NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653761 |
6llq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6llq
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 726
_Distance_constraint_stats_list.Viol_count 230
_Distance_constraint_stats_list.Viol_total 215.217
_Distance_constraint_stats_list.Viol_max 0.270
_Distance_constraint_stats_list.Viol_rms 0.0091
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0468
_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 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.002 0.002 17 0 "[ . 1 . 2]"
1 4 VAL 0.512 0.166 18 0 "[ . 1 . 2]"
1 5 VAL 0.261 0.083 9 0 "[ . 1 . 2]"
1 6 VAL 0.003 0.003 16 0 "[ . 1 . 2]"
1 7 VAL 0.909 0.065 17 0 "[ . 1 . 2]"
1 8 THR 0.239 0.075 20 0 "[ . 1 . 2]"
1 9 SER 0.415 0.065 17 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.008 0.005 18 0 "[ . 1 . 2]"
1 13 LYS 0.005 0.005 18 0 "[ . 1 . 2]"
1 14 GLU 0.203 0.057 18 0 "[ . 1 . 2]"
1 15 GLU 2.378 0.219 2 0 "[ . 1 . 2]"
1 16 VAL 0.204 0.040 18 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.013 0.009 5 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.341 0.166 18 0 "[ . 1 . 2]"
1 24 GLU 0.051 0.040 18 0 "[ . 1 . 2]"
1 25 VAL 0.682 0.083 9 0 "[ . 1 . 2]"
1 26 ARG 0.965 0.247 16 0 "[ . 1 . 2]"
1 27 VAL 0.276 0.140 16 0 "[ . 1 . 2]"
1 28 VAL 0.255 0.066 13 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.745 0.214 4 0 "[ . 1 . 2]"
1 31 GLU 0.421 0.214 4 0 "[ . 1 . 2]"
1 32 GLU 0.113 0.039 11 0 "[ . 1 . 2]"
1 33 ASP 0.092 0.052 13 0 "[ . 1 . 2]"
1 34 ALA 0.034 0.014 6 0 "[ . 1 . 2]"
1 35 LYS 0.292 0.054 17 0 "[ . 1 . 2]"
1 36 GLN 0.024 0.018 17 0 "[ . 1 . 2]"
1 37 VAL 0.104 0.076 17 0 "[ . 1 . 2]"
1 38 VAL 0.395 0.102 3 0 "[ . 1 . 2]"
1 39 LYS 0.430 0.102 3 0 "[ . 1 . 2]"
1 40 GLU 0.131 0.043 13 0 "[ . 1 . 2]"
1 41 VAL 0.219 0.074 6 0 "[ . 1 . 2]"
1 42 GLN 0.149 0.074 6 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.016 0.016 8 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.016 0.016 8 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.278 0.109 18 0 "[ . 1 . 2]"
1 50 VAL 0.170 0.057 16 0 "[ . 1 . 2]"
1 51 VAL 0.414 0.239 15 0 "[ . 1 . 2]"
1 52 VAL 0.080 0.042 1 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 1.267 0.239 15 0 "[ . 1 . 2]"
1 55 SER 0.105 0.076 17 0 "[ . 1 . 2]"
1 56 GLU 0.002 0.002 13 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.002 0.002 13 0 "[ . 1 . 2]"
1 59 VAL 1.249 0.270 13 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.179 0.054 17 0 "[ . 1 . 2]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.028 0.009 4 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLN 0.009 0.009 3 0 "[ . 1 . 2]"
1 70 VAL 0.021 0.012 19 0 "[ . 1 . 2]"
1 71 TYR 0.072 0.028 16 0 "[ . 1 . 2]"
1 72 ARG 0.248 0.057 16 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.039 0.028 10 0 "[ . 1 . 2]"
1 79 VAL 0.080 0.042 1 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.021 0.021 8 0 "[ . 1 . 2]"
1 83 VAL 0.052 0.033 17 0 "[ . 1 . 2]"
1 84 LYS 1.467 0.089 4 0 "[ . 1 . 2]"
1 85 ASP 1.466 0.089 4 0 "[ . 1 . 2]"
1 86 VAL 0.002 0.002 17 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 HIS 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 28 VAL H 1 28 VAL HB . . 3.910 3.619 2.793 3.844 . 0 0 "[ . 1 . 2]" 1
2 1 27 VAL HA 1 28 VAL H . . 3.060 2.163 2.152 2.174 . 0 0 "[ . 1 . 2]" 1
3 1 28 VAL H 1 28 VAL MG1 . . 4.190 2.906 2.580 3.926 . 0 0 "[ . 1 . 2]" 1
4 1 72 ARG H 1 72 ARG QG . . 3.880 3.039 1.967 3.922 0.042 20 0 "[ . 1 . 2]" 1
5 1 72 ARG H 1 72 ARG QB . . 3.710 2.521 2.237 2.895 . 0 0 "[ . 1 . 2]" 1
6 1 50 VAL MG1 1 72 ARG H . . 4.450 4.329 4.090 4.507 0.057 16 0 "[ . 1 . 2]" 1
7 1 4 VAL H 1 4 VAL HB . . 3.900 2.757 2.715 2.844 . 0 0 "[ . 1 . 2]" 1
8 1 51 VAL HA 1 52 VAL H . . 3.020 2.248 2.205 2.267 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL HA 1 4 VAL H . . 3.320 2.264 2.240 2.301 . 0 0 "[ . 1 . 2]" 1
10 1 52 VAL H 1 52 VAL HB . . 3.670 2.812 2.688 2.992 . 0 0 "[ . 1 . 2]" 1
11 1 6 VAL HB 1 52 VAL H . . 4.670 3.558 3.420 3.730 . 0 0 "[ . 1 . 2]" 1
12 1 51 VAL HB 1 52 VAL H . . 4.810 2.875 2.741 4.146 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL MG2 1 4 VAL H . . 4.100 3.110 1.906 3.974 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL H 1 4 VAL MG2 . . 4.400 2.881 2.710 2.983 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL MG1 1 4 VAL H . . 4.100 3.328 1.958 3.954 . 0 0 "[ . 1 . 2]" 1
16 1 56 GLU H 1 56 GLU QB . . 3.850 2.544 2.227 2.584 . 0 0 "[ . 1 . 2]" 1
17 1 23 VAL HA 1 24 GLU H . . 3.030 2.446 2.338 2.482 . 0 0 "[ . 1 . 2]" 1
18 1 55 SER HA 1 56 GLU H . . 3.510 2.213 2.150 2.257 . 0 0 "[ . 1 . 2]" 1
19 1 56 GLU H 1 56 GLU QG . . 4.590 2.081 1.939 3.938 . 0 0 "[ . 1 . 2]" 1
20 1 24 GLU H 1 24 GLU QG . . 4.760 3.246 2.497 4.016 . 0 0 "[ . 1 . 2]" 1
21 1 24 GLU H 1 24 GLU QB . . 3.170 2.225 2.094 2.446 . 0 0 "[ . 1 . 2]" 1
22 1 23 VAL MG1 1 24 GLU H . . 4.080 2.793 2.587 3.596 . 0 0 "[ . 1 . 2]" 1
23 1 23 VAL MG2 1 24 GLU H . . 4.080 2.032 1.886 3.692 . 0 0 "[ . 1 . 2]" 1
24 1 24 GLU HA 1 25 VAL H . . 2.920 2.159 2.150 2.180 . 0 0 "[ . 1 . 2]" 1
25 1 24 GLU QB 1 25 VAL H . . 4.220 3.269 3.094 3.715 . 0 0 "[ . 1 . 2]" 1
26 1 25 VAL H 1 25 VAL HB . . 3.650 3.174 2.744 3.270 . 0 0 "[ . 1 . 2]" 1
27 1 24 GLU QG 1 25 VAL H . . 4.770 3.779 2.488 4.504 . 0 0 "[ . 1 . 2]" 1
28 1 26 ARG QD 1 27 VAL H . . 4.550 3.751 2.007 4.663 0.113 11 0 "[ . 1 . 2]" 1
29 1 9 SER HB3 1 10 GLU H . . 4.350 3.191 2.874 3.794 . 0 0 "[ . 1 . 2]" 1
30 1 10 GLU H 1 10 GLU QG . . 3.860 2.166 1.972 2.384 . 0 0 "[ . 1 . 2]" 1
31 1 10 GLU H 1 10 GLU QB . . 3.520 2.476 2.360 2.621 . 0 0 "[ . 1 . 2]" 1
32 1 27 VAL H 1 27 VAL HB . . 3.130 2.897 2.874 2.944 . 0 0 "[ . 1 . 2]" 1
33 1 26 ARG QB 1 27 VAL H . . 3.890 3.374 3.289 3.757 . 0 0 "[ . 1 . 2]" 1
34 1 26 ARG QG 1 27 VAL H . . 4.700 4.490 3.343 4.711 0.011 15 0 "[ . 1 . 2]" 1
35 1 27 VAL H 1 27 VAL MG2 . . 3.980 3.779 3.774 3.783 . 0 0 "[ . 1 . 2]" 1
36 1 46 VAL HA 1 47 GLN H . . 3.280 2.312 2.235 2.373 . 0 0 "[ . 1 . 2]" 1
37 1 47 GLN H 1 47 GLN QG . . 4.470 3.894 3.067 4.229 . 0 0 "[ . 1 . 2]" 1
38 1 86 VAL HB 1 87 LYS H . . 4.650 3.022 1.909 4.609 . 0 0 "[ . 1 . 2]" 1
39 1 86 VAL MG1 1 87 LYS H . . 5.240 3.527 3.045 4.361 . 0 0 "[ . 1 . 2]" 1
40 1 86 VAL MG2 1 87 LYS H . . 5.240 3.726 3.380 4.367 . 0 0 "[ . 1 . 2]" 1
41 1 87 LYS H 1 87 LYS QB . . 3.780 2.690 2.059 3.421 . 0 0 "[ . 1 . 2]" 1
42 1 87 LYS H 1 87 LYS QG . . 4.580 3.614 2.004 4.254 . 0 0 "[ . 1 . 2]" 1
43 1 69 GLN QG 1 70 VAL H . . 4.290 3.735 2.929 4.299 0.009 3 0 "[ . 1 . 2]" 1
44 1 69 GLN QB 1 70 VAL H . . 4.560 3.356 2.873 3.679 . 0 0 "[ . 1 . 2]" 1
45 1 69 GLN HA 1 70 VAL H . . 2.770 2.153 2.139 2.222 . 0 0 "[ . 1 . 2]" 1
46 1 70 VAL H 1 70 VAL HB . . 3.320 2.798 2.500 3.073 . 0 0 "[ . 1 . 2]" 1
47 1 50 VAL HA 1 51 VAL H . . 3.330 2.205 2.162 2.231 . 0 0 "[ . 1 . 2]" 1
48 1 68 VAL HA 1 69 GLN H . . 3.310 2.508 2.490 2.526 . 0 0 "[ . 1 . 2]" 1
49 1 69 GLN H 1 69 GLN QG . . 4.080 3.322 2.094 4.054 . 0 0 "[ . 1 . 2]" 1
50 1 50 VAL HB 1 51 VAL H . . 4.930 3.991 3.757 4.343 . 0 0 "[ . 1 . 2]" 1
51 1 50 VAL MG1 1 51 VAL H . . 3.620 2.407 1.958 3.192 . 0 0 "[ . 1 . 2]" 1
52 1 49 VAL H 1 70 VAL HA . . 4.320 3.292 2.643 4.022 . 0 0 "[ . 1 . 2]" 1
53 1 69 GLN H 1 69 GLN QB . . 3.850 2.249 2.132 2.721 . 0 0 "[ . 1 . 2]" 1
54 1 68 VAL HB 1 69 GLN H . . 3.600 2.160 2.114 2.194 . 0 0 "[ . 1 . 2]" 1
55 1 49 VAL H 1 49 VAL HB . . 3.580 2.985 2.600 3.640 0.060 18 0 "[ . 1 . 2]" 1
56 1 48 LYS HA 1 49 VAL H . . 3.170 2.388 2.142 2.566 . 0 0 "[ . 1 . 2]" 1
57 1 3 VAL H 1 3 VAL MG2 . . 4.400 3.084 2.263 4.024 . 0 0 "[ . 1 . 2]" 1
58 1 3 VAL H 1 4 VAL MG2 . . 4.330 3.713 3.645 3.767 . 0 0 "[ . 1 . 2]" 1
59 1 3 VAL H 1 3 VAL MG1 . . 4.400 3.032 2.294 3.988 . 0 0 "[ . 1 . 2]" 1
60 1 33 ASP H 1 34 ALA H . . 3.390 2.801 2.715 2.862 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL HA 1 8 THR H . . 3.320 2.439 2.313 2.559 . 0 0 "[ . 1 . 2]" 1
62 1 33 ASP HB3 1 34 ALA H . . 4.020 2.734 2.329 3.306 . 0 0 "[ . 1 . 2]" 1
63 1 7 VAL HB 1 8 THR H . . 3.290 2.307 2.035 2.601 . 0 0 "[ . 1 . 2]" 1
64 1 3 VAL H 1 3 VAL HB . . 3.990 3.510 2.915 3.967 . 0 0 "[ . 1 . 2]" 1
65 1 34 ALA H 1 34 ALA MB . . 3.110 2.125 2.027 2.233 . 0 0 "[ . 1 . 2]" 1
66 1 8 THR H 1 8 THR MG . . 3.750 3.023 1.890 3.746 . 0 0 "[ . 1 . 2]" 1
67 1 28 VAL MG2 1 34 ALA H . . 4.390 4.214 3.760 4.404 0.014 6 0 "[ . 1 . 2]" 1
68 1 7 VAL MG2 1 8 THR H . . 4.170 3.375 3.207 3.705 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL MG1 1 8 THR H . . 4.490 3.599 3.327 3.769 . 0 0 "[ . 1 . 2]" 1
70 1 33 ASP HB2 1 34 ALA H . . 4.020 3.008 2.501 3.802 . 0 0 "[ . 1 . 2]" 1
71 1 31 GLU H 1 31 GLU QB . . 3.760 2.549 2.444 2.721 . 0 0 "[ . 1 . 2]" 1
72 1 34 ALA H 1 35 LYS QB . . 4.520 4.428 4.348 4.509 . 0 0 "[ . 1 . 2]" 1
73 1 8 THR H 1 12 VAL MG2 . . 4.280 3.947 3.824 4.285 0.005 18 0 "[ . 1 . 2]" 1
74 1 91 LEU H 1 91 LEU MD1 . . 5.360 3.988 3.222 4.617 . 0 0 "[ . 1 . 2]" 1
75 1 91 LEU H 1 91 LEU MD2 . . 5.360 4.074 2.167 4.959 . 0 0 "[ . 1 . 2]" 1
76 1 90 GLY H 1 91 LEU H . . 4.250 3.316 1.907 4.220 . 0 0 "[ . 1 . 2]" 1
77 1 90 GLY QA 1 91 LEU H . . 3.290 2.334 2.111 2.775 . 0 0 "[ . 1 . 2]" 1
78 1 91 LEU H 1 91 LEU QB . . 3.080 2.628 2.059 2.985 . 0 0 "[ . 1 . 2]" 1
79 1 13 LYS H 1 14 GLU H . . 3.600 2.800 2.774 2.829 . 0 0 "[ . 1 . 2]" 1
80 1 91 LEU HA 1 92 GLU H . . 3.360 2.277 2.142 2.852 . 0 0 "[ . 1 . 2]" 1
81 1 92 GLU H 1 92 GLU QB . . 3.450 2.512 2.049 3.376 . 0 0 "[ . 1 . 2]" 1
82 1 66 ALA H 1 67 ASN H . . 3.590 2.128 2.059 2.239 . 0 0 "[ . 1 . 2]" 1
