NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384008 |
1k8m   |
5078 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k8m
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 875
_Distance_constraint_stats_list.Viol_count 68
_Distance_constraint_stats_list.Viol_total 15.071
_Distance_constraint_stats_list.Viol_max 1.187
_Distance_constraint_stats_list.Viol_rms 0.0880
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0172
_Distance_constraint_stats_list.Viol_average_violations_only 0.2216
_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 3 GLN 0.203 0.203 1 0 "[ ]"
1 4 VAL 0.665 0.295 1 0 "[ ]"
1 5 VAL 0.600 0.600 1 1 [+]
1 6 GLN 0.420 0.295 1 0 "[ ]"
1 7 PHE 0.106 0.059 1 0 "[ ]"
1 8 LYS 0.365 0.230 1 0 "[ ]"
1 9 LEU 1.297 0.629 1 1 [+]
1 10 SER 0.000 0.000 . 0 "[ ]"
1 11 ASP 0.000 0.000 . 0 "[ ]"
1 12 ILE 1.022 0.463 1 0 "[ ]"
1 13 GLY 0.000 0.000 . 0 "[ ]"
1 15 GLY 0.000 0.000 . 0 "[ ]"
1 16 ILE 0.440 0.242 1 0 "[ ]"
1 17 ARG 0.232 0.232 1 0 "[ ]"
1 18 GLU 0.198 0.198 1 0 "[ ]"
1 19 VAL 0.118 0.095 1 0 "[ ]"
1 20 THR 0.080 0.080 1 0 "[ ]"
1 21 VAL 0.391 0.242 1 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 GLU 0.000 0.000 . 0 "[ ]"
1 24 TRP 0.047 0.047 1 0 "[ ]"
1 25 TYR 0.000 0.000 . 0 "[ ]"
1 26 VAL 0.079 0.079 1 0 "[ ]"
1 27 LYS 0.670 0.497 1 0 "[ ]"
1 28 GLU 0.423 0.208 1 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 ASP 0.000 0.000 . 0 "[ ]"
1 31 THR 0.273 0.273 1 0 "[ ]"
1 32 VAL 0.390 0.222 1 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 GLN 0.000 0.000 . 0 "[ ]"
1 35 PHE 0.000 0.000 . 0 "[ ]"
1 36 ASP 0.000 0.000 . 0 "[ ]"
1 37 SER 0.080 0.072 1 0 "[ ]"
1 38 ILE 1.431 0.310 1 0 "[ ]"
1 39 CYS 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.000 0.000 . 0 "[ ]"
1 41 VAL 0.337 0.242 1 0 "[ ]"
1 42 GLN 0.106 0.083 1 0 "[ ]"
1 43 SER 0.000 0.000 . 0 "[ ]"
1 44 ASP 0.000 0.000 . 0 "[ ]"
1 45 LYS 0.960 0.960 1 1 [+]
1 46 ALA 0.000 0.000 . 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 VAL 0.000 0.000 . 0 "[ ]"
1 49 THR 0.083 0.083 1 0 "[ ]"
1 50 ILE 0.272 0.272 1 0 "[ ]"
1 51 THR 0.000 0.000 . 0 "[ ]"
1 52 SER 0.000 0.000 . 0 "[ ]"
1 53 ARG 2.355 1.187 1 1 [+]
1 54 TYR 0.000 0.000 . 0 "[ ]"
1 55 ASP 0.222 0.222 1 0 "[ ]"
1 56 GLY 0.013 0.013 1 0 "[ ]"
1 57 VAL 0.000 0.000 . 0 "[ ]"
1 58 ILE 1.358 0.310 1 0 "[ ]"
1 59 LYS 0.784 0.682 1 1 [+]
1 60 LYS 0.551 0.314 1 0 "[ ]"
1 61 LEU 0.005 0.005 1 0 "[ ]"
1 62 TYR 0.000 0.000 . 0 "[ ]"
1 63 TYR 0.000 0.000 . 0 "[ ]"
1 64 ASN 0.281 0.154 1 0 "[ ]"
1 65 LEU 0.307 0.154 1 0 "[ ]"
1 66 ASP 0.000 0.000 . 0 "[ ]"
1 67 ASP 0.000 0.000 . 0 "[ ]"
1 68 ILE 0.311 0.230 1 0 "[ ]"
1 69 ALA 0.081 0.081 1 0 "[ ]"
1 70 TYR 0.000 0.000 . 0 "[ ]"
1 71 VAL 0.000 0.000 . 0 "[ ]"
1 72 GLY 0.000 0.000 . 0 "[ ]"
1 73 LYS 0.000 0.000 . 0 "[ ]"
1 74 PRO 0.023 0.023 1 0 "[ ]"
1 75 LEU 1.728 0.629 1 1 [+]
1 76 VAL 0.553 0.314 1 0 "[ ]"
1 77 ASP 0.116 0.072 1 0 "[ ]"
1 78 ILE 0.925 0.600 1 1 [+]
1 79 GLU 0.065 0.051 1 0 "[ ]"
1 80 THR 0.277 0.277 1 0 "[ ]"
1 81 GLU 0.124 0.124 1 0 "[ ]"
1 83 LEU 0.145 0.124 1 0 "[ ]"
1 85 ASP 0.000 0.000 . 0 "[ ]"
1 86 LEU 1.072 0.522 1 1 [+]
1 87 GLU 0.044 0.044 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 3 GLN HA 1 4 VAL H 3.300 . 4.600 2.241 2.241 2.241 . 0 0 "[ ]" 1
2 1 4 VAL H 1 4 VAL HB 3.800 . 5.600 3.809 3.809 3.809 . 0 0 "[ ]" 1
3 1 4 VAL H 1 4 VAL QG 3.900 . 5.800 2.361 2.361 2.361 . 0 0 "[ ]" 1
4 1 4 VAL HA 1 5 VAL H 2.100 . 2.700 2.224 2.224 2.224 . 0 0 "[ ]" 1
5 1 4 VAL QG 1 5 VAL H 3.800 . 5.600 3.346 3.346 3.346 . 0 0 "[ ]" 1
6 1 5 VAL H 1 5 VAL HA 3.000 . 4.100 2.924 2.924 2.924 . 0 0 "[ ]" 1
7 1 5 VAL H 1 5 VAL HB 3.100 . 4.300 3.673 3.673 3.673 . 0 0 "[ ]" 1
8 1 5 VAL H 1 77 ASP HA 4.600 . 6.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
9 1 5 VAL H 1 78 ILE HB 3.700 . 5.400 4.230 4.230 4.230 . 0 0 "[ ]" 1
10 1 5 VAL H 1 78 ILE H 2.800 . 3.800 3.356 3.356 3.356 . 0 0 "[ ]" 1
11 1 5 VAL H 1 79 GLU HA 3.100 . 4.300 2.693 2.693 2.693 . 0 0 "[ ]" 1
12 1 5 VAL H 1 80 THR H 3.700 . 5.400 3.229 3.229 3.229 . 0 0 "[ ]" 1
13 1 4 VAL QG 1 6 GLN H 3.700 . 5.400 4.578 4.578 4.578 . 0 0 "[ ]" 1
14 1 5 VAL HA 1 6 GLN H 2.100 . 2.700 2.166 2.166 2.166 . 0 0 "[ ]" 1
15 1 5 VAL HB 1 6 GLN H 3.600 . 5.200 3.236 3.236 3.236 . 0 0 "[ ]" 1
16 1 5 VAL QG 1 6 GLN H 4.100 . 5.600 3.557 3.557 3.557 . 0 0 "[ ]" 1
17 1 6 GLN H 1 6 GLN HA 2.900 . 3.900 2.913 2.913 2.913 . 0 0 "[ ]" 1
18 1 6 GLN H 1 6 GLN HB3 3.400 . 4.800 3.414 3.414 3.414 . 0 0 "[ ]" 1
19 1 6 GLN HB3 1 6 GLN HE22 4.300 . 6.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
20 1 6 GLN H 1 6 GLN HB2 2.600 . 3.400 2.445 2.445 2.445 . 0 0 "[ ]" 1
21 1 6 GLN HE21 1 6 GLN QG 3.100 . 4.300 2.397 2.397 2.397 . 0 0 "[ ]" 1
22 1 6 GLN H 1 6 GLN QG 3.300 . 4.600 3.064 3.064 3.064 . 0 0 "[ ]" 1
23 1 6 GLN HA 1 7 PHE H 2.000 . 2.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
24 1 6 GLN HB3 1 7 PHE H 3.200 . 4.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
25 1 6 GLN HB2 1 7 PHE H 4.400 . 6.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
26 1 6 GLN HE21 1 7 PHE H 4.700 . 6.000 5.401 5.401 5.401 . 0 0 "[ ]" 1
27 1 6 GLN QG 1 7 PHE H 4.300 . 6.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
28 1 7 PHE H 1 7 PHE HA 3.000 . 4.100 2.922 2.922 2.922 . 0 0 "[ ]" 1
29 1 7 PHE H 1 7 PHE QB 2.400 . 3.100 2.280 2.280 2.280 . 0 0 "[ ]" 1
30 1 7 PHE H 1 7 PHE QE 4.900 . 6.000 6.047 6.047 6.047 0.047 1 0 "[ ]" 1
31 1 7 PHE H 1 76 VAL MG1 3.100 . 4.300 2.599 2.599 2.599 . 0 0 "[ ]" 1
32 1 7 PHE H 1 76 VAL MG2 5.200 . 6.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
33 1 7 PHE H 1 76 VAL H 3.000 . 4.100 2.929 2.929 2.929 . 0 0 "[ ]" 1
34 1 7 PHE H 1 77 ASP HA 3.500 . 5.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
35 1 7 PHE H 1 78 ILE MD 3.700 . 5.400 2.641 2.641 2.641 . 0 0 "[ ]" 1
36 1 7 PHE HA 1 8 LYS H 3.100 . 4.300 2.158 2.158 2.158 . 0 0 "[ ]" 1
37 1 8 LYS H 1 8 LYS QB 3.500 . 5.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
38 1 8 LYS HA 1 9 LEU H 2.100 . 2.700 2.212 2.212 2.212 . 0 0 "[ ]" 1
39 1 8 LYS QB 1 9 LEU H 3.300 . 4.700 3.107 3.107 3.107 . 0 0 "[ ]" 1
40 1 9 LEU H 1 9 LEU QB 2.400 . 3.100 2.191 2.191 2.191 . 0 0 "[ ]" 1
41 1 9 LEU H 1 9 LEU QD 4.100 . 6.000 3.686 3.686 3.686 . 0 0 "[ ]" 1
42 1 9 LEU H 1 9 LEU HG 4.400 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
43 1 9 LEU H 1 74 PRO HA 3.900 . 5.800 4.110 4.110 4.110 . 0 0 "[ ]" 1
44 1 9 LEU HA 1 10 SER H 2.700 . 3.600 2.131 2.131 2.131 . 0 0 "[ ]" 1
45 1 9 LEU QD 1 10 SER H 3.200 . 4.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
46 1 12 ILE H 1 12 ILE HB 3.000 . 4.100 3.038 3.038 3.038 . 0 0 "[ ]" 1
47 1 12 ILE H 1 12 ILE QG 2.800 . 3.800 2.517 2.517 2.517 . 0 0 "[ ]" 1
48 1 12 ILE H 1 12 ILE MG 3.600 . 5.200 3.101 3.101 3.101 . 0 0 "[ ]" 1
49 1 12 ILE H 1 13 GLY H 3.500 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
50 1 15 GLY QA 1 16 ILE H 2.800 . 3.800 2.743 2.743 2.743 . 0 0 "[ ]" 1
51 1 16 ILE H 1 16 ILE HB 2.800 . 3.800 3.620 3.620 3.620 . 0 0 "[ ]" 1
52 1 16 ILE H 1 16 ILE MD 3.400 . 4.800 3.567 3.567 3.567 . 0 0 "[ ]" 1
53 1 16 ILE H 1 16 ILE QG 2.900 . 3.900 2.396 2.396 2.396 . 0 0 "[ ]" 1
54 1 18 GLU H 1 18 GLU HA 2.700 . 3.600 2.918 2.918 2.918 . 0 0 "[ ]" 1
55 1 18 GLU H 1 18 GLU QB 2.900 . 4.000 2.357 2.357 2.357 . 0 0 "[ ]" 1
56 1 18 GLU H 1 18 GLU QG 3.200 . 4.400 3.130 3.130 3.130 . 0 0 "[ ]" 1
57 1 18 GLU QB 1 19 VAL H 3.200 . 4.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
58 1 19 VAL H 1 19 VAL HA 3.000 . 4.100 2.953 2.953 2.953 . 0 0 "[ ]" 1
59 1 19 VAL H 1 19 VAL HB 3.100 . 4.300 3.055 3.055 3.055 . 0 0 "[ ]" 1
60 1 19 VAL H 1 19 VAL MG1 2.400 . 3.100 2.504 2.504 2.504 . 0 0 "[ ]" 1
61 1 19 VAL H 1 19 VAL MG2 3.900 . 5.800 3.864 3.864 3.864 . 0 0 "[ ]" 1
62 1 19 VAL HA 1 20 THR H 2.300 . 2.900 2.226 2.226 2.226 . 0 0 "[ ]" 1
63 1 19 VAL MG1 1 20 THR H 3.500 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
64 1 19 VAL MG2 1 20 THR H 2.900 . 3.900 2.228 2.228 2.228 . 0 0 "[ ]" 1
65 1 20 THR H 1 20 THR HA 2.700 . 3.600 2.925 2.925 2.925 . 0 0 "[ ]" 1
66 1 20 THR H 1 20 THR HB 2.500 . 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 1
67 1 20 THR H 1 20 THR MG 4.100 . 6.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
68 1 20 THR H 1 41 VAL HB 3.300 . 4.700 4.296 4.296 4.296 . 0 0 "[ ]" 1
69 1 20 THR HA 1 21 VAL H 2.100 . 2.600 2.332 2.332 2.332 . 0 0 "[ ]" 1
70 1 20 THR HB 1 21 VAL H 3.200 . 4.500 3.298 3.298 3.298 . 0 0 "[ ]" 1
71 1 20 THR MG 1 21 VAL H 2.400 . 3.100 2.330 2.330 2.330 . 0 0 "[ ]" 1
72 1 21 VAL H 1 21 VAL HA 2.600 . 3.500 2.884 2.884 2.884 . 0 0 "[ ]" 1
73 1 21 VAL H 1 21 VAL MG1 3.300 . 4.600 3.703 3.703 3.703 . 0 0 "[ ]" 1
74 1 21 VAL H 1 21 VAL MG2 2.300 . 3.000 2.462 2.462 2.462 . 0 0 "[ ]" 1
75 1 21 VAL H 1 42 GLN H 4.200 . 6.000 6.023 6.023 6.023 0.023 1 0 "[ ]" 1
76 1 21 VAL H 1 67 ASP H 4.200 . 6.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
77 1 21 VAL H 1 68 ILE HA 3.900 . 5.800 3.857 3.857 3.857 . 0 0 "[ ]" 1
78 1 21 VAL HA 1 22 LYS H 2.200 . 2.800 2.162 2.162 2.162 . 0 0 "[ ]" 1
79 1 21 VAL MG1 1 22 LYS H 3.600 . 5.200 2.745 2.745 2.745 . 0 0 "[ ]" 1
80 1 21 VAL MG2 1 22 LYS H 4.200 . 6.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
81 1 21 VAL H 1 22 LYS H 3.700 . 5.400 4.524 4.524 4.524 . 0 0 "[ ]" 1
82 1 22 LYS H 1 22 LYS HB2 3.500 . 5.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
