NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450891 |
2rn8   |
11018 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rn8
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 836
_Distance_constraint_stats_list.Viol_count 1916
_Distance_constraint_stats_list.Viol_total 4495.449
_Distance_constraint_stats_list.Viol_max 0.501
_Distance_constraint_stats_list.Viol_rms 0.0479
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0134
_Distance_constraint_stats_list.Viol_average_violations_only 0.1173
_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 PRO 2.839 0.501 16 1 "[ . 1 .+ 2]"
1 4 GLU 11.001 0.394 16 0 "[ . 1 . 2]"
1 5 GLU 20.258 0.501 16 1 "[ . 1 .+ 2]"
1 6 THR 11.087 0.361 17 0 "[ . 1 . 2]"
1 7 LEU 11.469 0.367 19 0 "[ . 1 . 2]"
1 8 VAL 5.246 0.212 17 0 "[ . 1 . 2]"
1 9 ILE 9.110 0.306 4 0 "[ . 1 . 2]"
1 10 ALA 4.191 0.302 12 0 "[ . 1 . 2]"
1 11 LEU 0.079 0.030 1 0 "[ . 1 . 2]"
1 12 TYR 0.558 0.068 9 0 "[ . 1 . 2]"
1 13 ASP 0.703 0.068 9 0 "[ . 1 . 2]"
1 14 TYR 5.357 0.224 19 0 "[ . 1 . 2]"
1 15 GLN 5.189 0.308 7 0 "[ . 1 . 2]"
1 16 THR 11.280 0.379 11 0 "[ . 1 . 2]"
1 17 ASN 2.143 0.238 17 0 "[ . 1 . 2]"
1 18 ASP 11.246 0.379 11 0 "[ . 1 . 2]"
1 19 PRO 8.337 0.421 4 0 "[ . 1 . 2]"
1 20 GLN 2.132 0.254 15 0 "[ . 1 . 2]"
1 21 GLU 3.648 0.308 7 0 "[ . 1 . 2]"
1 22 LEU 7.731 0.344 11 0 "[ . 1 . 2]"
1 23 ALA 3.052 0.344 11 0 "[ . 1 . 2]"
1 24 LEU 7.333 0.285 20 0 "[ . 1 . 2]"
1 25 ARG 10.027 0.443 14 0 "[ . 1 . 2]"
1 26 CYS 0.910 0.149 6 0 "[ . 1 . 2]"
1 27 ASP 0.094 0.094 4 0 "[ . 1 . 2]"
1 28 GLU 10.858 0.443 14 0 "[ . 1 . 2]"
1 29 GLU 7.156 0.252 4 0 "[ . 1 . 2]"
1 30 TYR 13.707 0.352 6 0 "[ . 1 . 2]"
1 31 TYR 16.072 0.367 19 0 "[ . 1 . 2]"
1 32 LEU 24.729 0.483 8 0 "[ . 1 . 2]"
1 33 LEU 13.236 0.361 17 0 "[ . 1 . 2]"
1 34 ASP 2.221 0.198 3 0 "[ . 1 . 2]"
1 35 SER 17.927 0.412 18 0 "[ . 1 . 2]"
1 36 SER 2.640 0.275 4 0 "[ . 1 . 2]"
1 37 GLU 2.322 0.341 19 0 "[ . 1 . 2]"
1 38 ILE 7.352 0.466 11 0 "[ . 1 . 2]"
1 39 HIS 4.693 0.336 12 0 "[ . 1 . 2]"
1 40 TRP 7.993 0.336 12 0 "[ . 1 . 2]"
1 41 TRP 12.057 0.412 18 0 "[ . 1 . 2]"
1 42 ARG 6.724 0.305 17 0 "[ . 1 . 2]"
1 43 VAL 4.688 0.267 19 0 "[ . 1 . 2]"
1 44 GLN 2.723 0.172 17 0 "[ . 1 . 2]"
1 45 ASP 4.654 0.230 14 0 "[ . 1 . 2]"
1 46 LYS 8.065 0.338 14 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.557 0.065 6 0 "[ . 1 . 2]"
1 49 HIS 0.015 0.015 11 0 "[ . 1 . 2]"
1 50 GLU 2.774 0.144 8 0 "[ . 1 . 2]"
1 51 GLY 6.121 0.285 20 0 "[ . 1 . 2]"
1 52 TYR 3.736 0.263 12 0 "[ . 1 . 2]"
1 53 ALA 1.868 0.224 19 0 "[ . 1 . 2]"
1 54 PRO 3.774 0.217 1 0 "[ . 1 . 2]"
1 55 SER 1.769 0.198 12 0 "[ . 1 . 2]"
1 56 SER 1.347 0.196 5 0 "[ . 1 . 2]"
1 57 TYR 0.976 0.112 13 0 "[ . 1 . 2]"
1 58 LEU 9.328 0.281 1 0 "[ . 1 . 2]"
1 59 VAL 4.649 0.209 4 0 "[ . 1 . 2]"
1 60 GLU 5.499 0.211 13 0 "[ . 1 . 2]"
1 61 LYS 5.934 0.191 8 0 "[ . 1 . 2]"
1 62 SER 4.695 0.309 8 0 "[ . 1 . 2]"
1 63 PRO 0.413 0.165 8 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
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 52 TYR HA 1 53 ALA H 2.700 . 3.000 2.201 2.168 2.235 . 0 0 "[ . 1 . 2]" 1
2 1 24 LEU HB3 1 25 ARG HG3 4.700 . 5.000 4.914 4.561 5.171 0.171 4 0 "[ . 1 . 2]" 1
3 1 19 PRO HA 1 20 GLN H 4.700 . 5.000 3.373 2.481 3.571 . 0 0 "[ . 1 . 2]" 1
4 1 8 VAL HA 1 60 GLU HA 2.500 . 2.800 2.840 2.152 2.941 0.141 10 0 "[ . 1 . 2]" 1
5 1 14 TYR QE 1 54 PRO HD2 4.700 . 5.000 4.090 3.081 4.610 . 0 0 "[ . 1 . 2]" 1
6 1 25 ARG H 1 25 ARG HG3 4.700 . 5.000 2.123 1.832 2.509 . 0 0 "[ . 1 . 2]" 1
7 1 11 LEU HA 1 11 LEU MD2 3.000 . 3.300 2.143 2.130 2.158 . 0 0 "[ . 1 . 2]" 1
8 1 49 HIS HA 1 50 GLU H 2.700 . 3.000 2.138 2.115 2.195 . 0 0 "[ . 1 . 2]" 1
9 1 25 ARG HB3 1 25 ARG HG3 2.500 . 2.800 2.999 2.986 3.006 0.206 18 0 "[ . 1 . 2]" 1
10 1 30 TYR HB3 1 43 VAL MG2 5.200 . 5.500 3.557 2.701 3.830 . 0 0 "[ . 1 . 2]" 1
11 1 37 GLU HA 1 37 GLU HG3 3.300 . 3.600 2.606 2.338 3.673 0.073 14 0 "[ . 1 . 2]" 1
12 1 14 TYR HA 1 14 TYR QD 3.300 . 3.600 2.723 2.382 2.982 . 0 0 "[ . 1 . 2]" 1
13 1 11 LEU MD2 1 59 VAL HB 5.200 . 5.500 4.574 3.799 5.205 . 0 0 "[ . 1 . 2]" 1
14 1 28 GLU QG 1 29 GLU H 4.700 . 5.000 2.099 1.685 2.416 0.115 19 0 "[ . 1 . 2]" 1
15 1 50 GLU HA 1 51 GLY HA2 5.500 . 6.000 4.521 4.479 4.573 . 0 0 "[ . 1 . 2]" 1
16 1 11 LEU HB3 1 12 TYR QD 4.700 . 5.000 3.416 3.156 3.626 . 0 0 "[ . 1 . 2]" 1
17 1 14 TYR H 1 57 TYR QD 5.500 . 6.000 6.028 5.888 6.112 0.112 13 0 "[ . 1 . 2]" 1
18 1 12 TYR HB3 1 12 TYR QE 4.700 . 5.000 4.468 4.448 4.493 . 0 0 "[ . 1 . 2]" 1
19 1 44 GLN HE21 1 50 GLU HB3 5.500 . 6.000 4.756 2.985 5.585 . 0 0 "[ . 1 . 2]" 1
20 1 10 ALA MB 1 27 ASP HA 6.000 2.300 6.500 5.268 5.043 5.435 . 0 0 "[ . 1 . 2]" 1
21 1 21 GLU HA 1 22 LEU H 3.500 . 3.800 2.425 2.138 3.311 . 0 0 "[ . 1 . 2]" 1
22 1 56 SER H 1 56 SER HB3 3.500 . 3.800 3.022 2.330 3.628 . 0 0 "[ . 1 . 2]" 1
23 1 32 LEU HA 1 32 LEU MD1 6.000 2.300 6.500 2.437 2.082 3.493 0.218 10 0 "[ . 1 . 2]" 1
24 1 4 GLU H 1 5 GLU H 4.700 . 5.000 3.154 2.581 4.463 . 0 0 "[ . 1 . 2]" 1
25 1 26 CYS QB 1 27 ASP H 4.700 . 5.000 3.535 2.906 3.766 . 0 0 "[ . 1 . 2]" 1
26 1 15 GLN HB3 1 16 THR H 4.700 . 5.000 3.827 2.751 4.378 . 0 0 "[ . 1 . 2]" 1
27 1 31 TYR QD 1 33 LEU HG 5.500 . 6.000 4.916 4.413 5.784 . 0 0 "[ . 1 . 2]" 1
28 1 33 LEU HA 1 42 ARG QD 5.500 . 6.000 5.734 4.988 6.159 0.159 8 0 "[ . 1 . 2]" 1
29 1 30 TYR HB2 1 43 VAL HA 5.500 . 6.000 4.832 4.391 5.543 . 0 0 "[ . 1 . 2]" 1
30 1 9 ILE MG 1 27 ASP HB2 5.200 . 5.500 5.011 4.847 5.449 . 0 0 "[ . 1 . 2]" 1
31 1 39 HIS HB2 1 40 TRP HE1 4.700 . 5.000 5.064 4.487 5.183 0.183 15 0 "[ . 1 . 2]" 1
32 1 37 GLU QB 1 37 GLU HG3 2.500 . 2.800 2.386 2.194 2.481 . 0 0 "[ . 1 . 2]" 1
33 1 14 TYR QD 1 53 ALA MB 5.200 . 5.500 4.746 4.295 4.970 . 0 0 "[ . 1 . 2]" 1
34 1 35 SER HB2 1 41 TRP HE1 4.700 . 5.000 3.951 3.677 4.255 . 0 0 "[ . 1 . 2]" 1
35 1 12 TYR HB3 1 13 ASP H 3.500 . 3.800 2.686 2.540 2.822 . 0 0 "[ . 1 . 2]" 1
36 1 6 THR MG 1 33 LEU H 5.400 . 5.700 5.798 5.661 6.061 0.361 17 0 "[ . 1 . 2]" 1
37 1 18 ASP H 1 18 ASP HA 2.700 . 3.000 2.805 2.283 2.938 . 0 0 "[ . 1 . 2]" 1
38 1 54 PRO HB2 1 57 TYR QD 4.700 . 5.000 2.311 2.290 2.331 . 0 0 "[ . 1 . 2]" 1
39 1 38 ILE H 1 38 ILE HG13 3.500 . 3.800 2.958 1.905 3.778 . 0 0 "[ . 1 . 2]" 1
40 1 8 VAL MG2 1 30 TYR HB2 3.800 . 4.100 2.424 2.036 2.692 . 0 0 "[ . 1 . 2]" 1
41 1 6 THR HB 1 32 LEU HB3 4.700 . 5.000 4.400 4.232 5.113 0.113 17 0 "[ . 1 . 2]" 1
42 1 14 TYR QB 1 24 LEU H 4.700 . 5.000 3.462 2.873 3.821 . 0 0 "[ . 1 . 2]" 1
43 1 43 VAL MG2 1 53 ALA MB 3.800 . 4.100 1.899 1.846 1.938 . 0 0 "[ . 1 . 2]" 1
44 1 34 ASP QB 1 42 ARG HB3 3.300 . 3.600 3.213 2.206 3.667 0.067 7 0 "[ . 1 . 2]" 1
45 1 7 LEU HB2 1 8 VAL H 4.700 . 5.000 3.568 3.466 3.742 . 0 0 "[ . 1 . 2]" 1
46 1 54 PRO HB2 1 57 TYR H 4.700 . 5.000 2.436 2.337 2.533 . 0 0 "[ . 1 . 2]" 1
47 1 10 ALA MB 1 26 CYS HA 3.800 . 4.100 2.879 2.252 3.171 . 0 0 "[ . 1 . 2]" 1
48 1 58 LEU H 1 58 LEU HG 4.700 . 5.000 2.256 2.209 2.293 . 0 0 "[ . 1 . 2]" 1
49 1 40 TRP HA 1 54 PRO HA 4.700 . 5.000 4.809 4.047 5.113 0.113 9 0 "[ . 1 . 2]" 1
50 1 8 VAL HB 1 9 ILE MD 6.000 2.300 6.500 6.007 5.792 6.195 . 0 0 "[ . 1 . 2]" 1
51 1 36 SER HA 1 36 SER HB3 2.500 . 2.800 2.690 2.338 3.005 0.205 12 0 "[ . 1 . 2]" 1
52 1 41 TRP HD1 1 55 SER HB2 5.500 . 6.000 4.935 3.593 5.448 . 0 0 "[ . 1 . 2]" 1
53 1 8 VAL H 1 8 VAL MG1 5.400 . 5.700 2.857 2.699 3.153 . 0 0 "[ . 1 . 2]" 1
54 1 44 GLN HB3 1 45 ASP H 4.700 . 5.000 4.174 4.112 4.263 . 0 0 "[ . 1 . 2]" 1
55 1 55 SER HA 1 58 LEU MD1 5.200 . 5.500 2.203 2.133 2.245 . 0 0 "[ . 1 . 2]" 1
56 1 11 LEU HG 1 59 VAL H 5.500 . 6.000 3.838 3.647 3.971 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU H 1 7 LEU HG 4.700 . 5.000 2.873 2.243 3.455 . 0 0 "[ . 1 . 2]" 1
58 1 23 ALA MB 1 24 LEU HB3 6.000 2.300 6.500 5.810 5.713 5.978 . 0 0 "[ . 1 . 2]" 1
59 1 61 LYS HD2 1 61 LYS QG 2.500 . 2.800 2.356 2.335 2.366 . 0 0 "[ . 1 . 2]" 1
60 1 61 LYS HA 1 62 SER HB3 5.500 . 6.000 5.107 4.040 5.926 . 0 0 "[ . 1 . 2]" 1
61 1 12 TYR HB2 1 57 TYR QE 4.700 . 5.000 4.263 4.117 4.582 . 0 0 "[ . 1 . 2]" 1
62 1 32 LEU MD2 1 43 VAL MG1 5.200 . 5.500 4.473 4.226 5.145 . 0 0 "[ . 1 . 2]" 1
63 1 22 LEU HG 1 23 ALA H 5.500 . 6.000 2.798 1.930 3.419 . 0 0 "[ . 1 . 2]" 1
64 1 5 GLU HA 1 32 LEU MD1 5.200 . 5.500 5.502 4.462 5.983 0.483 8 0 "[ . 1 . 2]" 1
65 1 46 LYS HA 1 48 GLY H 4.700 . 5.000 3.530 3.342 3.618 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE H 1 9 ILE HG12 4.700 . 5.000 3.731 3.348 4.138 . 0 0 "[ . 1 . 2]" 1
67 1 12 TYR QE 1 57 TYR QE 4.700 . 5.000 5.010 4.928 5.044 0.044 7 0 "[ . 1 . 2]" 1
68 1 6 THR H 1 6 THR HB 3.500 . 3.800 3.171 2.827 3.587 . 0 0 "[ . 1 . 2]" 1
69 1 40 TRP HH2 1 54 PRO HB2 5.500 . 6.000 6.014 5.269 6.142 0.142 17 0 "[ . 1 . 2]" 1
70 1 44 GLN HG3 1 48 GLY H 5.500 . 6.000 4.189 3.516 4.903 . 0 0 "[ . 1 . 2]" 1
71 1 42 ARG QD 1 52 TYR QE 4.700 . 5.000 3.599 2.460 4.427 . 0 0 "[ . 1 . 2]" 1
72 1 45 ASP HB3 1 47 ASN H 5.500 . 6.000 2.504 2.313 2.971 . 0 0 "[ . 1 . 2]" 1
73 1 26 CYS HA 1 27 ASP HA 4.700 . 5.000 4.407 4.383 4.524 . 0 0 "[ . 1 . 2]" 1
74 1 37 GLU H 1 37 GLU HG3 4.700 . 5.000 3.866 2.180 4.774 . 0 0 "[ . 1 . 2]" 1
75 1 4 GLU HB2 1 4 GLU HG2 2.500 . 2.800 2.858 2.475 3.032 0.232 2 0 "[ . 1 . 2]" 1
76 1 46 LYS H 1 46 LYS QG 3.500 . 3.800 2.473 1.718 3.332 0.082 6 0 "[ . 1 . 2]" 1
77 1 31 TYR HB2 1 44 GLN HA 5.500 . 6.000 4.941 4.730 5.339 . 0 0 "[ . 1 . 2]" 1
78 1 14 TYR QB 1 24 LEU MD1 3.800 . 4.100 2.275 2.170 2.560 . 0 0 "[ . 1 . 2]" 1
79 1 10 ALA MB 1 11 LEU H 4.000 . 4.300 3.365 3.272 3.438 . 0 0 "[ . 1 . 2]" 1
