NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
381062 |
1ity   |
5317 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ity
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 703
_Distance_constraint_stats_list.Viol_count 185
_Distance_constraint_stats_list.Viol_total 102.838
_Distance_constraint_stats_list.Viol_max 0.217
_Distance_constraint_stats_list.Viol_rms 0.0037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0222
_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 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 ALA 0.259 0.120 4 0 "[ . 1 . 2 .]"
1 13 TRP 1.204 0.120 4 0 "[ . 1 . 2 .]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 TRP 0.001 0.001 5 0 "[ . 1 . 2 .]"
1 16 GLU 0.020 0.020 6 0 "[ . 1 . 2 .]"
1 17 GLU 0.370 0.168 23 0 "[ . 1 . 2 .]"
1 18 ASP 0.361 0.168 23 0 "[ . 1 . 2 .]"
1 19 LYS 0.087 0.044 7 0 "[ . 1 . 2 .]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 LEU 0.625 0.058 25 0 "[ . 1 . 2 .]"
1 22 ARG 0.032 0.022 20 0 "[ . 1 . 2 .]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 LYS 0.038 0.020 21 0 "[ . 1 . 2 .]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 GLY 0.038 0.020 21 0 "[ . 1 . 2 .]"
1 30 GLU 0.055 0.017 7 0 "[ . 1 . 2 .]"
1 31 GLY 0.017 0.017 14 0 "[ . 1 . 2 .]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 TRP 0.162 0.020 20 0 "[ . 1 . 2 .]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 ILE 0.039 0.016 14 0 "[ . 1 . 2 .]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 LEU 0.253 0.028 10 0 "[ . 1 . 2 .]"
1 39 HIS 0.206 0.028 10 0 "[ . 1 . 2 .]"
1 40 TYR 0.086 0.019 23 0 "[ . 1 . 2 .]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 PHE 0.601 0.058 25 0 "[ . 1 . 2 .]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 ARG 0.033 0.021 4 0 "[ . 1 . 2 .]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 VAL 0.016 0.016 12 0 "[ . 1 . 2 .]"
1 49 MET 0.016 0.016 12 0 "[ . 1 . 2 .]"
1 50 LEU 0.066 0.029 20 0 "[ . 1 . 2 .]"
1 51 LYS 0.027 0.020 20 0 "[ . 1 . 2 .]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 ARG 0.158 0.060 22 0 "[ . 1 . 2 .]"
1 54 TRP 0.466 0.040 13 0 "[ . 1 . 2 .]"
1 55 ARG 0.016 0.011 4 0 "[ . 1 . 2 .]"
1 56 THR 0.120 0.060 22 0 "[ . 1 . 2 .]"
1 57 MET 0.149 0.035 1 0 "[ . 1 . 2 .]"
1 58 LYS 0.231 0.038 7 0 "[ . 1 . 2 .]"
1 59 LYS 0.011 0.011 4 0 "[ . 1 . 2 .]"
1 60 LEU 0.159 0.033 21 0 "[ . 1 . 2 .]"
1 61 LYS 0.183 0.033 21 0 "[ . 1 . 2 .]"
1 62 LEU 0.184 0.035 1 0 "[ . 1 . 2 .]"
1 63 ILE 0.506 0.217 6 0 "[ . 1 . 2 .]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 68 GLU 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 13 TRP H 1 13 TRP HB3 . . 4.000 3.731 3.400 4.120 0.120 11 0 "[ . 1 . 2 .]" 1
2 1 13 TRP H 1 13 TRP HD1 . . 4.000 3.300 2.042 4.017 0.017 19 0 "[ . 1 . 2 .]" 1
3 1 13 TRP H 1 13 TRP HE3 . . 6.000 5.491 4.566 6.031 0.031 12 0 "[ . 1 . 2 .]" 1
4 1 13 TRP HA 1 13 TRP HD1 . . 5.000 3.637 2.763 4.307 . 0 0 "[ . 1 . 2 .]" 1
5 1 13 TRP HA 1 13 TRP HE3 . . 5.000 3.640 2.632 4.775 . 0 0 "[ . 1 . 2 .]" 1
6 1 14 LEU H 1 14 LEU HG . . 5.000 3.003 2.029 4.544 . 0 0 "[ . 1 . 2 .]" 1
7 1 15 TRP H 1 15 TRP HD1 . . 5.000 2.378 2.036 2.520 . 0 0 "[ . 1 . 2 .]" 1
8 1 15 TRP H 1 15 TRP HE1 . . 5.000 4.374 4.001 4.597 . 0 0 "[ . 1 . 2 .]" 1
9 1 15 TRP HA 1 15 TRP HD1 . . 5.000 4.388 4.188 4.491 . 0 0 "[ . 1 . 2 .]" 1
10 1 15 TRP HA 1 15 TRP HE3 . . 5.000 4.436 4.290 4.681 . 0 0 "[ . 1 . 2 .]" 1
11 1 17 GLU H 1 17 GLU HB2 . . 3.000 2.527 1.970 2.727 . 0 0 "[ . 1 . 2 .]" 1
12 1 17 GLU HA 1 17 GLU HB3 . . 3.000 2.474 2.350 3.008 0.008 23 0 "[ . 1 . 2 .]" 1
13 1 17 GLU HA 1 17 GLU QG . . 3.600 2.512 2.288 3.126 . 0 0 "[ . 1 . 2 .]" 1
14 1 18 ASP H 1 18 ASP HB2 . . 3.000 2.345 2.046 2.525 . 0 0 "[ . 1 . 2 .]" 1
15 1 18 ASP HA 1 18 ASP HB3 . . 3.000 2.608 2.480 2.934 . 0 0 "[ . 1 . 2 .]" 1
16 1 19 LYS HA 1 19 LYS QE . . 6.000 4.417 2.530 5.126 . 0 0 "[ . 1 . 2 .]" 1
17 1 21 LEU H 1 21 LEU HB3 . . 4.000 2.426 2.212 2.605 . 0 0 "[ . 1 . 2 .]" 1
18 1 21 LEU H 1 21 LEU HB2 . . 4.000 2.514 2.331 2.736 . 0 0 "[ . 1 . 2 .]" 1
19 1 21 LEU H 1 21 LEU HG . . 5.000 4.417 4.224 4.534 . 0 0 "[ . 1 . 2 .]" 1
20 1 22 ARG H 1 22 ARG QD . . 6.000 4.385 3.285 4.821 . 0 0 "[ . 1 . 2 .]" 1
21 1 25 VAL H 1 25 VAL HB . . 3.000 2.439 2.347 2.595 . 0 0 "[ . 1 . 2 .]" 1
22 1 25 VAL H 1 25 VAL MG2 . . 4.000 2.258 2.151 2.368 . 0 0 "[ . 1 . 2 .]" 1
23 1 26 ARG H 1 26 ARG QD . . 6.000 4.139 2.373 4.771 . 0 0 "[ . 1 . 2 .]" 1
24 1 27 LYS H 1 27 LYS QB . . 3.600 2.261 2.177 2.362 . 0 0 "[ . 1 . 2 .]" 1
25 1 27 LYS HA 1 27 LYS QE . . 6.000 4.264 2.840 4.943 . 0 0 "[ . 1 . 2 .]" 1
26 1 33 TRP H 1 33 TRP HB3 . . 4.000 3.546 3.506 3.574 . 0 0 "[ . 1 . 2 .]" 1
27 1 36 ILE H 1 36 ILE HB . . 3.000 2.380 2.277 2.495 . 0 0 "[ . 1 . 2 .]" 1
28 1 36 ILE H 1 36 ILE QG . . 5.000 2.211 2.106 2.371 . 0 0 "[ . 1 . 2 .]" 1
29 1 36 ILE H 1 36 ILE MD . . 5.000 3.389 3.230 3.539 . 0 0 "[ . 1 . 2 .]" 1
30 1 37 LEU H 1 37 LEU HB3 . . 4.000 2.716 2.404 3.607 . 0 0 "[ . 1 . 2 .]" 1
31 1 37 LEU H 1 37 LEU HB2 . . 4.000 2.385 2.220 2.478 . 0 0 "[ . 1 . 2 .]" 1
32 1 37 LEU H 1 37 LEU HG . . 5.000 4.110 2.490 4.503 . 0 0 "[ . 1 . 2 .]" 1
33 1 38 LEU H 1 38 LEU HG . . 5.000 3.614 2.413 4.542 . 0 0 "[ . 1 . 2 .]" 1
34 1 42 PHE H 1 42 PHE HB2 . . 3.000 2.693 2.275 2.982 . 0 0 "[ . 1 . 2 .]" 1
35 1 42 PHE H 1 42 PHE QD . . 5.000 3.233 2.298 3.851 . 0 0 "[ . 1 . 2 .]" 1
36 1 45 ARG H 1 45 ARG HB2 . . 3.000 2.590 2.276 2.803 . 0 0 "[ . 1 . 2 .]" 1
37 1 45 ARG H 1 45 ARG QD . . 6.000 3.625 2.144 4.622 . 0 0 "[ . 1 . 2 .]" 1
38 1 45 ARG HA 1 45 ARG HB3 . . 3.000 2.532 2.337 3.006 0.006 3 0 "[ . 1 . 2 .]" 1
39 1 45 ARG HA 1 45 ARG QD . . 3.600 2.282 2.071 2.653 . 0 0 "[ . 1 . 2 .]" 1
40 1 48 VAL H 1 48 VAL HB . . 4.000 2.666 2.441 3.651 . 0 0 "[ . 1 . 2 .]" 1
41 1 49 MET H 1 49 MET QB . . 3.600 2.283 2.066 2.437 . 0 0 "[ . 1 . 2 .]" 1
42 1 49 MET H 1 49 MET QG . . 4.600 3.164 2.263 4.068 . 0 0 "[ . 1 . 2 .]" 1
43 1 50 LEU H 1 50 LEU HB2 . . 4.000 2.345 2.232 2.485 . 0 0 "[ . 1 . 2 .]" 1
44 1 50 LEU H 1 50 LEU HB3 . . 4.000 3.561 3.506 3.601 . 0 0 "[ . 1 . 2 .]" 1
45 1 50 LEU H 1 50 LEU HG . . 5.000 3.027 2.195 3.986 . 0 0 "[ . 1 . 2 .]" 1
46 1 51 LYS H 1 51 LYS QB . . 3.600 2.220 2.130 2.775 . 0 0 "[ . 1 . 2 .]" 1
47 1 53 ARG HA 1 53 ARG QD . . 3.600 2.540 2.130 3.298 . 0 0 "[ . 1 . 2 .]" 1
48 1 54 TRP H 1 54 TRP HD1 . . 5.000 5.006 4.864 5.040 0.040 13 0 "[ . 1 . 2 .]" 1
49 1 54 TRP H 1 54 TRP HE3 . . 5.000 4.579 4.288 4.874 . 0 0 "[ . 1 . 2 .]" 1
50 1 54 TRP HA 1 54 TRP HD1 . . 5.000 4.432 4.321 4.582 . 0 0 "[ . 1 . 2 .]" 1
51 1 55 ARG H 1 55 ARG QB . . 3.600 2.265 2.123 2.506 . 0 0 "[ . 1 . 2 .]" 1
52 1 56 THR H 1 56 THR HB . . 3.000 2.492 2.386 2.619 . 0 0 "[ . 1 . 2 .]" 1
53 1 57 MET H 1 57 MET QG . . 4.600 2.745 2.065 4.030 . 0 0 "[ . 1 . 2 .]" 1
54 1 59 LYS H 1 59 LYS QD . . 6.000 4.291 3.229 4.882 . 0 0 "[ . 1 . 2 .]" 1
55 1 59 LYS H 1 59 LYS QE . . 6.000 4.570 4.148 5.043 . 0 0 "[ . 1 . 2 .]" 1
56 1 60 LEU H 1 60 LEU HG . . 5.000 3.761 2.238 4.806 . 0 0 "[ . 1 . 2 .]" 1
57 1 63 ILE H 1 63 ILE HB . . 3.000 2.588 2.230 3.217 0.217 6 0 "[ . 1 . 2 .]" 1
58 1 63 ILE H 1 63 ILE QG . . 4.600 2.980 1.888 4.170 . 0 0 "[ . 1 . 2 .]" 1
59 1 10 ARG HA 1 11 GLN H . . 5.000 2.738 2.175 3.607 . 0 0 "[ . 1 . 2 .]" 1
60 1 11 GLN HA 1 12 ALA H . . 5.000 2.913 2.068 3.616 . 0 0 "[ . 1 . 2 .]" 1
61 1 12 ALA HA 1 13 TRP H . . 3.000 2.516 2.177 3.120 0.120 4 0 "[ . 1 . 2 .]" 1
62 1 13 TRP HA 1 14 LEU H . . 3.000 2.242 2.117 2.501 . 0 0 "[ . 1 . 2 .]" 1
63 1 14 LEU HA 1 15 TRP H . . 4.000 2.362 2.160 2.624 . 0 0 "[ . 1 . 2 .]" 1
64 1 15 TRP HA 1 16 GLU H . . 5.000 3.578 3.509 3.650 . 0 0 "[ . 1 . 2 .]" 1
65 1 16 GLU HA 1 17 GLU H . . 5.000 3.595 3.546 3.670 . 0 0 "[ . 1 . 2 .]" 1
66 1 17 GLU HA 1 18 ASP H . . 5.000 3.607 3.447 3.638 . 0 0 "[ . 1 . 2 .]" 1
67 1 18 ASP HA 1 19 LYS H . . 5.000 3.594 3.548 3.639 . 0 0 "[ . 1 . 2 .]" 1
