NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381095 |
1iv6   |
5317 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1iv6
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 716
_Distance_constraint_stats_list.Viol_count 276
_Distance_constraint_stats_list.Viol_total 155.101
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0281
_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
3 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
3 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 14 TRP 0.896 0.072 18 0 "[ . 1 . 2]"
3 15 LEU 0.728 0.084 5 0 "[ . 1 . 2]"
3 16 TRP 0.858 0.203 5 0 "[ . 1 . 2]"
3 17 GLU 1.768 0.136 12 0 "[ . 1 . 2]"
3 18 GLU 0.050 0.035 5 0 "[ . 1 . 2]"
3 19 ASP 0.350 0.254 18 0 "[ . 1 . 2]"
3 20 LYS 1.511 0.254 18 0 "[ . 1 . 2]"
3 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 22 LEU 1.603 0.186 17 0 "[ . 1 . 2]"
3 23 ARG 0.062 0.021 7 0 "[ . 1 . 2]"
3 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
3 26 VAL 1.085 0.186 17 0 "[ . 1 . 2]"
3 27 ARG 0.003 0.003 11 0 "[ . 1 . 2]"
3 28 LYS 0.139 0.040 12 0 "[ . 1 . 2]"
3 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
3 30 GLY 0.139 0.040 12 0 "[ . 1 . 2]"
3 31 GLU 0.011 0.006 1 0 "[ . 1 . 2]"
3 32 GLY 0.050 0.050 1 0 "[ . 1 . 2]"
3 33 ASN 0.142 0.029 11 0 "[ . 1 . 2]"
3 34 TRP 0.322 0.050 1 0 "[ . 1 . 2]"
3 35 SER 0.151 0.029 11 0 "[ . 1 . 2]"
3 36 LYS 0.004 0.004 9 0 "[ . 1 . 2]"
3 37 ILE 0.040 0.036 3 0 "[ . 1 . 2]"
3 38 LEU 0.009 0.005 5 0 "[ . 1 . 2]"
3 39 LEU 0.452 0.050 12 0 "[ . 1 . 2]"
3 40 HIS 0.297 0.036 3 0 "[ . 1 . 2]"
3 41 TYR 0.294 0.071 17 0 "[ . 1 . 2]"
3 42 LYS 0.103 0.071 17 0 "[ . 1 . 2]"
3 43 PHE 0.636 0.041 12 0 "[ . 1 . 2]"
3 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 45 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 46 ARG 0.338 0.036 13 0 "[ . 1 . 2]"
3 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
3 50 MET 0.062 0.032 8 0 "[ . 1 . 2]"
3 51 LEU 0.000 0.000 18 0 "[ . 1 . 2]"
3 52 LYS 0.009 0.009 4 0 "[ . 1 . 2]"
3 53 ASP 0.020 0.020 19 0 "[ . 1 . 2]"
3 54 ARG 0.226 0.100 14 0 "[ . 1 . 2]"
3 55 TRP 0.697 0.037 20 0 "[ . 1 . 2]"
3 56 ARG 0.046 0.020 19 0 "[ . 1 . 2]"
3 57 THR 0.066 0.039 12 0 "[ . 1 . 2]"
3 58 MET 0.003 0.003 20 0 "[ . 1 . 2]"
3 59 LYS 0.231 0.057 11 0 "[ . 1 . 2]"
3 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 61 LEU 0.239 0.088 17 0 "[ . 1 . 2]"
3 62 LYS 0.172 0.048 12 0 "[ . 1 . 2]"
3 63 LEU 0.400 0.088 17 0 "[ . 1 . 2]"
3 64 ILE 0.414 0.078 19 0 "[ . 1 . 2]"
3 65 SER 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 3 9 ARG H 3 9 ARG QD . . 6.000 4.424 3.695 5.378 . 0 0 "[ . 1 . 2]" 1
2 3 14 TRP H 3 14 TRP HB2 . . 3.500 2.373 2.269 2.466 . 0 0 "[ . 1 . 2]" 1
3 3 14 TRP H 3 14 TRP HD1 . . 3.500 2.262 2.092 2.432 . 0 0 "[ . 1 . 2]" 1
4 3 14 TRP H 3 14 TRP HE3 . . 6.000 5.650 5.600 5.774 . 0 0 "[ . 1 . 2]" 1
5 3 14 TRP HA 3 14 TRP HD1 . . 5.000 3.511 3.298 3.728 . 0 0 "[ . 1 . 2]" 1
6 3 14 TRP HA 3 14 TRP HE3 . . 5.000 4.125 3.857 4.383 . 0 0 "[ . 1 . 2]" 1
7 3 15 LEU H 3 15 LEU HG . . 5.000 3.438 2.321 4.590 . 0 0 "[ . 1 . 2]" 1
8 3 16 TRP H 3 16 TRP HD1 . . 5.000 2.911 2.072 4.285 . 0 0 "[ . 1 . 2]" 1
9 3 16 TRP H 3 16 TRP HE1 . . 5.000 4.623 3.938 5.203 0.203 5 0 "[ . 1 . 2]" 1
10 3 18 GLU H 3 18 GLU HB2 . . 2.800 2.535 2.418 2.677 . 0 0 "[ . 1 . 2]" 1
11 3 19 ASP H 3 19 ASP HB2 . . 3.500 2.385 2.072 2.675 . 0 0 "[ . 1 . 2]" 1
12 3 22 LEU H 3 22 LEU HB3 . . 3.500 2.466 2.357 2.616 . 0 0 "[ . 1 . 2]" 1
13 3 22 LEU H 3 22 LEU HB2 . . 3.500 2.507 2.317 2.633 . 0 0 "[ . 1 . 2]" 1
14 3 22 LEU H 3 22 LEU HG . . 5.000 4.452 4.392 4.542 . 0 0 "[ . 1 . 2]" 1
15 3 23 ARG H 3 23 ARG QD . . 6.000 4.205 3.225 4.808 . 0 0 "[ . 1 . 2]" 1
16 3 26 VAL H 3 26 VAL HB . . 3.500 2.463 2.342 2.536 . 0 0 "[ . 1 . 2]" 1
17 3 26 VAL H 3 26 VAL MG1 . . 4.300 3.773 3.727 3.796 . 0 0 "[ . 1 . 2]" 1
18 3 27 ARG H 3 27 ARG QD . . 6.000 4.242 2.508 4.951 . 0 0 "[ . 1 . 2]" 1
19 3 28 LYS H 3 28 LYS QE . . 6.000 4.479 2.929 5.346 . 0 0 "[ . 1 . 2]" 1
20 3 34 TRP H 3 34 TRP HB2 . . 3.500 2.790 2.542 2.937 . 0 0 "[ . 1 . 2]" 1
21 3 37 ILE H 3 37 ILE HB . . 2.800 2.383 2.216 2.673 . 0 0 "[ . 1 . 2]" 1
22 3 37 ILE H 3 37 ILE QG . . 4.500 2.242 2.079 2.552 . 0 0 "[ . 1 . 2]" 1
23 3 38 LEU H 3 38 LEU QB . . 3.500 2.235 2.117 2.453 . 0 0 "[ . 1 . 2]" 1
24 3 38 LEU H 3 38 LEU HG . . 5.000 3.733 2.394 4.473 . 0 0 "[ . 1 . 2]" 1
25 3 39 LEU H 3 39 LEU HG . . 5.000 3.777 2.433 4.512 . 0 0 "[ . 1 . 2]" 1
26 3 43 PHE H 3 43 PHE HB2 . . 3.500 2.663 2.427 2.918 . 0 0 "[ . 1 . 2]" 1
27 3 43 PHE H 3 43 PHE QD . . 4.800 2.911 2.032 3.548 . 0 0 "[ . 1 . 2]" 1
28 3 46 ARG H 3 46 ARG HB2 . . 2.800 2.556 2.257 2.757 . 0 0 "[ . 1 . 2]" 1
29 3 46 ARG H 3 46 ARG QD . . 6.000 3.284 2.159 4.447 . 0 0 "[ . 1 . 2]" 1
30 3 49 VAL H 3 49 VAL HB . . 3.500 2.507 2.396 2.666 . 0 0 "[ . 1 . 2]" 1
31 3 50 MET H 3 50 MET QG . . 4.500 2.754 2.100 4.017 . 0 0 "[ . 1 . 2]" 1
32 3 51 LEU H 3 51 LEU HB2 . . 3.500 2.341 2.253 2.466 . 0 0 "[ . 1 . 2]" 1
33 3 51 LEU H 3 51 LEU HG . . 5.000 2.622 2.204 3.869 . 0 0 "[ . 1 . 2]" 1
34 3 52 LYS H 3 52 LYS QE . . 6.000 4.430 3.610 5.412 . 0 0 "[ . 1 . 2]" 1
35 3 54 ARG H 3 54 ARG HB3 . . 3.500 2.640 2.430 2.995 . 0 0 "[ . 1 . 2]" 1
36 3 54 ARG H 3 54 ARG HB2 . . 3.500 2.447 2.138 2.621 . 0 0 "[ . 1 . 2]" 1
37 3 54 ARG HA 3 54 ARG HE . . 5.000 4.817 4.050 5.100 0.100 14 0 "[ . 1 . 2]" 1
38 3 55 TRP H 3 55 TRP HD1 . . 5.000 5.010 4.927 5.037 0.037 20 0 "[ . 1 . 2]" 1
39 3 55 TRP H 3 55 TRP HE3 . . 5.000 4.559 4.299 4.830 . 0 0 "[ . 1 . 2]" 1
40 3 56 ARG H 3 56 ARG QB . . 3.600 2.272 2.156 2.620 . 0 0 "[ . 1 . 2]" 1
41 3 57 THR H 3 57 THR HB . . 3.000 2.508 2.292 2.633 . 0 0 "[ . 1 . 2]" 1
42 3 58 MET H 3 58 MET QG . . 4.500 3.546 2.269 3.992 . 0 0 "[ . 1 . 2]" 1
43 3 58 MET H 3 58 MET ME . . 6.500 4.704 4.070 5.443 . 0 0 "[ . 1 . 2]" 1
44 3 59 LYS H 3 59 LYS QG . . 4.500 2.945 2.174 3.983 . 0 0 "[ . 1 . 2]" 1
45 3 59 LYS H 3 59 LYS QD . . 6.000 4.065 3.490 4.784 . 0 0 "[ . 1 . 2]" 1
46 3 60 LYS H 3 60 LYS QB . . 3.600 2.263 2.112 2.568 . 0 0 "[ . 1 . 2]" 1
47 3 60 LYS H 3 60 LYS QG . . 4.500 3.315 2.261 4.035 . 0 0 "[ . 1 . 2]" 1
48 3 60 LYS H 3 60 LYS QD . . 6.000 4.211 3.853 4.684 . 0 0 "[ . 1 . 2]" 1
49 3 61 LEU H 3 61 LEU HG . . 5.000 3.819 2.314 4.778 . 0 0 "[ . 1 . 2]" 1
50 3 64 ILE H 3 64 ILE HB . . 3.000 2.620 2.113 3.078 0.078 19 0 "[ . 1 . 2]" 1
51 3 64 ILE H 3 64 ILE QG . . 4.500 2.708 1.877 3.996 . 0 0 "[ . 1 . 2]" 1
52 3 9 ARG HA 3 10 LYS H . . 4.000 2.513 2.122 3.570 . 0 0 "[ . 1 . 2]" 1
53 3 10 LYS HA 3 11 ARG H . . 4.000 2.626 2.103 3.609 . 0 0 "[ . 1 . 2]" 1
54 3 11 ARG HA 3 12 GLN H . . 4.000 2.286 2.111 2.679 . 0 0 "[ . 1 . 2]" 1
55 3 12 GLN HA 3 13 ALA H . . 4.000 2.283 2.122 2.459 . 0 0 "[ . 1 . 2]" 1
56 3 13 ALA HA 3 14 TRP H . . 4.000 2.296 2.205 2.481 . 0 0 "[ . 1 . 2]" 1
57 3 14 TRP HA 3 15 LEU H . . 4.000 2.198 2.090 2.401 . 0 0 "[ . 1 . 2]" 1
58 3 15 LEU HA 3 16 TRP H . . 5.000 2.501 2.321 2.659 . 0 0 "[ . 1 . 2]" 1
59 3 16 TRP HA 3 17 GLU H . . 5.000 3.594 3.461 3.697 . 0 0 "[ . 1 . 2]" 1
60 3 17 GLU HA 3 18 GLU H . . 5.000 3.578 3.491 3.636 . 0 0 "[ . 1 . 2]" 1
61 3 18 GLU HA 3 19 ASP H . . 5.000 3.627 3.584 3.664 . 0 0 "[ . 1 . 2]" 1
62 3 19 ASP HA 3 20 LYS H . . 5.000 3.543 3.404 3.632 . 0 0 "[ . 1 . 2]" 1
63 3 20 LYS HA 3 21 ASN H . . 5.000 3.614 3.567 3.648 . 0 0 "[ . 1 . 2]" 1
64 3 21 ASN HA 3 22 LEU H . . 5.000 3.597 3.553 3.634 . 0 0 "[ . 1 . 2]" 1
65 3 22 LEU HA 3 23 ARG H . . 5.000 3.590 3.569 3.622 . 0 0 "[ . 1 . 2]" 1
66 3 23 ARG HA 3 24 SER H . . 5.000 3.603 3.575 3.630 . 0 0 "[ . 1 . 2]" 1
67 3 24 SER HA 3 25 GLY H . . 5.000 3.584 3.550 3.613 . 0 0 "[ . 1 . 2]" 1
68 3 25 GLY HA2 3 26 VAL H . . 5.000 3.613 3.591 3.632 . 0 0 "[ . 1 . 2]" 1
69 3 25 GLY HA3 3 26 VAL H . . 5.000 2.696 2.609 2.807 . 0 0 "[ . 1 . 2]" 1
70 3 26 VAL HA 3 27 ARG H . . 5.000 3.615 3.593 3.667 . 0 0 "[ . 1 . 2]" 1
71 3 27 ARG HA 3 28 LYS H . . 5.000 3.565 3.513 3.626 . 0 0 "[ . 1 . 2]" 1
72 3 28 LYS HA 3 29 TYR H . . 5.000 3.589 3.511 3.622 . 0 0 "[ . 1 . 2]" 1
73 3 29 TYR HA 3 30 GLY H . . 5.000 3.428 3.194 3.557 . 0 0 "[ . 1 . 2]" 1
74 3 30 GLY QA 3 31 GLU H . . 4.500 2.274 2.173 2.325 . 0 0 "[ . 1 . 2]" 1
75 3 31 GLU HA 3 32 GLY H . . 4.000 2.458 2.293 3.562 . 0 0 "[ . 1 . 2]" 1
76 3 32 GLY QA 3 33 ASN H . . 6.000 2.691 2.549 2.892 . 0 0 "[ . 1 . 2]" 1
77 3 33 ASN HA 3 34 TRP H . . 5.000 2.782 2.596 3.017 . 0 0 "[ . 1 . 2]" 1
78 3 34 TRP HA 3 35 SER H . . 5.000 3.550 3.496 3.611 . 0 0 "[ . 1 . 2]" 1
79 3 35 SER HA 3 36 LYS H . . 5.000 3.577 3.523 3.630 . 0 0 "[ . 1 . 2]" 1
80 3 36 LYS HA 3 37 ILE H . . 5.000 3.598 3.570 3.623 . 0 0 "[ . 1 . 2]" 1
81 3 37 ILE HA 3 38 LEU H . . 5.000 3.603 3.563 3.660 . 0 0 "[ . 1 . 2]" 1
82 3 38 LEU HA 3 39 LEU H . . 5.000 3.592 3.543 3.628 . 0 0 "[ . 1 . 2]" 1
83 3 39 LEU HA 3 40 HIS H . . 4.000 3.587 3.564 3.600 . 0 0 "[ . 1 . 2]" 1
84 3 40 HIS HA 3 41 TYR H . . 5.000 3.590 3.559 3.622 . 0 0 "[ . 1 . 2]" 1
85 3 41 TYR HA 3 42 LYS H . . 3.000 2.300 2.085 3.071 0.071 17 0 "[ . 1 . 2]" 1
86 3 42 LYS HA 3 43 PHE H . . 3.000 2.298 2.131 2.456 . 0 0 "[ . 1 . 2]" 1
87 3 43 PHE HA 3 44 ASN H . . 3.000 2.578 2.340 2.792 . 0 0 "[ . 1 . 2]" 1
88 3 45 ASN HA 3 46 ARG H . . 3.000 2.571 2.372 2.914 . 0 0 "[ . 1 . 2]" 1
89 3 46 ARG HA 3 47 THR H . . 3.000 2.203 2.077 2.391 . 0 0 "[ . 1 . 2]" 1
90 3 47 THR HA 3 48 SER H . . 5.000 2.528 2.438 2.633 . 0 0 "[ . 1 . 2]" 1
91 3 48 SER HA 3 49 VAL H . . 5.000 3.561 3.507 3.585 . 0 0 "[ . 1 . 2]" 1
92 3 49 VAL HA 3 50 MET H . . 5.000 3.631 3.612 3.660 . 0 0 "[ . 1 . 2]" 1
93 3 50 MET HA 3 51 LEU H . . 5.000 3.586 3.555 3.617 . 0 0 "[ . 1 . 2]" 1
94 3 51 LEU HA 3 52 LYS H . . 5.000 3.600 3.563 3.663 . 0 0 "[ . 1 . 2]" 1
95 3 52 LYS HA 3 53 ASP H . . 5.000 3.612 3.574 3.669 . 0 0 "[ . 1 . 2]" 1
96 3 53 ASP HA 3 54 ARG H . . 5.000 3.595 3.522 3.625 . 0 0 "[ . 1 . 2]" 1
97 3 54 ARG HA 3 55 TRP H . . 5.000 3.643 3.618 3.677 . 0 0 "[ . 1 . 2]" 1
98 3 55 TRP HA 3 56 ARG H . . 5.000 3.580 3.523 3.635 . 0 0 "[ . 1 . 2]" 1
99 3 56 ARG HA 3 57 THR H . . 5.000 3.617 3.591 3.646 . 0 0 "[ . 1 . 2]" 1
100 3 57 THR HA 3 58 MET H . . 5.000 3.602 3.572 3.631 . 0 0 "[ . 1 . 2]" 1
101 3 58 MET HA 3 59 LYS H . . 5.000 3.609 3.554 3.666 . 0 0 "[ . 1 . 2]" 1
102 3 59 LYS HA 3 60 LYS H . . 5.000 3.571 3.374 3.622 . 0 0 "[ . 1 . 2]" 1
103 3 60 LYS HA 3 61 LEU H . . 5.000 3.549 2.928 3.629 . 0 0 "[ . 1 . 2]" 1
104 3 61 LEU HA 3 62 LYS H . . 5.000 3.508 2.721 3.655 . 0 0 "[ . 1 . 2]" 1
105 3 62 LYS HA 3 63 LEU H . . 4.000 3.313 2.459 3.574 . 0 0 "[ . 1 . 2]" 1
106 3 63 LEU HA 3 64 ILE H . . 4.000 2.577 2.153 3.524 . 0 0 "[ . 1 . 2]" 1
107 3 64 ILE HA 3 65 SER H . . 5.000 2.581 2.120 3.621 . 0 0 "[ . 1 . 2]" 1
108 3 15 LEU HA 3 17 GLU H . . 5.000 4.629 4.160 5.084 0.084 5 0 "[ . 1 . 2]" 1
109 3 16 TRP HA 3 18 GLU H . . 5.000 4.486 4.233 4.967 . 0 0 "[ . 1 . 2]" 1
110 3 17 GLU HA 3 19 ASP H . . 5.000 4.850 4.416 5.002 0.002 1 0 "[ . 1 . 2]" 1
111 3 20 LYS HA 3 22 LEU H . . 5.000 4.641 4.325 4.961 . 0 0 "[ . 1 . 2]" 1
112 3 26 VAL HA 3 28 LYS H . . 5.000 4.388 4.116 4.991 . 0 0 "[ . 1 . 2]" 1
113 3 28 LYS HA 3 30 GLY H . . 5.000 4.785 4.458 5.040 0.040 12 0 "[ . 1 . 2]" 1
114 3 31 GLU HA 3 33 ASN H . . 5.000 3.592 3.270 4.105 . 0 0 "[ . 1 . 2]" 1
115 3 33 ASN HA 3 35 SER H . . 5.000 3.612 3.182 4.366 . 0 0 "[ . 1 . 2]" 1
116 3 36 LYS HA 3 38 LEU H . . 5.000 4.582 4.287 4.856 . 0 0 "[ . 1 . 2]" 1
117 3 39 LEU HA 3 41 TYR H . . 5.000 4.894 4.553 5.050 0.050 12 0 "[ . 1 . 2]" 1
118 3 61 LEU HA 3 63 LEU H . . 5.000 4.719 4.283 5.088 0.088 17 0 "[ . 1 . 2]" 1
119 3 16 TRP HA 3 19 ASP H . . 5.000 3.455 2.852 4.183 . 0 0 "[ . 1 . 2]" 1
120 3 17 GLU HA 3 20 LYS H . . 4.000 3.919 2.963 4.136 0.136 12 0 "[ . 1 . 2]" 1
121 3 18 GLU HA 3 21 ASN H . . 5.000 3.861 3.529 4.196 . 0 0 "[ . 1 . 2]" 1
122 3 19 ASP HA 3 22 LEU H . . 4.000 3.571 3.228 3.842 . 0 0 "[ . 1 . 2]" 1
123 3 20 LYS HA 3 23 ARG H . . 4.000 3.748 3.304 4.013 0.013 15 0 "[ . 1 . 2]" 1
124 3 21 ASN HA 3 24 SER H . . 5.000 3.533 3.191 3.783 . 0 0 "[ . 1 . 2]" 1
125 3 22 LEU HA 3 25 GLY H . . 5.000 3.420 3.198 3.862 . 0 0 "[ . 1 . 2]" 1
126 3 23 ARG HA 3 26 VAL H . . 5.000 3.573 3.251 3.811 . 0 0 "[ . 1 . 2]" 1
127 3 24 SER HA 3 27 ARG H . . 5.000 3.608 3.412 3.874 . 0 0 "[ . 1 . 2]" 1
128 3 25 GLY HA2 3 28 LYS H . . 5.000 3.600 3.210 3.796 . 0 0 "[ . 1 . 2]" 1
129 3 33 ASN HA 3 36 LYS H . . 5.000 3.656 3.425 3.860 . 0 0 "[ . 1 . 2]" 1
130 3 34 TRP HA 3 37 ILE H . . 5.000 3.370 2.901 3.574 . 0 0 "[ . 1 . 2]" 1
131 3 35 SER HA 3 38 LEU H . . 4.000 3.671 3.278 4.005 0.005 5 0 "[ . 1 . 2]" 1
132 3 36 LYS HA 3 39 LEU H . . 4.000 3.462 3.277 3.703 . 0 0 "[ . 1 . 2]" 1
133 3 37 ILE HA 3 40 HIS H . . 5.000 3.634 3.281 4.011 . 0 0 "[ . 1 . 2]" 1
134 3 38 LEU HA 3 41 TYR H . . 5.000 3.849 3.454 4.350 . 0 0 "[ . 1 . 2]" 1
135 3 48 SER HA 3 51 LEU H . . 5.000 3.684 3.310 3.858 . 0 0 "[ . 1 . 2]" 1
136 3 49 VAL HA 3 52 LYS H . . 5.000 3.779 3.478 3.996 . 0 0 "[ . 1 . 2]" 1
137 3 50 MET HA 3 53 ASP H . . 5.000 3.768 3.305 4.017 . 0 0 "[ . 1 . 2]" 1
138 3 51 LEU HA 3 54 ARG H . . 5.000 3.789 3.539 4.027 . 0 0 "[ . 1 . 2]" 1
139 3 52 LYS HA 3 55 TRP H . . 5.000 3.763 3.377 4.057 . 0 0 "[ . 1 . 2]" 1
140 3 53 ASP HA 3 56 ARG H . . 4.000 3.403 3.125 3.756 . 0 0 "[ . 1 . 2]" 1
141 3 54 ARG HA 3 57 THR H . . 5.000 3.655 3.391 3.962 . 0 0 "[ . 1 . 2]" 1
142 3 55 TRP HA 3 58 MET H . . 5.000 3.493 3.129 3.841 . 0 0 "[ . 1 . 2]" 1
143 3 56 ARG HA 3 59 LYS H . . 4.000 3.729 3.365 4.017 0.017 2 0 "[ . 1 . 2]" 1
144 3 57 THR HA 3 60 LYS H . . 5.000 3.742 3.381 4.044 . 0 0 "[ . 1 . 2]" 1
145 3 58 MET HA 3 61 LEU H . . 5.000 3.886 3.377 4.949 . 0 0 "[ . 1 . 2]" 1
146 3 59 LYS HA 3 62 LYS H . . 5.000 4.140 3.179 5.005 0.005 19 0 "[ . 1 . 2]" 1
147 3 16 TRP HA 3 20 LYS H . . 5.000 3.089 2.294 4.036 . 0 0 "[ . 1 . 2]" 1
148 3 17 GLU HA 3 21 ASN H . . 5.000 3.609 3.143 3.974 . 0 0 "[ . 1 . 2]" 1
149 3 18 GLU HA 3 22 LEU H . . 5.000 3.925 3.771 4.141 . 0 0 "[ . 1 . 2]" 1
150 3 19 ASP HA 3 23 ARG H . . 5.000 3.901 3.672 4.112 . 0 0 "[ . 1 . 2]" 1
151 3 20 LYS HA 3 24 SER H . . 5.000 4.176 3.904 4.435 . 0 0 "[ . 1 . 2]" 1
152 3 21 ASN HA 3 25 GLY H . . 5.000 4.056 3.765 4.304 . 0 0 "[ . 1 . 2]" 1