80 1 23 ALA HA 1 24 LEU HB2 5.500 . 6.000 4.760 4.649 4.901 . 0 0 "[ . 1 . 2]" 1
81 1 32 LEU HA 1 34 ASP H 4.700 . 5.000 4.423 4.128 4.622 . 0 0 "[ . 1 . 2]" 1
82 1 29 GLU H 1 29 GLU QB 3.500 . 3.800 3.138 3.079 3.231 . 0 0 "[ . 1 . 2]" 1
83 1 24 LEU MD2 1 25 ARG H 4.000 . 4.300 3.725 3.619 3.977 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL HA 1 9 ILE HB 5.500 . 6.000 4.648 4.507 4.843 . 0 0 "[ . 1 . 2]" 1
85 1 11 LEU H 1 11 LEU HB3 3.500 . 3.800 3.578 3.575 3.582 . 0 0 "[ . 1 . 2]" 1
86 1 37 GLU HA 1 37 GLU QB 2.500 . 2.800 2.403 2.318 2.484 . 0 0 "[ . 1 . 2]" 1
87 1 43 VAL HA 1 44 GLN H 2.700 . 3.000 2.402 2.361 2.417 . 0 0 "[ . 1 . 2]" 1
88 1 18 ASP HB2 1 20 GLN HB2 4.700 . 5.000 3.936 3.233 5.075 0.075 10 0 "[ . 1 . 2]" 1
89 1 22 LEU HB2 1 23 ALA H 4.700 . 5.000 4.235 3.197 4.560 . 0 0 "[ . 1 . 2]" 1
90 1 46 LYS H 1 46 LYS HB2 3.500 . 3.800 2.576 2.312 2.834 . 0 0 "[ . 1 . 2]" 1
91 1 42 ARG HG2 1 52 TYR QD 5.500 . 6.000 3.847 2.671 5.909 . 0 0 "[ . 1 . 2]" 1
92 1 42 ARG HB3 1 43 VAL H 5.500 . 6.000 3.610 3.280 4.132 . 0 0 "[ . 1 . 2]" 1
93 1 61 LYS HB2 1 61 LYS HE2 4.700 . 5.000 4.642 4.613 4.769 . 0 0 "[ . 1 . 2]" 1
94 1 12 TYR HB2 1 57 TYR QD 4.700 . 5.000 2.558 2.324 3.094 . 0 0 "[ . 1 . 2]" 1
95 1 8 VAL MG1 1 32 LEU HB3 5.200 . 5.500 3.980 3.749 4.644 . 0 0 "[ . 1 . 2]" 1
96 1 17 ASN HA 1 18 ASP H 2.700 . 3.000 2.820 2.225 3.238 0.238 17 0 "[ . 1 . 2]" 1
97 1 8 VAL HB 1 58 LEU HB3 4.700 . 5.000 4.039 3.885 4.224 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU MD1 1 59 VAL HA 6.000 2.300 6.500 4.798 4.522 4.974 . 0 0 "[ . 1 . 2]" 1
99 1 33 LEU MD2 1 44 GLN HG2 6.000 2.300 6.500 4.634 3.904 5.128 . 0 0 "[ . 1 . 2]" 1
100 1 51 GLY HA2 1 52 TYR H 3.500 . 3.800 2.399 2.342 2.487 . 0 0 "[ . 1 . 2]" 1
101 1 39 HIS H 1 40 TRP H 2.700 . 3.000 2.665 2.163 3.031 0.031 17 0 "[ . 1 . 2]" 1
102 1 42 ARG HG3 1 42 ARG QH1 5.500 . 6.000 3.832 2.383 4.332 . 0 0 "[ . 1 . 2]" 1
103 1 14 TYR QE 1 54 PRO HD3 4.700 . 5.000 3.793 2.593 4.214 . 0 0 "[ . 1 . 2]" 1
104 1 15 GLN H 1 15 GLN HB2 3.500 . 3.800 3.203 2.367 3.672 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLN HB3 1 52 TYR QD 4.700 . 5.000 2.803 2.305 4.944 . 0 0 "[ . 1 . 2]" 1
106 1 53 ALA H 1 53 ALA MB 4.000 . 4.300 2.509 2.457 2.568 . 0 0 "[ . 1 . 2]" 1
107 1 28 GLU HA 1 29 GLU HG2 5.500 . 6.000 3.405 3.332 3.451 . 0 0 "[ . 1 . 2]" 1
108 1 6 THR MG 1 7 LEU HA 5.200 . 5.500 3.462 3.257 3.559 . 0 0 "[ . 1 . 2]" 1
109 1 58 LEU HB2 1 59 VAL MG1 5.200 . 5.500 5.097 4.632 5.631 0.131 13 0 "[ . 1 . 2]" 1
110 1 4 GLU HB3 1 4 GLU HG2 2.500 . 2.800 2.577 2.345 3.019 0.219 19 0 "[ . 1 . 2]" 1
111 1 22 LEU MD1 1 49 HIS HB3 3.800 . 4.100 2.086 2.012 2.198 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL HA 1 9 ILE H 2.700 . 3.000 2.380 2.297 2.434 . 0 0 "[ . 1 . 2]" 1
113 1 30 TYR HB2 1 58 LEU MD2 5.200 . 5.500 4.755 4.403 4.942 . 0 0 "[ . 1 . 2]" 1
114 1 40 TRP HB3 1 52 TYR QD 4.700 . 5.000 2.342 2.297 2.614 . 0 0 "[ . 1 . 2]" 1
115 1 61 LYS HA 1 62 SER HB2 5.500 . 6.000 4.980 4.015 6.104 0.104 11 0 "[ . 1 . 2]" 1
116 1 21 GLU H 1 21 GLU QG 3.500 . 3.800 3.160 1.807 4.068 0.268 14 0 "[ . 1 . 2]" 1
117 1 60 GLU QB 1 61 LYS HA 4.700 . 5.000 4.272 4.051 4.907 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE HA 1 10 ALA H 2.700 . 3.000 2.138 2.119 2.157 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE HA 1 9 ILE MD 3.800 . 4.100 3.775 3.726 3.832 . 0 0 "[ . 1 . 2]" 1
120 1 33 LEU MD1 1 44 GLN HE22 5.200 . 5.500 5.154 3.414 5.547 0.047 12 0 "[ . 1 . 2]" 1
121 1 13 ASP HB3 1 14 TYR H 4.700 . 5.000 4.290 3.896 4.543 . 0 0 "[ . 1 . 2]" 1
122 1 9 ILE HG12 1 29 GLU HG2 4.700 . 5.000 4.293 3.736 4.611 . 0 0 "[ . 1 . 2]" 1
123 1 42 ARG H 1 42 ARG HG2 4.700 . 5.000 4.083 3.743 4.510 . 0 0 "[ . 1 . 2]" 1
124 1 31 TYR HA 1 32 LEU H 2.700 . 3.000 2.139 2.122 2.176 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU HG 1 58 LEU HA 4.700 . 5.000 2.388 2.341 2.549 . 0 0 "[ . 1 . 2]" 1
126 1 42 ARG HB2 1 43 VAL H 4.700 . 5.000 4.346 4.285 4.408 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU HB3 1 11 LEU MD2 3.000 . 3.300 2.243 2.211 2.274 . 0 0 "[ . 1 . 2]" 1
128 1 41 TRP HD1 1 42 ARG H 5.500 . 6.000 4.109 3.842 4.259 . 0 0 "[ . 1 . 2]" 1
129 1 32 LEU H 1 32 LEU HB2 3.500 . 3.800 2.471 2.296 2.647 . 0 0 "[ . 1 . 2]" 1
130 1 9 ILE H 1 9 ILE HB 3.500 . 3.800 2.703 2.604 2.825 . 0 0 "[ . 1 . 2]" 1
131 1 45 ASP HB3 1 46 LYS H 3.500 . 3.800 3.501 3.245 3.724 . 0 0 "[ . 1 . 2]" 1
132 1 19 PRO HD3 1 20 GLN H 4.700 . 5.000 4.118 3.793 4.884 . 0 0 "[ . 1 . 2]" 1
133 1 20 GLN HA 1 20 GLN QG 3.300 . 3.600 2.461 2.265 2.876 . 0 0 "[ . 1 . 2]" 1
134 1 40 TRP HA 1 55 SER H 4.700 . 5.000 4.495 3.770 4.730 . 0 0 "[ . 1 . 2]" 1
135 1 23 ALA HA 1 24 LEU H 2.700 . 3.000 2.164 2.149 2.197 . 0 0 "[ . 1 . 2]" 1
136 1 41 TRP HE1 1 55 SER HB3 5.500 . 6.000 4.597 3.889 5.595 . 0 0 "[ . 1 . 2]" 1
137 1 7 LEU MD2 1 31 TYR QD 5.200 . 5.500 2.986 2.521 3.505 . 0 0 "[ . 1 . 2]" 1
138 1 43 VAL H 1 43 VAL MG2 3.200 . 3.500 2.052 1.938 2.234 0.062 5 0 "[ . 1 . 2]" 1
139 1 61 LYS H 1 61 LYS QG 4.700 . 5.000 4.044 3.967 4.140 . 0 0 "[ . 1 . 2]" 1
140 1 24 LEU H 1 24 LEU MD2 5.400 . 5.700 3.268 2.882 3.571 . 0 0 "[ . 1 . 2]" 1
141 1 30 TYR HB2 1 43 VAL MG1 5.200 . 5.500 3.113 2.714 3.752 . 0 0 "[ . 1 . 2]" 1
142 1 14 TYR QB 1 15 GLN H 5.500 . 6.000 3.854 3.674 4.003 . 0 0 "[ . 1 . 2]" 1
143 1 26 CYS H 1 26 CYS QB 2.700 . 3.000 2.252 2.219 2.338 . 0 0 "[ . 1 . 2]" 1
144 1 38 ILE HA 1 39 HIS H 4.700 . 5.000 3.545 3.486 3.585 . 0 0 "[ . 1 . 2]" 1
145 1 43 VAL MG2 1 52 TYR HA 6.000 2.300 6.500 3.643 3.212 4.146 . 0 0 "[ . 1 . 2]" 1
146 1 19 PRO HD2 1 20 GLN H 4.700 . 5.000 3.156 2.536 5.049 0.049 9 0 "[ . 1 . 2]" 1
147 1 4 GLU HA 1 5 GLU H 3.500 . 3.800 3.344 3.059 3.565 . 0 0 "[ . 1 . 2]" 1
148 1 58 LEU HB2 1 59 VAL H 4.700 . 5.000 2.265 2.228 2.320 . 0 0 "[ . 1 . 2]" 1
149 1 32 LEU HG 1 43 VAL HA 4.700 . 5.000 5.026 4.429 5.212 0.212 2 0 "[ . 1 . 2]" 1
150 1 10 ALA HA 1 58 LEU MD2 3.800 . 4.100 4.026 3.844 4.130 0.030 6 0 "[ . 1 . 2]" 1
151 1 14 TYR QE 1 16 THR H 5.500 . 6.000 5.068 4.325 6.019 0.019 14 0 "[ . 1 . 2]" 1
152 1 25 ARG HG2 1 28 GLU H 5.500 . 6.000 5.818 5.369 6.014 0.014 14 0 "[ . 1 . 2]" 1
153 1 8 VAL MG2 1 43 VAL MG1 3.000 . 3.300 2.198 2.057 2.349 . 0 0 "[ . 1 . 2]" 1
154 1 41 TRP HB2 1 42 ARG H 4.700 . 5.000 4.454 4.316 4.528 . 0 0 "[ . 1 . 2]" 1
155 1 7 LEU MD2 1 30 TYR HB3 5.200 . 5.500 5.514 5.436 5.623 0.123 7 0 "[ . 1 . 2]" 1
156 1 31 TYR HB2 1 32 LEU H 5.500 . 6.000 4.506 4.354 4.567 . 0 0 "[ . 1 . 2]" 1
157 1 46 LYS H 1 46 LYS HB3 3.500 . 3.800 3.585 3.561 3.606 . 0 0 "[ . 1 . 2]" 1
158 1 61 LYS HB2 1 62 SER H 5.500 . 6.000 3.957 3.713 4.306 . 0 0 "[ . 1 . 2]" 1
159 1 45 ASP HB2 1 47 ASN H 5.500 . 6.000 3.970 3.890 4.488 . 0 0 "[ . 1 . 2]" 1
160 1 8 VAL HA 1 61 LYS H 3.500 . 3.800 3.156 2.589 3.563 . 0 0 "[ . 1 . 2]" 1
161 1 10 ALA H 1 10 ALA MB 3.200 . 3.500 2.197 2.128 2.258 . 0 0 "[ . 1 . 2]" 1
162 1 34 ASP QB 1 42 ARG HB2 4.700 . 5.000 2.274 2.087 3.060 . 0 0 "[ . 1 . 2]" 1
163 1 55 SER HA 1 58 LEU MD2 6.000 2.300 6.500 2.277 2.248 2.302 0.052 7 0 "[ . 1 . 2]" 1
164 1 18 ASP HB2 1 20 GLN H 5.500 . 6.000 3.364 2.335 5.679 . 0 0 "[ . 1 . 2]" 1
165 1 41 TRP H 1 58 LEU MD1 6.200 2.500 6.700 6.128 5.790 6.235 . 0 0 "[ . 1 . 2]" 1
166 1 18 ASP HB2 1 19 PRO HD2 5.500 . 6.000 3.437 2.243 4.729 . 0 0 "[ . 1 . 2]" 1
167 1 7 LEU HA 1 31 TYR HA 3.300 . 3.600 2.763 2.533 2.975 . 0 0 "[ . 1 . 2]" 1
168 1 58 LEU H 1 58 LEU MD1 6.200 2.500 6.700 3.061 2.998 3.157 . 0 0 "[ . 1 . 2]" 1
169 1 61 LYS HB3 1 61 LYS HD3 3.300 . 3.600 2.524 2.494 2.551 . 0 0 "[ . 1 . 2]" 1
170 1 57 TYR HB2 1 58 LEU H 5.500 . 6.000 3.938 3.861 4.035 . 0 0 "[ . 1 . 2]" 1
171 1 21 GLU QB 1 22 LEU H 3.500 . 3.800 3.079 2.359 3.770 . 0 0 "[ . 1 . 2]" 1
172 1 7 LEU HG 1 8 VAL H 5.500 . 6.000 4.663 4.293 5.055 . 0 0 "[ . 1 . 2]" 1
173 1 32 LEU MD2 1 34 ASP H 6.200 2.500 6.700 4.767 3.200 5.309 . 0 0 "[ . 1 . 2]" 1
174 1 26 CYS HA 1 27 ASP HB2 5.500 . 6.000 4.589 4.381 5.009 . 0 0 "[ . 1 . 2]" 1
175 1 9 ILE MD 1 61 LYS HD3 5.200 . 5.500 4.161 3.765 4.958 . 0 0 "[ . 1 . 2]" 1
176 1 38 ILE H 1 38 ILE MG 5.400 . 5.700 3.778 3.693 3.978 . 0 0 "[ . 1 . 2]" 1
177 1 30 TYR H 1 30 TYR HB2 3.500 . 3.800 2.728 2.573 2.813 . 0 0 "[ . 1 . 2]" 1
178 1 61 LYS HB2 1 61 LYS HD2 2.500 . 2.800 2.440 2.415 2.484 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLN HB2 1 52 TYR QD 5.500 . 6.000 4.149 2.429 6.069 0.069 6 0 "[ . 1 . 2]" 1
180 1 16 THR HA 1 17 ASN H 4.700 . 5.000 2.311 2.178 2.546 . 0 0 "[ . 1 . 2]" 1
181 1 38 ILE H 1 39 HIS H 3.500 . 3.800 2.530 1.716 2.710 0.084 1 0 "[ . 1 . 2]" 1
182 1 33 LEU HB2 1 42 ARG HB2 3.300 . 3.600 3.090 2.464 3.905 0.305 17 0 "[ . 1 . 2]" 1
183 1 22 LEU MD1 1 45 ASP H 4.000 . 4.300 3.203 2.742 3.930 . 0 0 "[ . 1 . 2]" 1
184 1 10 ALA HA 1 11 LEU HB3 5.500 . 6.000 5.691 5.682 5.697 . 0 0 "[ . 1 . 2]" 1
185 1 24 LEU MD2 1 51 GLY H 5.400 . 5.700 5.807 5.580 5.985 0.285 20 0 "[ . 1 . 2]" 1
186 1 45 ASP HA 1 46 LYS H 3.500 . 3.800 2.331 2.274 2.418 . 0 0 "[ . 1 . 2]" 1
187 1 40 TRP HA 1 41 TRP HB2 4.700 . 5.000 4.239 4.158 4.449 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU HB2 1 12 TYR QD 4.700 . 5.000 2.741 2.433 3.166 . 0 0 "[ . 1 . 2]" 1
189 1 20 GLN HB3 1 20 GLN QG 2.500 . 2.800 2.359 2.324 2.392 . 0 0 "[ . 1 . 2]" 1
190 1 25 ARG HB3 1 26 CYS H 4.700 . 5.000 3.318 3.089 4.396 . 0 0 "[ . 1 . 2]" 1
191 1 55 SER H 1 58 LEU MD1 6.200 2.500 6.700 4.603 4.508 4.659 . 0 0 "[ . 1 . 2]" 1
192 1 52 TYR HB3 1 53 ALA H 4.700 . 5.000 3.071 2.918 3.200 . 0 0 "[ . 1 . 2]" 1
