NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384352 |
1kio   |
5273 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kio
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 348
_Distance_constraint_stats_list.Viol_count 179
_Distance_constraint_stats_list.Viol_total 84.941
_Distance_constraint_stats_list.Viol_max 0.285
_Distance_constraint_stats_list.Viol_rms 0.0148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0475
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.069 0.069 3 0 "[ . 1]"
1 2 VAL 0.259 0.095 6 0 "[ . 1]"
1 3 THR 0.131 0.058 3 0 "[ . 1]"
1 4 CYS 0.302 0.096 1 0 "[ . 1]"
1 5 GLU 0.348 0.096 1 0 "[ . 1]"
1 6 PRO 0.049 0.023 9 0 "[ . 1]"
1 7 GLY 0.153 0.059 8 0 "[ . 1]"
1 8 THR 0.287 0.060 8 0 "[ . 1]"
1 9 THR 0.169 0.055 10 0 "[ . 1]"
1 10 PHE 0.790 0.112 4 0 "[ . 1]"
1 11 LYS 0.112 0.112 4 0 "[ . 1]"
1 12 ASP 0.911 0.200 4 0 "[ . 1]"
1 13 LYS 1.399 0.275 9 0 "[ . 1]"
1 14 CYS 0.999 0.146 4 0 "[ . 1]"
1 15 ASN 1.006 0.123 7 0 "[ . 1]"
1 16 THR 0.261 0.097 7 0 "[ . 1]"
1 17 CYS 0.122 0.054 2 0 "[ . 1]"
1 18 ARG 1.309 0.260 9 0 "[ . 1]"
1 19 CYS 1.792 0.260 9 0 "[ . 1]"
1 20 GLY 0.012 0.010 9 0 "[ . 1]"
1 21 SER 0.000 0.000 . 0 "[ . 1]"
1 22 ASP 0.010 0.010 9 0 "[ . 1]"
1 23 GLY 0.049 0.023 9 0 "[ . 1]"
1 24 LYS 0.163 0.055 3 0 "[ . 1]"
1 25 SER 0.096 0.040 2 0 "[ . 1]"
1 26 ALA 0.190 0.054 9 0 "[ . 1]"
1 27 ALA 0.627 0.068 1 0 "[ . 1]"
1 28 CYS 0.485 0.097 7 0 "[ . 1]"
1 29 THR 0.471 0.073 7 0 "[ . 1]"
1 30 ARG 0.834 0.123 7 0 "[ . 1]"
1 31 MET 0.330 0.076 4 0 "[ . 1]"
1 32 ALA 0.853 0.146 4 0 "[ . 1]"
1 33 CYS 1.386 0.285 4 0 "[ . 1]"
1 34 PRO 0.563 0.285 4 0 "[ . 1]"
1 35 GLN 0.175 0.055 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 VAL H 1.800 . 3.500 2.752 2.347 3.569 0.069 3 0 "[ . 1]" 1
2 1 2 VAL H 1 2 VAL MG1 1.800 . 5.000 3.101 1.797 3.819 0.003 3 0 "[ . 1]" 1
3 1 2 VAL H 1 2 VAL MG2 1.800 . 5.000 3.354 2.842 3.903 . 0 0 "[ . 1]" 1
4 1 2 VAL H 1 24 LYS HA 1.800 . 5.000 3.082 1.826 4.906 . 0 0 "[ . 1]" 1
5 1 2 VAL HA 1 2 VAL MG1 1.800 . 5.000 2.783 2.486 3.195 . 0 0 "[ . 1]" 1
6 1 2 VAL HA 1 2 VAL MG2 1.800 . 5.000 2.192 2.005 2.485 . 0 0 "[ . 1]" 1
7 1 2 VAL HA 1 3 THR H 1.800 . 3.500 2.533 2.200 3.558 0.058 3 0 "[ . 1]" 1
8 1 2 VAL HB 1 3 THR H 1.800 . 5.000 4.393 3.770 4.679 . 0 0 "[ . 1]" 1
9 1 2 VAL HB 1 25 SER HA 1.800 . 5.000 3.593 2.938 4.618 . 0 0 "[ . 1]" 1
10 1 2 VAL MG1 1 3 THR H 1.800 . 5.000 2.875 1.767 4.002 0.033 3 0 "[ . 1]" 1
11 1 2 VAL MG1 1 4 CYS H 1.800 . 5.000 2.289 1.902 4.088 . 0 0 "[ . 1]" 1
12 1 2 VAL MG1 1 10 PHE QE 1.800 . 7.150 4.037 3.357 4.878 . 0 0 "[ . 1]" 1
13 1 2 VAL MG1 1 10 PHE HZ 1.800 . 5.000 3.484 2.797 4.221 . 0 0 "[ . 1]" 1
14 1 2 VAL MG1 1 24 LYS HA 1.800 . 5.000 2.362 1.868 3.098 . 0 0 "[ . 1]" 1
15 1 2 VAL MG1 1 25 SER H 1.800 . 5.000 2.499 2.147 2.804 . 0 0 "[ . 1]" 1
16 1 2 VAL MG1 1 25 SER HA 1.800 . 5.000 3.716 2.229 4.011 . 0 0 "[ . 1]" 1
17 1 2 VAL MG1 1 26 ALA H 1.800 . 5.000 3.737 2.927 4.015 . 0 0 "[ . 1]" 1
18 1 2 VAL MG1 1 26 ALA MB 1.800 . 5.000 2.710 2.074 3.209 . 0 0 "[ . 1]" 1
19 1 2 VAL MG2 1 3 THR H 1.800 . 5.000 3.693 2.782 4.125 . 0 0 "[ . 1]" 1
20 1 2 VAL MG2 1 4 CYS H 1.800 . 5.000 3.909 2.699 4.184 . 0 0 "[ . 1]" 1
21 1 2 VAL MG2 1 10 PHE QE 1.800 . 7.150 4.091 2.841 4.766 . 0 0 "[ . 1]" 1
22 1 2 VAL MG2 1 10 PHE HZ 1.800 . 5.000 3.242 1.705 4.023 0.095 6 0 "[ . 1]" 1
23 1 2 VAL MG2 1 24 LYS HA 1.800 . 5.000 3.944 3.561 4.206 . 0 0 "[ . 1]" 1
24 1 2 VAL MG2 1 25 SER H 1.800 . 5.000 3.800 3.202 4.124 . 0 0 "[ . 1]" 1
25 1 2 VAL MG2 1 25 SER HA 1.800 . 5.000 3.404 2.517 4.072 . 0 0 "[ . 1]" 1
