 1 43 LEU H . . 3.000 2.784 2.694 2.877 . 0 0 "[ . 1 . 2]" 1
47 1 43 LEU H 1 44 ASN H . . 3.000 2.853 2.734 2.980 . 0 0 "[ . 1 . 2]" 1
48 1 44 ASN H 1 45 LYS H . . 3.000 2.980 2.775 3.037 0.037 4 0 "[ . 1 . 2]" 1
49 1 45 LYS H 1 46 LEU H . . 3.000 2.946 2.804 3.017 0.017 16 0 "[ . 1 . 2]" 1
50 1 46 LEU H 1 47 GLN H . . 3.000 2.919 2.764 3.035 0.035 8 0 "[ . 1 . 2]" 1
51 1 47 GLN H 1 48 ALA H . . 3.000 2.881 2.520 3.030 0.030 5 0 "[ . 1 . 2]" 1
52 1 49 GLY H 1 51 TYR H . . 5.000 4.448 4.102 5.007 0.007 4 0 "[ . 1 . 2]" 1
53 1 51 TYR CG 1 52 GLY H . . 6.200 4.631 4.371 4.808 . 0 0 "[ . 1 . 2]" 1
54 1 52 GLY H 1 53 PHE H . . 3.000 2.580 2.320 3.005 0.005 4 0 "[ . 1 . 2]" 1
55 1 54 VAL H 1 83 VAL H . . 5.000 4.890 4.813 5.049 0.049 8 0 "[ . 1 . 2]" 1
56 1 56 SER H 1 84 LEU H . . 5.000 3.583 3.415 3.789 . 0 0 "[ . 1 . 2]" 1
57 1 56 SER H 1 86 VAL H . . 5.000 3.587 3.389 3.811 . 0 0 "[ . 1 . 2]" 1
58 1 56 SER HG 1 57 ASP H . . 4.000 3.018 2.494 3.923 . 0 0 "[ . 1 . 2]" 1
59 1 58 TRP H 1 86 VAL H . . 5.000 3.540 3.253 3.814 . 0 0 "[ . 1 . 2]" 1
60 1 60 MET H 1 64 ASP H . . 5.000 4.800 4.506 5.056 0.056 17 0 "[ . 1 . 2]" 1
61 1 60 MET H 1 65 GLY H . . 5.000 3.344 2.966 3.547 . 0 0 "[ . 1 . 2]" 1
62 1 62 ASN H 1 63 MET H . . 5.000 3.855 3.667 4.043 . 0 0 "[ . 1 . 2]" 1
63 1 63 MET H 1 64 ASP H . . 5.000 3.852 3.696 4.008 . 0 0 "[ . 1 . 2]" 1
64 1 65 GLY H 1 66 LEU H . . 3.000 3.066 3.025 3.101 0.101 9 0 "[ . 1 . 2]" 1
65 1 65 GLY H 1 67 GLU H . . 5.000 4.436 4.272 4.784 . 0 0 "[ . 1 . 2]" 1
66 1 65 GLY H 1 68 LEU H . . 5.000 4.801 4.718 4.944 . 0 0 "[ . 1 . 2]" 1
67 1 66 LEU H 1 67 GLU H . . 3.000 2.841 2.731 3.016 0.016 3 0 "[ . 1 . 2]" 1
68 1 66 LEU H 1 68 LEU H . . 5.000 4.305 4.223 4.421 . 0 0 "[ . 1 . 2]" 1
69 1 67 GLU H 1 68 LEU H . . 3.000 2.687 2.530 2.784 . 0 0 "[ . 1 . 2]" 1
70 1 67 GLU H 1 70 LYS H . . 5.000 4.935 4.795 5.112 0.112 5 0 "[ . 1 . 2]" 1
71 1 68 LEU H 1 69 LEU H . . 3.000 2.808 2.714 2.871 . 0 0 "[ . 1 . 2]" 1
72 1 69 LEU H 1 70 LYS H . . 3.000 2.965 2.885 3.025 0.025 14 0 "[ . 1 . 2]" 1
73 1 69 LEU H 1 71 THR H . . 5.000 4.437 4.342 4.588 . 0 0 "[ . 1 . 2]" 1
74 1 70 LYS H 1 71 THR H . . 3.000 2.904 2.776 2.976 . 0 0 "[ . 1 . 2]" 1
