NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432613 |
2jst   |
15384 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jst
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 710
_Distance_constraint_stats_list.Viol_count 1574
_Distance_constraint_stats_list.Viol_total 1360.375
_Distance_constraint_stats_list.Viol_max 0.501
_Distance_constraint_stats_list.Viol_rms 0.0224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 2 LYS 0.261 0.118 12 0 "[ . 1 . 2]"
1 3 LYS 1.488 0.501 17 1 "[ . 1 . + 2]"
1 4 LEU 1.636 0.501 17 1 "[ . 1 . + 2]"
1 5 ARG 0.730 0.118 14 0 "[ . 1 . 2]"
1 6 GLU 1.809 0.185 11 0 "[ . 1 . 2]"
1 7 GLU 0.088 0.065 14 0 "[ . 1 . 2]"
1 8 ALA 0.104 0.041 6 0 "[ . 1 . 2]"
1 9 ALA 0.414 0.121 7 0 "[ . 1 . 2]"
1 10 LYS 0.944 0.227 7 0 "[ . 1 . 2]"
1 11 LEU 0.648 0.168 7 0 "[ . 1 . 2]"
1 12 PHE 2.493 0.117 18 0 "[ . 1 . 2]"
1 13 GLU 1.532 0.227 7 0 "[ . 1 . 2]"
1 14 GLU 0.269 0.050 18 0 "[ . 1 . 2]"
1 15 TRP 1.046 0.153 18 0 "[ . 1 . 2]"
1 16 LYS 0.282 0.039 17 0 "[ . 1 . 2]"
1 17 LYS 0.270 0.039 17 0 "[ . 1 . 2]"
1 18 LEU 0.332 0.050 18 0 "[ . 1 . 2]"
1 19 ALA 0.006 0.006 14 0 "[ . 1 . 2]"
1 20 GLU 3.088 0.120 14 0 "[ . 1 . 2]"
1 21 GLU 2.487 0.120 14 0 "[ . 1 . 2]"
1 22 ALA 2.392 0.169 13 0 "[ . 1 . 2]"
1 23 ALA 3.189 0.125 18 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 3.221 0.163 14 0 "[ . 1 . 2]"
1 26 LEU 0.783 0.069 5 0 "[ . 1 . 2]"
1 27 GLU 4.857 0.189 15 0 "[ . 1 . 2]"
1 28 GLY 2.509 0.163 14 0 "[ . 1 . 2]"
1 29 GLY 2.919 0.189 15 0 "[ . 1 . 2]"
1 30 GLY 0.099 0.025 11 0 "[ . 1 . 2]"
1 31 GLY 0.037 0.025 11 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.354 0.134 11 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.224 0.091 16 0 "[ . 1 . 2]"
1 36 GLU 0.403 0.100 9 0 "[ . 1 . 2]"
1 37 LEU 0.879 0.134 11 0 "[ . 1 . 2]"
1 38 MET 0.187 0.041 18 0 "[ . 1 . 2]"
1 39 LYS 0.090 0.020 11 0 "[ . 1 . 2]"
1 40 LEU 0.327 0.160 12 0 "[ . 1 . 2]"
1 41 CYS 0.198 0.071 18 0 "[ . 1 . 2]"
1 42 GLU 0.016 0.010 16 0 "[ . 1 . 2]"
1 43 GLU 0.641 0.078 16 0 "[ . 1 . 2]"
1 44 ALA 1.162 0.159 18 0 "[ . 1 . 2]"
1 45 ALA 0.232 0.052 18 0 "[ . 1 . 2]"
1 46 LYS 0.699 0.082 18 0 "[ . 1 . 2]"
1 47 LYS 0.227 0.035 7 0 "[ . 1 . 2]"
1 48 ALA 0.013 0.006 16 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.175 0.082 18 0 "[ . 1 . 2]"
1 51 LEU 0.070 0.014 20 0 "[ . 1 . 2]"
1 52 PHE 0.288 0.049 18 0 "[ . 1 . 2]"
1 53 LYS 0.919 0.307 15 0 "[ . 1 . 2]"
1 54 LEU 0.046 0.016 10 0 "[ . 1 . 2]"
1 55 ALA 0.650 0.214 12 0 "[ . 1 . 2]"
1 56 GLU 5.822 0.227 8 0 "[ . 1 . 2]"
1 57 GLU 2.526 0.227 8 0 "[ . 1 . 2]"
1 58 ARG 1.437 0.224 14 0 "[ . 1 . 2]"
1 59 LEU 2.695 0.255 20 0 "[ . 1 . 2]"
1 60 LYS 3.533 0.255 20 0 "[ . 1 . 2]"
1 61 LYS 0.231 0.100 16 0 "[ . 1 . 2]"
1 62 LEU 0.487 0.157 20 0 "[ . 1 . 2]"
2 2 LYS 0.162 0.048 12 0 "[ . 1 . 2]"
2 3 LYS 1.424 0.501 17 1 "[ . 1 . + 2]"
2 4 LEU 1.667 0.501 17 1 "[ . 1 . + 2]"
2 5 ARG 0.836 0.118 14 0 "[ . 1 . 2]"
2 6 GLU 2.229 0.191 11 0 "[ . 1 . 2]"
2 7 GLU 0.110 0.056 14 0 "[ . 1 . 2]"
2 8 ALA 0.136 0.039 6 0 "[ . 1 . 2]"
2 9 ALA 0.505 0.118 7 0 "[ . 1 . 2]"
2 10 LYS 1.069 0.196 7 0 "[ . 1 . 2]"
2 11 LEU 0.663 0.187 7 0 "[ . 1 . 2]"
2 12 PHE 2.669 0.169 13 0 "[ . 1 . 2]"
2 13 GLU 1.553 0.196 7 0 "[ . 1 . 2]"
2 14 GLU 0.281 0.046 18 0 "[ . 1 . 2]"
2 15 TRP 0.948 0.159 18 0 "[ . 1 . 2]"
2 16 LYS 0.518 0.070 18 0 "[ . 1 . 2]"
2 17 LYS 0.397 0.072 14 0 "[ . 1 . 2]"
2 18 LEU 0.358 0.054 14 0 "[ . 1 . 2]"
2 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 GLU 3.245 0.142 14 0 "[ . 1 . 2]"
2 21 GLU 2.646 0.142 14 0 "[ . 1 . 2]"
2 22 ALA 2.368 0.117 18 0 "[ . 1 . 2]"
2 23 ALA 3.128 0.114 1 0 "[ . 1 . 2]"
2 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LEU 3.264 0.190 18 0 "[ . 1 . 2]"
2 26 LEU 0.814 0.067 5 0 "[ . 1 . 2]"
2 27 GLU 4.880 0.190 15 0 "[ . 1 . 2]"
2 28 GLY 2.604 0.190 18 0 "[ . 1 . 2]"
2 29 GLY 2.938 0.190 15 0 "[ . 1 . 2]"
2 30 GLY 0.203 0.058 18 0 "[ . 1 . 2]"
2 31 GLY 0.065 0.058 18 0 "[ . 1 . 2]"
2 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 GLY 0.278 0.083 18 0 "[ . 1 . 2]"
2 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 GLY 0.275 0.113 18 0 "[ . 1 . 2]"
2 36 GLU 0.370 0.099 9 0 "[ . 1 . 2]"
2 37 LEU 0.866 0.113 18 0 "[ . 1 . 2]"
2 38 MET 0.069 0.022 12 0 "[ . 1 . 2]"
2 39 LYS 0.241 0.106 11 0 "[ . 1 . 2]"
2 40 LEU 0.254 0.160 12 0 "[ . 1 . 2]"
2 41 CYS 0.152 0.047 3 0 "[ . 1 . 2]"
2 42 GLU 0.020 0.009 14 0 "[ . 1 . 2]"
2 43 GLU 0.604 0.113 14 0 "[ . 1 . 2]"
2 44 ALA 1.292 0.153 18 0 "[ . 1 . 2]"
2 45 ALA 0.241 0.037 18 0 "[ . 1 . 2]"
2 46 LYS 0.546 0.113 14 0 "[ . 1 . 2]"
2 47 LYS 0.253 0.037 17 0 "[ . 1 . 2]"
2 48 ALA 0.040 0.021 16 0 "[ . 1 . 2]"
2 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 GLU 0.083 0.017 18 0 "[ . 1 . 2]"
2 51 LEU 0.077 0.022 11 0 "[ . 1 . 2]"
2 52 PHE 0.294 0.048 7 0 "[ . 1 . 2]"
2 53 LYS 0.773 0.214 12 0 "[ . 1 . 2]"
2 54 LEU 0.080 0.027 9 0 "[ . 1 . 2]"
2 55 ALA 0.631 0.214 12 0 "[ . 1 . 2]"
2 56 GLU 6.123 0.261 19 0 "[ . 1 . 2]"
2 57 GLU 2.427 0.235 14 0 "[ . 1 . 2]"
2 58 ARG 1.506 0.235 14 0 "[ . 1 . 2]"
2 59 LEU 3.216 0.261 19 0 "[ . 1 . 2]"
2 60 LYS 3.596 0.253 20 0 "[ . 1 . 2]"
2 61 LYS 0.182 0.100 16 0 "[ . 1 . 2]"
2 62 LEU 0.522 0.150 20 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 12 PHE QR 1 52 PHE QB . . 4.000 3.872 3.225 4.049 0.049 18 0 "[ . 1 . 2]" 1
2 2 12 PHE QR 2 52 PHE QB . . 4.000 3.890 3.327 4.048 0.048 7 0 "[ . 1 . 2]" 1
3 1 41 CYS QB 2 15 TRP HH2 . . 5.000 3.692 1.985 5.071 0.071 18 0 "[ . 1 . 2]" 1
4 1 15 TRP HH2 2 41 CYS QB . . 5.000 3.707 1.991 5.047 0.047 3 0 "[ . 1 . 2]" 1
5 1 22 ALA MB 2 11 LEU QD . . 3.000 2.988 2.662 3.027 0.027 11 0 "[ . 1 . 2]" 1
6 1 11 LEU QD 2 22 ALA MB . . 3.000 2.992 2.717 3.027 0.027 14 0 "[ . 1 . 2]" 1
7 1 12 PHE QR 2 22 ALA MB . . 4.000 4.046 3.638 4.117 0.117 18 0 "[ . 1 . 2]" 1
8 1 22 ALA MB 2 12 PHE QR . . 4.000 4.060 3.810 4.169 0.169 13 0 "[ . 1 . 2]" 1
9 1 37 LEU QD 2 58 ARG QD . . 3.600 3.292 2.530 3.618 0.018 11 0 "[ . 1 . 2]" 1
10 1 58 ARG QD 2 37 LEU QD . . 3.600 3.378 2.372 3.618 0.018 11 0 "[ . 1 . 2]" 1
11 1 15 TRP HE3 2 44 ALA H . . 5.500 5.546 5.490 5.653 0.153 18 0 "[ . 1 . 2]" 1
12 1 44 ALA H 2 15 TRP HE3 . . 5.500 5.540 5.498 5.659 0.159 18 0 "[ . 1 . 2]" 1
13 1 5 ARG QD 1 59 LEU QD . . 3.380 3.262 2.168 3.405 0.025 11 0 "[ . 1 . 2]" 1
14 1 5 ARG QD 1 59 LEU HA . . 4.350 2.982 2.395 3.548 . 0 0 "[ . 1 . 2]" 1
15 1 36 GLU QB 1 36 GLU QG . . 2.400 2.072 1.998 2.091 . 0 0 "[ . 1 . 2]" 1
16 1 42 GLU QB 1 43 GLU H . . 4.000 2.928 2.851 2.997 . 0 0 "[ . 1 . 2]" 1
17 1 50 GLU H 1 50 GLU QB . . 3.000 2.166 2.044 2.280 . 0 0 "[ . 1 . 2]" 1
18 1 57 GLU H 1 57 GLU QB . . 3.310 2.271 2.226 2.493 . 0 0 "[ . 1 . 2]" 1
19 1 14 GLU HA 1 14 GLU QB . . 2.730 2.304 2.270 2.340 . 0 0 "[ . 1 . 2]" 1
20 1 43 GLU H 1 43 GLU QB . . 3.160 2.490 2.355 2.576 . 0 0 "[ . 1 . 2]" 1
21 1 47 LYS H 1 47 LYS QB . . 2.940 2.242 2.054 2.471 . 0 0 "[ . 1 . 2]" 1
22 1 58 ARG HA 1 58 ARG QG . . 3.430 2.885 2.314 3.414 . 0 0 "[ . 1 . 2]" 1
23 1 24 LYS QB 1 24 LYS QD . . 2.680 2.200 2.006 2.376 . 0 0 "[ . 1 . 2]" 1
24 1 39 LYS H 1 39 LYS HB3 . . 3.770 2.700 2.357 3.132 . 0 0 "[ . 1 . 2]" 1
25 1 5 ARG QB 1 5 ARG QD . . 3.430 2.061 1.929 2.275 . 0 0 "[ . 1 . 2]" 1
26 1 5 ARG H 1 5 ARG QB . . 3.410 2.475 2.130 2.658 . 0 0 "[ . 1 . 2]" 1
27 1 39 LYS H 1 40 LEU HB2 . . 4.850 4.583 4.348 4.817 . 0 0 "[ . 1 . 2]" 1
28 1 40 LEU H 1 40 LEU HB2 . . 3.890 2.155 2.043 2.298 . 0 0 "[ . 1 . 2]" 1
29 1 54 LEU H 1 54 LEU QB . . 3.850 2.128 2.023 2.525 . 0 0 "[ . 1 . 2]" 1
30 1 61 LYS H 1 61 LYS QB . . 3.820 2.763 2.280 3.430 . 0 0 "[ . 1 . 2]" 1
31 1 51 LEU H 1 51 LEU HG . . 4.220 2.393 1.949 3.204 . 0 0 "[ . 1 . 2]" 1
32 1 18 LEU QB 1 19 ALA H . . 3.840 2.770 2.507 2.932 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLU HA 1 59 LEU QB . . 2.930 2.909 2.233 3.063 0.133 11 0 "[ . 1 . 2]" 1