68 1 19 LYS HA 1 20 ASN H . . 5.000 3.585 3.532 3.635 . 0 0 "[ . 1 . 2 .]" 1
69 1 20 ASN HA 1 21 LEU H . . 5.000 3.584 3.551 3.620 . 0 0 "[ . 1 . 2 .]" 1
70 1 21 LEU HA 1 22 ARG H . . 5.000 3.596 3.565 3.626 . 0 0 "[ . 1 . 2 .]" 1
71 1 22 ARG HA 1 23 SER H . . 5.000 3.596 3.566 3.624 . 0 0 "[ . 1 . 2 .]" 1
72 1 23 SER HA 1 24 GLY H . . 5.000 3.582 3.532 3.612 . 0 0 "[ . 1 . 2 .]" 1
73 1 24 GLY HA3 1 25 VAL H . . 5.000 2.697 2.577 2.810 . 0 0 "[ . 1 . 2 .]" 1
74 1 24 GLY HA2 1 25 VAL H . . 5.000 3.614 3.587 3.636 . 0 0 "[ . 1 . 2 .]" 1
75 1 25 VAL HA 1 26 ARG H . . 5.000 3.613 3.579 3.665 . 0 0 "[ . 1 . 2 .]" 1
76 1 26 ARG HA 1 27 LYS H . . 5.000 3.568 3.514 3.635 . 0 0 "[ . 1 . 2 .]" 1
77 1 27 LYS HA 1 28 TYR H . . 4.000 3.598 3.532 3.634 . 0 0 "[ . 1 . 2 .]" 1
78 1 28 TYR HA 1 29 GLY H . . 5.000 3.438 3.228 3.560 . 0 0 "[ . 1 . 2 .]" 1
79 1 29 GLY QA 1 30 GLU H . . 4.000 2.251 2.133 2.319 . 0 0 "[ . 1 . 2 .]" 1
80 1 30 GLU HA 1 31 GLY H . . 3.000 2.447 2.158 2.741 . 0 0 "[ . 1 . 2 .]" 1
81 1 31 GLY QA 1 32 ASN H . . 6.000 2.763 2.631 2.928 . 0 0 "[ . 1 . 2 .]" 1
82 1 32 ASN HA 1 33 TRP H . . 4.000 2.633 2.444 2.829 . 0 0 "[ . 1 . 2 .]" 1
83 1 33 TRP HA 1 34 SER H . . 5.000 3.566 3.527 3.629 . 0 0 "[ . 1 . 2 .]" 1
84 1 34 SER HA 1 35 LYS H . . 5.000 3.603 3.562 3.623 . 0 0 "[ . 1 . 2 .]" 1
85 1 35 LYS HA 1 36 ILE H . . 5.000 3.602 3.569 3.628 . 0 0 "[ . 1 . 2 .]" 1
86 1 36 ILE HA 1 37 LEU H . . 5.000 3.595 3.573 3.623 . 0 0 "[ . 1 . 2 .]" 1
87 1 37 LEU HA 1 38 LEU H . . 5.000 3.595 3.571 3.632 . 0 0 "[ . 1 . 2 .]" 1
88 1 38 LEU HA 1 39 HIS H . . 4.000 3.583 3.556 3.609 . 0 0 "[ . 1 . 2 .]" 1
89 1 39 HIS HA 1 40 TYR H . . 5.000 3.555 3.179 3.633 . 0 0 "[ . 1 . 2 .]" 1
90 1 40 TYR HA 1 41 LYS H . . 3.000 2.309 2.073 2.929 . 0 0 "[ . 1 . 2 .]" 1
91 1 41 LYS HA 1 42 PHE H . . 3.000 2.280 2.122 2.673 . 0 0 "[ . 1 . 2 .]" 1
92 1 42 PHE HA 1 43 ASN H . . 3.000 2.310 2.138 2.632 . 0 0 "[ . 1 . 2 .]" 1
93 1 44 ASN HA 1 45 ARG H . . 3.000 2.462 2.181 2.865 . 0 0 "[ . 1 . 2 .]" 1
94 1 45 ARG HA 1 46 THR H . . 3.000 2.264 2.101 2.552 . 0 0 "[ . 1 . 2 .]" 1
95 1 46 THR HA 1 47 SER H . . 5.000 2.440 2.311 2.565 . 0 0 "[ . 1 . 2 .]" 1
96 1 47 SER HA 1 48 VAL H . . 5.000 3.560 3.528 3.612 . 0 0 "[ . 1 . 2 .]" 1
97 1 48 VAL HA 1 49 MET H . . 5.000 3.628 3.609 3.653 . 0 0 "[ . 1 . 2 .]" 1
98 1 49 MET HA 1 50 LEU H . . 5.000 3.596 3.570 3.627 . 0 0 "[ . 1 . 2 .]" 1
99 1 50 LEU HA 1 51 LYS H . . 5.000 3.589 3.567 3.645 . 0 0 "[ . 1 . 2 .]" 1
100 1 51 LYS HA 1 52 ASP H . . 5.000 3.600 3.583 3.629 . 0 0 "[ . 1 . 2 .]" 1
101 1 52 ASP HA 1 53 ARG H . . 5.000 3.585 3.525 3.607 . 0 0 "[ . 1 . 2 .]" 1
102 1 53 ARG HA 1 54 TRP H . . 5.000 3.630 3.590 3.673 . 0 0 "[ . 1 . 2 .]" 1
103 1 54 TRP HA 1 55 ARG H . . 5.000 3.594 3.547 3.653 . 0 0 "[ . 1 . 2 .]" 1
104 1 55 ARG HA 1 56 THR H . . 5.000 3.589 3.524 3.641 . 0 0 "[ . 1 . 2 .]" 1
105 1 56 THR HA 1 57 MET H . . 5.000 3.618 3.575 3.666 . 0 0 "[ . 1 . 2 .]" 1
106 1 57 MET HA 1 58 LYS H . . 5.000 3.584 3.519 3.631 . 0 0 "[ . 1 . 2 .]" 1
107 1 58 LYS HA 1 59 LYS H . . 5.000 3.560 3.127 3.655 . 0 0 "[ . 1 . 2 .]" 1
108 1 59 LYS HA 1 60 LEU H . . 5.000 3.542 2.802 3.640 . 0 0 "[ . 1 . 2 .]" 1
109 1 60 LEU HA 1 61 LYS H . . 5.000 3.279 2.636 3.644 . 0 0 "[ . 1 . 2 .]" 1
110 1 61 LYS HA 1 62 LEU H . . 4.000 3.316 2.565 3.638 . 0 0 "[ . 1 . 2 .]" 1
111 1 62 LEU HA 1 63 ILE H . . 4.000 2.886 2.130 3.643 . 0 0 "[ . 1 . 2 .]" 1
112 1 63 ILE HA 1 64 SER H . . 5.000 2.757 2.080 3.611 . 0 0 "[ . 1 . 2 .]" 1
113 1 65 SER HA 1 66 ASP H . . 5.000 2.835 2.123 3.609 . 0 0 "[ . 1 . 2 .]" 1
114 1 66 ASP HA 1 67 SER H . . 5.000 2.939 2.126 3.609 . 0 0 "[ . 1 . 2 .]" 1
115 1 67 SER HA 1 68 GLU H . . 5.000 2.556 2.190 3.594 . 0 0 "[ . 1 . 2 .]" 1
116 1 14 LEU HA 1 16 GLU H . . 5.000 4.421 4.028 4.852 . 0 0 "[ . 1 . 2 .]" 1
117 1 15 TRP HA 1 17 GLU H . . 5.000 4.644 4.413 5.001 0.001 5 0 "[ . 1 . 2 .]" 1
118 1 16 GLU HA 1 18 ASP H . . 5.000 4.684 4.445 4.899 . 0 0 "[ . 1 . 2 .]" 1
119 1 25 VAL HA 1 27 LYS H . . 5.000 4.374 3.941 4.850 . 0 0 "[ . 1 . 2 .]" 1
120 1 27 LYS HA 1 29 GLY H . . 5.000 4.740 4.488 5.020 0.020 21 0 "[ . 1 . 2 .]" 1
121 1 30 GLU HA 1 32 ASN H . . 5.000 3.651 3.286 4.232 . 0 0 "[ . 1 . 2 .]" 1
122 1 35 LYS HA 1 37 LEU H . . 5.000 4.670 4.455 4.923 . 0 0 "[ . 1 . 2 .]" 1
123 1 38 LEU HA 1 40 TYR H . . 5.000 4.734 3.922 5.019 0.019 23 0 "[ . 1 . 2 .]" 1
124 1 61 LYS HA 1 63 ILE H . . 6.000 4.747 3.045 6.015 0.015 22 0 "[ . 1 . 2 .]" 1
125 1 15 TRP HA 1 18 ASP H . . 5.000 3.619 3.339 3.916 . 0 0 "[ . 1 . 2 .]" 1
126 1 16 GLU HA 1 19 LYS H . . 4.000 3.674 3.322 4.020 0.020 6 0 "[ . 1 . 2 .]" 1
127 1 17 GLU HA 1 20 ASN H . . 5.000 3.611 3.294 4.001 . 0 0 "[ . 1 . 2 .]" 1
128 1 18 ASP HA 1 21 LEU H . . 4.000 3.546 3.212 3.983 . 0 0 "[ . 1 . 2 .]" 1
129 1 19 LYS HA 1 22 ARG H . . 4.000 3.656 3.382 3.970 . 0 0 "[ . 1 . 2 .]" 1
130 1 20 ASN HA 1 23 SER H . . 5.000 3.712 3.123 4.057 . 0 0 "[ . 1 . 2 .]" 1
131 1 21 LEU HA 1 24 GLY H . . 5.000 3.498 3.226 3.765 . 0 0 "[ . 1 . 2 .]" 1
132 1 22 ARG HA 1 25 VAL H . . 5.000 3.645 3.289 4.048 . 0 0 "[ . 1 . 2 .]" 1
133 1 23 SER HA 1 26 ARG H . . 5.000 3.592 3.279 3.966 . 0 0 "[ . 1 . 2 .]" 1
134 1 24 GLY HA3 1 27 LYS H . . 5.000 4.741 4.481 4.954 . 0 0 "[ . 1 . 2 .]" 1
135 1 32 ASN HA 1 35 LYS H . . 5.000 3.738 3.483 3.991 . 0 0 "[ . 1 . 2 .]" 1
136 1 33 TRP HA 1 36 ILE H . . 5.000 3.454 3.301 3.728 . 0 0 "[ . 1 . 2 .]" 1
137 1 34 SER HA 1 37 LEU H . . 5.000 3.695 3.438 3.973 . 0 0 "[ . 1 . 2 .]" 1
138 1 35 LYS HA 1 38 LEU H . . 5.000 3.523 3.305 3.726 . 0 0 "[ . 1 . 2 .]" 1
139 1 36 ILE HA 1 39 HIS H . . 5.000 3.718 3.308 4.078 . 0 0 "[ . 1 . 2 .]" 1
140 1 37 LEU HA 1 40 TYR H . . 5.000 4.014 3.520 4.326 . 0 0 "[ . 1 . 2 .]" 1
141 1 47 SER HA 1 50 LEU H . . 5.000 3.605 3.339 3.896 . 0 0 "[ . 1 . 2 .]" 1
142 1 48 VAL HA 1 51 LYS H . . 5.000 3.686 3.369 3.991 . 0 0 "[ . 1 . 2 .]" 1
143 1 49 MET HA 1 52 ASP H . . 5.000 3.669 3.381 3.926 . 0 0 "[ . 1 . 2 .]" 1
144 1 50 LEU HA 1 53 ARG H . . 5.000 3.894 3.697 4.158 . 0 0 "[ . 1 . 2 .]" 1
145 1 51 LYS HA 1 54 TRP H . . 5.000 3.841 3.533 4.059 . 0 0 "[ . 1 . 2 .]" 1
146 1 52 ASP HA 1 55 ARG H . . 5.000 3.602 2.877 3.998 . 0 0 "[ . 1 . 2 .]" 1
147 1 53 ARG HA 1 56 THR H . . 5.000 3.735 3.375 4.100 . 0 0 "[ . 1 . 2 .]" 1
148 1 54 TRP HA 1 57 MET H . . 5.000 3.592 3.202 4.003 . 0 0 "[ . 1 . 2 .]" 1
149 1 55 ARG HA 1 58 LYS H . . 5.000 3.637 3.192 4.006 . 0 0 "[ . 1 . 2 .]" 1
150 1 56 THR HA 1 59 LYS H . . 5.000 3.748 3.399 4.227 . 0 0 "[ . 1 . 2 .]" 1
151 1 57 MET HA 1 60 LEU H . . 5.000 4.115 3.246 5.028 0.028 15 0 "[ . 1 . 2 .]" 1
152 1 58 LYS HA 1 61 LYS H . . 5.000 4.220 3.317 5.022 0.022 4 0 "[ . 1 . 2 .]" 1
153 1 15 TRP HA 1 19 LYS H . . 5.000 3.962 3.646 4.218 . 0 0 "[ . 1 . 2 .]" 1
154 1 16 GLU HA 1 20 ASN H . . 5.000 3.949 3.695 4.332 . 0 0 "[ . 1 . 2 .]" 1
155 1 17 GLU HA 1 21 LEU H . . 5.000 3.957 3.676 4.218 . 0 0 "[ . 1 . 2 .]" 1
156 1 18 ASP HA 1 22 ARG H . . 5.000 3.920 3.742 4.150 . 0 0 "[ . 1 . 2 .]" 1
157 1 19 LYS HA 1 23 SER H . . 5.000 3.950 3.644 4.334 . 0 0 "[ . 1 . 2 .]" 1
158 1 20 ASN HA 1 24 GLY H . . 5.000 3.951 3.600 4.186 . 0 0 "[ . 1 . 2 .]" 1
159 1 21 LEU HA 1 25 VAL H . . 5.000 3.954 3.689 4.124 . 0 0 "[ . 1 . 2 .]" 1
160 1 22 ARG HA 1 26 ARG H . . 5.000 4.054 3.776 4.305 . 0 0 "[ . 1 . 2 .]" 1
161 1 23 SER HA 1 27 LYS H . . 5.000 4.072 3.818 4.373 . 0 0 "[ . 1 . 2 .]" 1
162 1 33 TRP HA 1 37 LEU H . . 5.000 3.797 3.592 4.094 . 0 0 "[ . 1 . 2 .]" 1
163 1 34 SER HA 1 38 LEU H . . 5.000 4.096 3.871 4.311 . 0 0 "[ . 1 . 2 .]" 1
164 1 35 LYS HA 1 39 HIS H . . 5.000 3.925 3.574 4.345 . 0 0 "[ . 1 . 2 .]" 1
165 1 36 ILE HA 1 40 TYR H . . 6.000 3.922 3.215 5.118 . 0 0 "[ . 1 . 2 .]" 1
166 1 47 SER HA 1 51 LYS H . . 5.000 3.919 3.733 4.118 . 0 0 "[ . 1 . 2 .]" 1
167 1 48 VAL HA 1 52 ASP H . . 5.000 3.847 3.632 4.185 . 0 0 "[ . 1 . 2 .]" 1
