NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378154 |
1gw4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1gw4
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 347
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 2.772
_Distance_constraint_stats_list.Viol_max 0.408
_Distance_constraint_stats_list.Viol_rms 0.0414
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0894
_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 SER 0.066 0.066 1 0 "[ ]"
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 LEU 0.365 0.155 1 0 "[ ]"
1 4 GLY 0.220 0.155 1 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 GLU 0.028 0.028 1 0 "[ ]"
1 7 MET 0.245 0.245 1 0 "[ ]"
1 8 ARG 0.090 0.090 1 0 "[ ]"
1 9 ASP 0.000 0.000 . 0 "[ ]"
1 10 ARG 0.047 0.035 1 0 "[ ]"
1 11 ALA 0.056 0.044 1 0 "[ ]"
1 12 ARG 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 HIS 0.000 0.000 . 0 "[ ]"
1 15 VAL 0.084 0.084 1 0 "[ ]"
1 16 ASP 0.000 0.000 . 0 "[ ]"
1 17 ALA 0.015 0.015 1 0 "[ ]"
1 18 LEU 0.084 0.084 1 0 "[ ]"
1 19 ARG 0.000 0.000 . 0 "[ ]"
1 20 THR 0.000 0.000 . 0 "[ ]"
1 21 HIS 0.000 0.000 . 0 "[ ]"
1 22 LEU 0.039 0.034 1 0 "[ ]"
1 23 ALA 0.266 0.261 1 0 "[ ]"
1 24 PRO 0.261 0.261 1 0 "[ ]"
1 25 TYR 0.000 0.000 . 0 "[ ]"
1 26 SER 0.000 0.000 . 0 "[ ]"
1 27 ASP 0.000 0.000 . 0 "[ ]"
1 28 GLU 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.050 0.050 1 0 "[ ]"
1 30 ARG 0.413 0.408 1 0 "[ ]"
1 31 GLN 0.000 0.000 . 0 "[ ]"
1 32 ARG 0.060 0.060 1 0 "[ ]"
1 33 LEU 0.413 0.408 1 0 "[ ]"
1 34 ALA 0.478 0.385 1 0 "[ ]"
1 35 ALA 0.007 0.007 1 0 "[ ]"
1 36 ARG 0.421 0.274 1 0 "[ ]"
1 37 LEU 0.393 0.385 1 0 "[ ]"
1 38 GLU 0.033 0.026 1 0 "[ ]"
1 39 ALA 0.000 0.000 . 0 "[ ]"
1 40 LEU 0.033 0.028 1 0 "[ ]"
1 41 LYS 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.000 0.000 . 0 "[ ]"
1 43 ASN 0.000 0.000 . 0 "[ ]"
1 44 GLY 0.000 0.000 . 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 SER HA 1 4 GLY H 3.800 . 3.800 3.866 3.866 3.866 0.066 1 0 "[ ]" 1
2 1 2 PRO HA 1 3 LEU H 3.800 . 3.800 3.512 3.512 3.512 . 0 0 "[ ]" 1
3 1 2 PRO QB 1 3 LEU H 5.000 . 6.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
4 1 2 PRO QD 1 3 LEU H 5.000 . 6.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
5 1 2 PRO HG2 1 3 LEU H 3.800 . 3.800 1.885 1.885 1.885 . 0 0 "[ ]" 1
6 1 3 LEU H 1 3 LEU HA 2.800 . 2.800 2.892 2.892 2.892 0.092 1 0 "[ ]" 1
7 1 3 LEU H 1 3 LEU HB2 3.800 . 3.800 3.123 3.123 3.123 . 0 0 "[ ]" 1
8 1 3 LEU H 1 3 LEU HB3 3.800 . 3.800 3.918 3.918 3.918 0.118 1 0 "[ ]" 1
9 1 3 LEU HA 1 4 GLY H 3.800 . 3.800 2.058 2.058 2.058 . 0 0 "[ ]" 1
10 1 3 LEU HB3 1 4 GLY H 3.800 . 3.800 3.955 3.955 3.955 0.155 1 0 "[ ]" 1
11 1 4 GLY QA 1 7 MET H 5.000 . 6.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
12 1 5 GLU H 1 5 GLU QB 2.800 . 3.800 2.402 2.402 2.402 . 0 0 "[ ]" 1
13 1 5 GLU H 1 5 GLU HG2 5.000 . 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
14 1 5 GLU H 1 5 GLU HG3 5.000 . 5.000 4.547 4.547 4.547 . 0 0 "[ ]" 1
15 1 5 GLU H 1 6 GLU H 2.800 . 2.800 2.661 2.661 2.661 . 0 0 "[ ]" 1
16 1 5 GLU HA 1 7 MET H 5.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
17 1 5 GLU HA 1 8 ARG H 3.800 . 3.800 3.320 3.320 3.320 . 0 0 "[ ]" 1
18 1 6 GLU H 1 6 GLU HA 2.800 . 3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 1
19 1 6 GLU HA 1 9 ASP HB2 3.800 . 3.800 3.605 3.605 3.605 . 0 0 "[ ]" 1
20 1 6 GLU HB3 1 7 MET H 3.800 . 3.800 2.763 2.763 2.763 . 0 0 "[ ]" 1
21 1 7 MET H 1 7 MET HA 2.800 . 3.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
22 1 7 MET H 1 7 MET HB3 2.800 . 3.000 3.245 3.245 3.245 0.245 1 0 "[ ]" 1
23 1 7 MET H 1 7 MET HG2 5.000 . 5.000 4.614 4.614 4.614 . 0 0 "[ ]" 1