153 3 22 LEU HA 3 26 VAL H . . 5.000 4.019 3.876 4.209 . 0 0 "[ . 1 . 2]" 1
154 3 23 ARG HA 3 27 ARG H . . 5.000 4.051 3.789 4.417 . 0 0 "[ . 1 . 2]" 1
155 3 24 SER HA 3 28 LYS H . . 5.000 4.136 3.908 4.349 . 0 0 "[ . 1 . 2]" 1
156 3 34 TRP HA 3 38 LEU H . . 5.000 3.770 3.499 4.102 . 0 0 "[ . 1 . 2]" 1
157 3 35 SER HA 3 39 LEU H . . 5.000 4.227 4.092 4.363 . 0 0 "[ . 1 . 2]" 1
158 3 36 LYS HA 3 40 HIS H . . 5.000 4.018 3.714 4.395 . 0 0 "[ . 1 . 2]" 1
159 3 37 ILE HA 3 41 TYR H . . 5.000 3.632 2.940 4.042 . 0 0 "[ . 1 . 2]" 1
160 3 46 ARG HA 3 50 MET H . . 6.000 4.876 4.570 5.284 . 0 0 "[ . 1 . 2]" 1
161 3 48 SER HA 3 52 LYS H . . 5.000 3.908 3.676 4.229 . 0 0 "[ . 1 . 2]" 1
162 3 49 VAL HA 3 53 ASP H . . 5.000 3.880 3.723 4.131 . 0 0 "[ . 1 . 2]" 1
163 3 50 MET HA 3 54 ARG H . . 5.000 3.886 3.736 4.070 . 0 0 "[ . 1 . 2]" 1
164 3 51 LEU HA 3 55 TRP H . . 5.000 4.022 3.780 4.195 . 0 0 "[ . 1 . 2]" 1
165 3 53 ASP HA 3 57 THR H . . 5.000 3.905 3.683 4.146 . 0 0 "[ . 1 . 2]" 1
166 3 54 ARG HA 3 58 MET H . . 5.000 4.048 3.774 4.252 . 0 0 "[ . 1 . 2]" 1
167 3 55 TRP HA 3 59 LYS H . . 5.000 3.759 3.334 4.101 . 0 0 "[ . 1 . 2]" 1
168 3 56 ARG HA 3 60 LYS H . . 5.000 4.028 3.529 4.715 . 0 0 "[ . 1 . 2]" 1
169 3 9 ARG QB 3 10 LYS H . . 6.000 3.427 2.064 4.079 . 0 0 "[ . 1 . 2]" 1
170 3 10 LYS QB 3 11 ARG H . . 6.000 3.316 2.096 4.153 . 0 0 "[ . 1 . 2]" 1
171 3 11 ARG QB 3 12 GLN H . . 6.000 3.377 2.136 4.039 . 0 0 "[ . 1 . 2]" 1
172 3 12 GLN QB 3 13 ALA H . . 6.000 3.847 3.084 4.085 . 0 0 "[ . 1 . 2]" 1
173 3 13 ALA MB 3 14 TRP H . . 5.500 2.899 2.366 3.241 . 0 0 "[ . 1 . 2]" 1
174 3 14 TRP HB3 3 15 LEU H . . 5.000 2.828 2.473 2.994 . 0 0 "[ . 1 . 2]" 1
175 3 14 TRP HB2 3 15 LEU H . . 4.000 3.989 3.731 4.072 0.072 18 0 "[ . 1 . 2]" 1
176 3 15 LEU QB 3 16 TRP H . . 6.000 2.601 2.115 3.536 . 0 0 "[ . 1 . 2]" 1
177 3 16 TRP QB 3 17 GLU H . . 6.000 3.247 1.896 3.926 . 0 0 "[ . 1 . 2]" 1
178 3 17 GLU QB 3 18 GLU H . . 5.000 2.723 2.251 3.450 . 0 0 "[ . 1 . 2]" 1
179 3 18 GLU HB3 3 19 ASP H . . 5.000 3.557 3.303 3.800 . 0 0 "[ . 1 . 2]" 1
180 3 18 GLU HB2 3 19 ASP H . . 5.000 2.466 2.213 2.667 . 0 0 "[ . 1 . 2]" 1
181 3 19 ASP HB3 3 20 LYS H . . 5.000 3.252 1.914 3.849 . 0 0 "[ . 1 . 2]" 1
182 3 19 ASP HB2 3 20 LYS H . . 3.000 2.626 2.229 3.254 0.254 18 0 "[ . 1 . 2]" 1
183 3 20 LYS QB 3 21 ASN H . . 5.000 2.466 2.102 2.751 . 0 0 "[ . 1 . 2]" 1
184 3 21 ASN QB 3 22 LEU H . . 6.000 2.600 2.355 3.738 . 0 0 "[ . 1 . 2]" 1
185 3 22 LEU HB3 3 23 ARG H . . 3.000 2.458 2.202 2.693 . 0 0 "[ . 1 . 2]" 1
186 3 22 LEU HB2 3 23 ARG H . . 5.000 3.834 3.629 3.993 . 0 0 "[ . 1 . 2]" 1
187 3 23 ARG QB 3 24 SER H . . 5.000 2.559 2.346 3.556 . 0 0 "[ . 1 . 2]" 1
188 3 24 SER QB 3 25 GLY H . . 6.000 2.599 2.371 3.457 . 0 0 "[ . 1 . 2]" 1
189 3 26 VAL HB 3 27 ARG H . . 3.000 2.767 2.652 3.003 0.003 11 0 "[ . 1 . 2]" 1
190 3 27 ARG QB 3 28 LYS H . . 4.000 2.789 2.317 3.616 . 0 0 "[ . 1 . 2]" 1
191 3 28 LYS QB 3 29 TYR H . . 4.000 2.634 2.241 3.196 . 0 0 "[ . 1 . 2]" 1
192 3 29 TYR QB 3 30 GLY H . . 6.000 3.241 2.744 3.703 . 0 0 "[ . 1 . 2]" 1
193 3 31 GLU QB 3 32 GLY H . . 6.000 3.023 2.035 3.676 . 0 0 "[ . 1 . 2]" 1
194 3 33 ASN QB 3 34 TRP H . . 6.000 3.907 3.800 4.055 . 0 0 "[ . 1 . 2]" 1
195 3 34 TRP HB3 3 35 SER H . . 5.000 4.050 3.655 4.345 . 0 0 "[ . 1 . 2]" 1
196 3 34 TRP HB2 3 35 SER H . . 5.000 2.907 2.507 3.358 . 0 0 "[ . 1 . 2]" 1
197 3 35 SER QB 3 36 LYS H . . 6.000 2.784 2.224 3.363 . 0 0 "[ . 1 . 2]" 1
198 3 36 LYS QB 3 37 ILE H . . 6.000 2.380 2.113 2.592 . 0 0 "[ . 1 . 2]" 1
199 3 37 ILE HB 3 38 LEU H . . 4.000 2.711 2.459 3.047 . 0 0 "[ . 1 . 2]" 1
200 3 38 LEU QB 3 39 LEU H . . 5.000 2.825 2.480 3.760 . 0 0 "[ . 1 . 2]" 1
201 3 39 LEU QB 3 40 HIS H . . 5.000 2.532 2.347 2.820 . 0 0 "[ . 1 . 2]" 1
202 3 40 HIS QB 3 41 TYR H . . 5.000 2.392 2.143 2.865 . 0 0 "[ . 1 . 2]" 1
203 3 41 TYR QB 3 42 LYS H . . 5.000 3.221 1.851 3.955 . 0 0 "[ . 1 . 2]" 1
204 3 42 LYS QB 3 43 PHE H . . 5.000 2.947 2.279 3.837 . 0 0 "[ . 1 . 2]" 1
205 3 43 PHE HB3 3 44 ASN H . . 5.000 2.225 2.076 2.371 . 0 0 "[ . 1 . 2]" 1
206 3 43 PHE HB2 3 44 ASN H . . 5.000 3.349 3.018 3.655 . 0 0 "[ . 1 . 2]" 1
207 3 44 ASN QB 3 45 ASN H . . 7.000 2.856 1.993 4.069 . 0 0 "[ . 1 . 2]" 1
208 3 45 ASN QB 3 46 ARG H . . 6.000 4.043 3.939 4.108 . 0 0 "[ . 1 . 2]" 1
209 3 46 ARG HB3 3 47 THR H . . 5.000 3.200 2.373 3.815 . 0 0 "[ . 1 . 2]" 1
210 3 46 ARG HB2 3 47 THR H . . 5.000 4.090 3.445 4.414 . 0 0 "[ . 1 . 2]" 1
211 3 47 THR HB 3 48 SER H . . 5.000 2.353 2.211 2.506 . 0 0 "[ . 1 . 2]" 1
212 3 48 SER QB 3 49 VAL H . . 6.000 2.762 2.454 3.637 . 0 0 "[ . 1 . 2]" 1
213 3 49 VAL HB 3 50 MET H . . 4.000 2.423 2.275 2.554 . 0 0 "[ . 1 . 2]" 1
214 3 50 MET QB 3 51 LEU H . . 5.000 2.472 2.243 2.715 . 0 0 "[ . 1 . 2]" 1
215 3 51 LEU HB3 3 52 LYS H . . 5.000 3.318 2.951 3.548 . 0 0 "[ . 1 . 2]" 1
216 3 51 LEU HB2 3 52 LYS H . . 4.000 2.492 2.304 2.707 . 0 0 "[ . 1 . 2]" 1
217 3 52 LYS QB 3 53 ASP H . . 6.000 2.488 2.133 3.637 . 0 0 "[ . 1 . 2]" 1
218 3 53 ASP QB 3 54 ARG H . . 6.000 2.732 2.343 3.749 . 0 0 "[ . 1 . 2]" 1
219 3 54 ARG HB3 3 55 TRP H . . 4.000 2.495 2.304 2.746 . 0 0 "[ . 1 . 2]" 1
220 3 54 ARG HB2 3 55 TRP H . . 5.000 3.779 3.370 3.974 . 0 0 "[ . 1 . 2]" 1
221 3 55 TRP QB 3 56 ARG H . . 6.000 2.701 2.460 2.875 . 0 0 "[ . 1 . 2]" 1
222 3 56 ARG QB 3 57 THR H . . 6.000 2.514 2.179 3.623 . 0 0 "[ . 1 . 2]" 1
223 3 57 THR HB 3 58 MET H . . 5.000 2.621 2.260 3.864 . 0 0 "[ . 1 . 2]" 1
224 3 58 MET QB 3 59 LYS H . . 6.000 2.425 2.217 2.764 . 0 0 "[ . 1 . 2]" 1
225 3 59 LYS QB 3 60 LYS H . . 5.000 3.024 2.172 4.037 . 0 0 "[ . 1 . 2]" 1
226 3 60 LYS QB 3 61 LEU H . . 5.000 2.752 2.267 3.913 . 0 0 "[ . 1 . 2]" 1
227 3 61 LEU QB 3 62 LYS H . . 5.000 2.532 1.875 4.066 . 0 0 "[ . 1 . 2]" 1
228 3 62 LYS QB 3 63 LEU H . . 6.000 3.177 2.508 4.050 . 0 0 "[ . 1 . 2]" 1
229 3 63 LEU QB 3 64 ILE H . . 6.000 3.744 2.059 4.069 . 0 0 "[ . 1 . 2]" 1
230 3 64 ILE HB 3 65 SER H . . 6.000 3.768 2.078 4.533 . 0 0 "[ . 1 . 2]" 1
231 3 9 ARG H 3 10 LYS H . . 6.000 3.650 2.026 4.607 . 0 0 "[ . 1 . 2]" 1
232 3 10 LYS H 3 11 ARG H . . 5.000 3.566 1.759 4.542 . 0 0 "[ . 1 . 2]" 1
233 3 11 ARG H 3 12 GLN H . . 5.000 4.323 3.045 4.684 . 0 0 "[ . 1 . 2]" 1
234 3 12 GLN H 3 13 ALA H . . 5.000 4.043 3.616 4.565 . 0 0 "[ . 1 . 2]" 1
235 3 13 ALA H 3 14 TRP H . . 5.000 4.652 4.593 4.717 . 0 0 "[ . 1 . 2]" 1
236 3 14 TRP H 3 15 LEU H . . 6.000 4.599 4.531 4.657 . 0 0 "[ . 1 . 2]" 1
237 3 15 LEU H 3 16 TRP H . . 6.000 4.521 4.361 4.664 . 0 0 "[ . 1 . 2]" 1
238 3 16 TRP H 3 17 GLU H . . 5.000 3.038 2.819 3.701 . 0 0 "[ . 1 . 2]" 1
239 3 17 GLU H 3 18 GLU H . . 4.000 2.891 2.578 3.216 . 0 0 "[ . 1 . 2]" 1
240 3 18 GLU H 3 19 ASP H . . 4.000 2.779 2.461 2.878 . 0 0 "[ . 1 . 2]" 1
241 3 19 ASP H 3 20 LYS H . . 4.000 2.809 2.556 3.008 . 0 0 "[ . 1 . 2]" 1
242 3 20 LYS H 3 21 ASN H . . 4.000 2.785 2.586 3.066 . 0 0 "[ . 1 . 2]" 1
243 3 21 ASN H 3 22 LEU H . . 4.000 2.751 2.664 2.871 . 0 0 "[ . 1 . 2]" 1
244 3 22 LEU H 3 23 ARG H . . 3.000 2.818 2.689 2.965 . 0 0 "[ . 1 . 2]" 1
245 3 23 ARG H 3 24 SER H . . 4.000 2.814 2.744 2.884 . 0 0 "[ . 1 . 2]" 1
246 3 24 SER H 3 25 GLY H . . 4.000 2.751 2.686 2.829 . 0 0 "[ . 1 . 2]" 1
247 3 25 GLY H 3 26 VAL H . . 4.000 2.887 2.729 2.990 . 0 0 "[ . 1 . 2]" 1
248 3 26 VAL H 3 27 ARG H . . 4.000 2.790 2.723 2.956 . 0 0 "[ . 1 . 2]" 1
249 3 27 ARG H 3 28 LYS H . . 4.000 2.721 2.589 2.924 . 0 0 "[ . 1 . 2]" 1
250 3 28 LYS H 3 29 TYR H . . 4.000 2.700 2.456 3.091 . 0 0 "[ . 1 . 2]" 1
251 3 29 TYR H 3 30 GLY H . . 3.000 2.288 1.940 2.574 . 0 0 "[ . 1 . 2]" 1
252 3 30 GLY H 3 31 GLU H . . 5.000 4.358 4.113 4.560 . 0 0 "[ . 1 . 2]" 1
253 3 32 GLY H 3 33 ASN H . . 5.000 2.605 2.294 3.661 . 0 0 "[ . 1 . 2]" 1
254 3 34 TRP H 3 35 SER H . . 5.000 2.764 2.670 2.911 . 0 0 "[ . 1 . 2]" 1
255 3 35 SER H 3 36 LYS H . . 5.000 2.744 2.587 2.920 . 0 0 "[ . 1 . 2]" 1
256 3 36 LYS H 3 37 ILE H . . 4.000 2.789 2.626 2.909 . 0 0 "[ . 1 . 2]" 1
257 3 37 ILE H 3 38 LEU H . . 4.000 2.887 2.750 3.053 . 0 0 "[ . 1 . 2]" 1
258 3 38 LEU H 3 39 LEU H . . 4.000 2.734 2.640 2.794 . 0 0 "[ . 1 . 2]" 1
259 3 39 LEU H 3 40 HIS H . . 3.000 2.705 2.524 2.827 . 0 0 "[ . 1 . 2]" 1
260 3 40 HIS H 3 41 TYR H . . 3.000 2.766 2.611 2.899 . 0 0 "[ . 1 . 2]" 1
261 3 42 LYS H 3 43 PHE H . . 5.000 4.463 4.016 4.649 . 0 0 "[ . 1 . 2]" 1
262 3 43 PHE H 3 44 ASN H . . 5.000 4.447 4.341 4.650 . 0 0 "[ . 1 . 2]" 1
263 3 44 ASN H 3 45 ASN H . . 6.000 3.309 2.836 3.936 . 0 0 "[ . 1 . 2]" 1
264 3 45 ASN H 3 46 ARG H . . 4.000 2.799 2.129 3.167 . 0 0 "[ . 1 . 2]" 1
265 3 46 ARG H 3 47 THR H . . 5.000 4.412 4.238 4.559 . 0 0 "[ . 1 . 2]" 1
266 3 47 THR H 3 48 SER H . . 5.000 4.533 4.352 4.650 . 0 0 "[ . 1 . 2]" 1
267 3 48 SER H 3 49 VAL H . . 5.000 2.695 2.653 2.751 . 0 0 "[ . 1 . 2]" 1
268 3 49 VAL H 3 50 MET H . . 4.000 2.811 2.711 2.933 . 0 0 "[ . 1 . 2]" 1
269 3 50 MET H 3 51 LEU H . . 4.000 2.878 2.757 3.055 . 0 0 "[ . 1 . 2]" 1
270 3 51 LEU H 3 52 LYS H . . 4.000 2.861 2.761 3.003 . 0 0 "[ . 1 . 2]" 1
271 3 52 LYS H 3 53 ASP H . . 4.000 2.896 2.684 3.089 . 0 0 "[ . 1 . 2]" 1
272 3 53 ASP H 3 54 ARG H . . 4.000 2.866 2.714 3.015 . 0 0 "[ . 1 . 2]" 1
273 3 54 ARG H 3 55 TRP H . . 4.000 2.856 2.701 3.035 . 0 0 "[ . 1 . 2]" 1
274 3 55 TRP H 3 56 ARG H . . 4.000 2.754 2.673 2.872 . 0 0 "[ . 1 . 2]" 1
275 3 56 ARG H 3 57 THR H . . 4.000 2.796 2.620 2.979 . 0 0 "[ . 1 . 2]" 1
276 3 57 THR H 3 58 MET H . . 4.000 2.805 2.723 2.937 . 0 0 "[ . 1 . 2]" 1
277 3 58 MET H 3 59 LYS H . . 4.000 2.904 2.593 3.075 . 0 0 "[ . 1 . 2]" 1
278 3 59 LYS H 3 60 LYS H . . 5.000 2.829 2.714 2.993 . 0 0 "[ . 1 . 2]" 1
279 3 60 LYS H 3 61 LEU H . . 5.000 2.834 2.571 3.264 . 0 0 "[ . 1 . 2]" 1
280 3 61 LEU H 3 62 LYS H . . 5.000 2.797 2.243 3.423 . 0 0 "[ . 1 . 2]" 1
281 3 62 LYS H 3 63 LEU H . . 4.000 2.549 2.134 3.001 . 0 0 "[ . 1 . 2]" 1
282 3 63 LEU H 3 64 ILE H . . 4.000 2.794 2.261 3.229 . 0 0 "[ . 1 . 2]" 1
283 3 64 ILE H 3 65 SER H . . 5.000 4.005 2.147 4.652 . 0 0 "[ . 1 . 2]" 1
284 3 16 TRP H 3 18 GLU H . . 5.000 4.662 4.221 5.035 0.035 5 0 "[ . 1 . 2]" 1
285 3 17 GLU H 3 19 ASP H . . 5.000 4.412 4.063 4.841 . 0 0 "[ . 1 . 2]" 1
286 3 18 GLU H 3 20 LYS H . . 5.000 4.292 3.718 4.549 . 0 0 "[ . 1 . 2]" 1
287 3 20 LYS H 3 22 LEU H . . 5.000 4.152 3.833 4.461 . 0 0 "[ . 1 . 2]" 1
288 3 22 LEU H 3 24 SER H . . 5.000 4.235 4.040 4.412 . 0 0 "[ . 1 . 2]" 1
289 3 23 ARG H 3 25 GLY H . . 5.000 4.188 3.957 4.409 . 0 0 "[ . 1 . 2]" 1
290 3 25 GLY H 3 27 ARG H . . 5.000 4.217 4.014 4.400 . 0 0 "[ . 1 . 2]" 1
291 3 26 VAL H 3 28 LYS H . . 5.000 4.218 3.980 4.486 . 0 0 "[ . 1 . 2]" 1
292 3 27 ARG H 3 29 TYR H . . 5.000 4.459 4.202 4.685 . 0 0 "[ . 1 . 2]" 1
293 3 28 LYS H 3 30 GLY H . . 5.000 3.975 3.732 4.283 . 0 0 "[ . 1 . 2]" 1
294 3 33 ASN H 3 35 SER H . . 5.000 4.893 4.638 5.029 0.029 11 0 "[ . 1 . 2]" 1
295 3 34 TRP H 3 36 LYS H . . 5.000 4.398 3.941 4.712 . 0 0 "[ . 1 . 2]" 1
296 3 36 LYS H 3 38 LEU H . . 5.000 4.244 3.866 4.515 . 0 0 "[ . 1 . 2]" 1
297 3 37 ILE H 3 39 LEU H . . 5.000 4.225 4.078 4.355 . 0 0 "[ . 1 . 2]" 1
298 3 38 LEU H 3 40 HIS H . . 5.000 4.398 4.166 4.641 . 0 0 "[ . 1 . 2]" 1
299 3 39 LEU H 3 41 TYR H . . 5.000 4.297 4.019 4.634 . 0 0 "[ . 1 . 2]" 1
300 3 44 ASN H 3 46 ARG H . . 6.000 4.379 3.855 4.898 . 0 0 "[ . 1 . 2]" 1
301 3 48 SER H 3 50 MET H . . 5.000 4.384 4.174 4.581 . 0 0 "[ . 1 . 2]" 1
302 3 49 VAL H 3 51 LEU H . . 5.000 4.302 4.002 4.575 . 0 0 "[ . 1 . 2]" 1
303 3 51 LEU H 3 53 ASP H . . 5.000 4.420 4.091 4.720 . 0 0 "[ . 1 . 2]" 1
304 3 52 LYS H 3 54 ARG H . . 5.000 4.376 4.166 4.538 . 0 0 "[ . 1 . 2]" 1
305 3 54 ARG H 3 56 ARG H . . 5.000 4.134 3.821 4.412 . 0 0 "[ . 1 . 2]" 1
306 3 56 ARG H 3 58 MET H . . 5.000 4.206 4.005 4.450 . 0 0 "[ . 1 . 2]" 1
307 3 58 MET H 3 60 LYS H . . 5.000 4.288 3.965 4.895 . 0 0 "[ . 1 . 2]" 1
308 3 59 LYS H 3 61 LEU H . . 5.000 4.452 4.017 5.016 0.016 16 0 "[ . 1 . 2]" 1
309 3 61 LEU H 3 63 LEU H . . 5.000 3.768 2.475 4.162 . 0 0 "[ . 1 . 2]" 1
310 3 62 LYS H 3 64 ILE H . . 5.000 4.820 4.328 5.048 0.048 12 0 "[ . 1 . 2]" 1
311 3 15 LEU H 3 18 GLU H . . 5.000 3.508 3.071 3.879 . 0 0 "[ . 1 . 2]" 1
312 3 16 TRP HA 3 19 ASP HB3 . . 5.000 3.961 2.628 4.788 . 0 0 "[ . 1 . 2]" 1
313 3 16 TRP HA 3 19 ASP HB2 . . 4.000 2.606 2.141 3.516 . 0 0 "[ . 1 . 2]" 1
314 3 17 GLU HA 3 20 LYS QB . . 6.000 2.783 1.815 3.603 . 0 0 "[ . 1 . 2]" 1
315 3 18 GLU HA 3 21 ASN QB . . 6.000 2.922 2.462 4.445 . 0 0 "[ . 1 . 2]" 1
316 3 19 ASP HA 3 22 LEU HB3 . . 4.000 2.589 2.216 2.906 . 0 0 "[ . 1 . 2]" 1
317 3 19 ASP HA 3 22 LEU HB2 . . 5.000 3.538 3.016 4.001 . 0 0 "[ . 1 . 2]" 1
318 3 20 LYS HA 3 23 ARG QB . . 6.000 2.928 2.565 4.066 . 0 0 "[ . 1 . 2]" 1
319 3 21 ASN HA 3 24 SER QB . . 6.000 2.702 2.249 3.189 . 0 0 "[ . 1 . 2]" 1
320 3 23 ARG HA 3 26 VAL HB . . 4.000 2.959 2.414 3.285 . 0 0 "[ . 1 . 2]" 1
321 3 24 SER HA 3 27 ARG QB . . 6.000 2.806 2.383 4.095 . 0 0 "[ . 1 . 2]" 1
322 3 34 TRP HA 3 37 ILE HB . . 5.000 2.336 2.154 2.649 . 0 0 "[ . 1 . 2]" 1
323 3 35 SER HA 3 38 LEU QB . . 6.000 2.968 2.356 4.496 . 0 0 "[ . 1 . 2]" 1
324 3 36 LYS HA 3 39 LEU QB . . 6.000 2.664 2.415 2.971 . 0 0 "[ . 1 . 2]" 1
325 3 37 ILE HA 3 40 HIS QB . . 5.000 2.926 2.476 3.374 . 0 0 "[ . 1 . 2]" 1
326 3 49 VAL HA 3 52 LYS QB . . 6.000 2.906 2.489 4.141 . 0 0 "[ . 1 . 2]" 1
327 3 50 MET HA 3 53 ASP QB . . 6.000 3.080 2.419 4.469 . 0 0 "[ . 1 . 2]" 1
328 3 51 LEU HA 3 54 ARG HB3 . . 4.000 3.099 2.716 3.459 . 0 0 "[ . 1 . 2]" 1
329 3 51 LEU HA 3 54 ARG HB2 . . 5.000 3.843 3.066 4.200 . 0 0 "[ . 1 . 2]" 1
330 3 52 LYS HA 3 55 TRP QB . . 6.000 2.986 2.456 3.350 . 0 0 "[ . 1 . 2]" 1
331 3 54 ARG HA 3 57 THR HB . . 4.000 3.097 2.611 4.039 0.039 12 0 "[ . 1 . 2]" 1
332 3 55 TRP HA 3 58 MET QB . . 6.000 2.500 2.251 3.329 . 0 0 "[ . 1 . 2]" 1
333 3 56 ARG HA 3 59 LYS QB . . 6.000 3.322 2.395 4.489 . 0 0 "[ . 1 . 2]" 1
334 3 57 THR HA 3 60 LYS QB . . 6.000 2.924 2.233 4.083 . 0 0 "[ . 1 . 2]" 1
335 3 58 MET HA 3 61 LEU QB . . 6.000 3.566 2.343 5.351 . 0 0 "[ . 1 . 2]" 1
336 3 9 ARG QG 3 10 LYS H . . 6.000 3.890 2.175 4.727 . 0 0 "[ . 1 . 2]" 1
337 3 9 ARG QD 3 10 LYS H . . 7.000 4.852 2.556 6.151 . 0 0 "[ . 1 . 2]" 1
338 3 10 LYS QG 3 11 ARG H . . 7.000 3.600 2.058 4.833 . 0 0 "[ . 1 . 2]" 1