34 1 18 LEU QB 1 19 ALA HA . . 5.050 3.908 3.835 3.954 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU QB 1 4 LEU QD . . 2.880 1.966 1.758 2.091 . 0 0 "[ . 1 . 2]" 1
36 1 62 LEU H 1 62 LEU QB . . 3.860 2.750 2.025 3.376 . 0 0 "[ . 1 . 2]" 1
37 1 47 LYS H 1 47 LYS QG . . 3.990 2.938 2.095 3.570 . 0 0 "[ . 1 . 2]" 1
38 1 25 LEU HB3 1 25 LEU QD . . 2.970 2.130 2.107 2.143 . 0 0 "[ . 1 . 2]" 1
39 1 45 ALA H 1 45 ALA MB . . 2.910 2.058 2.049 2.078 . 0 0 "[ . 1 . 2]" 1
40 1 23 ALA MB 1 24 LYS H . . 3.850 2.460 2.409 2.610 . 0 0 "[ . 1 . 2]" 1
41 1 21 GLU HA 1 24 LYS QG . . 3.350 2.076 1.958 2.550 . 0 0 "[ . 1 . 2]" 1
42 1 24 LYS QE 1 24 LYS QG . . 2.920 2.167 1.967 2.373 . 0 0 "[ . 1 . 2]" 1
43 1 48 ALA H 1 48 ALA MB . . 3.410 2.148 2.026 2.241 . 0 0 "[ . 1 . 2]" 1
44 1 4 LEU H 1 4 LEU QD . . 3.700 2.411 1.782 3.638 . 0 0 "[ . 1 . 2]" 1
45 1 14 GLU HA 1 17 LYS H . . 3.690 3.260 3.116 3.405 . 0 0 "[ . 1 . 2]" 1
46 1 14 GLU HA 1 18 LEU H . . 3.910 3.537 3.161 3.845 . 0 0 "[ . 1 . 2]" 1
47 1 47 LYS H 1 47 LYS HA . . 2.860 2.823 2.771 2.859 . 0 0 "[ . 1 . 2]" 1
48 1 62 LEU HA 1 62 LEU QB . . 2.660 2.421 2.165 2.535 . 0 0 "[ . 1 . 2]" 1
49 1 11 LEU HA 1 11 LEU QB . . 2.520 2.322 2.162 2.375 . 0 0 "[ . 1 . 2]" 1
50 1 10 LYS HA 1 10 LYS QB . . 2.400 2.304 2.292 2.313 . 0 0 "[ . 1 . 2]" 1
51 1 3 LYS HA 1 3 LYS QG . . 3.030 2.204 2.010 2.507 . 0 0 "[ . 1 . 2]" 1
52 1 3 LYS HA 1 3 LYS QB . . 2.780 2.465 2.303 2.536 . 0 0 "[ . 1 . 2]" 1
53 1 57 GLU HA 1 57 GLU QB . . 2.410 2.373 2.310 2.406 . 0 0 "[ . 1 . 2]" 1
54 1 36 GLU HA 1 36 GLU QG . . 3.220 2.639 2.451 3.320 0.100 9 0 "[ . 1 . 2]" 1
55 1 29 GLY QA 1 30 GLY H . . 3.260 2.724 2.580 2.902 . 0 0 "[ . 1 . 2]" 1
56 1 14 GLU H 1 15 TRP H . . 3.990 2.493 2.450 2.621 . 0 0 "[ . 1 . 2]" 1
57 1 15 TRP H 1 15 TRP QB . . 3.900 2.239 2.045 2.380 . 0 0 "[ . 1 . 2]" 1
58 1 23 ALA H 1 23 ALA MB . . 3.630 2.106 2.043 2.139 . 0 0 "[ . 1 . 2]" 1
59 1 56 GLU H 1 56 GLU QG . . 3.800 2.733 1.894 3.972 0.172 9 0 "[ . 1 . 2]" 1
60 1 27 GLU H 1 27 GLU QB . . 3.810 2.519 2.096 2.718 . 0 0 "[ . 1 . 2]" 1
61 1 36 GLU H 1 36 GLU QB . . 3.640 2.268 2.204 2.628 . 0 0 "[ . 1 . 2]" 1
62 1 39 LYS HA 1 43 GLU H . . 4.930 4.632 4.178 4.944 0.014 5 0 "[ . 1 . 2]" 1
63 1 7 GLU H 1 7 GLU QB . . 3.750 2.359 2.031 2.525 . 0 0 "[ . 1 . 2]" 1
64 1 14 GLU H 1 14 GLU QB . . 3.350 2.579 2.488 2.656 . 0 0 "[ . 1 . 2]" 1
65 1 14 GLU H 1 14 GLU QG . . 3.420 2.187 2.068 2.339 . 0 0 "[ . 1 . 2]" 1
66 1 13 GLU H 1 13 GLU QB . . 3.520 2.073 2.040 2.179 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLU H 1 6 GLU QB . . 3.600 2.125 2.033 2.272 . 0 0 "[ . 1 . 2]" 1
68 1 46 LYS HA 1 50 GLU H . . 4.830 4.371 3.828 4.912 0.082 18 0 "[ . 1 . 2]" 1
69 1 20 GLU H 1 20 GLU QG . . 4.580 3.020 1.983 4.043 . 0 0 "[ . 1 . 2]" 1
70 1 50 GLU QB 1 51 LEU H . . 4.090 2.596 2.332 2.972 . 0 0 "[ . 1 . 2]" 1
71 1 10 LYS HA 1 13 GLU H . . 3.970 3.097 3.031 3.493 . 0 0 "[ . 1 . 2]" 1
72 1 17 LYS H 1 17 LYS QB . . 3.190 2.124 2.030 2.256 . 0 0 "[ . 1 . 2]" 1
73 1 17 LYS QB 1 18 LEU H . . 3.440 2.381 2.150 2.548 . 0 0 "[ . 1 . 2]" 1
74 1 18 LEU H 1 18 LEU QB . . 3.310 2.381 2.226 2.593 . 0 0 "[ . 1 . 2]" 1
75 1 51 LEU H 1 51 LEU QB . . 3.520 2.433 2.108 2.648 . 0 0 "[ . 1 . 2]" 1
76 1 24 LYS H 1 24 LYS QG . . 3.820 2.053 1.924 2.541 . 0 0 "[ . 1 . 2]" 1
77 1 24 LYS H 1 24 LYS QB . . 3.560 2.527 2.307 2.592 . 0 0 "[ . 1 . 2]" 1
78 1 59 LEU QB 1 60 LYS H . . 3.850 2.108 1.862 3.249 . 0 0 "[ . 1 . 2]" 1
79 1 60 LYS QB 1 61 LYS H . . 3.740 2.027 1.892 2.401 . 0 0 "[ . 1 . 2]" 1
80 1 3 LYS H 1 3 LYS QB . . 3.620 2.772 2.541 2.953 . 0 0 "[ . 1 . 2]" 1
81 1 3 LYS H 1 3 LYS QG . . 4.030 3.758 2.909 4.032 0.002 10 0 "[ . 1 . 2]" 1
82 1 40 LEU H 1 40 LEU HG . . 3.470 3.125 2.661 3.630 0.160 12 0 "[ . 1 . 2]" 1
83 1 45 ALA MB 1 46 LYS H . . 4.270 2.997 2.968 3.008 . 0 0 "[ . 1 . 2]" 1
84 1 46 LYS H 1 46 LYS QB . . 3.810 2.077 2.043 2.223 . 0 0 "[ . 1 . 2]" 1
85 1 34 GLY QA 1 35 GLY H . . 3.400 2.368 2.114 2.872 . 0 0 "[ . 1 . 2]" 1
86 1 54 LEU H 1 55 ALA H . . 3.880 2.530 2.420 2.716 . 0 0 "[ . 1 . 2]" 1
87 1 43 GLU H 1 43 GLU QG . . 4.130 2.202 1.957 2.534 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU QB 1 7 GLU H . . 3.950 2.954 2.760 3.581 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLU H 1 7 GLU QG . . 4.070 2.480 2.043 3.534 . 0 0 "[ . 1 . 2]" 1
90 1 31 GLY QA 1 32 GLY H . . 2.920 2.312 2.113 2.843 . 0 0 "[ . 1 . 2]" 1
91 1 32 GLY QA 1 33 GLY H . . 3.330 2.257 2.113 2.814 . 0 0 "[ . 1 . 2]" 1
92 1 4 LEU QB 1 5 ARG H . . 3.820 3.068 2.177 3.908 0.088 11 0 "[ . 1 . 2]" 1
93 1 30 GLY QA 1 31 GLY H . . 2.800 2.458 2.117 2.767 . 0 0 "[ . 1 . 2]" 1
94 1 3 LYS H 1 4 LEU H . . 3.720 2.180 1.876 2.639 . 0 0 "[ . 1 . 2]" 1
95 1 4 LEU H 1 4 LEU QB . . 3.300 2.604 2.109 3.349 0.049 9 0 "[ . 1 . 2]" 1
96 1 56 GLU H 1 57 GLU H . . 3.860 2.592 2.420 2.765 . 0 0 "[ . 1 . 2]" 1
97 1 36 GLU H 1 36 GLU QG . . 4.050 3.709 2.070 3.967 . 0 0 "[ . 1 . 2]" 1
98 1 42 GLU H 1 43 GLU H . . 3.470 2.646 2.486 2.735 . 0 0 "[ . 1 . 2]" 1
99 1 28 GLY H 1 29 GLY H . . 3.800 2.754 2.609 3.659 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU H 1 13 GLU H . . 4.440 3.937 3.851 4.000 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLU H 1 59 LEU HA . . 4.440 4.306 3.814 4.488 0.048 19 0 "[ . 1 . 2]" 1
102 1 46 LYS H 1 47 LYS H . . 4.050 2.581 2.520 2.644 . 0 0 "[ . 1 . 2]" 1
103 1 16 LYS H 1 17 LYS H . . 4.040 2.470 2.419 2.599 . 0 0 "[ . 1 . 2]" 1
104 1 8 ALA H 1 9 ALA H . . 4.130 2.556 2.444 2.748 . 0 0 "[ . 1 . 2]" 1
105 1 8 ALA MB 1 9 ALA H . . 4.280 2.909 2.865 2.945 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLU HA 1 9 ALA H . . 4.050 3.204 3.020 3.507 . 0 0 "[ . 1 . 2]" 1
107 1 59 LEU H 1 59 LEU QD . . 4.200 3.363 2.303 3.927 . 0 0 "[ . 1 . 2]" 1
108 1 53 LYS H 1 53 LYS QB . . 3.710 2.173 2.035 2.493 . 0 0 "[ . 1 . 2]" 1
109 1 59 LEU H 1 59 LEU QB . . 3.550 2.274 2.048 2.442 . 0 0 "[ . 1 . 2]" 1
110 1 58 ARG H 1 59 LEU H . . 3.860 2.428 2.392 2.582 . 0 0 "[ . 1 . 2]" 1
111 1 39 LYS H 1 40 LEU H . . 3.840 2.690 2.534 2.757 . 0 0 "[ . 1 . 2]" 1
112 1 37 LEU H 1 37 LEU QD . . 4.190 3.467 1.953 3.731 . 0 0 "[ . 1 . 2]" 1
113 1 36 GLU H 1 37 LEU H . . 4.390 2.642 2.427 2.783 . 0 0 "[ . 1 . 2]" 1
114 1 37 LEU H 1 38 MET H . . 4.580 2.834 2.662 2.954 . 0 0 "[ . 1 . 2]" 1
115 1 53 LYS QB 1 54 LEU H . . 4.680 2.411 2.102 3.383 . 0 0 "[ . 1 . 2]" 1
116 1 49 GLU H 1 50 GLU H . . 4.080 2.565 2.425 2.735 . 0 0 "[ . 1 . 2]" 1
117 1 20 GLU QB 1 21 GLU H . . 3.640 2.375 2.349 2.410 . 0 0 "[ . 1 . 2]" 1
118 1 21 GLU H 1 21 GLU QB . . 3.700 2.535 2.486 2.636 . 0 0 "[ . 1 . 2]" 1
119 1 18 LEU H 1 18 LEU QD . . 3.870 2.967 2.304 3.322 . 0 0 "[ . 1 . 2]" 1
120 1 39 LYS H 1 39 LYS HB2 . . 3.770 2.375 2.072 2.723 . 0 0 "[ . 1 . 2]" 1
121 1 27 GLU H 1 27 GLU QG . . 4.290 2.517 2.100 4.084 . 0 0 "[ . 1 . 2]" 1
122 1 17 LYS HA 1 20 GLU H . . 4.770 3.473 3.362 3.675 . 0 0 "[ . 1 . 2]" 1
123 1 5 ARG QD 1 59 LEU H . . 5.110 4.903 4.594 5.114 0.004 2 0 "[ . 1 . 2]" 1
124 1 27 GLU QB 1 28 GLY H . . 4.320 3.505 3.169 3.784 . 0 0 "[ . 1 . 2]" 1
125 1 48 ALA MB 1 49 GLU H . . 4.320 2.634 2.348 2.924 . 0 0 "[ . 1 . 2]" 1
126 1 42 GLU H 1 42 GLU QB . . 3.730 2.172 2.037 2.260 . 0 0 "[ . 1 . 2]" 1
127 1 25 LEU H 1 25 LEU QB . . 3.440 2.097 2.061 2.179 . 0 0 "[ . 1 . 2]" 1
128 1 39 LYS H 1 39 LYS QB . . 2.960 2.192 2.045 2.249 . 0 0 "[ . 1 . 2]" 1
129 1 49 GLU HA 1 49 GLU QB . . 2.640 2.392 2.301 2.521 . 0 0 "[ . 1 . 2]" 1
130 1 56 GLU H 1 56 GLU QB . . 3.420 2.466 2.163 2.691 . 0 0 "[ . 1 . 2]" 1
131 1 23 ALA HA 1 26 LEU H . . 4.430 3.545 3.468 3.618 . 0 0 "[ . 1 . 2]" 1
132 1 8 ALA HA 1 11 LEU HG . . 3.890 2.146 1.996 2.514 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE HB2 1 13 GLU HA . . 4.650 4.375 4.251 4.680 0.030 18 0 "[ . 1 . 2]" 1
