NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384306 |
1kgm   |
5272 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kgm
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 365
_Distance_constraint_stats_list.Viol_count 164
_Distance_constraint_stats_list.Viol_total 69.627
_Distance_constraint_stats_list.Viol_max 0.258
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0425
_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 VAL 0.391 0.071 9 0 "[ . 1]"
1 3 THR 0.446 0.156 10 0 "[ . 1]"
1 4 CYS 0.130 0.064 10 0 "[ . 1]"
1 5 GLU 0.155 0.035 7 0 "[ . 1]"
1 6 PRO 0.159 0.031 5 0 "[ . 1]"
1 7 GLY 0.019 0.010 1 0 "[ . 1]"
1 8 THR 0.417 0.041 1 0 "[ . 1]"
1 9 THR 0.372 0.041 1 0 "[ . 1]"
1 10 PHE 0.083 0.024 4 0 "[ . 1]"
1 11 LYS 0.102 0.049 6 0 "[ . 1]"
1 12 ASP 0.715 0.151 7 0 "[ . 1]"
1 13 LYS 1.585 0.239 7 0 "[ . 1]"
1 14 CYS 0.521 0.189 3 0 "[ . 1]"
1 15 ASN 0.297 0.061 2 0 "[ . 1]"
1 16 THR 1.241 0.258 3 0 "[ . 1]"
1 17 CYS 1.276 0.258 3 0 "[ . 1]"
1 18 ARG 0.330 0.096 7 0 "[ . 1]"
1 19 CYS 0.366 0.096 7 0 "[ . 1]"
1 20 GLY 0.000 0.000 . 0 "[ . 1]"
1 21 SER 0.019 0.010 1 0 "[ . 1]"
1 22 ASP 0.278 0.092 5 0 "[ . 1]"
1 23 GLY 0.394 0.092 5 0 "[ . 1]"
1 24 LYS 0.192 0.071 9 0 "[ . 1]"
1 25 SER 0.022 0.018 7 0 "[ . 1]"
1 26 ALA 0.193 0.068 4 0 "[ . 1]"
1 27 ALA 0.607 0.062 3 0 "[ . 1]"
1 28 CYS 0.405 0.062 3 0 "[ . 1]"
1 29 THR 0.095 0.078 2 0 "[ . 1]"
1 30 LEU 0.192 0.105 8 0 "[ . 1]"
1 31 LYS 0.163 0.069 2 0 "[ . 1]"
1 32 ALA 0.174 0.072 10 0 "[ . 1]"
1 33 CYS 0.716 0.189 3 0 "[ . 1]"
1 34 PRO 0.130 0.060 2 0 "[ . 1]"
1 35 GLN 0.109 0.060 2 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 2 VAL H 1 2 VAL HB 1.800 . 3.500 2.785 2.351 3.504 0.004 9 0 "[ . 1]" 1
2 1 2 VAL H 1 2 VAL MG1 1.800 . 5.000 3.438 1.808 4.012 . 0 0 "[ . 1]" 1
3 1 2 VAL H 1 2 VAL MG2 1.800 . 5.000 2.552 1.906 3.830 . 0 0 "[ . 1]" 1
4 1 2 VAL H 1 24 LYS HA 1.800 . 5.000 4.426 3.585 5.071 0.071 9 0 "[ . 1]" 1
5 1 2 VAL HA 1 2 VAL MG1 1.800 . 5.000 2.525 2.198 3.182 . 0 0 "[ . 1]" 1
6 1 2 VAL HA 1 2 VAL MG2 1.800 . 5.000 2.386 2.260 2.490 . 0 0 "[ . 1]" 1
7 1 2 VAL HA 1 3 THR H 1.800 . 3.500 2.760 2.214 3.551 0.051 8 0 "[ . 1]" 1
8 1 2 VAL HB 1 3 THR H 1.800 . 5.000 3.372 1.825 4.377 . 0 0 "[ . 1]" 1
9 1 2 VAL HB 1 25 SER HA 1.800 . 5.000 3.889 2.816 5.018 0.018 7 0 "[ . 1]" 1
10 1 2 VAL QG 1 25 SER H 1.800 . 5.000 2.679 1.926 3.754 . 0 0 "[ . 1]" 1
11 1 2 VAL MG1 1 3 THR H 1.800 . 5.000 2.941 1.796 4.135 0.004 4 0 "[ . 1]" 1
12 1 2 VAL MG1 1 10 PHE QE 1.800 . 7.150 3.470 2.786 4.820 . 0 0 "[ . 1]" 1
13 1 2 VAL MG1 1 10 PHE HZ 1.800 . 5.000 2.771 1.977 4.127 . 0 0 "[ . 1]" 1
14 1 2 VAL MG1 1 24 LYS HA 1.800 . 5.000 3.339 2.407 4.075 . 0 0 "[ . 1]" 1
15 1 2 VAL MG1 1 25 SER HA 1.800 . 5.000 3.417 2.176 4.103 . 0 0 "[ . 1]" 1
16 1 2 VAL MG1 1 26 ALA H 1.800 . 5.000 3.169 2.017 4.000 . 0 0 "[ . 1]" 1
17 1 2 VAL MG1 1 26 ALA MB 1.800 . 3.500 1.884 1.732 2.042 0.068 4 0 "[ . 1]" 1
18 1 2 VAL MG2 1 3 THR H 1.800 . 5.000 3.520 1.920 4.201 . 0 0 "[ . 1]" 1
19 1 2 VAL MG2 1 10 PHE QE 1.800 . 7.150 4.220 2.947 4.785 . 0 0 "[ . 1]" 1
20 1 2 VAL MG2 1 10 PHE HZ 1.800 . 5.000 3.367 1.861 4.058 . 0 0 "[ . 1]" 1
21 1 2 VAL MG2 1 24 LYS HA 1.800 . 5.000 4.058 3.876 4.210 . 0 0 "[ . 1]" 1
22 1 2 VAL MG2 1 25 SER HA 1.800 . 5.000 2.928 2.011 4.008 . 0 0 "[ . 1]" 1
23 1 2 VAL MG2 1 26 ALA H 1.800 . 5.000 2.698 1.869 4.029 . 0 0 "[ . 1]" 1
24 1 2 VAL MG2 1 26 ALA MB 1.800 . 3.500 1.943 1.799 2.128 0.001 1 0 "[ . 1]" 1
25 1 3 THR H 1 3 THR HB 1.800 . 3.500 3.105 2.520 3.656 0.156 10 0 "[ . 1]" 1
26 1 3 THR H 1 3 THR MG 1.800 . 5.000 2.984 1.910 4.016 . 0 0 "[ . 1]" 1
27 1 3 THR H 1 4 CYS H 1.800 . 5.000 3.346 2.469 4.189 . 0 0 "[ . 1]" 1