193 1 38 ILE MG 1 39 HIS HE1 6.000 2.300 6.500 3.880 2.317 5.674 . 0 0 "[ . 1 . 2]" 1
194 1 55 SER HA 1 58 LEU HB2 5.500 . 6.000 4.839 4.730 4.997 . 0 0 "[ . 1 . 2]" 1
195 1 28 GLU QB 1 30 TYR QE 5.500 . 6.000 2.847 2.395 4.072 . 0 0 "[ . 1 . 2]" 1
196 1 31 TYR HB2 1 33 LEU MD2 5.200 . 5.500 5.221 4.938 5.558 0.058 20 0 "[ . 1 . 2]" 1
197 1 30 TYR HB3 1 43 VAL MG1 3.800 . 4.100 3.533 3.239 3.807 . 0 0 "[ . 1 . 2]" 1
198 1 11 LEU H 1 12 TYR H 2.700 . 3.000 2.652 2.617 2.674 . 0 0 "[ . 1 . 2]" 1
199 1 11 LEU H 1 11 LEU MD1 5.400 . 5.700 3.440 3.415 3.484 . 0 0 "[ . 1 . 2]" 1
200 1 33 LEU HG 1 43 VAL HA 4.700 . 5.000 4.509 3.493 4.889 . 0 0 "[ . 1 . 2]" 1
201 1 11 LEU MD2 1 12 TYR QD 5.200 . 5.500 4.955 4.812 5.088 . 0 0 "[ . 1 . 2]" 1
202 1 10 ALA MB 1 24 LEU MD1 3.000 . 3.300 2.827 2.665 3.029 . 0 0 "[ . 1 . 2]" 1
203 1 34 ASP QB 1 42 ARG HG3 5.500 . 6.000 3.477 2.566 5.113 . 0 0 "[ . 1 . 2]" 1
204 1 42 ARG HB2 1 52 TYR QE 4.700 . 5.000 4.293 2.764 5.068 0.068 6 0 "[ . 1 . 2]" 1
205 1 9 ILE MD 1 61 LYS HA 3.800 . 4.100 3.810 3.354 4.194 0.094 13 0 "[ . 1 . 2]" 1
206 1 11 LEU HB2 1 11 LEU MD1 3.000 . 3.300 2.319 2.268 2.345 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU MD1 1 57 TYR HA 5.200 . 5.500 3.039 2.727 3.405 . 0 0 "[ . 1 . 2]" 1
208 1 42 ARG HA 1 52 TYR HA 3.300 . 3.600 2.652 2.458 2.794 . 0 0 "[ . 1 . 2]" 1
209 1 7 LEU MD1 1 31 TYR QE 5.200 . 5.500 3.484 2.828 4.045 . 0 0 "[ . 1 . 2]" 1
210 1 61 LYS H 1 61 LYS HD2 5.500 . 6.000 5.218 4.951 5.394 . 0 0 "[ . 1 . 2]" 1
211 1 33 LEU MD2 1 44 GLN HB3 5.200 . 5.500 3.252 2.722 3.594 . 0 0 "[ . 1 . 2]" 1
212 1 14 TYR QB 1 24 LEU HB3 4.700 . 5.000 3.795 3.703 4.024 . 0 0 "[ . 1 . 2]" 1
213 1 30 TYR QE 1 45 ASP HB3 5.500 . 6.000 3.886 3.707 3.999 . 0 0 "[ . 1 . 2]" 1
214 1 9 ILE MD 1 9 ILE MG 3.000 . 3.300 1.936 1.818 1.988 . 0 0 "[ . 1 . 2]" 1
215 1 21 GLU HA 1 52 TYR QD 5.500 . 6.000 4.101 3.850 4.428 . 0 0 "[ . 1 . 2]" 1
216 1 46 LYS H 1 46 LYS QD 4.700 . 5.000 2.203 1.740 3.698 0.060 7 0 "[ . 1 . 2]" 1
217 1 62 SER HA 1 63 PRO HD2 2.500 . 2.800 2.489 2.272 2.965 0.165 8 0 "[ . 1 . 2]" 1
218 1 5 GLU H 1 5 GLU HG2 3.500 . 3.800 3.246 2.711 3.840 0.040 1 0 "[ . 1 . 2]" 1
219 1 62 SER HA 1 63 PRO QG 4.700 . 5.000 4.107 4.026 4.150 . 0 0 "[ . 1 . 2]" 1
220 1 29 GLU QB 1 29 GLU HG2 2.500 . 2.800 2.279 2.263 2.296 . 0 0 "[ . 1 . 2]" 1
221 1 47 ASN HB3 1 48 GLY H 5.500 . 6.000 4.193 4.141 4.253 . 0 0 "[ . 1 . 2]" 1
222 1 31 TYR H 1 44 GLN H 2.700 . 3.000 2.593 2.439 2.862 . 0 0 "[ . 1 . 2]" 1
223 1 40 TRP HZ3 1 54 PRO HB2 5.500 . 6.000 4.577 4.052 5.191 . 0 0 "[ . 1 . 2]" 1
224 1 13 ASP HA 1 26 CYS H 4.700 . 5.000 2.947 1.785 3.307 0.015 4 0 "[ . 1 . 2]" 1
225 1 55 SER H 1 56 SER H 2.700 . 3.000 2.563 2.525 2.600 . 0 0 "[ . 1 . 2]" 1
226 1 52 TYR H 1 52 TYR HB2 3.500 . 3.800 2.396 2.185 2.522 . 0 0 "[ . 1 . 2]" 1
227 1 18 ASP H 1 18 ASP HB2 3.500 . 3.800 3.164 2.400 3.991 0.191 13 0 "[ . 1 . 2]" 1
228 1 14 TYR QD 1 16 THR MG 5.200 . 5.500 5.250 4.111 5.625 0.125 4 0 "[ . 1 . 2]" 1
229 1 54 PRO HB2 1 56 SER H 5.500 . 6.000 3.345 2.844 3.488 . 0 0 "[ . 1 . 2]" 1
230 1 27 ASP HA 1 28 GLU H 4.700 . 5.000 3.477 3.413 3.504 . 0 0 "[ . 1 . 2]" 1
231 1 9 ILE MD 1 61 LYS HB2 5.200 . 5.500 3.225 2.908 3.481 . 0 0 "[ . 1 . 2]" 1
232 1 22 LEU HB3 1 51 GLY HA2 4.700 . 5.000 5.095 4.890 5.254 0.254 11 0 "[ . 1 . 2]" 1
233 1 52 TYR QD 1 53 ALA H 5.500 . 6.000 3.690 3.426 4.209 . 0 0 "[ . 1 . 2]" 1
234 1 12 TYR HA 1 26 CYS QB 3.300 . 3.600 3.105 2.329 3.627 0.027 17 0 "[ . 1 . 2]" 1
235 1 33 LEU H 1 33 LEU MD1 5.400 . 5.700 2.251 1.892 3.489 0.108 1 0 "[ . 1 . 2]" 1
236 1 60 GLU HA 1 61 LYS HB2 5.500 . 6.000 4.354 4.121 4.507 . 0 0 "[ . 1 . 2]" 1
237 1 25 ARG HB3 1 25 ARG QD 3.300 . 3.600 2.517 2.298 3.035 . 0 0 "[ . 1 . 2]" 1
238 1 6 THR HA 1 7 LEU H 2.700 . 3.000 2.608 2.308 2.770 . 0 0 "[ . 1 . 2]" 1
239 1 55 SER HA 1 57 TYR H 4.700 . 5.000 4.401 4.294 4.533 . 0 0 "[ . 1 . 2]" 1
240 1 8 VAL HB 1 58 LEU HB2 4.700 . 5.000 2.551 2.385 2.730 . 0 0 "[ . 1 . 2]" 1
241 1 8 VAL HB 1 30 TYR QD 5.500 . 6.000 5.571 5.008 5.798 . 0 0 "[ . 1 . 2]" 1
242 1 10 ALA HA 1 11 LEU HG 4.700 . 5.000 3.990 3.926 4.045 . 0 0 "[ . 1 . 2]" 1
243 1 6 THR MG 1 9 ILE HG13 6.000 2.300 6.500 6.606 6.526 6.744 0.244 12 0 "[ . 1 . 2]" 1
244 1 14 TYR QE 1 23 ALA HA 5.500 . 6.000 5.422 5.002 6.018 0.018 13 0 "[ . 1 . 2]" 1
245 1 10 ALA HA 1 11 LEU MD2 5.200 . 5.500 4.942 4.844 5.013 . 0 0 "[ . 1 . 2]" 1
246 1 46 LYS HA 1 46 LYS QG 3.300 . 3.600 2.612 2.276 3.187 . 0 0 "[ . 1 . 2]" 1
247 1 44 GLN HB3 1 44 GLN HG2 2.500 . 2.800 2.412 2.368 2.576 . 0 0 "[ . 1 . 2]" 1
248 1 14 TYR HA 1 14 TYR QB 2.500 . 2.800 2.383 2.334 2.442 . 0 0 "[ . 1 . 2]" 1
249 1 60 GLU HA 1 61 LYS HA 4.700 . 5.000 4.410 4.332 4.463 . 0 0 "[ . 1 . 2]" 1
250 1 6 THR HB 1 32 LEU HB2 4.700 . 5.000 5.103 5.001 5.281 0.281 15 0 "[ . 1 . 2]" 1
251 1 59 VAL HB 1 60 GLU H 3.500 . 3.800 3.106 2.570 3.909 0.109 13 0 "[ . 1 . 2]" 1
252 1 12 TYR H 1 26 CYS HA 4.700 . 5.000 4.496 4.264 4.694 . 0 0 "[ . 1 . 2]" 1
253 1 31 TYR HB3 1 33 LEU MD2 5.200 . 5.500 4.361 4.010 5.012 . 0 0 "[ . 1 . 2]" 1
254 1 9 ILE HG12 1 9 ILE MG 3.000 . 3.300 2.374 2.306 2.443 . 0 0 "[ . 1 . 2]" 1
255 1 36 SER HA 1 37 GLU H 4.700 . 5.000 3.379 2.212 3.549 . 0 0 "[ . 1 . 2]" 1
256 1 10 ALA MB 1 24 LEU HB2 3.800 . 4.100 2.857 2.513 3.182 . 0 0 "[ . 1 . 2]" 1
257 1 45 ASP H 1 50 GLU HA 4.700 . 5.000 3.520 3.253 3.802 . 0 0 "[ . 1 . 2]" 1
258 1 11 LEU MD1 1 58 LEU HA 6.000 2.300 6.500 3.149 2.923 3.329 . 0 0 "[ . 1 . 2]" 1
259 1 42 ARG HG3 1 52 TYR H 5.500 . 6.000 5.650 4.749 6.163 0.163 20 0 "[ . 1 . 2]" 1
260 1 8 VAL HB 1 9 ILE HG12 5.500 . 6.000 5.719 5.364 6.099 0.099 2 0 "[ . 1 . 2]" 1
261 1 28 GLU HA 1 28 GLU QG 3.300 . 3.600 2.979 2.395 3.429 . 0 0 "[ . 1 . 2]" 1
262 1 42 ARG H 1 42 ARG HB3 3.500 . 3.800 3.255 2.623 3.613 . 0 0 "[ . 1 . 2]" 1
263 1 32 LEU HB2 1 32 LEU MD2 3.000 . 3.300 2.568 2.327 3.176 . 0 0 "[ . 1 . 2]" 1
264 1 40 TRP HZ3 1 54 PRO HD3 4.700 . 5.000 2.641 2.287 2.990 . 0 0 "[ . 1 . 2]" 1
265 1 5 GLU HA 1 35 SER HB3 4.700 . 5.000 4.746 4.506 5.197 0.197 15 0 "[ . 1 . 2]" 1
266 1 25 ARG HB2 1 25 ARG HG3 2.500 . 2.800 2.413 2.325 2.539 . 0 0 "[ . 1 . 2]" 1
267 1 9 ILE MD 1 61 LYS HD2 5.200 . 5.500 2.673 2.258 3.635 . 0 0 "[ . 1 . 2]" 1
268 1 32 LEU HG 1 34 ASP H 3.500 . 3.800 3.808 3.228 3.998 0.198 3 0 "[ . 1 . 2]" 1
269 1 38 ILE MD 1 39 HIS HE1 5.200 . 5.500 5.054 3.880 5.550 0.050 12 0 "[ . 1 . 2]" 1
270 1 20 GLN HB3 1 21 GLU H 5.500 . 6.000 3.760 3.219 4.454 . 0 0 "[ . 1 . 2]" 1
271 1 38 ILE H 1 38 ILE MD 4.000 . 4.300 3.153 1.846 4.394 0.154 4 0 "[ . 1 . 2]" 1
272 1 6 THR MG 1 60 GLU HG3 5.200 . 5.500 4.364 3.577 4.639 . 0 0 "[ . 1 . 2]" 1
273 1 40 TRP HZ3 1 53 ALA MB 5.200 . 5.500 5.349 5.001 5.584 0.084 8 0 "[ . 1 . 2]" 1
274 1 60 GLU HG3 1 61 LYS H 4.700 . 5.000 4.808 4.717 5.098 0.098 13 0 "[ . 1 . 2]" 1
275 1 63 PRO HA 1 63 PRO QG 3.300 . 3.600 3.324 2.931 3.530 . 0 0 "[ . 1 . 2]" 1
276 1 32 LEU HB2 1 35 SER HB2 5.500 . 6.000 5.535 5.118 5.774 . 0 0 "[ . 1 . 2]" 1
277 1 11 LEU HB3 1 12 TYR H 4.700 . 5.000 3.560 3.528 3.593 . 0 0 "[ . 1 . 2]" 1
278 1 18 ASP H 1 18 ASP HB3 3.500 . 3.800 3.781 3.378 3.910 0.110 18 0 "[ . 1 . 2]" 1
279 1 8 VAL MG2 1 41 TRP HE3 3.800 . 4.100 3.615 3.521 3.678 . 0 0 "[ . 1 . 2]" 1
280 1 57 TYR H 1 58 LEU HG 5.500 . 6.000 3.428 3.366 3.547 . 0 0 "[ . 1 . 2]" 1
281 1 30 TYR H 1 30 TYR HB3 3.500 . 3.800 3.827 3.726 3.878 0.078 9 0 "[ . 1 . 2]" 1
282 1 51 GLY HA3 1 52 TYR H 3.500 . 3.800 2.821 2.725 2.882 . 0 0 "[ . 1 . 2]" 1
283 1 30 TYR QE 1 45 ASP HB2 2.500 . 2.800 2.290 2.256 2.324 . 0 0 "[ . 1 . 2]" 1
284 1 22 LEU HB3 1 23 ALA H 5.500 . 6.000 3.930 1.716 4.370 0.084 11 0 "[ . 1 . 2]" 1
285 1 33 LEU HB3 1 33 LEU MD2 3.000 . 3.300 2.214 2.198 2.237 . 0 0 "[ . 1 . 2]" 1
286 1 24 LEU MD2 1 53 ALA HA 3.800 . 4.100 3.983 3.679 4.207 0.107 1 0 "[ . 1 . 2]" 1
287 1 7 LEU HA 1 8 VAL H 2.700 . 3.000 2.309 2.281 2.338 . 0 0 "[ . 1 . 2]" 1
288 1 15 GLN HB2 1 16 THR H 4.700 . 5.000 3.442 1.840 4.312 . 0 0 "[ . 1 . 2]" 1
289 1 40 TRP HE3 1 54 PRO HD3 5.500 . 6.000 3.867 3.093 4.110 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLN H 1 21 GLU H 2.700 . 3.000 2.455 2.055 3.063 0.063 8 0 "[ . 1 . 2]" 1
291 1 9 ILE HA 1 29 GLU HA 2.500 . 2.800 2.330 2.285 2.411 . 0 0 "[ . 1 . 2]" 1
292 1 8 VAL HA 1 9 ILE HG13 5.500 . 6.000 3.319 3.191 3.421 . 0 0 "[ . 1 . 2]" 1
293 1 9 ILE MG 1 10 ALA H 3.200 . 3.500 2.585 2.511 2.675 . 0 0 "[ . 1 . 2]" 1
294 1 33 LEU HB2 1 34 ASP QB 5.500 . 6.000 3.644 3.390 3.949 . 0 0 "[ . 1 . 2]" 1
295 1 23 ALA H 1 23 ALA MB 3.200 . 3.500 2.272 2.160 2.847 . 0 0 "[ . 1 . 2]" 1
296 1 58 LEU MD2 1 59 VAL H 4.000 . 4.300 4.327 4.278 4.386 0.086 7 0 "[ . 1 . 2]" 1
297 1 46 LYS HB2 1 46 LYS QD 3.300 . 3.600 2.628 2.207 3.320 . 0 0 "[ . 1 . 2]" 1
298 1 23 ALA HA 1 24 LEU HA 4.700 . 5.000 4.437 4.425 4.466 . 0 0 "[ . 1 . 2]" 1
299 1 47 ASN HB2 1 48 GLY H 4.700 . 5.000 3.493 3.416 3.657 . 0 0 "[ . 1 . 2]" 1
300 1 46 LYS HA 1 47 ASN H 4.700 . 5.000 3.356 3.310 3.532 . 0 0 "[ . 1 . 2]" 1
301 1 9 ILE HG12 1 10 ALA H 5.500 . 6.000 4.453 4.307 4.706 . 0 0 "[ . 1 . 2]" 1
302 1 22 LEU MD2 1 51 GLY H 5.400 . 5.700 3.025 2.853 3.460 . 0 0 "[ . 1 . 2]" 1
303 1 16 THR MG 1 22 LEU H 5.400 . 5.700 5.040 1.931 5.817 0.117 6 0 "[ . 1 . 2]" 1
304 1 53 ALA H 1 58 LEU MD2 5.400 . 5.700 4.717 4.611 5.051 . 0 0 "[ . 1 . 2]" 1
305 1 19 PRO QG 1 20 GLN H 5.500 . 6.000 3.535 2.698 4.936 . 0 0 "[ . 1 . 2]" 1
306 1 18 ASP HA 1 19 PRO HD3 2.500 . 2.800 2.307 2.205 2.570 . 0 0 "[ . 1 . 2]" 1
