NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
371299 |
1cfc   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cfc
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 738
_Distance_constraint_stats_list.Viol_count 4938
_Distance_constraint_stats_list.Viol_total 7233.375
_Distance_constraint_stats_list.Viol_max 0.480
_Distance_constraint_stats_list.Viol_rms 0.0393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0157
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 2 ASP 9.709 0.263 4 0 "[ . 1 . 2 .]"
1 3 GLN 20.187 0.361 14 0 "[ . 1 . 2 .]"
1 4 LEU 7.022 0.361 14 0 "[ . 1 . 2 .]"
1 5 THR 0.555 0.057 21 0 "[ . 1 . 2 .]"
1 6 GLU 1.331 0.057 21 0 "[ . 1 . 2 .]"
1 7 GLU 0.613 0.056 2 0 "[ . 1 . 2 .]"
1 8 GLN 1.515 0.060 16 0 "[ . 1 . 2 .]"
1 9 ILE 2.770 0.066 6 0 "[ . 1 . 2 .]"
1 10 ALA 4.689 0.137 14 0 "[ . 1 . 2 .]"
1 11 GLU 11.510 0.313 2 0 "[ . 1 . 2 .]"
1 12 PHE 9.685 0.236 7 0 "[ . 1 . 2 .]"
1 13 LYS 2.433 0.066 4 0 "[ . 1 . 2 .]"
1 14 GLU 8.577 0.247 25 0 "[ . 1 . 2 .]"
1 15 ALA 5.910 0.247 25 0 "[ . 1 . 2 .]"
1 16 PHE 13.659 0.115 24 0 "[ . 1 . 2 .]"
1 17 SER 3.460 0.076 25 0 "[ . 1 . 2 .]"
1 18 LEU 3.587 0.076 25 0 "[ . 1 . 2 .]"
1 19 PHE 6.398 0.090 1 0 "[ . 1 . 2 .]"
1 20 ASP 4.701 0.114 24 0 "[ . 1 . 2 .]"
1 21 LYS 8.156 0.194 13 0 "[ . 1 . 2 .]"
1 22 ASP 10.310 0.194 13 0 "[ . 1 . 2 .]"
1 23 GLY 2.509 0.076 25 0 "[ . 1 . 2 .]"
1 24 ASP 1.836 0.076 25 0 "[ . 1 . 2 .]"
1 25 GLY 4.098 0.181 10 0 "[ . 1 . 2 .]"
1 26 THR 8.131 0.181 10 0 "[ . 1 . 2 .]"
1 27 ILE 3.899 0.087 14 0 "[ . 1 . 2 .]"
1 28 THR 7.576 0.125 11 0 "[ . 1 . 2 .]"
1 29 THR 7.498 0.104 15 0 "[ . 1 . 2 .]"
1 30 LYS 7.424 0.106 11 0 "[ . 1 . 2 .]"
1 31 GLU 9.181 0.125 11 0 "[ . 1 . 2 .]"
1 32 LEU 2.250 0.077 15 0 "[ . 1 . 2 .]"
1 33 GLY 2.099 0.077 15 0 "[ . 1 . 2 .]"
1 34 THR 3.842 0.069 1 0 "[ . 1 . 2 .]"
1 35 VAL 2.680 0.060 12 0 "[ . 1 . 2 .]"
1 36 MET 4.013 0.112 14 0 "[ . 1 . 2 .]"
1 37 ARG 1.857 0.065 3 0 "[ . 1 . 2 .]"
1 38 SER 1.545 0.048 6 0 "[ . 1 . 2 .]"
1 39 LEU 0.356 0.039 23 0 "[ . 1 . 2 .]"
1 40 GLY 0.865 0.048 6 0 "[ . 1 . 2 .]"
1 41 GLN 1.155 0.037 21 0 "[ . 1 . 2 .]"
1 42 ASN 1.925 0.125 16 0 "[ . 1 . 2 .]"
1 43 PRO 2.024 0.125 16 0 "[ . 1 . 2 .]"
1 44 THR 2.532 0.083 18 0 "[ . 1 . 2 .]"
1 45 GLU 2.718 0.115 15 0 "[ . 1 . 2 .]"
1 46 ALA 3.684 0.140 4 0 "[ . 1 . 2 .]"
1 47 GLU 3.716 0.083 18 0 "[ . 1 . 2 .]"
1 48 LEU 7.533 0.115 15 0 "[ . 1 . 2 .]"
1 49 GLN 9.054 0.183 4 0 "[ . 1 . 2 .]"
1 50 ASP 7.245 0.142 21 0 "[ . 1 . 2 .]"
1 51 MET 7.834 0.142 21 0 "[ . 1 . 2 .]"
1 52 ILE 4.537 0.134 8 0 "[ . 1 . 2 .]"
1 53 ASN 12.842 0.229 6 0 "[ . 1 . 2 .]"
1 54 GLU 13.511 0.220 15 0 "[ . 1 . 2 .]"
1 55 VAL 21.921 0.410 23 0 "[ . 1 . 2 .]"
1 56 ASP 18.807 0.410 23 0 "[ . 1 . 2 .]"
1 57 ALA 11.939 0.165 12 0 "[ . 1 . 2 .]"
1 58 ASP 16.481 0.480 8 0 "[ . 1 . 2 .]"
1 59 GLY 12.311 0.203 21 0 "[ . 1 . 2 .]"
1 60 ASN 7.359 0.325 3 0 "[ . 1 . 2 .]"
1 61 GLY 8.559 0.325 3 0 "[ . 1 . 2 .]"
1 62 THR 7.564 0.205 22 0 "[ . 1 . 2 .]"
1 63 ILE 14.547 0.226 22 0 "[ . 1 . 2 .]"
1 64 ASP 11.624 0.226 22 0 "[ . 1 . 2 .]"
1 65 PHE 10.088 0.129 20 0 "[ . 1 . 2 .]"
1 66 PRO 0.970 0.050 19 0 "[ . 1 . 2 .]"
1 67 GLU 3.830 0.073 16 0 "[ . 1 . 2 .]"
1 68 PHE 10.450 0.105 24 0 "[ . 1 . 2 .]"
1 69 LEU 7.350 0.129 20 0 "[ . 1 . 2 .]"
1 70 THR 5.577 0.118 19 0 "[ . 1 . 2 .]"
1 71 MET 7.395 0.224 12 0 "[ . 1 . 2 .]"
1 72 MET 3.496 0.090 24 0 "[ . 1 . 2 .]"
1 73 ALA 7.650 0.346 2 0 "[ . 1 . 2 .]"
1 74 ARG 11.358 0.219 25 0 "[ . 1 . 2 .]"
1 75 LYS 11.804 0.307 9 0 "[ . 1 . 2 .]"
1 76 MET 12.716 0.346 2 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 PHE HA 1 12 PHE QD 2.200 . 2.450 2.226 2.160 2.284 . 0 0 "[ . 1 . 2 .]" 1
2 1 12 PHE HB2 1 12 PHE QD 3.000 2.200 3.500 2.419 2.334 2.596 . 0 0 "[ . 1 . 2 .]" 1
3 1 16 PHE HA 1 16 PHE QD 2.700 . 3.130 2.843 2.775 2.898 . 0 0 "[ . 1 . 2 .]" 1
4 1 16 PHE HA 1 19 PHE QR 3.100 2.300 3.630 3.662 3.599 3.691 0.061 22 0 "[ . 1 . 2 .]" 1
5 1 16 PHE HA 1 65 PHE QD 3.900 2.700 4.630 4.696 4.648 4.741 0.111 7 0 "[ . 1 . 2 .]" 1
6 1 16 PHE HB2 1 16 PHE QD 2.500 . 2.880 2.419 2.393 2.441 . 0 0 "[ . 1 . 2 .]" 1
7 1 16 PHE HB2 1 65 PHE QD 3.300 2.400 3.870 2.659 2.584 2.742 . 0 0 "[ . 1 . 2 .]" 1
8 1 16 PHE HB2 1 68 PHE QD 5.400 3.700 6.490 4.158 4.018 4.355 . 0 0 "[ . 1 . 2 .]" 1
9 1 16 PHE QD 1 65 PHE HA 4.100 2.800 4.890 3.747 3.634 3.853 . 0 0 "[ . 1 . 2 .]" 1
10 1 16 PHE QD 1 65 PHE HB2 4.500 3.100 5.390 3.461 3.315 3.584 . 0 0 "[ . 1 . 2 .]" 1
11 1 16 PHE QD 1 65 PHE QE 4.000 2.500 4.630 3.872 3.809 3.942 . 0 0 "[ . 1 . 2 .]" 1
12 1 16 PHE QD 1 68 PHE HA 5.600 3.800 6.740 5.261 5.148 5.389 . 0 0 "[ . 1 . 2 .]" 1
13 1 16 PHE QD 1 68 PHE HB2 4.400 3.100 5.240 3.320 3.173 3.469 . 0 0 "[ . 1 . 2 .]" 1
14 1 16 PHE QD 1 68 PHE QD 3.100 2.100 3.600 3.260 3.201 3.348 . 0 0 "[ . 1 . 2 .]" 1
15 1 16 PHE QD 1 68 PHE QE 4.400 2.700 5.300 3.827 3.742 3.908 . 0 0 "[ . 1 . 2 .]" 1
16 1 16 PHE QD 1 65 PHE QD 3.200 . 3.800 2.845 2.775 2.903 . 0 0 "[ . 1 . 2 .]" 1
17 1 16 PHE QE 1 65 PHE HA 3.600 2.600 4.240 3.316 3.236 3.374 . 0 0 "[ . 1 . 2 .]" 1
18 1 16 PHE QE 1 65 PHE HB2 4.000 2.800 4.760 3.405 3.273 3.531 . 0 0 "[ . 1 . 2 .]" 1
19 1 16 PHE QE 1 65 PHE QD 3.600 2.300 4.130 3.759 3.696 3.805 . 0 0 "[ . 1 . 2 .]" 1
20 1 16 PHE QE 1 68 PHE HA 4.400 3.000 5.260 4.513 4.466 4.563 . 0 0 "[ . 1 . 2 .]" 1
21 1 16 PHE QE 1 68 PHE HB2 3.200 2.300 3.740 2.333 2.316 2.376 . 0 0 "[ . 1 . 2 .]" 1
22 1 16 PHE QE 1 68 PHE QD 2.500 . 2.880 2.882 2.757 2.935 0.055 16 0 "[ . 1 . 2 .]" 1
23 1 16 PHE HZ 1 65 PHE HA 4.100 2.900 4.870 3.709 3.631 3.785 . 0 0 "[ . 1 . 2 .]" 1
24 1 19 PHE HA 1 19 PHE QR 2.600 2.100 2.890 2.945 2.908 2.980 0.090 1 0 "[ . 1 . 2 .]" 1
25 1 19 PHE HB3 1 19 PHE QR 2.400 . 2.710 2.353 2.343 2.370 . 0 0 "[ . 1 . 2 .]" 1
26 1 19 PHE HB2 1 19 PHE QR 2.400 . 2.740 2.450 2.421 2.468 . 0 0 "[ . 1 . 2 .]" 1
27 1 65 PHE HA 1 65 PHE QD 2.500 . 2.820 2.306 2.283 2.326 . 0 0 "[ . 1 . 2 .]" 1
28 1 65 PHE HA 1 68 PHE QD 3.500 2.500 4.140 4.142 4.049 4.182 0.042 15 0 "[ . 1 . 2 .]" 1
29 1 65 PHE HB2 1 65 PHE QD 2.400 . 2.760 2.633 2.621 2.650 . 0 0 "[ . 1 . 2 .]" 1
30 1 65 PHE HB2 1 68 PHE QD 6.000 4.000 7.250 5.815 5.744 5.861 . 0 0 "[ . 1 . 2 .]" 1
31 1 65 PHE QD 1 68 PHE HA 5.800 3.900 7.000 5.772 5.719 5.847 . 0 0 "[ . 1 . 2 .]" 1
32 1 65 PHE QD 1 68 PHE QD 2.820 2.370 3.720 3.600 3.540 3.648 . 0 0 "[ . 1 . 2 .]" 1
33 1 65 PHE QD 1 68 PHE QE 4.300 3.000 5.130 5.111 5.021 5.165 0.035 24 0 "[ . 1 . 2 .]" 1
34 1 65 PHE QE 1 68 PHE QD 2.600 . 3.010 3.038 3.017 3.065 0.055 15 0 "[ . 1 . 2 .]" 1
35 1 68 PHE HA 1 68 PHE QD 2.500 . 2.830 2.729 2.655 2.802 . 0 0 "[ . 1 . 2 .]" 1
36 1 68 PHE HB3 1 68 PHE QD 2.500 . 2.890 2.375 2.355 2.388 . 0 0 "[ . 1 . 2 .]" 1
37 1 65 PHE QD 1 68 PHE HB3 3.200 2.300 3.740 2.968 2.906 3.076 . 0 0 "[ . 1 . 2 .]" 1
38 1 4 LEU HB2 1 12 PHE QE 4.600 2.800 5.740 5.417 4.959 5.653 . 0 0 "[ . 1 . 2 .]" 1
39 1 8 GLN HA 1 12 PHE QE 3.600 2.200 4.500 4.226 3.934 4.535 0.035 16 0 "[ . 1 . 2 .]" 1
40 1 8 GLN HA 1 12 PHE HZ 4.500 2.700 5.620 4.501 3.981 5.046 . 0 0 "[ . 1 . 2 .]" 1
41 1 8 GLN HB3 1 12 PHE QE 3.500 2.100 4.380 3.112 2.345 3.740 . 0 0 "[ . 1 . 2 .]" 1
42 1 8 GLN HB3 1 12 PHE HZ 3.900 2.300 4.880 3.152 2.596 3.509 . 0 0 "[ . 1 . 2 .]" 1
43 1 8 GLN QG 1 12 PHE QE 4.100 2.400 5.140 4.201 3.804 4.723 . 0 0 "[ . 1 . 2 .]" 1
44 1 8 GLN QG 1 12 PHE HZ 4.700 2.800 5.870 3.845 3.104 4.716 . 0 0 "[ . 1 . 2 .]" 1
45 1 9 ILE HA 1 12 PHE QD 2.700 . 3.360 2.949 2.401 3.277 . 0 0 "[ . 1 . 2 .]" 1
46 1 9 ILE HA 1 65 PHE HZ 3.200 . 4.000 3.469 3.262 3.832 . 0 0 "[ . 1 . 2 .]" 1
47 1 9 ILE HB 1 65 PHE HZ 4.700 2.800 5.870 5.326 5.233 5.485 . 0 0 "[ . 1 . 2 .]" 1
48 1 9 ILE HG13 1 12 PHE QD 4.600 2.800 5.740 5.009 4.344 5.464 . 0 0 "[ . 1 . 2 .]" 1
49 1 9 ILE HG12 1 65 PHE HZ 5.300 3.200 6.630 4.899 4.644 5.110 . 0 0 "[ . 1 . 2 .]" 1
50 1 11 GLU QB 1 12 PHE QD 3.200 . 4.000 3.186 2.530 4.189 0.189 16 0 "[ . 1 . 2 .]" 1
51 1 11 GLU QG 1 12 PHE QD 3.500 2.100 4.380 3.676 2.134 4.616 0.236 7 0 "[ . 1 . 2 .]" 1
52 1 12 PHE QD 1 39 LEU QB 4.500 2.700 5.620 4.454 4.158 4.791 . 0 0 "[ . 1 . 2 .]" 1
53 1 12 PHE QD 1 69 LEU HA 3.500 2.100 4.380 3.802 3.498 4.222 . 0 0 "[ . 1 . 2 .]" 1
54 1 12 PHE QD 1 72 MET HB3 4.200 2.500 5.260 4.284 3.949 4.593 . 0 0 "[ . 1 . 2 .]" 1
55 1 12 PHE QE 1 39 LEU QB 4.400 2.700 5.490 4.036 3.589 4.408 . 0 0 "[ . 1 . 2 .]" 1
56 1 12 PHE QE 1 69 LEU HA 4.500 2.700 5.620 4.795 4.354 5.249 . 0 0 "[ . 1 . 2 .]" 1
57 1 12 PHE QE 1 72 MET HA 4.500 2.700 5.620 5.483 5.197 5.650 0.030 4 0 "[ . 1 . 2 .]" 1
58 1 12 PHE QE 1 72 MET HB3 3.700 2.200 4.630 3.244 2.776 3.697 . 0 0 "[ . 1 . 2 .]" 1
59 1 12 PHE QE 1 72 MET QG 3.800 2.300 4.760 3.846 3.283 4.455 . 0 0 "[ . 1 . 2 .]" 1
60 1 12 PHE QE 1 76 MET QG 4.000 2.400 5.010 4.375 3.542 4.864 . 0 0 "[ . 1 . 2 .]" 1
61 1 12 PHE HZ 1 72 MET HA 4.800 2.900 6.000 6.020 5.896 6.073 0.073 12 0 "[ . 1 . 2 .]" 1
62 1 12 PHE HZ 1 72 MET HB3 4.100 2.400 5.140 3.795 3.627 4.009 . 0 0 "[ . 1 . 2 .]" 1
63 1 12 PHE HZ 1 72 MET QG 4.700 2.800 5.870 4.692 4.039 5.282 . 0 0 "[ . 1 . 2 .]" 1
64 1 12 PHE HZ 1 76 MET HB3 5.100 3.100 6.370 6.072 5.788 6.359 . 0 0 "[ . 1 . 2 .]" 1
65 1 12 PHE HZ 1 76 MET QG 3.700 2.200 4.630 4.083 3.600 4.312 . 0 0 "[ . 1 . 2 .]" 1
66 1 13 LYS HA 1 65 PHE QD 3.000 . 3.740 3.646 3.549 3.732 . 0 0 "[ . 1 . 2 .]" 1
67 1 13 LYS HA 1 65 PHE QE 2.100 . 2.630 2.660 2.561 2.695 0.065 15 0 "[ . 1 . 2 .]" 1
68 1 13 LYS HA 1 65 PHE HZ 2.800 . 3.490 3.292 3.170 3.430 . 0 0 "[ . 1 . 2 .]" 1
69 1 13 LYS HB2 1 65 PHE QD 4.400 2.700 5.490 4.629 4.510 4.763 . 0 0 "[ . 1 . 2 .]" 1
70 1 13 LYS HB2 1 65 PHE QE 2.900 . 3.620 3.343 3.215 3.457 . 0 0 "[ . 1 . 2 .]" 1
71 1 13 LYS HB2 1 65 PHE HZ 2.700 . 3.360 2.899 2.807 3.042 . 0 0 "[ . 1 . 2 .]" 1
72 1 13 LYS QD 1 65 PHE QD 3.900 2.300 4.880 4.882 4.744 4.946 0.066 4 0 "[ . 1 . 2 .]" 1
73 1 13 LYS QD 1 65 PHE QE 3.400 . 4.250 4.214 4.025 4.270 0.020 15 0 "[ . 1 . 2 .]" 1
74 1 13 LYS QD 1 65 PHE HZ 3.900 2.300 4.880 4.776 4.580 4.867 . 0 0 "[ . 1 . 2 .]" 1
75 1 13 LYS QE 1 16 PHE QE 4.900 2.900 6.120 6.116 5.971 6.167 0.047 13 0 "[ . 1 . 2 .]" 1
76 1 13 LYS QE 1 65 PHE QD 3.200 . 4.000 2.979 2.862 3.108 . 0 0 "[ . 1 . 2 .]" 1
77 1 13 LYS QE 1 65 PHE QE 2.900 . 3.620 2.738 2.540 2.990 . 0 0 "[ . 1 . 2 .]" 1
78 1 13 LYS QE 1 65 PHE HZ 3.500 2.100 4.380 3.581 3.406 3.781 . 0 0 "[ . 1 . 2 .]" 1
79 1 13 LYS QG 1 65 PHE QD 4.200 2.500 5.260 4.563 4.309 4.845 . 0 0 "[ . 1 . 2 .]" 1
80 1 13 LYS QG 1 65 PHE QE 3.600 2.200 4.500 4.279 4.138 4.432 . 0 0 "[ . 1 . 2 .]" 1
81 1 16 PHE QD 1 17 SER HA 2.700 . 3.360 3.261 3.105 3.362 0.002 4 0 "[ . 1 . 2 .]" 1
82 1 16 PHE QD 1 17 SER QB 3.600 2.200 4.500 4.264 3.844 4.554 0.054 11 0 "[ . 1 . 2 .]" 1
83 1 16 PHE QD 1 20 ASP HA 4.700 2.800 5.870 5.520 5.351 5.683 . 0 0 "[ . 1 . 2 .]" 1
84 1 16 PHE QD 1 20 ASP HB2 3.600 2.200 4.500 3.429 3.248 3.610 . 0 0 "[ . 1 . 2 .]" 1
85 1 16 PHE QD 1 26 THR HA 4.700 2.800 5.870 4.686 4.654 4.758 . 0 0 "[ . 1 . 2 .]" 1
86 1 16 PHE QD 1 63 ILE HB 4.900 2.900 6.120 5.530 5.469 5.586 . 0 0 "[ . 1 . 2 .]" 1
87 1 16 PHE QE 1 17 SER HA 4.000 2.400 5.010 4.890 4.722 5.027 0.017 1 0 "[ . 1 . 2 .]" 1
88 1 16 PHE QE 1 20 ASP HA 4.400 2.700 5.490 5.069 4.925 5.257 . 0 0 "[ . 1 . 2 .]" 1
89 1 16 PHE QE 1 20 ASP HB2 3.600 2.200 4.500 3.688 3.581 3.842 . 0 0 "[ . 1 . 2 .]" 1
90 1 16 PHE QE 1 25 GLY QA 3.100 . 3.870 3.292 3.208 3.361 . 0 0 "[ . 1 . 2 .]" 1
91 1 16 PHE QE 1 26 THR HA 2.800 . 3.490 2.354 2.320 2.442 . 0 0 "[ . 1 . 2 .]" 1
92 1 16 PHE QE 1 26 THR HB 4.500 2.700 5.620 4.618 4.591 4.679 . 0 0 "[ . 1 . 2 .]" 1
93 1 16 PHE QE 1 27 ILE HA 4.900 2.900 6.120 5.043 5.004 5.080 . 0 0 "[ . 1 . 2 .]" 1
94 1 16 PHE QE 1 27 ILE HG12 3.000 . 3.740 2.596 2.508 2.671 . 0 0 "[ . 1 . 2 .]" 1
95 1 16 PHE QE 1 63 ILE HA 5.000 3.000 6.250 5.498 5.422 5.545 . 0 0 "[ . 1 . 2 .]" 1
96 1 16 PHE QE 1 63 ILE HG13 4.400 2.700 5.490 5.543 5.523 5.572 0.082 12 0 "[ . 1 . 2 .]" 1
97 1 16 PHE QE 1 64 ASP HA 3.100 . 3.870 3.590 3.526 3.645 . 0 0 "[ . 1 . 2 .]" 1
98 1 16 PHE HZ 1 25 GLY QA 5.000 3.000 6.250 5.289 5.203 5.336 . 0 0 "[ . 1 . 2 .]" 1
99 1 16 PHE HZ 1 26 THR HA 2.200 . 2.760 2.278 2.254 2.295 . 0 0 "[ . 1 . 2 .]" 1
100 1 16 PHE HZ 1 26 THR HB 3.200 . 4.000 4.038 4.023 4.072 0.072 13 0 "[ . 1 . 2 .]" 1
101 1 16 PHE HZ 1 27 ILE HB 5.100 3.100 6.370 5.103 5.058 5.149 . 0 0 "[ . 1 . 2 .]" 1
102 1 16 PHE HZ 1 63 ILE HB 4.400 2.700 5.490 3.764 3.695 3.837 . 0 0 "[ . 1 . 2 .]" 1
103 1 16 PHE HZ 1 64 ASP HA 2.400 . 3.010 2.554 2.441 2.656 . 0 0 "[ . 1 . 2 .]" 1
104 1 16 PHE HZ 1 64 ASP HB3 4.700 2.800 5.870 5.017 4.923 5.111 . 0 0 "[ . 1 . 2 .]" 1
105 1 16 PHE HZ 1 64 ASP HB2 4.700 2.800 5.870 4.795 4.673 4.900 . 0 0 "[ . 1 . 2 .]" 1
106 1 32 LEU HA 1 68 PHE QD 4.800 2.900 6.000 5.066 4.921 5.184 . 0 0 "[ . 1 . 2 .]" 1
107 1 32 LEU HG 1 68 PHE QE 4.100 2.400 5.140 4.598 4.453 4.803 . 0 0 "[ . 1 . 2 .]" 1
108 1 35 VAL HB 1 68 PHE QD 4.500 2.700 5.620 5.083 4.938 5.225 . 0 0 "[ . 1 . 2 .]" 1
109 1 35 VAL HB 1 68 PHE QE 3.100 . 3.870 3.190 2.959 3.402 . 0 0 "[ . 1 . 2 .]" 1
110 1 35 VAL HB 1 68 PHE HZ 4.500 2.700 5.620 3.716 3.410 4.091 . 0 0 "[ . 1 . 2 .]" 1
111 1 36 MET HA 1 68 PHE QE 3.700 2.200 4.630 4.674 4.592 4.710 0.080 24 0 "[ . 1 . 2 .]" 1
112 1 36 MET HA 1 68 PHE HZ 3.800 2.300 4.760 3.656 3.530 3.764 . 0 0 "[ . 1 . 2 .]" 1
113 1 36 MET HB2 1 68 PHE QE 4.400 2.700 5.490 5.457 5.302 5.542 0.052 16 0 "[ . 1 . 2 .]" 1
114 1 36 MET QG 1 68 PHE QD 4.600 2.800 5.740 5.056 4.971 5.146 . 0 0 "[ . 1 . 2 .]" 1
115 1 36 MET QG 1 68 PHE QE 2.900 . 3.620 3.111 2.993 3.221 . 0 0 "[ . 1 . 2 .]" 1
116 1 36 MET QG 1 68 PHE HZ 4.500 2.700 5.620 3.013 2.786 3.251 . 0 0 "[ . 1 . 2 .]" 1
117 1 63 ILE HA 1 68 PHE QD 5.100 3.100 6.370 6.252 6.114 6.355 . 0 0 "[ . 1 . 2 .]" 1
118 1 63 ILE HB 1 68 PHE QD 4.800 2.900 6.000 4.021 3.873 4.163 . 0 0 "[ . 1 . 2 .]" 1
119 1 63 ILE HG13 1 68 PHE QD 5.000 3.000 6.250 5.828 5.702 5.934 . 0 0 "[ . 1 . 2 .]" 1
120 1 65 PHE QD 1 66 PRO HA 3.800 2.300 4.760 4.049 3.998 4.132 . 0 0 "[ . 1 . 2 .]" 1
121 1 65 PHE QD 1 66 PRO QD 2.800 . 3.490 3.482 3.414 3.529 0.039 9 0 "[ . 1 . 2 .]" 1
122 1 65 PHE QD 1 66 PRO QG 4.000 2.400 5.010 4.823 4.753 4.887 . 0 0 "[ . 1 . 2 .]" 1
