NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562851 |
2lvw   |
18591 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvw
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 273
_Distance_constraint_stats_list.Viol_count 49
_Distance_constraint_stats_list.Viol_total 106.710
_Distance_constraint_stats_list.Viol_max 0.276
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.1089
_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 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.067 0.067 1 0 "[ . 1 . 2]"
1 31 PHE 0.119 0.085 2 0 "[ . 1 . 2]"
1 32 ALA 0.049 0.049 11 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.192 0.085 2 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 0.025 0.025 18 0 "[ . 1 . 2]"
1 57 LEU 0.170 0.100 16 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.105 0.105 18 0 "[ . 1 . 2]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 3.337 0.276 3 0 "[ . 1 . 2]"
1 72 ASP 3.270 0.276 3 0 "[ . 1 . 2]"
1 73 LYS 0.737 0.176 8 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 0.170 0.100 16 0 "[ . 1 . 2]"
1 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 GLU 0.094 0.094 18 0 "[ . 1 . 2]"
2 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 LYS 0.699 0.175 8 0 "[ . 1 . 2]"
2 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 93 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 95 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 96 PHE 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 8 HIS HA 1 8 HIS HB2 3.000 . 3.300 2.613 2.374 3.055 . 0 0 "[ . 1 . 2]" 1
2 1 8 HIS HA 1 8 HIS HB3 3.000 . 3.300 2.598 2.437 3.051 . 0 0 "[ . 1 . 2]" 1
3 1 9 ASP HA 1 9 ASP HB2 3.000 . 3.300 2.568 2.411 3.062 . 0 0 "[ . 1 . 2]" 1
4 1 9 ASP HA 1 9 ASP HB3 3.000 . 3.300 2.976 2.546 3.065 . 0 0 "[ . 1 . 2]" 1
5 1 10 ASN HA 1 10 ASN HB2 3.000 . 3.300 2.456 2.368 2.499 . 0 0 "[ . 1 . 2]" 1
6 1 10 ASN HA 1 10 ASN HB3 3.000 . 3.300 2.492 2.432 2.593 . 0 0 "[ . 1 . 2]" 1
7 1 11 VAL HA 1 11 VAL HB 3.000 . 3.300 2.486 2.343 2.554 . 0 0 "[ . 1 . 2]" 1
8 1 12 ILE H 1 12 ILE MD 5.500 . 6.050 3.371 3.043 3.665 . 0 0 "[ . 1 . 2]" 1
9 1 12 ILE HA 1 12 ILE MD 4.500 . 4.950 2.339 2.243 2.472 . 0 0 "[ . 1 . 2]" 1
10 1 16 THR HA 1 16 THR HB 3.000 . 3.300 3.058 3.049 3.068 . 0 0 "[ . 1 . 2]" 1
11 1 18 ARG H 1 18 ARG HG3 3.500 . 3.850 3.062 2.635 3.255 . 0 0 "[ . 1 . 2]" 1
12 1 20 HIS HA 1 20 HIS HB2 3.000 . 3.300 2.881 2.418 3.062 . 0 0 "[ . 1 . 2]" 1
13 1 20 HIS HA 1 20 HIS HB3 3.000 . 3.300 2.686 2.444 3.072 . 0 0 "[ . 1 . 2]" 1
14 1 23 VAL HA 1 23 VAL HB 3.000 . 3.300 2.771 2.434 3.063 . 0 0 "[ . 1 . 2]" 1
15 1 25 THR HA 1 25 THR HB 3.000 . 3.300 2.947 2.472 3.060 . 0 0 "[ . 1 . 2]" 1
16 1 26 HIS HA 1 26 HIS HB2 3.000 . 3.300 3.029 2.580 3.059 . 0 0 "[ . 1 . 2]" 1
17 1 26 HIS HA 1 26 HIS HB3 3.000 . 3.300 2.559 2.456 3.054 . 0 0 "[ . 1 . 2]" 1
18 1 27 VAL HA 1 27 VAL HB 3.000 . 3.300 2.437 2.369 2.467 . 0 0 "[ . 1 . 2]" 1
19 1 28 CYS HA 1 28 CYS HB2 3.000 . 3.300 2.862 2.421 3.047 . 0 0 "[ . 1 . 2]" 1
20 1 28 CYS HA 1 28 CYS HB3 3.000 . 3.300 2.595 2.477 3.048 . 0 0 "[ . 1 . 2]" 1
21 1 30 LEU H 1 30 LEU HG 4.500 . 4.950 4.098 2.600 4.531 . 0 0 "[ . 1 . 2]" 1
22 1 30 LEU H 1 30 LEU MD2 5.000 . 5.500 2.589 2.168 3.830 . 0 0 "[ . 1 . 2]" 1
23 1 30 LEU HA 1 30 LEU HB2 3.000 . 3.300 2.981 2.667 3.026 . 0 0 "[ . 1 . 2]" 1
24 1 30 LEU HA 1 30 LEU HB3 3.000 . 3.300 2.719 2.558 3.033 . 0 0 "[ . 1 . 2]" 1
25 1 30 LEU HA 1 30 LEU MD2 4.000 . 4.400 2.584 1.977 2.939 . 0 0 "[ . 1 . 2]" 1
26 1 31 PHE HA 1 31 PHE HB2 3.000 . 3.300 3.042 3.031 3.051 . 0 0 "[ . 1 . 2]" 1
27 1 31 PHE HA 1 31 PHE HB3 3.000 . 3.300 2.502 2.433 2.590 . 0 0 "[ . 1 . 2]" 1
28 1 33 ARG H 1 33 ARG HG2 4.500 . 4.950 2.241 2.102 2.419 . 0 0 "[ . 1 . 2]" 1
29 1 33 ARG H 1 33 ARG HG3 4.500 . 4.950 3.498 3.296 3.752 . 0 0 "[ . 1 . 2]" 1
30 1 33 ARG H 1 33 ARG QD 4.500 . 4.950 3.751 3.519 3.914 . 0 0 "[ . 1 . 2]" 1
31 1 33 ARG HA 1 33 ARG HB2 3.000 . 3.300 2.418 2.386 2.444 . 0 0 "[ . 1 . 2]" 1
32 1 33 ARG HA 1 33 ARG HB3 3.000 . 3.300 2.508 2.456 2.548 . 0 0 "[ . 1 . 2]" 1
33 1 33 ARG HA 1 33 ARG QD 4.500 . 4.950 4.586 4.528 4.618 . 0 0 "[ . 1 . 2]" 1
34 1 34 ARG H 1 34 ARG HG2 5.500 . 6.050 4.367 2.480 4.690 . 0 0 "[ . 1 . 2]" 1
35 1 34 ARG H 1 34 ARG HG3 5.500 . 6.050 4.434 2.412 4.654 . 0 0 "[ . 1 . 2]" 1
36 1 34 ARG H 1 34 ARG QD 5.500 . 6.050 4.542 4.101 4.839 . 0 0 "[ . 1 . 2]" 1
37 1 34 ARG HA 1 34 ARG HB2 3.000 . 3.300 2.475 2.400 2.650 . 0 0 "[ . 1 . 2]" 1
38 1 34 ARG HA 1 34 ARG HB3 3.000 . 3.300 3.017 2.385 3.058 . 0 0 "[ . 1 . 2]" 1
39 1 34 ARG HA 1 34 ARG QD 4.500 . 4.950 3.815 2.055 4.617 . 0 0 "[ . 1 . 2]" 1
40 1 41 ILE H 1 41 ILE MD 5.500 . 6.050 4.244 3.921 4.439 . 0 0 "[ . 1 . 2]" 1
41 1 44 LEU H 1 44 LEU MD1 5.500 . 6.050 4.019 2.912 4.317 . 0 0 "[ . 1 . 2]" 1
42 1 44 LEU HA 1 44 LEU HB2 3.000 . 3.300 2.611 2.501 3.001 . 0 0 "[ . 1 . 2]" 1
43 1 44 LEU HA 1 44 LEU HG 3.500 . 3.850 2.949 2.560 3.669 . 0 0 "[ . 1 . 2]" 1
44 1 44 LEU HA 1 44 LEU MD1 4.500 . 4.950 2.283 2.061 3.806 . 0 0 "[ . 1 . 2]" 1
45 1 47 GLN HA 1 47 GLN HB2 3.000 . 3.300 2.453 2.362 2.523 . 0 0 "[ . 1 . 2]" 1
46 1 47 GLN HA 1 47 GLN HB3 3.000 . 3.300 2.563 2.400 3.040 . 0 0 "[ . 1 . 2]" 1
47 1 48 ASP HA 1 48 ASP HB2 3.000 . 3.300 2.448 2.284 3.056 . 0 0 "[ . 1 . 2]" 1
48 1 48 ASP HA 1 48 ASP HB3 3.000 . 3.300 2.892 2.407 3.055 . 0 0 "[ . 1 . 2]" 1
49 1 49 SER HA 1 49 SER HB2 3.000 . 3.300 2.959 2.535 3.064 . 0 0 "[ . 1 . 2]" 1
50 1 49 SER HA 1 49 SER HB3 3.000 . 3.300 2.486 2.408 2.552 . 0 0 "[ . 1 . 2]" 1
51 1 50 ASP HA 1 50 ASP HB2 3.000 . 3.300 2.718 2.452 3.059 . 0 0 "[ . 1 . 2]" 1
52 1 50 ASP HA 1 50 ASP HB3 3.000 . 3.300 2.477 2.375 2.631 . 0 0 "[ . 1 . 2]" 1
53 1 52 SER HA 1 52 SER HB3 3.000 . 3.300 2.893 2.471 3.072 . 0 0 "[ . 1 . 2]" 1
54 1 54 ILE H 1 54 ILE MD 4.500 . 4.950 2.171 1.914 2.454 . 0 0 "[ . 1 . 2]" 1
55 1 54 ILE HA 1 54 ILE HB 3.000 . 3.300 3.065 3.057 3.072 . 0 0 "[ . 1 . 2]" 1
56 1 56 LEU HA 1 56 LEU MD1 4.500 . 4.950 2.639 2.064 3.931 . 0 0 "[ . 1 . 2]" 1
57 1 56 LEU HA 1 56 LEU MD2 4.500 . 4.950 2.885 2.046 3.645 . 0 0 "[ . 1 . 2]" 1
58 1 57 LEU H 1 57 LEU MD1 4.500 . 4.950 2.572 2.314 3.485 . 0 0 "[ . 1 . 2]" 1
59 1 57 LEU H 1 57 LEU MD2 5.500 . 6.050 3.692 1.995 4.090 . 0 0 "[ . 1 . 2]" 1
60 1 57 LEU HA 1 57 LEU MD2 4.500 . 4.950 3.781 3.128 3.936 . 0 0 "[ . 1 . 2]" 1
61 1 58 VAL H 1 58 VAL MG1 3.000 . 3.300 2.434 2.268 2.561 . 0 0 "[ . 1 . 2]" 1
62 1 58 VAL HA 1 58 VAL HB 3.000 . 3.300 2.541 2.511 2.589 . 0 0 "[ . 1 . 2]" 1
63 1 59 ASN HA 1 59 ASN HB2 3.000 . 3.300 2.484 2.405 2.627 . 0 0 "[ . 1 . 2]" 1
64 1 59 ASN HA 1 59 ASN HB3 3.000 . 3.300 2.421 2.311 2.502 . 0 0 "[ . 1 . 2]" 1
65 1 60 ASP HA 1 60 ASP HB2 3.000 . 3.300 2.442 2.341 2.506 . 0 0 "[ . 1 . 2]" 1
66 1 60 ASP HA 1 60 ASP HB3 3.000 . 3.300 2.887 2.471 3.054 . 0 0 "[ . 1 . 2]" 1
67 1 62 GLN HA 1 62 GLN QG 3.000 . 3.300 2.594 2.434 3.036 . 0 0 "[ . 1 . 2]" 1
68 1 64 LEU HA 1 64 LEU HB2 3.000 . 3.300 2.585 2.413 2.741 . 0 0 "[ . 1 . 2]" 1
69 1 64 LEU HA 1 64 LEU HB3 3.000 . 3.300 3.032 3.007 3.047 . 0 0 "[ . 1 . 2]" 1
70 1 64 LEU HA 1 64 LEU MD1 4.000 . 4.400 2.546 2.218 3.489 . 0 0 "[ . 1 . 2]" 1
71 1 64 LEU HA 1 64 LEU MD2 4.500 . 4.950 3.301 1.982 3.999 . 0 0 "[ . 1 . 2]" 1
72 1 65 GLU H 1 65 GLU HG2 3.500 . 3.850 3.296 3.046 3.499 . 0 0 "[ . 1 . 2]" 1
73 1 65 GLU HA 1 65 GLU QG 3.000 . 3.300 2.522 2.361 3.405 0.105 18 0 "[ . 1 . 2]" 1
74 1 66 GLN H 1 66 GLN HG2 5.500 . 6.050 3.496 2.140 4.662 . 0 0 "[ . 1 . 2]" 1
75 1 66 GLN H 1 66 GLN HG3 5.500 . 6.050 3.968 2.022 4.542 . 0 0 "[ . 1 . 2]" 1
76 1 67 MET HA 1 67 MET HB2 3.000 . 3.300 2.970 2.489 3.058 . 0 0 "[ . 1 . 2]" 1
77 1 67 MET HA 1 67 MET HB3 3.000 . 3.300 2.605 2.404 3.051 . 0 0 "[ . 1 . 2]" 1
78 1 68 ILE H 1 68 ILE MD 5.500 . 6.050 3.595 3.480 3.743 . 0 0 "[ . 1 . 2]" 1
79 1 68 ILE HA 1 68 ILE HB 3.000 . 3.300 3.056 3.033 3.068 . 0 0 "[ . 1 . 2]" 1
80 1 68 ILE HA 1 68 ILE MD 4.500 . 4.950 3.903 3.823 3.949 . 0 0 "[ . 1 . 2]" 1
81 1 71 ILE H 1 71 ILE MD 5.500 . 6.050 4.499 4.461 4.545 . 0 0 "[ . 1 . 2]" 1
82 1 71 ILE HA 1 71 ILE HB 3.000 . 3.300 2.504 2.414 2.570 . 0 0 "[ . 1 . 2]" 1
83 1 72 ASP HA 1 72 ASP HB2 3.000 . 3.300 2.400 2.292 2.446 . 0 0 "[ . 1 . 2]" 1
84 1 72 ASP HA 1 72 ASP HB3 3.000 . 3.300 3.012 2.529 3.055 . 0 0 "[ . 1 . 2]" 1
85 1 73 LYS H 1 73 LYS HG2 4.500 . 4.950 2.397 1.894 3.519 . 0 0 "[ . 1 . 2]" 1
86 1 73 LYS H 1 73 LYS HG3 4.500 . 4.950 3.263 2.064 3.818 . 0 0 "[ . 1 . 2]" 1
87 1 73 LYS H 1 73 LYS HE2 6.000 . 6.600 4.463 2.796 5.433 . 0 0 "[ . 1 . 2]" 1
88 1 73 LYS HA 1 73 LYS HB2 3.000 . 3.300 2.935 2.476 3.049 . 0 0 "[ . 1 . 2]" 1
89 1 73 LYS HA 1 73 LYS HB3 3.000 . 3.300 2.434 2.380 2.491 . 0 0 "[ . 1 . 2]" 1
90 1 73 LYS HA 1 73 LYS HG2 4.000 . 4.400 3.257 2.570 3.761 . 0 0 "[ . 1 . 2]" 1
91 1 73 LYS HA 1 73 LYS HG3 4.000 . 4.400 3.717 3.050 3.927 . 0 0 "[ . 1 . 2]" 1
92 1 73 LYS HA 1 73 LYS HE2 4.500 . 4.950 4.180 2.099 4.962 0.012 20 0 "[ . 1 . 2]" 1
93 1 73 LYS HA 1 73 LYS HE3 4.500 . 4.950 4.344 2.101 5.104 0.154 17 0 "[ . 1 . 2]" 1
94 1 73 LYS HB2 1 73 LYS HE2 4.500 . 4.950 3.991 2.897 5.126 0.176 8 0 "[ . 1 . 2]" 1
95 1 73 LYS HB2 1 73 LYS HE3 5.000 . 5.500 4.445 3.773 5.558 0.058 20 0 "[ . 1 . 2]" 1
96 1 74 LEU H 1 74 LEU MD1 5.500 . 6.050 3.927 3.657 4.296 . 0 0 "[ . 1 . 2]" 1
97 1 74 LEU H 1 74 LEU MD2 4.000 . 4.400 2.466 2.170 3.273 . 0 0 "[ . 1 . 2]" 1
98 1 75 GLU HA 1 75 GLU HB2 3.000 . 3.300 2.995 2.530 3.051 . 0 0 "[ . 1 . 2]" 1
99 1 75 GLU HA 1 75 GLU HB3 3.000 . 3.300 2.476 2.381 2.523 . 0 0 "[ . 1 . 2]" 1
100 1 76 ASP HA 1 76 ASP HB2 3.000 . 3.300 2.820 2.397 3.069 . 0 0 "[ . 1 . 2]" 1
101 1 76 ASP HA 1 76 ASP HB3 3.000 . 3.300 2.435 2.355 2.537 . 0 0 "[ . 1 . 2]" 1
102 1 77 VAL HA 1 77 VAL HB 3.000 . 3.300 3.056 3.048 3.064 . 0 0 "[ . 1 . 2]" 1
103 1 78 VAL HA 1 78 VAL HB 3.000 . 3.300 3.061 3.055 3.065 . 0 0 "[ . 1 . 2]" 1
104 1 79 LYS H 1 79 LYS QD 5.500 . 6.050 4.633 4.415 5.093 . 0 0 "[ . 1 . 2]" 1
105 1 80 VAL HA 1 80 VAL HB 3.000 . 3.300 2.530 2.438 2.614 . 0 0 "[ . 1 . 2]" 1
106 1 81 GLN HA 1 81 GLN HB2 3.000 . 3.300 2.770 2.443 3.058 . 0 0 "[ . 1 . 2]" 1
107 1 81 GLN HA 1 81 GLN HB3 3.000 . 3.300 2.793 2.462 3.065 . 0 0 "[ . 1 . 2]" 1
108 1 82 ARG H 1 82 ARG HG2 5.500 . 6.050 3.709 2.499 4.598 . 0 0 "[ . 1 . 2]" 1
109 1 82 ARG H 1 82 ARG HG3 5.500 . 6.050 2.785 2.004 4.837 . 0 0 "[ . 1 . 2]" 1
110 1 82 ARG HA 1 82 ARG HB3 3.000 . 3.300 2.481 2.348 3.057 . 0 0 "[ . 1 . 2]" 1
111 1 83 ASN HA 1 83 ASN HB2 3.000 . 3.300 3.059 3.045 3.072 . 0 0 "[ . 1 . 2]" 1
112 1 83 ASN HA 1 83 ASN HB3 3.000 . 3.300 2.516 2.440 2.658 . 0 0 "[ . 1 . 2]" 1
113 1 84 GLN HA 1 84 GLN HB2 3.000 . 3.300 2.699 2.447 3.059 . 0 0 "[ . 1 . 2]" 1
114 1 84 GLN HA 1 84 GLN HB3 3.000 . 3.300 2.598 2.317 3.060 . 0 0 "[ . 1 . 2]" 1
115 1 85 SER HA 1 85 SER HB2 3.000 . 3.300 2.489 2.423 2.547 . 0 0 "[ . 1 . 2]" 1
116 1 85 SER HA 1 85 SER HB3 3.000 . 3.300 3.041 3.011 3.066 . 0 0 "[ . 1 . 2]" 1
117 1 86 ASP HA 1 86 ASP HB2 3.000 . 3.300 2.737 2.438 3.064 . 0 0 "[ . 1 . 2]" 1
118 1 86 ASP HA 1 86 ASP HB3 3.000 . 3.300 2.815 2.455 3.069 . 0 0 "[ . 1 . 2]" 1
119 1 87 PRO HA 1 87 PRO HB3 3.000 . 3.300 2.329 2.293 2.358 . 0 0 "[ . 1 . 2]" 1
120 1 87 PRO HA 1 87 PRO HD2 4.500 . 4.950 4.036 3.913 4.136 . 0 0 "[ . 1 . 2]" 1
121 1 89 MET HA 1 89 MET HB2 3.000 . 3.300 2.609 2.412 3.057 . 0 0 "[ . 1 . 2]" 1
122 1 89 MET HA 1 89 MET HB3 3.000 . 3.300 2.916 2.495 3.060 . 0 0 "[ . 1 . 2]" 1
123 1 90 PHE HA 1 90 PHE QD 3.500 . 3.850 3.195 2.488 3.795 . 0 0 "[ . 1 . 2]" 1
124 1 91 ASN HA 1 91 ASN HB2 3.000 . 3.300 2.480 2.404 2.544 . 0 0 "[ . 1 . 2]" 1
125 1 91 ASN HA 1 91 ASN HB3 3.000 . 3.300 3.052 3.045 3.059 . 0 0 "[ . 1 . 2]" 1
126 1 93 ILE HA 1 93 ILE HB 3.000 . 3.300 2.438 2.367 2.525 . 0 0 "[ . 1 . 2]" 1
127 1 95 VAL HA 1 95 VAL HB 3.000 . 3.300 2.576 2.423 3.060 . 0 0 "[ . 1 . 2]" 1
128 1 96 PHE HA 1 96 PHE QE 5.500 . 6.050 4.523 4.377 4.632 . 0 0 "[ . 1 . 2]" 1
129 2 8 HIS HA 2 8 HIS HB2 3.000 . 3.300 2.642 2.355 3.057 . 0 0 "[ . 1 . 2]" 1
130 2 8 HIS HA 2 8 HIS HB3 3.000 . 3.300 2.522 2.400 3.043 . 0 0 "[ . 1 . 2]" 1
131 2 9 ASP HA 2 9 ASP HB2 3.000 . 3.300 2.503 2.408 2.621 . 0 0 "[ . 1 . 2]" 1
132 2 9 ASP HA 2 9 ASP HB3 3.000 . 3.300 3.024 2.492 3.072 . 0 0 "[ . 1 . 2]" 1
133 2 10 ASN HA 2 10 ASN HB2 3.000 . 3.300 2.458 2.399 2.497 . 0 0 "[ . 1 . 2]" 1
134 2 10 ASN HA 2 10 ASN HB3 3.000 . 3.300 2.489 2.432 2.555 . 0 0 "[ . 1 . 2]" 1
135 2 11 VAL HA 2 11 VAL HB 3.000 . 3.300 2.487 2.343 2.558 . 0 0 "[ . 1 . 2]" 1
136 2 12 ILE H 2 12 ILE MD 5.500 . 6.050 3.372 3.042 3.661 . 0 0 "[ . 1 . 2]" 1
137 2 12 ILE HA 2 12 ILE MD 4.500 . 4.950 2.334 2.236 2.457 . 0 0 "[ . 1 . 2]" 1
138 2 16 THR HA 2 16 THR HB 3.000 . 3.300 3.058 3.049 3.069 . 0 0 "[ . 1 . 2]" 1
139 2 18 ARG H 2 18 ARG HG3 3.500 . 3.850 3.061 2.614 3.247 . 0 0 "[ . 1 . 2]" 1
140 2 20 HIS HA 2 20 HIS HB2 3.000 . 3.300 2.880 2.419 3.062 . 0 0 "[ . 1 . 2]" 1
141 2 20 HIS HA 2 20 HIS HB3 3.000 . 3.300 2.685 2.442 3.070 . 0 0 "[ . 1 . 2]" 1
142 2 23 VAL HA 2 23 VAL HB 3.000 . 3.300 2.771 2.433 3.063 . 0 0 "[ . 1 . 2]" 1
143 2 25 THR HA 2 25 THR HB 3.000 . 3.300 2.946 2.472 3.061 . 0 0 "[ . 1 . 2]" 1
144 2 26 HIS HA 2 26 HIS HB2 3.000 . 3.300 3.030 2.580 3.063 . 0 0 "[ . 1 . 2]" 1
145 2 26 HIS HA 2 26 HIS HB3 3.000 . 3.300 2.556 2.454 3.052 . 0 0 "[ . 1 . 2]" 1
146 2 27 VAL HA 2 27 VAL HB 3.000 . 3.300 2.434 2.369 2.465 . 0 0 "[ . 1 . 2]" 1
147 2 28 CYS HA 2 28 CYS HB2 3.000 . 3.300 2.862 2.420 3.047 . 0 0 "[ . 1 . 2]" 1
148 2 28 CYS HA 2 28 CYS HB3 3.000 . 3.300 2.596 2.475 3.046 . 0 0 "[ . 1 . 2]" 1
149 2 30 LEU H 2 30 LEU HG 4.500 . 4.950 4.097 2.596 4.524 . 0 0 "[ . 1 . 2]" 1
150 2 30 LEU H 2 30 LEU MD2 5.000 . 5.500 2.600 2.197 3.828 . 0 0 "[ . 1 . 2]" 1
151 2 30 LEU HA 2 30 LEU HB2 3.000 . 3.300 2.980 2.664 3.027 . 0 0 "[ . 1 . 2]" 1
152 2 30 LEU HA 2 30 LEU HB3 3.000 . 3.300 2.721 2.555 3.033 . 0 0 "[ . 1 . 2]" 1
153 2 30 LEU HA 2 30 LEU MD2 4.000 . 4.400 2.585 1.970 2.931 . 0 0 "[ . 1 . 2]" 1
154 2 31 PHE HA 2 31 PHE HB2 3.000 . 3.300 3.044 3.032 3.053 . 0 0 "[ . 1 . 2]" 1
155 2 31 PHE HA 2 31 PHE HB3 3.000 . 3.300 2.504 2.437 2.591 . 0 0 "[ . 1 . 2]" 1
156 2 33 ARG H 2 33 ARG HG2 4.500 . 4.950 2.243 2.095 2.398 . 0 0 "[ . 1 . 2]" 1
157 2 33 ARG H 2 33 ARG HG3 4.500 . 4.950 3.501 3.300 3.742 . 0 0 "[ . 1 . 2]" 1
158 2 33 ARG H 2 33 ARG QD 4.500 . 4.950 3.750 3.532 3.924 . 0 0 "[ . 1 . 2]" 1
159 2 33 ARG HA 2 33 ARG HB2 3.000 . 3.300 2.417 2.383 2.446 . 0 0 "[ . 1 . 2]" 1
160 2 33 ARG HA 2 33 ARG HB3 3.000 . 3.300 2.508 2.466 2.544 . 0 0 "[ . 1 . 2]" 1
161 2 33 ARG HA 2 33 ARG QD 4.500 . 4.950 4.583 4.533 4.619 . 0 0 "[ . 1 . 2]" 1
162 2 34 ARG H 2 34 ARG HG2 5.500 . 6.050 4.369 2.494 4.692 . 0 0 "[ . 1 . 2]" 1
163 2 34 ARG H 2 34 ARG HG3 5.500 . 6.050 4.437 2.439 4.653 . 0 0 "[ . 1 . 2]" 1
164 2 34 ARG H 2 34 ARG QD 5.500 . 6.050 4.543 4.120 4.831 . 0 0 "[ . 1 . 2]" 1
165 2 34 ARG HA 2 34 ARG HB2 3.000 . 3.300 2.476 2.410 2.648 . 0 0 "[ . 1 . 2]" 1
166 2 34 ARG HA 2 34 ARG HB3 3.000 . 3.300 3.017 2.381 3.059 . 0 0 "[ . 1 . 2]" 1
167 2 34 ARG HA 2 34 ARG QD 4.500 . 4.950 3.815 2.060 4.620 . 0 0 "[ . 1 . 2]" 1
168 2 41 ILE H 2 41 ILE MD 5.500 . 6.050 4.244 3.922 4.431 . 0 0 "[ . 1 . 2]" 1
169 2 44 LEU H 2 44 LEU MD1 5.500 . 6.050 4.020 2.911 4.314 . 0 0 "[ . 1 . 2]" 1
170 2 44 LEU HA 2 44 LEU HB2 3.000 . 3.300 2.610 2.496 3.000 . 0 0 "[ . 1 . 2]" 1
171 2 44 LEU HA 2 44 LEU HG 3.500 . 3.850 2.950 2.559 3.677 . 0 0 "[ . 1 . 2]" 1
172 2 44 LEU HA 2 44 LEU MD1 4.500 . 4.950 2.284 2.060 3.814 . 0 0 "[ . 1 . 2]" 1
173 2 47 GLN HA 2 47 GLN HB2 3.000 . 3.300 2.453 2.364 2.528 . 0 0 "[ . 1 . 2]" 1
174 2 47 GLN HA 2 47 GLN HB3 3.000 . 3.300 2.563 2.395 3.039 . 0 0 "[ . 1 . 2]" 1
175 2 48 ASP HA 2 48 ASP HB2 3.000 . 3.300 2.447 2.284 3.052 . 0 0 "[ . 1 . 2]" 1
176 2 48 ASP HA 2 48 ASP HB3 3.000 . 3.300 2.891 2.404 3.054 . 0 0 "[ . 1 . 2]" 1
177 2 49 SER HA 2 49 SER HB2 3.000 . 3.300 2.960 2.540 3.067 . 0 0 "[ . 1 . 2]" 1
178 2 49 SER HA 2 49 SER HB3 3.000 . 3.300 2.486 2.400 2.553 . 0 0 "[ . 1 . 2]" 1
179 2 50 ASP HA 2 50 ASP HB2 3.000 . 3.300 2.718 2.453 3.061 . 0 0 "[ . 1 . 2]" 1
180 2 50 ASP HA 2 50 ASP HB3 3.000 . 3.300 2.480 2.371 2.652 . 0 0 "[ . 1 . 2]" 1
181 2 52 SER HA 2 52 SER HB3 3.000 . 3.300 2.893 2.471 3.073 . 0 0 "[ . 1 . 2]" 1
182 2 54 ILE H 2 54 ILE MD 4.500 . 4.950 2.172 1.905 2.454 . 0 0 "[ . 1 . 2]" 1
183 2 54 ILE HA 2 54 ILE HB 3.000 . 3.300 3.064 3.057 3.071 . 0 0 "[ . 1 . 2]" 1
184 2 56 LEU HA 2 56 LEU MD1 4.500 . 4.950 2.637 2.062 3.931 . 0 0 "[ . 1 . 2]" 1
185 2 56 LEU HA 2 56 LEU MD2 4.500 . 4.950 2.883 2.043 3.643 . 0 0 "[ . 1 . 2]" 1
186 2 57 LEU H 2 57 LEU MD1 4.500 . 4.950 2.574 2.318 3.488 . 0 0 "[ . 1 . 2]" 1
187 2 57 LEU H 2 57 LEU MD2 5.500 . 6.050 3.694 2.008 4.095 . 0 0 "[ . 1 . 2]" 1
188 2 57 LEU HA 2 57 LEU MD2 4.500 . 4.950 3.783 3.132 3.937 . 0 0 "[ . 1 . 2]" 1
189 2 58 VAL H 2 58 VAL MG1 3.000 . 3.300 2.424 2.251 2.562 . 0 0 "[ . 1 . 2]" 1
190 2 58 VAL HA 2 58 VAL HB 3.000 . 3.300 2.541 2.508 2.589 . 0 0 "[ . 1 . 2]" 1
191 2 59 ASN HA 2 59 ASN HB2 3.000 . 3.300 2.482 2.399 2.626 . 0 0 "[ . 1 . 2]" 1
192 2 59 ASN HA 2 59 ASN HB3 3.000 . 3.300 2.420 2.306 2.509 . 0 0 "[ . 1 . 2]" 1
193 2 60 ASP HA 2 60 ASP HB2 3.000 . 3.300 2.442 2.342 2.512 . 0 0 "[ . 1 . 2]" 1
194 2 60 ASP HA 2 60 ASP HB3 3.000 . 3.300 2.887 2.460 3.050 . 0 0 "[ . 1 . 2]" 1
195 2 62 GLN HA 2 62 GLN QG 3.000 . 3.300 2.597 2.433 3.029 . 0 0 "[ . 1 . 2]" 1
196 2 64 LEU HA 2 64 LEU HB2 3.000 . 3.300 2.586 2.415 2.743 . 0 0 "[ . 1 . 2]" 1
197 2 64 LEU HA 2 64 LEU HB3 3.000 . 3.300 3.033 3.007 3.048 . 0 0 "[ . 1 . 2]" 1
198 2 64 LEU HA 2 64 LEU MD1 4.000 . 4.400 2.546 2.219 3.489 . 0 0 "[ . 1 . 2]" 1
199 2 64 LEU HA 2 64 LEU MD2 4.500 . 4.950 3.303 1.988 4.000 . 0 0 "[ . 1 . 2]" 1
200 2 65 GLU H 2 65 GLU HG2 3.500 . 3.850 3.296 3.054 3.524 . 0 0 "[ . 1 . 2]" 1
201 2 65 GLU HA 2 65 GLU QG 3.000 . 3.300 2.523 2.355 3.394 0.094 18 0 "[ . 1 . 2]" 1
202 2 66 GLN H 2 66 GLN HG2 5.500 . 6.050 3.499 2.173 4.658 . 0 0 "[ . 1 . 2]" 1
203 2 66 GLN H 2 66 GLN HG3 5.500 . 6.050 3.972 2.009 4.545 . 0 0 "[ . 1 . 2]" 1
204 2 67 MET HA 2 67 MET HB2 3.000 . 3.300 2.969 2.489 3.058 . 0 0 "[ . 1 . 2]" 1
205 2 67 MET HA 2 67 MET HB3 3.000 . 3.300 2.605 2.403 3.055 . 0 0 "[ . 1 . 2]" 1
206 2 68 ILE H 2 68 ILE MD 5.500 . 6.050 3.596 3.482 3.747 . 0 0 "[ . 1 . 2]" 1
207 2 68 ILE HA 2 68 ILE HB 3.000 . 3.300 3.056 3.034 3.068 . 0 0 "[ . 1 . 2]" 1
208 2 68 ILE HA 2 68 ILE MD 4.500 . 4.950 3.902 3.824 3.955 . 0 0 "[ . 1 . 2]" 1
209 2 71 ILE H 2 71 ILE MD 5.500 . 6.050 4.500 4.461 4.539 . 0 0 "[ . 1 . 2]" 1
210 2 71 ILE HA 2 71 ILE HB 3.000 . 3.300 2.504 2.416 2.570 . 0 0 "[ . 1 . 2]" 1
211 2 72 ASP HA 2 72 ASP HB2 3.000 . 3.300 2.399 2.292 2.446 . 0 0 "[ . 1 . 2]" 1
212 2 72 ASP HA 2 72 ASP HB3 3.000 . 3.300 3.012 2.526 3.053 . 0 0 "[ . 1 . 2]" 1
213 2 73 LYS H 2 73 LYS HG2 4.500 . 4.950 2.399 1.909 3.525 . 0 0 "[ . 1 . 2]" 1
214 2 73 LYS H 2 73 LYS HG3 4.500 . 4.950 3.264 2.076 3.823 . 0 0 "[ . 1 . 2]" 1
215 2 73 LYS H 2 73 LYS HE2 6.000 . 6.600 4.464 2.845 5.416 . 0 0 "[ . 1 . 2]" 1
216 2 73 LYS HA 2 73 LYS HB2 3.000 . 3.300 2.934 2.473 3.051 . 0 0 "[ . 1 . 2]" 1
217 2 73 LYS HA 2 73 LYS HB3 3.000 . 3.300 2.434 2.380 2.489 . 0 0 "[ . 1 . 2]" 1
218 2 73 LYS HA 2 73 LYS HG2 4.000 . 4.400 3.256 2.577 3.756 . 0 0 "[ . 1 . 2]" 1
219 2 73 LYS HA 2 73 LYS HG3 4.000 . 4.400 3.715 3.035 3.929 . 0 0 "[ . 1 . 2]" 1
220 2 73 LYS HA 2 73 LYS HE2 4.500 . 4.950 4.179 2.103 4.953 0.003 20 0 "[ . 1 . 2]" 1
221 2 73 LYS HA 2 73 LYS HE3 4.500 . 4.950 4.341 2.118 5.100 0.150 17 0 "[ . 1 . 2]" 1
222 2 73 LYS HB2 2 73 LYS HE2 4.500 . 4.950 3.988 2.892 5.125 0.175 8 0 "[ . 1 . 2]" 1
223 2 73 LYS HB2 2 73 LYS HE3 5.000 . 5.500 4.444 3.785 5.559 0.059 20 0 "[ . 1 . 2]" 1
224 2 74 LEU H 2 74 LEU MD1 5.500 . 6.050 3.931 3.665 4.306 . 0 0 "[ . 1 . 2]" 1
225 2 74 LEU H 2 74 LEU MD2 4.000 . 4.400 2.478 2.158 3.300 . 0 0 "[ . 1 . 2]" 1
226 2 75 GLU HA 2 75 GLU HB2 3.000 . 3.300 2.995 2.525 3.052 . 0 0 "[ . 1 . 2]" 1
227 2 75 GLU HA 2 75 GLU HB3 3.000 . 3.300 2.475 2.372 2.520 . 0 0 "[ . 1 . 2]" 1
228 2 76 ASP HA 2 76 ASP HB2 3.000 . 3.300 2.821 2.404 3.069 . 0 0 "[ . 1 . 2]" 1
229 2 76 ASP HA 2 76 ASP HB3 3.000 . 3.300 2.433 2.358 2.521 . 0 0 "[ . 1 . 2]" 1
230 2 77 VAL HA 2 77 VAL HB 3.000 . 3.300 3.057 3.050 3.062 . 0 0 "[ . 1 . 2]" 1
231 2 78 VAL HA 2 78 VAL HB 3.000 . 3.300 3.060 3.051 3.067 . 0 0 "[ . 1 . 2]" 1
232 2 79 LYS H 2 79 LYS QD 5.500 . 6.050 4.633 4.400 5.109 . 0 0 "[ . 1 . 2]" 1
233 2 80 VAL HA 2 80 VAL HB 3.000 . 3.300 2.531 2.438 2.616 . 0 0 "[ . 1 . 2]" 1
234 2 81 GLN HA 2 81 GLN HB2 3.000 . 3.300 2.771 2.449 3.059 . 0 0 "[ . 1 . 2]" 1
235 2 81 GLN HA 2 81 GLN HB3 3.000 . 3.300 2.794 2.466 3.065 . 0 0 "[ . 1 . 2]" 1
236 2 82 ARG H 2 82 ARG HG2 5.500 . 6.050 3.711 2.492 4.600 . 0 0 "[ . 1 . 2]" 1
237 2 82 ARG H 2 82 ARG HG3 5.500 . 6.050 2.787 2.006 4.834 . 0 0 "[ . 1 . 2]" 1
238 2 82 ARG HA 2 82 ARG HB3 3.000 . 3.300 2.482 2.346 3.055 . 0 0 "[ . 1 . 2]" 1
239 2 83 ASN HA 2 83 ASN HB2 3.000 . 3.300 3.058 3.048 3.071 . 0 0 "[ . 1 . 2]" 1
240 2 83 ASN HA 2 83 ASN HB3 3.000 . 3.300 2.514 2.435 2.653 . 0 0 "[ . 1 . 2]" 1
241 2 84 GLN HA 2 84 GLN HB2 3.000 . 3.300 2.699 2.442 3.062 . 0 0 "[ . 1 . 2]" 1
242 2 84 GLN HA 2 84 GLN HB3 3.000 . 3.300 2.600 2.320 3.059 . 0 0 "[ . 1 . 2]" 1
243 2 85 SER HA 2 85 SER HB2 3.000 . 3.300 2.487 2.425 2.542 . 0 0 "[ . 1 . 2]" 1
244 2 85 SER HA 2 85 SER HB3 3.000 . 3.300 3.041 3.015 3.067 . 0 0 "[ . 1 . 2]" 1
245 2 86 ASP HA 2 86 ASP HB2 3.000 . 3.300 2.736 2.440 3.065 . 0 0 "[ . 1 . 2]" 1
246 2 86 ASP HA 2 86 ASP HB3 3.000 . 3.300 2.815 2.458 3.070 . 0 0 "[ . 1 . 2]" 1
247 2 87 PRO HA 2 87 PRO HB3 3.000 . 3.300 2.329 2.289 2.364 . 0 0 "[ . 1 . 2]" 1
248 2 87 PRO HA 2 87 PRO HD2 4.500 . 4.950 4.036 3.906 4.130 . 0 0 "[ . 1 . 2]" 1
249 2 89 MET HA 2 89 MET HB2 3.000 . 3.300 2.609 2.419 3.057 . 0 0 "[ . 1 . 2]" 1
250 2 89 MET HA 2 89 MET HB3 3.000 . 3.300 2.915 2.494 3.059 . 0 0 "[ . 1 . 2]" 1
251 2 90 PHE HA 2 90 PHE QD 3.500 . 3.850 3.194 2.488 3.796 . 0 0 "[ . 1 . 2]" 1
252 2 91 ASN HA 2 91 ASN HB2 3.000 . 3.300 2.479 2.400 2.542 . 0 0 "[ . 1 . 2]" 1
253 2 91 ASN HA 2 91 ASN HB3 3.000 . 3.300 3.051 3.041 3.059 . 0 0 "[ . 1 . 2]" 1
254 2 93 ILE HA 2 93 ILE HB 3.000 . 3.300 2.440 2.369 2.533 . 0 0 "[ . 1 . 2]" 1
255 2 95 VAL HA 2 95 VAL HB 3.000 . 3.300 2.576 2.430 3.061 . 0 0 "[ . 1 . 2]" 1