83 1 65 GLU H 1 66 ALA H . . 3.370 2.495 2.430 2.529 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLU HA 1 13 LYS H . . 3.890 3.342 3.285 3.446 . 0 0 "[ . 1 . 2]" 1
85 1 92 GLU H 1 92 GLU QG . . 4.470 3.517 2.455 4.257 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL HB 1 13 LYS H . . 3.550 2.668 2.548 2.747 . 0 0 "[ . 1 . 2]" 1
87 1 91 LEU QB 1 92 GLU H . . 4.150 3.423 2.062 4.035 . 0 0 "[ . 1 . 2]" 1
88 1 13 LYS H 1 13 LYS QB . . 3.330 2.237 2.203 2.246 . 0 0 "[ . 1 . 2]" 1
89 1 66 ALA H 1 66 ALA MB . . 3.290 2.289 2.205 2.392 . 0 0 "[ . 1 . 2]" 1
90 1 13 LYS H 1 13 LYS QG . . 4.270 3.976 3.906 4.018 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL MG1 1 13 LYS H . . 4.140 3.692 3.518 3.774 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL MG2 1 13 LYS H . . 4.440 3.692 3.656 3.734 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL MG2 1 13 LYS H . . 3.400 2.208 1.966 2.562 . 0 0 "[ . 1 . 2]" 1
94 1 54 VAL HA 1 55 SER H . . 3.060 2.222 2.208 2.249 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL HB 1 13 LYS H . . 4.640 3.971 3.626 4.196 . 0 0 "[ . 1 . 2]" 1
96 1 54 VAL HB 1 55 SER H . . 4.070 3.947 3.740 4.098 0.028 15 0 "[ . 1 . 2]" 1
97 1 54 VAL MG2 1 55 SER H . . 4.180 3.893 3.672 4.034 . 0 0 "[ . 1 . 2]" 1
98 1 45 GLY H 1 46 VAL H . . 3.630 2.423 1.850 2.598 . 0 0 "[ . 1 . 2]" 1
99 1 46 VAL H 1 46 VAL HB . . 3.200 2.674 2.322 2.938 . 0 0 "[ . 1 . 2]" 1
100 1 37 VAL H 1 37 VAL HB . . 3.020 2.463 2.398 2.513 . 0 0 "[ . 1 . 2]" 1
101 1 84 LYS QB 1 85 ASP H . . 3.880 2.227 2.087 2.381 . 0 0 "[ . 1 . 2]" 1
102 1 37 VAL H 1 37 VAL MG1 . . 3.900 3.756 3.737 3.766 . 0 0 "[ . 1 . 2]" 1
103 1 84 LYS H 1 85 ASP H . . 4.090 3.123 3.050 3.153 . 0 0 "[ . 1 . 2]" 1
104 1 36 GLN QB 1 37 VAL H . . 3.380 2.803 2.659 2.925 . 0 0 "[ . 1 . 2]" 1
105 1 35 LYS QB 1 37 VAL H . . 4.880 4.403 4.355 4.515 . 0 0 "[ . 1 . 2]" 1
106 1 37 VAL H 1 39 LYS QB . . 5.410 4.884 4.632 5.217 . 0 0 "[ . 1 . 2]" 1
107 1 37 VAL H 1 37 VAL MG2 . . 3.150 2.389 2.197 2.539 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL H 1 13 LYS H . . 3.270 2.683 2.642 2.735 . 0 0 "[ . 1 . 2]" 1
109 1 10 GLU HA 1 12 VAL H . . 4.740 4.498 4.438 4.567 . 0 0 "[ . 1 . 2]" 1
110 1 12 VAL H 1 12 VAL HB . . 3.050 2.692 2.633 2.707 . 0 0 "[ . 1 . 2]" 1
111 1 12 VAL H 1 12 VAL MG2 . . 3.010 2.050 1.962 2.168 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL HB 1 12 VAL H . . 4.840 4.441 4.199 4.740 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLN QG 1 12 VAL H . . 5.080 4.245 3.904 4.374 . 0 0 "[ . 1 . 2]" 1
114 1 33 ASP H 1 33 ASP HB3 . . 3.650 3.232 2.551 3.567 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL H 1 16 VAL HB . . 2.950 2.509 2.488 2.570 . 0 0 "[ . 1 . 2]" 1
116 1 72 ARG QG 1 73 VAL H . . 4.870 3.317 2.040 4.259 . 0 0 "[ . 1 . 2]" 1
117 1 16 VAL H 1 16 VAL MG2 . . 3.900 2.285 2.220 2.363 . 0 0 "[ . 1 . 2]" 1
118 1 32 GLU H 1 33 ASP H . . 3.230 2.624 2.524 2.741 . 0 0 "[ . 1 . 2]" 1
119 1 33 ASP H 1 33 ASP HB2 . . 3.650 2.193 2.072 2.509 . 0 0 "[ . 1 . 2]" 1
120 1 33 ASP H 1 34 ALA MB . . 4.920 4.384 4.263 4.467 . 0 0 "[ . 1 . 2]" 1
121 1 31 GLU H 1 32 GLU H . . 3.890 2.601 2.560 2.639 . 0 0 "[ . 1 . 2]" 1
122 1 32 GLU H 1 32 GLU QB . . 3.010 2.186 2.044 2.595 . 0 0 "[ . 1 . 2]" 1
123 1 30 THR MG 1 32 GLU H . . 4.650 3.427 3.226 3.658 . 0 0 "[ . 1 . 2]" 1
124 1 40 GLU H 1 40 GLU QG . . 4.020 3.634 2.801 3.860 . 0 0 "[ . 1 . 2]" 1
125 1 37 VAL HB 1 38 VAL H . . 3.290 2.370 2.297 2.547 . 0 0 "[ . 1 . 2]" 1
126 1 86 VAL H 1 86 VAL HB . . 4.040 3.690 2.932 3.981 . 0 0 "[ . 1 . 2]" 1
127 1 39 LYS QB 1 40 GLU H . . 3.650 2.564 2.403 2.626 . 0 0 "[ . 1 . 2]" 1
128 1 43 LYS H 1 43 LYS QB . . 3.780 2.163 2.061 2.358 . 0 0 "[ . 1 . 2]" 1
129 1 92 GLU QB 1 93 HIS H . . 4.290 3.003 2.088 4.009 . 0 0 "[ . 1 . 2]" 1
130 1 86 VAL H 1 87 LYS H . . 4.030 3.448 2.690 3.825 . 0 0 "[ . 1 . 2]" 1
131 1 37 VAL HA 1 40 GLU H . . 4.550 3.421 3.257 3.572 . 0 0 "[ . 1 . 2]" 1
132 1 84 LYS QB 1 86 VAL H . . 4.750 4.138 3.990 4.257 . 0 0 "[ . 1 . 2]" 1
133 1 79 VAL H 1 80 GLU H . . 3.950 2.656 2.559 2.724 . 0 0 "[ . 1 . 2]" 1
134 1 72 ARG HA 1 73 VAL H . . 3.360 2.266 2.197 2.379 . 0 0 "[ . 1 . 2]" 1
135 1 84 LYS H 1 85 ASP HA . . 5.500 5.573 5.544 5.589 0.089 4 0 "[ . 1 . 2]" 1
136 1 78 GLU QG 1 79 VAL H . . 4.660 4.320 3.840 4.655 . 0 0 "[ . 1 . 2]" 1
137 1 58 VAL HB 1 59 VAL H . . 3.600 2.251 2.218 2.267 . 0 0 "[ . 1 . 2]" 1
138 1 84 LYS H 1 84 LYS QB . . 3.850 2.202 2.134 2.252 . 0 0 "[ . 1 . 2]" 1
139 1 72 ARG QB 1 73 VAL H . . 4.540 2.968 2.451 3.553 . 0 0 "[ . 1 . 2]" 1
140 1 15 GLU H 1 16 VAL H . . 3.240 2.615 2.543 2.645 . 0 0 "[ . 1 . 2]" 1
141 1 32 GLU H 1 33 ASP HA . . 5.370 5.233 5.148 5.332 . 0 0 "[ . 1 . 2]" 1
142 1 56 GLU QG 1 58 VAL H . . 4.980 4.386 4.288 4.982 0.002 13 0 "[ . 1 . 2]" 1
143 1 15 GLU H 1 15 GLU QB . . 3.010 2.308 2.116 2.556 . 0 0 "[ . 1 . 2]" 1
144 1 14 GLU QB 1 15 GLU H . . 3.130 2.601 2.476 2.719 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLU H 1 15 GLU QG . . 3.590 3.031 1.937 3.809 0.219 2 0 "[ . 1 . 2]" 1
146 1 11 GLN H 1 12 VAL MG2 . . 4.680 4.112 4.021 4.212 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLU H 1 11 GLN H . . 3.870 2.622 2.529 2.667 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLN H 1 12 VAL H . . 3.400 2.840 2.811 2.860 . 0 0 "[ . 1 . 2]" 1
149 1 34 ALA HA 1 38 VAL H . . 4.390 3.847 3.718 4.083 . 0 0 "[ . 1 . 2]" 1
150 1 35 LYS HA 1 38 VAL H . . 4.650 3.716 3.447 3.876 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLN H 1 11 GLN QG . . 4.060 3.373 2.575 3.858 . 0 0 "[ . 1 . 2]" 1
152 1 40 GLU H 1 40 GLU QB . . 3.230 2.092 2.042 2.224 . 0 0 "[ . 1 . 2]" 1
153 1 42 GLN H 1 42 GLN QB . . 3.320 2.166 2.043 2.248 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLU QB 1 11 GLN H . . 4.020 3.505 3.474 3.535 . 0 0 "[ . 1 . 2]" 1
155 1 34 ALA MB 1 38 VAL H . . 4.670 4.201 4.082 4.417 . 0 0 "[ . 1 . 2]" 1
156 1 38 VAL H 1 38 VAL MG2 . . 4.050 2.420 1.995 3.763 . 0 0 "[ . 1 . 2]" 1
157 1 37 VAL MG1 1 38 VAL H . . 3.680 3.109 2.904 3.310 . 0 0 "[ . 1 . 2]" 1
158 1 58 VAL H 1 59 VAL H . . 3.560 2.714 2.694 2.890 . 0 0 "[ . 1 . 2]" 1
159 1 56 GLU HA 1 59 VAL H . . 4.190 3.546 3.512 3.736 . 0 0 "[ . 1 . 2]" 1
160 1 79 VAL H 1 79 VAL HB . . 3.380 2.526 2.494 2.710 . 0 0 "[ . 1 . 2]" 1
161 1 59 VAL H 1 59 VAL MG1 . . 3.480 2.407 1.977 3.750 0.270 13 0 "[ . 1 . 2]" 1
162 1 42 GLN QG 1 43 LYS H . . 5.010 4.127 3.394 4.488 . 0 0 "[ . 1 . 2]" 1
163 1 42 GLN QB 1 43 LYS H . . 4.980 2.668 2.536 2.736 . 0 0 "[ . 1 . 2]" 1
164 1 41 VAL H 1 42 GLN H . . 3.820 2.572 2.544 2.637 . 0 0 "[ . 1 . 2]" 1
165 1 17 ARG H 1 19 LYS H . . 4.790 4.237 4.026 4.295 . 0 0 "[ . 1 . 2]" 1
166 1 13 LYS HA 1 17 ARG H . . 4.730 3.850 3.739 4.007 . 0 0 "[ . 1 . 2]" 1
167 1 42 GLN H 1 42 GLN QG . . 4.070 3.394 2.688 4.025 . 0 0 "[ . 1 . 2]" 1
168 1 41 VAL HB 1 42 GLN H . . 3.890 3.678 2.530 3.914 0.024 10 0 "[ . 1 . 2]" 1
169 1 16 VAL HB 1 17 ARG H . . 3.540 2.434 2.369 2.607 . 0 0 "[ . 1 . 2]" 1
170 1 17 ARG H 1 17 ARG QB . . 3.240 2.253 2.138 2.422 . 0 0 "[ . 1 . 2]" 1
171 1 77 ASP H 1 78 GLU H . . 3.540 2.618 2.450 2.684 . 0 0 "[ . 1 . 2]" 1
172 1 75 SER HB2 1 77 ASP H . . 4.680 3.644 2.430 4.400 . 0 0 "[ . 1 . 2]" 1
173 1 60 GLN QB 1 61 LYS H . . 3.740 2.421 2.342 2.673 . 0 0 "[ . 1 . 2]" 1
174 1 61 LYS H 1 61 LYS QB . . 3.310 2.129 2.039 2.274 . 0 0 "[ . 1 . 2]" 1
175 1 76 ASN H 1 77 ASP H . . 4.470 2.615 2.503 2.780 . 0 0 "[ . 1 . 2]" 1
176 1 75 SER HB3 1 77 ASP H . . 4.680 3.078 2.394 4.437 . 0 0 "[ . 1 . 2]" 1
177 1 76 ASN HB3 1 77 ASP H . . 4.320 3.544 2.818 3.962 . 0 0 "[ . 1 . 2]" 1
178 1 48 LYS H 1 48 LYS QG . . 4.550 3.879 2.695 4.253 . 0 0 "[ . 1 . 2]" 1
179 1 47 GLN H 1 48 LYS H . . 3.410 1.885 1.856 1.969 . 0 0 "[ . 1 . 2]" 1
180 1 46 VAL HA 1 48 LYS H . . 4.730 4.059 3.933 4.158 . 0 0 "[ . 1 . 2]" 1
181 1 78 GLU H 1 78 GLU QB . . 3.430 2.268 2.073 2.599 . 0 0 "[ . 1 . 2]" 1
182 1 39 LYS H 1 39 LYS QG . . 3.890 3.261 2.295 3.895 0.005 3 0 "[ . 1 . 2]" 1
183 1 38 VAL H 1 39 LYS H . . 3.340 2.789 2.702 2.910 . 0 0 "[ . 1 . 2]" 1
184 1 39 LYS H 1 40 GLU H . . 3.540 2.611 2.567 2.744 . 0 0 "[ . 1 . 2]" 1
185 1 38 VAL HB 1 39 LYS H . . 3.890 3.196 2.427 3.992 0.102 3 0 "[ . 1 . 2]" 1
186 1 39 LYS H 1 39 LYS QB . . 3.050 2.246 2.143 2.482 . 0 0 "[ . 1 . 2]" 1
187 1 38 VAL MG2 1 39 LYS H . . 4.700 3.261 2.107 3.830 . 0 0 "[ . 1 . 2]" 1
188 1 56 GLU H 1 57 LYS H . . 4.160 2.568 2.555 2.597 . 0 0 "[ . 1 . 2]" 1
189 1 35 LYS H 1 36 GLN H . . 3.220 2.914 2.877 2.934 . 0 0 "[ . 1 . 2]" 1
190 1 36 GLN H 1 37 VAL H . . 3.360 2.634 2.554 2.764 . 0 0 "[ . 1 . 2]" 1
191 1 57 LYS H 1 58 VAL H . . 3.600 2.683 2.637 2.806 . 0 0 "[ . 1 . 2]" 1
192 1 36 GLN H 1 36 GLN QG . . 3.480 2.565 2.164 3.101 . 0 0 "[ . 1 . 2]" 1
193 1 36 GLN H 1 36 GLN QB . . 2.940 2.339 2.107 2.589 . 0 0 "[ . 1 . 2]" 1
194 1 35 LYS QB 1 36 GLN H . . 3.280 2.349 2.223 2.527 . 0 0 "[ . 1 . 2]" 1
195 1 36 GLN H 1 37 VAL MG2 . . 4.650 4.186 4.085 4.396 . 0 0 "[ . 1 . 2]" 1
196 1 55 SER HB3 1 57 LYS H . . 4.330 3.535 2.810 4.065 . 0 0 "[ . 1 . 2]" 1
197 1 59 VAL HA 1 62 VAL H . . 4.820 3.855 3.791 3.899 . 0 0 "[ . 1 . 2]" 1
198 1 62 VAL HB 1 63 LYS H . . 3.620 2.640 2.348 3.546 . 0 0 "[ . 1 . 2]" 1
199 1 63 LYS H 1 63 LYS QB . . 3.440 2.225 2.047 2.248 . 0 0 "[ . 1 . 2]" 1
200 1 35 LYS QG 1 36 GLN H . . 4.440 3.918 3.061 4.366 . 0 0 "[ . 1 . 2]" 1
201 1 62 VAL MG2 1 63 LYS H . . 4.590 3.497 1.959 3.832 . 0 0 "[ . 1 . 2]" 1
202 1 62 VAL H 1 63 LYS H . . 3.410 2.859 2.815 2.924 . 0 0 "[ . 1 . 2]" 1