123 1 65 PHE QD 1 69 LEU HG 4.500 2.700 5.620 3.690 3.503 3.830 . 0 0 "[ . 1 . 2 .]" 1
124 1 65 PHE QE 1 66 PRO HA 4.900 2.900 6.120 5.235 5.145 5.353 . 0 0 "[ . 1 . 2 .]" 1
125 1 65 PHE QE 1 66 PRO QD 5.100 3.100 6.370 5.464 5.408 5.513 . 0 0 "[ . 1 . 2 .]" 1
126 1 65 PHE QE 1 69 LEU HB2 4.600 2.800 5.740 5.420 5.265 5.523 . 0 0 "[ . 1 . 2 .]" 1
127 1 65 PHE HZ 1 69 LEU HB3 5.000 3.000 6.250 5.941 5.890 6.017 . 0 0 "[ . 1 . 2 .]" 1
128 1 68 PHE QD 1 69 LEU HA 3.300 . 4.120 3.511 3.395 3.652 . 0 0 "[ . 1 . 2 .]" 1
129 1 68 PHE QD 1 69 LEU HB2 4.700 2.800 5.870 5.453 5.243 5.649 . 0 0 "[ . 1 . 2 .]" 1
130 1 68 PHE QD 1 71 MET QB 4.400 2.700 5.490 4.432 3.955 5.293 . 0 0 "[ . 1 . 2 .]" 1
131 1 68 PHE QD 1 72 MET QG 4.100 2.400 5.140 3.183 2.801 3.767 . 0 0 "[ . 1 . 2 .]" 1
132 1 68 PHE QE 1 69 LEU HA 4.500 2.700 5.620 5.007 4.817 5.230 . 0 0 "[ . 1 . 2 .]" 1
133 1 68 PHE QE 1 72 MET HA 4.900 2.900 6.120 5.776 5.542 6.081 . 0 0 "[ . 1 . 2 .]" 1
134 1 68 PHE QE 1 72 MET QG 3.300 . 4.120 2.701 2.324 3.229 . 0 0 "[ . 1 . 2 .]" 1
135 1 68 PHE HZ 1 72 MET QG 4.000 2.400 5.010 3.839 3.408 4.196 . 0 0 "[ . 1 . 2 .]" 1
136 1 4 LEU MD1 1 12 PHE QD 3.100 . 3.870 3.881 3.707 3.914 0.044 10 0 "[ . 1 . 2 .]" 1
137 1 4 LEU MD1 1 12 PHE QE 2.900 . 3.620 3.420 3.208 3.514 . 0 0 "[ . 1 . 2 .]" 1
138 1 4 LEU MD1 1 12 PHE HZ 4.600 2.800 5.740 5.380 5.138 5.499 . 0 0 "[ . 1 . 2 .]" 1
139 1 4 LEU MD2 1 12 PHE QD 3.100 . 3.870 3.931 3.886 3.975 0.105 6 0 "[ . 1 . 2 .]" 1
140 1 4 LEU MD2 1 12 PHE QE 2.300 . 2.880 2.263 2.212 2.384 . 0 0 "[ . 1 . 2 .]" 1
141 1 4 LEU MD2 1 12 PHE HZ 3.000 . 3.740 3.607 3.410 3.746 0.006 17 0 "[ . 1 . 2 .]" 1
142 1 9 ILE MD 1 65 PHE HZ 4.400 2.700 5.490 5.505 5.401 5.548 0.058 22 0 "[ . 1 . 2 .]" 1
143 1 9 ILE MG 1 65 PHE QE 2.400 . 3.010 2.420 2.192 2.700 . 0 0 "[ . 1 . 2 .]" 1
144 1 9 ILE MG 1 65 PHE HZ 2.400 . 3.010 2.760 2.649 2.820 . 0 0 "[ . 1 . 2 .]" 1
145 1 12 PHE QD 1 15 ALA MB 3.300 . 4.120 3.840 3.558 4.059 . 0 0 "[ . 1 . 2 .]" 1
146 1 12 PHE QD 1 69 LEU MD2 2.300 . 2.880 2.179 2.047 2.424 . 0 0 "[ . 1 . 2 .]" 1
147 1 12 PHE QD 1 72 MET ME 3.300 . 4.120 3.236 2.629 3.769 . 0 0 "[ . 1 . 2 .]" 1
148 1 12 PHE QE 1 69 LEU MD1 4.500 2.700 5.620 5.665 5.631 5.704 0.084 15 0 "[ . 1 . 2 .]" 1
149 1 12 PHE QE 1 69 LEU MD2 3.200 . 4.000 3.550 3.407 3.777 . 0 0 "[ . 1 . 2 .]" 1
150 1 12 PHE QE 1 72 MET ME 2.700 . 3.360 2.758 2.443 3.145 . 0 0 "[ . 1 . 2 .]" 1
151 1 12 PHE QE 1 76 MET ME 2.900 . 3.620 2.685 1.993 3.140 . 0 0 "[ . 1 . 2 .]" 1
152 1 12 PHE HZ 1 72 MET ME 2.700 . 3.360 3.061 2.520 3.410 0.050 3 0 "[ . 1 . 2 .]" 1
153 1 12 PHE HZ 1 76 MET ME 2.500 . 3.140 2.164 1.787 2.782 . 0 0 "[ . 1 . 2 .]" 1
154 1 15 ALA MB 1 16 PHE QD 5.500 3.300 6.880 4.951 4.866 5.059 . 0 0 "[ . 1 . 2 .]" 1
155 1 15 ALA MB 1 68 PHE QD 5.700 3.400 7.130 5.534 5.331 5.724 . 0 0 "[ . 1 . 2 .]" 1
156 1 15 ALA MB 1 68 PHE HZ 4.400 2.700 5.490 4.502 4.260 4.743 . 0 0 "[ . 1 . 2 .]" 1
157 1 16 PHE QD 1 27 ILE MD 3.200 . 4.000 2.856 2.717 2.998 . 0 0 "[ . 1 . 2 .]" 1
158 1 16 PHE QD 1 27 ILE MG 3.200 . 4.000 3.290 3.243 3.376 . 0 0 "[ . 1 . 2 .]" 1
159 1 16 PHE QD 1 32 LEU MD1 5.300 3.200 6.630 5.061 4.831 5.184 . 0 0 "[ . 1 . 2 .]" 1
160 1 16 PHE QD 1 35 VAL MG1 3.100 . 3.870 3.159 2.946 3.363 . 0 0 "[ . 1 . 2 .]" 1
161 1 16 PHE QD 1 35 VAL MG2 4.000 2.400 5.010 3.931 3.623 4.110 . 0 0 "[ . 1 . 2 .]" 1
162 1 16 PHE QD 1 63 ILE MD 5.400 3.200 6.750 5.824 5.688 5.939 . 0 0 "[ . 1 . 2 .]" 1
163 1 16 PHE QD 1 63 ILE MG 4.100 2.400 5.140 5.156 5.032 5.204 0.064 1 0 "[ . 1 . 2 .]" 1
164 1 16 PHE QE 1 26 THR MG 4.000 2.400 5.010 3.905 3.862 3.962 . 0 0 "[ . 1 . 2 .]" 1
165 1 16 PHE QE 1 27 ILE MD 2.900 . 3.620 2.366 2.262 2.497 . 0 0 "[ . 1 . 2 .]" 1
166 1 16 PHE QE 1 27 ILE MG 2.800 . 3.490 2.725 2.669 2.772 . 0 0 "[ . 1 . 2 .]" 1
167 1 16 PHE QE 1 35 VAL MG1 4.900 2.900 6.120 4.702 4.556 4.881 . 0 0 "[ . 1 . 2 .]" 1
168 1 16 PHE QE 1 35 VAL MG2 5.900 3.500 7.390 4.618 4.394 4.807 . 0 0 "[ . 1 . 2 .]" 1
169 1 16 PHE QE 1 63 ILE MD 3.700 2.200 4.630 4.374 4.233 4.499 . 0 0 "[ . 1 . 2 .]" 1
170 1 16 PHE QE 1 63 ILE MG 2.800 . 3.490 3.423 3.274 3.494 0.004 1 0 "[ . 1 . 2 .]" 1
171 1 16 PHE HZ 1 26 THR MG 3.200 . 4.000 3.993 3.916 4.035 0.035 10 0 "[ . 1 . 2 .]" 1
172 1 16 PHE HZ 1 27 ILE MD 4.000 2.400 5.010 3.512 3.451 3.570 . 0 0 "[ . 1 . 2 .]" 1
173 1 16 PHE HZ 1 27 ILE MG 3.300 . 4.120 2.947 2.861 3.042 . 0 0 "[ . 1 . 2 .]" 1
174 1 16 PHE HZ 1 35 VAL MG1 5.400 3.200 6.750 6.448 6.310 6.581 . 0 0 "[ . 1 . 2 .]" 1
175 1 16 PHE HZ 1 35 VAL MG2 4.900 2.900 6.120 5.943 5.725 6.079 . 0 0 "[ . 1 . 2 .]" 1
176 1 16 PHE HZ 1 63 ILE MD 5.200 3.100 6.500 5.466 5.338 5.595 . 0 0 "[ . 1 . 2 .]" 1
177 1 27 ILE MD 1 68 PHE QD 3.200 . 4.000 3.040 2.898 3.175 . 0 0 "[ . 1 . 2 .]" 1
178 1 27 ILE MD 1 68 PHE QE 3.600 2.200 4.500 3.453 3.313 3.549 . 0 0 "[ . 1 . 2 .]" 1
179 1 27 ILE MG 1 68 PHE QD 4.900 2.900 6.120 5.413 5.298 5.524 . 0 0 "[ . 1 . 2 .]" 1
180 1 32 LEU MD2 1 68 PHE QD 3.800 2.300 4.760 4.645 4.391 4.773 0.013 7 0 "[ . 1 . 2 .]" 1
181 1 35 VAL MG1 1 68 PHE QD 3.700 2.200 4.630 4.146 4.057 4.222 . 0 0 "[ . 1 . 2 .]" 1
182 1 35 VAL MG1 1 68 PHE QE 2.400 . 3.010 2.966 2.868 3.032 0.022 23 0 "[ . 1 . 2 .]" 1
183 1 35 VAL MG1 1 68 PHE HZ 2.400 . 3.010 2.320 2.260 2.480 . 0 0 "[ . 1 . 2 .]" 1
184 1 35 VAL MG2 1 68 PHE QD 5.100 3.100 6.370 4.873 4.743 5.021 . 0 0 "[ . 1 . 2 .]" 1
185 1 35 VAL MG2 1 68 PHE QE 4.000 2.400 5.010 3.995 3.823 4.190 . 0 0 "[ . 1 . 2 .]" 1
186 1 35 VAL MG2 1 68 PHE HZ 4.400 2.700 5.490 4.635 4.450 4.898 . 0 0 "[ . 1 . 2 .]" 1
187 1 36 MET ME 1 68 PHE QD 4.200 2.500 5.260 4.780 4.517 5.133 . 0 0 "[ . 1 . 2 .]" 1
188 1 36 MET ME 1 68 PHE QE 3.100 . 3.870 3.630 3.303 3.884 0.014 16 0 "[ . 1 . 2 .]" 1
189 1 36 MET ME 1 68 PHE HZ 4.400 2.700 5.490 3.882 3.618 4.180 . 0 0 "[ . 1 . 2 .]" 1
190 1 63 ILE MD 1 68 PHE QD 3.100 . 3.870 3.565 3.389 3.677 . 0 0 "[ . 1 . 2 .]" 1
191 1 63 ILE MD 1 68 PHE QE 4.600 2.800 5.740 4.417 4.191 4.599 . 0 0 "[ . 1 . 2 .]" 1
192 1 63 ILE MG 1 68 PHE QD 2.900 . 3.620 3.008 2.875 3.118 . 0 0 "[ . 1 . 2 .]" 1
193 1 63 ILE MG 1 68 PHE QE 4.500 2.700 5.620 4.759 4.607 4.912 . 0 0 "[ . 1 . 2 .]" 1
194 1 65 PHE QD 1 69 LEU MD1 3.400 . 4.250 3.118 2.789 3.241 . 0 0 "[ . 1 . 2 .]" 1
195 1 65 PHE QD 1 69 LEU MD2 3.400 . 4.250 3.945 3.705 4.207 . 0 0 "[ . 1 . 2 .]" 1
196 1 65 PHE QE 1 69 LEU MD1 2.700 . 3.360 2.284 2.274 2.296 . 0 0 "[ . 1 . 2 .]" 1
197 1 65 PHE HZ 1 69 LEU MD1 3.200 . 4.000 3.462 3.266 3.742 . 0 0 "[ . 1 . 2 .]" 1
198 1 65 PHE HZ 1 69 LEU MD2 2.500 . 3.140 2.403 2.285 2.631 . 0 0 "[ . 1 . 2 .]" 1
199 1 68 PHE QD 1 69 LEU MD1 4.900 2.900 6.120 5.066 4.771 5.268 . 0 0 "[ . 1 . 2 .]" 1
200 1 68 PHE QD 1 69 LEU MD2 3.000 . 3.740 2.829 2.428 3.259 . 0 0 "[ . 1 . 2 .]" 1
201 1 68 PHE QD 1 71 MET ME 3.100 . 3.870 3.285 2.411 3.718 . 0 0 "[ . 1 . 2 .]" 1
202 1 68 PHE QD 1 72 MET ME 4.200 2.500 5.260 4.823 4.047 5.250 . 0 0 "[ . 1 . 2 .]" 1
203 1 68 PHE QE 1 71 MET ME 3.700 2.200 4.630 4.048 3.152 4.573 . 0 0 "[ . 1 . 2 .]" 1
204 1 68 PHE QE 1 72 MET ME 3.200 . 4.000 3.265 2.297 3.758 . 0 0 "[ . 1 . 2 .]" 1
205 1 68 PHE HZ 1 71 MET ME 5.100 3.100 6.370 5.843 4.970 6.382 0.012 3 0 "[ . 1 . 2 .]" 1
206 1 68 PHE HZ 1 72 MET ME 3.300 . 4.120 3.835 3.052 4.139 0.019 4 0 "[ . 1 . 2 .]" 1
207 1 12 PHE QD 1 39 LEU MD2 2.200 . 2.760 2.646 2.406 2.777 0.017 24 0 "[ . 1 . 2 .]" 1
208 1 12 PHE QD 1 39 LEU MD1 2.700 . 3.360 2.616 2.306 2.976 . 0 0 "[ . 1 . 2 .]" 1
209 1 12 PHE QE 1 39 LEU MD1 3.100 . 3.870 2.922 2.343 3.586 . 0 0 "[ . 1 . 2 .]" 1
210 1 12 PHE HZ 1 39 LEU MD1 4.500 2.700 5.620 4.564 4.030 5.101 . 0 0 "[ . 1 . 2 .]" 1
211 1 39 LEU MD1 1 68 PHE QE 2.900 . 3.620 3.007 2.889 3.219 . 0 0 "[ . 1 . 2 .]" 1
212 1 39 LEU MD1 1 68 PHE HZ 2.500 . 3.140 2.944 2.620 3.110 . 0 0 "[ . 1 . 2 .]" 1
213 1 15 ALA HA 1 19 PHE QR 3.400 . 4.250 3.610 3.420 3.907 . 0 0 "[ . 1 . 2 .]" 1
214 1 18 LEU HB3 1 19 PHE QR 2.700 . 3.360 2.599 2.504 2.733 . 0 0 "[ . 1 . 2 .]" 1
215 1 18 LEU HB2 1 19 PHE QR 2.300 . 2.880 2.364 2.137 2.656 . 0 0 "[ . 1 . 2 .]" 1
216 1 19 PHE QR 1 21 LYS QD 5.700 3.400 7.130 6.025 5.877 6.212 . 0 0 "[ . 1 . 2 .]" 1
217 1 19 PHE QR 1 21 LYS QE 4.600 2.800 5.740 4.718 4.396 5.116 . 0 0 "[ . 1 . 2 .]" 1
218 1 19 PHE QR 1 21 LYS QG 5.900 3.500 7.390 4.791 4.685 4.990 . 0 0 "[ . 1 . 2 .]" 1
219 1 19 PHE QR 1 31 GLU HA 3.700 2.200 4.630 4.451 4.279 4.562 . 0 0 "[ . 1 . 2 .]" 1
220 1 19 PHE QR 1 31 GLU HB3 3.300 . 4.120 2.946 2.744 3.119 . 0 0 "[ . 1 . 2 .]" 1
221 1 19 PHE QR 1 31 GLU HB2 3.500 2.100 4.380 4.229 4.052 4.384 0.004 5 0 "[ . 1 . 2 .]" 1
222 1 19 PHE QR 1 31 GLU QG 2.700 . 3.360 3.378 3.327 3.403 0.043 10 0 "[ . 1 . 2 .]" 1
223 1 19 PHE QR 1 34 THR HB 2.800 . 3.490 3.276 3.123 3.398 . 0 0 "[ . 1 . 2 .]" 1
224 1 19 PHE QR 1 35 VAL HA 2.400 . 3.010 2.992 2.899 3.047 0.037 2 0 "[ . 1 . 2 .]" 1
225 1 19 PHE QR 1 38 SER HA 4.600 2.800 5.740 5.524 5.285 5.714 . 0 0 "[ . 1 . 2 .]" 1
226 1 19 PHE QR 1 38 SER QB 3.200 . 4.000 3.181 2.963 3.315 . 0 0 "[ . 1 . 2 .]" 1
227 1 18 LEU HB3 1 19 PHE HZ 5.000 3.000 6.250 3.943 3.753 4.352 . 0 0 "[ . 1 . 2 .]" 1
228 1 19 PHE HZ 1 34 THR HA 4.600 2.800 5.740 5.224 5.070 5.309 . 0 0 "[ . 1 . 2 .]" 1
229 1 19 PHE HZ 1 34 THR HB 3.400 . 4.250 4.190 3.963 4.266 0.016 9 0 "[ . 1 . 2 .]" 1
230 1 19 PHE HZ 1 35 VAL HA 3.800 2.300 4.760 4.158 3.938 4.428 . 0 0 "[ . 1 . 2 .]" 1
231 1 19 PHE HZ 1 38 SER QB 3.500 2.100 4.380 3.693 3.509 4.001 . 0 0 "[ . 1 . 2 .]" 1
232 1 15 ALA MB 1 19 PHE QR 3.300 . 4.120 3.752 3.553 3.934 . 0 0 "[ . 1 . 2 .]" 1
233 1 18 LEU MD1 1 19 PHE QR 2.900 . 3.620 2.863 2.629 3.228 . 0 0 "[ . 1 . 2 .]" 1
234 1 18 LEU MD2 1 19 PHE QR 3.200 . 4.000 4.046 3.932 4.072 0.072 15 0 "[ . 1 . 2 .]" 1
235 1 19 PHE QR 1 27 ILE MD 3.800 2.300 4.760 4.292 4.231 4.337 . 0 0 "[ . 1 . 2 .]" 1
236 1 19 PHE QR 1 27 ILE MG 3.100 . 3.870 3.877 3.783 3.927 0.057 22 0 "[ . 1 . 2 .]" 1
237 1 19 PHE QR 1 35 VAL MG1 2.800 . 3.490 3.362 3.210 3.494 0.004 7 0 "[ . 1 . 2 .]" 1
238 1 19 PHE QR 1 35 VAL MG2 2.100 . 2.630 2.234 2.204 2.378 . 0 0 "[ . 1 . 2 .]" 1
239 1 19 PHE QR 1 34 THR MG 2.100 . 2.630 2.153 2.054 2.221 . 0 0 "[ . 1 . 2 .]" 1
240 1 18 LEU MD1 1 19 PHE HZ 4.200 2.500 5.260 4.119 3.885 4.877 . 0 0 "[ . 1 . 2 .]" 1
241 1 18 LEU MD2 1 19 PHE HZ 4.100 2.400 5.140 5.088 4.900 5.155 0.015 18 0 "[ . 1 . 2 .]" 1
242 1 19 PHE HZ 1 34 THR MG 2.200 . 2.760 2.406 2.277 2.568 . 0 0 "[ . 1 . 2 .]" 1
243 1 19 PHE HZ 1 35 VAL MG1 5.500 3.300 6.880 5.540 5.328 5.738 . 0 0 "[ . 1 . 2 .]" 1
244 1 19 PHE HZ 1 35 VAL MG2 4.000 2.400 5.010 4.382 4.196 4.682 . 0 0 "[ . 1 . 2 .]" 1
245 1 2 ASP HA 1 3 GLN H 2.800 2.400 2.800 3.021 2.978 3.063 0.263 4 0 "[ . 1 . 2 .]" 1
246 1 3 GLN H 1 3 GLN HA 2.900 2.700 2.900 2.877 2.852 2.978 0.078 24 0 "[ . 1 . 2 .]" 1
247 1 2 ASP QB 1 3 GLN H 3.400 2.800 3.400 3.567 3.526 3.617 0.217 21 0 "[ . 1 . 2 .]" 1
248 1 3 GLN H 1 3 GLN QG 3.000 . 3.000 2.149 1.940 3.007 0.060 23 0 "[ . 1 . 2 .]" 1
249 1 3 GLN H 1 3 GLN QB 3.400 2.800 3.400 2.590 2.550 2.745 0.250 7 0 "[ . 1 . 2 .]" 1
250 1 1 ALA MB 1 3 GLN H 3.500 . 3.500 2.733 2.328 3.433 . 0 0 "[ . 1 . 2 .]" 1
251 1 4 LEU H 1 4 LEU HA 3.000 2.700 3.000 2.884 2.812 2.931 . 0 0 "[ . 1 . 2 .]" 1
252 1 3 GLN HA 1 4 LEU H 2.600 . 2.600 2.296 2.226 2.961 0.361 14 0 "[ . 1 . 2 .]" 1
253 1 3 GLN QG 1 4 LEU H 3.800 3.000 3.800 3.915 3.589 3.960 0.160 16 0 "[ . 1 . 2 .]" 1
254 1 3 GLN QB 1 4 LEU H 3.400 2.800 3.400 2.792 2.696 3.599 0.199 14 0 "[ . 1 . 2 .]" 1
255 1 4 LEU H 1 4 LEU HB2 2.700 2.100 2.700 2.520 2.414 2.591 . 0 0 "[ . 1 . 2 .]" 1
256 1 4 LEU H 1 4 LEU HG 2.700 2.100 2.700 2.165 2.065 2.452 0.035 9 0 "[ . 1 . 2 .]" 1
257 1 5 THR H 1 5 THR HA 3.100 2.700 3.100 2.904 2.887 2.956 . 0 0 "[ . 1 . 2 .]" 1
258 1 5 THR H 1 8 GLN HB2 3.000 2.500 3.000 2.541 2.474 2.786 0.026 10 0 "[ . 1 . 2 .]" 1
259 1 5 THR H 1 5 THR MG 2.900 . 2.900 2.389 2.244 2.544 . 0 0 "[ . 1 . 2 .]" 1
260 1 6 GLU H 1 7 GLU H 3.100 2.700 3.100 2.739 2.675 2.812 0.025 25 0 "[ . 1 . 2 .]" 1
261 1 6 GLU H 1 6 GLU HA 2.900 2.700 2.900 2.826 2.796 2.854 . 0 0 "[ . 1 . 2 .]" 1
262 1 5 THR HA 1 6 GLU H 2.800 2.400 2.800 2.390 2.343 2.439 0.057 21 0 "[ . 1 . 2 .]" 1
263 1 5 THR HB 1 6 GLU H 3.000 2.500 3.000 2.657 2.493 2.854 0.007 18 0 "[ . 1 . 2 .]" 1
264 1 6 GLU H 1 6 GLU QG 2.800 . 2.800 2.233 1.977 2.840 0.040 21 0 "[ . 1 . 2 .]" 1
265 1 6 GLU H 1 6 GLU QB 2.500 . 2.500 2.452 2.324 2.529 0.029 5 0 "[ . 1 . 2 .]" 1
266 1 7 GLU H 1 8 GLN H 2.800 2.500 2.800 2.693 2.581 2.802 0.002 9 0 "[ . 1 . 2 .]" 1
267 1 5 THR HB 1 7 GLU H 3.100 2.600 3.100 2.695 2.583 2.965 0.017 12 0 "[ . 1 . 2 .]" 1
268 1 7 GLU H 1 7 GLU HA 3.000 2.700 3.000 2.889 2.856 2.921 . 0 0 "[ . 1 . 2 .]" 1
269 1 6 GLU HA 1 7 GLU H 3.500 3.100 3.500 3.519 3.476 3.556 0.056 2 0 "[ . 1 . 2 .]" 1
270 1 7 GLU H 1 7 GLU HB2 2.700 . 2.700 2.504 2.352 2.604 . 0 0 "[ . 1 . 2 .]" 1
271 1 7 GLU H 1 7 GLU QG 3.100 . 3.100 2.155 1.991 2.444 0.009 1 0 "[ . 1 . 2 .]" 1
272 1 8 GLN H 1 9 ILE H 2.900 2.600 2.900 2.758 2.656 2.851 . 0 0 "[ . 1 . 2 .]" 1
273 1 8 GLN H 1 8 GLN HA 3.000 2.700 3.000 2.832 2.799 2.869 . 0 0 "[ . 1 . 2 .]" 1
274 1 8 GLN H 1 8 GLN HB2 2.700 . 2.700 2.400 2.344 2.527 . 0 0 "[ . 1 . 2 .]" 1
275 1 8 GLN H 1 8 GLN HB3 3.300 3.300 12.300 3.610 3.597 3.627 . 0 0 "[ . 1 . 2 .]" 1
276 1 9 ILE H 1 10 ALA H 2.900 2.600 2.900 2.568 2.534 2.592 0.066 6 0 "[ . 1 . 2 .]" 1
277 1 6 GLU HA 1 9 ILE H 3.600 3.200 3.600 3.570 3.452 3.634 0.034 5 0 "[ . 1 . 2 .]" 1
278 1 8 GLN HA 1 9 ILE H 3.600 3.300 3.600 3.551 3.536 3.560 . 0 0 "[ . 1 . 2 .]" 1
279 1 9 ILE H 1 9 ILE HA 3.000 2.700 3.000 2.887 2.878 2.904 . 0 0 "[ . 1 . 2 .]" 1
280 1 8 GLN HB2 1 9 ILE H 3.300 2.800 3.300 2.769 2.740 2.789 0.060 16 0 "[ . 1 . 2 .]" 1
281 1 9 ILE H 1 9 ILE HB 2.800 . 2.800 2.447 2.381 2.503 . 0 0 "[ . 1 . 2 .]" 1
282 1 9 ILE H 1 9 ILE HG13 3.000 . 3.000 2.272 2.187 2.410 . 0 0 "[ . 1 . 2 .]" 1
283 1 9 ILE H 1 9 ILE MG 3.500 3.500 12.500 3.769 3.752 3.782 . 0 0 "[ . 1 . 2 .]" 1
284 1 9 ILE H 1 9 ILE MD 3.500 3.500 12.500 3.493 3.472 3.531 0.028 9 0 "[ . 1 . 2 .]" 1
285 1 9 ILE H 1 9 ILE HG12 3.500 3.500 12.500 3.612 3.516 3.747 . 0 0 "[ . 1 . 2 .]" 1
286 1 10 ALA H 1 11 GLU H 2.900 2.600 2.900 2.623 2.538 2.705 0.062 12 0 "[ . 1 . 2 .]" 1