256 2 96 PHE HA 2 96 PHE QE 5.500 . 6.050 4.524 4.371 4.638 . 0 0 "[ . 1 . 2]" 1
257 1 55 TRP HZ2 1 93 ILE MD 4.500 . 4.950 3.659 1.988 4.493 . 0 0 "[ . 1 . 2]" 1
258 1 55 TRP HH2 1 93 ILE MD 4.500 . 4.950 3.920 2.137 4.569 . 0 0 "[ . 1 . 2]" 1
259 1 32 ALA HA 1 38 VAL MG2 5.000 . 5.500 4.634 3.291 5.549 0.049 11 0 "[ . 1 . 2]" 1
260 1 31 PHE QD 1 38 VAL MG2 5.500 . 6.050 3.005 2.165 3.769 . 0 0 "[ . 1 . 2]" 1
261 1 31 PHE QE 1 38 VAL MG2 5.000 . 5.500 4.405 3.625 5.585 0.085 2 0 "[ . 1 . 2]" 1
262 1 38 VAL MG2 1 56 LEU HA 4.500 . 4.950 4.461 3.933 4.975 0.025 18 0 "[ . 1 . 2]" 1
263 1 31 PHE HB3 1 38 VAL MG2 5.000 . 5.500 2.690 2.173 3.843 . 0 0 "[ . 1 . 2]" 1
264 1 38 VAL MG2 1 41 ILE HG13 5.500 . 6.050 4.242 3.848 4.899 . 0 0 "[ . 1 . 2]" 1
265 1 38 VAL MG1 1 41 ILE HG13 5.500 . 6.050 2.535 2.226 2.774 . 0 0 "[ . 1 . 2]" 1
266 1 38 VAL MG1 1 41 ILE HG12 4.500 . 4.950 2.101 1.961 2.346 . 0 0 "[ . 1 . 2]" 1
267 1 57 LEU MD1 1 58 VAL HA 6.500 . 7.150 6.080 5.722 6.190 . 0 0 "[ . 1 . 2]" 1
268 1 12 ILE HA 1 57 LEU MD1 4.500 . 4.950 2.821 2.499 3.085 . 0 0 "[ . 1 . 2]" 1
269 1 40 GLY H 1 57 LEU MD1 5.500 . 6.050 4.318 3.780 5.243 . 0 0 "[ . 1 . 2]" 1
270 1 57 LEU MD2 1 90 PHE HA 5.500 . 6.050 5.433 4.151 6.150 0.100 16 0 "[ . 1 . 2]" 1
271 1 71 ILE MD 1 72 ASP HB2 5.500 . 6.050 5.943 5.224 6.177 0.127 20 0 "[ . 1 . 2]" 1
272 1 71 ILE MD 1 72 ASP HA 4.500 . 4.950 5.023 3.804 5.226 0.276 3 0 "[ . 1 . 2]" 1
273 1 30 LEU HB3 1 71 ILE MD 5.000 . 5.500 3.833 2.689 5.567 0.067 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 1615
_Distance_constraint_stats_list.Viol_count 2239
_Distance_constraint_stats_list.Viol_total 4002.510
_Distance_constraint_stats_list.Viol_max 0.468
_Distance_constraint_stats_list.Viol_rms 0.0297
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0894
_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 8 HIS 0.203 0.105 2 0 "[ . 1 . 2]"
1 9 ASP 1.726 0.179 14 0 "[ . 1 . 2]"
1 10 ASN 0.416 0.114 14 0 "[ . 1 . 2]"
1 11 VAL 6.918 0.434 4 0 "[ . 1 . 2]"
1 12 ILE 6.840 0.369 6 0 "[ . 1 . 2]"
1 13 LEU 0.779 0.128 8 0 "[ . 1 . 2]"
1 14 GLU 1.534 0.209 12 0 "[ . 1 . 2]"
1 15 LEU 4.721 0.336 6 0 "[ . 1 . 2]"
1 16 THR 7.118 0.336 15 0 "[ . 1 . 2]"
1 17 VAL 7.957 0.301 11 0 "[ . 1 . 2]"
1 18 ARG 3.364 0.285 7 0 "[ . 1 . 2]"
1 19 ASN 1.798 0.201 9 0 "[ . 1 . 2]"
1 20 HIS 3.629 0.265 3 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.036 0.036 16 0 "[ . 1 . 2]"
1 23 VAL 5.512 0.265 3 0 "[ . 1 . 2]"
1 24 MET 0.495 0.098 2 0 "[ . 1 . 2]"
1 25 THR 1.305 0.176 9 0 "[ . 1 . 2]"
1 26 HIS 1.734 0.200 9 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 1.039 0.111 15 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 2.621 0.311 9 0 "[ . 1 . 2]"
1 31 PHE 0.934 0.173 8 0 "[ . 1 . 2]"
1 32 ALA 1.244 0.179 10 0 "[ . 1 . 2]"
1 33 ARG 2.817 0.213 15 0 "[ . 1 . 2]"
1 34 ARG 5.732 0.391 12 0 "[ . 1 . 2]"
1 35 ALA 3.415 0.143 19 0 "[ . 1 . 2]"
1 36 PHE 1.560 0.173 8 0 "[ . 1 . 2]"
1 37 ASN 0.414 0.132 14 0 "[ . 1 . 2]"
1 38 VAL 2.198 0.183 9 0 "[ . 1 . 2]"
1 39 GLU 1.154 0.185 20 0 "[ . 1 . 2]"
1 40 GLY 0.619 0.115 19 0 "[ . 1 . 2]"
1 41 ILE 0.382 0.131 7 0 "[ . 1 . 2]"
1 42 LEU 1.165 0.215 19 0 "[ . 1 . 2]"
1 43 CYS 0.276 0.112 12 0 "[ . 1 . 2]"
1 44 LEU 3.935 0.257 2 0 "[ . 1 . 2]"
1 45 PRO 0.916 0.155 17 0 "[ . 1 . 2]"
1 46 ILE 1.373 0.145 4 0 "[ . 1 . 2]"
1 47 GLN 3.398 0.274 12 0 "[ . 1 . 2]"
1 48 ASP 3.138 0.274 12 0 "[ . 1 . 2]"
1 49 SER 0.908 0.130 3 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 2.021 0.285 7 0 "[ . 1 . 2]"
1 52 SER 1.573 0.164 8 0 "[ . 1 . 2]"
1 53 HIS 3.313 0.301 11 0 "[ . 1 . 2]"
1 54 ILE 0.544 0.112 8 0 "[ . 1 . 2]"
1 55 TRP 2.183 0.257 2 0 "[ . 1 . 2]"
1 56 LEU 0.270 0.062 16 0 "[ . 1 . 2]"
1 57 LEU 7.815 0.241 4 0 "[ . 1 . 2]"
1 58 VAL 7.888 0.434 4 0 "[ . 1 . 2]"
1 59 ASN 3.934 0.202 17 0 "[ . 1 . 2]"
1 60 ASP 4.432 0.468 8 0 "[ . 1 . 2]"
1 61 ASP 3.767 0.231 4 0 "[ . 1 . 2]"
1 62 GLN 0.066 0.066 18 0 "[ . 1 . 2]"
1 63 ARG 2.312 0.210 14 0 "[ . 1 . 2]"
1 64 LEU 7.023 0.468 8 0 "[ . 1 . 2]"
1 65 GLU 1.139 0.132 20 0 "[ . 1 . 2]"
1 66 GLN 1.139 0.132 20 0 "[ . 1 . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.619 0.128 8 0 "[ . 1 . 2]"
1 69 SER 1.533 0.177 19 0 "[ . 1 . 2]"
1 70 GLN 2.964 0.311 9 0 "[ . 1 . 2]"
1 71 ILE 2.528 0.309 5 0 "[ . 1 . 2]"
1 72 ASP 1.664 0.404 6 0 "[ . 1 . 2]"
1 73 LYS 1.973 0.204 6 0 "[ . 1 . 2]"
1 74 LEU 2.287 0.272 6 0 "[ . 1 . 2]"
1 75 GLU 0.417 0.126 1 0 "[ . 1 . 2]"
1 76 ASP 1.407 0.203 1 0 "[ . 1 . 2]"
1 77 VAL 4.384 0.272 6 0 "[ . 1 . 2]"
1 78 VAL 3.231 0.140 11 0 "[ . 1 . 2]"
1 79 LYS 2.775 0.144 19 0 "[ . 1 . 2]"
1 80 VAL 6.034 0.404 6 0 "[ . 1 . 2]"
1 81 GLN 1.010 0.266 17 0 "[ . 1 . 2]"
1 82 ARG 0.731 0.126 19 0 "[ . 1 . 2]"
1 83 ASN 1.483 0.111 9 0 "[ . 1 . 2]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 2.950 0.369 6 0 "[ . 1 . 2]"
1 86 ASP 0.203 0.105 2 0 "[ . 1 . 2]"
1 87 PRO 0.193 0.106 8 0 "[ . 1 . 2]"
1 88 THR 4.052 0.281 16 0 "[ . 1 . 2]"
1 89 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PHE 1.231 0.215 19 0 "[ . 1 . 2]"
1 91 ASN 1.653 0.240 2 0 "[ . 1 . 2]"
1 92 LYS 2.784 0.281 16 0 "[ . 1 . 2]"
1 93 ILE 3.118 0.236 10 0 "[ . 1 . 2]"
1 94 ALA 0.819 0.140 14 0 "[ . 1 . 2]"
1 95 VAL 0.141 0.073 11 0 "[ . 1 . 2]"
1 96 PHE 0.635 0.242 3 0 "[ . 1 . 2]"
1 97 PHE 0.730 0.196 17 0 "[ . 1 . 2]"
1 98 GLN 0.571 0.242 3 0 "[ . 1 . 2]"
2 8 HIS 0.141 0.071 20 0 "[ . 1 . 2]"
2 9 ASP 1.964 0.221 14 0 "[ . 1 . 2]"
2 10 ASN 0.532 0.114 14 0 "[ . 1 . 2]"
2 11 VAL 6.849 0.429 4 0 "[ . 1 . 2]"
2 12 ILE 6.842 0.363 16 0 "[ . 1 . 2]"
2 13 LEU 0.763 0.135 8 0 "[ . 1 . 2]"
2 14 GLU 1.592 0.204 12 0 "[ . 1 . 2]"
2 15 LEU 4.704 0.339 15 0 "[ . 1 . 2]"
2 16 THR 7.118 0.339 15 0 "[ . 1 . 2]"
2 17 VAL 7.947 0.303 8 0 "[ . 1 . 2]"
2 18 ARG 3.423 0.285 7 0 "[ . 1 . 2]"
2 19 ASN 1.825 0.185 14 0 "[ . 1 . 2]"
2 20 HIS 3.614 0.264 3 0 "[ . 1 . 2]"
2 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 GLY 0.034 0.034 16 0 "[ . 1 . 2]"
2 23 VAL 5.375 0.264 3 0 "[ . 1 . 2]"
2 24 MET 0.471 0.092 8 0 "[ . 1 . 2]"
2 25 THR 1.317 0.169 9 0 "[ . 1 . 2]"
2 26 HIS 1.667 0.175 7 0 "[ . 1 . 2]"
2 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 CYS 1.166 0.124 14 0 "[ . 1 . 2]"
2 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 LEU 2.726 0.315 9 0 "[ . 1 . 2]"
2 31 PHE 0.996 0.158 8 0 "[ . 1 . 2]"
2 32 ALA 1.366 0.201 10 0 "[ . 1 . 2]"
2 33 ARG 2.927 0.227 15 0 "[ . 1 . 2]"
2 34 ARG 5.918 0.388 12 0 "[ . 1 . 2]"
2 35 ALA 3.571 0.156 19 0 "[ . 1 . 2]"
2 36 PHE 1.479 0.158 8 0 "[ . 1 . 2]"
2 37 ASN 0.437 0.137 14 0 "[ . 1 . 2]"
2 38 VAL 2.475 0.174 9 0 "[ . 1 . 2]"
2 39 GLU 1.004 0.184 20 0 "[ . 1 . 2]"
2 40 GLY 0.711 0.134 19 0 "[ . 1 . 2]"
2 41 ILE 0.467 0.151 7 0 "[ . 1 . 2]"
2 42 LEU 1.063 0.215 19 0 "[ . 1 . 2]"
2 43 CYS 0.289 0.110 12 0 "[ . 1 . 2]"
2 44 LEU 3.683 0.256 2 0 "[ . 1 . 2]"
2 45 PRO 0.920 0.139 17 0 "[ . 1 . 2]"
2 46 ILE 1.419 0.162 4 0 "[ . 1 . 2]"
2 47 GLN 3.470 0.273 12 0 "[ . 1 . 2]"
2 48 ASP 3.143 0.273 12 0 "[ . 1 . 2]"
2 49 SER 0.969 0.134 3 0 "[ . 1 . 2]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 LYS 2.009 0.285 7 0 "[ . 1 . 2]"
2 52 SER 1.569 0.164 8 0 "[ . 1 . 2]"
2 53 HIS 3.340 0.303 8 0 "[ . 1 . 2]"
2 54 ILE 0.515 0.111 8 0 "[ . 1 . 2]"
2 55 TRP 2.151 0.256 2 0 "[ . 1 . 2]"
2 56 LEU 0.298 0.065 16 0 "[ . 1 . 2]"
2 57 LEU 7.877 0.236 4 0 "[ . 1 . 2]"
2 58 VAL 7.941 0.429 4 0 "[ . 1 . 2]"
2 59 ASN 4.017 0.221 14 0 "[ . 1 . 2]"
2 60 ASP 4.472 0.443 8 0 "[ . 1 . 2]"
2 61 ASP 3.838 0.222 4 0 "[ . 1 . 2]"
2 62 GLN 0.075 0.075 18 0 "[ . 1 . 2]"
2 63 ARG 2.344 0.214 14 0 "[ . 1 . 2]"
2 64 LEU 7.090 0.443 8 0 "[ . 1 . 2]"
2 65 GLU 1.126 0.128 20 0 "[ . 1 . 2]"
2 66 GLN 1.126 0.128 20 0 "[ . 1 . 2]"
2 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 ILE 0.612 0.135 8 0 "[ . 1 . 2]"
2 69 SER 1.475 0.174 19 0 "[ . 1 . 2]"
2 70 GLN 2.963 0.315 9 0 "[ . 1 . 2]"
2 71 ILE 5.896 0.303 5 0 "[ . 1 . 2]"
2 72 ASP 4.895 0.393 6 0 "[ . 1 . 2]"
2 73 LYS 2.001 0.197 6 0 "[ . 1 . 2]"
2 74 LEU 2.336 0.253 6 0 "[ . 1 . 2]"
2 75 GLU 0.430 0.107 1 0 "[ . 1 . 2]"
2 76 ASP 1.444 0.187 1 0 "[ . 1 . 2]"
2 77 VAL 4.290 0.255 6 0 "[ . 1 . 2]"
2 78 VAL 3.303 0.144 9 0 "[ . 1 . 2]"
2 79 LYS 2.726 0.149 16 0 "[ . 1 . 2]"
2 80 VAL 5.995 0.393 6 0 "[ . 1 . 2]"
2 81 GLN 1.090 0.274 17 0 "[ . 1 . 2]"
2 82 ARG 0.743 0.123 19 0 "[ . 1 . 2]"
2 83 ASN 1.547 0.116 9 0 "[ . 1 . 2]"
2 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 SER 2.870 0.363 16 0 "[ . 1 . 2]"
2 86 ASP 0.141 0.071 20 0 "[ . 1 . 2]"
2 87 PRO 0.229 0.120 8 0 "[ . 1 . 2]"
2 88 THR 1.211 0.219 17 0 "[ . 1 . 2]"
2 89 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 PHE 1.704 0.216 7 0 "[ . 1 . 2]"
2 91 ASN 1.594 0.219 17 0 "[ . 1 . 2]"
2 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 93 ILE 3.173 0.225 10 0 "[ . 1 . 2]"
2 94 ALA 0.835 0.132 14 0 "[ . 1 . 2]"
2 95 VAL 0.125 0.081 11 0 "[ . 1 . 2]"
2 96 PHE 0.361 0.142 18 0 "[ . 1 . 2]"
2 97 PHE 0.770 0.199 17 0 "[ . 1 . 2]"
2 98 GLN 0.318 0.142 18 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 12 ILE MG 1 87 PRO HG2 4.500 . 4.950 3.658 2.471 5.037 0.087 19 0 "[ . 1 . 2]" 2
2 1 12 ILE MG 1 87 PRO HG3 5.500 . 6.050 4.844 4.026 5.471 . 0 0 "[ . 1 . 2]" 2
3 1 86 ASP HA 1 87 PRO HG3 4.500 . 4.950 4.465 4.041 4.723 . 0 0 "[ . 1 . 2]" 2
4 1 68 ILE MG 1 82 ARG HG2 4.500 . 4.950 3.202 2.251 4.540 . 0 0 "[ . 1 . 2]" 2
5 1 68 ILE MG 1 82 ARG HG3 4.500 . 4.950 3.515 2.657 4.991 0.041 9 0 "[ . 1 . 2]" 2
6 1 18 ARG HB2 1 78 VAL MG2 4.500 . 4.950 3.978 3.781 4.212 . 0 0 "[ . 1 . 2]" 2
7 1 74 LEU H 1 77 VAL MG2 5.000 . 5.500 4.276 3.798 4.893 . 0 0 "[ . 1 . 2]" 2
8 1 18 ARG HG2 1 76 ASP HA 4.500 . 4.950 3.453 2.809 3.872 . 0 0 "[ . 1 . 2]" 2
9 1 17 VAL HB 1 76 ASP HA 4.500 . 4.950 4.031 3.527 4.705 . 0 0 "[ . 1 . 2]" 2
10 1 71 ILE MG 1 72 ASP HB2 4.500 . 4.950 3.035 1.806 3.758 . 0 0 "[ . 1 . 2]" 2
11 1 71 ILE MG 1 72 ASP HB3 4.500 . 4.950 3.788 2.772 4.090 . 0 0 "[ . 1 . 2]" 2
12 1 64 LEU MD2 1 68 ILE HA 6.500 . 7.150 6.160 4.954 6.745 . 0 0 "[ . 1 . 2]" 2
13 1 64 LEU MD2 1 68 ILE H 6.000 . 6.600 5.300 4.102 5.846 . 0 0 "[ . 1 . 2]" 2
14 1 34 ARG H 1 64 LEU MD2 6.500 . 7.150 6.857 4.897 7.541 0.391 12 0 "[ . 1 . 2]" 2
15 1 11 VAL QG 1 68 ILE MD 4.500 . 4.950 2.388 1.959 3.291 . 0 0 "[ . 1 . 2]" 2
16 1 13 LEU MD1 1 56 LEU HA 5.500 . 6.050 5.632 4.860 6.020 . 0 0 "[ . 1 . 2]" 2
17 1 31 PHE HD2 1 56 LEU MD2 5.500 . 6.050 4.038 2.859 5.972 . 0 0 "[ . 1 . 2]" 2
18 1 31 PHE HE2 1 56 LEU MD2 5.500 . 6.050 3.357 2.233 5.186 . 0 0 "[ . 1 . 2]" 2
19 1 12 ILE HA 1 56 LEU MD2 5.500 . 6.050 3.977 2.682 5.635 . 0 0 "[ . 1 . 2]" 2
20 1 17 VAL MG2 1 54 ILE MD 5.500 . 6.050 1.912 1.825 2.014 . 0 0 "[ . 1 . 2]" 2
21 1 46 ILE HG13 1 49 SER HA 5.500 . 6.050 4.644 4.087 5.376 . 0 0 "[ . 1 . 2]" 2
22 1 44 LEU MD1 1 97 PHE HB3 4.500 . 4.950 3.854 2.782 4.984 0.034 12 0 "[ . 1 . 2]" 2
23 1 42 LEU QD 1 93 ILE HG13 5.500 . 6.050 2.762 1.934 3.764 . 0 0 "[ . 1 . 2]" 2
24 1 42 LEU QD 1 55 TRP HH2 5.500 . 6.050 4.461 3.564 5.117 . 0 0 "[ . 1 . 2]" 2
25 1 42 LEU QD 1 55 TRP HZ2 5.000 . 5.500 4.748 2.220 5.324 . 0 0 "[ . 1 . 2]" 2
26 1 34 ARG QD 1 61 ASP HA 5.000 . 5.500 5.124 4.471 5.708 0.208 19 0 "[ . 1 . 2]" 2
27 1 34 ARG HG2 1 35 ALA H 5.500 . 6.050 3.598 2.682 4.712 . 0 0 "[ . 1 . 2]" 2
28 2 55 TRP HZ2 2 93 ILE MD 4.500 . 4.950 3.663 1.985 4.506 . 0 0 "[ . 1 . 2]" 2
29 2 55 TRP HH2 2 93 ILE MD 4.500 . 4.950 3.919 2.132 4.575 . 0 0 "[ . 1 . 2]" 2
30 2 32 ALA HA 2 38 VAL MG2 5.000 . 5.500 4.640 3.312 5.558 0.058 11 0 "[ . 1 . 2]" 2
31 2 31 PHE QD 2 38 VAL MG2 5.500 . 6.050 3.002 2.163 3.766 . 0 0 "[ . 1 . 2]" 2
32 2 31 PHE QE 2 38 VAL MG2 5.000 . 5.500 4.399 3.616 5.581 0.081 2 0 "[ . 1 . 2]" 2
33 2 38 VAL MG2 2 56 LEU HA 4.500 . 4.950 4.458 3.933 4.976 0.026 18 0 "[ . 1 . 2]" 2
34 2 31 PHE HB3 2 38 VAL MG2 5.000 . 5.500 2.695 2.175 3.865 . 0 0 "[ . 1 . 2]" 2
35 2 38 VAL MG2 2 41 ILE HG13 5.500 . 6.050 4.242 3.855 4.899 . 0 0 "[ . 1 . 2]" 2
36 2 38 VAL MG1 2 41 ILE HG13 5.500 . 6.050 2.534 2.215 2.785 . 0 0 "[ . 1 . 2]" 2
37 2 38 VAL MG1 2 41 ILE HG12 4.500 . 4.950 2.102 1.964 2.348 . 0 0 "[ . 1 . 2]" 2
38 2 57 LEU MD1 2 58 VAL HA 6.500 . 7.150 6.085 5.740 6.195 . 0 0 "[ . 1 . 2]" 2
39 2 12 ILE HA 2 57 LEU MD1 4.500 . 4.950 2.825 2.538 3.081 . 0 0 "[ . 1 . 2]" 2
40 2 40 GLY H 2 57 LEU MD1 5.500 . 6.050 4.322 3.763 5.257 . 0 0 "[ . 1 . 2]" 2
41 2 57 LEU MD2 2 90 PHE HA 5.500 . 6.050 5.430 4.149 6.150 0.100 16 0 "[ . 1 . 2]" 2
42 2 71 ILE MD 2 72 ASP HB2 5.500 . 6.050 5.936 5.230 6.174 0.124 20 0 "[ . 1 . 2]" 2
43 2 71 ILE MD 2 72 ASP HA 4.500 . 4.950 5.022 3.816 5.232 0.282 3 0 "[ . 1 . 2]" 2
44 2 30 LEU HB3 2 71 ILE MD 5.000 . 5.500 3.840 2.710 5.571 0.071 1 0 "[ . 1 . 2]" 2
45 2 12 ILE MG 2 87 PRO HG2 4.500 . 4.950 3.654 2.462 5.060 0.110 19 0 "[ . 1 . 2]" 2
46 2 12 ILE MG 2 87 PRO HG3 5.500 . 6.050 4.839 4.021 5.469 . 0 0 "[ . 1 . 2]" 2
47 2 86 ASP HA 2 87 PRO HG3 4.500 . 4.950 4.459 4.048 4.735 . 0 0 "[ . 1 . 2]" 2
48 2 68 ILE MG 2 82 ARG HG2 4.500 . 4.950 3.199 2.256 4.545 . 0 0 "[ . 1 . 2]" 2
49 2 68 ILE MG 2 82 ARG HG3 4.500 . 4.950 3.510 2.644 4.994 0.044 9 0 "[ . 1 . 2]" 2
50 2 18 ARG HB2 2 78 VAL MG2 4.500 . 4.950 3.979 3.788 4.225 . 0 0 "[ . 1 . 2]" 2
51 2 74 LEU H 2 77 VAL MG2 5.000 . 5.500 4.267 3.783 4.895 . 0 0 "[ . 1 . 2]" 2
52 2 18 ARG HG2 2 76 ASP HA 4.500 . 4.950 3.457 2.813 3.882 . 0 0 "[ . 1 . 2]" 2
53 2 17 VAL HB 2 76 ASP HA 4.500 . 4.950 4.030 3.519 4.700 . 0 0 "[ . 1 . 2]" 2
54 2 71 ILE MG 2 72 ASP HB2 4.500 . 4.950 3.031 1.797 3.749 0.003 6 0 "[ . 1 . 2]" 2
55 2 71 ILE MG 2 72 ASP HB3 4.500 . 4.950 3.784 2.755 4.053 . 0 0 "[ . 1 . 2]" 2
56 2 64 LEU MD2 2 68 ILE HA 6.500 . 7.150 6.161 4.949 6.732 . 0 0 "[ . 1 . 2]" 2
57 2 64 LEU MD2 2 68 ILE H 6.000 . 6.600 5.302 4.101 5.845 . 0 0 "[ . 1 . 2]" 2
58 2 34 ARG H 2 64 LEU MD2 6.500 . 7.150 6.858 4.922 7.538 0.388 12 0 "[ . 1 . 2]" 2
59 2 11 VAL QG 2 68 ILE MD 4.500 . 4.950 2.388 1.957 3.285 . 0 0 "[ . 1 . 2]" 2
60 2 13 LEU H 2 58 VAL MG1 5.000 . 5.500 4.009 3.438 4.352 . 0 0 "[ . 1 . 2]" 2
61 2 13 LEU MD1 2 56 LEU HA 5.500 . 6.050 5.629 4.864 6.023 . 0 0 "[ . 1 . 2]" 2
62 2 31 PHE HD2 2 56 LEU MD2 5.500 . 6.050 4.046 2.863 5.967 . 0 0 "[ . 1 . 2]" 2
63 2 31 PHE HE2 2 56 LEU MD2 5.500 . 6.050 3.356 2.240 5.173 . 0 0 "[ . 1 . 2]" 2
64 2 12 ILE HA 2 56 LEU MD2 5.500 . 6.050 3.979 2.683 5.631 . 0 0 "[ . 1 . 2]" 2
65 2 14 GLU HB2 2 55 TRP HA 5.500 . 6.050 3.804 3.326 4.343 . 0 0 "[ . 1 . 2]" 2
66 2 17 VAL MG2 2 54 ILE MD 5.500 . 6.050 1.912 1.824 2.015 . 0 0 "[ . 1 . 2]" 2
67 2 46 ILE HG13 2 49 SER HA 5.500 . 6.050 4.649 4.098 5.353 . 0 0 "[ . 1 . 2]" 2
68 2 44 LEU MD1 2 97 PHE HB3 4.500 . 4.950 3.771 2.669 4.970 0.020 8 0 "[ . 1 . 2]" 2
69 2 42 LEU QD 2 93 ILE HG13 5.500 . 6.050 2.760 1.932 3.767 . 0 0 "[ . 1 . 2]" 2
70 2 42 LEU QD 2 55 TRP HH2 5.500 . 6.050 4.458 3.564 5.118 . 0 0 "[ . 1 . 2]" 2
71 2 42 LEU QD 2 55 TRP HZ2 5.000 . 5.500 4.725 2.219 5.319 . 0 0 "[ . 1 . 2]" 2
72 2 34 ARG QD 2 61 ASP HA 5.000 . 5.500 5.129 4.482 5.682 0.182 19 0 "[ . 1 . 2]" 2
73 2 34 ARG HG2 2 35 ALA H 5.500 . 6.050 3.595 2.685 4.713 . 0 0 "[ . 1 . 2]" 2
74 1 9 ASP HA 1 59 ASN HB2 4.500 . 4.950 4.915 4.138 5.116 0.166 6 0 "[ . 1 . 2]" 2
75 1 9 ASP HA 1 59 ASN HB3 5.000 . 5.500 5.158 3.906 5.679 0.179 14 0 "[ . 1 . 2]" 2
76 1 10 ASN HA 1 11 VAL H 3.500 . 3.850 2.329 2.110 2.463 . 0 0 "[ . 1 . 2]" 2
77 1 10 ASN HA 1 11 VAL MG2 4.500 . 4.950 3.779 3.484 4.353 . 0 0 "[ . 1 . 2]" 2
78 1 10 ASN HB2 1 11 VAL H 4.500 . 4.950 2.681 2.225 3.430 . 0 0 "[ . 1 . 2]" 2
79 1 10 ASN HB2 1 11 VAL QG 4.000 . 4.400 4.190 3.921 4.453 0.053 20 0 "[ . 1 . 2]" 2
80 1 10 ASN HB3 1 11 VAL H 5.000 . 5.500 3.921 3.610 4.269 . 0 0 "[ . 1 . 2]" 2
81 1 10 ASN HB3 1 11 VAL QG 5.000 . 5.500 4.972 4.797 5.127 . 0 0 "[ . 1 . 2]" 2
82 1 10 ASN HD21 1 57 LEU MD1 4.500 . 4.950 3.932 2.027 4.994 0.044 1 0 "[ . 1 . 2]" 2
83 1 10 ASN HD21 1 57 LEU MD2 4.500 . 4.950 3.122 1.979 4.998 0.048 8 0 "[ . 1 . 2]" 2
84 1 10 ASN HA 1 58 VAL MG1 5.500 . 6.050 4.760 4.513 5.077 . 0 0 "[ . 1 . 2]" 2
85 1 10 ASN HA 1 59 ASN HA 4.500 . 4.950 2.020 1.686 2.524 0.114 14 0 "[ . 1 . 2]" 2
86 1 10 ASN HA 1 59 ASN HB2 5.000 . 5.500 4.059 3.736 4.387 . 0 0 "[ . 1 . 2]" 2
87 1 10 ASN HA 1 59 ASN HB3 5.000 . 5.500 3.321 2.660 3.733 . 0 0 "[ . 1 . 2]" 2
88 1 11 VAL HA 1 12 ILE H 2.500 . 2.750 2.204 2.083 2.334 . 0 0 "[ . 1 . 2]" 2
89 1 11 VAL HA 1 12 ILE HG12 4.500 . 4.950 3.352 3.036 3.582 . 0 0 "[ . 1 . 2]" 2
90 1 11 VAL HA 1 12 ILE MD 4.500 . 4.950 4.015 3.601 4.411 . 0 0 "[ . 1 . 2]" 2
91 1 11 VAL HB 1 12 ILE H 4.500 . 4.950 2.793 2.600 3.090 . 0 0 "[ . 1 . 2]" 2
92 1 11 VAL MG2 1 12 ILE H 4.500 . 4.950 3.719 3.456 3.946 . 0 0 "[ . 1 . 2]" 2
93 1 11 VAL MG2 1 13 LEU H 5.500 . 6.050 3.516 2.617 3.973 . 0 0 "[ . 1 . 2]" 2
94 1 11 VAL H 1 57 LEU MD1 5.000 2.300 5.450 5.499 4.881 5.691 0.241 4 0 "[ . 1 . 2]" 2
95 1 11 VAL HA 1 57 LEU MD1 5.500 . 6.050 5.831 4.979 6.062 0.012 15 0 "[ . 1 . 2]" 2
96 1 11 VAL H 1 58 VAL MG1 4.500 . 4.950 3.719 3.471 3.888 . 0 0 "[ . 1 . 2]" 2
97 1 11 VAL HA 1 58 VAL MG1 6.500 . 7.150 5.529 5.331 5.702 . 0 0 "[ . 1 . 2]" 2
98 1 11 VAL MG2 1 58 VAL HB 4.000 . 4.400 4.630 4.503 4.834 0.434 4 0 "[ . 1 . 2]" 2
99 1 11 VAL H 1 59 ASN HA 5.000 . 5.500 3.238 2.489 3.598 . 0 0 "[ . 1 . 2]" 2
100 1 11 VAL MG1 1 59 ASN HA 5.000 . 5.500 3.528 2.458 4.033 . 0 0 "[ . 1 . 2]" 2
101 1 11 VAL MG2 1 59 ASN HA 5.500 . 6.050 3.480 2.829 3.859 . 0 0 "[ . 1 . 2]" 2
102 1 11 VAL QG 1 59 ASN HB2 5.000 . 5.500 4.670 4.102 5.005 . 0 0 "[ . 1 . 2]" 2
103 1 11 VAL QG 1 59 ASN HB3 5.500 . 6.050 4.915 4.345 5.194 . 0 0 "[ . 1 . 2]" 2
104 1 11 VAL MG1 1 60 ASP HA 4.000 . 4.400 2.898 2.180 3.912 . 0 0 "[ . 1 . 2]" 2
105 1 11 VAL MG1 1 60 ASP HB3 4.000 . 4.400 2.758 1.760 3.408 0.040 20 0 "[ . 1 . 2]" 2
106 1 11 VAL MG2 1 60 ASP HA 4.000 . 4.400 3.132 2.810 3.782 . 0 0 "[ . 1 . 2]" 2
107 1 11 VAL MG2 1 60 ASP HB3 4.000 . 4.400 3.662 1.864 4.585 0.185 5 0 "[ . 1 . 2]" 2
108 1 12 ILE MD 1 13 LEU H 4.500 . 4.950 4.281 4.129 4.409 . 0 0 "[ . 1 . 2]" 2
109 1 12 ILE HB 1 57 LEU MD1 4.500 . 4.950 4.895 4.524 5.088 0.138 15 0 "[ . 1 . 2]" 2
110 1 12 ILE HG12 1 57 LEU MD1 4.000 . 4.400 4.452 4.178 4.535 0.135 2 0 "[ . 1 . 2]" 2
111 1 12 ILE MG 1 57 LEU HA 4.500 . 4.950 4.683 4.356 5.014 0.064 20 0 "[ . 1 . 2]" 2
112 1 12 ILE MD 1 57 LEU HA 4.500 . 4.950 3.252 2.915 3.609 . 0 0 "[ . 1 . 2]" 2
113 1 12 ILE MD 1 57 LEU MD1 4.000 . 4.400 2.174 1.973 2.263 . 0 0 "[ . 1 . 2]" 2
114 1 12 ILE HA 1 58 VAL MG1 5.500 . 6.050 5.262 4.664 5.465 . 0 0 "[ . 1 . 2]" 2
115 1 12 ILE HB 1 83 ASN HB2 4.500 . 4.950 2.158 1.735 3.008 0.065 15 0 "[ . 1 . 2]" 2
116 1 12 ILE HB 1 83 ASN HB3 4.500 . 4.950 3.336 2.917 4.019 . 0 0 "[ . 1 . 2]" 2
117 1 12 ILE HG12 1 83 ASN HB2 4.500 . 4.950 4.286 3.635 4.883 . 0 0 "[ . 1 . 2]" 2
118 1 12 ILE HG12 1 83 ASN HB3 4.500 . 4.950 4.856 4.464 5.061 0.111 9 0 "[ . 1 . 2]" 2
119 1 12 ILE MG 1 83 ASN H 5.500 . 6.050 4.371 4.009 4.786 . 0 0 "[ . 1 . 2]" 2
120 1 12 ILE MG 1 83 ASN HB2 4.500 . 4.950 3.187 2.610 3.989 . 0 0 "[ . 1 . 2]" 2
121 1 12 ILE MG 1 83 ASN HB3 4.500 . 4.950 4.223 3.540 5.047 0.097 5 0 "[ . 1 . 2]" 2
122 1 12 ILE MD 1 83 ASN HB2 5.500 . 6.050 4.974 4.654 5.692 . 0 0 "[ . 1 . 2]" 2
123 1 12 ILE MD 1 83 ASN HB3 5.500 . 6.050 5.638 5.255 6.100 0.050 20 0 "[ . 1 . 2]" 2
124 1 12 ILE MG 1 85 SER HB2 5.500 . 6.050 5.170 4.925 5.651 . 0 0 "[ . 1 . 2]" 2
125 1 12 ILE MG 1 85 SER HB3 5.500 . 6.050 5.203 3.742 6.419 0.369 6 0 "[ . 1 . 2]" 2
126 1 13 LEU MD1 1 14 GLU H 5.500 . 6.050 5.252 3.277 5.593 . 0 0 "[ . 1 . 2]" 2
127 1 13 LEU MD2 1 14 GLU H 4.500 . 4.950 3.762 2.790 4.081 . 0 0 "[ . 1 . 2]" 2
128 1 13 LEU MD1 1 31 PHE QE 4.000 . 4.400 2.429 1.708 3.419 0.092 3 0 "[ . 1 . 2]" 2
129 1 13 LEU MD2 1 31 PHE QE 4.500 . 4.950 4.336 2.829 4.849 . 0 0 "[ . 1 . 2]" 2
130 1 13 LEU MD1 1 68 ILE HA 4.500 . 4.950 4.512 4.011 5.078 0.128 8 0 "[ . 1 . 2]" 2
131 1 13 LEU MD1 1 82 ARG HA 4.500 . 4.950 4.770 4.033 5.036 0.086 9 0 "[ . 1 . 2]" 2
132 1 13 LEU MD2 1 82 ARG HA 4.000 . 4.400 2.349 1.951 3.982 . 0 0 "[ . 1 . 2]" 2
133 1 13 LEU MD2 1 82 ARG HB2 4.000 . 4.400 3.703 2.401 4.510 0.110 5 0 "[ . 1 . 2]" 2
134 1 14 GLU HA 1 15 LEU MD2 4.500 . 4.950 4.509 3.458 5.159 0.209 12 0 "[ . 1 . 2]" 2
135 1 14 GLU HA 1 55 TRP HA 2.500 . 2.750 2.461 2.122 2.798 0.048 9 0 "[ . 1 . 2]" 2
136 1 15 LEU QB 1 27 VAL MG1 5.000 . 5.500 3.501 2.289 4.449 . 0 0 "[ . 1 . 2]" 2
137 1 15 LEU HA 1 54 ILE MD 5.000 . 5.500 5.374 4.941 5.612 0.112 8 0 "[ . 1 . 2]" 2
138 1 15 LEU MD2 1 54 ILE H 5.000 . 5.500 5.236 4.493 5.562 0.062 5 0 "[ . 1 . 2]" 2
139 1 15 LEU HA 1 80 VAL HA 2.500 . 2.750 2.319 1.842 2.805 0.055 15 0 "[ . 1 . 2]" 2
140 1 15 LEU HA 1 80 VAL HB 4.000 . 4.400 4.207 3.855 4.527 0.127 3 0 "[ . 1 . 2]" 2
141 1 15 LEU HA 1 80 VAL MG1 5.500 . 6.050 5.000 3.230 5.369 . 0 0 "[ . 1 . 2]" 2
142 1 15 LEU HA 1 80 VAL MG2 4.000 . 4.400 3.451 2.904 4.736 0.336 6 0 "[ . 1 . 2]" 2
143 1 15 LEU HG 1 80 VAL HA 5.000 . 5.500 5.055 4.541 5.534 0.034 9 0 "[ . 1 . 2]" 2
144 1 15 LEU QB 1 80 VAL HA 4.000 . 4.400 3.350 2.224 4.567 0.167 3 0 "[ . 1 . 2]" 2
145 1 16 THR HA 1 17 VAL MG1 5.500 . 6.050 3.745 3.516 3.982 . 0 0 "[ . 1 . 2]" 2
146 1 16 THR MG 1 17 VAL HB 5.000 . 5.500 5.687 5.510 5.778 0.278 14 0 "[ . 1 . 2]" 2
147 1 16 THR HA 1 53 HIS HA 2.500 . 2.750 2.241 1.784 2.736 0.016 5 0 "[ . 1 . 2]" 2
148 1 16 THR MG 1 53 HIS HA 4.500 . 4.950 3.672 2.807 4.339 . 0 0 "[ . 1 . 2]" 2
149 1 16 THR H 1 77 VAL MG2 4.500 . 4.950 4.935 4.604 5.098 0.148 10 0 "[ . 1 . 2]" 2
150 1 16 THR HA 1 78 VAL MG2 4.500 . 4.950 5.002 4.897 5.039 0.089 13 0 "[ . 1 . 2]" 2
151 1 16 THR HB 1 78 VAL QG 4.500 . 4.950 3.743 3.334 4.068 . 0 0 "[ . 1 . 2]" 2
152 1 16 THR MG 1 78 VAL H 4.500 . 4.950 3.971 3.627 4.271 . 0 0 "[ . 1 . 2]" 2
153 1 16 THR MG 1 78 VAL HA 5.000 . 5.500 5.168 4.717 5.552 0.052 7 0 "[ . 1 . 2]" 2
154 1 16 THR HB 1 79 LYS HB2 5.000 . 5.500 2.074 1.768 2.755 0.032 13 0 "[ . 1 . 2]" 2
155 1 16 THR HB 1 79 LYS HB3 5.500 . 6.050 3.754 3.492 4.427 . 0 0 "[ . 1 . 2]" 2
156 1 16 THR MG 1 79 LYS H 4.500 . 4.950 3.616 3.020 4.086 . 0 0 "[ . 1 . 2]" 2
157 1 16 THR MG 1 79 LYS HG3 5.000 . 5.500 3.842 3.350 4.949 . 0 0 "[ . 1 . 2]" 2
158 1 16 THR MG 1 79 LYS QB 5.000 . 5.500 3.361 2.832 4.057 . 0 0 "[ . 1 . 2]" 2
159 1 16 THR MG 1 79 LYS QE 5.500 . 6.050 4.187 2.317 5.925 . 0 0 "[ . 1 . 2]" 2
160 1 17 VAL MG1 1 18 ARG H 4.500 . 4.950 4.107 4.011 4.207 . 0 0 "[ . 1 . 2]" 2
161 1 17 VAL MG2 1 18 ARG H 3.500 . 3.850 3.473 3.232 3.757 . 0 0 "[ . 1 . 2]" 2