75 1 71 THR H 1 72 ILE H . . 3.000 2.808 2.576 2.919 . 0 0 "[ . 1 . 2]" 1
76 1 72 ILE H 1 73 ARG H . . 3.000 2.555 2.315 2.780 . 0 0 "[ . 1 . 2]" 1
77 1 73 ARG CZ 1 83 VAL H . . 7.200 4.399 3.761 5.484 . 0 0 "[ . 1 . 2]" 1
78 1 73 ARG H 1 74 ALA H . . 3.000 3.012 2.930 3.052 0.052 20 0 "[ . 1 . 2]" 1
79 1 73 ARG HE 1 83 VAL H . . 5.000 4.877 4.505 5.137 0.137 11 0 "[ . 1 . 2]" 1
80 1 74 ALA H 1 75 ASP H . . 3.000 2.728 2.475 2.860 . 0 0 "[ . 1 . 2]" 1
81 1 76 GLY H 1 77 ALA H . . 4.000 3.788 3.287 4.192 0.192 2 0 "[ . 1 . 2]" 1
82 1 77 ALA H 1 78 MET H . . 4.000 2.819 2.266 2.916 . 0 0 "[ . 1 . 2]" 1
83 1 78 MET H 1 79 SER H . . 3.000 2.554 2.354 2.872 . 0 0 "[ . 1 . 2]" 1
84 1 79 SER H 1 80 ALA H . . 4.000 3.280 2.891 3.981 . 0 0 "[ . 1 . 2]" 1
85 1 80 ALA H 1 81 LEU H . . 4.000 2.829 1.874 3.307 . 0 0 "[ . 1 . 2]" 1
86 1 84 LEU H 1 85 MET H . . 5.000 4.170 4.054 4.252 . 0 0 "[ . 1 . 2]" 1
87 1 85 MET H 1 107 VAL H . . 5.000 4.083 3.928 4.184 . 0 0 "[ . 1 . 2]" 1
88 1 87 THR H 1 107 VAL H . . 4.000 3.477 3.230 3.890 . 0 0 "[ . 1 . 2]" 1
89 1 87 THR H 1 109 LYS H . . 5.000 3.843 3.415 4.387 . 0 0 "[ . 1 . 2]" 1
90 1 88 ALA H 1 89 GLU H . . 4.000 2.835 2.656 2.999 . 0 0 "[ . 1 . 2]" 1
91 1 89 GLU H 1 90 ALA H . . 5.000 4.124 3.481 4.423 . 0 0 "[ . 1 . 2]" 1
92 1 93 GLU H 1 94 ASN H . . 4.000 3.051 2.952 3.161 . 0 0 "[ . 1 . 2]" 1
93 1 94 ASN H 1 95 ILE H . . 4.000 2.665 2.453 2.927 . 0 0 "[ . 1 . 2]" 1
94 1 95 ILE H 1 96 ILE H . . 3.000 2.917 2.822 3.019 0.019 15 0 "[ . 1 . 2]" 1
95 1 96 ILE H 1 97 ALA H . . 3.000 2.900 2.761 3.006 0.006 20 0 "[ . 1 . 2]" 1
96 1 96 ILE H 1 98 ALA H . . 5.000 4.399 4.304 4.484 . 0 0 "[ . 1 . 2]" 1
97 1 97 ALA H 1 98 ALA H . . 3.000 2.945 2.890 3.007 0.007 12 0 "[ . 1 . 2]" 1
98 1 97 ALA H 1 99 ALA H . . 5.000 4.602 4.459 4.720 . 0 0 "[ . 1 . 2]" 1
99 1 97 ALA H 1 100 GLN H . . 5.000 4.939 4.841 5.020 0.020 13 0 "[ . 1 . 2]" 1
100 1 98 ALA H 1 99 ALA H . . 3.000 2.900 2.807 3.005 0.005 4 0 "[ . 1 . 2]" 1
101 1 98 ALA H 1 100 GLN H . . 5.000 4.371 4.252 4.491 . 0 0 "[ . 1 . 2]" 1
102 1 99 ALA H 1 100 GLN H . . 3.000 2.831 2.708 2.906 . 0 0 "[ . 1 . 2]" 1
103 1 99 ALA H 1 101 ALA H . . 5.000 4.319 4.189 4.507 . 0 0 "[ . 1 . 2]" 1
104 1 100 GLN H 1 101 ALA H . . 3.000 2.820 2.732 2.907 . 0 0 "[ . 1 . 2]" 1