203 1 61 LYS H 1 62 VAL H . . 3.490 2.992 2.925 3.029 . 0 0 "[ . 1 . 2]" 1
204 1 62 VAL H 1 62 VAL HB . . 4.000 2.769 2.596 3.612 . 0 0 "[ . 1 . 2]" 1
205 1 79 VAL HB 1 80 GLU H . . 4.280 2.489 2.321 3.943 . 0 0 "[ . 1 . 2]" 1
206 1 61 LYS QB 1 62 VAL H . . 3.470 2.134 1.999 2.301 . 0 0 "[ . 1 . 2]" 1
207 1 63 LYS H 1 63 LYS QG . . 4.140 4.003 3.763 4.031 . 0 0 "[ . 1 . 2]" 1
208 1 62 VAL H 1 62 VAL MG2 . . 3.840 2.112 1.910 2.215 . 0 0 "[ . 1 . 2]" 1
209 1 23 VAL H 1 23 VAL MG1 . . 3.810 2.582 2.462 2.867 . 0 0 "[ . 1 . 2]" 1
210 1 62 VAL MG1 1 63 LYS H . . 4.590 3.484 3.310 3.964 . 0 0 "[ . 1 . 2]" 1
211 1 62 VAL H 1 62 VAL MG1 . . 3.840 3.544 2.222 3.766 . 0 0 "[ . 1 . 2]" 1
212 1 22 GLN H 1 23 VAL H . . 3.220 2.526 2.515 2.582 . 0 0 "[ . 1 . 2]" 1
213 1 23 VAL H 1 23 VAL HB . . 3.680 2.448 2.285 3.650 . 0 0 "[ . 1 . 2]" 1
214 1 59 VAL H 1 60 GLN H . . 3.680 2.667 2.642 2.722 . 0 0 "[ . 1 . 2]" 1
215 1 60 GLN H 1 61 LYS H . . 3.830 2.821 2.680 2.845 . 0 0 "[ . 1 . 2]" 1
216 1 19 LYS H 1 20 PHE HA . . 5.430 5.164 5.128 5.187 . 0 0 "[ . 1 . 2]" 1
217 1 60 GLN H 1 60 GLN QG . . 4.140 3.534 2.598 4.037 . 0 0 "[ . 1 . 2]" 1
218 1 60 GLN H 1 60 GLN QB . . 2.960 2.237 2.191 2.250 . 0 0 "[ . 1 . 2]" 1
219 1 18 LYS QB 1 19 LYS H . . 3.650 2.677 2.551 3.504 . 0 0 "[ . 1 . 2]" 1
220 1 19 LYS H 1 20 PHE H . . 3.190 2.608 2.559 2.627 . 0 0 "[ . 1 . 2]" 1
221 1 34 ALA H 1 35 LYS H . . 3.200 2.758 2.694 2.820 . 0 0 "[ . 1 . 2]" 1
222 1 6 VAL HA 1 7 VAL H . . 2.940 2.222 2.183 2.244 . 0 0 "[ . 1 . 2]" 1
223 1 7 VAL H 1 27 VAL HA . . 3.900 2.117 2.018 2.225 . 0 0 "[ . 1 . 2]" 1
224 1 32 GLU HA 1 35 LYS H . . 3.830 3.569 3.499 3.618 . 0 0 "[ . 1 . 2]" 1
225 1 16 VAL HA 1 19 LYS H . . 4.230 3.372 3.297 3.438 . 0 0 "[ . 1 . 2]" 1
226 1 35 LYS H 1 35 LYS QB . . 2.920 2.130 2.040 2.235 . 0 0 "[ . 1 . 2]" 1
227 1 34 ALA MB 1 35 LYS H . . 3.230 2.581 2.510 2.730 . 0 0 "[ . 1 . 2]" 1
228 1 19 LYS H 1 19 LYS HB3 . . 3.600 3.259 2.706 3.573 . 0 0 "[ . 1 . 2]" 1
229 1 19 LYS H 1 19 LYS HB2 . . 3.600 2.203 2.068 2.372 . 0 0 "[ . 1 . 2]" 1
230 1 6 VAL MG1 1 7 VAL H . . 3.360 2.137 1.973 2.485 . 0 0 "[ . 1 . 2]" 1
231 1 14 GLU H 1 16 VAL H . . 4.490 4.140 4.059 4.202 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS H 1 20 PHE QB . . 5.390 5.107 5.019 5.154 . 0 0 "[ . 1 . 2]" 1
233 1 6 VAL HB 1 7 VAL H . . 4.410 3.924 3.855 4.067 . 0 0 "[ . 1 . 2]" 1
234 1 18 LYS QG 1 19 LYS H . . 4.770 4.018 2.226 4.426 . 0 0 "[ . 1 . 2]" 1
235 1 14 GLU H 1 15 GLU H . . 3.350 2.765 2.722 2.855 . 0 0 "[ . 1 . 2]" 1
236 1 28 VAL HA 1 29 THR H . . 3.480 2.221 2.184 2.259 . 0 0 "[ . 1 . 2]" 1
237 1 14 GLU H 1 14 GLU QG . . 3.230 2.611 2.059 3.170 . 0 0 "[ . 1 . 2]" 1
238 1 14 GLU H 1 14 GLU QB . . 2.780 2.281 2.067 2.495 . 0 0 "[ . 1 . 2]" 1
239 1 12 VAL HB 1 14 GLU H . . 5.350 5.244 5.081 5.338 . 0 0 "[ . 1 . 2]" 1
240 1 13 LYS QB 1 14 GLU H . . 3.970 2.387 2.308 2.562 . 0 0 "[ . 1 . 2]" 1
241 1 29 THR H 1 29 THR MG . . 4.660 3.005 2.852 3.169 . 0 0 "[ . 1 . 2]" 1
242 1 13 LYS QG 1 14 GLU H . . 4.180 3.809 3.556 3.954 . 0 0 "[ . 1 . 2]" 1
243 1 7 VAL MG2 1 14 GLU H . . 4.750 4.385 4.272 4.511 . 0 0 "[ . 1 . 2]" 1
244 1 67 ASN H 1 68 VAL H . . 3.760 2.676 2.659 2.684 . 0 0 "[ . 1 . 2]" 1
245 1 67 ASN H 1 67 ASN HB3 . . 4.030 3.835 3.774 3.979 . 0 0 "[ . 1 . 2]" 1
246 1 67 ASN H 1 67 ASN HB2 . . 4.030 3.152 3.080 3.795 . 0 0 "[ . 1 . 2]" 1
247 1 66 ALA MB 1 67 ASN H . . 3.740 2.840 2.691 3.009 . 0 0 "[ . 1 . 2]" 1
248 1 65 GLU H 1 65 GLU HG3 . . 4.080 3.208 2.306 4.075 . 0 0 "[ . 1 . 2]" 1
249 1 82 VAL H 1 83 VAL H . . 4.150 2.778 2.673 2.852 . 0 0 "[ . 1 . 2]" 1
250 1 20 PHE H 1 20 PHE QD . . 4.080 3.350 2.992 3.528 . 0 0 "[ . 1 . 2]" 1
251 1 20 PHE H 1 21 PRO HD3 . . 4.760 3.221 3.177 3.361 . 0 0 "[ . 1 . 2]" 1
252 1 20 PHE H 1 21 PRO HD2 . . 4.760 4.000 3.970 4.093 . 0 0 "[ . 1 . 2]" 1
253 1 20 PHE H 1 20 PHE QB . . 3.480 2.812 2.719 2.856 . 0 0 "[ . 1 . 2]" 1
254 1 83 VAL H 1 84 LYS QB . . 4.400 4.329 4.223 4.401 0.001 18 0 "[ . 1 . 2]" 1
255 1 19 LYS HB3 1 20 PHE H . . 4.350 3.029 2.538 3.507 . 0 0 "[ . 1 . 2]" 1
256 1 19 LYS HB2 1 20 PHE H . . 4.350 3.083 2.628 3.705 . 0 0 "[ . 1 . 2]" 1
257 1 38 VAL HA 1 41 VAL H . . 4.770 3.744 3.629 3.858 . 0 0 "[ . 1 . 2]" 1
258 1 41 VAL H 1 41 VAL HB . . 3.760 3.347 2.435 3.621 . 0 0 "[ . 1 . 2]" 1
259 1 40 GLU QB 1 41 VAL H . . 3.720 2.454 2.339 2.590 . 0 0 "[ . 1 . 2]" 1
260 1 17 ARG H 1 18 LYS H . . 3.350 2.672 2.584 2.713 . 0 0 "[ . 1 . 2]" 1
261 1 18 LYS H 1 19 LYS H . . 3.300 2.512 2.394 2.542 . 0 0 "[ . 1 . 2]" 1
262 1 18 LYS H 1 18 LYS QB . . 2.850 2.213 2.065 2.584 . 0 0 "[ . 1 . 2]" 1
263 1 18 LYS H 1 18 LYS QG . . 3.990 3.587 2.077 3.975 . 0 0 "[ . 1 . 2]" 1
264 1 63 LYS H 1 64 GLN H . . 3.710 2.822 2.789 2.844 . 0 0 "[ . 1 . 2]" 1
265 1 64 GLN H 1 64 GLN QB . . 3.310 2.125 2.039 2.343 . 0 0 "[ . 1 . 2]" 1
266 1 63 LYS QB 1 64 GLN H . . 3.830 2.609 2.546 2.675 . 0 0 "[ . 1 . 2]" 1
267 1 44 LYS H 1 44 LYS QB . . 3.560 2.099 2.044 2.257 . 0 0 "[ . 1 . 2]" 1
268 1 43 LYS QB 1 44 LYS H . . 3.480 2.735 2.620 2.835 . 0 0 "[ . 1 . 2]" 1
269 1 41 VAL MG1 1 44 LYS H . . 5.500 4.910 4.203 5.099 . 0 0 "[ . 1 . 2]" 1
270 1 41 VAL MG2 1 44 LYS H . . 5.500 4.806 4.248 5.156 . 0 0 "[ . 1 . 2]" 1
271 1 22 GLN H 1 22 GLN QB . . 3.880 2.237 2.058 2.591 . 0 0 "[ . 1 . 2]" 1
272 1 21 PRO QB 1 22 GLN H . . 4.310 3.291 3.113 3.373 . 0 0 "[ . 1 . 2]" 1
273 1 74 THR H 1 75 SER H . . 3.360 1.940 1.924 1.965 . 0 0 "[ . 1 . 2]" 1
274 1 75 SER H 1 78 GLU QB . . 3.930 2.593 1.924 3.283 . 0 0 "[ . 1 . 2]" 1
275 1 81 GLN H 1 81 GLN QB . . 3.520 2.210 2.152 2.252 . 0 0 "[ . 1 . 2]" 1
276 1 53 GLY H 1 54 VAL H . . 4.280 2.657 2.603 2.696 . 0 0 "[ . 1 . 2]" 1
277 1 52 VAL HA 1 53 GLY H . . 3.150 2.170 2.152 2.206 . 0 0 "[ . 1 . 2]" 1
278 1 68 VAL H 1 68 VAL MG1 . . 4.250 3.145 2.996 3.473 . 0 0 "[ . 1 . 2]" 1
279 1 6 VAL H 1 50 VAL H . . 4.690 3.990 3.543 4.192 . 0 0 "[ . 1 . 2]" 1
280 1 49 VAL HA 1 50 VAL H . . 3.050 2.145 2.141 2.151 . 0 0 "[ . 1 . 2]" 1
281 1 50 VAL H 1 50 VAL HB . . 3.740 2.715 2.603 2.937 . 0 0 "[ . 1 . 2]" 1
282 1 5 VAL HA 1 6 VAL H . . 3.110 2.159 2.142 2.172 . 0 0 "[ . 1 . 2]" 1
283 1 28 VAL HA 1 30 THR H . . 4.060 3.900 3.820 3.981 . 0 0 "[ . 1 . 2]" 1
284 1 29 THR HB 1 30 THR H . . 3.960 3.781 3.639 3.924 . 0 0 "[ . 1 . 2]" 1
285 1 30 THR H 1 33 ASP HB3 . . 3.800 3.083 2.468 3.774 . 0 0 "[ . 1 . 2]" 1
286 1 6 VAL H 1 6 VAL HB . . 3.500 2.718 2.610 2.810 . 0 0 "[ . 1 . 2]" 1
287 1 28 VAL HB 1 30 THR H . . 4.710 3.965 3.683 4.776 0.066 13 0 "[ . 1 . 2]" 1
288 1 28 VAL MG1 1 30 THR H . . 5.500 4.446 2.353 5.020 . 0 0 "[ . 1 . 2]" 1
289 1 28 VAL MG2 1 30 THR H . . 5.500 4.558 4.335 5.086 . 0 0 "[ . 1 . 2]" 1
290 1 29 THR H 1 30 THR H . . 3.030 1.868 1.840 1.897 . 0 0 "[ . 1 . 2]" 1
291 1 30 THR H 1 33 ASP HB2 . . 3.800 2.423 2.066 3.247 . 0 0 "[ . 1 . 2]" 1
292 1 5 VAL H 1 5 VAL HB . . 3.670 2.628 2.543 2.676 . 0 0 "[ . 1 . 2]" 1
293 1 4 VAL HB 1 5 VAL H . . 4.520 4.073 3.968 4.211 . 0 0 "[ . 1 . 2]" 1
294 1 5 VAL H 1 25 VAL HB . . 5.070 4.641 3.866 5.153 0.083 9 0 "[ . 1 . 2]" 1
295 1 30 THR H 1 30 THR MG . . 3.810 3.757 3.682 3.808 . 0 0 "[ . 1 . 2]" 1
296 1 5 VAL MG2 1 6 VAL H . . 4.330 4.081 3.969 4.171 . 0 0 "[ . 1 . 2]" 1
297 1 5 VAL H 1 25 VAL HA . . 4.020 2.817 2.395 3.118 . 0 0 "[ . 1 . 2]" 1
298 1 4 VAL MG1 1 5 VAL H . . 3.600 2.293 2.045 2.523 . 0 0 "[ . 1 . 2]" 1
299 1 8 THR H 1 9 SER H . . 3.210 2.177 2.083 2.296 . 0 0 "[ . 1 . 2]" 1
300 1 7 VAL HB 1 9 SER H . . 3.610 2.494 2.309 2.561 . 0 0 "[ . 1 . 2]" 1
301 1 9 SER H 1 12 VAL HB . . 3.590 3.467 3.395 3.593 0.003 7 0 "[ . 1 . 2]" 1
302 1 8 THR MG 1 9 SER H . . 4.400 3.836 2.142 4.360 . 0 0 "[ . 1 . 2]" 1
303 1 9 SER H 1 12 VAL MG2 . . 4.020 3.097 2.890 3.403 . 0 0 "[ . 1 . 2]" 1
304 1 7 VAL MG2 1 9 SER H . . 3.420 2.844 2.728 3.278 . 0 0 "[ . 1 . 2]" 1
305 1 8 THR HB 1 9 SER H . . 4.600 3.711 3.175 4.294 . 0 0 "[ . 1 . 2]" 1
306 1 50 VAL HA 1 71 TYR H . . 3.510 2.691 2.386 3.090 . 0 0 "[ . 1 . 2]" 1
307 1 50 VAL MG2 1 71 TYR H . . 4.370 3.618 3.274 4.324 . 0 0 "[ . 1 . 2]" 1
308 1 25 VAL HA 1 26 ARG H . . 3.080 2.146 2.144 2.149 . 0 0 "[ . 1 . 2]" 1
309 1 6 VAL HA 1 26 ARG H . . 3.940 3.355 3.246 3.486 . 0 0 "[ . 1 . 2]" 1
310 1 26 ARG H 1 26 ARG QG . . 3.740 3.168 2.047 3.987 0.247 16 0 "[ . 1 . 2]" 1
311 1 4 VAL MG1 1 26 ARG H . . 3.950 2.987 2.602 3.333 . 0 0 "[ . 1 . 2]" 1
312 1 26 ARG H 1 27 VAL H . . 4.680 4.134 4.090 4.220 . 0 0 "[ . 1 . 2]" 1
313 1 16 VAL H 1 18 LYS H . . 4.590 3.886 3.822 3.918 . 0 0 "[ . 1 . 2]" 1
314 1 30 THR H 1 34 ALA H . . 4.320 3.967 3.794 4.239 . 0 0 "[ . 1 . 2]" 1
315 1 40 GLU H 1 41 VAL H . . 3.450 2.775 2.720 2.815 . 0 0 "[ . 1 . 2]" 1
316 1 44 LYS H 1 46 VAL H . . 4.880 4.637 3.913 4.896 0.016 8 0 "[ . 1 . 2]" 1
317 1 48 LYS H 1 49 VAL H . . 4.620 4.434 4.045 4.513 . 0 0 "[ . 1 . 2]" 1
318 1 80 GLU H 1 81 GLN H . . 4.360 2.543 2.518 2.572 . 0 0 "[ . 1 . 2]" 1
319 1 5 VAL MG1 1 6 VAL H . . 4.330 2.507 2.231 2.769 . 0 0 "[ . 1 . 2]" 1
320 1 6 VAL MG1 1 27 VAL H . . 5.100 4.559 4.250 5.103 0.003 16 0 "[ . 1 . 2]" 1
321 1 7 VAL MG2 1 27 VAL H . . 5.500 4.309 3.933 4.588 . 0 0 "[ . 1 . 2]" 1
322 1 6 VAL MG2 1 26 ARG H . . 3.890 3.270 2.654 3.845 . 0 0 "[ . 1 . 2]" 1
323 1 7 VAL MG1 1 9 SER H . . 4.140 4.135 3.971 4.205 0.065 17 0 "[ . 1 . 2]" 1
324 1 7 VAL MG1 1 13 LYS H . . 3.710 3.430 3.226 3.715 0.005 18 0 "[ . 1 . 2]" 1
325 1 6 VAL MG1 1 28 VAL H . . 3.900 2.208 2.025 2.597 . 0 0 "[ . 1 . 2]" 1
326 1 10 GLU QG 1 11 GLN H . . 4.180 2.145 1.979 2.283 . 0 0 "[ . 1 . 2]" 1