162 1 17 VAL MG2 1 18 ARG HA 5.000 . 5.500 3.661 3.400 4.034 . 0 0 "[ . 1 . 2]" 2
163 1 17 VAL HA 1 23 VAL MG2 4.500 . 4.950 4.999 4.669 5.168 0.218 16 0 "[ . 1 . 2]" 2
164 1 17 VAL MG2 1 23 VAL H 5.000 . 5.500 5.069 4.676 5.363 . 0 0 "[ . 1 . 2]" 2
165 1 17 VAL MG2 1 23 VAL HB 5.500 . 6.050 2.846 2.422 3.375 . 0 0 "[ . 1 . 2]" 2
166 1 17 VAL MG2 1 23 VAL MG1 5.500 . 6.050 2.753 1.776 3.994 0.024 7 0 "[ . 1 . 2]" 2
167 1 17 VAL MG2 1 23 VAL MG2 5.000 . 5.500 2.410 1.963 2.943 . 0 0 "[ . 1 . 2]" 2
168 1 17 VAL MG2 1 52 SER HB2 4.000 . 4.400 3.669 2.283 4.414 0.014 1 0 "[ . 1 . 2]" 2
169 1 17 VAL MG1 1 53 HIS HA 4.000 . 4.400 4.533 4.385 4.701 0.301 11 0 "[ . 1 . 2]" 2
170 1 17 VAL MG2 1 76 ASP HA 5.500 . 6.050 5.121 4.639 5.634 . 0 0 "[ . 1 . 2]" 2
171 1 17 VAL HA 1 77 VAL HA 4.500 . 4.950 2.560 2.192 3.050 . 0 0 "[ . 1 . 2]" 2
172 1 17 VAL HA 1 77 VAL MG2 4.500 . 4.950 4.121 3.857 4.417 . 0 0 "[ . 1 . 2]" 2
173 1 17 VAL H 1 78 VAL MG2 4.500 . 4.950 4.345 4.120 4.503 . 0 0 "[ . 1 . 2]" 2
174 1 17 VAL HA 1 78 VAL HB 4.500 . 4.950 4.006 3.548 4.230 . 0 0 "[ . 1 . 2]" 2
175 1 17 VAL HA 1 78 VAL MG2 4.500 . 4.950 2.402 2.124 2.628 . 0 0 "[ . 1 . 2]" 2
176 1 18 ARG H 1 23 VAL MG2 4.500 . 4.950 4.442 3.994 4.964 0.014 16 0 "[ . 1 . 2]" 2
177 1 18 ARG HG3 1 76 ASP HA 4.500 . 4.950 3.575 2.810 4.183 . 0 0 "[ . 1 . 2]" 2
178 1 18 ARG HD3 1 76 ASP HA 4.500 . 4.950 4.584 3.564 5.041 0.091 11 0 "[ . 1 . 2]" 2
179 1 18 ARG H 1 78 VAL MG2 4.500 . 4.950 2.355 2.078 2.569 . 0 0 "[ . 1 . 2]" 2
180 1 18 ARG HD3 1 78 VAL MG1 4.500 . 4.950 5.025 4.941 5.090 0.140 11 0 "[ . 1 . 2]" 2
181 1 18 ARG HD3 1 78 VAL MG2 4.500 . 4.950 3.427 3.256 3.647 . 0 0 "[ . 1 . 2]" 2
182 1 20 HIS HA 1 23 VAL MG1 6.000 . 6.600 5.041 3.759 6.278 . 0 0 "[ . 1 . 2]" 2
183 1 20 HIS HB3 1 23 VAL MG1 4.500 . 4.950 3.918 1.922 5.215 0.265 3 0 "[ . 1 . 2]" 2
184 1 20 HIS HD2 1 23 VAL MG1 4.500 . 4.950 4.133 2.384 4.986 0.036 13 0 "[ . 1 . 2]" 2
185 1 22 GLY H 1 23 VAL MG2 5.000 . 5.500 3.747 3.265 4.116 . 0 0 "[ . 1 . 2]" 2
186 1 23 VAL MG1 1 24 MET H 5.000 . 5.500 3.859 3.524 4.157 . 0 0 "[ . 1 . 2]" 2
187 1 23 VAL HA 1 26 HIS HD2 4.500 . 4.950 4.205 3.348 4.967 0.017 9 0 "[ . 1 . 2]" 2
188 1 23 VAL MG1 1 26 HIS HD2 5.000 . 5.500 5.442 4.724 5.700 0.200 9 0 "[ . 1 . 2]" 2
189 1 23 VAL MG2 1 26 HIS H 5.000 . 5.500 5.120 4.794 5.484 . 0 0 "[ . 1 . 2]" 2
190 1 23 VAL MG2 1 26 HIS QB 4.500 . 4.950 4.676 4.331 5.013 0.063 8 0 "[ . 1 . 2]" 2
191 1 23 VAL MG1 1 76 ASP HA 4.500 . 4.950 3.567 2.309 4.264 . 0 0 "[ . 1 . 2]" 2
192 1 23 VAL MG1 1 76 ASP HB2 4.500 . 4.950 2.712 1.961 3.648 . 0 0 "[ . 1 . 2]" 2
193 1 23 VAL MG1 1 76 ASP HB3 4.500 . 4.950 2.244 1.779 3.477 0.021 18 0 "[ . 1 . 2]" 2
194 1 23 VAL MG2 1 76 ASP HA 4.500 . 4.950 4.296 3.288 5.153 0.203 1 0 "[ . 1 . 2]" 2
195 1 25 THR MG 1 26 HIS H 4.500 . 4.950 3.948 3.510 4.110 . 0 0 "[ . 1 . 2]" 2
196 1 25 THR MG 1 26 HIS HA 5.000 . 5.500 4.394 3.505 5.579 0.079 7 0 "[ . 1 . 2]" 2
197 1 25 THR MG 1 26 HIS HD2 4.500 . 4.950 4.081 3.607 5.126 0.176 9 0 "[ . 1 . 2]" 2
198 1 25 THR MG 1 28 CYS HB3 5.000 . 5.500 5.202 4.291 5.596 0.096 20 0 "[ . 1 . 2]" 2
199 1 26 HIS H 1 27 VAL MG1 4.500 . 4.950 4.155 3.805 4.322 . 0 0 "[ . 1 . 2]" 2
200 1 26 HIS HA 1 27 VAL H 3.800 . 4.180 3.594 3.565 3.626 . 0 0 "[ . 1 . 2]" 2
201 1 26 HIS HB3 1 27 VAL H 4.500 . 4.950 3.435 2.400 3.761 . 0 0 "[ . 1 . 2]" 2
202 1 26 HIS HB3 1 27 VAL MG1 4.500 . 4.950 3.907 2.990 4.178 . 0 0 "[ . 1 . 2]" 2
203 1 26 HIS HA 1 30 LEU MD2 4.500 . 4.950 3.720 2.877 4.829 . 0 0 "[ . 1 . 2]" 2
204 1 27 VAL HB 1 28 CYS HA 4.500 . 4.950 4.693 4.574 4.842 . 0 0 "[ . 1 . 2]" 2
205 1 27 VAL MG1 1 28 CYS H 4.500 . 4.950 3.870 3.738 3.941 . 0 0 "[ . 1 . 2]" 2
206 1 27 VAL MG1 1 28 CYS HA 5.500 . 6.050 5.527 5.498 5.562 . 0 0 "[ . 1 . 2]" 2
207 1 27 VAL MG2 1 28 CYS HA 4.500 . 4.950 3.260 3.176 3.331 . 0 0 "[ . 1 . 2]" 2
208 1 27 VAL HA 1 30 LEU QD 5.000 . 5.500 3.280 2.776 4.286 . 0 0 "[ . 1 . 2]" 2
209 1 27 VAL MG2 1 31 PHE QD 5.500 . 6.050 4.002 3.530 5.042 . 0 0 "[ . 1 . 2]" 2
210 1 27 VAL MG2 1 31 PHE QE 5.500 . 6.050 4.081 2.958 5.312 . 0 0 "[ . 1 . 2]" 2
211 1 28 CYS HA 1 41 ILE MD 4.500 . 4.950 4.496 3.507 4.922 . 0 0 "[ . 1 . 2]" 2
212 1 29 GLY QA 1 30 LEU H 3.800 . 4.180 2.696 2.612 2.824 . 0 0 "[ . 1 . 2]" 2
213 1 29 GLY QA 1 32 ALA MB 4.500 . 4.950 2.795 2.290 3.323 . 0 0 "[ . 1 . 2]" 2
214 1 30 LEU HB2 1 31 PHE H 5.000 . 5.500 2.932 2.573 3.528 . 0 0 "[ . 1 . 2]" 2
215 1 30 LEU HB3 1 31 PHE H 5.000 . 5.500 3.297 2.484 3.835 . 0 0 "[ . 1 . 2]" 2
216 1 30 LEU MD2 1 31 PHE H 4.500 . 4.950 4.409 4.171 4.840 . 0 0 "[ . 1 . 2]" 2
217 1 30 LEU H 1 32 ALA MB 5.500 . 6.050 4.802 4.442 5.051 . 0 0 "[ . 1 . 2]" 2
218 1 30 LEU HA 1 33 ARG HG3 4.500 . 4.950 3.679 3.242 4.252 . 0 0 "[ . 1 . 2]" 2
219 1 30 LEU HA 1 33 ARG HD2 5.500 . 6.050 2.926 1.978 3.385 . 0 0 "[ . 1 . 2]" 2
220 1 30 LEU HA 1 33 ARG HD3 5.500 . 6.050 2.541 2.203 2.816 . 0 0 "[ . 1 . 2]" 2
221 1 30 LEU MD1 1 33 ARG QD 4.000 . 4.400 2.312 1.835 4.481 0.081 5 0 "[ . 1 . 2]" 2
222 1 30 LEU MD2 1 33 ARG QD 4.500 . 4.950 3.247 1.800 3.725 . 0 0 "[ . 1 . 2]" 2
223 1 30 LEU MD1 1 70 GLN H 5.500 . 6.050 4.554 3.937 6.090 0.040 5 0 "[ . 1 . 2]" 2
224 1 30 LEU MD1 1 70 GLN HG2 5.000 . 5.500 4.476 3.893 5.369 . 0 0 "[ . 1 . 2]" 2
225 1 30 LEU MD2 1 70 GLN H 5.500 . 6.050 6.107 5.948 6.361 0.311 9 0 "[ . 1 . 2]" 2
226 1 30 LEU MD2 1 70 GLN HG2 5.500 . 6.050 5.514 4.455 6.046 . 0 0 "[ . 1 . 2]" 2
227 1 30 LEU MD2 1 70 GLN HE22 5.500 . 6.050 2.374 1.755 3.761 0.045 5 0 "[ . 1 . 2]" 2
228 1 30 LEU HA 1 71 ILE MG 5.500 . 6.050 6.052 5.779 6.359 0.309 5 0 "[ . 1 . 2]" 2
229 1 30 LEU MD1 1 71 ILE H 5.500 . 6.050 3.628 2.811 4.282 . 0 0 "[ . 1 . 2]" 2
230 1 30 LEU MD1 1 71 ILE HA 5.500 . 6.050 4.060 2.759 4.481 . 0 0 "[ . 1 . 2]" 2
231 1 30 LEU MD2 1 71 ILE H 5.500 . 6.050 4.422 4.155 5.069 . 0 0 "[ . 1 . 2]" 2
232 1 30 LEU MD2 1 71 ILE HA 5.500 . 6.050 3.496 3.062 4.332 . 0 0 "[ . 1 . 2]" 2
233 1 31 PHE H 1 32 ALA MB 4.500 . 4.950 4.223 4.116 4.423 . 0 0 "[ . 1 . 2]" 2
234 1 31 PHE HA 1 36 PHE HB3 6.500 . 7.150 7.091 6.792 7.323 0.173 8 0 "[ . 1 . 2]" 2
235 1 31 PHE HD2 1 56 LEU MD1 5.000 . 5.500 3.636 1.937 5.128 . 0 0 "[ . 1 . 2]" 2
236 1 31 PHE HE2 1 56 LEU MD1 4.500 . 4.950 3.634 2.434 4.992 0.042 7 0 "[ . 1 . 2]" 2
237 1 31 PHE QE 1 64 LEU MD1 4.500 . 4.950 3.136 1.786 3.885 0.014 4 0 "[ . 1 . 2]" 2
238 1 31 PHE QE 1 64 LEU MD2 5.500 . 6.050 3.596 2.022 4.948 . 0 0 "[ . 1 . 2]" 2
239 1 32 ALA MB 1 33 ARG HB3 4.500 . 4.950 3.815 3.509 3.993 . 0 0 "[ . 1 . 2]" 2
240 1 32 ALA MB 1 33 ARG QD 4.500 . 4.950 4.932 4.468 5.129 0.179 10 0 "[ . 1 . 2]" 2
241 1 33 ARG H 1 34 ARG HB2 5.000 . 5.500 4.826 4.425 5.713 0.213 15 0 "[ . 1 . 2]" 2
242 1 33 ARG H 1 34 ARG HB3 5.000 . 5.500 4.837 4.601 5.270 . 0 0 "[ . 1 . 2]" 2
243 1 33 ARG HA 1 34 ARG H 3.800 . 4.180 3.371 3.297 3.433 . 0 0 "[ . 1 . 2]" 2
244 1 33 ARG HB2 1 34 ARG H 4.500 . 4.950 4.345 4.257 4.419 . 0 0 "[ . 1 . 2]" 2
245 1 33 ARG HB3 1 34 ARG H 4.500 . 4.950 4.313 4.158 4.398 . 0 0 "[ . 1 . 2]" 2
246 1 34 ARG H 1 35 ALA MB . . 4.950 5.038 4.982 5.093 0.143 19 0 "[ . 1 . 2]" 2
247 1 34 ARG HA 1 35 ALA H 4.000 . 4.400 3.573 3.546 3.606 . 0 0 "[ . 1 . 2]" 2
248 1 34 ARG HA 1 35 ALA MB 4.500 . 4.950 4.194 4.052 4.312 . 0 0 "[ . 1 . 2]" 2
249 1 34 ARG HB2 1 35 ALA MB 4.500 . 4.950 4.838 3.634 5.010 0.060 17 0 "[ . 1 . 2]" 2
250 1 34 ARG HG3 1 35 ALA H 5.500 . 6.050 4.028 1.699 4.849 0.101 15 0 "[ . 1 . 2]" 2
251 1 35 ALA MB 1 36 PHE HA 5.500 . 6.050 3.967 3.709 4.169 . 0 0 "[ . 1 . 2]" 2
252 1 35 ALA MB 1 36 PHE HB3 5.000 . 5.500 3.928 3.560 4.893 . 0 0 "[ . 1 . 2]" 2
253 1 37 ASN HB2 1 38 VAL MG1 5.500 . 6.050 6.014 5.816 6.182 0.132 14 0 "[ . 1 . 2]" 2
254 1 37 ASN HB3 1 38 VAL MG1 5.500 . 6.050 5.453 5.116 5.769 . 0 0 "[ . 1 . 2]" 2
255 1 37 ASN HB3 1 38 VAL MG2 5.500 . 6.050 4.170 3.660 5.105 . 0 0 "[ . 1 . 2]" 2
256 1 38 VAL MG1 1 39 GLU H 4.500 . 4.950 2.551 2.307 2.996 . 0 0 "[ . 1 . 2]" 2
257 1 38 VAL MG1 1 39 GLU HB2 4.500 . 4.950 4.602 4.300 4.990 0.040 16 0 "[ . 1 . 2]" 2
258 1 38 VAL MG1 1 39 GLU HB3 5.000 . 5.500 3.967 3.692 4.755 . 0 0 "[ . 1 . 2]" 2
259 1 38 VAL MG2 1 39 GLU H 4.500 . 4.950 4.096 3.880 4.278 . 0 0 "[ . 1 . 2]" 2
260 1 38 VAL MG2 1 39 GLU HB2 6.000 . 6.600 6.169 5.925 6.375 . 0 0 "[ . 1 . 2]" 2
261 1 38 VAL MG2 1 39 GLU HB3 6.000 . 6.600 6.047 5.719 6.427 . 0 0 "[ . 1 . 2]" 2
262 1 38 VAL MG2 1 41 ILE MG 5.000 . 5.500 4.808 4.362 5.345 . 0 0 "[ . 1 . 2]" 2
263 1 38 VAL MG2 1 41 ILE MD 5.500 . 6.050 3.201 2.631 3.945 . 0 0 "[ . 1 . 2]" 2
264 1 38 VAL MG1 1 56 LEU QD 4.000 . 4.400 2.199 1.826 2.777 . 0 0 "[ . 1 . 2]" 2
265 1 38 VAL MG1 1 57 LEU H 5.500 . 6.050 2.824 2.512 3.264 . 0 0 "[ . 1 . 2]" 2
266 1 38 VAL MG1 1 57 LEU HA 4.500 . 4.950 4.394 4.125 4.921 . 0 0 "[ . 1 . 2]" 2
267 1 38 VAL H 1 58 VAL MG2 4.500 . 4.950 4.302 3.892 4.725 . 0 0 "[ . 1 . 2]" 2
268 1 38 VAL HA 1 58 VAL MG2 4.000 . 4.400 2.617 2.214 3.056 . 0 0 "[ . 1 . 2]" 2
269 1 38 VAL MG1 1 58 VAL MG2 4.000 . 4.400 3.822 3.370 4.345 . 0 0 "[ . 1 . 2]" 2
270 1 38 VAL MG2 1 58 VAL MG2 4.000 . 4.400 3.182 2.441 3.715 . 0 0 "[ . 1 . 2]" 2
271 1 39 GLU H 1 57 LEU MD2 5.000 . 5.500 5.530 5.373 5.685 0.185 20 0 "[ . 1 . 2]" 2
272 1 39 GLU H 1 58 VAL MG2 5.500 . 6.050 3.672 3.275 4.012 . 0 0 "[ . 1 . 2]" 2
273 1 40 GLY H 1 57 LEU MD2 4.500 . 4.950 3.810 3.605 4.147 . 0 0 "[ . 1 . 2]" 2
274 1 40 GLY QA 1 57 LEU MD2 5.500 . 6.050 2.578 2.123 3.026 . 0 0 "[ . 1 . 2]" 2
275 1 41 ILE HA 1 42 LEU H 2.500 . 2.750 2.248 2.195 2.301 . 0 0 "[ . 1 . 2]" 2
276 1 41 ILE MG 1 42 LEU H 4.500 . 4.950 2.415 2.268 2.637 . 0 0 "[ . 1 . 2]" 2
277 1 41 ILE MG 1 42 LEU HA 4.500 . 4.950 3.258 3.091 3.588 . 0 0 "[ . 1 . 2]" 2
278 1 41 ILE MD 1 42 LEU H 5.000 . 5.500 4.990 4.787 5.224 . 0 0 "[ . 1 . 2]" 2
279 1 42 LEU HA 1 43 CYS H 2.500 . 2.750 2.215 2.117 2.305 . 0 0 "[ . 1 . 2]" 2
280 1 42 LEU HG 1 43 CYS HA 5.000 . 5.500 4.364 3.609 4.712 . 0 0 "[ . 1 . 2]" 2
281 1 42 LEU QD 1 43 CYS H 4.500 . 4.950 2.738 1.688 3.291 0.112 12 0 "[ . 1 . 2]" 2
282 1 42 LEU QD 1 43 CYS HA 5.000 . 5.500 4.234 3.953 4.598 . 0 0 "[ . 1 . 2]" 2
283 1 42 LEU QD 1 44 LEU MD1 4.000 . 4.400 2.739 1.965 3.817 . 0 0 "[ . 1 . 2]" 2
284 1 42 LEU QD 1 44 LEU MD2 4.500 . 4.950 3.562 2.080 4.057 . 0 0 "[ . 1 . 2]" 2
285 1 42 LEU HG 1 54 ILE HA 5.000 . 5.500 4.836 4.532 5.072 . 0 0 "[ . 1 . 2]" 2
286 1 42 LEU QD 1 55 TRP HZ3 4.500 . 4.950 3.344 2.704 4.622 . 0 0 "[ . 1 . 2]" 2
287 1 42 LEU QD 1 55 TRP HB3 5.000 . 5.500 4.503 3.620 5.545 0.045 8 0 "[ . 1 . 2]" 2
288 1 42 LEU QD 1 90 PHE QD 5.500 . 6.050 2.594 1.585 3.687 0.215 19 0 "[ . 1 . 2]" 2
289 1 42 LEU QD 1 93 ILE MG 5.500 . 5.500 4.139 3.513 4.277 . 0 0 "[ . 1 . 2]" 2
290 1 42 LEU QD 1 93 ILE MD 5.000 . 5.500 1.965 1.710 2.606 0.090 12 0 "[ . 1 . 2]" 2
291 1 42 LEU QD 1 93 ILE H 5.000 . 5.500 4.368 3.983 5.057 . 0 0 "[ . 1 . 2]" 2
292 1 42 LEU QD 1 94 ALA MB 5.000 . 5.500 2.750 1.995 4.683 . 0 0 "[ . 1 . 2]" 2
293 1 43 CYS HA 1 44 LEU H 2.500 . 2.750 2.168 2.132 2.209 . 0 0 "[ . 1 . 2]" 2
294 1 43 CYS HA 1 54 ILE MG 4.500 . 4.950 3.235 2.753 4.150 . 0 0 "[ . 1 . 2]" 2
295 1 43 CYS HB3 1 54 ILE MG 4.500 . 4.950 4.170 3.623 4.992 0.042 9 0 "[ . 1 . 2]" 2
296 1 43 CYS HB3 1 54 ILE MD 5.000 . 5.500 4.778 4.252 5.002 . 0 0 "[ . 1 . 2]" 2
297 1 44 LEU HA 1 45 PRO HB2 5.500 . 6.050 5.632 5.545 5.675 . 0 0 "[ . 1 . 2]" 2
298 1 44 LEU HA 1 45 PRO HB3 5.000 . 5.500 5.073 4.724 5.205 . 0 0 "[ . 1 . 2]" 2
299 1 44 LEU HA 1 45 PRO HD2 4.500 . 4.950 2.150 1.978 2.557 . 0 0 "[ . 1 . 2]" 2
300 1 44 LEU HA 1 45 PRO HD3 5.000 . 5.500 2.556 2.231 2.735 . 0 0 "[ . 1 . 2]" 2
301 1 44 LEU HA 1 45 PRO QG 4.500 . 4.950 3.958 3.836 4.055 . 0 0 "[ . 1 . 2]" 2
302 1 44 LEU MD1 1 45 PRO HD2 4.500 . 4.950 2.910 2.332 4.151 . 0 0 "[ . 1 . 2]" 2
303 1 44 LEU MD1 1 45 PRO HD3 4.500 . 4.950 4.062 3.738 4.957 0.007 10 0 "[ . 1 . 2]" 2
304 1 44 LEU MD1 1 45 PRO QG 4.500 . 4.950 4.333 3.722 5.035 0.085 16 0 "[ . 1 . 2]" 2
305 1 44 LEU H 1 54 ILE MD 5.500 . 6.050 4.360 3.998 4.737 . 0 0 "[ . 1 . 2]" 2
306 1 44 LEU MD1 1 55 TRP HZ2 5.500 . 6.050 5.947 3.937 6.307 0.257 2 0 "[ . 1 . 2]" 2
307 1 44 LEU MD1 1 55 TRP HZ3 5.500 . 6.050 3.473 2.246 5.093 . 0 0 "[ . 1 . 2]" 2
308 1 44 LEU MD1 1 93 ILE H 5.500 . 6.050 6.092 5.830 6.286 0.236 10 0 "[ . 1 . 2]" 2
309 1 44 LEU MD1 1 93 ILE HG13 5.500 . 6.050 4.031 3.108 4.639 . 0 0 "[ . 1 . 2]" 2
310 1 44 LEU MD1 1 93 ILE MG 5.000 . 5.500 5.051 3.858 5.549 0.049 1 0 "[ . 1 . 2]" 2
311 1 44 LEU MD1 1 93 ILE MD 5.500 . 6.050 4.311 1.827 5.424 . 0 0 "[ . 1 . 2]" 2
312 1 44 LEU MD2 1 93 ILE H 5.500 . 6.050 5.355 4.708 6.142 0.092 18 0 "[ . 1 . 2]" 2
313 1 44 LEU MD2 1 93 ILE MG 5.000 . 5.500 3.715 2.180 4.863 . 0 0 "[ . 1 . 2]" 2
314 1 44 LEU MD2 1 93 ILE MD 5.500 . 6.050 3.797 1.941 4.502 . 0 0 "[ . 1 . 2]" 2
315 1 44 LEU MD1 1 94 ALA H 5.500 . 6.050 4.823 4.387 5.871 . 0 0 "[ . 1 . 2]" 2
316 1 44 LEU MD1 1 94 ALA MB 5.000 . 5.500 4.057 3.537 5.560 0.060 19 0 "[ . 1 . 2]" 2
317 1 44 LEU MD2 1 94 ALA H 5.500 . 6.050 4.755 3.550 5.722 . 0 0 "[ . 1 . 2]" 2
318 1 44 LEU MD2 1 94 ALA HA 5.500 . 6.050 3.902 2.019 5.945 . 0 0 "[ . 1 . 2]" 2
319 1 44 LEU MD2 1 94 ALA MB 5.500 . 6.050 4.779 3.216 6.098 0.048 19 0 "[ . 1 . 2]" 2
320 1 45 PRO HA 1 46 ILE MD 4.500 . 4.950 3.994 2.839 4.671 . 0 0 "[ . 1 . 2]" 2
321 1 45 PRO QG 1 46 ILE HA 5.000 . 5.500 5.197 4.995 5.406 . 0 0 "[ . 1 . 2]" 2
322 1 46 ILE HA 1 47 GLN H 3.500 . 3.850 2.170 2.118 2.237 . 0 0 "[ . 1 . 2]" 2
323 1 46 ILE HA 1 47 GLN QG 6.500 . 7.150 4.232 3.583 5.820 . 0 0 "[ . 1 . 2]" 2
324 1 46 ILE HB 1 47 GLN QG 6.500 . 7.150 5.984 5.496 7.088 . 0 0 "[ . 1 . 2]" 2
325 1 46 ILE MG 1 47 GLN H 4.500 . 4.950 2.949 2.457 3.339 . 0 0 "[ . 1 . 2]" 2
326 1 46 ILE MG 1 47 GLN QG 4.500 . 4.950 3.914 3.284 4.962 0.012 11 0 "[ . 1 . 2]" 2
327 1 46 ILE MD 1 47 GLN H 4.500 . 4.950 4.147 3.709 4.995 0.045 19 0 "[ . 1 . 2]" 2
328 1 46 ILE MG 1 49 SER HB2 4.500 . 4.950 3.599 2.339 5.068 0.118 5 0 "[ . 1 . 2]" 2
329 1 46 ILE MG 1 49 SER HB3 4.500 . 4.950 4.680 3.854 5.080 0.130 3 0 "[ . 1 . 2]" 2
330 1 46 ILE MG 1 52 SER H 6.500 . 7.150 5.664 5.082 6.288 . 0 0 "[ . 1 . 2]" 2
331 1 46 ILE MD 1 52 SER H 5.500 . 6.050 4.617 3.059 5.621 . 0 0 "[ . 1 . 2]" 2
332 1 46 ILE MD 1 53 HIS QB 4.500 . 4.950 2.966 1.878 3.579 . 0 0 "[ . 1 . 2]" 2
333 1 46 ILE MD 1 53 HIS HA 4.500 . 4.950 4.602 4.125 5.095 0.145 4 0 "[ . 1 . 2]" 2
334 1 47 GLN HA 1 48 ASP HA 4.500 . 4.950 4.823 4.646 4.967 0.017 7 0 "[ . 1 . 2]" 2
335 1 47 GLN HA 1 48 ASP HB2 6.500 . 7.150 6.038 5.741 6.724 . 0 0 "[ . 1 . 2]" 2
336 1 47 GLN HA 1 48 ASP HB3 6.500 . 7.150 5.717 5.201 6.645 . 0 0 "[ . 1 . 2]" 2
337 1 47 GLN HB2 1 48 ASP H 4.500 . 4.950 4.064 3.912 4.199 . 0 0 "[ . 1 . 2]" 2
338 1 47 GLN HB3 1 48 ASP H 4.500 . 4.950 3.882 2.572 4.338 . 0 0 "[ . 1 . 2]" 2
339 1 47 GLN HB3 1 48 ASP HA 5.000 . 5.500 5.413 4.333 5.774 0.274 12 0 "[ . 1 . 2]" 2
340 1 47 GLN QG 1 48 ASP H 4.500 . 4.950 2.743 2.269 3.370 . 0 0 "[ . 1 . 2]" 2
341 1 47 GLN QG 1 48 ASP HA 4.500 . 4.950 3.287 2.829 3.566 . 0 0 "[ . 1 . 2]" 2
342 1 47 GLN QG 1 48 ASP HB2 4.500 . 4.950 3.802 2.802 4.595 . 0 0 "[ . 1 . 2]" 2
343 1 47 GLN HG3 1 48 ASP HB3 4.500 . 4.950 4.557 3.337 5.182 0.232 7 0 "[ . 1 . 2]" 2
344 1 47 GLN QG 1 49 SER H 4.500 . 4.950 4.818 4.439 5.041 0.091 13 0 "[ . 1 . 2]" 2
345 1 51 LYS HA 1 52 SER HB2 5.000 . 5.500 4.383 4.143 4.515 . 0 0 "[ . 1 . 2]" 2
346 1 51 LYS HA 1 52 SER HB3 5.000 . 5.500 4.823 4.226 5.664 0.164 8 0 "[ . 1 . 2]" 2
347 1 53 HIS HA 1 54 ILE H 2.500 . 2.750 2.181 2.074 2.257 . 0 0 "[ . 1 . 2]" 2
348 1 54 ILE HA 1 55 TRP H 2.500 . 2.750 2.194 2.132 2.248 . 0 0 "[ . 1 . 2]" 2
349 1 54 ILE MG 1 55 TRP H 4.500 . 4.950 3.034 2.508 3.319 . 0 0 "[ . 1 . 2]" 2
350 1 54 ILE MG 1 55 TRP HA 4.500 . 4.950 3.948 3.646 4.161 . 0 0 "[ . 1 . 2]" 2
351 1 55 TRP HA 1 56 LEU H 2.500 . 2.750 2.155 2.017 2.212 . 0 0 "[ . 1 . 2]" 2
352 1 55 TRP HB3 1 57 LEU MD1 5.500 . 6.050 3.006 2.616 5.456 . 0 0 "[ . 1 . 2]" 2
353 1 55 TRP HB3 1 57 LEU MD2 6.500 . 7.150 4.955 2.381 5.482 . 0 0 "[ . 1 . 2]" 2
354 1 56 LEU H 1 57 LEU MD1 4.500 . 4.950 4.093 3.670 4.991 0.041 8 0 "[ . 1 . 2]" 2
355 1 56 LEU HA 1 57 LEU H 2.500 . 2.750 2.128 2.100 2.204 . 0 0 "[ . 1 . 2]" 2
356 1 56 LEU HA 1 57 LEU MD1 4.500 . 4.950 3.633 3.310 4.658 . 0 0 "[ . 1 . 2]" 2
357 1 56 LEU MD1 1 57 LEU H 5.000 . 5.500 4.016 2.934 5.450 . 0 0 "[ . 1 . 2]" 2
358 1 56 LEU MD2 1 57 LEU H 4.500 . 4.950 4.473 3.111 4.999 0.049 12 0 "[ . 1 . 2]" 2
359 1 57 LEU HA 1 58 VAL H 2.500 . 2.750 2.155 2.102 2.218 . 0 0 "[ . 1 . 2]" 2
360 1 57 LEU MD1 1 58 VAL H 4.500 . 4.950 4.397 3.826 4.647 . 0 0 "[ . 1 . 2]" 2
361 1 57 LEU MD2 1 58 VAL H 5.500 . 6.050 5.277 4.776 5.497 . 0 0 "[ . 1 . 2]" 2
362 1 57 LEU MD2 1 58 VAL HA 5.500 . 6.050 6.120 5.991 6.231 0.181 4 0 "[ . 1 . 2]" 2
363 1 57 LEU MD2 1 90 PHE H 5.500 . 6.050 4.915 3.598 6.245 0.195 7 0 "[ . 1 . 2]" 2
364 1 58 VAL H 1 59 ASN HA 5.000 . 5.500 4.682 4.557 4.816 . 0 0 "[ . 1 . 2]" 2
365 1 58 VAL HB 1 59 ASN H 4.500 . 4.950 4.202 4.103 4.311 . 0 0 "[ . 1 . 2]" 2
366 1 58 VAL MG1 1 59 ASN QB 4.500 . 4.950 5.035 4.865 5.152 0.202 17 0 "[ . 1 . 2]" 2
367 1 58 VAL MG2 1 59 ASN H 4.500 . 4.950 2.379 2.279 2.569 . 0 0 "[ . 1 . 2]" 2
368 1 60 ASP H 1 64 LEU MD1 5.000 . 5.500 5.671 5.466 5.968 0.468 8 0 "[ . 1 . 2]" 2
369 1 60 ASP H 1 64 LEU MD2 4.500 . 4.950 4.332 3.671 5.127 0.177 4 0 "[ . 1 . 2]" 2
370 1 60 ASP HA 1 64 LEU HG 5.000 . 5.500 3.663 1.864 5.192 . 0 0 "[ . 1 . 2]" 2
371 1 60 ASP HA 1 64 LEU MD1 5.500 . 6.050 3.741 3.198 4.291 . 0 0 "[ . 1 . 2]" 2
372 1 60 ASP HA 1 64 LEU MD2 5.500 . 6.050 2.292 1.724 3.342 0.076 20 0 "[ . 1 . 2]" 2
373 1 61 ASP HA 1 62 GLN HA 5.500 . 6.050 4.390 4.315 4.485 . 0 0 "[ . 1 . 2]" 2
374 1 61 ASP HA 1 62 GLN QB 4.500 . 4.950 4.672 4.568 4.734 . 0 0 "[ . 1 . 2]" 2
375 1 61 ASP HA 1 62 GLN QG 4.500 . 4.950 3.771 3.600 4.001 . 0 0 "[ . 1 . 2]" 2
376 1 61 ASP HB2 1 63 ARG QB 5.500 . 6.050 4.946 4.052 6.197 0.147 3 0 "[ . 1 . 2]" 2
377 1 61 ASP H 1 64 LEU MD1 5.000 . 5.500 3.962 3.518 4.372 . 0 0 "[ . 1 . 2]" 2
378 1 61 ASP H 1 64 LEU MD2 4.500 . 4.950 2.763 2.306 3.653 . 0 0 "[ . 1 . 2]" 2
379 1 61 ASP HB2 1 64 LEU MD1 4.500 . 4.950 4.529 3.689 5.181 0.231 4 0 "[ . 1 . 2]" 2
380 1 61 ASP HB3 1 64 LEU MD1 4.500 . 4.950 3.949 3.206 4.896 . 0 0 "[ . 1 . 2]" 2
381 1 62 GLN QB 1 63 ARG QB 4.000 . 4.400 4.002 3.694 4.466 0.066 18 0 "[ . 1 . 2]" 2
382 1 62 GLN QG 1 63 ARG H 4.500 . 4.950 4.060 3.914 4.210 . 0 0 "[ . 1 . 2]" 2
383 1 64 LEU HB3 1 65 GLU HA 4.500 . 4.950 4.126 3.860 4.709 . 0 0 "[ . 1 . 2]" 2
384 1 64 LEU MD1 1 68 ILE H 5.000 . 5.500 4.604 3.476 5.544 0.044 3 0 "[ . 1 . 2]" 2
385 1 64 LEU MD1 1 68 ILE HA 6.000 . 6.600 5.450 4.348 6.236 . 0 0 "[ . 1 . 2]" 2
386 1 65 GLU HG2 1 66 GLN H 4.500 . 4.950 4.977 4.524 5.082 0.132 20 0 "[ . 1 . 2]" 2
387 1 65 GLU HG3 1 66 GLN H 4.500 . 4.950 4.262 3.794 4.570 . 0 0 "[ . 1 . 2]" 2
388 1 65 GLU HA 1 68 ILE H 3.800 . 4.180 3.306 3.020 3.636 . 0 0 "[ . 1 . 2]" 2
389 1 65 GLU HA 1 68 ILE MD 4.500 . 4.950 2.028 1.818 2.488 . 0 0 "[ . 1 . 2]" 2
390 1 65 GLU HG3 1 68 ILE MD 4.500 . 4.950 3.967 3.509 4.529 . 0 0 "[ . 1 . 2]" 2
391 1 65 GLU QB 1 69 SER QB 5.500 . 6.050 4.778 4.168 5.446 . 0 0 "[ . 1 . 2]" 2
392 1 67 MET H 1 68 ILE MD 5.000 . 5.500 5.116 4.945 5.405 . 0 0 "[ . 1 . 2]" 2
393 1 67 MET HA 1 70 GLN H 5.500 . 6.050 3.312 2.995 3.616 . 0 0 "[ . 1 . 2]" 2
394 1 68 ILE H 1 69 SER QB 4.500 . 4.950 4.504 4.265 4.816 . 0 0 "[ . 1 . 2]" 2
395 1 68 ILE HA 1 69 SER H 3.800 . 4.180 3.548 3.533 3.584 . 0 0 "[ . 1 . 2]" 2
396 1 68 ILE HA 1 69 SER QB 5.000 . 5.500 5.381 5.231 5.577 0.077 11 0 "[ . 1 . 2]" 2
397 1 68 ILE HB 1 69 SER H 4.500 . 4.950 2.650 2.403 2.838 . 0 0 "[ . 1 . 2]" 2
398 1 68 ILE HB 1 69 SER QB 5.000 . 5.500 4.348 3.873 4.911 . 0 0 "[ . 1 . 2]" 2
399 1 68 ILE MG 1 69 SER H 4.500 . 4.950 3.371 2.965 3.580 . 0 0 "[ . 1 . 2]" 2
400 1 68 ILE MG 1 69 SER HA 4.500 . 4.950 3.463 3.096 3.636 . 0 0 "[ . 1 . 2]" 2
401 1 68 ILE MG 1 69 SER QB 4.500 . 4.950 4.360 3.709 4.840 . 0 0 "[ . 1 . 2]" 2
402 1 68 ILE MD 1 69 SER H 4.500 . 4.950 4.625 4.464 4.829 . 0 0 "[ . 1 . 2]" 2
403 1 68 ILE H 1 71 ILE MD 6.500 . 7.150 6.491 6.133 7.164 0.014 1 0 "[ . 1 . 2]" 2
404 1 68 ILE HA 1 71 ILE H 4.500 . 4.950 3.704 3.460 3.969 . 0 0 "[ . 1 . 2]" 2
405 1 69 SER HA 1 72 ASP H 4.500 . 4.950 3.780 3.472 4.163 . 0 0 "[ . 1 . 2]" 2
406 1 69 SER QB 1 72 ASP H 5.000 . 5.500 5.166 5.007 5.549 0.049 20 0 "[ . 1 . 2]" 2
407 1 69 SER QB 1 73 LYS HG2 5.000 . 5.500 5.210 4.580 5.677 0.177 19 0 "[ . 1 . 2]" 2
408 1 69 SER QB 1 73 LYS QE 5.500 . 6.050 4.842 3.411 6.168 0.118 11 0 "[ . 1 . 2]" 2
409 1 70 GLN HG2 1 71 ILE H 5.000 . 5.500 4.765 4.588 4.978 . 0 0 "[ . 1 . 2]" 2
410 1 70 GLN HG3 1 71 ILE H 5.000 . 5.500 4.887 4.752 5.171 . 0 0 "[ . 1 . 2]" 2
411 1 70 GLN HE22 1 71 ILE MG 5.000 . 5.500 5.141 3.850 5.654 0.154 15 0 "[ . 1 . 2]" 2
412 1 70 GLN HE22 1 71 ILE MD 5.500 . 6.050 5.252 4.294 6.020 . 0 0 "[ . 1 . 2]" 2
413 1 70 GLN HA 1 73 LYS H 3.800 . 4.180 3.925 3.646 4.181 0.001 20 0 "[ . 1 . 2]" 2
414 1 70 GLN HA 1 73 LYS HG2 5.000 . 5.500 3.295 2.560 5.064 . 0 0 "[ . 1 . 2]" 2
415 1 70 GLN HA 1 73 LYS HG3 5.000 . 5.500 3.498 2.370 4.039 . 0 0 "[ . 1 . 2]" 2
416 1 70 GLN HA 1 73 LYS HE2 5.500 . 6.050 5.054 4.288 6.245 0.195 8 0 "[ . 1 . 2]" 2
417 1 70 GLN HA 1 73 LYS HE3 5.500 . 6.050 5.111 2.962 6.254 0.204 6 0 "[ . 1 . 2]" 2
418 1 71 ILE MG 1 72 ASP HA 4.500 . 4.950 3.309 3.086 3.618 . 0 0 "[ . 1 . 2]" 2
419 1 71 ILE MD 1 72 ASP H 4.500 . 4.950 4.775 4.033 4.896 . 0 0 "[ . 1 . 2]" 2
420 1 71 ILE HA 1 74 LEU MD1 4.500 . 4.950 4.480 2.482 4.743 . 0 0 "[ . 1 . 2]" 2
421 1 71 ILE HA 1 74 LEU MD2 4.500 . 4.950 1.960 1.719 3.757 0.081 11 0 "[ . 1 . 2]" 2
422 1 71 ILE MD 1 76 ASP HB3 6.500 . 7.150 6.034 4.164 7.291 0.141 2 0 "[ . 1 . 2]" 2
423 1 72 ASP HB2 1 73 LYS H 4.500 . 4.950 4.130 4.004 4.349 . 0 0 "[ . 1 . 2]" 2
424 1 72 ASP HB3 1 73 LYS H 5.000 . 5.500 2.980 2.706 4.033 . 0 0 "[ . 1 . 2]" 2
425 1 72 ASP H 1 77 VAL MG2 5.000 . 5.500 4.403 3.821 5.133 . 0 0 "[ . 1 . 2]" 2
426 1 72 ASP HA 1 77 VAL MG2 5.000 . 5.500 3.310 2.666 4.237 . 0 0 "[ . 1 . 2]" 2
427 1 72 ASP H 1 80 VAL MG1 4.500 . 4.950 4.182 3.201 4.861 . 0 0 "[ . 1 . 2]" 2
428 1 72 ASP H 1 80 VAL MG2 4.500 . 4.950 4.437 3.979 5.011 0.061 19 0 "[ . 1 . 2]" 2
429 1 72 ASP HA 1 80 VAL MG1 4.500 . 4.950 3.428 2.196 4.141 . 0 0 "[ . 1 . 2]" 2
