NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374201 |
1e9k   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e9k
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 493
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 12.378
_Distance_constraint_stats_list.Viol_max 1.243
_Distance_constraint_stats_list.Viol_rms 0.0933
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0251
_Distance_constraint_stats_list.Viol_average_violations_only 0.1696
_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 VAL 0.000 0.000 . 0 "[ ]"
1 2 PRO 0.000 0.000 . 0 "[ ]"
1 3 GLU 0.248 0.248 1 0 "[ ]"
1 4 VAL 0.248 0.248 1 0 "[ ]"
1 5 ASP 0.021 0.021 1 0 "[ ]"
1 6 ASN 0.232 0.154 1 0 "[ ]"
1 7 PRO 0.392 0.154 1 0 "[ ]"
1 8 HIS 0.055 0.045 1 0 "[ ]"
1 9 CYS 0.000 0.000 . 0 "[ ]"
1 10 PRO 0.591 0.328 1 0 "[ ]"
1 11 ASN 2.248 0.419 1 0 "[ ]"
1 12 PRO 1.336 0.419 1 0 "[ ]"
1 13 TRP 1.009 0.251 1 0 "[ ]"
1 14 LEU 0.880 0.223 1 0 "[ ]"
1 15 ASN 0.923 0.288 1 0 "[ ]"
1 16 GLU 0.975 0.288 1 0 "[ ]"
1 17 ASP 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.668 0.249 1 0 "[ ]"
1 19 VAL 0.249 0.103 1 0 "[ ]"
1 20 LYS 1.001 0.839 1 1 [+]
1 21 SER 0.802 0.328 1 0 "[ ]"
1 22 LEU 0.304 0.304 1 0 "[ ]"
1 23 ARG 0.899 0.369 1 0 "[ ]"
1 24 GLU 0.332 0.243 1 0 "[ ]"
1 25 ASN 1.859 0.369 1 0 "[ ]"
1 26 LEU 2.260 1.243 1 1 [+]
1 27 LEU 0.058 0.058 1 0 "[ ]"
1 28 GLN 0.381 0.194 1 0 "[ ]"
1 29 HIS 0.602 0.333 1 0 "[ ]"
1 30 GLU 0.410 0.333 1 0 "[ ]"
1 31 LYS 0.541 0.241 1 0 "[ ]"
1 32 SER 0.747 0.317 1 0 "[ ]"
1 33 LYS 0.345 0.317 1 0 "[ ]"
1 34 THR 0.399 0.211 1 0 "[ ]"
1 35 ALA 0.129 0.096 1 0 "[ ]"
1 36 ARG 0.000 0.000 . 0 "[ ]"
1 37 LYS 0.301 0.259 1 0 "[ ]"
1 38 SER 0.301 0.259 1 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 VAL HA 1 2 PRO HD2 1.000 . 3.000 2.898 2.898 2.898 . 0 0 "[ ]" 1
2 1 1 VAL HA 1 2 PRO HD3 1.000 . 3.000 1.792 1.792 1.792 . 0 0 "[ ]" 1
3 1 1 VAL MG1 1 2 PRO HD2 1.000 . 5.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
4 1 1 VAL MG1 1 2 PRO HD3 1.000 . 5.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
5 1 1 VAL MG1 1 3 GLU QB 1.000 . 5.500 3.741 3.741 3.741 . 0 0 "[ ]" 1
6 1 1 VAL MG2 1 2 PRO HD2 1.000 . 5.000 1.843 1.843 1.843 . 0 0 "[ ]" 1
7 1 1 VAL MG2 1 2 PRO HD3 1.000 . 5.000 2.540 2.540 2.540 . 0 0 "[ ]" 1
8 1 1 VAL MG2 1 3 GLU QB 1.000 . 5.500 3.619 3.619 3.619 . 0 0 "[ ]" 1
9 1 2 PRO HA 1 3 GLU H 2.000 . 6.000 2.296 2.296 2.296 . 0 0 "[ ]" 1
10 1 2 PRO QD 1 3 GLU H 3.000 3.000 7.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
11 1 2 PRO QD 1 3 GLU QB 2.000 . 6.000 4.254 4.254 4.254 . 0 0 "[ ]" 1
12 1 2 PRO HD2 1 3 GLU QG 1.000 . 4.500 2.669 2.669 2.669 . 0 0 "[ ]" 1
13 1 2 PRO HD3 1 3 GLU QG 1.000 . 4.500 3.975 3.975 3.975 . 0 0 "[ ]" 1
14 1 3 GLU H 1 3 GLU HB2 1.000 . 4.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
15 1 3 GLU H 1 3 GLU HB3 1.000 . 4.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
16 1 3 GLU H 1 3 GLU QG 1.000 . 5.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
17 1 3 GLU H 1 4 VAL H 1.000 . 3.500 2.063 2.063 2.063 . 0 0 "[ ]" 1
18 1 3 GLU H 1 4 VAL MG1 3.000 3.000 8.500 5.078 5.078 5.078 . 0 0 "[ ]" 1
19 1 3 GLU H 1 4 VAL MG2 3.000 3.000 8.500 2.752 2.752 2.752 0.248 1 0 "[ ]" 1
20 1 3 GLU HA 1 4 VAL H 1.000 . 5.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
21 1 3 GLU QG 1 4 VAL H 1.000 . 4.500 3.880 3.880 3.880 . 0 0 "[ ]" 1
22 1 4 VAL H 1 4 VAL HB 1.000 . 4.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
23 1 4 VAL H 1 4 VAL QG 2.000 . 6.000 2.134 2.134 2.134 . 0 0 "[ ]" 1
24 1 4 VAL H 1 5 ASP H 1.000 . 3.500 3.125 3.125 3.125 . 0 0 "[ ]" 1
25 1 4 VAL HA 1 5 ASP H 1.000 . 4.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
26 1 4 VAL HA 1 5 ASP HA 1.000 . 5.000 4.713 4.713 4.713 . 0 0 "[ ]" 1
27 1 5 ASP H 1 6 ASN QB 2.000 . 6.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
28 1 5 ASP HA 1 6 ASN H 1.000 . 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
29 1 5 ASP HA 1 7 PRO HD2 1.000 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
30 1 5 ASP HA 1 7 PRO HD3 1.000 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
31 1 5 ASP QB 1 6 ASN H 1.000 . 5.500 4.083 4.083 4.083 . 0 0 "[ ]" 1
32 1 6 ASN H 1 6 ASN HB2 1.000 . 4.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
33 1 6 ASN H 1 6 ASN HB3 1.000 . 4.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
34 1 6 ASN H 1 6 ASN QD 3.000 3.000 7.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
35 1 6 ASN H 1 7 PRO HD2 2.000 . 6.000 4.069 4.069 4.069 . 0 0 "[ ]" 1
36 1 6 ASN H 1 7 PRO HD3 2.000 . 6.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
37 1 6 ASN HA 1 6 ASN HD21 3.000 3.000 8.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
38 1 6 ASN HA 1 6 ASN HD22 3.000 3.000 8.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
39 1 6 ASN HA 1 7 PRO HA 1.000 . 4.500 4.486 4.486 4.486 . 0 0 "[ ]" 1
40 1 6 ASN HA 1 7 PRO QB 1.000 . 4.500 4.567 4.567 4.567 0.067 1 0 "[ ]" 1
41 1 6 ASN HA 1 7 PRO HD2 1.000 . 3.000 1.880 1.880 1.880 . 0 0 "[ ]" 1
42 1 6 ASN HA 1 7 PRO HD3 1.000 . 3.000 2.268 2.268 2.268 . 0 0 "[ ]" 1
43 1 6 ASN HA 1 7 PRO HG2 1.000 . 5.000 4.123 4.123 4.123 . 0 0 "[ ]" 1
44 1 6 ASN HA 1 7 PRO HG3 1.000 . 5.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
45 1 6 ASN HA 1 8 HIS H 1.000 . 4.500 3.690 3.690 3.690 . 0 0 "[ ]" 1
