Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431258 | 2jq2 RC | 15267 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jq2
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 139
_Distance_constraint_stats_list.Viol_count 395
_Distance_constraint_stats_list.Viol_total 384.102
_Distance_constraint_stats_list.Viol_max 0.244
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0540
_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 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 2 PRO 2.017 0.103 16 0 "[ . 1 . ]"
1 3 LEU 2.617 0.103 16 0 "[ . 1 . ]"
1 4 LYS 4.179 0.244 1 0 "[ . 1 . ]"
1 5 GLN 3.974 0.139 17 0 "[ . 1 . ]"
1 6 TYR 3.553 0.244 1 0 "[ . 1 . ]"
1 7 TRP 9.508 0.165 1 0 "[ . 1 . ]"
1 8 TRP 3.238 0.140 7 0 "[ . 1 . ]"
1 9 ARG 3.695 0.148 10 0 "[ . 1 . ]"
1 10 PRO 4.171 0.140 7 0 "[ . 1 . ]"
1 11 SER 0.192 0.056 18 0 "[ . 1 . ]"
1 12 ILE 1.239 0.123 8 0 "[ . 1 . ]"
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 HIS H1 1 1 HIS HA 3.330 . 5.000 2.639 2.230 2.944 . 0 0 "[ . 1 . ]" 1
2 1 1 HIS H1 1 1 HIS HB2 4.010 . 5.000 3.028 2.238 4.164 . 0 0 "[ . 1 . ]" 1
3 1 1 HIS H1 1 1 HIS HB3 4.370 . 5.000 3.214 2.269 3.771 . 0 0 "[ . 1 . ]" 1
4 1 1 HIS HB2 1 1 HIS HD1 3.140 . 5.000 2.715 2.638 2.787 . 0 0 "[ . 1 . ]" 1
5 1 2 PRO HA 1 2 PRO HD3 3.970 . 5.000 3.262 2.947 3.764 . 0 0 "[ . 1 . ]" 1
6 1 2 PRO HA 1 2 PRO HG2 3.210 . 5.000 3.825 3.785 3.898 . 0 0 "[ . 1 . ]" 1
7 1 2 PRO HA 1 3 LEU H 2.640 . 3.400 2.631 2.232 3.019 . 0 0 "[ . 1 . ]" 1
8 1 2 PRO HA 1 3 LEU HG 4.380 . 5.000 4.327 3.955 5.049 0.049 13 0 "[ . 1 . ]" 1
9 1 2 PRO HA 1 4 LYS H 4.110 . 5.000 4.219 3.864 4.345 . 0 0 "[ . 1 . ]" 1
10 1 2 PRO HB2 1 2 PRO HD3 4.200 . 5.000 3.793 3.773 3.888 . 0 0 "[ . 1 . ]" 1
11 1 2 PRO HB2 1 2 PRO HG2 2.410 . 3.400 2.328 2.265 2.356 . 0 0 "[ . 1 . ]" 1
12 1 2 PRO HB2 1 3 LEU H 3.770 . 5.000 2.023 1.727 3.053 0.073 3 0 "[ . 1 . ]" 1
13 1 2 PRO HB2 1 4 LYS H 4.630 . 5.000 2.664 2.074 3.627 . 0 0 "[ . 1 . ]" 1