134 1 12 PHE HB3 1 13 GLU HA . . 4.490 4.496 4.226 4.588 0.098 20 0 "[ . 1 . 2]" 1
135 1 21 GLU H 1 21 GLU QG . . 3.420 2.148 1.900 2.297 . 0 0 "[ . 1 . 2]" 1
136 1 13 GLU HA 1 13 GLU QG . . 3.140 2.184 2.033 2.355 . 0 0 "[ . 1 . 2]" 1
137 1 42 GLU HA 1 42 GLU QG . . 3.040 2.316 2.065 2.546 . 0 0 "[ . 1 . 2]" 1
138 1 42 GLU QG 1 43 GLU H . . 4.670 4.207 3.733 4.565 . 0 0 "[ . 1 . 2]" 1
139 1 56 GLU HB3 1 56 GLU QG . . 2.780 2.380 2.172 2.519 . 0 0 "[ . 1 . 2]" 1
140 1 7 GLU QB 1 8 ALA H . . 3.930 2.743 2.299 3.510 . 0 0 "[ . 1 . 2]" 1
141 1 21 GLU QB 1 22 ALA H . . 4.690 2.602 2.303 3.476 . 0 0 "[ . 1 . 2]" 1
142 1 57 GLU QB 1 58 ARG H . . 3.480 2.399 2.241 2.628 . 0 0 "[ . 1 . 2]" 1
143 1 36 GLU QB 1 37 LEU H . . 3.840 2.893 2.265 3.758 . 0 0 "[ . 1 . 2]" 1
144 1 38 MET H 1 38 MET ME . . 4.470 4.152 3.817 4.474 0.004 14 0 "[ . 1 . 2]" 1
145 1 46 LYS QB 1 46 LYS QE . . 4.420 3.348 2.333 3.724 . 0 0 "[ . 1 . 2]" 1
146 1 40 LEU H 1 40 LEU HB3 . . 3.900 3.443 3.308 3.557 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS QB 1 17 LYS H . . 4.050 3.262 2.808 3.719 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU H 1 11 LEU HG . . 3.470 2.081 1.928 2.253 . 0 0 "[ . 1 . 2]" 1
149 1 47 LYS QG 1 48 ALA H . . 4.460 4.241 3.888 4.459 . 0 0 "[ . 1 . 2]" 1
150 1 10 LYS H 1 10 LYS QG . . 3.750 2.081 1.925 2.218 . 0 0 "[ . 1 . 2]" 1
151 1 9 ALA H 1 9 ALA MB . . 3.120 2.087 2.031 2.224 . 0 0 "[ . 1 . 2]" 1
152 1 59 LEU QB 1 60 LYS HA . . 4.330 4.156 3.842 4.402 0.072 12 0 "[ . 1 . 2]" 1
153 1 60 LYS H 1 60 LYS QG . . 4.320 2.053 1.809 3.477 . 0 0 "[ . 1 . 2]" 1
154 1 53 LYS QG 1 54 LEU H . . 4.490 3.864 2.074 4.465 . 0 0 "[ . 1 . 2]" 1
155 1 3 LYS QG 1 4 LEU H . . 4.460 4.182 2.585 4.525 0.065 9 0 "[ . 1 . 2]" 1
156 1 46 LYS H 1 46 LYS QG . . 3.870 3.599 3.399 3.914 0.044 12 0 "[ . 1 . 2]" 1
157 1 17 LYS HA 1 17 LYS QG . . 3.380 2.252 2.016 2.525 . 0 0 "[ . 1 . 2]" 1
158 1 24 LYS HA 1 24 LYS QG . . 3.660 3.362 3.340 3.432 . 0 0 "[ . 1 . 2]" 1
159 1 53 LYS HA 1 53 LYS QG . . 3.890 2.504 2.027 3.344 . 0 0 "[ . 1 . 2]" 1
160 1 53 LYS QD 1 53 LYS QG . . 2.470 2.059 2.010 2.096 . 0 0 "[ . 1 . 2]" 1
161 1 53 LYS QE 1 53 LYS QG . . 3.350 2.160 1.966 2.344 . 0 0 "[ . 1 . 2]" 1
162 1 53 LYS H 1 53 LYS QG . . 4.270 3.611 2.077 4.057 . 0 0 "[ . 1 . 2]" 1
163 1 44 ALA MB 1 45 ALA H . . 3.880 2.592 2.453 2.677 . 0 0 "[ . 1 . 2]" 1
164 1 18 LEU QB 1 18 LEU QD . . 2.750 1.821 1.700 1.919 . 0 0 "[ . 1 . 2]" 1
165 1 51 LEU QB 1 51 LEU QD . . 2.720 1.801 1.719 1.934 . 0 0 "[ . 1 . 2]" 1
166 1 62 LEU QB 1 62 LEU QD . . 2.750 1.885 1.774 1.985 . 0 0 "[ . 1 . 2]" 1
167 1 59 LEU HA 1 59 LEU QD . . 3.630 2.193 2.000 2.441 . 0 0 "[ . 1 . 2]" 1
168 1 27 GLU HA 1 27 GLU QG . . 3.170 2.631 2.166 3.334 0.164 11 0 "[ . 1 . 2]" 1
169 1 6 GLU HA 1 6 GLU QG . . 3.130 2.276 2.029 3.315 0.185 11 0 "[ . 1 . 2]" 1
170 1 61 LYS HA 1 61 LYS QG . . 3.510 2.572 2.008 3.401 . 0 0 "[ . 1 . 2]" 1
171 1 23 ALA HA 1 26 LEU QB . . 3.860 2.508 2.352 2.670 . 0 0 "[ . 1 . 2]" 1
172 1 40 LEU HA 1 43 GLU QG . . 3.680 2.391 1.964 2.963 . 0 0 "[ . 1 . 2]" 1
173 1 12 PHE HB2 1 13 GLU H . . 4.730 3.010 2.891 3.176 . 0 0 "[ . 1 . 2]" 1
174 1 44 ALA H 1 45 ALA H . . 4.830 2.842 2.825 2.907 . 0 0 "[ . 1 . 2]" 1
175 1 56 GLU H 1 56 GLU HB2 . . 3.770 2.850 2.241 3.618 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLU QB 1 14 GLU H . . 4.010 2.723 2.461 2.905 . 0 0 "[ . 1 . 2]" 1
177 1 18 LEU H 1 18 LEU HG . . 3.940 2.459 1.990 2.861 . 0 0 "[ . 1 . 2]" 1
178 1 26 LEU HG 1 27 GLU H . . 5.430 4.835 4.807 4.885 . 0 0 "[ . 1 . 2]" 1
179 1 50 GLU H 1 51 LEU HG . . 5.400 4.349 3.657 5.404 0.004 20 0 "[ . 1 . 2]" 1
180 1 5 ARG H 1 5 ARG QG . . 3.670 2.251 1.907 2.907 . 0 0 "[ . 1 . 2]" 1
181 1 14 GLU QG 1 15 TRP H . . 4.600 3.858 3.690 3.969 . 0 0 "[ . 1 . 2]" 1
182 1 43 GLU QG 1 44 ALA H . . 4.850 4.093 3.940 4.324 . 0 0 "[ . 1 . 2]" 1
183 1 33 GLY QA 1 34 GLY H . . 3.450 2.441 2.112 2.849 . 0 0 "[ . 1 . 2]" 1
184 1 22 ALA H 1 23 ALA H . . 4.330 2.668 2.433 2.751 . 0 0 "[ . 1 . 2]" 1
185 1 55 ALA H 1 56 GLU H . . 4.490 2.703 2.553 2.808 . 0 0 "[ . 1 . 2]" 1
186 1 54 LEU QB 1 55 ALA H . . 4.100 2.879 2.601 3.029 . 0 0 "[ . 1 . 2]" 1
187 1 5 ARG H 1 6 GLU HA . . 5.180 5.153 5.062 5.298 0.118 14 0 "[ . 1 . 2]" 1
188 1 51 LEU H 1 52 PHE H . . 3.960 2.571 2.487 2.832 . 0 0 "[ . 1 . 2]" 1
189 1 5 ARG H 1 5 ARG QD . . 4.120 3.643 2.122 4.146 0.026 14 0 "[ . 1 . 2]" 1
190 1 5 ARG H 1 6 GLU H . . 3.980 2.563 2.501 2.762 . 0 0 "[ . 1 . 2]" 1
191 1 5 ARG HA 1 7 GLU H . . 4.140 3.796 3.610 4.000 . 0 0 "[ . 1 . 2]" 1
192 1 55 ALA MB 1 56 GLU H . . 4.170 2.792 2.549 2.972 . 0 0 "[ . 1 . 2]" 1
193 1 38 MET H 1 39 LYS H . . 4.030 2.583 2.484 2.806 . 0 0 "[ . 1 . 2]" 1
194 1 3 LYS QB 1 4 LEU H . . 4.170 2.628 2.026 3.892 . 0 0 "[ . 1 . 2]" 1
195 1 5 ARG QB 1 6 GLU H . . 4.000 2.797 2.387 3.435 . 0 0 "[ . 1 . 2]" 1
196 1 6 GLU H 1 7 GLU H . . 3.800 2.731 2.689 2.745 . 0 0 "[ . 1 . 2]" 1
197 1 47 LYS H 1 48 ALA H . . 3.970 2.718 2.476 2.916 . 0 0 "[ . 1 . 2]" 1
198 1 50 GLU H 1 51 LEU H . . 3.550 2.620 2.469 2.870 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLU H 1 13 GLU QG . . 4.380 3.745 3.547 3.981 . 0 0 "[ . 1 . 2]" 1
200 1 13 GLU QG 1 14 GLU H . . 4.680 4.347 4.113 4.567 . 0 0 "[ . 1 . 2]" 1
201 1 53 LYS H 1 54 LEU H . . 4.420 2.827 2.495 3.012 . 0 0 "[ . 1 . 2]" 1
202 1 57 GLU H 1 59 LEU H . . 3.800 3.711 3.534 3.935 0.135 8 0 "[ . 1 . 2]" 1
203 1 15 TRP H 1 16 LYS H . . 4.090 2.796 2.632 2.930 . 0 0 "[ . 1 . 2]" 1
204 1 40 LEU HB2 1 41 CYS H . . 3.700 2.833 2.308 3.169 . 0 0 "[ . 1 . 2]" 1
205 1 52 PHE H 1 53 LYS H . . 4.290 2.680 2.527 2.743 . 0 0 "[ . 1 . 2]" 1
206 1 40 LEU H 1 41 CYS H . . 4.480 2.689 2.474 2.978 . 0 0 "[ . 1 . 2]" 1
207 1 10 LYS H 1 11 LEU H . . 3.750 2.660 2.455 2.789 . 0 0 "[ . 1 . 2]" 1
208 1 8 ALA HA 1 11 LEU H . . 4.560 3.480 3.313 3.747 . 0 0 "[ . 1 . 2]" 1
209 1 35 GLY QA 1 37 LEU H . . 5.140 3.541 3.050 3.963 . 0 0 "[ . 1 . 2]" 1
210 1 47 LYS QB 1 48 ALA H . . 3.810 2.487 2.273 2.962 . 0 0 "[ . 1 . 2]" 1
211 1 10 LYS QB 1 11 LEU H . . 4.680 2.689 2.228 2.879 . 0 0 "[ . 1 . 2]" 1
212 1 9 ALA H 1 10 LYS H . . 4.260 2.627 2.444 2.834 . 0 0 "[ . 1 . 2]" 1
213 1 10 LYS H 1 11 LEU HG . . 4.100 4.037 3.651 4.104 0.004 20 0 "[ . 1 . 2]" 1
214 1 18 LEU H 1 19 ALA H . . 4.260 2.726 2.678 2.806 . 0 0 "[ . 1 . 2]" 1
215 1 45 ALA H 1 46 LYS H . . 3.420 2.463 2.454 2.536 . 0 0 "[ . 1 . 2]" 1
216 1 27 GLU H 1 28 GLY H . . 3.580 2.497 2.250 2.590 . 0 0 "[ . 1 . 2]" 1
217 1 56 GLU HA 1 60 LYS H . . 5.240 3.006 1.865 4.741 . 0 0 "[ . 1 . 2]" 1
218 1 23 ALA H 1 24 LYS H . . 4.300 2.668 2.592 2.698 . 0 0 "[ . 1 . 2]" 1
219 1 57 GLU H 1 58 ARG H . . 4.440 2.705 2.577 2.844 . 0 0 "[ . 1 . 2]" 1
220 1 25 LEU H 1 25 LEU QD . . 4.290 3.542 3.432 3.605 . 0 0 "[ . 1 . 2]" 1
221 1 49 GLU H 1 49 GLU QB . . 3.620 2.220 2.083 2.261 . 0 0 "[ . 1 . 2]" 1
222 1 49 GLU H 1 49 GLU QG . . 4.550 3.895 3.029 4.045 . 0 0 "[ . 1 . 2]" 1
223 1 55 ALA HA 1 58 ARG QB . . 4.620 3.869 2.553 4.687 0.067 20 0 "[ . 1 . 2]" 1
224 1 55 ALA HA 1 58 ARG H . . 4.930 3.535 3.211 3.788 . 0 0 "[ . 1 . 2]" 1
225 1 36 GLU QG 1 39 LYS QD . . 3.920 3.386 2.271 3.923 0.003 18 0 "[ . 1 . 2]" 1
226 1 56 GLU QG 1 57 GLU H . . 3.650 3.465 2.158 3.877 0.227 8 0 "[ . 1 . 2]" 1
227 1 43 GLU QB 1 47 LYS QG . . 4.680 3.789 2.874 4.633 . 0 0 "[ . 1 . 2]" 1
228 1 38 MET HA 1 38 MET ME . . 3.830 3.396 1.922 3.833 0.003 12 0 "[ . 1 . 2]" 1
229 1 53 LYS QB 1 55 ALA H . . 4.450 4.359 4.161 4.664 0.214 12 0 "[ . 1 . 2]" 1
230 1 10 LYS H 1 10 LYS QB . . 2.770 2.614 2.588 2.627 . 0 0 "[ . 1 . 2]" 1
231 1 10 LYS QB 1 10 LYS QE . . 3.770 2.570 2.122 3.589 . 0 0 "[ . 1 . 2]" 1
232 1 17 LYS QB 1 20 GLU H . . 4.800 4.723 4.601 4.838 0.038 16 0 "[ . 1 . 2]" 1
233 1 25 LEU HB2 1 25 LEU QD . . 2.970 2.245 2.223 2.293 . 0 0 "[ . 1 . 2]" 1
234 1 20 GLU QB 1 21 GLU QB . . 4.220 4.202 3.968 4.280 0.060 13 0 "[ . 1 . 2]" 1