327 1 15 GLU QG 1 16 VAL H . . 3.900 3.453 2.933 3.940 0.040 18 0 "[ . 1 . 2]" 1
328 1 16 VAL H 1 16 VAL MG1 . . 3.900 3.766 3.761 3.778 . 0 0 "[ . 1 . 2]" 1
329 1 7 VAL H 1 7 VAL MG2 . . 3.420 2.125 1.968 2.284 . 0 0 "[ . 1 . 2]" 1
330 1 28 VAL MG1 1 34 ALA H . . 4.390 3.266 2.114 3.624 . 0 0 "[ . 1 . 2]" 1
331 1 7 VAL H 1 7 VAL MG1 . . 3.360 2.966 2.813 3.275 . 0 0 "[ . 1 . 2]" 1
332 1 28 VAL H 1 28 VAL MG2 . . 4.190 2.209 2.084 2.591 . 0 0 "[ . 1 . 2]" 1
333 1 29 THR MG 1 30 THR H . . 4.110 3.983 3.849 4.090 . 0 0 "[ . 1 . 2]" 1
334 1 30 THR MG 1 33 ASP H . . 4.720 4.233 4.108 4.343 . 0 0 "[ . 1 . 2]" 1
335 1 31 GLU QG 1 32 GLU H . . 4.250 3.758 1.905 4.156 . 0 0 "[ . 1 . 2]" 1
336 1 38 VAL H 1 38 VAL MG1 . . 4.050 2.978 2.016 3.767 . 0 0 "[ . 1 . 2]" 1
337 1 38 VAL MG1 1 39 LYS H . . 4.700 3.335 2.103 3.993 . 0 0 "[ . 1 . 2]" 1
338 1 40 GLU QG 1 41 VAL H . . 4.240 4.173 4.003 4.281 0.041 13 0 "[ . 1 . 2]" 1
339 1 50 VAL MG1 1 73 VAL H . . 4.110 3.724 3.514 3.856 . 0 0 "[ . 1 . 2]" 1
340 1 6 VAL H 1 6 VAL MG2 . . 4.120 2.824 2.456 2.991 . 0 0 "[ . 1 . 2]" 1
341 1 6 VAL MG2 1 50 VAL H . . 4.680 3.674 3.333 4.025 . 0 0 "[ . 1 . 2]" 1
342 1 50 VAL MG1 1 71 TYR H . . 4.630 4.120 3.881 4.564 . 0 0 "[ . 1 . 2]" 1
343 1 65 GLU H 1 65 GLU HG2 . . 4.080 3.025 2.098 4.076 . 0 0 "[ . 1 . 2]" 1
344 1 68 VAL H 1 68 VAL MG2 . . 4.250 2.194 2.100 2.343 . 0 0 "[ . 1 . 2]" 1
345 1 51 VAL H 1 51 VAL MG2 . . 4.100 2.286 2.020 3.960 . 0 0 "[ . 1 . 2]" 1
346 1 75 SER H 1 78 GLU QG . . 4.500 2.946 2.186 4.176 . 0 0 "[ . 1 . 2]" 1
347 1 78 GLU H 1 78 GLU QG . . 3.700 2.927 2.103 3.728 0.028 10 0 "[ . 1 . 2]" 1
348 1 4 VAL HA 1 24 GLU H . . 4.740 4.023 3.647 4.091 . 0 0 "[ . 1 . 2]" 1
349 1 30 THR HA 1 32 GLU H . . 5.140 4.453 4.354 4.585 . 0 0 "[ . 1 . 2]" 1
350 1 10 GLU HA 1 14 GLU H . . 4.340 4.214 4.128 4.327 . 0 0 "[ . 1 . 2]" 1
351 1 11 GLN HA 1 13 LYS H . . 4.760 4.393 4.303 4.537 . 0 0 "[ . 1 . 2]" 1
352 1 15 GLU HA 1 18 LYS H . . 3.930 3.673 3.565 3.736 . 0 0 "[ . 1 . 2]" 1
353 1 15 GLU HA 1 19 LYS H . . 4.420 4.307 4.238 4.353 . 0 0 "[ . 1 . 2]" 1
354 1 26 ARG HA 1 27 VAL H . . 3.090 2.141 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
355 1 9 SER HA 1 11 GLN H . . 4.250 4.030 3.999 4.065 . 0 0 "[ . 1 . 2]" 1
356 1 31 GLU HA 1 34 ALA H . . 4.340 3.713 3.532 3.799 . 0 0 "[ . 1 . 2]" 1
357 1 32 GLU HA 1 34 ALA H . . 4.960 4.691 4.500 4.776 . 0 0 "[ . 1 . 2]" 1
358 1 34 ALA HA 1 37 VAL H . . 3.910 3.338 3.236 3.496 . 0 0 "[ . 1 . 2]" 1
359 1 71 TYR HA 1 72 ARG H . . 3.530 2.262 2.155 2.608 . 0 0 "[ . 1 . 2]" 1
360 1 84 LYS HA 1 86 VAL H . . 4.460 4.238 3.917 4.384 . 0 0 "[ . 1 . 2]" 1
361 1 9 SER HB2 1 10 GLU H . . 4.350 3.951 3.191 4.280 . 0 0 "[ . 1 . 2]" 1
362 1 32 GLU H 1 35 LYS QB . . 4.890 4.770 4.634 4.929 0.039 11 0 "[ . 1 . 2]" 1
363 1 14 GLU H 1 15 GLU QB . . 4.840 4.641 4.424 4.897 0.057 18 0 "[ . 1 . 2]" 1
364 1 15 GLU QB 1 16 VAL H . . 3.280 2.750 2.590 2.919 . 0 0 "[ . 1 . 2]" 1
365 1 15 GLU QB 1 17 ARG H . . 5.180 4.995 4.828 5.154 . 0 0 "[ . 1 . 2]" 1
366 1 20 PHE QB 1 23 VAL H . . 4.540 3.021 2.944 3.174 . 0 0 "[ . 1 . 2]" 1
367 1 5 VAL H 1 24 GLU QB . . 4.330 4.066 3.669 4.370 0.040 18 0 "[ . 1 . 2]" 1
368 1 30 THR HB 1 31 GLU H . . 3.760 2.637 2.523 2.790 . 0 0 "[ . 1 . 2]" 1
369 1 30 THR HB 1 32 GLU H . . 3.510 2.498 2.344 2.745 . 0 0 "[ . 1 . 2]" 1
370 1 30 THR HB 1 33 ASP H . . 4.670 2.599 2.483 2.726 . 0 0 "[ . 1 . 2]" 1
371 1 32 GLU QB 1 33 ASP H . . 3.510 2.785 2.565 3.461 . 0 0 "[ . 1 . 2]" 1
372 1 36 GLN H 1 37 VAL HB . . 5.100 4.856 4.727 4.976 . 0 0 "[ . 1 . 2]" 1
373 1 36 GLN QB 1 40 GLU H . . 4.850 4.799 4.523 4.868 0.018 17 0 "[ . 1 . 2]" 1
374 1 44 LYS QB 1 45 GLY H . . 4.410 2.774 2.581 2.908 . 0 0 "[ . 1 . 2]" 1
375 1 44 LYS QB 1 46 VAL H . . 4.690 4.252 3.173 4.605 . 0 0 "[ . 1 . 2]" 1
376 1 49 VAL HB 1 50 VAL H . . 4.760 4.258 3.276 4.352 . 0 0 "[ . 1 . 2]" 1
377 1 55 SER HB2 1 57 LYS H . . 4.330 3.400 2.888 4.278 . 0 0 "[ . 1 . 2]" 1
378 1 56 GLU QB 1 57 LYS H . . 3.520 3.381 2.726 3.434 . 0 0 "[ . 1 . 2]" 1
379 1 57 LYS HB3 1 58 VAL H . . 3.980 3.936 3.882 3.976 . 0 0 "[ . 1 . 2]" 1
380 1 54 VAL HB 1 59 VAL H . . 5.250 5.259 5.067 5.417 0.167 15 0 "[ . 1 . 2]" 1
381 1 61 LYS H 1 63 LYS QB . . 4.740 4.601 4.528 4.712 . 0 0 "[ . 1 . 2]" 1
382 1 62 VAL H 1 63 LYS QB . . 4.750 4.526 4.453 4.569 . 0 0 "[ . 1 . 2]" 1
383 1 57 LYS H 1 57 LYS HB3 . . 3.110 2.461 2.418 2.633 . 0 0 "[ . 1 . 2]" 1
384 1 74 THR HB 1 75 SER H . . 4.350 3.600 3.004 4.138 . 0 0 "[ . 1 . 2]" 1
385 1 76 ASN HB2 1 77 ASP H . . 4.320 3.242 2.652 4.082 . 0 0 "[ . 1 . 2]" 1
386 1 78 GLU QB 1 79 VAL H . . 3.730 2.832 2.630 2.916 . 0 0 "[ . 1 . 2]" 1
387 1 80 GLU QB 1 81 GLN H . . 4.630 3.127 2.755 3.523 . 0 0 "[ . 1 . 2]" 1
388 1 81 GLN QB 1 82 VAL H . . 4.370 2.400 2.326 2.512 . 0 0 "[ . 1 . 2]" 1
389 1 82 VAL H 1 82 VAL HB . . 4.170 2.788 2.439 3.613 . 0 0 "[ . 1 . 2]" 1
390 1 34 ALA MB 1 35 LYS QB . . 4.240 3.965 3.858 4.191 . 0 0 "[ . 1 . 2]" 1
391 1 28 VAL MG1 1 34 ALA MB . . 3.690 2.275 1.877 2.783 . 0 0 "[ . 1 . 2]" 1
392 1 56 GLU QG 1 57 LYS HA . . 4.280 3.437 3.278 4.097 . 0 0 "[ . 1 . 2]" 1
393 1 26 ARG QB 1 27 VAL HA . . 4.730 4.437 4.369 4.870 0.140 16 0 "[ . 1 . 2]" 1
394 1 69 GLN HA 1 70 VAL HB . . 5.130 4.602 4.480 4.776 . 0 0 "[ . 1 . 2]" 1
395 1 41 VAL HB 1 46 VAL HB . . 4.610 2.466 1.944 4.427 . 0 0 "[ . 1 . 2]" 1
396 1 6 VAL MG1 1 27 VAL HA . . 4.160 2.482 2.070 3.126 . 0 0 "[ . 1 . 2]" 1
397 1 13 LYS QB 1 16 VAL HB . . 4.910 4.716 4.601 4.804 . 0 0 "[ . 1 . 2]" 1
398 1 50 VAL HA 1 71 TYR QD . . 5.020 4.640 3.972 5.026 0.006 16 0 "[ . 1 . 2]" 1
399 1 70 VAL HA 1 71 TYR QD . . 5.230 3.626 3.160 4.547 . 0 0 "[ . 1 . 2]" 1
400 1 13 LYS HA 1 16 VAL HB . . 4.290 2.744 2.648 2.809 . 0 0 "[ . 1 . 2]" 1
401 1 30 THR MG 1 31 GLU HA . . 4.840 4.726 4.586 4.839 . 0 0 "[ . 1 . 2]" 1
402 1 39 LYS QB 1 40 GLU QB . . 4.130 3.955 3.819 4.173 0.043 13 0 "[ . 1 . 2]" 1
403 1 37 VAL HA 1 40 GLU QB . . 4.310 2.671 2.416 2.948 . 0 0 "[ . 1 . 2]" 1
404 1 10 GLU HA 1 27 VAL MG1 . . 4.430 3.329 2.791 3.695 . 0 0 "[ . 1 . 2]" 1
405 1 36 GLN HA 1 40 GLU H . . 4.680 4.221 3.874 4.400 . 0 0 "[ . 1 . 2]" 1
406 1 7 VAL HA 1 52 VAL H . . 4.360 2.466 2.270 2.701 . 0 0 "[ . 1 . 2]" 1
407 1 30 THR H 1 33 ASP HA . . 5.310 5.147 4.967 5.362 0.052 13 0 "[ . 1 . 2]" 1
408 1 32 GLU HA 1 35 LYS QG . . 4.670 4.300 3.290 4.666 . 0 0 "[ . 1 . 2]" 1
409 1 39 LYS QG 1 40 GLU H . . 4.250 4.129 3.937 4.245 . 0 0 "[ . 1 . 2]" 1
410 1 13 LYS QG 1 16 VAL HB . . 4.240 3.792 3.485 4.019 . 0 0 "[ . 1 . 2]" 1
411 1 37 VAL HA 1 37 VAL MG2 . . 3.420 2.287 2.183 2.399 . 0 0 "[ . 1 . 2]" 1
412 1 26 ARG QB 1 37 VAL MG2 . . 4.200 2.421 1.960 3.476 . 0 0 "[ . 1 . 2]" 1
413 1 59 VAL H 1 59 VAL MG2 . . 3.480 2.039 1.884 3.746 0.266 17 0 "[ . 1 . 2]" 1
414 1 34 ALA HA 1 37 VAL MG2 . . 4.450 2.457 2.286 2.798 . 0 0 "[ . 1 . 2]" 1
415 1 35 LYS HA 1 38 VAL MG2 . . 4.910 2.896 2.131 4.783 . 0 0 "[ . 1 . 2]" 1
416 1 59 VAL HA 1 59 VAL MG2 . . 3.540 3.122 2.416 3.203 . 0 0 "[ . 1 . 2]" 1
417 1 26 ARG QG 1 37 VAL MG2 . . 3.940 3.640 1.875 4.016 0.076 17 0 "[ . 1 . 2]" 1
418 1 38 VAL MG2 1 66 ALA MB . . 4.260 3.341 2.152 3.873 . 0 0 "[ . 1 . 2]" 1
419 1 7 VAL HB 1 12 VAL MG2 . . 4.190 3.140 3.003 3.360 . 0 0 "[ . 1 . 2]" 1
420 1 6 VAL HA 1 6 VAL MG2 . . 3.520 2.356 2.272 2.494 . 0 0 "[ . 1 . 2]" 1
421 1 12 VAL HA 1 12 VAL MG2 . . 3.270 2.408 2.345 2.422 . 0 0 "[ . 1 . 2]" 1
422 1 7 VAL HA 1 7 VAL MG1 . . 3.540 2.378 2.231 2.438 . 0 0 "[ . 1 . 2]" 1
423 1 7 VAL MG1 1 52 VAL HB . . 3.570 2.387 1.990 2.717 . 0 0 "[ . 1 . 2]" 1
424 1 7 VAL MG1 1 12 VAL MG1 . . 3.280 1.796 1.762 1.819 . 0 0 "[ . 1 . 2]" 1
425 1 50 VAL HA 1 50 VAL MG1 . . 3.410 2.284 2.170 2.389 . 0 0 "[ . 1 . 2]" 1
426 1 8 THR MG 1 54 VAL HA . . 4.000 3.036 2.300 4.075 0.075 20 0 "[ . 1 . 2]" 1
427 1 3 VAL HA 1 3 VAL MG2 . . 3.740 2.664 2.194 3.203 . 0 0 "[ . 1 . 2]" 1
428 1 27 VAL HA 1 27 VAL MG2 . . 3.590 2.367 2.327 2.419 . 0 0 "[ . 1 . 2]" 1
429 1 10 GLU HA 1 27 VAL MG2 . . 4.430 2.664 2.429 2.846 . 0 0 "[ . 1 . 2]" 1
430 1 28 VAL MG2 1 34 ALA HA . . 4.210 3.500 2.151 3.914 . 0 0 "[ . 1 . 2]" 1
431 1 50 VAL MG2 1 79 VAL HA . . 5.500 4.605 3.728 5.099 . 0 0 "[ . 1 . 2]" 1
432 1 51 VAL HB 1 54 VAL MG1 . . 4.000 3.239 3.099 4.016 0.016 15 0 "[ . 1 . 2]" 1
433 1 7 VAL MG1 1 13 LYS QB . . 4.540 3.616 3.363 3.840 . 0 0 "[ . 1 . 2]" 1
434 1 28 VAL MG2 1 34 ALA MB . . 3.690 2.671 2.407 2.923 . 0 0 "[ . 1 . 2]" 1
435 1 23 VAL H 1 23 VAL MG2 . . 3.810 3.638 1.897 3.767 . 0 0 "[ . 1 . 2]" 1
436 1 12 VAL HA 1 12 VAL MG1 . . 3.540 2.320 2.276 2.369 . 0 0 "[ . 1 . 2]" 1
437 1 62 VAL HA 1 62 VAL MG1 . . 3.600 2.299 2.157 2.391 . 0 0 "[ . 1 . 2]" 1
438 1 7 VAL HB 1 12 VAL MG1 . . 3.740 2.987 2.844 3.188 . 0 0 "[ . 1 . 2]" 1
439 1 59 VAL HA 1 59 VAL MG1 . . 3.540 2.319 2.160 3.173 . 0 0 "[ . 1 . 2]" 1
440 1 5 VAL HA 1 5 VAL MG1 . . 3.610 2.273 2.198 2.366 . 0 0 "[ . 1 . 2]" 1
441 1 29 THR HB 1 30 THR MG . . 4.670 4.531 4.395 4.661 . 0 0 "[ . 1 . 2]" 1
442 1 50 VAL MG2 1 71 TYR HB2 . . 4.390 2.260 1.885 2.846 . 0 0 "[ . 1 . 2]" 1
443 1 27 VAL HA 1 27 VAL MG1 . . 3.590 3.188 3.182 3.199 . 0 0 "[ . 1 . 2]" 1
444 1 34 ALA MB 1 37 VAL MG1 . . 4.600 4.411 4.229 4.611 0.011 20 0 "[ . 1 . 2]" 1
445 1 20 PHE QB 1 23 VAL MG1 . . 3.830 2.048 1.884 3.004 . 0 0 "[ . 1 . 2]" 1
446 1 38 VAL MG1 1 66 ALA MB . . 4.260 3.003 1.914 3.996 . 0 0 "[ . 1 . 2]" 1
447 1 66 ALA MB 1 68 VAL MG2 . . 3.710 1.998 1.882 2.161 . 0 0 "[ . 1 . 2]" 1
448 1 51 VAL H 1 51 VAL MG1 . . 4.100 2.897 2.473 3.176 . 0 0 "[ . 1 . 2]" 1
449 1 20 PHE HA 1 21 PRO HD3 . . 3.840 2.825 2.815 2.834 . 0 0 "[ . 1 . 2]" 1
