Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596814 | 2n6u RC | 25782 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6u
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 143
_Distance_constraint_stats_list.Viol_count 760
_Distance_constraint_stats_list.Viol_total 4156.698
_Distance_constraint_stats_list.Viol_max 1.951
_Distance_constraint_stats_list.Viol_rms 0.2043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0727
_Distance_constraint_stats_list.Viol_average_violations_only 0.2735
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 7.887 0.580 11 2 "[ . 1+ -. 2]"
1 2 LEU 2.497 0.242 18 0 "[ . 1 . 2]"
1 3 THR 30.102 1.951 11 19 "[***** ****+****-****]"
1 4 GLN 9.259 0.654 12 6 "[ * . * 1 +**. - 2]"
1 5 ILE 20.949 0.654 12 10 "[*** . * 1*+**.* - 2]"
1 6 GLN 5.020 0.765 19 2 "[ - 1 . +2]"
1 7 ALA 2.396 0.274 8 0 "[ . 1 . 2]"
1 8 LEU 5.350 0.476 4 0 "[ . 1 . 2]"
1 9 ASP 15.361 0.845 18 8 "[ ***.- * 1* * + 2]"
1 10 SER 13.737 0.480 10 0 "[ . 1 . 2]"
1 11 VAL 3.902 0.370 3 0 "[ . 1 . 2]"
1 12 SER 32.918 1.260 16 20 [*****-*********+****]
1 13 GLY 24.005 1.260 16 20 [***********-***+****]
1 14 GLN 11.823 0.845 18 6 "[ * . -* 1 * .* + 2]"
1 15 PHE 10.319 0.479 13 0 "[ . 1 . 2]"
1 16 ARG 56.661 1.951 11 20 [*****-****+*********]
1 17 ASP 16.583 0.437 17 0 "[ . 1 . 2]"
1 18 GLN 40.906 1.212 13 20 [*********-**+*******]
1 19 LEU 26.493 1.212 13 20 [*********-**+*******]
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 GLY H1 1 1 GLY HA2 . . 2.970 2.981 2.882 3.027 0.057 9 0 "[ . 1 . 2]" 1
2 1 1 GLY H1 1 9 ASP HA . . 2.800 2.779 2.626 2.973 0.173 2 0 "[ . 1 . 2]" 1
3 1 1 GLY H1 1 9 ASP HB2 . . 2.280 2.215 2.037 2.336 0.056 3 0 "[ . 1 . 2]" 1
4 1 1 GLY H1 1 15 PHE H . . 3.530 3.149 2.909 3.445 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY H1 1 15 PHE HB2 . . 4.140 3.487 2.938 3.969 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY HA2 1 2 LEU H . . 2.970 2.488 2.304 2.610 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY HA3 1 2 LEU H . . 2.490 2.495 2.320 2.712 0.222 5 0 "[ . 1 . 2]" 1
8 1 1 GLY HA3 1 17 ASP H . . 3.840 3.816 3.447 4.277 0.437 17 0 "[ . 1 . 2]" 1
9 1 1 GLY HA3 1 18 GLN H . . 3.320 3.504 3.087 3.900 0.580 11 2 "[ . 1+ -. 2]" 1
10 1 2 LEU H 1 3 THR H . . 3.320 2.904 2.199 3.562 0.242 18 0 "[ . 1 . 2]" 1
11 1 2 LEU H 1 17 ASP HA . . 3.400 3.142 2.609 3.480 0.080 6 0 "[ . 1 . 2]" 1
12 1 2 LEU H 1 18 GLN H . . 3.100 3.033 2.850 3.288 0.188 1 0 "[ . 1 . 2]" 1
13 1 3 THR H 1 3 THR HB . . 3.400 3.598 2.916 3.917 0.517 16 1 "[ . 1 .+ 2]" 1
14 1 3 THR HA 1 4 GLN H . . 2.710 2.591 2.314 2.791 0.081 11 0 "[ . 1 . 2]" 1
15 1 3 THR HB 1 5 ILE H . . 2.800 2.716 2.314 3.319 0.519 11 1 "[ . 1+ . 2]" 1