168 1 49 MET HA 1 53 ARG H . . 5.000 3.736 3.557 3.968 . 0 0 "[ . 1 . 2 .]" 1
169 1 50 LEU HA 1 54 TRP H . . 5.000 3.989 3.779 4.249 . 0 0 "[ . 1 . 2 .]" 1
170 1 52 ASP HA 1 56 THR H . . 5.000 3.936 3.442 4.321 . 0 0 "[ . 1 . 2 .]" 1
171 1 53 ARG HA 1 57 MET H . . 5.000 4.302 3.912 5.009 0.009 13 0 "[ . 1 . 2 .]" 1
172 1 54 TRP HA 1 58 LYS H . . 5.000 3.973 3.626 4.348 . 0 0 "[ . 1 . 2 .]" 1
173 1 55 ARG HA 1 59 LYS H . . 5.000 4.024 3.412 5.011 0.011 4 0 "[ . 1 . 2 .]" 1
174 1 7 ALA MB 1 8 ARG H . . 6.500 3.074 1.964 3.772 . 0 0 "[ . 1 . 2 .]" 1
175 1 11 GLN QB 1 12 ALA H . . 6.000 3.283 1.976 3.996 . 0 0 "[ . 1 . 2 .]" 1
176 1 12 ALA MB 1 13 TRP H . . 5.500 2.753 1.846 3.764 . 0 0 "[ . 1 . 2 .]" 1
177 1 13 TRP HB2 1 14 LEU H . . 5.000 4.368 3.680 4.676 . 0 0 "[ . 1 . 2 .]" 1
178 1 13 TRP HB3 1 14 LEU H . . 5.000 3.452 2.252 4.268 . 0 0 "[ . 1 . 2 .]" 1
179 1 14 LEU QB 1 15 TRP H . . 6.000 2.470 2.013 3.498 . 0 0 "[ . 1 . 2 .]" 1
180 1 15 TRP QB 1 16 GLU H . . 6.000 3.385 3.191 3.473 . 0 0 "[ . 1 . 2 .]" 1
181 1 16 GLU QB 1 17 GLU H . . 5.000 2.741 2.221 3.612 . 0 0 "[ . 1 . 2 .]" 1
182 1 17 GLU HB3 1 18 ASP H . . 4.000 3.519 2.346 3.828 . 0 0 "[ . 1 . 2 .]" 1
183 1 17 GLU HB2 1 18 ASP H . . 3.000 2.564 2.243 3.168 0.168 23 0 "[ . 1 . 2 .]" 1
184 1 18 ASP HB3 1 19 LYS H . . 5.000 3.352 2.606 3.723 . 0 0 "[ . 1 . 2 .]" 1
185 1 18 ASP HB2 1 19 LYS H . . 3.000 2.720 2.453 3.044 0.044 7 0 "[ . 1 . 2 .]" 1
186 1 19 LYS QB 1 20 ASN H . . 5.000 2.528 2.184 3.624 . 0 0 "[ . 1 . 2 .]" 1
187 1 20 ASN QB 1 21 LEU H . . 6.000 2.611 2.272 3.760 . 0 0 "[ . 1 . 2 .]" 1
188 1 21 LEU HB3 1 22 ARG H . . 3.000 2.443 2.281 2.649 . 0 0 "[ . 1 . 2 .]" 1
189 1 21 LEU HB2 1 22 ARG H . . 5.000 3.827 3.642 4.018 . 0 0 "[ . 1 . 2 .]" 1
190 1 22 ARG QB 1 23 SER H . . 5.000 2.476 2.140 2.800 . 0 0 "[ . 1 . 2 .]" 1
191 1 23 SER QB 1 24 GLY H . . 6.000 2.751 2.241 3.621 . 0 0 "[ . 1 . 2 .]" 1
192 1 25 VAL HB 1 26 ARG H . . 3.000 2.755 2.600 2.870 . 0 0 "[ . 1 . 2 .]" 1
193 1 26 ARG QB 1 27 LYS H . . 4.000 2.798 2.497 3.601 . 0 0 "[ . 1 . 2 .]" 1
194 1 27 LYS QB 1 28 TYR H . . 4.000 2.569 2.238 3.127 . 0 0 "[ . 1 . 2 .]" 1
195 1 28 TYR QB 1 29 GLY H . . 6.000 3.283 2.654 3.710 . 0 0 "[ . 1 . 2 .]" 1
196 1 30 GLU QB 1 31 GLY H . . 6.000 2.768 2.003 4.095 . 0 0 "[ . 1 . 2 .]" 1
197 1 32 ASN QB 1 33 TRP H . . 6.000 3.958 3.924 4.021 . 0 0 "[ . 1 . 2 .]" 1
198 1 33 TRP HB2 1 34 SER H . . 5.000 2.737 2.315 2.979 . 0 0 "[ . 1 . 2 .]" 1
199 1 33 TRP HB3 1 34 SER H . . 5.000 3.900 3.590 4.046 . 0 0 "[ . 1 . 2 .]" 1
200 1 34 SER QB 1 35 LYS H . . 6.000 2.534 2.311 3.247 . 0 0 "[ . 1 . 2 .]" 1
201 1 35 LYS QB 1 36 ILE H . . 6.000 2.475 2.197 2.710 . 0 0 "[ . 1 . 2 .]" 1
202 1 36 ILE HB 1 37 LEU H . . 4.000 2.584 2.392 2.915 . 0 0 "[ . 1 . 2 .]" 1
203 1 37 LEU QB 1 38 LEU H . . 5.000 2.596 2.343 2.819 . 0 0 "[ . 1 . 2 .]" 1
204 1 38 LEU QB 1 39 HIS H . . 5.000 2.578 2.356 2.837 . 0 0 "[ . 1 . 2 .]" 1
205 1 39 HIS QB 1 40 TYR H . . 5.000 2.811 2.332 3.787 . 0 0 "[ . 1 . 2 .]" 1
206 1 40 TYR QB 1 41 LYS H . . 5.000 2.618 1.821 3.319 . 0 0 "[ . 1 . 2 .]" 1
207 1 41 LYS QB 1 42 PHE H . . 5.000 3.339 2.432 4.100 . 0 0 "[ . 1 . 2 .]" 1
208 1 42 PHE HB3 1 43 ASN H . . 4.000 2.844 2.253 3.391 . 0 0 "[ . 1 . 2 .]" 1
209 1 42 PHE HB2 1 43 ASN H . . 5.000 3.978 3.493 4.365 . 0 0 "[ . 1 . 2 .]" 1
210 1 43 ASN QB 1 44 ASN H . . 7.000 3.504 2.115 4.069 . 0 0 "[ . 1 . 2 .]" 1
211 1 44 ASN QB 1 45 ARG H . . 6.000 3.988 3.705 4.105 . 0 0 "[ . 1 . 2 .]" 1
212 1 45 ARG HB3 1 46 THR H . . 5.000 3.087 2.108 3.836 . 0 0 "[ . 1 . 2 .]" 1
213 1 45 ARG HB2 1 46 THR H . . 5.000 4.028 3.209 4.501 . 0 0 "[ . 1 . 2 .]" 1
214 1 46 THR HB 1 47 SER H . . 5.000 2.454 2.247 2.657 . 0 0 "[ . 1 . 2 .]" 1
215 1 47 SER QB 1 48 VAL H . . 6.000 2.816 2.456 3.456 . 0 0 "[ . 1 . 2 .]" 1
216 1 48 VAL HB 1 49 MET H . . 4.000 2.779 2.383 4.016 0.016 12 0 "[ . 1 . 2 .]" 1
217 1 49 MET QB 1 50 LEU H . . 5.000 2.589 2.402 2.894 . 0 0 "[ . 1 . 2 .]" 1
218 1 50 LEU HB2 1 51 LYS H . . 5.000 2.492 2.309 2.789 . 0 0 "[ . 1 . 2 .]" 1
219 1 50 LEU HB3 1 51 LYS H . . 4.000 3.223 2.964 3.450 . 0 0 "[ . 1 . 2 .]" 1
220 1 51 LYS QB 1 52 ASP H . . 6.000 2.561 2.125 3.622 . 0 0 "[ . 1 . 2 .]" 1
221 1 52 ASP QB 1 53 ARG H . . 6.000 2.531 2.233 3.227 . 0 0 "[ . 1 . 2 .]" 1
222 1 53 ARG QB 1 54 TRP H . . 4.000 2.537 2.269 3.233 . 0 0 "[ . 1 . 2 .]" 1
223 1 54 TRP QB 1 55 ARG H . . 6.000 2.487 2.279 2.788 . 0 0 "[ . 1 . 2 .]" 1
224 1 55 ARG QB 1 56 THR H . . 6.000 2.698 2.263 3.697 . 0 0 "[ . 1 . 2 .]" 1
225 1 56 THR HB 1 57 MET H . . 5.000 2.714 2.204 3.994 . 0 0 "[ . 1 . 2 .]" 1
226 1 57 MET QB 1 58 LYS H . . 6.000 2.677 2.215 3.736 . 0 0 "[ . 1 . 2 .]" 1
227 1 58 LYS QB 1 59 LYS H . . 5.000 2.889 2.221 4.089 . 0 0 "[ . 1 . 2 .]" 1
228 1 59 LYS QB 1 60 LEU H . . 5.000 2.636 2.023 3.937 . 0 0 "[ . 1 . 2 .]" 1
229 1 60 LEU QB 1 61 LYS H . . 5.000 3.178 2.068 4.105 . 0 0 "[ . 1 . 2 .]" 1
230 1 61 LYS QB 1 62 LEU H . . 6.000 3.086 1.951 4.009 . 0 0 "[ . 1 . 2 .]" 1
231 1 62 LEU QB 1 63 ILE H . . 6.000 3.490 1.987 4.117 . 0 0 "[ . 1 . 2 .]" 1
232 1 63 ILE HB 1 64 SER H . . 6.000 3.939 2.019 4.632 . 0 0 "[ . 1 . 2 .]" 1
233 1 65 SER QB 1 66 ASP H . . 6.000 3.244 2.098 4.103 . 0 0 "[ . 1 . 2 .]" 1
234 1 66 ASP QB 1 67 SER H . . 6.000 3.116 2.000 4.083 . 0 0 "[ . 1 . 2 .]" 1
235 1 67 SER QB 1 68 GLU H . . 6.000 3.101 1.996 4.078 . 0 0 "[ . 1 . 2 .]" 1
236 1 13 TRP H 1 14 LEU H . . 5.000 4.058 2.729 4.635 . 0 0 "[ . 1 . 2 .]" 1
237 1 15 TRP H 1 16 GLU H . . 5.000 2.848 2.654 3.008 . 0 0 "[ . 1 . 2 .]" 1
238 1 16 GLU H 1 17 GLU H . . 4.000 2.786 2.643 2.987 . 0 0 "[ . 1 . 2 .]" 1
239 1 17 GLU H 1 18 ASP H . . 4.000 2.823 2.494 3.041 . 0 0 "[ . 1 . 2 .]" 1
240 1 18 ASP H 1 19 LYS H . . 4.000 2.819 2.690 2.971 . 0 0 "[ . 1 . 2 .]" 1
241 1 19 LYS H 1 20 ASN H . . 4.000 2.770 2.616 3.035 . 0 0 "[ . 1 . 2 .]" 1
242 1 20 ASN H 1 21 LEU H . . 4.000 2.787 2.660 2.960 . 0 0 "[ . 1 . 2 .]" 1
243 1 21 LEU H 1 22 ARG H . . 3.000 2.794 2.582 3.022 0.022 20 0 "[ . 1 . 2 .]" 1
244 1 22 ARG H 1 23 SER H . . 4.000 2.857 2.769 2.962 . 0 0 "[ . 1 . 2 .]" 1
245 1 23 SER H 1 24 GLY H . . 4.000 2.727 2.595 2.914 . 0 0 "[ . 1 . 2 .]" 1
246 1 24 GLY H 1 25 VAL H . . 4.000 2.885 2.770 3.159 . 0 0 "[ . 1 . 2 .]" 1
247 1 25 VAL H 1 26 ARG H . . 4.000 2.776 2.598 2.938 . 0 0 "[ . 1 . 2 .]" 1
248 1 26 ARG H 1 27 LYS H . . 5.000 2.753 2.650 2.934 . 0 0 "[ . 1 . 2 .]" 1
249 1 27 LYS H 1 28 TYR H . . 4.000 2.666 2.480 2.876 . 0 0 "[ . 1 . 2 .]" 1
250 1 28 TYR H 1 29 GLY H . . 3.000 2.352 2.149 2.623 . 0 0 "[ . 1 . 2 .]" 1
251 1 29 GLY H 1 30 GLU H . . 5.000 4.319 3.893 4.531 . 0 0 "[ . 1 . 2 .]" 1
252 1 31 GLY H 1 32 ASN H . . 5.000 3.124 2.144 3.516 . 0 0 "[ . 1 . 2 .]" 1
253 1 32 ASN H 1 33 TRP H . . 5.000 3.421 2.391 3.688 . 0 0 "[ . 1 . 2 .]" 1
254 1 33 TRP H 1 34 SER H . . 5.000 2.779 2.645 2.984 . 0 0 "[ . 1 . 2 .]" 1
255 1 34 SER H 1 35 LYS H . . 5.000 2.781 2.677 2.902 . 0 0 "[ . 1 . 2 .]" 1
256 1 35 LYS H 1 36 ILE H . . 4.000 2.782 2.650 2.914 . 0 0 "[ . 1 . 2 .]" 1
257 1 36 ILE H 1 37 LEU H . . 4.000 2.882 2.799 2.983 . 0 0 "[ . 1 . 2 .]" 1
258 1 37 LEU H 1 38 LEU H . . 4.000 2.833 2.728 2.933 . 0 0 "[ . 1 . 2 .]" 1
259 1 38 LEU H 1 39 HIS H . . 3.000 2.722 2.522 2.996 . 0 0 "[ . 1 . 2 .]" 1
260 1 39 HIS H 1 40 TYR H . . 3.000 2.762 2.615 2.990 . 0 0 "[ . 1 . 2 .]" 1
261 1 41 LYS H 1 42 PHE H . . 5.000 4.394 3.621 4.689 . 0 0 "[ . 1 . 2 .]" 1
262 1 42 PHE H 1 43 ASN H . . 5.000 4.382 4.087 4.710 . 0 0 "[ . 1 . 2 .]" 1
263 1 43 ASN H 1 44 ASN H . . 6.000 3.394 2.527 3.855 . 0 0 "[ . 1 . 2 .]" 1
264 1 44 ASN H 1 45 ARG H . . 4.000 3.016 2.211 3.374 . 0 0 "[ . 1 . 2 .]" 1
265 1 45 ARG H 1 46 THR H . . 5.000 4.392 4.017 4.553 . 0 0 "[ . 1 . 2 .]" 1
266 1 46 THR H 1 47 SER H . . 5.000 4.540 4.379 4.688 . 0 0 "[ . 1 . 2 .]" 1
267 1 47 SER H 1 48 VAL H . . 5.000 2.717 2.627 2.863 . 0 0 "[ . 1 . 2 .]" 1