83 1 22 LYS H 1 22 LYS HB3 2.500 . 3.300 2.887 2.887 2.887 . 0 0 "[ ]" 1
84 1 22 LYS H 1 23 GLU HA 4.900 . 6.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
85 1 22 LYS H 1 23 GLU QB 4.200 . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
86 1 22 LYS H 1 40 GLU H 4.200 . 6.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
87 1 22 LYS H 1 41 VAL HA 2.500 . 3.300 2.228 2.228 2.228 . 0 0 "[ ]" 1
88 1 22 LYS H 1 41 VAL MG1 4.500 . 6.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
89 1 21 VAL HA 1 23 GLU H 3.800 . 5.600 3.820 3.820 3.820 . 0 0 "[ ]" 1
90 1 21 VAL MG1 1 23 GLU H 2.900 . 4.000 2.486 2.486 2.486 . 0 0 "[ ]" 1
91 1 22 LYS HA 1 23 GLU H 3.100 . 4.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
92 1 22 LYS HB3 1 23 GLU H 3.100 . 4.300 2.974 2.974 2.974 . 0 0 "[ ]" 1
93 1 22 LYS H 1 23 GLU H 2.200 . 2.800 2.198 2.198 2.198 . 0 0 "[ ]" 1
94 1 23 GLU H 1 23 GLU HA 2.600 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
95 1 23 GLU H 1 23 GLU QB 2.700 . 3.600 2.620 2.620 2.620 . 0 0 "[ ]" 1
96 1 23 GLU H 1 24 TRP HA 3.500 . 5.100 4.836 4.836 4.836 . 0 0 "[ ]" 1
97 1 23 GLU H 1 40 GLU HB2 2.700 . 3.600 2.946 2.946 2.946 . 0 0 "[ ]" 1
98 1 23 GLU H 1 40 GLU H 2.600 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
99 1 23 GLU H 1 41 VAL HA 4.400 . 6.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
100 1 23 GLU H 1 65 LEU MD2 3.400 . 4.800 3.830 3.830 3.830 . 0 0 "[ ]" 1
101 1 21 VAL MG1 1 24 TRP HE1 3.100 . 4.300 2.643 2.643 2.643 . 0 0 "[ ]" 1
102 1 23 GLU HA 1 24 TRP H 2.200 . 2.800 2.137 2.137 2.137 . 0 0 "[ ]" 1
103 1 23 GLU QB 1 24 TRP H 3.700 . 5.400 3.339 3.339 3.339 . 0 0 "[ ]" 1
104 1 24 TRP H 1 24 TRP HA 3.000 . 4.200 2.937 2.937 2.937 . 0 0 "[ ]" 1
105 1 24 TRP H 1 24 TRP HB3 3.800 . 5.600 3.562 3.562 3.562 . 0 0 "[ ]" 1
106 1 24 TRP H 1 24 TRP HB2 2.600 . 3.400 2.512 2.512 2.512 . 0 0 "[ ]" 1
107 1 24 TRP HE1 1 64 ASN HA 2.600 . 3.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
108 1 24 TRP HB3 1 25 TYR H 3.200 . 4.500 3.652 3.652 3.652 . 0 0 "[ ]" 1
109 1 24 TRP HE3 1 25 TYR H 3.000 . 4.100 2.670 2.670 2.670 . 0 0 "[ ]" 1
110 1 24 TRP HZ3 1 25 TYR H 3.700 . 5.400 4.580 4.580 4.580 . 0 0 "[ ]" 1
111 1 25 TYR H 1 25 TYR HA 2.900 . 4.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
112 1 25 TYR H 1 25 TYR QB 2.600 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
113 1 25 TYR H 1 26 VAL H 2.200 . 2.800 2.495 2.495 2.495 . 0 0 "[ ]" 1
114 1 25 TYR H 1 38 ILE QG 4.500 . 6.000 5.816 5.816 5.816 . 0 0 "[ ]" 1
115 1 24 TRP HB3 1 26 VAL H 2.800 . 3.800 3.333 3.333 3.333 . 0 0 "[ ]" 1
116 1 24 TRP HB2 1 26 VAL H 4.500 . 6.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
117 1 24 TRP HE3 1 26 VAL H 3.200 . 4.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
118 1 26 VAL H 1 26 VAL HA 2.700 . 3.600 2.877 2.877 2.877 . 0 0 "[ ]" 1
119 1 26 VAL H 1 26 VAL MG2 2.600 . 3.400 2.706 2.706 2.706 . 0 0 "[ ]" 1
120 1 26 VAL H 1 26 VAL MG1 2.900 . 3.900 3.128 3.128 3.128 . 0 0 "[ ]" 1
121 1 26 VAL HA 1 27 LYS H 2.000 . 2.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
122 1 26 VAL HB 1 27 LYS H 2.100 . 2.600 2.458 2.458 2.458 . 0 0 "[ ]" 1
123 1 26 VAL MG2 1 27 LYS H 3.700 . 5.400 3.366 3.366 3.366 . 0 0 "[ ]" 1
124 1 26 VAL MG1 1 27 LYS H 3.100 . 4.300 3.747 3.747 3.747 . 0 0 "[ ]" 1
125 1 27 LYS H 1 27 LYS HA 2.500 . 3.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
126 1 27 LYS H 1 27 LYS QB 2.600 . 3.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
127 1 27 LYS H 1 30 ASP QB 2.600 . 3.500 2.062 2.062 2.062 . 0 0 "[ ]" 1
128 1 27 LYS H 1 58 ILE HB 3.700 . 5.400 4.024 4.024 4.024 . 0 0 "[ ]" 1
129 1 27 LYS HA 1 28 GLU H 1.900 . 2.400 2.397 2.397 2.397 . 0 0 "[ ]" 1
130 1 27 LYS QB 1 28 GLU H 2.100 . 2.700 2.484 2.484 2.484 . 0 0 "[ ]" 1
131 1 28 GLU H 1 28 GLU HA 2.300 . 3.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
132 1 28 GLU H 1 28 GLU QB 2.400 . 3.100 2.753 2.753 2.753 . 0 0 "[ ]" 1
133 1 28 GLU H 1 28 GLU QG 2.300 . 2.900 1.859 1.859 1.859 . 0 0 "[ ]" 1
134 1 28 GLU H 1 58 ILE MG 3.800 . 5.600 4.755 4.755 4.755 . 0 0 "[ ]" 1
135 1 28 GLU H 1 61 LEU HA 4.200 . 6.000 5.935 5.935 5.935 . 0 0 "[ ]" 1
136 1 28 GLU H 1 61 LEU MD1 2.800 . 3.800 2.699 2.699 2.699 . 0 0 "[ ]" 1
137 1 28 GLU H 1 61 LEU H 3.500 . 5.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
138 1 28 GLU HA 1 29 GLY H 2.100 . 2.700 2.199 2.199 2.199 . 0 0 "[ ]" 1
139 1 29 GLY H 1 30 ASP H 2.900 . 3.900 2.640 2.640 2.640 . 0 0 "[ ]" 1
140 1 29 GLY H 1 58 ILE HB 3.400 . 4.800 3.971 3.971 3.971 . 0 0 "[ ]" 1
141 1 29 GLY H 1 58 ILE MG 3.500 . 5.100 3.864 3.864 3.864 . 0 0 "[ ]" 1
142 1 26 VAL HB 1 30 ASP H 4.100 . 6.000 5.186 5.186 5.186 . 0 0 "[ ]" 1
143 1 27 LYS H 1 30 ASP H 3.900 . 5.800 3.967 3.967 3.967 . 0 0 "[ ]" 1
144 1 29 GLY QA 1 30 ASP H 3.000 . 4.100 2.926 2.926 2.926 . 0 0 "[ ]" 1
145 1 30 ASP H 1 30 ASP HA 2.600 . 3.400 2.920 2.920 2.920 . 0 0 "[ ]" 1
146 1 30 ASP H 1 30 ASP QB 2.300 . 2.900 2.299 2.299 2.299 . 0 0 "[ ]" 1
147 1 30 ASP H 1 58 ILE HB 2.400 . 3.100 2.987 2.987 2.987 . 0 0 "[ ]" 1
148 1 30 ASP H 1 58 ILE MD 3.700 . 5.400 4.636 4.636 4.636 . 0 0 "[ ]" 1
149 1 30 ASP H 1 58 ILE MG 3.600 . 5.200 4.010 4.010 4.010 . 0 0 "[ ]" 1
150 1 30 ASP HA 1 31 THR H 2.200 . 2.800 2.298 2.298 2.298 . 0 0 "[ ]" 1
151 1 30 ASP QB 1 31 THR H 3.000 . 4.100 3.092 3.092 3.092 . 0 0 "[ ]" 1
152 1 31 THR H 1 31 THR HA 2.800 . 3.800 2.928 2.928 2.928 . 0 0 "[ ]" 1
153 1 31 THR H 1 31 THR HB 2.700 . 3.600 2.733 2.733 2.733 . 0 0 "[ ]" 1
154 1 31 THR H 1 31 THR MG 3.900 . 5.800 3.750 3.750 3.750 . 0 0 "[ ]" 1
155 1 31 THR H 1 32 VAL MG2 3.900 . 5.800 5.371 5.371 5.371 . 0 0 "[ ]" 1
156 1 31 THR HA 1 32 VAL H 2.000 . 2.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
157 1 31 THR MG 1 32 VAL H 2.800 . 3.800 2.346 2.346 2.346 . 0 0 "[ ]" 1
158 1 32 VAL H 1 32 VAL MG2 3.300 . 4.600 2.085 2.085 2.085 . 0 0 "[ ]" 1
159 1 32 VAL H 1 32 VAL MG1 2.600 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
160 1 32 VAL HA 1 33 SER H 2.100 . 2.600 2.384 2.384 2.384 . 0 0 "[ ]" 1
161 1 32 VAL HB 1 33 SER H 2.500 . 3.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
162 1 32 VAL MG2 1 33 SER H 3.200 . 4.500 3.949 3.949 3.949 . 0 0 "[ ]" 1
163 1 33 SER H 1 33 SER HA 2.900 . 3.900 2.932 2.932 2.932 . 0 0 "[ ]" 1
164 1 33 SER H 1 33 SER HB3 3.300 . 4.700 3.464 3.464 3.464 . 0 0 "[ ]" 1
165 1 33 SER H 1 33 SER HB2 2.900 . 3.900 2.753 2.753 2.753 . 0 0 "[ ]" 1
166 1 33 SER H 1 36 ASP QB 2.900 . 3.900 2.211 2.211 2.211 . 0 0 "[ ]" 1
167 1 33 SER HA 1 34 GLN H 2.100 . 2.600 2.443 2.443 2.443 . 0 0 "[ ]" 1
168 1 33 SER HB3 1 34 GLN H 2.600 . 3.400 2.597 2.597 2.597 . 0 0 "[ ]" 1
169 1 34 GLN H 1 34 GLN HA 2.500 . 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 1
170 1 34 GLN H 1 34 GLN QB 2.400 . 3.100 2.281 2.281 2.281 . 0 0 "[ ]" 1
171 1 34 GLN HE22 1 34 GLN QG 3.200 . 4.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
172 1 34 GLN H 1 55 ASP HA 3.300 . 4.700 4.076 4.076 4.076 . 0 0 "[ ]" 1
173 1 35 PHE H 1 35 PHE HA 2.500 . 3.300 2.910 2.910 2.910 . 0 0 "[ ]" 1
174 1 35 PHE H 1 35 PHE QB 3.300 . 4.600 2.432 2.432 2.432 . 0 0 "[ ]" 1
175 1 35 PHE H 1 37 SER H 4.200 . 6.000 5.909 5.909 5.909 . 0 0 "[ ]" 1
176 1 34 GLN HA 1 36 ASP H 3.100 . 4.300 4.279 4.279 4.279 . 0 0 "[ ]" 1
177 1 35 PHE HA 1 36 ASP H 3.400 . 4.800 3.413 3.413 3.413 . 0 0 "[ ]" 1
178 1 35 PHE H 1 36 ASP H 2.500 . 3.300 2.170 2.170 2.170 . 0 0 "[ ]" 1
179 1 36 ASP H 1 36 ASP HA 2.600 . 3.400 2.916 2.916 2.916 . 0 0 "[ ]" 1
180 1 36 ASP H 1 36 ASP QB 2.300 . 3.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
181 1 36 ASP H 1 52 SER QB 3.300 . 4.700 4.221 4.221 4.221 . 0 0 "[ ]" 1
182 1 36 ASP QB 1 37 SER H 4.000 . 6.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
183 1 37 SER H 1 37 SER QB 3.000 . 4.100 2.746 2.746 2.746 . 0 0 "[ ]" 1
184 1 37 SER HA 1 38 ILE H 2.400 . 3.100 2.365 2.365 2.365 . 0 0 "[ ]" 1
185 1 38 ILE H 1 38 ILE HB 2.700 . 3.600 2.534 2.534 2.534 . 0 0 "[ ]" 1
186 1 38 ILE H 1 51 THR HA 3.200 . 4.400 3.555 3.555 3.555 . 0 0 "[ ]" 1
187 1 37 SER HA 1 39 CYS H 4.100 . 6.000 5.106 5.106 5.106 . 0 0 "[ ]" 1
188 1 38 ILE HA 1 39 CYS H 3.100 . 4.300 3.545 3.545 3.545 . 0 0 "[ ]" 1
189 1 38 ILE HB 1 39 CYS H 2.000 . 2.500 1.938 1.938 1.938 . 0 0 "[ ]" 1
190 1 38 ILE MG 1 39 CYS H 3.000 . 4.200 2.894 2.894 2.894 . 0 0 "[ ]" 1
191 1 38 ILE H 1 39 CYS H 2.300 . 3.000 2.835 2.835 2.835 . 0 0 "[ ]" 1
192 1 39 CYS H 1 39 CYS HA 2.500 . 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 1
193 1 39 CYS H 1 39 CYS QB 3.200 . 4.500 2.775 2.775 2.775 . 0 0 "[ ]" 1
194 1 39 CYS H 1 50 ILE HB 2.300 . 3.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
195 1 39 CYS H 1 50 ILE QG 3.700 . 5.400 3.760 3.760 3.760 . 0 0 "[ ]" 1
196 1 39 CYS H 1 50 ILE MG 3.700 . 5.400 3.357 3.357 3.357 . 0 0 "[ ]" 1
197 1 39 CYS H 1 50 ILE H 3.300 . 4.600 4.142 4.142 4.142 . 0 0 "[ ]" 1
198 1 39 CYS H 1 51 THR HA 4.000 . 6.000 5.636 5.636 5.636 . 0 0 "[ ]" 1
199 1 23 GLU QB 1 40 GLU H 3.700 . 5.400 3.700 3.700 3.700 . 0 0 "[ ]" 1
200 1 39 CYS QB 1 40 GLU H 2.800 . 3.800 2.938 2.938 2.938 . 0 0 "[ ]" 1
201 1 40 GLU H 1 40 GLU HA 3.000 . 4.100 2.914 2.914 2.914 . 0 0 "[ ]" 1
202 1 40 GLU H 1 40 GLU HB3 3.200 . 4.500 3.525 3.525 3.525 . 0 0 "[ ]" 1
203 1 40 GLU H 1 40 GLU HB2 2.600 . 3.500 2.749 2.749 2.749 . 0 0 "[ ]" 1