339 3 11 ARG QG 3 12 GLN H . . 7.000 3.847 2.567 4.855 . 0 0 "[ . 1 . 2]" 1
340 3 12 GLN QE 3 44 ASN QB . . 7.000 3.381 2.051 4.819 . 0 0 "[ . 1 . 2]" 1
341 3 13 ALA HA 3 14 TRP HD1 . . 5.000 3.266 2.986 3.748 . 0 0 "[ . 1 . 2]" 1
342 3 13 ALA MB 3 14 TRP HD1 . . 6.500 4.511 3.951 4.950 . 0 0 "[ . 1 . 2]" 1
343 3 14 TRP HD1 3 54 ARG QD . . 6.000 4.191 3.188 5.351 . 0 0 "[ . 1 . 2]" 1
344 3 14 TRP HE1 3 50 MET QB . . 6.500 3.899 2.903 5.245 . 0 0 "[ . 1 . 2]" 1
345 3 14 TRP HE1 3 54 ARG QG . . 6.000 4.150 3.053 5.349 . 0 0 "[ . 1 . 2]" 1
346 3 14 TRP HE1 3 54 ARG QD . . 6.000 4.196 3.046 5.356 . 0 0 "[ . 1 . 2]" 1
347 3 14 TRP HZ2 3 22 LEU MD2 . . 6.500 4.570 4.145 5.232 . 0 0 "[ . 1 . 2]" 1
348 3 14 TRP HZ2 3 46 ARG HA . . 6.000 4.562 3.974 5.649 . 0 0 "[ . 1 . 2]" 1
349 3 14 TRP HZ2 3 46 ARG QD . . 6.000 2.993 2.252 4.412 . 0 0 "[ . 1 . 2]" 1
350 3 14 TRP HZ2 3 50 MET HA . . 5.000 4.081 3.720 4.592 . 0 0 "[ . 1 . 2]" 1
351 3 14 TRP HZ2 3 50 MET QB . . 5.000 2.446 2.104 4.018 . 0 0 "[ . 1 . 2]" 1
352 3 14 TRP HZ2 3 50 MET QG . . 6.000 3.759 2.086 4.464 . 0 0 "[ . 1 . 2]" 1
353 3 14 TRP HZ2 3 51 LEU HA . . 5.000 3.348 2.922 3.949 . 0 0 "[ . 1 . 2]" 1
354 3 14 TRP HZ2 3 51 LEU MD1 . . 6.500 4.979 2.907 5.439 . 0 0 "[ . 1 . 2]" 1
355 3 14 TRP HZ2 3 51 LEU MD2 . . 6.500 4.322 3.876 5.425 . 0 0 "[ . 1 . 2]" 1
356 3 14 TRP HH2 3 22 LEU MD1 . . 7.500 3.795 2.769 4.376 . 0 0 "[ . 1 . 2]" 1
357 3 14 TRP HH2 3 22 LEU MD2 . . 6.500 3.037 2.540 3.757 . 0 0 "[ . 1 . 2]" 1
358 3 14 TRP HH2 3 43 PHE QD . . 7.000 4.210 2.588 4.794 . 0 0 "[ . 1 . 2]" 1
359 3 14 TRP HH2 3 50 MET HA . . 6.000 5.813 5.489 6.032 0.032 8 0 "[ . 1 . 2]" 1
360 3 14 TRP HH2 3 50 MET QB . . 6.000 3.906 3.405 5.137 . 0 0 "[ . 1 . 2]" 1
361 3 14 TRP HH2 3 51 LEU HA . . 4.000 2.415 2.181 2.726 . 0 0 "[ . 1 . 2]" 1
362 3 14 TRP HH2 3 51 LEU HG . . 4.000 2.743 2.193 3.208 . 0 0 "[ . 1 . 2]" 1
363 3 14 TRP HH2 3 51 LEU MD1 . . 6.500 3.853 2.172 4.378 . 0 0 "[ . 1 . 2]" 1
364 3 14 TRP HH2 3 51 LEU MD2 . . 4.500 2.426 2.055 3.774 . 0 0 "[ . 1 . 2]" 1
365 3 14 TRP HZ3 3 18 GLU HB3 . . 5.000 2.833 2.495 3.216 . 0 0 "[ . 1 . 2]" 1
366 3 14 TRP HZ3 3 18 GLU HB2 . . 5.000 4.083 3.631 4.655 . 0 0 "[ . 1 . 2]" 1
367 3 14 TRP HZ3 3 19 ASP HA . . 5.000 3.841 3.350 4.731 . 0 0 "[ . 1 . 2]" 1
368 3 14 TRP HZ3 3 22 LEU H . . 6.000 4.466 3.923 5.023 . 0 0 "[ . 1 . 2]" 1
369 3 14 TRP HZ3 3 22 LEU HB3 . . 5.000 3.739 3.469 4.326 . 0 0 "[ . 1 . 2]" 1
370 3 14 TRP HZ3 3 22 LEU MD2 . . 6.500 2.485 2.276 2.699 . 0 0 "[ . 1 . 2]" 1
371 3 14 TRP HZ3 3 43 PHE QD . . 7.000 3.440 2.923 4.052 . 0 0 "[ . 1 . 2]" 1
372 3 14 TRP HZ3 3 43 PHE QE . . 6.000 2.974 2.237 4.160 . 0 0 "[ . 1 . 2]" 1
373 3 14 TRP HZ3 3 51 LEU HA . . 6.000 4.356 4.088 4.639 . 0 0 "[ . 1 . 2]" 1
374 3 14 TRP HZ3 3 51 LEU MD1 . . 7.500 5.252 4.040 5.914 . 0 0 "[ . 1 . 2]" 1
375 3 14 TRP HZ3 3 51 LEU MD2 . . 6.500 3.327 2.527 4.809 . 0 0 "[ . 1 . 2]" 1
376 3 14 TRP HE3 3 15 LEU H . . 5.000 4.201 3.610 4.531 . 0 0 "[ . 1 . 2]" 1
377 3 14 TRP HE3 3 18 GLU H . . 5.000 4.775 4.601 5.001 0.001 15 0 "[ . 1 . 2]" 1
378 3 14 TRP HE3 3 18 GLU HA . . 5.000 4.297 4.004 4.613 . 0 0 "[ . 1 . 2]" 1
379 3 14 TRP HE3 3 18 GLU HB3 . . 5.000 2.408 2.215 2.614 . 0 0 "[ . 1 . 2]" 1
380 3 14 TRP HE3 3 18 GLU HB2 . . 5.000 2.463 2.259 2.794 . 0 0 "[ . 1 . 2]" 1
381 3 14 TRP HE3 3 18 GLU QG . . 6.000 4.228 4.063 4.360 . 0 0 "[ . 1 . 2]" 1
382 3 14 TRP HE3 3 19 ASP H . . 5.000 3.237 2.856 3.793 . 0 0 "[ . 1 . 2]" 1
383 3 14 TRP HE3 3 19 ASP HA . . 5.000 3.256 2.838 3.776 . 0 0 "[ . 1 . 2]" 1
384 3 14 TRP HE3 3 22 LEU MD2 . . 7.500 3.804 3.372 4.115 . 0 0 "[ . 1 . 2]" 1
385 3 15 LEU H 3 18 GLU HB3 . . 5.000 4.199 3.877 4.564 . 0 0 "[ . 1 . 2]" 1
386 3 15 LEU H 3 18 GLU HB2 . . 5.000 2.620 2.344 2.878 . 0 0 "[ . 1 . 2]" 1
387 3 15 LEU H 3 18 GLU QG . . 6.000 3.261 2.705 3.961 . 0 0 "[ . 1 . 2]" 1
388 3 15 LEU QD 3 16 TRP H . . 8.900 3.302 2.059 3.945 . 0 0 "[ . 1 . 2]" 1
389 3 16 TRP HZ3 3 17 GLU QB . . 5.000 4.102 3.026 4.540 . 0 0 "[ . 1 . 2]" 1
390 3 16 TRP HZ3 3 17 GLU QG . . 5.000 3.914 2.719 4.485 . 0 0 "[ . 1 . 2]" 1
391 3 15 LEU QD 3 16 TRP HD1 . . 8.900 4.579 2.412 6.604 . 0 0 "[ . 1 . 2]" 1
392 3 16 TRP HD1 3 17 GLU H . . 5.000 4.380 2.050 5.090 0.090 20 0 "[ . 1 . 2]" 1
393 3 16 TRP HD1 3 20 LYS QB . . 6.000 5.430 5.364 5.532 . 0 0 "[ . 1 . 2]" 1
394 3 16 TRP HE3 3 17 GLU H . . 5.000 3.261 1.756 4.805 . 0 0 "[ . 1 . 2]" 1
395 3 16 TRP HE3 3 17 GLU QB . . 5.000 3.637 2.622 4.386 . 0 0 "[ . 1 . 2]" 1
396 3 16 TRP HE3 3 17 GLU QG . . 6.000 3.826 2.102 4.887 . 0 0 "[ . 1 . 2]" 1
397 3 16 TRP HE3 3 20 LYS QB . . 6.000 3.728 2.101 5.392 . 0 0 "[ . 1 . 2]" 1
398 3 15 LEU QD 3 17 GLU H . . 8.900 3.746 2.215 4.746 . 0 0 "[ . 1 . 2]" 1
399 3 15 LEU QD 3 18 GLU H . . 8.900 4.129 3.021 4.916 . 0 0 "[ . 1 . 2]" 1
400 3 17 GLU QG 3 18 GLU H . . 6.000 3.900 2.220 4.496 . 0 0 "[ . 1 . 2]" 1
401 3 18 GLU QG 3 19 ASP H . . 6.000 4.074 3.886 4.413 . 0 0 "[ . 1 . 2]" 1
402 3 20 LYS QG 3 21 ASN H . . 6.000 3.662 2.948 4.125 . 0 0 "[ . 1 . 2]" 1
403 3 18 GLU HA 3 21 ASN QD . . 6.000 3.722 2.888 4.700 . 0 0 "[ . 1 . 2]" 1
404 3 18 GLU QG 3 21 ASN QD . . 7.000 4.780 3.948 5.560 . 0 0 "[ . 1 . 2]" 1
405 3 21 ASN QD 3 41 TYR H . . 6.000 5.047 4.234 5.372 . 0 0 "[ . 1 . 2]" 1
406 3 21 ASN QD 3 41 TYR QB . . 7.000 2.113 1.824 2.557 . 0 0 "[ . 1 . 2]" 1
407 3 21 ASN QD 3 42 LYS H . . 6.000 3.777 2.350 4.513 . 0 0 "[ . 1 . 2]" 1
408 3 21 ASN QD 3 42 LYS QB . . 7.000 4.938 3.243 5.564 . 0 0 "[ . 1 . 2]" 1
409 3 22 LEU MD1 3 55 TRP HA . . 6.500 5.099 4.539 5.419 . 0 0 "[ . 1 . 2]" 1
410 3 19 ASP HA 3 22 LEU MD2 . . 6.500 3.197 2.791 3.524 . 0 0 "[ . 1 . 2]" 1
411 3 22 LEU MD2 3 54 ARG HB3 . . 6.500 2.777 2.330 3.233 . 0 0 "[ . 1 . 2]" 1
412 3 22 LEU MD2 3 54 ARG HB2 . . 6.500 4.025 3.655 4.588 . 0 0 "[ . 1 . 2]" 1
413 3 22 LEU MD2 3 54 ARG QG . . 7.500 2.867 2.228 4.027 . 0 0 "[ . 1 . 2]" 1
414 3 22 LEU MD2 3 55 TRP HA . . 6.500 3.328 2.832 3.820 . 0 0 "[ . 1 . 2]" 1
415 3 23 ARG HA 3 26 VAL MG2 . . 6.500 3.542 2.989 3.989 . 0 0 "[ . 1 . 2]" 1
416 3 23 ARG HA 3 26 VAL MG1 . . 6.500 4.359 3.816 4.641 . 0 0 "[ . 1 . 2]" 1
417 3 23 ARG QG 3 24 SER H . . 6.000 3.806 2.233 4.482 . 0 0 "[ . 1 . 2]" 1
418 3 25 GLY H 3 26 VAL MG1 . . 6.500 6.062 5.941 6.180 . 0 0 "[ . 1 . 2]" 1
419 3 25 GLY H 3 29 TYR QD . . 7.000 5.564 5.095 6.241 . 0 0 "[ . 1 . 2]" 1
420 3 25 GLY H 3 37 ILE MG . . 6.500 3.931 3.544 4.445 . 0 0 "[ . 1 . 2]" 1
421 3 25 GLY H 3 37 ILE QG . . 6.000 4.664 4.282 5.352 . 0 0 "[ . 1 . 2]" 1
422 3 25 GLY H 3 37 ILE MD . . 6.500 4.555 4.105 5.025 . 0 0 "[ . 1 . 2]" 1
423 3 25 GLY HA2 3 37 ILE MD . . 6.500 3.963 2.782 4.590 . 0 0 "[ . 1 . 2]" 1
424 3 25 GLY HA2 3 37 ILE MG . . 6.500 3.680 3.040 4.585 . 0 0 "[ . 1 . 2]" 1
425 3 25 GLY HA3 3 37 ILE MD . . 6.500 2.965 2.231 3.577 . 0 0 "[ . 1 . 2]" 1
426 3 25 GLY HA3 3 37 ILE MG . . 6.500 2.500 2.197 3.263 . 0 0 "[ . 1 . 2]" 1
427 3 22 LEU MD1 3 26 VAL H . . 6.500 3.680 3.244 4.490 . 0 0 "[ . 1 . 2]" 1
428 3 26 VAL H 3 37 ILE QG . . 6.000 4.048 3.637 4.547 . 0 0 "[ . 1 . 2]" 1
429 3 26 VAL H 3 37 ILE MD . . 5.000 3.103 2.713 3.498 . 0 0 "[ . 1 . 2]" 1
430 3 26 VAL HA 3 37 ILE MD . . 6.500 2.510 2.264 2.825 . 0 0 "[ . 1 . 2]" 1
431 3 26 VAL MG2 3 31 GLU QB . . 7.500 3.908 3.193 4.466 . 0 0 "[ . 1 . 2]" 1
432 3 26 VAL MG2 3 31 GLU QG . . 7.500 3.350 2.701 5.127 . 0 0 "[ . 1 . 2]" 1
433 3 22 LEU HA 3 26 VAL MG1 . . 6.500 6.510 6.251 6.686 0.186 17 0 "[ . 1 . 2]" 1
434 3 22 LEU MD1 3 26 VAL MG1 . . 6.500 4.807 4.365 5.331 . 0 0 "[ . 1 . 2]" 1
435 3 22 LEU MD2 3 26 VAL MG1 . . 8.000 5.608 5.292 5.912 . 0 0 "[ . 1 . 2]" 1
436 3 26 VAL MG1 3 31 GLU QB . . 7.500 2.776 2.250 4.094 . 0 0 "[ . 1 . 2]" 1
437 3 26 VAL MG1 3 31 GLU QG . . 7.500 2.953 2.068 3.867 . 0 0 "[ . 1 . 2]" 1
438 3 26 VAL MG2 3 27 ARG H . . 6.500 4.033 3.969 4.164 . 0 0 "[ . 1 . 2]" 1
439 3 26 VAL MG1 3 27 ARG H . . 6.500 3.429 3.193 3.644 . 0 0 "[ . 1 . 2]" 1
440 3 27 ARG QD 3 28 LYS H . . 6.000 4.919 3.956 5.353 . 0 0 "[ . 1 . 2]" 1
441 3 28 LYS QG 3 29 TYR H . . 7.000 4.191 3.790 4.743 . 0 0 "[ . 1 . 2]" 1
442 3 29 TYR H 3 30 GLY QA . . 6.000 4.245 3.944 4.459 . 0 0 "[ . 1 . 2]" 1
443 3 29 TYR H 3 37 ILE QG . . 6.000 4.313 3.722 5.352 . 0 0 "[ . 1 . 2]" 1
444 3 29 TYR H 3 37 ILE MD . . 6.500 4.161 3.334 4.702 . 0 0 "[ . 1 . 2]" 1
445 3 29 TYR QB 3 37 ILE QG . . 7.000 2.966 2.184 3.980 . 0 0 "[ . 1 . 2]" 1
446 3 25 GLY HA2 3 29 TYR QD . . 7.000 3.060 2.433 3.981 . 0 0 "[ . 1 . 2]" 1
447 3 25 GLY HA3 3 29 TYR QD . . 7.000 3.690 3.319 4.358 . 0 0 "[ . 1 . 2]" 1
448 3 28 LYS H 3 29 TYR QD . . 7.000 4.681 3.905 5.145 . 0 0 "[ . 1 . 2]" 1
449 3 28 LYS HA 3 29 TYR QD . . 7.000 4.831 4.327 4.994 . 0 0 "[ . 1 . 2]" 1
450 3 28 LYS QB 3 29 TYR QD . . 8.000 3.064 2.240 3.512 . 0 0 "[ . 1 . 2]" 1
451 3 28 LYS QG 3 29 TYR QD . . 8.000 4.327 2.994 5.136 . 0 0 "[ . 1 . 2]" 1
452 3 29 TYR QD 3 30 GLY H . . 7.000 4.568 4.084 4.889 . 0 0 "[ . 1 . 2]" 1
453 3 29 TYR QD 3 36 LYS QB . . 8.000 3.834 2.809 4.800 . 0 0 "[ . 1 . 2]" 1
454 3 29 TYR QD 3 36 LYS QG . . 8.000 4.910 3.608 5.891 . 0 0 "[ . 1 . 2]" 1
455 3 29 TYR QD 3 37 ILE HA . . 7.000 3.344 2.501 4.893 . 0 0 "[ . 1 . 2]" 1
456 3 29 TYR QD 3 41 TYR QE . . 8.000 4.076 3.021 4.745 . 0 0 "[ . 1 . 2]" 1
457 3 29 TYR QD 3 41 TYR QD . . 9.000 4.699 3.252 5.603 . 0 0 "[ . 1 . 2]" 1
458 3 25 GLY QA 3 29 TYR QE . . 8.000 3.070 2.606 4.058 . 0 0 "[ . 1 . 2]" 1
459 3 28 LYS HA 3 29 TYR QE . . 6.000 5.354 5.274 5.376 . 0 0 "[ . 1 . 2]" 1
460 3 28 LYS QB 3 29 TYR QE . . 8.000 3.094 2.793 3.666 . 0 0 "[ . 1 . 2]" 1
461 3 28 LYS QG 3 29 TYR QE . . 8.000 3.886 2.626 4.872 . 0 0 "[ . 1 . 2]" 1
462 3 29 TYR QE 3 36 LYS QG . . 9.000 5.714 3.747 6.853 . 0 0 "[ . 1 . 2]" 1
463 3 29 TYR QE 3 37 ILE HA . . 7.000 3.416 2.588 5.186 . 0 0 "[ . 1 . 2]" 1
464 3 29 TYR QE 3 40 HIS HA . . 8.000 5.553 4.920 6.355 . 0 0 "[ . 1 . 2]" 1
465 3 29 TYR QE 3 40 HIS QB . . 8.000 2.895 2.353 3.752 . 0 0 "[ . 1 . 2]" 1
466 3 29 TYR QE 3 41 TYR QD . . 9.000 3.573 2.429 4.984 . 0 0 "[ . 1 . 2]" 1
467 3 29 TYR QE 3 41 TYR QE . . 9.000 2.696 2.337 3.526 . 0 0 "[ . 1 . 2]" 1
468 3 26 VAL HA 3 30 GLY H . . 5.000 3.036 2.346 3.819 . 0 0 "[ . 1 . 2]" 1
469 3 26 VAL MG2 3 30 GLY H . . 6.500 4.814 4.188 5.511 . 0 0 "[ . 1 . 2]" 1
470 3 26 VAL MG2 3 31 GLU H . . 5.500 4.680 4.261 5.060 . 0 0 "[ . 1 . 2]" 1
471 3 26 VAL MG1 3 31 GLU H . . 7.500 3.051 2.625 3.460 . 0 0 "[ . 1 . 2]" 1
472 3 26 VAL MG2 3 31 GLU HA . . 6.500 2.871 2.157 3.199 . 0 0 "[ . 1 . 2]" 1
473 3 26 VAL MG1 3 31 GLU HA . . 6.500 2.714 2.204 3.504 . 0 0 "[ . 1 . 2]" 1
474 3 33 ASN H 3 37 ILE MD . . 6.500 3.398 2.919 4.318 . 0 0 "[ . 1 . 2]" 1
475 3 29 TYR QB 3 33 ASN QD . . 7.000 3.774 2.409 5.560 . 0 0 "[ . 1 . 2]" 1
476 3 30 GLY QA 3 33 ASN QD . . 6.000 3.476 2.254 4.780 . 0 0 "[ . 1 . 2]" 1
477 3 34 TRP HD1 3 48 SER QB . . 6.000 3.640 2.680 4.643 . 0 0 "[ . 1 . 2]" 1
478 3 32 GLY H 3 34 TRP HE1 . . 6.000 3.534 2.565 5.399 . 0 0 "[ . 1 . 2]" 1
479 3 32 GLY QA 3 34 TRP HE1 . . 5.000 2.599 2.322 2.814 . 0 0 "[ . 1 . 2]" 1
480 3 34 TRP HE1 3 52 LYS QB . . 5.000 3.090 2.241 4.479 . 0 0 "[ . 1 . 2]" 1
481 3 34 TRP HE1 3 52 LYS QG . . 7.000 3.032 2.061 4.262 . 0 0 "[ . 1 . 2]" 1
482 3 31 GLU HA 3 34 TRP HZ2 . . 5.000 4.198 2.955 5.006 0.006 1 0 "[ . 1 . 2]" 1
483 3 31 GLU QB 3 34 TRP HZ2 . . 7.000 3.928 2.160 5.210 . 0 0 "[ . 1 . 2]" 1
484 3 31 GLU QG 3 34 TRP HZ2 . . 6.000 2.950 2.105 5.031 . 0 0 "[ . 1 . 2]" 1
485 3 32 GLY H 3 34 TRP HZ2 . . 5.000 2.913 2.609 4.443 . 0 0 "[ . 1 . 2]" 1
486 3 32 GLY QA 3 34 TRP HZ2 . . 6.000 3.663 2.821 4.375 . 0 0 "[ . 1 . 2]" 1
487 3 34 TRP HZ2 3 52 LYS HA . . 5.000 3.265 2.924 3.775 . 0 0 "[ . 1 . 2]" 1
488 3 34 TRP HZ2 3 55 TRP QB . . 6.000 3.818 3.402 4.284 . 0 0 "[ . 1 . 2]" 1
489 3 22 LEU MD1 3 34 TRP HH2 . . 7.500 4.312 3.927 4.753 . 0 0 "[ . 1 . 2]" 1
490 3 26 VAL MG2 3 34 TRP HH2 . . 7.500 2.927 2.260 3.581 . 0 0 "[ . 1 . 2]" 1
491 3 26 VAL MG1 3 34 TRP HH2 . . 6.500 3.884 3.229 4.443 . 0 0 "[ . 1 . 2]" 1
492 3 31 GLU HA 3 34 TRP HH2 . . 5.000 3.745 3.140 4.278 . 0 0 "[ . 1 . 2]" 1
493 3 31 GLU QG 3 34 TRP HH2 . . 6.000 2.741 2.168 4.843 . 0 0 "[ . 1 . 2]" 1
494 3 32 GLY H 3 34 TRP HH2 . . 5.000 3.884 3.075 5.050 0.050 1 0 "[ . 1 . 2]" 1
495 3 34 TRP HH2 3 52 LYS HA . . 5.000 3.805 3.320 4.352 . 0 0 "[ . 1 . 2]" 1
496 3 34 TRP HH2 3 55 TRP H . . 5.000 4.981 4.837 5.036 0.036 1 0 "[ . 1 . 2]" 1
497 3 34 TRP HH2 3 55 TRP QB . . 5.000 2.578 2.437 2.710 . 0 0 "[ . 1 . 2]" 1
498 3 22 LEU MD1 3 34 TRP HZ3 . . 5.500 2.311 2.132 2.603 . 0 0 "[ . 1 . 2]" 1
499 3 22 LEU MD2 3 34 TRP HZ3 . . 6.500 3.615 3.303 4.207 . 0 0 "[ . 1 . 2]" 1
500 3 26 VAL MG2 3 34 TRP HZ3 . . 6.500 2.296 2.128 2.641 . 0 0 "[ . 1 . 2]" 1
501 3 26 VAL MG1 3 34 TRP HZ3 . . 5.500 4.275 3.946 4.603 . 0 0 "[ . 1 . 2]" 1
502 3 31 GLU HA 3 34 TRP HZ3 . . 5.000 4.435 3.651 5.005 0.005 18 0 "[ . 1 . 2]" 1
503 3 34 TRP HZ3 3 52 LYS HA . . 5.000 4.410 3.542 5.009 0.009 4 0 "[ . 1 . 2]" 1
504 3 34 TRP HZ3 3 55 TRP QB . . 6.000 2.983 2.513 3.371 . 0 0 "[ . 1 . 2]" 1
505 3 22 LEU MD1 3 34 TRP HE3 . . 6.500 2.773 2.494 3.311 . 0 0 "[ . 1 . 2]" 1
506 3 26 VAL MG1 3 34 TRP HE3 . . 6.500 5.886 5.464 6.355 . 0 0 "[ . 1 . 2]" 1
507 3 34 TRP HE3 3 37 ILE HB . . 5.000 3.622 3.066 4.348 . 0 0 "[ . 1 . 2]" 1
508 3 34 TRP HE3 3 37 ILE MG . . 6.500 3.543 3.069 4.408 . 0 0 "[ . 1 . 2]" 1
509 3 34 TRP HE3 3 51 LEU HB3 . . 5.000 2.439 2.265 2.812 . 0 0 "[ . 1 . 2]" 1
510 3 34 TRP HE3 3 51 LEU HB2 . . 5.000 3.615 3.230 4.203 . 0 0 "[ . 1 . 2]" 1
511 3 34 TRP HE3 3 51 LEU MD1 . . 6.500 3.747 2.992 4.905 . 0 0 "[ . 1 . 2]" 1
512 3 34 TRP HE3 3 51 LEU MD2 . . 6.500 3.245 2.248 3.890 . 0 0 "[ . 1 . 2]" 1
513 3 36 LYS H 3 37 ILE HB . . 5.000 4.762 4.534 5.004 0.004 9 0 "[ . 1 . 2]" 1
514 3 36 LYS H 3 37 ILE QG . . 6.000 4.563 4.303 4.896 . 0 0 "[ . 1 . 2]" 1
515 3 37 ILE MG 3 38 LEU H . . 6.500 3.240 3.051 3.542 . 0 0 "[ . 1 . 2]" 1
516 3 38 LEU H 3 51 LEU MD1 . . 6.500 3.723 3.230 5.324 . 0 0 "[ . 1 . 2]" 1
517 3 38 LEU H 3 51 LEU MD2 . . 6.500 4.390 2.832 5.147 . 0 0 "[ . 1 . 2]" 1
518 3 39 LEU QD 3 40 HIS H . . 8.900 3.797 2.978 4.152 . 0 0 "[ . 1 . 2]" 1
519 3 36 LYS HA 3 40 HIS HD2 . . 5.000 3.852 3.030 4.458 . 0 0 "[ . 1 . 2]" 1