46 1 6 ASN QB 1 8 HIS H 2.000 . 6.000 5.028 5.028 5.028 . 0 0 "[ ]" 1
47 1 6 ASN HB2 1 7 PRO HD2 1.000 . 4.500 3.946 3.946 3.946 . 0 0 "[ ]" 1
48 1 6 ASN HB2 1 7 PRO HD3 1.000 . 4.500 4.447 4.447 4.447 . 0 0 "[ ]" 1
49 1 6 ASN HB3 1 7 PRO HD2 1.000 . 4.500 4.654 4.654 4.654 0.154 1 0 "[ ]" 1
50 1 6 ASN HB3 1 7 PRO HD3 1.000 . 4.500 4.501 4.501 4.501 0.001 1 0 "[ ]" 1
51 1 6 ASN QD 1 8 HIS HB2 2.000 . 6.000 5.329 5.329 5.329 . 0 0 "[ ]" 1
52 1 6 ASN QD 1 8 HIS HB3 2.000 . 6.000 6.010 6.010 6.010 0.010 1 0 "[ ]" 1
53 1 6 ASN HD21 1 7 PRO HD2 3.000 3.000 7.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
54 1 6 ASN HD21 1 7 PRO HD3 3.000 3.000 7.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
55 1 6 ASN HD22 1 7 PRO HD2 3.000 3.000 7.000 5.384 5.384 5.384 . 0 0 "[ ]" 1
56 1 6 ASN HD22 1 7 PRO HD3 3.000 3.000 7.000 6.071 6.071 6.071 . 0 0 "[ ]" 1
57 1 7 PRO HA 1 8 HIS H 1.000 . 4.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
58 1 7 PRO HA 1 8 HIS HD2 3.000 3.000 7.000 5.477 5.477 5.477 . 0 0 "[ ]" 1
59 1 7 PRO HA 1 9 CYS H 1.000 . 5.000 4.938 4.938 4.938 . 0 0 "[ ]" 1
60 1 7 PRO QB 1 8 HIS HA . . 4.500 4.545 4.545 4.545 0.045 1 0 "[ ]" 1
61 1 7 PRO HB2 1 8 HIS H 1.000 . 4.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
62 1 7 PRO HB3 1 8 HIS H 1.000 . 4.500 3.653 3.653 3.653 . 0 0 "[ ]" 1
63 1 7 PRO HD2 1 8 HIS H 1.000 . 5.500 2.245 2.245 2.245 . 0 0 "[ ]" 1
64 1 7 PRO HD2 1 9 CYS H 2.000 . 6.000 3.179 3.179 3.179 . 0 0 "[ ]" 1
65 1 7 PRO HD2 1 11 ASN H 1.000 . 5.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
66 1 7 PRO HD3 1 8 HIS H 1.000 . 5.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
67 1 7 PRO HD3 1 9 CYS H 2.000 . 6.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
68 1 7 PRO HD3 1 11 ASN H 1.000 . 5.000 5.103 5.103 5.103 0.103 1 0 "[ ]" 1
69 1 7 PRO QG 1 8 HIS H 1.000 . 5.500 1.815 1.815 1.815 . 0 0 "[ ]" 1
70 1 8 HIS H 1 8 HIS HB2 1.000 . 4.000 3.130 3.130 3.130 . 0 0 "[ ]" 1
71 1 8 HIS H 1 8 HIS HB3 1.000 . 4.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
72 1 8 HIS H 1 8 HIS HD2 2.000 . 6.000 5.329 5.329 5.329 . 0 0 "[ ]" 1
73 1 8 HIS H 1 9 CYS H 1.000 . 3.500 1.691 1.691 1.691 . 0 0 "[ ]" 1
74 1 8 HIS H 1 9 CYS QB 1.000 . 5.500 4.034 4.034 4.034 . 0 0 "[ ]" 1
75 1 8 HIS HA 1 8 HIS HD2 2.000 . 6.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
76 1 8 HIS HA 1 9 CYS H 1.000 . 5.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
77 1 8 HIS HB2 1 9 CYS H 1.000 . 3.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
78 1 8 HIS HB3 1 9 CYS H 1.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
79 1 9 CYS H 1 10 PRO QB 2.000 . 6.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
80 1 9 CYS H 1 12 PRO QB 2.000 . 6.000 5.574 5.574 5.574 . 0 0 "[ ]" 1
81 1 10 PRO HA 1 11 ASN H 1.000 . 3.000 3.263 3.263 3.263 0.263 1 0 "[ ]" 1
82 1 10 PRO HA 1 11 ASN HA 1.000 . 4.500 4.098 4.098 4.098 . 0 0 "[ ]" 1
83 1 10 PRO HA 1 11 ASN HB2 1.000 . 5.000 5.328 5.328 5.328 0.328 1 0 "[ ]" 1
84 1 10 PRO HA 1 11 ASN HB3 1.000 . 5.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
85 1 10 PRO HA 1 12 PRO QD 3.000 3.000 7.000 3.269 3.269 3.269 . 0 0 "[ ]" 1
86 1 11 ASN H 1 11 ASN HB2 1.000 . 4.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
87 1 11 ASN H 1 11 ASN HB3 1.000 . 4.000 2.877 2.877 2.877 . 0 0 "[ ]" 1
88 1 11 ASN H 1 11 ASN HD21 3.000 3.000 7.000 5.100 5.100 5.100 . 0 0 "[ ]" 1
89 1 11 ASN H 1 11 ASN HD22 3.000 3.000 7.000 5.257 5.257 5.257 . 0 0 "[ ]" 1
90 1 11 ASN H 1 12 PRO HD2 1.000 . 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
91 1 11 ASN H 1 12 PRO HD3 1.000 . 5.000 2.882 2.882 2.882 . 0 0 "[ ]" 1
92 1 11 ASN H 1 14 LEU QB 2.000 . 6.000 5.921 5.921 5.921 . 0 0 "[ ]" 1
93 1 11 ASN H 1 14 LEU QD 3.000 3.000 7.500 5.483 5.483 5.483 . 0 0 "[ ]" 1
94 1 11 ASN H 1 15 ASN HB2 2.000 . 6.000 5.557 5.557 5.557 . 0 0 "[ ]" 1
95 1 11 ASN H 1 15 ASN HB3 2.000 . 6.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
96 1 11 ASN H 1 15 ASN HD21 3.000 3.000 7.000 6.207 6.207 6.207 . 0 0 "[ ]" 1
97 1 11 ASN H 1 15 ASN HD22 3.000 3.000 7.000 7.054 7.054 7.054 0.054 1 0 "[ ]" 1
98 1 11 ASN HA 1 11 ASN HD21 3.000 3.000 7.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
99 1 11 ASN HA 1 11 ASN HD22 3.000 3.000 7.000 4.901 4.901 4.901 . 0 0 "[ ]" 1
100 1 11 ASN HA 1 12 PRO HA 1.000 . 4.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
101 1 11 ASN HA 1 12 PRO HB2 1.000 . 5.500 4.621 4.621 4.621 . 0 0 "[ ]" 1
102 1 11 ASN HA 1 12 PRO HB3 1.000 . 5.500 4.249 4.249 4.249 . 0 0 "[ ]" 1
103 1 11 ASN HA 1 12 PRO HD2 1.000 . 3.000 1.797 1.797 1.797 . 0 0 "[ ]" 1
104 1 11 ASN HA 1 12 PRO HD3 1.000 . 3.000 1.472 1.472 1.472 . 0 0 "[ ]" 1
105 1 11 ASN HA 1 12 PRO HG2 1.000 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 1
106 1 11 ASN HA 1 12 PRO HG3 1.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
107 1 11 ASN HA 1 13 TRP H 1.000 . 4.500 1.942 1.942 1.942 . 0 0 "[ ]" 1
108 1 11 ASN HA 1 13 TRP HD1 3.000 3.000 7.500 5.398 5.398 5.398 . 0 0 "[ ]" 1
109 1 11 ASN HA 1 13 TRP HE3 2.000 . 6.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
110 1 11 ASN HA 1 13 TRP HZ2 2.000 . 6.500 5.375 5.375 5.375 . 0 0 "[ ]" 1
111 1 11 ASN HA 1 13 TRP HZ3 2.000 . 6.500 3.361 3.361 3.361 . 0 0 "[ ]" 1