28 1 3 THR H 1 4 CYS HB3 1.800 . 5.000 4.243 3.440 5.064 0.064 10 0 "[ . 1]" 1
29 1 3 THR H 1 24 LYS HA 1.800 . 5.000 3.973 1.863 5.029 0.029 3 0 "[ . 1]" 1
30 1 3 THR HA 1 3 THR MG 1.800 . 5.000 2.740 2.282 3.192 . 0 0 "[ . 1]" 1
31 1 3 THR HA 1 4 CYS H 1.800 . 3.500 2.529 2.339 2.846 . 0 0 "[ . 1]" 1
32 1 3 THR HB 1 4 CYS H 1.800 . 5.000 4.538 4.206 4.678 . 0 0 "[ . 1]" 1
33 1 3 THR MG 1 4 CYS H 1.800 . 5.000 3.869 3.421 4.096 . 0 0 "[ . 1]" 1
34 1 4 CYS H 1 24 LYS HA 1.800 . 5.000 3.875 3.188 4.584 . 0 0 "[ . 1]" 1
35 1 4 CYS HB2 1 5 GLU H 1.800 . 5.000 2.617 1.965 3.545 . 0 0 "[ . 1]" 1
36 1 4 CYS HB2 1 10 PHE QD 1.800 . 7.150 3.494 3.088 4.132 . 0 0 "[ . 1]" 1
37 1 4 CYS HB2 1 10 PHE QE 1.800 . 7.150 2.962 2.200 3.719 . 0 0 "[ . 1]" 1
38 1 4 CYS HB2 1 10 PHE HZ 1.800 . 5.000 4.756 4.037 5.024 0.024 4 0 "[ . 1]" 1
39 1 4 CYS HB3 1 5 GLU H 1.800 . 5.000 3.768 3.502 3.984 . 0 0 "[ . 1]" 1
40 1 4 CYS HB3 1 10 PHE QD 1.800 . 7.150 3.950 3.401 4.651 . 0 0 "[ . 1]" 1
41 1 4 CYS HB3 1 10 PHE QE 1.800 . 7.150 2.771 2.441 3.075 . 0 0 "[ . 1]" 1
42 1 4 CYS HB3 1 10 PHE HZ 1.800 . 5.000 3.893 3.371 4.203 . 0 0 "[ . 1]" 1
43 1 5 GLU H 1 6 PRO HD2 1.800 . 5.000 4.882 4.857 4.920 . 0 0 "[ . 1]" 1
44 1 5 GLU H 1 6 PRO HD3 1.800 . 5.000 4.954 4.849 5.019 0.019 1 0 "[ . 1]" 1
45 1 5 GLU H 1 19 CYS HB2 1.800 . 5.000 4.475 3.812 5.016 0.016 7 0 "[ . 1]" 1
46 1 5 GLU H 1 19 CYS HB3 1.800 . 5.000 4.748 4.338 5.035 0.035 7 0 "[ . 1]" 1
47 1 5 GLU HA 1 5 GLU HG2 1.800 . 3.500 2.913 2.243 3.524 0.024 4 0 "[ . 1]" 1
48 1 5 GLU HA 1 6 PRO HD2 1.800 . 5.000 2.271 2.111 2.465 . 0 0 "[ . 1]" 1
49 1 5 GLU HA 1 6 PRO HD3 1.800 . 5.000 2.244 2.177 2.317 . 0 0 "[ . 1]" 1
50 1 6 PRO HA 1 6 PRO HD2 1.800 . 5.000 4.094 4.089 4.097 . 0 0 "[ . 1]" 1
51 1 6 PRO HA 1 6 PRO HD3 1.800 . 5.000 3.616 3.548 3.668 . 0 0 "[ . 1]" 1
52 1 6 PRO HA 1 7 GLY H 1.800 . 3.500 2.228 2.202 2.266 . 0 0 "[ . 1]" 1
53 1 6 PRO HA 1 8 THR H 1.800 . 5.000 4.116 3.766 4.489 . 0 0 "[ . 1]" 1
54 1 6 PRO HA 1 19 CYS HB2 1.800 . 5.000 4.158 3.808 4.403 . 0 0 "[ . 1]" 1
55 1 6 PRO HA 1 19 CYS HB3 1.800 . 5.000 2.475 2.098 2.779 . 0 0 "[ . 1]" 1
56 1 6 PRO HB2 1 7 GLY H 1.800 . 5.000 3.767 3.347 4.034 . 0 0 "[ . 1]" 1
57 1 6 PRO HB2 1 21 SER HA 1.800 . 5.000 2.098 1.871 2.471 . 0 0 "[ . 1]" 1
58 1 6 PRO HB2 1 23 GLY H 1.800 . 5.000 4.154 3.808 4.592 . 0 0 "[ . 1]" 1
59 1 6 PRO HB3 1 7 GLY H 1.800 . 5.000 4.195 3.915 4.386 . 0 0 "[ . 1]" 1
60 1 6 PRO HB3 1 21 SER HA 1.800 . 3.500 2.244 1.853 2.697 . 0 0 "[ . 1]" 1
61 1 6 PRO HB3 1 23 GLY H 1.800 . 5.000 2.437 2.134 2.835 . 0 0 "[ . 1]" 1
62 1 6 PRO HD3 1 23 GLY H 1.800 . 5.000 3.627 3.030 4.246 . 0 0 "[ . 1]" 1
63 1 6 PRO HG2 1 21 SER HA 1.800 . 5.000 4.235 4.038 4.636 . 0 0 "[ . 1]" 1
64 1 6 PRO HG2 1 23 GLY H 1.800 . 5.000 5.011 4.998 5.031 0.031 5 0 "[ . 1]" 1
65 1 6 PRO HG3 1 21 SER HA 1.800 . 5.000 3.947 3.546 4.291 . 0 0 "[ . 1]" 1
66 1 6 PRO HG3 1 23 GLY H 1.800 . 5.000 3.731 3.607 3.917 . 0 0 "[ . 1]" 1
67 1 7 GLY H 1 8 THR H 1.800 . 3.500 2.311 1.916 2.952 . 0 0 "[ . 1]" 1
68 1 7 GLY H 1 18 ARG QD 1.800 . 5.000 3.814 3.149 4.251 . 0 0 "[ . 1]" 1
69 1 7 GLY H 1 19 CYS H 1.800 . 5.000 4.137 3.786 4.590 . 0 0 "[ . 1]" 1
70 1 7 GLY H 1 19 CYS HB2 1.800 . 5.000 3.895 3.305 4.318 . 0 0 "[ . 1]" 1
71 1 7 GLY H 1 19 CYS HB3 1.800 . 5.000 2.350 2.005 2.695 . 0 0 "[ . 1]" 1
72 1 7 GLY H 1 21 SER HA 1.800 . 5.000 4.400 3.179 5.010 0.010 1 0 "[ . 1]" 1
73 1 7 GLY HA2 1 8 THR H 1.800 . 5.000 2.774 2.520 2.986 . 0 0 "[ . 1]" 1
74 1 7 GLY HA3 1 8 THR H 1.800 . 5.000 3.559 3.497 3.589 . 0 0 "[ . 1]" 1
75 1 8 THR H 1 8 THR MG 1.800 . 5.000 3.932 3.730 4.035 . 0 0 "[ . 1]" 1
76 1 8 THR H 1 9 THR H 1.800 . 5.000 1.816 1.761 1.851 0.039 6 0 "[ . 1]" 1
77 1 8 THR H 1 18 ARG HA 1.800 . 5.000 4.884 4.685 5.036 0.036 6 0 "[ . 1]" 1