24 1 7 MET H 1 7 MET HG3 5.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
25 1 7 MET HA 1 10 ARG H 3.800 . 3.800 3.237 3.237 3.237 . 0 0 "[ ]" 1
26 1 8 ARG H 1 8 ARG HA 2.800 . 3.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
27 1 8 ARG H 1 8 ARG HB2 2.800 . 3.800 2.421 2.421 2.421 . 0 0 "[ ]" 1
28 1 8 ARG H 1 8 ARG HB3 2.800 . 3.800 3.646 3.646 3.646 . 0 0 "[ ]" 1
29 1 8 ARG H 1 8 ARG HG3 3.800 . 5.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
30 1 8 ARG H 1 9 ASP H 3.800 . 3.800 2.745 2.745 2.745 . 0 0 "[ ]" 1
31 1 8 ARG HA 1 8 ARG HB2 2.800 . 3.000 3.090 3.090 3.090 0.090 1 0 "[ ]" 1
32 1 8 ARG HA 1 8 ARG HE 3.800 . 4.800 2.766 2.766 2.766 . 0 0 "[ ]" 1
33 1 8 ARG HA 1 8 ARG HG3 3.800 . 3.800 3.705 3.705 3.705 . 0 0 "[ ]" 1
34 1 8 ARG HA 1 11 ALA H 3.800 . 3.800 3.525 3.525 3.525 . 0 0 "[ ]" 1
35 1 8 ARG HA 1 11 ALA MB 2.800 . 4.800 3.405 3.405 3.405 . 0 0 "[ ]" 1
36 1 8 ARG HA 1 12 ARG H 6.000 . 6.000 5.404 5.404 5.404 . 0 0 "[ ]" 1
37 1 8 ARG HB2 1 9 ASP H 3.800 . 3.800 2.728 2.728 2.728 . 0 0 "[ ]" 1
38 1 8 ARG HB3 1 9 ASP H 3.800 . 3.800 3.506 3.506 3.506 . 0 0 "[ ]" 1
39 1 8 ARG HE 1 8 ARG HG2 3.800 . 3.800 2.146 2.146 2.146 . 0 0 "[ ]" 1
40 1 8 ARG HE 1 8 ARG HG3 3.800 . 3.800 3.496 3.496 3.496 . 0 0 "[ ]" 1
41 1 9 ASP H 1 9 ASP HA 2.800 . 3.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
42 1 9 ASP H 1 9 ASP HB2 2.800 . 2.800 2.286 2.286 2.286 . 0 0 "[ ]" 1
43 1 9 ASP H 1 9 ASP HB3 3.800 . 3.800 3.577 3.577 3.577 . 0 0 "[ ]" 1
44 1 9 ASP HA 1 10 ARG H 3.800 . 3.800 3.508 3.508 3.508 . 0 0 "[ ]" 1
45 1 9 ASP HA 1 12 ARG H 3.800 . 3.800 3.595 3.595 3.595 . 0 0 "[ ]" 1
46 1 9 ASP HA 1 12 ARG QB 3.800 . 4.800 2.018 2.018 2.018 . 0 0 "[ ]" 1
47 1 9 ASP HB2 1 10 ARG H 5.000 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
48 1 9 ASP HB3 1 10 ARG H 5.000 . 5.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
49 1 10 ARG H 1 10 ARG HA 2.800 . 2.800 2.835 2.835 2.835 0.035 1 0 "[ ]" 1
50 1 10 ARG H 1 10 ARG QB 2.800 . 3.800 2.537 2.537 2.537 . 0 0 "[ ]" 1
51 1 10 ARG H 1 10 ARG HG2 3.800 . 3.800 2.215 2.215 2.215 . 0 0 "[ ]" 1
52 1 10 ARG H 1 10 ARG HG3 3.800 . 3.800 3.627 3.627 3.627 . 0 0 "[ ]" 1
53 1 10 ARG H 1 11 ALA H 2.800 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
54 1 10 ARG HA 1 10 ARG HE 5.000 . 5.000 4.826 4.826 4.826 . 0 0 "[ ]" 1
55 1 10 ARG QB 1 11 ALA H 3.800 . 4.800 2.508 2.508 2.508 . 0 0 "[ ]" 1
56 1 10 ARG HE 1 10 ARG HG3 3.800 . 3.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
57 1 11 ALA H 1 11 ALA HA 2.800 . 3.000 3.044 3.044 3.044 0.044 1 0 "[ ]" 1
58 1 11 ALA H 1 11 ALA MB 2.800 . 4.800 2.395 2.395 2.395 . 0 0 "[ ]" 1
59 1 11 ALA H 1 12 ARG H 5.000 . 5.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
60 1 11 ALA HA 1 14 HIS H 3.800 . 3.800 3.084 3.084 3.084 . 0 0 "[ ]" 1
61 1 11 ALA HA 1 14 HIS HB3 5.000 . 5.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
62 1 11 ALA HA 1 14 HIS HD2 3.800 . 3.800 3.692 3.692 3.692 . 0 0 "[ ]" 1
63 1 11 ALA MB 1 12 ARG H 3.800 . 5.800 3.673 3.673 3.673 . 0 0 "[ ]" 1
64 1 12 ARG H 1 12 ARG HA 2.800 . 3.000 2.985 2.985 2.985 . 0 0 "[ ]" 1
65 1 12 ARG H 1 12 ARG QB 2.800 . 3.800 2.209 2.209 2.209 . 0 0 "[ ]" 1
66 1 12 ARG H 1 13 ALA H 3.800 . 3.800 2.380 2.380 2.380 . 0 0 "[ ]" 1
67 1 12 ARG HA 1 12 ARG HE 5.000 . 5.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
68 1 12 ARG HA 1 13 ALA H 3.800 . 3.800 3.509 3.509 3.509 . 0 0 "[ ]" 1
69 1 12 ARG HA 1 15 VAL H 3.800 . 3.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
70 1 12 ARG HA 1 15 VAL HB 3.800 . 3.800 3.175 3.175 3.175 . 0 0 "[ ]" 1