204 1 40 GLU HA 1 41 VAL H 2.000 . 2.500 2.151 2.151 2.151 . 0 0 "[ ]" 1
205 1 40 GLU HB3 1 41 VAL H 3.300 . 4.700 3.419 3.419 3.419 . 0 0 "[ ]" 1
206 1 41 VAL H 1 41 VAL MG2 2.700 . 3.600 2.443 2.443 2.443 . 0 0 "[ ]" 1
207 1 41 VAL H 1 41 VAL MG1 2.800 . 3.800 2.928 2.928 2.928 . 0 0 "[ ]" 1
208 1 41 VAL H 1 48 VAL HB 3.200 . 4.500 3.580 3.580 3.580 . 0 0 "[ ]" 1
209 1 41 VAL H 1 48 VAL MG1 4.100 . 6.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
210 1 41 VAL H 1 49 THR HA 3.500 . 5.000 3.279 3.279 3.279 . 0 0 "[ ]" 1
211 1 21 VAL HA 1 42 GLN H 4.600 . 6.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
212 1 22 LYS H 1 42 GLN H 3.600 . 5.200 3.760 3.760 3.760 . 0 0 "[ ]" 1
213 1 41 VAL HA 1 42 GLN H 2.200 . 2.800 2.247 2.247 2.247 . 0 0 "[ ]" 1
214 1 41 VAL HB 1 42 GLN H 2.800 . 3.800 2.788 2.788 2.788 . 0 0 "[ ]" 1
215 1 41 VAL MG1 1 42 GLN H 3.800 . 5.600 3.865 3.865 3.865 . 0 0 "[ ]" 1
216 1 42 GLN H 1 42 GLN QB 2.700 . 3.600 2.602 2.602 2.602 . 0 0 "[ ]" 1
217 1 42 GLN QB 1 42 GLN HE22 4.000 . 6.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
218 1 42 GLN H 1 43 SER QB 3.700 . 5.400 5.004 5.004 5.004 . 0 0 "[ ]" 1
219 1 42 GLN HA 1 43 SER H 2.300 . 3.000 2.133 2.133 2.133 . 0 0 "[ ]" 1
220 1 43 SER H 1 43 SER QB 3.300 . 4.700 2.508 2.508 2.508 . 0 0 "[ ]" 1
221 1 43 SER H 1 47 SER HA 3.600 . 5.200 2.540 2.540 2.540 . 0 0 "[ ]" 1
222 1 45 LYS HA 1 46 ALA H 3.800 . 5.600 3.541 3.541 3.541 . 0 0 "[ ]" 1
223 1 45 LYS QB 1 46 ALA H 3.800 . 5.600 2.590 2.590 2.590 . 0 0 "[ ]" 1
224 1 46 ALA HA 1 47 SER H 3.300 . 4.700 2.334 2.334 2.334 . 0 0 "[ ]" 1
225 1 47 SER H 1 47 SER QB 3.900 . 5.800 2.767 2.767 2.767 . 0 0 "[ ]" 1
226 1 41 VAL MG2 1 48 VAL H 2.700 . 3.600 3.243 3.243 3.243 . 0 0 "[ ]" 1
227 1 41 VAL MG1 1 48 VAL H 4.000 . 6.000 5.337 5.337 5.337 . 0 0 "[ ]" 1
228 1 41 VAL H 1 48 VAL H 3.800 . 5.600 3.935 3.935 3.935 . 0 0 "[ ]" 1
229 1 42 GLN HA 1 48 VAL H 3.600 . 5.200 2.742 2.742 2.742 . 0 0 "[ ]" 1
230 1 47 SER HA 1 48 VAL H 2.200 . 2.800 2.161 2.161 2.161 . 0 0 "[ ]" 1
231 1 48 VAL H 1 48 VAL HB 2.900 . 4.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
232 1 48 VAL H 1 48 VAL MG2 3.000 . 4.200 2.580 2.580 2.580 . 0 0 "[ ]" 1
233 1 48 VAL HA 1 49 THR H 2.400 . 3.100 2.149 2.149 2.149 . 0 0 "[ ]" 1
234 1 48 VAL MG1 1 49 THR H 2.800 . 3.800 2.657 2.657 2.657 . 0 0 "[ ]" 1
235 1 49 THR H 1 49 THR HB 3.200 . 4.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
236 1 40 GLU HA 1 50 ILE H 3.400 . 4.800 2.636 2.636 2.636 . 0 0 "[ ]" 1
237 1 49 THR HA 1 50 ILE H 2.400 . 3.100 2.174 2.174 2.174 . 0 0 "[ ]" 1
238 1 49 THR H 1 50 ILE H 4.500 . 6.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
239 1 50 ILE H 1 50 ILE HB 2.700 . 3.600 2.605 2.605 2.605 . 0 0 "[ ]" 1
240 1 50 ILE H 1 50 ILE MD 4.400 . 6.000 3.156 3.156 3.156 . 0 0 "[ ]" 1
241 1 50 ILE H 1 50 ILE QG 3.100 . 4.300 2.542 2.542 2.542 . 0 0 "[ ]" 1
242 1 50 ILE H 1 50 ILE MG 4.100 . 6.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
243 1 50 ILE HA 1 51 THR H 2.400 . 3.100 2.131 2.131 2.131 . 0 0 "[ ]" 1
244 1 51 THR H 1 51 THR MG 3.500 . 5.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
245 1 34 GLN QB 1 52 SER H 4.100 . 6.000 5.550 5.550 5.550 . 0 0 "[ ]" 1
246 1 34 GLN QG 1 52 SER H 4.000 . 6.000 5.172 5.172 5.172 . 0 0 "[ ]" 1
247 1 38 ILE QG 1 52 SER H 3.600 . 5.200 4.885 4.885 4.885 . 0 0 "[ ]" 1
248 1 51 THR HA 1 52 SER H 2.100 . 2.700 2.574 2.574 2.574 . 0 0 "[ ]" 1
249 1 51 THR HB 1 52 SER H 2.500 . 3.300 2.210 2.210 2.210 . 0 0 "[ ]" 1
250 1 52 SER H 1 52 SER HA 2.500 . 3.300 2.914 2.914 2.914 . 0 0 "[ ]" 1
251 1 52 SER H 1 52 SER QB 2.400 . 3.100 2.410 2.410 2.410 . 0 0 "[ ]" 1
252 1 52 SER QB 1 53 ARG H 2.700 . 3.600 2.619 2.619 2.619 . 0 0 "[ ]" 1
253 1 53 ARG H 1 53 ARG QB 3.500 . 5.100 3.035 3.035 3.035 . 0 0 "[ ]" 1
254 1 53 ARG H 1 54 TYR H 2.900 . 3.900 2.630 2.630 2.630 . 0 0 "[ ]" 1
255 1 52 SER QB 1 54 TYR H 3.200 . 4.500 2.337 2.337 2.337 . 0 0 "[ ]" 1
256 1 53 ARG HA 1 54 TYR H 3.300 . 4.700 3.185 3.185 3.185 . 0 0 "[ ]" 1
257 1 53 ARG QD 1 54 TYR H 3.400 . 4.800 4.008 4.008 4.008 . 0 0 "[ ]" 1
258 1 54 TYR H 1 54 TYR HA 2.600 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
259 1 54 TYR H 1 54 TYR HB3 3.500 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
260 1 54 TYR H 1 54 TYR HB2 2.800 . 3.800 3.042 3.042 3.042 . 0 0 "[ ]" 1
261 1 54 TYR HA 1 55 ASP H 2.100 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1
262 1 54 TYR HB3 1 55 ASP H 2.700 . 3.600 2.476 2.476 2.476 . 0 0 "[ ]" 1
263 1 54 TYR HB2 1 55 ASP H 3.900 . 5.800 3.839 3.839 3.839 . 0 0 "[ ]" 1
264 1 55 ASP H 1 55 ASP HA 2.900 . 3.900 2.920 2.920 2.920 . 0 0 "[ ]" 1
265 1 55 ASP H 1 55 ASP HB3 3.000 . 4.100 3.182 3.182 3.182 . 0 0 "[ ]" 1
266 1 55 ASP H 1 55 ASP HB2 3.000 . 4.100 3.044 3.044 3.044 . 0 0 "[ ]" 1
267 1 31 THR MG 1 56 GLY H 3.400 . 4.900 3.143 3.143 3.143 . 0 0 "[ ]" 1
268 1 32 VAL HA 1 56 GLY H 3.600 . 5.300 4.388 4.388 4.388 . 0 0 "[ ]" 1
269 1 32 VAL MG2 1 56 GLY H 3.200 . 4.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
270 1 32 VAL H 1 56 GLY H 2.500 . 3.300 2.695 2.695 2.695 . 0 0 "[ ]" 1
271 1 33 SER HA 1 56 GLY H 4.000 . 6.000 3.916 3.916 3.916 . 0 0 "[ ]" 1
272 1 55 ASP HA 1 56 GLY H 2.000 . 2.500 2.129 2.129 2.129 . 0 0 "[ ]" 1
273 1 55 ASP HB3 1 56 GLY H 3.900 . 5.800 3.753 3.753 3.753 . 0 0 "[ ]" 1
274 1 55 ASP HB2 1 56 GLY H 3.800 . 5.600 3.740 3.740 3.740 . 0 0 "[ ]" 1
275 1 56 GLY H 1 78 ILE MG 3.900 . 5.800 4.051 4.051 4.051 . 0 0 "[ ]" 1
276 1 56 GLY QA 1 57 VAL H 2.500 . 3.300 2.244 2.244 2.244 . 0 0 "[ ]" 1
277 1 57 VAL H 1 57 VAL HA 2.700 . 3.600 2.936 2.936 2.936 . 0 0 "[ ]" 1
278 1 57 VAL H 1 57 VAL MG2 4.400 . 6.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
279 1 57 VAL H 1 57 VAL MG1 2.900 . 4.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
280 1 57 VAL H 1 58 ILE MD 4.300 . 6.000 5.986 5.986 5.986 . 0 0 "[ ]" 1
281 1 57 VAL H 1 78 ILE MG 3.100 . 4.300 3.085 3.085 3.085 . 0 0 "[ ]" 1
282 1 57 VAL H 1 79 GLU QB 3.300 . 4.600 2.389 2.389 2.389 . 0 0 "[ ]" 1
283 1 57 VAL H 1 79 GLU H 2.700 . 3.600 2.330 2.330 2.330 . 0 0 "[ ]" 1
284 1 57 VAL H 1 80 THR HA 3.600 . 5.200 4.710 4.710 4.710 . 0 0 "[ ]" 1
285 1 30 ASP H 1 58 ILE H 3.500 . 5.000 4.015 4.015 4.015 . 0 0 "[ ]" 1
286 1 31 THR HA 1 58 ILE H 2.900 . 4.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
287 1 57 VAL HA 1 58 ILE H 1.900 . 2.400 2.133 2.133 2.133 . 0 0 "[ ]" 1
288 1 57 VAL MG1 1 58 ILE H 3.900 . 5.800 2.944 2.944 2.944 . 0 0 "[ ]" 1
289 1 58 ILE H 1 58 ILE HA 2.700 . 3.600 2.935 2.935 2.935 . 0 0 "[ ]" 1
290 1 58 ILE H 1 58 ILE HB 2.200 . 2.800 2.668 2.668 2.668 . 0 0 "[ ]" 1
291 1 58 ILE H 1 58 ILE MD 3.100 . 4.300 3.628 3.628 3.628 . 0 0 "[ ]" 1
292 1 58 ILE H 1 58 ILE QG 2.400 . 3.100 2.223 2.223 2.223 . 0 0 "[ ]" 1
293 1 58 ILE H 1 58 ILE MG 3.700 . 5.400 3.757 3.757 3.757 . 0 0 "[ ]" 1
294 1 58 ILE HA 1 59 LYS H 1.900 . 2.400 2.148 2.148 2.148 . 0 0 "[ ]" 1
295 1 59 LYS H 1 59 LYS HA 2.800 . 3.800 2.917 2.917 2.917 . 0 0 "[ ]" 1
296 1 59 LYS H 1 59 LYS HB2 3.000 . 4.100 2.717 2.717 2.717 . 0 0 "[ ]" 1
297 1 59 LYS H 1 59 LYS HB3 2.500 . 3.300 2.572 2.572 2.572 . 0 0 "[ ]" 1
298 1 59 LYS H 1 59 LYS QD 3.800 . 5.700 4.391 4.391 4.391 . 0 0 "[ ]" 1
299 1 59 LYS H 1 60 LYS H 2.200 . 2.800 2.373 2.373 2.373 . 0 0 "[ ]" 1
300 1 59 LYS H 1 76 VAL MG1 5.000 . 6.000 6.023 6.023 6.023 0.023 1 0 "[ ]" 1
301 1 59 LYS H 1 76 VAL MG2 4.000 . 6.000 3.746 3.746 3.746 . 0 0 "[ ]" 1
302 1 59 LYS H 1 77 ASP HB3 4.400 . 6.000 5.157 5.157 5.157 . 0 0 "[ ]" 1
303 1 59 LYS H 1 77 ASP HB2 3.300 . 4.700 3.711 3.711 3.711 . 0 0 "[ ]" 1
304 1 59 LYS H 1 77 ASP H 3.500 . 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
305 1 59 LYS H 1 78 ILE HA 3.000 . 4.100 3.558 3.558 3.558 . 0 0 "[ ]" 1
306 1 59 LYS H 1 78 ILE MD 3.600 . 5.300 5.379 5.379 5.379 0.079 1 0 "[ ]" 1
307 1 59 LYS H 1 78 ILE QG 3.500 . 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
308 1 59 LYS H 1 78 ILE MG 4.600 . 6.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
309 1 58 ILE HA 1 60 LYS H 4.000 . 6.000 4.088 4.088 4.088 . 0 0 "[ ]" 1
310 1 58 ILE MG 1 60 LYS H 2.700 . 3.600 3.015 3.015 3.015 . 0 0 "[ ]" 1
311 1 59 LYS HA 1 60 LYS H 3.400 . 4.800 3.557 3.557 3.557 . 0 0 "[ ]" 1
312 1 59 LYS HB2 1 60 LYS H 3.000 . 4.100 3.870 3.870 3.870 . 0 0 "[ ]" 1
313 1 59 LYS HB3 1 60 LYS H 3.700 . 5.400 2.840 2.840 2.840 . 0 0 "[ ]" 1
314 1 60 LYS H 1 60 LYS HA 2.500 . 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 1
315 1 60 LYS H 1 60 LYS HB2 3.300 . 4.600 3.788 3.788 3.788 . 0 0 "[ ]" 1
316 1 60 LYS H 1 60 LYS HB3 3.500 . 5.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
317 1 60 LYS H 1 77 ASP HB3 4.400 . 6.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
318 1 60 LYS H 1 77 ASP HB2 3.000 . 4.100 3.900 3.900 3.900 . 0 0 "[ ]" 1
319 1 60 LYS HA 1 61 LEU H 1.800 . 2.200 2.174 2.174 2.174 . 0 0 "[ ]" 1
320 1 60 LYS HB2 1 61 LEU H 4.300 . 6.000 2.899 2.899 2.899 . 0 0 "[ ]" 1
321 1 60 LYS QG 1 61 LEU H 3.400 . 4.900 3.624 3.624 3.624 . 0 0 "[ ]" 1
322 1 61 LEU H 1 61 LEU HA 2.900 . 3.900 2.921 2.921 2.921 . 0 0 "[ ]" 1
323 1 61 LEU H 1 61 LEU HB3 3.400 . 4.900 3.757 3.757 3.757 . 0 0 "[ ]" 1
324 1 61 LEU H 1 61 LEU HB2 2.300 . 3.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
325 1 61 LEU H 1 61 LEU MD1 3.600 . 5.200 3.720 3.720 3.720 . 0 0 "[ ]" 1