78 1 8 THR H 1 18 ARG QD 1.800 . 5.000 3.433 3.232 3.727 . 0 0 "[ . 1]" 1
79 1 8 THR H 1 19 CYS H 1.800 . 5.000 3.460 3.227 3.828 . 0 0 "[ . 1]" 1
80 1 8 THR H 1 19 CYS HB2 1.800 . 5.000 3.338 2.680 3.756 . 0 0 "[ . 1]" 1
81 1 8 THR H 1 19 CYS HB3 1.800 . 5.000 2.788 2.452 3.180 . 0 0 "[ . 1]" 1
82 1 8 THR HA 1 8 THR MG 1.800 . 5.000 2.251 2.032 2.490 . 0 0 "[ . 1]" 1
83 1 8 THR HA 1 9 THR H 1.800 . 3.500 3.520 3.396 3.541 0.041 1 0 "[ . 1]" 1
84 1 8 THR HA 1 9 THR HB 1.800 . 5.000 4.825 4.734 4.914 . 0 0 "[ . 1]" 1
85 1 8 THR HA 1 9 THR MG 1.800 . 5.000 3.418 3.148 3.538 . 0 0 "[ . 1]" 1
86 1 8 THR HB 1 9 THR H 1.800 . 3.500 2.805 2.650 3.379 . 0 0 "[ . 1]" 1
87 1 8 THR HB 1 10 PHE QD 1.800 . 7.150 3.975 3.603 4.148 . 0 0 "[ . 1]" 1
88 1 8 THR HB 1 19 CYS QB 1.800 . 5.000 3.170 2.928 3.342 . 0 0 "[ . 1]" 1
89 1 8 THR MG 1 9 THR H 1.800 . 5.000 3.730 3.257 4.026 . 0 0 "[ . 1]" 1
90 1 8 THR MG 1 10 PHE QD 1.800 . 7.150 3.686 2.564 4.386 . 0 0 "[ . 1]" 1
91 1 9 THR H 1 9 THR HB 1.800 . 3.500 2.856 2.835 2.884 . 0 0 "[ . 1]" 1
92 1 9 THR H 1 9 THR MG 1.800 . 5.000 3.319 3.155 3.439 . 0 0 "[ . 1]" 1
93 1 9 THR H 1 18 ARG HA 1.800 . 5.000 3.656 3.443 3.922 . 0 0 "[ . 1]" 1
94 1 9 THR H 1 19 CYS H 1.800 . 5.000 2.247 1.991 2.550 . 0 0 "[ . 1]" 1
95 1 9 THR HA 1 9 THR MG 1.800 . 5.000 3.195 3.193 3.203 . 0 0 "[ . 1]" 1
96 1 9 THR HA 1 10 PHE H 1.800 . 3.500 2.660 2.562 2.756 . 0 0 "[ . 1]" 1
97 1 9 THR HA 1 10 PHE QB 1.800 . 5.000 4.273 4.206 4.327 . 0 0 "[ . 1]" 1
98 1 9 THR HA 1 10 PHE QD 1.800 . 7.150 2.891 2.670 3.098 . 0 0 "[ . 1]" 1
99 1 9 THR HA 1 10 PHE QE 1.800 . 7.150 3.387 3.232 3.534 . 0 0 "[ . 1]" 1
100 1 9 THR HA 1 17 CYS H 1.800 . 5.000 4.593 4.220 4.984 . 0 0 "[ . 1]" 1
101 1 9 THR HA 1 18 ARG H 1.800 . 5.000 4.603 4.415 4.832 . 0 0 "[ . 1]" 1
102 1 9 THR HA 1 18 ARG HA 1.800 . 3.500 2.319 1.946 2.674 . 0 0 "[ . 1]" 1
103 1 9 THR HA 1 18 ARG HB2 1.800 . 5.000 4.759 4.327 5.004 0.004 3 0 "[ . 1]" 1
104 1 9 THR HA 1 19 CYS H 1.800 . 5.000 1.945 1.840 2.106 . 0 0 "[ . 1]" 1
105 1 9 THR HA 1 19 CYS HA 1.800 . 5.000 4.201 3.887 4.337 . 0 0 "[ . 1]" 1
106 1 9 THR HB 1 10 PHE H 1.800 . 5.000 3.742 3.638 3.869 . 0 0 "[ . 1]" 1
107 1 9 THR MG 1 10 PHE H 1.800 . 5.000 2.770 2.568 2.895 . 0 0 "[ . 1]" 1
108 1 9 THR MG 1 10 PHE HA 1.800 . 5.000 3.110 3.040 3.250 . 0 0 "[ . 1]" 1
109 1 9 THR MG 1 18 ARG HA 1.800 . 5.000 3.607 3.536 3.695 . 0 0 "[ . 1]" 1
110 1 9 THR MG 1 18 ARG QD 1.800 . 5.000 3.366 2.982 3.675 . 0 0 "[ . 1]" 1
111 1 9 THR MG 1 19 CYS H 1.800 . 5.000 4.206 4.087 4.243 . 0 0 "[ . 1]" 1
112 1 10 PHE H 1 10 PHE QD 1.800 . 5.650 3.358 3.219 3.424 . 0 0 "[ . 1]" 1
113 1 10 PHE H 1 10 PHE QE 1.800 . 7.150 4.439 4.378 4.515 . 0 0 "[ . 1]" 1
114 1 10 PHE H 1 11 LYS H 1.800 . 5.000 4.387 4.366 4.399 . 0 0 "[ . 1]" 1
115 1 10 PHE H 1 16 THR MG 1.800 . 3.500 2.456 2.058 2.718 . 0 0 "[ . 1]" 1
116 1 10 PHE H 1 17 CYS H 1.800 . 3.500 2.822 2.499 3.126 . 0 0 "[ . 1]" 1
117 1 10 PHE H 1 17 CYS HB2 1.800 . 5.000 4.735 4.305 5.000 . 0 0 "[ . 1]" 1
118 1 10 PHE H 1 17 CYS HB3 1.800 . 5.000 4.439 4.211 5.012 0.012 2 0 "[ . 1]" 1
119 1 10 PHE H 1 18 ARG HA 1.800 . 5.000 3.677 3.429 3.996 . 0 0 "[ . 1]" 1
120 1 10 PHE HA 1 10 PHE QD 1.800 . 7.150 3.697 3.685 3.706 . 0 0 "[ . 1]" 1
121 1 10 PHE HA 1 11 LYS H 1.800 . 3.500 2.703 2.571 2.806 . 0 0 "[ . 1]" 1
122 1 10 PHE QB 1 11 LYS H 1.800 . 3.500 2.032 1.860 2.243 . 0 0 "[ . 1]" 1
123 1 10 PHE QD 1 11 LYS H 1.800 . 7.150 3.007 2.682 3.243 . 0 0 "[ . 1]" 1
124 1 10 PHE QD 1 11 LYS HB2 1.800 . 6.000 4.725 4.499 4.892 . 0 0 "[ . 1]" 1
125 1 10 PHE QD 1 12 ASP HB2 1.800 . 7.150 2.770 2.038 3.293 . 0 0 "[ . 1]" 1
126 1 10 PHE QD 1 12 ASP HB3 1.800 . 7.150 4.404 3.689 5.002 . 0 0 "[ . 1]" 1