14 1 2 PRO HB3 1 2 PRO HD3 3.230 . 5.000 2.804 2.733 3.162 . 0 0 "[ . 1 . ]" 1
15 1 2 PRO HD3 1 3 LEU H 4.310 . 5.000 5.081 5.054 5.103 0.103 16 0 "[ . 1 . ]" 1
16 1 2 PRO HG2 1 3 LEU H 3.700 . 5.000 3.971 2.967 5.002 0.002 13 0 "[ . 1 . ]" 1
17 1 2 PRO HG2 1 4 LYS H 4.160 . 5.000 2.948 2.360 4.551 . 0 0 "[ . 1 . ]" 1
18 1 2 PRO HG2 1 4 LYS QG 4.000 . 5.000 2.994 1.856 4.628 . 0 0 "[ . 1 . ]" 1
19 1 2 PRO HG2 1 5 GLN H 4.350 . 5.000 4.997 4.778 5.043 0.043 1 0 "[ . 1 . ]" 1
20 1 2 PRO HG3 1 3 LEU H 4.580 . 5.000 4.542 4.003 5.060 0.060 17 0 "[ . 1 . ]" 1
21 1 3 LEU H 1 3 LEU HB2 3.400 . 5.000 3.644 3.626 3.678 . 0 0 "[ . 1 . ]" 1
22 1 3 LEU H 1 3 LEU HB3 3.040 . 3.400 2.909 2.872 2.973 . 0 0 "[ . 1 . ]" 1
23 1 3 LEU H 1 3 LEU QD 4.220 . 5.000 2.615 1.779 2.747 0.021 13 0 "[ . 1 . ]" 1
24 1 3 LEU H 1 3 LEU HG 3.080 . 5.000 2.015 1.942 2.857 . 0 0 "[ . 1 . ]" 1
25 1 3 LEU H 1 4 LYS H 3.100 . 5.000 2.818 2.386 3.004 . 0 0 "[ . 1 . ]" 1
26 1 3 LEU H 1 5 GLN H 4.500 . 5.000 4.939 4.589 5.035 0.035 12 0 "[ . 1 . ]" 1
27 1 3 LEU HA 1 3 LEU HB3 2.810 . 3.400 2.374 2.350 2.400 . 0 0 "[ . 1 . ]" 1
28 1 3 LEU HA 1 3 LEU QD . . 3.400 3.328 3.316 3.334 . 0 0 "[ . 1 . ]" 1
29 1 3 LEU HA 1 3 LEU HG 3.310 . 5.000 3.733 3.721 3.744 . 0 0 "[ . 1 . ]" 1
30 1 3 LEU HA 1 4 LYS H . . 3.400 3.005 2.850 3.324 . 0 0 "[ . 1 . ]" 1
31 1 3 LEU HA 1 5 GLN H 3.970 . 5.000 3.271 3.125 3.610 . 0 0 "[ . 1 . ]" 1
32 1 3 LEU HB2 1 6 TYR QD 4.080 . 5.000 2.686 2.073 3.558 . 0 0 "[ . 1 . ]" 1
33 1 3 LEU HB2 1 7 TRP H 4.270 . 5.000 5.005 4.795 5.052 0.052 11 0 "[ . 1 . ]" 1
34 1 3 LEU HB3 1 6 TYR QD 4.110 . 5.000 3.439 2.752 4.155 . 0 0 "[ . 1 . ]" 1
35 1 3 LEU HB3 1 6 TYR QE 4.570 . 5.000 3.644 2.682 4.598 . 0 0 "[ . 1 . ]" 1
36 1 3 LEU QD 1 4 LYS H 4.520 . 5.000 3.160 2.846 3.312 . 0 0 "[ . 1 . ]" 1
37 1 3 LEU QD 1 5 GLN H 5.000 . 5.000 4.363 4.160 5.023 0.023 13 0 "[ . 1 . ]" 1
38 1 3 LEU QD 1 6 TYR QD 3.830 . 5.000 3.511 3.165 4.431 . 0 0 "[ . 1 . ]" 1
39 1 3 LEU QD 1 6 TYR QE 3.860 . 5.000 4.350 3.528 4.994 . 0 0 "[ . 1 . ]" 1