287 1 10 ALA H 1 10 ALA HA 2.900 2.600 2.900 2.894 2.868 2.907 0.007 13 0 "[ . 1 . 2 .]" 1
288 1 7 GLU HA 1 10 ALA H 3.500 3.000 3.500 3.261 3.166 3.360 . 0 0 "[ . 1 . 2 .]" 1
289 1 9 ILE HA 1 10 ALA H 3.600 3.200 3.600 3.538 3.523 3.557 . 0 0 "[ . 1 . 2 .]" 1
290 1 9 ILE HB 1 10 ALA H 3.300 2.700 3.300 2.735 2.665 2.828 0.035 12 0 "[ . 1 . 2 .]" 1
291 1 10 ALA H 1 10 ALA MB 2.800 . 2.800 2.175 2.146 2.243 . 0 0 "[ . 1 . 2 .]" 1
292 1 9 ILE MG 1 10 ALA H 3.500 . 3.500 3.458 3.353 3.522 0.022 23 0 "[ . 1 . 2 .]" 1
293 1 11 GLU H 1 12 PHE H 2.900 2.600 2.900 2.780 2.524 2.943 0.076 25 0 "[ . 1 . 2 .]" 1
294 1 11 GLU H 1 11 GLU HA 3.000 2.600 3.000 2.830 2.780 2.911 . 0 0 "[ . 1 . 2 .]" 1
295 1 8 GLN HA 1 11 GLU H 3.400 3.100 3.400 3.417 3.323 3.441 0.041 3 0 "[ . 1 . 2 .]" 1
296 1 11 GLU H 1 11 GLU QG 3.300 2.500 3.300 3.406 2.404 3.613 0.313 2 0 "[ . 1 . 2 .]" 1
297 1 11 GLU H 1 11 GLU QB 2.800 . 2.800 2.061 2.025 2.416 . 0 0 "[ . 1 . 2 .]" 1
298 1 10 ALA MB 1 11 GLU H 3.000 2.700 3.000 2.683 2.563 3.001 0.137 14 0 "[ . 1 . 2 .]" 1
299 1 12 PHE H 1 13 LYS H 2.900 2.500 2.900 2.585 2.447 2.759 0.053 7 0 "[ . 1 . 2 .]" 1
300 1 12 PHE H 1 12 PHE QD 3.200 2.800 3.200 2.809 2.651 2.989 0.149 7 0 "[ . 1 . 2 .]" 1
301 1 12 PHE H 1 12 PHE HA 3.000 2.700 3.000 2.886 2.847 2.934 . 0 0 "[ . 1 . 2 .]" 1
302 1 11 GLU HA 1 12 PHE H 3.600 3.100 3.600 3.564 3.504 3.588 . 0 0 "[ . 1 . 2 .]" 1
303 1 12 PHE H 1 12 PHE HB2 3.100 2.500 3.100 2.668 2.477 2.742 0.023 20 0 "[ . 1 . 2 .]" 1
304 1 11 GLU QB 1 12 PHE H 2.900 . 2.900 2.674 2.395 3.104 0.204 16 0 "[ . 1 . 2 .]" 1
305 1 13 LYS H 1 14 GLU H 2.900 2.600 2.900 2.730 2.596 2.863 0.004 24 0 "[ . 1 . 2 .]" 1
306 1 13 LYS H 1 65 PHE HZ 3.400 2.900 3.400 2.974 2.869 3.130 0.031 7 0 "[ . 1 . 2 .]" 1
307 1 13 LYS H 1 13 LYS HB3 2.900 . 2.900 2.528 2.452 2.597 . 0 0 "[ . 1 . 2 .]" 1
308 1 13 LYS H 1 13 LYS HB2 2.900 . 2.900 2.607 2.542 2.664 . 0 0 "[ . 1 . 2 .]" 1
309 1 10 ALA HA 1 13 LYS H 3.400 3.100 3.400 3.192 3.054 3.428 0.046 20 0 "[ . 1 . 2 .]" 1
310 1 12 PHE HA 1 13 LYS H 3.600 3.200 3.600 3.523 3.484 3.552 . 0 0 "[ . 1 . 2 .]" 1
311 1 14 GLU H 1 15 ALA H 2.900 2.600 2.900 2.688 2.581 2.842 0.019 14 0 "[ . 1 . 2 .]" 1
312 1 10 ALA HA 1 14 GLU H 4.000 3.500 4.000 4.060 3.998 4.135 0.135 17 0 "[ . 1 . 2 .]" 1
313 1 11 GLU HA 1 14 GLU H 3.500 2.900 3.500 3.580 3.531 3.624 0.124 15 0 "[ . 1 . 2 .]" 1
314 1 14 GLU H 1 14 GLU QG 3.000 . 3.000 1.991 1.952 2.128 0.048 18 0 "[ . 1 . 2 .]" 1
315 1 13 LYS HA 1 14 GLU H 3.600 3.300 3.600 3.584 3.542 3.609 0.009 17 0 "[ . 1 . 2 .]" 1
316 1 14 GLU H 1 14 GLU QB 2.700 . 2.700 2.660 2.520 2.762 0.062 10 0 "[ . 1 . 2 .]" 1
317 1 13 LYS HB3 1 14 GLU H 3.000 . 3.000 2.565 2.395 2.778 . 0 0 "[ . 1 . 2 .]" 1
318 1 13 LYS QG 1 14 GLU H 3.700 3.200 3.700 3.528 3.316 3.666 . 0 0 "[ . 1 . 2 .]" 1
319 1 15 ALA H 1 16 PHE H 2.900 2.600 2.900 2.647 2.569 2.775 0.031 21 0 "[ . 1 . 2 .]" 1
320 1 12 PHE HA 1 15 ALA H 3.400 3.100 3.400 3.439 3.397 3.469 0.069 25 0 "[ . 1 . 2 .]" 1
321 1 15 ALA H 1 15 ALA HA 2.900 2.600 2.900 2.858 2.812 2.888 . 0 0 "[ . 1 . 2 .]" 1
322 1 14 GLU HA 1 15 ALA H 3.500 3.200 3.500 3.545 3.534 3.564 0.064 8 0 "[ . 1 . 2 .]" 1
323 1 14 GLU QG 1 15 ALA H 3.500 2.900 3.500 3.628 3.549 3.747 0.247 25 0 "[ . 1 . 2 .]" 1
324 1 14 GLU QB 1 15 ALA H 2.700 . 2.700 2.347 2.087 2.545 . 0 0 "[ . 1 . 2 .]" 1
325 1 15 ALA H 1 15 ALA MB 2.600 . 2.600 2.247 2.214 2.272 . 0 0 "[ . 1 . 2 .]" 1
326 1 16 PHE H 1 17 SER H 2.900 2.600 2.900 2.565 2.544 2.606 0.056 10 0 "[ . 1 . 2 .]" 1
327 1 15 ALA HA 1 16 PHE H 3.600 3.300 3.600 3.501 3.471 3.530 . 0 0 "[ . 1 . 2 .]" 1
328 1 16 PHE H 1 16 PHE HA 2.900 2.600 2.900 2.907 2.887 2.920 0.020 16 0 "[ . 1 . 2 .]" 1
329 1 16 PHE H 1 16 PHE HB3 2.900 . 2.900 2.646 2.609 2.679 . 0 0 "[ . 1 . 2 .]" 1
330 1 16 PHE H 1 16 PHE HB2 2.900 . 2.900 2.480 2.435 2.523 . 0 0 "[ . 1 . 2 .]" 1
331 1 15 ALA MB 1 16 PHE H 3.100 2.700 3.100 2.745 2.683 2.839 0.017 8 0 "[ . 1 . 2 .]" 1
332 1 12 PHE HA 1 16 PHE H 4.000 3.300 4.000 3.935 3.784 4.029 0.029 2 0 "[ . 1 . 2 .]" 1
333 1 17 SER H 1 18 LEU H 2.900 2.600 2.900 2.607 2.560 2.673 0.040 22 0 "[ . 1 . 2 .]" 1
334 1 17 SER H 1 17 SER HG 3.300 2.700 3.300 3.000 2.691 3.303 0.009 24 0 "[ . 1 . 2 .]" 1
335 1 17 SER H 1 17 SER HA 3.000 2.700 3.000 2.877 2.856 2.893 . 0 0 "[ . 1 . 2 .]" 1
336 1 17 SER H 1 17 SER QB 2.800 . 2.800 2.508 2.175 2.759 . 0 0 "[ . 1 . 2 .]" 1
337 1 14 GLU HA 1 17 SER H 3.800 . 3.800 3.482 3.273 3.680 . 0 0 "[ . 1 . 2 .]" 1
338 1 16 PHE HA 1 17 SER H 3.500 3.200 3.500 3.554 3.533 3.567 0.067 16 0 "[ . 1 . 2 .]" 1
339 1 16 PHE HB3 1 17 SER H 3.100 . 3.100 2.508 2.267 2.741 . 0 0 "[ . 1 . 2 .]" 1
340 1 16 PHE HB2 1 17 SER H 3.400 3.400 12.400 3.736 3.601 3.867 . 0 0 "[ . 1 . 2 .]" 1
341 1 18 LEU H 1 19 PHE H 2.900 2.600 2.900 2.781 2.676 2.890 . 0 0 "[ . 1 . 2 .]" 1
342 1 15 ALA HA 1 18 LEU H 3.600 3.200 3.600 3.596 3.323 3.659 0.059 19 0 "[ . 1 . 2 .]" 1
343 1 17 SER HA 1 18 LEU H 3.600 3.300 3.600 3.504 3.446 3.535 . 0 0 "[ . 1 . 2 .]" 1
344 1 17 SER QB 1 18 LEU H 3.400 3.000 3.400 3.277 2.973 3.476 0.076 25 0 "[ . 1 . 2 .]" 1
345 1 18 LEU H 1 18 LEU HA 2.800 2.500 2.800 2.811 2.777 2.846 0.046 7 0 "[ . 1 . 2 .]" 1
346 1 18 LEU H 1 18 LEU HB2 2.900 . 2.900 2.267 2.183 2.380 . 0 0 "[ . 1 . 2 .]" 1
347 1 18 LEU H 1 18 LEU HB3 3.800 3.300 3.800 3.567 3.517 3.613 . 0 0 "[ . 1 . 2 .]" 1
348 1 18 LEU H 1 18 LEU HG 2.900 . 2.900 2.766 2.470 2.943 0.043 23 0 "[ . 1 . 2 .]" 1
349 1 18 LEU H 1 18 LEU QD 3.800 3.000 3.800 3.370 3.243 3.452 . 0 0 "[ . 1 . 2 .]" 1
350 1 19 PHE H 1 20 ASP H 2.700 2.100 2.700 2.405 2.285 2.584 . 0 0 "[ . 1 . 2 .]" 1
351 1 19 PHE H 1 19 PHE HA 3.000 2.600 3.000 3.010 3.006 3.013 0.013 25 0 "[ . 1 . 2 .]" 1
352 1 18 LEU HA 1 19 PHE H 3.600 3.200 3.600 3.472 3.438 3.502 . 0 0 "[ . 1 . 2 .]" 1
353 1 16 PHE HA 1 19 PHE H 4.000 3.400 4.000 4.041 4.010 4.069 0.069 15 0 "[ . 1 . 2 .]" 1
354 1 19 PHE H 1 19 PHE HB3 3.200 3.200 12.200 3.790 3.759 3.813 . 0 0 "[ . 1 . 2 .]" 1
355 1 19 PHE H 1 19 PHE HB2 2.800 . 2.800 2.630 2.555 2.676 . 0 0 "[ . 1 . 2 .]" 1
356 1 18 LEU HB2 1 19 PHE H 3.500 3.000 3.500 3.213 3.023 3.335 . 0 0 "[ . 1 . 2 .]" 1
357 1 18 LEU HB3 1 19 PHE H 3.700 3.200 3.700 3.719 3.657 3.754 0.054 20 0 "[ . 1 . 2 .]" 1
358 1 18 LEU HG 1 19 PHE H 3.300 3.300 12.300 4.893 4.733 4.984 . 0 0 "[ . 1 . 2 .]" 1
359 1 17 SER HA 1 19 PHE H 3.800 3.200 3.800 3.555 3.449 3.719 . 0 0 "[ . 1 . 2 .]" 1
360 1 20 ASP H 1 21 LYS H 3.600 3.200 3.600 3.609 3.574 3.628 0.028 25 0 "[ . 1 . 2 .]" 1
361 1 20 ASP H 1 20 ASP HA 3.100 2.800 3.100 2.986 2.982 2.988 . 0 0 "[ . 1 . 2 .]" 1
362 1 17 SER HA 1 20 ASP H 3.400 2.800 3.400 3.129 3.025 3.357 . 0 0 "[ . 1 . 2 .]" 1
363 1 19 PHE HA 1 20 ASP H 3.400 2.800 3.400 3.074 2.985 3.168 . 0 0 "[ . 1 . 2 .]" 1
364 1 20 ASP H 1 20 ASP HB3 2.700 . 2.700 2.505 2.449 2.571 . 0 0 "[ . 1 . 2 .]" 1
365 1 20 ASP H 1 20 ASP HB2 3.400 2.900 3.400 2.904 2.858 2.959 0.042 25 0 "[ . 1 . 2 .]" 1
366 1 20 ASP H 1 27 ILE MG 3.600 3.200 3.600 3.661 3.613 3.687 0.087 14 0 "[ . 1 . 2 .]" 1
367 1 18 LEU HA 1 20 ASP H 4.220 3.400 4.220 4.098 4.032 4.189 . 0 0 "[ . 1 . 2 .]" 1
368 1 21 LYS H 1 22 ASP H 2.900 2.600 2.900 2.646 2.602 2.683 . 0 0 "[ . 1 . 2 .]" 1
369 1 20 ASP HA 1 21 LYS H 2.500 . 2.500 2.511 2.492 2.531 0.031 24 0 "[ . 1 . 2 .]" 1
370 1 21 LYS H 1 21 LYS HA 3.000 2.600 3.000 2.894 2.875 2.912 . 0 0 "[ . 1 . 2 .]" 1
371 1 21 LYS H 1 21 LYS QB 2.600 . 2.600 2.455 2.399 2.492 . 0 0 "[ . 1 . 2 .]" 1
372 1 21 LYS H 1 21 LYS QG 2.900 . 2.900 2.117 2.049 2.208 . 0 0 "[ . 1 . 2 .]" 1
373 1 21 LYS H 1 21 LYS QD 3.700 3.100 3.700 3.719 3.652 3.748 0.048 3 0 "[ . 1 . 2 .]" 1
374 1 22 ASP H 1 23 GLY H 2.700 2.400 2.700 2.362 2.332 2.389 0.068 9 0 "[ . 1 . 2 .]" 1
375 1 20 ASP HA 1 22 ASP H 3.600 3.200 3.600 3.107 3.086 3.125 0.114 24 0 "[ . 1 . 2 .]" 1
376 1 22 ASP H 1 22 ASP HA 3.100 2.800 3.100 2.981 2.979 2.983 . 0 0 "[ . 1 . 2 .]" 1
377 1 21 LYS HA 1 22 ASP H 3.100 2.800 3.100 3.261 3.219 3.294 0.194 13 0 "[ . 1 . 2 .]" 1
378 1 22 ASP H 1 22 ASP HB2 2.900 . 2.900 2.528 2.377 2.731 . 0 0 "[ . 1 . 2 .]" 1
379 1 22 ASP H 1 22 ASP HB3 3.000 3.000 12.000 3.686 3.641 3.712 . 0 0 "[ . 1 . 2 .]" 1
380 1 21 LYS QB 1 22 ASP H 3.200 . 3.200 3.320 3.266 3.386 0.186 10 0 "[ . 1 . 2 .]" 1
381 1 23 GLY H 1 24 ASP H 2.700 2.400 2.700 2.762 2.748 2.776 0.076 25 0 "[ . 1 . 2 .]" 1
382 1 22 ASP HA 1 23 GLY H 3.300 2.800 3.300 3.284 3.242 3.311 0.011 9 0 "[ . 1 . 2 .]" 1
383 1 23 GLY H 1 23 GLY QA 2.500 . 2.500 2.235 2.233 2.237 . 0 0 "[ . 1 . 2 .]" 1
384 1 22 ASP HB3 1 23 GLY H 3.200 3.200 12.200 4.330 4.203 4.460 . 0 0 "[ . 1 . 2 .]" 1
385 1 22 ASP HB2 1 23 GLY H 3.800 3.200 3.800 3.596 3.529 3.655 . 0 0 "[ . 1 . 2 .]" 1
386 1 21 LYS HA 1 23 GLY H 3.800 3.200 3.800 3.535 3.446 3.620 . 0 0 "[ . 1 . 2 .]" 1
387 1 24 ASP H 1 25 GLY H 2.700 2.300 2.700 2.308 2.269 2.373 0.031 13 0 "[ . 1 . 2 .]" 1
388 1 24 ASP H 1 26 THR H 3.700 3.200 3.700 3.411 3.290 3.542 . 0 0 "[ . 1 . 2 .]" 1
389 1 24 ASP H 1 24 ASP HA 3.100 2.700 3.100 2.987 2.985 2.990 . 0 0 "[ . 1 . 2 .]" 1
390 1 23 GLY QA 1 24 ASP H 3.200 2.700 3.200 2.874 2.844 2.901 . 0 0 "[ . 1 . 2 .]" 1
391 1 24 ASP H 1 24 ASP HB3 3.100 2.600 3.100 2.647 2.549 2.710 0.051 1 0 "[ . 1 . 2 .]" 1
392 1 24 ASP H 1 24 ASP HB2 3.100 2.600 3.100 2.724 2.658 2.858 . 0 0 "[ . 1 . 2 .]" 1
393 1 25 GLY H 1 26 THR H 2.800 2.400 2.800 2.539 2.483 2.609 . 0 0 "[ . 1 . 2 .]" 1
394 1 24 ASP HA 1 25 GLY H 3.500 3.100 3.500 3.306 3.262 3.355 . 0 0 "[ . 1 . 2 .]" 1
395 1 26 THR H 1 27 ILE H 3.300 3.300 12.300 4.454 4.443 4.464 . 0 0 "[ . 1 . 2 .]" 1
396 1 16 PHE QE 1 26 THR H 3.400 2.800 3.400 3.493 3.476 3.515 0.115 24 0 "[ . 1 . 2 .]" 1
397 1 26 THR H 1 26 THR HA 3.100 2.800 3.100 2.977 2.971 2.982 . 0 0 "[ . 1 . 2 .]" 1
398 1 26 THR H 1 26 THR HG1 2.800 2.400 2.800 2.581 2.411 2.784 . 0 0 "[ . 1 . 2 .]" 1
399 1 25 GLY HA3 1 26 THR H 3.600 3.200 3.600 3.532 3.505 3.558 . 0 0 "[ . 1 . 2 .]" 1
400 1 25 GLY HA2 1 26 THR H 3.600 3.200 3.600 3.044 3.019 3.088 0.181 10 0 "[ . 1 . 2 .]" 1
401 1 26 THR H 1 26 THR MG 3.200 2.700 3.200 2.868 2.821 2.924 . 0 0 "[ . 1 . 2 .]" 1
402 1 26 THR H 1 26 THR HB 3.500 3.500 12.500 3.907 3.892 3.923 . 0 0 "[ . 1 . 2 .]" 1
403 1 27 ILE H 1 28 THR H 3.300 3.300 12.300 4.448 4.439 4.454 . 0 0 "[ . 1 . 2 .]" 1
404 1 16 PHE HZ 1 27 ILE H 3.400 2.800 3.400 2.767 2.744 2.796 0.056 7 0 "[ . 1 . 2 .]" 1
405 1 27 ILE H 1 27 ILE MG 3.900 3.000 3.900 2.974 2.948 3.004 0.052 10 0 "[ . 1 . 2 .]" 1
406 1 26 THR HA 1 27 ILE H 2.700 2.300 2.700 2.447 2.428 2.467 . 0 0 "[ . 1 . 2 .]" 1
407 1 26 THR HB 1 27 ILE H 2.800 . 2.800 2.429 2.393 2.463 . 0 0 "[ . 1 . 2 .]" 1
408 1 27 ILE H 1 27 ILE HA 3.100 2.800 3.100 2.981 2.979 2.984 . 0 0 "[ . 1 . 2 .]" 1
409 1 27 ILE H 1 27 ILE HB 3.300 3.300 12.300 3.896 3.886 3.904 . 0 0 "[ . 1 . 2 .]" 1
410 1 27 ILE H 1 27 ILE HG12 2.800 2.300 2.800 2.303 2.268 2.353 0.032 23 0 "[ . 1 . 2 .]" 1
411 1 27 ILE H 1 27 ILE HG13 3.000 3.000 12.000 3.041 2.997 3.100 0.003 13 0 "[ . 1 . 2 .]" 1
412 1 27 ILE H 1 63 ILE HB 4.000 3.500 4.000 3.728 3.642 3.824 . 0 0 "[ . 1 . 2 .]" 1
413 1 28 THR H 1 29 THR H 3.000 3.000 12.000 4.600 4.583 4.613 . 0 0 "[ . 1 . 2 .]" 1
414 1 28 THR H 1 28 THR HA 3.100 2.800 3.100 2.951 2.939 2.961 . 0 0 "[ . 1 . 2 .]" 1
415 1 27 ILE HA 1 28 THR H 2.500 . 2.500 2.466 2.403 2.504 0.004 20 0 "[ . 1 . 2 .]" 1
416 1 28 THR H 1 28 THR HB 3.600 3.200 3.600 3.658 3.645 3.667 0.067 16 0 "[ . 1 . 2 .]" 1
417 1 28 THR H 1 31 GLU QG 3.800 3.300 3.800 3.760 3.589 3.842 0.042 18 0 "[ . 1 . 2 .]" 1
418 1 28 THR H 1 31 GLU HB2 3.600 3.200 3.600 3.157 3.142 3.173 0.058 20 0 "[ . 1 . 2 .]" 1
419 1 27 ILE HB 1 28 THR H 2.600 . 2.600 2.513 2.401 2.615 0.015 5 0 "[ . 1 . 2 .]" 1
420 1 28 THR H 1 28 THR MG 2.900 . 2.900 1.981 1.968 2.000 0.032 15 0 "[ . 1 . 2 .]" 1
421 1 27 ILE HG13 1 28 THR H 3.800 3.400 3.800 3.645 3.537 3.763 . 0 0 "[ . 1 . 2 .]" 1
422 1 27 ILE HG12 1 28 THR H 3.500 3.500 12.500 4.682 4.604 4.757 . 0 0 "[ . 1 . 2 .]" 1
423 1 29 THR H 1 30 LYS H 2.900 2.600 2.900 2.524 2.496 2.551 0.104 15 0 "[ . 1 . 2 .]" 1
424 1 29 THR H 1 62 THR HA 3.400 3.100 3.400 3.121 3.057 3.356 0.043 15 0 "[ . 1 . 2 .]" 1
425 1 28 THR HA 1 29 THR H 2.600 . 2.600 2.433 2.402 2.453 . 0 0 "[ . 1 . 2 .]" 1
426 1 28 THR HB 1 29 THR H 2.700 . 2.700 2.577 2.527 2.651 . 0 0 "[ . 1 . 2 .]" 1
427 1 29 THR H 1 29 THR HB 3.500 3.200 3.500 3.554 3.534 3.577 0.077 11 0 "[ . 1 . 2 .]" 1
428 1 29 THR H 1 29 THR HA 3.000 2.600 3.000 2.884 2.867 2.895 . 0 0 "[ . 1 . 2 .]" 1
429 1 29 THR H 1 29 THR MG 2.900 . 2.900 2.503 2.292 2.623 . 0 0 "[ . 1 . 2 .]" 1
430 1 30 LYS H 1 31 GLU H 2.900 2.500 2.900 2.663 2.618 2.705 . 0 0 "[ . 1 . 2 .]" 1
431 1 28 THR HB 1 30 LYS H 3.000 2.600 3.000 3.066 3.034 3.106 0.106 11 0 "[ . 1 . 2 .]" 1
432 1 29 THR HB 1 30 LYS H 3.600 3.300 3.600 3.664 3.642 3.685 0.085 24 0 "[ . 1 . 2 .]" 1
433 1 30 LYS H 1 30 LYS HA 2.900 2.600 2.900 2.847 2.825 2.863 . 0 0 "[ . 1 . 2 .]" 1
434 1 29 THR HA 1 30 LYS H 3.600 3.200 3.600 3.509 3.488 3.524 . 0 0 "[ . 1 . 2 .]" 1
435 1 30 LYS H 1 30 LYS QB 2.700 . 2.700 2.433 2.353 2.475 . 0 0 "[ . 1 . 2 .]" 1
436 1 30 LYS H 1 30 LYS QG 3.000 2.100 3.000 2.166 2.075 2.331 0.025 20 0 "[ . 1 . 2 .]" 1
437 1 30 LYS H 1 30 LYS QD 3.900 3.000 3.900 3.705 3.341 3.918 0.018 25 0 "[ . 1 . 2 .]" 1
438 1 31 GLU H 1 32 LEU H 2.800 2.400 2.800 2.473 2.358 2.560 0.042 23 0 "[ . 1 . 2 .]" 1
439 1 28 THR HG1 1 31 GLU H 3.200 2.700 3.200 2.970 2.703 3.090 . 0 0 "[ . 1 . 2 .]" 1
440 1 31 GLU H 1 31 GLU HA 3.100 2.800 3.100 2.996 2.993 3.000 . 0 0 "[ . 1 . 2 .]" 1
441 1 30 LYS HA 1 31 GLU H 3.400 3.000 3.400 3.488 3.477 3.496 0.096 14 0 "[ . 1 . 2 .]" 1
442 1 29 THR HA 1 31 GLU H 3.800 3.300 3.800 3.861 3.842 3.880 0.080 9 0 "[ . 1 . 2 .]" 1
443 1 31 GLU H 1 31 GLU QG 3.000 2.100 3.000 2.347 2.262 2.399 . 0 0 "[ . 1 . 2 .]" 1
444 1 31 GLU H 1 31 GLU QB 2.900 . 2.900 2.552 2.531 2.582 . 0 0 "[ . 1 . 2 .]" 1
445 1 30 LYS QB 1 31 GLU H 3.000 2.100 3.000 2.874 2.830 2.935 . 0 0 "[ . 1 . 2 .]" 1
446 1 28 THR MG 1 31 GLU H 4.000 3.500 4.000 4.109 4.090 4.125 0.125 11 0 "[ . 1 . 2 .]" 1
447 1 32 LEU H 1 33 GLY H 3.100 2.700 3.100 2.748 2.686 2.920 0.014 10 0 "[ . 1 . 2 .]" 1