127 1 10 PHE QD 1 17 CYS HB2 1.800 . 7.150 3.730 3.018 4.387 . 0 0 "[ . 1]" 1
128 1 10 PHE QD 1 17 CYS HB3 1.800 . 7.150 3.888 3.522 4.265 . 0 0 "[ . 1]" 1
129 1 10 PHE QD 1 18 ARG HA 1.800 . 7.150 5.031 4.524 5.444 . 0 0 "[ . 1]" 1
130 1 10 PHE QD 1 19 CYS H 1.800 . 7.150 4.168 3.826 4.576 . 0 0 "[ . 1]" 1
131 1 10 PHE QD 1 19 CYS HB2 1.800 . 7.150 3.356 2.704 3.861 . 0 0 "[ . 1]" 1
132 1 10 PHE QD 1 19 CYS HB3 1.800 . 7.150 4.974 4.380 5.468 . 0 0 "[ . 1]" 1
133 1 10 PHE QD 1 26 ALA MB 1.800 . 7.150 4.984 4.619 5.230 . 0 0 "[ . 1]" 1
134 1 10 PHE QE 1 11 LYS H 1.800 . 7.150 5.312 5.000 5.533 . 0 0 "[ . 1]" 1
135 1 10 PHE QE 1 12 ASP HB2 1.800 . 7.150 2.411 2.035 2.693 . 0 0 "[ . 1]" 1
136 1 10 PHE QE 1 12 ASP HB3 1.800 . 7.150 3.716 2.899 4.255 . 0 0 "[ . 1]" 1
137 1 10 PHE QE 1 17 CYS HB2 1.800 . 7.150 2.640 1.896 3.470 . 0 0 "[ . 1]" 1
138 1 10 PHE QE 1 17 CYS HB3 1.800 . 7.150 2.525 2.244 2.986 . 0 0 "[ . 1]" 1
139 1 10 PHE QE 1 18 ARG HA 1.800 . 7.150 4.953 4.578 5.292 . 0 0 "[ . 1]" 1
140 1 10 PHE QE 1 19 CYS H 1.800 . 7.150 3.706 3.441 4.066 . 0 0 "[ . 1]" 1
141 1 10 PHE QE 1 19 CYS HB2 1.800 . 7.150 2.676 2.393 2.909 . 0 0 "[ . 1]" 1
142 1 10 PHE QE 1 19 CYS HB3 1.800 . 7.150 4.256 3.774 4.562 . 0 0 "[ . 1]" 1
143 1 10 PHE QE 1 20 GLY H 1.800 . 7.150 5.317 4.206 5.786 . 0 0 "[ . 1]" 1
144 1 10 PHE QE 1 26 ALA MB 1.800 . 7.150 3.387 2.887 3.663 . 0 0 "[ . 1]" 1
145 1 10 PHE HZ 1 12 ASP HB2 1.800 . 5.000 4.789 4.507 4.948 . 0 0 "[ . 1]" 1
146 1 10 PHE HZ 1 17 CYS HB2 1.800 . 5.000 3.880 3.151 4.416 . 0 0 "[ . 1]" 1
147 1 10 PHE HZ 1 17 CYS HB3 1.800 . 5.000 2.530 2.177 2.841 . 0 0 "[ . 1]" 1
148 1 10 PHE HZ 1 19 CYS HB2 1.800 . 5.000 4.894 4.672 5.020 0.020 1 0 "[ . 1]" 1
149 1 10 PHE HZ 1 26 ALA MB 1.800 . 3.500 2.720 2.029 2.977 . 0 0 "[ . 1]" 1
150 1 11 LYS H 1 11 LYS HB2 1.800 . 3.500 2.257 2.053 2.567 . 0 0 "[ . 1]" 1
151 1 11 LYS H 1 11 LYS HB3 1.800 . 3.500 3.315 3.000 3.549 0.049 6 0 "[ . 1]" 1
152 1 11 LYS H 1 11 LYS HG2 1.800 . 5.000 4.198 2.185 4.838 . 0 0 "[ . 1]" 1
153 1 11 LYS H 1 11 LYS HG3 1.800 . 5.000 3.707 3.060 4.404 . 0 0 "[ . 1]" 1
154 1 11 LYS H 1 12 ASP H 1.800 . 5.000 4.431 4.191 4.624 . 0 0 "[ . 1]" 1
155 1 11 LYS HA 1 11 LYS QD 1.800 . 5.000 3.508 1.871 3.991 . 0 0 "[ . 1]" 1
156 1 11 LYS HA 1 12 ASP H 1.800 . 3.500 2.255 2.210 2.384 . 0 0 "[ . 1]" 1
157 1 11 LYS HA 1 16 THR MG 1.800 . 5.000 3.736 3.535 3.960 . 0 0 "[ . 1]" 1
158 1 11 LYS HA 1 17 CYS H 1.800 . 5.000 3.677 3.086 4.082 . 0 0 "[ . 1]" 1
159 1 11 LYS HB2 1 12 ASP H 1.800 . 5.000 4.444 4.099 4.633 . 0 0 "[ . 1]" 1
160 1 11 LYS HB3 1 12 ASP H 1.800 . 5.000 3.591 3.031 4.044 . 0 0 "[ . 1]" 1
161 1 11 LYS HB3 1 12 ASP HA 1.800 . 5.000 4.390 4.080 4.598 . 0 0 "[ . 1]" 1
162 1 12 ASP H 1 12 ASP HB2 1.800 . 3.500 2.796 2.457 3.116 . 0 0 "[ . 1]" 1
163 1 12 ASP H 1 12 ASP HB3 1.800 . 3.500 2.884 2.546 3.088 . 0 0 "[ . 1]" 1
164 1 12 ASP H 1 13 LYS H 1.800 . 5.000 3.272 1.987 4.482 . 0 0 "[ . 1]" 1
165 1 12 ASP H 1 13 LYS HG2 1.800 . 5.000 4.798 3.802 5.151 0.151 7 0 "[ . 1]" 1
166 1 12 ASP H 1 13 LYS HG3 1.800 . 5.000 4.476 4.031 5.005 0.005 8 0 "[ . 1]" 1
167 1 12 ASP HA 1 13 LYS H 1.800 . 3.500 2.963 2.224 3.578 0.078 8 0 "[ . 1]" 1
168 1 12 ASP HA 1 13 LYS HA 1.800 . 5.000 4.565 4.468 4.654 . 0 0 "[ . 1]" 1
169 1 12 ASP HA 1 13 LYS HG2 1.800 . 5.000 4.098 3.644 4.343 . 0 0 "[ . 1]" 1
170 1 12 ASP HA 1 13 LYS HG3 1.800 . 5.000 4.546 3.969 5.008 0.008 4 0 "[ . 1]" 1
171 1 12 ASP HB2 1 13 LYS H 1.800 . 5.000 3.893 3.271 4.416 . 0 0 "[ . 1]" 1
172 1 12 ASP HB3 1 13 LYS H 1.800 . 5.000 2.924 2.149 4.126 . 0 0 "[ . 1]" 1
173 1 12 ASP HB3 1 15 ASN H 1.800 . 5.000 4.800 3.688 5.050 0.050 3 0 "[ . 1]" 1
174 1 13 LYS H 1 13 LYS HG2 1.800 . 5.000 3.019 2.138 3.439 . 0 0 "[ . 1]" 1