520 3 36 LYS QB 3 40 HIS HD2 . . 6.000 2.972 2.304 4.229 . 0 0 "[ . 1 . 2]" 1
521 3 36 LYS QG 3 40 HIS HD2 . . 6.000 4.186 2.294 5.356 . 0 0 "[ . 1 . 2]" 1
522 3 37 ILE HA 3 40 HIS HD2 . . 5.000 3.139 2.367 5.036 0.036 3 0 "[ . 1 . 2]" 1
523 3 39 LEU H 3 40 HIS HD2 . . 5.000 4.971 4.157 5.021 0.021 19 0 "[ . 1 . 2]" 1
524 3 39 LEU QB 3 40 HIS HD2 . . 6.000 4.238 2.252 4.616 . 0 0 "[ . 1 . 2]" 1
525 3 39 LEU QD 3 40 HIS HD2 . . 8.900 4.979 3.612 5.890 . 0 0 "[ . 1 . 2]" 1
526 3 39 LEU QB 3 40 HIS HE1 . . 6.000 5.025 4.251 5.375 . 0 0 "[ . 1 . 2]" 1
527 3 39 LEU QD 3 40 HIS HE1 . . 8.900 4.798 3.060 6.445 . 0 0 "[ . 1 . 2]" 1
528 3 21 ASN HA 3 41 TYR QD . . 7.000 4.506 3.125 5.386 . 0 0 "[ . 1 . 2]" 1
529 3 21 ASN QB 3 41 TYR QD . . 8.000 4.110 2.611 5.061 . 0 0 "[ . 1 . 2]" 1
530 3 21 ASN QD 3 41 TYR QD . . 8.000 3.142 2.073 4.320 . 0 0 "[ . 1 . 2]" 1
531 3 24 SER QB 3 41 TYR QD . . 8.000 4.462 2.883 5.772 . 0 0 "[ . 1 . 2]" 1
532 3 25 GLY HA2 3 41 TYR QD . . 7.000 3.561 2.375 4.433 . 0 0 "[ . 1 . 2]" 1
533 3 25 GLY HA3 3 41 TYR QD . . 8.000 3.337 2.784 3.887 . 0 0 "[ . 1 . 2]" 1
534 3 37 ILE HA 3 41 TYR QD . . 5.000 3.344 2.498 4.369 . 0 0 "[ . 1 . 2]" 1
535 3 37 ILE QG 3 41 TYR QD . . 8.500 3.920 3.126 5.461 . 0 0 "[ . 1 . 2]" 1
536 3 37 ILE MG 3 41 TYR QD . . 7.500 2.597 2.111 3.382 . 0 0 "[ . 1 . 2]" 1
537 3 40 HIS QB 3 41 TYR QD . . 8.000 3.051 2.218 3.583 . 0 0 "[ . 1 . 2]" 1
538 3 24 SER HA 3 41 TYR QE . . 7.000 5.479 4.556 6.246 . 0 0 "[ . 1 . 2]" 1
539 3 24 SER QB 3 41 TYR QE . . 8.000 3.528 2.327 4.933 . 0 0 "[ . 1 . 2]" 1
540 3 25 GLY H 3 41 TYR QE . . 6.000 3.715 2.795 4.704 . 0 0 "[ . 1 . 2]" 1
541 3 25 GLY HA2 3 41 TYR QE . . 7.000 2.417 2.174 3.284 . 0 0 "[ . 1 . 2]" 1
542 3 25 GLY HA3 3 41 TYR QE . . 7.000 3.319 2.377 4.498 . 0 0 "[ . 1 . 2]" 1
543 3 28 LYS QB 3 41 TYR QE . . 8.000 3.730 2.816 4.436 . 0 0 "[ . 1 . 2]" 1
544 3 28 LYS QG 3 41 TYR QE . . 8.000 4.333 2.539 5.485 . 0 0 "[ . 1 . 2]" 1
545 3 28 LYS QE 3 41 TYR QE . . 8.000 4.427 3.052 6.354 . 0 0 "[ . 1 . 2]" 1
546 3 37 ILE HA 3 41 TYR QE . . 7.000 4.457 3.126 5.326 . 0 0 "[ . 1 . 2]" 1
547 3 37 ILE QG 3 41 TYR QE . . 8.000 4.277 2.956 6.356 . 0 0 "[ . 1 . 2]" 1
548 3 37 ILE MG 3 41 TYR QE . . 7.500 4.032 2.651 5.042 . 0 0 "[ . 1 . 2]" 1
549 3 40 HIS QB 3 41 TYR QE . . 8.000 3.463 2.861 4.214 . 0 0 "[ . 1 . 2]" 1
550 3 42 LYS QG 3 43 PHE H . . 6.000 3.707 2.310 4.423 . 0 0 "[ . 1 . 2]" 1
551 3 18 GLU QG 3 43 PHE HA . . 6.000 3.221 2.381 4.720 . 0 0 "[ . 1 . 2]" 1
552 3 18 GLU HA 3 43 PHE QD . . 6.000 2.586 2.090 3.399 . 0 0 "[ . 1 . 2]" 1
553 3 18 GLU QG 3 43 PHE QD . . 7.000 2.765 2.270 4.103 . 0 0 "[ . 1 . 2]" 1
554 3 22 LEU H 3 43 PHE QD . . 7.000 4.912 4.211 5.490 . 0 0 "[ . 1 . 2]" 1
555 3 38 LEU HA 3 43 PHE QD . . 6.000 2.944 2.475 4.337 . 0 0 "[ . 1 . 2]" 1
556 3 38 LEU QD 3 43 PHE QD . . 10.900 2.840 2.063 5.000 . 0 0 "[ . 1 . 2]" 1
557 3 43 PHE QD 3 44 ASN H . . 6.000 3.793 3.569 4.130 . 0 0 "[ . 1 . 2]" 1
558 3 43 PHE QD 3 46 ARG H . . 7.000 4.565 4.138 5.174 . 0 0 "[ . 1 . 2]" 1
559 3 43 PHE QD 3 46 ARG QB . . 8.000 3.304 2.374 3.865 . 0 0 "[ . 1 . 2]" 1
560 3 43 PHE QD 3 51 LEU MD1 . . 8.500 3.254 2.347 4.181 . 0 0 "[ . 1 . 2]" 1
561 3 43 PHE QD 3 51 LEU MD2 . . 8.500 3.160 2.759 3.812 . 0 0 "[ . 1 . 2]" 1
562 3 18 GLU HA 3 43 PHE QE . . 6.000 2.962 2.532 3.618 . 0 0 "[ . 1 . 2]" 1
563 3 21 ASN QB 3 43 PHE QE . . 7.000 2.903 1.987 4.944 . 0 0 "[ . 1 . 2]" 1
564 3 22 LEU HB3 3 43 PHE QE . . 6.000 3.828 3.481 4.428 . 0 0 "[ . 1 . 2]" 1
565 3 22 LEU HB2 3 43 PHE QE . . 6.000 2.427 2.147 2.862 . 0 0 "[ . 1 . 2]" 1
566 3 22 LEU MD1 3 43 PHE QE . . 7.500 3.263 2.339 3.620 . 0 0 "[ . 1 . 2]" 1
567 3 22 LEU MD2 3 43 PHE QE . . 8.500 3.926 3.345 4.439 . 0 0 "[ . 1 . 2]" 1
568 3 37 ILE MG 3 43 PHE QE . . 7.500 2.231 2.046 3.024 . 0 0 "[ . 1 . 2]" 1
569 3 38 LEU HA 3 43 PHE QE . . 6.000 2.660 2.267 4.301 . 0 0 "[ . 1 . 2]" 1
570 3 38 LEU QD 3 43 PHE QE . . 10.900 3.811 3.074 5.120 . 0 0 "[ . 1 . 2]" 1
571 3 41 TYR HA 3 43 PHE QE . . 7.000 5.361 4.419 6.239 . 0 0 "[ . 1 . 2]" 1
572 3 41 TYR QB 3 43 PHE QE . . 7.000 3.005 2.190 3.729 . 0 0 "[ . 1 . 2]" 1
573 3 41 TYR QD 3 43 PHE QE . . 9.000 4.326 3.667 5.508 . 0 0 "[ . 1 . 2]" 1
574 3 43 PHE QE 3 51 LEU MD1 . . 8.500 3.311 2.453 3.981 . 0 0 "[ . 1 . 2]" 1
575 3 43 PHE QE 3 51 LEU MD2 . . 7.500 2.619 2.232 3.059 . 0 0 "[ . 1 . 2]" 1
576 3 21 ASN QB 3 43 PHE HZ . . 6.000 3.864 2.748 4.996 . 0 0 "[ . 1 . 2]" 1
577 3 22 LEU H 3 43 PHE HZ . . 4.000 3.745 2.930 4.025 0.025 13 0 "[ . 1 . 2]" 1
578 3 22 LEU HA 3 43 PHE HZ . . 3.000 2.433 2.253 2.738 . 0 0 "[ . 1 . 2]" 1
579 3 22 LEU HB3 3 43 PHE HZ . . 5.000 4.520 3.958 4.943 . 0 0 "[ . 1 . 2]" 1
580 3 22 LEU HB2 3 43 PHE HZ . . 5.000 3.056 2.595 3.703 . 0 0 "[ . 1 . 2]" 1
581 3 22 LEU HG 3 43 PHE HZ . . 5.000 5.015 4.873 5.041 0.041 12 0 "[ . 1 . 2]" 1
582 3 22 LEU MD1 3 43 PHE HZ . . 5.000 2.758 2.436 3.360 . 0 0 "[ . 1 . 2]" 1
583 3 22 LEU MD2 3 43 PHE HZ . . 6.500 4.466 3.991 5.191 . 0 0 "[ . 1 . 2]" 1
584 3 37 ILE MG 3 43 PHE HZ . . 5.000 2.455 2.162 2.852 . 0 0 "[ . 1 . 2]" 1
585 3 41 TYR QB 3 43 PHE HZ . . 6.000 3.448 2.682 4.394 . 0 0 "[ . 1 . 2]" 1
586 3 43 PHE HZ 3 51 LEU MD1 . . 6.500 4.500 3.817 5.319 . 0 0 "[ . 1 . 2]" 1
587 3 43 PHE HZ 3 51 LEU MD2 . . 7.500 2.995 2.426 3.692 . 0 0 "[ . 1 . 2]" 1
588 3 18 GLU QG 3 44 ASN H . . 6.000 3.072 2.498 3.766 . 0 0 "[ . 1 . 2]" 1
589 3 44 ASN H 3 46 ARG QG . . 6.000 3.336 2.432 4.892 . 0 0 "[ . 1 . 2]" 1
590 3 12 GLN QB 3 44 ASN QD . . 7.000 4.072 2.274 5.563 . 0 0 "[ . 1 . 2]" 1
591 3 15 LEU QD 3 44 ASN QD . . 9.900 3.939 2.044 6.099 . 0 0 "[ . 1 . 2]" 1
592 3 38 LEU QD 3 46 ARG H . . 8.900 3.929 2.874 5.961 . 0 0 "[ . 1 . 2]" 1
593 3 43 PHE HB3 3 46 ARG H . . 5.000 3.736 3.018 4.405 . 0 0 "[ . 1 . 2]" 1
594 3 43 PHE HB2 3 46 ARG H . . 5.000 2.839 2.422 3.237 . 0 0 "[ . 1 . 2]" 1
595 3 46 ARG H 3 50 MET QB . . 6.000 5.080 4.768 5.363 . 0 0 "[ . 1 . 2]" 1
596 3 46 ARG H 3 50 MET QG . . 6.000 5.232 4.918 5.361 . 0 0 "[ . 1 . 2]" 1
597 3 46 ARG H 3 51 LEU MD2 . . 7.500 5.455 4.725 6.248 . 0 0 "[ . 1 . 2]" 1
598 3 46 ARG HA 3 51 LEU MD1 . . 6.500 4.701 3.821 5.369 . 0 0 "[ . 1 . 2]" 1
599 3 14 TRP HA 3 46 ARG HE . . 5.000 4.262 3.716 4.818 . 0 0 "[ . 1 . 2]" 1
600 3 14 TRP HH2 3 46 ARG HE . . 6.000 4.898 4.391 5.290 . 0 0 "[ . 1 . 2]" 1
601 3 14 TRP HZ2 3 46 ARG HE . . 5.000 4.570 4.110 4.997 . 0 0 "[ . 1 . 2]" 1
602 3 14 TRP HZ3 3 46 ARG HE . . 5.000 4.956 4.651 5.035 0.035 2 0 "[ . 1 . 2]" 1
603 3 43 PHE HB2 3 46 ARG HE . . 5.000 4.755 3.971 5.036 0.036 13 0 "[ . 1 . 2]" 1
604 3 43 PHE HB3 3 46 ARG HE . . 5.000 3.401 2.645 3.888 . 0 0 "[ . 1 . 2]" 1
605 3 44 ASN QB 3 46 ARG HE . . 6.000 2.991 2.393 4.115 . 0 0 "[ . 1 . 2]" 1
606 3 44 ASN H 3 46 ARG HE . . 5.000 3.299 2.805 4.334 . 0 0 "[ . 1 . 2]" 1
607 3 46 ARG QD 3 47 THR H . . 5.000 4.208 3.355 4.478 . 0 0 "[ . 1 . 2]" 1
608 3 47 THR H 3 50 MET QB . . 5.000 2.147 1.851 2.778 . 0 0 "[ . 1 . 2]" 1
609 3 47 THR H 3 50 MET QG . . 5.000 2.513 1.955 3.455 . 0 0 "[ . 1 . 2]" 1
610 3 38 LEU QD 3 47 THR HA . . 8.900 2.843 2.229 3.859 . 0 0 "[ . 1 . 2]" 1
611 3 47 THR HA 3 48 SER HA . . 5.000 4.409 4.353 4.445 . 0 0 "[ . 1 . 2]" 1
612 3 47 THR HA 3 48 SER QB . . 6.000 4.543 4.213 4.813 . 0 0 "[ . 1 . 2]" 1
613 3 38 LEU QD 3 48 SER H . . 8.900 3.415 2.588 4.638 . 0 0 "[ . 1 . 2]" 1
614 3 47 THR MG 3 48 SER H . . 5.500 3.808 3.694 3.952 . 0 0 "[ . 1 . 2]" 1
615 3 47 THR MG 3 49 VAL H . . 6.500 4.276 4.125 4.401 . 0 0 "[ . 1 . 2]" 1
616 3 47 THR MG 3 50 MET H . . 6.500 3.957 3.670 4.049 . 0 0 "[ . 1 . 2]" 1
617 3 49 VAL MG2 3 50 MET H . . 6.500 3.824 3.722 3.947 . 0 0 "[ . 1 . 2]" 1
618 3 49 VAL MG1 3 50 MET H . . 6.500 3.286 3.091 3.623 . 0 0 "[ . 1 . 2]" 1
619 3 47 THR MG 3 50 MET ME . . 8.000 3.539 2.337 5.553 . 0 0 "[ . 1 . 2]" 1
620 3 50 MET QG 3 51 LEU H . . 5.000 4.041 3.439 4.362 . 0 0 "[ . 1 . 2]" 1
621 3 22 LEU MD1 3 51 LEU MD1 . . 8.000 3.661 3.493 3.958 . 0 0 "[ . 1 . 2]" 1
622 3 22 LEU MD2 3 51 LEU MD1 . . 9.000 4.730 3.866 5.831 . 0 0 "[ . 1 . 2]" 1
623 3 37 ILE HB 3 51 LEU MD1 . . 6.500 3.849 3.122 5.393 . 0 0 "[ . 1 . 2]" 1
624 3 37 ILE MG 3 51 LEU MD1 . . 8.000 3.446 2.577 4.296 . 0 0 "[ . 1 . 2]" 1
625 3 38 LEU HA 3 51 LEU MD1 . . 6.500 3.662 3.078 4.752 . 0 0 "[ . 1 . 2]" 1
626 3 38 LEU QD 3 51 LEU MD1 . . 10.400 2.327 1.977 2.851 . 0 0 "[ . 1 . 2]" 1
627 3 22 LEU MD1 3 51 LEU MD2 . . 8.000 2.021 1.913 2.412 . 0 0 "[ . 1 . 2]" 1
628 3 22 LEU MD2 3 51 LEU MD2 . . 9.000 2.811 2.139 4.102 . 0 0 "[ . 1 . 2]" 1
629 3 34 TRP HB3 3 51 LEU MD2 . . 6.500 3.669 2.456 4.377 . 0 0 "[ . 1 . 2]" 1
630 3 34 TRP HB2 3 51 LEU MD2 . . 7.500 5.093 3.674 5.795 . 0 0 "[ . 1 . 2]" 1
631 3 37 ILE HB 3 51 LEU MD2 . . 6.500 3.731 2.487 4.218 . 0 0 "[ . 1 . 2]" 1
632 3 37 ILE MG 3 51 LEU MD2 . . 8.000 2.621 2.120 3.224 . 0 0 "[ . 1 . 2]" 1
633 3 38 LEU QD 3 51 LEU MD2 . . 10.400 3.656 2.474 4.445 . 0 0 "[ . 1 . 2]" 1
634 3 38 LEU HA 3 51 LEU MD2 . . 7.500 4.101 2.865 4.808 . 0 0 "[ . 1 . 2]" 1
635 3 51 LEU HG 3 52 LYS H . . 5.000 4.584 4.387 5.000 0.000 18 0 "[ . 1 . 2]" 1
636 3 51 LEU MD1 3 52 LYS H . . 6.500 4.277 3.987 4.485 . 0 0 "[ . 1 . 2]" 1
637 3 51 LEU MD2 3 52 LYS H . . 6.500 4.714 4.429 4.887 . 0 0 "[ . 1 . 2]" 1
638 3 52 LYS QG 3 53 ASP H . . 6.000 3.497 2.151 4.317 . 0 0 "[ . 1 . 2]" 1
639 3 52 LYS QE 3 53 ASP H . . 6.000 3.590 2.352 5.363 . 0 0 "[ . 1 . 2]" 1
640 3 14 TRP HA 3 54 ARG HE . . 6.000 5.490 5.156 6.014 0.014 18 0 "[ . 1 . 2]" 1
641 3 14 TRP HB3 3 54 ARG HE . . 5.000 3.381 2.710 4.112 . 0 0 "[ . 1 . 2]" 1
642 3 14 TRP HB2 3 54 ARG HE . . 5.000 3.050 2.396 3.464 . 0 0 "[ . 1 . 2]" 1
643 3 14 TRP HZ3 3 54 ARG HE . . 6.000 5.254 4.778 6.011 0.011 15 0 "[ . 1 . 2]" 1
644 3 14 TRP HE3 3 54 ARG HE . . 5.000 3.725 3.138 4.592 . 0 0 "[ . 1 . 2]" 1
645 3 22 LEU MD2 3 54 ARG HE . . 6.500 4.329 3.525 5.419 . 0 0 "[ . 1 . 2]" 1
646 3 22 LEU MD2 3 55 TRP H . . 6.500 3.084 2.714 3.567 . 0 0 "[ . 1 . 2]" 1
647 3 54 ARG QG 3 55 TRP H . . 6.000 3.737 3.190 4.398 . 0 0 "[ . 1 . 2]" 1
648 3 22 LEU MD1 3 55 TRP QB . . 7.500 3.272 2.712 3.639 . 0 0 "[ . 1 . 2]" 1
649 3 22 LEU MD2 3 55 TRP QB . . 6.500 2.400 2.201 2.883 . 0 0 "[ . 1 . 2]" 1
650 3 26 VAL MG2 3 55 TRP HD1 . . 6.500 4.198 3.558 5.058 . 0 0 "[ . 1 . 2]" 1
651 3 26 VAL MG1 3 55 TRP HD1 . . 6.500 4.394 3.884 5.193 . 0 0 "[ . 1 . 2]" 1
652 3 31 GLU HA 3 55 TRP HD1 . . 6.000 5.245 4.523 5.803 . 0 0 "[ . 1 . 2]" 1
653 3 31 GLU QB 3 55 TRP HD1 . . 6.000 4.334 2.905 4.933 . 0 0 "[ . 1 . 2]" 1
654 3 31 GLU QG 3 55 TRP HD1 . . 6.000 3.107 2.236 5.039 . 0 0 "[ . 1 . 2]" 1
655 3 34 TRP HZ2 3 55 TRP HD1 . . 5.000 3.512 2.611 4.236 . 0 0 "[ . 1 . 2]" 1
656 3 34 TRP HZ3 3 55 TRP HD1 . . 5.000 4.631 3.963 5.016 0.016 16 0 "[ . 1 . 2]" 1
657 3 34 TRP HH2 3 55 TRP HD1 . . 5.000 2.483 2.164 2.759 . 0 0 "[ . 1 . 2]" 1
658 3 55 TRP HD1 3 56 ARG HA . . 5.000 4.112 3.529 4.556 . 0 0 "[ . 1 . 2]" 1
659 3 55 TRP HD1 3 59 LYS QG . . 6.000 4.501 3.418 5.357 . 0 0 "[ . 1 . 2]" 1
660 3 55 TRP HD1 3 59 LYS QD . . 6.000 3.246 2.400 5.317 . 0 0 "[ . 1 . 2]" 1
661 3 26 VAL MG2 3 55 TRP HE1 . . 6.500 3.933 3.327 4.678 . 0 0 "[ . 1 . 2]" 1
662 3 26 VAL MG1 3 55 TRP HE1 . . 6.500 2.975 2.430 3.850 . 0 0 "[ . 1 . 2]" 1
663 3 31 GLU QB 3 55 TRP HE1 . . 6.000 3.598 2.669 4.681 . 0 0 "[ . 1 . 2]" 1
664 3 31 GLU QG 3 55 TRP HE1 . . 6.000 3.016 2.611 3.855 . 0 0 "[ . 1 . 2]" 1
665 3 34 TRP HZ2 3 55 TRP HE1 . . 6.000 5.297 4.231 6.002 0.002 19 0 "[ . 1 . 2]" 1
666 3 34 TRP HH2 3 55 TRP HE1 . . 5.000 3.895 3.602 4.133 . 0 0 "[ . 1 . 2]" 1
667 3 55 TRP HE1 3 59 LYS QG . . 6.000 4.256 3.363 5.007 . 0 0 "[ . 1 . 2]" 1
668 3 55 TRP HE1 3 59 LYS QD . . 6.000 2.710 2.119 5.149 . 0 0 "[ . 1 . 2]" 1
669 3 55 TRP HE1 3 59 LYS QE . . 6.000 3.545 2.135 4.215 . 0 0 "[ . 1 . 2]" 1
670 3 23 ARG HA 3 55 TRP HZ2 . . 6.000 5.129 4.580 6.021 0.021 7 0 "[ . 1 . 2]" 1
671 3 26 VAL HB 3 55 TRP HZ2 . . 5.000 4.020 3.348 4.889 . 0 0 "[ . 1 . 2]" 1
672 3 26 VAL MG2 3 55 TRP HZ2 . . 5.500 3.980 3.457 4.596 . 0 0 "[ . 1 . 2]" 1
673 3 26 VAL MG1 3 55 TRP HZ2 . . 6.500 2.614 2.343 2.959 . 0 0 "[ . 1 . 2]" 1
674 3 55 TRP HZ2 3 64 ILE HB . . 5.000 4.294 3.501 5.021 0.021 17 0 "[ . 1 . 2]" 1
675 3 55 TRP HZ2 3 64 ILE MG . . 6.500 3.246 2.155 5.298 . 0 0 "[ . 1 . 2]" 1
676 3 23 ARG HA 3 55 TRP HH2 . . 5.000 3.352 2.474 4.737 . 0 0 "[ . 1 . 2]" 1
677 3 23 ARG QB 3 55 TRP HH2 . . 6.000 4.073 2.621 5.283 . 0 0 "[ . 1 . 2]" 1
678 3 23 ARG QG 3 55 TRP HH2 . . 6.000 2.963 2.243 4.634 . 0 0 "[ . 1 . 2]" 1
679 3 23 ARG QD 3 55 TRP HH2 . . 7.000 4.371 2.397 6.226 . 0 0 "[ . 1 . 2]" 1
680 3 26 VAL HB 3 55 TRP HH2 . . 5.000 3.772 2.935 4.738 . 0 0 "[ . 1 . 2]" 1
681 3 26 VAL MG2 3 55 TRP HH2 . . 6.500 4.304 3.623 5.030 . 0 0 "[ . 1 . 2]" 1
682 3 26 VAL MG1 3 55 TRP HH2 . . 6.500 3.711 2.954 4.312 . 0 0 "[ . 1 . 2]" 1
683 3 55 TRP HH2 3 64 ILE HB . . 5.000 4.505 2.660 5.033 0.033 14 0 "[ . 1 . 2]" 1
684 3 55 TRP HH2 3 64 ILE MG . . 6.500 3.156 2.238 5.306 . 0 0 "[ . 1 . 2]" 1
685 3 22 LEU MD2 3 55 TRP HZ3 . . 6.500 4.239 3.563 5.416 . 0 0 "[ . 1 . 2]" 1
686 3 23 ARG HA 3 55 TRP HZ3 . . 5.000 2.699 2.227 3.493 . 0 0 "[ . 1 . 2]" 1
687 3 23 ARG QB 3 55 TRP HZ3 . . 5.000 2.995 2.116 3.938 . 0 0 "[ . 1 . 2]" 1
688 3 23 ARG QG 3 55 TRP HZ3 . . 5.000 2.920 2.180 4.218 . 0 0 "[ . 1 . 2]" 1
689 3 23 ARG QD 3 55 TRP HZ3 . . 7.000 4.057 3.205 4.991 . 0 0 "[ . 1 . 2]" 1
690 3 55 TRP HZ3 3 58 MET ME . . 6.500 3.830 2.408 5.393 . 0 0 "[ . 1 . 2]" 1
691 3 55 TRP HZ3 3 64 ILE MG . . 7.500 4.564 2.356 6.254 . 0 0 "[ . 1 . 2]" 1
692 3 22 LEU HG 3 55 TRP HE3 . . 5.000 2.982 2.525 3.889 . 0 0 "[ . 1 . 2]" 1
693 3 22 LEU MD1 3 55 TRP HE3 . . 6.500 4.144 3.453 5.095 . 0 0 "[ . 1 . 2]" 1
694 3 22 LEU MD2 3 55 TRP HE3 . . 6.500 2.740 2.151 3.653 . 0 0 "[ . 1 . 2]" 1
695 3 26 VAL MG1 3 55 TRP HE3 . . 6.500 4.920 4.448 5.267 . 0 0 "[ . 1 . 2]" 1
696 3 55 TRP HE3 3 58 MET ME . . 6.500 4.257 2.203 5.429 . 0 0 "[ . 1 . 2]" 1
697 3 53 ASP HA 3 56 ARG HE . . 4.000 2.664 1.925 4.020 0.020 19 0 "[ . 1 . 2]" 1
698 3 57 THR MG 3 58 MET H . . 6.500 3.299 2.145 3.599 . 0 0 "[ . 1 . 2]" 1
699 3 58 MET ME 3 63 LEU HA . . 6.500 5.337 4.696 5.442 . 0 0 "[ . 1 . 2]" 1
700 3 58 MET QG 3 59 LYS H . . 6.000 4.015 3.145 4.567 . 0 0 "[ . 1 . 2]" 1