71 1 12 ARG HA 1 15 VAL MG1 3.800 . 5.800 3.465 3.465 3.465 . 0 0 "[ ]" 1
72 1 12 ARG HA 1 15 VAL MG2 5.000 . 7.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
73 1 12 ARG QB 1 13 ALA H 3.800 . 4.800 2.577 2.577 2.577 . 0 0 "[ ]" 1
74 1 12 ARG QD 1 15 VAL MG1 3.800 . 6.800 2.580 2.580 2.580 . 0 0 "[ ]" 1
75 1 12 ARG HE 1 12 ARG HG2 3.800 . 3.800 2.825 2.825 2.825 . 0 0 "[ ]" 1
76 1 12 ARG HE 1 12 ARG HG3 3.800 . 3.800 3.333 3.333 3.333 . 0 0 "[ ]" 1
77 1 12 ARG QH 1 15 VAL MG2 5.000 . 9.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
78 1 13 ALA H 1 13 ALA HA 2.800 . 3.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
79 1 13 ALA H 1 13 ALA MB 2.800 . 4.800 2.289 2.289 2.289 . 0 0 "[ ]" 1
80 1 13 ALA H 1 14 HIS H 2.800 . 2.800 2.350 2.350 2.350 . 0 0 "[ ]" 1
81 1 13 ALA HA 1 16 ASP H 5.000 . 5.000 3.090 3.090 3.090 . 0 0 "[ ]" 1
82 1 13 ALA HA 1 16 ASP HB2 3.800 . 3.800 3.088 3.088 3.088 . 0 0 "[ ]" 1
83 1 13 ALA MB 1 14 HIS H 3.800 . 5.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
84 1 13 ALA MB 1 14 HIS HA 5.000 . 7.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
85 1 13 ALA MB 1 14 HIS HD2 6.000 3.800 8.000 6.247 6.247 6.247 . 0 0 "[ ]" 1
86 1 13 ALA MB 1 15 VAL H 6.000 3.800 8.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
87 1 14 HIS H 1 14 HIS HA 2.800 . 3.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
88 1 14 HIS H 1 14 HIS HB2 3.800 . 3.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
89 1 14 HIS H 1 14 HIS HB3 3.800 . 3.800 3.622 3.622 3.622 . 0 0 "[ ]" 1
90 1 14 HIS H 1 14 HIS HD2 5.000 . 5.000 4.759 4.759 4.759 . 0 0 "[ ]" 1
91 1 14 HIS HA 1 17 ALA H 5.000 . 5.000 3.102 3.102 3.102 . 0 0 "[ ]" 1
92 1 14 HIS HA 1 17 ALA MB 3.800 . 5.300 2.453 2.453 2.453 . 0 0 "[ ]" 1
93 1 14 HIS HA 1 18 LEU H 5.000 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
94 1 14 HIS HB2 1 15 VAL H 3.800 . 3.800 2.838 2.838 2.838 . 0 0 "[ ]" 1
95 1 14 HIS HB3 1 14 HIS HD2 3.800 . 3.800 2.587 2.587 2.587 . 0 0 "[ ]" 1
96 1 14 HIS HB3 1 15 VAL H 5.000 . 5.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
97 1 14 HIS HD2 1 17 ALA MB 6.000 3.800 8.000 5.443 5.443 5.443 . 0 0 "[ ]" 1
98 1 15 VAL H 1 15 VAL HA 2.800 . 3.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
99 1 15 VAL H 1 15 VAL HB 2.800 . 2.800 2.219 2.219 2.219 . 0 0 "[ ]" 1
100 1 15 VAL H 1 15 VAL MG1 2.800 . 4.800 2.942 2.942 2.942 . 0 0 "[ ]" 1
101 1 15 VAL H 1 16 ASP H 2.800 . 2.800 2.572 2.572 2.572 . 0 0 "[ ]" 1
102 1 15 VAL HA 1 15 VAL HB 2.800 . 3.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
103 1 15 VAL HA 1 15 VAL MG1 2.800 . 4.800 3.307 3.307 3.307 . 0 0 "[ ]" 1
104 1 15 VAL HA 1 15 VAL MG2 2.800 . 4.800 2.324 2.324 2.324 . 0 0 "[ ]" 1
105 1 15 VAL HA 1 16 ASP H 3.800 . 3.800 3.485 3.485 3.485 . 0 0 "[ ]" 1
106 1 15 VAL HA 1 17 ALA H 6.000 . 6.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
107 1 15 VAL HA 1 18 LEU H 3.800 . 3.800 3.127 3.127 3.127 . 0 0 "[ ]" 1
108 1 15 VAL HA 1 18 LEU HB2 3.800 . 3.800 2.240 2.240 2.240 . 0 0 "[ ]" 1
109 1 15 VAL HA 1 18 LEU HB3 3.800 . 3.800 3.788 3.788 3.788 . 0 0 "[ ]" 1
110 1 15 VAL HA 1 18 LEU MD1 3.800 . 5.800 1.716 1.716 1.716 0.084 1 0 "[ ]" 1
111 1 15 VAL HA 1 18 LEU MD2 3.800 . 5.800 4.318 4.318 4.318 . 0 0 "[ ]" 1
112 1 15 VAL HA 1 19 ARG H 5.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
113 1 15 VAL HB 1 16 ASP H 3.800 . 3.800 3.595 3.595 3.595 . 0 0 "[ ]" 1
114 1 15 VAL MG1 1 16 ASP H 5.000 . 7.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
115 1 15 VAL MG1 1 18 LEU H 3.800 . 6.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
116 1 15 VAL MG2 1 16 ASP H 3.800 . 5.800 4.211 4.211 4.211 . 0 0 "[ ]" 1