175 1 13 LYS H 1 13 LYS HG3 1.800 . 5.000 3.226 2.636 4.013 . 0 0 "[ . 1]" 1
176 1 13 LYS H 1 14 CYS H 1.800 . 5.000 4.244 3.545 4.713 . 0 0 "[ . 1]" 1
177 1 13 LYS HA 1 13 LYS HG3 1.800 . 3.500 3.581 3.411 3.739 0.239 7 0 "[ . 1]" 1
178 1 13 LYS HA 1 14 CYS H 1.800 . 5.000 3.173 3.003 3.425 . 0 0 "[ . 1]" 1
179 1 13 LYS HA 1 15 ASN H 1.800 . 5.000 4.382 4.222 4.790 . 0 0 "[ . 1]" 1
180 1 13 LYS HB2 1 14 CYS H 1.800 . 3.500 2.068 1.895 2.309 . 0 0 "[ . 1]" 1
181 1 13 LYS HB2 1 15 ASN H 1.800 . 5.000 3.238 2.403 4.347 . 0 0 "[ . 1]" 1
182 1 13 LYS HB3 1 14 CYS H 1.800 . 3.500 2.500 1.903 3.471 . 0 0 "[ . 1]" 1
183 1 13 LYS HB3 1 15 ASN H 1.800 . 5.000 4.332 3.826 5.061 0.061 2 0 "[ . 1]" 1
184 1 13 LYS HG2 1 14 CYS H 1.800 . 5.000 4.122 3.359 4.451 . 0 0 "[ . 1]" 1
185 1 13 LYS HG3 1 14 CYS H 1.800 . 5.000 3.624 1.865 4.420 . 0 0 "[ . 1]" 1
186 1 14 CYS H 1 15 ASN H 1.800 . 3.500 2.732 2.471 3.275 . 0 0 "[ . 1]" 1
187 1 14 CYS H 1 15 ASN HB2 1.800 . 5.000 4.087 3.689 4.469 . 0 0 "[ . 1]" 1
188 1 14 CYS H 1 33 CYS HA 1.800 . 5.000 4.730 3.987 5.047 0.047 3 0 "[ . 1]" 1
189 1 14 CYS H 1 33 CYS HB2 1.800 . 5.000 4.218 3.104 5.087 0.087 4 0 "[ . 1]" 1
190 1 14 CYS H 1 33 CYS HB3 1.800 . 5.000 4.112 3.309 4.790 . 0 0 "[ . 1]" 1
191 1 14 CYS HA 1 15 ASN H 1.800 . 5.000 3.167 2.910 3.391 . 0 0 "[ . 1]" 1
192 1 14 CYS HB2 1 15 ASN H 1.800 . 5.000 4.135 3.523 4.594 . 0 0 "[ . 1]" 1
193 1 14 CYS HB2 1 33 CYS HA 1.800 . 5.000 3.031 1.844 3.982 . 0 0 "[ . 1]" 1
194 1 14 CYS HB2 1 33 CYS HB3 1.800 . 5.000 3.824 2.986 5.031 0.031 10 0 "[ . 1]" 1
195 1 14 CYS HB2 1 34 PRO HD2 1.800 . 5.000 3.847 2.295 4.872 . 0 0 "[ . 1]" 1
196 1 14 CYS HB3 1 15 ASN H 1.800 . 5.000 4.372 3.872 4.622 . 0 0 "[ . 1]" 1
197 1 14 CYS HB3 1 33 CYS HA 1.800 . 5.000 3.043 1.907 3.828 . 0 0 "[ . 1]" 1
198 1 14 CYS HB3 1 33 CYS HB3 1.800 . 5.000 3.769 1.862 5.189 0.189 3 0 "[ . 1]" 1
199 1 14 CYS HB3 1 34 PRO HD2 1.800 . 5.000 3.501 2.187 4.996 . 0 0 "[ . 1]" 1
200 1 15 ASN H 1 16 THR H 1.800 . 5.000 3.895 3.026 4.445 . 0 0 "[ . 1]" 1
201 1 15 ASN HA 1 16 THR H 1.800 . 3.500 2.985 2.538 3.511 0.011 10 0 "[ . 1]" 1
202 1 15 ASN HA 1 29 THR MG 1.800 . 5.000 4.001 3.457 4.206 . 0 0 "[ . 1]" 1
203 1 15 ASN HB2 1 16 THR H 1.800 . 3.500 3.048 2.162 3.548 0.048 7 0 "[ . 1]" 1
204 1 15 ASN HB2 1 29 THR H 1.800 . 5.000 4.529 3.836 5.016 0.016 4 0 "[ . 1]" 1
205 1 15 ASN HB2 1 30 LEU HA 1.800 . 5.000 3.642 2.378 4.328 . 0 0 "[ . 1]" 1
206 1 15 ASN HB3 1 16 THR H 1.800 . 3.500 2.045 1.847 2.348 . 0 0 "[ . 1]" 1
207 1 15 ASN HB3 1 29 THR H 1.800 . 5.000 3.431 2.569 3.968 . 0 0 "[ . 1]" 1
208 1 15 ASN HB3 1 30 LEU HA 1.800 . 5.000 4.175 2.962 4.997 . 0 0 "[ . 1]" 1
209 1 15 ASN HD21 1 31 LYS H 1.800 . 5.000 4.039 2.461 4.979 . 0 0 "[ . 1]" 1
210 1 15 ASN HD22 1 31 LYS H 1.800 . 5.000 3.589 2.081 4.454 . 0 0 "[ . 1]" 1
211 1 16 THR H 1 16 THR HB 1.800 . 3.500 2.493 2.105 2.997 . 0 0 "[ . 1]" 1
212 1 16 THR H 1 16 THR MG 1.800 . 5.000 3.599 3.374 3.769 . 0 0 "[ . 1]" 1
213 1 16 THR H 1 17 CYS H 1.800 . 5.000 4.463 4.372 4.585 . 0 0 "[ . 1]" 1
214 1 16 THR H 1 28 CYS HA 1.800 . 5.000 4.333 3.995 4.727 . 0 0 "[ . 1]" 1
215 1 16 THR H 1 29 THR H 1.800 . 5.000 3.433 2.855 3.992 . 0 0 "[ . 1]" 1
216 1 16 THR H 1 29 THR MG 1.800 . 5.000 2.398 1.843 3.092 . 0 0 "[ . 1]" 1
217 1 16 THR HA 1 16 THR MG 1.800 . 3.500 2.706 2.558 2.807 . 0 0 "[ . 1]" 1
218 1 16 THR HA 1 17 CYS H 1.800 . 3.500 2.426 2.164 2.544 . 0 0 "[ . 1]" 1
219 1 16 THR HA 1 17 CYS HB2 1.800 . 5.000 3.820 3.676 3.972 . 0 0 "[ . 1]" 1
220 1 16 THR HA 1 17 CYS HB3 1.800 . 5.000 5.111 5.028 5.258 0.258 3 0 "[ . 1]" 1
221 1 16 THR HB 1 17 CYS H 1.800 . 5.000 3.999 3.809 4.396 . 0 0 "[ . 1]" 1
222 1 16 THR HB 1 29 THR H 1.800 . 5.000 4.296 3.848 4.779 . 0 0 "[ . 1]" 1