448 1 32 LEU H 1 32 LEU HA 3.000 2.700 3.000 2.874 2.823 2.893 . 0 0 "[ . 1 . 2 .]" 1
449 1 29 THR HA 1 32 LEU H 3.500 2.600 3.500 3.358 3.137 3.510 0.010 6 0 "[ . 1 . 2 .]" 1
450 1 32 LEU H 1 32 LEU HB2 2.700 . 2.700 2.692 2.641 2.722 0.022 21 0 "[ . 1 . 2 .]" 1
451 1 32 LEU H 1 32 LEU HB3 2.900 . 2.900 2.447 2.408 2.486 . 0 0 "[ . 1 . 2 .]" 1
452 1 32 LEU H 1 32 LEU HG 3.400 3.400 12.400 4.419 4.385 4.459 . 0 0 "[ . 1 . 2 .]" 1
453 1 27 ILE MD 1 32 LEU H 4.500 3.000 4.500 4.475 4.332 4.536 0.036 6 0 "[ . 1 . 2 .]" 1
454 1 33 GLY H 1 34 THR H 3.000 2.600 3.000 2.630 2.596 2.699 0.004 10 0 "[ . 1 . 2 .]" 1
455 1 33 GLY H 1 33 GLY HA3 2.600 . 2.600 2.347 2.341 2.351 . 0 0 "[ . 1 . 2 .]" 1
456 1 33 GLY H 1 33 GLY HA2 3.100 2.800 3.100 2.861 2.842 2.871 . 0 0 "[ . 1 . 2 .]" 1
457 1 32 LEU HB3 1 33 GLY H 2.800 2.500 2.800 2.450 2.423 2.469 0.077 15 0 "[ . 1 . 2 .]" 1
458 1 33 GLY H 1 48 LEU QD 2.900 . 2.900 2.924 2.857 2.976 0.076 2 0 "[ . 1 . 2 .]" 1
459 1 32 LEU HG 1 33 GLY H 3.800 2.800 3.800 3.325 3.200 3.408 . 0 0 "[ . 1 . 2 .]" 1
460 1 32 LEU HB2 1 33 GLY H 3.300 3.300 12.300 3.856 3.838 3.871 . 0 0 "[ . 1 . 2 .]" 1
461 1 34 THR H 1 35 VAL H 2.900 2.600 2.900 2.601 2.571 2.657 0.029 4 0 "[ . 1 . 2 .]" 1
462 1 34 THR H 1 34 THR HG1 3.200 2.700 3.200 3.009 2.723 3.208 0.008 2 0 "[ . 1 . 2 .]" 1
463 1 31 GLU HA 1 34 THR H 3.100 2.800 3.100 3.135 3.102 3.169 0.069 1 0 "[ . 1 . 2 .]" 1
464 1 34 THR H 1 34 THR HB 2.900 2.500 2.900 2.749 2.702 2.801 . 0 0 "[ . 1 . 2 .]" 1
465 1 33 GLY HA3 1 34 THR H 3.100 2.700 3.100 3.024 2.935 3.074 . 0 0 "[ . 1 . 2 .]" 1
466 1 33 GLY HA2 1 34 THR H 3.300 3.300 12.300 3.500 3.471 3.546 . 0 0 "[ . 1 . 2 .]" 1
467 1 35 VAL H 1 36 MET H 2.900 2.600 2.900 2.682 2.611 2.813 . 0 0 "[ . 1 . 2 .]" 1
468 1 34 THR HB 1 35 VAL H 3.000 2.600 3.000 2.599 2.579 2.651 0.021 10 0 "[ . 1 . 2 .]" 1
469 1 34 THR HA 1 35 VAL H 3.500 3.100 3.500 3.554 3.543 3.560 0.060 12 0 "[ . 1 . 2 .]" 1
470 1 32 LEU HA 1 35 VAL H 3.500 3.100 3.500 3.510 3.363 3.541 0.041 9 0 "[ . 1 . 2 .]" 1
471 1 35 VAL H 1 35 VAL HA 3.000 2.700 3.000 2.880 2.860 2.892 . 0 0 "[ . 1 . 2 .]" 1
472 1 35 VAL H 1 35 VAL HB 2.600 . 2.600 2.491 2.446 2.584 . 0 0 "[ . 1 . 2 .]" 1
473 1 34 THR MG 1 35 VAL H 3.800 3.300 3.800 3.781 3.700 3.830 0.030 9 0 "[ . 1 . 2 .]" 1
474 1 35 VAL H 1 35 VAL MG1 4.000 3.400 4.000 3.773 3.763 3.784 . 0 0 "[ . 1 . 2 .]" 1
475 1 35 VAL H 1 35 VAL MG2 2.800 . 2.800 2.156 2.087 2.226 . 0 0 "[ . 1 . 2 .]" 1
476 1 36 MET H 1 36 MET HA 3.000 2.700 3.000 2.834 2.812 2.857 . 0 0 "[ . 1 . 2 .]" 1
477 1 33 GLY HA3 1 36 MET H 3.500 3.500 12.500 4.884 4.767 5.069 . 0 0 "[ . 1 . 2 .]" 1
478 1 33 GLY HA2 1 36 MET H 4.000 3.500 4.000 3.545 3.476 3.739 0.024 21 0 "[ . 1 . 2 .]" 1
479 1 36 MET H 1 36 MET HG3 3.300 2.600 3.300 3.078 2.530 3.412 0.112 14 0 "[ . 1 . 2 .]" 1
480 1 36 MET H 1 36 MET HG2 3.300 2.600 3.300 2.842 2.553 3.340 0.047 3 0 "[ . 1 . 2 .]" 1
481 1 36 MET H 1 36 MET HB2 2.800 2.200 2.800 2.359 2.313 2.407 . 0 0 "[ . 1 . 2 .]" 1
482 1 35 VAL HB 1 36 MET H 2.800 2.200 2.800 2.407 2.293 2.519 . 0 0 "[ . 1 . 2 .]" 1
483 1 35 VAL MG1 1 36 MET H 3.400 3.000 3.400 3.250 3.136 3.380 . 0 0 "[ . 1 . 2 .]" 1
484 1 37 ARG H 1 38 SER H 2.900 2.600 2.900 2.603 2.564 2.670 0.036 2 0 "[ . 1 . 2 .]" 1
485 1 37 ARG H 1 37 ARG HA 3.000 2.700 3.000 2.877 2.855 2.892 . 0 0 "[ . 1 . 2 .]" 1
486 1 36 MET HA 1 37 ARG H 3.600 3.100 3.600 3.545 3.521 3.563 . 0 0 "[ . 1 . 2 .]" 1
487 1 34 THR HA 1 37 ARG H 3.400 3.000 3.400 3.439 3.398 3.465 0.065 3 0 "[ . 1 . 2 .]" 1
488 1 36 MET HB2 1 37 ARG H 3.000 2.500 3.000 2.774 2.652 2.904 . 0 0 "[ . 1 . 2 .]" 1
489 1 37 ARG H 1 37 ARG QB 2.800 . 2.800 2.262 2.232 2.311 . 0 0 "[ . 1 . 2 .]" 1
490 1 38 SER H 1 39 LEU H 2.900 2.600 2.900 2.622 2.561 2.755 0.039 23 0 "[ . 1 . 2 .]" 1
491 1 38 SER H 1 38 SER HG 3.400 2.900 3.400 3.098 2.899 3.438 0.038 20 0 "[ . 1 . 2 .]" 1
492 1 37 ARG HA 1 38 SER H 3.500 3.100 3.500 3.514 3.472 3.547 0.047 8 0 "[ . 1 . 2 .]" 1
493 1 38 SER H 1 38 SER HA 3.000 2.700 3.000 2.863 2.838 2.887 . 0 0 "[ . 1 . 2 .]" 1
494 1 38 SER H 1 38 SER QB 2.800 . 2.800 2.333 2.234 2.540 . 0 0 "[ . 1 . 2 .]" 1
495 1 35 VAL HA 1 38 SER H 3.300 2.900 3.300 3.293 3.234 3.327 0.027 8 0 "[ . 1 . 2 .]" 1
496 1 37 ARG QB 1 38 SER H 3.100 2.600 3.100 2.823 2.675 2.986 . 0 0 "[ . 1 . 2 .]" 1
497 1 39 LEU H 1 40 GLY H 2.800 2.500 2.800 2.558 2.484 2.616 0.016 23 0 "[ . 1 . 2 .]" 1
498 1 39 LEU H 1 41 GLN H 3.700 3.200 3.700 3.501 3.400 3.618 . 0 0 "[ . 1 . 2 .]" 1
499 1 38 SER HG 1 39 LEU H 3.400 2.900 3.400 3.186 2.881 3.407 0.019 23 0 "[ . 1 . 2 .]" 1
500 1 39 LEU H 1 39 LEU HA 3.000 2.700 3.000 2.934 2.907 2.959 . 0 0 "[ . 1 . 2 .]" 1
501 1 38 SER QB 1 39 LEU H 3.600 3.200 3.600 3.471 3.352 3.611 0.011 23 0 "[ . 1 . 2 .]" 1
502 1 39 LEU H 1 39 LEU QB 2.700 . 2.700 2.566 2.483 2.654 . 0 0 "[ . 1 . 2 .]" 1
503 1 40 GLY H 1 41 GLN H 2.900 2.400 2.900 2.381 2.364 2.401 0.036 9 0 "[ . 1 . 2 .]" 1
504 1 37 ARG HA 1 40 GLY H 3.600 3.200 3.600 3.387 3.243 3.504 . 0 0 "[ . 1 . 2 .]" 1
505 1 39 LEU HA 1 40 GLY H 3.300 2.900 3.300 3.289 3.255 3.308 0.008 9 0 "[ . 1 . 2 .]" 1
506 1 38 SER HA 1 40 GLY H 3.600 3.300 3.600 3.604 3.562 3.648 0.048 6 0 "[ . 1 . 2 .]" 1
507 1 37 ARG HA 1 41 GLN H 3.000 2.700 3.000 2.845 2.683 3.031 0.031 10 0 "[ . 1 . 2 .]" 1
508 1 41 GLN H 1 41 GLN HA 3.000 2.600 3.000 2.992 2.987 3.005 0.005 21 0 "[ . 1 . 2 .]" 1
509 1 41 GLN H 1 41 GLN QG 3.100 2.200 3.100 2.626 2.342 2.878 . 0 0 "[ . 1 . 2 .]" 1
510 1 41 GLN H 1 41 GLN HB2 2.900 2.400 2.900 2.469 2.390 2.604 0.010 4 0 "[ . 1 . 2 .]" 1
511 1 40 GLY HA2 1 41 GLN H 3.100 3.100 12.100 3.129 3.071 3.189 0.029 21 0 "[ . 1 . 2 .]" 1
512 1 40 GLY HA3 1 41 GLN H 3.100 3.100 12.100 3.458 3.421 3.498 . 0 0 "[ . 1 . 2 .]" 1
513 1 42 ASN H 1 42 ASN HA 3.100 2.800 3.100 3.001 2.994 3.005 . 0 0 "[ . 1 . 2 .]" 1
514 1 41 GLN HA 1 42 ASN H 2.700 2.300 2.700 2.288 2.263 2.352 0.037 21 0 "[ . 1 . 2 .]" 1
515 1 42 ASN H 1 43 PRO HD3 3.400 3.000 3.400 2.946 2.875 2.981 0.125 16 0 "[ . 1 . 2 .]" 1
516 1 42 ASN H 1 42 ASN HB2 3.150 2.750 3.150 3.117 3.039 3.171 0.021 8 0 "[ . 1 . 2 .]" 1
517 1 42 ASN H 1 42 ASN HB3 3.150 2.750 3.150 2.820 2.748 2.902 0.002 17 0 "[ . 1 . 2 .]" 1
518 1 41 GLN HB3 1 42 ASN H 3.100 2.700 3.100 3.022 2.801 3.120 0.020 25 0 "[ . 1 . 2 .]" 1
519 1 43 PRO HA 1 44 THR H 2.500 . 2.500 2.362 2.321 2.401 . 0 0 "[ . 1 . 2 .]" 1
520 1 44 THR H 1 44 THR HA 3.000 2.700 3.000 2.896 2.893 2.900 . 0 0 "[ . 1 . 2 .]" 1
521 1 44 THR H 1 47 GLU QG 3.100 2.600 3.100 3.156 3.125 3.183 0.083 18 0 "[ . 1 . 2 .]" 1
522 1 44 THR H 1 47 GLU HB2 3.100 2.600 3.100 2.565 2.547 2.590 0.053 9 0 "[ . 1 . 2 .]" 1
523 1 43 PRO HB2 1 44 THR H 3.600 3.200 3.600 3.262 3.172 3.375 0.028 21 0 "[ . 1 . 2 .]" 1
524 1 44 THR H 1 44 THR MG 2.800 . 2.800 2.272 2.012 2.400 . 0 0 "[ . 1 . 2 .]" 1
525 1 45 GLU H 1 46 ALA H 3.100 2.700 3.100 2.713 2.661 2.794 0.039 12 0 "[ . 1 . 2 .]" 1
526 1 44 THR HA 1 45 GLU H 2.700 2.200 2.700 2.513 2.449 2.584 . 0 0 "[ . 1 . 2 .]" 1
527 1 44 THR HB 1 45 GLU H 2.700 2.200 2.700 2.283 2.190 2.409 0.010 16 0 "[ . 1 . 2 .]" 1
528 1 45 GLU H 1 45 GLU HA 2.900 2.500 2.900 2.860 2.839 2.880 . 0 0 "[ . 1 . 2 .]" 1
529 1 45 GLU H 1 45 GLU QG 2.900 . 2.900 2.453 2.171 2.953 0.053 7 0 "[ . 1 . 2 .]" 1
530 1 45 GLU H 1 45 GLU QB 2.600 . 2.600 2.310 2.252 2.446 . 0 0 "[ . 1 . 2 .]" 1
531 1 46 ALA H 1 47 GLU H 2.900 2.600 2.900 2.672 2.588 2.739 0.012 11 0 "[ . 1 . 2 .]" 1
532 1 44 THR HB 1 46 ALA H 3.000 2.600 3.000 2.958 2.796 3.035 0.035 4 0 "[ . 1 . 2 .]" 1
533 1 46 ALA H 1 46 ALA HA 2.900 2.600 2.900 2.869 2.846 2.895 . 0 0 "[ . 1 . 2 .]" 1
534 1 45 GLU QB 1 46 ALA H 2.800 2.200 2.800 2.600 2.479 2.783 . 0 0 "[ . 1 . 2 .]" 1
535 1 46 ALA H 1 46 ALA MB 2.600 . 2.600 2.213 2.194 2.276 . 0 0 "[ . 1 . 2 .]" 1
536 1 47 GLU H 1 48 LEU H 2.900 2.600 2.900 2.630 2.576 2.673 0.024 13 0 "[ . 1 . 2 .]" 1
537 1 44 THR HG1 1 47 GLU H 3.000 2.600 3.000 2.851 2.623 3.027 0.027 9 0 "[ . 1 . 2 .]" 1
538 1 46 ALA HA 1 47 GLU H 3.600 3.000 3.600 3.564 3.549 3.575 . 0 0 "[ . 1 . 2 .]" 1
539 1 47 GLU H 1 47 GLU HA 3.000 2.700 3.000 2.857 2.850 2.870 . 0 0 "[ . 1 . 2 .]" 1
540 1 46 ALA MB 1 47 GLU H 3.000 2.700 3.000 2.652 2.634 2.677 0.066 17 0 "[ . 1 . 2 .]" 1
541 1 47 GLU H 1 47 GLU HB2 2.800 2.300 2.800 2.363 2.296 2.408 0.004 10 0 "[ . 1 . 2 .]" 1
542 1 47 GLU H 1 47 GLU HB3 3.700 3.200 3.700 3.605 3.583 3.616 . 0 0 "[ . 1 . 2 .]" 1
543 1 48 LEU H 1 49 GLN H 3.000 2.700 3.000 2.653 2.619 2.736 0.081 20 0 "[ . 1 . 2 .]" 1
544 1 48 LEU H 1 48 LEU HA 3.000 2.600 3.000 2.897 2.888 2.904 . 0 0 "[ . 1 . 2 .]" 1
545 1 48 LEU H 1 48 LEU HG 3.000 2.500 3.000 2.663 2.491 2.893 0.009 23 0 "[ . 1 . 2 .]" 1
546 1 43 PRO HB2 1 48 LEU H 3.600 3.000 3.600 3.623 3.552 3.661 0.061 24 0 "[ . 1 . 2 .]" 1
547 1 45 GLU HA 1 48 LEU H 3.300 2.700 3.300 3.388 3.359 3.415 0.115 15 0 "[ . 1 . 2 .]" 1
548 1 47 GLU HB2 1 48 LEU H 3.200 2.700 3.200 2.707 2.681 2.786 0.019 8 0 "[ . 1 . 2 .]" 1
549 1 47 GLU HB3 1 48 LEU H 3.600 3.100 3.600 3.531 3.430 3.607 0.007 17 0 "[ . 1 . 2 .]" 1
550 1 48 LEU H 1 48 LEU QD 3.900 3.300 3.900 3.235 3.185 3.289 0.115 24 0 "[ . 1 . 2 .]" 1
551 1 48 LEU H 1 48 LEU HB2 2.900 . 2.900 2.302 2.235 2.365 . 0 0 "[ . 1 . 2 .]" 1
552 1 49 GLN H 1 50 ASP H 2.900 2.600 2.900 2.662 2.571 2.798 0.029 12 0 "[ . 1 . 2 .]" 1
553 1 46 ALA HA 1 49 GLN H 3.100 2.700 3.100 3.185 3.156 3.240 0.140 4 0 "[ . 1 . 2 .]" 1
554 1 45 GLU HA 1 49 GLN H 4.000 3.000 4.000 3.995 3.900 4.026 0.026 12 0 "[ . 1 . 2 .]" 1
555 1 49 GLN H 1 49 GLN HA 2.900 2.600 2.900 2.860 2.821 2.894 . 0 0 "[ . 1 . 2 .]" 1
556 1 49 GLN H 1 49 GLN QG 3.000 2.500 3.000 2.479 2.399 3.183 0.183 4 0 "[ . 1 . 2 .]" 1
557 1 48 LEU HB2 1 49 GLN H 2.800 2.300 2.800 2.574 2.424 2.724 . 0 0 "[ . 1 . 2 .]" 1
558 1 48 LEU HB3 1 49 GLN H 3.300 2.700 3.300 3.331 3.246 3.367 0.067 18 0 "[ . 1 . 2 .]" 1
559 1 49 GLN H 1 49 GLN QB 2.500 . 2.500 2.324 2.257 2.382 . 0 0 "[ . 1 . 2 .]" 1
560 1 50 ASP H 1 51 MET H 2.900 2.600 2.900 2.590 2.518 2.637 0.082 21 0 "[ . 1 . 2 .]" 1
561 1 50 ASP H 1 50 ASP HA 2.900 2.700 2.900 2.905 2.892 2.923 0.023 23 0 "[ . 1 . 2 .]" 1
562 1 50 ASP H 1 50 ASP QB 2.600 . 2.600 2.329 2.260 2.481 . 0 0 "[ . 1 . 2 .]" 1
563 1 47 GLU HA 1 50 ASP H 3.900 3.000 3.900 3.658 3.497 3.754 . 0 0 "[ . 1 . 2 .]" 1
564 1 49 GLN HA 1 50 ASP H 3.400 3.000 3.400 3.471 3.456 3.502 0.102 21 0 "[ . 1 . 2 .]" 1
565 1 49 GLN QB 1 50 ASP H 2.900 . 2.900 2.954 2.857 2.989 0.089 23 0 "[ . 1 . 2 .]" 1
566 1 50 ASP H 1 51 MET QG 4.000 3.100 4.000 4.098 4.074 4.142 0.142 21 0 "[ . 1 . 2 .]" 1
567 1 51 MET H 1 52 ILE H 2.900 2.600 2.900 2.556 2.524 2.605 0.076 21 0 "[ . 1 . 2 .]" 1
568 1 48 LEU HA 1 51 MET H 3.700 3.000 3.700 3.634 3.450 3.747 0.047 12 0 "[ . 1 . 2 .]" 1
569 1 50 ASP HA 1 51 MET H 3.550 3.150 3.550 3.560 3.548 3.577 0.027 23 0 "[ . 1 . 2 .]" 1
570 1 51 MET H 1 51 MET HA 3.000 2.700 3.000 2.884 2.855 2.897 . 0 0 "[ . 1 . 2 .]" 1
571 1 51 MET H 1 51 MET QG 3.000 2.200 3.000 2.114 2.086 2.143 0.114 18 0 "[ . 1 . 2 .]" 1
572 1 50 ASP QB 1 51 MET H 2.600 . 2.600 2.432 2.261 2.519 . 0 0 "[ . 1 . 2 .]" 1
573 1 51 MET H 1 51 MET HB2 2.900 . 2.900 2.578 2.510 2.672 . 0 0 "[ . 1 . 2 .]" 1
574 1 52 ILE H 1 53 ASN H 3.200 2.600 3.200 2.647 2.584 2.756 0.016 13 0 "[ . 1 . 2 .]" 1
575 1 51 MET HA 1 52 ILE H 3.550 3.150 3.550 3.515 3.485 3.540 . 0 0 "[ . 1 . 2 .]" 1
576 1 49 GLN HA 1 52 ILE H 3.800 3.300 3.800 3.386 3.281 3.612 0.019 7 0 "[ . 1 . 2 .]" 1
577 1 52 ILE H 1 52 ILE HA 3.100 2.800 3.100 2.865 2.841 2.889 . 0 0 "[ . 1 . 2 .]" 1
578 1 52 ILE H 1 52 ILE HB 2.900 2.100 2.900 2.362 2.294 2.441 . 0 0 "[ . 1 . 2 .]" 1
579 1 52 ILE H 1 52 ILE HG13 3.000 2.200 3.000 2.404 2.226 2.549 . 0 0 "[ . 1 . 2 .]" 1
580 1 52 ILE H 1 52 ILE HG12 3.400 3.400 12.400 3.686 3.489 3.842 . 0 0 "[ . 1 . 2 .]" 1
581 1 53 ASN H 1 54 GLU H 2.800 2.500 2.800 2.781 2.712 2.935 0.135 15 0 "[ . 1 . 2 .]" 1
582 1 53 ASN H 1 53 ASN HA 2.900 2.600 2.900 2.812 2.770 2.828 . 0 0 "[ . 1 . 2 .]" 1
583 1 50 ASP HA 1 53 ASN H 3.500 3.100 3.500 3.529 3.446 3.583 0.083 10 0 "[ . 1 . 2 .]" 1
584 1 52 ILE HA 1 53 ASN H 3.500 3.100 3.500 3.550 3.526 3.564 0.064 5 0 "[ . 1 . 2 .]" 1
585 1 53 ASN H 1 53 ASN HB3 3.100 2.100 3.100 2.942 2.034 3.201 0.101 18 0 "[ . 1 . 2 .]" 1
586 1 53 ASN H 1 53 ASN HB2 3.100 2.100 3.100 2.330 2.091 3.329 0.229 6 0 "[ . 1 . 2 .]" 1
587 1 52 ILE HB 1 53 ASN H 2.900 2.400 2.900 2.617 2.488 2.768 . 0 0 "[ . 1 . 2 .]" 1
588 1 52 ILE MG 1 53 ASN H 3.100 2.500 3.100 3.183 3.134 3.234 0.134 8 0 "[ . 1 . 2 .]" 1
589 1 54 GLU H 1 55 VAL H 2.800 2.500 2.800 2.539 2.463 2.673 0.037 13 0 "[ . 1 . 2 .]" 1
590 1 53 ASN HA 1 54 GLU H 3.400 3.000 3.400 3.516 3.480 3.552 0.152 18 0 "[ . 1 . 2 .]" 1
591 1 51 MET HA 1 54 GLU H 3.400 3.100 3.400 3.455 3.380 3.499 0.099 15 0 "[ . 1 . 2 .]" 1
592 1 54 GLU H 1 54 GLU HA 3.000 2.600 3.000 2.931 2.911 2.938 . 0 0 "[ . 1 . 2 .]" 1
593 1 53 ASN HB3 1 54 GLU H 3.600 3.100 3.600 3.002 2.926 3.133 0.174 18 0 "[ . 1 . 2 .]" 1
594 1 53 ASN HB2 1 54 GLU H 3.600 3.100 3.600 3.630 3.420 3.820 0.220 15 0 "[ . 1 . 2 .]" 1
595 1 54 GLU H 1 54 GLU QG 3.200 2.800 3.200 2.833 2.745 3.388 0.188 15 0 "[ . 1 . 2 .]" 1
596 1 54 GLU H 1 54 GLU QB 2.800 . 2.800 2.253 2.061 2.402 . 0 0 "[ . 1 . 2 .]" 1
597 1 55 VAL H 1 56 ASP H 2.600 2.200 2.600 2.518 2.365 2.637 0.037 15 0 "[ . 1 . 2 .]" 1
598 1 55 VAL H 1 55 VAL HA 2.900 2.600 2.900 2.854 2.815 2.905 0.005 6 0 "[ . 1 . 2 .]" 1
599 1 54 GLU HA 1 55 VAL H 3.400 3.100 3.400 3.536 3.491 3.557 0.157 3 0 "[ . 1 . 2 .]" 1
600 1 52 ILE HA 1 55 VAL H 3.700 3.200 3.700 3.423 3.274 3.651 . 0 0 "[ . 1 . 2 .]" 1
601 1 55 VAL H 1 55 VAL HB 2.800 2.500 2.800 2.529 2.443 2.765 0.057 21 0 "[ . 1 . 2 .]" 1
602 1 54 GLU QB 1 55 VAL H 2.800 2.300 2.800 2.491 2.295 2.926 0.126 15 0 "[ . 1 . 2 .]" 1
603 1 55 VAL H 1 55 VAL QG 2.700 . 2.700 2.085 1.863 2.333 0.037 4 0 "[ . 1 . 2 .]" 1
604 1 56 ASP H 1 57 ALA H 3.200 2.800 3.200 3.046 2.936 3.134 . 0 0 "[ . 1 . 2 .]" 1
605 1 56 ASP H 1 56 ASP HA 2.900 2.600 2.900 2.926 2.922 2.930 0.030 15 0 "[ . 1 . 2 .]" 1
606 1 55 VAL HA 1 56 ASP H 3.000 2.600 3.000 3.390 3.372 3.410 0.410 23 0 "[ . 1 . 2 .]" 1
607 1 56 ASP H 1 56 ASP HB3 2.900 2.500 2.900 2.531 2.482 2.584 0.018 9 0 "[ . 1 . 2 .]" 1