117 1 15 VAL MG2 1 18 LEU H 5.000 . 7.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
118 1 15 VAL MG2 1 19 ARG HE 5.000 . 7.000 5.510 5.510 5.510 . 0 0 "[ ]" 1
119 1 16 ASP H 1 16 ASP HA 2.800 . 3.000 2.905 2.905 2.905 . 0 0 "[ ]" 1
120 1 16 ASP H 1 16 ASP HB2 2.800 . 2.800 2.455 2.455 2.455 . 0 0 "[ ]" 1
121 1 16 ASP H 1 16 ASP HB3 2.800 . 2.800 2.751 2.751 2.751 . 0 0 "[ ]" 1
122 1 16 ASP H 1 17 ALA H 3.800 . 3.800 2.841 2.841 2.841 . 0 0 "[ ]" 1
123 1 16 ASP HA 1 17 ALA H 3.800 . 3.800 3.546 3.546 3.546 . 0 0 "[ ]" 1
124 1 16 ASP HA 1 19 ARG H 3.800 . 3.800 3.316 3.316 3.316 . 0 0 "[ ]" 1
125 1 16 ASP HA 1 19 ARG HB3 3.800 . 3.800 3.497 3.497 3.497 . 0 0 "[ ]" 1
126 1 16 ASP HA 1 19 ARG HE 5.000 . 5.000 3.060 3.060 3.060 . 0 0 "[ ]" 1
127 1 16 ASP HB2 1 17 ALA H 3.800 . 3.800 3.538 3.538 3.538 . 0 0 "[ ]" 1
128 1 16 ASP HB3 1 17 ALA H 3.800 . 3.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
129 1 17 ALA H 1 17 ALA HA 2.800 . 2.800 2.815 2.815 2.815 0.015 1 0 "[ ]" 1
130 1 17 ALA H 1 17 ALA MB 2.800 . 4.800 2.262 2.262 2.262 . 0 0 "[ ]" 1
131 1 17 ALA H 1 18 LEU H 3.800 . 3.800 2.862 2.862 2.862 . 0 0 "[ ]" 1
132 1 17 ALA HA 1 18 LEU H 3.800 . 3.800 3.481 3.481 3.481 . 0 0 "[ ]" 1
133 1 17 ALA HA 1 19 ARG H 6.000 . 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
134 1 17 ALA MB 1 18 LEU H 3.800 . 5.800 2.747 2.747 2.747 . 0 0 "[ ]" 1
135 1 18 LEU H 1 18 LEU HA 2.800 . 3.000 2.972 2.972 2.972 . 0 0 "[ ]" 1
136 1 18 LEU H 1 18 LEU MD1 5.000 . 7.000 3.704 3.704 3.704 . 0 0 "[ ]" 1
137 1 18 LEU H 1 18 LEU MD2 3.800 . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
138 1 18 LEU H 1 19 ARG H 2.800 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
139 1 18 LEU HA 1 18 LEU HB3 2.800 . 2.800 2.674 2.674 2.674 . 0 0 "[ ]" 1
140 1 18 LEU HA 1 18 LEU MD1 3.800 . 5.800 3.993 3.993 3.993 . 0 0 "[ ]" 1
141 1 18 LEU HA 1 18 LEU MD2 3.800 . 5.800 2.235 2.235 2.235 . 0 0 "[ ]" 1
142 1 18 LEU HA 1 21 HIS H 3.800 . 3.800 3.660 3.660 3.660 . 0 0 "[ ]" 1
143 1 18 LEU HA 1 21 HIS HB2 5.000 . 5.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
144 1 18 LEU HA 1 21 HIS HD2 3.800 . 3.800 2.505 2.505 2.505 . 0 0 "[ ]" 1
145 1 18 LEU HB2 1 19 ARG H 2.800 . 3.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
146 1 18 LEU HB3 1 19 ARG H 3.800 . 3.800 3.548 3.548 3.548 . 0 0 "[ ]" 1
147 1 18 LEU MD2 1 19 ARG H 5.000 . 7.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
148 1 19 ARG H 1 19 ARG HA 2.800 . 3.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
149 1 19 ARG H 1 19 ARG HB2 2.800 . 3.000 2.407 2.407 2.407 . 0 0 "[ ]" 1
150 1 19 ARG H 1 19 ARG HB3 2.800 . 3.000 2.708 2.708 2.708 . 0 0 "[ ]" 1
151 1 19 ARG H 1 19 ARG QD 5.000 . 6.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
152 1 19 ARG H 1 19 ARG HG2 5.000 . 5.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
153 1 19 ARG H 1 20 THR H 3.800 . 3.800 2.499 2.499 2.499 . 0 0 "[ ]" 1
154 1 19 ARG HA 1 19 ARG HE 5.000 . 5.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
155 1 19 ARG HA 1 19 ARG HG2 3.800 . 3.800 3.274 3.274 3.274 . 0 0 "[ ]" 1
156 1 19 ARG HA 1 19 ARG HG3 3.800 . 3.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
157 1 19 ARG HA 1 20 THR H 3.800 . 3.800 3.483 3.483 3.483 . 0 0 "[ ]" 1
158 1 19 ARG HA 1 21 HIS H 6.000 . 6.000 4.019 4.019 4.019 . 0 0 "[ ]" 1
159 1 19 ARG HA 1 23 ALA H 5.000 . 5.000 4.890 4.890 4.890 . 0 0 "[ ]" 1
160 1 19 ARG HB2 1 19 ARG HE 5.000 . 5.000 2.156 2.156 2.156 . 0 0 "[ ]" 1
161 1 19 ARG HB2 1 20 THR H 3.800 . 3.800 3.775 3.775 3.775 . 0 0 "[ ]" 1
162 1 19 ARG HB3 1 19 ARG HE 5.000 . 5.000 2.247 2.247 2.247 . 0 0 "[ ]" 1