26 1 2 VAL MG2 1 26 ALA H 1.800 . 5.000 2.936 2.123 4.034 . 0 0 "[ . 1]" 1
27 1 2 VAL MG2 1 26 ALA MB 1.800 . 5.000 2.399 1.973 3.028 . 0 0 "[ . 1]" 1
28 1 3 THR H 1 3 THR MG 1.800 . 5.000 2.526 1.910 3.918 . 0 0 "[ . 1]" 1
29 1 3 THR H 1 4 CYS H 1.800 . 5.000 2.355 1.761 2.770 0.039 3 0 "[ . 1]" 1
30 1 3 THR H 1 4 CYS HA 1.800 . 5.000 4.647 4.292 4.989 . 0 0 "[ . 1]" 1
31 1 3 THR H 1 4 CYS HB3 1.800 . 5.000 4.091 3.459 4.491 . 0 0 "[ . 1]" 1
32 1 3 THR HA 1 3 THR MG 1.800 . 5.000 2.830 2.340 3.196 . 0 0 "[ . 1]" 1
33 1 3 THR HA 1 4 CYS H 1.800 . 5.000 3.177 2.897 3.468 . 0 0 "[ . 1]" 1
34 1 3 THR HB 1 4 CYS H 1.800 . 5.000 4.253 3.185 4.611 . 0 0 "[ . 1]" 1
35 1 3 THR MG 1 4 CYS H 1.800 . 5.000 3.452 2.412 4.148 . 0 0 "[ . 1]" 1
36 1 4 CYS H 1 24 LYS HA 1.800 . 5.000 4.815 4.452 5.055 0.055 3 0 "[ . 1]" 1
37 1 4 CYS HA 1 5 GLU H 1.800 . 3.500 2.541 2.440 2.730 . 0 0 "[ . 1]" 1
38 1 4 CYS HA 1 5 GLU HB2 1.800 . 5.000 4.542 4.144 4.965 . 0 0 "[ . 1]" 1
39 1 4 CYS HB2 1 5 GLU H 1.800 . 3.500 3.104 2.278 3.596 0.096 1 0 "[ . 1]" 1
40 1 4 CYS HB2 1 10 PHE QD 1.800 . 7.150 3.953 3.380 4.784 . 0 0 "[ . 1]" 1
41 1 4 CYS HB2 1 10 PHE QE 1.800 . 7.150 3.326 1.879 4.109 . 0 0 "[ . 1]" 1
42 1 4 CYS HB2 1 10 PHE HZ 1.800 . 5.000 3.703 2.708 4.974 . 0 0 "[ . 1]" 1
43 1 4 CYS HB3 1 5 GLU H 1.800 . 5.000 3.893 3.686 4.013 . 0 0 "[ . 1]" 1
44 1 4 CYS HB3 1 10 PHE QD 1.800 . 7.150 4.451 3.451 5.568 . 0 0 "[ . 1]" 1
45 1 4 CYS HB3 1 10 PHE QE 1.800 . 7.150 3.149 2.499 3.817 . 0 0 "[ . 1]" 1
46 1 4 CYS HB3 1 10 PHE HZ 1.800 . 5.000 2.901 2.566 3.600 . 0 0 "[ . 1]" 1
47 1 5 GLU H 1 19 CYS HB2 1.800 . 5.000 4.768 3.985 5.088 0.088 10 0 "[ . 1]" 1
48 1 5 GLU H 1 19 CYS HB3 1.800 . 5.000 4.815 4.329 5.020 0.020 6 0 "[ . 1]" 1
49 1 5 GLU HA 1 6 PRO HB3 1.800 . 5.000 4.874 4.841 4.937 . 0 0 "[ . 1]" 1
50 1 5 GLU HA 1 6 PRO HD2 1.800 . 3.500 2.228 2.021 2.394 . 0 0 "[ . 1]" 1
51 1 5 GLU HA 1 6 PRO HD3 1.800 . 3.500 2.275 2.178 2.344 . 0 0 "[ . 1]" 1
52 1 5 GLU HA 1 6 PRO HG2 1.800 . 5.000 4.376 4.217 4.502 . 0 0 "[ . 1]" 1
53 1 5 GLU HA 1 6 PRO HG3 1.800 . 5.000 4.386 4.330 4.439 . 0 0 "[ . 1]" 1
54 1 6 PRO HA 1 6 PRO HD3 1.800 . 5.000 3.590 3.522 3.644 . 0 0 "[ . 1]" 1
55 1 6 PRO HA 1 7 GLY H 1.800 . 3.500 2.234 2.204 2.310 . 0 0 "[ . 1]" 1
56 1 6 PRO HA 1 8 THR H 1.800 . 5.000 4.137 3.526 4.999 . 0 0 "[ . 1]" 1
57 1 6 PRO HA 1 19 CYS HB2 1.800 . 5.000 4.022 3.441 4.518 . 0 0 "[ . 1]" 1
58 1 6 PRO HA 1 19 CYS HB3 1.800 . 5.000 2.330 1.863 2.819 . 0 0 "[ . 1]" 1
59 1 6 PRO HB2 1 7 GLY H 1.800 . 5.000 3.732 3.116 3.993 . 0 0 "[ . 1]" 1
60 1 6 PRO HB2 1 21 SER HA 1.800 . 5.000 1.964 1.835 2.460 . 0 0 "[ . 1]" 1
61 1 6 PRO HB2 1 23 GLY H 1.800 . 5.000 3.798 3.363 4.221 . 0 0 "[ . 1]" 1
62 1 6 PRO HB3 1 7 GLY H 1.800 . 5.000 4.172 3.775 4.381 . 0 0 "[ . 1]" 1
63 1 6 PRO HB3 1 21 SER HA 1.800 . 5.000 2.671 2.121 3.238 . 0 0 "[ . 1]" 1
64 1 6 PRO HB3 1 23 GLY H 1.800 . 5.000 2.205 1.969 2.585 . 0 0 "[ . 1]" 1
65 1 6 PRO QG 1 23 GLY QA 1.800 . 5.000 2.879 2.243 3.572 . 0 0 "[ . 1]" 1
66 1 6 PRO HG2 1 21 SER HA 1.800 . 5.000 4.162 3.922 4.715 . 0 0 "[ . 1]" 1
67 1 6 PRO HG2 1 23 GLY H 1.800 . 5.000 4.861 4.178 5.023 0.023 9 0 "[ . 1]" 1
68 1 6 PRO HG3 1 21 SER HA 1.800 . 5.000 4.187 3.713 4.649 . 0 0 "[ . 1]" 1
69 1 6 PRO HG3 1 23 GLY H 1.800 . 5.000 3.591 2.822 4.113 . 0 0 "[ . 1]" 1
70 1 7 GLY H 1 8 THR H 1.800 . 5.000 2.291 1.843 3.010 . 0 0 "[ . 1]" 1
71 1 7 GLY H 1 19 CYS H 1.800 . 5.000 4.770 4.141 5.059 0.059 8 0 "[ . 1]" 1
72 1 7 GLY H 1 19 CYS HB2 1.800 . 5.000 3.613 2.760 4.206 . 0 0 "[ . 1]" 1