16 1 3 THR HB 1 16 ARG H . . 3.320 4.481 3.603 5.271 1.951 11 19 "[***** ****+*******-*]" 1
17 1 3 THR MG 1 4 GLN H . . 4.450 3.371 2.153 3.745 . 0 0 "[ . 1 . 2]" 1
18 1 3 THR MG 1 18 GLN H . . 4.270 3.399 2.632 4.484 0.214 19 0 "[ . 1 . 2]" 1
19 1 3 THR MG 1 18 GLN HA . . 3.100 2.190 1.964 2.693 . 0 0 "[ . 1 . 2]" 1
20 1 3 THR MG 1 18 GLN QG . . 4.140 2.387 1.904 3.021 . 0 0 "[ . 1 . 2]" 1
21 1 3 THR MG 1 19 LEU H . . 5.360 4.687 4.315 5.678 0.318 19 0 "[ . 1 . 2]" 1
22 1 4 GLN H 1 4 GLN HB3 . . 4.320 3.758 3.625 3.908 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLN H 1 4 GLN HG3 . . 3.920 3.248 2.735 4.211 0.291 7 0 "[ . 1 . 2]" 1
24 1 4 GLN H 1 5 ILE H . . 2.750 2.336 2.041 2.816 0.066 17 0 "[ . 1 . 2]" 1
25 1 4 GLN H 1 5 ILE MG . . 4.620 3.448 2.908 3.712 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLN HA 1 4 GLN HB3 . . 2.710 2.469 2.323 2.555 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLN HA 1 4 GLN HG2 . . 2.970 2.619 2.283 3.210 0.240 7 0 "[ . 1 . 2]" 1
28 1 4 GLN HA 1 5 ILE H . . 3.580 3.087 2.810 3.283 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLN HA 1 5 ILE MG . . 4.400 4.800 4.371 5.054 0.654 12 6 "[ * . * 1 +**. - 2]" 1
30 1 4 GLN HA 1 15 PHE QD . . 3.320 2.963 2.537 3.242 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLN HA 1 15 PHE QE . . 4.060 3.483 3.090 3.968 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLN HB3 1 15 PHE QD . . 5.090 4.643 4.042 4.997 . 0 0 "[ . 1 . 2]" 1
33 1 5 ILE H 1 5 ILE HB . . 2.540 2.778 2.604 3.167 0.627 1 3 "[+ * . 1 .- 2]" 1
34 1 5 ILE H 1 15 PHE HB3 . . 3.280 2.611 2.260 3.001 . 0 0 "[ . 1 . 2]" 1
35 1 5 ILE H 1 15 PHE QD . . 3.920 3.731 3.168 4.232 0.312 14 0 "[ . 1 . 2]" 1
36 1 5 ILE H 1 16 ARG H . . 3.450 3.417 3.193 3.849 0.399 7 0 "[ . 1 . 2]" 1
37 1 5 ILE HA 1 5 ILE HB . . 3.100 2.455 2.286 2.617 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE HA 1 6 GLN H . . 2.490 2.188 2.036 2.413 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE HA 1 15 PHE QD . . 6.390 3.706 3.251 4.262 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE MG 1 6 GLN H . . 3.840 3.901 3.340 4.219 0.379 16 0 "[ . 1 . 2]" 1
41 1 5 ILE MG 1 15 PHE QD . . 4.450 4.498 4.215 4.753 0.303 17 0 "[ . 1 . 2]" 1
42 1 5 ILE MG 1 16 ARG H . . 4.450 2.794 2.325 3.129 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE MG 1 16 ARG HD2 . . 4.060 2.770 2.116 4.060 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE MG 1 16 ARG HD3 . . 3.580 2.909 2.540 3.726 0.146 7 0 "[ . 1 . 2]" 1
45 1 6 GLN H 1 6 GLN QB . . 2.920 2.453 2.149 2.814 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLN H 1 6 GLN HG2 . . 3.760 3.256 2.071 4.525 0.765 19 2 "[ - 1 . +2]" 1