40 1 3 LEU HG 1 6 TYR QD 4.330 . 5.000 4.965 4.612 5.039 0.039 17 0 "[ . 1 . ]" 1
41 1 4 LYS H 1 4 LYS HB2 2.780 . 3.400 2.785 2.495 3.501 0.101 1 0 "[ . 1 . ]" 1
42 1 4 LYS H 1 4 LYS HB3 3.380 . 5.000 3.038 2.212 3.611 . 0 0 "[ . 1 . ]" 1
43 1 4 LYS H 1 4 LYS QG 3.420 . 5.000 2.551 1.988 3.977 . 0 0 "[ . 1 . ]" 1
44 1 4 LYS H 1 5 GLN H 2.970 . 3.400 2.646 2.388 2.773 . 0 0 "[ . 1 . ]" 1
45 1 4 LYS H 1 6 TYR H 4.360 . 5.000 4.061 3.813 4.187 . 0 0 "[ . 1 . ]" 1
46 1 4 LYS HA 1 4 LYS HB2 2.980 . 3.400 2.738 2.342 3.018 . 0 0 "[ . 1 . ]" 1
47 1 4 LYS HA 1 4 LYS QG 3.680 . 5.000 2.850 2.431 3.338 . 0 0 "[ . 1 . ]" 1
48 1 4 LYS HA 1 5 GLN H 3.220 . 3.400 3.440 3.417 3.469 0.069 13 0 "[ . 1 . ]" 1
49 1 4 LYS HA 1 6 TYR H 3.890 . 5.000 3.588 3.446 3.867 . 0 0 "[ . 1 . ]" 1
50 1 4 LYS HA 1 6 TYR QD 4.900 . 5.000 4.845 4.631 5.170 0.170 18 0 "[ . 1 . ]" 1
51 1 4 LYS HA 1 7 TRP H 4.170 . 5.000 3.971 3.671 4.132 . 0 0 "[ . 1 . ]" 1
52 1 4 LYS HA 1 7 TRP QB 4.260 . 5.000 4.600 3.927 5.018 0.018 5 0 "[ . 1 . ]" 1
53 1 4 LYS HA 1 7 TRP HD1 4.220 . 5.000 2.288 1.932 2.592 . 0 0 "[ . 1 . ]" 1
54 1 4 LYS HB2 1 4 LYS QE 4.270 . 5.000 3.105 1.935 4.472 . 0 0 "[ . 1 . ]" 1
55 1 4 LYS HB3 1 4 LYS QE 3.550 . 3.900 3.053 1.982 3.956 0.056 7 0 "[ . 1 . ]" 1
56 1 4 LYS HB3 1 4 LYS QG 2.530 . 3.400 2.323 2.156 2.409 . 0 0 "[ . 1 . ]" 1
57 1 4 LYS HB3 1 5 GLN H 3.920 . 5.000 3.709 3.015 3.971 . 0 0 "[ . 1 . ]" 1
58 1 4 LYS HB3 1 6 TYR H 4.390 . 5.000 5.099 5.007 5.244 0.244 1 0 "[ . 1 . ]" 1
59 1 4 LYS QG 1 5 GLN H 3.930 . 5.000 3.622 2.227 4.113 . 0 0 "[ . 1 . ]" 1
60 1 4 LYS QG 1 5 GLN QG 4.110 . 5.000 4.802 3.245 5.091 0.091 3 0 "[ . 1 . ]" 1
61 1 5 GLN H 1 5 GLN QB 2.770 . 3.400 2.656 2.292 2.760 . 0 0 "[ . 1 . ]" 1
62 1 5 GLN H 1 5 GLN QG 3.240 . 5.000 2.242 1.846 4.027 . 0 0 "[ . 1 . ]" 1
63 1 5 GLN H 1 6 TYR H 3.010 . 3.400 2.504 2.410 2.574 . 0 0 "[ . 1 . ]" 1
64 1 5 GLN H 1 6 TYR QD 3.960 . 5.000 2.797 2.654 3.123 . 0 0 "[ . 1 . ]" 1