73 1 7 GLY H 1 19 CYS HB3 1.800 . 5.000 2.232 1.833 2.747 . 0 0 "[ . 1]" 1
74 1 7 GLY H 1 21 SER HA 1.800 . 5.000 4.101 3.543 4.746 . 0 0 "[ . 1]" 1
75 1 7 GLY HA2 1 8 THR H 1.800 . 5.000 2.835 2.392 3.491 . 0 0 "[ . 1]" 1
76 1 7 GLY HA3 1 8 THR H 1.800 . 5.000 3.519 3.177 3.597 . 0 0 "[ . 1]" 1
77 1 8 THR H 1 8 THR MG 1.800 . 5.000 3.798 2.273 4.018 . 0 0 "[ . 1]" 1
78 1 8 THR H 1 9 THR H 1.800 . 5.000 3.373 1.745 4.450 0.055 10 0 "[ . 1]" 1
79 1 8 THR H 1 18 ARG HA 1.800 . 5.000 4.523 3.704 5.058 0.058 9 0 "[ . 1]" 1
80 1 8 THR H 1 19 CYS H 1.800 . 5.000 4.128 3.254 5.060 0.060 8 0 "[ . 1]" 1
81 1 8 THR H 1 19 CYS HB2 1.800 . 5.000 3.044 2.457 3.932 . 0 0 "[ . 1]" 1
82 1 8 THR H 1 19 CYS HB3 1.800 . 5.000 2.770 2.419 3.232 . 0 0 "[ . 1]" 1
83 1 8 THR HA 1 8 THR MG 1.800 . 5.000 2.280 1.920 3.167 . 0 0 "[ . 1]" 1
84 1 8 THR HA 1 9 THR HB 1.800 . 5.000 4.380 3.959 4.936 . 0 0 "[ . 1]" 1
85 1 8 THR HA 1 9 THR MG 1.800 . 5.000 3.658 3.189 4.150 . 0 0 "[ . 1]" 1
86 1 8 THR HB 1 9 THR H 1.800 . 3.500 3.129 2.672 3.530 0.030 4 0 "[ . 1]" 1
87 1 8 THR HB 1 10 PHE QD 1.800 . 7.150 3.995 3.320 5.311 . 0 0 "[ . 1]" 1
88 1 8 THR MG 1 9 THR H 1.800 . 5.000 2.887 1.811 4.122 . 0 0 "[ . 1]" 1
89 1 8 THR MG 1 10 PHE QD 1.800 . 7.150 3.938 3.126 4.618 . 0 0 "[ . 1]" 1
90 1 9 THR H 1 9 THR HB 1.800 . 3.500 3.036 2.860 3.287 . 0 0 "[ . 1]" 1
91 1 9 THR H 1 9 THR MG 1.800 . 5.000 2.632 1.898 3.801 . 0 0 "[ . 1]" 1
92 1 9 THR H 1 18 ARG HA 1.800 . 5.000 3.857 2.455 4.617 . 0 0 "[ . 1]" 1
93 1 9 THR H 1 19 CYS H 1.800 . 5.000 4.351 2.364 4.945 . 0 0 "[ . 1]" 1
94 1 9 THR HA 1 9 THR MG 1.800 . 5.000 3.175 3.115 3.225 . 0 0 "[ . 1]" 1
95 1 9 THR HA 1 10 PHE H 1.800 . 3.500 2.362 2.153 2.491 . 0 0 "[ . 1]" 1
96 1 9 THR HA 1 10 PHE QB 1.800 . 5.000 4.218 4.049 4.384 . 0 0 "[ . 1]" 1
97 1 9 THR HA 1 10 PHE QD 1.800 . 7.150 2.704 2.306 3.319 . 0 0 "[ . 1]" 1
98 1 9 THR HA 1 10 PHE QE 1.800 . 7.150 3.868 3.505 4.143 . 0 0 "[ . 1]" 1
99 1 9 THR HA 1 17 CYS H 1.800 . 5.000 4.167 3.370 4.983 . 0 0 "[ . 1]" 1
100 1 9 THR HA 1 18 ARG HA 1.800 . 5.000 1.902 1.812 2.033 . 0 0 "[ . 1]" 1
101 1 9 THR HA 1 18 ARG HB2 1.800 . 5.000 4.155 3.911 4.612 . 0 0 "[ . 1]" 1
102 1 9 THR HA 1 18 ARG HB3 1.800 . 5.000 4.844 4.600 5.041 0.041 6 0 "[ . 1]" 1
103 1 9 THR HA 1 19 CYS H 1.800 . 5.000 2.945 2.098 4.143 . 0 0 "[ . 1]" 1
104 1 9 THR HB 1 10 PHE H 1.800 . 5.000 4.118 3.786 4.583 . 0 0 "[ . 1]" 1
105 1 9 THR MG 1 10 PHE H 1.800 . 5.000 3.570 3.013 4.104 . 0 0 "[ . 1]" 1
106 1 9 THR MG 1 10 PHE HA 1.800 . 5.000 3.608 3.105 3.905 . 0 0 "[ . 1]" 1
107 1 9 THR MG 1 18 ARG HA 1.800 . 5.000 4.028 3.609 4.270 . 0 0 "[ . 1]" 1
108 1 9 THR MG 1 18 ARG QD 1.800 . 5.000 3.433 3.208 3.740 . 0 0 "[ . 1]" 1
109 1 10 PHE H 1 10 PHE QD 1.800 . 7.150 2.632 2.051 3.387 . 0 0 "[ . 1]" 1
110 1 10 PHE H 1 10 PHE QE 1.800 . 7.150 4.069 3.589 4.425 . 0 0 "[ . 1]" 1
111 1 10 PHE H 1 11 LYS H 1.800 . 5.000 4.353 4.261 4.460 . 0 0 "[ . 1]" 1
112 1 10 PHE H 1 11 LYS HA 1.800 . 5.000 4.696 4.589 4.876 . 0 0 "[ . 1]" 1
113 1 10 PHE H 1 16 THR HA 1.800 . 5.000 3.987 3.506 4.491 . 0 0 "[ . 1]" 1
114 1 10 PHE H 1 16 THR HB 1.800 . 5.000 4.963 4.523 5.037 0.037 4 0 "[ . 1]" 1
115 1 10 PHE H 1 17 CYS H 1.800 . 3.500 2.554 1.988 3.060 . 0 0 "[ . 1]" 1
116 1 10 PHE H 1 17 CYS HB2 1.800 . 5.000 4.144 3.737 4.668 . 0 0 "[ . 1]" 1
117 1 10 PHE H 1 17 CYS HB3 1.800 . 5.000 4.455 3.637 5.007 0.007 7 0 "[ . 1]" 1
118 1 10 PHE H 1 18 ARG HA 1.800 . 5.000 3.691 3.507 3.893 . 0 0 "[ . 1]" 1
119 1 10 PHE H 1 19 CYS H 1.800 . 5.000 4.484 3.961 5.067 0.067 10 0 "[ . 1]" 1
120 1 10 PHE HA 1 10 PHE QD 1.800 . 7.150 3.668 3.624 3.700 . 0 0 "[ . 1]" 1
