NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433292 |
2ju4   |
15430 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ju4
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 231
_Distance_constraint_stats_list.Viol_count 644
_Distance_constraint_stats_list.Viol_total 3272.133
_Distance_constraint_stats_list.Viol_max 0.305
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0508
_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 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 7 LYS 1.739 0.140 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 8 ALA 1.613 0.140 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 11 ARG 0.219 0.155 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 12 SER 0.284 0.082 79 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 13 ALA 0.307 0.082 79 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 14 THR 0.758 0.073 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 15 ARG 1.560 0.263 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 16 VAL 0.880 0.263 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 17 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 24 ARG 0.250 0.042 99 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 25 LYS 1.425 0.258 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 26 GLY 2.536 0.209 76 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 27 PRO 2.457 0.209 76 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 31 LYS 2.427 0.162 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 32 GLN 2.053 0.162 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 33 ARG 2.384 0.126 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 34 GLN 1.478 0.107 74 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 35 THR 1.292 0.149 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 36 ARG 1.009 0.149 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 37 GLN 1.262 0.099 80 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 39 LYS 1.123 0.106 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 40 SER 0.965 0.106 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 41 LYS 0.555 0.112 73 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 44 LYS 0.477 0.097 89 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 45 LYS 0.551 0.097 89 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 54 ILE 0.461 0.169 71 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 55 PRO 0.307 0.048 83 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 56 GLY 0.077 0.038 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 57 MET 0.769 0.169 71 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 58 GLU 0.483 0.150 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 59 GLY 0.406 0.150 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 61 GLY 0.747 0.140 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 62 THR 2.373 0.148 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 63 ASP 1.271 0.140 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 64 ILE 7.146 0.258 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 65 THR 3.513 0.305 93 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 67 ILE 8.666 0.305 93 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 70 TRP 0.202 0.152 81 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 71 GLU 0.149 0.081 90 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 72 ALA 0.351 0.152 81 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 75 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 77 GLU 0.014 0.014 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 78 LEU 0.014 0.014 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 80 GLU 0.067 0.065 100 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 81 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 82 ALA 1.562 0.165 78 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 83 GLN 0.055 0.055 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 84 TYR 0.768 0.108 84 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 85 GLY 0.231 0.074 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
1 86 ILE 2.044 0.165 78 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]"
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 MET HA 1 2 ASN H 0.000 . 5.590 2.976 2.188 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