326 1 61 LEU H 1 61 LEU HG 2.700 . 3.600 3.467 3.467 3.467 . 0 0 "[ ]" 1
327 1 61 LEU HA 1 62 TYR H 2.200 . 2.800 2.144 2.144 2.144 . 0 0 "[ ]" 1
328 1 61 LEU HB3 1 62 TYR H 3.600 . 5.200 3.374 3.374 3.374 . 0 0 "[ ]" 1
329 1 61 LEU HB2 1 62 TYR H 3.800 . 5.600 4.259 4.259 4.259 . 0 0 "[ ]" 1
330 1 62 TYR H 1 62 TYR HA 3.000 . 4.100 2.894 2.894 2.894 . 0 0 "[ ]" 1
331 1 62 TYR H 1 62 TYR HB3 3.400 . 4.800 2.775 2.775 2.775 . 0 0 "[ ]" 1
332 1 62 TYR H 1 62 TYR HB2 2.400 . 3.100 2.530 2.530 2.530 . 0 0 "[ ]" 1
333 1 62 TYR H 1 76 VAL HA 3.500 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
334 1 61 LEU HB3 1 63 TYR H 3.100 . 4.300 4.078 4.078 4.078 . 0 0 "[ ]" 1
335 1 62 TYR H 1 63 TYR H 3.000 . 4.100 2.311 2.311 2.311 . 0 0 "[ ]" 1
336 1 63 TYR H 1 63 TYR HA 3.000 . 4.200 2.903 2.903 2.903 . 0 0 "[ ]" 1
337 1 63 TYR H 1 63 TYR HB2 2.900 . 3.900 2.507 2.507 2.507 . 0 0 "[ ]" 1
338 1 63 TYR HA 1 64 ASN H 2.300 . 2.900 2.174 2.174 2.174 . 0 0 "[ ]" 1
339 1 63 TYR HB3 1 64 ASN H 3.300 . 4.600 3.022 3.022 3.022 . 0 0 "[ ]" 1
340 1 64 ASN H 1 64 ASN HB2 2.600 . 3.500 2.588 2.588 2.588 . 0 0 "[ ]" 1
341 1 64 ASN HA 1 65 LEU H 2.300 . 3.000 2.633 2.633 2.633 . 0 0 "[ ]" 1
342 1 64 ASN HB3 1 65 LEU H 2.200 . 2.800 1.871 1.871 1.871 . 0 0 "[ ]" 1
343 1 64 ASN HB2 1 65 LEU H 2.900 . 3.900 3.031 3.031 3.031 . 0 0 "[ ]" 1
344 1 65 LEU H 1 65 LEU HA 2.600 . 3.500 2.745 2.745 2.745 . 0 0 "[ ]" 1
345 1 65 LEU H 1 65 LEU HB3 3.200 . 4.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
346 1 65 LEU H 1 65 LEU HB2 2.200 . 2.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
347 1 65 LEU H 1 65 LEU MD1 3.200 . 4.500 2.715 2.715 2.715 . 0 0 "[ ]" 1
348 1 65 LEU H 1 65 LEU MD2 4.000 . 6.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
349 1 65 LEU H 1 65 LEU HG 2.200 . 2.800 2.827 2.827 2.827 0.027 1 0 "[ ]" 1
350 1 65 LEU HB3 1 66 ASP H 3.600 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 1
351 1 66 ASP H 1 66 ASP HA 2.300 . 3.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
352 1 66 ASP H 1 67 ASP H 2.800 . 3.700 2.152 2.152 2.152 . 0 0 "[ ]" 1
353 1 20 THR HB 1 67 ASP H 4.100 . 6.000 5.935 5.935 5.935 . 0 0 "[ ]" 1
354 1 66 ASP HA 1 67 ASP H 3.300 . 4.700 3.478 3.478 3.478 . 0 0 "[ ]" 1
355 1 67 ASP H 1 67 ASP HA 2.800 . 3.800 2.860 2.860 2.860 . 0 0 "[ ]" 1
356 1 67 ASP H 1 67 ASP HB3 3.600 . 5.200 3.432 3.432 3.432 . 0 0 "[ ]" 1
357 1 67 ASP H 1 67 ASP HB2 2.300 . 3.000 2.419 2.419 2.419 . 0 0 "[ ]" 1
358 1 67 ASP HA 1 68 ILE H 2.100 . 2.600 2.239 2.239 2.239 . 0 0 "[ ]" 1
359 1 67 ASP HB3 1 68 ILE H 2.400 . 3.100 2.787 2.787 2.787 . 0 0 "[ ]" 1
360 1 67 ASP HB2 1 68 ILE H 3.800 . 5.600 3.764 3.764 3.764 . 0 0 "[ ]" 1
361 1 68 ILE H 1 68 ILE HA 2.700 . 3.600 2.943 2.943 2.943 . 0 0 "[ ]" 1
362 1 68 ILE H 1 68 ILE HB 2.300 . 2.900 2.828 2.828 2.828 . 0 0 "[ ]" 1
363 1 68 ILE H 1 68 ILE MD 3.700 . 5.400 3.342 3.342 3.342 . 0 0 "[ ]" 1
364 1 68 ILE H 1 68 ILE QG 2.600 . 3.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
365 1 68 ILE H 1 68 ILE MG 3.900 . 5.800 3.763 3.763 3.763 . 0 0 "[ ]" 1
366 1 20 THR HA 1 69 ALA H 3.200 . 4.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
367 1 68 ILE HA 1 69 ALA H 1.900 . 2.400 2.175 2.175 2.175 . 0 0 "[ ]" 1
368 1 68 ILE HB 1 69 ALA H 4.100 . 6.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
369 1 68 ILE MD 1 69 ALA H 3.000 . 4.100 4.181 4.181 4.181 0.081 1 0 "[ ]" 1
370 1 69 ALA H 1 69 ALA HA 2.900 . 4.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
371 1 69 ALA HA 1 70 TYR H 2.600 . 3.400 2.255 2.255 2.255 . 0 0 "[ ]" 1
372 1 70 TYR H 1 70 TYR HB3 2.800 . 3.800 3.287 3.287 3.287 . 0 0 "[ ]" 1
373 1 70 TYR HA 1 71 VAL H 2.300 . 2.900 2.223 2.223 2.223 . 0 0 "[ ]" 1
374 1 70 TYR HB2 1 71 VAL H 3.500 . 5.100 3.314 3.314 3.314 . 0 0 "[ ]" 1
375 1 71 VAL H 1 71 VAL HA 3.000 . 4.100 2.825 2.825 2.825 . 0 0 "[ ]" 1
376 1 71 VAL H 1 71 VAL HB 2.500 . 3.300 2.532 2.532 2.532 . 0 0 "[ ]" 1
377 1 71 VAL H 1 71 VAL MG1 2.900 . 3.900 3.256 3.256 3.256 . 0 0 "[ ]" 1
378 1 71 VAL HA 1 72 GLY H 2.300 . 3.000 2.173 2.173 2.173 . 0 0 "[ ]" 1
379 1 71 VAL MG2 1 72 GLY H 3.300 . 4.600 3.647 3.647 3.647 . 0 0 "[ ]" 1
380 1 8 LYS QG 1 73 LYS H 3.100 . 4.300 3.455 3.455 3.455 . 0 0 "[ ]" 1
381 1 71 VAL HA 1 73 LYS H 3.500 . 5.100 3.392 3.392 3.392 . 0 0 "[ ]" 1
382 1 72 GLY QA 1 73 LYS H 3.400 . 4.800 2.896 2.896 2.896 . 0 0 "[ ]" 1
383 1 72 GLY H 1 73 LYS H 2.700 . 3.600 2.183 2.183 2.183 . 0 0 "[ ]" 1
384 1 73 LYS H 1 73 LYS HA 2.700 . 3.600 2.875 2.875 2.875 . 0 0 "[ ]" 1
385 1 73 LYS H 1 73 LYS QB 2.600 . 3.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
386 1 8 LYS HA 1 75 LEU H 2.600 . 3.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
387 1 74 PRO HA 1 75 LEU H 2.000 . 2.500 2.273 2.273 2.273 . 0 0 "[ ]" 1
388 1 75 LEU H 1 75 LEU QB 2.800 . 3.800 2.553 2.553 2.553 . 0 0 "[ ]" 1
389 1 75 LEU H 1 76 VAL H 2.100 . 2.700 1.997 1.997 1.997 . 0 0 "[ ]" 1
390 1 7 PHE QB 1 76 VAL H 3.400 . 4.800 3.573 3.573 3.573 . 0 0 "[ ]" 1
391 1 8 LYS HA 1 76 VAL H 4.800 . 6.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
392 1 74 PRO HA 1 76 VAL H 4.000 . 6.000 4.086 4.086 4.086 . 0 0 "[ ]" 1
393 1 75 LEU HA 1 76 VAL H 3.500 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
394 1 75 LEU QB 1 76 VAL H 3.000 . 4.200 3.218 3.218 3.218 . 0 0 "[ ]" 1
395 1 75 LEU MD2 1 76 VAL H 3.800 . 5.600 3.299 3.299 3.299 . 0 0 "[ ]" 1
396 1 76 VAL H 1 76 VAL HA 2.800 . 3.800 2.931 2.931 2.931 . 0 0 "[ ]" 1
397 1 76 VAL H 1 76 VAL MG1 2.600 . 3.400 2.478 2.478 2.478 . 0 0 "[ ]" 1
398 1 76 VAL H 1 76 VAL MG2 3.800 . 5.600 3.881 3.881 3.881 . 0 0 "[ ]" 1
399 1 58 ILE HA 1 77 ASP H 4.400 . 6.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
400 1 60 LYS H 1 77 ASP H 2.700 . 3.600 3.267 3.267 3.267 . 0 0 "[ ]" 1
401 1 76 VAL HA 1 77 ASP H 2.200 . 2.800 2.247 2.247 2.247 . 0 0 "[ ]" 1
402 1 76 VAL MG2 1 77 ASP H 2.600 . 3.400 2.256 2.256 2.256 . 0 0 "[ ]" 1
403 1 77 ASP H 1 77 ASP HA 3.000 . 4.100 2.936 2.936 2.936 . 0 0 "[ ]" 1
404 1 77 ASP H 1 77 ASP HB3 3.400 . 4.900 3.750 3.750 3.750 . 0 0 "[ ]" 1
405 1 77 ASP H 1 77 ASP HB2 2.200 . 2.800 2.796 2.796 2.796 . 0 0 "[ ]" 1
406 1 5 VAL QG 1 78 ILE H 4.200 . 5.000 3.405 3.405 3.405 . 0 0 "[ ]" 1
407 1 6 GLN HA 1 78 ILE H 3.100 . 4.300 2.863 2.863 2.863 . 0 0 "[ ]" 1
408 1 77 ASP HA 1 78 ILE H 2.100 . 2.700 2.149 2.149 2.149 . 0 0 "[ ]" 1
409 1 77 ASP HB3 1 78 ILE H 3.700 . 5.400 3.369 3.369 3.369 . 0 0 "[ ]" 1
410 1 77 ASP HB2 1 78 ILE H 4.300 . 6.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
411 1 78 ILE H 1 78 ILE HA 2.700 . 3.600 2.935 2.935 2.935 . 0 0 "[ ]" 1
412 1 78 ILE H 1 78 ILE HB 2.900 . 4.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
413 1 78 ILE H 1 78 ILE QG 3.200 . 4.400 2.993 2.993 2.993 . 0 0 "[ ]" 1
414 1 56 GLY H 1 79 GLU H 4.200 . 6.000 6.013 6.013 6.013 0.013 1 0 "[ ]" 1
415 1 57 VAL HB 1 79 GLU H 3.200 . 4.500 3.249 3.249 3.249 . 0 0 "[ ]" 1
416 1 58 ILE HA 1 79 GLU H 4.000 . 6.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
417 1 78 ILE HA 1 79 GLU H 2.000 . 2.500 2.287 2.287 2.287 . 0 0 "[ ]" 1
418 1 78 ILE HB 1 79 GLU H 3.700 . 5.400 3.540 3.540 3.540 . 0 0 "[ ]" 1
419 1 78 ILE HG13 1 79 GLU H 3.800 . 5.600 4.720 4.720 4.720 . 0 0 "[ ]" 1
420 1 78 ILE MG 1 79 GLU H 2.700 . 3.600 2.423 2.423 2.423 . 0 0 "[ ]" 1
421 1 79 GLU H 1 79 GLU QB 2.700 . 3.600 2.256 2.256 2.256 . 0 0 "[ ]" 1
422 1 4 VAL HA 1 80 THR H 3.900 . 5.800 3.712 3.712 3.712 . 0 0 "[ ]" 1
423 1 79 GLU HA 1 80 THR H 2.200 . 2.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
424 1 79 GLU HG2 1 80 THR H 4.100 . 6.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
425 1 79 GLU H 1 80 THR H 4.100 . 6.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
426 1 80 THR H 1 80 THR HA 3.000 . 4.100 2.920 2.920 2.920 . 0 0 "[ ]" 1
427 1 80 THR H 1 80 THR HB 3.700 . 5.400 3.648 3.648 3.648 . 0 0 "[ ]" 1
428 1 80 THR H 1 80 THR MG 2.900 . 3.900 3.568 3.568 3.568 . 0 0 "[ ]" 1
429 1 80 THR HA 1 81 GLU H 3.900 . 5.800 2.351 2.351 2.351 . 0 0 "[ ]" 1
430 1 4 VAL MG1 1 5 VAL QG 3.400 . 4.800 4.492 4.492 4.492 . 0 0 "[ ]" 1
431 1 4 VAL HB 1 5 VAL QG 3.800 . 5.600 4.072 4.072 4.072 . 0 0 "[ ]" 1
432 1 5 VAL HA 1 5 VAL QG 2.600 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
433 1 9 LEU QB 1 9 LEU HG 2.900 . 3.900 2.162 2.162 2.162 . 0 0 "[ ]" 1
434 1 9 LEU HA 1 9 LEU QB 2.900 . 3.900 2.346 2.346 2.346 . 0 0 "[ ]" 1
435 1 9 LEU HA 1 9 LEU QD 2.300 . 2.900 2.278 2.278 2.278 . 0 0 "[ ]" 1
436 1 10 SER HA 1 10 SER QB 2.500 . 3.300 2.074 2.074 2.074 . 0 0 "[ ]" 1
437 1 12 ILE QG 1 12 ILE MG 2.800 . 3.800 1.337 1.337 1.337 0.463 1 0 "[ ]" 1
438 1 12 ILE HB 1 12 ILE MG 2.300 . 2.900 1.383 1.383 1.383 0.317 1 0 "[ ]" 1
439 1 12 ILE HB 1 12 ILE MD 2.900 . 4.000 2.703 2.703 2.703 . 0 0 "[ ]" 1
440 1 12 ILE HA 1 12 ILE MG 2.400 . 3.100 1.966 1.966 1.966 . 0 0 "[ ]" 1
441 1 12 ILE HA 1 12 ILE MD 3.500 . 5.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
442 1 16 ILE HA 1 16 ILE MD 3.600 . 5.200 3.767 3.767 3.767 . 0 0 "[ ]" 1
443 1 17 ARG QB 1 17 ARG QD 2.800 . 3.800 1.568 1.568 1.568 0.232 1 0 "[ ]" 1
444 1 17 ARG HA 1 17 ARG QD 3.600 . 5.200 3.121 3.121 3.121 . 0 0 "[ ]" 1
445 1 17 ARG HA 1 17 ARG QG 3.100 . 4.300 2.090 2.090 2.090 . 0 0 "[ ]" 1
446 1 18 GLU HA 1 18 GLU QG 3.300 . 4.600 2.329 2.329 2.329 . 0 0 "[ ]" 1