121 1 10 PHE HA 1 11 LYS H 1.800 . 3.500 2.364 2.232 2.470 . 0 0 "[ . 1]" 1
122 1 10 PHE HA 1 11 LYS HB2 1.800 . 5.000 4.411 4.198 4.670 . 0 0 "[ . 1]" 1
123 1 10 PHE HA 1 11 LYS HB3 1.800 . 5.000 4.705 4.451 5.112 0.112 4 0 "[ . 1]" 1
124 1 10 PHE QB 1 11 LYS H 1.800 . 3.500 2.728 2.446 3.048 . 0 0 "[ . 1]" 1
125 1 10 PHE QD 1 11 LYS H 1.800 . 7.150 3.729 3.257 4.231 . 0 0 "[ . 1]" 1
126 1 10 PHE QD 1 12 ASP HB2 1.800 . 7.150 2.716 1.852 4.501 . 0 0 "[ . 1]" 1
127 1 10 PHE QD 1 12 ASP HB3 1.800 . 7.150 4.123 3.544 5.395 . 0 0 "[ . 1]" 1
128 1 10 PHE QD 1 17 CYS HB2 1.800 . 7.150 3.973 3.516 4.501 . 0 0 "[ . 1]" 1
129 1 10 PHE QD 1 17 CYS HB3 1.800 . 7.150 4.211 3.548 4.885 . 0 0 "[ . 1]" 1
130 1 10 PHE QD 1 18 ARG HA 1.800 . 7.150 4.191 3.573 5.054 . 0 0 "[ . 1]" 1
131 1 10 PHE QD 1 19 CYS H 1.800 . 7.150 3.649 2.819 4.717 . 0 0 "[ . 1]" 1
132 1 10 PHE QD 1 19 CYS HB2 1.800 . 7.150 3.283 2.611 3.721 . 0 0 "[ . 1]" 1
133 1 10 PHE QD 1 19 CYS HB3 1.800 . 7.150 4.914 4.260 5.395 . 0 0 "[ . 1]" 1
134 1 10 PHE QD 1 26 ALA MB 1.800 . 7.150 4.991 4.456 5.443 . 0 0 "[ . 1]" 1
135 1 10 PHE QE 1 11 LYS H 1.800 . 7.150 5.759 5.384 6.221 . 0 0 "[ . 1]" 1
136 1 10 PHE QE 1 12 ASP HB2 1.800 . 7.150 2.299 1.941 3.116 . 0 0 "[ . 1]" 1
137 1 10 PHE QE 1 12 ASP HB3 1.800 . 7.150 3.229 2.644 4.313 . 0 0 "[ . 1]" 1
138 1 10 PHE QE 1 17 CYS HB2 1.800 . 7.150 3.217 2.538 4.017 . 0 0 "[ . 1]" 1
139 1 10 PHE QE 1 17 CYS HB3 1.800 . 7.150 2.887 2.316 3.658 . 0 0 "[ . 1]" 1
140 1 10 PHE QE 1 18 ARG HA 1.800 . 7.150 4.440 3.872 5.043 . 0 0 "[ . 1]" 1
141 1 10 PHE QE 1 19 CYS H 1.800 . 7.150 2.754 2.072 3.466 . 0 0 "[ . 1]" 1
142 1 10 PHE QE 1 19 CYS HB2 1.800 . 7.150 2.530 1.900 3.084 . 0 0 "[ . 1]" 1
143 1 10 PHE QE 1 19 CYS HB3 1.800 . 7.150 3.968 3.587 4.488 . 0 0 "[ . 1]" 1
144 1 10 PHE QE 1 20 GLY H 1.800 . 7.150 5.162 4.722 5.777 . 0 0 "[ . 1]" 1
145 1 10 PHE QE 1 26 ALA MB 1.800 . 7.150 3.356 2.642 4.039 . 0 0 "[ . 1]" 1
146 1 10 PHE HZ 1 12 ASP HB2 1.800 . 5.000 4.190 3.433 4.792 . 0 0 "[ . 1]" 1
147 1 10 PHE HZ 1 12 ASP HB3 1.800 . 5.000 4.886 4.535 5.083 0.083 4 0 "[ . 1]" 1
148 1 10 PHE HZ 1 17 CYS HB2 1.800 . 5.000 3.574 2.614 4.422 . 0 0 "[ . 1]" 1
149 1 10 PHE HZ 1 17 CYS HB3 1.800 . 5.000 2.933 2.138 3.436 . 0 0 "[ . 1]" 1
150 1 10 PHE HZ 1 19 CYS H 1.800 . 5.000 4.760 4.195 5.023 0.023 3 0 "[ . 1]" 1
151 1 10 PHE HZ 1 19 CYS HB2 1.800 . 5.000 4.754 4.042 5.094 0.094 9 0 "[ . 1]" 1
152 1 10 PHE HZ 1 26 ALA MB 1.800 . 5.000 3.426 2.382 4.158 . 0 0 "[ . 1]" 1
153 1 11 LYS H 1 11 LYS HG2 1.800 . 5.000 4.394 4.173 4.565 . 0 0 "[ . 1]" 1
154 1 11 LYS H 1 11 LYS HG3 1.800 . 5.000 4.506 4.286 4.684 . 0 0 "[ . 1]" 1
155 1 11 LYS H 1 12 ASP H 1.800 . 5.000 4.281 3.975 4.604 . 0 0 "[ . 1]" 1
156 1 11 LYS H 1 16 THR MG 1.800 . 5.000 3.888 3.658 3.993 . 0 0 "[ . 1]" 1
157 1 11 LYS HA 1 11 LYS QD 1.800 . 5.000 3.795 2.797 4.295 . 0 0 "[ . 1]" 1
158 1 11 LYS HA 1 16 THR MG 1.800 . 5.000 3.290 2.640 3.669 . 0 0 "[ . 1]" 1
159 1 11 LYS HA 1 17 CYS H 1.800 . 5.000 3.790 3.283 4.285 . 0 0 "[ . 1]" 1
160 1 11 LYS HB2 1 12 ASP H 1.800 . 5.000 4.409 3.531 4.676 . 0 0 "[ . 1]" 1
161 1 11 LYS HB3 1 12 ASP H 1.800 . 5.000 4.197 2.329 4.524 . 0 0 "[ . 1]" 1
162 1 12 ASP H 1 13 LYS H 1.800 . 5.000 3.608 1.758 4.566 0.042 4 0 "[ . 1]" 1
163 1 12 ASP H 1 13 LYS HB2 1.800 . 5.000 4.726 4.528 4.937 . 0 0 "[ . 1]" 1
164 1 12 ASP H 1 13 LYS HG2 1.800 . 5.000 4.944 4.462 5.044 0.044 1 0 "[ . 1]" 1
165 1 12 ASP H 1 13 LYS HG3 1.800 . 5.000 4.969 4.815 5.200 0.200 4 0 "[ . 1]" 1