268 1 48 VAL H 1 49 MET H . . 4.000 2.759 2.587 2.948 . 0 0 "[ . 1 . 2 .]" 1
269 1 49 MET H 1 50 LEU H . . 4.000 2.796 2.658 2.887 . 0 0 "[ . 1 . 2 .]" 1
270 1 50 LEU H 1 51 LYS H . . 4.000 2.824 2.697 2.981 . 0 0 "[ . 1 . 2 .]" 1
271 1 51 LYS H 1 52 ASP H . . 4.000 2.915 2.801 3.092 . 0 0 "[ . 1 . 2 .]" 1
272 1 52 ASP H 1 53 ARG H . . 4.000 2.845 2.743 2.951 . 0 0 "[ . 1 . 2 .]" 1
273 1 53 ARG H 1 54 TRP H . . 4.000 2.872 2.637 3.078 . 0 0 "[ . 1 . 2 .]" 1
274 1 54 TRP H 1 55 ARG H . . 4.000 2.765 2.575 2.967 . 0 0 "[ . 1 . 2 .]" 1
275 1 55 ARG H 1 56 THR H . . 4.000 2.833 2.717 2.980 . 0 0 "[ . 1 . 2 .]" 1
276 1 56 THR H 1 57 MET H . . 4.000 2.829 2.617 3.107 . 0 0 "[ . 1 . 2 .]" 1
277 1 57 MET H 1 58 LYS H . . 4.000 2.773 2.467 2.987 . 0 0 "[ . 1 . 2 .]" 1
278 1 58 LYS H 1 59 LYS H . . 5.000 2.846 2.623 3.104 . 0 0 "[ . 1 . 2 .]" 1
279 1 59 LYS H 1 60 LEU H . . 5.000 2.876 2.463 3.496 . 0 0 "[ . 1 . 2 .]" 1
280 1 60 LEU H 1 61 LYS H . . 5.000 2.575 1.837 3.484 . 0 0 "[ . 1 . 2 .]" 1
281 1 61 LYS H 1 62 LEU H . . 4.000 2.611 1.799 3.634 . 0 0 "[ . 1 . 2 .]" 1
282 1 62 LEU H 1 63 ILE H . . 4.000 2.804 1.931 4.033 0.033 1 0 "[ . 1 . 2 .]" 1
283 1 63 ILE H 1 64 SER H . . 6.000 3.551 1.911 4.640 . 0 0 "[ . 1 . 2 .]" 1
284 1 15 TRP H 1 17 GLU H . . 5.000 4.452 4.207 4.920 . 0 0 "[ . 1 . 2 .]" 1
285 1 16 GLU H 1 18 ASP H . . 5.000 4.300 4.073 4.698 . 0 0 "[ . 1 . 2 .]" 1
286 1 17 GLU H 1 19 LYS H . . 5.000 4.325 4.044 4.646 . 0 0 "[ . 1 . 2 .]" 1
287 1 19 LYS H 1 21 LEU H . . 5.000 4.256 4.009 4.550 . 0 0 "[ . 1 . 2 .]" 1
288 1 21 LEU H 1 23 SER H . . 5.000 4.291 4.047 4.490 . 0 0 "[ . 1 . 2 .]" 1
289 1 24 GLY H 1 26 ARG H . . 5.000 4.228 3.903 4.480 . 0 0 "[ . 1 . 2 .]" 1
290 1 25 VAL H 1 27 LYS H . . 5.000 4.225 4.015 4.572 . 0 0 "[ . 1 . 2 .]" 1
291 1 27 LYS H 1 29 GLY H . . 5.000 3.887 3.642 4.152 . 0 0 "[ . 1 . 2 .]" 1
292 1 35 LYS H 1 37 LEU H . . 5.000 4.328 4.118 4.562 . 0 0 "[ . 1 . 2 .]" 1
293 1 36 ILE H 1 38 LEU H . . 5.000 4.289 4.065 4.494 . 0 0 "[ . 1 . 2 .]" 1
294 1 37 LEU H 1 39 HIS H . . 5.000 4.407 4.162 4.632 . 0 0 "[ . 1 . 2 .]" 1
295 1 38 LEU H 1 40 TYR H . . 5.000 4.360 4.161 4.661 . 0 0 "[ . 1 . 2 .]" 1
296 1 43 ASN H 1 45 ARG H . . 6.000 4.657 3.526 5.732 . 0 0 "[ . 1 . 2 .]" 1
297 1 50 LEU H 1 52 ASP H . . 5.000 4.407 4.093 4.690 . 0 0 "[ . 1 . 2 .]" 1
298 1 51 LYS H 1 53 ARG H . . 5.000 4.419 4.059 4.605 . 0 0 "[ . 1 . 2 .]" 1
299 1 52 ASP H 1 54 TRP H . . 5.000 4.402 4.194 4.675 . 0 0 "[ . 1 . 2 .]" 1
300 1 53 ARG H 1 55 ARG H . . 5.000 4.319 3.805 4.603 . 0 0 "[ . 1 . 2 .]" 1
301 1 55 ARG H 1 57 MET H . . 5.000 4.444 4.076 5.005 0.005 25 0 "[ . 1 . 2 .]" 1
302 1 56 THR H 1 58 LYS H . . 5.000 4.292 3.959 4.648 . 0 0 "[ . 1 . 2 .]" 1
303 1 60 LEU H 1 62 LEU H . . 5.000 4.182 3.101 5.022 0.022 9 0 "[ . 1 . 2 .]" 1
304 1 14 LEU H 1 17 GLU H . . 5.000 3.775 3.250 4.081 . 0 0 "[ . 1 . 2 .]" 1
305 1 15 TRP HA 1 18 ASP HB3 . . 5.000 4.314 3.199 4.861 . 0 0 "[ . 1 . 2 .]" 1
306 1 15 TRP HA 1 18 ASP HB2 . . 4.000 2.778 2.351 3.216 . 0 0 "[ . 1 . 2 .]" 1
307 1 16 GLU HA 1 19 LYS QB . . 6.000 2.786 2.416 4.228 . 0 0 "[ . 1 . 2 .]" 1
308 1 17 GLU HA 1 20 ASN QB . . 6.000 2.684 2.168 4.329 . 0 0 "[ . 1 . 2 .]" 1
309 1 18 ASP HA 1 21 LEU HB3 . . 4.000 2.712 2.366 3.185 . 0 0 "[ . 1 . 2 .]" 1
310 1 18 ASP HA 1 21 LEU HB2 . . 5.000 3.648 3.080 4.296 . 0 0 "[ . 1 . 2 .]" 1
311 1 19 LYS HA 1 22 ARG QB . . 6.000 2.771 2.463 3.314 . 0 0 "[ . 1 . 2 .]" 1
312 1 20 ASN HA 1 23 SER QB . . 6.000 3.057 2.430 4.221 . 0 0 "[ . 1 . 2 .]" 1
313 1 22 ARG HA 1 25 VAL HB . . 4.000 3.068 2.557 3.922 . 0 0 "[ . 1 . 2 .]" 1
314 1 23 SER HA 1 26 ARG QB . . 6.000 2.779 2.154 4.217 . 0 0 "[ . 1 . 2 .]" 1
315 1 24 GLY HA3 1 27 LYS QB . . 6.000 4.532 4.086 5.309 . 0 0 "[ . 1 . 2 .]" 1
316 1 33 TRP HA 1 36 ILE HB . . 5.000 2.436 2.261 2.741 . 0 0 "[ . 1 . 2 .]" 1
317 1 34 SER HA 1 37 LEU QB . . 6.000 2.726 2.483 3.202 . 0 0 "[ . 1 . 2 .]" 1
318 1 35 LYS HA 1 38 LEU QB . . 6.000 2.679 2.470 3.033 . 0 0 "[ . 1 . 2 .]" 1
319 1 36 ILE HA 1 39 HIS QB . . 5.000 3.122 2.412 3.713 . 0 0 "[ . 1 . 2 .]" 1
320 1 48 VAL HA 1 51 LYS QB . . 6.000 2.876 2.245 4.318 . 0 0 "[ . 1 . 2 .]" 1
321 1 49 MET HA 1 52 ASP QB . . 6.000 2.824 2.277 3.421 . 0 0 "[ . 1 . 2 .]" 1
322 1 50 LEU HA 1 53 ARG QB . . 4.000 2.939 2.589 3.451 . 0 0 "[ . 1 . 2 .]" 1
323 1 51 LYS HA 1 54 TRP QB . . 6.000 3.053 2.537 3.367 . 0 0 "[ . 1 . 2 .]" 1
324 1 53 ARG HA 1 56 THR HB . . 4.000 3.159 2.540 4.060 0.060 22 0 "[ . 1 . 2 .]" 1
325 1 54 TRP HA 1 57 MET QB . . 6.000 3.162 2.450 4.998 . 0 0 "[ . 1 . 2 .]" 1
326 1 55 ARG HA 1 58 LYS QB . . 6.000 2.882 2.203 4.517 . 0 0 "[ . 1 . 2 .]" 1
327 1 56 THR HA 1 59 LYS QB . . 6.000 3.164 2.443 4.308 . 0 0 "[ . 1 . 2 .]" 1
328 1 12 ALA HA 1 13 TRP HD1 . . 5.000 4.157 3.306 5.023 0.023 17 0 "[ . 1 . 2 .]" 1
329 1 12 ALA MB 1 13 TRP HD1 . . 6.500 4.059 2.734 5.220 . 0 0 "[ . 1 . 2 .]" 1
330 1 13 TRP HD1 1 53 ARG QD . . 6.000 4.273 3.095 5.358 . 0 0 "[ . 1 . 2 .]" 1
331 1 13 TRP HE1 1 49 MET QB . . 6.500 3.547 1.996 4.520 . 0 0 "[ . 1 . 2 .]" 1
332 1 13 TRP HE1 1 53 ARG QG . . 6.000 3.984 2.962 5.355 . 0 0 "[ . 1 . 2 .]" 1
333 1 13 TRP HE1 1 53 ARG QD . . 6.000 4.235 2.923 5.344 . 0 0 "[ . 1 . 2 .]" 1
334 1 13 TRP HZ2 1 21 LEU MD2 . . 6.500 4.188 3.666 4.623 . 0 0 "[ . 1 . 2 .]" 1
335 1 13 TRP HZ2 1 45 ARG HA . . 6.000 4.898 4.313 5.769 . 0 0 "[ . 1 . 2 .]" 1
336 1 13 TRP HZ2 1 45 ARG HB3 . . 5.000 3.381 2.408 5.003 0.003 24 0 "[ . 1 . 2 .]" 1
337 1 13 TRP HZ2 1 45 ARG QD . . 6.000 3.426 2.300 5.103 . 0 0 "[ . 1 . 2 .]" 1
338 1 13 TRP HZ2 1 49 MET HA . . 5.000 4.255 3.516 4.797 . 0 0 "[ . 1 . 2 .]" 1
339 1 13 TRP HZ2 1 49 MET QB . . 5.000 2.694 2.094 3.633 . 0 0 "[ . 1 . 2 .]" 1
340 1 13 TRP HZ2 1 49 MET QG . . 6.000 3.493 2.148 4.981 . 0 0 "[ . 1 . 2 .]" 1
341 1 13 TRP HZ2 1 50 LEU HA . . 5.000 2.952 2.472 3.355 . 0 0 "[ . 1 . 2 .]" 1
342 1 13 TRP HZ2 1 50 LEU MD1 . . 6.500 4.191 2.399 5.430 . 0 0 "[ . 1 . 2 .]" 1
343 1 13 TRP HZ2 1 50 LEU MD2 . . 6.500 4.356 3.070 5.330 . 0 0 "[ . 1 . 2 .]" 1
344 1 13 TRP HZ2 1 53 ARG QB . . 5.000 2.961 2.452 3.809 . 0 0 "[ . 1 . 2 .]" 1
345 1 13 TRP HH2 1 21 LEU MD1 . . 7.500 3.325 2.226 4.420 . 0 0 "[ . 1 . 2 .]" 1
346 1 13 TRP HH2 1 21 LEU MD2 . . 6.500 2.810 2.394 3.591 . 0 0 "[ . 1 . 2 .]" 1
347 1 13 TRP HH2 1 42 PHE QD . . 7.000 3.942 2.964 4.685 . 0 0 "[ . 1 . 2 .]" 1
348 1 13 TRP HH2 1 49 MET QB . . 6.000 4.431 3.205 5.349 . 0 0 "[ . 1 . 2 .]" 1
349 1 13 TRP HH2 1 50 LEU HA . . 4.000 2.614 2.184 3.174 . 0 0 "[ . 1 . 2 .]" 1
350 1 13 TRP HH2 1 50 LEU HG . . 4.000 2.780 2.165 4.029 0.029 20 0 "[ . 1 . 2 .]" 1
351 1 13 TRP HH2 1 50 LEU MD1 . . 6.500 3.595 2.264 4.904 . 0 0 "[ . 1 . 2 .]" 1
352 1 13 TRP HH2 1 50 LEU MD2 . . 4.500 2.829 2.034 3.772 . 0 0 "[ . 1 . 2 .]" 1
353 1 13 TRP HZ3 1 17 GLU HB3 . . 4.000 2.816 2.466 3.557 . 0 0 "[ . 1 . 2 .]" 1
354 1 13 TRP HZ3 1 17 GLU HB2 . . 5.000 3.945 3.280 5.013 0.013 23 0 "[ . 1 . 2 .]" 1
355 1 13 TRP HZ3 1 18 ASP HA . . 5.000 3.494 2.600 4.725 . 0 0 "[ . 1 . 2 .]" 1
356 1 13 TRP HZ3 1 21 LEU H . . 6.000 4.064 3.455 5.507 . 0 0 "[ . 1 . 2 .]" 1
357 1 13 TRP HZ3 1 21 LEU HB2 . . 5.000 2.594 2.140 3.636 . 0 0 "[ . 1 . 2 .]" 1
358 1 13 TRP HZ3 1 21 LEU HB3 . . 5.000 3.501 2.763 5.001 0.001 24 0 "[ . 1 . 2 .]" 1
359 1 13 TRP HZ3 1 21 LEU MD2 . . 6.500 2.752 2.385 3.398 . 0 0 "[ . 1 . 2 .]" 1
360 1 13 TRP HZ3 1 42 PHE QD . . 7.000 3.524 2.456 4.374 . 0 0 "[ . 1 . 2 .]" 1
361 1 13 TRP HZ3 1 42 PHE QE . . 6.000 2.459 2.170 3.386 . 0 0 "[ . 1 . 2 .]" 1
362 1 13 TRP HZ3 1 50 LEU HA . . 6.000 4.730 4.221 5.315 . 0 0 "[ . 1 . 2 .]" 1
363 1 13 TRP HZ3 1 50 LEU MD2 . . 6.500 4.122 2.535 5.375 . 0 0 "[ . 1 . 2 .]" 1
364 1 13 TRP HE3 1 14 LEU H . . 5.000 4.172 3.192 4.793 . 0 0 "[ . 1 . 2 .]" 1
365 1 13 TRP HE3 1 17 GLU H . . 5.000 4.876 4.696 5.027 0.027 17 0 "[ . 1 . 2 .]" 1
366 1 13 TRP HE3 1 17 GLU HA . . 5.000 4.523 4.145 4.875 . 0 0 "[ . 1 . 2 .]" 1