223 1 16 THR HB 1 29 THR MG 1.800 . 5.000 2.779 1.970 3.682 . 0 0 "[ . 1]" 1
224 1 16 THR MG 1 29 THR H 1.800 . 5.000 3.935 3.866 4.027 . 0 0 "[ . 1]" 1
225 1 17 CYS H 1 18 ARG H 1.800 . 5.000 3.985 3.548 4.317 . 0 0 "[ . 1]" 1
226 1 17 CYS HA 1 18 ARG H 1.800 . 3.500 2.259 2.194 2.401 . 0 0 "[ . 1]" 1
227 1 17 CYS HA 1 18 ARG HB2 1.800 . 5.000 4.722 4.115 5.029 0.029 3 0 "[ . 1]" 1
228 1 17 CYS HA 1 26 ALA MB 1.800 . 5.000 3.597 3.026 4.046 . 0 0 "[ . 1]" 1
229 1 17 CYS HA 1 27 ALA H 1.800 . 5.000 3.941 3.604 4.301 . 0 0 "[ . 1]" 1
230 1 17 CYS HA 1 28 CYS H 1.800 . 5.000 2.829 2.013 4.242 . 0 0 "[ . 1]" 1
231 1 17 CYS HA 1 28 CYS HA 1.800 . 3.500 1.909 1.779 2.054 0.021 9 0 "[ . 1]" 1
232 1 17 CYS HA 1 28 CYS HB2 1.800 . 5.000 4.079 3.789 4.557 . 0 0 "[ . 1]" 1
233 1 17 CYS HA 1 28 CYS HB3 1.800 . 5.000 4.156 2.993 4.621 . 0 0 "[ . 1]" 1
234 1 17 CYS HA 1 29 THR H 1.800 . 5.000 3.602 3.350 4.014 . 0 0 "[ . 1]" 1
235 1 17 CYS HB2 1 18 ARG H 1.800 . 5.000 4.647 4.575 4.688 . 0 0 "[ . 1]" 1
236 1 17 CYS HB2 1 28 CYS HA 1.800 . 5.000 3.841 3.559 4.513 . 0 0 "[ . 1]" 1
237 1 17 CYS HB3 1 18 ARG H 1.800 . 5.000 4.117 3.979 4.282 . 0 0 "[ . 1]" 1
238 1 17 CYS HB3 1 26 ALA MB 1.800 . 3.500 2.636 2.008 2.897 . 0 0 "[ . 1]" 1
239 1 17 CYS HB3 1 27 ALA H 1.800 . 5.000 4.823 4.413 5.053 0.053 2 0 "[ . 1]" 1
240 1 17 CYS HB3 1 28 CYS HA 1.800 . 5.000 4.453 4.296 4.646 . 0 0 "[ . 1]" 1
241 1 18 ARG H 1 18 ARG HB2 1.800 . 3.500 2.555 1.937 2.852 . 0 0 "[ . 1]" 1
242 1 18 ARG H 1 18 ARG HB3 1.800 . 3.500 2.403 2.108 3.280 . 0 0 "[ . 1]" 1
243 1 18 ARG H 1 18 ARG QD 1.800 . 5.000 4.290 4.106 4.514 . 0 0 "[ . 1]" 1
244 1 18 ARG H 1 18 ARG HG2 1.800 . 5.000 4.316 3.408 4.546 . 0 0 "[ . 1]" 1
245 1 18 ARG H 1 18 ARG HG3 1.800 . 5.000 4.158 3.712 4.353 . 0 0 "[ . 1]" 1
246 1 18 ARG H 1 19 CYS H 1.800 . 5.000 4.528 4.407 4.649 . 0 0 "[ . 1]" 1
247 1 18 ARG H 1 26 ALA MB 1.800 . 5.000 3.896 3.809 4.013 . 0 0 "[ . 1]" 1
248 1 18 ARG H 1 27 ALA H 1.800 . 3.500 3.058 2.667 3.467 . 0 0 "[ . 1]" 1
249 1 18 ARG H 1 28 CYS HA 1.800 . 5.000 3.475 2.875 3.760 . 0 0 "[ . 1]" 1
250 1 18 ARG HA 1 19 CYS H 1.800 . 3.500 2.215 2.186 2.251 . 0 0 "[ . 1]" 1
251 1 18 ARG HA 1 19 CYS HB2 1.800 . 5.000 4.239 4.061 4.345 . 0 0 "[ . 1]" 1
252 1 18 ARG HA 1 19 CYS HB3 1.800 . 5.000 4.915 4.788 5.096 0.096 7 0 "[ . 1]" 1
253 1 18 ARG HB2 1 18 ARG QD 1.800 . 5.000 2.530 2.207 3.398 . 0 0 "[ . 1]" 1
254 1 18 ARG HB2 1 19 CYS H 1.800 . 5.000 4.328 4.064 4.577 . 0 0 "[ . 1]" 1
255 1 18 ARG HB2 1 27 ALA H 1.800 . 5.000 4.355 3.257 4.694 . 0 0 "[ . 1]" 1
256 1 18 ARG HB3 1 18 ARG QD 1.800 . 5.000 3.121 2.105 3.352 . 0 0 "[ . 1]" 1
257 1 18 ARG HB3 1 19 CYS H 1.800 . 5.000 4.272 3.381 4.547 . 0 0 "[ . 1]" 1
258 1 18 ARG HB3 1 27 ALA H 1.800 . 5.000 3.063 2.706 3.570 . 0 0 "[ . 1]" 1
259 1 18 ARG QD 1 19 CYS H 1.800 . 5.000 2.545 2.033 3.064 . 0 0 "[ . 1]" 1
260 1 18 ARG HG2 1 19 CYS H 1.800 . 5.000 4.583 3.882 4.982 . 0 0 "[ . 1]" 1
261 1 18 ARG HG3 1 19 CYS H 1.800 . 5.000 3.730 2.689 5.013 0.013 5 0 "[ . 1]" 1
262 1 19 CYS H 1 19 CYS HB2 1.800 . 3.500 2.154 1.920 2.368 . 0 0 "[ . 1]" 1
263 1 19 CYS H 1 19 CYS HB3 1.800 . 3.500 2.781 2.597 3.052 . 0 0 "[ . 1]" 1
264 1 19 CYS H 1 20 GLY H 1.800 . 5.000 4.509 4.405 4.635 . 0 0 "[ . 1]" 1
265 1 19 CYS HA 1 20 GLY H 1.800 . 3.500 2.215 2.208 2.227 . 0 0 "[ . 1]" 1
266 1 19 CYS HB2 1 20 GLY H 1.800 . 5.000 4.551 4.446 4.632 . 0 0 "[ . 1]" 1
267 1 19 CYS HB3 1 20 GLY H 1.800 . 5.000 4.125 3.933 4.288 . 0 0 "[ . 1]" 1
268 1 20 GLY H 1 21 SER H 1.800 . 5.000 4.626 4.424 4.697 . 0 0 "[ . 1]" 1
269 1 20 GLY H 1 23 GLY H 1.800 . 5.000 4.492 4.217 4.800 . 0 0 "[ . 1]" 1
270 1 20 GLY H 1 25 SER H 1.800 . 5.000 3.733 3.202 4.921 . 0 0 "[ . 1]" 1