166 1 12 ASP HA 1 13 LYS H 1.800 . 3.500 2.859 2.189 3.572 0.072 9 0 "[ . 1]" 1
167 1 12 ASP HB2 1 13 LYS H 1.800 . 5.000 4.005 3.447 4.474 . 0 0 "[ . 1]" 1
168 1 12 ASP HB3 1 13 LYS H 1.800 . 5.000 2.989 1.948 4.175 . 0 0 "[ . 1]" 1
169 1 12 ASP HB3 1 15 ASN H 1.800 . 5.000 4.856 4.013 5.053 0.053 2 0 "[ . 1]" 1
170 1 13 LYS H 1 13 LYS HG2 1.800 . 3.500 2.558 2.087 3.711 0.211 4 0 "[ . 1]" 1
171 1 13 LYS H 1 13 LYS HG3 1.800 . 5.000 3.522 2.281 4.420 . 0 0 "[ . 1]" 1
172 1 13 LYS H 1 14 CYS H 1.800 . 5.000 3.799 2.694 4.648 . 0 0 "[ . 1]" 1
173 1 13 LYS HA 1 14 CYS H 1.800 . 5.000 3.485 3.136 3.595 . 0 0 "[ . 1]" 1
174 1 13 LYS HB2 1 14 CYS H 1.800 . 3.500 1.912 1.758 2.594 0.042 3 0 "[ . 1]" 1
175 1 13 LYS HB2 1 14 CYS QB 1.800 . 5.000 4.054 3.114 4.534 . 0 0 "[ . 1]" 1
176 1 13 LYS HB2 1 15 ASN H 1.800 . 5.000 3.282 2.607 4.300 . 0 0 "[ . 1]" 1
177 1 13 LYS HB2 1 33 CYS HB2 1.800 . 5.000 4.284 3.036 5.275 0.275 9 0 "[ . 1]" 1
178 1 13 LYS HB2 1 33 CYS HB3 1.800 . 5.000 4.137 3.442 5.024 0.024 3 0 "[ . 1]" 1
179 1 13 LYS HB3 1 14 CYS H 1.800 . 3.500 2.723 2.132 3.166 . 0 0 "[ . 1]" 1
180 1 13 LYS HB3 1 14 CYS QB 1.800 . 5.000 3.962 3.376 4.404 . 0 0 "[ . 1]" 1
181 1 13 LYS HB3 1 15 ASN H 1.800 . 5.000 4.613 3.990 4.943 . 0 0 "[ . 1]" 1
182 1 13 LYS HB3 1 33 CYS HB2 1.800 . 5.000 3.512 2.330 5.145 0.145 9 0 "[ . 1]" 1
183 1 13 LYS HB3 1 33 CYS HB3 1.800 . 5.000 3.345 2.429 4.958 . 0 0 "[ . 1]" 1
184 1 13 LYS HG2 1 14 CYS H 1.800 . 5.000 4.324 4.113 4.680 . 0 0 "[ . 1]" 1
185 1 13 LYS HG3 1 14 CYS H 1.800 . 5.000 4.076 3.807 4.745 . 0 0 "[ . 1]" 1
186 1 14 CYS H 1 15 ASN H 1.800 . 5.000 2.115 1.825 2.628 . 0 0 "[ . 1]" 1
187 1 14 CYS H 1 15 ASN QB 1.800 . 5.000 4.268 3.800 4.546 . 0 0 "[ . 1]" 1
188 1 14 CYS H 1 32 ALA H 1.800 . 5.000 4.907 3.977 5.146 0.146 4 0 "[ . 1]" 1
189 1 14 CYS H 1 33 CYS HA 1.800 . 5.000 4.833 4.482 5.057 0.057 7 0 "[ . 1]" 1
190 1 14 CYS H 1 33 CYS HB2 1.800 . 5.000 3.889 1.957 5.132 0.132 9 0 "[ . 1]" 1
191 1 14 CYS H 1 33 CYS HB3 1.800 . 5.000 3.732 3.316 4.413 . 0 0 "[ . 1]" 1
192 1 14 CYS HA 1 15 ASN H 1.800 . 5.000 3.214 2.920 3.550 . 0 0 "[ . 1]" 1
193 1 14 CYS QB 1 34 PRO HD2 1.800 . 5.000 3.932 3.002 4.623 . 0 0 "[ . 1]" 1
194 1 14 CYS QB 1 34 PRO HD3 1.800 . 5.000 4.141 3.329 4.523 . 0 0 "[ . 1]" 1
195 1 14 CYS HB2 1 15 ASN H 1.800 . 5.000 3.982 3.347 4.574 . 0 0 "[ . 1]" 1
196 1 14 CYS HB2 1 33 CYS HA 1.800 . 5.000 3.304 2.671 3.803 . 0 0 "[ . 1]" 1
197 1 14 CYS HB2 1 33 CYS HB3 1.800 . 5.000 3.569 1.837 4.344 . 0 0 "[ . 1]" 1
198 1 14 CYS HB3 1 15 ASN H 1.800 . 5.000 4.257 3.221 4.609 . 0 0 "[ . 1]" 1
199 1 14 CYS HB3 1 33 CYS HA 1.800 . 5.000 3.298 1.970 4.716 . 0 0 "[ . 1]" 1
200 1 14 CYS HB3 1 33 CYS HB3 1.800 . 5.000 3.436 1.891 5.082 0.082 1 0 "[ . 1]" 1
201 1 15 ASN HB2 1 28 CYS HA 1.800 . 5.000 4.493 4.110 4.885 . 0 0 "[ . 1]" 1
202 1 15 ASN HB2 1 29 THR H 1.800 . 5.000 3.440 3.190 4.267 . 0 0 "[ . 1]" 1
203 1 15 ASN HB2 1 30 ARG H 1.800 . 5.000 2.739 1.902 4.130 . 0 0 "[ . 1]" 1
204 1 15 ASN HB2 1 30 ARG HA 1.800 . 5.000 4.606 4.098 5.123 0.123 7 0 "[ . 1]" 1
205 1 15 ASN HB2 1 31 MET H 1.800 . 5.000 3.994 2.283 4.958 . 0 0 "[ . 1]" 1
206 1 15 ASN HB2 1 32 ALA H 1.800 . 5.000 4.802 3.251 5.109 0.109 6 0 "[ . 1]" 1
207 1 15 ASN HB3 1 29 THR H 1.800 . 5.000 4.451 2.552 5.034 0.034 2 0 "[ . 1]" 1
208 1 15 ASN HB3 1 30 ARG H 1.800 . 5.000 3.262 2.661 4.106 . 0 0 "[ . 1]" 1
209 1 15 ASN HB3 1 30 ARG HA 1.800 . 5.000 4.641 4.047 5.037 0.037 1 0 "[ . 1]" 1
210 1 15 ASN HB3 1 31 MET H 1.800 . 5.000 3.538 2.375 4.834 . 0 0 "[ . 1]" 1
211 1 15 ASN HB3 1 32 ALA H 1.800 . 5.000 4.131 3.073 5.075 0.075 7 0 "[ . 1]" 1