163 1 19 ARG HB3 1 20 THR H 3.800 . 3.800 2.749 2.749 2.749 . 0 0 "[ ]" 1
164 1 19 ARG QD 1 22 LEU QD 3.800 . 7.400 3.738 3.738 3.738 . 0 0 "[ ]" 1
165 1 19 ARG HE 1 19 ARG HG2 3.800 . 3.800 3.323 3.323 3.323 . 0 0 "[ ]" 1
166 1 19 ARG HE 1 19 ARG HG3 3.800 . 3.800 3.690 3.690 3.690 . 0 0 "[ ]" 1
167 1 20 THR H 1 20 THR HA 2.800 . 3.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
168 1 20 THR H 1 20 THR HB 2.800 . 2.800 2.451 2.451 2.451 . 0 0 "[ ]" 1
169 1 20 THR H 1 20 THR HG1 3.800 . 4.800 3.318 3.318 3.318 . 0 0 "[ ]" 1
170 1 20 THR H 1 21 HIS H 2.800 . 2.800 2.675 2.675 2.675 . 0 0 "[ ]" 1
171 1 20 THR HA 1 20 THR HG1 2.800 . 4.800 2.603 2.603 2.603 . 0 0 "[ ]" 1
172 1 20 THR HA 1 21 HIS H 3.800 . 3.800 3.482 3.482 3.482 . 0 0 "[ ]" 1
173 1 20 THR HA 1 23 ALA H 5.000 . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
174 1 20 THR HA 1 23 ALA MB 3.800 . 5.500 2.928 2.928 2.928 . 0 0 "[ ]" 1
175 1 20 THR HB 1 21 HIS H 3.800 . 3.800 2.854 2.854 2.854 . 0 0 "[ ]" 1
176 1 20 THR HG1 1 21 HIS H 5.000 . 7.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
177 1 20 THR HG1 1 21 HIS HD2 5.000 . 7.000 5.370 5.370 5.370 . 0 0 "[ ]" 1
178 1 21 HIS H 1 21 HIS HA 2.800 . 3.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
179 1 21 HIS H 1 22 LEU H 2.800 . 2.800 2.588 2.588 2.588 . 0 0 "[ ]" 1
180 1 21 HIS HA 1 22 LEU H 3.800 . 3.800 3.524 3.524 3.524 . 0 0 "[ ]" 1
181 1 21 HIS HA 1 23 ALA MB 5.000 . 7.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
182 1 21 HIS HB2 1 22 LEU H 3.800 . 3.800 2.500 2.500 2.500 . 0 0 "[ ]" 1
183 1 21 HIS HB3 1 21 HIS HD2 3.800 . 3.800 3.376 3.376 3.376 . 0 0 "[ ]" 1
184 1 21 HIS HB3 1 22 LEU H 3.800 . 3.800 3.265 3.265 3.265 . 0 0 "[ ]" 1
185 1 21 HIS HD2 1 22 LEU QD 5.000 . 7.400 5.053 5.053 5.053 . 0 0 "[ ]" 1
186 1 22 LEU H 1 22 LEU HA 2.800 . 3.000 3.034 3.034 3.034 0.034 1 0 "[ ]" 1
187 1 22 LEU H 1 22 LEU QB 2.800 . 3.800 2.871 2.871 2.871 . 0 0 "[ ]" 1
188 1 22 LEU H 1 22 LEU HG 3.800 . 3.800 2.098 2.098 2.098 . 0 0 "[ ]" 1
189 1 22 LEU H 1 23 ALA H 2.800 . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
190 1 22 LEU HA 1 22 LEU QD 2.800 . 5.700 3.513 3.513 3.513 . 0 0 "[ ]" 1
191 1 22 LEU HA 1 22 LEU HG 3.800 . 3.800 3.764 3.764 3.764 . 0 0 "[ ]" 1
192 1 22 LEU HA 1 23 ALA H 3.800 . 3.800 2.894 2.894 2.894 . 0 0 "[ ]" 1
193 1 22 LEU HA 1 23 ALA MB 5.000 . 7.000 4.431 4.431 4.431 . 0 0 "[ ]" 1
194 1 22 LEU HA 1 25 TYR H 5.000 . 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
195 1 22 LEU HA 1 25 TYR HB2 6.000 . 6.000 2.926 2.926 2.926 . 0 0 "[ ]" 1
196 1 22 LEU HA 1 25 TYR QD 2.800 . 4.800 3.067 3.067 3.067 . 0 0 "[ ]" 1
197 1 22 LEU HA 1 25 TYR QE 5.000 . 7.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
198 1 22 LEU QB 1 25 TYR QD 5.000 . 8.000 2.164 2.164 2.164 . 0 0 "[ ]" 1
199 1 22 LEU QD 1 25 TYR QD 3.800 . 8.700 3.444 3.444 3.444 . 0 0 "[ ]" 1
200 1 22 LEU QD 1 25 TYR QE 5.000 . 9.900 4.637 4.637 4.637 . 0 0 "[ ]" 1
201 1 22 LEU HG 1 25 TYR QD 6.000 . 8.000 4.972 4.972 4.972 . 0 0 "[ ]" 1
202 1 23 ALA H 1 23 ALA HA 2.800 . 3.000 2.883 2.883 2.883 . 0 0 "[ ]" 1
203 1 23 ALA H 1 23 ALA MB 2.800 . 4.800 2.264 2.264 2.264 . 0 0 "[ ]" 1
204 1 23 ALA H 1 24 PRO HD2 3.800 . 3.800 2.324 2.324 2.324 . 0 0 "[ ]" 1
205 1 23 ALA H 1 24 PRO HD3 3.800 . 3.800 2.940 2.940 2.940 . 0 0 "[ ]" 1
206 1 23 ALA HA 1 24 PRO HD2 6.000 . 6.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
207 1 23 ALA HA 1 26 SER H 5.000 . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
208 1 23 ALA MB 1 24 PRO HD2 2.800 . 4.800 2.726 2.726 2.726 . 0 0 "[ ]" 1