235 1 18 LEU QB 1 21 GLU QB . . 5.300 4.859 4.524 5.336 0.036 14 0 "[ . 1 . 2]" 1
236 1 36 GLU QB 1 37 LEU QB . . 5.500 4.354 3.777 5.146 . 0 0 "[ . 1 . 2]" 1
237 1 59 LEU H 1 60 LYS QD . . 4.660 4.473 3.953 4.795 0.135 16 0 "[ . 1 . 2]" 1
238 1 39 LYS QE 1 39 LYS QG . . 3.410 2.095 1.952 2.237 . 0 0 "[ . 1 . 2]" 1
239 1 6 GLU HA 1 9 ALA MB . . 2.560 2.513 2.321 2.602 0.042 6 0 "[ . 1 . 2]" 1
240 1 9 ALA MB 1 10 LYS H . . 3.340 2.648 2.364 2.937 . 0 0 "[ . 1 . 2]" 1
241 1 2 LYS QG 1 3 LYS H . . 3.730 3.150 1.934 3.745 0.015 6 0 "[ . 1 . 2]" 1
242 1 60 LYS QG 1 61 LYS H . . 3.860 2.976 1.854 3.960 0.100 16 0 "[ . 1 . 2]" 1
243 1 23 ALA H 1 24 LYS QG . . 4.490 3.749 3.643 4.190 . 0 0 "[ . 1 . 2]" 1
244 1 24 LYS QG 1 25 LEU H . . 3.780 2.159 2.022 2.254 . 0 0 "[ . 1 . 2]" 1
245 1 22 ALA H 1 24 LYS QG . . 5.190 4.364 4.075 4.911 . 0 0 "[ . 1 . 2]" 1
246 1 24 LYS QG 1 26 LEU H . . 5.440 4.364 4.288 4.451 . 0 0 "[ . 1 . 2]" 1
247 1 59 LEU H 1 60 LYS QG . . 4.250 4.198 3.411 4.505 0.255 20 0 "[ . 1 . 2]" 1
248 1 4 LEU QD 1 7 GLU QG . . 3.720 3.243 1.987 3.785 0.065 14 0 "[ . 1 . 2]" 1
249 1 51 LEU H 1 51 LEU QD . . 3.370 2.995 2.660 3.375 0.005 16 0 "[ . 1 . 2]" 1
250 1 13 GLU HA 1 15 TRP H . . 4.390 4.288 4.109 4.393 0.003 13 0 "[ . 1 . 2]" 1
251 1 25 LEU QD 1 28 GLY QA . . 3.090 3.215 3.191 3.253 0.163 14 0 "[ . 1 . 2]" 1
252 1 2 LYS QB 1 3 LYS H . . 3.180 2.458 1.979 3.298 0.118 12 0 "[ . 1 . 2]" 1
253 1 44 ALA H 1 45 ALA MB . . 4.440 4.451 4.435 4.492 0.052 18 0 "[ . 1 . 2]" 1
254 1 14 GLU H 1 17 LYS QB . . 4.440 4.350 4.231 4.458 0.018 14 0 "[ . 1 . 2]" 1
255 1 27 GLU QB 1 29 GLY H . . 4.090 3.812 2.565 4.275 0.185 13 0 "[ . 1 . 2]" 1
256 1 43 GLU QB 1 47 LYS H . . 4.270 4.078 3.722 4.275 0.005 5 0 "[ . 1 . 2]" 1
257 1 47 LYS H 1 50 GLU H . . 4.870 4.732 4.432 4.904 0.034 18 0 "[ . 1 . 2]" 1
258 1 38 MET QG 1 40 LEU H . . 4.850 4.836 4.757 4.883 0.033 13 0 "[ . 1 . 2]" 1
259 1 40 LEU H 1 40 LEU QD . . 3.960 3.373 2.012 3.598 . 0 0 "[ . 1 . 2]" 1
260 1 47 LYS QB 1 50 GLU H . . 4.830 4.745 4.613 4.836 0.006 2 0 "[ . 1 . 2]" 1
261 1 21 GLU H 1 23 ALA H . . 4.060 3.912 3.790 4.113 0.053 14 0 "[ . 1 . 2]" 1
262 1 20 GLU QG 1 21 GLU H . . 4.080 3.866 3.537 4.063 . 0 0 "[ . 1 . 2]" 1
263 1 24 LYS QD 1 25 LEU H . . 4.390 3.803 2.546 4.355 . 0 0 "[ . 1 . 2]" 1
264 1 38 MET QG 1 41 CYS H . . 4.740 4.279 3.690 4.781 0.041 18 0 "[ . 1 . 2]" 1
265 1 46 LYS H 1 47 LYS QB . . 4.560 4.391 4.227 4.558 . 0 0 "[ . 1 . 2]" 1
266 1 56 GLU H 1 60 LYS QG . . 5.040 5.147 5.044 5.257 0.217 20 0 "[ . 1 . 2]" 1
267 1 14 GLU QB 1 18 LEU H . . 4.180 4.152 4.025 4.230 0.050 18 0 "[ . 1 . 2]" 1
268 1 18 LEU QD 1 19 ALA H . . 4.350 4.113 3.825 4.287 . 0 0 "[ . 1 . 2]" 1
269 1 39 LYS QG 1 42 GLU H . . 4.830 4.707 4.111 4.840 0.010 16 0 "[ . 1 . 2]" 1
270 1 25 LEU QB 1 25 LEU QD . . 2.520 1.944 1.938 1.953 . 0 0 "[ . 1 . 2]" 1
271 1 8 ALA HA 1 11 LEU QD . . 3.340 2.126 1.931 2.380 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLU HA 1 21 GLU QG . . 4.850 4.898 4.874 4.970 0.120 14 0 "[ . 1 . 2]" 1
273 1 35 GLY QA 1 37 LEU QB . . 4.460 4.315 3.901 4.551 0.091 16 0 "[ . 1 . 2]" 1
274 1 22 ALA HA 1 25 LEU QD . . 3.730 3.364 3.251 3.445 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA HA 1 26 LEU H . . 4.880 3.642 3.574 3.715 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA HA 1 26 LEU HG . . 4.340 4.006 3.864 4.149 . 0 0 "[ . 1 . 2]" 1
277 1 12 PHE HB3 1 15 TRP QB . . 4.430 3.639 3.544 3.814 . 0 0 "[ . 1 . 2]" 1
278 1 57 GLU H 1 58 ARG QD . . 4.210 3.990 3.453 4.434 0.224 14 0 "[ . 1 . 2]" 1
279 1 20 GLU H 1 21 GLU QG . . 4.760 4.086 3.502 4.409 . 0 0 "[ . 1 . 2]" 1
280 1 14 GLU HA 1 14 GLU QG . . 2.820 2.499 2.409 2.583 . 0 0 "[ . 1 . 2]" 1
281 1 40 LEU QD 1 43 GLU QG . . 3.140 2.954 2.358 3.169 0.029 14 0 "[ . 1 . 2]" 1
282 1 10 LYS H 1 13 GLU QB . . 4.540 4.530 4.414 4.572 0.032 18 0 "[ . 1 . 2]" 1
283 1 7 GLU QB 1 11 LEU QD . . 4.320 3.881 3.404 4.326 0.006 19 0 "[ . 1 . 2]" 1
284 1 56 GLU HB2 1 62 LEU QD . . 4.550 2.780 1.919 4.414 . 0 0 "[ . 1 . 2]" 1
285 1 10 LYS HA 1 13 GLU QB . . 2.910 2.048 1.969 2.451 . 0 0 "[ . 1 . 2]" 1
286 1 56 GLU HB3 1 62 LEU HG . . 3.600 3.364 2.602 3.757 0.157 20 0 "[ . 1 . 2]" 1
287 1 6 GLU QB 1 10 LYS QG . . 4.280 4.142 3.552 4.312 0.032 18 0 "[ . 1 . 2]" 1
288 1 56 GLU HB3 1 62 LEU QD . . 3.380 2.642 1.918 3.406 0.026 10 0 "[ . 1 . 2]" 1
289 1 47 LYS HA 1 50 GLU QB . . 2.900 2.588 1.978 2.904 0.004 9 0 "[ . 1 . 2]" 1
290 1 25 LEU H 1 26 LEU QB . . 4.870 4.148 4.131 4.172 . 0 0 "[ . 1 . 2]" 1
291 1 26 LEU QB 1 28 GLY H . . 4.790 4.225 4.125 4.310 . 0 0 "[ . 1 . 2]" 1
292 1 43 GLU H 1 46 LYS QB . . 4.580 4.563 4.412 4.657 0.077 18 0 "[ . 1 . 2]" 1
293 1 10 LYS QB 1 11 LEU QD . . 4.070 3.291 2.806 3.843 . 0 0 "[ . 1 . 2]" 1
294 1 17 LYS QB 1 18 LEU QD . . 4.380 3.713 3.081 3.955 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLU QB 1 25 LEU HG . . 4.070 4.106 4.095 4.122 0.052 13 0 "[ . 1 . 2]" 1
296 1 11 LEU QB 1 13 GLU H . . 4.510 4.439 4.318 4.678 0.168 7 0 "[ . 1 . 2]" 1
297 1 10 LYS H 1 11 LEU QB . . 5.100 4.791 4.532 5.036 . 0 0 "[ . 1 . 2]" 1
298 1 17 LYS QB 1 18 LEU HG . . 3.520 3.395 3.119 3.550 0.030 18 0 "[ . 1 . 2]" 1
299 1 37 LEU HG 1 38 MET H . . 3.640 3.204 2.016 3.651 0.011 13 0 "[ . 1 . 2]" 1
300 1 37 LEU HG 1 39 LYS H . . 5.360 5.190 4.497 5.380 0.020 11 0 "[ . 1 . 2]" 1
301 1 16 LYS HA 1 19 ALA MB . . 4.080 2.640 2.361 2.881 . 0 0 "[ . 1 . 2]" 1
302 1 19 ALA MB 1 45 ALA MB . . 3.670 2.518 1.740 3.676 0.006 14 0 "[ . 1 . 2]" 1
303 1 10 LYS HA 1 10 LYS QG . . 2.990 2.521 2.480 2.576 . 0 0 "[ . 1 . 2]" 1
304 1 5 ARG QB 1 8 ALA MB . . 4.110 4.037 3.733 4.151 0.041 6 0 "[ . 1 . 2]" 1
305 1 23 ALA MB 1 26 LEU QB . . 4.600 3.968 3.837 4.108 . 0 0 "[ . 1 . 2]" 1
306 1 56 GLU H 1 59 LEU QB . . 4.460 4.379 4.043 4.660 0.200 20 0 "[ . 1 . 2]" 1
307 1 6 GLU QG 1 9 ALA MB . . 4.410 3.007 2.417 4.330 . 0 0 "[ . 1 . 2]" 1
308 1 55 ALA MB 1 56 GLU HB2 . . 5.110 4.827 4.145 5.197 0.087 20 0 "[ . 1 . 2]" 1
309 1 22 ALA MB 1 26 LEU H . . 4.290 4.329 4.304 4.359 0.069 5 0 "[ . 1 . 2]" 1
310 1 17 LYS QE 1 17 LYS QG . . 3.390 2.094 1.949 2.267 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLU H 1 23 ALA MB . . 4.430 4.500 4.454 4.537 0.107 14 0 "[ . 1 . 2]" 1
312 1 47 LYS H 1 48 ALA MB . . 4.440 4.298 4.083 4.446 0.006 16 0 "[ . 1 . 2]" 1
313 1 44 ALA MB 1 47 LYS H . . 4.890 4.889 4.841 4.925 0.035 7 0 "[ . 1 . 2]" 1
314 1 43 GLU QB 1 44 ALA MB . . 4.460 4.093 3.924 4.315 . 0 0 "[ . 1 . 2]" 1
315 1 12 PHE QB 1 51 LEU QD . . 3.740 3.264 2.348 3.754 0.014 20 0 "[ . 1 . 2]" 1
316 1 56 GLU QG 1 62 LEU QD . . 3.350 3.035 2.101 3.383 0.033 20 0 "[ . 1 . 2]" 1
317 1 6 GLU HA 1 59 LEU QD . . 3.380 2.080 1.795 2.665 . 0 0 "[ . 1 . 2]" 1
318 1 56 GLU H 1 62 LEU QD . . 5.310 4.220 3.406 5.137 . 0 0 "[ . 1 . 2]" 1
319 1 35 GLY QA 1 36 GLU QB . . 4.550 4.095 3.860 4.389 . 0 0 "[ . 1 . 2]" 1
320 1 27 GLU QB 1 29 GLY QA . . 5.050 4.718 3.584 5.239 0.189 15 0 "[ . 1 . 2]" 1
321 1 12 PHE HB3 1 16 LYS H . . 4.790 4.786 4.675 4.824 0.034 11 0 "[ . 1 . 2]" 1
322 1 53 LYS H 1 53 LYS QD . . 3.900 3.676 2.645 4.207 0.307 15 0 "[ . 1 . 2]" 1
323 1 3 LYS H 1 6 GLU H . . 4.050 3.657 2.931 4.095 0.045 9 0 "[ . 1 . 2]" 1
324 1 3 LYS H 1 4 LEU QD . . 3.850 3.815 3.233 4.351 0.501 17 1 "[ . 1 . + 2]" 1
325 1 54 LEU QD 1 55 ALA H . . 4.670 4.069 3.871 4.319 . 0 0 "[ . 1 . 2]" 1
326 1 33 GLY H 1 37 LEU QD . . 3.910 3.428 2.078 4.044 0.134 11 0 "[ . 1 . 2]" 1
327 1 5 ARG QB 1 7 GLU H . . 4.790 4.545 4.430 4.791 0.001 20 0 "[ . 1 . 2]" 1
328 1 7 GLU H 1 8 ALA MB . . 4.390 4.358 4.303 4.399 0.009 10 0 "[ . 1 . 2]" 1
329 1 10 LYS QB 1 13 GLU H . . 4.370 4.405 4.364 4.597 0.227 7 0 "[ . 1 . 2]" 1
330 1 4 LEU H 1 5 ARG QG . . 4.160 3.745 2.663 4.170 0.010 9 0 "[ . 1 . 2]" 1
331 1 2 LYS QB 1 6 GLU H . . 4.010 3.533 2.270 4.058 0.048 17 0 "[ . 1 . 2]" 1