112 1 11 ASN QB 1 13 TRP HA 2.000 . 6.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
113 1 11 ASN HB2 1 11 ASN HD22 1.000 . 4.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
114 1 11 ASN HB2 1 12 PRO QB 2.000 . 6.000 5.486 5.486 5.486 . 0 0 "[ ]" 1
115 1 11 ASN HB2 1 12 PRO HD2 1.000 . 3.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
116 1 11 ASN HB2 1 12 PRO HD3 1.000 . 3.000 3.419 3.419 3.419 0.419 1 0 "[ ]" 1
117 1 11 ASN HB2 1 13 TRP HD1 2.000 . 6.500 5.658 5.658 5.658 . 0 0 "[ ]" 1
118 1 11 ASN HB2 1 13 TRP HE3 1.000 . 5.000 1.392 1.392 1.392 . 0 0 "[ ]" 1
119 1 11 ASN HB2 1 14 LEU QB 2.000 . 6.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
120 1 11 ASN HB2 1 14 LEU QD 2.000 . 6.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
121 1 11 ASN HB3 1 11 ASN HD22 1.000 . 4.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
122 1 11 ASN HB3 1 12 PRO QB 2.000 . 6.000 5.783 5.783 5.783 . 0 0 "[ ]" 1
123 1 11 ASN HB3 1 12 PRO HD2 1.000 . 3.500 3.860 3.860 3.860 0.360 1 0 "[ ]" 1
124 1 11 ASN HB3 1 12 PRO HD3 1.000 . 3.000 3.264 3.264 3.264 0.264 1 0 "[ ]" 1
125 1 11 ASN HB3 1 13 TRP HD1 2.000 . 6.500 6.751 6.751 6.751 0.251 1 0 "[ ]" 1
126 1 11 ASN HB3 1 13 TRP HE3 1.000 . 5.000 2.855 2.855 2.855 . 0 0 "[ ]" 1
127 1 11 ASN HB3 1 14 LEU QB 2.000 . 6.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
128 1 11 ASN HB3 1 14 LEU QD 2.000 . 6.000 4.230 4.230 4.230 . 0 0 "[ ]" 1
129 1 11 ASN QD 1 13 TRP HB2 2.000 . 6.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
130 1 11 ASN QD 1 13 TRP HB3 2.000 . 6.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
131 1 11 ASN QD 1 13 TRP HD1 2.000 . 6.500 6.588 6.588 6.588 0.088 1 0 "[ ]" 1
132 1 11 ASN QD 1 13 TRP HE3 1.000 . 5.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
133 1 11 ASN QD 1 14 LEU HA 3.000 3.000 7.000 5.537 5.537 5.537 . 0 0 "[ ]" 1
134 1 11 ASN QD 1 14 LEU QB . . 5.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
135 1 11 ASN QD 1 14 LEU QD 2.000 . 6.000 1.883 1.883 1.883 0.117 1 0 "[ ]" 1
136 1 12 PRO HA 1 15 ASN HB2 1.000 . 4.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
137 1 12 PRO HA 1 15 ASN HB3 1.000 . 4.500 1.759 1.759 1.759 . 0 0 "[ ]" 1
138 1 12 PRO QB 1 13 TRP HD1 3.000 3.000 7.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
139 1 12 PRO QB 1 13 TRP HA 1.000 . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
140 1 12 PRO QB 1 13 TRP HZ3 3.000 3.000 7.500 6.889 6.889 6.889 . 0 0 "[ ]" 1
141 1 12 PRO QD 1 13 TRP HA 2.000 . 6.000 3.432 3.432 3.432 . 0 0 "[ ]" 1
142 1 12 PRO HD2 1 13 TRP H 1.000 . 3.500 1.287 1.287 1.287 . 0 0 "[ ]" 1
143 1 12 PRO HD2 1 13 TRP HD1 1.000 . 5.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
144 1 12 PRO HD2 1 13 TRP HE3 1.000 . 4.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
145 1 12 PRO HD2 1 13 TRP HH2 2.000 . 6.500 5.421 5.421 5.421 . 0 0 "[ ]" 1
146 1 12 PRO HD2 1 13 TRP HZ3 1.000 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
147 1 12 PRO HD2 1 14 LEU H 1.000 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
148 1 12 PRO HD3 1 13 TRP H 1.000 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
149 1 12 PRO HD3 1 13 TRP HD1 1.000 . 5.500 5.629 5.629 5.629 0.129 1 0 "[ ]" 1
150 1 12 PRO HD3 1 13 TRP HE3 1.000 . 4.500 4.169 4.169 4.169 . 0 0 "[ ]" 1
151 1 12 PRO HD3 1 13 TRP HH2 2.000 . 6.500 5.280 5.280 5.280 . 0 0 "[ ]" 1
152 1 12 PRO HD3 1 13 TRP HZ3 1.000 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
153 1 12 PRO HD3 1 14 LEU H 1.000 . 5.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
154 1 12 PRO QG 1 13 TRP HA 2.000 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
155 1 12 PRO HG2 1 13 TRP HZ3 2.000 . 6.500 6.590 6.590 6.590 0.090 1 0 "[ ]" 1
156 1 12 PRO HG2 1 14 LEU H 3.000 3.000 7.000 5.335 5.335 5.335 . 0 0 "[ ]" 1
157 1 12 PRO HG3 1 13 TRP HZ3 2.000 . 6.500 6.573 6.573 6.573 0.073 1 0 "[ ]" 1
158 1 12 PRO HG3 1 14 LEU H 3.000 3.000 7.000 5.936 5.936 5.936 . 0 0 "[ ]" 1
159 1 13 TRP H 1 13 TRP HB2 1.000 . 4.000 2.450 2.450 2.450 . 0 0 "[ ]" 1
160 1 13 TRP H 1 13 TRP HB3 1.000 . 4.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
161 1 13 TRP H 1 14 LEU H 1.000 . 3.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
162 1 13 TRP HA 1 13 TRP HD1 2.000 . 6.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
163 1 13 TRP HA 1 13 TRP HE3 2.000 . 6.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
164 1 13 TRP HA 1 13 TRP HZ3 3.000 3.000 7.500 6.582 6.582 6.582 . 0 0 "[ ]" 1
165 1 13 TRP HA 1 14 LEU H 1.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
166 1 13 TRP HA 1 14 LEU HA 1.000 . 5.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
167 1 13 TRP HA 1 14 LEU QB 3.000 3.000 7.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
168 1 13 TRP HA 1 14 LEU QD 3.000 3.000 7.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
169 1 13 TRP HA 1 16 GLU QB 2.000 . 6.000 4.624 4.624 4.624 . 0 0 "[ ]" 1
170 1 13 TRP HA 1 16 GLU QG 2.000 . 6.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
171 1 13 TRP HB2 1 13 TRP HZ3 2.000 . 6.500 4.205 4.205 4.205 . 0 0 "[ ]" 1
172 1 13 TRP HB2 1 14 LEU H 1.000 . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
173 1 13 TRP HB2 1 14 LEU QB 2.000 . 6.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
174 1 13 TRP HB3 1 13 TRP HZ3 2.000 . 6.500 5.574 5.574 5.574 . 0 0 "[ ]" 1