47 1 6 GLN HA 1 7 ALA H . . 2.110 2.086 1.998 2.207 0.097 13 0 "[ . 1 . 2]" 1
48 1 6 GLN HA 1 15 PHE HA . . 2.750 2.467 2.045 2.867 0.117 11 0 "[ . 1 . 2]" 1
49 1 6 GLN HA 1 15 PHE QD . . 2.920 2.216 2.001 2.503 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLN QB 1 7 ALA H . . 3.790 3.368 2.950 3.954 0.164 5 0 "[ . 1 . 2]" 1
51 1 7 ALA H 1 7 ALA HA . . 2.840 2.838 2.722 2.889 0.049 20 0 "[ . 1 . 2]" 1
52 1 7 ALA H 1 7 ALA MB . . 3.660 2.846 2.713 3.044 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 15 PHE HA . . 2.410 2.117 1.824 2.322 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 16 ARG H . . 3.490 3.312 2.348 3.764 0.274 8 0 "[ . 1 . 2]" 1
55 1 7 ALA HA 1 8 LEU H . . 2.620 2.620 2.389 2.876 0.256 6 0 "[ . 1 . 2]" 1
56 1 7 ALA MB 1 8 LEU H . . 3.100 2.227 1.961 2.478 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA MB 1 16 ARG H . . 3.790 3.028 2.686 3.471 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA MB 1 16 ARG HA . . 3.360 2.203 1.938 2.606 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA MB 1 16 ARG HD2 . . 5.520 3.152 2.466 3.960 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA MB 1 16 ARG HD3 . . 5.180 4.292 3.543 4.943 . 0 0 "[ . 1 . 2]" 1
61 1 7 ALA MB 1 16 ARG HE . . 5.090 3.882 3.171 5.145 0.055 14 0 "[ . 1 . 2]" 1
62 1 7 ALA MB 1 17 ASP H . . 5.870 3.933 3.590 4.514 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU H 1 8 LEU HB2 . . 2.670 2.448 2.125 2.943 0.273 10 0 "[ . 1 . 2]" 1
64 1 8 LEU HA 1 8 LEU HB2 . . 2.840 2.701 2.379 3.043 0.203 14 0 "[ . 1 . 2]" 1
65 1 8 LEU HA 1 8 LEU QD . . 4.090 2.134 1.954 2.455 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU HA 1 9 ASP H . . 2.280 2.131 2.030 2.357 0.077 5 0 "[ . 1 . 2]" 1
67 1 8 LEU HB2 1 9 ASP H . . 4.790 4.419 4.096 4.650 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HB3 1 9 ASP H . . 3.970 3.970 2.923 4.446 0.476 4 0 "[ . 1 . 2]" 1
69 1 8 LEU QD 1 9 ASP H . . 3.790 2.600 1.883 3.819 0.029 20 0 "[ . 1 . 2]" 1
70 1 9 ASP H 1 9 ASP HB2 . . 2.460 2.290 2.115 2.486 0.026 15 0 "[ . 1 . 2]" 1
71 1 9 ASP H 1 14 GLN HA . . 3.490 3.655 2.666 4.335 0.845 18 3 "[ - . * 1 . + 2]" 1
72 1 9 ASP HA 1 10 SER H . . 2.620 2.318 2.135 2.548 . 0 0 "[ . 1 . 2]" 1
73 1 9 ASP HB2 1 12 SER H . . 4.010 4.293 3.952 4.751 0.741 11 5 "[ * *.- 1+ * 2]" 1
74 1 9 ASP HB2 1 15 PHE H . . 2.890 2.806 2.255 3.244 0.354 12 0 "[ . 1 . 2]" 1
75 1 10 SER H 1 10 SER HB2 . . 3.050 2.527 2.160 3.530 0.480 10 0 "[ . 1 . 2]" 1
76 1 10 SER H 1 10 SER HB3 . . 3.230 3.323 2.446 3.602 0.372 1 0 "[ . 1 . 2]" 1
77 1 10 SER H 1 11 VAL H . . 3.050 2.787 2.537 3.262 0.212 8 0 "[ . 1 . 2]" 1
78 1 10 SER HA 1 10 SER HB2 . . 2.620 2.920 2.430 3.077 0.457 14 0 "[ . 1 . 2]" 1