608 1 56 ASP H 1 56 ASP HB2 3.300 2.800 3.300 2.758 2.722 2.778 0.078 19 0 "[ . 1 . 2 .]" 1
609 1 55 VAL HB 1 56 ASP H 3.000 2.700 3.000 2.836 2.737 2.907 . 0 0 "[ . 1 . 2 .]" 1
610 1 55 VAL QG 1 56 ASP H 3.100 2.400 3.100 3.294 3.250 3.333 0.233 3 0 "[ . 1 . 2 .]" 1
611 1 57 ALA H 1 58 ASP H 2.800 2.400 2.800 2.362 2.338 2.391 0.062 5 0 "[ . 1 . 2 .]" 1
612 1 56 ASP HA 1 57 ALA H 2.700 . 2.700 2.796 2.742 2.856 0.156 7 0 "[ . 1 . 2 .]" 1
613 1 57 ALA H 1 57 ALA HA 3.000 2.600 3.000 2.904 2.898 2.908 . 0 0 "[ . 1 . 2 .]" 1
614 1 55 VAL HA 1 57 ALA H 3.800 3.400 3.800 3.285 3.244 3.335 0.156 7 0 "[ . 1 . 2 .]" 1
615 1 57 ALA H 1 57 ALA MB 2.700 . 2.700 2.152 2.125 2.189 . 0 0 "[ . 1 . 2 .]" 1
616 1 58 ASP H 1 59 GLY H 2.800 2.400 2.800 2.354 2.325 2.376 0.075 8 0 "[ . 1 . 2 .]" 1
617 1 56 ASP HA 1 58 ASP H 3.500 3.100 3.500 3.282 3.120 3.505 0.005 12 0 "[ . 1 . 2 .]" 1
618 1 58 ASP H 1 58 ASP HA 2.800 2.600 2.800 2.902 2.868 2.907 0.107 18 0 "[ . 1 . 2 .]" 1
619 1 57 ALA HA 1 58 ASP H 3.300 3.100 3.300 3.429 3.396 3.465 0.165 12 0 "[ . 1 . 2 .]" 1
620 1 58 ASP H 1 58 ASP HB2 2.900 2.500 2.900 2.566 2.481 3.380 0.480 8 0 "[ . 1 . 2 .]" 1
621 1 58 ASP H 1 58 ASP HB3 2.900 2.500 2.900 2.728 2.550 2.997 0.097 8 0 "[ . 1 . 2 .]" 1
622 1 57 ALA MB 1 58 ASP H 3.000 2.500 3.000 2.871 2.687 3.004 0.004 15 0 "[ . 1 . 2 .]" 1
623 1 59 GLY H 1 60 ASN H 2.900 2.500 2.900 2.517 2.438 2.607 0.062 3 0 "[ . 1 . 2 .]" 1
624 1 56 ASP HA 1 59 GLY H 4.000 3.000 4.000 3.344 3.073 3.565 . 0 0 "[ . 1 . 2 .]" 1
625 1 58 ASP HA 1 59 GLY H 3.200 2.800 3.200 3.399 3.393 3.403 0.203 21 0 "[ . 1 . 2 .]" 1
626 1 57 ALA HA 1 59 GLY H 3.700 3.200 3.700 3.799 3.746 3.856 0.156 17 0 "[ . 1 . 2 .]" 1
627 1 59 GLY H 1 59 GLY QA 2.600 . 2.600 2.267 2.249 2.293 . 0 0 "[ . 1 . 2 .]" 1
628 1 58 ASP HB3 1 59 GLY H 3.300 3.300 12.300 3.221 3.166 4.300 0.134 16 0 "[ . 1 . 2 .]" 1
629 1 58 ASP HB2 1 59 GLY H 3.300 3.300 12.300 4.019 3.694 4.161 . 0 0 "[ . 1 . 2 .]" 1
630 1 60 ASN H 1 61 GLY H 2.900 2.400 2.900 2.529 2.281 2.999 0.119 24 0 "[ . 1 . 2 .]" 1
631 1 60 ASN H 1 60 ASN HA 3.000 2.600 3.000 2.989 2.974 3.011 0.011 16 0 "[ . 1 . 2 .]" 1
632 1 59 GLY QA 1 60 ASN H 3.300 2.800 3.300 2.846 2.727 2.941 0.073 7 0 "[ . 1 . 2 .]" 1
633 1 60 ASN H 1 60 ASN QB 3.000 2.600 3.000 2.588 2.458 2.831 0.142 15 0 "[ . 1 . 2 .]" 1
634 1 61 GLY H 1 62 THR H 2.900 2.400 2.900 2.638 2.230 2.923 0.170 9 0 "[ . 1 . 2 .]" 1
635 1 60 ASN HA 1 61 GLY H 3.200 2.700 3.200 3.336 3.167 3.525 0.325 3 0 "[ . 1 . 2 .]" 1
636 1 62 THR H 1 63 ILE H 3.400 3.400 12.400 4.457 4.442 4.487 . 0 0 "[ . 1 . 2 .]" 1
637 1 62 THR H 1 62 THR HA 3.100 2.800 3.100 2.985 2.977 3.003 . 0 0 "[ . 1 . 2 .]" 1
638 1 62 THR H 1 62 THR HG1 3.100 2.600 3.100 2.862 2.597 3.100 0.003 10 0 "[ . 1 . 2 .]" 1
639 1 61 GLY HA3 1 62 THR H 3.600 3.000 3.600 3.562 3.452 3.644 0.044 14 0 "[ . 1 . 2 .]" 1
640 1 61 GLY HA2 1 62 THR H 3.600 3.000 3.600 2.921 2.795 3.093 0.205 22 0 "[ . 1 . 2 .]" 1
641 1 62 THR H 1 62 THR HB 3.800 3.300 3.800 3.835 3.783 3.897 0.097 2 0 "[ . 1 . 2 .]" 1
642 1 60 ASN QB 1 62 THR H 3.500 3.000 3.500 3.143 2.881 3.437 0.119 19 0 "[ . 1 . 2 .]" 1
643 1 29 THR MG 1 62 THR H 3.500 2.900 3.500 3.495 3.305 3.573 0.073 13 0 "[ . 1 . 2 .]" 1
644 1 62 THR H 1 62 THR MG 3.000 . 3.000 3.011 2.693 3.130 0.130 16 0 "[ . 1 . 2 .]" 1
645 1 27 ILE H 1 63 ILE H 3.200 2.700 3.200 2.821 2.736 2.896 . 0 0 "[ . 1 . 2 .]" 1
646 1 63 ILE H 1 64 ASP H 3.400 3.400 12.400 4.322 4.300 4.341 . 0 0 "[ . 1 . 2 .]" 1
647 1 62 THR HA 1 63 ILE H 2.700 . 2.700 2.482 2.415 2.540 . 0 0 "[ . 1 . 2 .]" 1
648 1 63 ILE H 1 63 ILE HA 3.100 2.900 3.100 2.986 2.981 2.990 . 0 0 "[ . 1 . 2 .]" 1
649 1 62 THR HB 1 63 ILE H 2.900 . 2.900 2.452 2.258 2.678 . 0 0 "[ . 1 . 2 .]" 1
650 1 26 THR HB 1 63 ILE H 3.500 . 3.500 3.528 3.441 3.572 0.072 5 0 "[ . 1 . 2 .]" 1
651 1 63 ILE H 1 63 ILE HB 2.900 . 2.900 2.968 2.947 2.994 0.094 21 0 "[ . 1 . 2 .]" 1
652 1 63 ILE H 1 63 ILE HG13 3.500 . 3.500 2.606 2.573 2.635 . 0 0 "[ . 1 . 2 .]" 1
653 1 64 ASP H 1 65 PHE H 3.300 3.300 12.300 4.596 4.584 4.611 . 0 0 "[ . 1 . 2 .]" 1
654 1 64 ASP H 1 64 ASP HA 3.200 2.900 3.200 2.986 2.983 2.992 . 0 0 "[ . 1 . 2 .]" 1
655 1 63 ILE HA 1 64 ASP H 2.500 . 2.500 2.218 2.194 2.238 . 0 0 "[ . 1 . 2 .]" 1
656 1 64 ASP H 1 64 ASP HB3 3.200 2.900 3.200 2.852 2.830 2.879 0.070 8 0 "[ . 1 . 2 .]" 1
657 1 64 ASP H 1 67 GLU HB2 2.900 2.700 2.900 2.732 2.675 2.880 0.025 24 0 "[ . 1 . 2 .]" 1
658 1 63 ILE HB 1 64 ASP H 3.700 3.200 3.700 3.885 3.863 3.910 0.210 25 0 "[ . 1 . 2 .]" 1
659 1 63 ILE MG 1 64 ASP H 3.200 2.800 3.200 2.594 2.574 2.615 0.226 22 0 "[ . 1 . 2 .]" 1
660 1 64 ASP H 1 64 ASP HB2 3.300 3.300 12.300 3.725 3.708 3.740 . 0 0 "[ . 1 . 2 .]" 1
661 1 64 ASP H 1 67 GLU HB3 3.300 3.300 12.300 4.246 4.170 4.423 . 0 0 "[ . 1 . 2 .]" 1
662 1 16 PHE HZ 1 65 PHE H 3.500 3.000 3.500 3.390 3.262 3.490 . 0 0 "[ . 1 . 2 .]" 1
663 1 64 ASP HA 1 65 PHE H 2.900 2.500 2.900 2.492 2.467 2.520 0.033 8 0 "[ . 1 . 2 .]" 1
664 1 65 PHE H 1 66 PRO QD 3.100 2.100 3.100 2.276 2.257 2.298 . 0 0 "[ . 1 . 2 .]" 1
665 1 65 PHE H 1 65 PHE HA 2.800 2.800 11.800 2.835 2.827 2.849 . 0 0 "[ . 1 . 2 .]" 1
666 1 64 ASP HB2 1 65 PHE H 2.900 2.600 2.900 2.589 2.564 2.636 0.036 9 0 "[ . 1 . 2 .]" 1
667 1 65 PHE H 1 65 PHE HB3 3.300 2.800 3.300 2.733 2.709 2.755 0.091 13 0 "[ . 1 . 2 .]" 1
668 1 65 PHE H 1 65 PHE HB2 3.000 2.500 3.000 2.487 2.462 2.514 0.038 24 0 "[ . 1 . 2 .]" 1
669 1 67 GLU H 1 68 PHE H 2.900 2.600 2.900 2.642 2.600 2.695 0.000 19 0 "[ . 1 . 2 .]" 1
670 1 67 GLU H 1 67 GLU HA 2.800 2.500 2.800 2.860 2.845 2.870 0.070 19 0 "[ . 1 . 2 .]" 1
671 1 66 PRO QD 1 67 GLU H 3.100 2.700 3.100 2.946 2.810 3.050 . 0 0 "[ . 1 . 2 .]" 1
672 1 66 PRO HA 1 67 GLU H 3.600 3.200 3.600 3.595 3.583 3.604 0.004 25 0 "[ . 1 . 2 .]" 1
673 1 66 PRO QG 1 67 GLU H 3.100 . 3.100 3.110 3.082 3.128 0.028 24 0 "[ . 1 . 2 .]" 1
674 1 67 GLU H 1 67 GLU HB2 2.900 . 2.900 2.498 2.394 2.565 . 0 0 "[ . 1 . 2 .]" 1
675 1 67 GLU H 1 67 GLU HB3 3.200 3.200 12.200 3.624 3.610 3.633 . 0 0 "[ . 1 . 2 .]" 1
676 1 68 PHE H 1 68 PHE HA 2.800 2.500 2.800 2.862 2.851 2.872 0.072 24 0 "[ . 1 . 2 .]" 1
677 1 65 PHE HA 1 68 PHE H 3.500 3.100 3.500 3.124 3.085 3.164 0.015 24 0 "[ . 1 . 2 .]" 1
678 1 68 PHE H 1 68 PHE HB3 3.100 2.600 3.100 2.690 2.629 2.744 . 0 0 "[ . 1 . 2 .]" 1
679 1 68 PHE H 1 68 PHE HB2 3.100 2.600 3.100 2.527 2.495 2.557 0.105 24 0 "[ . 1 . 2 .]" 1
680 1 67 GLU HB2 1 68 PHE H 3.300 2.900 3.300 2.850 2.828 2.875 0.072 16 0 "[ . 1 . 2 .]" 1
681 1 67 GLU HB3 1 68 PHE H 3.800 3.300 3.800 3.824 3.698 3.873 0.073 16 0 "[ . 1 . 2 .]" 1
682 1 63 ILE MG 1 68 PHE H 3.300 2.900 3.300 3.279 3.110 3.340 0.040 1 0 "[ . 1 . 2 .]" 1
683 1 69 LEU H 1 70 THR H 2.900 2.600 2.900 2.554 2.541 2.569 0.059 21 0 "[ . 1 . 2 .]" 1
684 1 68 PHE HA 1 69 LEU H 3.600 3.200 3.600 3.537 3.520 3.551 . 0 0 "[ . 1 . 2 .]" 1
685 1 66 PRO HA 1 69 LEU H 3.500 3.100 3.500 3.492 3.347 3.550 0.050 19 0 "[ . 1 . 2 .]" 1
686 1 65 PHE HA 1 69 LEU H 4.000 3.500 4.000 4.085 4.024 4.129 0.129 20 0 "[ . 1 . 2 .]" 1
687 1 69 LEU H 1 69 LEU HA 3.000 2.700 3.000 2.893 2.883 2.906 . 0 0 "[ . 1 . 2 .]" 1
688 1 68 PHE HB3 1 69 LEU H 3.300 2.800 3.300 2.738 2.714 2.759 0.086 9 0 "[ . 1 . 2 .]" 1
689 1 69 LEU H 1 69 LEU HB2 2.900 . 2.900 2.459 2.362 2.524 . 0 0 "[ . 1 . 2 .]" 1
690 1 69 LEU H 1 69 LEU HB3 3.700 3.200 3.700 3.630 3.603 3.647 . 0 0 "[ . 1 . 2 .]" 1
691 1 69 LEU H 1 69 LEU HG 2.900 . 2.900 2.343 2.240 2.502 . 0 0 "[ . 1 . 2 .]" 1
692 1 70 THR H 1 70 THR HG1 3.200 2.700 3.200 2.946 2.689 3.192 0.011 13 0 "[ . 1 . 2 .]" 1
693 1 70 THR H 1 70 THR HB 2.900 2.500 2.900 2.451 2.418 2.492 0.082 25 0 "[ . 1 . 2 .]" 1
694 1 67 GLU HA 1 70 THR H 3.400 3.000 3.400 3.100 2.991 3.170 0.009 19 0 "[ . 1 . 2 .]" 1
695 1 70 THR H 1 70 THR HA 2.900 2.500 2.900 2.902 2.890 2.917 0.017 1 0 "[ . 1 . 2 .]" 1
696 1 69 LEU HA 1 70 THR H 3.700 3.300 3.700 3.494 3.476 3.511 . 0 0 "[ . 1 . 2 .]" 1
697 1 69 LEU HB2 1 70 THR H 3.400 3.000 3.400 2.964 2.940 2.993 0.060 24 0 "[ . 1 . 2 .]" 1
698 1 71 MET H 1 72 MET H 2.900 2.600 2.900 2.548 2.511 2.634 0.089 12 0 "[ . 1 . 2 .]" 1
699 1 70 THR HB 1 71 MET H 3.200 2.900 3.200 2.915 2.782 3.079 0.118 19 0 "[ . 1 . 2 .]" 1
700 1 68 PHE HA 1 71 MET H 3.600 3.200 3.600 3.356 3.228 3.556 . 0 0 "[ . 1 . 2 .]" 1
701 1 71 MET H 1 71 MET HA 3.100 2.800 3.100 2.915 2.883 2.933 . 0 0 "[ . 1 . 2 .]" 1
702 1 70 THR HA 1 71 MET H 3.600 3.300 3.600 3.507 3.450 3.572 . 0 0 "[ . 1 . 2 .]" 1
703 1 71 MET H 1 71 MET HG3 3.600 3.000 3.600 3.137 2.869 3.669 0.131 24 0 "[ . 1 . 2 .]" 1
704 1 71 MET H 1 71 MET HG2 3.600 3.000 3.600 2.999 2.776 3.555 0.224 12 0 "[ . 1 . 2 .]" 1
705 1 71 MET H 1 71 MET QB 3.100 2.500 3.100 2.430 2.379 2.486 0.121 3 0 "[ . 1 . 2 .]" 1
706 1 72 MET H 1 73 ALA H 2.900 2.600 2.900 2.611 2.559 2.676 0.041 18 0 "[ . 1 . 2 .]" 1
707 1 72 MET H 1 72 MET HA 2.900 2.600 2.900 2.881 2.862 2.904 0.004 18 0 "[ . 1 . 2 .]" 1
708 1 68 PHE HA 1 72 MET H 4.500 3.500 4.500 4.441 4.271 4.540 0.040 24 0 "[ . 1 . 2 .]" 1
709 1 69 LEU HA 1 72 MET H 3.500 3.100 3.500 3.416 3.219 3.520 0.020 20 0 "[ . 1 . 2 .]" 1
710 1 72 MET H 1 72 MET HB2 2.900 . 2.900 2.501 2.229 2.668 . 0 0 "[ . 1 . 2 .]" 1
711 1 72 MET H 1 72 MET HB3 3.200 3.200 12.200 3.613 3.548 3.634 . 0 0 "[ . 1 . 2 .]" 1
712 1 72 MET H 1 72 MET QG 3.000 . 3.000 2.205 1.940 2.789 0.060 4 0 "[ . 1 . 2 .]" 1
713 1 71 MET HA 1 72 MET H 3.600 3.200 3.600 3.551 3.500 3.580 . 0 0 "[ . 1 . 2 .]" 1
714 1 73 ALA H 1 74 ARG H 2.900 2.600 2.900 2.603 2.571 2.653 0.029 2 0 "[ . 1 . 2 .]" 1
715 1 73 ALA H 1 73 ALA HA 2.800 2.500 2.800 2.871 2.859 2.891 0.091 17 0 "[ . 1 . 2 .]" 1
716 1 70 THR HA 1 73 ALA H 3.400 3.100 3.400 3.443 3.308 3.491 0.091 14 0 "[ . 1 . 2 .]" 1
717 1 73 ALA H 1 73 ALA MB 2.700 . 2.700 2.208 2.172 2.251 . 0 0 "[ . 1 . 2 .]" 1
718 1 74 ARG H 1 75 LYS H 2.900 2.600 2.900 2.558 2.498 2.597 0.102 17 0 "[ . 1 . 2 .]" 1
719 1 74 ARG H 1 74 ARG HA 2.800 . 2.800 2.867 2.855 2.878 0.078 17 0 "[ . 1 . 2 .]" 1
720 1 71 MET HA 1 74 ARG H 3.500 3.200 3.500 3.459 3.334 3.606 0.106 25 0 "[ . 1 . 2 .]" 1
721 1 74 ARG H 1 74 ARG QB 2.800 . 2.800 2.207 2.146 2.354 . 0 0 "[ . 1 . 2 .]" 1
722 1 74 ARG H 1 74 ARG HG3 3.500 3.000 3.500 3.478 2.904 3.672 0.172 7 0 "[ . 1 . 2 .]" 1
723 1 74 ARG H 1 74 ARG HG2 3.500 3.000 3.500 3.000 2.870 3.589 0.130 5 0 "[ . 1 . 2 .]" 1
724 1 73 ALA MB 1 74 ARG H 3.200 2.800 3.200 2.754 2.681 2.807 0.119 24 0 "[ . 1 . 2 .]" 1
725 1 75 LYS H 1 75 LYS HA 2.900 2.700 2.900 2.910 2.884 2.927 0.027 11 0 "[ . 1 . 2 .]" 1
726 1 72 MET HA 1 75 LYS H 3.400 2.900 3.400 3.400 3.324 3.490 0.090 24 0 "[ . 1 . 2 .]" 1
727 1 74 ARG HA 1 75 LYS H 3.400 2.800 3.400 3.493 3.450 3.527 0.127 21 0 "[ . 1 . 2 .]" 1
728 1 74 ARG QB 1 75 LYS H 3.300 . 3.300 2.860 2.580 3.519 0.219 25 0 "[ . 1 . 2 .]" 1
729 1 75 LYS H 1 75 LYS HB2 2.800 . 2.800 2.310 2.207 2.461 . 0 0 "[ . 1 . 2 .]" 1
730 1 75 LYS H 1 75 LYS QG 3.100 . 3.100 2.637 2.268 2.940 . 0 0 "[ . 1 . 2 .]" 1
731 1 76 MET H 1 76 MET HA 2.900 2.600 2.900 2.827 2.580 3.015 0.115 10 0 "[ . 1 . 2 .]" 1
732 1 75 LYS HA 1 76 MET H 3.300 2.800 3.300 3.512 3.379 3.600 0.300 11 0 "[ . 1 . 2 .]" 1
733 1 73 ALA HA 1 76 MET H 3.350 3.000 3.350 3.435 3.143 3.696 0.346 2 0 "[ . 1 . 2 .]" 1
734 1 76 MET H 1 76 MET QG 2.900 . 2.900 2.121 1.843 3.139 0.239 2 0 "[ . 1 . 2 .]" 1
735 1 76 MET H 1 76 MET HB2 2.800 . 2.800 2.739 2.360 3.007 0.207 11 0 "[ . 1 . 2 .]" 1
736 1 76 MET H 1 76 MET HB3 3.300 3.300 12.300 3.654 3.586 3.779 . 0 0 "[ . 1 . 2 .]" 1
737 1 75 LYS HB3 1 76 MET H 3.200 . 3.200 3.182 2.819 3.507 0.307 9 0 "[ . 1 . 2 .]" 1
738 1 75 LYS HB2 1 76 MET H 3.500 . 3.500 2.390 1.975 2.847 0.025 8 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 204
_Distance_constraint_stats_list.Viol_count 562
_Distance_constraint_stats_list.Viol_total 740.848
_Distance_constraint_stats_list.Viol_max 0.493
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0527
_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 3 GLN 0.984 0.493 22 0 "[ . 1 . 2 .]"
1 4 LEU 2.320 0.190 12 0 "[ . 1 . 2 .]"
1 5 THR 0.452 0.040 9 0 "[ . 1 . 2 .]"
1 6 GLU 1.594 0.267 5 0 "[ . 1 . 2 .]"
1 7 GLU 0.832 0.068 5 0 "[ . 1 . 2 .]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 ILE 0.077 0.031 17 0 "[ . 1 . 2 .]"
1 10 ALA 0.832 0.068 5 0 "[ . 1 . 2 .]"
1 12 PHE 1.377 0.089 14 0 "[ . 1 . 2 .]"
1 13 LYS 0.314 0.041 22 0 "[ . 1 . 2 .]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 ALA 0.646 0.087 22 0 "[ . 1 . 2 .]"
1 16 PHE 0.011 0.007 20 0 "[ . 1 . 2 .]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 LEU 0.646 0.087 22 0 "[ . 1 . 2 .]"
1 19 PHE 1.431 0.075 22 0 "[ . 1 . 2 .]"
1 20 ASP 0.048 0.019 5 0 "[ . 1 . 2 .]"
1 21 LYS 0.913 0.069 19 0 "[ . 1 . 2 .]"
1 25 GLY 0.622 0.045 16 0 "[ . 1 . 2 .]"
1 26 THR 0.622 0.045 16 0 "[ . 1 . 2 .]"
1 27 ILE 1.456 0.075 22 0 "[ . 1 . 2 .]"
1 28 THR 6.097 0.181 1 0 "[ . 1 . 2 .]"
1 29 THR 0.041 0.035 7 0 "[ . 1 . 2 .]"
1 30 LYS 0.052 0.016 12 0 "[ . 1 . 2 .]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 GLY 0.521 0.056 20 0 "[ . 1 . 2 .]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 ARG 0.310 0.046 1 0 "[ . 1 . 2 .]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 PRO 1.361 0.056 20 0 "[ . 1 . 2 .]"
1 44 THR 1.735 0.098 2 0 "[ . 1 . 2 .]"
1 45 GLU 1.735 0.098 2 0 "[ . 1 . 2 .]"
1 46 ALA 0.635 0.067 21 0 "[ . 1 . 2 .]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 GLN 4.185 0.211 19 0 "[ . 1 . 2 .]"
1 50 ASP 0.899 0.072 18 0 "[ . 1 . 2 .]"
1 51 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 ILE 3.564 0.211 19 0 "[ . 1 . 2 .]"
1 53 ASN 0.899 0.072 18 0 "[ . 1 . 2 .]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 THR 4.158 0.181 1 0 "[ . 1 . 2 .]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 GLU 1.274 0.092 6 0 "[ . 1 . 2 .]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 LEU 2.274 0.089 14 0 "[ . 1 . 2 .]"
1 70 THR 1.274 0.092 6 0 "[ . 1 . 2 .]"
1 71 MET 1.012 0.133 18 0 "[ . 1 . 2 .]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 ALA 0.511 0.050 3 0 "[ . 1 . 2 .]"
1 74 ARG 0.831 0.123 25 0 "[ . 1 . 2 .]"
1 75 LYS 0.151 0.128 10 0 "[ . 1 . 2 .]"