2 1 2 ASN HA 1 3 LEU H 0.000 . 4.780 2.900 2.178 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
3 1 3 LEU HA 1 4 GLU H 0.000 . 4.100 2.721 2.187 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
4 1 6 PRO HA 1 7 LYS H 0.000 . 3.760 2.309 2.195 2.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
5 1 6 PRO HB3 1 7 LYS H 0.000 . 5.580 3.799 2.929 4.117 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
6 1 7 LYS H 1 7 LYS HE3 0.000 . 5.090 4.537 1.912 5.128 0.038 34 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
7 1 7 LYS H 1 7 LYS HG3 0.000 . 5.540 3.240 1.804 5.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
8 1 7 LYS HA 1 8 ALA H 0.000 . 3.410 2.892 2.189 3.550 0.140 8 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
9 1 7 LYS HB3 1 8 ALA H 0.000 . 5.800 3.502 1.692 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
10 1 7 LYS HG3 1 8 ALA H 0.000 . 5.800 4.098 1.766 5.909 0.109 73 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
11 1 8 ALA HA 1 9 GLU H 0.000 . 3.600 2.876 2.182 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
12 1 8 ALA MB 1 9 GLU H 0.000 . 5.790 2.844 1.705 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
13 1 11 ARG H 1 11 ARG HG3 0.000 . 5.410 3.926 1.612 5.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
14 1 11 ARG HA 1 11 ARG HG3 0.000 . 4.080 3.018 2.165 4.235 0.155 63 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
15 1 11 ARG HA 1 12 SER H 0.000 . 3.630 2.858 2.188 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
16 1 11 ARG HG3 1 12 SER H 0.000 . 5.800 4.303 1.738 5.821 0.021 87 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
17 1 12 SER HB2 1 13 ALA H 0.000 . 5.800 3.418 1.792 4.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
18 1 12 SER HB3 1 13 ALA H 0.000 . 3.940 3.188 1.804 4.022 0.082 79 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
19 1 13 ALA H 1 14 THR H 0.000 . 5.260 3.311 1.594 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
20 1 13 ALA H 1 14 THR HA 0.000 . 5.800 5.058 3.930 5.870 0.070 79 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
21 1 13 ALA HA 1 14 THR H 0.000 . 3.870 2.900 2.190 3.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
22 1 13 ALA MB 1 14 THR H 0.000 . 5.330 2.891 1.701 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
23 1 14 THR H 1 15 ARG H 0.000 . 5.070 3.054 1.478 4.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
24 1 14 THR H 1 15 ARG HA 0.000 . 5.250 4.793 3.802 5.323 0.073 3 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
25 1 14 THR HA 1 15 ARG H 0.000 . 3.890 2.968 2.189 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
26 1 14 THR HA 1 15 ARG HB3 0.000 . 5.800 5.203 4.294 5.869 0.069 88 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
27 1 14 THR HB 1 15 ARG H 0.000 . 5.800 3.617 1.716 4.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
28 1 14 THR MG 1 15 ARG H 0.000 . 5.800 3.582 1.770 4.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
29 1 15 ARG HA 1 16 VAL H 0.000 . 3.910 2.792 2.186 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
30 1 15 ARG HA 1 16 VAL HB 0.000 . 5.800 5.172 4.280 6.063 0.263 48 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
31 1 16 VAL HA 1 17 MET H 0.000 . 3.820 2.896 2.179 3.598 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
32 1 16 VAL HB 1 17 MET H 0.000 . 5.050 3.499 1.716 4.686 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
33 1 16 VAL MG2 1 17 MET H 0.000 . 5.530 3.347 1.540 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
34 1 17 MET HA 1 18 GLY H 0.000 . 4.040 2.899 2.197 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
35 1 17 MET HB2 1 18 GLY H 0.000 . 5.800 3.666 1.779 4.693 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
36 1 18 GLY HA3 1 19 GLY H 0.000 . 4.060 2.857 2.180 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
37 1 23 PRO HB2 1 24 ARG H 0.000 . 5.800 3.317 1.613 4.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
38 1 24 ARG H 1 24 ARG HG3 0.000 . 5.580 3.710 1.586 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
39 1 24 ARG HA 1 25 LYS H 0.000 . 3.530 2.781 2.183 3.572 0.042 99 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
40 1 25 LYS H 1 25 LYS HD3 0.000 . 4.210 3.418 1.719 4.468 0.258 57 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