430 1 72 ASP HA 1 80 VAL MG2 4.500 . 4.950 4.152 3.352 4.871 . 0 0 "[ . 1 . 2]" 2
431 1 72 ASP HB2 1 80 VAL HB 4.500 . 4.950 3.298 2.778 3.754 . 0 0 "[ . 1 . 2]" 2
432 1 72 ASP HB3 1 80 VAL HB 4.500 . 4.950 4.871 3.110 5.354 0.404 6 0 "[ . 1 . 2]" 2
433 1 72 ASP QB 1 80 VAL MG1 5.000 . 5.500 2.086 1.735 2.611 0.065 8 0 "[ . 1 . 2]" 2
434 1 73 LYS H 1 74 LEU MD1 6.000 . 6.600 5.644 5.110 6.196 . 0 0 "[ . 1 . 2]" 2
435 1 73 LYS HA 1 74 LEU H 3.500 . 3.850 3.369 3.111 3.479 . 0 0 "[ . 1 . 2]" 2
436 1 73 LYS HA 1 74 LEU MD2 5.000 . 5.500 4.683 4.412 5.530 0.030 20 0 "[ . 1 . 2]" 2
437 1 74 LEU HA 1 75 GLU QG 4.500 . 4.950 3.544 3.310 3.761 . 0 0 "[ . 1 . 2]" 2
438 1 74 LEU MD1 1 77 VAL H 5.000 . 5.500 5.044 4.151 5.592 0.092 9 0 "[ . 1 . 2]" 2
439 1 74 LEU MD2 1 77 VAL H 5.000 . 5.500 5.049 1.857 5.498 . 0 0 "[ . 1 . 2]" 2
440 1 74 LEU MD2 1 77 VAL HB 4.500 . 4.950 4.814 2.415 5.222 0.272 6 0 "[ . 1 . 2]" 2
441 1 75 GLU HA 1 77 VAL H 4.500 . 4.950 4.398 4.126 4.686 . 0 0 "[ . 1 . 2]" 2
442 1 76 ASP H 1 77 VAL MG2 4.500 . 4.950 4.413 3.972 4.804 . 0 0 "[ . 1 . 2]" 2
443 1 76 ASP HA 1 77 VAL H 3.800 . 4.180 3.561 3.513 3.588 . 0 0 "[ . 1 . 2]" 2
444 1 77 VAL H 1 78 VAL MG1 6.500 . 7.150 6.718 6.550 6.822 . 0 0 "[ . 1 . 2]" 2
445 1 77 VAL H 1 78 VAL MG2 4.500 . 4.950 4.931 4.754 5.065 0.115 18 0 "[ . 1 . 2]" 2
446 1 77 VAL HA 1 78 VAL H 3.800 . 4.180 2.151 2.116 2.217 . 0 0 "[ . 1 . 2]" 2
447 1 77 VAL MG1 1 78 VAL MG2 4.500 . 4.950 4.603 4.406 4.808 . 0 0 "[ . 1 . 2]" 2
448 1 77 VAL MG2 1 78 VAL H 4.500 . 4.950 4.150 3.956 4.271 . 0 0 "[ . 1 . 2]" 2
449 1 77 VAL MG2 1 79 LYS H 5.000 . 5.500 4.796 4.337 4.988 . 0 0 "[ . 1 . 2]" 2
450 1 77 VAL MG2 1 79 LYS HA 5.500 . 6.050 6.040 5.781 6.162 0.112 3 0 "[ . 1 . 2]" 2
451 1 77 VAL MG2 1 80 VAL HA 4.500 . 4.950 4.974 4.813 5.104 0.154 1 0 "[ . 1 . 2]" 2
452 1 77 VAL MG2 1 80 VAL HB 4.500 . 4.950 4.078 3.591 5.218 0.268 6 0 "[ . 1 . 2]" 2
453 1 78 VAL HA 1 79 LYS H 3.500 . 3.850 3.548 3.512 3.573 . 0 0 "[ . 1 . 2]" 2
454 1 78 VAL HB 1 79 LYS H 4.000 . 4.400 2.515 2.286 2.754 . 0 0 "[ . 1 . 2]" 2
455 1 78 VAL MG1 1 79 LYS H 4.500 . 4.950 3.648 3.427 3.852 . 0 0 "[ . 1 . 2]" 2
456 1 78 VAL MG1 1 79 LYS HB2 5.500 . 6.050 4.276 3.889 4.580 . 0 0 "[ . 1 . 2]" 2
457 1 78 VAL MG1 1 79 LYS HB3 6.500 . 7.150 5.100 4.859 5.409 . 0 0 "[ . 1 . 2]" 2
458 1 78 VAL MG1 1 79 LYS HG3 5.500 . 6.050 2.532 2.239 2.952 . 0 0 "[ . 1 . 2]" 2
459 1 78 VAL MG1 1 79 LYS QE 5.500 . 6.050 3.585 3.077 5.387 . 0 0 "[ . 1 . 2]" 2
460 1 78 VAL MG2 1 79 LYS H 4.500 . 4.950 3.596 3.520 3.693 . 0 0 "[ . 1 . 2]" 2
461 1 78 VAL MG2 1 79 LYS HA 5.500 . 6.050 5.646 5.596 5.698 . 0 0 "[ . 1 . 2]" 2
462 1 78 VAL MG2 1 79 LYS HG3 5.500 . 6.050 4.728 4.480 5.000 . 0 0 "[ . 1 . 2]" 2
463 1 78 VAL MG2 1 79 LYS QE 6.500 . 7.150 5.686 5.015 6.829 . 0 0 "[ . 1 . 2]" 2
464 1 79 LYS H 1 80 VAL MG2 5.500 . 6.050 5.977 5.569 6.193 0.143 16 0 "[ . 1 . 2]" 2
465 1 79 LYS HA 1 80 VAL H 2.500 . 2.750 2.267 2.158 2.338 . 0 0 "[ . 1 . 2]" 2
466 1 79 LYS HA 1 80 VAL MG1 4.500 . 4.950 3.966 3.594 4.279 . 0 0 "[ . 1 . 2]" 2
467 1 79 LYS HB2 1 80 VAL H 4.500 . 4.950 3.981 3.803 4.262 . 0 0 "[ . 1 . 2]" 2
468 1 79 LYS HB3 1 80 VAL H 4.500 . 4.950 2.891 2.736 3.291 . 0 0 "[ . 1 . 2]" 2
469 1 79 LYS HG2 1 80 VAL H 4.500 . 4.950 4.224 3.972 4.399 . 0 0 "[ . 1 . 2]" 2
470 1 79 LYS HG3 1 80 VAL H 4.500 . 4.950 5.017 4.847 5.094 0.144 19 0 "[ . 1 . 2]" 2
471 1 79 LYS QD 1 80 VAL H 5.000 . 5.500 4.978 4.782 5.389 . 0 0 "[ . 1 . 2]" 2
472 1 80 VAL HA 1 81 GLN H 2.500 . 2.750 2.249 2.168 2.337 . 0 0 "[ . 1 . 2]" 2
473 1 80 VAL MG1 1 81 GLN H 4.500 . 4.950 3.797 3.500 4.310 . 0 0 "[ . 1 . 2]" 2
474 1 80 VAL MG2 1 81 GLN H 5.000 . 5.500 2.545 2.170 3.553 . 0 0 "[ . 1 . 2]" 2
475 1 84 GLN HA 1 85 SER HB2 4.500 . 4.950 4.494 4.294 4.809 . 0 0 "[ . 1 . 2]" 2
476 1 84 GLN HA 1 85 SER HB3 5.000 . 5.500 4.720 4.515 4.896 . 0 0 "[ . 1 . 2]" 2
477 1 85 SER HA 1 86 ASP H 2.500 . 2.750 2.352 2.033 2.652 . 0 0 "[ . 1 . 2]" 2
478 1 86 ASP HA 1 87 PRO HG2 4.500 . 4.950 4.529 4.280 4.787 . 0 0 "[ . 1 . 2]" 2
479 1 86 ASP HA 1 87 PRO HD2 5.000 . 5.500 2.478 2.076 2.982 . 0 0 "[ . 1 . 2]" 2
480 1 86 ASP HA 1 87 PRO HD3 5.000 . 5.500 2.353 1.957 2.652 . 0 0 "[ . 1 . 2]" 2
481 1 86 ASP HB2 1 87 PRO QD 5.500 . 6.050 3.743 2.009 4.122 . 0 0 "[ . 1 . 2]" 2
482 1 86 ASP HB3 1 87 PRO QD 5.000 . 5.500 3.349 2.102 4.221 . 0 0 "[ . 1 . 2]" 2
483 1 87 PRO HA 1 88 THR H 4.000 . 4.400 3.490 3.145 3.620 . 0 0 "[ . 1 . 2]" 2
484 1 87 PRO HB2 1 88 THR MG 4.500 . 4.950 3.667 2.727 5.056 0.106 8 0 "[ . 1 . 2]" 2
485 1 87 PRO HB3 1 88 THR MG 5.500 . 6.050 4.897 4.186 5.681 . 0 0 "[ . 1 . 2]" 2
486 1 87 PRO QD 1 88 THR MG 5.000 . 5.500 3.797 3.258 4.405 . 0 0 "[ . 1 . 2]" 2
487 1 88 THR HA 1 91 ASN QB 4.500 . 4.950 2.954 2.045 3.482 . 0 0 "[ . 1 . 2]" 2
488 1 88 THR HB 1 91 ASN H 4.500 . 4.950 4.822 4.266 5.190 0.240 2 0 "[ . 1 . 2]" 2
489 1 88 THR HB 1 91 ASN QB 4.500 . 4.950 3.588 2.868 4.526 . 0 0 "[ . 1 . 2]" 2
490 1 88 THR MG 1 91 ASN HB3 4.500 . 4.950 4.240 3.834 4.722 . 0 0 "[ . 1 . 2]" 2
491 1 89 MET HB2 1 93 ILE MD 5.500 . 6.050 4.980 3.866 5.521 . 0 0 "[ . 1 . 2]" 2
492 1 89 MET HB3 1 93 ILE MD 5.500 . 6.050 4.316 3.072 4.746 . 0 0 "[ . 1 . 2]" 2
493 1 90 PHE HA 1 93 ILE MD 4.500 . 4.950 2.267 1.697 3.208 0.103 15 0 "[ . 1 . 2]" 2
494 1 90 PHE QD 1 93 ILE MD 4.500 . 4.950 4.194 3.341 4.705 . 0 0 "[ . 1 . 2]" 2
495 1 91 ASN HA 1 94 ALA MB 4.500 . 4.950 2.425 2.184 2.653 . 0 0 "[ . 1 . 2]" 2
496 1 91 ASN HB2 1 94 ALA MB 4.500 . 4.950 4.558 4.274 4.852 . 0 0 "[ . 1 . 2]" 2
497 1 91 ASN HB3 1 94 ALA MB 4.500 . 4.950 4.943 4.722 5.090 0.140 14 0 "[ . 1 . 2]" 2
498 1 92 LYS H 1 93 ILE MG 4.500 . 4.950 4.608 4.318 4.910 . 0 0 "[ . 1 . 2]" 2
499 1 92 LYS H 1 93 ILE MD 5.500 . 6.050 4.185 3.432 5.715 . 0 0 "[ . 1 . 2]" 2
500 1 93 ILE HA 1 94 ALA MB 6.000 . 6.600 5.028 4.973 5.058 . 0 0 "[ . 1 . 2]" 2
501 1 93 ILE MD 1 94 ALA MB 5.000 . 5.500 3.915 3.181 4.572 . 0 0 "[ . 1 . 2]" 2
502 1 94 ALA MB 1 95 VAL H 4.500 . 4.950 2.618 2.378 2.872 . 0 0 "[ . 1 . 2]" 2
503 1 94 ALA MB 1 95 VAL HA 4.500 . 4.950 3.946 3.874 4.043 . 0 0 "[ . 1 . 2]" 2
504 1 94 ALA MB 1 95 VAL MG2 4.500 . 4.950 4.419 3.092 5.023 0.073 11 0 "[ . 1 . 2]" 2
505 1 95 VAL HB 1 96 PHE H 4.500 . 4.950 3.911 2.673 4.230 . 0 0 "[ . 1 . 2]" 2
506 1 95 VAL MG2 1 96 PHE H 4.500 . 4.950 3.609 2.226 4.197 . 0 0 "[ . 1 . 2]" 2
507 1 95 VAL MG2 1 96 PHE HA 5.000 . 5.500 4.112 3.297 5.551 0.051 14 0 "[ . 1 . 2]" 2
508 1 95 VAL MG2 1 96 PHE QB 5.000 . 5.500 4.533 2.963 5.470 . 0 0 "[ . 1 . 2]" 2
509 2 9 ASP HA 2 59 ASN HB2 4.500 . 4.950 4.931 4.269 5.150 0.200 17 0 "[ . 1 . 2]" 2
510 2 9 ASP HA 2 59 ASN HB3 5.000 . 5.500 5.172 3.936 5.721 0.221 14 0 "[ . 1 . 2]" 2
511 2 10 ASN HA 2 11 VAL H 3.500 . 3.850 2.334 2.127 2.468 . 0 0 "[ . 1 . 2]" 2
512 2 10 ASN HA 2 11 VAL QG 4.500 . 4.950 3.291 3.171 3.428 . 0 0 "[ . 1 . 2]" 2
513 2 10 ASN HB2 2 11 VAL H 4.500 . 4.950 2.674 2.288 3.412 . 0 0 "[ . 1 . 2]" 2
514 2 10 ASN HB2 2 11 VAL QG 4.000 . 4.400 4.182 3.929 4.459 0.059 20 0 "[ . 1 . 2]" 2
515 2 10 ASN HB3 2 11 VAL H 5.000 . 5.500 3.919 3.652 4.275 . 0 0 "[ . 1 . 2]" 2
516 2 10 ASN HB3 2 11 VAL QG 5.000 . 5.500 4.967 4.798 5.114 . 0 0 "[ . 1 . 2]" 2
517 2 10 ASN HD21 2 57 LEU MD1 4.500 . 4.950 3.935 2.008 5.016 0.066 1 0 "[ . 1 . 2]" 2
518 2 10 ASN HD21 2 57 LEU MD2 4.500 . 4.950 3.125 1.925 4.979 0.029 8 0 "[ . 1 . 2]" 2
519 2 10 ASN HA 2 58 VAL MG1 5.500 . 6.050 4.765 4.530 5.059 . 0 0 "[ . 1 . 2]" 2
520 2 10 ASN HA 2 59 ASN HA 4.500 . 4.950 2.019 1.686 2.488 0.114 14 0 "[ . 1 . 2]" 2
521 2 10 ASN HA 2 59 ASN HB2 5.000 . 5.500 4.058 3.734 4.413 . 0 0 "[ . 1 . 2]" 2
522 2 10 ASN HA 2 59 ASN HB3 5.000 . 5.500 3.327 2.660 3.749 . 0 0 "[ . 1 . 2]" 2
523 2 11 VAL HA 2 12 ILE H 2.500 . 2.750 2.210 2.081 2.329 . 0 0 "[ . 1 . 2]" 2
524 2 11 VAL HA 2 12 ILE HG12 4.500 . 4.950 3.363 3.042 3.580 . 0 0 "[ . 1 . 2]" 2
525 2 11 VAL HA 2 12 ILE MD 4.500 . 4.950 4.025 3.606 4.427 . 0 0 "[ . 1 . 2]" 2
526 2 11 VAL HB 2 12 ILE H 4.500 . 4.950 2.804 2.601 3.088 . 0 0 "[ . 1 . 2]" 2
527 2 11 VAL MG2 2 12 ILE H 4.500 . 4.950 3.731 3.456 4.003 . 0 0 "[ . 1 . 2]" 2
528 2 11 VAL MG2 2 13 LEU H 5.500 . 6.050 3.514 2.609 3.964 . 0 0 "[ . 1 . 2]" 2
529 2 11 VAL H 2 57 LEU MD1 5.000 2.300 5.450 5.493 4.879 5.686 0.236 4 0 "[ . 1 . 2]" 2
530 2 11 VAL HA 2 57 LEU MD1 5.500 . 6.050 5.836 4.984 6.073 0.023 15 0 "[ . 1 . 2]" 2
531 2 11 VAL H 2 58 VAL MG1 4.500 . 4.950 3.722 3.481 3.895 . 0 0 "[ . 1 . 2]" 2
532 2 11 VAL HA 2 58 VAL MG1 6.500 . 7.150 5.538 5.343 5.718 . 0 0 "[ . 1 . 2]" 2
533 2 11 VAL MG2 2 58 VAL HB 4.000 . 4.400 4.629 4.495 4.829 0.429 4 0 "[ . 1 . 2]" 2
534 2 11 VAL H 2 59 ASN HA 5.000 . 5.500 3.246 2.480 3.616 . 0 0 "[ . 1 . 2]" 2
535 2 11 VAL MG1 2 59 ASN HA 5.000 . 5.500 3.538 2.467 4.043 . 0 0 "[ . 1 . 2]" 2
536 2 11 VAL MG2 2 59 ASN HA 5.500 . 6.050 3.483 2.822 3.856 . 0 0 "[ . 1 . 2]" 2
537 2 11 VAL QG 2 59 ASN HB2 5.000 . 5.500 4.674 4.110 4.998 . 0 0 "[ . 1 . 2]" 2
538 2 11 VAL QG 2 59 ASN HB3 5.500 . 6.050 4.920 4.349 5.196 . 0 0 "[ . 1 . 2]" 2
539 2 11 VAL MG1 2 60 ASP HA 4.000 . 4.400 2.892 2.167 3.899 . 0 0 "[ . 1 . 2]" 2
540 2 11 VAL MG1 2 60 ASP HB3 4.000 . 4.400 2.763 1.754 3.393 0.046 20 0 "[ . 1 . 2]" 2
541 2 11 VAL MG2 2 60 ASP HA 4.000 . 4.400 3.088 2.810 3.571 . 0 0 "[ . 1 . 2]" 2
542 2 11 VAL MG2 2 60 ASP HB3 4.000 . 4.400 3.672 1.881 4.580 0.180 5 0 "[ . 1 . 2]" 2
543 2 12 ILE MD 2 13 LEU H 4.500 . 4.950 4.277 4.124 4.393 . 0 0 "[ . 1 . 2]" 2
544 2 12 ILE MG 2 55 TRP HA 4.500 . 4.950 3.510 3.070 3.988 . 0 0 "[ . 1 . 2]" 2
545 2 12 ILE HB 2 57 LEU MD1 4.500 . 4.950 4.899 4.530 5.090 0.140 14 0 "[ . 1 . 2]" 2
546 2 12 ILE HG12 2 57 LEU MD1 4.000 . 4.400 4.452 4.190 4.533 0.133 2 0 "[ . 1 . 2]" 2
547 2 12 ILE MG 2 57 LEU HA 4.500 . 4.950 4.697 4.372 5.027 0.077 20 0 "[ . 1 . 2]" 2
548 2 12 ILE MD 2 57 LEU HA 4.500 . 4.950 3.261 2.916 3.626 . 0 0 "[ . 1 . 2]" 2
549 2 12 ILE MD 2 57 LEU MD1 4.000 . 4.400 2.173 1.979 2.260 . 0 0 "[ . 1 . 2]" 2
550 2 12 ILE HA 2 58 VAL MG1 5.500 . 6.050 5.274 4.670 5.496 . 0 0 "[ . 1 . 2]" 2
551 2 12 ILE HB 2 83 ASN HB2 4.500 . 4.950 2.148 1.712 2.990 0.088 15 0 "[ . 1 . 2]" 2
552 2 12 ILE HB 2 83 ASN HB3 4.500 . 4.950 3.324 2.875 4.000 . 0 0 "[ . 1 . 2]" 2
553 2 12 ILE HG12 2 83 ASN HB2 4.500 . 4.950 4.280 3.622 4.874 . 0 0 "[ . 1 . 2]" 2
554 2 12 ILE HG12 2 83 ASN HB3 4.500 . 4.950 4.851 4.434 5.066 0.116 9 0 "[ . 1 . 2]" 2
555 2 12 ILE MG 2 83 ASN H 5.500 . 6.050 4.373 4.017 4.859 . 0 0 "[ . 1 . 2]" 2
556 2 12 ILE MG 2 83 ASN HB2 4.500 . 4.950 3.184 2.598 3.986 . 0 0 "[ . 1 . 2]" 2
557 2 12 ILE MG 2 83 ASN HB3 4.500 . 4.950 4.217 3.531 5.036 0.086 5 0 "[ . 1 . 2]" 2
558 2 12 ILE MD 2 83 ASN HB2 5.500 . 6.050 4.970 4.637 5.676 . 0 0 "[ . 1 . 2]" 2
559 2 12 ILE MD 2 83 ASN HB3 5.500 . 6.050 5.635 5.213 6.098 0.048 20 0 "[ . 1 . 2]" 2
560 2 12 ILE MG 2 85 SER HB2 5.500 . 6.050 5.166 4.892 5.636 . 0 0 "[ . 1 . 2]" 2
561 2 12 ILE MG 2 85 SER HB3 5.500 . 6.050 5.199 3.697 6.413 0.363 16 0 "[ . 1 . 2]" 2
562 2 13 LEU MD1 2 14 GLU H 5.500 . 6.050 5.255 3.282 5.597 . 0 0 "[ . 1 . 2]" 2
563 2 13 LEU MD2 2 14 GLU H 4.500 . 4.950 3.765 2.788 4.105 . 0 0 "[ . 1 . 2]" 2
564 2 13 LEU MD1 2 31 PHE QE 4.000 . 4.400 2.431 1.704 3.408 0.096 3 0 "[ . 1 . 2]" 2
565 2 13 LEU MD2 2 31 PHE QE 4.500 . 4.950 4.337 2.826 4.847 . 0 0 "[ . 1 . 2]" 2
566 2 13 LEU MD1 2 68 ILE HA 4.500 . 4.950 4.514 4.017 5.085 0.135 8 0 "[ . 1 . 2]" 2
567 2 13 LEU MD1 2 82 ARG HA 4.500 . 4.950 4.766 4.028 5.037 0.087 5 0 "[ . 1 . 2]" 2
568 2 13 LEU MD2 2 82 ARG HA 4.000 . 4.400 2.345 1.940 3.972 . 0 0 "[ . 1 . 2]" 2
569 2 13 LEU MD2 2 82 ARG HB2 4.000 . 4.400 3.702 2.404 4.493 0.093 5 0 "[ . 1 . 2]" 2
570 2 14 GLU HA 2 15 LEU MD2 4.500 . 4.950 4.510 3.446 5.154 0.204 12 0 "[ . 1 . 2]" 2
571 2 14 GLU HA 2 55 TRP HA 2.500 . 2.750 2.457 2.125 2.768 0.018 9 0 "[ . 1 . 2]" 2
572 2 15 LEU QB 2 27 VAL MG1 5.000 . 5.500 3.500 2.286 4.450 . 0 0 "[ . 1 . 2]" 2
573 2 15 LEU HA 2 54 ILE MD 5.000 . 5.500 5.376 4.947 5.611 0.111 8 0 "[ . 1 . 2]" 2
574 2 15 LEU MD2 2 54 ILE H 5.000 . 5.500 5.233 4.495 5.562 0.062 5 0 "[ . 1 . 2]" 2
575 2 15 LEU HA 2 80 VAL HA 2.500 . 2.750 2.317 1.840 2.802 0.052 15 0 "[ . 1 . 2]" 2
576 2 15 LEU HA 2 80 VAL HB 4.000 . 4.400 4.210 3.870 4.521 0.121 3 0 "[ . 1 . 2]" 2
577 2 15 LEU HA 2 80 VAL MG1 5.500 . 6.050 5.001 3.228 5.369 . 0 0 "[ . 1 . 2]" 2
578 2 15 LEU HA 2 80 VAL MG2 4.000 . 4.400 3.452 2.920 4.733 0.333 6 0 "[ . 1 . 2]" 2
579 2 15 LEU HG 2 80 VAL HA 5.000 . 5.500 5.052 4.514 5.546 0.046 9 0 "[ . 1 . 2]" 2
580 2 15 LEU QB 2 80 VAL HA 4.000 . 4.400 3.347 2.221 4.567 0.167 3 0 "[ . 1 . 2]" 2
581 2 16 THR HA 2 17 VAL MG1 5.500 . 6.050 3.745 3.518 3.981 . 0 0 "[ . 1 . 2]" 2
582 2 16 THR MG 2 17 VAL HB 5.000 . 5.500 5.689 5.535 5.776 0.276 5 0 "[ . 1 . 2]" 2
583 2 16 THR HA 2 53 HIS HA 2.500 . 2.750 2.240 1.781 2.744 0.019 5 0 "[ . 1 . 2]" 2
584 2 16 THR MG 2 53 HIS HA 4.500 . 4.950 3.677 2.804 4.351 . 0 0 "[ . 1 . 2]" 2
585 2 16 THR H 2 77 VAL MG2 4.500 . 4.950 4.932 4.591 5.099 0.149 10 0 "[ . 1 . 2]" 2
586 2 16 THR HA 2 78 VAL MG2 4.500 . 4.950 5.003 4.896 5.057 0.107 13 0 "[ . 1 . 2]" 2
587 2 16 THR HB 2 78 VAL QG 4.500 . 4.950 3.745 3.329 4.060 . 0 0 "[ . 1 . 2]" 2
588 2 16 THR MG 2 78 VAL H 4.500 . 4.950 3.969 3.644 4.256 . 0 0 "[ . 1 . 2]" 2
589 2 16 THR MG 2 78 VAL HA 5.000 . 5.500 5.166 4.729 5.550 0.050 7 0 "[ . 1 . 2]" 2
590 2 16 THR HB 2 79 LYS HB2 5.000 . 5.500 2.074 1.779 2.777 0.021 13 0 "[ . 1 . 2]" 2
591 2 16 THR HB 2 79 LYS HB3 5.500 . 6.050 3.753 3.468 4.446 . 0 0 "[ . 1 . 2]" 2
592 2 16 THR MG 2 79 LYS H 4.500 . 4.950 3.614 3.039 4.101 . 0 0 "[ . 1 . 2]" 2
593 2 16 THR MG 2 79 LYS HG3 5.000 . 5.500 3.835 3.325 4.959 . 0 0 "[ . 1 . 2]" 2
594 2 16 THR MG 2 79 LYS QB 5.000 . 5.500 3.358 2.824 4.073 . 0 0 "[ . 1 . 2]" 2
595 2 16 THR MG 2 79 LYS QE 5.500 . 6.050 4.181 2.310 5.950 . 0 0 "[ . 1 . 2]" 2
596 2 17 VAL MG1 2 18 ARG H 4.500 . 4.950 4.107 4.016 4.206 . 0 0 "[ . 1 . 2]" 2
597 2 17 VAL MG2 2 18 ARG H 3.500 . 3.850 3.474 3.235 3.754 . 0 0 "[ . 1 . 2]" 2
598 2 17 VAL MG2 2 18 ARG HA 5.000 . 5.500 3.663 3.401 4.035 . 0 0 "[ . 1 . 2]" 2
599 2 17 VAL HA 2 23 VAL MG2 4.500 . 4.950 4.999 4.667 5.167 0.217 16 0 "[ . 1 . 2]" 2
600 2 17 VAL MG2 2 23 VAL H 5.000 . 5.500 5.069 4.681 5.368 . 0 0 "[ . 1 . 2]" 2
601 2 17 VAL MG2 2 23 VAL HB 5.500 . 6.050 2.847 2.424 3.376 . 0 0 "[ . 1 . 2]" 2
602 2 17 VAL MG2 2 23 VAL MG1 5.500 . 6.050 2.753 1.780 3.995 0.020 7 0 "[ . 1 . 2]" 2
603 2 17 VAL MG2 2 23 VAL MG2 5.000 . 5.500 2.411 1.962 2.944 . 0 0 "[ . 1 . 2]" 2
604 2 17 VAL MG2 2 52 SER HB2 4.000 . 4.400 3.668 2.282 4.412 0.012 1 0 "[ . 1 . 2]" 2
605 2 17 VAL MG1 2 53 HIS HA 4.000 . 4.400 4.532 4.394 4.703 0.303 8 0 "[ . 1 . 2]" 2
606 2 17 VAL MG2 2 76 ASP HA 5.500 . 6.050 5.119 4.632 5.619 . 0 0 "[ . 1 . 2]" 2
607 2 17 VAL HA 2 77 VAL HA 4.500 . 4.950 2.561 2.209 3.053 . 0 0 "[ . 1 . 2]" 2
608 2 17 VAL HA 2 77 VAL MG2 4.500 . 4.950 4.122 3.866 4.423 . 0 0 "[ . 1 . 2]" 2
609 2 17 VAL H 2 78 VAL MG2 4.500 . 4.950 4.349 4.125 4.522 . 0 0 "[ . 1 . 2]" 2
610 2 17 VAL HA 2 78 VAL HB 4.500 . 4.950 4.008 3.549 4.238 . 0 0 "[ . 1 . 2]" 2
611 2 17 VAL HA 2 78 VAL MG2 4.500 . 4.950 2.403 2.115 2.624 . 0 0 "[ . 1 . 2]" 2
612 2 18 ARG H 2 23 VAL MG2 4.500 . 4.950 4.443 3.990 4.963 0.013 16 0 "[ . 1 . 2]" 2
613 2 18 ARG HG3 2 76 ASP HA 4.500 . 4.950 3.576 2.836 4.180 . 0 0 "[ . 1 . 2]" 2
614 2 18 ARG HD3 2 76 ASP HA 4.500 . 4.950 4.585 3.601 5.031 0.081 11 0 "[ . 1 . 2]" 2
615 2 18 ARG H 2 78 VAL MG2 4.500 . 4.950 2.355 2.083 2.587 . 0 0 "[ . 1 . 2]" 2
616 2 18 ARG HD3 2 78 VAL MG1 4.500 . 4.950 5.030 4.961 5.094 0.144 9 0 "[ . 1 . 2]" 2
617 2 18 ARG HD3 2 78 VAL MG2 4.500 . 4.950 3.431 3.249 3.623 . 0 0 "[ . 1 . 2]" 2
618 2 20 HIS HA 2 23 VAL MG1 6.000 . 6.600 5.038 3.751 6.261 . 0 0 "[ . 1 . 2]" 2
619 2 20 HIS HB3 2 23 VAL MG1 4.500 . 4.950 3.919 1.941 5.214 0.264 3 0 "[ . 1 . 2]" 2
620 2 20 HIS HD2 2 23 VAL MG1 4.500 . 4.950 4.124 2.397 4.987 0.037 13 0 "[ . 1 . 2]" 2
621 2 22 GLY H 2 23 VAL MG2 5.000 . 5.500 3.752 3.270 4.112 . 0 0 "[ . 1 . 2]" 2
622 2 23 VAL MG1 2 24 MET H 5.000 . 5.500 3.859 3.519 4.154 . 0 0 "[ . 1 . 2]" 2
623 2 23 VAL HA 2 26 HIS HD2 4.500 . 4.950 4.199 3.274 4.942 . 0 0 "[ . 1 . 2]" 2
624 2 23 VAL MG1 2 26 HIS HD2 5.000 . 5.500 5.436 4.698 5.675 0.175 7 0 "[ . 1 . 2]" 2
625 2 23 VAL MG2 2 26 HIS H 5.000 . 5.500 5.117 4.784 5.485 . 0 0 "[ . 1 . 2]" 2
626 2 23 VAL MG2 2 26 HIS QB 4.500 . 4.950 4.676 4.359 5.004 0.054 8 0 "[ . 1 . 2]" 2
627 2 23 VAL MG1 2 76 ASP HA 4.500 . 4.950 3.563 2.312 4.261 . 0 0 "[ . 1 . 2]" 2
628 2 23 VAL MG1 2 76 ASP HB2 4.500 . 4.950 2.711 1.972 3.660 . 0 0 "[ . 1 . 2]" 2
629 2 23 VAL MG1 2 76 ASP HB3 4.500 . 4.950 2.238 1.776 3.493 0.024 18 0 "[ . 1 . 2]" 2
630 2 23 VAL MG2 2 76 ASP HA 4.500 . 4.950 4.292 3.296 5.137 0.187 1 0 "[ . 1 . 2]" 2
631 2 25 THR MG 2 26 HIS H 4.500 . 4.950 3.952 3.514 4.118 . 0 0 "[ . 1 . 2]" 2
632 2 25 THR MG 2 26 HIS HA 5.000 . 5.500 4.400 3.502 5.580 0.080 7 0 "[ . 1 . 2]" 2
633 2 25 THR MG 2 26 HIS HD2 4.500 . 4.950 4.089 3.647 5.119 0.169 9 0 "[ . 1 . 2]" 2
634 2 25 THR MG 2 28 CYS HB3 5.000 . 5.500 5.203 4.290 5.601 0.101 3 0 "[ . 1 . 2]" 2
635 2 26 HIS H 2 27 VAL MG1 4.500 . 4.950 4.159 3.807 4.340 . 0 0 "[ . 1 . 2]" 2
636 2 26 HIS HA 2 27 VAL H 3.800 . 4.180 3.594 3.562 3.632 . 0 0 "[ . 1 . 2]" 2
637 2 26 HIS HB3 2 27 VAL H 4.500 . 4.950 3.444 2.421 3.771 . 0 0 "[ . 1 . 2]" 2
638 2 26 HIS HB3 2 27 VAL MG1 4.500 . 4.950 3.915 2.998 4.194 . 0 0 "[ . 1 . 2]" 2
639 2 26 HIS HA 2 30 LEU MD2 4.500 . 4.950 3.724 2.878 4.816 . 0 0 "[ . 1 . 2]" 2
640 2 27 VAL HB 2 28 CYS HA 4.500 . 4.950 4.688 4.558 4.846 . 0 0 "[ . 1 . 2]" 2
641 2 27 VAL MG1 2 28 CYS H 4.500 . 4.950 3.883 3.746 3.957 . 0 0 "[ . 1 . 2]" 2
642 2 27 VAL MG1 2 28 CYS HA 5.500 . 6.050 5.525 5.496 5.560 . 0 0 "[ . 1 . 2]" 2
643 2 27 VAL MG2 2 28 CYS HA 4.500 . 4.950 3.258 3.167 3.344 . 0 0 "[ . 1 . 2]" 2
644 2 27 VAL HA 2 30 LEU QD 5.000 . 5.500 3.285 2.765 4.302 . 0 0 "[ . 1 . 2]" 2
645 2 27 VAL MG2 2 31 PHE QD 5.500 . 6.050 4.029 3.555 5.077 . 0 0 "[ . 1 . 2]" 2
646 2 27 VAL MG2 2 31 PHE QE 5.500 . 6.050 4.092 2.965 5.328 . 0 0 "[ . 1 . 2]" 2
647 2 28 CYS HA 2 41 ILE MD 4.500 . 4.950 4.496 3.513 4.900 . 0 0 "[ . 1 . 2]" 2
648 2 29 GLY QA 2 30 LEU H 3.800 . 4.180 2.701 2.612 2.825 . 0 0 "[ . 1 . 2]" 2
649 2 29 GLY QA 2 32 ALA MB 4.500 . 4.950 2.792 2.279 3.287 . 0 0 "[ . 1 . 2]" 2
650 2 30 LEU HB2 2 31 PHE H 5.000 . 5.500 2.950 2.560 3.543 . 0 0 "[ . 1 . 2]" 2
651 2 30 LEU HB3 2 31 PHE H 5.000 . 5.500 3.310 2.504 3.834 . 0 0 "[ . 1 . 2]" 2
652 2 30 LEU MD2 2 31 PHE H 4.500 . 4.950 4.415 4.186 4.834 . 0 0 "[ . 1 . 2]" 2
653 2 30 LEU H 2 32 ALA MB 5.500 . 6.050 4.785 4.421 5.023 . 0 0 "[ . 1 . 2]" 2
654 2 30 LEU HA 2 33 ARG HG3 4.500 . 4.950 3.673 3.235 4.252 . 0 0 "[ . 1 . 2]" 2
655 2 30 LEU HA 2 33 ARG HD2 5.500 . 6.050 2.928 1.970 3.387 . 0 0 "[ . 1 . 2]" 2
656 2 30 LEU HA 2 33 ARG HD3 5.500 . 6.050 2.536 2.189 2.805 . 0 0 "[ . 1 . 2]" 2
657 2 30 LEU MD1 2 33 ARG QD 4.000 . 4.400 2.312 1.834 4.463 0.063 5 0 "[ . 1 . 2]" 2
658 2 30 LEU MD2 2 33 ARG QD 4.500 . 4.950 3.245 1.769 3.709 0.031 5 0 "[ . 1 . 2]" 2
659 2 30 LEU MD1 2 70 GLN H 5.500 . 6.050 4.549 3.939 6.082 0.032 5 0 "[ . 1 . 2]" 2
660 2 30 LEU MD1 2 70 GLN HG2 5.000 . 5.500 4.473 3.915 5.368 . 0 0 "[ . 1 . 2]" 2
661 2 30 LEU MD2 2 70 GLN H 5.500 . 6.050 6.105 5.941 6.365 0.315 9 0 "[ . 1 . 2]" 2
662 2 30 LEU MD2 2 70 GLN HG2 5.500 . 6.050 5.516 4.450 6.030 . 0 0 "[ . 1 . 2]" 2
663 2 30 LEU MD2 2 70 GLN HE22 5.500 . 6.050 2.368 1.757 3.772 0.043 5 0 "[ . 1 . 2]" 2
664 2 30 LEU HA 2 71 ILE MG 5.500 . 6.050 6.055 5.785 6.353 0.303 5 0 "[ . 1 . 2]" 2
665 2 30 LEU MD1 2 71 ILE H 5.500 . 6.050 3.627 2.817 4.272 . 0 0 "[ . 1 . 2]" 2
666 2 30 LEU MD1 2 71 ILE HA 5.500 . 6.050 4.057 2.755 4.475 . 0 0 "[ . 1 . 2]" 2
667 2 30 LEU MD2 2 71 ILE H 5.500 . 6.050 4.423 4.183 5.066 . 0 0 "[ . 1 . 2]" 2
668 2 30 LEU MD2 2 71 ILE HA 5.500 . 6.050 3.497 3.057 4.331 . 0 0 "[ . 1 . 2]" 2
669 2 31 PHE H 2 32 ALA MB 4.500 . 4.950 4.189 4.107 4.431 . 0 0 "[ . 1 . 2]" 2
670 2 31 PHE HA 2 36 PHE HB3 6.500 . 7.150 7.076 6.763 7.308 0.158 8 0 "[ . 1 . 2]" 2
671 2 31 PHE HD2 2 56 LEU MD1 5.000 . 5.500 3.640 1.946 5.126 . 0 0 "[ . 1 . 2]" 2
672 2 31 PHE HE2 2 56 LEU MD1 4.500 . 4.950 3.630 2.421 4.992 0.042 7 0 "[ . 1 . 2]" 2
673 2 31 PHE QE 2 64 LEU MD1 4.500 . 4.950 3.135 1.783 3.879 0.017 4 0 "[ . 1 . 2]" 2
674 2 31 PHE QE 2 64 LEU MD2 5.500 . 6.050 3.596 2.033 4.957 . 0 0 "[ . 1 . 2]" 2
675 2 32 ALA MB 2 33 ARG HB3 4.500 . 4.950 3.823 3.523 3.998 . 0 0 "[ . 1 . 2]" 2
676 2 32 ALA MB 2 33 ARG QD 4.500 . 4.950 4.935 4.496 5.151 0.201 10 0 "[ . 1 . 2]" 2
677 2 33 ARG H 2 34 ARG HB2 5.000 . 5.500 4.824 4.440 5.727 0.227 15 0 "[ . 1 . 2]" 2
678 2 33 ARG H 2 34 ARG HB3 5.000 . 5.500 4.842 4.628 5.274 . 0 0 "[ . 1 . 2]" 2
679 2 33 ARG HA 2 34 ARG H 3.800 . 4.180 3.372 3.304 3.436 . 0 0 "[ . 1 . 2]" 2
680 2 33 ARG HB2 2 34 ARG H 4.500 . 4.950 4.346 4.248 4.413 . 0 0 "[ . 1 . 2]" 2
681 2 33 ARG HB3 2 34 ARG H 4.500 . 4.950 4.313 4.152 4.412 . 0 0 "[ . 1 . 2]" 2
682 2 34 ARG H 2 35 ALA MB . . 4.950 5.042 4.989 5.106 0.156 19 0 "[ . 1 . 2]" 2
683 2 34 ARG HA 2 35 ALA H 4.000 . 4.400 3.573 3.543 3.610 . 0 0 "[ . 1 . 2]" 2
684 2 34 ARG HA 2 35 ALA MB 4.500 . 4.950 4.196 4.060 4.298 . 0 0 "[ . 1 . 2]" 2
685 2 34 ARG HB2 2 35 ALA MB 4.500 . 4.950 4.841 3.581 4.997 0.047 17 0 "[ . 1 . 2]" 2
686 2 34 ARG HG3 2 35 ALA H 5.500 . 6.050 4.026 1.706 4.836 0.094 15 0 "[ . 1 . 2]" 2
687 2 35 ALA MB 2 36 PHE HA 5.500 . 6.050 3.974 3.716 4.161 . 0 0 "[ . 1 . 2]" 2
688 2 35 ALA MB 2 36 PHE HB3 5.000 . 5.500 3.943 3.559 4.910 . 0 0 "[ . 1 . 2]" 2
689 2 37 ASN HB2 2 38 VAL MG1 5.500 . 6.050 6.015 5.813 6.187 0.137 14 0 "[ . 1 . 2]" 2
690 2 37 ASN HB3 2 38 VAL MG1 5.500 . 6.050 5.450 5.099 5.771 . 0 0 "[ . 1 . 2]" 2
691 2 37 ASN HB3 2 38 VAL MG2 5.500 . 6.050 4.168 3.652 5.102 . 0 0 "[ . 1 . 2]" 2
692 2 38 VAL MG1 2 39 GLU H 4.500 . 4.950 2.548 2.311 2.978 . 0 0 "[ . 1 . 2]" 2
693 2 38 VAL MG1 2 39 GLU HB2 4.500 . 4.950 4.603 4.288 4.980 0.030 16 0 "[ . 1 . 2]" 2
694 2 38 VAL MG1 2 39 GLU HB3 5.000 . 5.500 3.966 3.695 4.740 . 0 0 "[ . 1 . 2]" 2
695 2 38 VAL MG2 2 39 GLU H 4.500 . 4.950 4.097 3.881 4.268 . 0 0 "[ . 1 . 2]" 2
696 2 38 VAL MG2 2 39 GLU HB2 6.000 . 6.600 6.169 5.926 6.377 . 0 0 "[ . 1 . 2]" 2
697 2 38 VAL MG2 2 39 GLU HB3 6.000 . 6.600 6.045 5.713 6.449 . 0 0 "[ . 1 . 2]" 2