1 76 MET 1.360 0.262 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 3 GLN HA 1 3 GLN QG 2.200 . 2.760 2.450 2.323 3.253 0.493 22 0 "[ . 1 . 2 .]" 2
2 1 4 LEU HA 1 4 LEU HG 3.000 . 3.750 2.848 2.672 3.073 . 0 0 "[ . 1 . 2 .]" 2
3 1 4 LEU HB3 1 8 GLN HB2 3.700 2.200 4.620 3.210 2.855 3.600 . 0 0 "[ . 1 . 2 .]" 2
4 1 4 LEU HB3 1 9 ILE HG13 3.300 . 4.120 2.361 2.322 2.518 . 0 0 "[ . 1 . 2 .]" 2
5 1 4 LEU HG 1 73 ALA HA 4.000 2.400 5.000 4.559 4.051 5.006 0.006 4 0 "[ . 1 . 2 .]" 2
6 1 6 GLU HA 1 6 GLU QG 2.400 . 3.010 2.620 2.257 3.277 0.267 5 0 "[ . 1 . 2 .]" 2
7 1 6 GLU HA 1 9 ILE HB 2.300 . 2.860 2.771 2.601 2.879 0.019 2 0 "[ . 1 . 2 .]" 2
8 1 8 GLN HA 1 8 GLN QG 2.200 . 2.760 2.315 2.256 2.406 . 0 0 "[ . 1 . 2 .]" 2
9 1 9 ILE HA 1 12 PHE HB2 3.500 2.100 4.360 3.368 2.997 3.602 . 0 0 "[ . 1 . 2 .]" 2
10 1 9 ILE HA 1 9 ILE HG12 2.800 . 3.490 2.532 2.510 2.563 . 0 0 "[ . 1 . 2 .]" 2
11 1 10 ALA HA 1 13 LYS HB3 2.400 . 3.010 2.402 2.325 2.621 . 0 0 "[ . 1 . 2 .]" 2
12 1 10 ALA HA 1 13 LYS QD 3.700 2.200 4.630 3.562 3.221 4.083 . 0 0 "[ . 1 . 2 .]" 2
13 1 12 PHE HA 1 12 PHE HB3 2.900 . 3.630 2.410 2.377 2.483 . 0 0 "[ . 1 . 2 .]" 2
14 1 12 PHE HA 1 12 PHE HB2 2.900 . 3.630 3.024 3.017 3.032 . 0 0 "[ . 1 . 2 .]" 2
15 1 13 LYS HA 1 13 LYS QD 3.200 . 4.010 3.999 3.919 4.051 0.041 22 0 "[ . 1 . 2 .]" 2
16 1 13 LYS HA 1 13 LYS QG 2.600 . 3.260 2.358 2.296 2.446 . 0 0 "[ . 1 . 2 .]" 2
17 1 13 LYS HA 1 16 PHE HB3 3.000 . 3.760 2.651 2.535 2.824 . 0 0 "[ . 1 . 2 .]" 2
18 1 13 LYS QE 1 13 LYS QG 2.400 . 3.000 2.288 2.197 2.473 . 0 0 "[ . 1 . 2 .]" 2
19 1 13 LYS QG 1 14 GLU HA 3.500 2.100 4.390 3.629 3.481 3.727 . 0 0 "[ . 1 . 2 .]" 2
20 1 14 GLU QB 1 15 ALA HA 3.600 2.100 4.510 3.816 3.769 3.860 . 0 0 "[ . 1 . 2 .]" 2
21 1 15 ALA HA 1 18 LEU HB2 3.100 . 3.880 2.815 2.377 3.060 . 0 0 "[ . 1 . 2 .]" 2
22 1 15 ALA HA 1 18 LEU HG 2.800 . 3.500 3.443 2.991 3.587 0.087 22 0 "[ . 1 . 2 .]" 2
23 1 17 SER HA 1 20 ASP HB3 2.500 . 3.140 2.404 2.331 2.686 . 0 0 "[ . 1 . 2 .]" 2
24 1 18 LEU HA 1 18 LEU HG 2.800 . 3.510 2.686 2.403 2.788 . 0 0 "[ . 1 . 2 .]" 2
25 1 19 PHE HA 1 21 LYS QD 4.000 2.400 5.000 4.606 4.442 4.721 . 0 0 "[ . 1 . 2 .]" 2
26 1 19 PHE HA 1 21 LYS QE 3.300 . 4.130 3.535 3.128 4.151 0.021 20 0 "[ . 1 . 2 .]" 2
27 1 19 PHE HA 1 21 LYS QG 3.800 2.300 4.750 3.212 3.079 3.307 . 0 0 "[ . 1 . 2 .]" 2
28 1 20 ASP HA 1 27 ILE HA 3.700 2.200 4.610 3.592 3.352 3.888 . 0 0 "[ . 1 . 2 .]" 2
29 1 21 LYS HA 1 21 LYS QD 2.400 . 2.990 2.260 2.220 2.279 . 0 0 "[ . 1 . 2 .]" 2
30 1 21 LYS HA 1 21 LYS QG 2.200 . 2.740 2.775 2.754 2.809 0.069 19 0 "[ . 1 . 2 .]" 2
31 1 26 THR HA 1 64 ASP HA 2.400 . 2.990 2.334 2.307 2.399 . 0 0 "[ . 1 . 2 .]" 2
32 1 26 THR HA 1 64 ASP HB2 3.600 2.200 4.500 4.309 4.226 4.346 . 0 0 "[ . 1 . 2 .]" 2
33 1 26 THR HB 1 64 ASP HA 3.200 . 4.000 3.178 3.050 3.278 . 0 0 "[ . 1 . 2 .]" 2
34 1 27 ILE HA 1 27 ILE HG13 3.700 2.200 4.620 3.724 3.715 3.740 . 0 0 "[ . 1 . 2 .]" 2
35 1 27 ILE HG13 1 63 ILE HB 3.200 . 4.000 2.712 2.598 2.835 . 0 0 "[ . 1 . 2 .]" 2
36 1 28 THR HA 1 62 THR HA 2.100 . 2.600 2.298 2.280 2.318 . 0 0 "[ . 1 . 2 .]" 2
37 1 28 THR HA 1 62 THR HB 3.100 . 3.880 3.778 3.660 3.908 0.028 14 0 "[ . 1 . 2 .]" 2
38 1 28 THR HB 1 30 LYS QB 3.100 . 3.870 3.830 3.751 3.886 0.016 12 0 "[ . 1 . 2 .]" 2
39 1 28 THR HB 1 30 LYS QG 3.400 2.100 4.240 3.954 3.712 4.220 . 0 0 "[ . 1 . 2 .]" 2
40 1 28 THR HB 1 62 THR HA 3.200 . 4.000 4.162 4.139 4.181 0.181 1 0 "[ . 1 . 2 .]" 2
41 1 29 THR HA 1 32 LEU HB2 3.100 . 3.880 2.556 2.369 2.722 . 0 0 "[ . 1 . 2 .]" 2
42 1 29 THR HA 1 63 ILE HG13 3.100 . 3.880 3.273 3.141 3.451 . 0 0 "[ . 1 . 2 .]" 2
43 1 29 THR HB 1 52 ILE HG12 3.100 . 3.880 3.111 2.700 3.537 . 0 0 "[ . 1 . 2 .]" 2
44 1 30 LYS QB 1 31 GLU HA 3.300 . 4.130 4.087 4.058 4.110 . 0 0 "[ . 1 . 2 .]" 2
45 1 31 GLU HA 1 31 GLU QG 2.100 . 2.630 2.497 2.474 2.535 . 0 0 "[ . 1 . 2 .]" 2
46 1 31 GLU HA 1 34 THR HB 2.600 . 3.250 3.018 2.905 3.204 . 0 0 "[ . 1 . 2 .]" 2
47 1 31 GLU HB3 1 34 THR HB 3.900 2.400 4.870 3.056 2.898 3.185 . 0 0 "[ . 1 . 2 .]" 2
48 1 32 LEU HA 1 32 LEU HG 3.300 . 4.110 3.256 3.202 3.307 . 0 0 "[ . 1 . 2 .]" 2
49 1 33 GLY HA3 1 43 PRO QG 3.700 2.200 4.620 4.634 4.512 4.676 0.056 20 0 "[ . 1 . 2 .]" 2
50 1 35 VAL HA 1 38 SER QB 3.100 . 3.880 2.908 2.534 3.302 . 0 0 "[ . 1 . 2 .]" 2
51 1 36 MET HA 1 36 MET QG 2.700 . 3.360 2.366 2.229 2.462 . 0 0 "[ . 1 . 2 .]" 2
52 1 36 MET HA 1 39 LEU QB 3.800 2.300 4.750 3.355 3.204 3.527 . 0 0 "[ . 1 . 2 .]" 2
53 1 37 ARG QD 1 43 PRO HD2 3.500 2.100 4.380 4.272 3.902 4.426 0.046 1 0 "[ . 1 . 2 .]" 2
54 1 37 ARG QG 1 42 ASN HA 3.000 . 3.760 3.206 2.876 3.556 . 0 0 "[ . 1 . 2 .]" 2
55 1 37 ARG QG 1 43 PRO HD2 3.300 . 4.120 3.471 3.143 3.835 . 0 0 "[ . 1 . 2 .]" 2
56 1 39 LEU HA 1 39 LEU HG 3.100 . 3.870 3.151 2.954 3.302 . 0 0 "[ . 1 . 2 .]" 2
57 1 41 GLN HA 1 41 GLN QG 2.800 . 3.500 2.575 2.280 2.985 . 0 0 "[ . 1 . 2 .]" 2
58 1 41 GLN HB3 1 43 PRO HD3 3.600 2.200 4.500 2.652 2.515 2.837 . 0 0 "[ . 1 . 2 .]" 2
59 1 42 ASN HA 1 43 PRO HD2 2.100 . 2.620 2.305 2.287 2.341 . 0 0 "[ . 1 . 2 .]" 2
60 1 42 ASN HA 1 43 PRO QG 3.600 2.100 4.510 4.122 4.108 4.141 . 0 0 "[ . 1 . 2 .]" 2
61 1 42 ASN QB 1 43 PRO HD2 4.000 2.400 5.000 4.360 4.336 4.399 . 0 0 "[ . 1 . 2 .]" 2
62 1 43 PRO HA 1 43 PRO HD3 3.600 2.100 4.510 3.794 3.770 3.838 . 0 0 "[ . 1 . 2 .]" 2
63 1 43 PRO HA 1 43 PRO QG 2.800 . 3.490 3.511 3.485 3.537 0.047 23 0 "[ . 1 . 2 .]" 2
64 1 43 PRO HA 1 47 GLU HB2 3.700 2.200 4.630 3.787 3.625 3.898 . 0 0 "[ . 1 . 2 .]" 2
65 1 43 PRO HB2 1 47 GLU HB2 3.500 2.100 4.380 2.564 2.407 2.743 . 0 0 "[ . 1 . 2 .]" 2
66 1 43 PRO HB2 1 48 LEU HG 3.000 . 3.750 2.418 2.332 2.620 . 0 0 "[ . 1 . 2 .]" 2
67 1 44 THR HA 1 45 GLU QG 3.600 2.200 4.500 4.033 3.806 4.502 0.002 2 0 "[ . 1 . 2 .]" 2
68 1 44 THR HB 1 45 GLU QB 3.100 . 3.870 3.939 3.903 3.968 0.098 2 0 "[ . 1 . 2 .]" 2
69 1 45 GLU HA 1 48 LEU HB2 2.600 . 3.260 2.644 2.481 2.850 . 0 0 "[ . 1 . 2 .]" 2
70 1 46 ALA HA 1 49 GLN QB 2.100 . 2.640 2.386 2.313 2.509 . 0 0 "[ . 1 . 2 .]" 2
71 1 46 ALA HA 1 49 GLN QG 2.800 . 3.500 3.521 3.445 3.567 0.067 21 0 "[ . 1 . 2 .]" 2
72 1 47 GLU HA 1 50 ASP QB 2.400 . 3.000 2.845 2.618 2.974 . 0 0 "[ . 1 . 2 .]" 2
73 1 48 LEU HA 1 51 MET HB2 2.900 . 3.620 3.441 2.921 3.575 . 0 0 "[ . 1 . 2 .]" 2
74 1 49 GLN HA 1 49 GLN QG 2.100 . 2.620 2.440 2.234 2.639 0.019 14 0 "[ . 1 . 2 .]" 2
75 1 49 GLN HA 1 52 ILE HB 2.400 . 3.010 2.320 2.295 2.363 . 0 0 "[ . 1 . 2 .]" 2
76 1 49 GLN HA 1 52 ILE HG12 3.500 2.100 4.390 4.531 4.472 4.601 0.211 19 0 "[ . 1 . 2 .]" 2
77 1 50 ASP HA 1 53 ASN QB 2.300 . 2.880 2.905 2.713 2.952 0.072 18 0 "[ . 1 . 2 .]" 2
78 1 51 MET HA 1 51 MET QG 2.600 . 3.260 2.391 2.352 2.533 . 0 0 "[ . 1 . 2 .]" 2
79 1 52 ILE HA 1 52 ILE HG13 3.000 . 3.740 2.798 2.684 2.903 . 0 0 "[ . 1 . 2 .]" 2
80 1 52 ILE HA 1 52 ILE HG12 2.900 . 3.640 2.474 2.387 2.530 . 0 0 "[ . 1 . 2 .]" 2
81 1 52 ILE HA 1 55 VAL HB 3.500 2.100 4.370 2.615 2.323 3.197 . 0 0 "[ . 1 . 2 .]" 2
82 1 60 ASN HA 1 61 GLY QA 4.000 2.400 5.000 4.271 4.231 4.331 . 0 0 "[ . 1 . 2 .]" 2
83 1 63 ILE HA 1 63 ILE HG13 2.800 . 3.500 3.380 3.290 3.439 . 0 0 "[ . 1 . 2 .]" 2
84 1 64 ASP HB2 1 66 PRO QD 3.400 . 4.260 2.243 2.225 2.257 . 0 0 "[ . 1 . 2 .]" 2
85 1 65 PHE HA 1 68 PHE HB3 2.800 . 3.510 2.368 2.327 2.429 . 0 0 "[ . 1 . 2 .]" 2
86 1 65 PHE HB3 1 66 PRO QD 3.000 . 3.740 2.156 2.143 2.169 . 0 0 "[ . 1 . 2 .]" 2
87 1 66 PRO HA 1 69 LEU HB2 3.000 . 3.750 3.133 2.904 3.336 . 0 0 "[ . 1 . 2 .]" 2
88 1 67 GLU HA 1 67 GLU QG 2.600 . 3.260 2.403 2.333 2.453 . 0 0 "[ . 1 . 2 .]" 2
89 1 67 GLU HA 1 70 THR HB 2.100 . 2.620 2.671 2.628 2.712 0.092 6 0 "[ . 1 . 2 .]" 2
90 1 67 GLU HB3 1 70 THR HB 3.700 2.200 4.610 3.941 3.813 4.045 . 0 0 "[ . 1 . 2 .]" 2
91 1 68 PHE HA 1 71 MET QB 3.200 . 4.000 3.290 2.967 3.898 . 0 0 "[ . 1 . 2 .]" 2
92 1 68 PHE HA 1 71 MET QG 3.500 2.100 4.390 2.616 2.305 3.014 . 0 0 "[ . 1 . 2 .]" 2
93 1 69 LEU HA 1 69 LEU HG 3.400 . 4.260 3.019 2.842 3.144 . 0 0 "[ . 1 . 2 .]" 2
94 1 69 LEU HA 1 72 MET HB2 3.100 . 3.880 2.901 2.438 3.249 . 0 0 "[ . 1 . 2 .]" 2
95 1 71 MET HA 1 71 MET QG 2.600 . 3.250 2.682 2.233 3.383 0.133 18 0 "[ . 1 . 2 .]" 2
96 1 71 MET HA 1 74 ARG QG 3.700 2.200 4.630 3.117 2.320 3.546 . 0 0 "[ . 1 . 2 .]" 2
97 1 72 MET HA 1 75 LYS QB 3.100 . 3.870 2.786 2.405 2.995 . 0 0 "[ . 1 . 2 .]" 2
98 1 72 MET HA 1 75 LYS QG 3.400 2.100 4.240 3.547 2.841 4.008 . 0 0 "[ . 1 . 2 .]" 2
99 1 74 ARG HA 1 74 ARG QD 2.600 . 3.250 2.710 2.389 3.373 0.123 25 0 "[ . 1 . 2 .]" 2
100 1 74 ARG QB 1 74 ARG QD 1.900 . 2.380 2.276 2.153 2.478 0.098 13 0 "[ . 1 . 2 .]" 2
101 1 75 LYS HA 1 75 LYS QE 3.300 . 4.140 3.958 3.614 4.268 0.128 10 0 "[ . 1 . 2 .]" 2
102 1 75 LYS QB 1 75 LYS QE 3.400 . 4.250 2.924 2.076 3.791 . 0 0 "[ . 1 . 2 .]" 2
103 1 76 MET HA 1 76 MET QG 2.200 . 2.750 2.573 2.011 3.012 0.262 12 0 "[ . 1 . 2 .]" 2
104 1 4 LEU HA 1 4 LEU MD1 3.500 2.100 4.380 3.879 3.821 3.918 . 0 0 "[ . 1 . 2 .]" 2
105 1 4 LEU HA 1 4 LEU MD2 1.800 . 2.260 2.245 2.133 2.278 0.018 2 0 "[ . 1 . 2 .]" 2
106 1 4 LEU HA 1 76 MET ME 4.900 2.900 6.130 4.304 3.282 5.443 . 0 0 "[ . 1 . 2 .]" 2
107 1 4 LEU HB3 1 4 LEU MD2 3.400 . 4.260 2.222 2.205 2.276 . 0 0 "[ . 1 . 2 .]" 2
108 1 4 LEU HB2 1 4 LEU MD1 2.700 . 3.380 2.244 2.213 2.311 . 0 0 "[ . 1 . 2 .]" 2
109 1 4 LEU HB2 1 9 ILE MD 3.900 2.300 4.880 2.600 2.374 3.014 . 0 0 "[ . 1 . 2 .]" 2
110 1 4 LEU MD1 1 69 LEU HA 5.700 3.400 7.130 3.823 3.663 3.969 . 0 0 "[ . 1 . 2 .]" 2
111 1 4 LEU MD1 1 69 LEU HB3 4.900 2.900 6.120 2.871 2.826 2.966 0.074 15 0 "[ . 1 . 2 .]" 2
112 1 4 LEU MD1 1 69 LEU MD1 3.400 . 4.250 3.314 3.172 3.489 . 0 0 "[ . 1 . 2 .]" 2
113 1 4 LEU MD1 1 69 LEU MD2 2.900 . 3.620 2.598 2.241 2.835 . 0 0 "[ . 1 . 2 .]" 2
114 1 4 LEU MD1 1 73 ALA HA 4.400 2.600 5.500 3.669 3.284 4.129 . 0 0 "[ . 1 . 2 .]" 2
115 1 4 LEU MD1 1 73 ALA MB 2.700 . 3.370 2.380 2.218 2.687 . 0 0 "[ . 1 . 2 .]" 2
116 1 4 LEU MD1 1 76 MET ME 4.600 2.800 5.750 4.129 3.223 4.700 . 0 0 "[ . 1 . 2 .]" 2
117 1 4 LEU MD1 1 9 ILE MD 3.500 2.100 4.380 3.424 3.064 3.594 . 0 0 "[ . 1 . 2 .]" 2
118 1 4 LEU MD2 1 73 ALA HA 2.700 . 3.380 3.104 2.811 3.390 0.010 4 0 "[ . 1 . 2 .]" 2
119 1 4 LEU MD2 1 73 ALA MB 2.600 . 3.250 3.252 3.037 3.300 0.050 3 0 "[ . 1 . 2 .]" 2
120 1 4 LEU MD2 1 76 MET ME 2.100 . 2.620 2.295 1.784 2.810 0.190 12 0 "[ . 1 . 2 .]" 2
121 1 4 LEU MD2 1 76 MET QG 4.200 2.500 5.250 3.353 2.331 4.178 0.169 12 0 "[ . 1 . 2 .]" 2
122 1 4 LEU MD2 1 8 GLN HB3 4.100 2.500 5.130 3.051 2.747 3.363 . 0 0 "[ . 1 . 2 .]" 2
123 1 4 LEU HG 1 73 ALA MB 3.500 2.100 4.380 3.710 3.400 3.994 . 0 0 "[ . 1 . 2 .]" 2
124 1 4 LEU HG 1 76 MET ME 5.800 3.500 7.240 4.607 3.784 5.345 . 0 0 "[ . 1 . 2 .]" 2
125 1 5 THR HA 1 5 THR MG 1.800 . 2.240 2.258 2.245 2.280 0.040 9 0 "[ . 1 . 2 .]" 2
126 1 5 THR HA 1 9 ILE MD 5.200 3.100 6.490 4.419 4.139 4.587 . 0 0 "[ . 1 . 2 .]" 2
127 1 5 THR MG 1 8 GLN QG 5.600 3.400 6.990 3.871 3.595 4.114 . 0 0 "[ . 1 . 2 .]" 2
128 1 6 GLU HA 1 9 ILE MD 2.400 . 3.000 2.431 2.300 2.688 . 0 0 "[ . 1 . 2 .]" 2
129 1 6 GLU HA 1 9 ILE MG 4.000 2.400 4.990 4.102 3.949 4.220 . 0 0 "[ . 1 . 2 .]" 2
130 1 6 GLU QG 1 9 ILE MD 4.700 2.800 5.860 3.879 3.263 5.055 . 0 0 "[ . 1 . 2 .]" 2
131 1 7 GLU HA 1 10 ALA MB 1.900 . 2.390 2.423 2.398 2.458 0.068 5 0 "[ . 1 . 2 .]" 2
132 1 9 ILE HA 1 69 LEU MD1 5.700 3.400 7.130 4.148 3.938 4.441 . 0 0 "[ . 1 . 2 .]" 2
133 1 9 ILE HA 1 69 LEU MD2 3.900 2.400 4.870 2.865 2.654 3.239 . 0 0 "[ . 1 . 2 .]" 2
134 1 9 ILE HA 1 9 ILE MD 3.800 2.300 4.750 3.817 3.804 3.832 . 0 0 "[ . 1 . 2 .]" 2
135 1 9 ILE HA 1 9 ILE MG 2.400 . 3.000 2.381 2.338 2.440 . 0 0 "[ . 1 . 2 .]" 2
136 1 9 ILE MD 1 69 LEU MD1 3.500 2.100 4.370 3.448 3.170 3.637 . 0 0 "[ . 1 . 2 .]" 2
137 1 9 ILE MD 1 9 ILE MG 1.600 . 1.990 1.864 1.804 1.957 . 0 0 "[ . 1 . 2 .]" 2
138 1 9 ILE HG12 1 69 LEU MD1 4.800 2.900 6.010 3.233 2.985 3.482 . 0 0 "[ . 1 . 2 .]" 2
139 1 9 ILE HG12 1 69 LEU MD2 4.900 2.900 6.130 2.998 2.869 3.264 0.031 17 0 "[ . 1 . 2 .]" 2
140 1 9 ILE MG 1 10 ALA HA 3.800 2.300 4.750 3.429 3.349 3.501 . 0 0 "[ . 1 . 2 .]" 2
141 1 9 ILE MG 1 13 LYS HA 5.400 3.200 6.750 5.089 4.894 5.264 . 0 0 "[ . 1 . 2 .]" 2
142 1 9 ILE MG 1 13 LYS HB2 5.200 3.100 6.500 3.474 3.257 3.658 . 0 0 "[ . 1 . 2 .]" 2
143 1 9 ILE MG 1 13 LYS QD 4.600 2.800 5.740 3.973 3.718 4.302 . 0 0 "[ . 1 . 2 .]" 2
144 1 9 ILE MG 1 13 LYS QE 3.600 2.100 4.510 3.820 3.503 4.175 . 0 0 "[ . 1 . 2 .]" 2
145 1 9 ILE MG 1 69 LEU MD1 2.700 . 3.390 2.475 2.222 2.910 . 0 0 "[ . 1 . 2 .]" 2
146 1 9 ILE MG 1 69 LEU MD2 2.700 . 3.370 2.426 2.262 2.627 . 0 0 "[ . 1 . 2 .]" 2
147 1 12 PHE HA 1 15 ALA MB 3.300 . 4.120 2.528 2.285 2.727 . 0 0 "[ . 1 . 2 .]" 2
148 1 12 PHE HB2 1 69 LEU MD2 4.800 2.900 6.010 2.845 2.811 2.884 0.089 14 0 "[ . 1 . 2 .]" 2
149 1 14 GLU QG 1 18 LEU MD1 5.100 3.100 6.370 5.593 5.096 5.936 . 0 0 "[ . 1 . 2 .]" 2
150 1 15 ALA HA 1 18 LEU MD1 2.800 . 3.510 2.242 2.053 2.287 . 0 0 "[ . 1 . 2 .]" 2
151 1 15 ALA MB 1 18 LEU MD1 4.000 2.400 5.010 3.432 3.128 3.544 . 0 0 "[ . 1 . 2 .]" 2
152 1 15 ALA MB 1 35 VAL HA 5.500 3.300 6.890 3.637 3.321 3.981 . 0 0 "[ . 1 . 2 .]" 2
153 1 15 ALA MB 1 35 VAL MG1 2.600 . 3.250 2.239 2.137 2.398 . 0 0 "[ . 1 . 2 .]" 2
154 1 15 ALA MB 1 35 VAL MG2 4.700 2.800 5.880 3.883 3.738 4.096 . 0 0 "[ . 1 . 2 .]" 2
155 1 15 ALA MB 1 39 LEU QB 5.100 3.100 6.370 4.548 4.434 4.670 . 0 0 "[ . 1 . 2 .]" 2
156 1 15 ALA MB 1 39 LEU HG 4.000 2.400 5.000 3.204 2.932 3.415 . 0 0 "[ . 1 . 2 .]" 2
157 1 16 PHE HA 1 27 ILE MG 5.500 3.300 6.870 3.376 3.293 3.489 0.007 20 0 "[ . 1 . 2 .]" 2
158 1 16 PHE HA 1 35 VAL MG1 3.000 . 3.740 2.687 2.554 2.803 . 0 0 "[ . 1 . 2 .]" 2
159 1 16 PHE HA 1 35 VAL MG2 3.700 2.200 4.620 2.983 2.801 3.121 . 0 0 "[ . 1 . 2 .]" 2
160 1 18 LEU HA 1 18 LEU MD1 3.400 . 4.260 3.787 3.772 3.803 . 0 0 "[ . 1 . 2 .]" 2
161 1 18 LEU HA 1 18 LEU MD2 1.800 . 2.250 2.133 2.112 2.239 . 0 0 "[ . 1 . 2 .]" 2
162 1 18 LEU HB3 1 18 LEU MD2 2.500 . 3.130 2.276 2.236 2.293 . 0 0 "[ . 1 . 2 .]" 2
163 1 18 LEU HB2 1 18 LEU MD1 2.600 . 3.240 2.287 2.233 2.396 . 0 0 "[ . 1 . 2 .]" 2
164 1 19 PHE HA 1 27 ILE MG 5.600 3.300 7.010 4.284 4.226 4.378 . 0 0 "[ . 1 . 2 .]" 2
165 1 19 PHE HA 1 35 VAL MG2 5.700 3.400 7.140 4.979 4.866 5.162 . 0 0 "[ . 1 . 2 .]" 2
166 1 19 PHE HB2 1 27 ILE MD 5.900 3.500 7.380 3.489 3.457 3.576 0.043 14 0 "[ . 1 . 2 .]" 2
167 1 19 PHE HB2 1 27 ILE MG 4.200 2.500 5.240 2.461 2.425 2.492 0.075 22 0 "[ . 1 . 2 .]" 2
168 1 19 PHE HB2 1 35 VAL MG2 4.500 2.700 5.630 2.817 2.709 2.964 . 0 0 "[ . 1 . 2 .]" 2
169 1 20 ASP HA 1 27 ILE MG 3.400 2.100 4.240 2.591 2.359 2.792 . 0 0 "[ . 1 . 2 .]" 2
170 1 20 ASP HB2 1 27 ILE MG 4.800 2.900 6.000 2.939 2.881 2.991 0.019 5 0 "[ . 1 . 2 .]" 2
171 1 25 GLY QA 1 26 THR MG 5.600 3.400 7.000 3.375 3.355 3.394 0.045 16 0 "[ . 1 . 2 .]" 2
172 1 26 THR HA 1 26 THR MG 2.300 . 2.880 2.371 2.338 2.406 . 0 0 "[ . 1 . 2 .]" 2
173 1 26 THR MG 1 64 ASP HA 2.500 . 3.130 2.331 2.301 2.424 . 0 0 "[ . 1 . 2 .]" 2
174 1 26 THR MG 1 64 ASP HB3 3.000 . 3.760 2.629 2.494 2.717 . 0 0 "[ . 1 . 2 .]" 2
175 1 27 ILE HA 1 27 ILE MD 4.400 2.600 5.510 4.151 4.147 4.160 . 0 0 "[ . 1 . 2 .]" 2
176 1 27 ILE HA 1 27 ILE MG 2.600 . 3.250 2.350 2.315 2.366 . 0 0 "[ . 1 . 2 .]" 2
177 1 27 ILE HA 1 28 THR MG 4.000 2.400 5.000 3.346 3.305 3.375 . 0 0 "[ . 1 . 2 .]" 2
178 1 27 ILE HB 1 27 ILE MD 2.900 . 3.620 2.353 2.333 2.384 . 0 0 "[ . 1 . 2 .]" 2
179 1 27 ILE HB 1 35 VAL MG2 5.800 3.500 7.240 3.808 3.697 3.931 . 0 0 "[ . 1 . 2 .]" 2
180 1 27 ILE MD 1 27 ILE MG 2.200 . 2.750 1.892 1.838 1.954 . 0 0 "[ . 1 . 2 .]" 2
181 1 27 ILE MD 1 31 GLU HB2 4.900 2.900 6.130 3.411 3.272 3.591 . 0 0 "[ . 1 . 2 .]" 2
182 1 27 ILE MD 1 32 LEU HA 3.100 . 3.870 2.936 2.842 3.066 . 0 0 "[ . 1 . 2 .]" 2
183 1 27 ILE MD 1 32 LEU MD1 2.500 . 3.130 2.934 2.779 3.079 . 0 0 "[ . 1 . 2 .]" 2
184 1 27 ILE MD 1 35 VAL HB 4.500 2.700 5.620 3.489 3.372 3.592 . 0 0 "[ . 1 . 2 .]" 2
185 1 27 ILE MD 1 35 VAL MG1 3.500 2.100 4.370 3.228 3.112 3.346 . 0 0 "[ . 1 . 2 .]" 2
186 1 27 ILE MD 1 35 VAL MG2 2.400 . 3.010 2.082 1.986 2.152 . 0 0 "[ . 1 . 2 .]" 2
187 1 27 ILE MD 1 63 ILE HB 4.700 2.800 5.890 3.154 3.059 3.273 . 0 0 "[ . 1 . 2 .]" 2
188 1 27 ILE MD 1 63 ILE MD 3.200 . 4.010 3.182 2.964 3.350 . 0 0 "[ . 1 . 2 .]" 2
189 1 27 ILE MD 1 63 ILE HG13 5.200 3.100 6.510 4.354 4.243 4.473 . 0 0 "[ . 1 . 2 .]" 2
190 1 27 ILE MD 1 63 ILE MG 3.700 2.200 4.640 3.802 3.686 3.941 . 0 0 "[ . 1 . 2 .]" 2
191 1 27 ILE MG 1 35 VAL MG2 3.900 2.300 4.870 3.058 2.932 3.181 . 0 0 "[ . 1 . 2 .]" 2
192 1 27 ILE MG 1 68 PHE HB2 4.800 2.900 5.990 5.578 5.442 5.731 . 0 0 "[ . 1 . 2 .]" 2
193 1 28 THR HA 1 28 THR MG 2.000 . 2.480 2.555 2.546 2.560 0.080 16 0 "[ . 1 . 2 .]" 2
194 1 28 THR HA 1 29 THR MG 5.500 3.300 6.870 3.962 3.803 4.056 . 0 0 "[ . 1 . 2 .]" 2
195 1 28 THR HA 1 62 THR MG 2.700 . 3.370 2.687 2.361 3.334 . 0 0 "[ . 1 . 2 .]" 2
196 1 28 THR HA 1 63 ILE MD 5.500 3.300 6.880 5.061 4.932 5.200 . 0 0 "[ . 1 . 2 .]" 2
197 1 28 THR HB 1 62 THR MG 4.400 2.600 5.510 3.635 3.431 4.046 . 0 0 "[ . 1 . 2 .]" 2
198 1 28 THR MG 1 31 GLU QG 4.600 2.800 5.750 3.357 3.201 3.470 . 0 0 "[ . 1 . 2 .]" 2
199 1 28 THR MG 1 62 THR HA 4.100 2.500 5.120 4.307 4.206 4.363 . 0 0 "[ . 1 . 2 .]" 2
200 1 29 THR HA 1 29 THR MG 2.000 . 2.510 2.236 2.220 2.276 . 0 0 "[ . 1 . 2 .]" 2
201 1 29 THR HA 1 32 LEU MD2 4.300 2.600 5.370 3.613 3.465 3.718 . 0 0 "[ . 1 . 2 .]" 2
202 1 29 THR HA 1 52 ILE MD 3.400 . 4.250 4.075 3.856 4.285 0.035 7 0 "[ . 1 . 2 .]" 2
203 1 29 THR HA 1 63 ILE MD 2.700 . 3.370 2.499 2.307 2.692 . 0 0 "[ . 1 . 2 .]" 2
204 1 29 THR HB 1 52 ILE MD 2.300 . 2.890 2.439 2.264 2.696 . 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 605
_Distance_constraint_stats_list.Viol_count 5558
_Distance_constraint_stats_list.Viol_total 16091.965
_Distance_constraint_stats_list.Viol_max 0.862
_Distance_constraint_stats_list.Viol_rms 0.0891
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0426
_Distance_constraint_stats_list.Viol_average_violations_only 0.1158
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 ALA 0.520 0.045 17 0 "[ . 1 . 2 .]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 MET 0.002 0.002 4 0 "[ . 1 . 2 .]"
1 39 LEU 0.522 0.045 17 0 "[ . 1 . 2 .]"
1 41 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 GLU 0.014 0.014 21 0 "[ . 1 . 2 .]"
1 48 LEU 0.018 0.018 21 0 "[ . 1 . 2 .]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 MET 0.045 0.018 21 0 "[ . 1 . 2 .]"
1 52 ILE 1.439 0.083 1 0 "[ . 1 . 2 .]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 GLU 1.903 0.104 21 0 "[ . 1 . 2 .]"
1 55 VAL 7.116 0.260 7 0 "[ . 1 . 2 .]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 57 ALA 7.893 0.260 7 0 "[ . 1 . 2 .]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 GLY 0.011 0.011 5 0 "[ . 1 . 2 .]"
1 62 THR 0.011 0.011 5 0 "[ . 1 . 2 .]"
1 63 ILE 0.312 0.045 2 0 "[ . 1 . 2 .]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 67 GLU 0.056 0.022 21 0 "[ . 1 . 2 .]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 LEU 0.496 0.069 10 0 "[ . 1 . 2 .]"
1 70 THR 1.866 0.177 25 0 "[ . 1 . 2 .]"
1 71 MET 0.982 0.080 12 0 "[ . 1 . 2 .]"