65 1 5 GLN H 1 7 TRP H 3.990 . 5.000 4.397 4.290 4.478 . 0 0 "[ . 1 . ]" 1
66 1 5 GLN HA 1 5 GLN QG 3.780 . 5.000 3.209 2.411 3.339 . 0 0 "[ . 1 . ]" 1
67 1 5 GLN HA 1 6 TYR H 3.320 . 3.400 3.240 3.173 3.324 . 0 0 "[ . 1 . ]" 1
68 1 5 GLN HA 1 6 TYR QD 4.110 . 5.000 4.506 4.088 5.098 0.098 15 0 "[ . 1 . ]" 1
69 1 5 GLN HA 1 7 TRP H 3.900 . 5.000 3.835 3.614 3.922 . 0 0 "[ . 1 . ]" 1
70 1 5 GLN HA 1 7 TRP HD1 4.280 . 5.000 4.363 3.963 4.723 . 0 0 "[ . 1 . ]" 1
71 1 5 GLN QB 1 5 GLN QG 2.380 . 3.400 2.080 1.995 2.086 . 0 0 "[ . 1 . ]" 1
72 1 5 GLN QB 1 6 TYR H 3.380 . 5.000 3.806 3.304 3.926 . 0 0 "[ . 1 . ]" 1
73 1 5 GLN QB 1 7 TRP H 4.590 . 5.000 5.065 4.904 5.139 0.139 17 0 "[ . 1 . ]" 1
74 1 5 GLN QG 1 6 TYR H 3.860 . 5.000 3.333 3.001 4.285 . 0 0 "[ . 1 . ]" 1
75 1 5 GLN QG 1 6 TYR QD 4.330 . 5.000 2.694 1.944 4.725 . 0 0 "[ . 1 . ]" 1
76 1 5 GLN QG 1 6 TYR QE 4.130 . 5.000 2.998 2.248 5.044 0.044 3 0 "[ . 1 . ]" 1
77 1 5 GLN QG 1 7 TRP H 4.700 . 5.000 4.989 4.838 5.096 0.096 1 0 "[ . 1 . ]" 1
78 1 6 TYR H 1 6 TYR QB 3.110 . 3.400 2.388 2.335 2.481 . 0 0 "[ . 1 . ]" 1
79 1 6 TYR H 1 6 TYR QD 3.260 . 5.000 2.167 1.985 2.438 . 0 0 "[ . 1 . ]" 1
80 1 6 TYR H 1 7 TRP H 3.030 . 5.000 2.301 2.214 2.479 . 0 0 "[ . 1 . ]" 1
81 1 6 TYR H 1 7 TRP QB 4.900 . 5.000 4.531 4.319 4.710 . 0 0 "[ . 1 . ]" 1
82 1 6 TYR HA 1 6 TYR QD . . 3.400 2.982 2.508 3.110 . 0 0 "[ . 1 . ]" 1
83 1 6 TYR HA 1 7 TRP H . . 3.400 3.424 3.350 3.450 0.050 5 0 "[ . 1 . ]" 1
84 1 6 TYR HA 1 7 TRP HD1 3.820 . 5.000 4.990 4.765 5.066 0.066 9 0 "[ . 1 . ]" 1
85 1 6 TYR QB 1 6 TYR QD 2.960 . 3.400 2.164 2.130 2.307 . 0 0 "[ . 1 . ]" 1
86 1 6 TYR QB 1 7 TRP H 3.800 . 5.000 3.028 2.920 3.282 . 0 0 "[ . 1 . ]" 1
87 1 6 TYR QB 1 7 TRP HD1 3.720 . 5.000 3.545 3.290 4.017 . 0 0 "[ . 1 . ]" 1
88 1 6 TYR QD 1 7 TRP H 3.570 . 5.000 4.237 4.099 4.525 . 0 0 "[ . 1 . ]" 1
89 1 7 TRP H 1 7 TRP QB 2.960 . 3.400 2.608 2.396 2.824 . 0 0 "[ . 1 . ]" 1
90 1 7 TRP H 1 7 TRP HE3 3.680 . 5.000 5.104 5.065 5.165 0.165 1 0 "[ . 1 . ]" 1