701 3 59 LYS H 3 64 ILE MG . . 7.500 6.009 4.562 6.255 . 0 0 "[ . 1 . 2]" 1
702 3 59 LYS HA 3 63 LEU HA . . 5.000 3.809 2.116 5.057 0.057 11 0 "[ . 1 . 2]" 1
703 3 59 LYS HA 3 64 ILE MG . . 6.500 4.653 2.207 5.411 . 0 0 "[ . 1 . 2]" 1
704 3 59 LYS QG 3 60 LYS H . . 6.000 3.335 2.262 4.425 . 0 0 "[ . 1 . 2]" 1
705 3 59 LYS QE 3 60 LYS H . . 6.000 4.965 4.130 5.360 . 0 0 "[ . 1 . 2]" 1
706 3 60 LYS QG 3 61 LEU H . . 6.000 3.740 2.306 4.824 . 0 0 "[ . 1 . 2]" 1
707 3 61 LEU HG 3 62 LYS H . . 5.000 4.392 3.010 5.027 0.027 8 0 "[ . 1 . 2]" 1
708 3 61 LEU QD 3 62 LYS H . . 8.900 3.561 2.416 4.555 . 0 0 "[ . 1 . 2]" 1
709 3 62 LYS QG 3 63 LEU H . . 6.000 4.239 3.454 4.928 . 0 0 "[ . 1 . 2]" 1
710 3 58 MET HA 3 63 LEU H . . 6.000 5.175 3.871 6.003 0.003 20 0 "[ . 1 . 2]" 1
711 3 63 LEU H 3 64 ILE QG . . 6.000 4.215 3.445 5.402 . 0 0 "[ . 1 . 2]" 1
712 3 63 LEU H 3 64 ILE MD . . 6.500 4.961 3.477 5.916 . 0 0 "[ . 1 . 2]" 1
713 3 59 LYS HA 3 64 ILE H . . 6.000 2.697 2.190 3.726 . 0 0 "[ . 1 . 2]" 1
714 3 63 LEU HG 3 64 ILE H . . 5.000 4.515 3.061 5.014 0.014 19 0 "[ . 1 . 2]" 1
715 3 63 LEU QD 3 64 ILE H . . 8.900 3.907 3.299 4.580 . 0 0 "[ . 1 . 2]" 1
716 3 64 ILE QG 3 65 SER H . . 6.500 3.931 1.892 4.915 . 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 227
_Distance_constraint_stats_list.Viol_count 639
_Distance_constraint_stats_list.Viol_total 140.913
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0110
_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 1 DG 0.348 0.020 9 0 "[ . 1 . 2]"
1 2 DT 0.683 0.078 2 0 "[ . 1 . 2]"
1 3 DT 0.523 0.078 2 0 "[ . 1 . 2]"
1 4 DA 0.323 0.015 17 0 "[ . 1 . 2]"
1 5 DG 0.208 0.017 10 0 "[ . 1 . 2]"
1 6 DG 0.141 0.017 10 0 "[ . 1 . 2]"
1 7 DG 0.038 0.004 6 0 "[ . 1 . 2]"
1 8 DT 0.048 0.005 4 0 "[ . 1 . 2]"
1 9 DT 0.068 0.007 11 0 "[ . 1 . 2]"
1 10 DA 0.641 0.193 13 0 "[ . 1 . 2]"
1 11 DG 0.647 0.193 13 0 "[ . 1 . 2]"
1 12 DG 0.093 0.008 6 0 "[ . 1 . 2]"
1 13 DG 0.074 0.006 6 0 "[ . 1 . 2]"
2 1 DC 0.235 0.010 3 0 "[ . 1 . 2]"
2 2 DC 0.363 0.013 5 0 "[ . 1 . 2]"
2 3 DC 0.089 0.011 17 0 "[ . 1 . 2]"
2 4 DT 3.093 0.282 5 0 "[ . 1 . 2]"
2 5 DA 3.136 0.282 5 0 "[ . 1 . 2]"
2 6 DA 0.137 0.008 6 0 "[ . 1 . 2]"
2 7 DC 0.355 0.041 15 0 "[ . 1 . 2]"
2 8 DC 0.578 0.041 15 0 "[ . 1 . 2]"
2 9 DC 0.347 0.010 8 0 "[ . 1 . 2]"
2 10 DT 0.082 0.006 3 0 "[ . 1 . 2]"
2 11 DA 0.454 0.015 20 0 "[ . 1 . 2]"
2 12 DA 0.188 0.005 1 0 "[ . 1 . 2]"
2 13 DC 0.141 0.006 12 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 1 DG H1' 1 1 DG H8 . 2.300 4.000 3.889 3.881 3.932 . 0 0 "[ . 1 . 2]" 2
2 1 1 DG H3' 1 1 DG H8 . 2.500 5.000 3.897 3.514 4.172 . 0 0 "[ . 1 . 2]" 2
3 1 1 DG H4' 1 1 DG H8 . 2.500 5.000 4.830 4.514 4.883 . 0 0 "[ . 1 . 2]" 2
4 1 1 DG Q5' 1 1 DG H8 . 2.500 6.000 4.503 2.480 4.782 0.020 19 0 "[ . 1 . 2]" 2
5 1 2 DT H1' 1 2 DT H6 . 2.300 4.000 3.683 3.667 3.710 . 0 0 "[ . 1 . 2]" 2
6 1 2 DT H3' 1 2 DT H6 . 2.500 5.000 4.147 4.065 4.280 . 0 0 "[ . 1 . 2]" 2
7 1 2 DT H4' 1 2 DT H6 . 2.500 5.000 4.358 4.327 4.451 . 0 0 "[ . 1 . 2]" 2
8 1 3 DT H1' 1 3 DT H6 . 2.300 4.000 3.701 3.678 3.717 . 0 0 "[ . 1 . 2]" 2
9 1 3 DT H3' 1 3 DT H6 . 2.500 5.000 3.746 3.505 4.002 . 0 0 "[ . 1 . 2]" 2
10 1 3 DT H4' 1 3 DT H6 . 2.500 5.000 4.542 4.475 4.592 . 0 0 "[ . 1 . 2]" 2
11 1 3 DT H3' 1 3 DT M7 . 3.000 7.500 5.246 5.023 5.504 . 0 0 "[ . 1 . 2]" 2
12 1 4 DA H1' 1 4 DA H8 . 2.300 4.000 3.854 3.826 3.900 . 0 0 "[ . 1 . 2]" 2
13 1 4 DA H3' 1 4 DA H8 . 2.500 5.000 4.580 4.479 4.672 . 0 0 "[ . 1 . 2]" 2
14 1 4 DA H4' 1 4 DA H8 . 3.000 6.000 5.175 5.084 5.242 . 0 0 "[ . 1 . 2]" 2
15 1 5 DG H1' 1 5 DG H8 . 2.300 4.000 3.903 3.878 3.936 . 0 0 "[ . 1 . 2]" 2
16 1 5 DG H3' 1 5 DG H8 . 2.500 5.000 4.444 4.357 4.584 . 0 0 "[ . 1 . 2]" 2
17 1 6 DG H1' 1 6 DG H8 . 2.300 4.000 3.919 3.904 3.931 . 0 0 "[ . 1 . 2]" 2
18 1 6 DG H3' 1 6 DG H8 . 2.500 5.000 4.601 4.420 4.704 . 0 0 "[ . 1 . 2]" 2
19 1 6 DG H4' 1 6 DG H8 . 2.500 5.000 4.940 4.734 5.003 0.003 17 0 "[ . 1 . 2]" 2
20 1 7 DG H1' 1 7 DG H8 . 2.300 4.000 3.917 3.907 3.926 . 0 0 "[ . 1 . 2]" 2
21 1 7 DG H3' 1 7 DG H8 . 2.500 5.000 4.477 4.341 4.641 . 0 0 "[ . 1 . 2]" 2
22 1 7 DG H4' 1 7 DG H8 . 2.500 5.000 4.856 4.770 4.957 . 0 0 "[ . 1 . 2]" 2
23 1 8 DT H1' 1 8 DT H6 . 2.300 4.000 3.735 3.720 3.751 . 0 0 "[ . 1 . 2]" 2
24 1 8 DT H3' 1 8 DT H6 . 2.500 5.000 4.199 4.057 4.269 . 0 0 "[ . 1 . 2]" 2
25 1 9 DT H1' 1 9 DT H6 . 2.300 4.000 3.743 3.722 3.755 . 0 0 "[ . 1 . 2]" 2
26 1 9 DT H3' 1 9 DT H6 . 2.500 5.000 4.194 3.819 4.404 . 0 0 "[ . 1 . 2]" 2
27 1 9 DT H4' 1 9 DT H6 . 2.500 5.000 4.725 4.563 4.921 . 0 0 "[ . 1 . 2]" 2
28 1 10 DA H1' 1 10 DA H8 . 2.300 4.000 3.909 3.826 3.929 . 0 0 "[ . 1 . 2]" 2
29 1 10 DA Q2' 1 10 DA H8 . . 4.000 2.483 2.221 3.127 . 0 0 "[ . 1 . 2]" 2
30 1 10 DA H3' 1 10 DA H8 . 2.500 5.000 4.457 4.092 4.680 . 0 0 "[ . 1 . 2]" 2
31 1 10 DA H1' 1 10 DA H2 . 2.500 5.000 4.587 4.546 4.623 . 0 0 "[ . 1 . 2]" 2
32 1 11 DG H1' 1 11 DG H8 . 2.300 4.000 3.923 3.905 3.939 . 0 0 "[ . 1 . 2]" 2
33 1 11 DG H3' 1 11 DG H8 . 2.500 5.000 4.328 3.757 4.723 . 0 0 "[ . 1 . 2]" 2
34 1 11 DG H4' 1 11 DG H8 . 3.000 6.000 5.000 4.824 5.247 . 0 0 "[ . 1 . 2]" 2
35 1 12 DG H1' 1 12 DG H8 . 2.300 4.000 3.917 3.899 3.931 . 0 0 "[ . 1 . 2]" 2
36 1 12 DG H3' 1 12 DG H8 . 2.500 5.000 4.405 4.109 4.620 . 0 0 "[ . 1 . 2]" 2
37 1 13 DG H1' 1 13 DG H8 . 2.300 4.000 3.921 3.912 3.928 . 0 0 "[ . 1 . 2]" 2
38 1 13 DG H3' 1 13 DG H8 . 2.500 5.000 4.600 4.533 4.671 . 0 0 "[ . 1 . 2]" 2
39 1 13 DG H4' 1 13 DG H8 . 2.500 5.000 5.000 4.968 5.005 0.005 12 0 "[ . 1 . 2]" 2
40 2 1 DC H1' 2 1 DC H6 . 2.300 4.000 3.725 3.719 3.731 . 0 0 "[ . 1 . 2]" 2
41 2 1 DC H3' 2 1 DC H6 . 2.500 5.000 3.755 3.718 3.812 . 0 0 "[ . 1 . 2]" 2
42 2 1 DC H4' 2 1 DC H6 . 2.300 5.000 4.562 4.535 4.588 . 0 0 "[ . 1 . 2]" 2
43 2 1 DC Q5' 2 1 DC H6 . 2.300 6.000 4.347 4.245 4.406 . 0 0 "[ . 1 . 2]" 2
44 2 1 DC H3' 2 1 DC H5 . 3.000 6.000 6.005 6.003 6.007 0.007 2 0 "[ . 1 . 2]" 2
45 2 2 DC H1' 2 2 DC H6 . 2.300 4.000 3.704 3.696 3.713 . 0 0 "[ . 1 . 2]" 2
46 2 2 DC H3' 2 2 DC H6 . 2.500 5.000 3.743 3.710 3.786 . 0 0 "[ . 1 . 2]" 2
47 2 2 DC H4' 2 2 DC H6 . 3.000 6.000 4.396 4.358 4.433 . 0 0 "[ . 1 . 2]" 2
48 2 2 DC H3' 2 2 DC H5 . 3.000 6.000 6.009 6.006 6.013 0.013 5 0 "[ . 1 . 2]" 2
49 2 3 DC H1' 2 3 DC H6 . 2.300 4.000 3.697 3.674 3.725 . 0 0 "[ . 1 . 2]" 2
50 2 3 DC H3' 2 3 DC H6 . 2.500 5.000 3.049 2.489 3.699 0.011 17 0 "[ . 1 . 2]" 2
51 2 3 DC H4' 2 3 DC H6 . 2.500 5.000 4.377 4.286 4.515 . 0 0 "[ . 1 . 2]" 2
52 2 3 DC Q5' 2 3 DC H6 . 3.000 7.000 3.990 3.851 4.052 . 0 0 "[ . 1 . 2]" 2
53 2 3 DC H3' 2 3 DC H5 . 3.000 6.000 5.366 4.775 6.005 0.005 4 0 "[ . 1 . 2]" 2
54 2 4 DT Q2' 2 4 DT H6 . . 4.000 2.325 2.107 3.358 . 0 0 "[ . 1 . 2]" 2
55 2 5 DA H1' 2 5 DA H8 . 2.300 4.000 3.917 3.896 3.936 . 0 0 "[ . 1 . 2]" 2
56 2 5 DA H3' 2 5 DA H8 . 2.500 5.000 4.410 4.027 4.722 . 0 0 "[ . 1 . 2]" 2
57 2 5 DA H4' 2 5 DA H8 . 2.500 5.000 4.914 4.774 5.002 0.002 6 0 "[ . 1 . 2]" 2
58 2 6 DA H1' 2 6 DA H8 . 2.300 4.000 3.914 3.880 3.927 . 0 0 "[ . 1 . 2]" 2
59 2 6 DA H3' 2 6 DA H8 . 2.500 5.000 4.441 4.224 4.610 . 0 0 "[ . 1 . 2]" 2
60 2 6 DA H4' 2 6 DA H8 . 2.500 5.000 4.953 4.824 5.007 0.007 9 0 "[ . 1 . 2]" 2
61 2 7 DC H1' 2 7 DC H6 . 2.300 4.000 3.721 3.681 3.746 . 0 0 "[ . 1 . 2]" 2
62 2 7 DC H1' 2 7 DC H5 . 3.000 6.000 5.459 5.428 5.485 . 0 0 "[ . 1 . 2]" 2
63 2 8 DC H1' 2 8 DC H6 . 2.300 4.000 3.711 3.700 3.717 . 0 0 "[ . 1 . 2]" 2
64 2 8 DC H3' 2 8 DC H6 . 2.500 5.000 3.713 3.669 3.768 . 0 0 "[ . 1 . 2]" 2
65 2 8 DC H4' 2 8 DC H6 . 2.500 5.000 4.466 4.368 4.526 . 0 0 "[ . 1 . 2]" 2
66 2 8 DC H1' 2 8 DC H5 . 3.000 6.000 5.432 5.420 5.445 . 0 0 "[ . 1 . 2]" 2
67 2 8 DC H3' 2 8 DC H5 . 3.000 6.000 6.008 6.003 6.012 0.012 9 0 "[ . 1 . 2]" 2
68 2 9 DC H1' 2 9 DC H6 . 2.300 4.000 3.709 3.699 3.718 . 0 0 "[ . 1 . 2]" 2
69 2 9 DC H3' 2 9 DC H6 . 2.500 5.000 3.691 3.662 3.716 . 0 0 "[ . 1 . 2]" 2
70 2 9 DC H1' 2 9 DC H5 . 3.000 6.000 5.440 5.426 5.449 . 0 0 "[ . 1 . 2]" 2
71 2 9 DC H3' 2 9 DC H5 . 3.000 6.000 6.007 6.005 6.009 0.009 19 0 "[ . 1 . 2]" 2
72 2 10 DT H1' 2 10 DT H6 . 2.300 4.000 3.720 3.715 3.730 . 0 0 "[ . 1 . 2]" 2
73 2 10 DT H3' 2 10 DT H6 . 2.300 4.000 3.940 3.926 3.958 . 0 0 "[ . 1 . 2]" 2
74 2 10 DT H4' 2 10 DT H6 . 2.500 5.000 4.571 4.521 4.609 . 0 0 "[ . 1 . 2]" 2
75 2 10 DT H3' 2 10 DT M7 . 2.500 6.500 5.414 5.413 5.416 . 0 0 "[ . 1 . 2]" 2
76 2 11 DA H1' 2 11 DA H8 . 2.300 4.000 3.882 3.874 3.891 . 0 0 "[ . 1 . 2]" 2
77 2 11 DA H3' 2 11 DA H8 . 2.300 4.000 4.012 4.009 4.015 0.015 20 0 "[ . 1 . 2]" 2
78 2 11 DA H4' 2 11 DA H8 . 3.000 6.000 4.827 4.801 4.849 . 0 0 "[ . 1 . 2]" 2
79 2 11 DA Q5' 2 11 DA H8 . 3.000 7.000 4.568 4.500 4.619 . 0 0 "[ . 1 . 2]" 2
80 2 12 DA H1' 2 12 DA H8 . 2.300 4.000 3.915 3.909 3.919 . 0 0 "[ . 1 . 2]" 2
81 2 12 DA H3' 2 12 DA H8 . 2.500 5.000 4.546 4.494 4.585 . 0 0 "[ . 1 . 2]" 2
82 2 12 DA H4' 2 12 DA H8 . 2.500 5.000 4.952 4.928 4.974 . 0 0 "[ . 1 . 2]" 2
83 2 12 DA Q5' 2 12 DA H8 . 3.000 7.000 4.332 4.251 4.408 . 0 0 "[ . 1 . 2]" 2
84 2 13 DC H1' 2 13 DC H6 . 2.300 4.000 3.720 3.716 3.724 . 0 0 "[ . 1 . 2]" 2
85 2 13 DC H3' 2 13 DC H6 . 2.300 4.000 3.726 3.693 3.762 . 0 0 "[ . 1 . 2]" 2
86 2 13 DC H4' 2 13 DC H6 . 2.500 5.000 4.459 4.444 4.474 . 0 0 "[ . 1 . 2]" 2
87 2 13 DC H1' 2 13 DC H5 . 3.000 6.000 5.456 5.451 5.462 . 0 0 "[ . 1 . 2]" 2
88 2 13 DC H3' 2 13 DC H5 . 3.000 6.000 6.004 6.003 6.006 0.006 12 0 "[ . 1 . 2]" 2
89 1 1 DG H1' 1 2 DT H6 . 2.300 4.000 4.016 4.007 4.020 0.020 9 0 "[ . 1 . 2]" 2
90 1 1 DG H3' 1 2 DT H6 . 2.500 5.000 4.592 4.470 4.696 . 0 0 "[ . 1 . 2]" 2
91 1 1 DG H8 1 2 DT H6 . 3.000 6.000 4.043 3.847 4.275 . 0 0 "[ . 1 . 2]" 2
92 1 1 DG H1' 1 2 DT M7 . 2.500 6.500 4.698 4.586 4.849 . 0 0 "[ . 1 . 2]" 2
93 1 1 DG H3' 1 2 DT M7 . 2.500 6.500 4.278 4.024 4.569 . 0 0 "[ . 1 . 2]" 2
94 1 1 DG H8 1 2 DT M7 . 2.300 5.500 2.703 2.637 2.778 . 0 0 "[ . 1 . 2]" 2
95 1 2 DT H1' 1 3 DT H6 . 2.300 4.000 4.008 3.996 4.015 0.015 6 0 "[ . 1 . 2]" 2
96 1 2 DT H3' 1 3 DT H6 . 3.000 6.000 4.772 4.579 4.937 . 0 0 "[ . 1 . 2]" 2
97 1 2 DT H1' 1 3 DT M7 . 2.500 6.500 4.224 3.962 4.426 . 0 0 "[ . 1 . 2]" 2
98 1 2 DT H3' 1 3 DT M7 . 2.500 6.500 4.207 3.874 4.391 . 0 0 "[ . 1 . 2]" 2
99 1 2 DT M7 1 3 DT M7 . 2.500 8.000 2.713 2.422 3.324 0.078 2 0 "[ . 1 . 2]" 2
100 1 2 DT H6 1 3 DT M7 . 2.300 5.500 3.009 2.700 3.324 . 0 0 "[ . 1 . 2]" 2
101 1 3 DT H1' 1 4 DA H8 . 2.300 4.000 4.008 4.001 4.013 0.013 18 0 "[ . 1 . 2]" 2
102 1 3 DT H3' 1 4 DA H8 . 2.500 5.000 4.526 4.443 4.595 . 0 0 "[ . 1 . 2]" 2
103 1 3 DT H6 1 4 DA H8 . 3.000 6.000 3.964 3.717 4.129 . 0 0 "[ . 1 . 2]" 2
104 1 4 DA H1' 1 5 DG H8 . 2.300 4.000 3.029 2.542 3.739 . 0 0 "[ . 1 . 2]" 2
105 1 4 DA H3' 1 5 DG H8 . 2.500 5.000 4.641 4.450 5.002 0.002 7 0 "[ . 1 . 2]" 2
106 1 4 DA H8 1 5 DG H8 . 2.500 5.000 4.976 4.728 5.015 0.015 17 0 "[ . 1 . 2]" 2
107 1 4 DA H1' 1 5 DG Q5' . 2.500 6.000 3.295 2.938 3.495 . 0 0 "[ . 1 . 2]" 2
108 1 5 DG H1' 1 6 DG H8 . 2.300 4.000 3.726 2.503 4.011 0.011 17 0 "[ . 1 . 2]" 2
109 1 5 DG H3' 1 6 DG H8 . 2.500 5.000 4.760 4.546 5.003 0.003 19 0 "[ . 1 . 2]" 2
110 1 5 DG H8 1 6 DG H8 . 2.500 5.000 4.826 4.543 5.017 0.017 10 0 "[ . 1 . 2]" 2
111 1 6 DG H1' 1 7 DG H8 . 2.300 4.000 3.507 3.237 3.978 . 0 0 "[ . 1 . 2]" 2
112 1 6 DG H3' 1 7 DG H8 . 2.500 5.000 4.887 4.666 5.004 0.004 6 0 "[ . 1 . 2]" 2
113 1 6 DG H8 1 7 DG H8 . 3.000 6.000 5.053 4.173 5.529 . 0 0 "[ . 1 . 2]" 2
114 1 7 DG H1' 1 8 DT H6 . 2.300 4.000 3.562 3.379 3.799 . 0 0 "[ . 1 . 2]" 2
115 1 7 DG H3' 1 8 DT H6 . 2.500 5.000 4.973 4.907 5.004 0.004 4 0 "[ . 1 . 2]" 2
116 1 7 DG H1' 1 8 DT M7 . 2.500 6.500 3.913 3.689 4.292 . 0 0 "[ . 1 . 2]" 2
117 1 7 DG H3' 1 8 DT M7 . 2.500 6.500 4.307 4.112 4.427 . 0 0 "[ . 1 . 2]" 2
118 1 7 DG H8 1 8 DT M7 . 2.300 5.500 2.996 2.820 3.285 . 0 0 "[ . 1 . 2]" 2
119 1 7 DG H8 1 8 DT H6 . 3.000 6.000 5.072 4.524 5.784 . 0 0 "[ . 1 . 2]" 2
120 1 7 DG H1' 1 8 DT H4' . 2.500 5.000 4.322 3.753 5.002 0.002 1 0 "[ . 1 . 2]" 2
121 1 7 DG H1' 1 8 DT Q5' . 2.500 6.000 2.783 2.540 3.501 . 0 0 "[ . 1 . 2]" 2
122 1 8 DT H1' 1 9 DT H6 . 2.300 4.000 3.832 3.601 4.005 0.005 4 0 "[ . 1 . 2]" 2
123 1 8 DT H3' 1 9 DT H6 . 2.500 5.000 4.964 4.823 5.004 0.004 5 0 "[ . 1 . 2]" 2
124 1 8 DT H1' 1 9 DT M7 . 2.500 6.500 4.055 3.751 4.471 . 0 0 "[ . 1 . 2]" 2
125 1 8 DT H3' 1 9 DT M7 . 2.500 6.500 4.274 3.831 4.664 . 0 0 "[ . 1 . 2]" 2
126 1 8 DT M7 1 9 DT M7 . 2.300 7.000 3.038 2.363 3.694 . 0 0 "[ . 1 . 2]" 2
127 1 8 DT H6 1 9 DT M7 . 2.300 5.500 3.059 2.806 3.452 . 0 0 "[ . 1 . 2]" 2
128 1 8 DT H6 1 9 DT H6 . 3.000 6.000 5.080 4.422 5.706 . 0 0 "[ . 1 . 2]" 2
129 1 9 DT H1' 1 10 DA H8 . 2.300 4.000 3.462 2.762 4.007 0.007 11 0 "[ . 1 . 2]" 2
130 1 9 DT H6 1 10 DA H8 . 3.000 6.000 4.735 3.860 5.560 . 0 0 "[ . 1 . 2]" 2
131 1 10 DA Q2' 1 11 DG H8 . 2.300 4.000 2.382 2.188 2.556 0.112 12 0 "[ . 1 . 2]" 2
132 1 10 DA H1' 1 11 DG H8 . 2.500 5.000 4.070 3.400 4.452 . 0 0 "[ . 1 . 2]" 2
133 1 10 DA H3' 1 11 DG H8 . 2.500 5.000 4.906 4.329 5.006 0.006 1 0 "[ . 1 . 2]" 2
134 1 10 DA H8 1 11 DG H8 . 3.000 6.000 4.249 3.436 4.966 . 0 0 "[ . 1 . 2]" 2
135 1 10 DA H1' 1 11 DG Q5' . 2.500 6.000 3.083 2.307 4.577 0.193 13 0 "[ . 1 . 2]" 2
136 1 11 DG H1' 1 12 DG H8 . 2.300 4.000 3.833 2.980 4.008 0.008 6 0 "[ . 1 . 2]" 2
137 1 11 DG H3' 1 12 DG H8 . 2.500 5.000 4.864 4.496 5.004 0.004 8 0 "[ . 1 . 2]" 2
138 1 11 DG H8 1 12 DG H8 . 2.500 5.000 4.415 3.822 5.002 0.002 3 0 "[ . 1 . 2]" 2
139 1 11 DG H1' 1 12 DG Q5' . 2.500 6.000 3.250 2.923 3.661 . 0 0 "[ . 1 . 2]" 2
140 1 12 DG H1' 1 13 DG H8 . 2.300 4.000 3.920 3.718 4.006 0.006 6 0 "[ . 1 . 2]" 2
141 1 12 DG H3' 1 13 DG H8 . 2.500 5.000 4.916 4.690 5.004 0.004 16 0 "[ . 1 . 2]" 2
142 1 12 DG H8 1 13 DG H8 . 2.500 5.000 4.498 4.226 4.743 . 0 0 "[ . 1 . 2]" 2
143 1 12 DG H1' 1 13 DG Q5' . 2.500 6.000 2.922 2.537 3.228 . 0 0 "[ . 1 . 2]" 2
144 2 1 DC H1' 2 2 DC H6 . 2.300 4.000 4.006 4.002 4.010 0.010 3 0 "[ . 1 . 2]" 2
145 2 1 DC H3' 2 2 DC H6 . 2.500 5.000 4.640 4.525 4.738 . 0 0 "[ . 1 . 2]" 2
146 2 1 DC H1' 2 2 DC H5 . 2.500 5.000 4.483 4.368 4.608 . 0 0 "[ . 1 . 2]" 2
147 2 1 DC H3' 2 2 DC H5 . 2.500 5.000 4.847 4.656 5.001 0.001 6 0 "[ . 1 . 2]" 2
148 2 1 DC H5 2 2 DC H5 . 2.500 5.000 4.352 4.186 4.463 . 0 0 "[ . 1 . 2]" 2