209 1 23 ALA MB 1 24 PRO HD3 2.800 . 4.800 1.539 1.539 1.539 0.261 1 0 "[ ]" 1
210 1 24 PRO HA 1 24 PRO HB3 2.800 . 2.800 2.390 2.390 2.390 . 0 0 "[ ]" 1
211 1 24 PRO HA 1 25 TYR H 5.000 . 5.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
212 1 24 PRO HA 1 25 TYR QD 5.000 . 7.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
213 1 24 PRO HB2 1 25 TYR H 5.000 . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
214 1 24 PRO HB2 1 25 TYR QE 6.000 . 8.000 5.004 5.004 5.004 . 0 0 "[ ]" 1
215 1 24 PRO HB3 1 25 TYR QD 6.000 . 8.000 5.460 5.460 5.460 . 0 0 "[ ]" 1
216 1 24 PRO HB3 1 25 TYR QE 5.000 . 7.000 6.461 6.461 6.461 . 0 0 "[ ]" 1
217 1 24 PRO HD2 1 25 TYR H 3.800 . 3.800 3.288 3.288 3.288 . 0 0 "[ ]" 1
218 1 24 PRO HD2 1 25 TYR QD 5.000 . 7.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
219 1 24 PRO HD2 1 25 TYR QE 5.000 . 7.000 5.228 5.228 5.228 . 0 0 "[ ]" 1
220 1 24 PRO HD3 1 25 TYR H 5.000 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
221 1 24 PRO HD3 1 25 TYR QD 5.000 . 7.000 5.704 5.704 5.704 . 0 0 "[ ]" 1
222 1 24 PRO QG 1 25 TYR QD 5.000 . 8.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
223 1 24 PRO QG 1 25 TYR QE 5.000 . 8.000 3.836 3.836 3.836 . 0 0 "[ ]" 1
224 1 25 TYR H 1 25 TYR HB2 3.800 . 3.800 2.471 2.471 2.471 . 0 0 "[ ]" 1
225 1 25 TYR H 1 25 TYR HB3 3.800 . 3.800 3.681 3.681 3.681 . 0 0 "[ ]" 1
226 1 25 TYR H 1 25 TYR QD 2.800 . 4.800 3.729 3.729 3.729 . 0 0 "[ ]" 1
227 1 25 TYR H 1 25 TYR QE 5.000 . 7.000 5.613 5.613 5.613 . 0 0 "[ ]" 1
228 1 25 TYR HA 1 26 SER H 3.800 . 3.800 3.429 3.429 3.429 . 0 0 "[ ]" 1
229 1 25 TYR HA 1 27 ASP H 5.000 . 5.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
230 1 25 TYR HB2 1 25 TYR QD 2.800 . 4.800 2.612 2.612 2.612 . 0 0 "[ ]" 1
231 1 25 TYR HB2 1 26 SER H 3.800 . 3.800 3.144 3.144 3.144 . 0 0 "[ ]" 1
232 1 25 TYR HB2 1 29 LEU QD 5.000 . 7.900 4.872 4.872 4.872 . 0 0 "[ ]" 1
233 1 25 TYR HB3 1 25 TYR QD 2.800 . 4.800 2.665 2.665 2.665 . 0 0 "[ ]" 1
234 1 25 TYR HB3 1 26 SER H 3.800 . 3.800 3.737 3.737 3.737 . 0 0 "[ ]" 1
235 1 25 TYR HB3 1 29 LEU QD 5.000 . 7.900 3.582 3.582 3.582 . 0 0 "[ ]" 1
236 1 25 TYR QD 1 26 SER H 5.000 . 7.000 4.670 4.670 4.670 . 0 0 "[ ]" 1
237 1 27 ASP HA 1 30 ARG QB 3.800 . 4.800 3.762 3.762 3.762 . 0 0 "[ ]" 1
238 1 27 ASP HA 1 30 ARG HE 5.000 . 5.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
239 1 28 GLU HA 1 28 GLU HB3 2.800 . 2.800 2.753 2.753 2.753 . 0 0 "[ ]" 1
240 1 28 GLU HA 1 29 LEU H 5.000 . 5.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
241 1 28 GLU HB3 1 29 LEU H 3.800 . 3.800 3.396 3.396 3.396 . 0 0 "[ ]" 1
242 1 29 LEU H 1 29 LEU HA 2.800 . 3.000 3.050 3.050 3.050 0.050 1 0 "[ ]" 1
243 1 29 LEU H 1 29 LEU QB 2.800 . 3.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
244 1 29 LEU H 1 29 LEU HG 3.800 . 3.800 3.797 3.797 3.797 . 0 0 "[ ]" 1
245 1 29 LEU H 1 30 ARG H 5.000 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
246 1 29 LEU HA 1 29 LEU HG 3.800 . 3.800 3.747 3.747 3.747 . 0 0 "[ ]" 1
247 1 29 LEU HA 1 32 ARG H 3.800 . 3.800 3.552 3.552 3.552 . 0 0 "[ ]" 1
248 1 29 LEU HA 1 32 ARG HB2 3.800 . 3.800 3.521 3.521 3.521 . 0 0 "[ ]" 1
249 1 29 LEU QB 1 30 ARG H 3.800 . 4.800 3.488 3.488 3.488 . 0 0 "[ ]" 1
250 1 30 ARG H 1 30 ARG HA 2.800 . 3.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
251 1 30 ARG H 1 30 ARG QB 2.800 . 3.800 3.004 3.004 3.004 . 0 0 "[ ]" 1
252 1 30 ARG H 1 31 GLN H 2.800 . 2.800 2.047 2.047 2.047 . 0 0 "[ ]" 1
253 1 30 ARG HA 1 30 ARG HE 5.000 . 5.000 3.646 3.646 3.646 . 0 0 "[ ]" 1
254 1 30 ARG HA 1 30 ARG HG2 3.800 . 3.800 3.260 3.260 3.260 . 0 0 "[ ]" 1
255 1 30 ARG HA 1 30 ARG HG3 3.800 . 3.800 2.190 2.190 2.190 . 0 0 "[ ]" 1