175 1 13 TRP HB3 1 14 LEU H 1.000 . 3.500 3.586 3.586 3.586 0.086 1 0 "[ ]" 1
176 1 13 TRP HB3 1 14 LEU QB 2.000 . 6.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
177 1 13 TRP HD1 1 14 LEU HA 2.000 . 6.500 6.541 6.541 6.541 0.041 1 0 "[ ]" 1
178 1 13 TRP HD1 1 14 LEU QD 3.000 3.000 8.000 4.976 4.976 4.976 . 0 0 "[ ]" 1
179 1 13 TRP HD1 1 16 GLU QG 3.000 3.000 8.500 6.611 6.611 6.611 . 0 0 "[ ]" 1
180 1 13 TRP HZ3 1 14 LEU HA 3.000 3.000 8.000 8.220 8.220 8.220 0.220 1 0 "[ ]" 1
181 1 14 LEU H 1 14 LEU QD 2.000 . 6.500 2.616 2.616 2.616 . 0 0 "[ ]" 1
182 1 14 LEU H 1 15 ASN H 1.000 . 3.000 1.905 1.905 1.905 . 0 0 "[ ]" 1
183 1 14 LEU H 1 15 ASN QB 2.000 . 6.000 3.279 3.279 3.279 . 0 0 "[ ]" 1
184 1 14 LEU HA 1 14 LEU QD 2.000 . 6.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
185 1 14 LEU HA 1 15 ASN H 1.000 . 3.000 3.163 3.163 3.163 0.163 1 0 "[ ]" 1
186 1 14 LEU HA 1 15 ASN HA 1.000 . 5.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
187 1 14 LEU HA 1 15 ASN HB2 2.000 . 6.000 5.918 5.918 5.918 . 0 0 "[ ]" 1
188 1 14 LEU HA 1 15 ASN HB3 2.000 . 6.000 4.898 4.898 4.898 . 0 0 "[ ]" 1
189 1 14 LEU HA 1 15 ASN HD21 3.000 3.000 7.000 5.502 5.502 5.502 . 0 0 "[ ]" 1
190 1 14 LEU HA 1 15 ASN HD22 3.000 3.000 7.000 6.956 6.956 6.956 . 0 0 "[ ]" 1
191 1 14 LEU HA 1 16 GLU H 1.000 . 3.500 3.723 3.723 3.723 0.223 1 0 "[ ]" 1
192 1 14 LEU QB 1 15 ASN HA 2.000 . 6.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
193 1 14 LEU QD 1 15 ASN HA 2.000 . 6.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
194 1 14 LEU HG 1 15 ASN HA 1.000 . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
195 1 15 ASN H 1 15 ASN HB2 1.000 . 4.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
196 1 15 ASN H 1 15 ASN HB3 1.000 . 4.000 1.885 1.885 1.885 . 0 0 "[ ]" 1
197 1 15 ASN H 1 15 ASN HD21 3.000 3.000 7.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
198 1 15 ASN H 1 15 ASN HD22 3.000 3.000 7.000 4.943 4.943 4.943 . 0 0 "[ ]" 1
199 1 15 ASN H 1 16 GLU H 1.000 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
200 1 15 ASN H 1 16 GLU QB 3.000 3.000 7.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
201 1 15 ASN H 1 16 GLU QG 3.000 3.000 7.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
202 1 15 ASN HA 1 15 ASN HD21 2.000 . 6.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
203 1 15 ASN HA 1 16 GLU H 1.000 . 3.000 3.173 3.173 3.173 0.173 1 0 "[ ]" 1
204 1 15 ASN HA 1 16 GLU HA 1.000 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
205 1 15 ASN HA 1 16 GLU QB 1.000 . 5.500 4.867 4.867 4.867 . 0 0 "[ ]" 1
206 1 15 ASN HA 1 16 GLU QG 3.000 3.000 8.000 5.530 5.530 5.530 . 0 0 "[ ]" 1
207 1 15 ASN HB2 1 16 GLU H 1.000 . 3.000 3.288 3.288 3.288 0.288 1 0 "[ ]" 1
208 1 15 ASN HB2 1 16 GLU HA 1.000 . 4.500 4.745 4.745 4.745 0.245 1 0 "[ ]" 1
209 1 15 ASN HB2 1 16 GLU QB 2.000 . 6.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
210 1 15 ASN HB2 1 16 GLU QG 3.000 3.000 7.000 6.093 6.093 6.093 . 0 0 "[ ]" 1
211 1 15 ASN HB2 1 19 VAL HB 3.000 3.000 7.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
212 1 15 ASN HB2 1 19 VAL MG1 2.000 . 6.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
213 1 15 ASN HB2 1 19 VAL MG2 2.000 . 6.500 2.324 2.324 2.324 . 0 0 "[ ]" 1
214 1 15 ASN HB3 1 16 GLU H 1.000 . 3.000 2.208 2.208 2.208 . 0 0 "[ ]" 1
215 1 15 ASN HB3 1 16 GLU HA 1.000 . 4.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
216 1 15 ASN HB3 1 16 GLU QB 2.000 . 6.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
217 1 15 ASN HB3 1 16 GLU QG 3.000 3.000 7.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
218 1 15 ASN HB3 1 19 VAL HB 3.000 3.000 7.000 4.745 4.745 4.745 . 0 0 "[ ]" 1
219 1 15 ASN HB3 1 19 VAL MG1 2.000 . 6.500 5.072 5.072 5.072 . 0 0 "[ ]" 1
220 1 15 ASN HB3 1 19 VAL MG2 2.000 . 6.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
221 1 15 ASN HD21 1 19 VAL HB 2.000 . 6.000 4.318 4.318 4.318 . 0 0 "[ ]" 1
222 1 15 ASN HD21 1 19 VAL MG1 2.000 . 6.500 5.049 5.049 5.049 . 0 0 "[ ]" 1
223 1 15 ASN HD21 1 19 VAL MG2 2.000 . 6.500 4.172 4.172 4.172 . 0 0 "[ ]" 1
224 1 15 ASN HD21 1 20 LYS HG2 2.000 . 6.000 4.896 4.896 4.896 . 0 0 "[ ]" 1
225 1 15 ASN HD21 1 20 LYS HG3 2.000 . 6.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
226 1 15 ASN HD22 1 19 VAL HB 2.000 . 6.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
227 1 15 ASN HD22 1 19 VAL MG1 2.000 . 6.500 4.133 4.133 4.133 . 0 0 "[ ]" 1
228 1 15 ASN HD22 1 19 VAL MG2 2.000 . 6.500 4.106 4.106 4.106 . 0 0 "[ ]" 1
229 1 15 ASN HD22 1 20 LYS HG2 2.000 . 6.000 4.325 4.325 4.325 . 0 0 "[ ]" 1
230 1 15 ASN HD22 1 20 LYS HG3 2.000 . 6.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
231 1 16 GLU H 1 16 GLU QG 1.000 . 5.000 3.118 3.118 3.118 . 0 0 "[ ]" 1
232 1 16 GLU H 1 17 ASP H 1.000 . 4.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
233 1 16 GLU HA 1 17 ASP H 1.000 . 4.000 3.438 3.438 3.438 . 0 0 "[ ]" 1
234 1 16 GLU HA 1 18 LEU H 1.000 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 1
235 1 16 GLU HA 1 18 LEU QB 2.000 . 6.000 5.799 5.799 5.799 . 0 0 "[ ]" 1
236 1 16 GLU HA 1 19 VAL H 1.000 . 3.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
237 1 16 GLU HA 1 19 VAL MG1 2.000 . 6.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