149 2 1 DC H6 2 2 DC H5 . 2.300 4.000 3.971 3.798 4.003 0.003 9 0 "[ . 1 . 2]" 2
150 2 2 DC H1' 2 3 DC H6 . 2.300 4.000 3.904 3.598 4.009 0.009 8 0 "[ . 1 . 2]" 2
151 2 2 DC H1' 2 3 DC H5 . 2.500 5.000 4.572 4.453 4.687 . 0 0 "[ . 1 . 2]" 2
152 2 2 DC H3' 2 3 DC H5 . 3.000 6.000 4.960 4.791 5.166 . 0 0 "[ . 1 . 2]" 2
153 2 2 DC H6 2 3 DC H5 . 2.300 4.000 3.923 3.752 4.005 0.005 14 0 "[ . 1 . 2]" 2
154 2 2 DC H1' 2 3 DC Q5' . 2.500 6.000 3.458 2.888 3.973 . 0 0 "[ . 1 . 2]" 2
155 2 3 DC H1' 2 4 DT H6 . 2.500 5.000 4.540 3.946 5.001 0.001 16 0 "[ . 1 . 2]" 2
156 2 3 DC H1' 2 4 DT M7 . 2.500 6.500 4.575 4.206 4.889 . 0 0 "[ . 1 . 2]" 2
157 2 3 DC H3' 2 4 DT M7 . 2.500 6.500 3.624 3.080 4.429 . 0 0 "[ . 1 . 2]" 2
158 2 3 DC H5 2 4 DT M7 . 2.500 6.500 2.984 2.577 3.378 . 0 0 "[ . 1 . 2]" 2
159 2 3 DC H6 2 4 DT M7 . 2.300 5.500 2.794 2.485 3.032 . 0 0 "[ . 1 . 2]" 2
160 2 3 DC H6 2 4 DT H6 . 3.000 6.000 4.607 4.186 4.993 . 0 0 "[ . 1 . 2]" 2
161 2 3 DC H1' 2 4 DT Q5' . 2.500 6.000 3.769 2.863 4.187 . 0 0 "[ . 1 . 2]" 2
162 2 4 DT H1' 2 5 DA H8 . 3.000 6.000 4.313 3.941 5.647 . 0 0 "[ . 1 . 2]" 2
163 2 4 DT Q2' 2 5 DA H8 . 2.500 6.000 2.360 2.218 2.783 0.282 5 0 "[ . 1 . 2]" 2
164 2 4 DT H3' 2 5 DA H8 . 2.500 5.000 4.668 3.431 5.005 0.005 19 0 "[ . 1 . 2]" 2
165 2 4 DT H6 2 5 DA H8 . 2.500 5.000 4.262 3.803 4.928 . 0 0 "[ . 1 . 2]" 2
166 2 5 DA H1' 2 6 DA H8 . 2.300 4.000 3.872 3.106 4.008 0.008 19 0 "[ . 1 . 2]" 2
167 2 5 DA H3' 2 6 DA H8 . 2.500 5.000 4.785 4.511 5.000 . 10 0 "[ . 1 . 2]" 2
168 2 5 DA H2 2 6 DA H1' . 2.500 5.000 4.377 4.004 4.766 . 0 0 "[ . 1 . 2]" 2
169 2 5 DA H2 2 6 DA H2 . 2.300 4.000 3.705 3.501 4.000 . 20 0 "[ . 1 . 2]" 2
170 2 5 DA H1' 2 6 DA H4' . 3.000 6.000 4.702 4.250 5.436 . 0 0 "[ . 1 . 2]" 2
171 2 6 DA H1' 2 7 DC H6 . 2.300 4.000 3.373 2.797 3.809 . 0 0 "[ . 1 . 2]" 2
172 2 6 DA H3' 2 7 DC H6 . 2.500 5.000 4.981 4.659 5.008 0.008 6 0 "[ . 1 . 2]" 2
173 2 6 DA H8 2 7 DC H6 . 2.500 5.000 4.631 4.254 5.002 0.002 9 0 "[ . 1 . 2]" 2
174 2 6 DA H1' 2 7 DC H5 . 2.500 5.000 4.629 3.850 5.005 0.005 8 0 "[ . 1 . 2]" 2
175 2 6 DA H8 2 7 DC H5 . 2.500 5.000 3.675 3.362 4.043 . 0 0 "[ . 1 . 2]" 2
176 2 6 DA H1' 2 7 DC H1' . 3.000 6.000 4.415 4.099 5.035 . 0 0 "[ . 1 . 2]" 2
177 2 6 DA H1' 2 7 DC H4' . 2.500 5.000 4.075 3.532 4.664 . 0 0 "[ . 1 . 2]" 2
178 2 7 DC H1' 2 8 DC H6 . 2.300 4.000 3.956 3.350 4.013 0.013 18 0 "[ . 1 . 2]" 2
179 2 7 DC H3' 2 8 DC H6 . 2.500 5.000 4.560 4.274 4.806 . 0 0 "[ . 1 . 2]" 2
180 2 7 DC H1' 2 8 DC H5 . 2.500 5.000 4.772 4.015 4.898 . 0 0 "[ . 1 . 2]" 2
181 2 7 DC H3' 2 8 DC H5 . 2.500 5.000 5.006 5.001 5.016 0.016 1 0 "[ . 1 . 2]" 2
182 2 7 DC H5 2 8 DC H5 . 2.500 5.000 4.221 3.749 4.699 . 0 0 "[ . 1 . 2]" 2
183 2 7 DC H6 2 8 DC H5 . 2.300 4.000 3.764 3.242 4.007 0.007 10 0 "[ . 1 . 2]" 2
184 2 7 DC H1' 2 8 DC Q5' . 2.500 6.000 3.233 2.459 3.526 0.041 15 0 "[ . 1 . 2]" 2
185 2 8 DC H1' 2 9 DC H6 . 2.300 4.000 3.876 3.685 4.005 0.005 2 0 "[ . 1 . 2]" 2
186 2 8 DC H3' 2 9 DC H6 . 2.500 5.000 4.726 4.529 4.795 . 0 0 "[ . 1 . 2]" 2
187 2 8 DC H1' 2 9 DC H5 . 2.500 5.000 4.490 4.364 4.650 . 0 0 "[ . 1 . 2]" 2
188 2 8 DC H3' 2 9 DC H5 . 2.500 5.000 4.934 4.662 5.005 0.005 18 0 "[ . 1 . 2]" 2
189 2 8 DC H5 2 9 DC H5 . 2.500 5.000 4.644 4.449 4.857 . 0 0 "[ . 1 . 2]" 2
190 2 8 DC H6 2 9 DC H5 . 2.300 4.000 4.001 3.922 4.010 0.010 8 0 "[ . 1 . 2]" 2
191 2 9 DC H1' 2 10 DT H6 . 2.300 4.000 4.001 3.961 4.006 0.006 3 0 "[ . 1 . 2]" 2
192 2 9 DC H3' 2 10 DT H6 . 2.500 5.000 4.680 4.570 4.769 . 0 0 "[ . 1 . 2]" 2
193 2 9 DC H1' 2 10 DT M7 . 2.500 6.500 4.206 4.015 4.352 . 0 0 "[ . 1 . 2]" 2
194 2 9 DC H3' 2 10 DT M7 . 2.500 6.500 3.795 3.590 4.103 . 0 0 "[ . 1 . 2]" 2
195 2 9 DC H5 2 10 DT M7 . 2.500 6.500 3.628 3.184 4.415 . 0 0 "[ . 1 . 2]" 2
196 2 9 DC H6 2 10 DT M7 . 2.300 5.500 3.079 2.822 3.619 . 0 0 "[ . 1 . 2]" 2
197 2 10 DT H1' 2 11 DA H8 . 2.300 4.000 3.972 3.844 4.004 0.004 6 0 "[ . 1 . 2]" 2
198 2 10 DT H3' 2 11 DA H8 . 2.500 5.000 4.954 4.846 5.001 0.001 16 0 "[ . 1 . 2]" 2
199 2 10 DT H6 2 11 DA H8 . 2.500 5.000 4.122 4.025 4.271 . 0 0 "[ . 1 . 2]" 2
200 2 11 DA H1' 2 12 DA H8 . 2.300 4.000 4.004 4.002 4.005 0.005 15 0 "[ . 1 . 2]" 2
201 2 11 DA H3' 2 12 DA H8 . 2.500 5.000 4.737 4.643 4.856 . 0 0 "[ . 1 . 2]" 2
202 2 11 DA H8 2 12 DA H8 . 2.500 5.000 4.633 4.446 4.913 . 0 0 "[ . 1 . 2]" 2
203 2 11 DA H2 2 12 DA H1' . 2.300 4.000 4.003 4.000 4.005 0.005 1 0 "[ . 1 . 2]" 2
204 2 11 DA H2 2 12 DA H2 . 2.500 4.000 3.831 3.624 4.003 0.003 10 0 "[ . 1 . 2]" 2
205 2 12 DA H1' 2 13 DC H6 . 2.300 4.000 3.445 3.352 3.573 . 0 0 "[ . 1 . 2]" 2
206 2 12 DA H3' 2 13 DC H6 . 2.500 5.000 4.892 4.851 4.929 . 0 0 "[ . 1 . 2]" 2
207 2 12 DA H8 2 13 DC H6 . 2.500 5.000 5.003 5.001 5.005 0.005 9 0 "[ . 1 . 2]" 2
208 2 12 DA H1' 2 13 DC H5 . 2.500 5.000 4.396 4.323 4.446 . 0 0 "[ . 1 . 2]" 2
209 2 12 DA H8 2 13 DC H5 . 2.500 5.000 3.786 3.717 3.832 . 0 0 "[ . 1 . 2]" 2
210 2 12 DA H1' 2 13 DC H1' . 3.000 6.000 5.113 4.934 5.248 . 0 0 "[ . 1 . 2]" 2
211 2 12 DA H1' 2 13 DC H4' . 2.500 5.000 4.743 4.582 4.846 . 0 0 "[ . 1 . 2]" 2
212 1 5 DG H1 2 10 DT H3 . 2.300 4.000 3.233 3.124 3.454 . 0 0 "[ . 1 . 2]" 2
213 1 5 DG H1 1 6 DG H1 . 2.500 5.000 3.461 3.208 3.842 . 0 0 "[ . 1 . 2]" 2
214 1 6 DG H1 1 7 DG H1 . 2.500 5.000 3.532 3.293 4.031 . 0 0 "[ . 1 . 2]" 2
215 1 7 DG H1 1 8 DT H3 . 2.300 4.000 3.350 3.207 3.521 . 0 0 "[ . 1 . 2]" 2
216 1 8 DT H3 1 9 DT H3 . 2.500 5.000 3.090 2.860 3.332 . 0 0 "[ . 1 . 2]" 2
217 1 9 DT H3 2 4 DT H3 . 2.500 5.000 4.583 3.805 5.002 0.002 2 0 "[ . 1 . 2]" 2
218 1 3 DT H3 2 11 DA H2 . 2.300 3.000 2.848 2.589 3.001 0.001 2 0 "[ . 1 . 2]" 2
219 1 3 DT H3 2 12 DA H2 . 2.500 5.000 3.469 3.130 3.625 . 0 0 "[ . 1 . 2]" 2
220 1 8 DT H3 2 6 DA H2 . 2.300 3.000 2.687 2.345 2.848 . 0 0 "[ . 1 . 2]" 2
221 1 9 DT H3 2 5 DA H2 . 2.300 3.000 2.656 2.341 3.005 0.005 18 0 "[ . 1 . 2]" 2
222 1 9 DT H3 2 6 DA H2 . 2.500 5.000 3.396 2.962 4.168 . 0 0 "[ . 1 . 2]" 2
223 1 9 DT H3 1 10 DA H2 . 2.500 5.000 4.947 4.645 5.006 0.006 19 0 "[ . 1 . 2]" 2
224 1 10 DA H2 2 4 DT H3 . 2.300 3.000 2.814 2.578 3.003 0.003 3 0 "[ . 1 . 2]" 2
225 2 4 DT H3 2 5 DA H2 . 2.500 5.000 4.206 3.485 4.919 . 0 0 "[ . 1 . 2]" 2
226 1 10 DA H2 2 5 DA H2 . 2.300 3.500 3.250 2.900 3.504 0.004 2 0 "[ . 1 . 2]" 2
227 1 4 DA H2 2 11 DA H2 . 2.300 3.500 3.477 3.314 3.509 0.009 10 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 221
_Distance_constraint_stats_list.Viol_count 1783
_Distance_constraint_stats_list.Viol_total 3000.224
_Distance_constraint_stats_list.Viol_max 0.474
_Distance_constraint_stats_list.Viol_rms 0.0635
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0339
_Distance_constraint_stats_list.Viol_average_violations_only 0.0841
_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 1 DG 21.943 0.350 16 0 "[ . 1 . 2]"
1 2 DT 1.239 0.131 13 0 "[ . 1 . 2]"
1 3 DT 3.074 0.183 18 0 "[ . 1 . 2]"
1 4 DA 8.559 0.204 16 0 "[ . 1 . 2]"
1 5 DG 12.789 0.338 17 0 "[ . 1 . 2]"
1 6 DG 26.847 0.474 1 0 "[ . 1 . 2]"
1 7 DG 13.535 0.420 1 0 "[ . 1 . 2]"
1 8 DT 10.712 0.345 9 0 "[ . 1 . 2]"
1 9 DT 12.516 0.341 19 0 "[ . 1 . 2]"
1 10 DA 10.918 0.260 8 0 "[ . 1 . 2]"
1 11 DG 7.503 0.334 17 0 "[ . 1 . 2]"
1 12 DG 4.834 0.325 5 0 "[ . 1 . 2]"
1 13 DG 15.542 0.353 9 0 "[ . 1 . 2]"
2 1 DC 15.542 0.353 9 0 "[ . 1 . 2]"
2 2 DC 4.834 0.325 5 0 "[ . 1 . 2]"
2 3 DC 7.503 0.334 17 0 "[ . 1 . 2]"
2 4 DT 10.918 0.260 8 0 "[ . 1 . 2]"
2 5 DA 12.516 0.341 19 0 "[ . 1 . 2]"
2 6 DA 10.712 0.345 9 0 "[ . 1 . 2]"
2 7 DC 13.535 0.420 1 0 "[ . 1 . 2]"
2 8 DC 26.847 0.474 1 0 "[ . 1 . 2]"
2 9 DC 12.789 0.338 17 0 "[ . 1 . 2]"
2 10 DT 8.559 0.204 16 0 "[ . 1 . 2]"
2 11 DA 3.074 0.183 18 0 "[ . 1 . 2]"
2 12 DA 1.239 0.131 13 0 "[ . 1 . 2]"
2 13 DC 21.943 0.350 16 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 1 DG C6 2 13 DC C4 . 4.040 4.240 4.196 4.175 4.215 . 0 0 "[ . 1 . 2]" 3
2 1 1 DG C6 2 13 DC N3 . 3.600 3.800 3.507 3.453 3.564 0.147 16 0 "[ . 1 . 2]" 3
3 1 1 DG C6 2 13 DC C2 . 4.710 4.910 4.444 4.360 4.523 0.350 16 0 "[ . 1 . 2]" 3
4 1 1 DG N1 2 13 DC C4 . 3.670 3.870 3.933 3.904 3.962 0.092 16 0 "[ . 1 . 2]" 3
5 1 1 DG N1 2 13 DC C2 . 3.660 3.860 3.482 3.424 3.534 0.236 16 0 "[ . 1 . 2]" 3
6 1 1 DG C2 2 13 DC C4 . 4.800 5.000 5.105 5.061 5.144 0.144 16 0 "[ . 1 . 2]" 3
7 1 1 DG C2 2 13 DC N3 . 3.730 3.930 3.915 3.887 3.940 0.010 19 0 "[ . 1 . 2]" 3
8 1 1 DG C2 2 13 DC C2 . 4.200 4.400 4.149 4.127 4.163 0.073 16 0 "[ . 1 . 2]" 3
9 1 1 DG C5 2 13 DC C5 . 6.880 7.080 7.034 7.010 7.058 . 0 0 "[ . 1 . 2]" 3
10 1 1 DG C5 2 13 DC C6 . 7.620 7.820 7.616 7.574 7.653 0.046 16 0 "[ . 1 . 2]" 3
11 1 1 DG C5 2 13 DC N1 . 7.240 7.440 7.079 7.013 7.133 0.227 16 0 "[ . 1 . 2]" 3
12 1 1 DG C4 2 13 DC C5 . 7.620 7.820 7.800 7.774 7.817 . 0 0 "[ . 1 . 2]" 3
13 1 1 DG C4 2 13 DC C6 . 8.170 8.370 8.201 8.171 8.221 . 0 0 "[ . 1 . 2]" 3
14 1 1 DG C4 2 13 DC N1 . 7.570 7.770 7.469 7.420 7.503 0.150 16 0 "[ . 1 . 2]" 3
15 1 1 DG N3 2 13 DC C5 . 7.370 7.570 7.576 7.551 7.603 0.033 19 0 "[ . 1 . 2]" 3
16 1 1 DG N3 2 13 DC C6 . 7.710 7.910 7.767 7.735 7.782 . 0 0 "[ . 1 . 2]" 3
17 1 1 DG N3 2 13 DC N1 . 6.920 7.120 6.864 6.832 6.883 0.088 16 0 "[ . 1 . 2]" 3
18 1 2 DT C4 2 12 DA C6 . 4.090 4.290 4.157 4.125 4.185 . 0 0 "[ . 1 . 2]" 3
19 1 2 DT C4 2 12 DA N1 . 3.680 3.880 3.714 3.608 3.802 0.072 13 0 "[ . 1 . 2]" 3
20 1 2 DT C4 2 12 DA C2 . 4.800 5.000 4.817 4.669 4.940 0.131 13 0 "[ . 1 . 2]" 3
21 1 2 DT N3 2 12 DA C6 . 3.670 3.870 3.756 3.684 3.852 . 0 0 "[ . 1 . 2]" 3
22 1 2 DT N3 2 12 DA C2 . 3.740 3.940 3.795 3.738 3.844 0.002 2 0 "[ . 1 . 2]" 3
23 1 2 DT C2 2 12 DA C6 . 4.740 4.940 4.850 4.714 5.026 0.086 13 0 "[ . 1 . 2]" 3
24 1 2 DT C2 2 12 DA N1 . 3.680 3.880 3.784 3.673 3.929 0.049 10 0 "[ . 1 . 2]" 3
25 1 2 DT C2 2 12 DA C2 . 4.210 4.410 4.320 4.240 4.451 0.041 10 0 "[ . 1 . 2]" 3
26 1 2 DT C5 2 12 DA C5 . 6.950 7.150 6.989 6.956 7.023 . 0 0 "[ . 1 . 2]" 3
27 1 2 DT C5 2 12 DA C4 . 7.650 7.850 7.699 7.629 7.750 0.021 13 0 "[ . 1 . 2]" 3
28 1 2 DT C5 2 12 DA N3 . 7.360 7.560 7.395 7.292 7.473 0.068 13 0 "[ . 1 . 2]" 3
29 1 2 DT C6 2 12 DA C5 . 7.680 7.880 7.750 7.705 7.803 . 0 0 "[ . 1 . 2]" 3
30 1 2 DT C6 2 12 DA C4 . 8.190 8.390 8.287 8.252 8.340 . 0 0 "[ . 1 . 2]" 3
31 1 2 DT C6 2 12 DA N3 . 7.690 7.890 7.782 7.718 7.833 . 0 0 "[ . 1 . 2]" 3
32 1 2 DT N1 2 12 DA C5 . 7.280 7.480 7.395 7.284 7.522 0.042 10 0 "[ . 1 . 2]" 3
33 1 2 DT N1 2 12 DA C4 . 7.580 7.780 7.725 7.638 7.851 0.071 10 0 "[ . 1 . 2]" 3
34 1 2 DT N1 2 12 DA N3 . 6.890 7.090 7.035 6.956 7.159 0.069 10 0 "[ . 1 . 2]" 3
35 1 3 DT C4 2 11 DA C6 . 4.090 4.290 4.176 4.137 4.197 . 0 0 "[ . 1 . 2]" 3
36 1 3 DT C4 2 11 DA N1 . 3.680 3.880 3.703 3.592 3.780 0.088 17 0 "[ . 1 . 2]" 3
37 1 3 DT C4 2 11 DA C2 . 4.800 5.000 4.788 4.617 4.902 0.183 18 0 "[ . 1 . 2]" 3
38 1 3 DT N3 2 11 DA C6 . 3.670 3.870 3.731 3.645 3.836 0.025 2 0 "[ . 1 . 2]" 3
39 1 3 DT N3 2 11 DA C2 . 3.740 3.940 3.747 3.608 3.806 0.132 18 0 "[ . 1 . 2]" 3
40 1 3 DT C2 2 11 DA C6 . 4.740 4.940 4.811 4.665 4.979 0.075 2 0 "[ . 1 . 2]" 3
41 1 3 DT C2 2 11 DA N1 . 3.680 3.880 3.725 3.620 3.845 0.060 2 0 "[ . 1 . 2]" 3
42 1 3 DT C2 2 11 DA C2 . 4.210 4.410 4.221 4.150 4.279 0.060 18 0 "[ . 1 . 2]" 3
43 1 3 DT C5 2 11 DA C5 . 6.950 7.150 7.022 6.979 7.049 . 0 0 "[ . 1 . 2]" 3
44 1 3 DT C5 2 11 DA C4 . 7.650 7.850 7.687 7.611 7.727 0.039 17 0 "[ . 1 . 2]" 3
45 1 3 DT C5 2 11 DA N3 . 7.360 7.560 7.348 7.212 7.423 0.148 18 0 "[ . 1 . 2]" 3
46 1 3 DT C6 2 11 DA C5 . 7.680 7.880 7.758 7.710 7.811 . 0 0 "[ . 1 . 2]" 3
47 1 3 DT C6 2 11 DA C4 . 8.190 8.390 8.243 8.199 8.272 . 0 0 "[ . 1 . 2]" 3
48 1 3 DT C6 2 11 DA N3 . 7.690 7.890 7.700 7.583 7.753 0.107 18 0 "[ . 1 . 2]" 3
49 1 3 DT N1 2 11 DA C5 . 7.280 7.480 7.363 7.258 7.480 0.022 2 0 "[ . 1 . 2]" 3
50 1 3 DT N1 2 11 DA C4 . 7.580 7.780 7.644 7.581 7.717 . 0 0 "[ . 1 . 2]" 3
51 1 3 DT N1 2 11 DA N3 . 6.890 7.090 6.926 6.835 6.986 0.055 18 0 "[ . 1 . 2]" 3
52 1 4 DA C6 2 10 DT C4 . 4.090 4.290 4.147 4.118 4.180 . 0 0 "[ . 1 . 2]" 3
53 1 4 DA C6 2 10 DT N3 . 3.670 3.870 3.601 3.537 3.700 0.133 16 0 "[ . 1 . 2]" 3
54 1 4 DA C6 2 10 DT C2 . 4.740 4.940 4.632 4.536 4.766 0.204 16 0 "[ . 1 . 2]" 3
55 1 4 DA N1 2 10 DT C4 . 3.680 3.880 3.879 3.789 3.981 0.101 10 0 "[ . 1 . 2]" 3
56 1 4 DA N1 2 10 DT C2 . 3.680 3.880 3.657 3.587 3.736 0.093 16 0 "[ . 1 . 2]" 3
57 1 4 DA C2 2 10 DT C4 . 4.800 5.000 5.053 4.916 5.194 0.194 10 0 "[ . 1 . 2]" 3
58 1 4 DA C2 2 10 DT N3 . 3.740 3.940 3.945 3.840 4.088 0.148 10 0 "[ . 1 . 2]" 3
59 1 4 DA C2 2 10 DT C2 . 4.210 4.410 4.326 4.229 4.479 0.069 10 0 "[ . 1 . 2]" 3
60 1 4 DA C5 2 10 DT C5 . 6.950 7.150 6.960 6.919 7.014 0.031 14 0 "[ . 1 . 2]" 3
61 1 4 DA C5 2 10 DT C6 . 7.680 7.880 7.665 7.615 7.743 0.065 16 0 "[ . 1 . 2]" 3
62 1 4 DA C5 2 10 DT N1 . 7.280 7.480 7.248 7.170 7.344 0.110 16 0 "[ . 1 . 2]" 3
63 1 4 DA C4 2 10 DT C5 . 7.650 7.850 7.748 7.699 7.821 . 0 0 "[ . 1 . 2]" 3
64 1 4 DA C4 2 10 DT C6 . 8.190 8.390 8.276 8.233 8.362 . 0 0 "[ . 1 . 2]" 3
65 1 4 DA C4 2 10 DT N1 . 7.580 7.780 7.659 7.593 7.760 . 0 0 "[ . 1 . 2]" 3
66 1 4 DA N3 2 10 DT C5 . 7.360 7.560 7.534 7.446 7.664 0.104 10 0 "[ . 1 . 2]" 3
67 1 4 DA N3 2 10 DT C6 . 7.690 7.890 7.848 7.769 7.992 0.102 10 0 "[ . 1 . 2]" 3
68 1 4 DA N3 2 10 DT N1 . 6.890 7.090 7.044 6.948 7.199 0.109 10 0 "[ . 1 . 2]" 3
69 1 5 DG C6 2 9 DC C4 . 4.040 4.240 4.198 4.155 4.242 0.002 1 0 "[ . 1 . 2]" 3
70 1 5 DG C6 2 9 DC N3 . 3.600 3.800 3.580 3.445 3.847 0.155 17 0 "[ . 1 . 2]" 3
71 1 5 DG C6 2 9 DC C2 . 4.710 4.910 4.579 4.372 4.997 0.338 17 0 "[ . 1 . 2]" 3
72 1 5 DG N1 2 9 DC C4 . 3.670 3.870 3.896 3.683 3.979 0.109 18 0 "[ . 1 . 2]" 3
73 1 5 DG N1 2 9 DC C2 . 3.660 3.860 3.577 3.444 3.853 0.216 17 0 "[ . 1 . 2]" 3
74 1 5 DG C2 2 9 DC C4 . 4.800 5.000 5.058 4.721 5.183 0.183 17 0 "[ . 1 . 2]" 3
75 1 5 DG C2 2 9 DC N3 . 3.730 3.930 3.891 3.677 3.975 0.053 14 0 "[ . 1 . 2]" 3
76 1 5 DG C2 2 9 DC C2 . 4.200 4.400 4.185 4.155 4.226 0.045 17 0 "[ . 1 . 2]" 3
77 1 5 DG C5 2 9 DC C5 . 6.880 7.080 7.041 6.987 7.100 0.020 1 0 "[ . 1 . 2]" 3
78 1 5 DG C5 2 9 DC C6 . 7.620 7.820 7.668 7.560 7.823 0.060 17 0 "[ . 1 . 2]" 3
79 1 5 DG C5 2 9 DC N1 . 7.240 7.440 7.183 7.020 7.469 0.220 17 0 "[ . 1 . 2]" 3