332 1 27 GLU QB 1 30 GLY H . . 5.080 4.294 2.352 5.105 0.025 15 0 "[ . 1 . 2]" 1
333 1 30 GLY H 1 31 GLY H . . 3.570 2.791 2.000 3.595 0.025 11 0 "[ . 1 . 2]" 1
334 1 9 ALA H 1 11 LEU H . . 4.360 4.083 3.889 4.481 0.121 7 0 "[ . 1 . 2]" 1
335 1 9 ALA H 1 11 LEU HG . . 4.500 4.485 4.379 4.544 0.044 18 0 "[ . 1 . 2]" 1
336 1 6 GLU QG 1 9 ALA H . . 4.610 4.401 3.961 4.629 0.019 11 0 "[ . 1 . 2]" 1
337 1 36 GLU QG 1 37 LEU H . . 3.620 3.495 2.508 3.687 0.067 18 0 "[ . 1 . 2]" 1
338 1 40 LEU H 1 43 GLU QG . . 5.020 4.503 4.028 4.935 . 0 0 "[ . 1 . 2]" 1
339 1 28 GLY H 1 30 GLY H . . 4.390 4.227 3.838 4.394 0.004 16 0 "[ . 1 . 2]" 1
340 1 16 LYS H 1 17 LYS QB . . 4.210 4.186 4.069 4.249 0.039 17 0 "[ . 1 . 2]" 1
341 1 11 LEU H 1 14 GLU QG . . 4.990 4.959 4.669 5.039 0.049 18 0 "[ . 1 . 2]" 1
342 1 17 LYS QG 1 18 LEU H . . 4.270 4.126 3.602 4.270 . 0 0 "[ . 1 . 2]" 1
343 1 36 GLU QG 1 39 LYS H . . 5.500 4.537 3.653 5.399 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU H 1 21 GLU QG . . 5.500 5.149 4.237 5.538 0.038 14 0 "[ . 1 . 2]" 1
345 1 11 LEU H 1 13 GLU QB . . 4.630 4.517 4.442 4.596 . 0 0 "[ . 1 . 2]" 1
346 1 38 MET QB 1 39 LYS H . . 3.350 2.763 2.439 2.911 . 0 0 "[ . 1 . 2]" 1
347 1 43 GLU QB 1 46 LYS H . . 4.340 4.352 4.262 4.418 0.078 16 0 "[ . 1 . 2]" 1
348 1 61 LYS H 1 62 LEU H . . 3.900 2.816 1.847 3.948 0.048 13 0 "[ . 1 . 2]" 1
349 1 56 GLU H 1 58 ARG QD . . 4.690 4.677 4.299 4.781 0.091 18 0 "[ . 1 . 2]" 1
350 1 3 LYS H 1 5 ARG H . . 4.070 3.002 2.367 4.103 0.033 13 0 "[ . 1 . 2]" 1
351 1 41 CYS H 1 43 GLU QG . . 4.740 4.600 4.403 4.758 0.018 14 0 "[ . 1 . 2]" 1
352 1 11 LEU QD 1 13 GLU H . . 5.500 5.056 4.164 5.211 . 0 0 "[ . 1 . 2]" 1
353 1 54 LEU QB 1 56 GLU H . . 4.750 4.608 4.425 4.766 0.016 10 0 "[ . 1 . 2]" 1
354 1 40 LEU QD 1 41 CYS H . . 4.260 4.024 3.737 4.248 . 0 0 "[ . 1 . 2]" 1
355 1 23 ALA HA 1 27 GLU H . . 4.330 4.416 4.393 4.455 0.125 18 0 "[ . 1 . 2]" 1
356 1 54 LEU QD 1 57 GLU H . . 4.490 4.115 3.276 4.495 0.005 3 0 "[ . 1 . 2]" 1
357 1 48 ALA H 1 51 LEU QD . . 4.520 3.714 3.084 4.524 0.004 20 0 "[ . 1 . 2]" 1
358 1 58 ARG QD 1 59 LEU H . . 5.070 3.959 2.413 4.593 . 0 0 "[ . 1 . 2]" 1
359 1 44 ALA H 1 46 LYS QB . . 5.450 4.606 4.544 4.666 . 0 0 "[ . 1 . 2]" 1
360 1 51 LEU QD 1 52 PHE H . . 4.450 3.252 2.292 4.198 . 0 0 "[ . 1 . 2]" 1
361 1 22 ALA HA 1 25 LEU QB . . 4.020 2.628 2.562 2.692 . 0 0 "[ . 1 . 2]" 1
362 2 2 LYS QB 2 3 LYS H . . 3.180 2.435 1.978 2.932 . 0 0 "[ . 1 . 2]" 1
363 2 2 LYS QB 2 6 GLU H . . 4.010 3.542 2.282 4.058 0.048 17 0 "[ . 1 . 2]" 1
364 2 2 LYS QG 2 3 LYS H . . 3.730 3.240 2.324 3.778 0.048 12 0 "[ . 1 . 2]" 1
365 2 3 LYS H 2 3 LYS QB . . 3.620 2.787 2.542 2.952 . 0 0 "[ . 1 . 2]" 1
366 2 3 LYS H 2 3 LYS QG . . 4.030 3.765 2.900 4.031 0.001 10 0 "[ . 1 . 2]" 1
367 2 3 LYS H 2 4 LEU H . . 3.720 2.201 1.886 2.637 . 0 0 "[ . 1 . 2]" 1
368 2 3 LYS H 2 4 LEU QD . . 3.850 3.851 3.507 4.351 0.501 17 1 "[ . 1 . + 2]" 1
369 2 3 LYS H 2 5 ARG H . . 4.070 2.954 2.373 4.107 0.037 13 0 "[ . 1 . 2]" 1
370 2 3 LYS H 2 6 GLU H . . 4.050 3.634 2.931 4.103 0.053 9 0 "[ . 1 . 2]" 1
371 2 3 LYS HA 2 3 LYS QB . . 2.780 2.465 2.303 2.536 . 0 0 "[ . 1 . 2]" 1
372 2 3 LYS HA 2 3 LYS QG . . 3.030 2.204 2.010 2.505 . 0 0 "[ . 1 . 2]" 1
373 2 3 LYS QB 2 4 LEU H . . 4.170 2.617 2.024 3.895 . 0 0 "[ . 1 . 2]" 1
374 2 3 LYS QG 2 4 LEU H . . 4.460 4.176 2.582 4.518 0.058 9 0 "[ . 1 . 2]" 1
375 2 4 LEU H 2 4 LEU QB . . 3.300 2.606 2.108 3.347 0.047 9 0 "[ . 1 . 2]" 1
376 2 4 LEU H 2 4 LEU QD . . 3.700 2.424 1.781 3.638 . 0 0 "[ . 1 . 2]" 1
377 2 4 LEU H 2 5 ARG QG . . 4.160 3.705 2.668 4.173 0.013 9 0 "[ . 1 . 2]" 1
378 2 4 LEU QB 2 4 LEU QD . . 2.880 1.966 1.758 2.091 . 0 0 "[ . 1 . 2]" 1
379 2 4 LEU QB 2 5 ARG H . . 3.820 3.092 2.180 3.902 0.082 11 0 "[ . 1 . 2]" 1
380 2 4 LEU QD 2 7 GLU QG . . 3.720 3.217 2.060 3.776 0.056 14 0 "[ . 1 . 2]" 1
381 2 5 ARG H 2 5 ARG QB . . 3.410 2.473 2.129 2.650 . 0 0 "[ . 1 . 2]" 1
382 2 5 ARG H 2 5 ARG QD . . 4.120 3.651 2.108 4.155 0.035 14 0 "[ . 1 . 2]" 1
383 2 5 ARG H 2 5 ARG QG . . 3.670 2.249 1.928 2.907 . 0 0 "[ . 1 . 2]" 1
384 2 5 ARG H 2 6 GLU H . . 3.980 2.569 2.501 2.762 . 0 0 "[ . 1 . 2]" 1
385 2 5 ARG H 2 6 GLU HA . . 5.180 5.157 5.067 5.298 0.118 14 0 "[ . 1 . 2]" 1
386 2 5 ARG HA 2 7 GLU H . . 4.140 3.796 3.616 4.039 . 0 0 "[ . 1 . 2]" 1
387 2 5 ARG QB 2 5 ARG QD . . 3.430 2.058 1.946 2.275 . 0 0 "[ . 1 . 2]" 1
388 2 5 ARG QB 2 6 GLU H . . 4.000 2.796 2.384 3.437 . 0 0 "[ . 1 . 2]" 1
389 2 5 ARG QB 2 7 GLU H . . 4.790 4.545 4.413 4.792 0.002 3 0 "[ . 1 . 2]" 1
390 2 5 ARG QB 2 8 ALA MB . . 4.110 4.037 3.723 4.149 0.039 6 0 "[ . 1 . 2]" 1
391 2 5 ARG QD 2 59 LEU H . . 5.110 4.930 4.227 5.132 0.022 11 0 "[ . 1 . 2]" 1
392 2 5 ARG QD 2 59 LEU HA . . 4.350 3.011 2.285 3.519 . 0 0 "[ . 1 . 2]" 1
393 2 5 ARG QD 2 59 LEU QD . . 3.380 3.183 2.002 3.407 0.027 14 0 "[ . 1 . 2]" 1
394 2 6 GLU H 2 6 GLU QB . . 3.600 2.128 2.033 2.282 . 0 0 "[ . 1 . 2]" 1
395 2 6 GLU H 2 7 GLU H . . 3.800 2.732 2.690 2.754 . 0 0 "[ . 1 . 2]" 1
396 2 6 GLU H 2 59 LEU HA . . 4.440 4.358 3.931 4.500 0.060 11 0 "[ . 1 . 2]" 1
397 2 6 GLU HA 2 6 GLU QG . . 3.130 2.282 2.030 3.321 0.191 11 0 "[ . 1 . 2]" 1
398 2 6 GLU HA 2 9 ALA H . . 4.050 3.203 3.028 3.481 . 0 0 "[ . 1 . 2]" 1
399 2 6 GLU HA 2 9 ALA MB . . 2.560 2.513 2.322 2.611 0.051 9 0 "[ . 1 . 2]" 1
400 2 6 GLU HA 2 59 LEU QB . . 2.930 2.900 1.974 3.075 0.145 9 0 "[ . 1 . 2]" 1
401 2 6 GLU HA 2 59 LEU QD . . 3.380 2.124 1.818 2.954 . 0 0 "[ . 1 . 2]" 1
402 2 6 GLU QB 2 7 GLU H . . 3.950 2.953 2.743 3.578 . 0 0 "[ . 1 . 2]" 1
403 2 6 GLU QG 2 9 ALA H . . 4.610 4.388 3.794 4.657 0.047 11 0 "[ . 1 . 2]" 1
404 2 6 GLU QG 2 9 ALA MB . . 4.410 2.989 2.458 4.270 . 0 0 "[ . 1 . 2]" 1
405 2 7 GLU H 2 7 GLU QB . . 3.750 2.362 2.032 2.526 . 0 0 "[ . 1 . 2]" 1
406 2 7 GLU H 2 7 GLU QG . . 4.070 2.473 2.043 3.532 . 0 0 "[ . 1 . 2]" 1
407 2 7 GLU H 2 8 ALA MB . . 4.390 4.360 4.304 4.397 0.007 9 0 "[ . 1 . 2]" 1
408 2 7 GLU QB 2 8 ALA H . . 3.930 2.748 2.281 3.506 . 0 0 "[ . 1 . 2]" 1
409 2 7 GLU QB 2 11 LEU QD . . 4.320 3.913 3.351 4.332 0.012 16 0 "[ . 1 . 2]" 1
410 2 8 ALA H 2 9 ALA H . . 4.130 2.554 2.437 2.752 . 0 0 "[ . 1 . 2]" 1
411 2 8 ALA HA 2 11 LEU H . . 4.560 3.476 3.292 3.774 . 0 0 "[ . 1 . 2]" 1
412 2 8 ALA HA 2 11 LEU HG . . 3.890 2.146 1.994 2.597 . 0 0 "[ . 1 . 2]" 1
413 2 8 ALA HA 2 11 LEU QD . . 3.340 2.140 1.933 2.420 . 0 0 "[ . 1 . 2]" 1
414 2 8 ALA MB 2 9 ALA H . . 4.280 2.912 2.866 2.944 . 0 0 "[ . 1 . 2]" 1
415 2 9 ALA H 2 9 ALA MB . . 3.120 2.087 2.030 2.225 . 0 0 "[ . 1 . 2]" 1
416 2 9 ALA H 2 10 LYS H . . 4.260 2.629 2.428 2.813 . 0 0 "[ . 1 . 2]" 1
417 2 9 ALA H 2 11 LEU H . . 4.360 4.088 3.902 4.478 0.118 7 0 "[ . 1 . 2]" 1
418 2 9 ALA H 2 11 LEU HG . . 4.500 4.485 4.375 4.528 0.028 9 0 "[ . 1 . 2]" 1
419 2 9 ALA MB 2 10 LYS H . . 3.340 2.651 2.403 2.952 . 0 0 "[ . 1 . 2]" 1
420 2 10 LYS H 2 10 LYS QB . . 2.770 2.615 2.593 2.625 . 0 0 "[ . 1 . 2]" 1
421 2 10 LYS H 2 10 LYS QG . . 3.750 2.080 1.932 2.229 . 0 0 "[ . 1 . 2]" 1
422 2 10 LYS H 2 11 LEU H . . 3.750 2.661 2.450 2.780 . 0 0 "[ . 1 . 2]" 1
423 2 10 LYS H 2 11 LEU HG . . 4.100 4.034 3.639 4.108 0.008 15 0 "[ . 1 . 2]" 1
424 2 10 LYS H 2 11 LEU QB . . 5.100 4.793 4.511 5.038 . 0 0 "[ . 1 . 2]" 1
425 2 10 LYS H 2 13 GLU QB . . 4.540 4.534 4.411 4.607 0.067 11 0 "[ . 1 . 2]" 1
426 2 10 LYS HA 2 10 LYS QB . . 2.400 2.304 2.292 2.314 . 0 0 "[ . 1 . 2]" 1
427 2 10 LYS HA 2 10 LYS QG . . 2.990 2.521 2.478 2.578 . 0 0 "[ . 1 . 2]" 1
428 2 10 LYS HA 2 13 GLU H . . 3.970 3.094 3.007 3.437 . 0 0 "[ . 1 . 2]" 1
429 2 10 LYS HA 2 13 GLU QB . . 2.910 2.052 1.971 2.372 . 0 0 "[ . 1 . 2]" 1
430 2 10 LYS QB 2 10 LYS QE . . 3.770 2.568 2.120 3.591 . 0 0 "[ . 1 . 2]" 1
431 2 10 LYS QB 2 11 LEU H . . 4.680 2.689 2.241 2.909 . 0 0 "[ . 1 . 2]" 1