212 1 15 ASN HD21 1 30 ARG H 1.800 . 5.000 3.685 2.624 4.507 . 0 0 "[ . 1]" 1
213 1 15 ASN HD21 1 31 MET H 1.800 . 5.000 3.087 2.325 4.228 . 0 0 "[ . 1]" 1
214 1 15 ASN HD21 1 31 MET HB2 1.800 . 5.000 4.227 3.208 5.013 0.013 1 0 "[ . 1]" 1
215 1 15 ASN HD21 1 31 MET HB3 1.800 . 5.000 4.423 3.315 5.048 0.048 7 0 "[ . 1]" 1
216 1 15 ASN HD21 1 32 ALA H 1.800 . 5.000 3.235 1.872 4.769 . 0 0 "[ . 1]" 1
217 1 15 ASN HD22 1 30 ARG H 1.800 . 5.000 4.355 2.237 4.999 . 0 0 "[ . 1]" 1
218 1 15 ASN HD22 1 31 MET H 1.800 . 5.000 3.564 2.156 4.993 . 0 0 "[ . 1]" 1
219 1 15 ASN HD22 1 31 MET HB2 1.800 . 5.000 4.357 1.780 5.024 0.024 10 0 "[ . 1]" 1
220 1 15 ASN HD22 1 31 MET HB3 1.800 . 5.000 4.377 3.250 4.996 . 0 0 "[ . 1]" 1
221 1 15 ASN HD22 1 32 ALA H 1.800 . 5.000 3.175 1.785 4.435 0.015 7 0 "[ . 1]" 1
222 1 16 THR H 1 16 THR MG 1.800 . 5.000 3.600 3.234 3.808 . 0 0 "[ . 1]" 1
223 1 16 THR H 1 17 CYS H 1.800 . 5.000 4.555 4.349 4.690 . 0 0 "[ . 1]" 1
224 1 16 THR H 1 28 CYS HA 1.800 . 5.000 4.518 3.884 5.097 0.097 7 0 "[ . 1]" 1
225 1 16 THR H 1 29 THR H 1.800 . 5.000 3.173 2.436 3.929 . 0 0 "[ . 1]" 1
226 1 16 THR H 1 29 THR MG 1.800 . 5.000 3.590 3.213 4.006 . 0 0 "[ . 1]" 1
227 1 16 THR HA 1 16 THR MG 1.800 . 5.000 2.253 1.972 2.661 . 0 0 "[ . 1]" 1
228 1 16 THR HA 1 17 CYS H 1.800 . 3.500 2.460 2.226 2.765 . 0 0 "[ . 1]" 1
229 1 16 THR HA 1 17 CYS HB2 1.800 . 5.000 3.979 3.711 4.334 . 0 0 "[ . 1]" 1
230 1 16 THR HB 1 17 CYS H 1.800 . 5.000 3.461 2.531 4.386 . 0 0 "[ . 1]" 1
231 1 16 THR HB 1 29 THR H 1.800 . 5.000 3.094 2.541 3.969 . 0 0 "[ . 1]" 1
232 1 16 THR HB 1 29 THR MG 1.800 . 5.000 2.862 1.844 4.172 . 0 0 "[ . 1]" 1
233 1 16 THR MG 1 17 CYS H 1.800 . 3.500 2.279 1.870 2.675 . 0 0 "[ . 1]" 1
234 1 16 THR MG 1 29 THR H 1.800 . 5.000 4.150 4.032 4.271 . 0 0 "[ . 1]" 1
235 1 17 CYS H 1 18 ARG H 1.800 . 5.000 3.860 3.346 4.403 . 0 0 "[ . 1]" 1
236 1 17 CYS H 1 28 CYS HA 1.800 . 5.000 3.947 3.487 4.344 . 0 0 "[ . 1]" 1
237 1 17 CYS HA 1 18 ARG H 1.800 . 3.500 2.246 2.194 2.353 . 0 0 "[ . 1]" 1
238 1 17 CYS HA 1 18 ARG HB2 1.800 . 5.000 4.588 4.132 4.926 . 0 0 "[ . 1]" 1
239 1 17 CYS HA 1 18 ARG HB3 1.800 . 5.000 4.597 4.337 5.054 0.054 2 0 "[ . 1]" 1
240 1 17 CYS HA 1 26 ALA MB 1.800 . 5.000 3.450 2.997 3.977 . 0 0 "[ . 1]" 1
241 1 17 CYS HA 1 27 ALA H 1.800 . 5.000 3.946 3.038 4.543 . 0 0 "[ . 1]" 1
242 1 17 CYS HA 1 28 CYS H 1.800 . 5.000 2.985 1.823 4.353 . 0 0 "[ . 1]" 1
243 1 17 CYS HA 1 28 CYS HA 1.800 . 3.500 1.876 1.787 2.129 0.013 3 0 "[ . 1]" 1
244 1 17 CYS HA 1 28 CYS HB2 1.800 . 5.000 4.012 3.197 4.606 . 0 0 "[ . 1]" 1
245 1 17 CYS HA 1 28 CYS HB3 1.800 . 5.000 4.001 3.236 4.453 . 0 0 "[ . 1]" 1
246 1 17 CYS HA 1 29 THR H 1.800 . 5.000 3.750 3.382 4.081 . 0 0 "[ . 1]" 1
247 1 17 CYS HB2 1 18 ARG H 1.800 . 5.000 4.601 4.451 4.683 . 0 0 "[ . 1]" 1
248 1 17 CYS HB2 1 28 CYS HA 1.800 . 5.000 3.998 3.205 4.668 . 0 0 "[ . 1]" 1
249 1 17 CYS HB3 1 18 ARG H 1.800 . 5.000 3.967 3.680 4.230 . 0 0 "[ . 1]" 1
250 1 17 CYS HB3 1 26 ALA MB 1.800 . 3.500 2.580 2.208 2.959 . 0 0 "[ . 1]" 1
251 1 17 CYS HB3 1 27 ALA H 1.800 . 5.000 4.715 4.043 5.032 0.032 10 0 "[ . 1]" 1
252 1 18 ARG H 1 19 CYS H 1.800 . 5.000 3.836 2.716 4.453 . 0 0 "[ . 1]" 1
253 1 18 ARG H 1 26 ALA MB 1.800 . 5.000 3.608 3.292 3.835 . 0 0 "[ . 1]" 1
254 1 18 ARG H 1 27 ALA H 1.800 . 5.000 3.327 2.769 4.103 . 0 0 "[ . 1]" 1
255 1 18 ARG H 1 28 CYS HA 1.800 . 5.000 3.434 2.820 3.810 . 0 0 "[ . 1]" 1
256 1 18 ARG HA 1 19 CYS H 1.800 . 3.500 2.595 2.168 3.496 . 0 0 "[ . 1]" 1
257 1 18 ARG HA 1 19 CYS HB2 1.800 . 5.000 4.023 3.833 4.300 . 0 0 "[ . 1]" 1