698 2 38 VAL MG2 2 41 ILE MG 5.000 . 5.500 4.808 4.363 5.347 . 0 0 "[ . 1 . 2]" 2
699 2 38 VAL MG2 2 41 ILE MD 5.500 . 6.050 3.204 2.657 3.948 . 0 0 "[ . 1 . 2]" 2
700 2 38 VAL MG1 2 56 LEU QD 4.000 . 4.400 2.199 1.828 2.775 . 0 0 "[ . 1 . 2]" 2
701 2 38 VAL MG1 2 57 LEU H 5.500 . 6.050 2.814 2.482 3.249 . 0 0 "[ . 1 . 2]" 2
702 2 38 VAL MG1 2 57 LEU HA 4.500 . 4.950 4.387 4.111 4.914 . 0 0 "[ . 1 . 2]" 2
703 2 38 VAL H 2 58 VAL MG2 4.500 . 4.950 4.304 3.898 4.742 . 0 0 "[ . 1 . 2]" 2
704 2 38 VAL HA 2 58 VAL MG2 4.000 . 4.400 2.626 2.221 3.072 . 0 0 "[ . 1 . 2]" 2
705 2 38 VAL MG1 2 58 VAL MG2 4.000 . 4.400 3.830 3.370 4.358 . 0 0 "[ . 1 . 2]" 2
706 2 38 VAL MG2 2 58 VAL MG2 4.000 . 4.400 3.185 2.426 3.700 . 0 0 "[ . 1 . 2]" 2
707 2 39 GLU H 2 57 LEU MD2 5.000 . 5.500 5.517 5.348 5.684 0.184 20 0 "[ . 1 . 2]" 2
708 2 39 GLU H 2 58 VAL MG2 5.500 . 6.050 3.692 3.297 4.069 . 0 0 "[ . 1 . 2]" 2
709 2 40 GLY H 2 57 LEU MD2 4.500 . 4.950 3.807 3.595 4.136 . 0 0 "[ . 1 . 2]" 2
710 2 40 GLY QA 2 57 LEU MD2 5.500 . 6.050 2.589 2.126 3.026 . 0 0 "[ . 1 . 2]" 2
711 2 41 ILE HA 2 42 LEU H 2.500 . 2.750 2.252 2.194 2.307 . 0 0 "[ . 1 . 2]" 2
712 2 41 ILE MG 2 42 LEU H 4.500 . 4.950 2.395 2.265 2.569 . 0 0 "[ . 1 . 2]" 2
713 2 41 ILE MG 2 42 LEU HA 4.500 . 4.950 3.260 3.095 3.584 . 0 0 "[ . 1 . 2]" 2
714 2 41 ILE MD 2 42 LEU H 5.000 . 5.500 4.978 4.798 5.177 . 0 0 "[ . 1 . 2]" 2
715 2 42 LEU HA 2 43 CYS H 2.500 . 2.750 2.214 2.119 2.306 . 0 0 "[ . 1 . 2]" 2
716 2 42 LEU HG 2 43 CYS HA 5.000 . 5.500 4.366 3.615 4.706 . 0 0 "[ . 1 . 2]" 2
717 2 42 LEU QD 2 43 CYS H 4.500 . 4.950 2.740 1.690 3.292 0.110 12 0 "[ . 1 . 2]" 2
718 2 42 LEU QD 2 43 CYS HA 5.000 . 5.500 4.236 3.954 4.598 . 0 0 "[ . 1 . 2]" 2
719 2 42 LEU QD 2 44 LEU MD1 4.000 . 4.400 2.744 1.969 3.819 . 0 0 "[ . 1 . 2]" 2
720 2 42 LEU QD 2 44 LEU MD2 4.500 . 4.950 3.565 2.082 4.056 . 0 0 "[ . 1 . 2]" 2
721 2 42 LEU HG 2 54 ILE HA 5.000 . 5.500 4.834 4.528 5.066 . 0 0 "[ . 1 . 2]" 2
722 2 42 LEU QD 2 55 TRP HZ3 4.500 . 4.950 3.340 2.705 4.625 . 0 0 "[ . 1 . 2]" 2
723 2 42 LEU QD 2 55 TRP HB3 5.000 . 5.500 4.503 3.618 5.547 0.047 8 0 "[ . 1 . 2]" 2
724 2 42 LEU QD 2 90 PHE QD 5.500 . 6.050 2.597 1.585 3.683 0.215 19 0 "[ . 1 . 2]" 2
725 2 42 LEU QD 2 93 ILE MG 5.500 . 5.500 4.139 3.521 4.268 . 0 0 "[ . 1 . 2]" 2
726 2 42 LEU QD 2 93 ILE MD 5.000 . 5.500 1.966 1.712 2.603 0.088 12 0 "[ . 1 . 2]" 2
727 2 42 LEU QD 2 93 ILE H 5.000 . 5.500 4.367 3.987 5.065 . 0 0 "[ . 1 . 2]" 2
728 2 42 LEU QD 2 94 ALA MB 5.000 . 5.500 2.748 1.994 4.684 . 0 0 "[ . 1 . 2]" 2
729 2 43 CYS HA 2 44 LEU H 2.500 . 2.750 2.169 2.136 2.209 . 0 0 "[ . 1 . 2]" 2
730 2 43 CYS HA 2 54 ILE MG 4.500 . 4.950 3.237 2.753 4.155 . 0 0 "[ . 1 . 2]" 2
731 2 43 CYS HB3 2 54 ILE MG 4.500 . 4.950 4.173 3.633 4.990 0.040 9 0 "[ . 1 . 2]" 2
732 2 43 CYS HB3 2 54 ILE MD 5.000 . 5.500 4.780 4.249 5.006 . 0 0 "[ . 1 . 2]" 2
733 2 44 LEU HA 2 45 PRO HB2 5.500 . 6.050 5.634 5.539 5.683 . 0 0 "[ . 1 . 2]" 2
734 2 44 LEU HA 2 45 PRO HB3 5.000 . 5.500 5.080 4.752 5.196 . 0 0 "[ . 1 . 2]" 2
735 2 44 LEU HA 2 45 PRO HD2 4.500 . 4.950 2.148 1.969 2.539 . 0 0 "[ . 1 . 2]" 2
736 2 44 LEU HA 2 45 PRO HD3 5.000 . 5.500 2.559 2.244 2.732 . 0 0 "[ . 1 . 2]" 2
737 2 44 LEU HA 2 45 PRO QG 4.500 . 4.950 3.958 3.828 4.054 . 0 0 "[ . 1 . 2]" 2
738 2 44 LEU MD1 2 45 PRO HD2 4.500 . 4.950 2.914 2.347 4.161 . 0 0 "[ . 1 . 2]" 2
739 2 44 LEU MD1 2 45 PRO HD3 4.500 . 4.950 4.067 3.762 4.969 0.019 10 0 "[ . 1 . 2]" 2
740 2 44 LEU MD1 2 45 PRO QG 4.500 . 4.950 4.334 3.741 5.033 0.083 16 0 "[ . 1 . 2]" 2
741 2 44 LEU H 2 54 ILE MD 5.500 . 6.050 4.359 3.997 4.754 . 0 0 "[ . 1 . 2]" 2
742 2 44 LEU MD1 2 55 TRP HZ2 5.500 . 6.050 5.948 3.961 6.306 0.256 2 0 "[ . 1 . 2]" 2
743 2 44 LEU MD1 2 55 TRP HZ3 5.500 . 6.050 3.473 2.234 5.098 . 0 0 "[ . 1 . 2]" 2
744 2 44 LEU MD1 2 93 ILE H 5.500 . 6.050 6.077 5.830 6.275 0.225 10 0 "[ . 1 . 2]" 2
745 2 44 LEU MD1 2 93 ILE HG13 5.500 . 6.050 4.031 3.107 4.650 . 0 0 "[ . 1 . 2]" 2
746 2 44 LEU MD1 2 93 ILE MG 5.000 . 5.500 5.053 3.862 5.564 0.064 1 0 "[ . 1 . 2]" 2
747 2 44 LEU MD1 2 93 ILE MD 5.500 . 6.050 4.314 1.838 5.437 . 0 0 "[ . 1 . 2]" 2
748 2 44 LEU MD2 2 93 ILE H 5.500 . 6.050 5.340 4.676 6.141 0.091 18 0 "[ . 1 . 2]" 2
749 2 44 LEU MD2 2 93 ILE MG 5.000 . 5.500 3.719 2.179 4.864 . 0 0 "[ . 1 . 2]" 2
750 2 44 LEU MD2 2 93 ILE MD 5.500 . 6.050 3.800 1.949 4.517 . 0 0 "[ . 1 . 2]" 2
751 2 44 LEU MD1 2 94 ALA H 5.500 . 6.050 4.837 4.417 5.879 . 0 0 "[ . 1 . 2]" 2
752 2 44 LEU MD1 2 94 ALA MB 5.000 . 5.500 4.056 3.528 5.561 0.061 8 0 "[ . 1 . 2]" 2
753 2 44 LEU MD2 2 94 ALA H 5.500 . 6.050 4.761 3.559 5.757 . 0 0 "[ . 1 . 2]" 2
754 2 44 LEU MD2 2 94 ALA HA 5.500 . 6.050 3.899 2.015 5.933 . 0 0 "[ . 1 . 2]" 2
755 2 44 LEU MD2 2 94 ALA MB 5.500 . 6.050 4.774 3.205 6.087 0.037 19 0 "[ . 1 . 2]" 2
756 2 45 PRO HA 2 46 ILE MD 4.500 . 4.950 3.997 2.817 4.604 . 0 0 "[ . 1 . 2]" 2
757 2 45 PRO QG 2 46 ILE HA 5.000 . 5.500 5.203 5.001 5.428 . 0 0 "[ . 1 . 2]" 2
758 2 46 ILE HA 2 47 GLN H 3.500 . 3.850 2.169 2.119 2.246 . 0 0 "[ . 1 . 2]" 2
759 2 46 ILE HA 2 47 GLN QG 6.500 . 7.150 4.233 3.558 5.812 . 0 0 "[ . 1 . 2]" 2
760 2 46 ILE HB 2 47 GLN QG 6.500 . 7.150 5.986 5.529 7.079 . 0 0 "[ . 1 . 2]" 2
761 2 46 ILE MG 2 47 GLN H 4.500 . 4.950 2.944 2.446 3.343 . 0 0 "[ . 1 . 2]" 2
762 2 46 ILE HG13 2 47 GLN QG 4.500 . 4.950 3.885 3.320 4.963 0.013 11 0 "[ . 1 . 2]" 2
763 2 46 ILE MD 2 47 GLN H 4.500 . 4.950 4.140 3.694 4.997 0.047 19 0 "[ . 1 . 2]" 2
764 2 46 ILE MG 2 49 SER HB2 4.500 . 4.950 3.606 2.361 5.068 0.118 5 0 "[ . 1 . 2]" 2
765 2 46 ILE MG 2 49 SER HB3 4.500 . 4.950 4.686 3.875 5.084 0.134 3 0 "[ . 1 . 2]" 2
766 2 46 ILE MG 2 52 SER H 6.500 . 7.150 5.671 5.068 6.297 . 0 0 "[ . 1 . 2]" 2
767 2 46 ILE MD 2 52 SER H 5.500 . 6.050 4.623 3.074 5.613 . 0 0 "[ . 1 . 2]" 2
768 2 46 ILE MD 2 53 HIS QB 4.500 . 4.950 2.968 1.851 3.623 . 0 0 "[ . 1 . 2]" 2
769 2 46 ILE MD 2 53 HIS HA 4.500 . 4.950 4.606 4.117 5.112 0.162 4 0 "[ . 1 . 2]" 2
770 2 47 GLN HA 2 48 ASP HA 4.500 . 4.950 4.823 4.646 4.947 . 0 0 "[ . 1 . 2]" 2
771 2 47 GLN HA 2 48 ASP HB2 6.500 . 7.150 6.039 5.727 6.734 . 0 0 "[ . 1 . 2]" 2
772 2 47 GLN HA 2 48 ASP HB3 6.500 . 7.150 5.715 5.205 6.631 . 0 0 "[ . 1 . 2]" 2
773 2 47 GLN HB2 2 48 ASP H 4.500 . 4.950 4.066 3.907 4.197 . 0 0 "[ . 1 . 2]" 2
774 2 47 GLN HB3 2 48 ASP H 4.500 . 4.950 3.885 2.575 4.338 . 0 0 "[ . 1 . 2]" 2
775 2 47 GLN HB3 2 48 ASP HA 5.000 . 5.500 5.415 4.350 5.773 0.273 12 0 "[ . 1 . 2]" 2
776 2 47 GLN QG 2 48 ASP H 4.500 . 4.950 2.747 2.274 3.445 . 0 0 "[ . 1 . 2]" 2
777 2 47 GLN QG 2 48 ASP HA 4.500 . 4.950 3.291 2.863 3.569 . 0 0 "[ . 1 . 2]" 2
778 2 47 GLN QG 2 48 ASP HB2 4.500 . 4.950 3.806 2.828 4.598 . 0 0 "[ . 1 . 2]" 2
779 2 47 GLN HG3 2 48 ASP HB3 4.500 . 4.950 4.558 3.268 5.182 0.232 7 0 "[ . 1 . 2]" 2
780 2 47 GLN QG 2 49 SER H 4.500 . 4.950 4.822 4.446 5.070 0.120 13 0 "[ . 1 . 2]" 2
781 2 51 LYS HA 2 52 SER HB2 5.000 . 5.500 4.384 4.141 4.506 . 0 0 "[ . 1 . 2]" 2
782 2 51 LYS HA 2 52 SER HB3 5.000 . 5.500 4.824 4.222 5.664 0.164 8 0 "[ . 1 . 2]" 2
783 2 53 HIS HA 2 54 ILE H 2.500 . 2.750 2.184 2.079 2.258 . 0 0 "[ . 1 . 2]" 2
784 2 54 ILE HA 2 55 TRP H 2.500 . 2.750 2.196 2.138 2.249 . 0 0 "[ . 1 . 2]" 2
785 2 54 ILE MG 2 55 TRP H 4.500 . 4.950 3.031 2.510 3.311 . 0 0 "[ . 1 . 2]" 2
786 2 54 ILE MG 2 55 TRP HA 4.500 . 4.950 3.950 3.648 4.159 . 0 0 "[ . 1 . 2]" 2
787 2 55 TRP HA 2 56 LEU H 2.500 . 2.750 2.161 2.029 2.220 . 0 0 "[ . 1 . 2]" 2
788 2 55 TRP HB3 2 57 LEU MD1 5.500 . 6.050 3.008 2.618 5.461 . 0 0 "[ . 1 . 2]" 2
789 2 55 TRP HB3 2 57 LEU MD2 6.500 . 7.150 4.956 2.386 5.477 . 0 0 "[ . 1 . 2]" 2
790 2 56 LEU H 2 57 LEU MD1 4.500 . 4.950 4.091 3.654 4.984 0.034 8 0 "[ . 1 . 2]" 2
791 2 56 LEU HA 2 57 LEU H 2.500 . 2.750 2.132 2.099 2.206 . 0 0 "[ . 1 . 2]" 2
792 2 56 LEU HA 2 57 LEU MD1 4.500 . 4.950 3.630 3.292 4.655 . 0 0 "[ . 1 . 2]" 2
793 2 56 LEU MD1 2 57 LEU H 5.000 . 5.500 4.014 2.929 5.457 . 0 0 "[ . 1 . 2]" 2
794 2 56 LEU MD2 2 57 LEU H 4.500 . 4.950 4.473 3.105 5.000 0.050 12 0 "[ . 1 . 2]" 2
795 2 57 LEU HA 2 58 VAL H 2.500 . 2.750 2.166 2.114 2.225 . 0 0 "[ . 1 . 2]" 2
796 2 57 LEU MD1 2 58 VAL H 4.500 . 4.950 4.409 3.849 4.664 . 0 0 "[ . 1 . 2]" 2
797 2 57 LEU MD2 2 58 VAL H 5.500 . 6.050 5.284 4.773 5.505 . 0 0 "[ . 1 . 2]" 2
798 2 57 LEU MD2 2 58 VAL HA 5.500 . 6.050 6.126 6.001 6.241 0.191 4 0 "[ . 1 . 2]" 2
799 2 57 LEU MD2 2 90 PHE H 5.500 . 6.050 4.916 3.598 6.266 0.216 7 0 "[ . 1 . 2]" 2
800 2 58 VAL H 2 59 ASN HA 5.000 . 5.500 4.679 4.553 4.814 . 0 0 "[ . 1 . 2]" 2
801 2 58 VAL HB 2 59 ASN H 4.500 . 4.950 4.204 4.115 4.306 . 0 0 "[ . 1 . 2]" 2
802 2 58 VAL MG1 2 59 ASN QB 4.500 . 4.950 5.036 4.899 5.143 0.193 17 0 "[ . 1 . 2]" 2
803 2 58 VAL MG2 2 59 ASN H 4.500 . 4.950 2.385 2.277 2.563 . 0 0 "[ . 1 . 2]" 2
804 2 60 ASP H 2 64 LEU MD1 5.000 . 5.500 5.672 5.465 5.943 0.443 8 0 "[ . 1 . 2]" 2
805 2 60 ASP H 2 64 LEU MD2 4.500 . 4.950 4.331 3.673 5.145 0.195 4 0 "[ . 1 . 2]" 2
806 2 60 ASP HA 2 64 LEU HG 5.000 . 5.500 3.668 1.874 5.188 . 0 0 "[ . 1 . 2]" 2
807 2 60 ASP HA 2 64 LEU MD1 5.500 . 6.050 3.747 3.214 4.303 . 0 0 "[ . 1 . 2]" 2
808 2 60 ASP HA 2 64 LEU MD2 5.500 . 6.050 2.299 1.724 3.347 0.076 20 0 "[ . 1 . 2]" 2
809 2 61 ASP HA 2 62 GLN HA 5.500 . 6.050 4.389 4.313 4.479 . 0 0 "[ . 1 . 2]" 2
810 2 61 ASP HA 2 62 GLN QB 4.500 . 4.950 4.671 4.568 4.749 . 0 0 "[ . 1 . 2]" 2
811 2 61 ASP HA 2 62 GLN QG 4.500 . 4.950 3.760 3.580 4.021 . 0 0 "[ . 1 . 2]" 2
812 2 61 ASP HB2 2 63 ARG QB 5.500 . 6.050 4.953 4.059 6.210 0.160 3 0 "[ . 1 . 2]" 2
813 2 61 ASP H 2 64 LEU MD1 5.000 . 5.500 3.959 3.542 4.372 . 0 0 "[ . 1 . 2]" 2
814 2 61 ASP H 2 64 LEU MD2 4.500 . 4.950 2.762 2.298 3.651 . 0 0 "[ . 1 . 2]" 2
815 2 61 ASP HB2 2 64 LEU MD1 4.500 . 4.950 4.532 3.677 5.172 0.222 4 0 "[ . 1 . 2]" 2
816 2 61 ASP HB3 2 64 LEU MD1 4.500 . 4.950 3.948 3.172 4.889 . 0 0 "[ . 1 . 2]" 2
817 2 62 GLN QB 2 63 ARG QB 4.000 . 4.400 4.000 3.677 4.475 0.075 18 0 "[ . 1 . 2]" 2
818 2 62 GLN QG 2 63 ARG H 4.500 . 4.950 4.057 3.906 4.217 . 0 0 "[ . 1 . 2]" 2
819 2 64 LEU HB3 2 65 GLU HA 4.500 . 4.950 4.127 3.852 4.701 . 0 0 "[ . 1 . 2]" 2
820 2 64 LEU MD1 2 68 ILE H 5.000 . 5.500 4.606 3.487 5.546 0.046 3 0 "[ . 1 . 2]" 2
821 2 64 LEU MD1 2 68 ILE HA 6.000 . 6.600 5.450 4.348 6.227 . 0 0 "[ . 1 . 2]" 2
822 2 65 GLU HG2 2 66 GLN H 4.500 . 4.950 4.978 4.507 5.078 0.128 20 0 "[ . 1 . 2]" 2
823 2 65 GLU HG3 2 66 GLN H 4.500 . 4.950 4.264 3.777 4.544 . 0 0 "[ . 1 . 2]" 2
824 2 65 GLU HA 2 68 ILE H 3.800 . 4.180 3.305 3.024 3.639 . 0 0 "[ . 1 . 2]" 2
825 2 65 GLU HA 2 68 ILE MD 4.500 . 4.950 2.031 1.817 2.466 . 0 0 "[ . 1 . 2]" 2
826 2 65 GLU HG3 2 68 ILE MD 4.500 . 4.950 3.970 3.503 4.551 . 0 0 "[ . 1 . 2]" 2
827 2 65 GLU QB 2 69 SER QB 5.500 . 6.050 4.779 4.138 5.456 . 0 0 "[ . 1 . 2]" 2
828 2 67 MET H 2 68 ILE MD 5.000 . 5.500 5.112 4.937 5.389 . 0 0 "[ . 1 . 2]" 2
829 2 67 MET HA 2 70 GLN H 5.500 . 6.050 3.313 2.999 3.628 . 0 0 "[ . 1 . 2]" 2
830 2 68 ILE H 2 69 SER QB 4.500 . 4.950 4.505 4.258 4.796 . 0 0 "[ . 1 . 2]" 2
831 2 68 ILE HA 2 69 SER H 3.800 . 4.180 3.547 3.528 3.591 . 0 0 "[ . 1 . 2]" 2
832 2 68 ILE HA 2 69 SER QB 5.000 . 5.500 5.381 5.229 5.569 0.069 11 0 "[ . 1 . 2]" 2
833 2 68 ILE HB 2 69 SER H 4.500 . 4.950 2.657 2.396 2.870 . 0 0 "[ . 1 . 2]" 2
834 2 68 ILE HB 2 69 SER QB 5.000 . 5.500 4.352 3.862 4.935 . 0 0 "[ . 1 . 2]" 2
835 2 68 ILE MG 2 69 SER H 4.500 . 4.950 3.376 2.957 3.603 . 0 0 "[ . 1 . 2]" 2
836 2 68 ILE MG 2 69 SER HA 4.500 . 4.950 3.463 3.095 3.649 . 0 0 "[ . 1 . 2]" 2
837 2 68 ILE MG 2 69 SER QB 4.500 . 4.950 4.363 3.715 4.838 . 0 0 "[ . 1 . 2]" 2
838 2 68 ILE MD 2 69 SER H 4.500 . 4.950 4.629 4.457 4.847 . 0 0 "[ . 1 . 2]" 2
839 2 68 ILE H 2 71 ILE MD 6.500 . 7.150 6.494 6.134 7.169 0.019 1 0 "[ . 1 . 2]" 2
840 2 68 ILE HA 2 71 ILE H 4.500 . 4.950 3.706 3.456 3.982 . 0 0 "[ . 1 . 2]" 2
841 2 69 SER HA 2 72 ASP H 4.500 . 4.950 3.786 3.494 4.156 . 0 0 "[ . 1 . 2]" 2
842 2 69 SER QB 2 72 ASP H 5.000 . 5.500 5.169 5.020 5.550 0.050 20 0 "[ . 1 . 2]" 2
843 2 69 SER QB 2 73 LYS HG2 5.000 . 5.500 5.209 4.568 5.674 0.174 19 0 "[ . 1 . 2]" 2
844 2 69 SER QB 2 73 LYS QE 5.500 . 6.050 4.845 3.400 6.172 0.122 11 0 "[ . 1 . 2]" 2
845 2 70 GLN HG2 2 71 ILE H 5.000 . 5.500 4.763 4.593 4.975 . 0 0 "[ . 1 . 2]" 2
846 2 70 GLN HG3 2 71 ILE H 5.000 . 5.500 4.887 4.749 5.172 . 0 0 "[ . 1 . 2]" 2
847 2 70 GLN HE22 2 71 ILE MG 5.000 . 5.500 5.131 3.843 5.646 0.146 15 0 "[ . 1 . 2]" 2
848 2 70 GLN HE22 2 71 ILE MD 5.500 . 6.050 5.240 4.286 5.954 . 0 0 "[ . 1 . 2]" 2
849 2 70 GLN HA 2 73 LYS H 3.800 . 4.180 3.920 3.660 4.184 0.004 20 0 "[ . 1 . 2]" 2
850 2 70 GLN HA 2 73 LYS HG2 5.000 . 5.500 3.297 2.584 5.085 . 0 0 "[ . 1 . 2]" 2
851 2 70 GLN HA 2 73 LYS HG3 5.000 . 5.500 3.499 2.366 4.032 . 0 0 "[ . 1 . 2]" 2
852 2 70 GLN HA 2 73 LYS HE2 5.500 . 6.050 5.060 4.289 6.240 0.190 8 0 "[ . 1 . 2]" 2
853 2 70 GLN HA 2 73 LYS HE3 5.500 . 6.050 5.117 2.984 6.247 0.197 6 0 "[ . 1 . 2]" 2
854 2 71 ILE MG 2 72 ASP HA 4.500 . 4.950 3.306 3.075 3.611 . 0 0 "[ . 1 . 2]" 2
855 2 71 ILE MD 2 72 ASP H 4.500 . 4.950 4.779 4.037 4.880 . 0 0 "[ . 1 . 2]" 2
856 2 71 ILE HA 2 74 LEU MD1 4.500 . 4.950 4.482 2.433 4.731 . 0 0 "[ . 1 . 2]" 2
857 2 71 ILE HA 2 74 LEU MD2 4.500 . 4.950 1.956 1.734 3.739 0.066 11 0 "[ . 1 . 2]" 2
858 2 71 ILE MD 2 76 ASP HB3 6.500 . 7.150 6.037 4.171 7.295 0.145 2 0 "[ . 1 . 2]" 2
859 2 72 ASP HB2 2 73 LYS H 4.500 . 4.950 4.130 4.005 4.343 . 0 0 "[ . 1 . 2]" 2
860 2 72 ASP HB3 2 73 LYS H 5.000 . 5.500 2.980 2.701 4.031 . 0 0 "[ . 1 . 2]" 2
861 2 72 ASP H 2 77 VAL MG2 5.000 . 5.500 4.399 3.797 5.111 . 0 0 "[ . 1 . 2]" 2
862 2 72 ASP HA 2 77 VAL MG2 5.000 . 5.500 3.298 2.662 4.206 . 0 0 "[ . 1 . 2]" 2
863 2 72 ASP H 2 80 VAL MG1 4.500 . 4.950 4.194 3.219 4.854 . 0 0 "[ . 1 . 2]" 2
864 2 72 ASP H 2 80 VAL MG2 4.500 . 4.950 4.447 3.993 5.010 0.060 19 0 "[ . 1 . 2]" 2
865 2 72 ASP HA 2 80 VAL MG1 4.500 . 4.950 3.438 2.209 4.119 . 0 0 "[ . 1 . 2]" 2
866 2 72 ASP HA 2 80 VAL MG2 4.500 . 4.950 4.156 3.342 4.868 . 0 0 "[ . 1 . 2]" 2
867 2 72 ASP HB2 2 80 VAL HB 4.500 . 4.950 3.289 2.799 3.746 . 0 0 "[ . 1 . 2]" 2
868 2 72 ASP HB3 2 80 VAL HB 4.500 . 4.950 4.865 3.097 5.343 0.393 6 0 "[ . 1 . 2]" 2
869 2 72 ASP QB 2 80 VAL MG1 5.000 . 5.500 2.087 1.751 2.603 0.049 8 0 "[ . 1 . 2]" 2
870 2 73 LYS H 2 74 LEU MD1 6.000 . 6.600 5.642 5.084 6.214 . 0 0 "[ . 1 . 2]" 2
871 2 73 LYS HA 2 74 LEU H 3.500 . 3.850 3.364 3.076 3.480 . 0 0 "[ . 1 . 2]" 2
872 2 73 LYS HA 2 74 LEU MD2 5.000 . 5.500 4.686 4.422 5.535 0.035 20 0 "[ . 1 . 2]" 2
873 2 74 LEU HA 2 75 GLU QG 4.500 . 4.950 3.550 3.333 3.793 . 0 0 "[ . 1 . 2]" 2
874 2 74 LEU MD1 2 77 VAL H 5.000 . 5.500 5.047 4.172 5.593 0.093 9 0 "[ . 1 . 2]" 2
875 2 74 LEU MD2 2 77 VAL H 5.000 . 5.500 5.049 1.861 5.489 . 0 0 "[ . 1 . 2]" 2
876 2 74 LEU MD2 2 77 VAL HB 4.500 . 4.950 4.817 2.440 5.203 0.253 6 0 "[ . 1 . 2]" 2
877 2 75 GLU HA 2 77 VAL H 4.500 . 4.950 4.404 4.146 4.680 . 0 0 "[ . 1 . 2]" 2
878 2 76 ASP H 2 77 VAL MG2 4.500 . 4.950 4.411 3.993 4.796 . 0 0 "[ . 1 . 2]" 2
879 2 76 ASP HA 2 77 VAL H 3.800 . 4.180 3.560 3.514 3.588 . 0 0 "[ . 1 . 2]" 2
880 2 77 VAL H 2 78 VAL MG1 6.500 . 7.150 6.718 6.544 6.816 . 0 0 "[ . 1 . 2]" 2
881 2 77 VAL H 2 78 VAL MG2 4.500 . 4.950 4.929 4.763 5.069 0.119 18 0 "[ . 1 . 2]" 2
882 2 77 VAL HA 2 78 VAL H 3.800 . 4.180 2.146 2.114 2.197 . 0 0 "[ . 1 . 2]" 2
883 2 77 VAL MG1 2 78 VAL MG2 4.500 . 4.950 4.598 4.419 4.794 . 0 0 "[ . 1 . 2]" 2
884 2 77 VAL MG2 2 78 VAL H 4.500 . 4.950 4.146 3.945 4.256 . 0 0 "[ . 1 . 2]" 2
885 2 77 VAL MG2 2 79 LYS H 5.000 . 5.500 4.794 4.308 4.974 . 0 0 "[ . 1 . 2]" 2
886 2 77 VAL MG2 2 79 LYS HA 5.500 . 6.050 6.037 5.757 6.150 0.100 3 0 "[ . 1 . 2]" 2
887 2 77 VAL MG2 2 80 VAL HA 4.500 . 4.950 4.971 4.802 5.100 0.150 1 0 "[ . 1 . 2]" 2
888 2 77 VAL MG2 2 80 VAL HB 4.500 . 4.950 4.077 3.599 5.205 0.255 6 0 "[ . 1 . 2]" 2
889 2 78 VAL HA 2 79 LYS H 3.500 . 3.850 3.548 3.510 3.571 . 0 0 "[ . 1 . 2]" 2
890 2 78 VAL HB 2 79 LYS H 4.000 . 4.400 2.515 2.330 2.741 . 0 0 "[ . 1 . 2]" 2
891 2 78 VAL MG1 2 79 LYS H 4.500 . 4.950 3.649 3.445 3.845 . 0 0 "[ . 1 . 2]" 2
892 2 78 VAL MG1 2 79 LYS HB2 5.500 . 6.050 4.280 3.896 4.556 . 0 0 "[ . 1 . 2]" 2
893 2 78 VAL MG1 2 79 LYS HB3 6.500 . 7.150 5.103 4.877 5.399 . 0 0 "[ . 1 . 2]" 2
894 2 78 VAL MG1 2 79 LYS HG3 5.500 . 6.050 2.538 2.245 2.953 . 0 0 "[ . 1 . 2]" 2
895 2 78 VAL MG1 2 79 LYS QE 5.500 . 6.050 3.585 3.096 5.390 . 0 0 "[ . 1 . 2]" 2
896 2 78 VAL MG2 2 79 LYS H 4.500 . 4.950 3.597 3.492 3.713 . 0 0 "[ . 1 . 2]" 2
897 2 78 VAL MG2 2 79 LYS HA 5.500 . 6.050 5.646 5.590 5.700 . 0 0 "[ . 1 . 2]" 2
898 2 78 VAL MG2 2 79 LYS HG3 5.500 . 6.050 4.730 4.475 5.018 . 0 0 "[ . 1 . 2]" 2
899 2 78 VAL MG2 2 79 LYS QE 6.500 . 7.150 5.687 5.004 6.829 . 0 0 "[ . 1 . 2]" 2
900 2 79 LYS H 2 80 VAL MG2 5.500 . 6.050 5.976 5.558 6.199 0.149 16 0 "[ . 1 . 2]" 2
901 2 79 LYS HA 2 80 VAL H 2.500 . 2.750 2.266 2.160 2.343 . 0 0 "[ . 1 . 2]" 2
902 2 79 LYS HA 2 80 VAL MG1 4.500 . 4.950 3.964 3.610 4.269 . 0 0 "[ . 1 . 2]" 2
903 2 79 LYS HB2 2 80 VAL H 4.500 . 4.950 3.979 3.798 4.284 . 0 0 "[ . 1 . 2]" 2
904 2 79 LYS HB3 2 80 VAL H 4.500 . 4.950 2.888 2.741 3.319 . 0 0 "[ . 1 . 2]" 2
905 2 79 LYS HG2 2 80 VAL H 4.500 . 4.950 4.222 3.957 4.363 . 0 0 "[ . 1 . 2]" 2
906 2 79 LYS HG3 2 80 VAL H 4.500 . 4.950 5.016 4.834 5.093 0.143 19 0 "[ . 1 . 2]" 2
907 2 79 LYS QD 2 80 VAL H 5.000 . 5.500 4.973 4.782 5.409 . 0 0 "[ . 1 . 2]" 2
908 2 80 VAL HA 2 81 GLN H 2.500 . 2.750 2.255 2.172 2.334 . 0 0 "[ . 1 . 2]" 2
909 2 80 VAL MG1 2 81 GLN H 4.500 . 4.950 3.791 3.501 4.310 . 0 0 "[ . 1 . 2]" 2
910 2 80 VAL MG2 2 81 GLN H 5.000 . 5.500 2.537 2.170 3.550 . 0 0 "[ . 1 . 2]" 2
911 2 84 GLN HA 2 85 SER HB2 4.500 . 4.950 4.501 4.275 4.799 . 0 0 "[ . 1 . 2]" 2
912 2 84 GLN HA 2 85 SER HB3 5.000 . 5.500 4.714 4.496 4.873 . 0 0 "[ . 1 . 2]" 2
913 2 85 SER HA 2 86 ASP H 2.500 . 2.750 2.350 2.049 2.638 . 0 0 "[ . 1 . 2]" 2
914 2 86 ASP HA 2 87 PRO HG2 4.500 . 4.950 4.527 4.262 4.760 . 0 0 "[ . 1 . 2]" 2
915 2 86 ASP HA 2 87 PRO HD2 5.000 . 5.500 2.483 2.059 2.995 . 0 0 "[ . 1 . 2]" 2
916 2 86 ASP HA 2 87 PRO HD3 5.000 . 5.500 2.349 1.966 2.660 . 0 0 "[ . 1 . 2]" 2
917 2 86 ASP HB2 2 87 PRO QD 5.500 . 6.050 3.740 2.005 4.100 . 0 0 "[ . 1 . 2]" 2
918 2 86 ASP HB3 2 87 PRO QD 5.000 . 5.500 3.350 2.132 4.197 . 0 0 "[ . 1 . 2]" 2
919 2 87 PRO HA 2 88 THR H 4.000 . 4.400 3.491 3.147 3.616 . 0 0 "[ . 1 . 2]" 2
920 2 87 PRO HB2 2 88 THR MG 4.500 . 4.950 3.666 2.686 5.070 0.120 8 0 "[ . 1 . 2]" 2
921 2 87 PRO HB3 2 88 THR MG 5.500 . 6.050 4.899 4.157 5.708 . 0 0 "[ . 1 . 2]" 2
922 2 87 PRO QD 2 88 THR MG 5.000 . 5.500 3.792 3.232 4.403 . 0 0 "[ . 1 . 2]" 2
923 2 88 THR HA 2 91 ASN QB 4.500 . 4.950 2.972 2.095 3.517 . 0 0 "[ . 1 . 2]" 2
924 2 88 THR HB 2 91 ASN H 4.500 . 4.950 4.807 4.243 5.169 0.219 17 0 "[ . 1 . 2]" 2
925 2 88 THR HB 2 91 ASN QB 4.500 . 4.950 3.588 2.896 4.554 . 0 0 "[ . 1 . 2]" 2
926 2 88 THR MG 2 91 ASN HB3 4.500 . 4.950 4.246 3.876 4.727 . 0 0 "[ . 1 . 2]" 2
927 2 89 MET HB2 2 93 ILE MD 5.500 . 6.050 4.992 3.850 5.509 . 0 0 "[ . 1 . 2]" 2
928 2 89 MET HB3 2 93 ILE MD 5.500 . 6.050 4.332 3.077 4.778 . 0 0 "[ . 1 . 2]" 2
929 2 90 PHE HA 2 93 ILE MD 4.500 . 4.950 2.274 1.707 3.200 0.093 15 0 "[ . 1 . 2]" 2
930 2 90 PHE QD 2 93 ILE MD 4.500 . 4.950 4.196 3.319 4.702 . 0 0 "[ . 1 . 2]" 2
931 2 91 ASN HA 2 94 ALA MB 4.500 . 4.950 2.432 2.205 2.656 . 0 0 "[ . 1 . 2]" 2
932 2 91 ASN HB2 2 94 ALA MB 4.500 . 4.950 4.563 4.261 4.855 . 0 0 "[ . 1 . 2]" 2
933 2 91 ASN HB3 2 94 ALA MB 4.500 . 4.950 4.944 4.733 5.082 0.132 14 0 "[ . 1 . 2]" 2
934 2 92 LYS H 2 93 ILE MG 4.500 . 4.950 4.555 4.316 4.870 . 0 0 "[ . 1 . 2]" 2
935 2 92 LYS H 2 93 ILE MD 5.500 . 6.050 4.124 3.386 5.624 . 0 0 "[ . 1 . 2]" 2
936 2 93 ILE HA 2 94 ALA MB 6.000 . 6.600 5.026 4.973 5.055 . 0 0 "[ . 1 . 2]" 2
937 2 93 ILE MD 2 94 ALA MB 5.000 . 5.500 3.903 3.172 4.564 . 0 0 "[ . 1 . 2]" 2
938 2 94 ALA MB 2 95 VAL H 4.500 . 4.950 2.618 2.377 2.877 . 0 0 "[ . 1 . 2]" 2
939 2 94 ALA MB 2 95 VAL HA 4.500 . 4.950 3.950 3.877 4.060 . 0 0 "[ . 1 . 2]" 2
940 2 94 ALA MB 2 95 VAL MG2 4.500 . 4.950 4.420 3.075 5.031 0.081 11 0 "[ . 1 . 2]" 2
941 2 95 VAL HB 2 96 PHE H 4.500 . 4.950 3.905 2.553 4.263 . 0 0 "[ . 1 . 2]" 2
942 2 95 VAL MG2 2 96 PHE H 4.500 . 4.950 3.612 2.242 4.219 . 0 0 "[ . 1 . 2]" 2
943 2 95 VAL MG2 2 96 PHE HA 5.000 . 5.500 4.115 3.311 5.537 0.037 14 0 "[ . 1 . 2]" 2
944 2 95 VAL MG2 2 96 PHE QB 5.000 . 5.500 4.526 2.951 5.464 . 0 0 "[ . 1 . 2]" 2
945 1 8 HIS HA 1 9 ASP H 3.500 . 3.850 3.125 2.170 3.544 . 0 0 "[ . 1 . 2]" 2
946 1 8 HIS HA 1 86 ASP H 5.500 . 6.050 5.642 4.400 6.155 0.105 2 0 "[ . 1 . 2]" 2
947 1 9 ASP HA 1 10 ASN H 4.500 . 4.950 3.525 3.399 3.594 . 0 0 "[ . 1 . 2]" 2
948 1 9 ASP HB3 1 10 ASN H 3.500 . 3.850 2.798 2.194 3.848 . 0 0 "[ . 1 . 2]" 2
949 1 10 ASN H 1 11 VAL H 4.500 . 4.950 4.554 4.428 4.627 . 0 0 "[ . 1 . 2]" 2
950 1 10 ASN H 1 11 VAL QG 4.500 . 4.950 4.731 4.571 4.884 . 0 0 "[ . 1 . 2]" 2
951 1 11 VAL H 1 58 VAL H 3.500 . 3.850 2.636 2.273 3.458 . 0 0 "[ . 1 . 2]" 2
952 1 11 VAL H 1 60 ASP H 4.500 . 4.950 4.148 3.534 4.542 . 0 0 "[ . 1 . 2]" 2
953 1 11 VAL QG 1 61 ASP H 4.500 . 4.950 4.410 4.038 4.702 . 0 0 "[ . 1 . 2]" 2
954 1 12 ILE H 1 83 ASN H 3.500 . 3.850 3.756 3.215 3.956 0.106 13 0 "[ . 1 . 2]" 2
955 1 12 ILE HA 1 13 LEU H 2.500 . 2.750 2.276 2.200 2.313 . 0 0 "[ . 1 . 2]" 2
956 1 12 ILE MG 1 13 LEU H 4.500 . 4.950 3.582 3.356 3.717 . 0 0 "[ . 1 . 2]" 2
957 1 13 LEU HB3 1 14 GLU H 4.500 . 4.950 4.001 3.757 4.430 . 0 0 "[ . 1 . 2]" 2
958 1 13 LEU HB2 1 14 GLU H 4.500 . 4.950 4.494 4.415 4.669 . 0 0 "[ . 1 . 2]" 2
959 1 13 LEU HA 1 14 GLU H 2.500 . 2.750 2.201 2.088 2.293 . 0 0 "[ . 1 . 2]" 2
960 1 13 LEU MD2 1 56 LEU H 5.000 . 5.500 5.239 4.187 5.530 0.030 10 0 "[ . 1 . 2]" 2
961 1 14 GLU HA 1 15 LEU H 2.500 . 2.750 2.166 2.060 2.267 . 0 0 "[ . 1 . 2]" 2
962 1 14 GLU H 1 81 GLN H 3.500 . 3.850 3.710 3.418 3.927 0.077 9 0 "[ . 1 . 2]" 2
963 1 14 GLU H 1 82 ARG HA 3.500 . 3.850 3.588 2.696 3.976 0.126 19 0 "[ . 1 . 2]" 2
964 1 15 LEU H 1 54 ILE H 3.500 . 3.850 3.179 2.423 3.825 . 0 0 "[ . 1 . 2]" 2
965 1 15 LEU HA 1 16 THR H 2.800 . 3.080 2.115 2.052 2.204 . 0 0 "[ . 1 . 2]" 2
966 1 15 LEU HG 1 16 THR H 5.000 . 5.500 5.348 5.038 5.646 0.146 16 0 "[ . 1 . 2]" 2
967 1 15 LEU MD1 1 16 THR H 4.500 . 4.950 4.255 3.510 5.286 0.336 15 0 "[ . 1 . 2]" 2