447 1 19 VAL HB 1 19 VAL MG2 2.300 . 2.900 2.036 2.036 2.036 . 0 0 "[ ]" 1
448 1 19 VAL HA 1 19 VAL HB 2.400 . 3.100 2.476 2.476 2.476 . 0 0 "[ ]" 1
449 1 19 VAL HB 1 43 SER HA 3.500 . 5.100 4.715 4.715 4.715 . 0 0 "[ ]" 1
450 1 20 THR HB 1 20 THR MG 2.100 . 2.600 1.850 1.850 1.850 . 0 0 "[ ]" 1
451 1 20 THR MG 1 21 VAL MG1 3.700 . 5.400 4.806 4.806 4.806 . 0 0 "[ ]" 1
452 1 20 THR HA 1 21 VAL MG2 3.700 . 5.400 3.753 3.753 3.753 . 0 0 "[ ]" 1
453 1 21 VAL HA 1 21 VAL MG1 2.600 . 3.400 2.437 2.437 2.437 . 0 0 "[ ]" 1
454 1 21 VAL HB 1 21 VAL MG2 2.400 . 3.100 2.033 2.033 2.033 . 0 0 "[ ]" 1
455 1 21 VAL HB 1 21 VAL MG1 2.200 . 2.800 2.031 2.031 2.031 . 0 0 "[ ]" 1
456 1 21 VAL HA 1 21 VAL MG2 2.300 . 3.000 2.515 2.515 2.515 . 0 0 "[ ]" 1
457 1 21 VAL HA 1 41 VAL HA 2.400 . 3.100 2.586 2.586 2.586 . 0 0 "[ ]" 1
458 1 21 VAL MG1 1 65 LEU MD1 3.000 . 4.100 4.226 4.226 4.226 0.126 1 0 "[ ]" 1
459 1 26 VAL HB 1 26 VAL MG2 2.200 . 2.800 2.012 2.012 2.012 . 0 0 "[ ]" 1
460 1 26 VAL HA 1 26 VAL HB 2.300 . 3.000 2.409 2.409 2.409 . 0 0 "[ ]" 1
461 1 26 VAL HA 1 26 VAL MG2 2.600 . 3.400 3.121 3.121 3.121 . 0 0 "[ ]" 1
462 1 27 LYS QB 1 27 LYS QD 2.500 . 3.300 2.000 2.000 2.000 . 0 0 "[ ]" 1
463 1 27 LYS QE 1 27 LYS QG 2.800 . 3.800 1.870 1.870 1.870 . 0 0 "[ ]" 1
464 1 27 LYS QD 1 27 LYS QG 1.800 . 2.200 0.903 0.903 0.903 0.497 1 0 "[ ]" 1
465 1 27 LYS QD 1 27 LYS QE 2.200 . 2.800 1.427 1.427 1.427 0.173 1 0 "[ ]" 1
466 1 27 LYS HA 1 27 LYS QE 3.300 . 4.700 3.550 3.550 3.550 . 0 0 "[ ]" 1
467 1 27 LYS HA 1 27 LYS QB 2.200 . 2.800 2.453 2.453 2.453 . 0 0 "[ ]" 1
468 1 28 GLU HA 1 28 GLU QB 2.500 . 3.300 2.261 2.261 2.261 . 0 0 "[ ]" 1
469 1 28 GLU QB 1 28 GLU QG 2.000 . 2.500 1.996 1.996 1.996 . 0 0 "[ ]" 1
470 1 28 GLU HA 1 28 GLU QG 2.600 . 3.400 2.731 2.731 2.731 . 0 0 "[ ]" 1
471 1 28 GLU HA 1 58 ILE MG 2.400 . 3.100 3.308 3.308 3.308 0.208 1 0 "[ ]" 1
472 1 28 GLU HA 1 58 ILE MD 3.600 . 5.200 5.325 5.325 5.325 0.125 1 0 "[ ]" 1
473 1 28 GLU QG 1 61 LEU MD1 3.200 . 4.500 3.113 3.113 3.113 . 0 0 "[ ]" 1
474 1 32 VAL HB 1 55 ASP HB3 3.800 . 5.600 5.822 5.822 5.822 0.222 1 0 "[ ]" 1
475 1 33 SER HA 1 33 SER HB3 2.900 . 3.900 2.533 2.533 2.533 . 0 0 "[ ]" 1
476 1 33 SER HA 1 55 ASP HA 2.600 . 3.400 2.298 2.298 2.298 . 0 0 "[ ]" 1
477 1 34 GLN HA 1 34 GLN QG 2.800 . 3.800 2.072 2.072 2.072 . 0 0 "[ ]" 1
478 1 34 GLN HA 1 34 GLN QB 2.600 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
479 1 34 GLN HA 1 35 PHE QB 3.700 . 5.400 5.222 5.222 5.222 . 0 0 "[ ]" 1
480 1 34 GLN HA 1 52 SER QB 3.100 . 4.300 2.822 2.822 2.822 . 0 0 "[ ]" 1
481 1 34 GLN HA 1 52 SER HA 3.700 . 5.500 5.091 5.091 5.091 . 0 0 "[ ]" 1
482 1 34 GLN HA 1 53 ARG QB 3.400 . 4.900 4.670 4.670 4.670 . 0 0 "[ ]" 1
483 1 37 SER HA 1 37 SER QB 2.500 . 3.300 2.145 2.145 2.145 . 0 0 "[ ]" 1
484 1 37 SER QB 1 38 ILE HG13 3.300 . 4.600 4.608 4.608 4.608 0.008 1 0 "[ ]" 1
485 1 22 LYS HB3 1 40 GLU HB2 3.200 . 4.400 4.208 4.208 4.208 . 0 0 "[ ]" 1
486 1 23 GLU QB 1 40 GLU HB2 2.200 . 2.800 2.121 2.121 2.121 . 0 0 "[ ]" 1
487 1 40 GLU HA 1 49 THR HA 2.900 . 3.900 2.424 2.424 2.424 . 0 0 "[ ]" 1
488 1 21 VAL MG1 1 41 VAL MG1 2.500 . 3.300 3.177 3.177 3.177 . 0 0 "[ ]" 1
489 1 21 VAL MG2 1 41 VAL MG1 1.900 . 2.400 2.642 2.642 2.642 0.242 1 0 "[ ]" 1
490 1 21 VAL HA 1 41 VAL MG1 2.600 . 3.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
491 1 22 LYS HB2 1 41 VAL MG1 3.900 . 5.800 4.838 4.838 4.838 . 0 0 "[ ]" 1
492 1 41 VAL HA 1 41 VAL MG2 3.200 . 4.500 3.136 3.136 3.136 . 0 0 "[ ]" 1
493 1 41 VAL HA 1 41 VAL HB 2.700 . 3.600 2.420 2.420 2.420 . 0 0 "[ ]" 1
494 1 41 VAL HB 1 41 VAL MG1 2.300 . 2.900 2.028 2.028 2.028 . 0 0 "[ ]" 1
495 1 41 VAL HA 1 41 VAL MG1 2.300 . 3.000 2.458 2.458 2.458 . 0 0 "[ ]" 1
496 1 42 GLN HA 1 42 GLN QG 2.900 . 4.000 2.330 2.330 2.330 . 0 0 "[ ]" 1
497 1 19 VAL MG2 1 43 SER QB 3.200 . 4.500 2.840 2.840 2.840 . 0 0 "[ ]" 1
498 1 43 SER HA 1 43 SER QB 2.900 . 3.900 2.274 2.274 2.274 . 0 0 "[ ]" 1
499 1 42 GLN HA 1 47 SER HA 2.700 . 3.600 2.082 2.082 2.082 . 0 0 "[ ]" 1
500 1 47 SER HA 1 47 SER QB 2.900 . 3.900 2.141 2.141 2.141 . 0 0 "[ ]" 1
501 1 38 ILE HB 1 50 ILE QG 3.300 . 4.700 4.548 4.548 4.548 . 0 0 "[ ]" 1
502 1 50 ILE MD 1 50 ILE MG 2.500 . 3.300 2.323 2.323 2.323 . 0 0 "[ ]" 1
503 1 50 ILE HB 1 50 ILE MG 2.300 . 2.900 2.019 2.019 2.019 . 0 0 "[ ]" 1
504 1 50 ILE QG 1 50 ILE MG 2.500 . 3.300 2.314 2.314 2.314 . 0 0 "[ ]" 1
505 1 50 ILE HA 1 50 ILE MG 2.500 . 3.300 2.429 2.429 2.429 . 0 0 "[ ]" 1
506 1 37 SER HA 1 51 THR HA 2.900 . 3.900 2.662 2.662 2.662 . 0 0 "[ ]" 1
507 1 51 THR HA 1 51 THR MG 2.900 . 4.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
508 1 51 THR HA 1 51 THR HB 2.800 . 3.800 2.565 2.565 2.565 . 0 0 "[ ]" 1
509 1 38 ILE MD 1 52 SER QB 3.200 . 4.500 4.480 4.480 4.480 . 0 0 "[ ]" 1
510 1 52 SER HA 1 52 SER QB 2.500 . 3.300 2.343 2.343 2.343 . 0 0 "[ ]" 1
511 1 53 ARG QB 1 53 ARG HD2 2.500 . 3.300 0.829 0.829 0.829 0.871 1 1 [+] 1
512 1 53 ARG HA 1 53 ARG QD 3.100 . 4.300 2.772 2.772 2.772 . 0 0 "[ ]" 1
513 1 54 TYR HA 1 54 TYR HB3 2.700 . 3.600 2.764 2.764 2.764 . 0 0 "[ ]" 1
514 1 54 TYR HA 1 54 TYR HB2 3.000 . 4.100 2.884 2.884 2.884 . 0 0 "[ ]" 1
515 1 33 SER HA 1 55 ASP HB2 3.200 . 4.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
516 1 55 ASP HA 1 55 ASP HB2 2.600 . 3.500 2.602 2.602 2.602 . 0 0 "[ ]" 1
517 1 55 ASP HA 1 55 ASP HB3 2.600 . 3.400 2.281 2.281 2.281 . 0 0 "[ ]" 1
518 1 29 GLY QA 1 57 VAL MG1 2.800 . 3.800 3.602 3.602 3.602 . 0 0 "[ ]" 1
519 1 31 THR MG 1 57 VAL MG1 3.600 . 5.200 3.854 3.854 3.854 . 0 0 "[ ]" 1
520 1 57 VAL HB 1 57 VAL MG1 2.100 . 2.700 2.021 2.021 2.021 . 0 0 "[ ]" 1
521 1 57 VAL MG1 1 58 ILE QG 3.900 . 5.800 4.488 4.488 4.488 . 0 0 "[ ]" 1
522 1 57 VAL MG1 1 59 LYS HB2 3.100 . 4.300 4.184 4.184 4.184 . 0 0 "[ ]" 1
523 1 57 VAL MG1 1 79 GLU QB 3.500 . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
524 1 58 ILE MD 1 58 ILE MG 1.800 . 2.200 2.407 2.407 2.407 0.207 1 0 "[ ]" 1
525 1 58 ILE QG 1 58 ILE MG 2.300 . 2.900 2.331 2.331 2.331 . 0 0 "[ ]" 1
526 1 58 ILE HB 1 58 ILE MG 2.100 . 2.600 2.032 2.032 2.032 . 0 0 "[ ]" 1
527 1 58 ILE HA 1 58 ILE MG 2.300 . 2.900 2.399 2.399 2.399 . 0 0 "[ ]" 1
528 1 58 ILE MG 1 77 ASP HB2 3.600 . 5.200 5.001 5.001 5.001 . 0 0 "[ ]" 1
529 1 58 ILE MG 1 78 ILE MG 2.500 . 3.300 3.420 3.420 3.420 0.120 1 0 "[ ]" 1
530 1 59 LYS HB3 1 60 LYS QE 3.200 . 4.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
531 1 60 LYS QE 1 60 LYS QG 2.700 . 3.600 2.183 2.183 2.183 . 0 0 "[ ]" 1
532 1 60 LYS HA 1 60 LYS HB2 2.500 . 3.300 2.317 2.317 2.317 . 0 0 "[ ]" 1
533 1 60 LYS HA 1 60 LYS HB3 2.700 . 3.600 2.446 2.446 2.446 . 0 0 "[ ]" 1
534 1 27 LYS HA 1 61 LEU MD2 3.400 . 4.800 4.053 4.053 4.053 . 0 0 "[ ]" 1
535 1 28 GLU HA 1 61 LEU MD1 3.100 . 4.300 3.180 3.180 3.180 . 0 0 "[ ]" 1
536 1 61 LEU HB2 1 61 LEU MD1 2.800 . 3.800 2.103 2.103 2.103 . 0 0 "[ ]" 1
537 1 61 LEU HB2 1 61 LEU HG 2.500 . 3.300 2.638 2.638 2.638 . 0 0 "[ ]" 1
538 1 61 LEU HB3 1 61 LEU HG 2.800 . 3.800 2.865 2.865 2.865 . 0 0 "[ ]" 1
539 1 61 LEU MD1 1 61 LEU HG 2.200 . 2.800 1.807 1.807 1.807 . 0 0 "[ ]" 1
540 1 61 LEU MD2 1 61 LEU HG 2.200 . 2.800 1.782 1.782 1.782 . 0 0 "[ ]" 1
541 1 61 LEU HB3 1 61 LEU MD1 3.100 . 4.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
542 1 61 LEU HB3 1 61 LEU MD2 2.400 . 3.100 2.178 2.178 2.178 . 0 0 "[ ]" 1
543 1 61 LEU HB2 1 61 LEU MD2 2.900 . 4.000 2.920 2.920 2.920 . 0 0 "[ ]" 1
544 1 61 LEU HA 1 61 LEU HB3 2.500 . 3.300 2.508 2.508 2.508 . 0 0 "[ ]" 1
545 1 61 LEU HA 1 61 LEU MD2 2.700 . 3.600 2.721 2.721 2.721 . 0 0 "[ ]" 1
546 1 61 LEU HA 1 61 LEU MD1 3.700 . 5.400 3.630 3.630 3.630 . 0 0 "[ ]" 1
547 1 61 LEU MD2 1 75 LEU HG 3.600 . 5.200 4.919 4.919 4.919 . 0 0 "[ ]" 1
548 1 61 LEU MD2 1 76 VAL MG1 2.700 . 3.600 3.141 3.141 3.141 . 0 0 "[ ]" 1
549 1 63 TYR HA 1 63 TYR HB3 2.900 . 3.900 2.445 2.445 2.445 . 0 0 "[ ]" 1
550 1 63 TYR HB2 1 67 ASP HB3 4.300 . 6.000 4.716 4.716 4.716 . 0 0 "[ ]" 1
551 1 64 ASN HA 1 64 ASN HB2 2.700 . 3.600 3.016 3.016 3.016 . 0 0 "[ ]" 1
552 1 21 VAL HB 1 65 LEU HB3 4.000 . 6.000 4.624 4.624 4.624 . 0 0 "[ ]" 1
553 1 21 VAL HB 1 65 LEU HG 2.800 . 3.800 3.683 3.683 3.683 . 0 0 "[ ]" 1
554 1 23 GLU HA 1 65 LEU MD2 3.000 . 4.100 2.504 2.504 2.504 . 0 0 "[ ]" 1
555 1 65 LEU HA 1 65 LEU MD1 3.300 . 4.600 3.535 3.535 3.535 . 0 0 "[ ]" 1
556 1 65 LEU HB3 1 65 LEU MD1 3.400 . 4.800 2.851 2.851 2.851 . 0 0 "[ ]" 1
557 1 65 LEU HB2 1 65 LEU MD1 2.700 . 3.600 2.148 2.148 2.148 . 0 0 "[ ]" 1
558 1 65 LEU HB3 1 65 LEU MD2 2.400 . 3.100 2.155 2.155 2.155 . 0 0 "[ ]" 1
559 1 65 LEU HB2 1 65 LEU MD2 3.400 . 4.800 2.891 2.891 2.891 . 0 0 "[ ]" 1
560 1 65 LEU HB3 1 65 LEU HG 2.500 . 3.300 2.845 2.845 2.845 . 0 0 "[ ]" 1
561 1 65 LEU HB2 1 65 LEU HG 2.500 . 3.300 2.817 2.817 2.817 . 0 0 "[ ]" 1
562 1 65 LEU MD2 1 65 LEU HG 2.100 . 2.700 1.954 1.954 1.954 . 0 0 "[ ]" 1
563 1 65 LEU HA 1 65 LEU HB2 2.400 . 3.100 2.988 2.988 2.988 . 0 0 "[ ]" 1
564 1 65 LEU HA 1 65 LEU HB3 2.800 . 3.800 2.574 2.574 2.574 . 0 0 "[ ]" 1
565 1 63 TYR HB3 1 67 ASP HB3 2.800 . 3.800 3.177 3.177 3.177 . 0 0 "[ ]" 1
566 1 63 TYR HB3 1 67 ASP HB2 2.900 . 3.900 2.778 2.778 2.778 . 0 0 "[ ]" 1
567 1 67 ASP HA 1 67 ASP HB2 2.700 . 3.600 2.874 2.874 2.874 . 0 0 "[ ]" 1
568 1 67 ASP HA 1 67 ASP HB3 3.000 . 4.100 2.488 2.488 2.488 . 0 0 "[ ]" 1
569 1 20 THR MG 1 68 ILE MG 3.800 . 5.700 3.942 3.942 3.942 . 0 0 "[ ]" 1