238 1 16 GLU HA 1 19 VAL MG2 2.000 . 6.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
239 1 16 GLU QB 1 18 LEU H 3.000 3.000 7.000 4.712 4.712 4.712 . 0 0 "[ ]" 1
240 1 16 GLU QG 1 17 ASP H 1.000 . 4.500 2.257 2.257 2.257 . 0 0 "[ ]" 1
241 1 16 GLU QG 1 18 LEU H 3.000 3.000 7.000 4.289 4.289 4.289 . 0 0 "[ ]" 1
242 1 17 ASP H 1 18 LEU H 1.000 . 5.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
243 1 17 ASP H 1 19 VAL H 2.000 . 6.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
244 1 17 ASP HA 1 18 LEU H 1.000 . 4.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
245 1 18 LEU H 1 18 LEU QB 3.000 3.000 7.000 2.833 2.833 2.833 0.167 1 0 "[ ]" 1
246 1 18 LEU H 1 18 LEU QD 2.000 . 6.500 3.710 3.710 3.710 . 0 0 "[ ]" 1
247 1 18 LEU H 1 19 VAL QG 3.000 3.000 8.000 2.915 2.915 2.915 0.085 1 0 "[ ]" 1
248 1 18 LEU HA 1 18 LEU QD 2.000 . 6.500 1.751 1.751 1.751 0.249 1 0 "[ ]" 1
249 1 18 LEU HA 1 18 LEU HG 2.000 . 6.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
250 1 18 LEU HA 1 19 VAL H 1.000 . 3.000 3.062 3.062 3.062 0.062 1 0 "[ ]" 1
251 1 18 LEU HA 1 20 LYS HA 2.000 . 6.000 6.058 6.058 6.058 0.058 1 0 "[ ]" 1
252 1 18 LEU QD 1 19 VAL QG 2.000 . 6.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
253 1 19 VAL H 1 19 VAL HB 1.000 . 4.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
254 1 19 VAL H 1 20 LYS H 1.000 . 3.500 1.800 1.800 1.800 . 0 0 "[ ]" 1
255 1 19 VAL HA 1 20 LYS H 1.000 . 3.000 3.103 3.103 3.103 0.103 1 0 "[ ]" 1
256 1 19 VAL HA 1 20 LYS HA 1.000 . 5.000 4.835 4.835 4.835 . 0 0 "[ ]" 1
257 1 19 VAL HA 1 20 LYS QB 2.000 . 6.000 5.227 5.227 5.227 . 0 0 "[ ]" 1
258 1 19 VAL HA 1 20 LYS QD 1.000 . 4.500 4.056 4.056 4.056 . 0 0 "[ ]" 1
259 1 19 VAL HA 1 20 LYS QG 1.000 . 4.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
260 1 19 VAL HA 1 22 LEU H 1.000 . 3.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
261 1 19 VAL HB 1 21 SER H 1.000 . 5.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
262 1 19 VAL HB 1 23 ARG HE 1.000 . 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
263 1 19 VAL MG1 1 23 ARG HE 2.000 . 6.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
264 1 19 VAL MG2 1 23 ARG HE 2.000 . 6.500 5.499 5.499 5.499 . 0 0 "[ ]" 1
265 1 20 LYS H 1 20 LYS QD 1.000 . 5.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
266 1 20 LYS H 1 20 LYS QG 1.000 . 5.000 1.257 1.257 1.257 . 0 0 "[ ]" 1
267 1 20 LYS H 1 21 SER H 1.000 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
268 1 20 LYS H 1 22 LEU H 1.000 . 4.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
269 1 20 LYS H 1 23 ARG QD 1.000 . 5.500 3.314 3.314 3.314 . 0 0 "[ ]" 1
270 1 20 LYS HA 1 20 LYS QD 3.000 3.000 7.000 2.161 2.161 2.161 0.839 1 1 [+] 1
271 1 20 LYS HA 1 20 LYS QG 3.000 3.000 7.000 3.222 3.222 3.222 . 0 0 "[ ]" 1
272 1 20 LYS QE 1 23 ARG HA 3.000 3.000 7.000 6.107 6.107 6.107 . 0 0 "[ ]" 1
273 1 21 SER H 1 21 SER QB 3.000 3.000 7.000 2.672 2.672 2.672 0.328 1 0 "[ ]" 1
274 1 21 SER H 1 22 LEU H 1.000 . 5.000 2.404 2.404 2.404 . 0 0 "[ ]" 1
275 1 21 SER H 1 23 ARG HB2 1.000 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
276 1 21 SER H 1 23 ARG HB3 1.000 . 5.000 5.170 5.170 5.170 0.170 1 0 "[ ]" 1
277 1 21 SER H 1 23 ARG QG 2.000 . 6.000 5.312 5.312 5.312 . 0 0 "[ ]" 1
278 1 21 SER HA 1 22 LEU H 1.000 . 3.000 3.304 3.304 3.304 0.304 1 0 "[ ]" 1
279 1 21 SER HA 1 25 ASN HB2 1.000 . 5.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
280 1 21 SER HA 1 25 ASN HB3 1.000 . 5.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
281 1 22 LEU HA 1 22 LEU QD 3.000 3.000 7.500 3.067 3.067 3.067 . 0 0 "[ ]" 1
282 1 22 LEU HA 1 23 ARG H 1.000 . 4.000 2.853 2.853 2.853 . 0 0 "[ ]" 1
283 1 22 LEU HA 1 25 ASN HB2 2.000 . 6.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
284 1 22 LEU HA 1 25 ASN HB3 2.000 . 6.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
285 1 22 LEU QB 1 23 ARG HD2 3.000 3.000 7.000 5.437 5.437 5.437 . 0 0 "[ ]" 1
286 1 22 LEU QB 1 23 ARG HD3 3.000 3.000 7.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
287 1 22 LEU QD 1 23 ARG HA 2.000 . 6.500 4.193 4.193 4.193 . 0 0 "[ ]" 1
288 1 22 LEU QD 1 23 ARG HD2 2.000 . 6.500 4.051 4.051 4.051 . 0 0 "[ ]" 1
289 1 22 LEU QD 1 23 ARG HD3 2.000 . 6.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
290 1 23 ARG H 1 23 ARG QD 1.000 . 5.500 4.850 4.850 4.850 . 0 0 "[ ]" 1
291 1 23 ARG H 1 24 GLU H 1.000 . 4.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
292 1 23 ARG H 1 24 GLU QG 2.000 . 6.000 5.165 5.165 5.165 . 0 0 "[ ]" 1
293 1 23 ARG H 1 25 ASN HB2 1.000 . 3.500 3.869 3.869 3.869 0.369 1 0 "[ ]" 1
294 1 23 ARG H 1 25 ASN HB3 1.000 . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
295 1 23 ARG H 1 28 GLN QG 2.000 . 6.000 5.413 5.413 5.413 . 0 0 "[ ]" 1
296 1 23 ARG HA 1 23 ARG QD 1.000 . 5.000 4.106 4.106 4.106 . 0 0 "[ ]" 1
297 1 23 ARG HA 1 23 ARG QG 1.000 . 4.000 2.278 2.278 2.278 . 0 0 "[ ]" 1
298 1 23 ARG HA 1 24 GLU H 1.000 . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1
299 1 23 ARG HA 1 24 GLU QB 1.000 . 5.500 5.000 5.000 5.000 . 0 0 "[ ]" 1
300 1 23 ARG HA 1 25 ASN HA 2.000 . 6.000 5.969 5.969 5.969 . 0 0 "[ ]" 1
301 1 23 ARG HA 1 25 ASN HD21 2.000 . 6.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
302 1 23 ARG HA 1 25 ASN HD22 2.000 . 6.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