968 1 15 LEU H 1 81 GLN H 5.500 . 6.050 4.784 4.462 5.135 . 0 0 "[ . 1 . 2]" 2
969 1 15 LEU HG 1 81 GLN H 5.500 . 6.050 5.495 4.701 6.316 0.266 17 0 "[ . 1 . 2]" 2
970 1 16 THR H 1 79 LYS H 3.500 . 3.850 3.274 2.770 3.677 . 0 0 "[ . 1 . 2]" 2
971 1 16 THR HA 1 17 VAL H 2.500 . 2.750 2.186 2.154 2.235 . 0 0 "[ . 1 . 2]" 2
972 1 16 THR MG 1 17 VAL H 3.500 . 3.850 3.270 3.047 3.468 . 0 0 "[ . 1 . 2]" 2
973 1 16 THR MG 1 52 SER H 4.500 . 4.950 3.357 2.532 4.129 . 0 0 "[ . 1 . 2]" 2
974 1 16 THR HB 1 79 LYS H 4.500 . 4.950 2.566 2.139 3.026 . 0 0 "[ . 1 . 2]" 2
975 1 17 VAL HA 1 18 ARG H 3.000 . 3.300 2.245 2.154 2.337 . 0 0 "[ . 1 . 2]" 2
976 1 17 VAL HB 1 18 ARG H 4.500 . 4.950 2.956 2.803 3.221 . 0 0 "[ . 1 . 2]" 2
977 1 17 VAL H 1 52 SER H 3.500 . 3.850 3.262 2.438 3.671 . 0 0 "[ . 1 . 2]" 2
978 1 17 VAL H 1 53 HIS HA 4.500 . 4.950 3.348 3.040 3.832 . 0 0 "[ . 1 . 2]" 2
979 1 17 VAL HA 1 78 VAL H 5.500 . 6.050 2.298 2.038 2.724 . 0 0 "[ . 1 . 2]" 2
980 1 17 VAL HA 1 79 LYS H 5.500 . 6.050 4.192 3.939 4.500 . 0 0 "[ . 1 . 2]" 2
981 1 18 ARG H 1 52 SER H 5.000 . 5.500 4.920 4.705 5.069 . 0 0 "[ . 1 . 2]" 2
982 1 18 ARG H 1 78 VAL H 5.000 . 5.500 3.582 3.280 3.861 . 0 0 "[ . 1 . 2]" 2
983 1 18 ARG HA 1 19 ASN H 3.500 . 3.850 2.291 2.094 2.418 . 0 0 "[ . 1 . 2]" 2
984 1 18 ARG HB2 1 19 ASN H 4.500 . 4.950 2.932 2.616 3.605 . 0 0 "[ . 1 . 2]" 2
985 1 18 ARG HB3 1 19 ASN H 4.500 . 4.950 3.979 3.764 4.228 . 0 0 "[ . 1 . 2]" 2
986 1 18 ARG HB3 1 51 LYS H 5.000 . 5.500 5.411 4.470 5.785 0.285 7 0 "[ . 1 . 2]" 2
987 1 18 ARG HA 1 52 SER H 3.500 . 3.850 3.457 3.037 3.915 0.065 17 0 "[ . 1 . 2]" 2
988 1 18 ARG HB3 1 52 SER H 5.000 . 5.500 5.086 4.418 5.544 0.044 19 0 "[ . 1 . 2]" 2
989 1 19 ASN H 1 20 HIS H 3.500 . 3.850 3.939 3.836 4.051 0.201 9 0 "[ . 1 . 2]" 2
990 1 19 ASN HA 1 20 HIS H 3.500 . 3.850 2.253 2.164 2.377 . 0 0 "[ . 1 . 2]" 2
991 1 19 ASN QB 1 20 HIS H 4.500 . 4.950 3.930 3.765 4.060 . 0 0 "[ . 1 . 2]" 2
992 1 19 ASN H 1 51 LYS HA 4.500 . 4.950 3.392 2.363 4.598 . 0 0 "[ . 1 . 2]" 2
993 1 21 PRO HA 1 22 GLY H 3.500 . 3.850 2.224 2.197 2.250 . 0 0 "[ . 1 . 2]" 2
994 1 21 PRO HB3 1 22 GLY H 4.500 . 4.950 4.148 4.100 4.342 . 0 0 "[ . 1 . 2]" 2
995 1 22 GLY H 1 23 VAL H 3.500 . 3.850 2.628 2.070 3.032 . 0 0 "[ . 1 . 2]" 2
996 1 22 GLY HA2 1 23 VAL H 3.500 . 3.850 2.920 2.632 3.568 . 0 0 "[ . 1 . 2]" 2
997 1 23 VAL H 1 24 MET H 4.500 . 4.950 2.614 2.348 2.885 . 0 0 "[ . 1 . 2]" 2
998 1 24 MET H 1 25 THR H 3.000 . 3.300 2.685 2.516 2.821 . 0 0 "[ . 1 . 2]" 2
999 1 24 MET H 1 26 HIS H 4.500 . 4.950 4.070 3.794 4.260 . 0 0 "[ . 1 . 2]" 2
1000 1 24 MET HA 1 27 VAL H 3.800 . 4.180 3.540 3.132 3.872 . 0 0 "[ . 1 . 2]" 2
1001 1 24 MET HB2 1 28 CYS H 5.500 . 6.050 5.515 4.987 6.025 . 0 0 "[ . 1 . 2]" 2
1002 1 25 THR H 1 27 VAL H 4.500 . 4.950 4.399 4.166 4.695 . 0 0 "[ . 1 . 2]" 2
1003 1 25 THR H 1 26 HIS H 3.000 . 3.300 2.576 2.472 2.690 . 0 0 "[ . 1 . 2]" 2
1004 1 25 THR HA 1 26 HIS H 3.800 . 4.180 3.525 3.495 3.579 . 0 0 "[ . 1 . 2]" 2
1005 1 25 THR HB 1 26 HIS H 4.500 . 4.950 3.052 2.506 3.985 . 0 0 "[ . 1 . 2]" 2
1006 1 25 THR HA 1 28 CYS H 3.800 . 4.180 3.856 3.706 4.096 . 0 0 "[ . 1 . 2]" 2
1007 1 25 THR MG 1 29 GLY H 5.500 . 6.050 4.637 4.142 5.695 . 0 0 "[ . 1 . 2]" 2
1008 1 26 HIS HA 1 29 GLY H 3.800 . 4.180 3.691 3.417 4.053 . 0 0 "[ . 1 . 2]" 2
1009 1 26 HIS H 1 28 CYS H 4.500 . 4.950 4.215 3.995 4.474 . 0 0 "[ . 1 . 2]" 2
1010 1 26 HIS H 1 27 VAL H 3.000 . 3.300 2.723 2.574 2.886 . 0 0 "[ . 1 . 2]" 2
1011 1 27 VAL HA 1 28 CYS H 3.800 . 4.180 3.556 3.524 3.578 . 0 0 "[ . 1 . 2]" 2
1012 1 27 VAL H 1 28 CYS H 3.000 . 3.300 2.704 2.623 2.787 . 0 0 "[ . 1 . 2]" 2
1013 1 27 VAL HB 1 28 CYS H 4.500 . 4.950 3.800 3.667 3.969 . 0 0 "[ . 1 . 2]" 2
1014 1 27 VAL QG 1 29 GLY H 5.500 . 6.050 4.104 4.018 4.187 . 0 0 "[ . 1 . 2]" 2
1015 1 28 CYS HB2 1 29 GLY H 4.500 . 4.950 3.173 2.726 4.075 . 0 0 "[ . 1 . 2]" 2
1016 1 28 CYS HB3 1 29 GLY H 4.500 . 4.950 3.664 2.507 3.974 . 0 0 "[ . 1 . 2]" 2
1017 1 28 CYS HA 1 32 ALA H 4.500 . 4.950 4.099 3.750 4.329 . 0 0 "[ . 1 . 2]" 2
1018 1 28 CYS H 1 30 LEU H 4.500 . 4.950 4.324 3.929 4.529 . 0 0 "[ . 1 . 2]" 2
1019 1 28 CYS H 1 29 GLY H 3.000 . 3.300 2.629 2.512 2.708 . 0 0 "[ . 1 . 2]" 2
1020 1 28 CYS HA 1 31 PHE H 3.800 . 4.180 3.702 3.391 4.262 0.082 14 0 "[ . 1 . 2]" 2
1021 1 29 GLY H 1 31 PHE H 4.500 . 4.950 4.353 4.123 4.567 . 0 0 "[ . 1 . 2]" 2
1022 1 29 GLY H 1 30 LEU H 3.000 . 3.300 2.731 2.578 2.957 . 0 0 "[ . 1 . 2]" 2
1023 1 30 LEU H 1 32 ALA H 4.500 . 4.950 4.116 3.827 4.301 . 0 0 "[ . 1 . 2]" 2
1024 1 30 LEU H 1 31 PHE H 3.000 . 3.300 2.727 2.559 2.863 . 0 0 "[ . 1 . 2]" 2
1025 1 30 LEU MD1 1 31 PHE H 4.500 . 4.950 4.667 3.763 4.918 . 0 0 "[ . 1 . 2]" 2
1026 1 30 LEU HA 1 33 ARG H 3.800 . 4.180 3.854 3.588 4.037 . 0 0 "[ . 1 . 2]" 2
1027 1 31 PHE H 1 32 ALA H 3.000 . 3.300 2.530 2.445 2.733 . 0 0 "[ . 1 . 2]" 2
1028 1 31 PHE HA 1 32 ALA H 4.000 . 4.400 3.507 3.480 3.549 . 0 0 "[ . 1 . 2]" 2
1029 1 31 PHE HB2 1 32 ALA H 4.500 . 4.950 3.006 2.825 3.190 . 0 0 "[ . 1 . 2]" 2
1030 1 31 PHE HB3 1 32 ALA H 4.500 . 4.950 3.929 3.719 4.087 . 0 0 "[ . 1 . 2]" 2
1031 1 31 PHE HB3 1 33 ARG H 5.500 . 6.050 5.797 5.468 6.090 0.040 10 0 "[ . 1 . 2]" 2
1032 1 31 PHE HA 1 34 ARG H 6.500 . 7.150 3.701 3.332 4.063 . 0 0 "[ . 1 . 2]" 2
1033 1 31 PHE HB3 1 34 ARG H 5.500 . 6.050 5.454 5.141 5.720 . 0 0 "[ . 1 . 2]" 2
1034 1 32 ALA H 1 33 ARG H 3.200 . 3.520 2.638 2.536 2.823 . 0 0 "[ . 1 . 2]" 2
1035 1 32 ALA HA 1 33 ARG H 3.800 . 4.180 3.557 3.510 3.607 . 0 0 "[ . 1 . 2]" 2
1036 1 32 ALA H 1 34 ARG H 4.500 . 4.950 4.078 3.848 4.273 . 0 0 "[ . 1 . 2]" 2
1037 1 32 ALA MB 1 33 ARG H 4.500 . 4.950 2.615 2.240 3.022 . 0 0 "[ . 1 . 2]" 2
1038 1 33 ARG HA 1 35 ALA H 4.500 . 4.950 4.823 4.398 5.076 0.126 19 0 "[ . 1 . 2]" 2
1039 1 33 ARG H 1 34 ARG H 3.200 . 3.520 2.588 2.173 2.723 . 0 0 "[ . 1 . 2]" 2
1040 1 34 ARG H 1 36 PHE H 4.500 . 4.950 4.962 4.695 5.050 0.100 7 0 "[ . 1 . 2]" 2
1041 1 34 ARG H 1 35 ALA H 3.500 . 3.850 2.833 2.706 2.953 . 0 0 "[ . 1 . 2]" 2
1042 1 34 ARG QG 1 36 PHE H 5.500 . 6.050 3.514 2.408 4.710 . 0 0 "[ . 1 . 2]" 2
1043 1 35 ALA HA 1 36 PHE H 3.500 . 3.850 3.550 3.528 3.578 . 0 0 "[ . 1 . 2]" 2
1044 1 36 PHE HB2 1 37 ASN H 4.500 . 4.950 4.047 3.850 4.319 . 0 0 "[ . 1 . 2]" 2
1045 1 36 PHE HB3 1 37 ASN H 4.500 . 4.950 3.872 3.123 4.294 . 0 0 "[ . 1 . 2]" 2
1046 1 36 PHE H 1 37 ASN H 5.500 . 6.050 4.497 4.385 4.549 . 0 0 "[ . 1 . 2]" 2
1047 1 36 PHE HA 1 37 ASN H 3.500 . 3.850 2.260 2.140 2.385 . 0 0 "[ . 1 . 2]" 2
1048 1 37 ASN H 1 38 VAL H 4.500 . 4.950 4.549 4.443 4.636 . 0 0 "[ . 1 . 2]" 2
1049 1 38 VAL MG2 1 40 GLY H 4.500 . 4.950 4.960 4.811 5.065 0.115 19 0 "[ . 1 . 2]" 2
1050 1 38 VAL MG2 1 57 LEU H 4.500 . 4.950 4.898 4.593 5.133 0.183 9 0 "[ . 1 . 2]" 2
1051 1 38 VAL HA 1 39 GLU H 3.500 . 3.850 2.199 2.129 2.289 . 0 0 "[ . 1 . 2]" 2
1052 1 38 VAL MG1 1 40 GLY H 4.500 . 4.950 2.279 2.066 2.590 . 0 0 "[ . 1 . 2]" 2
1053 1 39 GLU H 1 40 GLY H 4.500 . 4.950 2.512 2.224 2.838 . 0 0 "[ . 1 . 2]" 2
1054 1 39 GLU HB2 1 40 GLY H 4.500 . 4.950 3.754 3.327 4.002 . 0 0 "[ . 1 . 2]" 2
1055 1 39 GLU H 1 57 LEU H 4.500 . 4.950 4.718 4.418 5.040 0.090 16 0 "[ . 1 . 2]" 2
1056 1 40 GLY QA 1 41 ILE H 2.500 . 2.750 2.202 2.163 2.245 . 0 0 "[ . 1 . 2]" 2
1057 1 40 GLY H 1 57 LEU H 3.500 . 3.850 3.282 3.027 3.660 . 0 0 "[ . 1 . 2]" 2
1058 1 41 ILE MG 1 57 LEU H 5.500 . 6.050 4.990 4.584 5.152 . 0 0 "[ . 1 . 2]" 2
1059 1 41 ILE HG12 1 57 LEU H 5.000 . 5.500 4.282 3.994 4.826 . 0 0 "[ . 1 . 2]" 2
1060 1 42 LEU H 1 55 TRP H 3.500 . 3.850 3.037 2.588 3.685 . 0 0 "[ . 1 . 2]" 2
1061 1 44 LEU H 1 54 ILE MG 5.500 . 6.050 4.962 4.505 5.911 . 0 0 "[ . 1 . 2]" 2
1062 1 45 PRO HB2 1 46 ILE H 4.500 . 4.950 3.632 2.978 3.929 . 0 0 "[ . 1 . 2]" 2
1063 1 45 PRO HB3 1 46 ILE H 4.500 . 4.950 4.081 3.719 4.253 . 0 0 "[ . 1 . 2]" 2
1064 1 45 PRO HA 1 46 ILE H 3.200 . 3.520 2.165 2.126 2.235 . 0 0 "[ . 1 . 2]" 2
1065 1 46 ILE H 1 47 GLN H 4.500 . 4.950 4.419 4.214 4.573 . 0 0 "[ . 1 . 2]" 2
1066 1 46 ILE HB 1 47 GLN H 4.500 . 4.950 4.314 4.011 4.443 . 0 0 "[ . 1 . 2]" 2
1067 1 46 ILE H 1 53 HIS H 4.500 . 4.950 4.164 3.515 4.961 0.011 13 0 "[ . 1 . 2]" 2
1068 1 46 ILE HG13 1 49 SER H 4.500 . 4.950 2.210 1.674 3.145 0.126 9 0 "[ . 1 . 2]" 2
1069 1 46 ILE HG13 1 53 HIS H 4.500 . 4.950 4.457 3.672 5.093 0.143 13 0 "[ . 1 . 2]" 2
1070 1 47 GLN HA 1 48 ASP H 3.500 . 3.850 3.464 3.382 3.580 . 0 0 "[ . 1 . 2]" 2
1071 1 47 GLN HA 1 49 SER H 5.000 . 5.500 4.321 3.954 4.602 . 0 0 "[ . 1 . 2]" 2
1072 1 47 GLN QB 1 49 SER H 5.500 . 6.050 5.175 4.658 5.422 . 0 0 "[ . 1 . 2]" 2
1073 1 48 ASP H 1 49 SER H 3.200 . 3.520 2.625 2.374 2.959 . 0 0 "[ . 1 . 2]" 2
1074 1 48 ASP HA 1 49 SER H 4.500 . 4.950 3.501 3.131 3.574 . 0 0 "[ . 1 . 2]" 2
1075 1 48 ASP HB2 1 49 SER H 5.000 . 5.500 4.026 2.671 4.468 . 0 0 "[ . 1 . 2]" 2
1076 1 48 ASP HB3 1 49 SER H 5.000 . 5.500 3.168 2.626 4.509 . 0 0 "[ . 1 . 2]" 2
1077 1 49 SER HA 1 50 ASP H 3.200 . 3.520 2.497 2.228 2.668 . 0 0 "[ . 1 . 2]" 2
1078 1 49 SER HB2 1 50 ASP H 4.500 . 4.950 3.331 2.014 4.185 . 0 0 "[ . 1 . 2]" 2
1079 1 49 SER HB3 1 50 ASP H 4.500 . 4.950 2.689 2.009 3.872 . 0 0 "[ . 1 . 2]" 2
1080 1 49 SER HB2 1 51 LYS H 4.500 . 4.950 4.498 3.927 4.941 . 0 0 "[ . 1 . 2]" 2
1081 1 50 ASP HA 1 51 LYS H 3.500 . 3.850 2.300 2.254 2.366 . 0 0 "[ . 1 . 2]" 2
1082 1 50 ASP H 1 51 LYS H 4.000 . 4.400 3.944 3.788 4.081 . 0 0 "[ . 1 . 2]" 2
1083 1 51 LYS QB 1 52 SER H 4.500 . 4.950 2.434 2.061 3.378 . 0 0 "[ . 1 . 2]" 2
1084 1 51 LYS HA 1 52 SER H 2.500 . 2.750 2.371 2.220 2.656 . 0 0 "[ . 1 . 2]" 2
1085 1 52 SER HB2 1 53 HIS H 4.500 . 4.950 4.242 3.997 4.496 . 0 0 "[ . 1 . 2]" 2
1086 1 52 SER HA 1 53 HIS H 2.500 . 2.750 2.241 2.196 2.347 . 0 0 "[ . 1 . 2]" 2
1087 1 53 HIS QB 1 54 ILE H 4.500 . 4.950 3.512 3.150 3.995 . 0 0 "[ . 1 . 2]" 2
1088 1 57 LEU HB2 1 58 VAL H 4.500 . 4.950 4.486 4.430 4.541 . 0 0 "[ . 1 . 2]" 2
1089 1 57 LEU HB3 1 58 VAL H 4.500 . 4.950 3.816 3.675 3.951 . 0 0 "[ . 1 . 2]" 2
1090 1 58 VAL HA 1 59 ASN H 3.200 . 3.520 2.357 2.285 2.408 . 0 0 "[ . 1 . 2]" 2
1091 1 59 ASN HB2 1 60 ASP H 4.500 . 4.950 3.142 2.786 3.638 . 0 0 "[ . 1 . 2]" 2
1092 1 59 ASN H 1 60 ASP H 4.500 . 4.950 4.578 4.376 4.675 . 0 0 "[ . 1 . 2]" 2
1093 1 60 ASP H 1 61 ASP H 4.500 . 4.950 4.586 4.498 4.657 . 0 0 "[ . 1 . 2]" 2
1094 1 60 ASP HA 1 61 ASP H 4.500 . 4.950 2.267 2.154 2.558 . 0 0 "[ . 1 . 2]" 2
1095 1 61 ASP HA 1 63 ARG H 4.500 . 4.950 4.255 3.967 4.426 . 0 0 "[ . 1 . 2]" 2
1096 1 61 ASP HA 1 64 LEU H 4.500 . 4.950 4.335 4.072 4.568 . 0 0 "[ . 1 . 2]" 2
1097 1 61 ASP H 1 64 LEU H 4.000 . 4.400 3.629 3.324 3.892 . 0 0 "[ . 1 . 2]" 2
1098 1 61 ASP H 1 64 LEU HB3 4.500 . 4.950 2.247 1.860 2.992 . 0 0 "[ . 1 . 2]" 2
1099 1 61 ASP HB3 1 64 LEU H 4.500 . 4.950 2.238 1.703 2.867 0.097 4 0 "[ . 1 . 2]" 2
1100 1 63 ARG H 1 64 LEU H 3.800 . 4.180 2.387 2.286 2.494 . 0 0 "[ . 1 . 2]" 2
1101 1 63 ARG HA 1 64 LEU H 3.800 . 4.180 3.497 3.413 3.555 . 0 0 "[ . 1 . 2]" 2
1102 1 63 ARG HA 1 66 GLN H 4.500 . 4.950 3.480 3.159 3.902 . 0 0 "[ . 1 . 2]" 2
1103 1 64 LEU HA 1 65 GLU H 3.800 . 4.180 3.551 3.512 3.598 . 0 0 "[ . 1 . 2]" 2
1104 1 64 LEU QB 1 65 GLU H 4.500 . 4.950 2.531 2.230 2.962 . 0 0 "[ . 1 . 2]" 2
1105 1 64 LEU H 1 66 GLN H 4.500 . 4.950 4.281 4.111 4.426 . 0 0 "[ . 1 . 2]" 2
1106 1 64 LEU HB3 1 66 GLN H 5.000 . 5.500 5.005 4.739 5.348 . 0 0 "[ . 1 . 2]" 2
1107 1 65 GLU H 1 66 GLN H 3.000 . 3.300 2.692 2.561 2.825 . 0 0 "[ . 1 . 2]" 2
1108 1 65 GLU HA 1 66 GLN H 3.800 . 4.180 3.522 3.492 3.552 . 0 0 "[ . 1 . 2]" 2
1109 1 65 GLU QB 1 66 GLN H 4.500 . 4.950 2.703 2.332 3.505 . 0 0 "[ . 1 . 2]" 2
1110 1 65 GLU H 1 67 MET H 4.500 . 4.950 4.120 3.995 4.442 . 0 0 "[ . 1 . 2]" 2
1111 1 66 GLN HA 1 69 SER H 3.800 . 4.180 3.411 3.244 3.618 . 0 0 "[ . 1 . 2]" 2
1112 1 66 GLN QB 1 67 MET H 3.800 . 4.180 2.636 2.421 2.776 . 0 0 "[ . 1 . 2]" 2
1113 1 66 GLN H 1 68 ILE H 4.500 . 4.950 3.979 3.809 4.204 . 0 0 "[ . 1 . 2]" 2
1114 1 67 MET H 1 68 ILE H 3.000 . 3.300 2.570 2.421 2.753 . 0 0 "[ . 1 . 2]" 2
1115 1 67 MET HA 1 68 ILE H 3.800 . 4.180 3.529 3.491 3.561 . 0 0 "[ . 1 . 2]" 2
1116 1 67 MET H 1 69 SER H 4.500 . 4.950 4.047 3.909 4.297 . 0 0 "[ . 1 . 2]" 2
1117 1 67 MET H 1 70 GLN H 4.500 . 4.950 4.659 4.552 4.793 . 0 0 "[ . 1 . 2]" 2
1118 1 68 ILE H 1 69 SER H 3.000 . 3.300 2.625 2.530 2.779 . 0 0 "[ . 1 . 2]" 2
1119 1 68 ILE H 1 70 GLN H 4.500 . 4.950 3.970 3.837 4.080 . 0 0 "[ . 1 . 2]" 2
1120 1 69 SER H 1 70 GLN HB2 5.000 . 5.500 4.762 4.642 4.904 . 0 0 "[ . 1 . 2]" 2
1121 1 69 SER H 1 71 ILE H 4.500 . 4.950 4.312 4.156 4.479 . 0 0 "[ . 1 . 2]" 2
1122 1 70 GLN H 1 71 ILE H 3.000 . 3.300 2.600 2.398 2.768 . 0 0 "[ . 1 . 2]" 2
1123 1 70 GLN QB 1 71 ILE H 4.500 . 4.950 2.462 2.321 2.663 . 0 0 "[ . 1 . 2]" 2
1124 1 70 GLN HA 1 71 ILE H 3.800 . 4.180 3.577 3.565 3.593 . 0 0 "[ . 1 . 2]" 2
1125 1 70 GLN H 1 72 ASP H 4.500 . 4.950 3.925 3.786 4.198 . 0 0 "[ . 1 . 2]" 2
1126 1 71 ILE H 1 72 ASP H 3.000 . 3.300 2.566 2.405 2.720 . 0 0 "[ . 1 . 2]" 2
1127 1 71 ILE HA 1 72 ASP H 3.800 . 4.180 3.498 3.453 3.583 . 0 0 "[ . 1 . 2]" 2
1128 1 71 ILE HB 1 72 ASP H 4.500 . 4.950 4.038 3.910 4.220 . 0 0 "[ . 1 . 2]" 2
1129 1 71 ILE HG12 1 72 ASP H 4.500 . 4.950 4.286 4.065 5.024 0.074 1 0 "[ . 1 . 2]" 2
1130 1 71 ILE MG 1 72 ASP H 5.000 . 5.500 2.393 2.235 2.613 . 0 0 "[ . 1 . 2]" 2
1131 1 71 ILE HA 1 74 LEU H 3.800 . 4.180 3.624 3.343 3.880 . 0 0 "[ . 1 . 2]" 2
1132 1 71 ILE H 1 73 LYS H 4.500 . 4.950 4.231 4.064 4.391 . 0 0 "[ . 1 . 2]" 2
1133 1 72 ASP H 1 73 LYS H 3.500 . 3.850 2.731 2.635 2.843 . 0 0 "[ . 1 . 2]" 2
1134 1 72 ASP HA 1 73 LYS H 3.500 . 3.850 3.512 3.458 3.551 . 0 0 "[ . 1 . 2]" 2
1135 1 72 ASP H 1 74 LEU H 4.500 . 4.950 4.240 4.129 4.381 . 0 0 "[ . 1 . 2]" 2
1136 1 73 LYS H 1 74 LEU H 3.500 . 3.850 2.606 2.451 2.804 . 0 0 "[ . 1 . 2]" 2
1137 1 73 LYS QB 1 74 LEU H 4.500 . 4.950 3.345 2.950 4.055 . 0 0 "[ . 1 . 2]" 2
1138 1 74 LEU H 1 75 GLU QG 5.500 . 6.050 5.756 5.388 6.131 0.081 10 0 "[ . 1 . 2]" 2
1139 1 74 LEU HA 1 75 GLU H 3.500 . 3.850 2.248 2.177 2.326 . 0 0 "[ . 1 . 2]" 2
1140 1 74 LEU HB3 1 75 GLU H 4.500 . 4.950 2.944 2.637 4.226 . 0 0 "[ . 1 . 2]" 2
1141 1 74 LEU HG 1 75 GLU H 4.500 . 4.950 4.782 2.810 5.076 0.126 1 0 "[ . 1 . 2]" 2
1142 1 74 LEU QD 1 75 GLU H 4.500 . 4.950 3.038 2.568 3.536 . 0 0 "[ . 1 . 2]" 2
1143 1 74 LEU HA 1 76 ASP H 4.500 . 4.950 4.002 3.755 4.304 . 0 0 "[ . 1 . 2]" 2
1144 1 74 LEU QB 1 76 ASP H 4.500 . 4.950 2.578 2.084 3.827 . 0 0 "[ . 1 . 2]" 2
1145 1 74 LEU QD 1 76 ASP H 5.000 . 5.500 3.735 2.603 4.168 . 0 0 "[ . 1 . 2]" 2
1146 1 75 GLU H 1 76 ASP H 3.500 . 3.850 2.552 2.445 2.664 . 0 0 "[ . 1 . 2]" 2
1147 1 75 GLU HA 1 76 ASP H 3.500 . 3.850 3.431 3.374 3.542 . 0 0 "[ . 1 . 2]" 2
1148 1 75 GLU QB 1 76 ASP H 4.500 . 4.950 3.107 2.635 3.799 . 0 0 "[ . 1 . 2]" 2
1149 1 75 GLU QG 1 76 ASP H 4.500 . 4.950 4.074 2.857 4.355 . 0 0 "[ . 1 . 2]" 2
1150 1 75 GLU H 1 77 VAL H 4.500 . 4.950 4.472 4.145 4.779 . 0 0 "[ . 1 . 2]" 2
1151 1 75 GLU QB 1 77 VAL H 5.000 . 6.000 5.132 4.878 5.390 . 0 0 "[ . 1 . 2]" 2
1152 1 76 ASP H 1 77 VAL H 3.500 . 3.850 2.681 2.535 2.809 . 0 0 "[ . 1 . 2]" 2
1153 1 80 VAL HB 1 81 GLN H 4.500 . 4.950 4.138 2.794 4.453 . 0 0 "[ . 1 . 2]" 2
1154 1 84 GLN HB2 1 85 SER H 4.500 . 4.950 3.882 2.863 4.511 . 0 0 "[ . 1 . 2]" 2
1155 1 84 GLN HA 1 85 SER H 3.500 . 3.850 2.232 2.073 2.375 . 0 0 "[ . 1 . 2]" 2
1156 1 85 SER HB2 1 86 ASP H 4.500 . 4.950 3.892 3.647 4.521 . 0 0 "[ . 1 . 2]" 2
1157 1 85 SER HB3 1 86 ASP H 4.500 . 4.950 3.652 3.090 4.462 . 0 0 "[ . 1 . 2]" 2
1158 1 85 SER H 1 86 ASP H 5.500 . 6.050 4.416 3.996 4.624 . 0 0 "[ . 1 . 2]" 2
1159 1 87 PRO HB3 1 88 THR H 4.500 . 4.950 4.266 3.862 4.662 . 0 0 "[ . 1 . 2]" 2
1160 1 88 THR H 1 89 MET H 3.000 . 3.300 2.603 2.359 2.853 . 0 0 "[ . 1 . 2]" 2
1161 1 88 THR HA 1 89 MET H 3.800 . 4.180 3.405 3.269 3.543 . 0 0 "[ . 1 . 2]" 2
1162 1 88 THR MG 1 89 MET H 4.500 . 4.950 4.192 3.971 4.361 . 0 0 "[ . 1 . 2]" 2
1163 1 88 THR HA 1 92 LYS H 3.800 . 4.180 4.308 4.067 4.461 0.281 16 0 "[ . 1 . 2]" 2
1164 1 89 MET H 1 90 PHE H 3.000 . 3.300 2.855 2.660 3.196 . 0 0 "[ . 1 . 2]" 2
1165 1 90 PHE H 1 91 ASN H 3.000 . 3.300 2.797 2.619 2.994 . 0 0 "[ . 1 . 2]" 2
1166 1 90 PHE HA 1 93 ILE H 3.800 . 4.180 4.112 3.648 4.330 0.150 16 0 "[ . 1 . 2]" 2
1167 1 90 PHE HA 1 91 ASN H 3.800 . 4.180 3.551 3.480 3.588 . 0 0 "[ . 1 . 2]" 2
1168 1 90 PHE H 1 92 LYS H 4.500 . 4.950 4.096 3.807 4.349 . 0 0 "[ . 1 . 2]" 2
1169 1 91 ASN QB 1 92 LYS H 4.500 . 4.950 2.676 2.466 2.951 . 0 0 "[ . 1 . 2]" 2
1170 1 92 LYS H 1 93 ILE H 3.000 . 3.300 2.926 2.717 3.080 . 0 0 "[ . 1 . 2]" 2
1171 1 92 LYS HA 1 93 ILE H 3.800 . 4.180 3.602 3.541 3.655 . 0 0 "[ . 1 . 2]" 2
1172 1 93 ILE H 1 94 ALA H 3.000 . 3.300 2.488 2.394 2.610 . 0 0 "[ . 1 . 2]" 2
1173 1 93 ILE HB 1 97 PHE H 4.500 . 4.950 4.724 4.398 4.944 . 0 0 "[ . 1 . 2]" 2
1174 1 93 ILE MG 1 97 PHE H 5.500 . 6.050 5.515 5.137 5.883 . 0 0 "[ . 1 . 2]" 2
1175 1 93 ILE H 1 95 VAL H 4.500 . 4.950 4.323 4.059 4.513 . 0 0 "[ . 1 . 2]" 2
1176 1 94 ALA H 1 95 VAL H 3.000 . 3.300 2.750 2.637 2.883 . 0 0 "[ . 1 . 2]" 2
1177 1 95 VAL H 1 96 PHE H 3.000 . 3.300 2.510 2.356 2.715 . 0 0 "[ . 1 . 2]" 2
1178 1 95 VAL MG1 1 96 PHE H 4.500 . 4.950 3.063 2.236 4.101 . 0 0 "[ . 1 . 2]" 2
1179 1 95 VAL H 1 97 PHE H 4.500 . 4.950 4.015 3.643 4.419 . 0 0 "[ . 1 . 2]" 2
1180 1 96 PHE QB 1 97 PHE H 3.800 . 4.180 2.832 2.494 3.146 . 0 0 "[ . 1 . 2]" 2
1181 1 96 PHE HA 1 97 PHE H 3.800 . 4.180 3.491 3.412 3.577 . 0 0 "[ . 1 . 2]" 2
1182 1 96 PHE H 1 98 GLN H 4.500 . 4.950 4.657 4.066 5.192 0.242 3 0 "[ . 1 . 2]" 2
1183 1 97 PHE H 1 98 GLN H 4.500 . 4.950 3.022 2.548 3.614 . 0 0 "[ . 1 . 2]" 2
1184 1 97 PHE HA 1 98 GLN H 4.500 . 4.950 3.005 2.336 3.606 . 0 0 "[ . 1 . 2]" 2
1185 1 47 GLN H 1 48 ASP H 4.000 . 4.400 2.597 2.314 2.869 . 0 0 "[ . 1 . 2]" 2
1186 1 45 PRO HA 1 52 SER H 4.500 . 4.950 4.955 4.718 5.105 0.155 17 0 "[ . 1 . 2]" 2
1187 1 46 ILE MD 1 53 HIS H 4.500 . 4.950 3.001 2.332 3.543 . 0 0 "[ . 1 . 2]" 2
1188 2 8 HIS HA 2 9 ASP H 3.500 . 3.850 3.127 2.241 3.505 . 0 0 "[ . 1 . 2]" 2
1189 2 8 HIS HA 2 86 ASP H 5.500 . 6.050 5.696 4.883 6.121 0.071 20 0 "[ . 1 . 2]" 2
1190 2 9 ASP HA 2 10 ASN H 4.500 . 4.950 3.519 3.421 3.598 . 0 0 "[ . 1 . 2]" 2
1191 2 9 ASP HB3 2 10 ASN H 3.500 . 3.850 2.714 2.053 3.948 0.098 5 0 "[ . 1 . 2]" 2
1192 2 10 ASN H 2 11 VAL H 4.500 . 4.950 4.561 4.453 4.633 . 0 0 "[ . 1 . 2]" 2
1193 2 10 ASN H 2 11 VAL QG 4.500 . 4.950 4.736 4.571 4.909 . 0 0 "[ . 1 . 2]" 2
1194 2 11 VAL H 2 58 VAL H 3.500 . 3.850 2.647 2.224 3.469 . 0 0 "[ . 1 . 2]" 2
1195 2 11 VAL H 2 60 ASP H 4.500 . 4.950 4.148 3.510 4.530 . 0 0 "[ . 1 . 2]" 2
1196 2 11 VAL QG 2 61 ASP H 4.500 . 4.950 4.409 4.039 4.701 . 0 0 "[ . 1 . 2]" 2
1197 2 12 ILE H 2 83 ASN H 3.500 . 3.850 3.757 3.214 3.949 0.099 13 0 "[ . 1 . 2]" 2
1198 2 12 ILE HA 2 13 LEU H 2.500 . 2.750 2.277 2.200 2.310 . 0 0 "[ . 1 . 2]" 2
1199 2 12 ILE MG 2 13 LEU H 4.500 . 4.950 3.582 3.370 3.708 . 0 0 "[ . 1 . 2]" 2
1200 2 13 LEU HB3 2 14 GLU H 4.500 . 4.950 4.004 3.772 4.428 . 0 0 "[ . 1 . 2]" 2
1201 2 13 LEU HB2 2 14 GLU H 4.500 . 4.950 4.494 4.411 4.662 . 0 0 "[ . 1 . 2]" 2
1202 2 13 LEU HA 2 14 GLU H 2.500 . 2.750 2.203 2.084 2.296 . 0 0 "[ . 1 . 2]" 2
1203 2 13 LEU MD2 2 56 LEU H 5.000 . 5.500 5.236 4.189 5.534 0.034 10 0 "[ . 1 . 2]" 2
1204 2 14 GLU HA 2 15 LEU H 2.500 . 2.750 2.168 2.074 2.264 . 0 0 "[ . 1 . 2]" 2
1205 2 14 GLU H 2 81 GLN H 3.500 . 3.850 3.715 3.430 3.979 0.129 9 0 "[ . 1 . 2]" 2
1206 2 14 GLU H 2 82 ARG HA 3.500 . 3.850 3.596 2.697 3.973 0.123 19 0 "[ . 1 . 2]" 2
1207 2 15 LEU H 2 54 ILE H 3.500 . 3.850 3.172 2.410 3.819 . 0 0 "[ . 1 . 2]" 2
1208 2 15 LEU HA 2 16 THR H 2.800 . 3.080 2.117 2.054 2.208 . 0 0 "[ . 1 . 2]" 2
1209 2 15 LEU HG 2 16 THR H 5.000 . 5.500 5.347 5.038 5.645 0.145 16 0 "[ . 1 . 2]" 2
1210 2 15 LEU MD1 2 16 THR H 4.500 . 4.950 4.256 3.512 5.289 0.339 15 0 "[ . 1 . 2]" 2
1211 2 15 LEU H 2 81 GLN H 5.500 . 6.050 4.792 4.461 5.131 . 0 0 "[ . 1 . 2]" 2
1212 2 15 LEU HG 2 81 GLN H 5.500 . 6.050 5.494 4.688 6.324 0.274 17 0 "[ . 1 . 2]" 2
1213 2 16 THR H 2 79 LYS H 3.500 . 3.850 3.270 2.752 3.673 . 0 0 "[ . 1 . 2]" 2
1214 2 16 THR HA 2 17 VAL H 2.500 . 2.750 2.186 2.155 2.235 . 0 0 "[ . 1 . 2]" 2
1215 2 16 THR MG 2 17 VAL H 3.500 . 3.850 3.277 3.078 3.457 . 0 0 "[ . 1 . 2]" 2
1216 2 16 THR MG 2 52 SER H 4.500 . 4.950 3.364 2.530 4.141 . 0 0 "[ . 1 . 2]" 2
1217 2 16 THR HB 2 79 LYS H 4.500 . 4.950 2.564 2.105 3.042 . 0 0 "[ . 1 . 2]" 2
1218 2 17 VAL HA 2 18 ARG H 3.000 . 3.300 2.245 2.151 2.341 . 0 0 "[ . 1 . 2]" 2
1219 2 17 VAL HB 2 18 ARG H 4.500 . 4.950 2.957 2.805 3.230 . 0 0 "[ . 1 . 2]" 2
1220 2 17 VAL H 2 52 SER H 3.500 . 3.850 3.263 2.438 3.682 . 0 0 "[ . 1 . 2]" 2
1221 2 17 VAL H 2 53 HIS HA 4.500 . 4.950 3.348 3.040 3.834 . 0 0 "[ . 1 . 2]" 2
1222 2 17 VAL HA 2 78 VAL H 5.500 . 6.050 2.303 2.033 2.735 . 0 0 "[ . 1 . 2]" 2
1223 2 17 VAL HA 2 79 LYS H 5.500 . 6.050 4.195 3.947 4.526 . 0 0 "[ . 1 . 2]" 2
1224 2 18 ARG H 2 52 SER H 5.000 . 5.500 4.917 4.679 5.062 . 0 0 "[ . 1 . 2]" 2
1225 2 18 ARG H 2 78 VAL H 5.000 . 5.500 3.590 3.286 3.875 . 0 0 "[ . 1 . 2]" 2
1226 2 18 ARG HA 2 19 ASN H 3.500 . 3.850 2.291 2.089 2.414 . 0 0 "[ . 1 . 2]" 2
1227 2 18 ARG HB2 2 19 ASN H 4.500 . 4.950 2.932 2.605 3.618 . 0 0 "[ . 1 . 2]" 2
1228 2 18 ARG HB3 2 19 ASN H 4.500 . 4.950 3.980 3.749 4.229 . 0 0 "[ . 1 . 2]" 2
1229 2 18 ARG HB3 2 51 LYS H 5.000 . 5.500 5.412 4.472 5.785 0.285 7 0 "[ . 1 . 2]" 2
1230 2 18 ARG HA 2 52 SER H 3.500 . 3.850 3.453 3.047 3.915 0.065 17 0 "[ . 1 . 2]" 2
1231 2 18 ARG HB3 2 52 SER H 5.000 . 5.500 5.088 4.441 5.544 0.044 19 0 "[ . 1 . 2]" 2
1232 2 19 ASN H 2 20 HIS H 3.500 . 3.850 3.941 3.843 4.035 0.185 14 0 "[ . 1 . 2]" 2
1233 2 19 ASN HA 2 20 HIS H 3.500 . 3.850 2.252 2.150 2.388 . 0 0 "[ . 1 . 2]" 2
1234 2 19 ASN QB 2 20 HIS H 4.500 . 4.950 3.928 3.735 4.058 . 0 0 "[ . 1 . 2]" 2
1235 2 19 ASN H 2 51 LYS HA 4.500 . 4.950 3.389 2.336 4.577 . 0 0 "[ . 1 . 2]" 2
1236 2 21 PRO HA 2 22 GLY H 3.500 . 3.850 2.222 2.181 2.252 . 0 0 "[ . 1 . 2]" 2
1237 2 21 PRO HB3 2 22 GLY H 4.500 . 4.950 4.145 4.099 4.334 . 0 0 "[ . 1 . 2]" 2
1238 2 22 GLY H 2 23 VAL H 3.500 . 3.850 2.632 2.085 3.021 . 0 0 "[ . 1 . 2]" 2
1239 2 22 GLY HA2 2 23 VAL H 3.500 . 3.850 2.918 2.658 3.571 . 0 0 "[ . 1 . 2]" 2
1240 2 23 VAL H 2 24 MET H 4.500 . 4.950 2.612 2.331 2.889 . 0 0 "[ . 1 . 2]" 2
1241 2 24 MET H 2 25 THR H 3.000 . 3.300 2.682 2.516 2.824 . 0 0 "[ . 1 . 2]" 2