450 1 20 PHE HA 1 21 PRO HD2 . . 3.840 2.022 2.016 2.028 . 0 0 "[ . 1 . 2]" 1
451 1 7 VAL MG2 1 13 LYS HA . . 3.810 2.506 2.209 2.724 . 0 0 "[ . 1 . 2]" 1
452 1 7 VAL MG2 1 16 VAL HB . . 4.740 4.556 4.299 4.757 0.017 17 0 "[ . 1 . 2]" 1
453 1 7 VAL MG2 1 52 VAL HB . . 5.240 4.563 4.307 4.953 . 0 0 "[ . 1 . 2]" 1
454 1 7 VAL MG2 1 13 LYS QB . . 3.790 1.940 1.874 2.107 . 0 0 "[ . 1 . 2]" 1
455 1 68 VAL MG1 1 69 GLN H . . 4.600 3.520 3.272 3.665 . 0 0 "[ . 1 . 2]" 1
456 1 7 VAL MG2 1 27 VAL HA . . 3.780 2.544 1.953 2.915 . 0 0 "[ . 1 . 2]" 1
457 1 7 VAL MG2 1 12 VAL HB . . 4.300 2.450 1.957 2.932 . 0 0 "[ . 1 . 2]" 1
458 1 4 VAL H 1 49 VAL HA . . 3.810 2.844 2.037 3.164 . 0 0 "[ . 1 . 2]" 1
459 1 9 SER HA 1 10 GLU H . . 3.440 2.242 2.236 2.257 . 0 0 "[ . 1 . 2]" 1
460 1 75 SER HA 1 77 ASP H . . 4.800 4.259 4.097 4.405 . 0 0 "[ . 1 . 2]" 1
461 1 5 VAL HA 1 26 ARG H . . 5.350 5.187 4.982 5.326 . 0 0 "[ . 1 . 2]" 1
462 1 54 VAL MG1 1 55 SER H . . 4.180 2.223 2.067 2.325 . 0 0 "[ . 1 . 2]" 1
463 1 27 VAL H 1 27 VAL MG1 . . 3.980 1.927 1.884 1.996 . 0 0 "[ . 1 . 2]" 1
464 1 8 THR HA 1 28 VAL H . . 4.130 4.022 3.891 4.117 . 0 0 "[ . 1 . 2]" 1
465 1 3 VAL HA 1 47 GLN H . . 3.950 3.690 3.273 3.918 . 0 0 "[ . 1 . 2]" 1
466 1 3 VAL HA 1 48 LYS H . . 4.040 2.493 2.166 2.691 . 0 0 "[ . 1 . 2]" 1
467 1 68 VAL MG2 1 69 GLN H . . 4.600 3.300 3.101 3.568 . 0 0 "[ . 1 . 2]" 1
468 1 50 VAL H 1 50 VAL MG2 . . 3.630 2.543 2.077 2.767 . 0 0 "[ . 1 . 2]" 1
469 1 4 VAL HA 1 23 VAL MG2 . . 4.550 3.733 3.492 4.360 . 0 0 "[ . 1 . 2]" 1
470 1 4 VAL HA 1 4 VAL MG1 . . 3.280 2.327 2.235 2.404 . 0 0 "[ . 1 . 2]" 1
471 1 4 VAL MG2 1 41 VAL HB . . 4.350 2.856 2.248 3.932 . 0 0 "[ . 1 . 2]" 1
472 1 26 ARG HA 1 26 ARG QD . . 3.730 2.451 2.065 3.876 0.146 17 0 "[ . 1 . 2]" 1
473 1 27 VAL MG2 1 28 VAL HA . . 5.020 3.600 3.473 3.724 . 0 0 "[ . 1 . 2]" 1
474 1 6 VAL HA 1 7 VAL MG1 . . 4.240 3.607 3.433 3.943 . 0 0 "[ . 1 . 2]" 1
475 1 30 THR HA 1 31 GLU QG . . 3.740 3.723 3.620 3.954 0.214 4 0 "[ . 1 . 2]" 1
476 1 39 LYS QB 1 40 GLU QG . . 5.010 4.640 3.618 4.974 . 0 0 "[ . 1 . 2]" 1
477 1 4 VAL HB 1 49 VAL MG1 . . 4.540 3.435 2.333 4.589 0.049 1 0 "[ . 1 . 2]" 1
478 1 4 VAL HB 1 49 VAL MG2 . . 4.540 3.114 2.397 4.649 0.109 18 0 "[ . 1 . 2]" 1
479 1 66 ALA MB 1 68 VAL MG1 . . 3.710 2.958 2.626 3.330 . 0 0 "[ . 1 . 2]" 1
480 1 7 VAL MG2 1 27 VAL HB . . 4.070 2.252 2.016 2.494 . 0 0 "[ . 1 . 2]" 1
481 1 26 ARG QG 1 37 VAL MG1 . . 3.920 2.156 1.921 2.466 . 0 0 "[ . 1 . 2]" 1
482 1 3 VAL HA 1 3 VAL MG1 . . 3.740 2.646 2.199 3.202 . 0 0 "[ . 1 . 2]" 1
483 1 4 VAL HA 1 23 VAL MG1 . . 4.550 4.174 3.843 4.670 0.120 18 0 "[ . 1 . 2]" 1
484 1 60 GLN HA 1 63 LYS QB . . 4.490 2.522 2.435 2.662 . 0 0 "[ . 1 . 2]" 1
485 1 29 THR HA 1 29 THR MG . . 3.660 2.272 2.139 2.393 . 0 0 "[ . 1 . 2]" 1
486 1 30 THR HA 1 31 GLU HA . . 4.350 4.305 4.303 4.308 . 0 0 "[ . 1 . 2]" 1
487 1 31 GLU HA 1 34 ALA MB . . 3.700 3.065 2.761 3.246 . 0 0 "[ . 1 . 2]" 1
488 1 28 VAL MG1 1 34 ALA HA . . 4.210 2.042 1.913 2.456 . 0 0 "[ . 1 . 2]" 1
489 1 35 LYS HA 1 62 VAL MG1 . . 4.780 3.497 2.639 4.151 . 0 0 "[ . 1 . 2]" 1
490 1 35 LYS HA 1 38 VAL MG1 . . 4.910 3.725 2.159 4.534 . 0 0 "[ . 1 . 2]" 1
491 1 35 LYS HA 1 62 VAL MG2 . . 4.780 4.188 3.446 4.802 0.022 11 0 "[ . 1 . 2]" 1
492 1 34 ALA HA 1 37 VAL HB . . 4.250 2.404 2.225 2.659 . 0 0 "[ . 1 . 2]" 1
493 1 37 VAL HA 1 37 VAL MG1 . . 3.710 2.401 2.344 2.442 . 0 0 "[ . 1 . 2]" 1
494 1 5 VAL HA 1 6 VAL MG2 . . 4.410 3.657 3.444 3.835 . 0 0 "[ . 1 . 2]" 1
495 1 6 VAL MG2 1 51 VAL HA . . 4.950 3.490 3.175 3.673 . 0 0 "[ . 1 . 2]" 1
496 1 5 VAL HA 1 5 VAL MG2 . . 3.610 2.387 2.301 2.471 . 0 0 "[ . 1 . 2]" 1
497 1 27 VAL MG1 1 28 VAL HA . . 5.020 4.107 4.027 4.190 . 0 0 "[ . 1 . 2]" 1
498 1 62 VAL HA 1 62 VAL MG2 . . 3.600 2.444 2.274 3.195 . 0 0 "[ . 1 . 2]" 1
499 1 50 VAL HA 1 71 TYR HA . . 5.260 4.611 4.422 4.841 . 0 0 "[ . 1 . 2]" 1
500 1 70 VAL HA 1 71 TYR HA . . 5.500 4.417 4.394 4.463 . 0 0 "[ . 1 . 2]" 1
501 1 71 TYR HA 1 72 ARG HA . . 5.500 4.415 4.372 4.701 . 0 0 "[ . 1 . 2]" 1
502 1 74 THR HA 1 74 THR MG . . 3.680 2.350 1.968 3.205 . 0 0 "[ . 1 . 2]" 1
503 1 81 GLN HA 1 84 LYS QB . . 4.470 2.496 2.261 2.706 . 0 0 "[ . 1 . 2]" 1
504 1 51 VAL HB 1 54 VAL MG2 . . 4.000 2.138 1.948 4.113 0.113 15 0 "[ . 1 . 2]" 1
505 1 6 VAL HB 1 51 VAL HA . . 4.120 2.004 1.944 2.182 . 0 0 "[ . 1 . 2]" 1
506 1 20 PHE QB 1 23 VAL MG2 . . 3.830 3.551 1.820 3.834 0.004 7 0 "[ . 1 . 2]" 1
507 1 50 VAL MG2 1 71 TYR HB3 . . 4.390 3.158 2.178 4.113 . 0 0 "[ . 1 . 2]" 1
508 1 4 VAL MG1 1 24 GLU QB . . 4.090 2.785 2.131 3.144 . 0 0 "[ . 1 . 2]" 1
509 1 4 VAL MG2 1 24 GLU QB . . 3.330 2.110 1.897 2.414 . 0 0 "[ . 1 . 2]" 1
510 1 17 ARG HA 1 25 VAL HB . . 4.230 3.413 3.060 3.725 . 0 0 "[ . 1 . 2]" 1
511 1 57 LYS HA 1 60 GLN QB . . 4.210 2.527 2.421 2.596 . 0 0 "[ . 1 . 2]" 1
512 1 32 GLU HA 1 35 LYS QB . . 4.120 2.625 2.403 2.796 . 0 0 "[ . 1 . 2]" 1
513 1 36 GLN HA 1 39 LYS QB . . 4.070 2.915 2.566 3.395 . 0 0 "[ . 1 . 2]" 1
514 1 49 VAL HB 1 70 VAL HA . . 4.830 2.955 2.464 4.842 0.012 19 0 "[ . 1 . 2]" 1
515 1 4 VAL MG1 1 5 VAL HB . . 4.400 4.291 4.196 4.384 . 0 0 "[ . 1 . 2]" 1
516 1 41 VAL MG1 1 46 VAL HB . . 4.540 3.188 1.856 3.690 . 0 0 "[ . 1 . 2]" 1
517 1 41 VAL MG2 1 46 VAL HB . . 4.540 2.956 1.872 4.444 . 0 0 "[ . 1 . 2]" 1
518 1 26 ARG QB 1 37 VAL MG1 . . 3.870 1.896 1.794 2.757 . 0 0 "[ . 1 . 2]" 1
519 1 4 VAL HB 1 49 VAL HA . . 4.160 2.662 2.189 3.123 . 0 0 "[ . 1 . 2]" 1
520 1 50 VAL MG2 1 82 VAL HB . . 3.620 2.987 2.020 3.641 0.021 8 0 "[ . 1 . 2]" 1
521 1 50 VAL MG1 1 82 VAL HB . . 4.000 3.460 2.739 3.993 . 0 0 "[ . 1 . 2]" 1
522 1 71 TYR H 1 71 TYR QD . . 3.740 3.227 2.848 3.741 0.001 12 0 "[ . 1 . 2]" 1
523 1 50 VAL MG2 1 71 TYR QD . . 4.150 3.478 2.098 4.178 0.028 16 0 "[ . 1 . 2]" 1
524 1 20 PHE HA 1 20 PHE QD . . 3.650 2.600 2.220 2.922 . 0 0 "[ . 1 . 2]" 1
525 1 16 VAL HA 1 20 PHE QD . . 4.850 4.247 3.759 4.518 . 0 0 "[ . 1 . 2]" 1
526 1 50 VAL MG1 1 71 TYR QD . . 4.580 4.258 3.552 4.541 . 0 0 "[ . 1 . 2]" 1
527 1 71 TYR HA 1 71 TYR QD . . 3.960 2.879 2.107 3.088 . 0 0 "[ . 1 . 2]" 1
528 1 2 ARG QB 1 3 VAL H . . 3.420 2.924 2.724 3.334 . 0 0 "[ . 1 . 2]" 1
529 1 2 ARG QB 1 46 VAL HA . . 4.330 2.168 1.960 2.346 . 0 0 "[ . 1 . 2]" 1
530 1 2 ARG QB 1 47 GLN H . . 4.120 1.951 1.850 2.175 . 0 0 "[ . 1 . 2]" 1
531 1 2 ARG QB 1 48 LYS H . . 4.670 3.136 2.974 3.376 . 0 0 "[ . 1 . 2]" 1
532 1 2 ARG QG 1 3 VAL H . . 4.750 3.464 2.582 4.413 . 0 0 "[ . 1 . 2]" 1
533 1 3 VAL H 1 3 VAL QG . . 3.590 2.456 2.210 2.945 . 0 0 "[ . 1 . 2]" 1
534 1 3 VAL HB 1 86 VAL QG . . 4.450 3.333 1.928 4.452 0.002 17 0 "[ . 1 . 2]" 1
535 1 3 VAL QG 1 4 VAL H . . 3.390 2.528 1.900 3.348 . 0 0 "[ . 1 . 2]" 1
536 1 3 VAL QG 1 4 VAL HA . . 4.030 3.488 3.255 3.796 . 0 0 "[ . 1 . 2]" 1
537 1 3 VAL QG 1 83 VAL HA . . 3.590 2.634 2.051 2.974 . 0 0 "[ . 1 . 2]" 1
538 1 3 VAL QG 1 83 VAL QG . . 4.230 2.562 1.770 3.318 . 0 0 "[ . 1 . 2]" 1
539 1 3 VAL QG 1 86 VAL HA . . 4.220 2.166 2.008 2.839 . 0 0 "[ . 1 . 2]" 1
540 1 4 VAL HA 1 5 VAL QG . . 4.110 3.471 3.322 3.594 . 0 0 "[ . 1 . 2]" 1
541 1 4 VAL HA 1 23 VAL QG . . 3.840 3.478 3.339 4.006 0.166 18 0 "[ . 1 . 2]" 1
542 1 4 VAL HB 1 41 VAL QG . . 3.980 3.588 3.249 3.999 0.019 17 0 "[ . 1 . 2]" 1
543 1 4 VAL HB 1 49 VAL QG . . 3.910 2.789 2.327 3.076 . 0 0 "[ . 1 . 2]" 1
544 1 5 VAL H 1 5 VAL QG . . 3.870 2.463 2.206 2.586 . 0 0 "[ . 1 . 2]" 1
545 1 5 VAL H 1 23 VAL QG . . 4.440 3.629 3.516 4.182 . 0 0 "[ . 1 . 2]" 1
546 1 5 VAL H 1 25 VAL QG . . 4.590 3.953 2.936 4.415 . 0 0 "[ . 1 . 2]" 1
547 1 5 VAL HA 1 5 VAL QG . . 3.070 2.070 2.038 2.115 . 0 0 "[ . 1 . 2]" 1
548 1 5 VAL HB 1 16 VAL QG . . 4.170 2.331 1.963 2.565 . 0 0 "[ . 1 . 2]" 1
549 1 5 VAL HB 1 25 VAL QG . . 3.920 2.955 2.058 3.387 . 0 0 "[ . 1 . 2]" 1
550 1 5 VAL QG 1 6 VAL H . . 3.130 2.484 2.221 2.731 . 0 0 "[ . 1 . 2]" 1
551 1 5 VAL QG 1 16 VAL QG . . 2.840 1.874 1.737 2.028 . 0 0 "[ . 1 . 2]" 1
552 1 5 VAL QG 1 25 VAL QG . . 3.710 3.186 2.476 3.477 . 0 0 "[ . 1 . 2]" 1
553 1 5 VAL QG 1 50 VAL H . . 4.730 4.074 3.563 4.424 . 0 0 "[ . 1 . 2]" 1
554 1 5 VAL QG 1 79 VAL QG . . 3.770 1.981 1.690 2.353 . 0 0 "[ . 1 . 2]" 1
555 1 6 VAL HB 1 51 VAL QG . . 3.540 1.949 1.905 2.070 . 0 0 "[ . 1 . 2]" 1
556 1 7 VAL H 1 25 VAL QG . . 4.700 4.659 4.428 4.724 0.024 1 0 "[ . 1 . 2]" 1
557 1 7 VAL H 1 27 VAL QG . . 4.250 3.087 2.747 3.337 . 0 0 "[ . 1 . 2]" 1
558 1 7 VAL H 1 28 VAL QG . . 4.710 3.682 3.500 4.120 . 0 0 "[ . 1 . 2]" 1
559 1 7 VAL MG1 1 16 VAL QG . . 3.780 2.292 2.048 2.846 . 0 0 "[ . 1 . 2]" 1
560 1 7 VAL MG1 1 52 VAL QG . . 3.150 2.160 1.905 2.479 . 0 0 "[ . 1 . 2]" 1
561 1 7 VAL MG2 1 16 VAL QG . . 4.730 3.552 3.440 3.734 . 0 0 "[ . 1 . 2]" 1
562 1 7 VAL MG2 1 25 VAL QG . . 3.730 3.715 3.442 3.776 0.046 20 0 "[ . 1 . 2]" 1
563 1 8 THR HA 1 27 VAL QG . . 4.470 3.480 3.286 3.637 . 0 0 "[ . 1 . 2]" 1
564 1 8 THR HA 1 54 VAL QG . . 3.850 3.368 2.982 3.630 . 0 0 "[ . 1 . 2]" 1
565 1 8 THR MG 1 54 VAL QG . . 3.340 2.388 1.814 3.346 0.006 1 0 "[ . 1 . 2]" 1
566 1 9 SER QB 1 10 GLU H . . 3.570 3.039 2.809 3.505 . 0 0 "[ . 1 . 2]" 1
567 1 9 SER QB 1 11 GLN H . . 3.580 2.719 2.467 3.239 . 0 0 "[ . 1 . 2]" 1
568 1 9 SER QB 1 12 VAL H . . 4.650 2.629 2.477 2.823 . 0 0 "[ . 1 . 2]" 1
569 1 10 GLU H 1 11 GLN QB . . 4.610 4.318 4.189 4.472 . 0 0 "[ . 1 . 2]" 1
570 1 10 GLU H 1 27 VAL QG . . 4.320 3.649 3.301 3.865 . 0 0 "[ . 1 . 2]" 1
571 1 10 GLU HA 1 27 VAL QG . . 3.590 2.556 2.344 2.754 . 0 0 "[ . 1 . 2]" 1