41 1 25 LYS H 1 25 LYS HG3 0.000 . 5.610 3.447 1.746 5.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
42 1 25 LYS HA 1 26 GLY H 0.000 . 3.590 2.965 2.164 3.590 0.000 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
43 1 25 LYS HB2 1 26 GLY H 0.000 . 4.960 3.233 1.759 4.704 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
44 1 25 LYS HD3 1 26 GLY H 0.000 . 5.800 4.628 1.929 5.840 0.040 100 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
45 1 26 GLY HA3 1 27 PRO HD3 0.000 . 3.490 2.908 2.186 3.699 0.209 76 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
46 1 28 PRO HA 1 29 LYS H 0.000 . 3.880 2.303 2.189 2.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
47 1 31 LYS H 1 31 LYS HD2 0.000 . 4.470 3.956 1.710 4.614 0.144 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
48 1 31 LYS H 1 31 LYS HG3 0.000 . 5.320 3.365 1.583 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
49 1 31 LYS HA 1 32 GLN H 0.000 . 3.370 2.856 2.181 3.532 0.162 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
50 1 32 GLN H 1 32 GLN HG3 0.000 . 5.340 3.803 1.768 5.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
51 1 32 GLN HA 1 33 ARG H 0.000 . 3.410 2.753 2.182 3.536 0.126 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
52 1 32 GLN HB3 1 33 ARG H 0.000 . 5.530 3.593 1.682 4.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
53 1 32 GLN HG3 1 33 ARG H 0.000 . 5.800 4.374 1.755 5.822 0.022 33 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
54 1 33 ARG H 1 33 ARG HG3 0.000 . 4.540 3.613 1.956 4.642 0.102 49 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
55 1 33 ARG HA 1 34 GLN H 0.000 . 3.450 2.824 2.165 3.557 0.107 74 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
56 1 33 ARG HB2 1 34 GLN H 0.000 . 4.530 3.729 1.705 4.612 0.082 31 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
57 1 34 GLN HA 1 35 THR H 0.000 . 3.500 2.843 2.178 3.569 0.069 93 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
58 1 34 GLN HG2 1 35 THR H 0.000 . 5.800 4.321 1.758 5.830 0.030 94 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
59 1 35 THR H 1 36 ARG H 0.000 . 4.500 3.103 1.477 4.649 0.149 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
60 1 35 THR H 1 37 GLN H 0.000 . 5.250 4.560 2.516 5.337 0.087 73 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
61 1 35 THR HA 1 36 ARG H 0.000 . 3.680 3.062 2.191 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
62 1 35 THR HB 1 37 GLN H 0.000 . 5.800 4.462 2.505 5.857 0.057 65 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
63 1 35 THR MG 1 36 ARG H 0.000 . 5.510 3.454 1.699 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
64 1 36 ARG H 1 36 ARG HD3 0.000 . 5.800 4.653 1.762 5.861 0.061 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
65 1 36 ARG HA 1 36 ARG HG3 0.000 . 3.980 3.048 2.265 3.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
66 1 36 ARG HA 1 37 GLN H 0.000 . 3.490 3.024 2.191 3.560 0.070 52 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
67 1 36 ARG HB3 1 37 GLN H 0.000 . 5.470 4.097 2.379 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
68 1 36 ARG HG3 1 37 GLN H 0.000 . 5.750 4.649 1.823 5.849 0.099 80 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
69 1 39 LYS H 1 39 LYS HE3 0.000 . 5.720 5.060 2.161 5.756 0.036 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
70 1 39 LYS H 1 39 LYS HG3 0.000 . 5.280 3.564 1.742 5.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
71 1 39 LYS H 1 40 SER H 0.000 . 4.550 3.423 1.485 4.656 0.106 50 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
72 1 39 LYS HA 1 40 SER H 0.000 . 3.800 2.946 2.182 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
73 1 39 LYS HD2 1 40 SER H 0.000 . 5.800 4.849 1.846 5.858 0.058 23 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
74 1 39 LYS HG3 1 40 SER H 0.000 . 5.800 4.124 1.773 5.877 0.077 97 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
75 1 40 SER HA 1 41 LYS H 0.000 . 3.670 3.053 2.186 3.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
76 1 40 SER HB3 1 41 LYS H 0.000 . 4.920 3.540 1.807 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
77 1 41 LYS H 1 41 LYS HD2 0.000 . 4.470 3.817 1.561 4.582 0.112 73 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