570 1 68 ILE MD 1 68 ILE MG 2.400 . 3.100 2.154 2.154 2.154 . 0 0 "[ ]" 1
571 1 68 ILE HB 1 68 ILE MD 3.300 . 4.600 3.055 3.055 3.055 . 0 0 "[ ]" 1
572 1 68 ILE QG 1 68 ILE MG 2.700 . 3.600 2.437 2.437 2.437 . 0 0 "[ ]" 1
573 1 68 ILE HB 1 68 ILE QG 2.500 . 3.300 2.144 2.144 2.144 . 0 0 "[ ]" 1
574 1 68 ILE HB 1 68 ILE MG 2.100 . 2.600 1.993 1.993 1.993 . 0 0 "[ ]" 1
575 1 68 ILE HA 1 68 ILE MG 2.300 . 3.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
576 1 9 LEU QD 1 71 VAL HA 2.900 . 4.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
577 1 9 LEU HG 1 71 VAL HA 3.400 . 4.800 4.597 4.597 4.597 . 0 0 "[ ]" 1
578 1 9 LEU QB 1 71 VAL HA 2.800 . 3.800 2.740 2.740 2.740 . 0 0 "[ ]" 1
579 1 71 VAL HA 1 71 VAL MG2 2.600 . 3.400 2.285 2.285 2.285 . 0 0 "[ ]" 1
580 1 71 VAL HA 1 71 VAL MG1 2.900 . 4.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
581 1 73 LYS QB 1 73 LYS QE 2.800 . 3.800 2.466 2.466 2.466 . 0 0 "[ ]" 1
582 1 73 LYS HA 1 73 LYS HE3 3.300 . 4.600 3.992 3.992 3.992 . 0 0 "[ ]" 1
583 1 73 LYS HE3 1 74 PRO QD 3.200 . 4.500 3.522 3.522 3.522 . 0 0 "[ ]" 1
584 1 8 LYS HA 1 74 PRO HA 2.300 . 3.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
585 1 73 LYS QB 1 74 PRO QD 3.500 . 5.000 3.182 3.182 3.182 . 0 0 "[ ]" 1
586 1 73 LYS HA 1 74 PRO QD 2.600 . 3.400 1.870 1.870 1.870 . 0 0 "[ ]" 1
587 1 74 PRO QB 1 74 PRO QG 2.800 . 3.700 1.959 1.959 1.959 . 0 0 "[ ]" 1
588 1 75 LEU QB 1 75 LEU MD1 2.600 . 3.400 1.520 1.520 1.520 0.280 1 0 "[ ]" 1
589 1 75 LEU QB 1 76 VAL MG1 3.700 . 5.400 4.026 4.026 4.026 . 0 0 "[ ]" 1
590 1 75 LEU QB 1 76 VAL MG2 3.900 . 5.800 5.244 5.244 5.244 . 0 0 "[ ]" 1
591 1 7 PHE QB 1 76 VAL MG2 4.400 . 6.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
592 1 58 ILE MD 1 76 VAL MG2 2.900 . 4.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
593 1 60 LYS QD 1 76 VAL MG2 2.400 . 3.100 3.414 3.414 3.414 0.314 1 0 "[ ]" 1
594 1 61 LEU MD2 1 76 VAL MG2 2.400 . 3.100 2.402 2.402 2.402 . 0 0 "[ ]" 1
595 1 61 LEU HA 1 76 VAL HA 3.000 . 4.100 3.587 3.587 3.587 . 0 0 "[ ]" 1
596 1 61 LEU HA 1 76 VAL MG2 2.600 . 3.400 3.246 3.246 3.246 . 0 0 "[ ]" 1
597 1 76 VAL HB 1 76 VAL MG1 2.400 . 3.100 2.023 2.023 2.023 . 0 0 "[ ]" 1
598 1 76 VAL HB 1 76 VAL MG2 2.400 . 3.100 2.032 2.032 2.032 . 0 0 "[ ]" 1
599 1 76 VAL HA 1 76 VAL HB 2.400 . 3.100 2.431 2.431 2.431 . 0 0 "[ ]" 1
600 1 76 VAL HA 1 76 VAL MG2 2.600 . 3.400 2.439 2.439 2.439 . 0 0 "[ ]" 1
601 1 6 GLN HA 1 77 ASP HA 2.500 . 3.300 2.166 2.166 2.166 . 0 0 "[ ]" 1
602 1 77 ASP HA 1 77 ASP HB2 2.600 . 3.400 2.992 2.992 2.992 . 0 0 "[ ]" 1
603 1 77 ASP HB2 1 78 ILE QG 3.400 . 4.800 4.750 4.750 4.750 . 0 0 "[ ]" 1
604 1 77 ASP HA 1 78 ILE QG 3.500 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
605 1 5 VAL QG 1 78 ILE QG 3.800 . 5.600 4.302 4.302 4.302 . 0 0 "[ ]" 1
606 1 78 ILE HB 1 78 ILE MD 2.400 . 3.100 2.318 2.318 2.318 . 0 0 "[ ]" 1
607 1 78 ILE MD 1 78 ILE QG 1.800 . 2.200 1.793 1.793 1.793 . 0 0 "[ ]" 1
608 1 78 ILE QG 1 78 ILE MG 2.100 . 2.600 2.145 2.145 2.145 . 0 0 "[ ]" 1
609 1 78 ILE HB 1 78 ILE MG 2.200 . 2.800 2.025 2.025 2.025 . 0 0 "[ ]" 1
610 1 78 ILE HA 1 78 ILE HB 2.900 . 4.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
611 1 78 ILE HA 1 78 ILE MG 2.300 . 2.900 2.279 2.279 2.279 . 0 0 "[ ]" 1
612 1 78 ILE HA 1 78 ILE MD 3.800 . 5.600 3.608 3.608 3.608 . 0 0 "[ ]" 1
613 1 78 ILE MG 1 79 GLU QB 3.800 . 5.600 4.007 4.007 4.007 . 0 0 "[ ]" 1
614 1 78 ILE MG 1 80 THR MG 2.700 . 3.600 3.303 3.303 3.303 . 0 0 "[ ]" 1
615 1 80 THR HB 1 80 THR MG 2.300 . 3.000 1.973 1.973 1.973 . 0 0 "[ ]" 1
616 1 80 THR HA 1 80 THR MG 2.600 . 3.500 2.258 2.258 2.258 . 0 0 "[ ]" 1
617 1 83 LEU HA 1 83 LEU QB 2.600 . 3.400 2.478 2.478 2.478 . 0 0 "[ ]" 1
618 1 86 LEU QB 1 86 LEU MD1 2.500 . 3.300 1.424 1.424 1.424 0.276 1 0 "[ ]" 1
619 1 4 VAL QG 1 59 LYS QD 3.100 . 4.300 4.073 4.073 4.073 . 0 0 "[ ]" 1
620 1 4 VAL QG 1 59 LYS HB2 3.100 . 4.300 4.243 4.243 4.243 . 0 0 "[ ]" 1
621 1 4 VAL MG2 1 77 ASP HA 2.800 . 3.800 3.653 3.653 3.653 . 0 0 "[ ]" 1
622 1 4 VAL HB 1 77 ASP HB2 2.900 . 4.000 4.044 4.044 4.044 0.044 1 0 "[ ]" 1
623 1 4 VAL QG 1 77 ASP HB2 2.300 . 3.000 3.072 3.072 3.072 0.072 1 0 "[ ]" 1
624 1 4 VAL HB 1 78 ILE MD 3.800 . 5.600 4.880 4.880 4.880 . 0 0 "[ ]" 1
625 1 4 VAL QG 1 79 GLU HA 3.100 . 4.300 3.093 3.093 3.093 . 0 0 "[ ]" 1
626 1 4 VAL HB 1 79 GLU QG 2.500 . 3.300 3.351 3.351 3.351 0.051 1 0 "[ ]" 1
627 1 5 VAL QG 1 78 ILE MD 2.100 . 2.600 3.200 3.200 3.200 0.600 1 1 [+] 1
628 1 5 VAL QG 1 80 THR HB 3.400 . 4.800 3.415 3.415 3.415 . 0 0 "[ ]" 1
629 1 5 VAL QG 1 80 THR MG 2.500 . 3.300 3.297 3.297 3.297 . 0 0 "[ ]" 1
630 1 7 PHE QB 1 75 LEU MD2 3.400 . 4.900 3.896 3.896 3.896 . 0 0 "[ ]" 1
631 1 8 LYS QE 1 73 LYS HA 2.900 . 4.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
632 1 8 LYS QE 1 74 PRO HA 3.100 . 4.300 3.505 3.505 3.505 . 0 0 "[ ]" 1
633 1 12 ILE MG 1 19 VAL MG1 3.800 . 5.600 4.248 4.248 4.248 . 0 0 "[ ]" 1
634 1 12 ILE MD 1 43 SER QB 3.400 . 4.800 3.704 3.704 3.704 . 0 0 "[ ]" 1
635 1 18 GLU QG 1 68 ILE MG 3.500 . 5.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
636 1 9 LEU QD 1 19 VAL MG1 2.600 . 3.500 1.677 1.677 1.677 0.023 1 0 "[ ]" 1
637 1 12 ILE MD 1 19 VAL MG1 2.000 . 2.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
638 1 19 VAL MG1 1 41 VAL HA 3.300 . 4.600 4.596 4.596 4.596 . 0 0 "[ ]" 1
639 1 19 VAL MG1 1 41 VAL HB 2.500 . 3.300 2.605 2.605 2.605 . 0 0 "[ ]" 1
640 1 19 VAL MG1 1 41 VAL MG2 2.400 . 3.100 2.645 2.645 2.645 . 0 0 "[ ]" 1
641 1 20 THR MG 1 41 VAL HA 4.200 . 6.000 5.868 5.868 5.868 . 0 0 "[ ]" 1
642 1 21 VAL MG1 1 39 CYS QB 2.900 . 4.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
643 1 21 VAL MG1 1 41 VAL HA 3.600 . 5.200 3.959 3.959 3.959 . 0 0 "[ ]" 1
644 1 21 VAL MG1 1 65 LEU HA 2.600 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
645 1 22 LYS QE 1 42 GLN QB 3.200 . 4.500 3.602 3.602 3.602 . 0 0 "[ ]" 1
646 1 26 VAL MG2 1 38 ILE HA 2.600 . 3.400 2.508 2.508 2.508 . 0 0 "[ ]" 1
647 1 26 VAL MG2 1 58 ILE HB 3.700 . 5.500 4.089 4.089 4.089 . 0 0 "[ ]" 1
648 1 26 VAL MG2 1 58 ILE MG 3.400 . 4.800 3.165 3.165 3.165 . 0 0 "[ ]" 1
649 1 26 VAL MG2 1 61 LEU HG 3.100 . 4.300 3.815 3.815 3.815 . 0 0 "[ ]" 1
650 1 26 VAL MG2 1 61 LEU MD2 3.300 . 4.700 2.468 2.468 2.468 . 0 0 "[ ]" 1
651 1 28 GLU QG 1 58 ILE MG 3.200 . 4.500 4.568 4.568 4.568 0.068 1 0 "[ ]" 1
652 1 28 GLU QG 1 60 LYS HA 2.500 . 3.300 2.388 2.388 2.388 . 0 0 "[ ]" 1
653 1 28 GLU QG 1 61 LEU HA 3.700 . 5.400 4.203 4.203 4.203 . 0 0 "[ ]" 1
654 1 28 GLU QG 1 61 LEU HG 3.000 . 4.100 3.824 3.824 3.824 . 0 0 "[ ]" 1
655 1 28 GLU QG 1 61 LEU MD2 4.000 . 6.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
656 1 32 VAL MG1 1 36 ASP QB 2.900 . 4.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
657 1 32 VAL HB 1 36 ASP QB 3.600 . 5.200 4.132 4.132 4.132 . 0 0 "[ ]" 1
658 1 32 VAL MG1 1 37 SER HA 2.800 . 3.800 3.872 3.872 3.872 0.072 1 0 "[ ]" 1
659 1 32 VAL MG1 1 52 SER QB 3.200 . 4.500 3.647 3.647 3.647 . 0 0 "[ ]" 1
660 1 32 VAL MG1 1 55 ASP HA 3.600 . 5.300 5.110 5.110 5.110 . 0 0 "[ ]" 1
661 1 32 VAL MG1 1 58 ILE HA 4.500 . 6.000 5.981 5.981 5.981 . 0 0 "[ ]" 1
662 1 32 VAL MG1 1 58 ILE MD 1.900 . 2.300 2.234 2.234 2.234 . 0 0 "[ ]" 1
663 1 32 VAL HB 1 58 ILE MD 3.900 . 5.800 4.092 4.092 4.092 . 0 0 "[ ]" 1
664 1 32 VAL MG1 1 58 ILE MG 3.400 . 4.900 4.625 4.625 4.625 . 0 0 "[ ]" 1
665 1 32 VAL MG1 1 78 ILE MG 3.600 . 5.200 3.778 3.778 3.778 . 0 0 "[ ]" 1
666 1 25 TYR QB 1 36 ASP HB2 3.100 . 4.300 3.826 3.826 3.826 . 0 0 "[ ]" 1
667 1 32 VAL HA 1 36 ASP QB 3.400 . 4.800 2.995 2.995 2.995 . 0 0 "[ ]" 1
668 1 32 VAL MG2 1 36 ASP QB 3.900 . 5.800 4.807 4.807 4.807 . 0 0 "[ ]" 1
669 1 7 PHE QD 1 38 ILE MG 3.400 . 4.800 4.155 4.155 4.155 . 0 0 "[ ]" 1
670 1 7 PHE QB 1 38 ILE MD 2.800 . 3.800 3.859 3.859 3.859 0.059 1 0 "[ ]" 1
671 1 7 PHE QB 1 38 ILE MG 2.900 . 4.000 3.998 3.998 3.998 . 0 0 "[ ]" 1
672 1 38 ILE MD 1 50 ILE MG 2.600 . 3.400 3.672 3.672 3.672 0.272 1 0 "[ ]" 1
673 1 38 ILE HB 1 50 ILE MG 2.700 . 3.600 3.063 3.063 3.063 . 0 0 "[ ]" 1
674 1 38 ILE MG 1 61 LEU MD2 2.900 . 4.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
675 1 38 ILE MG 1 78 ILE HB 4.000 . 6.000 5.377 5.377 5.377 . 0 0 "[ ]" 1
676 1 38 ILE MG 1 78 ILE MD 3.000 . 4.200 3.568 3.568 3.568 . 0 0 "[ ]" 1
677 1 19 VAL HA 1 41 VAL MG2 3.800 . 5.600 5.695 5.695 5.695 0.095 1 0 "[ ]" 1
678 1 41 VAL MG2 1 48 VAL MG2 2.700 . 3.600 2.876 2.876 2.876 . 0 0 "[ ]" 1
679 1 42 GLN QB 1 47 SER HA 3.800 . 5.600 3.599 3.599 3.599 . 0 0 "[ ]" 1
680 1 40 GLU HA 1 49 THR MG 3.200 . 4.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
681 1 7 PHE QE 1 50 ILE MG 3.800 . 5.600 3.540 3.540 3.540 . 0 0 "[ ]" 1
682 1 38 ILE MD 1 50 ILE HB 3.800 . 5.600 5.044 5.044 5.044 . 0 0 "[ ]" 1
683 1 37 SER QB 1 51 THR MG 3.000 . 4.100 3.305 3.305 3.305 . 0 0 "[ ]" 1
684 1 33 SER HA 1 55 ASP HB3 3.300 . 4.600 3.077 3.077 3.077 . 0 0 "[ ]" 1
685 1 26 VAL HB 1 58 ILE MD 2.500 . 3.300 1.844 1.844 1.844 . 0 0 "[ ]" 1
686 1 26 VAL HB 1 58 ILE MG 3.500 . 5.100 3.791 3.791 3.791 . 0 0 "[ ]" 1
687 1 26 VAL MG1 1 58 ILE MD 2.000 . 2.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
688 1 27 LYS HA 1 58 ILE MG 3.500 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
689 1 28 GLU HA 1 58 ILE HB 2.900 . 4.000 4.022 4.022 4.022 0.022 1 0 "[ ]" 1