91 1 7 TRP H 1 8 TRP H 2.920 . 3.400 3.445 3.409 3.485 0.085 2 0 "[ . 1 . ]" 1
92 1 7 TRP HA 1 7 TRP HD1 3.960 . 4.020 4.060 3.876 4.151 0.131 5 0 "[ . 1 . ]" 1
93 1 7 TRP HA 1 7 TRP HE3 2.770 . 4.370 3.825 3.367 4.450 0.080 9 0 "[ . 1 . ]" 1
94 1 7 TRP HA 1 8 TRP HB2 2.780 . 5.000 5.026 4.926 5.093 0.093 6 0 "[ . 1 . ]" 1
95 1 7 TRP HA 1 9 ARG H 2.620 . 3.400 3.446 3.171 3.533 0.133 7 0 "[ . 1 . ]" 1
96 1 7 TRP HA 1 11 SER H 4.370 . 5.000 4.317 2.868 5.056 0.056 18 0 "[ . 1 . ]" 1
97 1 7 TRP QB 1 7 TRP HD1 2.770 . 3.400 2.748 2.722 2.818 . 0 0 "[ . 1 . ]" 1
98 1 7 TRP QB 1 7 TRP HE3 3.180 . 3.400 2.304 2.226 2.337 . 0 0 "[ . 1 . ]" 1
99 1 7 TRP QB 1 8 TRP H 2.990 . 3.990 3.674 1.789 3.978 0.011 7 0 "[ . 1 . ]" 1
100 1 8 TRP H 1 8 TRP HB2 3.180 . 5.000 2.688 2.475 3.380 . 0 0 "[ . 1 . ]" 1
101 1 8 TRP H 1 8 TRP HB3 3.410 . 5.000 2.632 2.461 3.681 . 0 0 "[ . 1 . ]" 1
102 1 8 TRP H 1 9 ARG QG 4.450 . 5.000 4.664 4.317 5.129 0.129 7 0 "[ . 1 . ]" 1
103 1 8 TRP HA 1 8 TRP HD1 3.150 . 5.000 2.666 2.456 4.740 . 0 0 "[ . 1 . ]" 1
104 1 8 TRP HB2 1 8 TRP HD1 3.380 . 5.000 2.990 2.942 3.092 . 0 0 "[ . 1 . ]" 1
105 1 8 TRP HB2 1 8 TRP HE3 3.340 . 5.000 3.796 3.713 3.848 . 0 0 "[ . 1 . ]" 1
106 1 8 TRP HB2 1 9 ARG H 3.630 . 5.000 3.960 3.680 4.597 . 0 0 "[ . 1 . ]" 1
107 1 8 TRP HB2 1 10 PRO HD2 4.400 . 5.000 4.790 3.785 5.113 0.113 5 0 "[ . 1 . ]" 1
108 1 8 TRP HB2 1 10 PRO HD3 4.570 . 5.000 4.828 4.207 5.140 0.140 7 0 "[ . 1 . ]" 1
109 1 8 TRP HB3 1 8 TRP HD1 3.630 . 5.000 3.832 2.751 3.900 . 0 0 "[ . 1 . ]" 1
110 1 8 TRP HB3 1 8 TRP HE3 3.550 . 5.000 2.492 2.376 4.075 . 0 0 "[ . 1 . ]" 1
111 1 8 TRP HB3 1 9 ARG H 4.050 . 5.000 2.827 2.374 4.264 . 0 0 "[ . 1 . ]" 1
112 1 8 TRP HD1 1 9 ARG QG 4.900 . 5.000 4.731 4.296 5.104 0.104 4 0 "[ . 1 . ]" 1
113 1 8 TRP HH2 1 9 ARG HG3 4.090 . 5.000 4.800 4.193 5.038 0.038 7 0 "[ . 1 . ]" 1
114 1 8 TRP HZ3 1 9 ARG QD 4.060 . 5.000 3.950 2.619 5.012 0.012 5 0 "[ . 1 . ]" 1