572 1 10 GLU QG 1 11 GLN QB . . 4.130 3.426 3.243 3.762 . 0 0 "[ . 1 . 2]" 1
573 1 11 GLN H 1 11 GLN QB . . 3.040 2.103 2.039 2.256 . 0 0 "[ . 1 . 2]" 1
574 1 11 GLN QB 1 12 VAL H . . 3.560 2.456 2.327 2.559 . 0 0 "[ . 1 . 2]" 1
575 1 11 GLN QB 1 12 VAL MG2 . . 4.100 3.019 2.876 3.119 . 0 0 "[ . 1 . 2]" 1
576 1 13 LYS HA 1 16 VAL QG . . 3.780 2.769 2.507 2.934 . 0 0 "[ . 1 . 2]" 1
577 1 13 LYS QB 1 27 VAL QG . . 3.510 2.528 2.362 2.626 . 0 0 "[ . 1 . 2]" 1
578 1 13 LYS QG 1 25 VAL QG . . 3.530 2.022 1.780 2.384 . 0 0 "[ . 1 . 2]" 1
579 1 13 LYS QG 1 27 VAL QG . . 4.230 2.463 1.983 2.964 . 0 0 "[ . 1 . 2]" 1
580 1 15 GLU H 1 16 VAL QG . . 4.390 4.066 4.006 4.110 . 0 0 "[ . 1 . 2]" 1
581 1 15 GLU HA 1 18 LYS QD . . 4.400 3.561 2.027 4.380 . 0 0 "[ . 1 . 2]" 1
582 1 16 VAL H 1 16 VAL QG . . 2.950 2.267 2.205 2.340 . 0 0 "[ . 1 . 2]" 1
583 1 16 VAL QG 1 17 ARG H . . 4.290 3.103 3.021 3.280 . 0 0 "[ . 1 . 2]" 1
584 1 16 VAL QG 1 20 PHE H . . 4.530 3.775 3.542 3.911 . 0 0 "[ . 1 . 2]" 1
585 1 16 VAL QG 1 20 PHE QB . . 4.030 3.582 3.213 3.757 . 0 0 "[ . 1 . 2]" 1
586 1 16 VAL QG 1 20 PHE QD . . 3.420 3.040 2.500 3.429 0.009 5 0 "[ . 1 . 2]" 1
587 1 17 ARG H 1 25 VAL QG . . 4.550 3.042 2.795 3.327 . 0 0 "[ . 1 . 2]" 1
588 1 17 ARG HA 1 25 VAL QG . . 3.960 2.631 2.170 2.952 . 0 0 "[ . 1 . 2]" 1
589 1 18 LYS H 1 19 LYS QB . . 4.500 4.278 4.148 4.457 . 0 0 "[ . 1 . 2]" 1
590 1 19 LYS H 1 19 LYS QB . . 3.060 2.162 2.046 2.329 . 0 0 "[ . 1 . 2]" 1
591 1 19 LYS QB 1 20 PHE H . . 3.760 2.616 2.487 2.713 . 0 0 "[ . 1 . 2]" 1
592 1 19 LYS QB 1 20 PHE QD . . 4.190 2.894 2.096 3.508 . 0 0 "[ . 1 . 2]" 1
593 1 20 PHE HA 1 21 PRO QD . . 3.270 1.980 1.974 1.986 . 0 0 "[ . 1 . 2]" 1
594 1 20 PHE QB 1 23 VAL QG . . 3.270 1.979 1.805 2.147 . 0 0 "[ . 1 . 2]" 1
595 1 20 PHE QD 1 21 PRO QD . . 5.270 3.985 3.624 4.252 . 0 0 "[ . 1 . 2]" 1
596 1 20 PHE QD 1 83 VAL QG . . 3.950 2.920 2.321 3.296 . 0 0 "[ . 1 . 2]" 1
597 1 21 PRO QG 1 22 GLN H . . 4.000 2.481 2.228 2.608 . 0 0 "[ . 1 . 2]" 1
598 1 21 PRO QD 1 22 GLN H . . 4.420 2.616 2.602 2.635 . 0 0 "[ . 1 . 2]" 1
599 1 23 VAL HB 1 83 VAL QG . . 3.740 3.501 2.882 3.773 0.033 17 0 "[ . 1 . 2]" 1
600 1 23 VAL QG 1 83 VAL QG . . 4.760 2.373 2.032 2.675 . 0 0 "[ . 1 . 2]" 1
601 1 25 VAL H 1 25 VAL QG . . 3.970 2.150 2.003 2.839 . 0 0 "[ . 1 . 2]" 1
602 1 25 VAL QG 1 26 ARG H . . 3.620 2.489 2.388 2.709 . 0 0 "[ . 1 . 2]" 1
603 1 25 VAL QG 1 26 ARG HA . . 3.740 3.344 3.254 3.546 . 0 0 "[ . 1 . 2]" 1
604 1 26 ARG HA 1 27 VAL QG . . 4.180 3.602 3.523 3.664 . 0 0 "[ . 1 . 2]" 1
605 1 27 VAL H 1 27 VAL QG . . 3.040 1.921 1.879 1.989 . 0 0 "[ . 1 . 2]" 1
606 1 27 VAL H 1 28 VAL QG . . 5.190 4.214 4.102 4.323 . 0 0 "[ . 1 . 2]" 1
607 1 27 VAL QG 1 28 VAL H . . 3.580 2.368 2.186 2.595 . 0 0 "[ . 1 . 2]" 1
608 1 27 VAL QG 1 28 VAL HA . . 4.060 3.382 3.295 3.483 . 0 0 "[ . 1 . 2]" 1
609 1 27 VAL QG 1 29 THR MG . . 3.550 2.717 2.577 2.792 . 0 0 "[ . 1 . 2]" 1
610 1 28 VAL H 1 28 VAL QG . . 3.600 2.135 2.001 2.556 . 0 0 "[ . 1 . 2]" 1
611 1 28 VAL HA 1 33 ASP QB . . 4.590 2.854 2.444 3.299 . 0 0 "[ . 1 . 2]" 1
612 1 28 VAL QG 1 29 THR H . . 4.770 3.114 1.980 3.448 . 0 0 "[ . 1 . 2]" 1
613 1 28 VAL QG 1 30 THR H . . 4.800 3.791 2.349 4.249 . 0 0 "[ . 1 . 2]" 1
614 1 28 VAL QG 1 33 ASP QB . . 3.870 2.915 1.871 3.537 . 0 0 "[ . 1 . 2]" 1
615 1 28 VAL QG 1 34 ALA H . . 3.860 3.137 2.103 3.464 . 0 0 "[ . 1 . 2]" 1
616 1 28 VAL QG 1 34 ALA HA . . 3.570 1.978 1.907 2.132 . 0 0 "[ . 1 . 2]" 1
617 1 28 VAL QG 1 34 ALA MB . . 3.190 2.145 1.815 2.532 . 0 0 "[ . 1 . 2]" 1
618 1 29 THR H 1 33 ASP QB . . 4.090 2.573 2.344 2.905 . 0 0 "[ . 1 . 2]" 1
619 1 30 THR H 1 33 ASP QB . . 3.220 2.257 2.040 2.483 . 0 0 "[ . 1 . 2]" 1
620 1 33 ASP H 1 33 ASP QB . . 3.020 2.147 2.053 2.320 . 0 0 "[ . 1 . 2]" 1
621 1 33 ASP QB 1 34 ALA H . . 3.360 2.432 2.289 2.585 . 0 0 "[ . 1 . 2]" 1
622 1 34 ALA MB 1 38 VAL QG . . 4.320 3.177 2.872 3.779 . 0 0 "[ . 1 . 2]" 1
623 1 34 ALA MB 1 62 VAL QG . . 3.520 3.005 2.419 3.440 . 0 0 "[ . 1 . 2]" 1
624 1 35 LYS H 1 38 VAL QG . . 4.480 4.000 3.825 4.151 . 0 0 "[ . 1 . 2]" 1
625 1 35 LYS H 1 62 VAL QG . . 4.460 4.232 3.662 4.514 0.054 17 0 "[ . 1 . 2]" 1
626 1 35 LYS HA 1 38 VAL QG . . 4.250 2.373 2.119 2.749 . 0 0 "[ . 1 . 2]" 1
627 1 35 LYS QB 1 38 VAL QG . . 4.460 4.048 3.772 4.368 . 0 0 "[ . 1 . 2]" 1
628 1 35 LYS QG 1 38 VAL QG . . 4.340 3.616 3.220 4.238 . 0 0 "[ . 1 . 2]" 1
629 1 38 VAL H 1 38 VAL QG . . 3.050 2.026 1.847 2.190 . 0 0 "[ . 1 . 2]" 1
630 1 38 VAL H 1 41 VAL QG . . 4.870 3.952 3.777 4.548 . 0 0 "[ . 1 . 2]" 1
631 1 38 VAL HA 1 41 VAL QG . . 3.550 2.156 1.894 3.092 . 0 0 "[ . 1 . 2]" 1
632 1 38 VAL QG 1 39 LYS H . . 4.080 2.653 2.090 3.226 . 0 0 "[ . 1 . 2]" 1
633 1 38 VAL QG 1 39 LYS QB . . 4.700 3.669 2.864 4.512 . 0 0 "[ . 1 . 2]" 1
634 1 38 VAL QG 1 66 ALA MB . . 3.330 2.619 1.901 3.339 0.009 4 0 "[ . 1 . 2]" 1
635 1 40 GLU H 1 41 VAL QG . . 4.780 3.699 3.525 4.078 . 0 0 "[ . 1 . 2]" 1
636 1 41 VAL H 1 41 VAL QG . . 3.250 1.934 1.819 2.230 . 0 0 "[ . 1 . 2]" 1
637 1 41 VAL HB 1 46 VAL QG . . 4.400 2.689 2.067 4.040 . 0 0 "[ . 1 . 2]" 1
638 1 41 VAL QG 1 42 GLN H . . 3.690 2.245 2.086 3.269 . 0 0 "[ . 1 . 2]" 1
639 1 41 VAL QG 1 42 GLN HA . . 3.720 3.142 2.906 3.794 0.074 6 0 "[ . 1 . 2]" 1
640 1 41 VAL QG 1 44 LYS QB . . 4.200 3.545 2.986 3.825 . 0 0 "[ . 1 . 2]" 1
641 1 41 VAL QG 1 46 VAL HB . . 3.890 2.547 1.760 3.023 . 0 0 "[ . 1 . 2]" 1
642 1 44 LYS H 1 46 VAL QG . . 5.440 4.927 4.381 5.193 . 0 0 "[ . 1 . 2]" 1
643 1 46 VAL H 1 46 VAL QG . . 3.050 2.131 1.997 2.526 . 0 0 "[ . 1 . 2]" 1
644 1 46 VAL HA 1 46 VAL QG . . 3.130 2.198 2.120 2.287 . 0 0 "[ . 1 . 2]" 1
645 1 46 VAL QG 1 47 GLN H . . 3.650 2.028 1.925 2.205 . 0 0 "[ . 1 . 2]" 1
646 1 46 VAL QG 1 48 LYS H . . 3.480 2.435 2.238 2.802 . 0 0 "[ . 1 . 2]" 1
647 1 46 VAL QG 1 49 VAL H . . 4.870 4.465 3.493 4.685 . 0 0 "[ . 1 . 2]" 1
648 1 47 GLN H 1 47 GLN QB . . 3.530 2.518 2.448 2.589 . 0 0 "[ . 1 . 2]" 1
649 1 48 LYS QB 1 48 LYS QG . . 2.360 2.030 2.005 2.084 . 0 0 "[ . 1 . 2]" 1
650 1 49 VAL H 1 49 VAL QG . . 3.570 2.790 1.857 3.016 . 0 0 "[ . 1 . 2]" 1
651 1 49 VAL QG 1 50 VAL H . . 3.700 2.810 2.524 3.487 . 0 0 "[ . 1 . 2]" 1
652 1 50 VAL MG1 1 71 TYR QB . . 4.620 2.655 2.121 3.171 . 0 0 "[ . 1 . 2]" 1
653 1 50 VAL MG1 1 82 VAL QG . . 3.380 2.270 1.772 2.752 . 0 0 "[ . 1 . 2]" 1
654 1 50 VAL MG2 1 71 TYR QB . . 3.720 2.204 1.783 2.713 . 0 0 "[ . 1 . 2]" 1
655 1 50 VAL MG2 1 82 VAL QG . . 3.240 1.886 1.702 2.299 . 0 0 "[ . 1 . 2]" 1
656 1 51 VAL H 1 51 VAL QG . . 3.480 2.150 1.938 2.449 . 0 0 "[ . 1 . 2]" 1
657 1 51 VAL HB 1 54 VAL QG . . 3.380 2.093 1.930 3.619 0.239 15 0 "[ . 1 . 2]" 1
658 1 51 VAL HB 1 59 VAL QG . . 4.200 3.197 2.361 4.180 . 0 0 "[ . 1 . 2]" 1
659 1 51 VAL QG 1 52 VAL H . . 3.980 3.289 2.062 3.427 . 0 0 "[ . 1 . 2]" 1
660 1 51 VAL QG 1 52 VAL HA . . 4.390 3.766 3.242 4.015 . 0 0 "[ . 1 . 2]" 1
661 1 51 VAL QG 1 54 VAL H . . 4.610 3.242 2.780 3.495 . 0 0 "[ . 1 . 2]" 1
662 1 51 VAL QG 1 54 VAL HB . . 3.130 1.972 1.737 2.277 . 0 0 "[ . 1 . 2]" 1
663 1 51 VAL QG 1 54 VAL QG . . 2.950 2.298 1.653 2.595 . 0 0 "[ . 1 . 2]" 1
664 1 51 VAL QG 1 59 VAL HB . . 3.900 3.040 2.348 3.530 . 0 0 "[ . 1 . 2]" 1
665 1 51 VAL QG 1 72 ARG QB . . 4.730 3.241 2.296 3.984 . 0 0 "[ . 1 . 2]" 1
666 1 51 VAL QG 1 72 ARG QG . . 4.650 3.418 1.977 4.680 0.030 9 0 "[ . 1 . 2]" 1
667 1 51 VAL QG 1 73 VAL H . . 4.240 3.354 3.143 3.587 . 0 0 "[ . 1 . 2]" 1
668 1 52 VAL H 1 52 VAL QG . . 3.600 2.577 2.295 2.798 . 0 0 "[ . 1 . 2]" 1
669 1 52 VAL H 1 54 VAL QG . . 3.270 2.679 2.256 3.113 . 0 0 "[ . 1 . 2]" 1
670 1 52 VAL H 1 79 VAL QG . . 5.440 5.266 4.799 5.482 0.042 1 0 "[ . 1 . 2]" 1
671 1 52 VAL HA 1 54 VAL QG . . 4.850 4.037 3.833 4.390 . 0 0 "[ . 1 . 2]" 1
672 1 52 VAL QG 1 53 GLY H . . 3.830 2.425 2.086 2.715 . 0 0 "[ . 1 . 2]" 1
673 1 52 VAL QG 1 79 VAL QG . . 3.980 2.128 1.802 2.626 . 0 0 "[ . 1 . 2]" 1
674 1 54 VAL H 1 54 VAL QG . . 3.890 2.481 2.319 2.883 . 0 0 "[ . 1 . 2]" 1
675 1 54 VAL HB 1 59 VAL QG . . 4.180 2.807 2.602 3.693 . 0 0 "[ . 1 . 2]" 1
676 1 54 VAL QG 1 55 SER H . . 3.370 2.210 2.059 2.310 . 0 0 "[ . 1 . 2]" 1
677 1 55 SER H 1 55 SER QB . . 3.240 2.774 2.288 2.927 . 0 0 "[ . 1 . 2]" 1
678 1 55 SER H 1 59 VAL QG . . 4.610 4.219 4.057 4.686 0.076 17 0 "[ . 1 . 2]" 1
679 1 55 SER QB 1 56 GLU H . . 4.340 2.977 2.833 3.230 . 0 0 "[ . 1 . 2]" 1
680 1 55 SER QB 1 57 LYS H . . 3.680 2.959 2.765 3.320 . 0 0 "[ . 1 . 2]" 1
681 1 56 GLU HA 1 59 VAL QG . . 3.900 1.956 1.872 2.946 . 0 0 "[ . 1 . 2]" 1
682 1 57 LYS H 1 57 LYS QG . . 3.820 2.239 1.907 2.387 . 0 0 "[ . 1 . 2]" 1
683 1 57 LYS H 1 58 VAL QG . . 4.310 3.991 3.911 4.125 . 0 0 "[ . 1 . 2]" 1
684 1 57 LYS QG 1 58 VAL QG . . 3.940 2.163 2.032 2.274 . 0 0 "[ . 1 . 2]" 1
685 1 57 LYS QG 1 59 VAL H . . 4.870 4.546 4.424 4.631 . 0 0 "[ . 1 . 2]" 1
686 1 58 VAL H 1 58 VAL QG . . 3.400 2.140 1.994 2.332 . 0 0 "[ . 1 . 2]" 1
687 1 59 VAL HA 1 59 VAL QG . . 3.090 2.225 2.127 2.345 . 0 0 "[ . 1 . 2]" 1
688 1 59 VAL HA 1 62 VAL QG . . 4.720 3.111 1.987 3.405 . 0 0 "[ . 1 . 2]" 1
689 1 59 VAL QG 1 60 GLN H . . 3.960 2.142 1.888 3.331 . 0 0 "[ . 1 . 2]" 1
690 1 61 LYS H 1 61 LYS QG . . 4.520 3.587 2.695 4.045 . 0 0 "[ . 1 . 2]" 1
691 1 62 VAL H 1 62 VAL QG . . 3.040 2.087 1.805 2.200 . 0 0 "[ . 1 . 2]" 1
692 1 62 VAL QG 1 63 LYS H . . 3.660 2.984 1.954 3.252 . 0 0 "[ . 1 . 2]" 1
693 1 62 VAL QG 1 63 LYS HA . . 4.290 3.441 3.239 3.552 . 0 0 "[ . 1 . 2]" 1
694 1 65 GLU H 1 65 GLU QB . . 3.490 2.391 2.101 2.674 . 0 0 "[ . 1 . 2]" 1
695 1 65 GLU H 1 65 GLU QG . . 3.580 2.625 2.043 3.528 . 0 0 "[ . 1 . 2]" 1