1 72 MET 0.079 0.079 24 0 "[ . 1 . 2 .]"
1 73 ALA 0.114 0.076 24 0 "[ . 1 . 2 .]"
1 74 ARG 1.853 0.177 25 0 "[ . 1 . 2 .]"
1 75 LYS 0.013 0.013 13 0 "[ . 1 . 2 .]"
1 76 MET 8.050 0.704 25 8 "[ * . -* ** * 2* +]"
1 77 LYS 24.733 0.809 23 1 "[ . 1 . 2 + .]"
1 78 ASP 35.019 0.809 23 12 "[ * . ** 1 **.** *2-*+*.]"
1 79 THR 31.950 0.704 25 18 "[ ** . **-* ****** *2****+]"
1 80 ASP 12.009 0.196 25 0 "[ . 1 . 2 .]"
1 81 SER 9.369 0.202 10 0 "[ . 1 . 2 .]"
1 82 GLU 19.416 0.242 23 0 "[ . 1 . 2 .]"
1 83 GLU 13.144 0.242 23 0 "[ . 1 . 2 .]"
1 84 GLU 8.143 0.161 23 0 "[ . 1 . 2 .]"
1 85 ILE 12.935 0.269 16 0 "[ . 1 . 2 .]"
1 86 ARG 8.040 0.199 8 0 "[ . 1 . 2 .]"
1 87 GLU 7.810 0.307 20 0 "[ . 1 . 2 .]"
1 88 ALA 9.879 0.307 20 0 "[ . 1 . 2 .]"
1 89 PHE 51.381 0.479 16 0 "[ . 1 . 2 .]"
1 90 ARG 4.036 0.156 24 0 "[ . 1 . 2 .]"
1 91 VAL 17.298 0.320 24 0 "[ . 1 . 2 .]"
1 92 PHE 93.241 0.558 19 4 "[ . 1 -* +2 * .]"
1 93 ASP 23.161 0.474 5 0 "[ . 1 . 2 .]"
1 94 LYS 11.528 0.483 17 0 "[ . 1 . 2 .]"
1 95 ASP 12.743 0.483 17 0 "[ . 1 . 2 .]"
1 96 GLY 7.118 0.382 17 0 "[ . 1 . 2 .]"
1 97 ASN 6.896 0.418 25 0 "[ . 1 . 2 .]"
1 98 GLY 8.774 0.242 5 0 "[ . 1 . 2 .]"
1 99 TYR 5.939 0.242 5 0 "[ . 1 . 2 .]"
1 100 ILE 36.833 0.558 19 4 "[ . 1 -* +2 * .]"
1 101 SER 7.180 0.309 12 0 "[ . 1 . 2 .]"
1 102 ALA 3.555 0.186 11 0 "[ . 1 . 2 .]"
1 103 ALA 9.387 0.150 16 0 "[ . 1 . 2 .]"
1 104 GLU 10.261 0.336 15 0 "[ . 1 . 2 .]"
1 105 LEU 23.211 0.479 16 0 "[ . 1 . 2 .]"
1 106 ARG 10.335 0.249 12 0 "[ . 1 . 2 .]"
1 107 HIS 14.517 0.336 15 0 "[ . 1 . 2 .]"
1 108 VAL 29.827 0.407 14 0 "[ . 1 . 2 .]"
1 109 MET 15.663 0.273 2 0 "[ . 1 . 2 .]"
1 110 THR 14.123 0.213 23 0 "[ . 1 . 2 .]"
1 111 ASN 6.085 0.210 24 0 "[ . 1 . 2 .]"
1 112 LEU 29.517 0.405 20 0 "[ . 1 . 2 .]"
1 113 GLY 17.304 0.405 20 0 "[ . 1 . 2 .]"
1 114 GLU 20.744 0.530 14 2 "[ . 1 +. 2 -.]"
1 115 LYS 20.033 0.530 14 2 "[ . 1 +. 2 -.]"
1 116 LEU 14.134 0.323 14 0 "[ . 1 . 2 .]"
1 117 THR 1.442 0.103 21 0 "[ . 1 . 2 .]"
1 118 ASP 1.535 0.082 18 0 "[ . 1 . 2 .]"
1 119 GLU 2.926 0.248 7 0 "[ . 1 . 2 .]"
1 120 GLU 2.257 0.103 21 0 "[ . 1 . 2 .]"
1 121 VAL 7.640 0.143 7 0 "[ . 1 . 2 .]"
1 122 ASP 4.535 0.143 7 0 "[ . 1 . 2 .]"
1 123 GLU 3.201 0.139 20 0 "[ . 1 . 2 .]"
1 124 MET 14.626 0.484 12 0 "[ . 1 . 2 .]"
1 125 ILE 12.863 0.311 24 0 "[ . 1 . 2 .]"
1 126 ARG 6.506 0.152 22 0 "[ . 1 . 2 .]"
1 127 GLU 6.657 0.220 8 0 "[ . 1 . 2 .]"
1 128 ALA 33.206 0.568 11 2 "[ . 1+ . 2 -.]"
1 129 ASP 27.956 0.568 11 2 "[ . 1+ . 2 -.]"
1 130 ILE 44.035 0.862 8 25 [*******+-****************]
1 131 ASP 58.335 0.862 8 25 [*******+-****************]
1 132 GLY 14.404 0.479 20 0 "[ . 1 . 2 .]"
1 133 ASP 7.116 0.265 16 0 "[ . 1 . 2 .]"
1 134 GLY 5.959 0.379 24 0 "[ . 1 . 2 .]"
1 135 GLN 7.052 0.379 24 0 "[ . 1 . 2 .]"
1 136 VAL 16.499 0.254 19 0 "[ . 1 . 2 .]"
1 137 ASN 14.617 0.407 3 0 "[ . 1 . 2 .]"
1 138 TYR 15.572 0.387 15 0 "[ . 1 . 2 .]"
1 139 GLU 10.267 0.309 25 0 "[ . 1 . 2 .]"
1 140 GLU 1.705 0.094 6 0 "[ . 1 . 2 .]"
1 141 PHE 77.059 0.558 19 4 "[ . 1 -* +2 * .]"
1 142 VAL 7.095 0.153 6 0 "[ . 1 . 2 .]"
1 143 GLN 0.359 0.038 20 0 "[ . 1 . 2 .]"
1 144 MET 3.987 0.101 18 0 "[ . 1 . 2 .]"
1 145 MET 5.124 0.207 3 0 "[ . 1 . 2 .]"
1 146 THR 19.907 0.443 17 0 "[ . 1 . 2 .]"
1 147 ALA 22.615 0.468 9 0 "[ . 1 . 2 .]"
1 148 LYS 13.022 0.468 9 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 36 MET QG 1 48 LEU MD2 4.900 2.900 6.120 3.337 2.973 3.827 . 0 0 "[ . 1 . 2 .]" 3
2 1 39 LEU QB 1 72 MET ME 3.500 2.100 4.370 3.331 3.133 3.555 . 0 0 "[ . 1 . 2 .]" 3
3 1 41 GLN QG 1 72 MET ME 4.300 2.600 5.380 3.822 3.186 4.720 . 0 0 "[ . 1 . 2 .]" 3
4 1 43 PRO HA 1 44 THR MG 5.300 3.200 6.630 3.810 3.629 3.933 . 0 0 "[ . 1 . 2 .]" 3
5 1 43 PRO HA 1 48 LEU MD1 6.000 3.600 7.490 5.280 4.945 5.615 . 0 0 "[ . 1 . 2 .]" 3
6 1 43 PRO HA 1 51 MET ME 5.500 3.300 6.880 5.801 5.330 6.453 . 0 0 "[ . 1 . 2 .]" 3
7 1 43 PRO HB2 1 48 LEU MD1 4.300 2.600 5.380 3.519 3.267 3.810 . 0 0 "[ . 1 . 2 .]" 3
8 1 43 PRO HB2 1 48 LEU MD2 3.700 2.200 4.620 3.375 2.907 3.834 . 0 0 "[ . 1 . 2 .]" 3
9 1 43 PRO HD2 1 48 LEU MD2 5.500 3.300 6.870 3.965 3.550 4.247 . 0 0 "[ . 1 . 2 .]" 3
10 1 43 PRO QG 1 48 LEU MD1 3.300 . 4.120 2.834 2.632 3.267 . 0 0 "[ . 1 . 2 .]" 3
11 1 43 PRO QG 1 48 LEU MD2 2.700 . 3.380 2.360 2.094 2.586 . 0 0 "[ . 1 . 2 .]" 3
12 1 44 THR MG 1 47 GLU QG 4.300 2.600 5.380 3.651 3.435 3.909 . 0 0 "[ . 1 . 2 .]" 3
13 1 45 GLU HA 1 48 LEU MD1 2.600 . 3.260 2.594 2.406 2.782 . 0 0 "[ . 1 . 2 .]" 3
14 1 47 GLU HB2 1 51 MET ME 4.400 2.600 5.500 4.585 4.151 5.514 0.014 21 0 "[ . 1 . 2 .]" 3
15 1 48 LEU HA 1 48 LEU MD1 3.500 2.100 4.370 3.804 3.788 3.819 . 0 0 "[ . 1 . 2 .]" 3
16 1 48 LEU HA 1 48 LEU MD2 2.200 . 2.740 2.186 2.122 2.253 . 0 0 "[ . 1 . 2 .]" 3
17 1 48 LEU HA 1 51 MET ME 2.500 . 3.120 2.514 2.167 3.138 0.018 21 0 "[ . 1 . 2 .]" 3
18 1 48 LEU HB3 1 48 LEU MD2 2.600 . 3.250 2.249 2.213 2.276 . 0 0 "[ . 1 . 2 .]" 3
19 1 48 LEU HB3 1 52 ILE MD 4.100 2.500 5.120 2.914 2.527 3.302 . 0 0 "[ . 1 . 2 .]" 3
20 1 48 LEU HB2 1 48 LEU MD1 2.700 . 3.370 2.258 2.226 2.320 . 0 0 "[ . 1 . 2 .]" 3
21 1 48 LEU MD1 1 51 MET ME 4.300 2.600 5.380 4.597 4.226 4.880 . 0 0 "[ . 1 . 2 .]" 3
22 1 48 LEU MD2 1 51 MET ME 2.500 . 3.120 2.531 2.156 2.941 . 0 0 "[ . 1 . 2 .]" 3
23 1 49 GLN HA 1 52 ILE MD 2.700 . 3.370 2.272 2.205 2.343 . 0 0 "[ . 1 . 2 .]" 3
24 1 49 GLN HA 1 52 ILE MG 4.000 2.400 5.000 3.634 3.431 3.761 . 0 0 "[ . 1 . 2 .]" 3
25 1 51 MET HB2 1 51 MET ME 3.500 2.100 4.360 2.299 2.160 2.429 . 0 0 "[ . 1 . 2 .]" 3
26 1 51 MET ME 1 75 LYS QD 4.800 2.900 6.000 4.396 2.887 5.820 0.013 13 0 "[ . 1 . 2 .]" 3
27 1 52 ILE HA 1 52 ILE MD 3.100 . 3.870 3.801 3.769 3.819 . 0 0 "[ . 1 . 2 .]" 3
28 1 52 ILE HA 1 52 ILE MG 2.500 . 3.130 2.461 2.403 2.525 . 0 0 "[ . 1 . 2 .]" 3
29 1 52 ILE HA 1 55 VAL QG 2.600 . 3.260 3.283 3.195 3.343 0.083 1 0 "[ . 1 . 2 .]" 3
30 1 52 ILE HA 1 71 MET ME 3.400 . 4.260 4.260 3.931 4.340 0.080 12 0 "[ . 1 . 2 .]" 3
31 1 52 ILE MD 1 52 ILE MG 1.800 . 2.240 1.898 1.772 2.072 . 0 0 "[ . 1 . 2 .]" 3
32 1 52 ILE MG 1 53 ASN HA 4.200 2.500 5.240 3.211 3.156 3.260 . 0 0 "[ . 1 . 2 .]" 3
33 1 52 ILE MG 1 56 ASP HB3 3.700 2.200 4.630 3.112 2.872 3.331 . 0 0 "[ . 1 . 2 .]" 3
34 1 54 GLU HA 1 57 ALA MB 2.900 . 3.630 3.706 3.681 3.734 0.104 21 0 "[ . 1 . 2 .]" 3
35 1 54 GLU QB 1 55 VAL QG 3.100 . 3.870 3.044 2.838 3.750 . 0 0 "[ . 1 . 2 .]" 3
36 1 55 VAL HA 1 55 VAL QG 2.100 . 2.620 2.073 2.043 2.096 . 0 0 "[ . 1 . 2 .]" 3
37 1 55 VAL HB 1 63 ILE MG 5.600 3.400 7.010 4.403 4.147 4.759 . 0 0 "[ . 1 . 2 .]" 3
38 1 55 VAL HB 1 71 MET ME 5.900 3.500 7.390 3.701 3.463 4.009 0.037 10 0 "[ . 1 . 2 .]" 3
39 1 55 VAL QG 1 56 ASP HA 5.500 3.300 6.880 3.542 3.439 3.897 . 0 0 "[ . 1 . 2 .]" 3
40 1 55 VAL QG 1 56 ASP HB2 4.400 2.600 5.500 4.329 4.210 4.620 . 0 0 "[ . 1 . 2 .]" 3
41 1 55 VAL QG 1 57 ALA MB 3.200 . 4.000 4.240 4.213 4.260 0.260 7 0 "[ . 1 . 2 .]" 3
42 1 55 VAL QG 1 63 ILE HA 5.300 3.200 6.610 3.366 3.155 3.595 0.045 2 0 "[ . 1 . 2 .]" 3
43 1 55 VAL QG 1 63 ILE MD 2.600 . 3.250 2.615 2.193 3.130 . 0 0 "[ . 1 . 2 .]" 3
44 1 55 VAL QG 1 63 ILE HG12 4.000 2.400 5.010 2.612 2.387 3.161 0.013 20 0 "[ . 1 . 2 .]" 3
45 1 55 VAL QG 1 67 GLU HB3 4.800 2.900 6.000 3.186 2.878 3.600 0.022 21 0 "[ . 1 . 2 .]" 3
46 1 55 VAL QG 1 71 MET ME 1.900 . 2.370 2.065 1.910 2.305 . 0 0 "[ . 1 . 2 .]" 3
47 1 55 VAL QG 1 71 MET QG 5.000 3.000 6.250 3.529 2.935 4.463 0.065 6 0 "[ . 1 . 2 .]" 3
48 1 57 ALA MB 1 58 ASP HA 4.700 2.800 5.880 3.952 3.919 3.984 . 0 0 "[ . 1 . 2 .]" 3
49 1 61 GLY QA 1 62 THR MG 5.700 3.400 7.120 3.492 3.389 3.598 0.011 5 0 "[ . 1 . 2 .]" 3
50 1 62 THR HA 1 62 THR MG 2.000 . 2.500 2.334 2.289 2.466 . 0 0 "[ . 1 . 2 .]" 3
51 1 63 ILE HA 1 63 ILE MD 3.400 . 4.250 3.846 3.796 3.907 . 0 0 "[ . 1 . 2 .]" 3
52 1 63 ILE HA 1 63 ILE MG 2.400 . 3.010 2.256 2.214 2.288 . 0 0 "[ . 1 . 2 .]" 3
53 1 63 ILE MD 1 63 ILE MG 2.000 . 2.510 1.917 1.860 1.945 . 0 0 "[ . 1 . 2 .]" 3
54 1 63 ILE MD 1 68 PHE HA 4.400 2.600 5.500 4.698 4.498 4.856 . 0 0 "[ . 1 . 2 .]" 3
55 1 63 ILE MD 1 68 PHE HB2 5.600 3.400 6.990 4.865 4.721 5.014 . 0 0 "[ . 1 . 2 .]" 3
56 1 63 ILE MD 1 71 MET ME 2.100 . 2.620 2.212 2.002 2.342 . 0 0 "[ . 1 . 2 .]" 3
57 1 63 ILE HG12 1 71 MET ME 4.000 2.400 5.010 4.112 3.859 4.342 . 0 0 "[ . 1 . 2 .]" 3
58 1 63 ILE MG 1 67 GLU HB3 3.500 2.100 4.370 3.104 2.858 3.344 . 0 0 "[ . 1 . 2 .]" 3
59 1 63 ILE MG 1 67 GLU QG 5.200 3.100 6.510 4.237 4.064 4.379 . 0 0 "[ . 1 . 2 .]" 3
60 1 63 ILE MG 1 68 PHE HA 3.800 2.300 4.760 3.160 2.996 3.286 . 0 0 "[ . 1 . 2 .]" 3
61 1 63 ILE MG 1 68 PHE QB 4.100 2.500 5.130 3.012 2.798 3.166 . 0 0 "[ . 1 . 2 .]" 3
62 1 63 ILE MG 1 71 MET ME 2.000 . 2.510 2.422 2.217 2.551 0.041 24 0 "[ . 1 . 2 .]" 3
63 1 66 PRO HA 1 69 LEU MD1 3.300 . 4.130 2.635 2.452 2.826 . 0 0 "[ . 1 . 2 .]" 3
64 1 67 GLU HA 1 70 THR MG 3.300 . 4.130 4.028 3.930 4.089 . 0 0 "[ . 1 . 2 .]" 3
65 1 68 PHE HA 1 71 MET ME 3.400 . 4.250 3.301 2.633 3.710 . 0 0 "[ . 1 . 2 .]" 3
66 1 69 LEU HA 1 69 LEU MD1 3.700 2.200 4.620 3.804 3.781 3.816 . 0 0 "[ . 1 . 2 .]" 3
67 1 69 LEU HA 1 69 LEU MD2 2.300 . 2.870 2.103 2.075 2.132 . 0 0 "[ . 1 . 2 .]" 3
68 1 69 LEU HA 1 72 MET ME 5.400 3.200 6.760 5.403 4.741 5.849 . 0 0 "[ . 1 . 2 .]" 3
69 1 69 LEU HB3 1 69 LEU MD1 2.500 . 3.130 2.315 2.253 2.389 . 0 0 "[ . 1 . 2 .]" 3
70 1 69 LEU HB3 1 69 LEU MD2 3.300 . 4.120 2.304 2.258 2.361 . 0 0 "[ . 1 . 2 .]" 3
71 1 69 LEU MD1 1 69 LEU MD2 1.600 . 2.010 2.030 2.015 2.079 0.069 10 0 "[ . 1 . 2 .]" 3
72 1 70 THR HA 1 70 THR MG 2.000 . 2.490 2.375 2.309 2.434 . 0 0 "[ . 1 . 2 .]" 3
73 1 70 THR HA 1 73 ALA MB 2.200 . 2.760 2.524 2.306 2.772 0.012 16 0 "[ . 1 . 2 .]" 3
74 1 70 THR MG 1 74 ARG QD 3.600 2.200 4.490 4.413 3.749 4.667 0.177 25 0 "[ . 1 . 2 .]" 3
75 1 70 THR MG 1 74 ARG QG 5.000 3.000 6.240 3.005 2.881 3.400 0.119 2 0 "[ . 1 . 2 .]" 3
76 1 72 MET HA 1 72 MET ME 3.100 . 3.870 3.226 2.649 3.949 0.079 24 0 "[ . 1 . 2 .]" 3
77 1 72 MET ME 1 76 MET QG 3.800 2.300 4.740 3.792 3.327 4.529 . 0 0 "[ . 1 . 2 .]" 3
78 1 73 ALA HA 1 76 MET ME 3.900 2.300 4.870 4.182 2.456 4.946 0.076 24 0 "[ . 1 . 2 .]" 3
79 1 11 GLU QG 1 39 LEU MD2 3.700 2.200 4.640 3.419 2.433 4.631 . 0 0 "[ . 1 . 2 .]" 3
80 1 12 PHE HA 1 39 LEU MD1 4.000 2.400 5.000 3.287 3.081 3.551 . 0 0 "[ . 1 . 2 .]" 3
81 1 12 PHE HA 1 39 LEU MD2 3.000 . 3.750 2.883 2.688 3.128 . 0 0 "[ . 1 . 2 .]" 3
82 1 15 ALA HA 1 39 LEU MD2 5.200 3.100 6.510 4.376 4.180 4.549 . 0 0 "[ . 1 . 2 .]" 3
83 1 15 ALA MB 1 39 LEU MD1 2.500 . 3.120 3.117 2.916 3.165 0.045 17 0 "[ . 1 . 2 .]" 3
84 1 15 ALA MB 1 39 LEU MD2 1.800 . 2.240 2.149 1.999 2.254 0.014 24 0 "[ . 1 . 2 .]" 3
85 1 35 VAL MG1 1 39 LEU MD1 2.900 . 3.630 3.061 2.831 3.266 . 0 0 "[ . 1 . 2 .]" 3
86 1 36 MET HA 1 39 LEU MD1 4.100 2.500 5.120 2.705 2.498 2.976 0.002 4 0 "[ . 1 . 2 .]" 3
87 1 39 LEU HA 1 39 LEU MD1 3.500 2.100 4.380 3.847 3.802 3.885 . 0 0 "[ . 1 . 2 .]" 3
88 1 39 LEU HA 1 39 LEU MD2 1.900 . 2.370 2.164 2.107 2.221 . 0 0 "[ . 1 . 2 .]" 3
89 1 39 LEU QB 1 39 LEU MD1 2.300 . 2.890 2.100 2.089 2.110 . 0 0 "[ . 1 . 2 .]" 3
90 1 39 LEU QB 1 39 LEU MD2 3.100 . 3.860 2.238 2.187 2.293 . 0 0 "[ . 1 . 2 .]" 3
91 1 39 LEU MD1 1 72 MET ME 2.400 . 2.990 1.956 1.846 2.136 . 0 0 "[ . 1 . 2 .]" 3
92 1 39 LEU MD2 1 72 MET ME 3.800 2.300 4.750 3.770 3.510 4.053 . 0 0 "[ . 1 . 2 .]" 3
93 1 89 PHE HA 1 89 PHE QD 2.500 . 2.830 2.440 2.346 2.580 . 0 0 "[ . 1 . 2 .]" 3
94 1 89 PHE HA 1 92 PHE QD 2.700 . 3.120 3.266 3.174 3.350 0.230 18 0 "[ . 1 . 2 .]" 3
95 1 89 PHE HB3 1 89 PHE QD 3.400 . 3.990 2.619 2.596 2.636 . 0 0 "[ . 1 . 2 .]" 3
96 1 89 PHE HB3 1 92 PHE QD 5.200 2.700 6.240 5.644 5.563 5.702 . 0 0 "[ . 1 . 2 .]" 3
97 1 89 PHE HB2 1 89 PHE QD 2.900 . 3.370 2.339 2.328 2.350 . 0 0 "[ . 1 . 2 .]" 3
98 1 89 PHE HB2 1 92 PHE QD 5.800 2.900 7.000 5.944 5.870 6.015 . 0 0 "[ . 1 . 2 .]" 3
99 1 92 PHE HA 1 92 PHE QD 2.400 . 2.660 2.853 2.733 2.949 0.289 25 0 "[ . 1 . 2 .]" 3
100 1 92 PHE HB3 1 92 PHE QD 2.500 . 2.860 2.318 2.303 2.326 . 0 0 "[ . 1 . 2 .]" 3
101 1 92 PHE HB2 1 92 PHE QD 2.400 . 2.750 2.456 2.441 2.480 . 0 0 "[ . 1 . 2 .]" 3
102 1 141 PHE HA 1 141 PHE QD 2.500 . 2.830 2.806 2.746 2.907 0.077 8 0 "[ . 1 . 2 .]" 3
103 1 141 PHE QB 1 141 PHE QD 2.400 . 2.740 2.155 2.144 2.164 . 0 0 "[ . 1 . 2 .]" 3
104 1 89 PHE QD 1 138 TYR QE 3.900 3.300 5.000 4.464 4.130 4.766 . 0 0 "[ . 1 . 2 .]" 3
105 1 89 PHE QD 1 138 TYR QD 3.400 2.700 4.200 3.113 2.682 3.357 0.018 18 0 "[ . 1 . 2 .]" 3
106 1 89 PHE QE 1 138 TYR QD 3.900 3.300 5.000 4.337 3.893 4.717 . 0 0 "[ . 1 . 2 .]" 3
107 1 104 GLU HA 1 107 HIS HD2 3.500 2.800 4.500 4.583 4.410 4.836 0.336 15 0 "[ . 1 . 2 .]" 3
108 1 107 HIS HD2 1 108 VAL HA 3.500 2.800 4.500 4.350 3.058 4.751 0.251 4 0 "[ . 1 . 2 .]" 3
109 1 99 TYR QD 1 136 VAL HA 3.500 2.800 4.500 3.147 2.762 4.029 0.038 17 0 "[ . 1 . 2 .]" 3
110 1 99 TYR QD 1 137 ASN HA 3.500 2.800 4.500 3.421 3.100 3.867 . 0 0 "[ . 1 . 2 .]" 3
111 1 99 TYR QE 1 136 VAL HA 3.500 2.800 4.500 3.922 3.001 4.460 . 0 0 "[ . 1 . 2 .]" 3
112 1 99 TYR QE 1 137 ASN HA 3.500 2.800 4.500 4.152 3.396 4.518 0.018 25 0 "[ . 1 . 2 .]" 3
113 1 138 TYR HA 1 138 TYR QD 4.300 2.300 5.200 3.559 3.457 3.693 . 0 0 "[ . 1 . 2 .]" 3
114 1 138 TYR QD 1 139 GLU HA 3.300 2.800 4.000 3.582 2.714 3.894 0.086 4 0 "[ . 1 . 2 .]" 3
115 1 93 ASP HA 1 138 TYR QE 4.200 3.600 5.300 4.972 4.169 5.507 0.207 23 0 "[ . 1 . 2 .]" 3
116 1 86 ARG HA 1 138 TYR QE 3.300 2.800 4.000 4.101 4.019 4.199 0.199 8 0 "[ . 1 . 2 .]" 3
117 1 90 ARG HA 1 138 TYR QE 4.200 3.600 5.000 4.362 4.132 4.506 . 0 0 "[ . 1 . 2 .]" 3
118 1 85 ILE HA 1 89 PHE QD 3.800 2.300 4.760 4.181 4.049 4.292 . 0 0 "[ . 1 . 2 .]" 3
119 1 85 ILE HA 1 89 PHE QE 3.800 2.300 4.760 4.810 4.748 4.866 0.106 21 0 "[ . 1 . 2 .]" 3
120 1 86 ARG HA 1 89 PHE QD 2.100 . 2.630 2.768 2.728 2.814 0.184 22 0 "[ . 1 . 2 .]" 3
121 1 86 ARG QB 1 89 PHE QD 3.800 2.300 4.760 4.532 4.347 4.803 0.043 6 0 "[ . 1 . 2 .]" 3
122 1 89 PHE QD 1 105 LEU HA 2.600 . 3.250 3.459 3.389 3.576 0.326 18 0 "[ . 1 . 2 .]" 3
123 1 89 PHE QD 1 105 LEU HG 3.700 2.200 4.630 4.511 4.405 4.575 . 0 0 "[ . 1 . 2 .]" 3
124 1 89 PHE QD 1 108 VAL HB 2.700 . 3.380 3.533 3.475 3.587 0.207 17 0 "[ . 1 . 2 .]" 3
125 1 89 PHE QD 1 138 TYR QB 3.100 . 3.890 2.768 2.481 3.373 . 0 0 "[ . 1 . 2 .]" 3
126 1 89 PHE QD 1 142 VAL HA 3.400 . 4.240 4.332 4.270 4.393 0.153 6 0 "[ . 1 . 2 .]" 3
127 1 89 PHE QE 1 105 LEU HA 2.100 . 2.630 2.029 1.945 2.181 . 0 0 "[ . 1 . 2 .]" 3
128 1 89 PHE QE 1 105 LEU QB 3.600 2.200 4.500 3.334 3.162 3.469 . 0 0 "[ . 1 . 2 .]" 3
129 1 89 PHE QE 1 105 LEU HG 2.600 . 3.250 2.249 2.170 2.306 . 0 0 "[ . 1 . 2 .]" 3
130 1 89 PHE QE 1 142 VAL HA 2.500 . 3.120 3.187 3.143 3.228 0.108 16 0 "[ . 1 . 2 .]" 3
131 1 91 VAL HB 1 92 PHE QD 2.100 . 2.630 2.902 2.833 2.950 0.320 24 0 "[ . 1 . 2 .]" 3