432 2 10 LYS QB 2 11 LEU QD . . 4.070 3.288 2.894 3.876 . 0 0 "[ . 1 . 2]" 1
433 2 10 LYS QB 2 13 GLU H . . 4.370 4.405 4.343 4.566 0.196 7 0 "[ . 1 . 2]" 1
434 2 6 GLU QB 2 10 LYS QG . . 4.280 4.172 3.642 4.332 0.052 11 0 "[ . 1 . 2]" 1
435 2 11 LEU H 2 11 LEU HG . . 3.470 2.078 1.921 2.234 . 0 0 "[ . 1 . 2]" 1
436 2 11 LEU H 2 13 GLU H . . 4.440 3.943 3.882 4.003 . 0 0 "[ . 1 . 2]" 1
437 2 11 LEU H 2 13 GLU QB . . 4.630 4.526 4.465 4.599 . 0 0 "[ . 1 . 2]" 1
438 2 11 LEU HA 2 11 LEU QB . . 2.520 2.322 2.161 2.370 . 0 0 "[ . 1 . 2]" 1
439 2 11 LEU QB 2 13 GLU H . . 4.510 4.446 4.350 4.697 0.187 7 0 "[ . 1 . 2]" 1
440 2 11 LEU QD 2 13 GLU H . . 5.500 5.060 4.161 5.237 . 0 0 "[ . 1 . 2]" 1
441 2 12 PHE HB2 2 13 GLU H . . 4.730 2.997 2.863 3.154 . 0 0 "[ . 1 . 2]" 1
442 2 12 PHE HB2 2 13 GLU HA . . 4.650 4.363 4.272 4.615 . 0 0 "[ . 1 . 2]" 1
443 2 12 PHE HB3 2 13 GLU HA . . 4.490 4.502 4.310 4.571 0.081 20 0 "[ . 1 . 2]" 1
444 2 12 PHE HB3 2 15 TRP QB . . 4.430 3.646 3.479 3.930 . 0 0 "[ . 1 . 2]" 1
445 2 12 PHE HB3 2 16 LYS H . . 4.790 4.803 4.745 4.860 0.070 18 0 "[ . 1 . 2]" 1
446 2 13 GLU H 2 13 GLU QB . . 3.520 2.073 2.039 2.184 . 0 0 "[ . 1 . 2]" 1
447 2 13 GLU H 2 13 GLU QG . . 4.380 3.748 3.544 3.972 . 0 0 "[ . 1 . 2]" 1
448 2 13 GLU HA 2 13 GLU QG . . 3.140 2.184 2.032 2.354 . 0 0 "[ . 1 . 2]" 1
449 2 13 GLU HA 2 15 TRP H . . 4.390 4.279 3.991 4.396 0.006 13 0 "[ . 1 . 2]" 1
450 2 13 GLU QB 2 14 GLU H . . 4.010 2.709 2.416 2.924 . 0 0 "[ . 1 . 2]" 1
451 2 13 GLU QG 2 14 GLU H . . 4.680 4.340 3.965 4.576 . 0 0 "[ . 1 . 2]" 1
452 2 14 GLU H 2 14 GLU QB . . 3.350 2.580 2.483 2.639 . 0 0 "[ . 1 . 2]" 1
453 2 14 GLU H 2 14 GLU QG . . 3.420 2.185 2.056 2.348 . 0 0 "[ . 1 . 2]" 1
454 2 14 GLU H 2 15 TRP H . . 3.990 2.493 2.451 2.614 . 0 0 "[ . 1 . 2]" 1
455 2 14 GLU H 2 17 LYS QB . . 4.440 4.349 4.064 4.452 0.012 3 0 "[ . 1 . 2]" 1
456 2 14 GLU HA 2 14 GLU QB . . 2.730 2.303 2.286 2.341 . 0 0 "[ . 1 . 2]" 1
457 2 14 GLU HA 2 14 GLU QG . . 2.820 2.500 2.405 2.540 . 0 0 "[ . 1 . 2]" 1
458 2 14 GLU HA 2 17 LYS H . . 3.690 3.258 3.116 3.403 . 0 0 "[ . 1 . 2]" 1
459 2 14 GLU HA 2 18 LEU H . . 3.910 3.543 3.160 3.837 . 0 0 "[ . 1 . 2]" 1
460 2 14 GLU QB 2 18 LEU H . . 4.180 4.150 3.903 4.226 0.046 18 0 "[ . 1 . 2]" 1
461 2 11 LEU H 2 14 GLU QG . . 4.990 4.952 4.774 5.024 0.034 14 0 "[ . 1 . 2]" 1
462 2 14 GLU QG 2 15 TRP H . . 4.600 3.861 3.779 3.977 . 0 0 "[ . 1 . 2]" 1
463 2 15 TRP H 2 15 TRP QB . . 3.900 2.247 2.087 2.369 . 0 0 "[ . 1 . 2]" 1
464 2 15 TRP H 2 16 LYS H . . 4.090 2.800 2.636 2.931 . 0 0 "[ . 1 . 2]" 1
465 2 16 LYS H 2 17 LYS H . . 4.040 2.470 2.418 2.599 . 0 0 "[ . 1 . 2]" 1
466 2 16 LYS H 2 17 LYS QB . . 4.210 4.187 4.075 4.273 0.063 7 0 "[ . 1 . 2]" 1
467 2 16 LYS HA 2 19 ALA MB . . 4.080 2.600 2.225 2.845 . 0 0 "[ . 1 . 2]" 1
468 2 16 LYS QB 2 17 LYS H . . 4.050 3.264 2.805 3.723 . 0 0 "[ . 1 . 2]" 1
469 2 17 LYS H 2 17 LYS QB . . 3.190 2.126 2.029 2.265 . 0 0 "[ . 1 . 2]" 1
470 2 17 LYS HA 2 17 LYS QG . . 3.380 2.256 2.017 2.543 . 0 0 "[ . 1 . 2]" 1
471 2 17 LYS HA 2 20 GLU H . . 4.770 3.505 3.302 3.734 . 0 0 "[ . 1 . 2]" 1
472 2 17 LYS QB 2 18 LEU H . . 3.440 2.353 2.053 2.576 . 0 0 "[ . 1 . 2]" 1
473 2 17 LYS QB 2 18 LEU HG . . 3.520 3.392 3.045 3.564 0.044 18 0 "[ . 1 . 2]" 1
474 2 17 LYS QB 2 18 LEU QD . . 4.380 3.684 2.713 3.901 . 0 0 "[ . 1 . 2]" 1
475 2 17 LYS QB 2 20 GLU H . . 4.800 4.735 4.629 4.872 0.072 14 0 "[ . 1 . 2]" 1
476 2 17 LYS QE 2 17 LYS QG . . 3.390 2.094 1.947 2.266 . 0 0 "[ . 1 . 2]" 1
477 2 17 LYS QG 2 18 LEU H . . 4.270 4.093 3.497 4.281 0.011 13 0 "[ . 1 . 2]" 1
478 2 18 LEU H 2 18 LEU HG . . 3.940 2.461 1.983 2.939 . 0 0 "[ . 1 . 2]" 1
479 2 18 LEU H 2 18 LEU QB . . 3.310 2.381 2.230 2.595 . 0 0 "[ . 1 . 2]" 1
480 2 18 LEU H 2 18 LEU QD . . 3.870 2.970 2.216 3.294 . 0 0 "[ . 1 . 2]" 1
481 2 18 LEU H 2 19 ALA H . . 4.260 2.727 2.677 2.805 . 0 0 "[ . 1 . 2]" 1
482 2 18 LEU H 2 21 GLU QG . . 5.500 5.155 4.221 5.509 0.009 18 0 "[ . 1 . 2]" 1
483 2 18 LEU QB 2 18 LEU QD . . 2.750 1.823 1.705 1.920 . 0 0 "[ . 1 . 2]" 1
484 2 18 LEU QB 2 19 ALA H . . 3.840 2.778 2.508 2.929 . 0 0 "[ . 1 . 2]" 1
485 2 18 LEU QB 2 19 ALA HA . . 5.050 3.909 3.829 3.955 . 0 0 "[ . 1 . 2]" 1
486 2 18 LEU QB 2 21 GLU QB . . 5.300 4.825 4.399 5.354 0.054 14 0 "[ . 1 . 2]" 1
487 2 18 LEU QD 2 19 ALA H . . 4.350 4.118 3.793 4.286 . 0 0 "[ . 1 . 2]" 1
488 2 19 ALA MB 2 45 ALA MB . . 3.670 2.466 1.736 3.645 . 0 0 "[ . 1 . 2]" 1
489 2 20 GLU H 2 20 GLU QG . . 4.580 3.019 1.964 4.044 . 0 0 "[ . 1 . 2]" 1
490 2 20 GLU H 2 21 GLU QG . . 4.760 4.081 3.499 4.411 . 0 0 "[ . 1 . 2]" 1
491 2 20 GLU H 2 23 ALA MB . . 4.430 4.496 4.404 4.530 0.100 2 0 "[ . 1 . 2]" 1
492 2 20 GLU HA 2 21 GLU QG . . 4.850 4.902 4.873 4.992 0.142 14 0 "[ . 1 . 2]" 1
493 2 20 GLU QB 2 21 GLU H . . 3.640 2.375 2.348 2.410 . 0 0 "[ . 1 . 2]" 1
494 2 20 GLU QB 2 21 GLU QB . . 4.220 4.206 3.967 4.345 0.125 18 0 "[ . 1 . 2]" 1
495 2 20 GLU QG 2 21 GLU H . . 4.080 3.866 3.535 4.064 . 0 0 "[ . 1 . 2]" 1
496 2 21 GLU H 2 21 GLU QB . . 3.700 2.536 2.465 2.634 . 0 0 "[ . 1 . 2]" 1
497 2 21 GLU H 2 21 GLU QG . . 3.420 2.145 1.898 2.327 . 0 0 "[ . 1 . 2]" 1
498 2 21 GLU H 2 23 ALA H . . 4.060 3.913 3.789 4.114 0.054 14 0 "[ . 1 . 2]" 1
499 2 21 GLU HA 2 24 LYS QG . . 3.350 2.077 1.956 2.552 . 0 0 "[ . 1 . 2]" 1
500 2 21 GLU QB 2 22 ALA H . . 4.690 2.601 2.300 3.480 . 0 0 "[ . 1 . 2]" 1
501 2 21 GLU QB 2 25 LEU HG . . 4.070 4.106 4.097 4.132 0.062 18 0 "[ . 1 . 2]" 1
502 2 22 ALA H 2 23 ALA H . . 4.330 2.666 2.431 2.750 . 0 0 "[ . 1 . 2]" 1
503 2 22 ALA H 2 24 LYS QG . . 5.190 4.363 4.084 4.904 . 0 0 "[ . 1 . 2]" 1
504 2 22 ALA MB 2 26 LEU H . . 4.290 4.331 4.304 4.357 0.067 5 0 "[ . 1 . 2]" 1
505 2 23 ALA H 2 23 ALA MB . . 3.630 2.105 2.043 2.140 . 0 0 "[ . 1 . 2]" 1
506 2 23 ALA H 2 24 LYS H . . 4.300 2.668 2.607 2.694 . 0 0 "[ . 1 . 2]" 1
507 2 23 ALA H 2 24 LYS QG . . 4.490 3.747 3.646 4.187 . 0 0 "[ . 1 . 2]" 1
508 2 23 ALA HA 2 26 LEU H . . 4.430 3.543 3.469 3.626 . 0 0 "[ . 1 . 2]" 1
509 2 23 ALA HA 2 26 LEU QB . . 3.860 2.504 2.352 2.681 . 0 0 "[ . 1 . 2]" 1
510 2 23 ALA HA 2 27 GLU H . . 4.330 4.415 4.400 4.444 0.114 1 0 "[ . 1 . 2]" 1
511 2 23 ALA MB 2 24 LYS H . . 3.850 2.459 2.406 2.602 . 0 0 "[ . 1 . 2]" 1
512 2 23 ALA MB 2 26 LEU QB . . 4.600 3.965 3.838 4.117 . 0 0 "[ . 1 . 2]" 1
513 2 24 LYS H 2 24 LYS QB . . 3.560 2.527 2.303 2.592 . 0 0 "[ . 1 . 2]" 1
514 2 24 LYS H 2 24 LYS QG . . 3.820 2.053 1.923 2.541 . 0 0 "[ . 1 . 2]" 1
515 2 24 LYS HA 2 24 LYS QG . . 3.660 3.362 3.340 3.433 . 0 0 "[ . 1 . 2]" 1
516 2 24 LYS QB 2 24 LYS QD . . 2.680 2.199 2.006 2.373 . 0 0 "[ . 1 . 2]" 1
517 2 24 LYS QD 2 25 LEU H . . 4.390 3.802 2.550 4.353 . 0 0 "[ . 1 . 2]" 1
518 2 24 LYS QE 2 24 LYS QG . . 2.920 2.167 1.967 2.373 . 0 0 "[ . 1 . 2]" 1
519 2 24 LYS QG 2 25 LEU H . . 3.780 2.158 2.017 2.249 . 0 0 "[ . 1 . 2]" 1
520 2 24 LYS QG 2 26 LEU H . . 5.440 4.362 4.287 4.456 . 0 0 "[ . 1 . 2]" 1
521 2 25 LEU H 2 25 LEU QB . . 3.440 2.098 2.062 2.179 . 0 0 "[ . 1 . 2]" 1
522 2 25 LEU H 2 25 LEU QD . . 4.290 3.540 3.428 3.601 . 0 0 "[ . 1 . 2]" 1
523 2 25 LEU H 2 26 LEU QB . . 4.870 4.148 4.134 4.168 . 0 0 "[ . 1 . 2]" 1
524 2 25 LEU HB2 2 25 LEU QD . . 2.970 2.245 2.224 2.291 . 0 0 "[ . 1 . 2]" 1
525 2 25 LEU HB3 2 25 LEU QD . . 2.970 2.130 2.106 2.143 . 0 0 "[ . 1 . 2]" 1
526 2 22 ALA HA 2 25 LEU QB . . 4.020 2.628 2.567 2.688 . 0 0 "[ . 1 . 2]" 1
527 2 25 LEU QB 2 25 LEU QD . . 2.520 1.944 1.938 1.952 . 0 0 "[ . 1 . 2]" 1
528 2 22 ALA HA 2 25 LEU QD . . 3.730 3.364 3.260 3.444 . 0 0 "[ . 1 . 2]" 1
529 2 25 LEU QD 2 28 GLY QA . . 3.090 3.217 3.191 3.280 0.190 18 0 "[ . 1 . 2]" 1
530 2 22 ALA HA 2 26 LEU H . . 4.880 3.644 3.575 3.718 . 0 0 "[ . 1 . 2]" 1
531 2 22 ALA HA 2 26 LEU HG . . 4.340 4.012 3.893 4.133 . 0 0 "[ . 1 . 2]" 1
532 2 26 LEU HG 2 27 GLU H . . 5.430 4.836 4.816 4.879 . 0 0 "[ . 1 . 2]" 1