105 1 102 GLY H 1 103 ALA H . . 3.000 2.516 2.253 2.658 . 0 0 "[ . 1 . 2]" 1
106 1 104 SER H 1 105 GLY H . . 3.000 2.699 2.562 2.878 . 0 0 "[ . 1 . 2]" 1
107 1 106 TYR CG 1 107 VAL H . . 5.200 4.311 3.646 4.543 . 0 0 "[ . 1 . 2]" 1
108 1 106 TYR CZ 1 107 VAL H . . 7.200 6.619 5.342 7.012 . 0 0 "[ . 1 . 2]" 1
109 1 111 PHE CG 1 112 THR H . . 6.200 4.149 3.935 4.429 . 0 0 "[ . 1 . 2]" 1
110 1 115 THR H 1 116 LEU H . . 3.000 2.805 2.695 2.863 . 0 0 "[ . 1 . 2]" 1
111 1 115 THR H 1 117 GLU H . . 5.000 4.409 4.224 4.564 . 0 0 "[ . 1 . 2]" 1
112 1 116 LEU H 1 117 GLU H . . 3.000 2.910 2.827 3.015 0.015 13 0 "[ . 1 . 2]" 1
113 1 116 LEU H 1 118 GLU H . . 5.000 4.388 4.266 4.479 . 0 0 "[ . 1 . 2]" 1
114 1 117 GLU H 1 118 GLU H . . 3.000 2.965 2.885 3.014 0.014 14 0 "[ . 1 . 2]" 1
115 1 118 GLU H 1 119 LYS H . . 3.000 2.961 2.873 3.015 0.015 19 0 "[ . 1 . 2]" 1
116 1 118 GLU H 1 120 LEU H . . 5.000 4.401 4.312 4.535 . 0 0 "[ . 1 . 2]" 1
117 1 119 LYS H 1 120 LEU H . . 3.000 2.758 2.699 2.829 . 0 0 "[ . 1 . 2]" 1
118 1 120 LEU H 1 121 ASN H . . 3.000 2.917 2.707 3.027 0.027 15 0 "[ . 1 . 2]" 1
119 1 121 ASN H 1 122 LYS H . . 3.000 2.983 2.756 3.062 0.062 16 0 "[ . 1 . 2]" 1
120 1 121 ASN H 1 123 ILE H . . 5.000 4.414 4.176 4.521 . 0 0 "[ . 1 . 2]" 1
121 1 122 LYS H 1 123 ILE H . . 3.000 2.952 2.837 3.017 0.017 10 0 "[ . 1 . 2]" 1
122 1 122 LYS H 1 124 PHE H . . 5.000 4.528 4.349 4.670 . 0 0 "[ . 1 . 2]" 1
123 1 123 ILE H 1 124 PHE H . . 3.000 2.887 2.735 3.007 0.007 15 0 "[ . 1 . 2]" 1
124 1 123 ILE H 1 125 GLU H . . 5.000 4.292 4.191 4.469 . 0 0 "[ . 1 . 2]" 1
125 1 124 PHE CZ 1 124 PHE H . . 7.200 4.448 4.360 4.573 . 0 0 "[ . 1 . 2]" 1
126 1 124 PHE H 1 125 GLU H . . 3.000 2.831 2.744 2.961 . 0 0 "[ . 1 . 2]" 1
127 1 124 PHE H 1 126 LYS H . . 5.000 4.450 4.316 4.604 . 0 0 "[ . 1 . 2]" 1
128 1 125 GLU H 1 126 LYS H . . 3.000 2.790 2.428 2.916 . 0 0 "[ . 1 . 2]" 1
129 1 125 GLU H 1 127 LEU H . . 5.000 4.219 3.842 4.859 . 0 0 "[ . 1 . 2]" 1
130 1 126 LYS H 1 127 LEU H . . 3.000 2.734 2.363 2.883 . 0 0 "[ . 1 . 2]" 1
131 1 127 LEU H 1 128 GLY H . . 3.000 2.908 2.397 3.275 0.275 15 0 "[ . 1 . 2]" 1
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