696 1 65 GLU HA 1 65 GLU QG . . 3.720 2.660 2.010 3.339 . 0 0 "[ . 1 . 2]" 1
697 1 65 GLU QB 1 65 GLU QG . . 2.360 2.048 1.969 2.086 . 0 0 "[ . 1 . 2]" 1
698 1 65 GLU QB 1 66 ALA H . . 4.070 3.520 3.330 3.859 . 0 0 "[ . 1 . 2]" 1
699 1 66 ALA MB 1 68 VAL QG . . 3.150 1.962 1.864 2.098 . 0 0 "[ . 1 . 2]" 1
700 1 67 ASN H 1 68 VAL QG . . 4.630 3.487 3.391 3.586 . 0 0 "[ . 1 . 2]" 1
701 1 68 VAL H 1 68 VAL QG . . 3.470 2.153 2.069 2.299 . 0 0 "[ . 1 . 2]" 1
702 1 68 VAL QG 1 69 GLN H . . 3.950 3.016 2.940 3.065 . 0 0 "[ . 1 . 2]" 1
703 1 70 VAL H 1 70 VAL QG . . 3.310 2.237 1.897 2.672 . 0 0 "[ . 1 . 2]" 1
704 1 70 VAL QG 1 71 TYR H . . 4.660 2.230 1.956 2.608 . 0 0 "[ . 1 . 2]" 1
705 1 71 TYR H 1 71 TYR QB . . 3.550 2.552 2.404 2.899 . 0 0 "[ . 1 . 2]" 1
706 1 71 TYR QB 1 72 ARG H . . 4.240 3.032 2.501 3.917 . 0 0 "[ . 1 . 2]" 1
707 1 73 VAL H 1 73 VAL QG . . 3.990 2.481 2.095 2.978 . 0 0 "[ . 1 . 2]" 1
708 1 73 VAL QG 1 74 THR HA . . 4.620 3.747 3.383 4.101 . 0 0 "[ . 1 . 2]" 1
709 1 73 VAL QG 1 75 SER H . . 4.210 3.002 1.991 3.984 . 0 0 "[ . 1 . 2]" 1
710 1 73 VAL QG 1 78 GLU QB . . 4.220 1.891 1.667 2.402 . 0 0 "[ . 1 . 2]" 1
711 1 73 VAL QG 1 79 VAL HB . . 4.660 3.814 1.973 4.407 . 0 0 "[ . 1 . 2]" 1
712 1 73 VAL QG 1 79 VAL QG . . 3.540 1.851 1.635 2.632 . 0 0 "[ . 1 . 2]" 1
713 1 75 SER QB 1 77 ASP H . . 3.920 2.595 2.377 3.069 . 0 0 "[ . 1 . 2]" 1
714 1 76 ASN QB 1 77 ASP H . . 3.690 2.924 2.597 3.508 . 0 0 "[ . 1 . 2]" 1
715 1 77 ASP H 1 77 ASP QB . . 3.350 2.192 2.045 2.435 . 0 0 "[ . 1 . 2]" 1
716 1 78 GLU H 1 79 VAL QG . . 4.710 3.767 3.425 3.977 . 0 0 "[ . 1 . 2]" 1
717 1 79 VAL H 1 79 VAL QG . . 3.450 2.169 1.824 2.365 . 0 0 "[ . 1 . 2]" 1
718 1 79 VAL QG 1 80 GLU H . . 4.560 3.034 1.943 3.194 . 0 0 "[ . 1 . 2]" 1
719 1 82 VAL QG 1 83 VAL H . . 3.820 2.624 1.937 3.096 . 0 0 "[ . 1 . 2]" 1
720 1 83 VAL QG 1 84 LYS H . . 4.250 2.805 1.939 3.253 . 0 0 "[ . 1 . 2]" 1
721 1 85 ASP H 1 85 ASP QB . . 3.450 2.206 2.055 2.578 . 0 0 "[ . 1 . 2]" 1
722 1 85 ASP QB 1 86 VAL H . . 4.400 3.043 2.820 3.828 . 0 0 "[ . 1 . 2]" 1
723 1 86 VAL H 1 86 VAL QG . . 3.380 2.667 2.393 3.091 . 0 0 "[ . 1 . 2]" 1
724 1 86 VAL QG 1 87 LYS H . . 4.460 3.195 2.855 3.733 . 0 0 "[ . 1 . 2]" 1
725 1 91 LEU H 1 91 LEU QD . . 4.550 3.459 2.158 4.130 . 0 0 "[ . 1 . 2]" 1
726 1 91 LEU HA 1 91 LEU QD . . 3.460 2.481 1.929 3.409 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 160
_Distance_constraint_stats_list.Viol_count 2562
_Distance_constraint_stats_list.Viol_total 27284.082
_Distance_constraint_stats_list.Viol_max 0.979
_Distance_constraint_stats_list.Viol_rms 0.2821
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4263
_Distance_constraint_stats_list.Viol_average_violations_only 0.5325
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 42.070 0.719 17 20 [****************+***]
1 11 GLN 57.047 0.860 18 20 [**-**************+**]
1 12 VAL 31.557 0.707 18 11 "[ ** . -**** * *+*2]"
1 13 LYS 20.723 0.414 10 0 "[ . 1 . 2]"
1 14 GLU 84.421 0.719 17 20 [****************+***]
1 15 GLU 102.341 0.860 18 20 [*****************+*-]
1 16 VAL 31.557 0.707 18 11 "[ ** . -**** * *+*2]"
1 17 ARG 20.723 0.414 10 0 "[ . 1 . 2]"
1 18 LYS 42.351 0.680 9 20 [********+**********-]
1 19 LYS 45.294 0.668 2 20 [*+*****************-]
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 55.071 0.842 16 20 [**************-+****]
1 31 GLU 48.887 0.776 4 20 [***+***************-]
1 32 GLU 57.459 0.921 11 20 [****-*****+*********]
1 33 ASP 45.457 0.757 2 20 [*+*************-****]
1 34 ALA 75.577 0.842 16 20 [**************-+****]
1 35 LYS 102.282 0.921 16 20 [***************+***-]
1 36 GLN 99.964 0.921 11 20 [********-*+*********]
1 37 VAL 82.641 0.812 14 20 [*************+*-****]
1 38 VAL 47.960 0.531 17 3 "[ . - 1 .*+ 2]"
1 39 LYS 103.201 0.921 16 20 [-**************+****]
1 40 GLU 99.680 0.876 10 20 [********-+**********]
1 41 VAL 37.183 0.812 14 16 "[*********1** +* -**]"
1 42 GLN 27.454 0.531 17 3 "[ . - 1 .*+ 2]"
1 43 LYS 49.806 0.826 17 20 [-***************+***]
1 44 LYS 57.175 0.876 10 20 [*********+*******-**]
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.261 0.141 13 0 "[ . 1 . 2]"
1 55 SER 58.232 0.900 15 20 [**************+*-***]
1 56 GLU 14.621 0.344 17 0 "[ . 1 . 2]"
1 57 LYS 55.234 0.767 17 20 [****-***********+***]
1 58 VAL 64.232 0.979 13 20 [************+****-**]
1 59 VAL 76.026 0.900 15 20 [****-*********+*****]
1 60 GLN 54.156 0.683 5 20 [****+*-*************]
1 61 LYS 112.696 0.896 13 20 [****-*******+*******]
1 62 VAL 96.425 0.979 13 20 [*******-****+*******]
1 63 LYS 17.794 0.547 5 1 "[ + 1 . 2]"
1 64 GLN 39.535 0.683 5 20 [****+*-*************]
1 65 GLU 57.462 0.896 13 20 [************+***-***]
1 66 ALA 32.193 0.710 12 20 [*******-***+********]
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 0.261 0.141 13 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 56.865 0.880 5 20 [****+**************-]
1 77 ASP 42.142 0.621 6 20 [*****+*-************]
1 78 GLU 35.417 0.619 3 11 "[ -+ .** ** *.** **]"
1 79 VAL 47.163 0.778 17 20 [*******-********+***]
1 80 GLU 75.026 0.880 5 20 [****+**************-]
1 81 GLN 101.527 0.917 1 20 [+******-************]
1 82 VAL 66.985 0.695 12 16 "[*-******** + *.** **]"
1 83 VAL 47.163 0.778 17 20 [*******-********+***]
1 84 LYS 18.160 0.433 5 0 "[ . 1 . 2]"
1 85 ASP 59.386 0.917 1 20 [+***********-*******]
1 86 VAL 31.568 0.695 12 15 "[*********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 5 VAL H 1 24 GLU O . . 3.000 2.365 2.247 2.439 . 0 0 "[ . 1 . 2]" 2
2 1 5 VAL H 1 24 GLU C . . 4.000 3.476 3.379 3.564 . 0 0 "[ . 1 . 2]" 2
3 1 5 VAL N 1 24 GLU O . . 4.000 3.325 3.170 3.407 . 0 0 "[ . 1 . 2]" 2
4 1 5 VAL N 1 24 GLU C . . 5.000 4.440 4.323 4.530 . 0 0 "[ . 1 . 2]" 2
5 1 51 VAL O 1 73 VAL H . . 3.000 2.099 1.828 2.346 . 0 0 "[ . 1 . 2]" 2
6 1 51 VAL C 1 73 VAL H . . 4.000 3.302 3.001 3.551 . 0 0 "[ . 1 . 2]" 2
7 1 51 VAL O 1 73 VAL N . . 4.000 2.920 2.692 3.169 . 0 0 "[ . 1 . 2]" 2
8 1 51 VAL C 1 73 VAL N . . 5.000 4.123 3.898 4.372 . 0 0 "[ . 1 . 2]" 2
9 1 51 VAL H 1 71 TYR O . . 3.000 2.158 1.892 3.141 0.141 13 0 "[ . 1 . 2]" 2
10 1 51 VAL H 1 71 TYR C . . 4.000 3.257 3.084 3.379 . 0 0 "[ . 1 . 2]" 2
11 1 51 VAL N 1 71 TYR O . . 4.000 3.065 2.811 3.994 . 0 0 "[ . 1 . 2]" 2
12 1 51 VAL N 1 71 TYR C . . 5.000 4.182 4.032 4.302 . 0 0 "[ . 1 . 2]" 2
13 1 49 VAL O 1 71 TYR H . . 3.000 1.841 1.762 1.916 . 0 0 "[ . 1 . 2]" 2
14 1 49 VAL C 1 71 TYR H . . 4.000 3.025 2.956 3.144 . 0 0 "[ . 1 . 2]" 2
15 1 49 VAL O 1 71 TYR N . . 4.000 2.766 2.724 2.820 . 0 0 "[ . 1 . 2]" 2
16 1 49 VAL C 1 71 TYR N . . 5.000 3.946 3.887 4.034 . 0 0 "[ . 1 . 2]" 2
17 1 49 VAL H 1 69 GLN O . . 3.000 2.380 1.891 2.685 . 0 0 "[ . 1 . 2]" 2
18 1 49 VAL H 1 69 GLN C . . 4.000 3.549 3.097 3.813 . 0 0 "[ . 1 . 2]" 2
19 1 49 VAL N 1 69 GLN O . . 4.000 3.082 2.792 3.339 . 0 0 "[ . 1 . 2]" 2
20 1 49 VAL N 1 69 GLN C . . 5.000 4.290 4.010 4.514 . 0 0 "[ . 1 . 2]" 2
21 1 7 VAL O 1 28 VAL H . . 3.000 2.265 2.141 2.328 . 0 0 "[ . 1 . 2]" 2
22 1 7 VAL C 1 28 VAL H . . 4.000 3.428 3.326 3.487 . 0 0 "[ . 1 . 2]" 2
23 1 7 VAL O 1 28 VAL N . . 4.000 3.104 2.995 3.175 . 0 0 "[ . 1 . 2]" 2
24 1 7 VAL C 1 28 VAL N . . 5.000 4.303 4.208 4.373 . 0 0 "[ . 1 . 2]" 2
25 1 4 VAL H 1 48 LYS O . . 3.000 2.575 1.917 2.921 . 0 0 "[ . 1 . 2]" 2
26 1 4 VAL H 1 48 LYS C . . 4.000 3.129 2.788 3.319 . 0 0 "[ . 1 . 2]" 2
27 1 4 VAL N 1 48 LYS O . . 4.000 3.229 2.799 3.512 . 0 0 "[ . 1 . 2]" 2
28 1 4 VAL N 1 48 LYS C . . 5.000 3.961 3.666 4.122 . 0 0 "[ . 1 . 2]" 2
29 1 2 ARG O 1 48 LYS H . . 3.000 2.322 2.093 2.608 . 0 0 "[ . 1 . 2]" 2
30 1 2 ARG C 1 48 LYS H . . 4.000 2.936 2.827 3.231 . 0 0 "[ . 1 . 2]" 2
31 1 2 ARG O 1 48 LYS N . . 4.000 2.881 2.727 3.180 . 0 0 "[ . 1 . 2]" 2
32 1 2 ARG C 1 48 LYS N . . 5.000 3.729 3.622 4.015 . 0 0 "[ . 1 . 2]" 2
33 1 10 GLU O 1 14 GLU H . . 1.700 2.084 2.041 2.150 0.450 17 0 "[ . 1 . 2]" 2
34 1 10 GLU C 1 14 GLU H . . 2.600 3.258 3.178 3.319 0.719 17 20 [****************+-**] 2
35 1 10 GLU O 1 14 GLU N . . 2.600 3.040 2.997 3.100 0.500 17 1 "[ . 1 . + 2]" 2
36 1 10 GLU C 1 14 GLU N . . 3.600 4.222 4.139 4.280 0.680 17 20 [****************+-**] 2
37 1 11 GLN O 1 15 GLU H . . 1.700 2.305 2.271 2.353 0.653 7 20 [**-***+*************] 2
38 1 11 GLN C 1 15 GLU H . . 2.600 3.418 3.385 3.460 0.860 18 20 [***********-*****+**] 2
39 1 11 GLN O 1 15 GLU N . . 2.600 3.243 3.204 3.275 0.675 18 20 [***********-*****+**] 2
40 1 11 GLN C 1 15 GLU N . . 3.600 4.386 4.344 4.425 0.825 18 20 [***********-*****+**] 2
41 1 12 VAL O 1 16 VAL H . . 1.700 2.009 1.865 2.218 0.518 18 1 "[ . 1 . + 2]" 2
42 1 12 VAL C 1 16 VAL H . . 2.600 3.118 3.006 3.307 0.707 18 11 "[ ** . -**** * *+*2]" 2
43 1 12 VAL O 1 16 VAL N . . 2.600 2.895 2.779 3.072 0.472 18 0 "[ . 1 . 2]" 2
44 1 12 VAL C 1 16 VAL N . . 3.600 4.056 3.958 4.226 0.626 18 4 "[ . ** - + 2]" 2
45 1 13 LYS O 1 17 ARG H . . 1.700 1.793 1.782 1.825 0.125 2 0 "[ . 1 . 2]" 2
46 1 13 LYS C 1 17 ARG H . . 2.600 3.001 2.975 3.014 0.414 10 0 "[ . 1 . 2]" 2
47 1 13 LYS O 1 17 ARG N . . 2.600 2.765 2.730 2.775 0.175 11 0 "[ . 1 . 2]" 2
48 1 13 LYS C 1 17 ARG N . . 3.600 3.977 3.935 3.988 0.388 7 0 "[ . 1 . 2]" 2
49 1 14 GLU O 1 18 LYS H . . 1.700 2.217 2.123 2.262 0.562 7 19 "[******+**-******* **]" 2
50 1 14 GLU C 1 18 LYS H . . 2.600 3.223 3.164 3.280 0.680 9 20 [********+**-********] 2
51 1 14 GLU O 1 18 LYS N . . 2.600 3.045 2.996 3.072 0.472 7 0 "[ . 1 . 2]" 2
52 1 14 GLU C 1 18 LYS N . . 3.600 4.132 4.067 4.197 0.597 9 17 "[ ** ****+** *******-]" 2