256 1 30 ARG HA 1 33 LEU H 3.800 . 3.800 3.035 3.035 3.035 . 0 0 "[ ]" 1
257 1 30 ARG HA 1 33 LEU QB 3.800 . 4.800 2.715 2.715 2.715 . 0 0 "[ ]" 1
258 1 30 ARG HA 1 33 LEU QD 3.800 . 7.200 1.392 1.392 1.392 0.408 1 0 "[ ]" 1
259 1 30 ARG HA 1 33 LEU HG 3.800 . 3.800 2.967 2.967 2.967 . 0 0 "[ ]" 1
260 1 30 ARG HA 1 34 ALA H 5.000 . 5.000 4.337 4.337 4.337 . 0 0 "[ ]" 1
261 1 30 ARG QB 1 31 GLN H 3.800 . 4.800 2.542 2.542 2.542 . 0 0 "[ ]" 1
262 1 30 ARG QD 1 33 LEU QD 3.800 . 7.400 4.008 4.008 4.008 . 0 0 "[ ]" 1
263 1 30 ARG HE 1 30 ARG HG2 3.800 . 3.800 3.805 3.805 3.805 0.005 1 0 "[ ]" 1
264 1 30 ARG HE 1 30 ARG HG3 3.800 . 3.800 2.656 2.656 2.656 . 0 0 "[ ]" 1
265 1 31 GLN H 1 31 GLN HA 2.800 . 3.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
266 1 31 GLN H 1 31 GLN QB 2.800 . 3.800 2.394 2.394 2.394 . 0 0 "[ ]" 1
267 1 31 GLN H 1 31 GLN HG2 5.000 . 5.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
268 1 31 GLN H 1 31 GLN HG3 3.800 . 3.800 2.543 2.543 2.543 . 0 0 "[ ]" 1
269 1 31 GLN H 1 32 ARG H 2.800 . 2.800 2.517 2.517 2.517 . 0 0 "[ ]" 1
270 1 31 GLN HA 1 34 ALA H 3.800 . 3.800 2.863 2.863 2.863 . 0 0 "[ ]" 1
271 1 31 GLN HA 1 34 ALA MB 3.800 . 5.800 1.963 1.963 1.963 . 0 0 "[ ]" 1
272 1 31 GLN QB 1 32 ARG H 2.800 . 3.800 2.662 2.662 2.662 . 0 0 "[ ]" 1
273 1 32 ARG H 1 32 ARG HA 2.800 . 3.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
274 1 32 ARG H 1 32 ARG QG 3.800 . 4.800 3.951 3.951 3.951 . 0 0 "[ ]" 1
275 1 32 ARG H 1 33 LEU H 2.800 . 2.800 2.604 2.604 2.604 . 0 0 "[ ]" 1
276 1 32 ARG HA 1 32 ARG HB2 2.800 . 3.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
277 1 32 ARG HA 1 32 ARG HB3 2.800 . 3.000 3.060 3.060 3.060 0.060 1 0 "[ ]" 1
278 1 32 ARG HA 1 32 ARG HE 5.000 . 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
279 1 32 ARG HA 1 32 ARG QG 3.800 . 4.800 2.392 2.392 2.392 . 0 0 "[ ]" 1
280 1 32 ARG HA 1 33 LEU H 3.800 . 3.800 3.509 3.509 3.509 . 0 0 "[ ]" 1
281 1 33 LEU H 1 33 LEU HA 2.800 . 3.000 2.981 2.981 2.981 . 0 0 "[ ]" 1
282 1 33 LEU H 1 33 LEU QB 2.800 . 3.800 2.692 2.692 2.692 . 0 0 "[ ]" 1
283 1 33 LEU H 1 33 LEU QD 3.800 . 6.700 3.029 3.029 3.029 . 0 0 "[ ]" 1
284 1 33 LEU H 1 33 LEU HG 3.800 . 3.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
285 1 33 LEU H 1 34 ALA H 2.800 . 2.800 2.488 2.488 2.488 . 0 0 "[ ]" 1
286 1 33 LEU HA 1 33 LEU QD 3.800 . 6.400 2.669 2.669 2.669 . 0 0 "[ ]" 1
287 1 33 LEU HA 1 33 LEU HG 3.800 . 3.800 3.121 3.121 3.121 . 0 0 "[ ]" 1
288 1 33 LEU HA 1 34 ALA H 3.800 . 3.800 3.408 3.408 3.408 . 0 0 "[ ]" 1
289 1 33 LEU HA 1 36 ARG H 3.800 . 3.800 3.684 3.684 3.684 . 0 0 "[ ]" 1
290 1 33 LEU HA 1 36 ARG HB3 3.800 . 3.800 3.805 3.805 3.805 0.005 1 0 "[ ]" 1
291 1 33 LEU QB 1 34 ALA H 3.800 . 4.800 3.102 3.102 3.102 . 0 0 "[ ]" 1
292 1 34 ALA H 1 34 ALA HA 2.800 . 2.900 2.977 2.977 2.977 0.077 1 0 "[ ]" 1
293 1 34 ALA H 1 34 ALA MB 2.800 . 4.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
294 1 34 ALA H 1 35 ALA H 2.800 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
295 1 34 ALA HA 1 37 LEU H 3.800 . 3.800 3.654 3.654 3.654 . 0 0 "[ ]" 1
296 1 34 ALA HA 1 37 LEU QB 3.800 . 4.800 2.570 2.570 2.570 . 0 0 "[ ]" 1
297 1 34 ALA HA 1 37 LEU QD 3.800 . 6.400 1.415 1.415 1.415 0.385 1 0 "[ ]" 1
298 1 34 ALA HA 1 37 LEU HG 3.800 . 3.800 3.808 3.808 3.808 0.008 1 0 "[ ]" 1
299 1 35 ALA H 1 35 ALA MB 2.800 . 4.800 2.400 2.400 2.400 . 0 0 "[ ]" 1
300 1 35 ALA HA 1 38 GLU H 3.800 . 3.800 3.357 3.357 3.357 . 0 0 "[ ]" 1
301 1 35 ALA MB 1 36 ARG H 2.800 . 4.800 2.389 2.389 2.389 . 0 0 "[ ]" 1
302 1 36 ARG H 1 36 ARG HB2 3.800 . 3.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