271 1 20 GLY H 1 25 SER HA 1.800 . 5.000 4.661 4.414 4.889 . 0 0 "[ . 1]" 1
272 1 20 GLY H 1 26 ALA HA 1.800 . 3.500 2.335 1.869 2.951 . 0 0 "[ . 1]" 1
273 1 20 GLY H 1 26 ALA MB 1.800 . 5.000 3.446 2.971 3.960 . 0 0 "[ . 1]" 1
274 1 20 GLY H 1 27 ALA H 1.800 . 5.000 4.364 3.837 4.711 . 0 0 "[ . 1]" 1
275 1 20 GLY HA2 1 21 SER H 1.800 . 3.500 2.587 2.367 2.885 . 0 0 "[ . 1]" 1
276 1 20 GLY HA3 1 21 SER H 1.800 . 3.500 2.635 2.344 2.890 . 0 0 "[ . 1]" 1
277 1 20 GLY HA3 1 23 GLY H 1.800 . 5.000 3.960 3.668 4.365 . 0 0 "[ . 1]" 1
278 1 20 GLY HA3 1 25 SER H 1.800 . 5.000 4.407 3.786 4.839 . 0 0 "[ . 1]" 1
279 1 20 GLY HA3 1 26 ALA HA 1.800 . 5.000 3.998 3.568 4.526 . 0 0 "[ . 1]" 1
280 1 21 SER H 1 22 ASP H 1.800 . 5.000 2.466 2.223 2.640 . 0 0 "[ . 1]" 1
281 1 21 SER H 1 23 GLY H 1.800 . 5.000 4.184 3.768 4.744 . 0 0 "[ . 1]" 1
282 1 21 SER HA 1 22 ASP H 1.800 . 5.000 3.402 3.355 3.485 . 0 0 "[ . 1]" 1
283 1 21 SER HA 1 22 ASP HA 1.800 . 5.000 4.656 4.548 4.721 . 0 0 "[ . 1]" 1
284 1 21 SER HA 1 23 GLY H 1.800 . 5.000 3.766 3.493 4.276 . 0 0 "[ . 1]" 1
285 1 21 SER QB 1 22 ASP H 1.800 . 3.500 3.148 2.918 3.256 . 0 0 "[ . 1]" 1
286 1 22 ASP H 1 23 GLY H 1.800 . 5.000 2.385 2.284 2.693 . 0 0 "[ . 1]" 1
287 1 22 ASP H 1 23 GLY HA2 1.800 . 5.000 4.630 4.528 4.750 . 0 0 "[ . 1]" 1
288 1 22 ASP H 1 23 GLY HA3 1.800 . 5.000 5.022 4.945 5.092 0.092 5 0 "[ . 1]" 1
289 1 22 ASP HA 1 23 GLY H 1.800 . 5.000 3.246 2.849 3.363 . 0 0 "[ . 1]" 1
290 1 22 ASP HB2 1 23 GLY H 1.800 . 5.000 4.016 3.556 4.474 . 0 0 "[ . 1]" 1
291 1 22 ASP HB3 1 23 GLY H 1.800 . 5.000 3.953 3.464 4.658 . 0 0 "[ . 1]" 1
292 1 24 LYS H 1 24 LYS QE 1.800 . 5.000 3.986 3.114 4.515 . 0 0 "[ . 1]" 1
293 1 24 LYS H 1 24 LYS HG2 1.800 . 5.000 4.001 1.935 4.680 . 0 0 "[ . 1]" 1
294 1 24 LYS H 1 24 LYS HG3 1.800 . 5.000 3.684 2.859 4.871 . 0 0 "[ . 1]" 1
295 1 24 LYS H 1 25 SER H 1.800 . 3.500 2.945 1.887 3.499 . 0 0 "[ . 1]" 1
296 1 24 LYS HA 1 24 LYS HD2 1.800 . 5.000 3.536 1.880 4.589 . 0 0 "[ . 1]" 1
297 1 24 LYS HA 1 24 LYS HD3 1.800 . 5.000 3.928 2.180 4.767 . 0 0 "[ . 1]" 1
298 1 24 LYS HA 1 24 LYS QE 1.800 . 5.000 3.915 2.633 4.520 . 0 0 "[ . 1]" 1
299 1 24 LYS HA 1 25 SER H 1.800 . 5.000 3.012 2.707 3.488 . 0 0 "[ . 1]" 1
300 1 24 LYS HB2 1 25 SER H 1.800 . 5.000 4.017 2.420 4.523 . 0 0 "[ . 1]" 1
301 1 24 LYS HB3 1 25 SER H 1.800 . 5.000 4.029 1.851 4.536 . 0 0 "[ . 1]" 1
302 1 25 SER H 1 26 ALA H 1.800 . 5.000 4.173 3.610 4.504 . 0 0 "[ . 1]" 1
303 1 25 SER HA 1 26 ALA H 1.800 . 3.500 2.274 2.194 2.376 . 0 0 "[ . 1]" 1
304 1 25 SER HA 1 26 ALA MB 1.800 . 5.000 3.875 3.721 4.102 . 0 0 "[ . 1]" 1
305 1 25 SER HB2 1 26 ALA H 1.800 . 5.000 4.285 3.956 4.537 . 0 0 "[ . 1]" 1
306 1 25 SER HB2 1 26 ALA HA 1.800 . 5.000 4.918 4.583 5.003 0.003 10 0 "[ . 1]" 1
307 1 25 SER HB3 1 26 ALA H 1.800 . 5.000 3.364 2.838 3.992 . 0 0 "[ . 1]" 1
308 1 25 SER HB3 1 26 ALA HA 1.800 . 5.000 4.501 4.277 4.752 . 0 0 "[ . 1]" 1
309 1 26 ALA H 1 26 ALA MB 1.800 . 3.500 2.473 2.201 2.725 . 0 0 "[ . 1]" 1
310 1 26 ALA H 1 27 ALA H 1.800 . 5.000 4.411 4.276 4.549 . 0 0 "[ . 1]" 1
311 1 26 ALA H 1 27 ALA HA 1.800 . 5.000 4.847 4.643 5.054 0.054 10 0 "[ . 1]" 1
312 1 26 ALA HA 1 27 ALA H 1.800 . 3.500 2.380 2.216 2.664 . 0 0 "[ . 1]" 1
313 1 27 ALA H 1 27 ALA MB 1.800 . 3.500 2.140 2.003 2.368 . 0 0 "[ . 1]" 1
314 1 27 ALA H 1 28 CYS H 1.800 . 5.000 2.977 2.119 4.429 . 0 0 "[ . 1]" 1
315 1 27 ALA HA 1 28 CYS H 1.800 . 3.500 3.162 2.232 3.562 0.062 3 0 "[ . 1]" 1
316 1 27 ALA MB 1 28 CYS H 1.800 . 5.000 2.627 1.930 3.492 . 0 0 "[ . 1]" 1
317 1 27 ALA MB 1 28 CYS HA 1.800 . 5.000 4.097 3.919 4.242 . 0 0 "[ . 1]" 1
318 1 28 CYS HA 1 29 THR H 1.800 . 3.500 2.237 2.179 2.310 . 0 0 "[ . 1]" 1