1242 2 24 MET H 2 26 HIS H 4.500 . 4.950 4.069 3.791 4.265 . 0 0 "[ . 1 . 2]" 2
1243 2 24 MET HA 2 27 VAL H 3.800 . 4.180 3.528 3.133 3.870 . 0 0 "[ . 1 . 2]" 2
1244 2 24 MET HB2 2 28 CYS H 5.500 . 6.050 5.522 5.007 6.056 0.006 4 0 "[ . 1 . 2]" 2
1245 2 25 THR H 2 27 VAL H 4.500 . 4.950 4.383 4.152 4.684 . 0 0 "[ . 1 . 2]" 2
1246 2 25 THR H 2 26 HIS H 3.000 . 3.300 2.570 2.456 2.697 . 0 0 "[ . 1 . 2]" 2
1247 2 25 THR HA 2 26 HIS H 3.800 . 4.180 3.526 3.497 3.581 . 0 0 "[ . 1 . 2]" 2
1248 2 25 THR HB 2 26 HIS H 4.500 . 4.950 3.053 2.492 3.967 . 0 0 "[ . 1 . 2]" 2
1249 2 25 THR HA 2 28 CYS H 3.800 . 4.180 3.841 3.630 4.078 . 0 0 "[ . 1 . 2]" 2
1250 2 25 THR MG 2 29 GLY H 5.500 . 6.050 4.658 4.153 5.719 . 0 0 "[ . 1 . 2]" 2
1251 2 26 HIS HA 2 29 GLY H 3.800 . 4.180 3.693 3.407 4.024 . 0 0 "[ . 1 . 2]" 2
1252 2 26 HIS H 2 28 CYS H 4.500 . 4.950 4.199 3.985 4.469 . 0 0 "[ . 1 . 2]" 2
1253 2 26 HIS H 2 27 VAL H 3.000 . 3.300 2.716 2.568 2.889 . 0 0 "[ . 1 . 2]" 2
1254 2 27 VAL HA 2 28 CYS H 3.800 . 4.180 3.551 3.521 3.571 . 0 0 "[ . 1 . 2]" 2
1255 2 27 VAL H 2 28 CYS H 3.000 . 3.300 2.696 2.612 2.788 . 0 0 "[ . 1 . 2]" 2
1256 2 27 VAL HB 2 28 CYS H 4.500 . 4.950 3.820 3.671 3.991 . 0 0 "[ . 1 . 2]" 2
1257 2 27 VAL QG 2 29 GLY H 5.500 . 6.050 4.110 4.023 4.201 . 0 0 "[ . 1 . 2]" 2
1258 2 28 CYS HB2 2 29 GLY H 4.500 . 4.950 3.183 2.743 4.069 . 0 0 "[ . 1 . 2]" 2
1259 2 28 CYS HB3 2 29 GLY H 4.500 . 4.950 3.670 2.538 3.983 . 0 0 "[ . 1 . 2]" 2
1260 2 28 CYS HA 2 32 ALA H 4.500 . 4.950 4.121 3.777 4.364 . 0 0 "[ . 1 . 2]" 2
1261 2 28 CYS H 2 30 LEU H 4.500 . 4.950 4.318 3.932 4.552 . 0 0 "[ . 1 . 2]" 2
1262 2 28 CYS H 2 29 GLY H 3.000 . 3.300 2.608 2.511 2.701 . 0 0 "[ . 1 . 2]" 2
1263 2 28 CYS HA 2 31 PHE H 3.800 . 4.180 3.732 3.412 4.304 0.124 14 0 "[ . 1 . 2]" 2
1264 2 29 GLY H 2 31 PHE H 4.500 . 4.950 4.358 4.152 4.599 . 0 0 "[ . 1 . 2]" 2
1265 2 29 GLY H 2 30 LEU H 3.000 . 3.300 2.723 2.570 2.873 . 0 0 "[ . 1 . 2]" 2
1266 2 30 LEU H 2 32 ALA H 4.500 . 4.950 4.097 3.811 4.255 . 0 0 "[ . 1 . 2]" 2
1267 2 30 LEU H 2 31 PHE H 3.000 . 3.300 2.710 2.551 2.855 . 0 0 "[ . 1 . 2]" 2
1268 2 30 LEU MD1 2 31 PHE H 4.500 . 4.950 4.667 3.760 4.910 . 0 0 "[ . 1 . 2]" 2
1269 2 30 LEU HA 2 33 ARG H 3.800 . 4.180 3.847 3.578 4.034 . 0 0 "[ . 1 . 2]" 2
1270 2 31 PHE H 2 32 ALA H 3.000 . 3.300 2.489 2.410 2.731 . 0 0 "[ . 1 . 2]" 2
1271 2 31 PHE HA 2 32 ALA H 4.000 . 4.400 3.507 3.483 3.539 . 0 0 "[ . 1 . 2]" 2
1272 2 31 PHE HB2 2 32 ALA H 4.500 . 4.950 2.986 2.788 3.173 . 0 0 "[ . 1 . 2]" 2
1273 2 31 PHE HB3 2 32 ALA H 4.500 . 4.950 3.918 3.707 4.069 . 0 0 "[ . 1 . 2]" 2
1274 2 31 PHE HB3 2 33 ARG H 5.500 . 6.050 5.795 5.466 6.080 0.030 10 0 "[ . 1 . 2]" 2
1275 2 31 PHE HA 2 34 ARG H 6.500 . 7.150 3.685 3.327 4.059 . 0 0 "[ . 1 . 2]" 2
1276 2 31 PHE HB3 2 34 ARG H 5.500 . 6.050 5.447 5.122 5.716 . 0 0 "[ . 1 . 2]" 2
1277 2 32 ALA H 2 33 ARG H 3.200 . 3.520 2.638 2.532 2.830 . 0 0 "[ . 1 . 2]" 2
1278 2 32 ALA HA 2 33 ARG H 3.800 . 4.180 3.560 3.515 3.608 . 0 0 "[ . 1 . 2]" 2
1279 2 32 ALA H 2 34 ARG H 4.500 . 4.950 4.067 3.842 4.271 . 0 0 "[ . 1 . 2]" 2
1280 2 32 ALA MB 2 33 ARG H 4.500 . 4.950 2.617 2.222 3.004 . 0 0 "[ . 1 . 2]" 2
1281 2 33 ARG HA 2 35 ALA H 4.500 . 4.950 4.829 4.401 5.093 0.143 19 0 "[ . 1 . 2]" 2
1282 2 33 ARG H 2 34 ARG H 3.200 . 3.520 2.587 2.173 2.711 . 0 0 "[ . 1 . 2]" 2
1283 2 34 ARG H 2 36 PHE H 4.500 . 4.950 4.965 4.687 5.068 0.118 7 0 "[ . 1 . 2]" 2
1284 2 34 ARG H 2 35 ALA H 3.500 . 3.850 2.837 2.722 2.967 . 0 0 "[ . 1 . 2]" 2
1285 2 34 ARG QG 2 36 PHE H 5.500 . 6.050 3.513 2.429 4.718 . 0 0 "[ . 1 . 2]" 2
1286 2 35 ALA HA 2 36 PHE H 3.500 . 3.850 3.553 3.532 3.582 . 0 0 "[ . 1 . 2]" 2
1287 2 36 PHE HB2 2 37 ASN H 4.500 . 4.950 4.044 3.840 4.330 . 0 0 "[ . 1 . 2]" 2
1288 2 36 PHE HB3 2 37 ASN H 4.500 . 4.950 3.868 3.097 4.302 . 0 0 "[ . 1 . 2]" 2
1289 2 36 PHE H 2 37 ASN H 5.500 . 6.050 4.500 4.396 4.557 . 0 0 "[ . 1 . 2]" 2
1290 2 36 PHE HA 2 37 ASN H 3.500 . 3.850 2.263 2.153 2.394 . 0 0 "[ . 1 . 2]" 2
1291 2 37 ASN H 2 38 VAL H 4.500 . 4.950 4.548 4.445 4.638 . 0 0 "[ . 1 . 2]" 2
1292 2 38 VAL MG2 2 40 GLY H 4.500 . 4.950 4.965 4.812 5.084 0.134 19 0 "[ . 1 . 2]" 2
1293 2 38 VAL MG2 2 57 LEU H 4.500 . 4.950 4.888 4.565 5.124 0.174 9 0 "[ . 1 . 2]" 2
1294 2 38 VAL HA 2 39 GLU H 3.500 . 3.850 2.200 2.140 2.283 . 0 0 "[ . 1 . 2]" 2
1295 2 38 VAL MG1 2 40 GLY H 4.500 . 4.950 2.278 2.064 2.557 . 0 0 "[ . 1 . 2]" 2
1296 2 39 GLU H 2 40 GLY H 4.500 . 4.950 2.515 2.207 2.864 . 0 0 "[ . 1 . 2]" 2
1297 2 39 GLU HB2 2 40 GLY H 4.500 . 4.950 3.763 3.327 4.003 . 0 0 "[ . 1 . 2]" 2
1298 2 39 GLU H 2 57 LEU H 4.500 . 4.950 4.701 4.418 5.021 0.071 16 0 "[ . 1 . 2]" 2
1299 2 40 GLY QA 2 41 ILE H 2.500 . 2.750 2.200 2.160 2.244 . 0 0 "[ . 1 . 2]" 2
1300 2 40 GLY H 2 57 LEU H 3.500 . 3.850 3.288 3.033 3.675 . 0 0 "[ . 1 . 2]" 2
1301 2 41 ILE MG 2 57 LEU H 5.500 . 6.050 4.991 4.586 5.161 . 0 0 "[ . 1 . 2]" 2
1302 2 41 ILE HG12 2 57 LEU H 5.000 . 5.500 4.280 3.993 4.829 . 0 0 "[ . 1 . 2]" 2
1303 2 42 LEU H 2 55 TRP H 3.500 . 3.850 3.038 2.594 3.701 . 0 0 "[ . 1 . 2]" 2
1304 2 44 LEU H 2 54 ILE MG 5.500 . 6.050 4.965 4.504 5.924 . 0 0 "[ . 1 . 2]" 2
1305 2 45 PRO HB2 2 46 ILE H 4.500 . 4.950 3.641 2.938 3.932 . 0 0 "[ . 1 . 2]" 2
1306 2 45 PRO HB3 2 46 ILE H 4.500 . 4.950 4.085 3.692 4.256 . 0 0 "[ . 1 . 2]" 2
1307 2 45 PRO HA 2 46 ILE H 3.200 . 3.520 2.166 2.138 2.243 . 0 0 "[ . 1 . 2]" 2
1308 2 46 ILE H 2 47 GLN H 4.500 . 4.950 4.420 4.229 4.591 . 0 0 "[ . 1 . 2]" 2
1309 2 46 ILE HB 2 47 GLN H 4.500 . 4.950 4.311 4.007 4.448 . 0 0 "[ . 1 . 2]" 2
1310 2 46 ILE H 2 53 HIS H 4.500 . 4.950 4.164 3.536 4.935 . 0 0 "[ . 1 . 2]" 2
1311 2 46 ILE HG13 2 49 SER H 4.500 . 4.950 2.211 1.680 3.094 0.120 9 0 "[ . 1 . 2]" 2
1312 2 46 ILE HG13 2 53 HIS H 4.500 . 4.950 4.450 3.658 5.087 0.137 13 0 "[ . 1 . 2]" 2
1313 2 47 GLN HA 2 48 ASP H 3.500 . 3.850 3.464 3.381 3.577 . 0 0 "[ . 1 . 2]" 2
1314 2 47 GLN HA 2 49 SER H 5.000 . 5.500 4.323 3.961 4.590 . 0 0 "[ . 1 . 2]" 2
1315 2 47 GLN QB 2 49 SER H 5.500 . 6.050 5.175 4.658 5.434 . 0 0 "[ . 1 . 2]" 2
1316 2 48 ASP H 2 49 SER H 3.200 . 3.520 2.620 2.261 2.947 . 0 0 "[ . 1 . 2]" 2
1317 2 48 ASP HA 2 49 SER H 4.500 . 4.950 3.505 3.181 3.580 . 0 0 "[ . 1 . 2]" 2
1318 2 48 ASP HB2 2 49 SER H 5.000 . 5.500 4.026 2.688 4.440 . 0 0 "[ . 1 . 2]" 2
1319 2 48 ASP HB3 2 49 SER H 5.000 . 5.500 3.168 2.602 4.456 . 0 0 "[ . 1 . 2]" 2
1320 2 49 SER HA 2 50 ASP H 3.200 . 3.520 2.494 2.221 2.682 . 0 0 "[ . 1 . 2]" 2
1321 2 49 SER HB2 2 50 ASP H 4.500 . 4.950 3.347 2.055 4.167 . 0 0 "[ . 1 . 2]" 2
1322 2 49 SER HB3 2 50 ASP H 4.500 . 4.950 2.697 2.038 3.891 . 0 0 "[ . 1 . 2]" 2
1323 2 49 SER HB2 2 51 LYS H 4.500 . 4.950 4.508 3.939 4.958 0.008 5 0 "[ . 1 . 2]" 2
1324 2 50 ASP HA 2 51 LYS H 3.500 . 3.850 2.300 2.257 2.357 . 0 0 "[ . 1 . 2]" 2
1325 2 50 ASP H 2 51 LYS H 4.000 . 4.400 3.950 3.791 4.084 . 0 0 "[ . 1 . 2]" 2
1326 2 51 LYS QB 2 52 SER H 4.500 . 4.950 2.440 2.049 3.368 . 0 0 "[ . 1 . 2]" 2
1327 2 51 LYS HA 2 52 SER H 2.500 . 2.750 2.370 2.211 2.653 . 0 0 "[ . 1 . 2]" 2
1328 2 52 SER HB2 2 53 HIS H 4.500 . 4.950 4.249 4.003 4.506 . 0 0 "[ . 1 . 2]" 2
1329 2 52 SER HA 2 53 HIS H 2.500 . 2.750 2.242 2.200 2.347 . 0 0 "[ . 1 . 2]" 2
1330 2 53 HIS QB 2 54 ILE H 4.500 . 4.950 3.514 3.142 3.999 . 0 0 "[ . 1 . 2]" 2
1331 2 57 LEU HB2 2 58 VAL H 4.500 . 4.950 4.488 4.431 4.543 . 0 0 "[ . 1 . 2]" 2
1332 2 57 LEU HB3 2 58 VAL H 4.500 . 4.950 3.824 3.674 3.968 . 0 0 "[ . 1 . 2]" 2
1333 2 58 VAL HA 2 59 ASN H 3.200 . 3.520 2.353 2.280 2.400 . 0 0 "[ . 1 . 2]" 2
1334 2 59 ASN HB2 2 60 ASP H 4.500 . 4.950 3.140 2.764 3.631 . 0 0 "[ . 1 . 2]" 2
1335 2 59 ASN H 2 60 ASP H 4.500 . 4.950 4.576 4.377 4.670 . 0 0 "[ . 1 . 2]" 2
1336 2 60 ASP H 2 61 ASP H 4.500 . 4.950 4.587 4.498 4.650 . 0 0 "[ . 1 . 2]" 2
1337 2 60 ASP HA 2 61 ASP H 4.500 . 4.950 2.263 2.149 2.523 . 0 0 "[ . 1 . 2]" 2
1338 2 61 ASP HA 2 63 ARG H 4.500 . 4.950 4.253 3.932 4.428 . 0 0 "[ . 1 . 2]" 2
1339 2 61 ASP HA 2 64 LEU H 4.500 . 4.950 4.334 4.080 4.580 . 0 0 "[ . 1 . 2]" 2
1340 2 61 ASP H 2 64 LEU H 4.000 . 4.400 3.632 3.332 3.894 . 0 0 "[ . 1 . 2]" 2
1341 2 61 ASP H 2 64 LEU HB3 4.500 . 4.950 2.247 1.888 2.972 . 0 0 "[ . 1 . 2]" 2
1342 2 61 ASP HB3 2 64 LEU H 4.500 . 4.950 2.238 1.700 2.835 0.100 4 0 "[ . 1 . 2]" 2
1343 2 63 ARG H 2 64 LEU H 3.800 . 4.180 2.386 2.287 2.495 . 0 0 "[ . 1 . 2]" 2
1344 2 63 ARG HA 2 64 LEU H 3.800 . 4.180 3.496 3.406 3.564 . 0 0 "[ . 1 . 2]" 2
1345 2 63 ARG HA 2 66 GLN H 4.500 . 4.950 3.479 3.177 3.906 . 0 0 "[ . 1 . 2]" 2
1346 2 64 LEU HA 2 65 GLU H 3.800 . 4.180 3.553 3.507 3.609 . 0 0 "[ . 1 . 2]" 2
1347 2 64 LEU QB 2 65 GLU H 4.500 . 4.950 2.531 2.258 2.953 . 0 0 "[ . 1 . 2]" 2
1348 2 64 LEU H 2 66 GLN H 4.500 . 4.950 4.279 4.113 4.422 . 0 0 "[ . 1 . 2]" 2
1349 2 64 LEU HB3 2 66 GLN H 5.000 . 5.500 5.003 4.752 5.352 . 0 0 "[ . 1 . 2]" 2
1350 2 65 GLU H 2 66 GLN H 3.000 . 3.300 2.692 2.586 2.821 . 0 0 "[ . 1 . 2]" 2
1351 2 65 GLU HA 2 66 GLN H 3.800 . 4.180 3.520 3.485 3.553 . 0 0 "[ . 1 . 2]" 2
1352 2 65 GLU QB 2 66 GLN H 4.500 . 4.950 2.709 2.334 3.488 . 0 0 "[ . 1 . 2]" 2
1353 2 65 GLU H 2 67 MET H 4.500 . 4.950 4.116 3.976 4.429 . 0 0 "[ . 1 . 2]" 2
1354 2 66 GLN HA 2 69 SER H 3.800 . 4.180 3.407 3.226 3.635 . 0 0 "[ . 1 . 2]" 2
1355 2 66 GLN QB 2 67 MET H 3.800 . 4.180 2.640 2.418 2.784 . 0 0 "[ . 1 . 2]" 2
1356 2 66 GLN H 2 68 ILE H 4.500 . 4.950 3.972 3.803 4.210 . 0 0 "[ . 1 . 2]" 2
1357 2 67 MET H 2 68 ILE H 3.000 . 3.300 2.563 2.399 2.744 . 0 0 "[ . 1 . 2]" 2
1358 2 67 MET HA 2 68 ILE H 3.800 . 4.180 3.528 3.491 3.560 . 0 0 "[ . 1 . 2]" 2
1359 2 67 MET H 2 69 SER H 4.500 . 4.950 4.040 3.897 4.307 . 0 0 "[ . 1 . 2]" 2
1360 2 67 MET H 2 70 GLN H 4.500 . 4.950 4.660 4.553 4.810 . 0 0 "[ . 1 . 2]" 2
1361 2 68 ILE H 2 69 SER H 3.000 . 3.300 2.623 2.527 2.776 . 0 0 "[ . 1 . 2]" 2
1362 2 68 ILE H 2 70 GLN H 4.500 . 4.950 3.970 3.830 4.062 . 0 0 "[ . 1 . 2]" 2
1363 2 69 SER H 2 70 GLN HB2 5.000 . 5.500 4.761 4.643 4.912 . 0 0 "[ . 1 . 2]" 2
1364 2 69 SER H 2 71 ILE H 4.500 . 4.950 4.313 4.110 4.492 . 0 0 "[ . 1 . 2]" 2
1365 2 70 GLN H 2 71 ILE H 3.000 . 3.300 2.595 2.392 2.776 . 0 0 "[ . 1 . 2]" 2
1366 2 70 GLN QB 2 71 ILE H 4.500 . 4.950 2.464 2.325 2.665 . 0 0 "[ . 1 . 2]" 2
1367 2 70 GLN HA 2 71 ILE H 3.800 . 4.180 3.577 3.565 3.592 . 0 0 "[ . 1 . 2]" 2
1368 2 70 GLN H 2 72 ASP H 4.500 . 4.950 3.920 3.773 4.203 . 0 0 "[ . 1 . 2]" 2
1369 2 71 ILE H 2 72 ASP H 3.000 . 3.300 2.562 2.387 2.696 . 0 0 "[ . 1 . 2]" 2
1370 2 71 ILE HA 2 72 ASP H 3.800 . 4.180 3.493 3.456 3.574 . 0 0 "[ . 1 . 2]" 2
1371 2 71 ILE HB 2 72 ASP H 4.500 . 4.950 4.038 3.912 4.205 . 0 0 "[ . 1 . 2]" 2
1372 2 71 ILE HG12 2 72 ASP H 4.500 . 4.950 4.288 4.054 5.031 0.081 1 0 "[ . 1 . 2]" 2
1373 2 71 ILE MG 2 72 ASP H 5.000 . 5.500 2.397 2.233 2.595 . 0 0 "[ . 1 . 2]" 2
1374 2 71 ILE HA 2 74 LEU H 3.800 . 4.180 3.632 3.370 3.890 . 0 0 "[ . 1 . 2]" 2
1375 2 71 ILE H 2 73 LYS H 4.500 . 4.950 4.228 4.080 4.379 . 0 0 "[ . 1 . 2]" 2
1376 2 72 ASP H 2 73 LYS H 3.500 . 3.850 2.721 2.636 2.814 . 0 0 "[ . 1 . 2]" 2
1377 2 72 ASP HA 2 73 LYS H 3.500 . 3.850 3.512 3.460 3.542 . 0 0 "[ . 1 . 2]" 2
1378 2 72 ASP H 2 74 LEU H 4.500 . 4.950 4.231 4.111 4.351 . 0 0 "[ . 1 . 2]" 2
1379 2 73 LYS H 2 74 LEU H 3.500 . 3.850 2.611 2.459 2.837 . 0 0 "[ . 1 . 2]" 2
1380 2 73 LYS QB 2 74 LEU H 4.500 . 4.950 3.354 2.942 4.069 . 0 0 "[ . 1 . 2]" 2
1381 2 74 LEU H 2 75 GLU QG 5.500 . 6.050 5.759 5.373 6.126 0.076 10 0 "[ . 1 . 2]" 2
1382 2 74 LEU HA 2 75 GLU H 3.500 . 3.850 2.252 2.181 2.342 . 0 0 "[ . 1 . 2]" 2
1383 2 74 LEU HB3 2 75 GLU H 4.500 . 4.950 2.948 2.702 4.214 . 0 0 "[ . 1 . 2]" 2
1384 2 74 LEU HG 2 75 GLU H 4.500 . 4.950 4.779 2.784 5.057 0.107 1 0 "[ . 1 . 2]" 2
1385 2 74 LEU QD 2 75 GLU H 4.500 . 4.950 3.034 2.553 3.520 . 0 0 "[ . 1 . 2]" 2
1386 2 74 LEU HA 2 76 ASP H 4.500 . 4.950 4.001 3.751 4.289 . 0 0 "[ . 1 . 2]" 2
1387 2 74 LEU QB 2 76 ASP H 4.500 . 4.950 2.576 2.097 3.826 . 0 0 "[ . 1 . 2]" 2
1388 2 74 LEU QD 2 76 ASP H 5.000 . 5.500 3.734 2.599 4.159 . 0 0 "[ . 1 . 2]" 2
1389 2 75 GLU H 2 76 ASP H 3.500 . 3.850 2.553 2.418 2.657 . 0 0 "[ . 1 . 2]" 2
1390 2 75 GLU HA 2 76 ASP H 3.500 . 3.850 3.430 3.376 3.532 . 0 0 "[ . 1 . 2]" 2
1391 2 75 GLU QB 2 76 ASP H 4.500 . 4.950 3.110 2.672 3.794 . 0 0 "[ . 1 . 2]" 2
1392 2 75 GLU QG 2 76 ASP H 4.500 . 4.950 4.078 2.905 4.363 . 0 0 "[ . 1 . 2]" 2
1393 2 75 GLU H 2 77 VAL H 4.500 . 4.950 4.477 4.125 4.774 . 0 0 "[ . 1 . 2]" 2
1394 2 75 GLU QB 2 77 VAL H 5.000 . 6.000 5.136 4.893 5.385 . 0 0 "[ . 1 . 2]" 2
1395 2 76 ASP H 2 77 VAL H 3.500 . 3.850 2.678 2.542 2.805 . 0 0 "[ . 1 . 2]" 2
1396 2 80 VAL HB 2 81 GLN H 4.500 . 4.950 4.136 2.780 4.441 . 0 0 "[ . 1 . 2]" 2
1397 2 84 GLN HB2 2 85 SER H 4.500 . 4.950 3.887 2.885 4.506 . 0 0 "[ . 1 . 2]" 2
1398 2 84 GLN HA 2 85 SER H 3.500 . 3.850 2.230 2.066 2.379 . 0 0 "[ . 1 . 2]" 2
1399 2 85 SER HB2 2 86 ASP H 4.500 . 4.950 3.884 3.660 4.516 . 0 0 "[ . 1 . 2]" 2
1400 2 85 SER HB3 2 86 ASP H 4.500 . 4.950 3.652 3.133 4.467 . 0 0 "[ . 1 . 2]" 2
1401 2 85 SER H 2 86 ASP H 5.500 . 6.050 4.414 4.005 4.607 . 0 0 "[ . 1 . 2]" 2
1402 2 87 PRO HB3 2 88 THR H 4.500 . 4.950 4.261 3.839 4.664 . 0 0 "[ . 1 . 2]" 2
1403 2 88 THR H 2 89 MET H 3.000 . 3.300 2.607 2.369 2.867 . 0 0 "[ . 1 . 2]" 2
1404 2 88 THR HA 2 89 MET H 3.800 . 4.180 3.408 3.236 3.539 . 0 0 "[ . 1 . 2]" 2
1405 2 88 THR MG 2 89 MET H 4.500 . 4.950 4.193 3.983 4.390 . 0 0 "[ . 1 . 2]" 2
1406 2 88 THR HA 2 92 LYS H 4.500 . 4.950 4.380 4.059 4.597 . 0 0 "[ . 1 . 2]" 2
1407 2 89 MET H 2 90 PHE H 3.500 . 3.850 2.848 2.667 3.180 . 0 0 "[ . 1 . 2]" 2
1408 2 90 PHE H 2 91 ASN H 3.000 . 3.300 2.789 2.622 2.997 . 0 0 "[ . 1 . 2]" 2
1409 2 90 PHE HA 2 93 ILE H 3.800 . 4.180 4.142 3.718 4.366 0.186 16 0 "[ . 1 . 2]" 2
1410 2 90 PHE HA 2 91 ASN H 3.800 . 4.180 3.549 3.480 3.585 . 0 0 "[ . 1 . 2]" 2
1411 2 90 PHE H 2 92 LYS H 4.500 . 4.950 4.092 3.819 4.330 . 0 0 "[ . 1 . 2]" 2
1412 2 91 ASN QB 2 92 LYS H 4.500 . 4.950 2.720 2.494 2.965 . 0 0 "[ . 1 . 2]" 2
1413 2 92 LYS H 2 93 ILE H 3.000 . 3.300 2.884 2.725 3.039 . 0 0 "[ . 1 . 2]" 2
1414 2 92 LYS HA 2 93 ILE H 3.800 . 4.180 3.594 3.537 3.638 . 0 0 "[ . 1 . 2]" 2
1415 2 93 ILE H 2 94 ALA H 3.000 . 3.300 2.462 2.351 2.583 . 0 0 "[ . 1 . 2]" 2
1416 2 93 ILE HB 2 97 PHE H 4.500 . 4.950 4.712 4.336 4.969 0.019 16 0 "[ . 1 . 2]" 2
1417 2 93 ILE MG 2 97 PHE H 5.500 . 6.050 5.500 5.056 5.851 . 0 0 "[ . 1 . 2]" 2
1418 2 93 ILE H 2 95 VAL H 4.500 . 4.950 4.300 4.047 4.502 . 0 0 "[ . 1 . 2]" 2
1419 2 94 ALA H 2 95 VAL H 3.000 . 3.300 2.717 2.604 2.849 . 0 0 "[ . 1 . 2]" 2
1420 2 95 VAL H 2 96 PHE H 3.000 . 3.300 2.502 2.345 2.695 . 0 0 "[ . 1 . 2]" 2
1421 2 95 VAL MG1 2 96 PHE H 4.500 . 4.950 3.059 2.206 4.128 . 0 0 "[ . 1 . 2]" 2
1422 2 95 VAL H 2 97 PHE H 4.500 . 4.950 4.020 3.552 4.431 . 0 0 "[ . 1 . 2]" 2
1423 2 96 PHE QB 2 97 PHE H 3.800 . 4.180 2.826 2.444 3.287 . 0 0 "[ . 1 . 2]" 2
1424 2 96 PHE HA 2 97 PHE H 3.800 . 4.180 3.492 3.341 3.595 . 0 0 "[ . 1 . 2]" 2
1425 2 96 PHE H 2 98 GLN H 4.500 . 4.950 4.520 3.960 5.092 0.142 18 0 "[ . 1 . 2]" 2
1426 2 97 PHE H 2 98 GLN H 4.500 . 4.950 2.920 2.557 3.674 . 0 0 "[ . 1 . 2]" 2
1427 2 97 PHE HA 2 98 GLN H 4.500 . 4.950 2.974 2.361 3.601 . 0 0 "[ . 1 . 2]" 2
1428 2 47 GLN H 2 48 ASP H 4.000 . 4.400 2.597 2.339 2.842 . 0 0 "[ . 1 . 2]" 2
1429 2 45 PRO HA 2 52 SER H 4.500 . 4.950 4.954 4.720 5.089 0.139 17 0 "[ . 1 . 2]" 2
1430 2 46 ILE MD 2 53 HIS H 4.500 . 4.950 2.994 2.344 3.536 . 0 0 "[ . 1 . 2]" 2
1431 1 10 ASN H 1 10 ASN HD21 4.500 . 4.950 4.481 3.944 4.895 . 0 0 "[ . 1 . 2]" 2
1432 1 12 ILE H 1 12 ILE HG12 4.500 . 4.950 2.284 2.098 2.463 . 0 0 "[ . 1 . 2]" 2
1433 1 13 LEU H 1 13 LEU HG 4.500 . 4.950 2.998 2.474 4.739 . 0 0 "[ . 1 . 2]" 2
1434 1 13 LEU H 1 13 LEU MD1 5.500 . 6.050 3.963 3.694 4.365 . 0 0 "[ . 1 . 2]" 2
1435 1 13 LEU H 1 13 LEU MD2 5.500 . 6.050 3.593 3.281 4.363 . 0 0 "[ . 1 . 2]" 2
1436 1 15 LEU H 1 15 LEU HG 4.500 . 4.950 2.797 1.904 4.192 . 0 0 "[ . 1 . 2]" 2
1437 1 15 LEU H 1 15 LEU MD1 5.500 . 6.050 3.228 2.295 4.116 . 0 0 "[ . 1 . 2]" 2
1438 1 16 THR H 1 16 THR MG 4.500 . 4.950 3.817 3.782 3.878 . 0 0 "[ . 1 . 2]" 2
1439 1 17 VAL H 1 17 VAL MG1 4.500 . 4.950 2.480 2.307 2.684 . 0 0 "[ . 1 . 2]" 2
1440 1 17 VAL H 1 17 VAL MG2 4.500 . 4.950 2.411 2.198 2.657 . 0 0 "[ . 1 . 2]" 2
1441 1 18 ARG H 1 18 ARG HG2 4.500 . 4.950 2.023 1.800 2.243 0.000 7 0 "[ . 1 . 2]" 2
1442 1 23 VAL H 1 23 VAL MG1 4.500 . 4.950 3.084 2.175 3.875 . 0 0 "[ . 1 . 2]" 2
1443 1 23 VAL H 1 23 VAL MG2 4.500 . 4.950 2.061 1.934 2.290 . 0 0 "[ . 1 . 2]" 2
1444 1 25 THR H 1 25 THR MG 4.500 . 4.950 3.484 2.112 3.805 . 0 0 "[ . 1 . 2]" 2
1445 1 30 LEU H 1 30 LEU MD1 4.500 . 4.950 3.909 3.656 4.395 . 0 0 "[ . 1 . 2]" 2
1446 1 38 VAL H 1 38 VAL HB 4.000 . 4.400 2.603 2.463 2.675 . 0 0 "[ . 1 . 2]" 2
1447 1 39 GLU H 1 39 GLU HB2 3.500 . 3.850 2.580 2.188 2.922 . 0 0 "[ . 1 . 2]" 2
1448 1 39 GLU H 1 39 GLU HB3 3.500 . 3.850 2.494 2.249 2.940 . 0 0 "[ . 1 . 2]" 2
1449 1 41 ILE H 1 41 ILE MG 4.500 . 4.950 3.969 3.933 4.006 . 0 0 "[ . 1 . 2]" 2
1450 1 44 LEU H 1 44 LEU MD2 4.500 . 4.950 4.330 3.971 4.410 . 0 0 "[ . 1 . 2]" 2
1451 1 46 ILE H 1 46 ILE MG 4.500 . 4.950 3.801 3.724 3.849 . 0 0 "[ . 1 . 2]" 2
1452 1 46 ILE H 1 46 ILE MD 5.500 . 6.050 2.954 1.908 3.421 . 0 0 "[ . 1 . 2]" 2
1453 1 54 ILE H 1 54 ILE MG 4.500 . 4.950 3.892 3.807 3.956 . 0 0 "[ . 1 . 2]" 2
1454 1 56 LEU H 1 56 LEU MD1 4.500 . 4.950 3.578 2.025 4.326 . 0 0 "[ . 1 . 2]" 2
1455 1 56 LEU H 1 56 LEU MD2 4.500 . 4.950 2.960 2.131 4.269 . 0 0 "[ . 1 . 2]" 2
1456 1 59 ASN H 1 59 ASN HD21 4.500 . 4.950 3.828 1.661 4.754 0.139 5 0 "[ . 1 . 2]" 2
1457 1 64 LEU H 1 64 LEU MD1 4.500 . 4.950 4.219 3.946 4.470 . 0 0 "[ . 1 . 2]" 2
1458 1 64 LEU H 1 64 LEU MD2 4.500 . 4.950 4.097 3.417 4.481 . 0 0 "[ . 1 . 2]" 2
1459 1 67 MET H 1 67 MET QG 4.500 . 4.950 2.894 2.060 4.106 . 0 0 "[ . 1 . 2]" 2
1460 1 70 GLN H 1 70 GLN HG2 4.500 . 4.950 4.447 4.310 4.543 . 0 0 "[ . 1 . 2]" 2
1461 1 70 GLN H 1 70 GLN HG3 4.500 . 4.950 4.603 4.550 4.676 . 0 0 "[ . 1 . 2]" 2
1462 1 73 LYS H 1 73 LYS HD2 4.500 . 4.950 4.350 2.922 4.867 . 0 0 "[ . 1 . 2]" 2
1463 1 73 LYS H 1 73 LYS HD3 4.500 . 4.950 4.000 3.099 4.773 . 0 0 "[ . 1 . 2]" 2
1464 1 75 GLU H 1 75 GLU QG 4.500 . 4.950 2.171 1.840 2.356 . 0 0 "[ . 1 . 2]" 2
1465 1 76 ASP H 1 76 ASP HB2 3.500 . 3.850 3.056 2.527 3.655 . 0 0 "[ . 1 . 2]" 2
1466 1 76 ASP H 1 76 ASP HB3 3.500 . 3.850 3.215 2.564 3.643 . 0 0 "[ . 1 . 2]" 2
1467 1 80 VAL H 1 80 VAL MG1 4.500 . 4.950 2.394 2.077 3.069 . 0 0 "[ . 1 . 2]" 2
1468 1 80 VAL H 1 80 VAL MG2 4.500 . 4.950 3.924 2.398 4.082 . 0 0 "[ . 1 . 2]" 2
1469 1 89 MET H 1 89 MET HG2 4.500 . 4.950 3.985 2.087 4.664 . 0 0 "[ . 1 . 2]" 2
1470 1 89 MET H 1 89 MET HG3 4.500 . 4.950 4.303 3.570 4.648 . 0 0 "[ . 1 . 2]" 2
1471 1 92 LYS H 1 92 LYS QG 4.500 . 4.950 3.766 2.237 4.101 . 0 0 "[ . 1 . 2]" 2
1472 1 92 LYS H 1 92 LYS QD 4.500 . 4.950 4.326 3.677 4.947 . 0 0 "[ . 1 . 2]" 2
1473 1 93 ILE H 1 93 ILE HG12 5.500 . 6.050 2.712 1.818 3.419 . 0 0 "[ . 1 . 2]" 2
1474 1 93 ILE H 1 93 ILE MD 5.500 . 6.050 2.430 1.782 3.832 0.018 3 0 "[ . 1 . 2]" 2
1475 1 95 VAL H 1 95 VAL MG1 4.500 . 4.950 2.432 2.102 3.852 . 0 0 "[ . 1 . 2]" 2
1476 1 95 VAL H 1 95 VAL MG2 4.500 . 4.950 3.187 2.033 3.884 . 0 0 "[ . 1 . 2]" 2
1477 2 10 ASN H 2 10 ASN HD21 4.500 . 4.950 4.469 4.010 4.767 . 0 0 "[ . 1 . 2]" 2
1478 2 12 ILE H 2 12 ILE HG12 4.500 . 4.950 2.281 2.097 2.473 . 0 0 "[ . 1 . 2]" 2
1479 2 13 LEU H 2 13 LEU HG 4.500 . 4.950 2.997 2.471 4.744 . 0 0 "[ . 1 . 2]" 2
1480 2 13 LEU H 2 13 LEU MD1 5.500 . 6.050 3.964 3.694 4.367 . 0 0 "[ . 1 . 2]" 2
1481 2 13 LEU H 2 13 LEU MD2 5.500 . 6.050 3.591 3.291 4.362 . 0 0 "[ . 1 . 2]" 2
1482 2 15 LEU H 2 15 LEU HG 4.500 . 4.950 2.797 1.903 4.198 . 0 0 "[ . 1 . 2]" 2
1483 2 15 LEU H 2 15 LEU MD1 5.500 . 6.050 3.226 2.291 4.116 . 0 0 "[ . 1 . 2]" 2
1484 2 16 THR H 2 16 THR MG 4.500 . 4.950 3.818 3.780 3.882 . 0 0 "[ . 1 . 2]" 2
1485 2 17 VAL H 2 17 VAL MG1 4.500 . 4.950 2.477 2.294 2.679 . 0 0 "[ . 1 . 2]" 2
1486 2 17 VAL H 2 17 VAL MG2 4.500 . 4.950 2.411 2.209 2.656 . 0 0 "[ . 1 . 2]" 2
1487 2 18 ARG H 2 18 ARG HG2 4.500 . 4.950 2.027 1.802 2.237 . 0 0 "[ . 1 . 2]" 2
1488 2 23 VAL H 2 23 VAL MG1 4.500 . 4.950 3.084 2.179 3.875 . 0 0 "[ . 1 . 2]" 2
1489 2 23 VAL H 2 23 VAL MG2 4.500 . 4.950 2.061 1.926 2.295 . 0 0 "[ . 1 . 2]" 2
1490 2 25 THR H 2 25 THR MG 4.500 . 4.950 3.486 2.119 3.803 . 0 0 "[ . 1 . 2]" 2
1491 2 30 LEU H 2 30 LEU MD1 4.500 . 4.950 3.914 3.653 4.389 . 0 0 "[ . 1 . 2]" 2
1492 2 38 VAL H 2 38 VAL HB 4.000 . 4.400 2.604 2.465 2.672 . 0 0 "[ . 1 . 2]" 2
1493 2 39 GLU H 2 39 GLU HB2 3.500 . 3.850 2.582 2.180 2.933 . 0 0 "[ . 1 . 2]" 2
1494 2 39 GLU H 2 39 GLU HB3 3.500 . 3.850 2.487 2.236 2.956 . 0 0 "[ . 1 . 2]" 2
1495 2 41 ILE H 2 41 ILE MG 4.500 . 4.950 3.966 3.929 4.005 . 0 0 "[ . 1 . 2]" 2
1496 2 44 LEU H 2 44 LEU MD2 4.500 . 4.950 4.329 3.971 4.427 . 0 0 "[ . 1 . 2]" 2
1497 2 46 ILE H 2 46 ILE MG 4.500 . 4.950 3.802 3.738 3.857 . 0 0 "[ . 1 . 2]" 2
1498 2 46 ILE H 2 46 ILE MD 5.500 . 6.050 2.950 1.912 3.438 . 0 0 "[ . 1 . 2]" 2
1499 2 54 ILE H 2 54 ILE MG 4.500 . 4.950 3.891 3.804 3.953 . 0 0 "[ . 1 . 2]" 2
1500 2 56 LEU H 2 56 LEU MD1 4.500 . 4.950 3.578 2.032 4.328 . 0 0 "[ . 1 . 2]" 2
1501 2 56 LEU H 2 56 LEU MD2 4.500 . 4.950 2.958 2.125 4.268 . 0 0 "[ . 1 . 2]" 2
1502 2 59 ASN H 2 59 ASN HD21 4.500 . 4.950 3.832 1.693 4.758 0.107 5 0 "[ . 1 . 2]" 2
1503 2 64 LEU H 2 64 LEU MD1 4.500 . 4.950 4.220 3.948 4.466 . 0 0 "[ . 1 . 2]" 2
1504 2 64 LEU H 2 64 LEU MD2 4.500 . 4.950 4.098 3.420 4.480 . 0 0 "[ . 1 . 2]" 2
1505 2 67 MET H 2 67 MET QG 4.500 . 4.950 2.895 2.066 4.107 . 0 0 "[ . 1 . 2]" 2
1506 2 70 GLN H 2 70 GLN HG2 4.500 . 4.950 4.450 4.309 4.542 . 0 0 "[ . 1 . 2]" 2
1507 2 70 GLN H 2 70 GLN HG3 4.500 . 4.950 4.604 4.546 4.673 . 0 0 "[ . 1 . 2]" 2
1508 2 73 LYS H 2 73 LYS HD2 4.500 . 4.950 4.351 2.940 4.861 . 0 0 "[ . 1 . 2]" 2
1509 2 73 LYS H 2 73 LYS HD3 4.500 . 4.950 3.998 3.106 4.753 . 0 0 "[ . 1 . 2]" 2
1510 2 75 GLU H 2 75 GLU QG 4.500 . 4.950 2.171 1.832 2.342 . 0 0 "[ . 1 . 2]" 2
1511 2 76 ASP H 2 76 ASP HB2 3.500 . 3.850 3.059 2.548 3.657 . 0 0 "[ . 1 . 2]" 2
1512 2 76 ASP H 2 76 ASP HB3 3.500 . 3.850 3.219 2.578 3.648 . 0 0 "[ . 1 . 2]" 2
1513 2 80 VAL H 2 80 VAL MG1 4.500 . 4.950 2.393 2.066 3.096 . 0 0 "[ . 1 . 2]" 2