307 1 39 HIS HB3 1 40 TRP HD1 4.700 . 5.000 2.874 2.337 3.665 . 0 0 "[ . 1 . 2]" 1
308 1 43 VAL HA 1 43 VAL MG1 3.000 . 3.300 2.312 2.229 2.470 . 0 0 "[ . 1 . 2]" 1
309 1 40 TRP HZ3 1 53 ALA HA 4.700 . 5.000 4.329 3.848 4.724 . 0 0 "[ . 1 . 2]" 1
310 1 50 GLU HB3 1 51 GLY H 4.700 . 5.000 3.778 2.916 3.916 . 0 0 "[ . 1 . 2]" 1
311 1 31 TYR HB3 1 32 LEU H 4.700 . 5.000 3.618 3.286 3.783 . 0 0 "[ . 1 . 2]" 1
312 1 33 LEU MD1 1 44 GLN HB2 3.800 . 4.100 2.288 2.051 3.609 . 0 0 "[ . 1 . 2]" 1
313 1 60 GLU QB 1 61 LYS H 3.500 . 3.800 2.790 2.509 3.166 . 0 0 "[ . 1 . 2]" 1
314 1 21 GLU QG 1 22 LEU H 4.700 . 5.000 3.351 1.806 4.395 . 0 0 "[ . 1 . 2]" 1
315 1 47 ASN HA 1 47 ASN HB3 2.500 . 2.800 2.519 2.480 2.540 . 0 0 "[ . 1 . 2]" 1
316 1 33 LEU H 1 34 ASP QB 5.500 . 6.000 4.586 4.411 4.840 . 0 0 "[ . 1 . 2]" 1
317 1 41 TRP HA 1 42 ARG HA 4.700 . 5.000 4.337 4.294 4.368 . 0 0 "[ . 1 . 2]" 1
318 1 8 VAL HB 1 9 ILE H 3.500 . 3.800 2.478 2.356 2.705 . 0 0 "[ . 1 . 2]" 1
319 1 30 TYR QD 1 45 ASP HB3 4.700 . 5.000 4.243 3.969 4.602 . 0 0 "[ . 1 . 2]" 1
320 1 60 GLU HG2 1 61 LYS H 3.500 . 3.800 3.900 3.813 3.989 0.189 18 0 "[ . 1 . 2]" 1
321 1 30 TYR HB3 1 31 TYR H 3.500 . 3.800 2.257 2.157 2.488 . 0 0 "[ . 1 . 2]" 1
322 1 54 PRO HB3 1 57 TYR H 4.700 . 5.000 3.385 3.285 4.179 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU HA 1 51 GLY HA2 4.700 . 5.000 4.094 3.272 4.982 . 0 0 "[ . 1 . 2]" 1
324 1 7 LEU H 1 7 LEU HB3 3.500 . 3.800 3.800 3.764 3.822 0.022 9 0 "[ . 1 . 2]" 1
325 1 41 TRP HH2 1 58 LEU MD1 3.800 . 4.100 4.157 4.099 4.211 0.111 1 0 "[ . 1 . 2]" 1
326 1 33 LEU HA 1 33 LEU MD2 3.000 . 3.300 3.264 2.262 3.526 0.226 20 0 "[ . 1 . 2]" 1
327 1 22 LEU MD2 1 50 GLU HB2 5.200 . 5.500 4.717 4.316 5.538 0.038 14 0 "[ . 1 . 2]" 1
328 1 24 LEU H 1 24 LEU MD1 5.400 . 5.700 3.802 3.633 3.881 . 0 0 "[ . 1 . 2]" 1
329 1 11 LEU HA 1 12 TYR H 4.700 . 5.000 3.537 3.529 3.542 . 0 0 "[ . 1 . 2]" 1
330 1 23 ALA MB 1 24 LEU HA 6.000 2.300 6.500 4.200 4.106 4.337 . 0 0 "[ . 1 . 2]" 1
331 1 6 THR H 1 6 THR MG 5.400 . 5.700 2.675 2.170 3.906 . 0 0 "[ . 1 . 2]" 1
332 1 18 ASP HB3 1 20 GLN H 5.500 . 6.000 3.103 2.170 4.410 . 0 0 "[ . 1 . 2]" 1
333 1 22 LEU HB2 1 51 GLY HA2 3.300 . 3.600 3.684 3.639 3.771 0.171 8 0 "[ . 1 . 2]" 1
334 1 29 GLU QB 1 30 TYR H 4.700 . 5.000 2.410 2.209 2.737 . 0 0 "[ . 1 . 2]" 1
335 1 30 TYR QD 1 46 LYS QE 4.700 . 5.000 5.031 4.898 5.194 0.194 14 0 "[ . 1 . 2]" 1
336 1 7 LEU HA 1 7 LEU MD2 3.800 . 4.100 2.910 2.221 3.463 . 0 0 "[ . 1 . 2]" 1
337 1 61 LYS HA 1 61 LYS HD2 5.500 . 6.000 4.198 4.177 4.233 . 0 0 "[ . 1 . 2]" 1
338 1 22 LEU MD1 1 51 GLY HA2 6.000 2.300 6.500 4.394 3.929 4.779 . 0 0 "[ . 1 . 2]" 1
339 1 31 TYR HB2 1 44 GLN HB2 4.700 . 5.000 4.567 4.219 5.127 0.127 20 0 "[ . 1 . 2]" 1
340 1 40 TRP HE3 1 54 PRO HG3 4.700 . 5.000 4.555 3.970 5.217 0.217 1 0 "[ . 1 . 2]" 1
341 1 44 GLN HA 1 51 GLY H 4.700 . 5.000 3.886 3.596 4.039 . 0 0 "[ . 1 . 2]" 1
342 1 40 TRP HB2 1 41 TRP H 4.700 . 5.000 4.101 3.757 4.340 . 0 0 "[ . 1 . 2]" 1
343 1 58 LEU HB3 1 59 VAL H 5.500 . 6.000 3.669 3.636 3.702 . 0 0 "[ . 1 . 2]" 1
344 1 32 LEU HG 1 41 TRP HB3 5.500 . 6.000 4.844 4.415 5.003 . 0 0 "[ . 1 . 2]" 1
345 1 35 SER H 1 36 SER H 4.700 . 5.000 3.110 2.114 4.553 . 0 0 "[ . 1 . 2]" 1
346 1 32 LEU HA 1 43 VAL HA 4.700 . 5.000 2.801 2.672 3.118 . 0 0 "[ . 1 . 2]" 1
347 1 29 GLU HA 1 30 TYR QD 4.700 . 5.000 2.726 2.607 2.918 . 0 0 "[ . 1 . 2]" 1
348 1 8 VAL HA 1 60 GLU HG3 5.500 . 6.000 5.491 4.722 6.171 0.171 13 0 "[ . 1 . 2]" 1
349 1 8 VAL MG2 1 60 GLU HA 5.200 . 5.500 4.884 4.554 5.030 . 0 0 "[ . 1 . 2]" 1
350 1 5 GLU QB 1 6 THR H 4.700 . 5.000 2.920 1.821 3.737 . 0 0 "[ . 1 . 2]" 1
351 1 20 GLN H 1 20 GLN QG 2.700 . 3.000 2.522 2.305 3.220 0.220 9 0 "[ . 1 . 2]" 1
352 1 54 PRO HD2 1 57 TYR HB2 5.500 . 6.000 4.218 3.988 4.355 . 0 0 "[ . 1 . 2]" 1
353 1 60 GLU HA 1 60 GLU HG2 3.300 . 3.600 2.474 2.323 3.658 0.058 13 0 "[ . 1 . 2]" 1
354 1 19 PRO HA 1 19 PRO HB3 2.500 . 2.800 2.310 2.302 2.317 . 0 0 "[ . 1 . 2]" 1
355 1 19 PRO HA 1 19 PRO QG 3.300 . 3.600 3.285 2.952 3.529 . 0 0 "[ . 1 . 2]" 1
356 1 14 TYR QE 1 54 PRO HG3 4.700 . 5.000 4.087 3.152 4.629 . 0 0 "[ . 1 . 2]" 1
357 1 25 ARG HB2 1 26 CYS H 5.500 . 6.000 3.440 3.330 3.933 . 0 0 "[ . 1 . 2]" 1
358 1 14 TYR H 1 24 LEU HB2 4.700 . 5.000 2.354 2.173 2.723 . 0 0 "[ . 1 . 2]" 1
359 1 15 GLN HA 1 15 GLN QG 3.300 . 3.600 3.075 2.295 3.435 . 0 0 "[ . 1 . 2]" 1
360 1 16 THR HA 1 18 ASP H 5.500 . 6.000 4.288 3.402 5.224 . 0 0 "[ . 1 . 2]" 1
361 1 14 TYR QD 1 23 ALA MB 5.200 . 5.500 5.384 4.932 5.669 0.169 13 0 "[ . 1 . 2]" 1
362 1 40 TRP HZ3 1 54 PRO HG2 5.500 . 6.000 4.002 3.824 4.350 . 0 0 "[ . 1 . 2]" 1
363 1 33 LEU MD1 1 34 ASP H 6.200 2.500 6.700 3.606 3.225 4.278 . 0 0 "[ . 1 . 2]" 1
364 1 9 ILE HB 1 9 ILE MD 3.000 . 3.300 2.380 2.326 2.445 . 0 0 "[ . 1 . 2]" 1
365 1 10 ALA HA 1 12 TYR H 4.700 . 5.000 3.818 3.779 3.866 . 0 0 "[ . 1 . 2]" 1
366 1 33 LEU MD2 1 43 VAL MG1 6.000 2.300 6.500 5.810 5.413 6.053 . 0 0 "[ . 1 . 2]" 1
367 1 8 VAL HA 1 59 VAL HB 5.500 . 6.000 5.646 5.193 5.941 . 0 0 "[ . 1 . 2]" 1
368 1 57 TYR H 1 57 TYR HB2 3.500 . 3.800 2.349 2.296 2.380 . 0 0 "[ . 1 . 2]" 1
369 1 15 GLN QG 1 16 THR MG 5.200 . 5.500 5.019 4.241 5.688 0.188 9 0 "[ . 1 . 2]" 1
370 1 32 LEU HA 1 43 VAL MG1 3.800 . 4.100 2.707 2.316 2.967 . 0 0 "[ . 1 . 2]" 1
371 1 52 TYR HB2 1 53 ALA H 5.500 . 6.000 4.107 3.969 4.283 . 0 0 "[ . 1 . 2]" 1
372 1 49 HIS HB3 1 50 GLU H 4.700 . 5.000 3.246 2.931 3.402 . 0 0 "[ . 1 . 2]" 1
373 1 12 TYR QE 1 57 TYR HA 4.700 . 5.000 4.308 3.635 4.746 . 0 0 "[ . 1 . 2]" 1
374 1 45 ASP HB2 1 46 LYS H 3.500 . 3.800 3.920 3.818 4.030 0.230 14 0 "[ . 1 . 2]" 1
375 1 39 HIS H 1 39 HIS HD2 5.500 . 6.000 3.111 1.987 4.524 . 0 0 "[ . 1 . 2]" 1
376 1 14 TYR QE 1 53 ALA MB 5.200 . 5.500 5.487 5.005 5.724 0.224 19 0 "[ . 1 . 2]" 1
377 1 59 VAL HA 1 60 GLU HA 4.700 . 5.000 4.321 4.312 4.364 . 0 0 "[ . 1 . 2]" 1
378 1 25 ARG HA 1 25 ARG QD 4.700 . 5.000 4.203 3.879 4.508 . 0 0 "[ . 1 . 2]" 1
379 1 54 PRO HG3 1 57 TYR QD 5.500 . 6.000 4.335 3.937 4.436 . 0 0 "[ . 1 . 2]" 1
380 1 35 SER HB2 1 41 TRP HD1 5.500 . 6.000 5.463 5.148 5.822 . 0 0 "[ . 1 . 2]" 1
381 1 54 PRO HB2 1 57 TYR HB2 5.500 . 6.000 2.325 2.251 3.002 . 0 0 "[ . 1 . 2]" 1
382 1 46 LYS HB2 1 47 ASN H 5.500 . 6.000 3.367 2.657 3.510 . 0 0 "[ . 1 . 2]" 1
383 1 29 GLU HG3 1 30 TYR QD 4.700 . 5.000 5.113 5.068 5.252 0.252 4 0 "[ . 1 . 2]" 1
384 1 16 THR HB 1 18 ASP H 5.500 . 6.000 4.060 3.548 5.006 . 0 0 "[ . 1 . 2]" 1
385 1 8 VAL HB 1 58 LEU MD2 3.800 . 4.100 2.855 2.578 3.026 . 0 0 "[ . 1 . 2]" 1
386 1 7 LEU MD2 1 31 TYR QE 5.200 . 5.500 2.846 2.375 3.432 . 0 0 "[ . 1 . 2]" 1
387 1 47 ASN HB3 1 49 HIS HD2 5.500 . 6.000 3.640 2.698 4.670 . 0 0 "[ . 1 . 2]" 1
388 1 60 GLU HA 1 61 LYS H 2.700 . 3.000 2.240 2.122 2.354 . 0 0 "[ . 1 . 2]" 1
389 1 3 PRO HG2 1 5 GLU QB 2.500 . 2.800 2.942 2.836 3.301 0.501 16 1 "[ . 1 .+ 2]" 1
390 1 9 ILE MG 1 27 ASP HA 3.000 . 3.300 2.883 2.738 3.394 0.094 4 0 "[ . 1 . 2]" 1
391 1 60 GLU HA 1 61 LYS HB3 5.500 . 6.000 4.721 4.619 4.849 . 0 0 "[ . 1 . 2]" 1
392 1 12 TYR HB3 1 57 TYR QE 5.500 . 6.000 5.122 4.822 5.793 . 0 0 "[ . 1 . 2]" 1
393 1 15 GLN HE22 1 21 GLU QB 5.500 . 6.000 5.285 3.860 6.057 0.057 14 0 "[ . 1 . 2]" 1
394 1 27 ASP H 1 28 GLU QB 5.500 . 6.000 4.593 4.500 5.013 . 0 0 "[ . 1 . 2]" 1
395 1 62 SER HA 1 62 SER HB2 2.500 . 2.800 2.640 2.274 2.997 0.197 18 0 "[ . 1 . 2]" 1
396 1 40 TRP HB3 1 52 TYR HB3 3.300 . 3.600 2.465 2.293 2.831 . 0 0 "[ . 1 . 2]" 1
397 1 41 TRP HA 1 42 ARG H 2.700 . 3.000 2.060 2.038 2.086 . 0 0 "[ . 1 . 2]" 1
398 1 38 ILE MD 1 38 ILE MG 3.000 . 3.300 2.055 1.806 3.251 . 0 0 "[ . 1 . 2]" 1
399 1 30 TYR HA 1 31 TYR H 3.500 . 3.800 2.449 2.337 2.502 . 0 0 "[ . 1 . 2]" 1
400 1 33 LEU MD2 1 43 VAL HA 5.200 . 5.500 4.718 4.256 4.986 . 0 0 "[ . 1 . 2]" 1
401 1 50 GLU H 1 50 GLU QG 4.700 . 5.000 2.053 1.851 3.568 . 0 0 "[ . 1 . 2]" 1
402 1 5 GLU QB 1 5 GLU HG2 2.500 . 2.800 2.396 2.368 2.447 . 0 0 "[ . 1 . 2]" 1
403 1 20 GLN HA 1 21 GLU H 4.700 . 5.000 3.430 2.599 3.575 . 0 0 "[ . 1 . 2]" 1
404 1 42 ARG QD 1 43 VAL H 5.500 . 6.000 5.072 4.722 5.697 . 0 0 "[ . 1 . 2]" 1
405 1 12 TYR H 1 12 TYR QE 5.500 . 6.000 4.775 4.568 4.917 . 0 0 "[ . 1 . 2]" 1
406 1 60 GLU H 1 60 GLU HG2 3.500 . 3.800 3.642 3.563 3.823 0.023 17 0 "[ . 1 . 2]" 1
407 1 14 TYR QE 1 54 PRO HG2 4.700 . 5.000 3.758 2.820 4.555 . 0 0 "[ . 1 . 2]" 1
408 1 7 LEU H 1 7 LEU MD2 5.400 . 5.700 3.850 3.227 4.392 . 0 0 "[ . 1 . 2]" 1
409 1 15 GLN HA 1 16 THR MG 5.200 . 5.500 4.704 3.186 5.617 0.117 14 0 "[ . 1 . 2]" 1
410 1 13 ASP H 1 26 CYS QB 3.500 . 3.800 2.911 2.435 3.343 . 0 0 "[ . 1 . 2]" 1
411 1 12 TYR HB2 1 13 ASP H 3.500 . 3.800 3.761 3.401 3.868 0.068 9 0 "[ . 1 . 2]" 1
412 1 17 ASN HA 1 17 ASN HB3 2.500 . 2.800 2.557 2.469 3.008 0.208 6 0 "[ . 1 . 2]" 1
413 1 14 TYR H 1 14 TYR QD 4.700 . 5.000 4.215 4.142 4.246 . 0 0 "[ . 1 . 2]" 1
414 1 22 LEU HB2 1 51 GLY H 4.700 . 5.000 2.830 2.539 3.239 . 0 0 "[ . 1 . 2]" 1
415 1 26 CYS HA 1 28 GLU H 3.500 . 3.800 3.501 3.389 3.596 . 0 0 "[ . 1 . 2]" 1
416 1 19 PRO HB3 1 19 PRO HD3 3.300 . 3.600 3.423 2.955 3.940 0.340 19 0 "[ . 1 . 2]" 1
417 1 41 TRP HA 1 42 ARG QD 5.500 . 6.000 5.674 5.239 6.143 0.143 11 0 "[ . 1 . 2]" 1
418 1 17 ASN H 1 18 ASP H 3.500 . 3.800 2.920 2.199 3.874 0.074 9 0 "[ . 1 . 2]" 1
419 1 28 GLU H 1 28 GLU QB 2.700 . 3.000 2.232 2.206 2.332 . 0 0 "[ . 1 . 2]" 1
420 1 43 VAL H 1 51 GLY H 3.500 . 3.800 3.068 2.898 3.324 . 0 0 "[ . 1 . 2]" 1
421 1 38 ILE H 1 38 ILE HG12 3.500 . 3.800 2.985 1.909 3.980 0.180 2 0 "[ . 1 . 2]" 1