78 1 41 LYS H 1 41 LYS HG3 0.000 . 5.650 3.034 1.525 5.076 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
79 1 43 PRO HA 1 44 LYS H 0.000 . 3.560 2.287 2.181 2.451 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
80 1 43 PRO HB3 1 44 LYS H 0.000 . 5.800 3.843 2.855 4.223 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
81 1 44 LYS HB3 1 45 LYS H 0.000 . 4.230 3.027 1.679 4.327 0.097 89 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
82 1 45 LYS H 1 45 LYS HG3 0.000 . 5.150 3.825 1.532 5.197 0.047 30 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
83 1 45 LYS HA 1 46 GLY H 0.000 . 3.680 2.860 2.184 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
84 1 45 LYS HB3 1 46 GLY H 0.000 . 5.380 3.523 1.697 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
85 1 45 LYS HG3 1 46 GLY H 0.000 . 5.800 4.122 1.716 5.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
86 1 46 GLY H 1 47 VAL H 0.000 . 5.630 3.697 1.655 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
87 1 46 GLY HA3 1 47 VAL H 0.000 . 4.720 2.986 2.187 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
88 1 47 VAL H 1 47 VAL MG2 0.000 . 4.350 2.414 1.714 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
89 1 47 VAL H 1 48 GLN H 0.000 . 5.490 3.415 1.562 4.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
90 1 47 VAL HA 1 48 GLN H 0.000 . 4.040 2.955 2.182 3.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
91 1 47 VAL HB 1 48 GLN H 0.000 . 4.720 3.384 1.702 4.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
92 1 47 VAL MG2 1 48 GLN H 0.000 . 5.050 3.424 1.694 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
93 1 48 GLN H 1 48 GLN HG2 0.000 . 5.370 3.840 1.729 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
94 1 48 GLN HA 1 49 GLY H 0.000 . 4.280 2.940 2.183 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
95 1 51 GLY HA3 1 52 ASP H 0.000 . 4.130 3.012 2.176 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
96 1 52 ASP HA 1 53 ASP H 0.000 . 4.040 3.009 2.191 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
97 1 52 ASP HB2 1 53 ASP H 0.000 . 4.950 3.790 1.743 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
98 1 52 ASP HB3 1 53 ASP H 0.000 . 4.870 3.639 1.780 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
99 1 53 ASP H 1 54 ILE H 0.000 . 5.140 3.307 1.485 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
100 1 53 ASP HA 1 54 ILE H 0.000 . 4.230 3.051 2.199 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
101 1 53 ASP HB2 1 54 ILE H 0.000 . 5.800 3.381 1.781 4.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
102 1 53 ASP HB3 1 54 ILE H 0.000 . 5.800 3.343 1.783 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
103 1 54 ILE H 1 54 ILE HG12 0.000 . 5.150 3.399 1.714 5.052 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
104 1 54 ILE H 1 54 ILE HG13 0.000 . 5.180 3.154 1.532 5.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
105 1 54 ILE H 1 55 PRO HD3 0.000 . 5.800 3.970 2.869 4.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
106 1 54 ILE HB 1 55 PRO HD2 0.000 . 5.800 4.354 2.291 5.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
107 1 54 ILE HB 1 55 PRO HD3 0.000 . 5.800 4.705 3.680 5.145 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
108 1 54 ILE HB 1 57 MET H 0.000 . 5.800 4.760 2.747 5.969 0.169 71 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
109 1 54 ILE MG 1 57 MET H 0.000 . 5.800 3.686 1.608 4.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
110 1 55 PRO HA 1 57 MET H 0.000 . 5.800 4.561 2.970 5.848 0.048 83 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
111 1 55 PRO HB2 1 56 GLY H 0.000 . 5.360 3.538 1.757 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
112 1 55 PRO HB3 1 56 GLY H 0.000 . 5.800 4.178 2.975 4.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
113 1 56 GLY H 1 57 MET H 0.000 . 4.700 2.762 1.480 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
114 1 56 GLY HA3 1 57 MET H 0.000 . 4.870 3.196 2.196 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
115 1 56 GLY HA3 1 58 GLU H 0.000 . 5.800 4.319 2.883 5.838 0.038 22 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
116 1 57 MET H 1 57 MET HG3 0.000 . 5.660 3.858 1.563 5.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