533 2 26 LEU QB 2 28 GLY H . . 4.790 4.226 4.193 4.289 . 0 0 "[ . 1 . 2]" 1
534 2 27 GLU H 2 27 GLU QB . . 3.810 2.518 2.095 2.712 . 0 0 "[ . 1 . 2]" 1
535 2 27 GLU H 2 27 GLU QG . . 4.290 2.519 2.102 4.085 . 0 0 "[ . 1 . 2]" 1
536 2 27 GLU H 2 28 GLY H . . 3.580 2.494 2.231 2.590 . 0 0 "[ . 1 . 2]" 1
537 2 27 GLU HA 2 27 GLU QG . . 3.170 2.631 2.165 3.334 0.164 11 0 "[ . 1 . 2]" 1
538 2 27 GLU QB 2 28 GLY H . . 4.320 3.504 3.177 3.721 . 0 0 "[ . 1 . 2]" 1
539 2 27 GLU QB 2 29 GLY H . . 4.090 3.810 2.571 4.275 0.185 16 0 "[ . 1 . 2]" 1
540 2 27 GLU QB 2 29 GLY QA . . 5.050 4.716 3.580 5.240 0.190 15 0 "[ . 1 . 2]" 1
541 2 27 GLU QB 2 30 GLY H . . 5.080 4.286 2.068 5.098 0.018 15 0 "[ . 1 . 2]" 1
542 2 28 GLY H 2 29 GLY H . . 3.800 2.754 2.610 3.661 . 0 0 "[ . 1 . 2]" 1
543 2 28 GLY H 2 30 GLY H . . 4.390 4.252 3.841 4.429 0.039 18 0 "[ . 1 . 2]" 1
544 2 29 GLY QA 2 30 GLY H . . 3.260 2.710 2.586 2.877 . 0 0 "[ . 1 . 2]" 1
545 2 30 GLY H 2 31 GLY H . . 3.570 2.776 1.995 3.628 0.058 18 0 "[ . 1 . 2]" 1
546 2 30 GLY QA 2 31 GLY H . . 2.800 2.469 2.126 2.807 0.007 13 0 "[ . 1 . 2]" 1
547 2 31 GLY QA 2 32 GLY H . . 2.920 2.328 2.113 2.846 . 0 0 "[ . 1 . 2]" 1
548 2 32 GLY QA 2 33 GLY H . . 3.330 2.234 2.113 2.820 . 0 0 "[ . 1 . 2]" 1
549 2 33 GLY H 2 37 LEU QD . . 3.910 3.468 1.948 3.993 0.083 18 0 "[ . 1 . 2]" 1
550 2 33 GLY QA 2 34 GLY H . . 3.450 2.442 2.112 2.850 . 0 0 "[ . 1 . 2]" 1
551 2 34 GLY QA 2 35 GLY H . . 3.400 2.399 2.113 2.875 . 0 0 "[ . 1 . 2]" 1
552 2 35 GLY QA 2 36 GLU QB . . 4.550 4.109 3.863 4.381 . 0 0 "[ . 1 . 2]" 1
553 2 35 GLY QA 2 37 LEU H . . 5.140 3.546 3.056 3.962 . 0 0 "[ . 1 . 2]" 1
554 2 35 GLY QA 2 37 LEU QB . . 4.460 4.325 3.832 4.573 0.113 18 0 "[ . 1 . 2]" 1
555 2 36 GLU H 2 36 GLU QB . . 3.640 2.264 2.206 2.633 . 0 0 "[ . 1 . 2]" 1
556 2 36 GLU H 2 36 GLU QG . . 4.050 3.718 2.060 3.988 . 0 0 "[ . 1 . 2]" 1
557 2 36 GLU H 2 37 LEU H . . 4.390 2.645 2.436 2.773 . 0 0 "[ . 1 . 2]" 1
558 2 36 GLU HA 2 36 GLU QG . . 3.220 2.638 2.452 3.319 0.099 9 0 "[ . 1 . 2]" 1
559 2 36 GLU QB 2 36 GLU QG . . 2.400 2.072 2.000 2.091 . 0 0 "[ . 1 . 2]" 1
560 2 36 GLU QB 2 37 LEU H . . 3.840 2.889 2.300 3.734 . 0 0 "[ . 1 . 2]" 1
561 2 36 GLU QG 2 37 LEU H . . 3.620 3.486 2.441 3.664 0.044 11 0 "[ . 1 . 2]" 1
562 2 36 GLU QG 2 39 LYS H . . 5.500 4.513 4.028 5.391 . 0 0 "[ . 1 . 2]" 1
563 2 37 LEU H 2 37 LEU QD . . 4.190 3.460 1.883 3.730 . 0 0 "[ . 1 . 2]" 1
564 2 37 LEU H 2 38 MET H . . 4.580 2.824 2.644 2.974 . 0 0 "[ . 1 . 2]" 1
565 2 37 LEU HG 2 38 MET H . . 3.640 3.189 2.014 3.639 . 0 0 "[ . 1 . 2]" 1
566 2 37 LEU HG 2 39 LYS H . . 5.360 5.154 4.497 5.466 0.106 11 0 "[ . 1 . 2]" 1
567 2 36 GLU QB 2 37 LEU QB . . 5.500 4.345 3.809 5.120 . 0 0 "[ . 1 . 2]" 1
568 2 38 MET H 2 38 MET ME . . 4.470 4.151 3.807 4.467 . 0 0 "[ . 1 . 2]" 1
569 2 38 MET H 2 39 LYS H . . 4.030 2.579 2.487 2.713 . 0 0 "[ . 1 . 2]" 1
570 2 38 MET HA 2 38 MET ME . . 3.830 3.402 1.918 3.832 0.002 12 0 "[ . 1 . 2]" 1
571 2 38 MET QB 2 39 LYS H . . 3.350 2.813 2.556 3.014 . 0 0 "[ . 1 . 2]" 1
572 2 38 MET QG 2 40 LEU H . . 4.850 4.816 4.571 4.872 0.022 12 0 "[ . 1 . 2]" 1
573 2 38 MET QG 2 41 CYS H . . 4.740 4.167 3.711 4.752 0.012 14 0 "[ . 1 . 2]" 1
574 2 39 LYS H 2 39 LYS HB2 . . 3.770 2.366 2.073 2.683 . 0 0 "[ . 1 . 2]" 1
575 2 39 LYS H 2 39 LYS HB3 . . 3.770 2.707 2.369 3.135 . 0 0 "[ . 1 . 2]" 1
576 2 39 LYS H 2 39 LYS QB . . 2.960 2.191 2.045 2.248 . 0 0 "[ . 1 . 2]" 1
577 2 39 LYS H 2 40 LEU H . . 3.840 2.714 2.601 2.751 . 0 0 "[ . 1 . 2]" 1
578 2 39 LYS H 2 40 LEU HB2 . . 4.850 4.608 4.412 4.823 . 0 0 "[ . 1 . 2]" 1
579 2 39 LYS HA 2 43 GLU H . . 4.930 4.661 4.283 4.970 0.040 18 0 "[ . 1 . 2]" 1
580 2 36 GLU QG 2 39 LYS QD . . 3.920 3.398 2.464 3.940 0.020 13 0 "[ . 1 . 2]" 1
581 2 39 LYS QE 2 39 LYS QG . . 3.410 2.095 1.951 2.236 . 0 0 "[ . 1 . 2]" 1
582 2 39 LYS QG 2 42 GLU H . . 4.830 4.664 3.837 4.839 0.009 14 0 "[ . 1 . 2]" 1
583 2 40 LEU H 2 40 LEU HB2 . . 3.890 2.155 2.043 2.311 . 0 0 "[ . 1 . 2]" 1
584 2 40 LEU H 2 40 LEU HB3 . . 3.900 3.443 3.309 3.561 . 0 0 "[ . 1 . 2]" 1
585 2 40 LEU H 2 40 LEU HG . . 3.470 3.122 2.654 3.630 0.160 12 0 "[ . 1 . 2]" 1
586 2 40 LEU H 2 40 LEU QD . . 3.960 3.372 2.015 3.603 . 0 0 "[ . 1 . 2]" 1
587 2 40 LEU H 2 41 CYS H . . 4.480 2.696 2.491 2.991 . 0 0 "[ . 1 . 2]" 1
588 2 40 LEU H 2 43 GLU QG . . 5.020 4.570 4.025 4.971 . 0 0 "[ . 1 . 2]" 1
589 2 40 LEU HA 2 43 GLU QG . . 3.680 2.447 1.977 3.029 . 0 0 "[ . 1 . 2]" 1
590 2 40 LEU HB2 2 41 CYS H . . 3.700 2.839 2.334 3.223 . 0 0 "[ . 1 . 2]" 1
591 2 40 LEU QD 2 41 CYS H . . 4.260 4.025 3.732 4.263 0.003 15 0 "[ . 1 . 2]" 1
592 2 41 CYS H 2 43 GLU QG . . 4.740 4.621 4.380 4.756 0.016 2 0 "[ . 1 . 2]" 1
593 2 42 GLU H 2 42 GLU QB . . 3.730 2.171 2.036 2.265 . 0 0 "[ . 1 . 2]" 1
594 2 42 GLU H 2 43 GLU H . . 3.470 2.650 2.480 2.740 . 0 0 "[ . 1 . 2]" 1
595 2 42 GLU HA 2 42 GLU QG . . 3.040 2.315 2.066 2.544 . 0 0 "[ . 1 . 2]" 1
596 2 42 GLU QB 2 43 GLU H . . 4.000 2.933 2.895 2.992 . 0 0 "[ . 1 . 2]" 1
597 2 42 GLU QG 2 43 GLU H . . 4.670 4.209 3.725 4.604 . 0 0 "[ . 1 . 2]" 1
598 2 43 GLU H 2 43 GLU QB . . 3.160 2.490 2.344 2.567 . 0 0 "[ . 1 . 2]" 1
599 2 43 GLU H 2 43 GLU QG . . 4.130 2.203 1.956 2.468 . 0 0 "[ . 1 . 2]" 1
600 2 43 GLU H 2 46 LYS QB . . 4.580 4.557 4.336 4.628 0.048 18 0 "[ . 1 . 2]" 1
601 2 43 GLU QB 2 44 ALA MB . . 4.460 4.094 3.804 4.266 . 0 0 "[ . 1 . 2]" 1
602 2 43 GLU QB 2 46 LYS H . . 4.340 4.350 4.247 4.453 0.113 14 0 "[ . 1 . 2]" 1
603 2 43 GLU QB 2 47 LYS H . . 4.270 4.105 3.846 4.277 0.007 14 0 "[ . 1 . 2]" 1
604 2 43 GLU QB 2 47 LYS QG . . 4.680 3.829 2.855 4.649 . 0 0 "[ . 1 . 2]" 1
605 2 40 LEU QD 2 43 GLU QG . . 3.140 2.968 2.420 3.151 0.011 2 0 "[ . 1 . 2]" 1
606 2 43 GLU QG 2 44 ALA H . . 4.850 4.097 3.930 4.288 . 0 0 "[ . 1 . 2]" 1
607 2 44 ALA H 2 45 ALA H . . 4.830 2.843 2.823 2.877 . 0 0 "[ . 1 . 2]" 1
608 2 44 ALA H 2 45 ALA MB . . 4.440 4.452 4.436 4.477 0.037 18 0 "[ . 1 . 2]" 1
609 2 44 ALA H 2 46 LYS QB . . 5.450 4.597 4.494 4.682 . 0 0 "[ . 1 . 2]" 1
610 2 44 ALA MB 2 45 ALA H . . 3.880 2.593 2.447 2.683 . 0 0 "[ . 1 . 2]" 1
611 2 44 ALA MB 2 47 LYS H . . 4.890 4.888 4.795 4.927 0.037 17 0 "[ . 1 . 2]" 1
612 2 45 ALA H 2 45 ALA MB . . 2.910 2.058 2.047 2.079 . 0 0 "[ . 1 . 2]" 1
613 2 45 ALA H 2 46 LYS H . . 3.420 2.463 2.453 2.502 . 0 0 "[ . 1 . 2]" 1
614 2 45 ALA MB 2 46 LYS H . . 4.270 2.997 2.968 3.008 . 0 0 "[ . 1 . 2]" 1
615 2 46 LYS H 2 46 LYS QB . . 3.810 2.075 2.036 2.226 . 0 0 "[ . 1 . 2]" 1
616 2 46 LYS H 2 46 LYS QG . . 3.870 3.596 3.422 3.914 0.044 12 0 "[ . 1 . 2]" 1
617 2 46 LYS H 2 47 LYS H . . 4.050 2.586 2.486 2.689 . 0 0 "[ . 1 . 2]" 1
618 2 46 LYS H 2 47 LYS QB . . 4.560 4.396 4.211 4.557 . 0 0 "[ . 1 . 2]" 1
619 2 46 LYS HA 2 50 GLU H . . 4.830 4.355 3.834 4.835 0.005 18 0 "[ . 1 . 2]" 1
620 2 46 LYS QB 2 46 LYS QE . . 4.420 3.347 2.332 3.724 . 0 0 "[ . 1 . 2]" 1
621 2 47 LYS H 2 47 LYS HA . . 2.860 2.821 2.773 2.861 0.001 18 0 "[ . 1 . 2]" 1
622 2 47 LYS H 2 47 LYS QB . . 2.940 2.243 2.052 2.474 . 0 0 "[ . 1 . 2]" 1
623 2 47 LYS H 2 47 LYS QG . . 3.990 2.935 2.086 3.575 . 0 0 "[ . 1 . 2]" 1
624 2 47 LYS H 2 48 ALA H . . 3.970 2.724 2.471 2.968 . 0 0 "[ . 1 . 2]" 1
625 2 47 LYS H 2 48 ALA MB . . 4.440 4.303 4.074 4.461 0.021 16 0 "[ . 1 . 2]" 1
626 2 47 LYS H 2 50 GLU H . . 4.870 4.722 4.451 4.887 0.017 18 0 "[ . 1 . 2]" 1
627 2 47 LYS HA 2 50 GLU QB . . 2.900 2.596 1.981 2.913 0.013 9 0 "[ . 1 . 2]" 1
628 2 47 LYS QB 2 48 ALA H . . 3.810 2.478 2.246 2.850 . 0 0 "[ . 1 . 2]" 1
629 2 47 LYS QB 2 50 GLU H . . 4.830 4.743 4.585 4.837 0.007 17 0 "[ . 1 . 2]" 1
630 2 47 LYS QG 2 48 ALA H . . 4.460 4.237 3.888 4.465 0.005 20 0 "[ . 1 . 2]" 1
631 2 48 ALA H 2 48 ALA MB . . 3.410 2.147 2.026 2.241 . 0 0 "[ . 1 . 2]" 1
632 2 48 ALA MB 2 49 GLU H . . 4.320 2.642 2.361 2.927 . 0 0 "[ . 1 . 2]" 1