422 1 38 ILE HG13 1 38 ILE MG 3.000 . 3.300 2.760 2.292 3.204 . 0 0 "[ . 1 . 2]" 1
423 1 21 GLU HA 1 52 TYR HB2 4.700 . 5.000 3.100 2.657 3.866 . 0 0 "[ . 1 . 2]" 1
424 1 59 VAL H 1 59 VAL MG2 3.200 . 3.500 2.490 2.114 3.025 . 0 0 "[ . 1 . 2]" 1
425 1 59 VAL H 1 59 VAL MG1 4.000 . 4.300 3.477 3.057 3.991 . 0 0 "[ . 1 . 2]" 1
426 1 30 TYR QD 1 43 VAL MG2 5.200 . 5.500 3.634 2.317 4.003 . 0 0 "[ . 1 . 2]" 1
427 1 61 LYS HB2 1 61 LYS HE3 4.700 . 5.000 4.343 4.282 4.606 . 0 0 "[ . 1 . 2]" 1
428 1 47 ASN HB3 1 49 HIS HD1 5.500 . 6.000 4.847 3.982 5.658 . 0 0 "[ . 1 . 2]" 1
429 1 44 GLN HA 1 45 ASP H 2.700 . 3.000 2.182 2.153 2.224 . 0 0 "[ . 1 . 2]" 1
430 1 8 VAL MG1 1 32 LEU HB2 3.800 . 4.100 2.548 2.272 3.319 . 0 0 "[ . 1 . 2]" 1
431 1 7 LEU H 1 7 LEU MD1 5.400 . 5.700 2.856 2.046 3.802 . 0 0 "[ . 1 . 2]" 1
432 1 19 PRO HD3 1 19 PRO QG 2.500 . 2.800 2.209 2.169 2.261 . 0 0 "[ . 1 . 2]" 1
433 1 11 LEU HG 1 12 TYR H 5.500 . 6.000 4.345 4.317 4.365 . 0 0 "[ . 1 . 2]" 1
434 1 24 LEU HA 1 24 LEU MD2 3.800 . 4.100 2.161 2.123 2.241 . 0 0 "[ . 1 . 2]" 1
435 1 24 LEU MD2 1 30 TYR QD 5.200 . 5.500 3.208 2.849 3.412 . 0 0 "[ . 1 . 2]" 1
436 1 7 LEU HB3 1 31 TYR H 4.700 . 5.000 5.243 5.087 5.367 0.367 19 0 "[ . 1 . 2]" 1
437 1 6 THR HB 1 62 SER HA 3.300 . 3.600 3.725 3.597 3.909 0.309 8 0 "[ . 1 . 2]" 1
438 1 24 LEU HB2 1 24 LEU MD2 6.000 2.300 6.500 3.212 3.204 3.223 . 0 0 "[ . 1 . 2]" 1
439 1 33 LEU MD2 1 44 GLN HB2 3.800 . 4.100 2.918 2.381 4.134 0.034 8 0 "[ . 1 . 2]" 1
440 1 8 VAL MG1 1 61 LYS H 5.400 . 5.700 3.576 3.229 3.927 . 0 0 "[ . 1 . 2]" 1
441 1 11 LEU H 1 57 TYR HB3 5.500 . 6.000 4.020 3.855 4.181 . 0 0 "[ . 1 . 2]" 1
442 1 7 LEU HA 1 8 VAL MG2 5.200 . 5.500 3.454 3.178 3.594 . 0 0 "[ . 1 . 2]" 1
443 1 40 TRP HE3 1 53 ALA HA 4.700 . 5.000 4.386 3.683 4.826 . 0 0 "[ . 1 . 2]" 1
444 1 32 LEU HA 1 32 LEU HG 3.300 . 3.600 2.701 2.322 2.973 . 0 0 "[ . 1 . 2]" 1
445 1 14 TYR QD 1 24 LEU MD1 5.200 . 5.500 3.060 2.773 3.441 . 0 0 "[ . 1 . 2]" 1
446 1 24 LEU MD1 1 54 PRO HD3 5.200 . 5.500 3.724 3.492 3.954 . 0 0 "[ . 1 . 2]" 1
447 1 24 LEU MD2 1 58 LEU MD2 3.800 . 4.100 4.032 3.685 4.235 0.135 4 0 "[ . 1 . 2]" 1
448 1 21 GLU HA 1 52 TYR HB3 5.500 . 6.000 4.577 4.100 5.483 . 0 0 "[ . 1 . 2]" 1
449 1 42 ARG HG2 1 43 VAL H 4.700 . 5.000 3.715 2.852 4.229 . 0 0 "[ . 1 . 2]" 1
450 1 8 VAL HA 1 61 LYS HB2 5.500 . 6.000 3.235 2.921 4.781 . 0 0 "[ . 1 . 2]" 1
451 1 9 ILE H 1 11 LEU MD2 5.400 . 5.700 5.645 5.517 5.730 0.030 1 0 "[ . 1 . 2]" 1
452 1 30 TYR H 1 30 TYR QD 4.700 . 5.000 2.787 2.725 2.865 . 0 0 "[ . 1 . 2]" 1
453 1 40 TRP HB3 1 41 TRP H 5.500 . 6.000 2.955 2.359 3.364 . 0 0 "[ . 1 . 2]" 1
454 1 29 GLU H 1 29 GLU HG3 3.500 . 3.800 2.329 2.195 2.471 . 0 0 "[ . 1 . 2]" 1
455 1 61 LYS H 1 61 LYS HB2 3.500 . 3.800 2.854 2.558 3.063 . 0 0 "[ . 1 . 2]" 1
456 1 13 ASP H 1 13 ASP HB3 3.500 . 3.800 2.922 2.506 3.601 . 0 0 "[ . 1 . 2]" 1
457 1 15 GLN H 1 15 GLN QG 3.500 . 3.800 3.124 1.788 4.073 0.273 11 0 "[ . 1 . 2]" 1
458 1 49 HIS H 1 49 HIS HB3 3.500 . 3.800 3.662 3.640 3.732 . 0 0 "[ . 1 . 2]" 1
459 1 24 LEU HB2 1 25 ARG H 4.700 . 5.000 3.779 3.323 4.063 . 0 0 "[ . 1 . 2]" 1
460 1 15 GLN HE22 1 21 GLU QG 4.700 . 5.000 5.059 4.613 5.308 0.308 7 0 "[ . 1 . 2]" 1
461 1 10 ALA H 1 58 LEU MD2 5.400 . 5.700 5.228 5.075 5.427 . 0 0 "[ . 1 . 2]" 1
462 1 11 LEU H 1 11 LEU MD2 4.000 . 4.300 3.533 3.459 3.576 . 0 0 "[ . 1 . 2]" 1
463 1 30 TYR HA 1 46 LYS QE 3.300 . 3.600 3.158 2.957 3.740 0.140 14 0 "[ . 1 . 2]" 1
464 1 16 THR MG 1 21 GLU QB 3.800 . 4.100 2.905 2.116 3.802 . 0 0 "[ . 1 . 2]" 1
465 1 61 LYS HB2 1 61 LYS QG 2.500 . 2.800 2.391 2.377 2.400 . 0 0 "[ . 1 . 2]" 1
466 1 56 SER HA 1 57 TYR H 4.700 . 5.000 3.543 3.534 3.555 . 0 0 "[ . 1 . 2]" 1
467 1 28 GLU HA 1 29 GLU QB 5.500 . 6.000 4.432 4.365 4.487 . 0 0 "[ . 1 . 2]" 1
468 1 61 LYS HA 1 61 LYS QG 3.300 . 3.600 2.280 2.209 2.320 . 0 0 "[ . 1 . 2]" 1
469 1 35 SER HB3 1 41 TRP HD1 5.500 . 6.000 6.159 6.034 6.412 0.412 18 0 "[ . 1 . 2]" 1
470 1 11 LEU H 1 58 LEU HA 4.700 . 5.000 2.443 2.286 2.543 . 0 0 "[ . 1 . 2]" 1
471 1 33 LEU H 1 43 VAL HA 2.700 . 3.000 2.979 2.470 3.117 0.117 13 0 "[ . 1 . 2]" 1
472 1 13 ASP HA 1 14 TYR H 3.500 . 3.800 2.233 2.209 2.253 . 0 0 "[ . 1 . 2]" 1
473 1 15 GLN H 1 15 GLN HB3 3.500 . 3.800 2.741 2.445 3.290 . 0 0 "[ . 1 . 2]" 1
474 1 33 LEU HG 1 44 GLN HB2 5.500 . 6.000 4.258 3.787 6.074 0.074 8 0 "[ . 1 . 2]" 1
475 1 13 ASP H 1 13 ASP HB2 3.500 . 3.800 2.761 2.337 3.595 . 0 0 "[ . 1 . 2]" 1
476 1 10 ALA MB 1 12 TYR H 4.000 . 4.300 3.442 3.252 3.550 . 0 0 "[ . 1 . 2]" 1
477 1 29 GLU HA 1 30 TYR HA 4.700 . 5.000 4.499 4.450 4.521 . 0 0 "[ . 1 . 2]" 1
478 1 52 TYR H 1 52 TYR QD 4.700 . 5.000 2.690 2.349 2.841 . 0 0 "[ . 1 . 2]" 1
479 1 7 LEU HA 1 32 LEU H 4.700 . 5.000 2.516 2.204 3.024 . 0 0 "[ . 1 . 2]" 1
480 1 58 LEU HA 1 58 LEU MD1 6.000 2.300 6.500 3.543 3.520 3.565 . 0 0 "[ . 1 . 2]" 1
481 1 54 PRO HB3 1 56 SER H 5.500 . 6.000 3.326 3.246 4.048 . 0 0 "[ . 1 . 2]" 1
482 1 40 TRP HA 1 41 TRP H 2.700 . 3.000 2.217 2.127 2.441 . 0 0 "[ . 1 . 2]" 1
483 1 33 LEU H 1 33 LEU HG 3.500 . 3.800 3.373 2.961 3.856 0.056 17 0 "[ . 1 . 2]" 1
484 1 38 ILE HB 1 39 HIS HD2 5.500 . 6.000 4.018 2.645 5.985 . 0 0 "[ . 1 . 2]" 1
485 1 42 ARG HG2 1 52 TYR HA 5.500 . 6.000 4.150 3.322 5.254 . 0 0 "[ . 1 . 2]" 1
486 1 33 LEU HA 1 33 LEU MD1 3.800 . 4.100 3.377 2.980 3.786 . 0 0 "[ . 1 . 2]" 1
487 1 34 ASP H 1 34 ASP QB 3.500 . 3.800 2.435 2.335 2.679 . 0 0 "[ . 1 . 2]" 1
488 1 11 LEU MD2 1 57 TYR HA 6.000 2.300 6.500 5.532 5.331 5.749 . 0 0 "[ . 1 . 2]" 1
489 1 35 SER HB3 1 41 TRP HE1 4.700 . 5.000 5.139 5.033 5.248 0.248 17 0 "[ . 1 . 2]" 1
490 1 6 THR H 1 7 LEU MD1 6.200 2.500 6.700 5.358 3.927 6.528 . 0 0 "[ . 1 . 2]" 1
491 1 30 TYR QD 1 33 LEU MD1 5.200 . 5.500 5.661 5.499 5.852 0.352 6 0 "[ . 1 . 2]" 1
492 1 13 ASP HB2 1 14 TYR H 4.700 . 5.000 4.389 3.948 4.580 . 0 0 "[ . 1 . 2]" 1
493 1 44 GLN HA 1 44 GLN HG2 3.300 . 3.600 3.304 3.156 3.646 0.046 20 0 "[ . 1 . 2]" 1
494 1 7 LEU HA 1 7 LEU MD1 6.000 2.300 6.500 3.669 3.407 3.937 . 0 0 "[ . 1 . 2]" 1
495 1 11 LEU HB2 1 12 TYR QE 4.700 . 5.000 3.459 3.228 3.676 . 0 0 "[ . 1 . 2]" 1
496 1 28 GLU QG 1 30 TYR QE 2.500 . 2.800 2.366 2.172 2.676 . 0 0 "[ . 1 . 2]" 1
497 1 24 LEU HB3 1 25 ARG H 5.500 . 6.000 2.935 2.570 3.315 . 0 0 "[ . 1 . 2]" 1
498 1 46 LYS HB3 1 46 LYS QD 3.300 . 3.600 2.902 2.363 3.320 . 0 0 "[ . 1 . 2]" 1
499 1 20 GLN HA 1 52 TYR QD 5.500 . 6.000 4.109 3.363 5.172 . 0 0 "[ . 1 . 2]" 1
500 1 15 GLN HA 1 16 THR H 2.700 . 3.000 2.315 2.145 2.782 . 0 0 "[ . 1 . 2]" 1
501 1 30 TYR QD 1 58 LEU MD2 5.200 . 5.500 5.036 4.728 5.251 . 0 0 "[ . 1 . 2]" 1
502 1 54 PRO HB3 1 57 TYR QD 4.700 . 5.000 2.608 2.384 3.699 . 0 0 "[ . 1 . 2]" 1
503 1 39 HIS HB2 1 40 TRP HD1 4.700 . 5.000 2.843 2.294 3.141 . 0 0 "[ . 1 . 2]" 1
504 1 47 ASN HB2 1 49 HIS HD2 4.700 . 5.000 3.389 2.332 4.729 . 0 0 "[ . 1 . 2]" 1
505 1 47 ASN H 1 47 ASN HB2 3.500 . 3.800 2.377 2.346 2.435 . 0 0 "[ . 1 . 2]" 1
506 1 22 LEU MD2 1 45 ASP H 4.000 . 4.300 2.728 2.299 3.175 . 0 0 "[ . 1 . 2]" 1
507 1 42 ARG HB2 1 42 ARG HG3 2.500 . 2.800 2.486 2.448 2.516 . 0 0 "[ . 1 . 2]" 1
508 1 11 LEU HB3 1 12 TYR QE 4.700 . 5.000 3.242 2.979 3.460 . 0 0 "[ . 1 . 2]" 1
509 1 22 LEU MD1 1 49 HIS H 4.000 . 4.300 3.978 3.808 4.315 0.015 11 0 "[ . 1 . 2]" 1
510 1 57 TYR HB3 1 57 TYR QE 4.700 . 5.000 4.426 4.424 4.428 . 0 0 "[ . 1 . 2]" 1
511 1 20 GLN HB2 1 20 GLN QG 2.500 . 2.800 2.323 2.195 2.387 . 0 0 "[ . 1 . 2]" 1
512 1 30 TYR QD 1 45 ASP HA 3.300 . 3.600 2.548 2.311 3.266 . 0 0 "[ . 1 . 2]" 1
513 1 6 THR HA 1 7 LEU HG 5.500 . 6.000 3.592 3.160 4.189 . 0 0 "[ . 1 . 2]" 1
514 1 5 GLU HA 1 5 GLU HG2 3.300 . 3.600 2.569 2.376 2.717 . 0 0 "[ . 1 . 2]" 1
515 1 22 LEU MD2 1 45 ASP HB2 3.800 . 4.100 2.420 2.283 2.908 . 0 0 "[ . 1 . 2]" 1
516 1 10 ALA HA 1 11 LEU H 2.700 . 3.000 2.150 2.136 2.163 . 0 0 "[ . 1 . 2]" 1
517 1 32 LEU H 1 32 LEU MD2 5.400 . 5.700 4.247 3.912 4.335 . 0 0 "[ . 1 . 2]" 1
518 1 16 THR MG 1 21 GLU H 5.400 . 5.700 4.138 2.110 5.379 . 0 0 "[ . 1 . 2]" 1
519 1 11 LEU HG 1 12 TYR QE 5.500 . 6.000 5.454 5.289 5.629 . 0 0 "[ . 1 . 2]" 1
520 1 36 SER HB3 1 37 GLU H 4.700 . 5.000 3.513 2.493 4.490 . 0 0 "[ . 1 . 2]" 1
521 1 42 ARG HA 1 43 VAL H 2.700 . 3.000 2.167 2.147 2.196 . 0 0 "[ . 1 . 2]" 1
522 1 12 TYR HA 1 13 ASP H 2.700 . 3.000 2.296 2.245 2.384 . 0 0 "[ . 1 . 2]" 1
523 1 32 LEU HG 1 35 SER HB3 3.300 . 3.600 3.061 2.381 3.972 0.372 18 0 "[ . 1 . 2]" 1
524 1 45 ASP H 1 49 HIS H 3.500 . 3.800 3.073 2.945 3.210 . 0 0 "[ . 1 . 2]" 1
525 1 12 TYR QE 1 57 TYR QD 5.500 . 6.000 4.308 4.159 4.430 . 0 0 "[ . 1 . 2]" 1
526 1 31 TYR QD 1 46 LYS HA 5.500 . 6.000 4.253 4.031 4.699 . 0 0 "[ . 1 . 2]" 1
527 1 41 TRP HE1 1 55 SER HB2 5.500 . 6.000 4.843 4.235 5.259 . 0 0 "[ . 1 . 2]" 1
528 1 14 TYR QE 1 16 THR MG 5.200 . 5.500 4.349 2.982 5.560 0.060 4 0 "[ . 1 . 2]" 1
529 1 45 ASP H 1 49 HIS HB3 5.500 . 6.000 4.528 4.124 4.858 . 0 0 "[ . 1 . 2]" 1
530 1 30 TYR QD 1 45 ASP HB2 4.700 . 5.000 2.761 2.449 3.098 . 0 0 "[ . 1 . 2]" 1
531 1 42 ARG HG2 1 52 TYR QE 5.500 . 6.000 3.681 2.348 6.003 0.003 12 0 "[ . 1 . 2]" 1
532 1 32 LEU HA 1 33 LEU H 2.700 . 3.000 2.135 2.114 2.153 . 0 0 "[ . 1 . 2]" 1
533 1 9 ILE HA 1 9 ILE HG12 3.300 . 3.600 2.525 2.471 2.650 . 0 0 "[ . 1 . 2]" 1
534 1 9 ILE H 1 9 ILE HG13 3.500 . 3.800 2.730 2.429 2.939 . 0 0 "[ . 1 . 2]" 1
535 1 43 VAL H 1 43 VAL MG1 4.000 . 4.300 2.925 2.581 3.117 . 0 0 "[ . 1 . 2]" 1
536 1 3 PRO HA 1 4 GLU H 3.500 . 3.800 2.736 2.382 3.118 . 0 0 "[ . 1 . 2]" 1