690 1 32 VAL MG2 1 58 ILE MG 4.100 . 6.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
691 1 32 VAL MG2 1 58 ILE MD 2.000 . 2.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
692 1 38 ILE MG 1 58 ILE MG 2.400 . 3.100 3.410 3.410 3.410 0.310 1 0 "[ ]" 1
693 1 38 ILE MG 1 58 ILE MD 2.300 . 3.000 2.687 2.687 2.687 . 0 0 "[ ]" 1
694 1 38 ILE MG 1 58 ILE HB 3.800 . 5.600 5.105 5.105 5.105 . 0 0 "[ ]" 1
695 1 58 ILE MG 1 61 LEU HA 3.700 . 5.400 4.308 4.308 4.308 . 0 0 "[ ]" 1
696 1 58 ILE MG 1 61 LEU HG 2.000 . 2.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
697 1 58 ILE MG 1 61 LEU MD2 2.200 . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
698 1 58 ILE MG 1 78 ILE HA 3.500 . 5.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
699 1 58 ILE MD 1 78 ILE MG 3.100 . 4.300 3.007 3.007 3.007 . 0 0 "[ ]" 1
700 1 58 ILE HB 1 78 ILE MG 4.000 . 6.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
701 1 60 LYS HB3 1 77 ASP HB2 4.700 . 6.000 5.557 5.557 5.557 . 0 0 "[ ]" 1
702 1 38 ILE MG 1 61 LEU HG 3.200 . 4.500 4.489 4.489 4.489 . 0 0 "[ ]" 1
703 1 18 GLU HA 1 68 ILE MG 3.400 . 4.800 3.516 3.516 3.516 . 0 0 "[ ]" 1
704 1 18 GLU QB 1 68 ILE MG 2.400 . 3.100 1.859 1.859 1.859 . 0 0 "[ ]" 1
705 1 19 VAL HA 1 68 ILE MD 3.100 . 4.300 3.716 3.716 3.716 . 0 0 "[ ]" 1
706 1 20 THR HA 1 68 ILE MG 2.900 . 4.000 3.246 3.246 3.246 . 0 0 "[ ]" 1
707 1 20 THR HA 1 68 ILE MD 2.600 . 3.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
708 1 6 GLN QG 1 74 PRO HG3 3.300 . 4.600 4.448 4.448 4.448 . 0 0 "[ ]" 1
709 1 6 GLN HB3 1 74 PRO QB 2.600 . 3.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
710 1 8 LYS HE2 1 74 PRO HG2 2.600 . 3.400 2.661 2.661 2.661 . 0 0 "[ ]" 1
711 1 7 PHE QD 1 76 VAL MG1 3.000 . 4.100 2.435 2.435 2.435 . 0 0 "[ ]" 1
712 1 7 PHE QB 1 76 VAL MG1 2.300 . 3.000 1.942 1.942 1.942 . 0 0 "[ ]" 1
713 1 38 ILE MG 1 76 VAL MG1 2.100 . 2.700 2.772 2.772 2.772 0.072 1 0 "[ ]" 1
714 1 38 ILE MD 1 76 VAL MG1 2.500 . 3.300 3.445 3.445 3.445 0.145 1 0 "[ ]" 1
715 1 61 LEU HG 1 76 VAL HB 3.400 . 4.800 3.672 3.672 3.672 . 0 0 "[ ]" 1
716 1 5 VAL QG 1 78 ILE HB 2.500 . 3.300 2.844 2.844 2.844 . 0 0 "[ ]" 1
717 1 7 PHE QB 1 78 ILE MD 3.100 . 4.300 2.631 2.631 2.631 . 0 0 "[ ]" 1
718 1 38 ILE MD 1 78 ILE MG 2.700 . 3.600 2.633 2.633 2.633 . 0 0 "[ ]" 1
719 1 38 ILE MD 1 78 ILE MD 2.500 . 3.300 2.579 2.579 2.579 . 0 0 "[ ]" 1
720 1 56 GLY QA 1 78 ILE MG 2.500 . 3.300 2.708 2.708 2.708 . 0 0 "[ ]" 1
721 1 5 VAL QG 1 79 GLU QG 3.900 . 5.800 4.405 4.405 4.405 . 0 0 "[ ]" 1
722 1 56 GLY QA 1 80 THR MG 3.000 . 4.100 2.304 2.304 2.304 . 0 0 "[ ]" 1
723 1 74 PRO HA 1 74 PRO QD 2.700 . 3.600 3.377 3.377 3.377 . 0 0 "[ ]" 1
724 1 54 TYR HB3 1 55 ASP HB3 4.100 . 6.000 5.436 5.436 5.436 . 0 0 "[ ]" 1
725 1 27 LYS QE 1 64 ASN HD21 3.300 . 4.700 4.432 4.432 4.432 . 0 0 "[ ]" 1
726 1 86 LEU QB 1 87 GLU QG 3.400 . 4.800 1.956 1.956 1.956 0.044 1 0 "[ ]" 1
727 1 8 LYS QE 1 74 PRO HD2 2.900 . 3.900 3.084 3.084 3.084 . 0 0 "[ ]" 1
728 1 11 ASP QB 1 45 LYS QE 3.200 . 4.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
729 1 64 ASN HB2 1 65 LEU MD1 4.300 . 6.000 4.958 4.958 4.958 . 0 0 "[ ]" 1
730 1 26 VAL HB 1 30 ASP QB 3.100 . 4.300 3.256 3.256 3.256 . 0 0 "[ ]" 1
731 1 30 ASP HA 1 30 ASP QB 2.500 . 3.300 2.455 2.455 2.455 . 0 0 "[ ]" 1
732 1 64 ASN HB3 1 65 LEU MD1 4.700 . 6.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
733 1 24 TRP HB3 1 64 ASN HB3 3.800 . 5.600 5.647 5.647 5.647 0.047 1 0 "[ ]" 1
734 1 64 ASN HB3 1 65 LEU HB3 3.400 . 4.900 5.054 5.054 5.054 0.154 1 0 "[ ]" 1
735 1 21 VAL HB 1 64 ASN HB2 3.800 . 5.600 5.370 5.370 5.370 . 0 0 "[ ]" 1
736 1 70 TYR HA 1 70 TYR HB3 2.900 . 4.000 2.239 2.239 2.239 . 0 0 "[ ]" 1
737 1 44 ASP HA 1 44 ASP QB 2.500 . 3.300 2.233 2.233 2.233 . 0 0 "[ ]" 1
738 1 70 TYR HA 1 70 TYR HB2 2.700 . 3.600 2.569 2.569 2.569 . 0 0 "[ ]" 1
739 1 38 ILE HA 1 38 ILE HB 3.000 . 4.100 3.010 3.010 3.010 . 0 0 "[ ]" 1
740 1 38 ILE HB 1 38 ILE MD 2.900 . 3.900 2.682 2.682 2.682 . 0 0 "[ ]" 1
741 1 66 ASP QB 1 67 ASP HB2 3.600 . 5.200 4.877 4.877 4.877 . 0 0 "[ ]" 1
742 1 7 PHE HA 1 7 PHE QB 2.800 . 3.700 2.272 2.272 2.272 . 0 0 "[ ]" 1
743 1 25 TYR HA 1 25 TYR QB 3.000 . 4.100 2.506 2.506 2.506 . 0 0 "[ ]" 1
744 1 18 GLU QB 1 68 ILE HB 3.800 . 5.600 3.072 3.072 3.072 . 0 0 "[ ]" 1
745 1 62 TYR HA 1 62 TYR HB2 3.000 . 4.100 2.571 2.571 2.571 . 0 0 "[ ]" 1
746 1 60 LYS HB2 1 62 TYR HB2 3.900 . 5.800 5.364 5.364 5.364 . 0 0 "[ ]" 1
747 1 26 VAL HB 1 32 VAL HB 4.300 . 6.000 6.079 6.079 6.079 0.079 1 0 "[ ]" 1
748 1 32 VAL HB 1 80 THR MG 3.200 . 4.500 4.500 4.500 4.500 . 0 0 "[ ]" 1
749 1 32 VAL HA 1 32 VAL HB 2.500 . 3.300 2.784 2.784 2.784 . 0 0 "[ ]" 1
750 1 57 VAL HB 1 79 GLU QB 2.300 . 2.900 2.371 2.371 2.371 . 0 0 "[ ]" 1
751 1 18 GLU QB 1 18 GLU QG 2.300 . 2.900 1.963 1.963 1.963 . 0 0 "[ ]" 1
752 1 9 LEU QD 1 18 GLU QG 3.600 . 5.200 4.194 4.194 4.194 . 0 0 "[ ]" 1
753 1 86 LEU MD1 1 87 GLU QG 2.500 . 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 1
754 1 87 GLU HA 1 87 GLU QG 2.800 . 3.800 2.282 2.282 2.282 . 0 0 "[ ]" 1
755 1 81 GLU HA 1 81 GLU QG 3.100 . 4.300 2.186 2.186 2.186 . 0 0 "[ ]" 1
756 1 57 VAL HA 1 57 VAL HB 2.900 . 3.900 3.010 3.010 3.010 . 0 0 "[ ]" 1
757 1 48 VAL HB 1 50 ILE QG 3.200 . 4.500 4.484 4.484 4.484 . 0 0 "[ ]" 1
758 1 6 GLN QG 1 78 ILE MD 3.000 . 4.100 4.010 4.010 4.010 . 0 0 "[ ]" 1
759 1 6 GLN QG 1 78 ILE QG 3.500 . 5.000 5.125 5.125 5.125 0.125 1 0 "[ ]" 1
760 1 6 GLN HB2 1 6 GLN QG 2.600 . 3.400 2.017 2.017 2.017 . 0 0 "[ ]" 1
761 1 8 LYS QB 1 8 LYS QD 3.400 . 4.900 1.788 1.788 1.788 0.112 1 0 "[ ]" 1
762 1 8 LYS HB2 1 75 LEU MD1 4.000 . 6.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
763 1 34 GLN QG 1 53 ARG QB 3.800 . 5.600 4.221 4.221 4.221 . 0 0 "[ ]" 1
764 1 8 LYS HB2 1 74 PRO HG2 2.500 . 3.300 3.323 3.323 3.323 0.023 1 0 "[ ]" 1
765 1 8 LYS HB2 1 75 LEU HB2 4.000 . 6.000 4.758 4.758 4.758 . 0 0 "[ ]" 1
766 1 22 LYS HA 1 22 LYS HB2 2.700 . 3.600 2.655 2.655 2.655 . 0 0 "[ ]" 1
767 1 59 LYS HB2 1 60 LYS QD 3.400 . 4.900 4.331 4.331 4.331 . 0 0 "[ ]" 1
768 1 22 LYS HA 1 22 LYS HB3 3.000 . 4.100 2.922 2.922 2.922 . 0 0 "[ ]" 1
769 1 59 LYS HB3 1 59 LYS QD 2.000 . 2.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
770 1 23 GLU HA 1 40 GLU HB2 3.200 . 4.500 4.445 4.445 4.445 . 0 0 "[ ]" 1
771 1 40 GLU HA 1 40 GLU HB2 3.000 . 4.100 2.828 2.828 2.828 . 0 0 "[ ]" 1
772 1 17 ARG HA 1 17 ARG QB 2.900 . 3.900 2.341 2.341 2.341 . 0 0 "[ ]" 1
773 1 4 VAL HB 1 77 ASP HB3 2.800 . 3.800 3.139 3.139 3.139 . 0 0 "[ ]" 1
774 1 71 VAL HB 1 72 GLY QA 3.700 . 5.400 4.296 4.296 4.296 . 0 0 "[ ]" 1
775 1 81 GLU QB 1 83 LEU MD1 2.500 . 3.300 3.424 3.424 3.424 0.124 1 0 "[ ]" 1
776 1 21 VAL HA 1 21 VAL HB 2.700 . 3.600 3.017 3.017 3.017 . 0 0 "[ ]" 1
777 1 6 GLN HB2 1 74 PRO QB 2.800 . 3.800 2.812 2.812 2.812 . 0 0 "[ ]" 1
778 1 53 ARG QB 1 83 LEU MD2 2.800 . 3.800 3.821 3.821 3.821 0.021 1 0 "[ ]" 1
779 1 53 ARG QB 1 53 ARG QD 3.300 . 4.600 0.813 0.813 0.813 1.187 1 1 [+] 1
780 1 21 VAL HB 1 65 LEU HA 3.100 . 4.300 2.053 2.053 2.053 . 0 0 "[ ]" 1
781 1 86 LEU HA 1 87 GLU QB 3.700 . 5.400 4.047 4.047 4.047 . 0 0 "[ ]" 1
782 1 39 CYS HA 1 39 CYS QB 2.500 . 3.300 2.093 2.093 2.093 . 0 0 "[ ]" 1
783 1 78 ILE HA 1 78 ILE QG 3.000 . 4.200 2.644 2.644 2.644 . 0 0 "[ ]" 1
784 1 6 GLN HB3 1 74 PRO QG 3.400 . 4.800 3.538 3.538 3.538 . 0 0 "[ ]" 1
785 1 8 LYS QE 1 74 PRO QG 2.700 . 3.600 2.649 2.649 2.649 . 0 0 "[ ]" 1
786 1 73 LYS HA 1 74 PRO QG 4.000 . 6.000 3.763 3.763 3.763 . 0 0 "[ ]" 1
787 1 53 ARG QG 1 83 LEU MD1 2.800 . 3.800 2.980 2.980 2.980 . 0 0 "[ ]" 1
788 1 6 GLN HB2 1 74 PRO QG 2.800 . 3.800 3.518 3.518 3.518 . 0 0 "[ ]" 1
789 1 74 PRO HA 1 74 PRO QG 2.700 . 3.600 2.920 2.920 2.920 . 0 0 "[ ]" 1
790 1 60 LYS QD 1 61 LEU HG 3.700 . 5.400 4.984 4.984 4.984 . 0 0 "[ ]" 1
791 1 83 LEU QB 1 83 LEU HG 2.200 . 2.800 2.111 2.111 2.111 . 0 0 "[ ]" 1
792 1 53 ARG QG 1 83 LEU MD2 2.800 . 3.800 2.657 2.657 2.657 . 0 0 "[ ]" 1
793 1 53 ARG QG 1 80 THR MG 3.200 . 4.500 4.777 4.777 4.777 0.277 1 0 "[ ]" 1
794 1 16 ILE HA 1 16 ILE QG 3.300 . 4.700 3.303 3.303 3.303 . 0 0 "[ ]" 1
795 1 16 ILE QG 1 18 GLU QG 3.300 . 4.600 4.798 4.798 4.798 0.198 1 0 "[ ]" 1
796 1 53 ARG HA 1 53 ARG QG 3.600 . 5.200 3.184 3.184 3.184 . 0 0 "[ ]" 1
797 1 9 LEU HA 1 9 LEU HG 3.600 . 5.200 3.769 3.769 3.769 . 0 0 "[ ]" 1
798 1 9 LEU HG 1 12 ILE MD 3.400 . 4.900 3.709 3.709 3.709 . 0 0 "[ ]" 1
799 1 59 LYS QD 1 60 LYS HE2 2.700 . 3.600 2.867 2.867 2.867 . 0 0 "[ ]" 1
800 1 12 ILE QG 1 16 ILE MD 2.200 . 2.800 3.042 3.042 3.042 0.242 1 0 "[ ]" 1
801 1 9 LEU QD 1 12 ILE QG 3.100 . 4.300 2.565 2.565 2.565 . 0 0 "[ ]" 1
802 1 12 ILE QG 1 16 ILE QG 2.600 . 3.400 3.310 3.310 3.310 . 0 0 "[ ]" 1
803 1 9 LEU HG 1 75 LEU QD 3.300 . 4.700 5.115 5.115 5.115 0.415 1 0 "[ ]" 1
804 1 59 LYS HB2 1 59 LYS QD 2.600 . 3.400 2.255 2.255 2.255 . 0 0 "[ ]" 1
805 1 59 LYS QD 1 59 LYS QE 3.100 . 4.300 1.218 1.218 1.218 0.682 1 1 [+] 1
806 1 59 LYS HA 1 59 LYS QD 3.600 . 5.200 3.873 3.873 3.873 . 0 0 "[ ]" 1
807 1 9 LEU HA 1 75 LEU QD 3.100 . 4.300 3.868 3.868 3.868 . 0 0 "[ ]" 1
808 1 63 TYR HB2 1 75 LEU QD 3.000 . 4.100 2.651 2.651 2.651 . 0 0 "[ ]" 1
809 1 75 LEU QB 1 75 LEU QD 2.600 . 3.400 1.397 1.397 1.397 0.403 1 0 "[ ]" 1
810 1 9 LEU QB 1 75 LEU QD 2.200 . 2.800 3.429 3.429 3.429 0.629 1 1 [+] 1