303 1 23 ARG HA 1 26 LEU H 1.000 . 3.500 3.828 3.828 3.828 0.328 1 0 "[ ]" 1
304 1 23 ARG HA 1 28 GLN QG 3.000 3.000 7.000 5.788 5.788 5.788 . 0 0 "[ ]" 1
305 1 23 ARG HB2 1 23 ARG HE 1.000 . 4.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
306 1 23 ARG HB2 1 25 ASN HB2 3.000 3.000 7.000 6.496 6.496 6.496 . 0 0 "[ ]" 1
307 1 23 ARG HB2 1 25 ASN HB3 3.000 3.000 7.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
308 1 23 ARG HB3 1 23 ARG HE 1.000 . 4.500 2.197 2.197 2.197 . 0 0 "[ ]" 1
309 1 23 ARG HB3 1 25 ASN HB2 3.000 3.000 7.000 7.032 7.032 7.032 0.032 1 0 "[ ]" 1
310 1 23 ARG HB3 1 25 ASN HB3 3.000 3.000 7.000 5.763 5.763 5.763 . 0 0 "[ ]" 1
311 1 24 GLU H 1 24 GLU HB2 1.000 . 4.000 2.973 2.973 2.973 . 0 0 "[ ]" 1
312 1 24 GLU H 1 24 GLU HB3 1.000 . 4.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
313 1 24 GLU H 1 24 GLU QG 1.000 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
314 1 24 GLU H 1 25 ASN H 1.000 . 4.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
315 1 24 GLU H 1 25 ASN QB 2.000 . 6.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
316 1 24 GLU HA 1 25 ASN H 1.000 . 4.000 2.584 2.584 2.584 . 0 0 "[ ]" 1
317 1 24 GLU HA 1 25 ASN HA 1.000 . 4.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
318 1 24 GLU HA 1 25 ASN HB2 2.000 . 6.000 5.723 5.723 5.723 . 0 0 "[ ]" 1
319 1 24 GLU HA 1 25 ASN HB3 2.000 . 6.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
320 1 24 GLU HA 1 25 ASN HD21 1.000 . 5.500 5.589 5.589 5.589 0.089 1 0 "[ ]" 1
321 1 24 GLU HA 1 25 ASN HD22 1.000 . 5.500 5.743 5.743 5.743 0.243 1 0 "[ ]" 1
322 1 24 GLU QB 1 25 ASN HA 1.000 . 5.500 4.921 4.921 4.921 . 0 0 "[ ]" 1
323 1 24 GLU QG 1 25 ASN HA 1.000 . 5.000 3.969 3.969 3.969 . 0 0 "[ ]" 1
324 1 24 GLU QG 1 28 GLN HA 1.000 . 5.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
325 1 24 GLU QG 1 28 GLN HE21 2.000 . 6.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
326 1 24 GLU QG 1 28 GLN HE22 2.000 . 6.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
327 1 25 ASN H 1 25 ASN HA 3.000 3.000 7.000 2.900 2.900 2.900 0.100 1 0 "[ ]" 1
328 1 25 ASN H 1 25 ASN HB2 1.000 . 4.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
329 1 25 ASN H 1 25 ASN HB3 1.000 . 4.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
330 1 25 ASN H 1 25 ASN HD21 3.000 3.000 7.000 3.197 3.197 3.197 . 0 0 "[ ]" 1
331 1 25 ASN H 1 25 ASN HD22 3.000 3.000 7.000 3.343 3.343 3.343 . 0 0 "[ ]" 1
332 1 25 ASN H 1 26 LEU H 1.000 . 3.000 1.716 1.716 1.716 . 0 0 "[ ]" 1
333 1 25 ASN H 1 27 LEU QB 2.000 . 6.000 5.411 5.411 5.411 . 0 0 "[ ]" 1
334 1 25 ASN H 1 28 GLN QB 2.000 . 6.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
335 1 25 ASN H 1 28 GLN QG 2.000 . 6.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
336 1 25 ASN HA 1 25 ASN HD22 1.000 . 5.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
337 1 25 ASN HA 1 26 LEU H 1.000 . 3.000 3.144 3.144 3.144 0.144 1 0 "[ ]" 1
338 1 25 ASN HA 1 26 LEU HA 1.000 . 4.500 4.694 4.694 4.694 0.194 1 0 "[ ]" 1
339 1 25 ASN HA 1 28 GLN H 1.000 . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
340 1 25 ASN HA 1 28 GLN HB2 1.000 . 4.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
341 1 25 ASN HA 1 28 GLN HB3 1.000 . 4.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
342 1 25 ASN HA 1 28 GLN HG2 1.000 . 4.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
343 1 25 ASN HA 1 28 GLN HG3 1.000 . 4.500 3.851 3.851 3.851 . 0 0 "[ ]" 1
344 1 25 ASN HA 1 29 HIS QB 2.000 . 6.000 2.103 2.103 2.103 . 0 0 "[ ]" 1
345 1 25 ASN HA 1 29 HIS HD2 2.000 . 6.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
346 1 25 ASN QB 1 27 LEU H 2.000 . 6.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
347 1 25 ASN QB 1 29 HIS HA 2.000 . 6.000 3.072 3.072 3.072 . 0 0 "[ ]" 1
348 1 25 ASN HB2 1 26 LEU H 1.000 . 4.000 4.161 4.161 4.161 0.161 1 0 "[ ]" 1
349 1 25 ASN HB2 1 26 LEU QD 2.000 . 6.000 4.156 4.156 4.156 . 0 0 "[ ]" 1
350 1 25 ASN HB2 1 28 GLN H 3.000 3.000 7.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
351 1 25 ASN HB2 1 28 GLN HA 2.000 . 6.000 6.054 6.054 6.054 0.054 1 0 "[ ]" 1
352 1 25 ASN HB2 1 28 GLN HG2 2.000 . 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
353 1 25 ASN HB2 1 28 GLN HG3 2.000 . 6.000 6.004 6.004 6.004 0.004 1 0 "[ ]" 1
354 1 25 ASN HB2 1 29 HIS HD1 2.000 . 6.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
355 1 25 ASN HB3 1 26 LEU H 1.000 . 4.000 3.976 3.976 3.976 . 0 0 "[ ]" 1
356 1 25 ASN HB3 1 26 LEU QD 2.000 . 6.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
357 1 25 ASN HB3 1 28 GLN H 3.000 3.000 7.000 4.548 4.548 4.548 . 0 0 "[ ]" 1
358 1 25 ASN HB3 1 28 GLN HA 2.000 . 6.000 6.194 6.194 6.194 0.194 1 0 "[ ]" 1
359 1 25 ASN HB3 1 28 GLN HG2 2.000 . 6.000 4.818 4.818 4.818 . 0 0 "[ ]" 1
360 1 25 ASN HB3 1 28 GLN HG3 2.000 . 6.000 5.247 5.247 5.247 . 0 0 "[ ]" 1
361 1 25 ASN HB3 1 29 HIS HD2 2.000 . 6.000 5.973 5.973 5.973 . 0 0 "[ ]" 1
362 1 25 ASN QD 1 26 LEU H 3.000 3.000 7.000 2.811 2.811 2.811 0.189 1 0 "[ ]" 1
363 1 25 ASN QD 1 29 HIS HA 3.000 3.000 7.000 5.234 5.234 5.234 . 0 0 "[ ]" 1
364 1 25 ASN HD21 1 27 LEU QB 3.000 3.000 7.000 5.624 5.624 5.624 . 0 0 "[ ]" 1
365 1 25 ASN HD21 1 29 HIS HE1 2.000 . 6.000 5.026 5.026 5.026 . 0 0 "[ ]" 1