115 1 9 ARG H 1 9 ARG QB 3.590 . 5.000 2.913 2.526 3.508 . 0 0 "[ . 1 . ]" 1
116 1 9 ARG H 1 9 ARG HG2 3.390 . 3.400 3.220 2.486 3.548 0.148 10 0 "[ . 1 . ]" 1
117 1 9 ARG H 1 9 ARG HG3 3.790 . 5.000 4.188 2.858 4.785 . 0 0 "[ . 1 . ]" 1
118 1 9 ARG H 1 10 PRO QD 4.090 . 5.000 1.758 1.675 1.801 0.125 7 0 "[ . 1 . ]" 1
119 1 9 ARG HA 1 9 ARG HG2 4.000 . 5.000 3.138 2.527 3.730 . 0 0 "[ . 1 . ]" 1
120 1 9 ARG HA 1 9 ARG HG3 3.510 . 5.000 3.735 3.386 3.810 . 0 0 "[ . 1 . ]" 1
121 1 9 ARG HA 1 10 PRO QD . . 3.400 3.238 2.949 3.482 0.082 1 0 "[ . 1 . ]" 1
122 1 9 ARG HA 1 12 ILE H 4.900 . 5.000 4.230 3.937 4.685 . 0 0 "[ . 1 . ]" 1
123 1 9 ARG QB 1 9 ARG HE 4.210 . 5.000 3.076 2.041 4.451 . 0 0 "[ . 1 . ]" 1
124 1 9 ARG QB 1 9 ARG HG2 2.340 . 3.400 2.364 2.333 2.411 . 0 0 "[ . 1 . ]" 1
125 1 9 ARG QB 1 10 PRO QB 4.120 . 5.000 4.763 3.967 5.063 0.063 5 0 "[ . 1 . ]" 1
126 1 9 ARG QB 1 10 PRO QD 3.880 . 5.000 3.194 1.794 3.604 0.006 14 0 "[ . 1 . ]" 1
127 1 9 ARG HE 1 9 ARG HG2 3.740 . 5.000 3.133 2.439 4.041 . 0 0 "[ . 1 . ]" 1
128 1 9 ARG HE 1 9 ARG HG3 3.740 . 5.000 3.282 2.528 4.029 . 0 0 "[ . 1 . ]" 1
129 1 9 ARG QG 1 10 PRO QD 4.540 . 5.000 3.476 1.727 4.223 0.073 12 0 "[ . 1 . ]" 1
130 1 9 ARG HG2 1 10 PRO QD 3.790 . 5.000 3.716 1.983 4.570 . 0 0 "[ . 1 . ]" 1
131 1 10 PRO HA 1 12 ILE H . . 3.400 3.453 3.410 3.523 0.123 8 0 "[ . 1 . ]" 1
132 1 10 PRO QB 1 10 PRO HG2 2.370 . 3.400 2.248 2.177 2.276 . 0 0 "[ . 1 . ]" 1
133 1 10 PRO QB 1 11 SER H 3.900 . 5.000 3.322 2.607 3.527 . 0 0 "[ . 1 . ]" 1
134 1 10 PRO QD 1 11 SER H 4.310 . 5.000 2.415 1.857 2.804 . 0 0 "[ . 1 . ]" 1
135 1 10 PRO HG2 1 11 SER H 3.780 . 5.000 2.533 2.206 2.801 . 0 0 "[ . 1 . ]" 1
136 1 10 PRO HG2 1 12 ILE H 3.910 . 5.000 4.956 4.717 5.068 0.068 7 0 "[ . 1 . ]" 1
137 1 11 SER H 1 11 SER QB 3.410 . 5.000 2.436 2.252 2.689 . 0 0 "[ . 1 . ]" 1
138 1 11 SER H 1 12 ILE H 3.540 . 5.000 2.744 2.547 3.079 . 0 0 "[ . 1 . ]" 1
139 1 11 SER QB 1 12 ILE H 4.030 . 5.000 3.606 3.161 4.023 . 0 0 "[ . 1 . ]" 1
stop_
save_