53 1 15 GLU O 1 19 LYS H . . 1.700 2.245 2.219 2.282 0.582 18 20 [***********-*****+**] 2
54 1 15 GLU C 1 19 LYS H . . 2.600 3.232 3.184 3.268 0.668 2 20 [*+***************-**] 2
55 1 15 GLU O 1 19 LYS N . . 2.600 3.117 3.070 3.148 0.548 2 16 "[ +* ******* ***** *-]" 2
56 1 15 GLU C 1 19 LYS N . . 3.600 4.170 4.096 4.214 0.614 2 19 "[-+*************** **]" 2
57 1 30 THR O 1 34 ALA H . . 1.700 2.275 2.222 2.378 0.678 11 20 [**********+***-*****] 2
58 1 30 THR C 1 34 ALA H . . 2.600 3.381 3.319 3.442 0.842 16 20 [*****-*********+****] 2
59 1 30 THR O 1 34 ALA N . . 2.600 3.244 3.199 3.330 0.730 20 20 [**************-****+] 2
60 1 30 THR C 1 34 ALA N . . 3.600 4.354 4.297 4.415 0.815 4 20 [***+*-**************] 2
61 1 31 GLU O 1 35 LYS H . . 1.700 2.236 2.197 2.260 0.560 18 19 "[************ ****+*-]" 2
62 1 31 GLU C 1 35 LYS H . . 2.600 3.293 3.214 3.376 0.776 4 20 [***+*********-******] 2
63 1 31 GLU O 1 35 LYS N . . 2.600 3.157 3.112 3.192 0.592 18 20 [************-****+**] 2
64 1 31 GLU C 1 35 LYS N . . 3.600 4.258 4.177 4.344 0.744 4 20 [***+*********-******] 2
65 1 32 GLU O 1 36 GLN H . . 1.700 2.293 2.248 2.373 0.673 11 20 [****-*****+*********] 2
66 1 32 GLU C 1 36 GLN H . . 2.600 3.431 3.343 3.521 0.921 11 20 [****-*****+*********] 2
67 1 32 GLU O 1 36 GLN N . . 2.600 3.255 3.215 3.331 0.731 11 20 [****-*****+*********] 2
68 1 32 GLU C 1 36 GLN N . . 3.600 4.394 4.313 4.484 0.884 11 20 [****-*****+*********] 2
69 1 33 ASP O 1 37 VAL H . . 1.700 2.204 2.022 2.256 0.556 19 16 "[*** *-**** * *****+2]" 2
70 1 33 ASP C 1 37 VAL H . . 2.600 3.289 3.141 3.357 0.757 2 20 [*+*-****************] 2
71 1 33 ASP O 1 37 VAL N . . 2.600 3.066 2.884 3.137 0.537 2 7 "[*+ * * 1 .-* *2]" 2
72 1 33 ASP C 1 37 VAL N . . 3.600 4.214 4.061 4.304 0.704 17 18 "[*** *-**** *****+***]" 2
73 1 34 ALA O 1 38 VAL H . . 1.700 1.789 1.763 1.866 0.166 17 0 "[ . 1 . 2]" 2
74 1 34 ALA C 1 38 VAL H . . 2.600 3.004 2.959 3.058 0.458 16 0 "[ . 1 . 2]" 2
75 1 34 ALA O 1 38 VAL N . . 2.600 2.758 2.738 2.817 0.217 16 0 "[ . 1 . 2]" 2
76 1 34 ALA C 1 38 VAL N . . 3.600 3.974 3.936 4.024 0.424 16 0 "[ . 1 . 2]" 2
77 1 35 LYS O 1 39 LYS H . . 1.700 2.268 2.240 2.352 0.652 16 20 [**-************+****] 2
78 1 35 LYS C 1 39 LYS H . . 2.600 3.377 3.291 3.521 0.921 16 20 [*****-*********+****] 2
79 1 35 LYS O 1 39 LYS N . . 2.600 3.189 3.129 3.300 0.700 16 20 [***-***********+****] 2
80 1 35 LYS C 1 39 LYS N . . 3.600 4.335 4.243 4.484 0.884 16 20 [*****-*********+****] 2
81 1 36 GLN O 1 40 GLU H . . 1.700 2.201 1.986 2.250 0.550 5 14 "[** +*** 1 ***.**-**]" 2
82 1 36 GLN C 1 40 GLU H . . 2.600 3.190 3.012 3.256 0.656 13 19 [**-******1**+*******] 2
83 1 36 GLN O 1 40 GLU N . . 2.600 3.092 2.923 3.156 0.556 13 9 "[** * * 1 + .-* **]" 2
84 1 36 GLN C 1 40 GLU N . . 3.600 4.142 3.989 4.228 0.628 13 18 "[** *****-1**+*******]" 2
85 1 37 VAL O 1 41 VAL H . . 1.700 1.998 1.789 2.209 0.509 12 2 "[ . 1 + -. 2]" 2
86 1 37 VAL C 1 41 VAL H . . 2.600 3.210 3.006 3.412 0.812 14 16 "[*******-*1** +* ***]" 2
87 1 37 VAL O 1 41 VAL N . . 2.600 2.969 2.756 3.179 0.579 12 4 "[ .*- 1 + *. 2]" 2
88 1 37 VAL C 1 41 VAL N . . 3.600 4.182 3.977 4.377 0.777 14 15 "[******* *1** +* -**]" 2
89 1 38 VAL O 1 42 GLN H . . 1.700 2.018 1.800 2.173 0.473 17 0 "[ . 1 . 2]" 2
90 1 38 VAL C 1 42 GLN H . . 2.600 3.027 2.937 3.131 0.531 17 3 "[ . - 1 .*+ 2]" 2
91 1 38 VAL O 1 42 GLN N . . 2.600 2.867 2.745 2.991 0.391 17 0 "[ . 1 . 2]" 2
92 1 38 VAL C 1 42 GLN N . . 3.600 3.960 3.896 4.049 0.449 17 0 "[ . 1 . 2]" 2
93 1 39 LYS O 1 43 LYS H . . 1.700 2.252 2.215 2.325 0.625 17 20 [****-***********+***] 2
94 1 39 LYS C 1 43 LYS H . . 2.600 3.335 3.254 3.426 0.826 17 20 [*****-**********+***] 2
95 1 39 LYS O 1 43 LYS N . . 2.600 3.144 3.083 3.213 0.613 17 18 "[-***.***********+* *]" 2
96 1 39 LYS C 1 43 LYS N . . 3.600 4.260 4.188 4.343 0.743 17 20 [*****-**********+***] 2
97 1 40 GLU O 1 44 LYS H . . 1.700 2.369 2.268 2.466 0.766 13 20 [************+****-**] 2
98 1 40 GLU C 1 44 LYS H . . 2.600 3.392 3.296 3.476 0.876 10 20 [*********+*******-**] 2
99 1 40 GLU O 1 44 LYS N . . 2.600 3.256 3.159 3.341 0.741 13 20 [************+****-**] 2
100 1 40 GLU C 1 44 LYS N . . 3.600 4.342 4.250 4.426 0.826 10 20 [*********+*******-**] 2
101 1 55 SER O 1 59 VAL H . . 1.700 2.297 2.262 2.343 0.643 15 20 [**************+*-***] 2
102 1 55 SER C 1 59 VAL H . . 2.600 3.436 3.398 3.500 0.900 15 20 [****-*********+*****] 2
103 1 55 SER O 1 59 VAL N . . 2.600 3.276 3.241 3.317 0.717 15 20 [**************+*-***] 2
104 1 55 SER C 1 59 VAL N . . 3.600 4.402 4.361 4.458 0.858 15 20 [****-*********+*****] 2
105 1 56 GLU O 1 60 GLN H . . 1.700 1.780 1.763 1.851 0.151 17 0 "[ . 1 . 2]" 2
106 1 56 GLU C 1 60 GLN H . . 2.600 2.910 2.901 2.944 0.344 17 0 "[ . 1 . 2]" 2
107 1 56 GLU O 1 60 GLN N . . 2.600 2.681 2.674 2.728 0.128 17 0 "[ . 1 . 2]" 2
108 1 56 GLU C 1 60 GLN N . . 3.600 3.859 3.842 3.883 0.283 17 0 "[ . 1 . 2]" 2
109 1 57 LYS O 1 61 LYS H . . 1.700 2.379 2.107 2.421 0.721 17 19 [****.******-****+***] 2
110 1 57 LYS C 1 61 LYS H . . 2.600 3.300 3.190 3.354 0.754 8 20 [****-**+************] 2
111 1 57 LYS O 1 61 LYS N . . 2.600 3.315 2.987 3.367 0.767 17 19 [****.*****-*****+***] 2
112 1 57 LYS C 1 61 LYS N . . 3.600 4.268 4.117 4.322 0.722 8 20 [****-**+************] 2
113 1 58 VAL O 1 62 VAL H . . 1.700 2.357 2.342 2.376 0.676 17 20 [****************+-**] 2
114 1 58 VAL C 1 62 VAL H . . 2.600 3.560 3.542 3.579 0.979 13 20 [************+****-**] 2
115 1 58 VAL O 1 62 VAL N . . 2.600 3.308 3.293 3.330 0.730 17 20 [****************+-**] 2
116 1 58 VAL C 1 62 VAL N . . 3.600 4.486 4.468 4.506 0.906 17 20 [****************+-**] 2
117 1 59 VAL O 1 63 LYS H . . 1.700 1.822 1.790 2.042 0.342 5 0 "[ . 1 . 2]" 2
118 1 59 VAL C 1 63 LYS H . . 2.600 2.938 2.911 3.147 0.547 5 1 "[ + 1 . 2]" 2
119 1 59 VAL O 1 63 LYS N . . 2.600 2.733 2.703 2.968 0.368 5 0 "[ . 1 . 2]" 2
120 1 59 VAL C 1 63 LYS N . . 3.600 3.897 3.868 4.114 0.514 5 1 "[ + 1 . 2]" 2
121 1 60 GLN O 1 64 GLN H . . 1.700 2.121 2.058 2.218 0.518 5 1 "[ + 1 . 2]" 2
122 1 60 GLN C 1 64 GLN H . . 2.600 3.207 3.120 3.283 0.683 5 20 [****+**-************] 2
123 1 60 GLN O 1 64 GLN N . . 2.600 3.008 2.933 3.117 0.517 5 1 "[ + 1 . 2]" 2
124 1 60 GLN C 1 64 GLN N . . 3.600 4.140 4.046 4.223 0.623 5 16 "[* **+*- **** *** ***]" 2
125 1 61 LYS O 1 65 GLU H . . 1.700 2.301 2.265 2.361 0.661 13 20 [************+***-***] 2
126 1 61 LYS C 1 65 GLU H . . 2.600 3.440 3.410 3.496 0.896 13 20 [************+****-**] 2
127 1 61 LYS O 1 65 GLU N . . 2.600 3.232 3.193 3.274 0.674 5 20 [****+***********-***] 2
128 1 61 LYS C 1 65 GLU N . . 3.600 4.401 4.370 4.444 0.844 13 20 [************+***-***] 2
129 1 62 VAL O 1 66 ALA H . . 1.700 2.232 2.205 2.249 0.549 5 20 [****+**-************] 2
130 1 62 VAL C 1 66 ALA H . . 2.600 3.295 3.267 3.310 0.710 12 20 [*******-***+********] 2
131 1 62 VAL O 1 66 ALA N . . 2.600 2.696 2.668 2.715 0.115 17 0 "[ . 1 . 2]" 2
132 1 62 VAL C 1 66 ALA N . . 3.600 3.887 3.848 3.907 0.307 17 0 "[ . 1 . 2]" 2
133 1 76 ASN O 1 80 GLU H . . 1.700 2.263 2.223 2.298 0.598 5 20 [****+**************-] 2
134 1 76 ASN C 1 80 GLU H . . 2.600 3.445 3.283 3.480 0.880 5 20 [****+********-******] 2
135 1 76 ASN O 1 80 GLU N . . 2.600 3.226 3.185 3.268 0.668 5 20 [****+********-******] 2
136 1 76 ASN C 1 80 GLU N . . 3.600 4.409 4.259 4.445 0.845 5 20 [****+********-******] 2
137 1 77 ASP O 1 81 GLN H . . 1.700 2.273 2.245 2.300 0.600 1 20 [+****************-**] 2
138 1 77 ASP C 1 81 GLN H . . 2.600 3.169 3.112 3.221 0.621 6 20 [*****+*******-******] 2
139 1 77 ASP O 1 81 GLN N . . 2.600 3.080 3.057 3.107 0.507 6 2 "[ .+ 1 - . 2]" 2
140 1 77 ASP C 1 81 GLN N . . 3.600 4.085 4.009 4.146 0.546 6 6 "[ .+*-*1 * . * 2]" 2
141 1 78 GLU O 1 82 VAL H . . 1.700 2.077 1.891 2.204 0.504 3 1 "[ + . 1 . 2]" 2
142 1 78 GLU C 1 82 VAL H . . 2.600 3.090 2.886 3.219 0.619 3 11 "[ -+ .** ** *.** **]" 2
143 1 78 GLU O 1 82 VAL N . . 2.600 3.035 2.825 3.171 0.571 3 4 "[ + .* * .- 2]" 2
144 1 78 GLU C 1 82 VAL N . . 3.600 4.069 3.863 4.196 0.596 3 7 "[ + .*- ** *.* 2]" 2
145 1 79 VAL O 1 83 VAL H . . 1.700 2.194 2.082 2.253 0.553 17 12 "[*** .***** **- + 2]" 2
146 1 79 VAL C 1 83 VAL H . . 2.600 3.276 3.141 3.378 0.778 17 20 [****-***********+***] 2
147 1 79 VAL O 1 83 VAL N . . 2.600 3.140 3.014 3.226 0.626 17 16 "[****.**-** **** +* *]" 2
148 1 79 VAL C 1 83 VAL N . . 3.600 4.249 4.110 4.356 0.756 17 20 [****-***********+***] 2
149 1 80 GLU O 1 84 LYS H . . 1.700 1.908 1.798 2.133 0.433 5 0 "[ . 1 . 2]" 2
150 1 80 GLU C 1 84 LYS H . . 2.600 2.881 2.816 2.986 0.386 5 0 "[ . 1 . 2]" 2
151 1 80 GLU O 1 84 LYS N . . 2.600 2.782 2.705 2.990 0.390 5 0 "[ . 1 . 2]" 2
152 1 80 GLU C 1 84 LYS N . . 3.600 3.837 3.785 3.942 0.342 5 0 "[ . 1 . 2]" 2
153 1 81 GLN O 1 85 ASP H . . 1.700 2.301 2.273 2.339 0.639 16 20 [************-**+****] 2
154 1 81 GLN C 1 85 ASP H . . 2.600 3.484 3.462 3.517 0.917 1 20 [+****************-**] 2
155 1 81 GLN O 1 85 ASP N . . 2.600 3.261 3.221 3.317 0.717 16 20 [************-**+****] 2
156 1 81 GLN C 1 85 ASP N . . 3.600 4.424 4.402 4.460 0.860 16 20 [************-**+****] 2
157 1 82 VAL O 1 86 VAL H . . 1.700 2.174 1.984 2.367 0.667 2 11 "[ +* *****1 * .* -*]" 2
158 1 82 VAL C 1 86 VAL H . . 2.600 3.121 2.997 3.295 0.695 12 13 "[****** *1 + *.** -*]" 2
159 1 82 VAL O 1 86 VAL N . . 2.600 2.849 2.648 3.008 0.408 16 0 "[ . 1 . 2]" 2
160 1 82 VAL C 1 86 VAL N . . 3.600 3.935 3.776 4.110 0.510 20 1 "[ . 1 . +]" 2
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