366 1 25 ASN HD22 1 27 LEU QB 3.000 3.000 7.000 6.632 6.632 6.632 . 0 0 "[ ]" 1
367 1 25 ASN HD22 1 29 HIS HE1 2.000 . 6.000 6.086 6.086 6.086 0.086 1 0 "[ ]" 1
368 1 26 LEU H 1 27 LEU H 1.000 . 5.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
369 1 26 LEU H 1 28 GLN H 1.000 . 5.000 3.162 3.162 3.162 . 0 0 "[ ]" 1
370 1 26 LEU H 1 29 HIS QB 1.000 . 5.500 4.088 4.088 4.088 . 0 0 "[ ]" 1
371 1 26 LEU H 1 30 GLU QG 2.000 . 6.000 5.480 5.480 5.480 . 0 0 "[ ]" 1
372 1 26 LEU HA 1 26 LEU QD 3.000 3.000 7.000 1.757 1.757 1.757 1.243 1 1 [+] 1
373 1 26 LEU HA 1 27 LEU H 1.000 . 5.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
374 1 26 LEU HA 1 29 HIS QB 3.000 3.000 7.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
375 1 26 LEU QD 1 29 HIS QB 3.000 3.000 7.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
376 1 27 LEU H 1 27 LEU HA 3.000 3.000 7.000 2.942 2.942 2.942 0.058 1 0 "[ ]" 1
377 1 27 LEU H 1 27 LEU HG 1.000 . 4.000 2.166 2.166 2.166 . 0 0 "[ ]" 1
378 1 27 LEU H 1 28 GLN H 1.000 . 4.500 1.715 1.715 1.715 . 0 0 "[ ]" 1
379 1 27 LEU HA 1 28 GLN H 1.000 . 4.500 3.044 3.044 3.044 . 0 0 "[ ]" 1
380 1 27 LEU HA 1 29 HIS H 2.000 . 6.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
381 1 27 LEU HA 1 29 HIS QB 1.000 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
382 1 27 LEU QB 1 29 HIS QB 3.000 3.000 8.000 5.262 5.262 5.262 . 0 0 "[ ]" 1
383 1 27 LEU QB 1 28 GLN H 2.000 . 6.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
384 1 27 LEU QB 1 28 GLN HE21 3.000 3.000 7.000 4.210 4.210 4.210 . 0 0 "[ ]" 1
385 1 27 LEU QB 1 28 GLN HE22 3.000 3.000 7.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
386 1 27 LEU HB2 1 29 HIS HD2 2.000 . 6.000 4.694 4.694 4.694 . 0 0 "[ ]" 1
387 1 27 LEU HB3 1 29 HIS HD2 2.000 . 6.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
388 1 27 LEU QD 1 28 GLN H 1.000 . 5.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
389 1 27 LEU HG 1 28 GLN H 2.000 . 6.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
390 1 27 LEU HG 1 28 GLN HE21 2.000 . 6.000 3.349 3.349 3.349 . 0 0 "[ ]" 1
391 1 27 LEU HG 1 28 GLN HE22 2.000 . 6.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
392 1 28 GLN H 1 28 GLN HB2 1.000 . 4.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
393 1 28 GLN H 1 28 GLN HB3 1.000 . 4.000 3.678 3.678 3.678 . 0 0 "[ ]" 1
394 1 28 GLN H 1 28 GLN HG2 1.000 . 4.000 1.749 1.749 1.749 . 0 0 "[ ]" 1
395 1 28 GLN H 1 28 GLN HG3 1.000 . 4.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
396 1 28 GLN H 1 29 HIS H 1.000 . 4.500 1.803 1.803 1.803 . 0 0 "[ ]" 1
397 1 28 GLN H 1 29 HIS HA 1.000 . 4.500 4.445 4.445 4.445 . 0 0 "[ ]" 1
398 1 28 GLN H 1 29 HIS QB 1.000 . 4.500 3.306 3.306 3.306 . 0 0 "[ ]" 1
399 1 28 GLN HA 1 28 GLN HE21 2.000 . 6.000 1.984 1.984 1.984 0.016 1 0 "[ ]" 1
400 1 28 GLN HA 1 28 GLN HE22 2.000 . 6.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
401 1 28 GLN HA 1 28 GLN HG2 1.000 . 4.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
402 1 28 GLN HA 1 28 GLN HG3 1.000 . 4.500 4.090 4.090 4.090 . 0 0 "[ ]" 1
403 1 28 GLN HA 1 29 HIS H 1.000 . 3.500 3.178 3.178 3.178 . 0 0 "[ ]" 1
404 1 28 GLN HA 1 29 HIS HD2 2.000 . 6.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
405 1 28 GLN HA 1 34 THR HB 1.000 . 5.500 5.582 5.582 5.582 0.082 1 0 "[ ]" 1
406 1 28 GLN HA 1 34 THR HG1 1.000 . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
407 1 28 GLN QB 1 29 HIS HA 1.000 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
408 1 28 GLN HB2 1 28 GLN HE21 2.000 . 6.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
409 1 28 GLN HB3 1 28 GLN HE21 2.000 . 6.000 1.994 1.994 1.994 0.006 1 0 "[ ]" 1
410 1 28 GLN QG 1 29 HIS HA 2.000 . 6.000 5.285 5.285 5.285 . 0 0 "[ ]" 1
411 1 28 GLN QG 1 29 HIS HD2 1.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
412 1 28 GLN HG2 1 29 HIS H 1.000 . 5.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
413 1 28 GLN HG3 1 29 HIS H 1.000 . 5.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
414 1 29 HIS H 1 29 HIS HD2 2.000 . 6.000 2.395 2.395 2.395 . 0 0 "[ ]" 1
415 1 29 HIS H 1 30 GLU H 1.000 . 3.500 2.184 2.184 2.184 . 0 0 "[ ]" 1
416 1 29 HIS HA 1 29 HIS HD2 1.000 . 4.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
417 1 29 HIS HA 1 29 HIS HE1 3.000 3.000 7.000 6.519 6.519 6.519 . 0 0 "[ ]" 1
418 1 29 HIS HA 1 30 GLU H 1.000 . 3.000 3.077 3.077 3.077 0.077 1 0 "[ ]" 1
419 1 29 HIS HA 1 31 LYS H 1.000 . 3.500 3.589 3.589 3.589 0.089 1 0 "[ ]" 1
420 1 29 HIS QB 1 30 GLU H 1.000 . 4.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
421 1 29 HIS QB 1 30 GLU HA 3.000 3.000 7.000 4.950 4.950 4.950 . 0 0 "[ ]" 1
422 1 29 HIS QB 1 30 GLU HG2 3.000 3.000 7.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
423 1 29 HIS QB 1 30 GLU HG3 3.000 3.000 7.000 5.230 5.230 5.230 . 0 0 "[ ]" 1
424 1 29 HIS HD2 1 30 GLU H 1.000 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
425 1 29 HIS HD2 1 30 GLU HA 1.000 . 4.500 4.028 4.028 4.028 . 0 0 "[ ]" 1
426 1 29 HIS HD2 1 30 GLU HB2 1.000 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
427 1 29 HIS HD2 1 30 GLU HB3 1.000 . 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
428 1 29 HIS HD2 1 30 GLU QG 2.000 . 6.000 1.667 1.667 1.667 0.333 1 0 "[ ]" 1
429 1 29 HIS HD2 1 31 LYS H 3.000 3.000 7.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