117 1 57 MET H 1 58 GLU H 0.000 . 5.070 3.053 1.564 4.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
118 1 57 MET HA 1 58 GLU H 0.000 . 4.410 3.084 2.198 3.590 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
119 1 58 GLU H 1 58 GLU HG3 0.000 . 5.300 4.047 1.786 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
120 1 58 GLU H 1 59 GLY H 0.000 . 4.480 3.009 1.491 4.630 0.150 32 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
121 1 58 GLU HA 1 59 GLY H 0.000 . 4.200 2.973 2.185 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
122 1 58 GLU HB2 1 59 GLY H 0.000 . 5.730 3.680 1.709 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
123 1 58 GLU HB3 1 59 GLY H 0.000 . 5.530 3.524 1.718 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
124 1 58 GLU HG3 1 59 GLY H 0.000 . 5.800 4.216 1.793 5.811 0.011 27 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
125 1 61 GLY H 1 62 THR H 0.000 . 4.950 2.879 1.441 4.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
126 1 61 GLY H 1 62 THR MG 0.000 . 5.800 4.057 2.509 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
127 1 61 GLY HA3 1 62 THR H 0.000 . 3.910 2.985 2.177 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
128 1 61 GLY HA3 1 63 ASP H 0.000 . 5.800 4.669 2.900 5.940 0.140 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
129 1 62 THR H 1 62 THR MG 0.000 . 4.760 2.494 1.634 3.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
130 1 62 THR H 1 63 ASP H 0.000 . 4.460 3.152 1.534 4.588 0.128 67 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
131 1 62 THR HA 1 63 ASP H 0.000 . 4.300 2.953 2.162 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
132 1 62 THR HA 1 64 ILE H 0.000 . 5.430 3.641 2.865 5.471 0.041 98 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
133 1 62 THR HA 1 65 THR H 0.000 . 4.680 4.032 2.564 4.828 0.148 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
134 1 62 THR HB 1 65 THR H 0.000 . 5.800 4.709 1.934 5.928 0.128 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
135 1 62 THR MG 1 63 ASP H 0.000 . 5.800 3.636 1.701 4.452 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
136 1 62 THR MG 1 64 ILE H 0.000 . 5.800 4.448 2.527 4.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
137 1 63 ASP H 1 64 ILE H 0.000 . 4.720 3.030 2.547 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
138 1 63 ASP HA 1 64 ILE H 0.000 . 4.180 3.144 2.215 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
139 1 63 ASP HB2 1 64 ILE H 0.000 . 5.800 4.011 2.156 4.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
140 1 63 ASP HB3 1 64 ILE H 0.000 . 5.800 4.031 2.268 4.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
141 1 64 ILE H 1 64 ILE HG12 0.000 . 5.210 4.125 2.042 5.222 0.012 83 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
142 1 64 ILE H 1 64 ILE HG13 0.000 . 4.820 3.919 2.006 4.861 0.041 18 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
143 1 64 ILE H 1 65 THR H 0.000 . 4.610 2.447 1.395 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
144 1 64 ILE HA 1 65 THR H 0.000 . 3.930 3.251 2.251 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
145 1 64 ILE HB 1 65 THR H 0.000 . 5.550 3.576 1.638 4.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
146 1 64 ILE HB 1 67 ILE H 0.000 . 5.800 5.550 3.031 6.058 0.258 60 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
147 1 64 ILE HG12 1 65 THR H 0.000 . 5.800 4.528 1.808 5.831 0.031 72 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
148 1 64 ILE MG 1 65 THR H 0.000 . 5.100 3.060 1.394 4.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
149 1 64 ILE MG 1 65 THR HA 0.000 . 5.410 4.015 3.050 4.539 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
150 1 65 THR H 1 66 VAL H 0.000 . 5.110 2.886 1.362 4.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
151 1 65 THR H 1 66 VAL MG2 0.000 . 5.800 4.288 2.732 4.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
152 1 65 THR HA 1 66 VAL H 0.000 . 4.210 3.217 2.398 3.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
153 1 65 THR HB 1 67 ILE H 0.000 . 5.160 4.492 3.013 5.465 0.305 93 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
154 1 65 THR MG 1 66 VAL H 0.000 . 4.890 3.655 1.690 4.174 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