537 1 61 LYS HB3 1 61 LYS HD2 3.300 . 3.600 3.130 3.091 3.171 . 0 0 "[ . 1 . 2]" 1
538 1 20 GLN QG 1 52 TYR HB2 5.500 . 6.000 6.049 5.818 6.254 0.254 15 0 "[ . 1 . 2]" 1
539 1 44 GLN HG3 1 48 GLY HA2 4.700 . 5.000 3.710 3.399 5.014 0.014 8 0 "[ . 1 . 2]" 1
540 1 22 LEU HA 1 22 LEU MD1 3.000 . 3.300 2.149 2.084 2.239 . 0 0 "[ . 1 . 2]" 1
541 1 63 PRO HA 1 64 ASN H 2.700 . 3.000 2.261 2.222 2.303 . 0 0 "[ . 1 . 2]" 1
542 1 8 VAL H 1 8 VAL MG2 3.200 . 3.500 1.991 1.913 2.074 0.087 17 0 "[ . 1 . 2]" 1
543 1 62 SER HA 1 63 PRO HD3 2.500 . 2.800 2.466 2.192 2.863 0.063 13 0 "[ . 1 . 2]" 1
544 1 22 LEU MD2 1 50 GLU HA 3.800 . 4.100 2.644 2.281 3.288 . 0 0 "[ . 1 . 2]" 1
545 1 61 LYS H 1 61 LYS HB3 3.500 . 3.800 2.681 2.559 2.935 . 0 0 "[ . 1 . 2]" 1
546 1 8 VAL H 1 8 VAL HA 2.700 . 3.000 2.973 2.962 2.984 . 0 0 "[ . 1 . 2]" 1
547 1 31 TYR HB2 1 33 LEU MD1 5.200 . 5.500 3.879 3.104 5.041 . 0 0 "[ . 1 . 2]" 1
548 1 12 TYR HB2 1 12 TYR QE 4.700 . 5.000 4.436 4.426 4.451 . 0 0 "[ . 1 . 2]" 1
549 1 25 ARG HG3 1 28 GLU QB 3.300 . 3.600 2.408 2.272 2.849 . 0 0 "[ . 1 . 2]" 1
550 1 33 LEU MD2 1 44 GLN H 5.400 . 5.700 4.749 4.472 5.084 . 0 0 "[ . 1 . 2]" 1
551 1 32 LEU H 1 32 LEU HB3 3.500 . 3.800 2.655 2.361 2.949 . 0 0 "[ . 1 . 2]" 1
552 1 41 TRP HB3 1 55 SER HA 5.500 . 6.000 4.340 3.935 4.686 . 0 0 "[ . 1 . 2]" 1
553 1 40 TRP HZ3 1 54 PRO HG3 4.700 . 5.000 2.394 2.324 3.231 . 0 0 "[ . 1 . 2]" 1
554 1 25 ARG HA 1 25 ARG HG2 3.300 . 3.600 3.071 2.805 3.653 0.053 4 0 "[ . 1 . 2]" 1
555 1 22 LEU MD1 1 49 HIS HB2 3.800 . 4.100 2.262 2.232 2.319 . 0 0 "[ . 1 . 2]" 1
556 1 8 VAL MG2 1 41 TRP HZ3 3.800 . 4.100 4.220 4.144 4.312 0.212 17 0 "[ . 1 . 2]" 1
557 1 31 TYR QD 1 33 LEU MD1 6.000 2.300 6.500 4.720 4.274 5.878 . 0 0 "[ . 1 . 2]" 1
558 1 33 LEU HB3 1 34 ASP H 4.700 . 5.000 3.105 2.889 3.386 . 0 0 "[ . 1 . 2]" 1
559 1 38 ILE H 1 38 ILE HA 2.700 . 3.000 2.837 2.800 2.926 . 0 0 "[ . 1 . 2]" 1
560 1 43 VAL HB 1 44 GLN H 2.700 . 3.000 2.558 2.507 2.631 . 0 0 "[ . 1 . 2]" 1
561 1 29 GLU H 1 29 GLU HG2 4.700 . 5.000 2.321 2.170 2.553 . 0 0 "[ . 1 . 2]" 1
562 1 61 LYS HE3 1 61 LYS QG 2.500 . 2.800 2.378 2.316 2.398 . 0 0 "[ . 1 . 2]" 1
563 1 8 VAL MG1 1 32 LEU MD1 3.800 . 4.100 2.262 1.925 2.529 . 0 0 "[ . 1 . 2]" 1
564 1 6 THR MG 1 32 LEU HB3 3.800 . 4.100 2.322 2.232 2.873 . 0 0 "[ . 1 . 2]" 1
565 1 12 TYR QD 1 57 TYR HA 4.700 . 5.000 3.473 2.908 3.924 . 0 0 "[ . 1 . 2]" 1
566 1 14 TYR QB 1 53 ALA MB 6.000 2.300 6.500 4.837 4.475 5.319 . 0 0 "[ . 1 . 2]" 1
567 1 34 ASP H 1 42 ARG HB3 4.700 . 5.000 2.863 1.772 3.684 0.028 11 0 "[ . 1 . 2]" 1
568 1 26 CYS HA 1 27 ASP H 2.700 . 3.000 2.142 2.116 2.266 . 0 0 "[ . 1 . 2]" 1
569 1 5 GLU QB 1 5 GLU HG3 2.500 . 2.800 2.329 2.271 2.364 . 0 0 "[ . 1 . 2]" 1
570 1 6 THR MG 1 61 LYS HB2 6.000 2.300 6.500 5.032 4.737 5.643 . 0 0 "[ . 1 . 2]" 1
571 1 47 ASN H 1 47 ASN HB3 3.500 . 3.800 3.608 3.581 3.632 . 0 0 "[ . 1 . 2]" 1
572 1 24 LEU HA 1 25 ARG H 3.500 . 3.800 2.234 2.137 2.391 . 0 0 "[ . 1 . 2]" 1
573 1 46 LYS HA 1 46 LYS QD 3.300 . 3.600 2.873 2.155 3.938 0.338 14 0 "[ . 1 . 2]" 1
574 1 30 TYR HB2 1 31 TYR H 4.700 . 5.000 3.526 3.371 3.795 . 0 0 "[ . 1 . 2]" 1
575 1 22 LEU MD1 1 50 GLU H 6.200 2.500 6.700 3.071 2.898 3.235 . 0 0 "[ . 1 . 2]" 1
576 1 31 TYR HB3 1 44 GLN HB2 5.500 . 6.000 4.582 4.064 5.920 . 0 0 "[ . 1 . 2]" 1
577 1 12 TYR H 1 12 TYR QD 4.700 . 5.000 2.941 2.606 3.246 . 0 0 "[ . 1 . 2]" 1
578 1 61 LYS HB3 1 62 SER H 5.500 . 6.000 2.870 2.403 3.743 . 0 0 "[ . 1 . 2]" 1
579 1 18 ASP HB2 1 21 GLU H 5.500 . 6.000 3.733 2.527 6.177 0.177 9 0 "[ . 1 . 2]" 1
580 1 30 TYR QE 1 45 ASP HA 5.500 . 6.000 3.688 3.200 4.110 . 0 0 "[ . 1 . 2]" 1
581 1 50 GLU HA 1 51 GLY H 2.700 . 3.000 2.289 2.233 2.349 . 0 0 "[ . 1 . 2]" 1
582 1 41 TRP HA 1 41 TRP HD1 3.300 . 3.600 2.187 2.043 2.267 . 0 0 "[ . 1 . 2]" 1
583 1 39 HIS HB3 1 40 TRP H 5.500 . 6.000 3.568 3.106 3.804 . 0 0 "[ . 1 . 2]" 1
584 1 20 GLN H 1 20 GLN HB3 3.500 . 3.800 3.621 3.568 3.840 0.040 9 0 "[ . 1 . 2]" 1
585 1 9 ILE H 1 59 VAL H 3.500 . 3.800 2.438 2.348 2.527 . 0 0 "[ . 1 . 2]" 1
586 1 61 LYS HB3 1 61 LYS QG 2.500 . 2.800 2.335 2.330 2.344 . 0 0 "[ . 1 . 2]" 1
587 1 36 SER H 1 37 GLU H 2.700 . 3.000 2.677 1.757 3.275 0.275 4 0 "[ . 1 . 2]" 1
588 1 10 ALA HA 1 58 LEU HA 3.300 . 3.600 2.941 2.835 3.098 . 0 0 "[ . 1 . 2]" 1
589 1 14 TYR H 1 24 LEU HB3 3.500 . 3.800 3.803 3.621 3.917 0.117 8 0 "[ . 1 . 2]" 1
590 1 14 TYR QB 1 24 LEU HB2 5.500 . 6.000 2.340 2.261 2.578 . 0 0 "[ . 1 . 2]" 1
591 1 28 GLU HA 1 28 GLU QB 2.500 . 2.800 2.317 2.181 2.339 . 0 0 "[ . 1 . 2]" 1
592 1 44 GLN H 1 44 GLN HG2 5.500 . 6.000 4.158 2.416 4.426 . 0 0 "[ . 1 . 2]" 1
593 1 33 LEU HA 1 34 ASP H 5.500 . 6.000 3.561 3.539 3.580 . 0 0 "[ . 1 . 2]" 1
594 1 7 LEU HG 1 31 TYR QD 5.500 . 6.000 3.972 2.992 5.123 . 0 0 "[ . 1 . 2]" 1
595 1 12 TYR HA 1 12 TYR QD 3.300 . 3.600 2.667 2.468 2.855 . 0 0 "[ . 1 . 2]" 1
596 1 38 ILE HA 1 38 ILE MD 3.000 . 3.300 2.994 2.069 3.766 0.466 11 0 "[ . 1 . 2]" 1
597 1 14 TYR QD 1 24 LEU MD2 6.000 2.300 6.500 4.447 4.206 4.945 . 0 0 "[ . 1 . 2]" 1
598 1 26 CYS H 1 26 CYS HA 2.700 . 3.000 2.817 2.638 2.850 . 0 0 "[ . 1 . 2]" 1
599 1 59 VAL MG1 1 60 GLU H 3.200 . 3.500 2.881 1.931 3.619 0.119 10 0 "[ . 1 . 2]" 1
600 1 23 ALA MB 1 24 LEU H 3.200 . 3.500 3.153 2.947 3.505 0.005 6 0 "[ . 1 . 2]" 1
601 1 14 TYR QD 1 23 ALA HA 4.700 . 5.000 4.091 3.534 4.449 . 0 0 "[ . 1 . 2]" 1
602 1 18 ASP HA 1 19 PRO HD2 2.500 . 2.800 2.427 2.271 2.572 . 0 0 "[ . 1 . 2]" 1
603 1 36 SER H 1 36 SER HB3 3.500 . 3.800 3.247 2.325 3.948 0.148 8 0 "[ . 1 . 2]" 1
604 1 39 HIS HB2 1 40 TRP H 5.500 . 6.000 2.192 1.723 2.496 0.077 18 0 "[ . 1 . 2]" 1
605 1 30 TYR QD 1 46 LYS H 5.500 . 6.000 4.687 4.401 5.340 . 0 0 "[ . 1 . 2]" 1
606 1 23 ALA MB 1 24 LEU HG 6.000 2.300 6.500 4.644 4.495 4.890 . 0 0 "[ . 1 . 2]" 1
607 1 24 LEU H 1 24 LEU HG 5.500 . 6.000 2.341 2.042 2.584 . 0 0 "[ . 1 . 2]" 1
608 1 57 TYR HB2 1 58 LEU HG 4.700 . 5.000 4.274 4.227 4.339 . 0 0 "[ . 1 . 2]" 1
609 1 12 TYR H 1 12 TYR HB2 3.500 . 3.800 2.661 2.582 2.894 . 0 0 "[ . 1 . 2]" 1
610 1 40 TRP HZ3 1 54 PRO HD2 4.700 . 5.000 4.142 3.938 4.363 . 0 0 "[ . 1 . 2]" 1
611 1 33 LEU HB2 1 34 ASP H 3.500 . 3.800 2.152 1.946 2.458 . 0 0 "[ . 1 . 2]" 1
612 1 38 ILE H 1 38 ILE HB 3.500 . 3.800 2.651 2.282 3.741 . 0 0 "[ . 1 . 2]" 1
613 1 25 ARG QD 1 25 ARG HG2 2.500 . 2.800 2.332 2.191 2.422 . 0 0 "[ . 1 . 2]" 1
614 1 37 GLU H 1 37 GLU HA 2.700 . 3.000 2.596 2.281 2.864 . 0 0 "[ . 1 . 2]" 1
615 1 47 ASN HA 1 48 GLY H 3.500 . 3.800 3.317 3.242 3.346 . 0 0 "[ . 1 . 2]" 1
616 1 42 ARG HB2 1 42 ARG QD 3.300 . 3.600 2.361 2.310 2.433 . 0 0 "[ . 1 . 2]" 1
617 1 35 SER HA 1 41 TRP HD1 3.300 . 3.600 3.561 3.445 3.678 0.078 18 0 "[ . 1 . 2]" 1
618 1 24 LEU MD2 1 30 TYR QE 5.200 . 5.500 2.851 2.532 3.134 . 0 0 "[ . 1 . 2]" 1
619 1 48 GLY HA3 1 50 GLU QG 5.500 . 6.000 6.023 5.955 6.065 0.065 6 0 "[ . 1 . 2]" 1
620 1 42 ARG HA 1 52 TYR QD 5.500 . 6.000 3.234 2.834 3.602 . 0 0 "[ . 1 . 2]" 1
621 1 9 ILE H 1 9 ILE MD 5.400 . 5.700 4.048 3.919 4.135 . 0 0 "[ . 1 . 2]" 1
622 1 37 GLU HA 1 37 GLU HG2 3.300 . 3.600 3.009 2.419 3.683 0.083 16 0 "[ . 1 . 2]" 1
623 1 11 LEU MD2 1 58 LEU HA 5.200 . 5.500 3.981 3.887 4.146 . 0 0 "[ . 1 . 2]" 1
624 1 58 LEU HA 1 59 VAL H 2.700 . 3.000 2.481 2.444 2.502 . 0 0 "[ . 1 . 2]" 1
625 1 9 ILE HB 1 10 ALA H 5.500 . 6.000 4.120 4.058 4.218 . 0 0 "[ . 1 . 2]" 1
626 1 29 GLU QB 1 30 TYR QD 5.500 . 6.000 4.213 4.093 4.390 . 0 0 "[ . 1 . 2]" 1
627 1 11 LEU HB3 1 11 LEU MD1 3.000 . 3.300 2.430 2.404 2.469 . 0 0 "[ . 1 . 2]" 1
628 1 28 GLU HA 1 29 GLU H 2.700 . 3.000 2.393 2.337 2.533 . 0 0 "[ . 1 . 2]" 1
629 1 43 VAL HB 1 44 GLN HA 5.500 . 6.000 4.360 4.238 4.644 . 0 0 "[ . 1 . 2]" 1
630 1 9 ILE H 1 9 ILE MG 4.000 . 4.300 3.881 3.829 3.914 . 0 0 "[ . 1 . 2]" 1
631 1 33 LEU HG 1 44 GLN H 5.500 . 6.000 4.787 3.763 5.209 . 0 0 "[ . 1 . 2]" 1
632 1 59 VAL HA 1 60 GLU H 2.700 . 3.000 2.309 2.167 2.327 . 0 0 "[ . 1 . 2]" 1
633 1 60 GLU QB 1 60 GLU HG2 2.500 . 2.800 2.343 2.314 2.381 . 0 0 "[ . 1 . 2]" 1
634 1 9 ILE MD 1 61 LYS QG 3.800 . 4.100 2.802 2.351 4.047 . 0 0 "[ . 1 . 2]" 1
635 1 57 TYR HB2 1 58 LEU MD2 6.000 2.300 6.500 4.208 4.130 4.248 . 0 0 "[ . 1 . 2]" 1
636 1 44 GLN HA 1 45 ASP HA 5.500 . 6.000 4.379 4.355 4.395 . 0 0 "[ . 1 . 2]" 1
637 1 42 ARG H 1 42 ARG HB2 3.500 . 3.800 2.406 2.276 2.567 . 0 0 "[ . 1 . 2]" 1
638 1 42 ARG H 1 42 ARG HG3 4.700 . 5.000 3.310 2.631 4.441 . 0 0 "[ . 1 . 2]" 1
639 1 54 PRO HA 1 55 SER H 2.700 . 3.000 2.170 2.152 2.185 . 0 0 "[ . 1 . 2]" 1
640 1 41 TRP HB3 1 42 ARG H 3.500 . 3.800 3.548 3.265 3.713 . 0 0 "[ . 1 . 2]" 1
641 1 42 ARG H 1 42 ARG QD 5.500 . 6.000 4.100 3.793 4.462 . 0 0 "[ . 1 . 2]" 1
642 1 4 GLU HB2 1 5 GLU HG3 2.500 . 2.800 2.866 2.594 3.015 0.215 17 0 "[ . 1 . 2]" 1
643 1 55 SER HA 1 58 LEU H 5.500 . 6.000 4.106 4.011 4.373 . 0 0 "[ . 1 . 2]" 1
644 1 34 ASP QB 1 42 ARG QD 3.300 . 3.600 2.479 2.039 3.330 . 0 0 "[ . 1 . 2]" 1
645 1 11 LEU H 1 11 LEU HB2 3.500 . 3.800 2.401 2.384 2.419 . 0 0 "[ . 1 . 2]" 1
646 1 14 TYR HA 1 15 GLN H 3.500 . 3.800 2.184 2.145 2.231 . 0 0 "[ . 1 . 2]" 1
647 1 46 LYS HA 1 46 LYS HB3 2.500 . 2.800 2.439 2.327 2.585 . 0 0 "[ . 1 . 2]" 1
648 1 25 ARG QD 1 25 ARG HG3 2.500 . 2.800 2.308 2.189 2.390 . 0 0 "[ . 1 . 2]" 1
649 1 7 LEU HB3 1 8 VAL H 4.700 . 5.000 2.676 2.508 2.848 . 0 0 "[ . 1 . 2]" 1
650 1 24 LEU MD1 1 54 PRO HD2 3.800 . 4.100 2.424 2.236 2.632 . 0 0 "[ . 1 . 2]" 1
651 1 14 TYR QD 1 24 LEU H 4.700 . 5.000 3.633 3.147 4.158 . 0 0 "[ . 1 . 2]" 1