367 1 13 TRP HE3 1 17 GLU HB3 . . 4.000 2.580 2.179 3.147 . 0 0 "[ . 1 . 2 .]" 1
368 1 13 TRP HE3 1 17 GLU HB2 . . 4.000 2.595 2.280 3.948 . 0 0 "[ . 1 . 2 .]" 1
369 1 13 TRP HE3 1 17 GLU QG . . 6.000 4.159 3.007 4.711 . 0 0 "[ . 1 . 2 .]" 1
370 1 13 TRP HE3 1 18 ASP H . . 5.000 3.348 2.880 3.830 . 0 0 "[ . 1 . 2 .]" 1
371 1 13 TRP HE3 1 18 ASP HA . . 5.000 3.316 2.767 4.019 . 0 0 "[ . 1 . 2 .]" 1
372 1 13 TRP HE3 1 21 LEU MD2 . . 7.500 3.995 3.528 4.470 . 0 0 "[ . 1 . 2 .]" 1
373 1 13 TRP HE3 1 53 ARG QG . . 7.000 3.621 2.941 4.671 . 0 0 "[ . 1 . 2 .]" 1
374 1 14 LEU H 1 17 GLU HB3 . . 5.000 4.002 2.899 4.886 . 0 0 "[ . 1 . 2 .]" 1
375 1 14 LEU H 1 17 GLU HB2 . . 4.000 2.688 2.136 3.432 . 0 0 "[ . 1 . 2 .]" 1
376 1 14 LEU H 1 17 GLU QG . . 6.000 3.051 2.035 3.838 . 0 0 "[ . 1 . 2 .]" 1
377 1 14 LEU QD 1 15 TRP H . . 8.900 3.375 2.328 3.925 . 0 0 "[ . 1 . 2 .]" 1
378 1 14 LEU QD 1 15 TRP HD1 . . 8.900 3.726 2.638 4.762 . 0 0 "[ . 1 . 2 .]" 1
379 1 14 LEU QB 1 15 TRP HD1 . . 7.000 3.605 2.778 5.199 . 0 0 "[ . 1 . 2 .]" 1
380 1 15 TRP HD1 1 16 GLU H . . 5.000 3.953 3.387 4.628 . 0 0 "[ . 1 . 2 .]" 1
381 1 15 TRP HZ3 1 16 GLU HA . . 5.000 3.625 3.408 4.224 . 0 0 "[ . 1 . 2 .]" 1
382 1 15 TRP HZ3 1 16 GLU QB . . 5.000 3.545 2.648 4.456 . 0 0 "[ . 1 . 2 .]" 1
383 1 15 TRP HZ3 1 16 GLU QG . . 6.000 4.254 2.894 5.354 . 0 0 "[ . 1 . 2 .]" 1
384 1 15 TRP HE3 1 16 GLU H . . 5.000 3.417 2.859 3.705 . 0 0 "[ . 1 . 2 .]" 1
385 1 15 TRP HE3 1 16 GLU HA . . 6.000 2.840 2.545 3.396 . 0 0 "[ . 1 . 2 .]" 1
386 1 15 TRP HE3 1 16 GLU QB . . 5.000 3.536 2.707 4.217 . 0 0 "[ . 1 . 2 .]" 1
387 1 15 TRP HE3 1 16 GLU QG . . 6.000 4.511 3.626 5.335 . 0 0 "[ . 1 . 2 .]" 1
388 1 14 LEU QD 1 16 GLU H . . 8.900 4.076 3.296 4.482 . 0 0 "[ . 1 . 2 .]" 1
389 1 14 LEU QD 1 17 GLU H . . 8.900 4.206 3.748 5.084 . 0 0 "[ . 1 . 2 .]" 1
390 1 16 GLU QG 1 17 GLU H . . 6.000 3.153 1.890 4.244 . 0 0 "[ . 1 . 2 .]" 1
391 1 17 GLU QG 1 18 ASP H . . 7.000 4.061 3.801 4.433 . 0 0 "[ . 1 . 2 .]" 1
392 1 19 LYS QG 1 20 ASN H . . 6.000 3.865 2.433 4.472 . 0 0 "[ . 1 . 2 .]" 1
393 1 17 GLU HA 1 20 ASN QD . . 7.000 3.631 2.139 5.177 . 0 0 "[ . 1 . 2 .]" 1
394 1 20 ASN QD 1 40 TYR QB . . 8.000 3.373 1.900 4.378 . 0 0 "[ . 1 . 2 .]" 1
395 1 20 ASN QD 1 41 LYS H . . 6.000 3.798 2.328 5.094 . 0 0 "[ . 1 . 2 .]" 1
396 1 20 ASN QD 1 41 LYS QB . . 7.000 3.874 2.401 5.561 . 0 0 "[ . 1 . 2 .]" 1
397 1 21 LEU MD1 1 54 TRP HA . . 6.500 4.649 4.200 5.277 . 0 0 "[ . 1 . 2 .]" 1
398 1 21 LEU MD1 1 54 TRP QB . . 7.500 2.777 2.334 3.317 . 0 0 "[ . 1 . 2 .]" 1
399 1 18 ASP HA 1 21 LEU MD2 . . 6.500 3.292 2.849 3.647 . 0 0 "[ . 1 . 2 .]" 1
400 1 21 LEU MD2 1 53 ARG QB . . 6.500 2.723 2.137 3.768 . 0 0 "[ . 1 . 2 .]" 1
401 1 21 LEU MD2 1 53 ARG QG . . 7.500 2.729 1.980 4.214 . 0 0 "[ . 1 . 2 .]" 1
402 1 21 LEU MD2 1 54 TRP HA . . 6.500 3.014 2.570 3.602 . 0 0 "[ . 1 . 2 .]" 1
403 1 21 LEU MD2 1 54 TRP QB . . 7.500 2.259 2.158 2.535 . 0 0 "[ . 1 . 2 .]" 1
404 1 22 ARG HA 1 25 VAL MG1 . . 6.500 4.441 3.980 5.296 . 0 0 "[ . 1 . 2 .]" 1
405 1 22 ARG HA 1 25 VAL MG2 . . 6.500 3.711 3.207 4.379 . 0 0 "[ . 1 . 2 .]" 1
406 1 22 ARG QG 1 23 SER H . . 6.000 3.778 3.258 4.436 . 0 0 "[ . 1 . 2 .]" 1
407 1 24 GLY H 1 25 VAL MG2 . . 7.500 4.532 4.399 4.711 . 0 0 "[ . 1 . 2 .]" 1
408 1 24 GLY H 1 28 TYR QD . . 7.000 5.516 4.858 6.118 . 0 0 "[ . 1 . 2 .]" 1
409 1 24 GLY H 1 36 ILE MG . . 6.500 3.857 3.560 4.126 . 0 0 "[ . 1 . 2 .]" 1
410 1 24 GLY H 1 36 ILE QG . . 6.000 4.557 4.279 4.857 . 0 0 "[ . 1 . 2 .]" 1
411 1 24 GLY H 1 36 ILE MD . . 6.500 4.724 4.320 5.375 . 0 0 "[ . 1 . 2 .]" 1
412 1 24 GLY HA3 1 36 ILE MD . . 6.500 3.165 2.686 3.975 . 0 0 "[ . 1 . 2 .]" 1
413 1 24 GLY HA3 1 36 ILE MG . . 6.500 2.396 2.234 2.788 . 0 0 "[ . 1 . 2 .]" 1
414 1 24 GLY HA2 1 36 ILE MD . . 6.500 4.145 3.580 4.925 . 0 0 "[ . 1 . 2 .]" 1
415 1 24 GLY HA2 1 36 ILE MG . . 6.500 3.587 3.233 4.117 . 0 0 "[ . 1 . 2 .]" 1
416 1 21 LEU MD1 1 25 VAL H . . 6.500 3.742 3.328 4.416 . 0 0 "[ . 1 . 2 .]" 1
417 1 25 VAL H 1 36 ILE QG . . 7.000 3.903 3.546 4.602 . 0 0 "[ . 1 . 2 .]" 1
418 1 25 VAL H 1 36 ILE MD . . 5.000 3.189 2.749 3.636 . 0 0 "[ . 1 . 2 .]" 1
419 1 25 VAL HA 1 36 ILE MD . . 6.500 2.489 2.200 2.836 . 0 0 "[ . 1 . 2 .]" 1
420 1 25 VAL MG1 1 30 GLU HA . . 6.500 2.918 2.309 3.587 . 0 0 "[ . 1 . 2 .]" 1
421 1 25 VAL MG1 1 30 GLU QB . . 7.500 2.960 2.111 4.048 . 0 0 "[ . 1 . 2 .]" 1
422 1 25 VAL MG1 1 30 GLU QG . . 7.500 2.743 1.953 3.980 . 0 0 "[ . 1 . 2 .]" 1
423 1 21 LEU HA 1 25 VAL MG2 . . 6.500 3.870 3.624 4.123 . 0 0 "[ . 1 . 2 .]" 1
424 1 21 LEU MD1 1 25 VAL MG2 . . 6.500 2.443 2.152 3.071 . 0 0 "[ . 1 . 2 .]" 1
425 1 21 LEU MD2 1 25 VAL MG2 . . 8.000 3.887 3.674 4.075 . 0 0 "[ . 1 . 2 .]" 1
426 1 25 VAL MG2 1 30 GLU HA . . 6.500 2.757 2.293 3.518 . 0 0 "[ . 1 . 2 .]" 1
427 1 25 VAL MG2 1 36 ILE MD . . 8.000 2.232 1.955 2.766 . 0 0 "[ . 1 . 2 .]" 1
428 1 25 VAL MG1 1 26 ARG H . . 6.500 3.373 3.119 3.642 . 0 0 "[ . 1 . 2 .]" 1
429 1 25 VAL MG2 1 26 ARG H . . 6.500 4.038 3.984 4.117 . 0 0 "[ . 1 . 2 .]" 1
430 1 26 ARG QD 1 27 LYS H . . 6.000 4.870 4.383 5.354 . 0 0 "[ . 1 . 2 .]" 1
431 1 27 LYS QG 1 28 TYR H . . 7.000 4.026 3.678 4.462 . 0 0 "[ . 1 . 2 .]" 1
432 1 28 TYR H 1 29 GLY QA . . 6.000 4.296 4.116 4.521 . 0 0 "[ . 1 . 2 .]" 1
433 1 28 TYR H 1 36 ILE QG . . 6.000 4.106 3.626 4.649 . 0 0 "[ . 1 . 2 .]" 1
434 1 28 TYR H 1 36 ILE MD . . 6.500 4.300 3.625 4.792 . 0 0 "[ . 1 . 2 .]" 1
435 1 28 TYR QB 1 36 ILE QG . . 7.000 2.748 2.222 3.399 . 0 0 "[ . 1 . 2 .]" 1
436 1 28 TYR QB 1 36 ILE MD . . 6.500 3.260 2.449 3.732 . 0 0 "[ . 1 . 2 .]" 1
437 1 24 GLY HA3 1 28 TYR QD . . 7.000 3.730 3.109 4.172 . 0 0 "[ . 1 . 2 .]" 1
438 1 24 GLY HA2 1 28 TYR QD . . 7.000 2.966 2.316 3.884 . 0 0 "[ . 1 . 2 .]" 1
439 1 27 LYS H 1 28 TYR QD . . 7.000 4.605 3.185 5.242 . 0 0 "[ . 1 . 2 .]" 1
440 1 27 LYS HA 1 28 TYR QD . . 7.000 4.806 4.346 5.018 . 0 0 "[ . 1 . 2 .]" 1
441 1 27 LYS QB 1 28 TYR QD . . 8.000 3.006 2.406 3.558 . 0 0 "[ . 1 . 2 .]" 1
442 1 27 LYS QG 1 28 TYR QD . . 8.000 3.927 2.540 5.030 . 0 0 "[ . 1 . 2 .]" 1
443 1 28 TYR QD 1 29 GLY H . . 7.000 4.584 4.175 4.866 . 0 0 "[ . 1 . 2 .]" 1
444 1 28 TYR QD 1 35 LYS QB . . 8.000 3.679 2.701 5.277 . 0 0 "[ . 1 . 2 .]" 1
445 1 28 TYR QD 1 35 LYS QG . . 8.000 4.172 2.657 5.705 . 0 0 "[ . 1 . 2 .]" 1
446 1 28 TYR QD 1 36 ILE HA . . 7.000 3.119 2.293 4.862 . 0 0 "[ . 1 . 2 .]" 1
447 1 28 TYR QD 1 36 ILE MD . . 8.500 3.736 3.217 4.530 . 0 0 "[ . 1 . 2 .]" 1
448 1 28 TYR QD 1 40 TYR QE . . 8.000 3.801 2.656 4.529 . 0 0 "[ . 1 . 2 .]" 1
449 1 28 TYR QD 1 40 TYR QD . . 9.000 4.341 3.133 5.479 . 0 0 "[ . 1 . 2 .]" 1
450 1 24 GLY QA 1 28 TYR QE . . 8.000 3.134 2.555 3.694 . 0 0 "[ . 1 . 2 .]" 1
451 1 27 LYS HA 1 28 TYR QE . . 6.000 5.358 5.270 5.388 . 0 0 "[ . 1 . 2 .]" 1
452 1 27 LYS QB 1 28 TYR QE . . 8.000 3.083 2.471 3.690 . 0 0 "[ . 1 . 2 .]" 1
453 1 27 LYS QG 1 28 TYR QE . . 8.000 3.524 2.442 4.905 . 0 0 "[ . 1 . 2 .]" 1
454 1 28 TYR QE 1 35 LYS QG . . 9.000 4.835 2.910 6.426 . 0 0 "[ . 1 . 2 .]" 1
455 1 28 TYR QE 1 36 ILE HA . . 7.000 3.419 2.451 5.133 . 0 0 "[ . 1 . 2 .]" 1
456 1 28 TYR QE 1 39 HIS HA . . 8.000 5.393 4.823 6.522 . 0 0 "[ . 1 . 2 .]" 1
457 1 28 TYR QE 1 39 HIS QB . . 8.000 2.682 2.232 3.820 . 0 0 "[ . 1 . 2 .]" 1
458 1 28 TYR QE 1 40 TYR QD . . 9.000 3.188 2.239 4.703 . 0 0 "[ . 1 . 2 .]" 1
459 1 28 TYR QE 1 40 TYR QE . . 9.000 2.518 2.267 3.088 . 0 0 "[ . 1 . 2 .]" 1
460 1 25 VAL HA 1 29 GLY H . . 5.000 2.977 2.463 3.459 . 0 0 "[ . 1 . 2 .]" 1
461 1 25 VAL MG1 1 29 GLY H . . 6.500 3.766 3.369 4.212 . 0 0 "[ . 1 . 2 .]" 1
462 1 25 VAL MG2 1 29 GLY H . . 7.500 4.758 4.295 5.159 . 0 0 "[ . 1 . 2 .]" 1
463 1 29 GLY H 1 36 ILE MD . . 6.500 4.212 3.769 4.866 . 0 0 "[ . 1 . 2 .]" 1
464 1 25 VAL MG1 1 30 GLU H . . 5.500 2.943 2.121 4.058 . 0 0 "[ . 1 . 2 .]" 1