319 1 28 CYS HB2 1 29 THR H 1.800 . 5.000 4.490 3.956 4.662 . 0 0 "[ . 1]" 1
320 1 28 CYS HB2 1 30 LEU MD1 1.800 . 5.000 3.424 2.530 3.989 . 0 0 "[ . 1]" 1
321 1 28 CYS HB2 1 30 LEU MD2 1.800 . 5.000 3.574 1.952 4.122 . 0 0 "[ . 1]" 1
322 1 28 CYS HB3 1 29 THR H 1.800 . 5.000 3.737 3.207 4.101 . 0 0 "[ . 1]" 1
323 1 28 CYS HB3 1 30 LEU MD1 1.800 . 5.000 3.125 2.401 4.048 . 0 0 "[ . 1]" 1
324 1 28 CYS HB3 1 30 LEU MD2 1.800 . 5.000 2.726 1.828 3.953 . 0 0 "[ . 1]" 1
325 1 29 THR H 1 29 THR MG 1.800 . 3.500 1.963 1.722 2.338 0.078 2 0 "[ . 1]" 1
326 1 29 THR HA 1 29 THR MG 1.800 . 5.000 2.901 2.417 3.195 . 0 0 "[ . 1]" 1
327 1 29 THR HA 1 30 LEU H 1.800 . 5.000 3.032 2.261 3.564 . 0 0 "[ . 1]" 1
328 1 30 LEU H 1 30 LEU MD1 1.800 . 5.000 3.441 2.025 4.266 . 0 0 "[ . 1]" 1
329 1 30 LEU H 1 30 LEU MD2 1.800 . 5.000 3.124 1.713 4.040 0.087 8 0 "[ . 1]" 1
330 1 30 LEU H 1 30 LEU HG 1.800 . 3.500 2.560 1.945 3.605 0.105 8 0 "[ . 1]" 1
331 1 30 LEU H 1 31 LYS QE 1.800 . 5.000 4.272 3.945 4.578 . 0 0 "[ . 1]" 1
332 1 30 LEU HA 1 30 LEU MD1 1.800 . 5.000 3.873 3.708 4.104 . 0 0 "[ . 1]" 1
333 1 30 LEU HA 1 30 LEU MD2 1.800 . 5.000 2.774 1.844 3.457 . 0 0 "[ . 1]" 1
334 1 30 LEU HA 1 31 LYS H 1.800 . 3.500 2.399 2.193 3.062 . 0 0 "[ . 1]" 1
335 1 30 LEU HB2 1 30 LEU MD1 1.800 . 3.500 2.127 2.007 2.445 . 0 0 "[ . 1]" 1
336 1 30 LEU HB2 1 30 LEU MD2 1.800 . 5.000 3.092 2.873 3.215 . 0 0 "[ . 1]" 1
337 1 30 LEU HB3 1 30 LEU MD1 1.800 . 5.000 2.628 2.256 2.957 . 0 0 "[ . 1]" 1
338 1 30 LEU HB3 1 30 LEU MD2 1.800 . 3.500 2.149 1.878 2.458 . 0 0 "[ . 1]" 1
339 1 31 LYS H 1 31 LYS HB2 1.800 . 3.500 2.642 2.310 3.528 0.028 9 0 "[ . 1]" 1
340 1 31 LYS H 1 31 LYS HB3 1.800 . 3.500 3.210 2.823 3.569 0.069 2 0 "[ . 1]" 1
341 1 31 LYS HA 1 32 ALA H 1.800 . 5.000 3.145 2.523 3.584 . 0 0 "[ . 1]" 1
342 1 32 ALA H 1 32 ALA MB 1.800 . 3.500 2.728 2.121 2.971 . 0 0 "[ . 1]" 1
343 1 32 ALA HA 1 33 CYS H 1.800 . 3.500 2.731 2.288 3.572 0.072 10 0 "[ . 1]" 1
344 1 32 ALA HA 1 33 CYS HB2 1.800 . 5.000 4.381 4.222 4.704 . 0 0 "[ . 1]" 1
345 1 32 ALA MB 1 33 CYS H 1.800 . 3.500 2.562 1.851 2.963 . 0 0 "[ . 1]" 1
346 1 32 ALA MB 1 33 CYS HA 1.800 . 5.000 3.934 3.746 4.105 . 0 0 "[ . 1]" 1
347 1 33 CYS H 1 34 PRO HD2 1.800 . 5.000 4.547 3.894 4.901 . 0 0 "[ . 1]" 1
348 1 33 CYS H 1 34 PRO HD3 1.800 . 5.000 4.020 3.124 4.960 . 0 0 "[ . 1]" 1
349 1 33 CYS HA 1 34 PRO HD2 1.800 . 3.500 2.217 2.003 2.651 . 0 0 "[ . 1]" 1
350 1 33 CYS HA 1 34 PRO HD3 1.800 . 3.500 2.322 2.143 2.550 . 0 0 "[ . 1]" 1
351 1 33 CYS HA 1 34 PRO QG 1.800 . 5.000 3.895 3.821 4.068 . 0 0 "[ . 1]" 1
352 1 33 CYS HB2 1 34 PRO HD2 1.800 . 5.000 4.177 3.507 4.839 . 0 0 "[ . 1]" 1
353 1 33 CYS HB2 1 34 PRO HD3 1.800 . 5.000 4.787 4.518 4.997 . 0 0 "[ . 1]" 1
354 1 33 CYS HB3 1 34 PRO HD2 1.800 . 5.000 3.438 1.912 4.789 . 0 0 "[ . 1]" 1
355 1 33 CYS HB3 1 34 PRO HD3 1.800 . 5.000 4.303 3.297 5.012 0.012 1 0 "[ . 1]" 1
356 1 33 CYS HB3 1 35 GLN H 1.800 . 5.000 4.067 3.145 4.813 . 0 0 "[ . 1]" 1
357 1 34 PRO HA 1 34 PRO HD2 1.800 . 5.000 4.090 4.082 4.094 . 0 0 "[ . 1]" 1
358 1 34 PRO HA 1 34 PRO HD3 1.800 . 5.000 3.676 3.635 3.735 . 0 0 "[ . 1]" 1
359 1 34 PRO HA 1 35 GLN H 1.800 . 3.500 3.328 2.675 3.560 0.060 2 0 "[ . 1]" 1
360 1 34 PRO HB2 1 35 GLN H 1.800 . 5.000 3.377 1.898 4.368 . 0 0 "[ . 1]" 1
361 1 34 PRO HB3 1 35 GLN H 1.800 . 5.000 4.174 3.381 4.701 . 0 0 "[ . 1]" 1
362 1 34 PRO HD2 1 35 GLN H 1.800 . 5.000 3.094 2.447 4.264 . 0 0 "[ . 1]" 1
363 1 34 PRO HD3 1 35 GLN H 1.800 . 5.000 4.098 3.724 4.819 . 0 0 "[ . 1]" 1
364 1 34 PRO QG 1 35 GLN H 1.800 . 5.000 2.882 1.853 4.474 . 0 0 "[ . 1]" 1
365 1 35 GLN H 1 35 GLN QG 1.800 . 5.000 3.156 1.859 4.289 . 0 0 "[ . 1]" 1
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