652 1 33 LEU H 1 34 ASP H 2.700 . 3.000 2.488 2.359 2.615 . 0 0 "[ . 1 . 2]" 1
653 1 10 ALA MB 1 28 GLU QG 3.800 . 4.100 4.287 3.770 4.402 0.302 12 0 "[ . 1 . 2]" 1
654 1 24 LEU MD2 1 24 LEU HG 6.000 2.300 6.500 2.160 2.155 2.168 0.145 6 0 "[ . 1 . 2]" 1
655 1 27 ASP HB3 1 28 GLU H 5.500 . 6.000 3.452 3.053 4.261 . 0 0 "[ . 1 . 2]" 1
656 1 37 GLU H 1 37 GLU QB 3.500 . 3.800 2.582 2.173 3.031 . 0 0 "[ . 1 . 2]" 1
657 1 11 LEU HB2 1 12 TYR H 5.500 . 6.000 2.605 2.574 2.632 . 0 0 "[ . 1 . 2]" 1
658 1 8 VAL MG2 1 41 TRP HH2 6.000 2.300 6.500 6.213 6.154 6.294 . 0 0 "[ . 1 . 2]" 1
659 1 11 LEU MD1 1 12 TYR QE 5.200 . 5.500 3.277 3.089 3.452 . 0 0 "[ . 1 . 2]" 1
660 1 41 TRP HB3 1 43 VAL MG1 3.800 . 4.100 2.974 2.743 3.095 . 0 0 "[ . 1 . 2]" 1
661 1 44 GLN HB2 1 45 ASP H 5.500 . 6.000 3.994 3.075 4.221 . 0 0 "[ . 1 . 2]" 1
662 1 30 TYR HA 1 31 TYR HB2 5.500 . 6.000 4.283 4.191 4.422 . 0 0 "[ . 1 . 2]" 1
663 1 32 LEU MD1 1 35 SER HB2 3.800 . 4.100 3.507 1.971 4.244 0.144 17 0 "[ . 1 . 2]" 1
664 1 32 LEU HB3 1 33 LEU MD1 6.000 2.300 6.500 5.268 4.840 6.648 0.148 7 0 "[ . 1 . 2]" 1
665 1 29 GLU QB 1 29 GLU HG3 2.500 . 2.800 2.431 2.414 2.445 . 0 0 "[ . 1 . 2]" 1
666 1 31 TYR QD 1 44 GLN HG3 5.500 . 6.000 5.917 4.193 6.172 0.172 17 0 "[ . 1 . 2]" 1
667 1 16 THR MG 1 18 ASP H 6.200 2.500 6.700 2.538 2.260 2.920 0.240 11 0 "[ . 1 . 2]" 1
668 1 48 GLY HA2 1 49 HIS H 4.700 . 5.000 3.099 3.015 3.149 . 0 0 "[ . 1 . 2]" 1
669 1 55 SER HA 1 58 LEU HB3 5.500 . 6.000 4.716 4.634 4.903 . 0 0 "[ . 1 . 2]" 1
670 1 20 GLN H 1 20 GLN HB2 3.500 . 3.800 2.414 2.296 2.770 . 0 0 "[ . 1 . 2]" 1
671 1 39 HIS HB3 1 40 TRP HE1 4.700 . 5.000 4.381 3.911 5.254 0.254 4 0 "[ . 1 . 2]" 1
672 1 47 ASN H 1 48 GLY H 2.700 . 3.000 2.402 2.325 2.746 . 0 0 "[ . 1 . 2]" 1
673 1 22 LEU MD2 1 30 TYR QE 3.000 . 3.300 2.511 2.067 2.802 . 0 0 "[ . 1 . 2]" 1
674 1 11 LEU HB3 1 57 TYR HA 4.700 . 5.000 4.918 4.802 5.010 0.010 9 0 "[ . 1 . 2]" 1
675 1 27 ASP H 1 27 ASP HA 2.700 . 3.000 2.337 2.323 2.352 . 0 0 "[ . 1 . 2]" 1
676 1 18 ASP HB3 1 21 GLU H 5.500 . 6.000 4.078 2.797 5.876 . 0 0 "[ . 1 . 2]" 1
677 1 36 SER HB2 1 37 GLU H 5.500 . 6.000 3.537 2.554 4.651 . 0 0 "[ . 1 . 2]" 1
678 1 14 TYR QB 1 54 PRO HB3 5.500 . 6.000 6.069 5.961 6.147 0.147 20 0 "[ . 1 . 2]" 1
679 1 32 LEU HG 1 33 LEU H 2.700 . 3.000 2.901 2.738 3.063 0.063 6 0 "[ . 1 . 2]" 1
680 1 24 LEU MD1 1 57 TYR H 6.200 2.500 6.700 5.373 5.069 5.580 . 0 0 "[ . 1 . 2]" 1
681 1 34 ASP H 1 35 SER HB3 5.500 . 6.000 5.282 5.071 5.496 . 0 0 "[ . 1 . 2]" 1
682 1 61 LYS HB2 1 61 LYS HD3 2.500 . 2.800 2.951 2.912 2.991 0.191 8 0 "[ . 1 . 2]" 1
683 1 57 TYR H 1 58 LEU H 2.700 . 3.000 2.808 2.724 2.913 . 0 0 "[ . 1 . 2]" 1
684 1 57 TYR HB3 1 58 LEU MD2 6.000 2.300 6.500 5.151 5.082 5.213 . 0 0 "[ . 1 . 2]" 1
685 1 53 ALA HA 1 54 PRO HD3 2.500 . 2.800 2.211 2.110 2.276 . 0 0 "[ . 1 . 2]" 1
686 1 56 SER H 1 57 TYR H 2.700 . 3.000 2.421 2.363 2.542 . 0 0 "[ . 1 . 2]" 1
687 1 58 LEU HA 1 59 VAL MG2 5.200 . 5.500 3.267 2.996 3.392 . 0 0 "[ . 1 . 2]" 1
688 1 19 PRO HA 1 19 PRO HB2 2.500 . 2.800 2.857 2.731 2.986 0.186 8 0 "[ . 1 . 2]" 1
689 1 30 TYR QD 1 43 VAL HB 4.700 . 5.000 3.578 3.289 3.798 . 0 0 "[ . 1 . 2]" 1
690 1 15 GLN HB2 1 15 GLN QG 2.500 . 2.800 2.365 2.187 2.475 . 0 0 "[ . 1 . 2]" 1
691 1 61 LYS HA 1 61 LYS HD3 5.500 . 6.000 4.583 4.536 4.611 . 0 0 "[ . 1 . 2]" 1
692 1 25 ARG HA 1 26 CYS H 2.700 . 3.000 2.212 2.190 2.228 . 0 0 "[ . 1 . 2]" 1
693 1 15 GLN HA 1 23 ALA MB 3.800 . 4.100 3.201 2.834 3.574 . 0 0 "[ . 1 . 2]" 1
694 1 55 SER HA 1 55 SER HB3 2.500 . 2.800 2.506 2.327 2.998 0.198 12 0 "[ . 1 . 2]" 1
695 1 15 GLN HA 1 23 ALA HA 2.500 . 2.800 2.735 2.337 2.865 0.065 14 0 "[ . 1 . 2]" 1
696 1 25 ARG H 1 25 ARG HG2 4.700 . 5.000 2.662 2.042 2.915 . 0 0 "[ . 1 . 2]" 1
697 1 25 ARG H 1 25 ARG HA 2.700 . 3.000 2.966 2.957 2.976 . 0 0 "[ . 1 . 2]" 1
698 1 37 GLU QB 1 38 ILE H 4.700 . 5.000 3.493 1.830 4.046 . 0 0 "[ . 1 . 2]" 1
699 1 53 ALA MB 1 54 PRO HD2 3.000 . 3.300 3.018 2.500 3.217 . 0 0 "[ . 1 . 2]" 1
700 1 54 PRO HA 1 55 SER HA 5.500 . 6.000 4.471 4.451 4.483 . 0 0 "[ . 1 . 2]" 1
701 1 44 GLN HA 1 50 GLU HB2 4.700 . 5.000 4.103 3.506 4.996 . 0 0 "[ . 1 . 2]" 1
702 1 31 TYR H 1 31 TYR HB3 3.500 . 3.800 3.369 3.257 3.510 . 0 0 "[ . 1 . 2]" 1
703 1 9 ILE HG12 1 61 LYS HA 5.500 . 6.000 5.595 4.802 6.052 0.052 13 0 "[ . 1 . 2]" 1
704 1 52 TYR HA 1 53 ALA MB 6.000 2.300 6.500 3.914 3.874 3.938 . 0 0 "[ . 1 . 2]" 1
705 1 56 SER HA 1 58 LEU H 5.500 . 6.000 3.505 3.461 3.547 . 0 0 "[ . 1 . 2]" 1
706 1 44 GLN HG2 1 45 ASP H 5.500 . 6.000 3.225 2.941 4.491 . 0 0 "[ . 1 . 2]" 1
707 1 30 TYR HB2 1 43 VAL HB 3.300 . 3.600 2.807 2.383 3.278 . 0 0 "[ . 1 . 2]" 1
708 1 59 VAL HA 1 59 VAL HB 2.500 . 2.800 2.742 2.509 3.009 0.209 4 0 "[ . 1 . 2]" 1
709 1 42 ARG HA 1 42 ARG HG2 3.300 . 3.600 2.580 2.352 2.934 . 0 0 "[ . 1 . 2]" 1
710 1 33 LEU H 1 33 LEU HB2 3.500 . 3.800 2.476 2.255 2.617 . 0 0 "[ . 1 . 2]" 1
711 1 7 LEU HB3 1 7 LEU HG 2.500 . 2.800 2.854 2.705 3.019 0.219 6 0 "[ . 1 . 2]" 1
712 1 9 ILE HG13 1 61 LYS HA 5.500 . 6.000 4.213 3.524 4.811 . 0 0 "[ . 1 . 2]" 1
713 1 33 LEU MD1 1 44 GLN HA 3.800 . 4.100 3.516 3.381 3.838 . 0 0 "[ . 1 . 2]" 1
714 1 48 GLY H 1 49 HIS H 2.700 . 3.000 2.271 2.227 2.340 . 0 0 "[ . 1 . 2]" 1
715 1 12 TYR QD 1 13 ASP H 5.500 . 6.000 3.805 3.730 4.079 . 0 0 "[ . 1 . 2]" 1
716 1 33 LEU HB3 1 42 ARG HB3 4.700 . 5.000 3.825 3.005 4.479 . 0 0 "[ . 1 . 2]" 1
717 1 32 LEU HA 1 32 LEU MD2 3.800 . 4.100 3.694 3.376 3.808 . 0 0 "[ . 1 . 2]" 1
718 1 7 LEU MD2 1 8 VAL H 4.000 . 4.300 4.044 3.851 4.238 . 0 0 "[ . 1 . 2]" 1
719 1 34 ASP H 1 42 ARG H 3.500 . 3.800 3.087 2.654 3.413 . 0 0 "[ . 1 . 2]" 1
720 1 31 TYR QE 1 46 LYS HA 4.700 . 5.000 5.177 5.022 5.252 0.252 11 0 "[ . 1 . 2]" 1
721 1 20 GLN HB2 1 21 GLU H 5.500 . 6.000 2.939 2.278 4.415 . 0 0 "[ . 1 . 2]" 1
722 1 63 PRO HD3 1 63 PRO QG 2.500 . 2.800 2.230 2.183 2.258 . 0 0 "[ . 1 . 2]" 1
723 1 21 GLU HA 1 51 GLY HA3 5.500 . 6.000 3.277 2.802 4.105 . 0 0 "[ . 1 . 2]" 1
724 1 27 ASP H 1 28 GLU H 2.700 . 3.000 2.857 2.719 2.910 . 0 0 "[ . 1 . 2]" 1
725 1 18 ASP HA 1 18 ASP HB2 2.500 . 2.800 2.854 2.405 2.994 0.194 8 0 "[ . 1 . 2]" 1
726 1 8 VAL MG1 1 60 GLU HG3 3.800 . 4.100 3.701 2.757 4.311 0.211 13 0 "[ . 1 . 2]" 1
727 1 13 ASP HA 1 25 ARG HA 2.500 . 2.800 2.781 2.553 2.863 0.063 15 0 "[ . 1 . 2]" 1
728 1 21 GLU HA 1 52 TYR H 2.700 . 3.000 2.683 2.044 3.135 0.135 8 0 "[ . 1 . 2]" 1
729 1 14 TYR QE 1 16 THR HB 4.700 . 5.000 4.013 2.858 5.168 0.168 9 0 "[ . 1 . 2]" 1
730 1 11 LEU HA 1 11 LEU MD1 6.000 2.300 6.500 3.808 3.800 3.816 . 0 0 "[ . 1 . 2]" 1
731 1 14 TYR QD 1 24 LEU HB2 5.500 . 6.000 3.932 3.416 4.268 . 0 0 "[ . 1 . 2]" 1
732 1 46 LYS QG 1 47 ASN H 5.500 . 6.000 4.349 3.926 4.789 . 0 0 "[ . 1 . 2]" 1
733 1 32 LEU HG 1 35 SER HB2 3.300 . 3.600 3.769 3.560 3.878 0.278 7 0 "[ . 1 . 2]" 1
734 1 22 LEU H 1 53 ALA MB 5.400 . 5.700 4.214 3.554 5.902 0.202 9 0 "[ . 1 . 2]" 1
735 1 22 LEU HA 1 23 ALA H 2.700 . 3.000 2.276 2.143 3.344 0.344 11 0 "[ . 1 . 2]" 1
736 1 60 GLU H 1 60 GLU QB 3.500 . 3.800 2.339 2.287 2.456 . 0 0 "[ . 1 . 2]" 1
737 1 11 LEU H 1 11 LEU HG 3.500 . 3.800 2.248 2.201 2.300 . 0 0 "[ . 1 . 2]" 1
738 1 40 TRP HH2 1 54 PRO HA 4.700 . 5.000 4.669 4.526 4.975 . 0 0 "[ . 1 . 2]" 1
739 1 61 LYS HD3 1 61 LYS QG 2.500 . 2.800 2.367 2.357 2.384 . 0 0 "[ . 1 . 2]" 1
740 1 42 ARG HG2 1 42 ARG QH1 5.500 . 6.000 3.772 2.394 4.327 . 0 0 "[ . 1 . 2]" 1
741 1 15 GLN HA 1 24 LEU HG 4.700 . 5.000 4.984 4.777 5.123 0.123 1 0 "[ . 1 . 2]" 1
742 1 37 GLU HA 1 38 ILE H 2.700 . 3.000 2.627 2.167 3.341 0.341 19 0 "[ . 1 . 2]" 1
743 1 50 GLU H 1 50 GLU HB3 3.500 . 3.800 3.279 3.184 3.814 0.014 14 0 "[ . 1 . 2]" 1
744 1 8 VAL HB 1 9 ILE HG13 5.500 . 6.000 4.868 4.676 5.040 . 0 0 "[ . 1 . 2]" 1
745 1 12 TYR HA 1 12 TYR HB3 2.500 . 2.800 2.443 2.356 2.466 . 0 0 "[ . 1 . 2]" 1
746 1 9 ILE HA 1 30 TYR H 3.500 . 3.800 3.912 3.505 4.106 0.306 4 0 "[ . 1 . 2]" 1
747 1 57 TYR H 1 57 TYR QD 4.700 . 5.000 1.971 1.849 2.091 . 0 0 "[ . 1 . 2]" 1
748 1 31 TYR H 1 31 TYR QD 4.700 . 5.000 3.561 3.101 3.858 . 0 0 "[ . 1 . 2]" 1
749 1 26 CYS HA 1 26 CYS QB 2.500 . 2.800 2.306 2.178 2.429 . 0 0 "[ . 1 . 2]" 1
750 1 46 LYS HB3 1 48 GLY H 5.500 . 6.000 5.214 4.708 5.373 . 0 0 "[ . 1 . 2]" 1
751 1 15 GLN HB3 1 15 GLN QG 2.500 . 2.800 2.220 2.188 2.374 . 0 0 "[ . 1 . 2]" 1
752 1 28 GLU H 1 28 GLU QG 3.500 . 3.800 3.930 3.451 3.993 0.193 8 0 "[ . 1 . 2]" 1
753 1 38 ILE HB 1 39 HIS H 3.500 . 3.800 2.616 2.299 3.446 . 0 0 "[ . 1 . 2]" 1
754 1 9 ILE MG 1 29 GLU HA 3.800 . 4.100 3.587 3.183 3.914 . 0 0 "[ . 1 . 2]" 1
755 1 29 GLU HA 1 29 GLU HG2 3.300 . 3.600 3.644 3.612 3.677 0.077 15 0 "[ . 1 . 2]" 1
756 1 49 HIS H 1 49 HIS HB2 3.500 . 3.800 2.479 2.417 2.740 . 0 0 "[ . 1 . 2]" 1
757 1 19 PRO HB2 1 19 PRO HD2 3.300 . 3.600 3.690 3.150 4.021 0.421 4 0 "[ . 1 . 2]" 1
758 1 7 LEU HG 1 32 LEU H 5.500 . 6.000 3.983 3.172 5.285 . 0 0 "[ . 1 . 2]" 1
759 1 60 GLU H 1 60 GLU HG3 3.500 . 3.800 2.473 2.334 3.572 . 0 0 "[ . 1 . 2]" 1
760 1 43 VAL H 1 52 TYR HA 4.700 . 5.000 3.558 3.180 3.811 . 0 0 "[ . 1 . 2]" 1
761 1 32 LEU MD1 1 35 SER HB3 3.800 . 4.100 3.646 2.372 4.195 0.095 12 0 "[ . 1 . 2]" 1
762 1 22 LEU H 1 22 LEU HB3 3.500 . 3.800 2.803 2.577 3.609 . 0 0 "[ . 1 . 2]" 1
763 1 22 LEU MD1 1 50 GLU HA 3.800 . 4.100 2.790 2.659 2.997 . 0 0 "[ . 1 . 2]" 1
764 1 53 ALA MB 1 54 PRO HD3 3.800 . 4.100 3.718 3.545 3.805 . 0 0 "[ . 1 . 2]" 1
765 1 57 TYR HA 1 58 LEU MD2 6.000 2.300 6.500 5.618 5.560 5.663 . 0 0 "[ . 1 . 2]" 1
766 1 44 GLN HG3 1 45 ASP H 3.500 . 3.800 2.722 2.143 3.773 . 0 0 "[ . 1 . 2]" 1