465 1 25 VAL MG2 1 30 GLU H . . 7.500 4.436 3.525 5.430 . 0 0 "[ . 1 . 2 .]" 1
466 1 30 GLU QG 1 31 GLY H . . 6.000 3.385 1.945 4.392 . 0 0 "[ . 1 . 2 .]" 1
467 1 32 ASN H 1 36 ILE MD . . 6.500 3.816 2.996 4.354 . 0 0 "[ . 1 . 2 .]" 1
468 1 28 TYR QB 1 32 ASN QD . . 7.000 3.474 2.127 5.559 . 0 0 "[ . 1 . 2 .]" 1
469 1 29 GLY QA 1 32 ASN QD . . 6.000 3.332 2.716 4.720 . 0 0 "[ . 1 . 2 .]" 1
470 1 33 TRP H 1 36 ILE MD . . 6.500 4.020 3.649 4.380 . 0 0 "[ . 1 . 2 .]" 1
471 1 33 TRP HD1 1 47 SER QB . . 6.000 3.454 2.345 5.072 . 0 0 "[ . 1 . 2 .]" 1
472 1 33 TRP HD1 1 51 LYS QB . . 7.000 3.605 2.921 4.272 . 0 0 "[ . 1 . 2 .]" 1
473 1 31 GLY H 1 33 TRP HE1 . . 5.000 3.756 2.666 4.619 . 0 0 "[ . 1 . 2 .]" 1
474 1 31 GLY QA 1 33 TRP HE1 . . 5.000 2.660 2.480 3.015 . 0 0 "[ . 1 . 2 .]" 1
475 1 33 TRP HE1 1 51 LYS QB . . 5.000 2.922 2.476 3.303 . 0 0 "[ . 1 . 2 .]" 1
476 1 30 GLU HA 1 33 TRP HZ2 . . 5.000 4.486 3.491 5.017 0.017 7 0 "[ . 1 . 2 .]" 1
477 1 30 GLU QB 1 33 TRP HZ2 . . 7.000 3.768 2.458 5.186 . 0 0 "[ . 1 . 2 .]" 1
478 1 30 GLU QG 1 33 TRP HZ2 . . 6.000 3.848 2.213 5.360 . 0 0 "[ . 1 . 2 .]" 1
479 1 31 GLY H 1 33 TRP HZ2 . . 4.000 3.005 2.608 4.017 0.017 14 0 "[ . 1 . 2 .]" 1
480 1 31 GLY QA 1 33 TRP HZ2 . . 6.000 3.579 2.990 4.164 . 0 0 "[ . 1 . 2 .]" 1
481 1 33 TRP HZ2 1 51 LYS HA . . 5.000 3.035 2.537 3.366 . 0 0 "[ . 1 . 2 .]" 1
482 1 33 TRP HZ2 1 51 LYS QG . . 5.000 3.330 2.479 4.505 . 0 0 "[ . 1 . 2 .]" 1
483 1 33 TRP HZ2 1 54 TRP QB . . 6.000 4.034 3.238 4.436 . 0 0 "[ . 1 . 2 .]" 1
484 1 21 LEU MD1 1 33 TRP HH2 . . 7.500 4.164 3.593 4.863 . 0 0 "[ . 1 . 2 .]" 1
485 1 25 VAL MG1 1 33 TRP HH2 . . 7.500 4.213 3.743 4.815 . 0 0 "[ . 1 . 2 .]" 1
486 1 25 VAL MG2 1 33 TRP HH2 . . 6.500 3.163 2.457 3.629 . 0 0 "[ . 1 . 2 .]" 1
487 1 30 GLU HA 1 33 TRP HH2 . . 5.000 3.776 3.251 4.223 . 0 0 "[ . 1 . 2 .]" 1
488 1 30 GLU QG 1 33 TRP HH2 . . 6.000 3.229 2.256 5.146 . 0 0 "[ . 1 . 2 .]" 1
489 1 31 GLY H 1 33 TRP HH2 . . 5.000 3.696 3.246 4.599 . 0 0 "[ . 1 . 2 .]" 1
490 1 33 TRP HH2 1 51 LYS HA . . 4.000 3.385 2.769 4.020 0.020 20 0 "[ . 1 . 2 .]" 1
491 1 33 TRP HH2 1 54 TRP H . . 5.000 4.912 4.738 5.012 0.012 16 0 "[ . 1 . 2 .]" 1
492 1 33 TRP HH2 1 54 TRP QB . . 5.000 2.569 2.400 2.734 . 0 0 "[ . 1 . 2 .]" 1
493 1 21 LEU MD1 1 33 TRP HZ3 . . 5.500 2.384 2.193 2.935 . 0 0 "[ . 1 . 2 .]" 1
494 1 21 LEU MD2 1 33 TRP HZ3 . . 6.500 4.058 3.774 4.409 . 0 0 "[ . 1 . 2 .]" 1
495 1 25 VAL MG1 1 33 TRP HZ3 . . 6.500 4.389 3.979 4.786 . 0 0 "[ . 1 . 2 .]" 1
496 1 25 VAL MG2 1 33 TRP HZ3 . . 5.500 2.399 2.171 2.720 . 0 0 "[ . 1 . 2 .]" 1
497 1 30 GLU HA 1 33 TRP HZ3 . . 5.000 4.105 3.393 4.915 . 0 0 "[ . 1 . 2 .]" 1
498 1 33 TRP HZ3 1 36 ILE MD . . 5.500 2.988 2.519 3.834 . 0 0 "[ . 1 . 2 .]" 1
499 1 33 TRP HZ3 1 51 LYS HA . . 5.000 4.158 3.649 4.809 . 0 0 "[ . 1 . 2 .]" 1
500 1 33 TRP HZ3 1 54 TRP QB . . 6.000 3.101 2.627 3.559 . 0 0 "[ . 1 . 2 .]" 1
501 1 21 LEU MD1 1 33 TRP HE3 . . 6.500 3.188 2.812 3.478 . 0 0 "[ . 1 . 2 .]" 1
502 1 25 VAL MG2 1 33 TRP HE3 . . 6.500 3.867 3.578 4.178 . 0 0 "[ . 1 . 2 .]" 1
503 1 33 TRP HE3 1 36 ILE HB . . 5.000 3.484 3.141 4.139 . 0 0 "[ . 1 . 2 .]" 1
504 1 33 TRP HE3 1 36 ILE MG . . 6.500 3.541 3.053 4.253 . 0 0 "[ . 1 . 2 .]" 1
505 1 33 TRP HE3 1 36 ILE MD . . 5.500 2.490 2.259 3.144 . 0 0 "[ . 1 . 2 .]" 1
506 1 33 TRP HE3 1 50 LEU HB2 . . 5.000 3.597 3.289 4.005 . 0 0 "[ . 1 . 2 .]" 1
507 1 33 TRP HE3 1 50 LEU HB3 . . 5.000 2.590 2.385 2.923 . 0 0 "[ . 1 . 2 .]" 1
508 1 33 TRP HE3 1 50 LEU MD1 . . 6.500 4.015 2.886 4.932 . 0 0 "[ . 1 . 2 .]" 1
509 1 33 TRP HE3 1 50 LEU MD2 . . 6.500 3.138 2.251 4.318 . 0 0 "[ . 1 . 2 .]" 1
510 1 35 LYS H 1 36 ILE HB . . 5.000 4.766 4.639 4.949 . 0 0 "[ . 1 . 2 .]" 1
511 1 35 LYS H 1 36 ILE QG . . 6.000 4.521 4.313 4.660 . 0 0 "[ . 1 . 2 .]" 1
512 1 36 ILE QG 1 37 LEU H . . 6.000 4.189 4.076 4.365 . 0 0 "[ . 1 . 2 .]" 1
513 1 36 ILE MG 1 37 LEU H . . 6.500 3.111 2.920 3.360 . 0 0 "[ . 1 . 2 .]" 1
514 1 37 LEU H 1 50 LEU MD1 . . 6.500 4.034 2.718 5.410 . 0 0 "[ . 1 . 2 .]" 1
515 1 37 LEU H 1 50 LEU MD2 . . 6.500 3.966 2.822 5.298 . 0 0 "[ . 1 . 2 .]" 1
516 1 38 LEU QD 1 39 HIS H . . 8.900 3.996 3.537 4.286 . 0 0 "[ . 1 . 2 .]" 1
517 1 35 LYS HA 1 39 HIS HD2 . . 5.000 3.675 2.225 4.526 . 0 0 "[ . 1 . 2 .]" 1
518 1 35 LYS QB 1 39 HIS HD2 . . 7.000 3.958 2.232 5.959 . 0 0 "[ . 1 . 2 .]" 1
519 1 35 LYS QG 1 39 HIS HD2 . . 6.000 4.004 2.257 5.361 . 0 0 "[ . 1 . 2 .]" 1
520 1 35 LYS QE 1 39 HIS HD2 . . 7.000 4.981 2.874 6.249 . 0 0 "[ . 1 . 2 .]" 1
521 1 36 ILE HA 1 39 HIS HD2 . . 6.000 4.680 2.587 6.016 0.016 14 0 "[ . 1 . 2 .]" 1
522 1 38 LEU H 1 39 HIS HD2 . . 5.000 4.672 3.860 5.028 0.028 10 0 "[ . 1 . 2 .]" 1
523 1 38 LEU QB 1 39 HIS HD2 . . 6.000 3.162 2.005 4.716 . 0 0 "[ . 1 . 2 .]" 1
524 1 38 LEU QD 1 39 HIS HD2 . . 8.900 4.116 2.225 5.598 . 0 0 "[ . 1 . 2 .]" 1
525 1 35 LYS QB 1 39 HIS HE1 . . 7.000 4.922 2.507 6.248 . 0 0 "[ . 1 . 2 .]" 1
526 1 35 LYS QG 1 39 HIS HE1 . . 7.000 4.145 2.492 6.243 . 0 0 "[ . 1 . 2 .]" 1
527 1 38 LEU QB 1 39 HIS HE1 . . 6.000 5.117 4.101 5.378 . 0 0 "[ . 1 . 2 .]" 1
528 1 38 LEU QD 1 39 HIS HE1 . . 8.900 5.219 3.047 6.596 . 0 0 "[ . 1 . 2 .]" 1
529 1 20 ASN HA 1 40 TYR QD . . 7.000 3.541 2.624 5.267 . 0 0 "[ . 1 . 2 .]" 1
530 1 20 ASN QB 1 40 TYR QD . . 8.000 3.369 2.524 4.850 . 0 0 "[ . 1 . 2 .]" 1
531 1 20 ASN QD 1 40 TYR QD . . 9.000 3.602 2.114 4.865 . 0 0 "[ . 1 . 2 .]" 1
532 1 23 SER QB 1 40 TYR QD . . 8.000 4.335 3.540 5.419 . 0 0 "[ . 1 . 2 .]" 1
533 1 24 GLY HA3 1 40 TYR QD . . 7.000 3.475 2.723 4.203 . 0 0 "[ . 1 . 2 .]" 1
534 1 24 GLY HA2 1 40 TYR QD . . 8.000 3.397 2.421 4.557 . 0 0 "[ . 1 . 2 .]" 1
535 1 36 ILE HA 1 40 TYR QD . . 6.000 3.074 2.463 4.425 . 0 0 "[ . 1 . 2 .]" 1
536 1 36 ILE QG 1 40 TYR QD . . 8.500 3.972 3.588 4.592 . 0 0 "[ . 1 . 2 .]" 1
537 1 36 ILE MG 1 40 TYR QD . . 7.500 2.928 2.362 3.475 . 0 0 "[ . 1 . 2 .]" 1
538 1 36 ILE MD 1 40 TYR QD . . 9.500 5.219 4.894 5.832 . 0 0 "[ . 1 . 2 .]" 1
539 1 39 HIS QB 1 40 TYR QD . . 9.000 2.971 2.439 3.774 . 0 0 "[ . 1 . 2 .]" 1
540 1 23 SER HA 1 40 TYR QE . . 7.000 5.250 4.343 6.242 . 0 0 "[ . 1 . 2 .]" 1
541 1 23 SER QB 1 40 TYR QE . . 8.000 3.233 2.480 4.239 . 0 0 "[ . 1 . 2 .]" 1
542 1 24 GLY H 1 40 TYR QE . . 6.000 3.848 2.896 4.355 . 0 0 "[ . 1 . 2 .]" 1
543 1 24 GLY HA3 1 40 TYR QE . . 7.000 3.479 2.415 4.135 . 0 0 "[ . 1 . 2 .]" 1
544 1 24 GLY HA2 1 40 TYR QE . . 7.000 2.351 2.183 2.613 . 0 0 "[ . 1 . 2 .]" 1
545 1 27 LYS QB 1 40 TYR QE . . 8.000 3.484 2.441 4.566 . 0 0 "[ . 1 . 2 .]" 1
546 1 27 LYS QG 1 40 TYR QE . . 8.000 4.294 2.570 6.075 . 0 0 "[ . 1 . 2 .]" 1
547 1 27 LYS QE 1 40 TYR QE . . 8.000 4.453 2.460 6.350 . 0 0 "[ . 1 . 2 .]" 1
548 1 36 ILE HA 1 40 TYR QE . . 7.000 4.334 3.063 5.403 . 0 0 "[ . 1 . 2 .]" 1
549 1 36 ILE MG 1 40 TYR QE . . 7.500 4.236 2.865 5.109 . 0 0 "[ . 1 . 2 .]" 1
550 1 36 ILE MD 1 40 TYR QE . . 9.500 5.580 4.551 6.638 . 0 0 "[ . 1 . 2 .]" 1
551 1 39 HIS QB 1 40 TYR QE . . 8.000 3.631 2.723 4.047 . 0 0 "[ . 1 . 2 .]" 1
552 1 41 LYS QG 1 42 PHE H . . 6.000 3.791 2.170 4.677 . 0 0 "[ . 1 . 2 .]" 1
553 1 17 GLU QG 1 42 PHE HA . . 6.000 3.203 2.223 4.689 . 0 0 "[ . 1 . 2 .]" 1
554 1 17 GLU HA 1 42 PHE QD . . 6.000 3.308 2.538 4.492 . 0 0 "[ . 1 . 2 .]" 1
555 1 17 GLU QG 1 42 PHE QD . . 7.000 3.117 2.243 4.312 . 0 0 "[ . 1 . 2 .]" 1
556 1 21 LEU H 1 42 PHE QD . . 7.000 5.147 4.489 5.779 . 0 0 "[ . 1 . 2 .]" 1
557 1 37 LEU HA 1 42 PHE QD . . 6.000 2.513 2.274 3.131 . 0 0 "[ . 1 . 2 .]" 1
558 1 37 LEU QD 1 42 PHE QD . . 10.900 2.799 2.153 4.421 . 0 0 "[ . 1 . 2 .]" 1
559 1 42 PHE QD 1 43 ASN H . . 6.000 3.726 3.349 4.073 . 0 0 "[ . 1 . 2 .]" 1
560 1 42 PHE QD 1 45 ARG QB . . 8.000 3.275 2.432 3.786 . 0 0 "[ . 1 . 2 .]" 1
561 1 42 PHE QD 1 45 ARG QG . . 8.000 2.731 2.210 3.618 . 0 0 "[ . 1 . 2 .]" 1
562 1 42 PHE QD 1 50 LEU MD1 . . 8.500 3.736 2.836 4.433 . 0 0 "[ . 1 . 2 .]" 1