155 1 66 VAL H 1 66 VAL MG2 0.000 . 4.530 2.363 1.623 3.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
156 1 66 VAL H 1 67 ILE H 0.000 . 5.130 2.840 1.476 4.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
157 1 66 VAL HA 1 67 ILE H 0.000 . 3.890 3.548 3.339 3.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
158 1 66 VAL HB 1 67 ILE H 0.000 . 5.800 2.656 1.720 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
159 1 66 VAL MG2 1 67 ILE H 0.000 . 5.220 3.000 1.518 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
160 1 67 ILE H 1 67 ILE MD 0.000 . 5.800 3.859 2.082 4.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
161 1 67 ILE H 1 67 ILE HG12 0.000 . 5.520 4.035 2.878 4.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
162 1 67 ILE H 1 67 ILE HG13 0.000 . 5.300 3.391 2.561 4.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
163 1 67 ILE HA 1 67 ILE MD 0.000 . 4.600 3.422 2.024 3.867 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
164 1 67 ILE MG 1 71 GLU H 0.000 . 5.800 4.517 3.512 4.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
165 1 67 ILE MG 1 72 ALA H 0.000 . 5.800 3.989 2.596 4.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
166 1 69 PRO HA 1 70 TRP H 0.000 . 4.500 3.513 3.227 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
167 1 69 PRO HA 1 71 GLU H 0.000 . 5.800 3.600 3.047 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
168 1 69 PRO HA 1 72 ALA H 0.000 . 5.800 3.702 2.644 5.169 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
169 1 69 PRO HA 1 72 ALA MB 0.000 . 5.440 3.326 2.087 4.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
170 1 69 PRO HB2 1 70 TRP H 0.000 . 5.710 3.021 1.786 4.075 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
171 1 69 PRO HB3 1 70 TRP H 0.000 . 5.800 4.144 3.299 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
172 1 69 PRO HD2 1 70 TRP H 0.000 . 5.800 3.305 2.560 3.953 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
173 1 69 PRO HD3 1 70 TRP H 0.000 . 5.800 4.271 3.821 4.727 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
174 1 69 PRO HG2 1 70 TRP H 0.000 . 5.800 3.743 2.096 4.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
175 1 70 TRP H 1 70 TRP HE3 0.000 . 5.800 4.104 1.612 5.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
176 1 70 TRP H 1 71 GLU H 0.000 . 5.080 2.767 2.378 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
177 1 70 TRP HA 1 71 GLU H 0.000 . 4.540 3.247 2.608 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
178 1 70 TRP HA 1 72 ALA H 0.000 . 5.800 4.541 3.135 5.952 0.152 81 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
179 1 70 TRP HB2 1 71 GLU H 0.000 . 5.800 4.066 2.720 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
180 1 70 TRP HB3 1 71 GLU H 0.000 . 5.800 3.933 2.337 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
181 1 71 GLU H 1 71 GLU HG3 0.000 . 5.760 3.707 2.336 5.278 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
182 1 71 GLU H 1 72 ALA H 0.000 . 4.730 2.302 1.507 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
183 1 71 GLU H 1 72 ALA MB 0.000 . 5.800 3.957 3.320 4.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
184 1 71 GLU HA 1 72 ALA H 0.000 . 4.250 3.358 2.259 3.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
185 1 71 GLU HB2 1 72 ALA H 0.000 . 5.740 3.277 1.931 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
186 1 71 GLU HB3 1 72 ALA H 0.000 . 5.750 3.595 1.879 4.673 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
187 1 71 GLU HG3 1 72 ALA H 0.000 . 5.800 4.688 2.388 5.881 0.081 90 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
188 1 72 ALA MB 1 74 ASN H 0.000 . 5.800 4.099 2.301 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
189 1 74 ASN H 1 75 HIS H 0.000 . 5.340 3.489 1.553 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
190 1 74 ASN HA 1 75 HIS H 0.000 . 4.400 3.052 2.193 3.605 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
191 1 74 ASN HB3 1 75 HIS H 0.000 . 5.540 3.306 1.758 4.676 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
192 1 77 GLU HA 1 78 LEU H 0.000 . 4.150 2.943 2.188 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
193 1 77 GLU HB3 1 78 LEU H 0.000 . 5.800 2.979 1.627 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