258 1 18 ARG HA 1 19 CYS HB3 1.800 . 5.000 5.049 4.846 5.260 0.260 9 0 "[ . 1]" 1
259 1 18 ARG HB2 1 18 ARG QD 1.800 . 5.000 2.445 2.009 3.313 . 0 0 "[ . 1]" 1
260 1 18 ARG HB2 1 19 CYS H 1.800 . 5.000 4.363 3.484 4.626 . 0 0 "[ . 1]" 1
261 1 18 ARG HB2 1 27 ALA H 1.800 . 5.000 4.605 3.552 5.061 0.061 5 0 "[ . 1]" 1
262 1 18 ARG HB3 1 18 ARG QD 1.800 . 5.000 3.137 2.463 3.435 . 0 0 "[ . 1]" 1
263 1 18 ARG HB3 1 19 CYS H 1.800 . 5.000 3.978 2.808 4.522 . 0 0 "[ . 1]" 1
264 1 18 ARG HB3 1 27 ALA H 1.800 . 5.000 3.353 2.619 4.349 . 0 0 "[ . 1]" 1
265 1 18 ARG QD 1 19 CYS H 1.800 . 5.000 3.955 2.513 4.510 . 0 0 "[ . 1]" 1
266 1 18 ARG HG2 1 19 CYS H 1.800 . 5.000 4.930 4.331 5.092 0.092 10 0 "[ . 1]" 1
267 1 18 ARG HG3 1 19 CYS H 1.800 . 5.000 3.817 3.138 5.091 0.091 10 0 "[ . 1]" 1
268 1 19 CYS H 1 20 GLY H 1.800 . 5.000 4.193 3.283 4.627 . 0 0 "[ . 1]" 1
269 1 19 CYS H 1 26 ALA MB 1.800 . 5.000 3.081 1.866 4.027 . 0 0 "[ . 1]" 1
270 1 19 CYS HA 1 20 GLY H 1.800 . 3.500 2.245 2.210 2.316 . 0 0 "[ . 1]" 1
271 1 19 CYS HB2 1 20 GLY H 1.800 . 5.000 4.614 4.523 4.699 . 0 0 "[ . 1]" 1
272 1 19 CYS HB3 1 20 GLY H 1.800 . 5.000 4.017 3.696 4.254 . 0 0 "[ . 1]" 1
273 1 20 GLY H 1 21 SER H 1.800 . 5.000 4.584 4.225 4.701 . 0 0 "[ . 1]" 1
274 1 20 GLY H 1 22 ASP H 1.800 . 5.000 4.734 4.296 5.010 0.010 9 0 "[ . 1]" 1
275 1 20 GLY H 1 23 GLY H 1.800 . 5.000 4.584 4.265 4.985 . 0 0 "[ . 1]" 1
276 1 20 GLY H 1 25 SER H 1.800 . 5.000 3.518 3.107 3.988 . 0 0 "[ . 1]" 1
277 1 20 GLY H 1 25 SER HA 1.800 . 5.000 4.809 4.644 5.003 0.003 5 0 "[ . 1]" 1
278 1 20 GLY H 1 26 ALA HA 1.800 . 5.000 2.324 1.851 2.914 . 0 0 "[ . 1]" 1
279 1 20 GLY H 1 26 ALA MB 1.800 . 5.000 2.557 1.833 3.077 . 0 0 "[ . 1]" 1
280 1 20 GLY H 1 27 ALA H 1.800 . 5.000 4.455 4.061 4.915 . 0 0 "[ . 1]" 1
281 1 20 GLY HA2 1 21 SER H 1.800 . 3.500 2.644 2.446 3.047 . 0 0 "[ . 1]" 1
282 1 20 GLY HA3 1 21 SER H 1.800 . 3.500 2.584 2.253 2.780 . 0 0 "[ . 1]" 1
283 1 20 GLY HA3 1 23 GLY H 1.800 . 5.000 4.053 3.263 4.695 . 0 0 "[ . 1]" 1
284 1 20 GLY HA3 1 25 SER H 1.800 . 5.000 4.073 2.987 4.814 . 0 0 "[ . 1]" 1
285 1 20 GLY HA3 1 26 ALA HA 1.800 . 5.000 3.485 3.118 3.891 . 0 0 "[ . 1]" 1
286 1 21 SER H 1 22 ASP H 1.800 . 5.000 2.433 2.265 2.681 . 0 0 "[ . 1]" 1
287 1 21 SER H 1 23 GLY H 1.800 . 5.000 4.258 3.965 4.796 . 0 0 "[ . 1]" 1
288 1 21 SER HA 1 23 GLY H 1.800 . 5.000 3.905 3.681 4.276 . 0 0 "[ . 1]" 1
289 1 21 SER QB 1 22 ASP H 1.800 . 5.000 3.420 3.001 3.938 . 0 0 "[ . 1]" 1
290 1 22 ASP HA 1 23 GLY H 1.800 . 5.000 3.413 3.183 3.550 . 0 0 "[ . 1]" 1
291 1 22 ASP HB2 1 23 GLY H 1.800 . 5.000 3.459 2.642 4.102 . 0 0 "[ . 1]" 1
292 1 22 ASP HB3 1 23 GLY H 1.800 . 5.000 3.823 3.131 4.273 . 0 0 "[ . 1]" 1
293 1 24 LYS H 1 24 LYS HG2 1.800 . 5.000 4.261 2.123 5.027 0.027 4 0 "[ . 1]" 1
294 1 24 LYS H 1 24 LYS HG3 1.800 . 5.000 4.051 2.530 4.915 . 0 0 "[ . 1]" 1
295 1 24 LYS H 1 25 SER H 1.800 . 3.500 2.434 1.869 2.986 . 0 0 "[ . 1]" 1
296 1 24 LYS HA 1 24 LYS HD2 1.800 . 5.000 4.152 2.128 5.015 0.015 10 0 "[ . 1]" 1
297 1 24 LYS HA 1 24 LYS HD3 1.800 . 5.000 3.855 2.332 4.433 . 0 0 "[ . 1]" 1
298 1 24 LYS HA 1 24 LYS QE 1.800 . 5.000 4.144 2.898 4.520 . 0 0 "[ . 1]" 1
299 1 24 LYS HA 1 24 LYS QG 1.800 . 5.000 2.486 1.947 3.365 . 0 0 "[ . 1]" 1
300 1 24 LYS HA 1 25 SER H 1.800 . 5.000 2.956 2.697 3.178 . 0 0 "[ . 1]" 1
301 1 24 LYS HB2 1 25 SER H 1.800 . 5.000 4.422 4.241 4.610 . 0 0 "[ . 1]" 1
302 1 24 LYS HB3 1 25 SER H 1.800 . 5.000 4.179 3.752 4.691 . 0 0 "[ . 1]" 1
303 1 25 SER H 1 26 ALA H 1.800 . 5.000 3.933 3.576 4.252 . 0 0 "[ . 1]" 1