563 1 42 PHE QD 1 50 LEU MD2 . . 8.500 3.458 3.012 3.966 . 0 0 "[ . 1 . 2 .]" 1
564 1 17 GLU HA 1 42 PHE QE . . 6.000 3.334 2.731 4.529 . 0 0 "[ . 1 . 2 .]" 1
565 1 20 ASN QB 1 42 PHE QE . . 7.000 3.116 2.661 4.877 . 0 0 "[ . 1 . 2 .]" 1
566 1 21 LEU HB3 1 42 PHE QE . . 6.000 3.811 3.296 4.489 . 0 0 "[ . 1 . 2 .]" 1
567 1 21 LEU HB2 1 42 PHE QE . . 6.000 2.392 2.106 3.154 . 0 0 "[ . 1 . 2 .]" 1
568 1 21 LEU MD1 1 42 PHE QE . . 7.500 3.425 2.483 4.135 . 0 0 "[ . 1 . 2 .]" 1
569 1 21 LEU MD2 1 42 PHE QE . . 8.500 3.821 3.393 4.307 . 0 0 "[ . 1 . 2 .]" 1
570 1 36 ILE MG 1 42 PHE QE . . 7.500 2.247 2.113 2.420 . 0 0 "[ . 1 . 2 .]" 1
571 1 37 LEU HA 1 42 PHE QE . . 6.000 2.781 2.338 3.635 . 0 0 "[ . 1 . 2 .]" 1
572 1 37 LEU QD 1 42 PHE QE . . 10.900 3.957 2.663 5.057 . 0 0 "[ . 1 . 2 .]" 1
573 1 40 TYR HA 1 42 PHE QE . . 7.000 5.018 4.642 5.501 . 0 0 "[ . 1 . 2 .]" 1
574 1 40 TYR QB 1 42 PHE QE . . 7.000 2.401 2.153 3.000 . 0 0 "[ . 1 . 2 .]" 1
575 1 40 TYR QD 1 42 PHE QE . . 9.000 3.877 2.419 4.855 . 0 0 "[ . 1 . 2 .]" 1
576 1 42 PHE QE 1 50 LEU MD1 . . 8.500 3.768 3.095 4.567 . 0 0 "[ . 1 . 2 .]" 1
577 1 42 PHE QE 1 50 LEU MD2 . . 7.500 2.860 2.536 3.345 . 0 0 "[ . 1 . 2 .]" 1
578 1 20 ASN QB 1 42 PHE HZ . . 6.000 3.287 2.605 4.888 . 0 0 "[ . 1 . 2 .]" 1
579 1 21 LEU H 1 42 PHE HZ . . 4.000 3.388 2.829 4.001 0.001 6 0 "[ . 1 . 2 .]" 1
580 1 21 LEU HA 1 42 PHE HZ . . 3.000 2.302 2.133 2.582 . 0 0 "[ . 1 . 2 .]" 1
581 1 21 LEU HB3 1 42 PHE HZ . . 5.000 4.331 3.838 4.888 . 0 0 "[ . 1 . 2 .]" 1
582 1 21 LEU HB2 1 42 PHE HZ . . 5.000 2.960 2.473 3.669 . 0 0 "[ . 1 . 2 .]" 1
583 1 21 LEU HG 1 42 PHE HZ . . 5.000 5.021 4.929 5.058 0.058 25 0 "[ . 1 . 2 .]" 1
584 1 21 LEU MD1 1 42 PHE HZ . . 5.000 3.059 2.557 3.545 . 0 0 "[ . 1 . 2 .]" 1
585 1 21 LEU MD2 1 42 PHE HZ . . 6.500 4.570 4.044 5.192 . 0 0 "[ . 1 . 2 .]" 1
586 1 36 ILE MG 1 42 PHE HZ . . 5.000 2.568 2.161 3.445 . 0 0 "[ . 1 . 2 .]" 1
587 1 40 TYR QB 1 42 PHE HZ . . 6.000 3.587 2.968 4.315 . 0 0 "[ . 1 . 2 .]" 1
588 1 42 PHE HZ 1 50 LEU MD1 . . 7.500 4.448 3.650 5.259 . 0 0 "[ . 1 . 2 .]" 1
589 1 42 PHE HZ 1 50 LEU MD2 . . 6.500 3.032 2.567 3.942 . 0 0 "[ . 1 . 2 .]" 1
590 1 17 GLU QG 1 43 ASN H . . 6.000 3.170 2.294 3.931 . 0 0 "[ . 1 . 2 .]" 1
591 1 43 ASN H 1 45 ARG QG . . 6.000 3.625 2.577 5.360 . 0 0 "[ . 1 . 2 .]" 1
592 1 14 LEU HG 1 43 ASN QD . . 7.000 4.123 2.762 6.234 . 0 0 "[ . 1 . 2 .]" 1
593 1 14 LEU QD 1 43 ASN QD . . 9.900 2.877 2.120 4.346 . 0 0 "[ . 1 . 2 .]" 1
594 1 37 LEU QD 1 45 ARG H . . 8.900 3.462 2.425 4.572 . 0 0 "[ . 1 . 2 .]" 1
595 1 42 PHE HB3 1 45 ARG H . . 5.000 3.185 2.443 4.186 . 0 0 "[ . 1 . 2 .]" 1
596 1 42 PHE HB2 1 45 ARG H . . 5.000 3.417 2.760 4.278 . 0 0 "[ . 1 . 2 .]" 1
597 1 13 TRP HA 1 45 ARG HE . . 6.000 4.043 2.821 6.021 0.021 4 0 "[ . 1 . 2 .]" 1
598 1 43 ASN H 1 45 ARG HE . . 6.000 4.036 2.291 5.902 . 0 0 "[ . 1 . 2 .]" 1
599 1 45 ARG QD 1 46 THR H . . 5.000 3.945 3.136 4.479 . 0 0 "[ . 1 . 2 .]" 1
600 1 46 THR H 1 49 MET QB . . 5.000 2.196 1.854 2.778 . 0 0 "[ . 1 . 2 .]" 1
601 1 46 THR H 1 49 MET QG . . 6.000 3.379 2.356 4.374 . 0 0 "[ . 1 . 2 .]" 1
602 1 37 LEU QD 1 46 THR HA . . 8.900 2.919 2.233 3.895 . 0 0 "[ . 1 . 2 .]" 1
603 1 37 LEU QD 1 47 SER H . . 8.900 3.428 2.582 4.629 . 0 0 "[ . 1 . 2 .]" 1
604 1 46 THR MG 1 47 SER H . . 6.500 3.811 3.702 3.887 . 0 0 "[ . 1 . 2 .]" 1
605 1 33 TRP HB3 1 47 SER HA . . 4.000 2.464 2.267 2.858 . 0 0 "[ . 1 . 2 .]" 1
606 1 33 TRP HB2 1 47 SER HA . . 4.000 3.241 2.735 3.928 . 0 0 "[ . 1 . 2 .]" 1
607 1 33 TRP HB3 1 47 SER QB . . 5.000 3.262 2.447 4.176 . 0 0 "[ . 1 . 2 .]" 1
608 1 33 TRP HB2 1 47 SER QB . . 6.000 2.747 2.271 3.773 . 0 0 "[ . 1 . 2 .]" 1
609 1 46 THR MG 1 48 VAL H . . 6.500 4.326 4.144 4.575 . 0 0 "[ . 1 . 2 .]" 1
610 1 46 THR MG 1 49 MET H . . 6.500 4.027 3.959 4.086 . 0 0 "[ . 1 . 2 .]" 1
611 1 48 VAL MG1 1 49 MET H . . 6.500 3.431 2.158 4.139 . 0 0 "[ . 1 . 2 .]" 1
612 1 48 VAL MG2 1 49 MET H . . 6.500 3.601 2.238 3.904 . 0 0 "[ . 1 . 2 .]" 1
613 1 46 THR MG 1 49 MET ME . . 8.000 4.175 2.190 5.550 . 0 0 "[ . 1 . 2 .]" 1
614 1 49 MET QG 1 50 LEU H . . 5.000 4.120 3.672 4.464 . 0 0 "[ . 1 . 2 .]" 1
615 1 33 TRP HB2 1 50 LEU MD1 . . 6.500 4.594 3.487 5.985 . 0 0 "[ . 1 . 2 .]" 1
616 1 33 TRP HB3 1 50 LEU MD1 . . 7.500 3.272 2.177 4.529 . 0 0 "[ . 1 . 2 .]" 1
617 1 36 ILE HB 1 50 LEU MD1 . . 6.500 4.191 2.513 5.416 . 0 0 "[ . 1 . 2 .]" 1
618 1 36 ILE MG 1 50 LEU MD1 . . 8.000 3.503 2.455 4.256 . 0 0 "[ . 1 . 2 .]" 1
619 1 37 LEU HA 1 50 LEU MD1 . . 6.500 3.710 2.732 4.865 . 0 0 "[ . 1 . 2 .]" 1
620 1 37 LEU QD 1 50 LEU MD1 . . 10.400 2.292 1.946 3.170 . 0 0 "[ . 1 . 2 .]" 1
621 1 47 SER HA 1 50 LEU MD1 . . 5.500 2.654 2.189 3.666 . 0 0 "[ . 1 . 2 .]" 1
622 1 47 SER QB 1 50 LEU MD1 . . 7.500 4.274 3.608 5.049 . 0 0 "[ . 1 . 2 .]" 1
623 1 21 LEU MD1 1 50 LEU MD2 . . 8.000 2.190 1.953 2.845 . 0 0 "[ . 1 . 2 .]" 1
624 1 21 LEU MD2 1 50 LEU MD2 . . 9.000 3.428 2.281 4.640 . 0 0 "[ . 1 . 2 .]" 1
625 1 36 ILE HB 1 50 LEU MD2 . . 6.500 3.431 2.554 4.559 . 0 0 "[ . 1 . 2 .]" 1
626 1 36 ILE MG 1 50 LEU MD2 . . 8.000 2.354 2.015 2.805 . 0 0 "[ . 1 . 2 .]" 1
627 1 37 LEU QD 1 50 LEU MD2 . . 10.400 3.200 2.004 4.062 . 0 0 "[ . 1 . 2 .]" 1
628 1 37 LEU HA 1 50 LEU MD2 . . 7.500 3.698 2.707 4.767 . 0 0 "[ . 1 . 2 .]" 1
629 1 50 LEU HG 1 51 LYS H . . 5.000 4.661 4.344 5.007 0.007 2 0 "[ . 1 . 2 .]" 1
630 1 50 LEU MD1 1 51 LYS H . . 6.500 4.239 4.102 4.433 . 0 0 "[ . 1 . 2 .]" 1
631 1 50 LEU MD2 1 51 LYS H . . 6.500 4.651 4.405 4.805 . 0 0 "[ . 1 . 2 .]" 1
632 1 51 LYS QG 1 52 ASP H . . 6.000 3.115 2.104 4.051 . 0 0 "[ . 1 . 2 .]" 1
633 1 13 TRP HA 1 53 ARG HE . . 6.000 5.509 4.892 6.005 0.005 2 0 "[ . 1 . 2 .]" 1
634 1 13 TRP HB2 1 53 ARG HE . . 5.000 3.622 2.573 5.001 0.001 3 0 "[ . 1 . 2 .]" 1
635 1 13 TRP HB3 1 53 ARG HE . . 5.000 3.237 2.597 3.812 . 0 0 "[ . 1 . 2 .]" 1
636 1 13 TRP HE3 1 53 ARG HE . . 5.000 3.505 2.736 5.014 0.014 8 0 "[ . 1 . 2 .]" 1
637 1 21 LEU MD2 1 53 ARG HE . . 7.500 3.926 3.297 5.873 . 0 0 "[ . 1 . 2 .]" 1
638 1 21 LEU MD2 1 54 TRP H . . 6.500 2.946 2.531 3.338 . 0 0 "[ . 1 . 2 .]" 1
639 1 53 ARG QG 1 54 TRP H . . 6.000 3.672 2.361 4.570 . 0 0 "[ . 1 . 2 .]" 1
640 1 25 VAL MG1 1 54 TRP HD1 . . 6.500 4.216 3.757 4.706 . 0 0 "[ . 1 . 2 .]" 1
641 1 25 VAL MG2 1 54 TRP HD1 . . 6.500 3.964 3.605 4.472 . 0 0 "[ . 1 . 2 .]" 1
642 1 30 GLU HA 1 54 TRP HD1 . . 6.000 5.168 4.580 5.615 . 0 0 "[ . 1 . 2 .]" 1
643 1 30 GLU QB 1 54 TRP HD1 . . 6.000 4.110 2.795 5.356 . 0 0 "[ . 1 . 2 .]" 1
644 1 30 GLU QG 1 54 TRP HD1 . . 6.000 3.358 2.246 4.860 . 0 0 "[ . 1 . 2 .]" 1
645 1 33 TRP HZ2 1 54 TRP HD1 . . 5.000 3.860 2.760 4.333 . 0 0 "[ . 1 . 2 .]" 1
646 1 33 TRP HZ3 1 54 TRP HD1 . . 5.000 4.531 4.036 5.006 0.006 17 0 "[ . 1 . 2 .]" 1
647 1 33 TRP HH2 1 54 TRP HD1 . . 3.000 2.467 2.195 2.744 . 0 0 "[ . 1 . 2 .]" 1
648 1 54 TRP HD1 1 55 ARG HA . . 5.000 3.900 3.514 4.464 . 0 0 "[ . 1 . 2 .]" 1
649 1 54 TRP HD1 1 58 LYS QG . . 6.000 4.624 2.958 5.364 . 0 0 "[ . 1 . 2 .]" 1
650 1 54 TRP HD1 1 58 LYS QD . . 6.000 3.614 2.435 5.350 . 0 0 "[ . 1 . 2 .]" 1
651 1 25 VAL MG1 1 54 TRP HE1 . . 6.500 2.774 2.411 3.330 . 0 0 "[ . 1 . 2 .]" 1
652 1 25 VAL MG2 1 54 TRP HE1 . . 6.500 3.754 3.181 4.296 . 0 0 "[ . 1 . 2 .]" 1
653 1 30 GLU QB 1 54 TRP HE1 . . 6.000 3.790 2.521 4.993 . 0 0 "[ . 1 . 2 .]" 1
654 1 30 GLU QG 1 54 TRP HE1 . . 6.000 3.044 2.386 3.853 . 0 0 "[ . 1 . 2 .]" 1
655 1 33 TRP HH2 1 54 TRP HE1 . . 5.000 4.184 3.797 4.529 . 0 0 "[ . 1 . 2 .]" 1
656 1 54 TRP HE1 1 58 LYS QG . . 6.000 4.127 2.622 5.344 . 0 0 "[ . 1 . 2 .]" 1
657 1 54 TRP HE1 1 58 LYS QD . . 6.000 2.844 2.139 4.899 . 0 0 "[ . 1 . 2 .]" 1
658 1 22 ARG HA 1 54 TRP HZ2 . . 6.000 5.036 4.202 6.010 0.010 7 0 "[ . 1 . 2 .]" 1
659 1 25 VAL HB 1 54 TRP HZ2 . . 5.000 3.903 3.168 4.900 . 0 0 "[ . 1 . 2 .]" 1
660 1 25 VAL MG1 1 54 TRP HZ2 . . 5.500 2.607 2.210 2.927 . 0 0 "[ . 1 . 2 .]" 1