811 1 75 LEU HA 1 75 LEU QD 3.400 . 4.800 3.000 3.000 3.000 . 0 0 "[ ]" 1
812 1 7 PHE QD 1 75 LEU MD1 2.900 . 4.000 2.215 2.215 2.215 . 0 0 "[ ]" 1
813 1 24 TRP HH2 1 75 LEU QD 3.000 . 4.200 3.019 3.019 3.019 . 0 0 "[ ]" 1
814 1 65 LEU HA 1 65 LEU MD2 3.600 . 5.200 3.059 3.059 3.059 . 0 0 "[ ]" 1
815 1 26 VAL HB 1 58 ILE QG 3.900 . 5.800 3.807 3.807 3.807 . 0 0 "[ ]" 1
816 1 69 ALA MB 1 75 LEU QD 3.000 . 4.100 2.866 2.866 2.866 . 0 0 "[ ]" 1
817 1 7 PHE HZ 1 75 LEU QD 3.500 . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
818 1 60 LYS HB2 1 60 LYS QG 3.200 . 4.500 1.663 1.663 1.663 0.237 1 0 "[ ]" 1
819 1 60 LYS HA 1 60 LYS QG 3.700 . 5.400 3.210 3.210 3.210 . 0 0 "[ ]" 1
820 1 7 PHE QE 1 9 LEU QD 3.500 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
821 1 9 LEU QD 1 18 GLU HA 3.600 . 5.200 3.935 3.935 3.935 . 0 0 "[ ]" 1
822 1 45 LYS QB 1 45 LYS QG 1.900 . 2.300 0.540 0.540 0.540 0.960 1 1 [+] 1
823 1 9 LEU QD 1 12 ILE MD 2.100 . 2.700 2.184 2.184 2.184 . 0 0 "[ ]" 1
824 1 59 LYS QG 1 60 LYS HA 3.400 . 4.800 4.283 4.283 4.283 . 0 0 "[ ]" 1
825 1 6 GLN HB3 1 86 LEU QD 3.100 . 4.300 4.192 4.192 4.192 . 0 0 "[ ]" 1
826 1 86 LEU QB 1 86 LEU MD2 2.300 . 2.900 1.838 1.838 1.838 . 0 0 "[ ]" 1
827 1 86 LEU HA 1 86 LEU QD 2.400 . 3.100 2.235 2.235 2.235 . 0 0 "[ ]" 1
828 1 8 LYS HE3 1 86 LEU QD 2.700 . 3.600 3.830 3.830 3.830 0.230 1 0 "[ ]" 1
829 1 86 LEU QB 1 86 LEU QD 2.900 . 3.900 1.378 1.378 1.378 0.522 1 1 [+] 1
830 1 85 ASP QB 1 86 LEU MD1 3.000 . 4.100 3.857 3.857 3.857 . 0 0 "[ ]" 1
831 1 6 GLN HE21 1 86 LEU QD 2.900 . 4.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
832 1 48 VAL HA 1 49 THR MG 3.400 . 4.800 3.832 3.832 3.832 . 0 0 "[ ]" 1
833 1 42 GLN HE21 1 49 THR MG 2.700 . 3.600 3.295 3.295 3.295 . 0 0 "[ ]" 1
834 1 42 GLN QG 1 49 THR MG 2.800 . 3.800 3.883 3.883 3.883 0.083 1 0 "[ ]" 1
835 1 47 SER QB 1 49 THR MG 3.000 . 4.100 3.870 3.870 3.870 . 0 0 "[ ]" 1
836 1 20 THR MG 1 22 LYS HA 3.500 . 5.100 4.984 4.984 4.984 . 0 0 "[ ]" 1
837 1 31 THR MG 1 55 ASP HA 3.300 . 4.700 3.926 3.926 3.926 . 0 0 "[ ]" 1
838 1 31 THR MG 1 38 ILE MD 4.100 . 6.000 6.273 6.273 6.273 0.273 1 0 "[ ]" 1
839 1 31 THR MG 1 57 VAL HB 3.400 . 4.800 4.702 4.702 4.702 . 0 0 "[ ]" 1
840 1 20 THR MG 1 64 ASN HB2 3.700 . 5.400 5.480 5.480 5.480 0.080 1 0 "[ ]" 1
841 1 20 THR MG 1 24 TRP HE1 3.800 . 5.600 5.477 5.477 5.477 . 0 0 "[ ]" 1
842 1 31 THR MG 1 58 ILE MD 3.600 . 5.200 5.094 5.094 5.094 . 0 0 "[ ]" 1
843 1 31 THR MG 1 58 ILE HB 4.000 . 6.000 5.972 5.972 5.972 . 0 0 "[ ]" 1
844 1 31 THR HA 1 31 THR MG 2.200 . 2.800 2.351 2.351 2.351 . 0 0 "[ ]" 1
845 1 31 THR MG 1 33 SER HA 3.600 . 5.200 4.751 4.751 4.751 . 0 0 "[ ]" 1
846 1 3 GLN HA 1 4 VAL MG1 3.400 . 4.800 3.781 3.781 3.781 . 0 0 "[ ]" 1
847 1 4 VAL QG 1 60 LYS HE2 3.700 . 5.400 4.146 4.146 4.146 . 0 0 "[ ]" 1
848 1 4 VAL QG 1 5 VAL HA 3.400 . 4.900 4.140 4.140 4.140 . 0 0 "[ ]" 1
849 1 4 VAL MG2 1 6 GLN HB3 3.500 . 5.100 5.395 5.395 5.395 0.295 1 0 "[ ]" 1
850 1 3 GLN QB 1 4 VAL QG 2.800 . 3.800 4.003 4.003 4.003 0.203 1 0 "[ ]" 1
851 1 20 THR MG 1 68 ILE MD 2.300 . 2.900 2.336 2.336 2.336 . 0 0 "[ ]" 1
852 1 20 THR MG 1 66 ASP HA 2.200 . 2.800 2.460 2.460 2.460 . 0 0 "[ ]" 1
853 1 20 THR MG 1 68 ILE HA 2.800 . 3.800 3.216 3.216 3.216 . 0 0 "[ ]" 1
854 1 20 THR MG 1 21 VAL HA 3.700 . 5.400 4.446 4.446 4.446 . 0 0 "[ ]" 1
855 1 31 THR HB 1 31 THR MG 2.200 . 2.800 2.028 2.028 2.028 . 0 0 "[ ]" 1
856 1 7 PHE QR 1 69 ALA MB 3.400 . 4.800 4.427 4.427 4.427 . 0 0 "[ ]" 1
857 1 9 LEU QD 1 69 ALA MB 2.700 . 3.600 2.363 2.363 2.363 . 0 0 "[ ]" 1
858 1 38 ILE HA 1 58 ILE MG 3.600 . 5.200 5.492 5.492 5.492 0.292 1 0 "[ ]" 1
859 1 12 ILE MG 1 13 GLY QA 3.400 . 4.800 4.026 4.026 4.026 . 0 0 "[ ]" 1
860 1 37 SER QB 1 50 ILE MG 3.400 . 4.800 4.731 4.731 4.731 . 0 0 "[ ]" 1
861 1 24 TRP HZ3 1 38 ILE MG 2.900 . 4.000 2.121 2.121 2.121 . 0 0 "[ ]" 1
862 1 38 ILE MG 1 61 LEU MD1 3.100 . 4.300 3.845 3.845 3.845 . 0 0 "[ ]" 1
863 1 38 ILE MD 1 38 ILE MG 2.100 . 2.700 2.221 2.221 2.221 . 0 0 "[ ]" 1
864 1 38 ILE HB 1 38 ILE MG 2.100 . 2.700 2.033 2.033 2.033 . 0 0 "[ ]" 1
865 1 38 ILE MG 1 39 CYS QB 3.100 . 4.300 3.176 3.176 3.176 . 0 0 "[ ]" 1
866 1 38 ILE HA 1 38 ILE MG 2.500 . 3.300 2.470 2.470 2.470 . 0 0 "[ ]" 1
867 1 24 TRP HZ2 1 38 ILE MG 3.900 . 5.800 5.045 5.045 5.045 . 0 0 "[ ]" 1
868 1 12 ILE MG 1 16 ILE QG 2.900 . 3.900 2.439 2.439 2.439 . 0 0 "[ ]" 1
869 1 12 ILE MG 1 16 ILE HA 4.000 . 6.000 5.485 5.485 5.485 . 0 0 "[ ]" 1
870 1 9 LEU QD 1 68 ILE MG 2.900 . 3.900 4.130 4.130 4.130 0.230 1 0 "[ ]" 1
871 1 12 ILE MD 1 18 GLU QG 3.400 . 4.800 4.537 4.537 4.537 . 0 0 "[ ]" 1
872 1 12 ILE MD 1 19 VAL HA 3.700 . 5.400 4.018 4.018 4.018 . 0 0 "[ ]" 1
873 1 12 ILE HA 1 16 ILE MD 2.600 . 3.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
874 1 16 ILE MD 1 17 ARG HA 3.400 . 4.900 4.345 4.345 4.345 . 0 0 "[ ]" 1
875 1 18 GLU HB2 1 68 ILE MD 3.300 . 4.700 4.395 4.395 4.395 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 13
_Distance_constraint_stats_list.Viol_total 0.886
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0211
_Distance_constraint_stats_list.Viol_average_violations_only 0.0682
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 5 VAL 0.000 0.000 . 0 "[ ]"
1 7 PHE 0.096 0.073 1 0 "[ ]"
1 19 VAL 0.226 0.155 1 0 "[ ]"
1 21 VAL 0.151 0.134 1 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 GLU 0.000 0.000 . 0 "[ ]"
1 25 TYR 0.057 0.043 1 0 "[ ]"
1 30 ASP 0.159 0.159 1 0 "[ ]"
1 32 VAL 0.062 0.062 1 0 "[ ]"
1 38 ILE 0.104 0.046 1 0 "[ ]"
1 39 CYS 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.000 0.000 . 0 "[ ]"
1 41 VAL 0.000 0.000 . 0 "[ ]"
1 48 VAL 0.000 0.000 . 0 "[ ]"
1 50 ILE 0.046 0.046 1 0 "[ ]"
1 56 GLY 0.062 0.062 1 0 "[ ]"
1 57 VAL 0.071 0.071 1 0 "[ ]"
1 58 ILE 0.159 0.159 1 0 "[ ]"
1 59 LYS 0.017 0.017 1 0 "[ ]"
1 67 ASP 0.151 0.134 1 0 "[ ]"
1 69 ALA 0.226 0.155 1 0 "[ ]"
1 75 LEU 0.000 0.000 . 0 "[ ]"
1 76 VAL 0.096 0.073 1 0 "[ ]"
1 77 ASP 0.017 0.017 1 0 "[ ]"
1 78 ILE 0.000 0.000 . 0 "[ ]"
1 79 GLU 0.071 0.071 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 19 VAL O 1 69 ALA N 2.800 2.500 3.300 2.715 2.715 2.715 . 0 0 "[ ]" 2
2 1 19 VAL O 1 69 ALA H 1.800 . 2.300 1.760 1.760 1.760 . 0 0 "[ ]" 2
3 1 19 VAL N 1 69 ALA O 2.800 2.500 3.300 3.371 3.371 3.371 0.071 1 0 "[ ]" 2
4 1 19 VAL H 1 69 ALA O 1.800 . 2.300 2.455 2.455 2.455 0.155 1 0 "[ ]" 2
5 1 21 VAL N 1 67 ASP O 2.800 2.500 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 2
6 1 21 VAL H 1 67 ASP O 1.800 . 2.300 2.434 2.434 2.434 0.134 1 0 "[ ]" 2
7 1 57 VAL O 1 79 GLU N 2.800 2.500 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 2
8 1 57 VAL O 1 79 GLU H 1.800 . 2.300 2.023 2.023 2.023 . 0 0 "[ ]" 2
9 1 57 VAL N 1 79 GLU O 2.800 2.500 3.300 3.149 3.149 3.149 . 0 0 "[ ]" 2
10 1 57 VAL H 1 79 GLU O 1.800 . 2.300 2.371 2.371 2.371 0.071 1 0 "[ ]" 2
11 1 59 LYS N 1 77 ASP O 2.800 2.500 3.300 3.279 3.279 3.279 . 0 0 "[ ]" 2
12 1 59 LYS H 1 77 ASP O 1.800 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 2
13 1 5 VAL O 1 78 ILE N 2.800 2.500 3.300 2.746 2.746 2.746 . 0 0 "[ ]" 2
14 1 5 VAL O 1 78 ILE H 1.800 . 2.300 1.812 1.812 1.812 . 0 0 "[ ]" 2
15 1 32 VAL O 1 56 GLY N 2.800 2.500 3.300 3.108 3.108 3.108 . 0 0 "[ ]" 2
16 1 32 VAL O 1 56 GLY H 1.800 . 2.300 2.362 2.362 2.362 0.062 1 0 "[ ]" 2
17 1 32 VAL N 1 56 GLY O 2.800 2.500 3.300 2.523 2.523 2.523 . 0 0 "[ ]" 2
18 1 32 VAL H 1 56 GLY O 1.800 . 2.300 1.564 1.564 1.564 . 0 0 "[ ]" 2
19 1 41 VAL O 1 48 VAL N 2.800 2.500 3.300 2.815 2.815 2.815 . 0 0 "[ ]" 2
20 1 41 VAL O 1 48 VAL H 1.800 . 2.300 1.934 1.934 1.934 . 0 0 "[ ]" 2
21 1 41 VAL N 1 48 VAL O 2.800 2.500 3.300 2.920 2.920 2.920 . 0 0 "[ ]" 2
22 1 41 VAL H 1 48 VAL O 1.800 . 2.300 2.123 2.123 2.123 . 0 0 "[ ]" 2
23 1 39 CYS O 1 50 ILE N 2.800 2.500 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 2
24 1 39 CYS O 1 50 ILE H 1.800 . 2.300 2.154 2.154 2.154 . 0 0 "[ ]" 2
25 1 23 GLU N 1 40 GLU O 2.800 2.500 3.300 3.046 3.046 3.046 . 0 0 "[ ]" 2
26 1 23 GLU H 1 40 GLU O 1.800 . 2.300 2.105 2.105 2.105 . 0 0 "[ ]" 2
27 1 23 GLU O 1 40 GLU N 2.800 2.500 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 2
28 1 23 GLU O 1 40 GLU H 1.800 . 2.300 2.141 2.141 2.141 . 0 0 "[ ]" 2
29 1 30 ASP O 1 58 ILE N 2.800 2.500 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 2
30 1 30 ASP O 1 58 ILE H 1.800 . 2.300 1.659 1.659 1.659 . 0 0 "[ ]" 2
31 1 30 ASP N 1 58 ILE O 2.800 2.500 3.300 2.780 2.780 2.780 . 0 0 "[ ]" 2
32 1 30 ASP H 1 58 ILE O 1.800 . 2.300 2.459 2.459 2.459 0.159 1 0 "[ ]" 2
33 1 7 PHE O 1 76 VAL N 2.800 2.500 3.300 3.323 3.323 3.323 0.023 1 0 "[ ]" 2
34 1 7 PHE O 1 76 VAL H 1.800 . 2.300 2.373 2.373 2.373 0.073 1 0 "[ ]" 2
35 1 22 LYS N 1 40 GLU O 2.800 2.500 3.300 2.545 2.545 2.545 . 0 0 "[ ]" 2
36 1 22 LYS H 1 40 GLU O 1.800 . 2.300 1.651 1.651 1.651 . 0 0 "[ ]" 2
37 1 25 TYR N 1 38 ILE O 2.800 2.500 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 2
38 1 25 TYR H 1 38 ILE O 1.800 . 2.300 2.343 2.343 2.343 0.043 1 0 "[ ]" 2
39 1 38 ILE N 1 50 ILE O 2.800 2.500 3.300 3.202 3.202 3.202 . 0 0 "[ ]" 2
40 1 38 ILE H 1 50 ILE O 1.800 . 2.300 2.346 2.346 2.346 0.046 1 0 "[ ]" 2
41 1 7 PHE O 1 75 LEU N 2.800 2.500 3.300 2.748 2.748 2.748 . 0 0 "[ ]" 2
42 1 7 PHE O 1 75 LEU H 1.800 . 2.300 1.807 1.807 1.807 . 0 0 "[ ]" 2
stop_
save_
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