304 1 25 SER H 1 26 ALA MB 1.800 . 5.000 3.899 3.685 4.042 . 0 0 "[ . 1]" 1
305 1 25 SER HA 1 26 ALA H 1.800 . 3.500 2.242 2.210 2.296 . 0 0 "[ . 1]" 1
306 1 25 SER HB2 1 26 ALA H 1.800 . 5.000 4.297 3.779 4.561 . 0 0 "[ . 1]" 1
307 1 25 SER HB2 1 26 ALA HA 1.800 . 5.000 4.760 4.255 5.040 0.040 2 0 "[ . 1]" 1
308 1 25 SER HB3 1 26 ALA H 1.800 . 5.000 3.686 3.337 4.001 . 0 0 "[ . 1]" 1
309 1 25 SER HB3 1 26 ALA HA 1.800 . 5.000 4.730 4.509 5.000 . 0 0 "[ . 1]" 1
310 1 26 ALA H 1 26 ALA MB 1.800 . 5.000 2.459 2.217 2.738 . 0 0 "[ . 1]" 1
311 1 26 ALA H 1 27 ALA H 1.800 . 5.000 4.431 4.222 4.528 . 0 0 "[ . 1]" 1
312 1 26 ALA H 1 27 ALA HA 1.800 . 5.000 4.879 4.626 5.054 0.054 9 0 "[ . 1]" 1
313 1 26 ALA HA 1 27 ALA H 1.800 . 3.500 2.494 2.273 2.952 . 0 0 "[ . 1]" 1
314 1 27 ALA H 1 27 ALA MB 1.800 . 3.500 2.165 1.970 2.567 . 0 0 "[ . 1]" 1
315 1 27 ALA H 1 28 CYS H 1.800 . 5.000 3.189 1.855 4.599 . 0 0 "[ . 1]" 1
316 1 27 ALA H 1 28 CYS HA 1.800 . 5.000 4.687 4.010 5.064 0.064 7 0 "[ . 1]" 1
317 1 27 ALA HA 1 28 CYS H 1.800 . 3.500 3.043 2.254 3.568 0.068 1 0 "[ . 1]" 1
318 1 27 ALA MB 1 28 CYS H 1.800 . 5.000 2.600 2.058 3.129 . 0 0 "[ . 1]" 1
319 1 27 ALA MB 1 28 CYS HA 1.800 . 5.000 4.116 4.014 4.236 . 0 0 "[ . 1]" 1
320 1 28 CYS HA 1 29 THR H 1.800 . 3.500 2.253 2.219 2.342 . 0 0 "[ . 1]" 1
321 1 28 CYS HB3 1 29 THR H 1.800 . 5.000 3.291 3.067 3.596 . 0 0 "[ . 1]" 1
322 1 29 THR H 1 29 THR MG 1.800 . 5.000 2.702 1.894 3.696 . 0 0 "[ . 1]" 1
323 1 29 THR HA 1 29 THR MG 1.800 . 3.500 2.174 1.894 2.385 . 0 0 "[ . 1]" 1
324 1 29 THR HA 1 30 ARG H 1.800 . 3.500 3.515 3.398 3.573 0.073 7 0 "[ . 1]" 1
325 1 29 THR HB 1 30 ARG H 1.800 . 3.500 2.926 1.831 3.549 0.049 10 0 "[ . 1]" 1
326 1 30 ARG H 1 31 MET H 1.800 . 5.000 3.284 1.980 4.512 . 0 0 "[ . 1]" 1
327 1 30 ARG HA 1 30 ARG QD 1.800 . 5.000 3.511 2.723 4.214 . 0 0 "[ . 1]" 1
328 1 30 ARG HA 1 31 MET H 1.800 . 3.500 2.903 2.190 3.576 0.076 4 0 "[ . 1]" 1
329 1 31 MET HA 1 31 MET QG 1.800 . 5.000 2.295 1.936 3.292 . 0 0 "[ . 1]" 1
330 1 31 MET HB2 1 32 ALA H 1.800 . 5.000 3.796 3.081 4.657 . 0 0 "[ . 1]" 1
331 1 31 MET HB3 1 32 ALA H 1.800 . 5.000 3.087 1.767 4.626 0.033 5 0 "[ . 1]" 1
332 1 32 ALA H 1 32 ALA MB 1.800 . 3.500 2.691 2.252 2.953 . 0 0 "[ . 1]" 1
333 1 32 ALA MB 1 33 CYS HA 1.800 . 5.000 4.044 3.710 4.175 . 0 0 "[ . 1]" 1
334 1 33 CYS H 1 34 PRO QD 1.800 . 5.000 3.961 2.075 4.398 . 0 0 "[ . 1]" 1
335 1 33 CYS HA 1 34 PRO HB3 1.800 . 5.000 4.935 4.719 5.285 0.285 4 0 "[ . 1]" 1
336 1 33 CYS HA 1 34 PRO HD2 1.800 . 5.000 2.294 2.007 2.907 . 0 0 "[ . 1]" 1
337 1 33 CYS HA 1 34 PRO HD3 1.800 . 5.000 2.320 1.855 3.215 . 0 0 "[ . 1]" 1
338 1 33 CYS HB2 1 34 PRO HD2 1.800 . 5.000 3.895 2.259 4.798 . 0 0 "[ . 1]" 1
339 1 33 CYS HB2 1 34 PRO HD3 1.800 . 5.000 4.466 3.166 4.978 . 0 0 "[ . 1]" 1
340 1 33 CYS HB3 1 34 PRO HD2 1.800 . 5.000 3.496 2.060 4.537 . 0 0 "[ . 1]" 1
341 1 33 CYS HB3 1 34 PRO HD3 1.800 . 5.000 4.288 3.242 5.020 0.020 4 0 "[ . 1]" 1
342 1 33 CYS HB3 1 35 GLN H 1.800 . 5.000 3.567 2.762 4.456 . 0 0 "[ . 1]" 1
343 1 34 PRO HA 1 35 GLN H 1.800 . 3.500 3.316 2.620 3.555 0.055 10 0 "[ . 1]" 1
344 1 34 PRO HB2 1 35 GLN H 1.800 . 5.000 3.698 3.158 4.374 . 0 0 "[ . 1]" 1
345 1 34 PRO HB3 1 34 PRO HD3 1.800 . 3.500 3.118 2.785 3.504 0.004 9 0 "[ . 1]" 1
346 1 34 PRO HB3 1 35 GLN H 1.800 . 5.000 4.340 4.042 4.700 . 0 0 "[ . 1]" 1
347 1 34 PRO QG 1 35 GLN H 1.800 . 5.000 3.050 2.222 4.604 . 0 0 "[ . 1]" 1
348 1 35 GLN HA 1 35 GLN QG 1.800 . 5.000 2.124 1.935 2.468 . 0 0 "[ . 1]" 1
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