661 1 25 VAL MG2 1 54 TRP HZ2 . . 6.500 3.988 3.404 4.517 . 0 0 "[ . 1 . 2 .]" 1
662 1 54 TRP HZ2 1 58 LYS QE . . 6.000 4.581 2.438 5.366 . 0 0 "[ . 1 . 2 .]" 1
663 1 54 TRP HZ2 1 63 ILE MD . . 6.500 3.490 2.200 5.418 . 0 0 "[ . 1 . 2 .]" 1
664 1 54 TRP HZ2 1 63 ILE MG . . 6.500 3.910 2.514 5.422 . 0 0 "[ . 1 . 2 .]" 1
665 1 22 ARG HA 1 54 TRP HH2 . . 5.000 3.290 2.456 4.543 . 0 0 "[ . 1 . 2 .]" 1
666 1 22 ARG QB 1 54 TRP HH2 . . 6.000 4.115 3.098 5.350 . 0 0 "[ . 1 . 2 .]" 1
667 1 22 ARG QG 1 54 TRP HH2 . . 6.000 2.909 2.282 4.923 . 0 0 "[ . 1 . 2 .]" 1
668 1 22 ARG QD 1 54 TRP HH2 . . 7.000 3.971 2.181 6.168 . 0 0 "[ . 1 . 2 .]" 1
669 1 25 VAL HB 1 54 TRP HH2 . . 5.000 3.829 3.001 4.899 . 0 0 "[ . 1 . 2 .]" 1
670 1 25 VAL MG1 1 54 TRP HH2 . . 6.500 3.813 3.306 4.316 . 0 0 "[ . 1 . 2 .]" 1
671 1 25 VAL MG2 1 54 TRP HH2 . . 6.500 4.450 3.949 4.983 . 0 0 "[ . 1 . 2 .]" 1
672 1 54 TRP HH2 1 63 ILE MD . . 6.500 2.897 2.261 4.178 . 0 0 "[ . 1 . 2 .]" 1
673 1 54 TRP HH2 1 63 ILE MG . . 6.500 3.515 2.266 5.417 . 0 0 "[ . 1 . 2 .]" 1
674 1 21 LEU MD2 1 54 TRP HZ3 . . 6.500 4.121 3.426 5.328 . 0 0 "[ . 1 . 2 .]" 1
675 1 22 ARG HA 1 54 TRP HZ3 . . 5.000 2.620 2.203 3.640 . 0 0 "[ . 1 . 2 .]" 1
676 1 22 ARG QB 1 54 TRP HZ3 . . 5.000 2.967 2.287 3.913 . 0 0 "[ . 1 . 2 .]" 1
677 1 22 ARG QG 1 54 TRP HZ3 . . 5.000 2.923 2.162 4.203 . 0 0 "[ . 1 . 2 .]" 1
678 1 22 ARG QD 1 54 TRP HZ3 . . 7.000 3.775 2.154 5.186 . 0 0 "[ . 1 . 2 .]" 1
679 1 54 TRP HZ3 1 57 MET ME . . 6.500 3.857 2.626 5.414 . 0 0 "[ . 1 . 2 .]" 1
680 1 54 TRP HZ3 1 63 ILE MD . . 7.500 3.502 2.196 5.641 . 0 0 "[ . 1 . 2 .]" 1
681 1 54 TRP HZ3 1 63 ILE MG . . 7.500 4.532 2.723 6.247 . 0 0 "[ . 1 . 2 .]" 1
682 1 21 LEU HG 1 54 TRP HE3 . . 5.000 2.736 2.358 3.778 . 0 0 "[ . 1 . 2 .]" 1
683 1 21 LEU MD1 1 54 TRP HE3 . . 6.500 3.844 3.396 4.970 . 0 0 "[ . 1 . 2 .]" 1
684 1 21 LEU MD2 1 54 TRP HE3 . . 6.500 2.570 2.127 3.586 . 0 0 "[ . 1 . 2 .]" 1
685 1 25 VAL MG2 1 54 TRP HE3 . . 6.500 3.688 3.320 4.066 . 0 0 "[ . 1 . 2 .]" 1
686 1 54 TRP HE3 1 57 MET ME . . 6.500 3.690 2.268 5.415 . 0 0 "[ . 1 . 2 .]" 1
687 1 55 ARG QG 1 56 THR H . . 6.000 3.727 2.433 4.482 . 0 0 "[ . 1 . 2 .]" 1
688 1 56 THR MG 1 57 MET H . . 6.500 3.263 2.200 3.822 . 0 0 "[ . 1 . 2 .]" 1
689 1 57 MET QG 1 58 LYS H . . 6.000 3.685 2.210 4.550 . 0 0 "[ . 1 . 2 .]" 1
690 1 58 LYS H 1 63 ILE MG . . 7.500 5.184 3.303 6.264 . 0 0 "[ . 1 . 2 .]" 1
691 1 58 LYS HA 1 63 ILE HA . . 5.000 4.783 3.580 5.038 0.038 7 0 "[ . 1 . 2 .]" 1
692 1 58 LYS HA 1 63 ILE MG . . 6.500 3.764 2.148 5.403 . 0 0 "[ . 1 . 2 .]" 1
693 1 58 LYS HA 1 63 ILE MD . . 6.500 3.757 2.131 5.430 . 0 0 "[ . 1 . 2 .]" 1
694 1 58 LYS QG 1 59 LYS H . . 6.000 3.699 2.302 4.448 . 0 0 "[ . 1 . 2 .]" 1
695 1 59 LYS QG 1 60 LEU H . . 7.000 3.880 2.435 4.550 . 0 0 "[ . 1 . 2 .]" 1
696 1 60 LEU HG 1 61 LYS H . . 5.000 4.568 2.765 5.033 0.033 21 0 "[ . 1 . 2 .]" 1
697 1 60 LEU QD 1 61 LYS H . . 8.900 4.081 3.079 4.526 . 0 0 "[ . 1 . 2 .]" 1
698 1 61 LYS QG 1 62 LEU H . . 6.000 4.088 2.949 4.720 . 0 0 "[ . 1 . 2 .]" 1
699 1 57 MET HA 1 62 LEU H . . 5.000 4.180 2.898 5.035 0.035 1 0 "[ . 1 . 2 .]" 1
700 1 58 LYS HA 1 63 ILE H . . 6.000 3.514 1.900 4.997 . 0 0 "[ . 1 . 2 .]" 1
701 1 62 LEU HG 1 63 ILE H . . 6.000 4.553 2.853 6.011 0.011 12 0 "[ . 1 . 2 .]" 1
702 1 62 LEU QD 1 63 ILE H . . 9.900 3.941 3.116 4.534 . 0 0 "[ . 1 . 2 .]" 1
703 1 63 ILE MG 1 64 SER H . . 7.500 3.220 1.914 4.210 . 0 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 36
_Distance_constraint_stats_list.Viol_count 116
_Distance_constraint_stats_list.Viol_total 101.237
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0349
_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 14 LEU 0.241 0.112 4 0 "[ . 1 . 2 .]"
1 15 TRP 0.300 0.097 21 0 "[ . 1 . 2 .]"
1 17 GLU 0.033 0.017 3 0 "[ . 1 . 2 .]"
1 18 ASP 0.256 0.112 4 0 "[ . 1 . 2 .]"
1 19 LYS 0.300 0.097 21 0 "[ . 1 . 2 .]"
1 21 LEU 0.038 0.017 3 0 "[ . 1 . 2 .]"
1 22 ARG 0.279 0.093 22 0 "[ . 1 . 2 .]"
1 23 SER 0.260 0.089 19 0 "[ . 1 . 2 .]"
1 24 GLY 0.117 0.024 8 0 "[ . 1 . 2 .]"
1 25 VAL 0.005 0.005 24 0 "[ . 1 . 2 .]"
1 26 ARG 0.264 0.093 22 0 "[ . 1 . 2 .]"
1 27 LYS 0.260 0.089 19 0 "[ . 1 . 2 .]"
1 28 TYR 0.117 0.024 8 0 "[ . 1 . 2 .]"
1 32 ASN 0.305 0.049 5 0 "[ . 1 . 2 .]"
1 33 TRP 0.110 0.037 12 0 "[ . 1 . 2 .]"
1 34 SER 0.247 0.059 14 0 "[ . 1 . 2 .]"
1 36 ILE 0.305 0.049 5 0 "[ . 1 . 2 .]"
1 37 LEU 0.110 0.037 12 0 "[ . 1 . 2 .]"
1 38 LEU 0.247 0.059 14 0 "[ . 1 . 2 .]"
1 46 THR 1.813 0.134 10 0 "[ . 1 . 2 .]"
1 47 SER 0.055 0.037 9 0 "[ . 1 . 2 .]"
1 48 VAL 0.024 0.009 3 0 "[ . 1 . 2 .]"
1 49 MET 1.764 0.134 10 0 "[ . 1 . 2 .]"
1 50 LEU 0.254 0.082 18 0 "[ . 1 . 2 .]"
1 51 LYS 0.111 0.037 9 0 "[ . 1 . 2 .]"
1 52 ASP 0.024 0.009 3 0 "[ . 1 . 2 .]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 TRP 0.205 0.082 18 0 "[ . 1 . 2 .]"
1 55 ARG 0.056 0.034 12 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 14 LEU O 1 18 ASP H . . 2.050 2.006 1.894 2.162 0.112 4 0 "[ . 1 . 2 .]" 2
2 1 14 LEU O 1 18 ASP N . 2.700 3.200 3.004 2.882 3.171 . 0 0 "[ . 1 . 2 .]" 2
3 1 15 TRP O 1 19 LYS H . . 2.050 1.957 1.828 2.147 0.097 21 0 "[ . 1 . 2 .]" 2
4 1 15 TRP O 1 19 LYS N . 2.700 3.200 2.941 2.834 3.161 . 0 0 "[ . 1 . 2 .]" 2
5 1 17 GLU O 1 21 LEU H . . 2.050 1.892 1.833 2.038 0.017 3 0 "[ . 1 . 2 .]" 2
6 1 17 GLU O 1 21 LEU N . 2.700 3.200 2.862 2.782 3.042 . 0 0 "[ . 1 . 2 .]" 2
7 1 18 ASP O 1 22 ARG H . . 2.050 1.917 1.835 2.010 0.015 7 0 "[ . 1 . 2 .]" 2
8 1 18 ASP O 1 22 ARG N . 2.700 3.200 2.917 2.835 3.016 . 0 0 "[ . 1 . 2 .]" 2
9 1 21 LEU O 1 25 VAL H . . 2.050 1.879 1.845 1.927 0.005 24 0 "[ . 1 . 2 .]" 2
10 1 21 LEU O 1 25 VAL N . 2.700 3.200 2.874 2.837 2.920 . 0 0 "[ . 1 . 2 .]" 2
11 1 22 ARG O 1 26 ARG H . . 2.050 1.983 1.863 2.143 0.093 22 0 "[ . 1 . 2 .]" 2
12 1 22 ARG O 1 26 ARG N . 2.700 3.200 2.968 2.839 3.124 . 0 0 "[ . 1 . 2 .]" 2
13 1 23 SER O 1 27 LYS H . . 2.050 1.969 1.857 2.139 0.089 19 0 "[ . 1 . 2 .]" 2
14 1 23 SER O 1 27 LYS N . 2.700 3.200 2.886 2.775 3.103 . 0 0 "[ . 1 . 2 .]" 2
15 1 24 GLY O 1 28 TYR H . . 2.050 1.864 1.826 1.938 0.024 8 0 "[ . 1 . 2 .]" 2
16 1 24 GLY O 1 28 TYR N . 2.700 3.200 2.843 2.767 2.922 . 0 0 "[ . 1 . 2 .]" 2
17 1 32 ASN O 1 36 ILE H . . 2.050 2.029 1.945 2.099 0.049 5 0 "[ . 1 . 2 .]" 2
18 1 32 ASN O 1 36 ILE N . 2.700 3.200 3.030 2.952 3.109 . 0 0 "[ . 1 . 2 .]" 2
19 1 33 TRP O 1 37 LEU H . . 2.050 1.855 1.813 1.904 0.037 12 0 "[ . 1 . 2 .]" 2
20 1 33 TRP O 1 37 LEU N . 2.700 3.200 2.847 2.810 2.875 . 0 0 "[ . 1 . 2 .]" 2
21 1 34 SER O 1 38 LEU H . . 2.050 1.968 1.866 2.109 0.059 14 0 "[ . 1 . 2 .]" 2
22 1 34 SER O 1 38 LEU N . 2.700 3.200 2.922 2.834 3.085 . 0 0 "[ . 1 . 2 .]" 2
23 1 46 THR O 1 50 LEU H . . 2.050 1.894 1.827 2.029 0.023 4 0 "[ . 1 . 2 .]" 2
24 1 46 THR O 1 50 LEU N . 2.700 3.200 2.893 2.813 3.042 . 0 0 "[ . 1 . 2 .]" 2
25 1 47 SER O 1 51 LYS H . . 2.050 1.938 1.875 2.087 0.037 9 0 "[ . 1 . 2 .]" 2
26 1 47 SER O 1 51 LYS N . 2.700 3.200 2.931 2.854 3.092 . 0 0 "[ . 1 . 2 .]" 2
27 1 48 VAL O 1 52 ASP H . . 2.050 1.894 1.842 2.059 0.009 3 0 "[ . 1 . 2 .]" 2
28 1 48 VAL O 1 52 ASP N . 2.700 3.200 2.892 2.827 3.038 . 0 0 "[ . 1 . 2 .]" 2
29 1 49 MET O 1 53 ARG H . . 2.050 1.896 1.852 1.974 . 0 0 "[ . 1 . 2 .]" 2
30 1 49 MET O 1 53 ARG N . 2.700 3.200 2.876 2.800 2.954 . 0 0 "[ . 1 . 2 .]" 2
31 1 50 LEU O 1 54 TRP H . . 2.050 1.990 1.858 2.132 0.082 18 0 "[ . 1 . 2 .]" 2
32 1 50 LEU O 1 54 TRP N . 2.700 3.200 2.986 2.844 3.146 . 0 0 "[ . 1 . 2 .]" 2
33 1 51 LYS O 1 55 ARG H . . 2.050 1.893 1.816 2.013 0.034 12 0 "[ . 1 . 2 .]" 2
34 1 51 LYS O 1 55 ARG N . 2.700 3.200 2.878 2.802 3.017 . 0 0 "[ . 1 . 2 .]" 2
35 1 46 THR OG1 1 49 MET H . . 2.050 2.121 2.075 2.184 0.134 10 0 "[ . 1 . 2 .]" 2
36 1 46 THR OG1 1 49 MET N . 2.700 3.200 3.107 3.046 3.176 . 0 0 "[ . 1 . 2 .]" 2
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