767 1 25 ARG HG2 1 28 GLU QB 3.300 . 3.600 3.778 3.690 4.043 0.443 14 0 "[ . 1 . 2]" 1
768 1 22 LEU MD1 1 23 ALA H 3.200 . 3.500 2.813 2.391 3.568 0.068 8 0 "[ . 1 . 2]" 1
769 1 7 LEU MD1 1 7 LEU MD2 6.000 2.300 6.500 2.099 2.082 2.113 0.218 10 0 "[ . 1 . 2]" 1
770 1 8 VAL MG1 1 58 LEU HB3 5.200 . 5.500 5.114 4.919 5.280 . 0 0 "[ . 1 . 2]" 1
771 1 28 GLU QB 1 29 GLU H 3.500 . 3.800 3.273 2.400 3.381 . 0 0 "[ . 1 . 2]" 1
772 1 8 VAL HA 1 61 LYS HB3 5.500 . 6.000 4.098 3.645 5.282 . 0 0 "[ . 1 . 2]" 1
773 1 42 ARG HB3 1 42 ARG QD 3.300 . 3.600 2.429 2.345 2.938 . 0 0 "[ . 1 . 2]" 1
774 1 33 LEU HB2 1 43 VAL HA 5.500 . 6.000 4.050 3.216 4.550 . 0 0 "[ . 1 . 2]" 1
775 1 29 GLU HA 1 30 TYR H 2.700 . 3.000 2.364 2.245 2.434 . 0 0 "[ . 1 . 2]" 1
776 1 62 SER H 1 62 SER HB2 3.500 . 3.800 3.147 2.112 4.001 0.201 7 0 "[ . 1 . 2]" 1
777 1 22 LEU HB2 1 51 GLY HA3 4.700 . 5.000 2.236 2.152 2.301 . 0 0 "[ . 1 . 2]" 1
778 1 56 SER HA 1 56 SER HB2 2.500 . 2.800 2.673 2.347 2.996 0.196 5 0 "[ . 1 . 2]" 1
779 1 11 LEU HB2 1 11 LEU MD2 3.000 . 3.300 3.219 3.202 3.231 . 0 0 "[ . 1 . 2]" 1
780 1 24 LEU MD1 1 57 TYR QD 5.200 . 5.500 5.216 5.024 5.440 . 0 0 "[ . 1 . 2]" 1
781 1 16 THR H 1 16 THR MG 3.200 . 3.500 3.048 2.035 3.848 0.348 10 0 "[ . 1 . 2]" 1
782 1 3 PRO QD 1 3 PRO HG3 2.500 . 2.800 2.204 2.197 2.210 . 0 0 "[ . 1 . 2]" 1
783 1 25 ARG HA 1 25 ARG HG3 3.300 . 3.600 3.636 3.599 3.687 0.087 14 0 "[ . 1 . 2]" 1
784 1 7 LEU HA 1 8 VAL MG1 3.800 . 4.100 3.402 3.281 3.780 . 0 0 "[ . 1 . 2]" 1
785 1 22 LEU MD1 1 51 GLY HA3 6.000 2.300 6.500 3.294 2.799 3.724 . 0 0 "[ . 1 . 2]" 1
786 1 58 LEU HA 1 59 VAL MG1 6.000 2.300 6.500 4.340 3.408 5.436 . 0 0 "[ . 1 . 2]" 1
787 1 16 THR H 1 23 ALA MB 3.200 . 3.500 3.336 2.816 3.669 0.169 11 0 "[ . 1 . 2]" 1
788 1 54 PRO HG2 1 57 TYR HB2 5.500 . 6.000 3.463 2.202 3.641 . 0 0 "[ . 1 . 2]" 1
789 1 50 GLU HA 1 51 GLY HA3 5.500 . 6.000 4.336 4.312 4.363 . 0 0 "[ . 1 . 2]" 1
790 1 39 HIS HA 1 40 TRP H 5.500 . 6.000 3.562 3.540 3.575 . 0 0 "[ . 1 . 2]" 1
791 1 19 PRO HD2 1 19 PRO QG 2.500 . 2.800 2.198 2.168 2.226 . 0 0 "[ . 1 . 2]" 1
792 1 55 SER HA 1 56 SER H 5.500 . 6.000 3.341 3.326 3.355 . 0 0 "[ . 1 . 2]" 1
793 1 40 TRP HE3 1 54 PRO HG2 5.500 . 6.000 5.911 5.364 6.076 0.076 14 0 "[ . 1 . 2]" 1
794 1 32 LEU H 1 32 LEU HG 5.500 . 6.000 4.517 4.404 4.573 . 0 0 "[ . 1 . 2]" 1
795 1 39 HIS HB2 1 40 TRP HB3 5.500 . 6.000 4.969 4.791 5.165 . 0 0 "[ . 1 . 2]" 1
796 1 35 SER HA 1 36 SER HB2 5.500 . 6.000 5.437 4.282 6.237 0.237 15 0 "[ . 1 . 2]" 1
797 1 8 VAL H 1 9 ILE H 5.500 . 6.000 4.467 4.448 4.496 . 0 0 "[ . 1 . 2]" 1
798 1 40 TRP HH2 1 52 TYR HB3 5.500 . 6.000 5.999 5.550 6.263 0.263 12 0 "[ . 1 . 2]" 1
799 1 32 LEU HG 1 42 ARG H 5.500 . 6.000 4.859 4.554 5.050 . 0 0 "[ . 1 . 2]" 1
800 1 16 THR MG 1 23 ALA HA 5.500 . 6.000 4.800 2.969 6.141 0.141 8 0 "[ . 1 . 2]" 1
801 1 4 GLU HA 1 5 GLU HG3 5.500 . 6.000 4.796 4.348 5.169 . 0 0 "[ . 1 . 2]" 1
802 1 39 HIS HD2 1 40 TRP HB2 5.500 . 6.000 5.601 4.678 6.064 0.064 4 0 "[ . 1 . 2]" 1
803 1 40 TRP HB2 1 52 TYR HB2 5.500 . 6.000 5.133 4.151 5.677 . 0 0 "[ . 1 . 2]" 1
804 1 5 GLU HA 1 32 LEU HG 5.500 . 6.000 4.922 4.520 5.742 . 0 0 "[ . 1 . 2]" 1
805 1 12 TYR HA 1 12 TYR QE 5.500 . 6.000 4.537 4.480 4.612 . 0 0 "[ . 1 . 2]" 1
806 1 59 VAL HA 1 60 GLU QB 5.500 . 6.000 4.466 4.202 4.497 . 0 0 "[ . 1 . 2]" 1
807 1 41 TRP HH2 1 55 SER HA 5.500 . 6.000 6.032 5.754 6.099 0.099 19 0 "[ . 1 . 2]" 1
808 1 40 TRP HB3 1 52 TYR HB2 5.500 . 6.000 4.082 3.742 4.439 . 0 0 "[ . 1 . 2]" 1
809 1 16 THR MG 1 23 ALA MB 5.500 . 6.000 4.423 2.665 6.057 0.057 8 0 "[ . 1 . 2]" 1
810 1 5 GLU HA 1 35 SER HB2 5.500 . 6.000 6.089 5.938 6.240 0.240 7 0 "[ . 1 . 2]" 1
811 1 32 LEU HB3 1 33 LEU H 4.000 . 4.300 4.082 3.893 4.278 . 0 0 "[ . 1 . 2]" 1
812 1 16 THR MG 1 18 ASP HA 3.500 . 3.800 3.977 3.889 4.179 0.379 11 0 "[ . 1 . 2]" 1
813 1 6 THR HB 1 32 LEU MD1 5.700 . 6.000 5.709 4.253 6.245 0.245 12 0 "[ . 1 . 2]" 1
814 1 42 ARG HB3 1 43 VAL HB 6.000 . 6.500 6.552 6.416 6.767 0.267 19 0 "[ . 1 . 2]" 1
815 1 9 ILE MD 1 29 GLU HG2 4.300 . 4.600 4.758 4.689 4.811 0.211 18 0 "[ . 1 . 2]" 1
816 1 22 LEU MD1 1 50 GLU HB2 4.200 . 4.500 4.609 4.562 4.644 0.144 8 0 "[ . 1 . 2]" 1
817 1 39 HIS HB2 1 40 TRP HB2 3.000 . 3.300 3.393 3.211 3.636 0.336 12 0 "[ . 1 . 2]" 1
818 1 30 TYR QD 1 31 TYR HB3 6.000 . 6.500 6.453 6.230 6.730 0.230 17 0 "[ . 1 . 2]" 1
819 1 30 TYR HA 1 45 ASP HA 3.000 . 3.300 3.399 3.034 3.525 0.225 17 0 "[ . 1 . 2]" 1
820 1 63 PRO HB2 1 63 PRO HD3 3.700 . 4.000 3.947 3.893 4.024 0.024 11 0 "[ . 1 . 2]" 1
821 1 32 LEU HG 1 35 SER HA 3.000 . 3.300 3.501 3.384 3.664 0.364 6 0 "[ . 1 . 2]" 1
822 1 22 LEU HB3 1 51 GLY H 4.000 . 4.300 4.090 3.863 4.377 0.077 6 0 "[ . 1 . 2]" 1
823 1 9 ILE HG13 1 29 GLU HG2 6.000 . 6.500 5.892 4.959 6.301 . 0 0 "[ . 1 . 2]" 1
824 1 61 LYS HA 1 62 SER H 3.200 . 3.500 3.472 3.200 3.556 0.056 11 0 "[ . 1 . 2]" 1
825 1 19 PRO HB2 1 19 PRO HD3 3.800 . 4.100 3.940 3.867 3.985 . 0 0 "[ . 1 . 2]" 1
826 1 4 GLU HB2 1 5 GLU HG2 3.000 . 3.300 3.564 3.430 3.694 0.394 16 0 "[ . 1 . 2]" 1
827 1 16 THR HB 1 18 ASP HA 6.000 . 6.500 6.386 6.096 6.613 0.113 7 0 "[ . 1 . 2]" 1
828 1 5 GLU HG2 1 31 TYR QE 6.000 . 6.500 6.703 6.575 6.788 0.288 11 0 "[ . 1 . 2]" 1
829 1 32 LEU HG 1 41 TRP HB2 6.000 . 6.500 6.434 6.022 6.584 0.084 11 0 "[ . 1 . 2]" 1
830 1 25 ARG HA 1 26 CYS QB 3.800 . 4.100 4.142 4.091 4.249 0.149 6 0 "[ . 1 . 2]" 1
831 1 35 SER HA 1 36 SER HB3 6.000 . 6.500 5.721 4.252 6.581 0.081 3 0 "[ . 1 . 2]" 1
832 1 31 TYR HB2 1 33 LEU H 6.000 . 6.500 6.356 6.042 6.526 0.026 12 0 "[ . 1 . 2]" 1
833 1 35 SER HA 1 36 SER H 3.200 . 3.500 2.996 2.161 3.502 0.002 16 0 "[ . 1 . 2]" 1
834 1 36 SER HA 1 36 SER HB2 3.000 . 3.300 2.714 2.314 3.030 . 0 0 "[ . 1 . 2]" 1
835 1 29 GLU HG3 1 31 TYR H 6.000 . 6.500 6.511 6.368 6.580 0.080 18 0 "[ . 1 . 2]" 1
836 1 58 LEU HA 1 58 LEU MD2 3.500 . 3.800 4.077 4.067 4.081 0.281 1 0 "[ . 1 . 2]" 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 30
_Distance_constraint_stats_list.Viol_count 93
_Distance_constraint_stats_list.Viol_total 85.905
_Distance_constraint_stats_list.Viol_max 0.153
_Distance_constraint_stats_list.Viol_rms 0.0205
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_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 6 THR 0.417 0.103 17 0 "[ . 1 . 2]"
1 8 VAL 0.014 0.014 10 0 "[ . 1 . 2]"
1 9 ILE 1.182 0.153 17 0 "[ . 1 . 2]"
1 10 ALA 0.909 0.116 20 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.327 0.095 17 0 "[ . 1 . 2]"
1 28 GLU 0.582 0.116 20 0 "[ . 1 . 2]"
1 30 TYR 0.014 0.014 10 0 "[ . 1 . 2]"
1 31 TYR 0.121 0.046 17 0 "[ . 1 . 2]"
1 32 LEU 0.417 0.103 17 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 1.652 0.113 4 0 "[ . 1 . 2]"
1 44 GLN 0.121 0.046 17 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 1.652 0.113 4 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 1.182 0.153 17 0 "[ . 1 . 2]"
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 11 LEU N 1 57 TYR O 3.300 2.500 3.300 2.887 2.806 3.024 . 0 0 "[ . 1 . 2]" 2
2 1 11 LEU H 1 57 TYR O 2.300 . 2.300 1.998 1.876 2.162 . 0 0 "[ . 1 . 2]" 2
3 1 33 LEU N 1 42 ARG O 3.300 2.500 3.300 2.930 2.620 3.152 . 0 0 "[ . 1 . 2]" 2
4 1 33 LEU H 1 42 ARG O 2.300 . 2.300 1.972 1.703 2.172 . 0 0 "[ . 1 . 2]" 2
5 1 8 VAL N 1 30 TYR O 3.300 2.500 3.300 3.089 2.774 3.216 . 0 0 "[ . 1 . 2]" 2
6 1 8 VAL H 1 30 TYR O 2.300 . 2.300 2.181 1.851 2.314 0.014 10 0 "[ . 1 . 2]" 2
7 1 9 ILE N 1 59 VAL O 3.300 2.500 3.300 3.061 3.007 3.140 . 0 0 "[ . 1 . 2]" 2
8 1 9 ILE H 1 59 VAL O 2.300 . 2.300 2.163 2.116 2.249 . 0 0 "[ . 1 . 2]" 2
9 1 6 THR O 1 32 LEU N 3.300 2.500 3.300 2.633 2.433 3.292 0.067 4 0 "[ . 1 . 2]" 2
10 1 6 THR O 1 32 LEU H 2.300 . 2.300 1.745 1.549 2.403 0.103 17 0 "[ . 1 . 2]" 2
11 1 31 TYR O 1 44 GLN N 3.300 2.500 3.300 2.886 2.732 3.201 . 0 0 "[ . 1 . 2]" 2
12 1 31 TYR O 1 44 GLN H 2.300 . 2.300 2.096 1.876 2.346 0.046 17 0 "[ . 1 . 2]" 2
13 1 41 TRP O 1 53 ALA N 3.300 2.500 3.300 2.864 2.593 3.028 . 0 0 "[ . 1 . 2]" 2
14 1 41 TRP O 1 53 ALA H 2.300 . 2.300 1.922 1.703 2.072 . 0 0 "[ . 1 . 2]" 2
15 1 31 TYR N 1 44 GLN O 3.300 2.500 3.300 2.899 2.738 3.294 . 0 0 "[ . 1 . 2]" 2
16 1 31 TYR H 1 44 GLN O 2.300 . 2.300 1.951 1.791 2.337 0.037 17 0 "[ . 1 . 2]" 2
17 1 43 VAL O 1 51 GLY N 3.300 2.500 3.300 3.208 3.110 3.270 . 0 0 "[ . 1 . 2]" 2
18 1 43 VAL O 1 51 GLY H 2.300 . 2.300 2.286 2.158 2.346 0.046 5 0 "[ . 1 . 2]" 2
19 1 43 VAL N 1 51 GLY O 3.300 2.500 3.300 3.315 3.256 3.357 0.057 4 0 "[ . 1 . 2]" 2
20 1 43 VAL H 1 51 GLY O 2.300 . 2.300 2.353 2.282 2.413 0.113 4 0 "[ . 1 . 2]" 2
21 1 9 ILE O 1 59 VAL N 3.300 2.500 3.300 3.216 3.147 3.304 0.004 17 0 "[ . 1 . 2]" 2
22 1 9 ILE O 1 59 VAL H 2.300 . 2.300 2.358 2.281 2.453 0.153 17 0 "[ . 1 . 2]" 2
23 1 10 ALA O 1 27 ASP N 3.300 2.500 3.300 3.199 3.038 3.306 0.006 17 0 "[ . 1 . 2]" 2
24 1 10 ALA O 1 27 ASP H 2.300 . 2.300 2.270 2.117 2.395 0.095 17 0 "[ . 1 . 2]" 2
25 1 45 ASP N 1 49 HIS O 3.300 2.500 3.300 2.676 2.588 2.937 . 0 0 "[ . 1 . 2]" 2
26 1 45 ASP H 1 49 HIS O 2.300 . 2.300 1.729 1.630 2.005 . 0 0 "[ . 1 . 2]" 2
27 1 10 ALA N 1 28 GLU O 3.300 2.500 3.300 3.155 2.967 3.309 0.009 20 0 "[ . 1 . 2]" 2
28 1 10 ALA H 1 28 GLU O 2.300 . 2.300 2.229 2.019 2.416 0.116 20 0 "[ . 1 . 2]" 2
29 1 8 VAL O 1 30 TYR N 3.300 2.500 3.300 2.985 2.699 3.165 . 0 0 "[ . 1 . 2]" 2
30 1 8 VAL O 1 30 TYR H 2.300 . 2.300 2.092 1.760 2.296 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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