80 1 5 DG C4 2 9 DC C5 . 7.620 7.820 7.799 7.710 7.854 0.034 18 0 "[ . 1 . 2]" 3
81 1 5 DG C4 2 9 DC C6 . 8.170 8.370 8.236 8.184 8.285 . 0 0 "[ . 1 . 2]" 3
82 1 5 DG C4 2 9 DC N1 . 7.570 7.770 7.544 7.442 7.701 0.128 17 0 "[ . 1 . 2]" 3
83 1 5 DG N3 2 9 DC C5 . 7.370 7.570 7.559 7.347 7.641 0.071 18 0 "[ . 1 . 2]" 3
84 1 5 DG N3 2 9 DC C6 . 7.710 7.910 7.779 7.701 7.813 0.009 14 0 "[ . 1 . 2]" 3
85 1 5 DG N3 2 9 DC N1 . 6.920 7.120 6.905 6.860 6.950 0.060 17 0 "[ . 1 . 2]" 3
86 1 6 DG C6 2 8 DC C4 . 4.040 4.240 4.188 4.124 4.243 0.003 1 0 "[ . 1 . 2]" 3
87 1 6 DG C6 2 8 DC N3 . 3.600 3.800 3.507 3.391 3.826 0.209 15 0 "[ . 1 . 2]" 3
88 1 6 DG C6 2 8 DC C2 . 4.710 4.910 4.453 4.236 4.961 0.474 1 0 "[ . 1 . 2]" 3
89 1 6 DG N1 2 8 DC C4 . 3.670 3.870 3.940 3.664 4.105 0.235 1 0 "[ . 1 . 2]" 3
90 1 6 DG N1 2 8 DC C2 . 3.660 3.860 3.489 3.353 3.824 0.307 1 0 "[ . 1 . 2]" 3
91 1 6 DG C2 2 8 DC C4 . 4.800 5.000 5.128 4.694 5.337 0.337 1 0 "[ . 1 . 2]" 3
92 1 6 DG C2 2 8 DC N3 . 3.730 3.930 3.935 3.653 4.081 0.151 1 0 "[ . 1 . 2]" 3
93 1 6 DG C2 2 8 DC C2 . 4.200 4.400 4.155 4.114 4.205 0.086 15 0 "[ . 1 . 2]" 3
94 1 6 DG C5 2 8 DC C5 . 6.880 7.080 7.028 6.950 7.069 . 0 0 "[ . 1 . 2]" 3
95 1 6 DG C5 2 8 DC C6 . 7.620 7.820 7.611 7.478 7.793 0.142 15 0 "[ . 1 . 2]" 3
96 1 6 DG C5 2 8 DC N1 . 7.240 7.440 7.081 6.907 7.430 0.333 15 0 "[ . 1 . 2]" 3
97 1 6 DG C4 2 8 DC C5 . 7.620 7.820 7.806 7.691 7.889 0.069 1 0 "[ . 1 . 2]" 3
98 1 6 DG C4 2 8 DC C6 . 8.170 8.370 8.197 8.114 8.246 0.056 15 0 "[ . 1 . 2]" 3
99 1 6 DG C4 2 8 DC N1 . 7.570 7.770 7.466 7.341 7.669 0.229 15 0 "[ . 1 . 2]" 3
100 1 6 DG N3 2 8 DC C5 . 7.370 7.570 7.591 7.324 7.717 0.147 1 0 "[ . 1 . 2]" 3
101 1 6 DG N3 2 8 DC C6 . 7.710 7.910 7.765 7.677 7.792 0.033 12 0 "[ . 1 . 2]" 3
102 1 6 DG N3 2 8 DC N1 . 6.920 7.120 6.858 6.789 6.924 0.131 15 0 "[ . 1 . 2]" 3
103 1 7 DG C6 2 7 DC C4 . 4.040 4.240 4.194 4.144 4.321 0.081 1 0 "[ . 1 . 2]" 3
104 1 7 DG C6 2 7 DC N3 . 3.600 3.800 3.605 3.468 4.003 0.203 1 0 "[ . 1 . 2]" 3
105 1 7 DG C6 2 7 DC C2 . 4.710 4.910 4.616 4.398 5.174 0.312 10 0 "[ . 1 . 2]" 3
106 1 7 DG N1 2 7 DC C4 . 3.670 3.870 3.853 3.567 3.960 0.103 1 0 "[ . 1 . 2]" 3
107 1 7 DG N1 2 7 DC C2 . 3.660 3.860 3.598 3.456 3.933 0.204 10 0 "[ . 1 . 2]" 3
108 1 7 DG C2 2 7 DC C4 . 4.800 5.000 4.980 4.380 5.161 0.420 1 0 "[ . 1 . 2]" 3
109 1 7 DG C2 2 7 DC N3 . 3.730 3.930 3.837 3.367 3.957 0.363 1 0 "[ . 1 . 2]" 3
110 1 7 DG C2 2 7 DC C2 . 4.200 4.400 4.171 3.983 4.210 0.217 1 0 "[ . 1 . 2]" 3
111 1 7 DG C5 2 7 DC C5 . 6.880 7.080 7.029 6.952 7.095 0.015 1 0 "[ . 1 . 2]" 3
112 1 7 DG C5 2 7 DC C6 . 7.620 7.820 7.678 7.570 7.853 0.050 18 0 "[ . 1 . 2]" 3
113 1 7 DG C5 2 7 DC N1 . 7.240 7.440 7.205 7.049 7.492 0.191 10 0 "[ . 1 . 2]" 3
114 1 7 DG C4 2 7 DC C5 . 7.620 7.820 7.757 7.553 7.820 0.067 1 0 "[ . 1 . 2]" 3
115 1 7 DG C4 2 7 DC C6 . 8.170 8.370 8.221 8.109 8.273 0.061 1 0 "[ . 1 . 2]" 3
116 1 7 DG C4 2 7 DC N1 . 7.570 7.770 7.545 7.433 7.669 0.137 18 0 "[ . 1 . 2]" 3
117 1 7 DG N3 2 7 DC C5 . 7.370 7.570 7.491 7.019 7.612 0.351 1 0 "[ . 1 . 2]" 3
118 1 7 DG N3 2 7 DC C6 . 7.710 7.910 7.742 7.371 7.803 0.339 1 0 "[ . 1 . 2]" 3
119 1 7 DG N3 2 7 DC N1 . 6.920 7.120 6.889 6.610 6.943 0.310 1 0 "[ . 1 . 2]" 3
120 1 8 DT C4 2 6 DA C6 . 4.090 4.290 4.178 4.145 4.198 . 0 0 "[ . 1 . 2]" 3
121 1 8 DT C4 2 6 DA N1 . 3.680 3.880 3.653 3.494 3.726 0.186 9 0 "[ . 1 . 2]" 3
122 1 8 DT C4 2 6 DA C2 . 4.800 5.000 4.705 4.455 4.824 0.345 9 0 "[ . 1 . 2]" 3
123 1 8 DT N3 2 6 DA C6 . 3.670 3.870 3.776 3.693 3.882 0.012 9 0 "[ . 1 . 2]" 3
124 1 8 DT N3 2 6 DA C2 . 3.740 3.940 3.661 3.482 3.770 0.258 9 0 "[ . 1 . 2]" 3
125 1 8 DT C2 2 6 DA C6 . 4.740 4.940 4.847 4.705 5.007 0.067 9 0 "[ . 1 . 2]" 3
126 1 8 DT C2 2 6 DA N1 . 3.680 3.880 3.726 3.609 3.820 0.071 14 0 "[ . 1 . 2]" 3
127 1 8 DT C2 2 6 DA C2 . 4.210 4.410 4.151 4.032 4.250 0.178 5 0 "[ . 1 . 2]" 3
128 1 8 DT C5 2 6 DA C5 . 6.950 7.150 7.008 6.957 7.035 . 0 0 "[ . 1 . 2]" 3
129 1 8 DT C5 2 6 DA C4 . 7.650 7.850 7.655 7.550 7.716 0.100 9 0 "[ . 1 . 2]" 3
130 1 8 DT C5 2 6 DA N3 . 7.360 7.560 7.284 7.088 7.389 0.272 9 0 "[ . 1 . 2]" 3
131 1 8 DT C6 2 6 DA C5 . 7.680 7.880 7.739 7.665 7.784 0.015 18 0 "[ . 1 . 2]" 3
132 1 8 DT C6 2 6 DA C4 . 8.190 8.390 8.202 8.132 8.264 0.058 9 0 "[ . 1 . 2]" 3
133 1 8 DT C6 2 6 DA N3 . 7.690 7.890 7.630 7.479 7.744 0.211 9 0 "[ . 1 . 2]" 3
134 1 8 DT N1 2 6 DA C5 . 7.280 7.480 7.352 7.239 7.422 0.041 14 0 "[ . 1 . 2]" 3
135 1 8 DT N1 2 6 DA C4 . 7.580 7.780 7.600 7.493 7.671 0.087 5 0 "[ . 1 . 2]" 3
136 1 8 DT N1 2 6 DA N3 . 6.890 7.090 6.849 6.729 6.966 0.161 15 0 "[ . 1 . 2]" 3
137 1 9 DT C4 2 5 DA C6 . 4.090 4.290 4.173 4.137 4.198 . 0 0 "[ . 1 . 2]" 3
138 1 9 DT C4 2 5 DA N1 . 3.680 3.880 3.633 3.499 3.817 0.181 19 0 "[ . 1 . 2]" 3
139 1 9 DT C4 2 5 DA C2 . 4.800 5.000 4.678 4.459 4.962 0.341 19 0 "[ . 1 . 2]" 3
140 1 9 DT N3 2 5 DA C6 . 3.670 3.870 3.803 3.681 3.916 0.046 3 0 "[ . 1 . 2]" 3
141 1 9 DT N3 2 5 DA C2 . 3.740 3.940 3.668 3.491 3.894 0.249 19 0 "[ . 1 . 2]" 3
142 1 9 DT C2 2 5 DA C6 . 4.740 4.940 4.915 4.725 5.087 0.147 3 0 "[ . 1 . 2]" 3
143 1 9 DT C2 2 5 DA N1 . 3.680 3.880 3.798 3.630 3.939 0.059 3 0 "[ . 1 . 2]" 3
144 1 9 DT C2 2 5 DA C2 . 4.210 4.410 4.216 4.103 4.358 0.107 5 0 "[ . 1 . 2]" 3
145 1 9 DT C5 2 5 DA C5 . 6.950 7.150 7.010 6.961 7.042 . 0 0 "[ . 1 . 2]" 3
146 1 9 DT C5 2 5 DA C4 . 7.650 7.850 7.646 7.531 7.779 0.119 19 0 "[ . 1 . 2]" 3
147 1 9 DT C5 2 5 DA N3 . 7.360 7.560 7.273 7.087 7.510 0.273 1 0 "[ . 1 . 2]" 3
148 1 9 DT C6 2 5 DA C5 . 7.680 7.880 7.775 7.696 7.834 . 0 0 "[ . 1 . 2]" 3
149 1 9 DT C6 2 5 DA C4 . 8.190 8.390 8.230 8.144 8.326 0.046 19 0 "[ . 1 . 2]" 3
150 1 9 DT C6 2 5 DA N3 . 7.690 7.890 7.655 7.496 7.856 0.194 1 0 "[ . 1 . 2]" 3
151 1 9 DT N1 2 5 DA C5 . 7.280 7.480 7.420 7.278 7.529 0.049 3 0 "[ . 1 . 2]" 3
152 1 9 DT N1 2 5 DA C4 . 7.580 7.780 7.661 7.544 7.747 0.036 4 0 "[ . 1 . 2]" 3
153 1 9 DT N1 2 5 DA N3 . 6.890 7.090 6.907 6.780 7.070 0.110 1 0 "[ . 1 . 2]" 3
154 1 10 DA C6 2 4 DT C4 . 4.090 4.290 4.192 4.144 4.246 . 0 0 "[ . 1 . 2]" 3
155 1 10 DA C6 2 4 DT N3 . 3.670 3.870 3.851 3.639 4.003 0.133 8 0 "[ . 1 . 2]" 3
156 1 10 DA C6 2 4 DT C2 . 4.740 4.940 4.991 4.659 5.200 0.260 8 0 "[ . 1 . 2]" 3
157 1 10 DA N1 2 4 DT C4 . 3.680 3.880 3.711 3.574 3.812 0.106 19 0 "[ . 1 . 2]" 3
158 1 10 DA N1 2 4 DT C2 . 3.680 3.880 3.903 3.609 4.086 0.206 10 0 "[ . 1 . 2]" 3
159 1 10 DA C2 2 4 DT C4 . 4.800 5.000 4.791 4.593 4.943 0.207 19 0 "[ . 1 . 2]" 3
160 1 10 DA C2 2 4 DT N3 . 3.740 3.940 3.811 3.614 3.939 0.126 19 0 "[ . 1 . 2]" 3
161 1 10 DA C2 2 4 DT C2 . 4.210 4.410 4.392 4.170 4.593 0.183 10 0 "[ . 1 . 2]" 3
162 1 10 DA C5 2 4 DT C5 . 6.950 7.150 7.029 6.978 7.094 . 0 0 "[ . 1 . 2]" 3
163 1 10 DA C5 2 4 DT C6 . 7.680 7.880 7.830 7.703 7.918 0.038 13 0 "[ . 1 . 2]" 3
164 1 10 DA C5 2 4 DT N1 . 7.280 7.480 7.514 7.252 7.669 0.189 7 0 "[ . 1 . 2]" 3
165 1 10 DA C4 2 4 DT C5 . 7.650 7.850 7.709 7.597 7.767 0.053 19 0 "[ . 1 . 2]" 3
166 1 10 DA C4 2 4 DT C6 . 8.190 8.390 8.334 8.190 8.428 0.038 13 0 "[ . 1 . 2]" 3
167 1 10 DA C4 2 4 DT N1 . 7.580 7.780 7.810 7.574 7.989 0.209 10 0 "[ . 1 . 2]" 3
168 1 10 DA N3 2 4 DT C5 . 7.360 7.560 7.378 7.179 7.463 0.181 19 0 "[ . 1 . 2]" 3
169 1 10 DA N3 2 4 DT C6 . 7.690 7.890 7.800 7.570 7.925 0.120 19 0 "[ . 1 . 2]" 3
170 1 10 DA N3 2 4 DT N1 . 6.890 7.090 7.093 6.847 7.288 0.198 10 0 "[ . 1 . 2]" 3
171 1 11 DG C6 2 3 DC C4 . 4.040 4.240 4.208 4.162 4.259 0.019 15 0 "[ . 1 . 2]" 3
172 1 11 DG C6 2 3 DC N3 . 3.600 3.800 3.621 3.443 3.760 0.157 17 0 "[ . 1 . 2]" 3
173 1 11 DG C6 2 3 DC C2 . 4.710 4.910 4.642 4.376 4.859 0.334 17 0 "[ . 1 . 2]" 3
174 1 11 DG N1 2 3 DC C4 . 3.670 3.870 3.849 3.721 3.970 0.100 17 0 "[ . 1 . 2]" 3
175 1 11 DG N1 2 3 DC C2 . 3.660 3.860 3.613 3.440 3.753 0.220 17 0 "[ . 1 . 2]" 3
176 1 11 DG C2 2 3 DC C4 . 4.800 5.000 4.976 4.761 5.179 0.179 17 0 "[ . 1 . 2]" 3
177 1 11 DG C2 2 3 DC N3 . 3.730 3.930 3.836 3.690 3.964 0.040 4 0 "[ . 1 . 2]" 3
178 1 11 DG C2 2 3 DC C2 . 4.200 4.400 4.177 4.128 4.221 0.072 12 0 "[ . 1 . 2]" 3
179 1 11 DG C5 2 3 DC C5 . 6.880 7.080 7.052 6.990 7.119 0.039 15 0 "[ . 1 . 2]" 3
180 1 11 DG C5 2 3 DC C6 . 7.620 7.820 7.697 7.560 7.790 0.060 17 0 "[ . 1 . 2]" 3
181 1 11 DG C5 2 3 DC N1 . 7.240 7.440 7.229 7.019 7.376 0.221 17 0 "[ . 1 . 2]" 3
182 1 11 DG C4 2 3 DC C5 . 7.620 7.820 7.769 7.675 7.841 0.021 15 0 "[ . 1 . 2]" 3
183 1 11 DG C4 2 3 DC C6 . 8.170 8.370 8.227 8.159 8.297 0.011 17 0 "[ . 1 . 2]" 3
184 1 11 DG C4 2 3 DC N1 . 7.570 7.770 7.558 7.414 7.630 0.156 17 0 "[ . 1 . 2]" 3
185 1 11 DG N3 2 3 DC C5 . 7.370 7.570 7.494 7.340 7.606 0.036 13 0 "[ . 1 . 2]" 3
186 1 11 DG N3 2 3 DC C6 . 7.710 7.910 7.738 7.675 7.800 0.035 4 0 "[ . 1 . 2]" 3
187 1 11 DG N3 2 3 DC N1 . 6.920 7.120 6.894 6.822 6.949 0.098 6 0 "[ . 1 . 2]" 3
188 1 12 DG C6 2 2 DC C4 . 4.040 4.240 4.191 4.128 4.241 0.001 17 0 "[ . 1 . 2]" 3
189 1 12 DG C6 2 2 DC N3 . 3.600 3.800 3.663 3.452 3.798 0.148 5 0 "[ . 1 . 2]" 3
190 1 12 DG C6 2 2 DC C2 . 4.710 4.910 4.716 4.385 4.907 0.325 5 0 "[ . 1 . 2]" 3
191 1 12 DG N1 2 2 DC C4 . 3.670 3.870 3.810 3.708 3.962 0.092 5 0 "[ . 1 . 2]" 3
192 1 12 DG N1 2 2 DC C2 . 3.660 3.860 3.669 3.451 3.802 0.209 5 0 "[ . 1 . 2]" 3
193 1 12 DG C2 2 2 DC C4 . 4.800 5.000 4.929 4.778 5.175 0.175 5 0 "[ . 1 . 2]" 3
194 1 12 DG C2 2 2 DC N3 . 3.730 3.930 3.809 3.714 3.965 0.035 5 0 "[ . 1 . 2]" 3
195 1 12 DG C2 2 2 DC C2 . 4.200 4.400 4.202 4.155 4.244 0.045 5 0 "[ . 1 . 2]" 3
196 1 12 DG C5 2 2 DC C5 . 6.880 7.080 7.029 6.955 7.090 0.010 6 0 "[ . 1 . 2]" 3
197 1 12 DG C5 2 2 DC C6 . 7.620 7.820 7.704 7.570 7.806 0.050 5 0 "[ . 1 . 2]" 3
198 1 12 DG C5 2 2 DC N1 . 7.240 7.440 7.277 7.033 7.427 0.207 5 0 "[ . 1 . 2]" 3
199 1 12 DG C4 2 2 DC C5 . 7.620 7.820 7.750 7.667 7.837 0.017 15 0 "[ . 1 . 2]" 3
200 1 12 DG C4 2 2 DC C6 . 8.170 8.370 8.238 8.165 8.302 0.005 19 0 "[ . 1 . 2]" 3
201 1 12 DG C4 2 2 DC N1 . 7.570 7.770 7.602 7.445 7.699 0.125 5 0 "[ . 1 . 2]" 3
202 1 12 DG N3 2 2 DC C5 . 7.370 7.570 7.473 7.366 7.620 0.050 5 0 "[ . 1 . 2]" 3
203 1 12 DG N3 2 2 DC C6 . 7.710 7.910 7.748 7.679 7.806 0.031 10 0 "[ . 1 . 2]" 3
204 1 12 DG N3 2 2 DC N1 . 6.920 7.120 6.928 6.860 6.980 0.060 5 0 "[ . 1 . 2]" 3
205 1 13 DG C6 2 1 DC C4 . 4.040 4.240 4.162 4.124 4.258 0.018 16 0 "[ . 1 . 2]" 3
206 1 13 DG C6 2 1 DC N3 . 3.600 3.800 3.532 3.442 3.687 0.158 9 0 "[ . 1 . 2]" 3
207 1 13 DG C6 2 1 DC C2 . 4.710 4.910 4.509 4.357 4.721 0.353 9 0 "[ . 1 . 2]" 3
208 1 13 DG N1 2 1 DC C4 . 3.670 3.870 3.865 3.824 3.915 0.045 9 0 "[ . 1 . 2]" 3
209 1 13 DG N1 2 1 DC C2 . 3.660 3.860 3.527 3.424 3.665 0.236 9 0 "[ . 1 . 2]" 3
210 1 13 DG C2 2 1 DC C4 . 4.800 5.000 5.016 4.928 5.098 0.098 5 0 "[ . 1 . 2]" 3
211 1 13 DG C2 2 1 DC N3 . 3.730 3.930 3.857 3.794 3.913 . 0 0 "[ . 1 . 2]" 3
212 1 13 DG C2 2 1 DC C2 . 4.200 4.400 4.153 4.119 4.192 0.081 9 0 "[ . 1 . 2]" 3
213 1 13 DG C5 2 1 DC C5 . 6.880 7.080 6.994 6.931 7.100 0.020 16 0 "[ . 1 . 2]" 3
214 1 13 DG C5 2 1 DC C6 . 7.620 7.820 7.615 7.529 7.767 0.091 13 0 "[ . 1 . 2]" 3
215 1 13 DG C5 2 1 DC N1 . 7.240 7.440 7.118 7.006 7.307 0.234 9 0 "[ . 1 . 2]" 3
216 1 13 DG C4 2 1 DC C5 . 7.620 7.820 7.745 7.651 7.811 . 0 0 "[ . 1 . 2]" 3
217 1 13 DG C4 2 1 DC C6 . 8.170 8.370 8.186 8.139 8.258 0.031 13 0 "[ . 1 . 2]" 3
218 1 13 DG C4 2 1 DC N1 . 7.570 7.770 7.490 7.413 7.603 0.157 9 0 "[ . 1 . 2]" 3
219 1 13 DG N3 2 1 DC C5 . 7.370 7.570 7.511 7.413 7.574 0.004 5 0 "[ . 1 . 2]" 3
220 1 13 DG N3 2 1 DC C6 . 7.710 7.910 7.742 7.699 7.771 0.011 10 0 "[ . 1 . 2]" 3
221 1 13 DG N3 2 1 DC N1 . 6.920 7.120 6.871 6.828 6.908 0.092 9 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 46
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 14.684
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0262
_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 2 DT 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 DT 0.003 0.003 3 0 "[ . 1 . 2]"
1 5 DG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 DA 0.035 0.035 12 0 "[ . 1 . 2]"
2 5 DA 0.162 0.023 12 0 "[ . 1 . 2]"
2 6 DA 0.049 0.013 10 0 "[ . 1 . 2]"
2 7 DC 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DC 0.485 0.290 14 0 "[ . 1 . 2]"
2 9 DC 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 ARG 0.035 0.035 12 0 "[ . 1 . 2]"
3 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 14 TRP 0.049 0.013 10 0 "[ . 1 . 2]"
3 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
3 34 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
3 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 49 VAL 0.488 0.290 14 0 "[ . 1 . 2]"
3 50 MET 0.000 0.000 . 0 "[ . 1 . 2]"
3 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
3 57 THR 0.162 0.023 12 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 10 DA H4' 3 11 ARG H . . 6.500 4.741 3.127 6.407 . 0 0 "[ . 1 . 2]" 4
2 2 6 DA H1' 3 11 ARG QB . . 7.500 4.717 3.796 5.955 . 0 0 "[ . 1 . 2]" 4
3 2 6 DA H4' 3 11 ARG QB . . 6.500 3.299 2.235 5.540 . 0 0 "[ . 1 . 2]" 4
4 1 10 DA H4' 3 11 ARG QB . . 6.500 4.068 2.559 5.207 . 0 0 "[ . 1 . 2]" 4
5 1 10 DA H1' 3 11 ARG QD . . 6.500 2.921 2.229 4.427 . 0 0 "[ . 1 . 2]" 4
6 1 10 DA H4' 3 11 ARG QD . . 5.500 3.386 2.106 4.460 . 0 0 "[ . 1 . 2]" 4
7 2 5 DA H2 3 11 ARG QD . . 6.500 4.336 3.455 5.286 . 0 0 "[ . 1 . 2]" 4
8 2 6 DA H1' 3 11 ARG QD . . 6.500 3.180 2.391 4.015 . 0 0 "[ . 1 . 2]" 4
9 2 6 DA H4' 3 11 ARG QD . . 6.500 2.646 2.074 4.449 . 0 0 "[ . 1 . 2]" 4
10 2 7 DC H4' 3 11 ARG QD . . 6.500 4.182 2.351 5.798 . 0 0 "[ . 1 . 2]" 4
11 2 7 DC H4' 3 11 ARG HE . . 5.500 3.446 2.320 5.081 . 0 0 "[ . 1 . 2]" 4
12 1 10 DA H4' 3 11 ARG HE . . 5.500 3.072 1.992 5.535 0.035 12 0 "[ . 1 . 2]" 4
13 2 6 DA H4' 3 13 ALA H . . 6.500 5.037 4.193 5.981 . 0 0 "[ . 1 . 2]" 4
14 2 6 DA H3' 3 13 ALA HA . . 5.500 3.920 2.380 4.585 . 0 0 "[ . 1 . 2]" 4
15 2 6 DA H4' 3 13 ALA HA . . 4.500 3.765 3.036 4.208 . 0 0 "[ . 1 . 2]" 4
16 2 6 DA H3' 3 13 ALA MB . . 7.000 5.255 3.801 5.833 . 0 0 "[ . 1 . 2]" 4
17 2 6 DA H4' 3 13 ALA MB . . 6.000 4.473 3.290 4.997 . 0 0 "[ . 1 . 2]" 4
18 2 6 DA H3' 3 14 TRP H . . 6.500 4.439 3.857 4.891 . 0 0 "[ . 1 . 2]" 4
19 2 6 DA H4' 3 14 TRP H . . 5.500 5.262 4.721 5.513 0.013 10 0 "[ . 1 . 2]" 4