79 1 10 SER HA 1 10 SER HB3 . . 2.840 2.540 2.329 3.031 0.191 3 0 "[ . 1 . 2]" 1
80 1 10 SER HB2 1 11 VAL H . . 3.490 2.951 2.290 3.860 0.370 3 0 "[ . 1 . 2]" 1
81 1 10 SER HB2 1 11 VAL QG . . 4.450 2.789 2.409 3.897 . 0 0 "[ . 1 . 2]" 1
82 1 10 SER HB3 1 11 VAL QG . . 4.930 3.043 2.375 4.587 . 0 0 "[ . 1 . 2]" 1
83 1 11 VAL H 1 11 VAL HA . . 3.100 2.975 2.932 3.018 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL H 1 12 SER H . . 2.540 2.477 2.125 2.654 0.114 2 0 "[ . 1 . 2]" 1
85 1 11 VAL HA 1 12 SER H . . 3.490 3.580 3.522 3.623 0.133 15 0 "[ . 1 . 2]" 1
86 1 11 VAL HB 1 12 SER H . . 2.190 2.170 1.979 2.322 0.132 18 0 "[ . 1 . 2]" 1
87 1 11 VAL QG 1 12 SER H . . 3.970 2.934 2.697 3.174 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL QG 1 12 SER HB2 . . 4.010 3.767 2.646 4.206 0.196 18 0 "[ . 1 . 2]" 1
89 1 11 VAL QG 1 12 SER HB3 . . 4.350 2.703 2.207 4.256 . 0 0 "[ . 1 . 2]" 1
90 1 12 SER H 1 12 SER HA . . 2.970 2.938 2.864 2.978 0.008 7 0 "[ . 1 . 2]" 1
91 1 12 SER H 1 13 GLY QA . . 3.660 4.739 4.360 4.920 1.260 16 20 [*****-*********+****] 1
92 1 12 SER HA 1 13 GLY H . . 2.280 2.273 2.100 2.417 0.137 11 0 "[ . 1 . 2]" 1
93 1 12 SER HB2 1 13 GLY H . . 3.360 2.790 2.158 4.032 0.672 6 3 "[ .+ 1 - *. 2]" 1
94 1 12 SER HB3 1 13 GLY H . . 3.970 3.686 2.744 3.958 . 0 0 "[ . 1 . 2]" 1
95 1 13 GLY H 1 13 GLY QA . . 2.360 2.259 2.177 2.388 0.028 8 0 "[ . 1 . 2]" 1
96 1 13 GLY QA 1 14 GLN H . . 2.490 2.213 2.107 2.287 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLN H 1 14 GLN QB . . 3.020 2.707 2.376 3.193 0.173 2 0 "[ . 1 . 2]" 1
98 1 14 GLN H 1 14 GLN HG2 . . 3.050 2.729 2.037 3.779 0.729 16 4 "[ . - 1 * .+ * 2]" 1
99 1 14 GLN H 1 14 GLN HG3 . . 3.020 2.882 2.257 3.348 0.328 19 0 "[ . 1 . 2]" 1
100 1 14 GLN QB 1 14 GLN HG2 . . 2.280 2.376 2.162 2.519 0.239 15 0 "[ . 1 . 2]" 1
101 1 14 GLN QB 1 14 GLN HG3 . . 2.410 2.383 2.243 2.567 0.157 17 0 "[ . 1 . 2]" 1
102 1 15 PHE H 1 15 PHE HB2 . . 2.710 2.667 2.490 2.845 0.135 18 0 "[ . 1 . 2]" 1
103 1 15 PHE H 1 15 PHE HB3 . . 3.710 3.776 3.676 3.863 0.153 18 0 "[ . 1 . 2]" 1
104 1 15 PHE H 1 15 PHE QD . . 3.400 3.483 3.085 3.879 0.479 13 0 "[ . 1 . 2]" 1
105 1 15 PHE HA 1 15 PHE HB2 . . 3.050 3.026 2.985 3.059 0.009 12 0 "[ . 1 . 2]" 1
106 1 15 PHE HA 1 15 PHE HB3 . . 2.620 2.431 2.337 2.510 . 0 0 "[ . 1 . 2]" 1
107 1 15 PHE HA 1 15 PHE QD . . 2.840 2.377 2.123 2.710 . 0 0 "[ . 1 . 2]" 1
108 1 15 PHE HA 1 16 ARG H . . 2.280 2.356 2.243 2.477 0.197 16 0 "[ . 1 . 2]" 1
109 1 15 PHE HB2 1 16 ARG H . . 3.710 3.498 3.344 3.707 . 0 0 "[ . 1 . 2]" 1
110 1 15 PHE HB3 1 16 ARG H . . 2.670 2.388 2.250 2.551 . 0 0 "[ . 1 . 2]" 1
111 1 15 PHE QD 1 16 ARG H . . 4.010 3.822 3.669 4.051 0.041 14 0 "[ . 1 . 2]" 1