430 1 30 GLU H 1 30 GLU HB2 1.000 . 4.000 2.532 2.532 2.532 . 0 0 "[ ]" 1
431 1 30 GLU H 1 30 GLU HB3 1.000 . 4.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
432 1 30 GLU H 1 30 GLU QG 1.000 . 5.000 1.783 1.783 1.783 . 0 0 "[ ]" 1
433 1 30 GLU H 1 31 LYS H 1.000 . 5.000 1.721 1.721 1.721 . 0 0 "[ ]" 1
434 1 30 GLU H 1 35 ALA MB 2.000 . 6.000 5.119 5.119 5.119 . 0 0 "[ ]" 1
435 1 30 GLU HA 1 31 LYS H 1.000 . 4.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
436 1 30 GLU HA 1 34 THR MG 3.000 3.000 7.500 3.480 3.480 3.480 . 0 0 "[ ]" 1
437 1 30 GLU QB 1 33 LYS H 3.000 3.000 7.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
438 1 30 GLU QG 1 33 LYS H 3.000 3.000 7.000 5.531 5.531 5.531 . 0 0 "[ ]" 1
439 1 30 GLU HG2 1 34 THR MG 3.000 3.000 7.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
440 1 30 GLU HG3 1 34 THR MG 3.000 3.000 7.500 4.172 4.172 4.172 . 0 0 "[ ]" 1
441 1 31 LYS H 1 32 SER H 1.000 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
442 1 31 LYS H 1 33 LYS H 3.000 3.000 7.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
443 1 31 LYS HA 1 32 SER H 1.000 . 3.000 3.241 3.241 3.241 0.241 1 0 "[ ]" 1
444 1 31 LYS HA 1 34 THR MG 2.000 . 6.500 1.789 1.789 1.789 0.211 1 0 "[ ]" 1
445 1 32 SER H 1 33 LYS H 1.000 . 3.500 2.957 2.957 2.957 . 0 0 "[ ]" 1
446 1 32 SER HA 1 33 LYS H 1.000 . 3.000 3.317 3.317 3.317 0.317 1 0 "[ ]" 1
447 1 32 SER HA 1 34 THR H 1.000 . 3.500 3.593 3.593 3.593 0.093 1 0 "[ ]" 1
448 1 32 SER HA 1 35 ALA H 1.000 . 3.500 3.596 3.596 3.596 0.096 1 0 "[ ]" 1
449 1 33 LYS H 1 33 LYS HB2 1.000 . 4.000 2.654 2.654 2.654 . 0 0 "[ ]" 1
450 1 33 LYS H 1 33 LYS HB3 1.000 . 4.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
451 1 33 LYS H 1 33 LYS QD 1.000 . 5.000 1.746 1.746 1.746 . 0 0 "[ ]" 1
452 1 33 LYS H 1 33 LYS QG 1.000 . 5.000 2.538 2.538 2.538 . 0 0 "[ ]" 1
453 1 33 LYS H 1 34 THR H 1.000 . 4.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
454 1 33 LYS H 1 34 THR MG 2.000 . 6.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
455 1 33 LYS HA 1 33 LYS QE 1.000 . 5.500 4.078 4.078 4.078 . 0 0 "[ ]" 1
456 1 33 LYS HA 1 34 THR H 1.000 . 3.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
457 1 33 LYS HA 1 35 ALA H 1.000 . 4.500 4.528 4.528 4.528 0.028 1 0 "[ ]" 1
458 1 33 LYS HA 1 36 ARG HE 2.000 . 6.000 4.288 4.288 4.288 . 0 0 "[ ]" 1
459 1 33 LYS QD 1 36 ARG HE 1.000 . 5.500 4.843 4.843 4.843 . 0 0 "[ ]" 1
460 1 33 LYS QE 1 34 THR MG 2.000 . 6.500 4.631 4.631 4.631 . 0 0 "[ ]" 1
461 1 33 LYS QG 1 36 ARG HE 1.000 . 5.500 4.030 4.030 4.030 . 0 0 "[ ]" 1
462 1 34 THR H 1 34 THR HB 1.000 . 4.000 3.115 3.115 3.115 . 0 0 "[ ]" 1
463 1 34 THR H 1 34 THR MG 2.000 . 6.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
464 1 34 THR H 1 35 ALA H 1.000 . 3.500 1.806 1.806 1.806 . 0 0 "[ ]" 1
465 1 34 THR H 1 36 ARG H 1.000 . 5.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
466 1 34 THR H 1 37 LYS QB 2.000 . 6.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
467 1 34 THR H 1 37 LYS QD 2.000 . 6.000 5.129 5.129 5.129 . 0 0 "[ ]" 1
468 1 34 THR HA 1 35 ALA H 1.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
469 1 34 THR HA 1 36 ARG H 1.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
470 1 34 THR MG 1 35 ALA H 1.000 . 4.500 1.685 1.685 1.685 . 0 0 "[ ]" 1
471 1 34 THR MG 1 36 ARG H 2.000 . 6.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
472 1 34 THR MG 1 36 ARG QB 2.000 . 6.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
473 1 34 THR MG 1 36 ARG QG 2.000 . 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
474 1 35 ALA H 1 36 ARG H 1.000 . 3.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
475 1 35 ALA H 1 36 ARG HB2 3.000 3.000 7.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
476 1 35 ALA H 1 36 ARG QB 1.000 . 3.500 3.046 3.046 3.046 . 0 0 "[ ]" 1
477 1 35 ALA H 1 36 ARG HB3 3.000 3.000 7.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
478 1 35 ALA H 1 36 ARG QG 2.000 . 6.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
479 1 35 ALA HA 1 36 ARG H 1.000 . 5.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
480 1 35 ALA MB 1 36 ARG H 1.000 . 4.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
481 1 36 ARG H 1 37 LYS H 1.000 . 4.500 1.789 1.789 1.789 . 0 0 "[ ]" 1
482 1 36 ARG HA 1 37 LYS H 1.000 . 3.500 3.339 3.339 3.339 . 0 0 "[ ]" 1
483 1 36 ARG QB 1 37 LYS HA 2.000 . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
484 1 36 ARG HB2 1 36 ARG HE 1.000 . 4.500 3.908 3.908 3.908 . 0 0 "[ ]" 1
485 1 36 ARG HB3 1 36 ARG HE 1.000 . 4.500 4.309 4.309 4.309 . 0 0 "[ ]" 1
486 1 36 ARG QD 1 37 LYS H 2.000 . 6.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
487 1 37 LYS H 1 37 LYS QD 1.000 . 5.500 4.374 4.374 4.374 . 0 0 "[ ]" 1
488 1 37 LYS H 1 38 SER H 1.000 . 3.000 3.043 3.043 3.043 0.043 1 0 "[ ]" 1
489 1 37 LYS HA 1 38 SER H 1.000 . 3.000 3.259 3.259 3.259 0.259 1 0 "[ ]" 1
490 1 37 LYS HB2 1 38 SER H 1.000 . 3.500 3.235 3.235 3.235 . 0 0 "[ ]" 1
491 1 37 LYS HB3 1 38 SER H 1.000 . 3.500 1.821 1.821 1.821 . 0 0 "[ ]" 1
492 1 37 LYS QD 1 38 SER H 1.000 . 4.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
493 1 37 LYS QG 1 38 SER H 1.000 . 4.500 1.861 1.861 1.861 . 0 0 "[ ]" 1
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