1514 2 80 VAL H 2 80 VAL MG2 4.500 . 4.950 3.925 2.411 4.083 . 0 0 "[ . 1 . 2]" 2
1515 2 89 MET H 2 89 MET HG2 4.500 . 4.950 3.989 2.090 4.686 . 0 0 "[ . 1 . 2]" 2
1516 2 89 MET H 2 89 MET HG3 4.500 . 4.950 4.306 3.561 4.682 . 0 0 "[ . 1 . 2]" 2
1517 2 92 LYS H 2 92 LYS QG 4.500 . 4.950 3.761 2.243 4.100 . 0 0 "[ . 1 . 2]" 2
1518 2 92 LYS H 2 92 LYS QD 4.500 . 4.950 4.317 3.654 4.904 . 0 0 "[ . 1 . 2]" 2
1519 2 93 ILE H 2 93 ILE HG12 5.500 . 6.050 2.695 1.808 3.398 . 0 0 "[ . 1 . 2]" 2
1520 2 93 ILE H 2 93 ILE MD 5.500 . 6.050 2.434 1.787 3.822 0.013 11 0 "[ . 1 . 2]" 2
1521 2 95 VAL H 2 95 VAL MG1 4.500 . 4.950 2.432 2.092 3.851 . 0 0 "[ . 1 . 2]" 2
1522 2 95 VAL H 2 95 VAL MG2 4.500 . 4.950 3.186 2.048 3.885 . 0 0 "[ . 1 . 2]" 2
1523 1 16 THR MG 1 18 ARG H 4.500 . 4.950 4.722 4.510 4.927 . 0 0 "[ . 1 . 2]" 2
1524 1 22 GLY HA3 1 23 VAL H 4.500 . 4.950 3.521 2.957 3.627 . 0 0 "[ . 1 . 2]" 2
1525 1 24 MET HA 1 25 THR H 3.800 . 4.180 3.531 3.495 3.573 . 0 0 "[ . 1 . 2]" 2
1526 1 33 ARG HG2 1 35 ALA H 5.500 . 6.050 6.032 5.589 6.189 0.139 16 0 "[ . 1 . 2]" 2
1527 1 32 ALA HA 1 36 PHE H 5.500 . 6.050 5.628 4.667 6.108 0.058 19 0 "[ . 1 . 2]" 2
1528 1 40 GLY H 1 57 LEU HB3 4.500 . 4.950 3.285 3.039 3.895 . 0 0 "[ . 1 . 2]" 2
1529 1 40 GLY H 1 41 ILE HG12 4.500 . 4.950 2.235 1.987 2.565 . 0 0 "[ . 1 . 2]" 2
1530 1 40 GLY H 1 58 VAL HB 5.500 . 6.050 5.114 4.733 5.381 . 0 0 "[ . 1 . 2]" 2
1531 1 40 GLY H 1 56 LEU HA 5.000 . 5.500 4.938 4.719 5.562 0.062 16 0 "[ . 1 . 2]" 2
1532 1 41 ILE H 1 42 LEU QD 6.500 . 7.150 5.477 5.380 5.642 . 0 0 "[ . 1 . 2]" 2
1533 1 43 CYS H 1 44 LEU MD1 5.500 . 6.050 5.540 3.288 6.093 0.043 8 0 "[ . 1 . 2]" 2
1534 1 53 HIS H 1 54 ILE HG12 6.500 . 7.150 6.617 5.903 7.089 . 0 0 "[ . 1 . 2]" 2
1535 1 54 ILE HB 1 55 TRP H 4.500 . 4.950 4.346 4.056 4.517 . 0 0 "[ . 1 . 2]" 2
1536 1 42 LEU QD 1 55 TRP H 4.500 2.300 4.900 4.213 3.763 4.500 . 0 0 "[ . 1 . 2]" 2
1537 1 12 ILE MG 1 56 LEU H 5.000 . 5.500 4.272 3.850 4.900 . 0 0 "[ . 1 . 2]" 2
1538 1 59 ASN HA 1 60 ASP H 3.500 . 3.850 2.192 2.108 2.289 . 0 0 "[ . 1 . 2]" 2
1539 1 61 ASP H 1 64 LEU HB2 4.000 . 4.400 2.485 1.752 3.504 0.048 5 0 "[ . 1 . 2]" 2
1540 1 61 ASP H 1 63 ARG H 4.500 . 4.950 5.041 4.800 5.160 0.210 14 0 "[ . 1 . 2]" 2
1541 1 62 GLN QB 1 63 ARG H 4.500 . 4.950 2.666 2.499 2.800 . 0 0 "[ . 1 . 2]" 2
1542 1 64 LEU H 1 67 MET HB2 5.500 . 6.350 5.306 4.997 5.788 . 0 0 "[ . 1 . 2]" 2
1543 1 64 LEU H 1 65 GLU H 3.000 . 3.300 2.832 2.606 3.218 . 0 0 "[ . 1 . 2]" 2
1544 1 70 GLN H 1 71 ILE MG 4.500 . 4.950 3.883 3.624 4.118 . 0 0 "[ . 1 . 2]" 2
1545 1 70 GLN HA 1 72 ASP H 4.500 . 4.950 4.399 4.297 4.653 . 0 0 "[ . 1 . 2]" 2
1546 1 89 MET HA 1 92 LYS H 3.800 . 4.180 3.504 3.300 3.924 . 0 0 "[ . 1 . 2]" 2
1547 1 91 ASN HA 1 94 ALA H 3.800 . 4.180 3.648 3.295 3.947 . 0 0 "[ . 1 . 2]" 2
1548 1 93 ILE HG12 1 97 PHE H 5.500 . 6.050 5.630 4.969 6.246 0.196 17 0 "[ . 1 . 2]" 2
1549 1 44 LEU MD2 1 97 PHE H 6.500 . 7.150 3.826 2.712 5.671 . 0 0 "[ . 1 . 2]" 2
1550 2 16 THR MG 2 18 ARG H 4.500 . 4.950 4.721 4.490 4.939 . 0 0 "[ . 1 . 2]" 2
1551 2 22 GLY HA3 2 23 VAL H 4.500 . 4.950 3.519 2.946 3.627 . 0 0 "[ . 1 . 2]" 2
1552 2 24 MET HA 2 25 THR H 3.800 . 4.180 3.530 3.495 3.575 . 0 0 "[ . 1 . 2]" 2
1553 2 33 ARG HG2 2 35 ALA H 5.500 . 6.050 6.034 5.591 6.203 0.153 16 0 "[ . 1 . 2]" 2
1554 2 32 ALA HA 2 36 PHE H 5.500 . 6.050 5.622 4.629 6.120 0.070 19 0 "[ . 1 . 2]" 2
1555 2 40 GLY H 2 57 LEU HB3 4.500 . 4.950 3.303 3.008 3.917 . 0 0 "[ . 1 . 2]" 2
1556 2 40 GLY H 2 41 ILE HG12 4.500 . 4.950 2.242 1.981 2.559 . 0 0 "[ . 1 . 2]" 2
1557 2 40 GLY H 2 58 VAL HB 5.500 . 6.050 5.148 4.757 5.430 . 0 0 "[ . 1 . 2]" 2
1558 2 40 GLY H 2 56 LEU HA 5.000 . 5.500 4.946 4.722 5.565 0.065 16 0 "[ . 1 . 2]" 2
1559 2 41 ILE H 2 42 LEU QD 6.500 . 7.150 5.472 5.370 5.634 . 0 0 "[ . 1 . 2]" 2
1560 2 43 CYS H 2 44 LEU MD1 5.500 . 6.050 5.543 3.282 6.095 0.045 8 0 "[ . 1 . 2]" 2
1561 2 53 HIS H 2 54 ILE HG12 6.500 . 7.150 6.624 5.897 7.088 . 0 0 "[ . 1 . 2]" 2
1562 2 54 ILE HB 2 55 TRP H 4.500 . 4.950 4.345 4.058 4.516 . 0 0 "[ . 1 . 2]" 2
1563 2 42 LEU QD 2 55 TRP H 4.500 2.300 4.900 4.212 3.756 4.502 . 0 0 "[ . 1 . 2]" 2
1564 2 12 ILE MG 2 56 LEU H 5.000 . 5.500 4.277 3.854 4.897 . 0 0 "[ . 1 . 2]" 2
1565 2 59 ASN HA 2 60 ASP H 3.500 . 3.850 2.191 2.101 2.298 . 0 0 "[ . 1 . 2]" 2
1566 2 61 ASP H 2 64 LEU HB2 4.000 . 4.400 2.484 1.766 3.511 0.034 5 0 "[ . 1 . 2]" 2
1567 2 61 ASP H 2 63 ARG H 4.500 . 4.950 5.042 4.802 5.164 0.214 14 0 "[ . 1 . 2]" 2
1568 2 62 GLN QB 2 63 ARG H 4.500 . 4.950 2.666 2.489 2.812 . 0 0 "[ . 1 . 2]" 2
1569 2 64 LEU H 2 67 MET HB2 5.500 . 6.350 5.304 4.996 5.807 . 0 0 "[ . 1 . 2]" 2
1570 2 64 LEU H 2 65 GLU H 3.000 . 3.300 2.833 2.608 3.215 . 0 0 "[ . 1 . 2]" 2
1571 2 66 GLN H 2 67 MET H 3.000 . 3.300 2.575 2.491 2.655 . 0 0 "[ . 1 . 2]" 2
1572 2 70 GLN H 2 71 ILE MG 4.500 . 4.950 3.877 3.624 4.065 . 0 0 "[ . 1 . 2]" 2
1573 2 70 GLN HA 2 72 ASP H 4.500 . 4.950 4.390 4.273 4.652 . 0 0 "[ . 1 . 2]" 2
1574 2 89 MET HA 2 92 LYS H 3.800 . 4.180 3.491 3.260 3.930 . 0 0 "[ . 1 . 2]" 2
1575 2 91 ASN HA 2 94 ALA H 3.800 . 4.180 3.659 3.283 3.964 . 0 0 "[ . 1 . 2]" 2
1576 2 93 ILE HG12 2 97 PHE H 5.500 . 6.050 5.621 4.951 6.249 0.199 17 0 "[ . 1 . 2]" 2
1577 2 44 LEU MD2 2 97 PHE H 6.500 . 7.150 3.822 2.673 5.597 . 0 0 "[ . 1 . 2]" 2
1578 1 41 ILE H 2 43 CYS H 3.800 . 4.180 2.947 2.661 3.332 . 0 0 "[ . 1 . 2]" 2
1579 1 43 CYS H 2 41 ILE H 3.800 . 4.180 2.935 2.632 3.286 . 0 0 "[ . 1 . 2]" 2
1580 1 41 ILE MD 2 42 LEU H 5.500 . 6.050 5.992 5.788 6.181 0.131 7 0 "[ . 1 . 2]" 2
1581 1 42 LEU H 2 41 ILE MD 5.500 . 6.050 6.005 5.795 6.201 0.151 7 0 "[ . 1 . 2]" 2
1582 1 41 ILE MG 2 43 CYS H 5.500 . 6.050 3.769 3.445 4.580 . 0 0 "[ . 1 . 2]" 2
1583 1 43 CYS H 2 41 ILE MG 5.500 . 6.050 3.764 3.437 4.585 . 0 0 "[ . 1 . 2]" 2
1584 1 29 GLY H 1 32 ALA MB 5.500 . 6.050 4.622 4.369 4.769 . 0 0 "[ . 1 . 2]" 2
1585 2 29 GLY H 2 32 ALA MB 5.500 . 6.050 4.622 4.367 4.779 . 0 0 "[ . 1 . 2]" 2
1586 1 22 GLY HA2 2 32 ALA MB 4.500 . 4.950 2.616 2.081 3.515 . 0 0 "[ . 1 . 2]" 2
1587 1 32 ALA MB 2 22 GLY HA2 4.500 . 4.950 2.634 2.103 3.301 . 0 0 "[ . 1 . 2]" 2
1588 1 22 GLY HA3 2 32 ALA MB 4.500 . 4.950 2.898 2.142 3.735 . 0 0 "[ . 1 . 2]" 2
1589 1 32 ALA MB 2 22 GLY HA3 4.500 . 4.950 2.906 2.054 3.738 . 0 0 "[ . 1 . 2]" 2
1590 1 25 THR MG 2 28 CYS H 4.500 . 4.950 4.813 4.312 5.027 0.077 15 0 "[ . 1 . 2]" 2
1591 1 28 CYS H 2 25 THR MG 4.500 . 4.950 4.820 4.316 5.061 0.111 15 0 "[ . 1 . 2]" 2
1592 1 25 THR MG 2 28 CYS HA 5.000 . 5.500 5.076 4.009 5.566 0.066 4 0 "[ . 1 . 2]" 2
1593 1 28 CYS HA 2 25 THR MG 5.000 . 5.500 5.060 4.043 5.546 0.046 10 0 "[ . 1 . 2]" 2
1594 1 25 THR MG 2 32 ALA H 5.500 . 6.050 5.509 4.143 6.079 0.029 10 0 "[ . 1 . 2]" 2
1595 1 32 ALA H 2 25 THR MG 5.500 . 6.050 5.490 4.138 6.076 0.026 10 0 "[ . 1 . 2]" 2
1596 1 25 THR MG 2 32 ALA MB 4.500 . 4.950 3.696 2.634 4.329 . 0 0 "[ . 1 . 2]" 2
1597 1 32 ALA MB 2 25 THR MG 4.500 . 4.950 3.688 2.611 4.323 . 0 0 "[ . 1 . 2]" 2
1598 1 32 ALA HA 2 22 GLY HA3 5.500 . 6.050 5.022 3.825 6.084 0.034 16 0 "[ . 1 . 2]" 2
1599 1 22 GLY HA3 2 32 ALA HA 5.500 . 6.050 5.017 3.894 6.086 0.036 16 0 "[ . 1 . 2]" 2
1600 1 38 VAL MG2 2 24 MET HA 6.000 . 6.600 6.371 5.944 6.692 0.092 8 0 "[ . 1 . 2]" 2
1601 1 24 MET HA 2 38 VAL MG2 6.000 . 6.600 6.371 5.912 6.698 0.098 2 0 "[ . 1 . 2]" 2
1602 1 38 VAL MG2 2 24 MET HB2 4.500 . 4.950 4.431 3.918 5.004 0.054 10 0 "[ . 1 . 2]" 2
1603 1 24 MET HB2 2 38 VAL MG2 4.500 . 4.950 4.436 3.913 4.997 0.047 10 0 "[ . 1 . 2]" 2
1604 1 38 VAL MG1 2 24 MET HA 6.500 . 7.150 6.950 6.483 7.215 0.065 3 0 "[ . 1 . 2]" 2
1605 1 24 MET HA 2 38 VAL MG1 6.500 . 7.150 6.950 6.480 7.199 0.049 3 0 "[ . 1 . 2]" 2
1606 1 41 ILE MG 2 43 CYS HB3 4.000 . 4.400 3.822 3.567 4.020 . 0 0 "[ . 1 . 2]" 2
1607 1 43 CYS HB3 2 41 ILE MG 4.000 . 4.400 3.818 3.559 4.013 . 0 0 "[ . 1 . 2]" 2
1608 1 41 ILE MG 2 43 CYS HB2 4.500 . 4.950 4.042 3.824 4.399 . 0 0 "[ . 1 . 2]" 2
1609 1 43 CYS HB2 2 41 ILE MG 4.500 . 4.950 4.042 3.825 4.386 . 0 0 "[ . 1 . 2]" 2
1610 1 41 ILE MD 2 43 CYS HB3 4.000 . 4.400 3.369 3.045 3.640 . 0 0 "[ . 1 . 2]" 2
1611 1 43 CYS HB3 2 41 ILE MD 4.000 . 4.400 3.362 3.029 3.624 . 0 0 "[ . 1 . 2]" 2
1612 1 41 ILE MD 2 43 CYS HB2 4.000 . 4.400 2.991 2.565 3.491 . 0 0 "[ . 1 . 2]" 2
1613 1 43 CYS HB2 2 41 ILE MD 4.000 . 4.400 2.983 2.602 3.455 . 0 0 "[ . 1 . 2]" 2
1614 1 41 ILE MD 2 43 CYS H 5.500 . 6.050 4.691 4.232 5.612 . 0 0 "[ . 1 . 2]" 2
1615 1 43 CYS H 2 41 ILE MD 5.500 . 6.050 4.683 4.270 5.633 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 142
_Distance_constraint_stats_list.Viol_count 260
_Distance_constraint_stats_list.Viol_total 279.294
_Distance_constraint_stats_list.Viol_max 0.310
_Distance_constraint_stats_list.Viol_rms 0.0195
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0537
_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 11 VAL 2.055 0.162 19 0 "[ . 1 . 2]"
1 12 ILE 0.220 0.095 4 0 "[ . 1 . 2]"
1 13 LEU 0.188 0.083 8 0 "[ . 1 . 2]"
1 14 GLU 0.405 0.103 10 0 "[ . 1 . 2]"
1 15 LEU 0.132 0.094 4 0 "[ . 1 . 2]"
1 16 THR 0.084 0.066 15 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 MET 0.597 0.079 14 0 "[ . 1 . 2]"
1 25 THR 0.213 0.093 15 0 "[ . 1 . 2]"
1 26 HIS 0.631 0.104 9 0 "[ . 1 . 2]"
1 27 VAL 2.807 0.157 3 0 "[ . 1 . 2]"
1 28 CYS 0.679 0.083 14 0 "[ . 1 . 2]"
1 29 GLY 0.213 0.093 15 0 "[ . 1 . 2]"
1 30 LEU 0.631 0.104 9 0 "[ . 1 . 2]"
1 31 PHE 2.807 0.157 3 0 "[ . 1 . 2]"
1 32 ALA 0.083 0.083 14 0 "[ . 1 . 2]"
1 40 GLY 1.557 0.129 6 0 "[ . 1 . 2]"
1 41 ILE 0.266 0.063 8 0 "[ . 1 . 2]"
1 42 LEU 0.637 0.096 8 0 "[ . 1 . 2]"
1 43 CYS 0.200 0.064 8 0 "[ . 1 . 2]"
1 44 LEU 0.434 0.099 10 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 HIS 0.434 0.099 10 0 "[ . 1 . 2]"
1 54 ILE 0.132 0.094 4 0 "[ . 1 . 2]"
1 55 TRP 0.637 0.096 8 0 "[ . 1 . 2]"
1 56 LEU 0.188 0.083 8 0 "[ . 1 . 2]"
1 57 LEU 1.557 0.129 6 0 "[ . 1 . 2]"
1 58 VAL 2.055 0.162 19 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLN 0.150 0.052 8 0 "[ . 1 . 2]"
1 67 MET 0.034 0.021 19 0 "[ . 1 . 2]"
1 68 ILE 0.397 0.061 2 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.150 0.052 8 0 "[ . 1 . 2]"
1 71 ILE 0.034 0.021 19 0 "[ . 1 . 2]"
1 72 ASP 0.397 0.061 2 0 "[ . 1 . 2]"
1 79 LYS 0.084 0.066 15 0 "[ . 1 . 2]"
1 81 GLN 0.405 0.103 10 0 "[ . 1 . 2]"
1 83 ASN 0.220 0.095 4 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 MET 1.430 0.310 15 0 "[ . 1 . 2]"
1 90 PHE 1.142 0.148 2 0 "[ . 1 . 2]"
1 91 ASN 0.303 0.070 5 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 1.430 0.310 15 0 "[ . 1 . 2]"
1 94 ALA 1.142 0.148 2 0 "[ . 1 . 2]"
1 95 VAL 0.303 0.070 5 0 "[ . 1 . 2]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ILE 0.200 0.064 8 0 "[ . 1 . 2]"
2 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 CYS 0.266 0.063 8 0 "[ . 1 . 2]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 93 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 95 VAL 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 24 MET O 1 28 CYS H 2.070 . 2.300 2.293 2.049 2.379 0.079 14 0 "[ . 1 . 2]" 3
2 1 24 MET O 1 28 CYS N 2.970 . 3.300 3.239 3.010 3.352 0.052 14 0 "[ . 1 . 2]" 3
3 1 25 THR O 1 29 GLY H 2.070 . 2.300 2.224 1.988 2.393 0.093 15 0 "[ . 1 . 2]" 3
4 1 25 THR O 1 29 GLY N 2.970 . 3.300 3.010 2.798 3.242 . 0 0 "[ . 1 . 2]" 3
5 1 26 HIS O 1 30 LEU H 2.070 . 2.300 2.266 2.064 2.404 0.104 9 0 "[ . 1 . 2]" 3
6 1 26 HIS O 1 30 LEU N 2.970 . 3.300 3.152 2.847 3.311 0.011 8 0 "[ . 1 . 2]" 3
7 1 27 VAL O 1 31 PHE H 2.070 . 2.300 2.387 2.205 2.457 0.157 3 0 "[ . 1 . 2]" 3
8 1 27 VAL O 1 31 PHE N 2.970 . 3.300 3.338 3.088 3.417 0.117 2 0 "[ . 1 . 2]" 3
9 1 28 CYS O 1 32 ALA H 2.070 . 2.300 2.194 2.075 2.383 0.083 14 0 "[ . 1 . 2]" 3
10 1 28 CYS O 1 32 ALA N 2.970 . 3.300 3.057 2.960 3.265 . 0 0 "[ . 1 . 2]" 3
11 1 64 LEU O 1 68 ILE H 2.070 . 2.300 2.040 1.938 2.184 . 0 0 "[ . 1 . 2]" 3
12 1 64 LEU O 1 68 ILE N 2.970 . 3.300 2.912 2.805 3.103 . 0 0 "[ . 1 . 2]" 3
13 1 65 GLU O 1 69 SER H 2.070 . 2.300 2.122 2.008 2.274 . 0 0 "[ . 1 . 2]" 3
14 1 65 GLU O 1 69 SER N 2.970 . 3.300 2.999 2.844 3.164 . 0 0 "[ . 1 . 2]" 3
15 1 66 GLN O 1 70 GLN H 2.070 . 2.300 2.202 2.068 2.352 0.052 8 0 "[ . 1 . 2]" 3
16 1 66 GLN O 1 70 GLN N 2.970 . 3.300 2.995 2.910 3.146 . 0 0 "[ . 1 . 2]" 3
17 1 67 MET O 1 71 ILE H 2.070 . 2.300 2.090 1.939 2.321 0.021 19 0 "[ . 1 . 2]" 3
18 1 67 MET O 1 71 ILE N 2.970 . 3.300 3.027 2.889 3.273 . 0 0 "[ . 1 . 2]" 3
19 1 68 ILE O 1 72 ASP H 2.070 . 2.300 2.246 1.971 2.361 0.061 2 0 "[ . 1 . 2]" 3
20 1 68 ILE O 1 72 ASP N 2.970 . 3.300 3.101 2.779 3.313 0.013 20 0 "[ . 1 . 2]" 3
21 1 88 THR O 1 92 LYS H 2.070 . 2.300 2.062 1.957 2.231 . 0 0 "[ . 1 . 2]" 3
22 1 88 THR O 1 92 LYS N 2.970 . 3.300 2.937 2.756 3.096 . 0 0 "[ . 1 . 2]" 3
23 1 89 MET O 1 93 ILE H 2.070 . 2.300 2.338 2.127 2.610 0.310 15 0 "[ . 1 . 2]" 3
24 1 90 PHE O 1 94 ALA H 2.070 . 2.300 2.348 2.213 2.448 0.148 2 0 "[ . 1 . 2]" 3
25 1 90 PHE O 1 94 ALA N 2.970 . 3.300 3.211 3.052 3.364 0.064 2 0 "[ . 1 . 2]" 3
26 1 91 ASN O 1 95 VAL H 2.070 . 2.300 2.188 2.025 2.370 0.070 5 0 "[ . 1 . 2]" 3
27 1 91 ASN O 1 95 VAL N 2.970 . 3.300 3.088 2.894 3.286 . 0 0 "[ . 1 . 2]" 3
28 1 11 VAL O 1 58 VAL H 2.070 . 2.300 2.376 2.326 2.462 0.162 19 0 "[ . 1 . 2]" 3
29 1 11 VAL O 1 58 VAL N 2.970 . 3.300 3.318 3.253 3.454 0.154 19 0 "[ . 1 . 2]" 3
30 1 13 LEU O 1 56 LEU H 2.070 . 2.300 2.038 1.964 2.383 0.083 8 0 "[ . 1 . 2]" 3
31 1 13 LEU O 1 56 LEU N 2.970 . 3.300 2.990 2.904 3.287 . 0 0 "[ . 1 . 2]" 3
32 1 12 ILE O 1 83 ASN H 2.070 . 2.300 2.139 1.958 2.385 0.085 12 0 "[ . 1 . 2]" 3
33 1 12 ILE O 1 83 ASN N 2.970 . 3.300 3.010 2.878 3.270 . 0 0 "[ . 1 . 2]" 3
34 1 14 GLU O 1 81 GLN H 2.070 . 2.300 2.156 1.916 2.380 0.080 9 0 "[ . 1 . 2]" 3
35 1 14 GLU O 1 81 GLN N 2.970 . 3.300 2.908 2.621 3.232 . 0 0 "[ . 1 . 2]" 3
36 1 15 LEU O 1 54 ILE H 2.070 . 2.300 2.046 1.926 2.261 . 0 0 "[ . 1 . 2]" 3
37 1 15 LEU O 1 54 ILE N 2.970 . 3.300 2.996 2.895 3.185 . 0 0 "[ . 1 . 2]" 3
38 1 16 THR O 1 79 LYS H 2.070 . 2.300 2.162 2.005 2.366 0.066 15 0 "[ . 1 . 2]" 3
39 1 16 THR O 1 79 LYS N 2.970 . 3.300 3.114 2.949 3.274 . 0 0 "[ . 1 . 2]" 3
40 1 17 VAL O 1 52 SER H 2.070 . 2.300 1.988 1.901 2.167 . 0 0 "[ . 1 . 2]" 3
41 1 17 VAL O 1 52 SER N 2.970 . 3.300 2.801 2.652 2.922 . 0 0 "[ . 1 . 2]" 3
42 1 40 GLY O 1 57 LEU H 2.070 . 2.300 1.918 1.862 1.999 . 0 0 "[ . 1 . 2]" 3
43 1 40 GLY O 1 57 LEU N 2.970 . 3.300 2.849 2.788 2.935 . 0 0 "[ . 1 . 2]" 3
44 1 42 LEU O 1 55 TRP H 2.070 . 2.300 2.003 1.904 2.182 . 0 0 "[ . 1 . 2]" 3
45 1 42 LEU O 1 55 TRP N 2.970 . 3.300 2.890 2.713 2.981 . 0 0 "[ . 1 . 2]" 3
46 1 44 LEU O 1 53 HIS H 2.070 . 2.300 2.204 2.002 2.381 0.081 15 0 "[ . 1 . 2]" 3
47 1 44 LEU O 1 53 HIS N 2.970 . 3.300 3.114 2.946 3.287 . 0 0 "[ . 1 . 2]" 3
48 1 17 VAL H 1 52 SER O 2.070 . 2.300 2.049 1.955 2.294 . 0 0 "[ . 1 . 2]" 3
49 1 17 VAL N 1 52 SER O 2.970 . 3.300 2.931 2.788 3.205 . 0 0 "[ . 1 . 2]" 3
50 1 44 LEU H 1 53 HIS O 2.070 . 2.300 2.090 1.987 2.399 0.099 10 0 "[ . 1 . 2]" 3
51 1 44 LEU N 1 53 HIS O 2.970 . 3.300 3.029 2.922 3.337 0.037 10 0 "[ . 1 . 2]" 3
52 1 15 LEU H 1 54 ILE O 2.070 . 2.300 2.118 1.990 2.394 0.094 4 0 "[ . 1 . 2]" 3
53 1 15 LEU N 1 54 ILE O 2.970 . 3.300 3.043 2.886 3.310 0.010 6 0 "[ . 1 . 2]" 3
54 1 42 LEU H 1 55 TRP O 2.070 . 2.300 2.296 2.122 2.396 0.096 8 0 "[ . 1 . 2]" 3
55 1 42 LEU N 1 55 TRP O 2.970 . 3.300 3.088 2.939 3.219 . 0 0 "[ . 1 . 2]" 3
56 1 13 LEU H 1 56 LEU O 2.070 . 2.300 2.093 1.985 2.355 0.055 19 0 "[ . 1 . 2]" 3
57 1 13 LEU N 1 56 LEU O 2.970 . 3.300 3.058 2.942 3.310 0.010 3 0 "[ . 1 . 2]" 3
58 1 40 GLY H 1 57 LEU O 2.070 . 2.300 2.350 2.224 2.429 0.129 6 0 "[ . 1 . 2]" 3
59 1 40 GLY N 1 57 LEU O 2.970 . 3.300 3.311 3.186 3.379 0.079 19 0 "[ . 1 . 2]" 3
60 1 11 VAL H 1 58 VAL O 2.070 . 2.300 1.928 1.877 1.990 . 0 0 "[ . 1 . 2]" 3
61 1 11 VAL N 1 58 VAL O 2.970 . 3.300 2.788 2.698 2.849 . 0 0 "[ . 1 . 2]" 3
62 1 16 THR H 1 79 LYS O 2.070 . 2.300 2.061 1.965 2.233 . 0 0 "[ . 1 . 2]" 3
63 1 16 THR N 1 79 LYS O 2.970 . 3.300 2.863 2.757 3.012 . 0 0 "[ . 1 . 2]" 3
64 1 14 GLU H 1 81 GLN O 2.070 . 2.300 2.198 2.033 2.403 0.103 10 0 "[ . 1 . 2]" 3
65 1 14 GLU N 1 81 GLN O 2.970 . 3.300 2.935 2.734 3.153 . 0 0 "[ . 1 . 2]" 3
66 1 12 ILE H 1 83 ASN O 2.070 . 2.300 2.033 1.896 2.395 0.095 4 0 "[ . 1 . 2]" 3
67 1 12 ILE N 1 83 ASN O 2.970 . 3.300 2.892 2.686 3.310 0.010 4 0 "[ . 1 . 2]" 3
68 1 41 ILE O 2 43 CYS H 2.070 . 2.300 2.039 1.961 2.114 . 0 0 "[ . 1 . 2]" 3
69 1 41 ILE O 2 43 CYS N 2.970 . 3.300 2.857 2.734 2.983 . 0 0 "[ . 1 . 2]" 3
70 1 41 ILE H 2 43 CYS O 2.070 . 2.300 2.274 1.988 2.363 0.063 8 0 "[ . 1 . 2]" 3
71 1 41 ILE N 2 43 CYS O 2.970 . 3.300 3.189 2.877 3.317 0.017 19 0 "[ . 1 . 2]" 3
72 1 43 CYS O 2 41 ILE H 2.070 . 2.300 2.260 2.064 2.364 0.064 8 0 "[ . 1 . 2]" 3
73 1 43 CYS O 2 41 ILE N 2.970 . 3.300 3.175 2.967 3.299 . 0 0 "[ . 1 . 2]" 3
74 1 43 CYS H 2 41 ILE O 2.070 . 2.300 2.039 1.974 2.116 . 0 0 "[ . 1 . 2]" 3
75 1 43 CYS N 2 41 ILE O 2.970 . 3.300 2.853 2.728 2.980 . 0 0 "[ . 1 . 2]" 3
76 2 24 MET O 2 28 CYS H 2.070 . 4.370 2.315 2.024 2.468 . 0 0 "[ . 1 . 2]" 3
77 2 24 MET O 2 28 CYS N 2.970 . 6.270 3.252 2.984 3.406 . 0 0 "[ . 1 . 2]" 3
78 2 25 THR O 2 29 GLY H 2.070 . 4.370 2.251 2.008 2.595 . 0 0 "[ . 1 . 2]" 3
79 2 25 THR O 2 29 GLY N 2.970 . 6.270 3.033 2.786 3.370 . 0 0 "[ . 1 . 2]" 3
80 2 26 HIS O 2 30 LEU H 2.070 . 4.370 2.314 2.075 2.548 . 0 0 "[ . 1 . 2]" 3
81 2 26 HIS O 2 30 LEU N 2.970 . 6.270 3.192 2.866 3.425 . 0 0 "[ . 1 . 2]" 3
82 2 27 VAL O 2 31 PHE H 2.070 . 4.370 2.512 2.197 2.718 . 0 0 "[ . 1 . 2]" 3
83 2 27 VAL O 2 31 PHE N 2.970 . 6.270 3.446 3.082 3.680 . 0 0 "[ . 1 . 2]" 3
84 2 28 CYS O 2 32 ALA H 2.070 . 4.370 2.208 2.068 2.596 . 0 0 "[ . 1 . 2]" 3
85 2 28 CYS O 2 32 ALA N 2.970 . 6.270 3.072 2.954 3.445 . 0 0 "[ . 1 . 2]" 3
86 2 64 LEU O 2 68 ILE H 2.070 . 4.370 2.038 1.939 2.175 . 0 0 "[ . 1 . 2]" 3
87 2 64 LEU O 2 68 ILE N 2.970 . 6.270 2.909 2.805 3.100 . 0 0 "[ . 1 . 2]" 3
88 2 65 GLU O 2 69 SER H 2.070 . 4.370 2.125 2.019 2.279 . 0 0 "[ . 1 . 2]" 3
89 2 65 GLU O 2 69 SER N 2.970 . 6.270 2.999 2.861 3.154 . 0 0 "[ . 1 . 2]" 3
90 2 66 GLN O 2 70 GLN H 2.070 . 4.370 2.216 2.049 2.417 . 0 0 "[ . 1 . 2]" 3
91 2 66 GLN O 2 70 GLN N 2.970 . 6.270 3.006 2.916 3.189 . 0 0 "[ . 1 . 2]" 3
92 2 67 MET O 2 71 ILE H 2.070 . 4.370 2.093 1.942 2.342 . 0 0 "[ . 1 . 2]" 3
93 2 67 MET O 2 71 ILE N 2.970 . 6.270 3.030 2.888 3.293 . 0 0 "[ . 1 . 2]" 3
94 2 68 ILE O 2 72 ASP H 2.070 . 4.370 2.272 1.959 2.439 . 0 0 "[ . 1 . 2]" 3
95 2 68 ILE O 2 72 ASP N 2.970 . 6.270 3.121 2.776 3.348 . 0 0 "[ . 1 . 2]" 3
96 2 88 THR O 2 92 LYS H 2.070 . 4.370 2.108 1.998 2.292 . 0 0 "[ . 1 . 2]" 3
97 2 88 THR O 2 92 LYS N 2.970 . 6.270 2.960 2.755 3.123 . 0 0 "[ . 1 . 2]" 3
98 2 89 MET O 2 93 ILE H 2.070 . 4.370 2.402 2.126 2.846 . 0 0 "[ . 1 . 2]" 3
99 2 90 PHE O 2 94 ALA H 2.070 . 4.370 2.438 2.222 2.716 . 0 0 "[ . 1 . 2]" 3
100 2 90 PHE O 2 94 ALA N 2.970 . 6.270 3.279 3.057 3.590 . 0 0 "[ . 1 . 2]" 3
101 2 91 ASN O 2 95 VAL H 2.070 . 4.370 2.209 2.026 2.458 . 0 0 "[ . 1 . 2]" 3
102 2 91 ASN O 2 95 VAL N 2.970 . 6.270 3.105 2.898 3.357 . 0 0 "[ . 1 . 2]" 3
103 2 11 VAL O 2 58 VAL H 2.070 . 4.370 2.432 2.319 2.666 . 0 0 "[ . 1 . 2]" 3
104 2 11 VAL O 2 58 VAL N 2.970 . 6.270 3.364 3.255 3.644 . 0 0 "[ . 1 . 2]" 3
105 2 13 LEU O 2 56 LEU H 2.070 . 4.370 2.039 1.959 2.436 . 0 0 "[ . 1 . 2]" 3
106 2 13 LEU O 2 56 LEU N 2.970 . 6.270 2.990 2.908 3.329 . 0 0 "[ . 1 . 2]" 3
107 2 12 ILE O 2 83 ASN H 2.070 . 4.370 2.145 1.956 2.521 . 0 0 "[ . 1 . 2]" 3
108 2 12 ILE O 2 83 ASN N 2.970 . 6.270 3.013 2.865 3.269 . 0 0 "[ . 1 . 2]" 3
109 2 14 GLU O 2 81 GLN H 2.070 . 4.370 2.166 1.911 2.528 . 0 0 "[ . 1 . 2]" 3
110 2 14 GLU O 2 81 GLN N 2.970 . 6.270 2.913 2.624 3.319 . 0 0 "[ . 1 . 2]" 3
111 2 15 LEU O 2 54 ILE H 2.070 . 4.370 2.046 1.926 2.273 . 0 0 "[ . 1 . 2]" 3
112 2 15 LEU O 2 54 ILE N 2.970 . 6.270 2.996 2.892 3.196 . 0 0 "[ . 1 . 2]" 3
113 2 16 THR O 2 79 LYS H 2.070 . 4.370 2.166 2.025 2.432 . 0 0 "[ . 1 . 2]" 3
114 2 16 THR O 2 79 LYS N 2.970 . 6.270 3.117 2.963 3.329 . 0 0 "[ . 1 . 2]" 3
115 2 17 VAL O 2 52 SER H 2.070 . 4.370 1.986 1.905 2.166 . 0 0 "[ . 1 . 2]" 3
116 2 17 VAL O 2 52 SER N 2.970 . 6.270 2.800 2.650 2.920 . 0 0 "[ . 1 . 2]" 3
117 2 40 GLY O 2 57 LEU H 2.070 . 4.370 1.924 1.869 2.016 . 0 0 "[ . 1 . 2]" 3
118 2 40 GLY O 2 57 LEU N 2.970 . 6.270 2.856 2.806 2.936 . 0 0 "[ . 1 . 2]" 3
119 2 42 LEU O 2 55 TRP H 2.070 . 4.370 2.006 1.902 2.175 . 0 0 "[ . 1 . 2]" 3
120 2 42 LEU O 2 55 TRP N 2.970 . 6.270 2.893 2.711 2.983 . 0 0 "[ . 1 . 2]" 3
121 2 44 LEU O 2 53 HIS H 2.070 . 4.370 2.224 2.006 2.473 . 0 0 "[ . 1 . 2]" 3
122 2 44 LEU O 2 53 HIS N 2.970 . 6.270 3.129 2.950 3.352 . 0 0 "[ . 1 . 2]" 3
123 2 17 VAL H 2 52 SER O 2.070 . 4.370 2.048 1.957 2.293 . 0 0 "[ . 1 . 2]" 3
124 2 17 VAL N 2 52 SER O 2.970 . 6.270 2.929 2.772 3.202 . 0 0 "[ . 1 . 2]" 3
125 2 44 LEU H 2 53 HIS O 2.070 . 4.370 2.101 1.998 2.530 . 0 0 "[ . 1 . 2]" 3
126 2 44 LEU N 2 53 HIS O 2.970 . 6.270 3.040 2.917 3.459 . 0 0 "[ . 1 . 2]" 3
127 2 15 LEU H 2 54 ILE O 2.070 . 4.370 2.121 1.988 2.468 . 0 0 "[ . 1 . 2]" 3
128 2 15 LEU N 2 54 ILE O 2.970 . 6.270 3.045 2.885 3.318 . 0 0 "[ . 1 . 2]" 3
129 2 42 LEU H 2 55 TRP O 2.070 . 4.370 2.344 2.125 2.549 . 0 0 "[ . 1 . 2]" 3
130 2 42 LEU N 2 55 TRP O 2.970 . 6.270 3.120 2.943 3.319 . 0 0 "[ . 1 . 2]" 3
131 2 13 LEU H 2 56 LEU O 2.070 . 4.370 2.102 1.984 2.490 . 0 0 "[ . 1 . 2]" 3
132 2 13 LEU N 2 56 LEU O 2.970 . 6.270 3.066 2.942 3.431 . 0 0 "[ . 1 . 2]" 3
133 2 40 GLY H 2 57 LEU O 2.070 . 4.370 2.403 2.215 2.571 . 0 0 "[ . 1 . 2]" 3
134 2 40 GLY N 2 57 LEU O 2.970 . 6.270 3.357 3.180 3.504 . 0 0 "[ . 1 . 2]" 3
135 2 11 VAL H 2 58 VAL O 2.070 . 4.370 1.933 1.871 1.996 . 0 0 "[ . 1 . 2]" 3
136 2 11 VAL N 2 58 VAL O 2.970 . 6.270 2.793 2.690 2.856 . 0 0 "[ . 1 . 2]" 3
137 2 16 THR H 2 79 LYS O 2.070 . 4.370 2.059 1.972 2.226 . 0 0 "[ . 1 . 2]" 3
138 2 16 THR N 2 79 LYS O 2.970 . 6.270 2.861 2.765 3.024 . 0 0 "[ . 1 . 2]" 3
139 2 14 GLU H 2 81 GLN O 2.070 . 4.370 2.215 2.030 2.559 . 0 0 "[ . 1 . 2]" 3
140 2 14 GLU N 2 81 GLN O 2.970 . 6.270 2.947 2.726 3.176 . 0 0 "[ . 1 . 2]" 3
141 2 12 ILE H 2 83 ASN O 2.070 . 4.370 2.028 1.880 2.476 . 0 0 "[ . 1 . 2]" 3
142 2 12 ILE N 2 83 ASN O 2.970 . 6.270 2.883 2.684 3.384 . 0 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 10:34:38 AM GMT (wattos1)