112 1 16 ARG H 1 16 ARG QB . . 2.800 2.152 2.049 2.313 . 0 0 "[ . 1 . 2]" 1
113 1 16 ARG H 1 16 ARG QG . . 2.840 3.617 2.646 3.936 1.096 5 15 "[** +-***1***** ***]" 1
114 1 16 ARG HA 1 16 ARG QG . . 2.970 2.590 2.158 3.326 0.356 4 0 "[ . 1 . 2]" 1
115 1 16 ARG HA 1 17 ASP H . . 2.230 2.262 2.138 2.392 0.162 17 0 "[ . 1 . 2]" 1
116 1 16 ARG QB 1 16 ARG HD2 . . 2.840 2.346 2.174 3.333 0.493 5 0 "[ . 1 . 2]" 1
117 1 16 ARG QB 1 16 ARG HD3 . . 3.400 2.725 2.309 3.296 . 0 0 "[ . 1 . 2]" 1
118 1 16 ARG QB 1 16 ARG HE . . 3.050 3.248 1.994 3.967 0.917 13 12 "[** . **1**+*- ***]" 1
119 1 16 ARG QB 1 16 ARG QG . . 2.110 2.095 2.058 2.124 0.014 11 0 "[ . 1 . 2]" 1
120 1 16 ARG QB 1 17 ASP H . . 3.880 3.185 2.371 3.439 . 0 0 "[ . 1 . 2]" 1
121 1 16 ARG HD2 1 16 ARG HE . . 2.920 2.776 2.405 2.975 0.055 14 0 "[ . 1 . 2]" 1
122 1 16 ARG HD2 1 16 ARG QG . . 2.710 2.381 2.169 2.473 . 0 0 "[ . 1 . 2]" 1
123 1 16 ARG HD3 1 16 ARG QG . . 2.800 2.294 2.124 2.452 . 0 0 "[ . 1 . 2]" 1
124 1 16 ARG HE 1 16 ARG QG . . 2.710 2.369 2.090 3.021 0.311 17 0 "[ . 1 . 2]" 1
125 1 16 ARG QG 1 17 ASP H . . 2.540 2.321 2.023 2.833 0.293 4 0 "[ . 1 . 2]" 1
126 1 17 ASP H 1 17 ASP HA . . 2.710 2.887 2.784 2.956 0.246 14 0 "[ . 1 . 2]" 1
127 1 17 ASP H 1 17 ASP HB2 . . 2.490 2.427 2.228 2.716 0.226 14 0 "[ . 1 . 2]" 1
128 1 17 ASP H 1 17 ASP HB3 . . 3.360 3.577 3.506 3.696 0.336 14 0 "[ . 1 . 2]" 1
129 1 17 ASP HA 1 18 GLN H . . 2.190 2.128 1.987 2.274 0.084 7 0 "[ . 1 . 2]" 1
130 1 17 ASP HB2 1 18 GLN H . . 3.840 3.996 3.791 4.183 0.343 12 0 "[ . 1 . 2]" 1
131 1 17 ASP HB3 1 18 GLN H . . 2.840 2.916 2.616 3.172 0.332 12 0 "[ . 1 . 2]" 1
132 1 17 ASP HB3 1 19 LEU H . . 3.970 2.944 2.332 3.565 . 0 0 "[ . 1 . 2]" 1
133 1 18 GLN H 1 18 GLN HA . . 2.970 2.828 2.678 2.949 . 0 0 "[ . 1 . 2]" 1
134 1 18 GLN H 1 18 GLN HB2 . . 2.800 2.294 2.046 2.527 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLN H 1 18 GLN QG . . 3.630 3.582 2.302 3.975 0.345 15 0 "[ . 1 . 2]" 1
136 1 18 GLN H 1 19 LEU H . . 3.280 2.660 2.271 2.898 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLN HA 1 18 GLN HB2 . . 2.970 2.653 2.383 3.065 0.095 7 0 "[ . 1 . 2]" 1
138 1 18 GLN HA 1 18 GLN HB3 . . 3.050 2.941 2.517 3.083 0.033 8 0 "[ . 1 . 2]" 1
139 1 18 GLN HA 1 18 GLN QG . . 3.630 2.326 2.111 2.440 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLN HA 1 19 LEU H . . 2.360 3.376 3.196 3.572 1.212 13 20 [************+*-*****] 1
141 1 18 GLN HB2 1 19 LEU H . . 3.630 3.647 2.393 4.150 0.520 10 1 "[ . + . 2]" 1
142 1 18 GLN HB3 1 19 LEU H . . 3.190 3.060 2.481 3.848 0.658 14 1 "[ . 1 +. 2]" 1
143 1 18 GLN QG 1 19 LEU H . . 4.350 4.069 3.463 4.461 0.111 12 0 "[ . 1 . 2]" 1
stop_
save_