20 2 6 DA H3' 3 14 TRP HD1 . . 4.500 2.816 2.548 3.152 . 0 0 "[ . 1 . 2]" 4
21 2 6 DA H4' 3 14 TRP HD1 . . 5.500 4.688 3.993 5.350 . 0 0 "[ . 1 . 2]" 4
22 2 6 DA H3' 3 14 TRP HE1 . . 4.500 2.837 2.079 3.767 . 0 0 "[ . 1 . 2]" 4
23 2 6 DA H4' 3 14 TRP HE1 . . 6.500 5.559 4.777 6.489 . 0 0 "[ . 1 . 2]" 4
24 1 3 DT H3' 3 32 GLY QA . . 7.500 2.855 2.205 3.772 . 0 0 "[ . 1 . 2]" 4
25 1 3 DT H3' 3 34 TRP H . . 6.500 4.242 3.955 4.432 . 0 0 "[ . 1 . 2]" 4
26 1 3 DT Q5' 3 34 TRP H . . 7.500 3.943 3.524 4.530 . 0 0 "[ . 1 . 2]" 4
27 1 3 DT H3' 3 34 TRP HD1 . . 4.500 2.504 2.322 2.692 . 0 0 "[ . 1 . 2]" 4
28 1 3 DT H6 3 34 TRP HD1 . . 5.500 3.853 3.233 4.413 . 0 0 "[ . 1 . 2]" 4
29 1 3 DT H3' 3 34 TRP HE1 . . 4.500 2.490 2.255 2.994 . 0 0 "[ . 1 . 2]" 4
30 1 2 DT H3' 3 35 SER QB . . 5.500 2.777 2.140 4.560 . 0 0 "[ . 1 . 2]" 4
31 1 2 DT H4' 3 35 SER QB . . 7.500 4.065 3.475 5.100 . 0 0 "[ . 1 . 2]" 4
32 1 3 DT M7 3 49 VAL MG2 . . 8.500 1.998 1.897 2.220 0.003 3 0 "[ . 1 . 2]" 4
33 2 8 DC H5 3 49 VAL MG2 . . 5.000 4.709 4.247 5.290 0.290 14 0 "[ . 1 . 2]" 4
34 2 8 DC H6 3 49 VAL MG2 . . 7.000 5.647 5.178 6.478 . 0 0 "[ . 1 . 2]" 4
35 2 9 DC H5 3 49 VAL MG2 . . 7.000 4.284 3.822 5.070 . 0 0 "[ . 1 . 2]" 4
36 2 8 DC H5 3 49 VAL MG1 . . 7.000 2.645 2.099 3.830 . 0 0 "[ . 1 . 2]" 4
37 1 3 DT H6 3 49 VAL MG1 . . 7.000 6.212 5.730 6.697 . 0 0 "[ . 1 . 2]" 4
38 1 3 DT M7 3 49 VAL MG1 . . 6.500 3.862 3.575 4.170 . 0 0 "[ . 1 . 2]" 4
39 2 7 DC H3' 3 50 MET ME . . 6.000 2.627 2.045 4.981 . 0 0 "[ . 1 . 2]" 4
40 2 7 DC H4' 3 50 MET ME . . 8.000 4.742 4.238 6.070 . 0 0 "[ . 1 . 2]" 4
41 1 5 DG H8 3 56 ARG QD . . 6.500 3.996 2.559 5.077 . 0 0 "[ . 1 . 2]" 4
42 2 5 DA H1' 3 57 THR HG1 . . 7.000 5.888 5.501 6.336 . 0 0 "[ . 1 . 2]" 4
43 2 5 DA H3' 3 57 THR HG1 . . 5.000 4.649 3.927 5.023 0.023 12 0 "[ . 1 . 2]" 4
44 2 5 DA H4' 3 57 THR HG1 . . 7.000 6.885 6.317 7.022 0.022 3 0 "[ . 1 . 2]" 4
45 2 5 DA H8 3 57 THR HG1 . . 6.000 4.161 3.035 5.346 . 0 0 "[ . 1 . 2]" 4
46 2 6 DA H8 3 57 THR HG1 . . 7.000 4.154 3.445 5.088 . 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 48
_Distance_constraint_stats_list.Viol_count 359
_Distance_constraint_stats_list.Viol_total 359.909
_Distance_constraint_stats_list.Viol_max 0.209
_Distance_constraint_stats_list.Viol_rms 0.0361
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0187
_Distance_constraint_stats_list.Viol_average_violations_only 0.0501
_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
3 15 LEU 0.850 0.132 19 0 "[ . 1 . 2]"
3 16 TRP 2.686 0.169 19 0 "[ . 1 . 2]"
3 17 GLU 1.294 0.209 2 0 "[ . 1 . 2]"
3 18 GLU 0.499 0.074 4 0 "[ . 1 . 2]"
3 19 ASP 1.358 0.132 19 0 "[ . 1 . 2]"
3 20 LYS 3.886 0.169 19 0 "[ . 1 . 2]"
3 21 ASN 1.855 0.209 2 0 "[ . 1 . 2]"
3 22 LEU 0.973 0.075 11 0 "[ . 1 . 2]"
3 23 ARG 1.055 0.155 17 0 "[ . 1 . 2]"
3 24 SER 2.125 0.157 19 0 "[ . 1 . 2]"
3 25 GLY 1.060 0.080 6 0 "[ . 1 . 2]"
3 26 VAL 0.473 0.075 11 0 "[ . 1 . 2]"
3 27 ARG 0.547 0.155 17 0 "[ . 1 . 2]"
3 28 LYS 0.925 0.141 14 0 "[ . 1 . 2]"
3 29 TYR 0.499 0.072 14 0 "[ . 1 . 2]"
3 33 ASN 0.493 0.096 9 0 "[ . 1 . 2]"
3 34 TRP 0.749 0.074 15 0 "[ . 1 . 2]"
3 35 SER 0.631 0.122 10 0 "[ . 1 . 2]"
3 37 ILE 0.493 0.096 9 0 "[ . 1 . 2]"
3 38 LEU 0.749 0.074 15 0 "[ . 1 . 2]"
3 39 LEU 0.631 0.122 10 0 "[ . 1 . 2]"
3 47 THR 3.127 0.208 12 0 "[ . 1 . 2]"
3 48 SER 0.171 0.057 8 0 "[ . 1 . 2]"
3 49 VAL 0.424 0.056 3 0 "[ . 1 . 2]"
3 50 MET 2.782 0.208 12 0 "[ . 1 . 2]"
3 51 LEU 1.024 0.144 8 0 "[ . 1 . 2]"
3 52 LYS 0.601 0.076 10 0 "[ . 1 . 2]"
3 53 ASP 0.717 0.087 3 0 "[ . 1 . 2]"
3 54 ARG 0.401 0.046 20 0 "[ . 1 . 2]"
3 55 TRP 1.235 0.144 8 0 "[ . 1 . 2]"
3 56 ARG 0.430 0.076 10 0 "[ . 1 . 2]"
3 57 THR 0.292 0.087 3 0 "[ . 1 . 2]"
3 58 MET 0.189 0.044 6 0 "[ . 1 . 2]"
3 59 LYS 0.768 0.095 5 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 3 15 LEU O 3 19 ASP H . . 2.000 1.975 1.827 2.132 0.132 19 0 "[ . 1 . 2]" 5
2 3 15 LEU O 3 19 ASP N . 2.700 3.200 2.978 2.808 3.136 . 0 0 "[ . 1 . 2]" 5
3 3 16 TRP O 3 20 LYS H . . 2.000 1.782 1.731 1.839 0.169 19 0 "[ . 1 . 2]" 5
4 3 16 TRP O 3 20 LYS N . 2.700 3.200 2.695 2.631 2.798 0.069 14 0 "[ . 1 . 2]" 5
5 3 17 GLU O 3 21 ASN H . . 2.000 2.024 1.839 2.209 0.209 2 0 "[ . 1 . 2]" 5
6 3 17 GLU O 3 21 ASN N . 2.700 3.200 2.970 2.823 3.146 . 0 0 "[ . 1 . 2]" 5
7 3 18 GLU O 3 22 LEU H . . 2.000 1.879 1.826 1.938 0.074 4 0 "[ . 1 . 2]" 5
8 3 18 GLU O 3 22 LEU N . 2.700 3.200 2.838 2.764 2.902 . 0 0 "[ . 1 . 2]" 5
9 3 19 ASP O 3 23 ARG H . . 2.000 1.882 1.810 1.956 0.090 16 0 "[ . 1 . 2]" 5
10 3 19 ASP O 3 23 ARG N . 2.700 3.200 2.873 2.810 2.968 . 0 0 "[ . 1 . 2]" 5
11 3 20 LYS O 3 24 SER H . . 2.000 2.052 1.908 2.157 0.157 19 0 "[ . 1 . 2]" 5
12 3 20 LYS O 3 24 SER N . 2.700 3.200 3.032 2.895 3.132 . 0 0 "[ . 1 . 2]" 5
13 3 21 ASN O 3 25 GLY H . . 2.000 1.887 1.820 2.047 0.080 6 0 "[ . 1 . 2]" 5
14 3 21 ASN O 3 25 GLY N . 2.700 3.200 2.843 2.766 3.037 . 0 0 "[ . 1 . 2]" 5
15 3 22 LEU O 3 26 VAL H . . 2.000 1.884 1.825 1.959 0.075 11 0 "[ . 1 . 2]" 5
16 3 22 LEU O 3 26 VAL N . 2.700 3.200 2.875 2.817 2.963 . 0 0 "[ . 1 . 2]" 5
17 3 23 ARG O 3 27 ARG H . . 2.000 1.982 1.880 2.155 0.155 17 0 "[ . 1 . 2]" 5
18 3 23 ARG O 3 27 ARG N . 2.700 3.200 2.963 2.842 3.127 . 0 0 "[ . 1 . 2]" 5
19 3 24 SER O 3 28 LYS H . . 2.000 1.984 1.818 2.141 0.141 14 0 "[ . 1 . 2]" 5
20 3 24 SER O 3 28 LYS N . 2.700 3.200 2.902 2.766 3.118 . 0 0 "[ . 1 . 2]" 5
21 3 25 GLY O 3 29 TYR H . . 2.000 1.882 1.828 1.960 0.072 14 0 "[ . 1 . 2]" 5
22 3 25 GLY O 3 29 TYR N . 2.700 3.200 2.851 2.758 2.922 . 0 0 "[ . 1 . 2]" 5
23 3 33 ASN O 3 37 ILE H . . 2.000 1.942 1.837 2.096 0.096 9 0 "[ . 1 . 2]" 5
24 3 33 ASN O 3 37 ILE N . 2.700 3.200 2.941 2.817 3.092 . 0 0 "[ . 1 . 2]" 5
25 3 34 TRP O 3 38 LEU H . . 2.000 1.863 1.826 1.897 0.074 15 0 "[ . 1 . 2]" 5
26 3 34 TRP O 3 38 LEU N . 2.700 3.200 2.830 2.777 2.888 . 0 0 "[ . 1 . 2]" 5
27 3 35 SER O 3 39 LEU H . . 2.000 2.027 1.949 2.122 0.122 10 0 "[ . 1 . 2]" 5
28 3 35 SER O 3 39 LEU N . 2.700 3.200 2.947 2.844 3.086 . 0 0 "[ . 1 . 2]" 5
29 3 47 THR O 3 51 LEU H . . 2.000 1.916 1.845 2.080 0.080 2 0 "[ . 1 . 2]" 5
30 3 47 THR O 3 51 LEU N . 2.700 3.200 2.921 2.845 3.071 . 0 0 "[ . 1 . 2]" 5
31 3 48 SER O 3 52 LYS H . . 2.000 1.946 1.890 2.057 0.057 8 0 "[ . 1 . 2]" 5
32 3 48 SER O 3 52 LYS N . 2.700 3.200 2.938 2.862 3.046 . 0 0 "[ . 1 . 2]" 5
33 3 49 VAL O 3 53 ASP H . . 2.000 1.899 1.844 2.003 0.056 3 0 "[ . 1 . 2]" 5
34 3 49 VAL O 3 53 ASP N . 2.700 3.200 2.898 2.821 3.017 . 0 0 "[ . 1 . 2]" 5
35 3 50 MET O 3 54 ARG H . . 2.000 1.912 1.854 1.996 0.046 20 0 "[ . 1 . 2]" 5
36 3 50 MET O 3 54 ARG N . 2.700 3.200 2.899 2.844 3.007 . 0 0 "[ . 1 . 2]" 5
37 3 51 LEU O 3 55 TRP H . . 2.000 2.003 1.928 2.144 0.144 8 0 "[ . 1 . 2]" 5
38 3 51 LEU O 3 55 TRP N . 2.700 3.200 3.007 2.934 3.159 . 0 0 "[ . 1 . 2]" 5
39 3 52 LYS O 3 56 ARG H . . 2.000 1.906 1.824 2.019 0.076 10 0 "[ . 1 . 2]" 5
40 3 52 LYS O 3 56 ARG N . 2.700 3.200 2.847 2.714 2.983 . 0 0 "[ . 1 . 2]" 5
41 3 53 ASP O 3 57 THR H . . 2.000 1.913 1.813 2.035 0.087 3 0 "[ . 1 . 2]" 5
42 3 53 ASP O 3 57 THR N . 2.700 3.200 2.912 2.818 3.048 . 0 0 "[ . 1 . 2]" 5
43 3 54 ARG O 3 58 MET H . . 2.000 1.932 1.856 2.034 0.044 6 0 "[ . 1 . 2]" 5
44 3 54 ARG O 3 58 MET N . 2.700 3.200 2.922 2.841 3.033 . 0 0 "[ . 1 . 2]" 5
45 3 55 TRP O 3 59 LYS H . . 2.000 1.867 1.805 1.986 0.095 5 0 "[ . 1 . 2]" 5
46 3 55 TRP O 3 59 LYS N . 2.700 3.200 2.847 2.768 2.980 . 0 0 "[ . 1 . 2]" 5
47 3 47 THR OG1 3 50 MET H . . 2.000 2.125 1.957 2.208 0.208 12 0 "[ . 1 . 2]" 5
48 3 47 THR OG1 3 50 MET N . 2.700 3.200 3.130 2.951 3.214 0.014 12 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 66
_Distance_constraint_stats_list.Viol_count 458
_Distance_constraint_stats_list.Viol_total 235.259
_Distance_constraint_stats_list.Viol_max 0.063
_Distance_constraint_stats_list.Viol_rms 0.0154
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0257
_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 1 DG 1.215 0.035 11 0 "[ . 1 . 2]"
1 2 DT 0.250 0.025 19 0 "[ . 1 . 2]"
1 3 DT 0.298 0.030 2 0 "[ . 1 . 2]"
1 4 DA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 DG 1.501 0.054 1 0 "[ . 1 . 2]"
1 6 DG 1.196 0.053 4 0 "[ . 1 . 2]"
1 7 DG 1.672 0.063 15 0 "[ . 1 . 2]"
1 8 DT 0.506 0.034 13 0 "[ . 1 . 2]"
1 9 DT 0.317 0.039 19 0 "[ . 1 . 2]"
1 10 DA 0.066 0.020 7 0 "[ . 1 . 2]"
1 11 DG 1.562 0.060 9 0 "[ . 1 . 2]"
1 12 DG 1.879 0.058 6 0 "[ . 1 . 2]"
1 13 DG 1.303 0.047 3 0 "[ . 1 . 2]"
2 1 DC 1.303 0.047 3 0 "[ . 1 . 2]"
2 2 DC 1.879 0.058 6 0 "[ . 1 . 2]"
2 3 DC 1.562 0.060 9 0 "[ . 1 . 2]"
2 4 DT 0.066 0.020 7 0 "[ . 1 . 2]"
2 5 DA 0.317 0.039 19 0 "[ . 1 . 2]"
2 6 DA 0.506 0.034 13 0 "[ . 1 . 2]"
2 7 DC 1.672 0.063 15 0 "[ . 1 . 2]"
2 8 DC 1.196 0.053 4 0 "[ . 1 . 2]"
2 9 DC 1.501 0.054 1 0 "[ . 1 . 2]"
2 10 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 DA 0.298 0.030 2 0 "[ . 1 . 2]"
2 12 DA 0.250 0.025 19 0 "[ . 1 . 2]"
2 13 DC 1.215 0.035 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 1 DG O6 2 13 DC N4 . 2.900 3.100 2.945 2.923 2.966 . 0 0 "[ . 1 . 2]" 6
2 1 1 DG O6 2 13 DC H41 . . 2.100 1.988 1.960 2.011 . 0 0 "[ . 1 . 2]" 6
3 1 1 DG N1 2 13 DC N3 . 2.810 3.100 2.882 2.872 2.890 . 0 0 "[ . 1 . 2]" 6
4 1 1 DG H1 2 13 DC N3 . . 2.010 1.904 1.891 1.919 . 0 0 "[ . 1 . 2]" 6
5 1 1 DG N2 2 13 DC O2 . 2.600 2.800 2.831 2.824 2.835 0.035 11 0 "[ . 1 . 2]" 6
6 1 1 DG H21 2 13 DC O2 . . 2.100 1.871 1.866 1.878 0.034 17 0 "[ . 1 . 2]" 6
7 1 2 DT O4 2 12 DA N6 . 2.710 2.910 2.850 2.812 2.883 . 0 0 "[ . 1 . 2]" 6
8 1 2 DT O4 2 12 DA H61 . . 1.910 1.922 1.915 1.935 0.025 19 0 "[ . 1 . 2]" 6
9 1 2 DT N3 2 12 DA N1 . 2.850 3.050 2.915 2.884 2.966 . 0 0 "[ . 1 . 2]" 6
10 1 2 DT H3 2 12 DA N1 . . 2.050 1.909 1.873 1.964 . 0 0 "[ . 1 . 2]" 6
11 1 3 DT O4 2 11 DA N6 . 2.710 2.910 2.884 2.842 2.906 . 0 0 "[ . 1 . 2]" 6
12 1 3 DT O4 2 11 DA H61 . . 1.910 1.924 1.896 1.940 0.030 2 0 "[ . 1 . 2]" 6
13 1 3 DT N3 2 11 DA N1 . 2.850 3.050 2.879 2.863 2.902 . 0 0 "[ . 1 . 2]" 6
14 1 3 DT H3 2 11 DA N1 . . 2.050 1.871 1.858 1.905 . 0 0 "[ . 1 . 2]" 6
15 1 4 DA N6 2 10 DT O4 . 2.710 2.910 2.800 2.756 2.845 . 0 0 "[ . 1 . 2]" 6
16 1 4 DA H61 2 10 DT O4 . . 1.910 1.893 1.863 1.906 . 0 0 "[ . 1 . 2]" 6
17 1 4 DA N1 2 10 DT N3 . 2.850 3.050 2.932 2.885 3.024 . 0 0 "[ . 1 . 2]" 6
18 1 4 DA N1 2 10 DT H3 . . 2.050 1.927 1.878 2.020 . 0 0 "[ . 1 . 2]" 6
19 1 5 DG O6 2 9 DC N4 . 2.900 3.100 2.906 2.890 2.932 0.010 2 0 "[ . 1 . 2]" 6
20 1 5 DG O6 2 9 DC H41 . . 2.100 1.928 1.897 1.960 0.003 14 0 "[ . 1 . 2]" 6
21 1 5 DG N1 2 9 DC N3 . 2.810 3.100 2.900 2.880 2.921 . 0 0 "[ . 1 . 2]" 6
22 1 5 DG H1 2 9 DC N3 . . 2.010 1.913 1.891 1.940 . 0 0 "[ . 1 . 2]" 6
23 1 5 DG N2 2 9 DC O2 . 2.600 2.800 2.837 2.828 2.853 0.053 8 0 "[ . 1 . 2]" 6
24 1 5 DG H21 2 9 DC O2 . . 2.100 1.865 1.846 1.880 0.054 1 0 "[ . 1 . 2]" 6
25 1 6 DG O6 2 8 DC N4 . 2.900 3.100 2.915 2.886 3.035 0.014 7 0 "[ . 1 . 2]" 6
26 1 6 DG O6 2 8 DC H41 . . 2.100 1.955 1.906 2.106 0.006 1 0 "[ . 1 . 2]" 6
27 1 6 DG N1 2 8 DC N3 . 2.810 3.100 2.894 2.854 2.946 . 0 0 "[ . 1 . 2]" 6
28 1 6 DG H1 2 8 DC N3 . . 2.010 1.920 1.869 2.016 0.006 1 0 "[ . 1 . 2]" 6
29 1 6 DG N2 2 8 DC O2 . 2.600 2.800 2.825 2.804 2.849 0.049 4 0 "[ . 1 . 2]" 6
30 1 6 DG H21 2 8 DC O2 . . 2.100 1.869 1.847 1.895 0.053 4 0 "[ . 1 . 2]" 6
31 1 7 DG O6 2 7 DC N4 . 2.900 3.100 2.907 2.890 3.096 0.010 15 0 "[ . 1 . 2]" 6
32 1 7 DG O6 2 7 DC H41 . . 2.100 1.940 1.900 2.115 0.015 1 0 "[ . 1 . 2]" 6
33 1 7 DG N1 2 7 DC N3 . 2.810 3.100 2.888 2.853 2.913 . 0 0 "[ . 1 . 2]" 6
34 1 7 DG H1 2 7 DC N3 . . 2.010 1.904 1.863 2.019 0.009 1 0 "[ . 1 . 2]" 6
35 1 7 DG N2 2 7 DC O2 . 2.600 2.800 2.828 2.556 2.863 0.063 15 0 "[ . 1 . 2]" 6
36 1 7 DG H21 2 7 DC O2 . . 2.100 1.873 1.849 2.085 0.051 19 0 "[ . 1 . 2]" 6
37 1 8 DT O4 2 6 DA N6 . 2.710 2.910 2.900 2.867 2.923 0.013 5 0 "[ . 1 . 2]" 6
38 1 8 DT O4 2 6 DA H61 . . 1.910 1.929 1.911 1.944 0.034 13 0 "[ . 1 . 2]" 6
39 1 8 DT N3 2 6 DA N1 . 2.850 3.050 2.864 2.831 2.901 0.019 5 0 "[ . 1 . 2]" 6
40 1 8 DT H3 2 6 DA N1 . . 2.050 1.869 1.836 1.902 0.014 5 0 "[ . 1 . 2]" 6
41 1 9 DT O4 2 5 DA N6 . 2.710 2.910 2.887 2.820 2.914 0.004 5 0 "[ . 1 . 2]" 6
42 1 9 DT O4 2 5 DA H61 . . 1.910 1.921 1.877 1.949 0.039 19 0 "[ . 1 . 2]" 6
43 1 9 DT N3 2 5 DA N1 . 2.850 3.050 2.883 2.841 2.953 0.009 19 0 "[ . 1 . 2]" 6
44 1 9 DT H3 2 5 DA N1 . . 2.050 1.883 1.845 1.941 0.005 10 0 "[ . 1 . 2]" 6
45 1 10 DA N6 2 4 DT O4 . 2.710 2.910 2.840 2.775 2.889 . 0 0 "[ . 1 . 2]" 6
46 1 10 DA H61 2 4 DT O4 . . 1.910 1.881 1.855 1.910 . 0 0 "[ . 1 . 2]" 6
47 1 10 DA N1 2 4 DT N3 . 2.850 3.050 2.975 2.863 3.056 0.006 10 0 "[ . 1 . 2]" 6
48 1 10 DA N1 2 4 DT H3 . . 2.050 1.975 1.864 2.070 0.020 7 0 "[ . 1 . 2]" 6
49 1 11 DG O6 2 3 DC N4 . 2.900 3.100 2.926 2.896 2.968 0.004 13 0 "[ . 1 . 2]" 6
50 1 11 DG O6 2 3 DC H41 . . 2.100 1.939 1.912 1.984 . 0 0 "[ . 1 . 2]" 6
51 1 11 DG N1 2 3 DC N3 . 2.810 3.100 2.888 2.865 2.930 . 0 0 "[ . 1 . 2]" 6
52 1 11 DG H1 2 3 DC N3 . . 2.010 1.891 1.857 1.932 . 0 0 "[ . 1 . 2]" 6
53 1 11 DG N2 2 3 DC O2 . 2.600 2.800 2.838 2.817 2.852 0.052 11 0 "[ . 1 . 2]" 6
54 1 11 DG H21 2 3 DC O2 . . 2.100 1.860 1.840 1.877 0.060 9 0 "[ . 1 . 2]" 6
55 1 12 DG O6 2 2 DC N4 . 2.900 3.100 2.898 2.890 2.933 0.010 8 0 "[ . 1 . 2]" 6
56 1 12 DG O6 2 2 DC H41 . . 2.100 1.952 1.903 2.018 . 0 0 "[ . 1 . 2]" 6
57 1 12 DG N1 2 2 DC N3 . 2.810 3.100 2.894 2.845 2.933 . 0 0 "[ . 1 . 2]" 6
58 1 12 DG H1 2 2 DC N3 . . 2.010 1.895 1.866 1.920 . 0 0 "[ . 1 . 2]" 6
59 1 12 DG N2 2 2 DC O2 . 2.600 2.800 2.847 2.828 2.858 0.058 6 0 "[ . 1 . 2]" 6
60 1 12 DG H21 2 2 DC O2 . . 2.100 1.857 1.849 1.873 0.051 11 0 "[ . 1 . 2]" 6
61 1 13 DG O6 2 1 DC N4 . 2.900 3.100 2.924 2.898 2.986 0.002 6 0 "[ . 1 . 2]" 6
62 1 13 DG O6 2 1 DC H41 . . 2.100 2.005 1.920 2.106 0.006 13 0 "[ . 1 . 2]" 6
63 1 13 DG N1 2 1 DC N3 . 2.810 3.100 2.862 2.843 2.910 . 0 0 "[ . 1 . 2]" 6
64 1 13 DG H1 2 1 DC N3 . . 2.010 1.875 1.854 1.901 . 0 0 "[ . 1 . 2]" 6
65 1 13 DG N2 2 1 DC O2 . 2.600 2.800 2.835 2.818 2.847 0.047 10 0 "[ . 1 . 2]" 6
66 1 13 DG H21 2 1 DC O2 . . 2.100 1.870 1.853 1.889 0.047 3 0 "[ . 1 . 2]" 6
stop_
save_
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