303 1 36 ARG H 1 36 ARG HB3 2.800 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
304 1 36 ARG H 1 37 LEU H 2.800 . 2.800 2.530 2.530 2.530 . 0 0 "[ ]" 1
305 1 36 ARG HA 1 36 ARG HD2 5.000 . 5.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
306 1 36 ARG HA 1 36 ARG HD3 5.000 . 5.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
307 1 36 ARG HA 1 36 ARG HE 5.000 . 5.000 4.964 4.964 4.964 . 0 0 "[ ]" 1
308 1 36 ARG HA 1 37 LEU H 3.800 . 3.800 3.530 3.530 3.530 . 0 0 "[ ]" 1
309 1 36 ARG HA 1 39 ALA H 3.800 . 3.800 3.037 3.037 3.037 . 0 0 "[ ]" 1
310 1 36 ARG HB2 1 36 ARG HE 5.000 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
311 1 36 ARG HB2 1 37 LEU H 3.800 . 3.800 3.792 3.792 3.792 . 0 0 "[ ]" 1
312 1 36 ARG HB3 1 36 ARG HE 5.000 . 5.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
313 1 36 ARG HB3 1 37 LEU H 2.800 . 3.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
314 1 36 ARG HD2 1 36 ARG HE 2.800 . 2.800 2.871 2.871 2.871 0.071 1 0 "[ ]" 1
315 1 36 ARG HD2 1 36 ARG HG2 2.800 . 2.800 3.074 3.074 3.074 0.274 1 0 "[ ]" 1
316 1 36 ARG HD3 1 36 ARG HE 2.800 . 2.800 2.871 2.871 2.871 0.071 1 0 "[ ]" 1
317 1 36 ARG HE 1 36 ARG HG2 3.800 . 3.800 2.234 2.234 2.234 . 0 0 "[ ]" 1
318 1 36 ARG HE 1 36 ARG HG3 3.800 . 3.800 2.664 2.664 2.664 . 0 0 "[ ]" 1
319 1 37 LEU H 1 38 GLU H 2.800 . 2.800 2.765 2.765 2.765 . 0 0 "[ ]" 1
320 1 37 LEU HA 1 37 LEU HG 3.800 . 3.800 3.510 3.510 3.510 . 0 0 "[ ]" 1
321 1 37 LEU HA 1 38 GLU H 3.800 . 3.800 3.455 3.455 3.455 . 0 0 "[ ]" 1
322 1 37 LEU HA 1 40 LEU H 3.800 . 3.800 3.331 3.331 3.331 . 0 0 "[ ]" 1
323 1 37 LEU QB 1 38 GLU H 3.800 . 4.800 3.403 3.403 3.403 . 0 0 "[ ]" 1
324 1 38 GLU H 1 38 GLU HB2 2.800 . 3.000 2.132 2.132 2.132 . 0 0 "[ ]" 1
325 1 38 GLU H 1 38 GLU HB3 2.800 . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
326 1 38 GLU H 1 38 GLU QG 3.800 . 4.800 3.858 3.858 3.858 . 0 0 "[ ]" 1
327 1 38 GLU H 1 39 ALA H 2.800 . 2.800 2.647 2.647 2.647 . 0 0 "[ ]" 1
328 1 38 GLU HA 1 38 GLU HB2 2.800 . 3.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
329 1 38 GLU HA 1 38 GLU HB3 2.800 . 3.000 3.026 3.026 3.026 0.026 1 0 "[ ]" 1
330 1 38 GLU HA 1 39 ALA H 5.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
331 1 38 GLU HA 1 41 LYS H 5.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
332 1 38 GLU HB2 1 39 ALA H 3.800 . 3.800 3.285 3.285 3.285 . 0 0 "[ ]" 1
333 1 38 GLU HB3 1 39 ALA H 5.000 . 5.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
334 1 39 ALA H 1 39 ALA MB 2.800 . 4.800 2.264 2.264 2.264 . 0 0 "[ ]" 1
335 1 39 ALA H 1 40 LEU H 2.800 . 2.800 2.727 2.727 2.727 . 0 0 "[ ]" 1
336 1 40 LEU H 1 40 LEU HB2 2.800 . 3.000 2.237 2.237 2.237 . 0 0 "[ ]" 1
337 1 40 LEU H 1 40 LEU HB3 2.800 . 3.000 3.005 3.005 3.005 0.005 1 0 "[ ]" 1
338 1 40 LEU H 1 40 LEU HG 5.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
339 1 40 LEU HA 1 40 LEU HB3 2.800 . 3.000 3.028 3.028 3.028 0.028 1 0 "[ ]" 1
340 1 40 LEU HA 1 40 LEU HG 3.800 . 3.800 2.457 2.457 2.457 . 0 0 "[ ]" 1
341 1 41 LYS H 1 41 LYS HB2 3.800 . 3.800 2.401 2.401 2.401 . 0 0 "[ ]" 1
342 1 41 LYS H 1 41 LYS HB3 3.800 . 3.800 3.655 3.655 3.655 . 0 0 "[ ]" 1
343 1 41 LYS H 1 41 LYS QG 3.800 . 4.800 3.285 3.285 3.285 . 0 0 "[ ]" 1
344 1 41 LYS H 1 42 GLU H 3.800 . 3.800 2.853 2.853 2.853 . 0 0 "[ ]" 1
345 1 43 ASN H 1 43 ASN HA 2.800 . 2.900 2.385 2.385 2.385 . 0 0 "[ ]" 1
346 1 43 ASN H 1 43 ASN HB2 3.800 . 3.800 3.425 3.425 3.425 . 0 0 "[ ]" 1
347 1 43 ASN HB2 1 44 GLY H 5.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
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