194 1 77 GLU HG2 1 78 LEU H 0.000 . 5.800 4.082 1.736 5.814 0.014 47 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
195 1 78 LEU H 1 79 HIS H 0.000 . 5.070 3.561 1.589 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
196 1 78 LEU HA 1 78 LEU MD1 0.000 . 4.350 2.710 2.003 3.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
197 1 78 LEU HA 1 79 HIS H 0.000 . 4.730 2.920 2.178 3.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
198 1 78 LEU HB2 1 79 HIS H 0.000 . 5.540 3.657 1.817 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
199 1 78 LEU HB3 1 79 HIS H 0.000 . 5.760 3.138 1.582 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
200 1 78 LEU MD1 1 79 HIS H 0.000 . 5.800 3.704 1.656 4.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
201 1 79 HIS H 1 80 GLU H 0.000 . 5.010 3.188 1.429 4.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
202 1 79 HIS HA 1 80 GLU H 0.000 . 4.670 2.852 2.185 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
203 1 79 HIS HA 1 82 ALA MB 0.000 . 5.800 3.791 2.124 4.742 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
204 1 79 HIS HB3 1 80 GLU H 0.000 . 5.480 3.600 1.760 4.696 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
205 1 80 GLU H 1 80 GLU HG3 0.000 . 5.190 3.715 1.761 5.255 0.065 100 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
206 1 80 GLU H 1 81 LEU MD2 0.000 . 5.800 3.896 1.996 4.934 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
207 1 80 GLU HA 1 80 GLU HG3 0.000 . 4.370 3.142 2.297 4.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
208 1 80 GLU HA 1 81 LEU H 0.000 . 4.170 3.445 2.740 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
209 1 80 GLU HB2 1 81 LEU H 0.000 . 5.800 3.114 1.636 4.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
210 1 80 GLU HG3 1 81 LEU H 0.000 . 5.800 4.050 1.703 5.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
211 1 81 LEU H 1 81 LEU HB3 0.000 . 4.170 3.202 2.265 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
212 1 81 LEU H 1 81 LEU MD1 0.000 . 5.800 3.532 1.494 4.520 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
213 1 81 LEU H 1 82 ALA H 0.000 . 3.560 2.563 2.083 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
214 1 81 LEU HA 1 82 ALA H 0.000 . 4.470 3.300 3.012 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
215 1 81 LEU HB3 1 82 ALA H 0.000 . 5.510 4.165 2.457 4.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
216 1 81 LEU MD2 1 82 ALA H 0.000 . 5.800 3.715 1.742 4.892 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
217 1 82 ALA HA 1 83 GLN H 0.000 . 4.490 2.899 2.185 3.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
218 1 82 ALA HA 1 85 GLY H 0.000 . 5.800 4.274 2.478 5.874 0.074 28 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
219 1 82 ALA HA 1 86 ILE H 0.000 . 5.800 5.124 2.757 5.965 0.165 78 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
220 1 82 ALA MB 1 83 GLN H 0.000 . 5.710 2.947 1.689 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
221 1 83 GLN H 1 83 GLN HG3 0.000 . 5.470 3.744 1.695 5.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
222 1 83 GLN HA 1 84 TYR H 0.000 . 4.800 3.242 2.199 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
223 1 83 GLN HB3 1 84 TYR H 0.000 . 5.800 3.377 1.687 4.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
224 1 83 GLN HG3 1 84 TYR H 0.000 . 5.800 4.347 1.750 5.855 0.055 35 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
225 1 84 TYR H 1 85 GLY H 0.000 . 4.850 2.588 1.428 4.297 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
226 1 84 TYR HA 1 85 GLY H 0.000 . 5.030 3.181 2.181 3.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
227 1 84 TYR HB2 1 85 GLY H 0.000 . 5.800 3.550 1.693 4.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
228 1 84 TYR HB2 1 86 ILE H 0.000 . 5.800 4.981 2.237 5.908 0.108 84 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
229 1 84 TYR HB3 1 85 GLY H 0.000 . 5.800 3.744 1.561 4.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
230 1 85 GLY H 1 86 ILE H 0.000 . 5.640 2.735 1.498 4.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
231 1 85 GLY HA3 1 86 ILE H 0.000 . 5.390 3.228 2.162 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5 . 6 . 7 . 8 . 9 . 0]" 1
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