633 2 49 GLU H 2 49 GLU QB . . 3.620 2.220 2.083 2.258 . 0 0 "[ . 1 . 2]" 1
634 2 49 GLU H 2 49 GLU QG . . 4.550 3.894 3.028 4.045 . 0 0 "[ . 1 . 2]" 1
635 2 49 GLU H 2 50 GLU H . . 4.080 2.562 2.427 2.738 . 0 0 "[ . 1 . 2]" 1
636 2 49 GLU HA 2 49 GLU QB . . 2.640 2.392 2.301 2.520 . 0 0 "[ . 1 . 2]" 1
637 2 50 GLU H 2 50 GLU QB . . 3.000 2.167 2.043 2.281 . 0 0 "[ . 1 . 2]" 1
638 2 50 GLU H 2 51 LEU H . . 3.550 2.622 2.468 2.873 . 0 0 "[ . 1 . 2]" 1
639 2 50 GLU H 2 51 LEU HG . . 5.400 4.334 3.681 5.401 0.001 16 0 "[ . 1 . 2]" 1
640 2 50 GLU QB 2 51 LEU H . . 4.090 2.599 2.331 2.928 . 0 0 "[ . 1 . 2]" 1
641 2 51 LEU H 2 51 LEU HG . . 4.220 2.378 1.946 3.174 . 0 0 "[ . 1 . 2]" 1
642 2 51 LEU H 2 51 LEU QB . . 3.520 2.438 2.104 2.651 . 0 0 "[ . 1 . 2]" 1
643 2 51 LEU H 2 51 LEU QD . . 3.370 2.997 2.656 3.371 0.001 16 0 "[ . 1 . 2]" 1
644 2 51 LEU H 2 52 PHE H . . 3.960 2.566 2.485 2.768 . 0 0 "[ . 1 . 2]" 1
645 2 51 LEU QB 2 51 LEU QD . . 2.720 1.802 1.718 1.925 . 0 0 "[ . 1 . 2]" 1
646 2 12 PHE QB 2 51 LEU QD . . 3.740 3.395 2.489 3.762 0.022 11 0 "[ . 1 . 2]" 1
647 2 48 ALA H 2 51 LEU QD . . 4.520 3.742 3.071 4.521 0.001 20 0 "[ . 1 . 2]" 1
648 2 51 LEU QD 2 52 PHE H . . 4.450 3.249 2.361 4.241 . 0 0 "[ . 1 . 2]" 1
649 2 52 PHE H 2 53 LYS H . . 4.290 2.679 2.534 2.754 . 0 0 "[ . 1 . 2]" 1
650 2 53 LYS H 2 53 LYS QB . . 3.710 2.184 2.042 2.492 . 0 0 "[ . 1 . 2]" 1
651 2 53 LYS H 2 53 LYS QD . . 3.900 3.669 2.651 4.096 0.196 12 0 "[ . 1 . 2]" 1
652 2 53 LYS H 2 53 LYS QG . . 4.270 3.635 2.076 4.055 . 0 0 "[ . 1 . 2]" 1
653 2 53 LYS H 2 54 LEU H . . 4.420 2.821 2.463 2.993 . 0 0 "[ . 1 . 2]" 1
654 2 53 LYS HA 2 53 LYS QG . . 3.890 2.502 2.028 3.344 . 0 0 "[ . 1 . 2]" 1
655 2 53 LYS QB 2 54 LEU H . . 4.680 2.402 2.130 3.382 . 0 0 "[ . 1 . 2]" 1
656 2 53 LYS QB 2 55 ALA H . . 4.450 4.350 4.165 4.664 0.214 12 0 "[ . 1 . 2]" 1
657 2 53 LYS QD 2 53 LYS QG . . 2.470 2.059 2.010 2.097 . 0 0 "[ . 1 . 2]" 1
658 2 53 LYS QE 2 53 LYS QG . . 3.350 2.159 1.966 2.347 . 0 0 "[ . 1 . 2]" 1
659 2 53 LYS QG 2 54 LEU H . . 4.490 3.836 2.072 4.497 0.007 9 0 "[ . 1 . 2]" 1
660 2 54 LEU H 2 54 LEU QB . . 3.850 2.123 2.027 2.476 . 0 0 "[ . 1 . 2]" 1
661 2 54 LEU H 2 55 ALA H . . 3.880 2.529 2.447 2.724 . 0 0 "[ . 1 . 2]" 1
662 2 54 LEU QB 2 55 ALA H . . 4.100 2.895 2.616 3.029 . 0 0 "[ . 1 . 2]" 1
663 2 54 LEU QB 2 56 GLU H . . 4.750 4.613 4.426 4.777 0.027 9 0 "[ . 1 . 2]" 1
664 2 54 LEU QD 2 55 ALA H . . 4.670 4.078 3.824 4.319 . 0 0 "[ . 1 . 2]" 1
665 2 54 LEU QD 2 57 GLU H . . 4.490 4.091 3.273 4.498 0.008 11 0 "[ . 1 . 2]" 1
666 2 55 ALA H 2 56 GLU H . . 4.490 2.701 2.510 2.774 . 0 0 "[ . 1 . 2]" 1
667 2 55 ALA HA 2 58 ARG H . . 4.930 3.548 3.225 3.774 . 0 0 "[ . 1 . 2]" 1
668 2 55 ALA HA 2 58 ARG QB . . 4.620 3.934 2.550 4.694 0.074 20 0 "[ . 1 . 2]" 1
669 2 55 ALA MB 2 56 GLU H . . 4.170 2.793 2.590 2.973 . 0 0 "[ . 1 . 2]" 1
670 2 55 ALA MB 2 56 GLU HB2 . . 5.110 4.826 4.145 5.197 0.087 20 0 "[ . 1 . 2]" 1
671 2 56 GLU H 2 56 GLU HB2 . . 3.770 2.835 2.546 3.619 . 0 0 "[ . 1 . 2]" 1
672 2 56 GLU H 2 56 GLU QB . . 3.420 2.484 2.158 2.694 . 0 0 "[ . 1 . 2]" 1
673 2 56 GLU H 2 56 GLU QG . . 3.800 2.692 1.898 3.971 0.171 9 0 "[ . 1 . 2]" 1
674 2 56 GLU H 2 57 GLU H . . 3.860 2.583 2.415 2.764 . 0 0 "[ . 1 . 2]" 1
675 2 56 GLU H 2 58 ARG QD . . 4.690 4.693 4.536 4.777 0.087 18 0 "[ . 1 . 2]" 1
676 2 56 GLU H 2 59 LEU QB . . 4.460 4.407 4.120 4.721 0.261 19 0 "[ . 1 . 2]" 1
677 2 56 GLU H 2 60 LYS QG . . 5.040 5.151 5.048 5.286 0.246 19 0 "[ . 1 . 2]" 1
678 2 56 GLU HA 2 60 LYS H . . 5.240 3.009 1.865 4.418 . 0 0 "[ . 1 . 2]" 1
679 2 56 GLU HB3 2 56 GLU QG . . 2.780 2.379 2.174 2.520 . 0 0 "[ . 1 . 2]" 1
680 2 56 GLU QG 2 57 GLU H . . 3.650 3.518 2.177 3.833 0.183 16 0 "[ . 1 . 2]" 1
681 2 57 GLU H 2 57 GLU QB . . 3.310 2.268 2.232 2.493 . 0 0 "[ . 1 . 2]" 1
682 2 57 GLU H 2 58 ARG H . . 4.440 2.716 2.580 2.973 . 0 0 "[ . 1 . 2]" 1
683 2 57 GLU H 2 58 ARG QD . . 4.210 3.998 3.483 4.445 0.235 14 0 "[ . 1 . 2]" 1
684 2 57 GLU H 2 59 LEU H . . 3.800 3.722 3.539 3.858 0.058 9 0 "[ . 1 . 2]" 1
685 2 57 GLU HA 2 57 GLU QB . . 2.410 2.373 2.309 2.407 . 0 0 "[ . 1 . 2]" 1
686 2 57 GLU QB 2 58 ARG H . . 3.480 2.398 2.225 2.629 . 0 0 "[ . 1 . 2]" 1
687 2 58 ARG H 2 59 LEU H . . 3.860 2.427 2.382 2.586 . 0 0 "[ . 1 . 2]" 1
688 2 58 ARG HA 2 58 ARG QG . . 3.430 2.919 2.301 3.413 . 0 0 "[ . 1 . 2]" 1
689 2 58 ARG QD 2 59 LEU H . . 5.070 3.968 2.419 4.599 . 0 0 "[ . 1 . 2]" 1
690 2 59 LEU H 2 59 LEU QB . . 3.550 2.284 2.080 2.594 . 0 0 "[ . 1 . 2]" 1
691 2 59 LEU H 2 59 LEU QD . . 4.200 3.347 2.301 3.926 . 0 0 "[ . 1 . 2]" 1
692 2 59 LEU H 2 60 LYS QD . . 4.660 4.482 4.067 4.796 0.136 16 0 "[ . 1 . 2]" 1
693 2 59 LEU H 2 60 LYS QG . . 4.250 4.195 3.418 4.503 0.253 20 0 "[ . 1 . 2]" 1
694 2 59 LEU HA 2 59 LEU QD . . 3.630 2.157 1.947 2.345 . 0 0 "[ . 1 . 2]" 1
695 2 59 LEU QB 2 60 LYS H . . 3.850 2.229 1.869 3.860 0.010 19 0 "[ . 1 . 2]" 1
696 2 59 LEU QB 2 60 LYS HA . . 4.330 4.163 3.839 4.410 0.080 12 0 "[ . 1 . 2]" 1
697 2 60 LYS H 2 60 LYS QG . . 4.320 2.111 1.820 3.479 . 0 0 "[ . 1 . 2]" 1
698 2 60 LYS QB 2 61 LYS H . . 3.740 2.070 1.893 2.983 . 0 0 "[ . 1 . 2]" 1
699 2 60 LYS QG 2 61 LYS H . . 3.860 3.002 1.863 3.960 0.100 16 0 "[ . 1 . 2]" 1
700 2 61 LYS H 2 61 LYS QB . . 3.820 2.783 2.293 3.432 . 0 0 "[ . 1 . 2]" 1
701 2 61 LYS H 2 62 LEU H . . 3.900 2.835 1.849 3.951 0.051 13 0 "[ . 1 . 2]" 1
702 2 61 LYS HA 2 61 LYS QG . . 3.510 2.571 2.008 3.402 . 0 0 "[ . 1 . 2]" 1
703 2 62 LEU H 2 62 LEU QB . . 3.860 2.746 2.021 3.376 . 0 0 "[ . 1 . 2]" 1
704 2 62 LEU HA 2 62 LEU QB . . 2.660 2.419 2.161 2.535 . 0 0 "[ . 1 . 2]" 1
705 2 56 GLU HB3 2 62 LEU HG . . 3.600 3.380 2.593 3.750 0.150 20 0 "[ . 1 . 2]" 1
706 2 62 LEU QB 2 62 LEU QD . . 2.750 1.887 1.774 1.996 . 0 0 "[ . 1 . 2]" 1
707 2 56 GLU H 2 62 LEU QD . . 5.310 4.234 3.394 5.148 . 0 0 "[ . 1 . 2]" 1
708 2 56 GLU HB2 2 62 LEU QD . . 4.550 2.862 1.907 4.529 . 0 0 "[ . 1 . 2]" 1
709 2 56 GLU HB3 2 62 LEU QD . . 3.380 2.743 2.046 3.391 0.011 10 0 "[ . 1 . 2]" 1
710 2 56 GLU QG 2 62 LEU QD . . 3.350 2.939 2.080 3.385 0.035 20 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 20
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 LYS 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 1 7 GLU O 1 11 LEU N . 2.680 . 3.633 3.051 4.186 . 0 0 "[ . 1 . 2]" 2
2 1 13 GLU O 1 17 LYS N . 2.680 . 3.106 2.746 3.421 . 0 0 "[ . 1 . 2]" 2
3 1 17 LYS O 1 21 GLU N . 2.680 . 3.485 3.304 4.243 . 0 0 "[ . 1 . 2]" 2
4 1 21 GLU O 1 25 LEU N . 2.680 . 2.861 2.748 3.195 . 0 0 "[ . 1 . 2]" 2
5 1 24 LYS O 1 28 GLY N . 2.680 . 3.174 3.010 3.284 . 0 0 "[ . 1 . 2]" 2
6 1 39 LYS O 1 43 GLU N . 2.680 . 3.406 2.917 3.908 . 0 0 "[ . 1 . 2]" 2
7 1 43 GLU O 1 47 LYS N . 2.680 . 2.830 2.748 3.002 . 0 0 "[ . 1 . 2]" 2
8 1 42 GLU O 1 46 LYS N . 2.680 . 3.467 3.146 3.912 . 0 0 "[ . 1 . 2]" 2
9 1 54 LEU O 1 58 ARG N . 2.680 . 3.634 3.182 4.158 . 0 0 "[ . 1 . 2]" 2
10 1 57 GLU O 1 61 LYS N . 2.680 . 4.911 3.212 7.740 . 0 0 "[ . 1 . 2]" 2
11 2 7 GLU O 2 11 LEU N . 2.680 . 3.658 3.032 4.167 . 0 0 "[ . 1 . 2]" 2
12 2 13 GLU O 2 17 LYS N . 2.680 . 3.114 2.749 3.372 . 0 0 "[ . 1 . 2]" 2
13 2 17 LYS O 2 21 GLU N . 2.680 . 3.521 3.195 4.054 . 0 0 "[ . 1 . 2]" 2
14 2 21 GLU O 2 25 LEU N . 2.680 . 2.862 2.748 3.199 . 0 0 "[ . 1 . 2]" 2
15 2 24 LYS O 2 28 GLY N . 2.680 . 3.167 2.952 3.290 . 0 0 "[ . 1 . 2]" 2
16 2 39 LYS O 2 43 GLU N . 2.680 . 3.428 2.968 3.851 . 0 0 "[ . 1 . 2]" 2
17 2 43 GLU O 2 47 LYS N . 2.680 . 2.849 2.752 3.094 . 0 0 "[ . 1 . 2]" 2
18 2 42 GLU O 2 46 LYS N . 2.680 . 3.468 2.968 3.842 . 0 0 "[ . 1 . 2]" 2
19 2 54 LEU O 2 58 ARG N . 2.680 . 3.648 3.190 4.114 . 0 0 "[ . 1 . 2]" 2
20 2 57 GLU O 2 61 LYS N . 2.680 . 4.889 3.035 7.739 . 0 0 "[ . 1 . 2]" 2
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