132 1 92 PHE QD 1 104 GLU HA 2.900 . 3.630 3.666 3.472 3.822 0.192 12 0 "[ . 1 . 2 .]" 3
133 1 92 PHE QD 1 104 GLU QB 3.000 . 3.760 2.276 2.196 2.312 . 0 0 "[ . 1 . 2 .]" 3
134 1 92 PHE QD 1 104 GLU QG 2.600 . 3.250 2.570 2.249 3.037 . 0 0 "[ . 1 . 2 .]" 3
135 1 92 PHE QD 1 107 HIS HB3 3.300 . 4.120 4.278 4.162 4.385 0.265 13 0 "[ . 1 . 2 .]" 3
136 1 92 PHE QE 1 104 GLU HA 3.900 2.300 4.880 3.189 2.746 3.368 . 0 0 "[ . 1 . 2 .]" 3
137 1 92 PHE QE 1 107 HIS HB3 3.600 2.200 4.500 2.891 2.582 3.440 . 0 0 "[ . 1 . 2 .]" 3
138 1 121 VAL HA 1 141 PHE HZ 4.000 2.400 5.010 5.043 4.919 5.090 0.080 10 0 "[ . 1 . 2 .]" 3
139 1 124 MET HA 1 141 PHE QE 3.100 . 3.890 4.348 4.315 4.374 0.484 12 0 "[ . 1 . 2 .]" 3
140 1 124 MET HA 1 141 PHE HZ 3.800 2.300 4.760 4.621 4.449 4.770 0.010 16 0 "[ . 1 . 2 .]" 3
141 1 124 MET HB3 1 141 PHE QE 2.600 . 3.250 2.196 2.165 2.231 . 0 0 "[ . 1 . 2 .]" 3
142 1 124 MET HB3 1 141 PHE HZ 3.000 . 3.760 3.362 3.206 3.582 . 0 0 "[ . 1 . 2 .]" 3
143 1 124 MET QG 1 141 PHE QE 3.300 . 4.120 3.833 3.412 3.939 . 0 0 "[ . 1 . 2 .]" 3
144 1 125 ILE HA 1 141 PHE QE 2.200 . 2.760 3.015 2.946 3.071 0.311 24 0 "[ . 1 . 2 .]" 3
145 1 125 ILE HA 1 141 PHE HZ 2.200 . 2.760 2.218 2.163 2.259 . 0 0 "[ . 1 . 2 .]" 3
146 1 125 ILE HG13 1 141 PHE QE 2.900 . 3.630 3.448 3.358 3.526 . 0 0 "[ . 1 . 2 .]" 3
147 1 125 ILE HG13 1 141 PHE HZ 3.100 . 3.890 2.347 2.313 2.423 . 0 0 "[ . 1 . 2 .]" 3
148 1 89 PHE HZ 1 109 MET HA 4.000 2.400 5.010 4.642 4.541 4.800 . 0 0 "[ . 1 . 2 .]" 3
149 1 89 PHE QE 1 108 VAL HB 2.500 . 3.120 2.417 2.311 2.619 . 0 0 "[ . 1 . 2 .]" 3
150 1 89 PHE QE 1 109 MET QG 2.500 . 3.120 3.174 3.097 3.262 0.142 13 0 "[ . 1 . 2 .]" 3
151 1 89 PHE QE 1 109 MET HA 3.700 2.200 4.630 4.832 4.737 4.903 0.273 2 0 "[ . 1 . 2 .]" 3
152 1 89 PHE QE 1 138 TYR HA 3.800 2.300 4.760 4.591 4.341 4.850 0.090 13 0 "[ . 1 . 2 .]" 3
153 1 138 TYR HA 1 141 PHE QD 3.000 . 3.760 3.791 3.457 3.916 0.156 24 0 "[ . 1 . 2 .]" 3
154 1 88 ALA HA 1 92 PHE QD 3.300 . 4.120 4.139 4.011 4.223 0.103 15 0 "[ . 1 . 2 .]" 3
155 1 89 PHE QE 1 138 TYR QB 2.900 . 3.630 3.077 2.915 3.224 . 0 0 "[ . 1 . 2 .]" 3
156 1 89 PHE HZ 1 105 LEU HA 2.900 . 3.630 4.000 3.895 4.109 0.479 16 0 "[ . 1 . 2 .]" 3
157 1 89 PHE HZ 1 105 LEU QB 4.000 2.400 5.010 4.684 4.647 4.732 . 0 0 "[ . 1 . 2 .]" 3
158 1 89 PHE HZ 1 105 LEU HG 3.400 . 4.240 2.668 2.587 2.745 . 0 0 "[ . 1 . 2 .]" 3
159 1 89 PHE HZ 1 109 MET QG 2.600 . 3.250 2.351 2.237 2.497 . 0 0 "[ . 1 . 2 .]" 3
160 1 92 PHE QD 1 100 ILE HB 3.400 . 4.240 4.313 4.106 4.413 0.173 8 0 "[ . 1 . 2 .]" 3
161 1 92 PHE QD 1 108 VAL HA 2.700 . 3.380 3.736 3.664 3.787 0.407 14 0 "[ . 1 . 2 .]" 3
162 1 92 PHE QD 1 121 VAL HA 3.300 . 4.120 3.698 3.479 3.824 . 0 0 "[ . 1 . 2 .]" 3
163 1 85 ILE MD 1 89 PHE QD 3.800 2.300 4.760 4.733 4.710 4.763 0.003 4 0 "[ . 1 . 2 .]" 3
164 1 85 ILE MD 1 89 PHE QE 2.800 . 3.500 3.705 3.655 3.769 0.269 16 0 "[ . 1 . 2 .]" 3
165 1 85 ILE MG 1 89 PHE QD 2.200 . 2.760 2.040 2.016 2.102 . 0 0 "[ . 1 . 2 .]" 3
166 1 85 ILE MG 1 89 PHE QE 1.900 . 2.380 2.039 2.007 2.101 . 0 0 "[ . 1 . 2 .]" 3
167 1 88 ALA MB 1 89 PHE QD 3.100 . 3.890 3.942 3.903 3.979 0.089 22 0 "[ . 1 . 2 .]" 3
168 1 88 ALA MB 1 92 PHE QE 3.900 2.300 4.880 4.131 3.959 4.447 . 0 0 "[ . 1 . 2 .]" 3
169 1 89 PHE QD 1 100 ILE MD 2.000 . 2.510 2.061 1.996 2.119 . 0 0 "[ . 1 . 2 .]" 3
170 1 89 PHE QD 1 100 ILE MG 3.000 . 3.760 3.946 3.814 4.040 0.280 17 0 "[ . 1 . 2 .]" 3
171 1 89 PHE QD 1 108 VAL MG1 2.800 . 3.500 2.763 2.712 2.809 . 0 0 "[ . 1 . 2 .]" 3
172 1 89 PHE QD 1 108 VAL MG2 2.200 . 2.760 2.321 2.228 2.429 . 0 0 "[ . 1 . 2 .]" 3
173 1 89 PHE QD 1 142 VAL MG1 3.500 2.100 4.370 3.902 3.605 4.057 . 0 0 "[ . 1 . 2 .]" 3
174 1 89 PHE QD 1 142 VAL MG2 2.200 . 2.760 2.372 2.209 2.460 . 0 0 "[ . 1 . 2 .]" 3
175 1 89 PHE QE 1 100 ILE MD 2.500 . 3.120 2.547 2.293 2.759 . 0 0 "[ . 1 . 2 .]" 3
176 1 89 PHE QE 1 108 VAL MG1 2.700 . 3.380 2.931 2.748 3.040 . 0 0 "[ . 1 . 2 .]" 3
177 1 89 PHE QE 1 108 VAL MG2 2.800 . 3.500 2.624 2.392 2.947 . 0 0 "[ . 1 . 2 .]" 3
178 1 91 VAL QG 1 92 PHE QD 1.900 . 2.380 2.536 2.481 2.577 0.197 24 0 "[ . 1 . 2 .]" 3
179 1 91 VAL QG 1 92 PHE QE 2.900 . 3.630 2.881 2.715 3.031 . 0 0 "[ . 1 . 2 .]" 3
180 1 121 VAL MG1 1 141 PHE HZ 3.400 . 4.240 3.602 3.405 3.867 . 0 0 "[ . 1 . 2 .]" 3
181 1 125 ILE MG 1 141 PHE QE 3.400 . 4.240 4.156 4.073 4.242 0.002 25 0 "[ . 1 . 2 .]" 3
182 1 125 ILE MG 1 141 PHE HZ 3.400 . 4.240 3.914 3.815 4.002 . 0 0 "[ . 1 . 2 .]" 3
183 1 128 ALA MB 1 141 PHE QE 2.200 . 2.760 2.010 1.998 2.032 . 0 0 "[ . 1 . 2 .]" 3
184 1 128 ALA MB 1 141 PHE HZ 2.200 . 2.760 2.955 2.877 3.018 0.258 15 0 "[ . 1 . 2 .]" 3
185 1 130 ILE MD 1 141 PHE HZ 3.100 . 3.890 3.304 2.817 3.732 . 0 0 "[ . 1 . 2 .]" 3
186 1 130 ILE MG 1 141 PHE HZ 4.300 2.600 5.370 5.475 5.393 5.604 0.234 8 0 "[ . 1 . 2 .]" 3
187 1 109 MET ME 1 141 PHE QE 2.400 . 2.990 2.339 2.270 2.506 . 0 0 "[ . 1 . 2 .]" 3
188 1 128 ALA MB 1 141 PHE QD 2.600 . 3.250 2.983 2.842 3.059 . 0 0 "[ . 1 . 2 .]" 3
189 1 130 ILE MG 1 141 PHE QE 3.600 2.200 4.500 4.667 4.474 4.713 0.213 12 0 "[ . 1 . 2 .]" 3
190 1 92 PHE QD 1 100 ILE MD 2.500 . 3.120 3.317 3.233 3.478 0.358 17 0 "[ . 1 . 2 .]" 3
191 1 92 PHE QD 1 108 VAL MG1 2.900 . 3.630 3.214 2.924 3.596 . 0 0 "[ . 1 . 2 .]" 3
192 1 89 PHE QD 1 105 LEU QD 2.800 2.600 3.500 3.288 3.063 3.579 0.079 15 0 "[ . 1 . 2 .]" 3
193 1 89 PHE QE 1 105 LEU QD 2.400 . 2.990 2.267 2.186 2.492 . 0 0 "[ . 1 . 2 .]" 3
194 1 105 LEU QD 1 141 PHE QD 2.400 . 2.990 2.524 2.429 2.647 . 0 0 "[ . 1 . 2 .]" 3
195 1 105 LEU QD 1 141 PHE QE 2.600 . 3.250 2.879 2.661 3.087 . 0 0 "[ . 1 . 2 .]" 3
196 1 89 PHE HZ 1 105 LEU QD 2.500 . 3.120 2.860 2.604 3.063 . 0 0 "[ . 1 . 2 .]" 3
197 1 92 PHE QE 1 105 LEU QD 2.900 . 3.630 3.445 3.060 3.669 0.039 22 0 "[ . 1 . 2 .]" 3
198 1 88 ALA MB 1 92 PHE QD 2.800 . 3.500 3.630 3.594 3.673 0.173 12 0 "[ . 1 . 2 .]" 3
199 1 92 PHE QD 1 108 VAL MG2 1.600 . 1.990 2.288 2.153 2.377 0.387 4 0 "[ . 1 . 2 .]" 3
200 1 92 PHE QD 1 112 LEU QD 3.900 2.300 4.880 5.058 4.980 5.242 0.362 13 0 "[ . 1 . 2 .]" 3
201 1 92 PHE QD 1 121 VAL MG1 3.000 . 3.760 3.021 2.642 3.360 . 0 0 "[ . 1 . 2 .]" 3
202 1 89 PHE QE 1 145 MET ME 2.100 . 2.630 2.628 2.043 2.715 0.085 16 0 "[ . 1 . 2 .]" 3
203 1 92 PHE QD 1 100 ILE MG 2.600 . 3.250 3.697 3.598 3.808 0.558 19 4 "[ . 1 -* +2 * .]" 3
204 1 89 PHE QE 1 109 MET ME 2.100 . 2.630 2.281 2.084 2.477 . 0 0 "[ . 1 . 2 .]" 3
205 1 89 PHE HZ 1 112 LEU QD 3.600 2.200 4.500 4.344 4.158 4.540 0.040 24 0 "[ . 1 . 2 .]" 3
206 1 89 PHE HZ 1 108 VAL MG1 3.100 . 3.890 3.034 2.953 3.142 . 0 0 "[ . 1 . 2 .]" 3
207 1 89 PHE HZ 1 108 VAL MG2 2.600 . 3.250 2.987 2.862 3.192 . 0 0 "[ . 1 . 2 .]" 3
208 1 77 LYS H 1 78 ASP H 3.400 3.000 3.400 3.007 2.191 3.567 0.809 23 1 "[ . 1 . 2 + .]" 3
209 1 77 LYS H 1 77 LYS HA 2.900 . 2.900 2.852 2.290 2.993 0.093 15 0 "[ . 1 . 2 .]" 3
210 1 77 LYS H 1 77 LYS QB 2.700 . 2.700 2.466 2.061 3.051 0.351 23 0 "[ . 1 . 2 .]" 3
211 1 77 LYS H 1 77 LYS QG 3.100 2.800 3.100 3.139 2.734 3.595 0.495 10 0 "[ . 1 . 2 .]" 3
212 1 78 ASP H 1 79 THR H 3.400 3.000 3.400 2.912 2.826 3.199 0.174 20 0 "[ . 1 . 2 .]" 3
213 1 77 LYS HA 1 78 ASP H 3.000 . 3.000 3.396 3.317 3.582 0.582 23 1 "[ . 1 . 2 + .]" 3
214 1 78 ASP H 1 78 ASP HB3 3.100 . 3.100 2.704 2.352 2.872 . 0 0 "[ . 1 . 2 .]" 3
215 1 78 ASP H 1 78 ASP HB2 3.100 . 3.100 2.476 2.330 2.805 . 0 0 "[ . 1 . 2 .]" 3
216 1 77 LYS QB 1 78 ASP H 3.200 . 3.200 2.530 1.715 3.556 0.356 8 0 "[ . 1 . 2 .]" 3
217 1 77 LYS QG 1 78 ASP H 3.700 . 3.700 2.993 1.690 3.803 0.310 21 0 "[ . 1 . 2 .]" 3
218 1 79 THR H 1 80 ASP H 3.400 3.000 3.400 2.967 2.836 3.299 0.164 4 0 "[ . 1 . 2 .]" 3
219 1 78 ASP HA 1 79 THR H 2.900 . 2.900 3.378 3.293 3.469 0.569 16 12 "[ * . ** 1 **.+* *2-***.]" 3
220 1 79 THR H 1 79 THR HB 3.000 . 3.000 2.907 2.548 3.056 0.056 15 0 "[ . 1 . 2 .]" 3
221 1 79 THR H 1 79 THR MG 3.100 . 3.100 2.030 1.923 2.228 0.077 18 0 "[ . 1 . 2 .]" 3
222 1 78 ASP QB 1 79 THR H 3.200 . 3.200 2.761 1.935 3.253 0.065 21 0 "[ . 1 . 2 .]" 3
223 1 76 MET HA 1 79 THR H 3.700 3.000 3.700 3.986 3.349 4.404 0.704 25 8 "[ * . -* ** * 2* +]" 3
224 1 77 LYS HA 1 80 ASP H 4.500 3.000 4.500 4.329 3.871 4.651 0.151 20 0 "[ . 1 . 2 .]" 3
225 1 80 ASP H 1 80 ASP HA 2.900 2.400 2.900 2.787 2.758 2.823 . 0 0 "[ . 1 . 2 .]" 3
226 1 79 THR HA 1 80 ASP H 2.700 . 2.700 2.795 2.759 2.834 0.134 21 0 "[ . 1 . 2 .]" 3
227 1 80 ASP H 1 80 ASP QB 2.800 . 2.800 2.367 2.191 2.810 0.010 11 0 "[ . 1 . 2 .]" 3
228 1 79 THR MG 1 80 ASP H 3.500 . 3.500 3.642 3.561 3.696 0.196 25 0 "[ . 1 . 2 .]" 3
229 1 80 ASP HA 1 81 SER H 2.600 2.300 2.600 2.435 2.389 2.474 . 0 0 "[ . 1 . 2 .]" 3
230 1 81 SER H 1 81 SER HA 2.900 2.400 2.900 2.929 2.915 2.942 0.042 18 0 "[ . 1 . 2 .]" 3
231 1 81 SER H 1 81 SER QB 2.700 . 2.700 2.181 2.074 2.287 . 0 0 "[ . 1 . 2 .]" 3
232 1 80 ASP QB 1 81 SER H 3.100 . 3.100 2.758 2.208 3.143 0.043 21 0 "[ . 1 . 2 .]" 3
233 1 81 SER H 1 82 GLU QB 3.600 . 3.600 3.781 3.756 3.802 0.202 10 0 "[ . 1 . 2 .]" 3
234 1 82 GLU H 1 83 GLU H 3.200 2.800 3.200 2.708 2.653 2.767 0.147 11 0 "[ . 1 . 2 .]" 3
235 1 80 ASP HA 1 82 GLU H 3.700 3.300 3.700 3.833 3.792 3.884 0.184 20 0 "[ . 1 . 2 .]" 3
236 1 81 SER HA 1 82 GLU H 3.200 2.700 3.200 3.343 3.336 3.352 0.152 15 0 "[ . 1 . 2 .]" 3
237 1 81 SER QB 1 82 GLU H 3.100 . 3.100 2.992 2.892 3.120 0.020 16 0 "[ . 1 . 2 .]" 3
238 1 82 GLU H 1 82 GLU QB 2.800 . 2.800 2.071 2.014 2.127 . 0 0 "[ . 1 . 2 .]" 3
239 1 82 GLU H 1 82 GLU QG 3.200 . 3.200 2.951 2.709 3.217 0.017 13 0 "[ . 1 . 2 .]" 3
240 1 83 GLU H 1 84 GLU H 3.000 2.600 3.000 2.569 2.515 2.618 0.085 16 0 "[ . 1 . 2 .]" 3
241 1 83 GLU H 1 83 GLU HA 2.900 2.600 2.900 2.870 2.847 2.897 . 0 0 "[ . 1 . 2 .]" 3
242 1 82 GLU HA 1 83 GLU H 3.300 2.900 3.300 3.517 3.476 3.542 0.242 23 0 "[ . 1 . 2 .]" 3
243 1 83 GLU H 1 83 GLU QB 2.700 . 2.700 2.271 2.227 2.385 . 0 0 "[ . 1 . 2 .]" 3
244 1 83 GLU H 1 83 GLU QG 3.200 2.700 3.200 2.682 2.629 3.183 0.071 19 0 "[ . 1 . 2 .]" 3
245 1 81 SER HA 1 84 GLU H 3.600 3.300 3.600 3.299 3.237 3.386 0.063 25 0 "[ . 1 . 2 .]" 3
246 1 83 GLU HA 1 84 GLU H 3.300 3.000 3.300 3.428 3.417 3.460 0.160 25 0 "[ . 1 . 2 .]" 3
247 1 84 GLU H 1 84 GLU HA 2.900 2.600 2.900 2.921 2.901 2.935 0.035 16 0 "[ . 1 . 2 .]" 3
248 1 84 GLU H 1 84 GLU QG 3.000 . 3.000 2.476 2.160 2.718 . 0 0 "[ . 1 . 2 .]" 3
249 1 84 GLU H 1 84 GLU QB 2.800 . 2.800 2.364 2.257 2.537 . 0 0 "[ . 1 . 2 .]" 3
250 1 85 ILE H 1 86 ARG H 3.000 2.600 3.000 2.610 2.575 2.669 0.025 16 0 "[ . 1 . 2 .]" 3
251 1 84 GLU HA 1 85 ILE H 3.400 3.000 3.400 3.531 3.480 3.561 0.161 23 0 "[ . 1 . 2 .]" 3
252 1 82 GLU HA 1 85 ILE H 3.500 3.100 3.500 3.433 3.159 3.544 0.044 11 0 "[ . 1 . 2 .]" 3
253 1 85 ILE H 1 85 ILE HA 2.900 2.700 2.900 2.902 2.875 2.920 0.020 8 0 "[ . 1 . 2 .]" 3
254 1 84 GLU QB 1 85 ILE H 3.000 . 3.000 2.551 2.152 2.865 . 0 0 "[ . 1 . 2 .]" 3
255 1 85 ILE H 1 85 ILE HB 2.800 . 2.800 2.341 2.309 2.395 . 0 0 "[ . 1 . 2 .]" 3
256 1 85 ILE H 1 85 ILE HG13 3.000 2.700 3.000 2.663 2.636 2.696 0.064 20 0 "[ . 1 . 2 .]" 3
257 1 85 ILE H 1 85 ILE HG12 3.300 3.300 12.300 3.855 3.773 3.895 . 0 0 "[ . 1 . 2 .]" 3
258 1 85 ILE MG 1 86 ARG H 3.500 3.200 3.500 3.128 3.081 3.168 0.119 10 0 "[ . 1 . 2 .]" 3
259 1 87 GLU H 1 88 ALA H 3.000 2.600 3.000 2.656 2.567 2.802 0.033 9 0 "[ . 1 . 2 .]" 3
260 1 83 GLU HA 1 87 GLU H 3.800 3.500 3.800 3.748 3.488 4.038 0.238 20 0 "[ . 1 . 2 .]" 3
261 1 87 GLU H 1 87 GLU HA 2.900 2.600 2.900 2.864 2.809 2.898 . 0 0 "[ . 1 . 2 .]" 3
262 1 87 GLU H 1 87 GLU QG 3.000 . 3.000 2.521 2.124 2.841 . 0 0 "[ . 1 . 2 .]" 3
263 1 87 GLU H 1 87 GLU QB 2.900 . 2.900 2.359 2.248 2.660 . 0 0 "[ . 1 . 2 .]" 3
264 1 88 ALA H 1 88 ALA HA 3.000 2.700 3.000 2.941 2.933 2.947 . 0 0 "[ . 1 . 2 .]" 3
265 1 87 GLU HA 1 88 ALA H 3.300 3.300 12.300 3.488 3.447 3.530 . 0 0 "[ . 1 . 2 .]" 3
266 1 87 GLU QG 1 88 ALA H 3.300 3.300 12.300 4.300 2.993 4.531 0.307 20 0 "[ . 1 . 2 .]" 3
267 1 87 GLU QB 1 88 ALA H 3.700 3.200 3.700 3.099 3.001 3.769 0.199 15 0 "[ . 1 . 2 .]" 3
268 1 88 ALA H 1 88 ALA MB 2.800 . 2.800 2.241 2.216 2.267 . 0 0 "[ . 1 . 2 .]" 3
269 1 89 PHE H 1 90 ARG H 2.900 2.500 2.900 2.584 2.543 2.623 . 0 0 "[ . 1 . 2 .]" 3
270 1 89 PHE H 1 89 PHE QD 3.500 3.100 3.500 3.028 2.998 3.080 0.102 18 0 "[ . 1 . 2 .]" 3
271 1 86 ARG HA 1 89 PHE H 3.400 3.000 3.400 3.220 3.132 3.384 . 0 0 "[ . 1 . 2 .]" 3
272 1 89 PHE H 1 89 PHE HB2 2.700 . 2.700 2.265 2.220 2.301 . 0 0 "[ . 1 . 2 .]" 3
273 1 89 PHE H 1 89 PHE HB3 3.200 3.200 12.200 3.555 3.528 3.572 . 0 0 "[ . 1 . 2 .]" 3
274 1 88 ALA MB 1 89 PHE H 3.000 . 3.000 2.434 2.315 2.570 . 0 0 "[ . 1 . 2 .]" 3
275 1 90 ARG H 1 91 VAL H 2.900 2.500 2.900 2.582 2.485 2.788 0.015 2 0 "[ . 1 . 2 .]" 3
276 1 87 GLU HA 1 90 ARG H 3.100 . 3.100 3.213 3.167 3.256 0.156 24 0 "[ . 1 . 2 .]" 3
277 1 90 ARG H 1 90 ARG HA 3.000 . 3.000 2.887 2.832 2.910 . 0 0 "[ . 1 . 2 .]" 3
278 1 89 PHE HB2 1 90 ARG H 3.200 . 3.200 3.100 2.923 3.179 . 0 0 "[ . 1 . 2 .]" 3
279 1 89 PHE HA 1 90 ARG H 3.600 3.300 3.600 3.496 3.464 3.532 . 0 0 "[ . 1 . 2 .]" 3
280 1 90 ARG H 1 90 ARG QB 2.700 2.100 2.700 2.275 2.218 2.325 . 0 0 "[ . 1 . 2 .]" 3
281 1 91 VAL H 1 92 PHE H 3.100 2.700 3.100 2.622 2.596 2.657 0.104 8 0 "[ . 1 . 2 .]" 3
282 1 90 ARG HA 1 91 VAL H 3.500 3.100 3.500 3.547 3.538 3.554 0.054 19 0 "[ . 1 . 2 .]" 3
283 1 91 VAL H 1 91 VAL HA 3.000 2.700 3.000 2.835 2.824 2.844 . 0 0 "[ . 1 . 2 .]" 3
284 1 91 VAL H 1 91 VAL HB 2.800 2.200 2.800 2.265 2.227 2.301 . 0 0 "[ . 1 . 2 .]" 3
285 1 91 VAL H 1 91 VAL QG 2.700 2.700 2.700 2.581 2.552 2.601 0.148 13 0 "[ . 1 . 2 .]" 3
286 1 92 PHE H 1 93 ASP H 2.800 2.400 2.800 2.289 2.215 2.331 0.185 12 0 "[ . 1 . 2 .]" 3
287 1 91 VAL HA 1 92 PHE H 2.900 2.900 11.900 3.431 3.407 3.462 . 0 0 "[ . 1 . 2 .]" 3
288 1 92 PHE H 1 92 PHE HA 3.000 2.700 3.000 2.952 2.947 2.959 . 0 0 "[ . 1 . 2 .]" 3
289 1 91 VAL HB 1 92 PHE H 3.100 2.700 3.100 3.092 2.988 3.156 0.056 5 0 "[ . 1 . 2 .]" 3
290 1 91 VAL QG 1 92 PHE H . 3.100 11.900 3.220 3.164 3.271 . 0 0 "[ . 1 . 2 .]" 3
291 1 93 ASP H 1 94 LYS H 3.300 3.300 12.300 3.508 3.121 3.796 0.179 5 0 "[ . 1 . 2 .]" 3
292 1 93 ASP H 1 93 ASP HA 3.000 2.700 3.000 2.961 2.948 3.007 0.007 5 0 "[ . 1 . 2 .]" 3
293 1 92 PHE HA 1 93 ASP H 2.900 2.300 2.900 3.314 3.263 3.374 0.474 5 0 "[ . 1 . 2 .]" 3
294 1 90 ARG HA 1 93 ASP H 3.100 2.600 3.100 2.984 2.816 3.094 . 0 0 "[ . 1 . 2 .]" 3
295 1 93 ASP H 1 93 ASP HB3 2.700 2.200 2.700 2.514 2.420 2.801 0.101 17 0 "[ . 1 . 2 .]" 3
296 1 93 ASP H 1 93 ASP HB2 3.300 2.900 3.300 2.914 2.827 3.315 0.073 16 0 "[ . 1 . 2 .]" 3
297 1 93 ASP H 1 100 ILE MG 3.500 3.000 3.500 3.766 3.626 3.903 0.403 13 0 "[ . 1 . 2 .]" 3
298 1 94 LYS H 1 95 ASP H 3.100 2.700 3.100 2.757 2.531 3.240 0.169 5 0 "[ . 1 . 2 .]" 3
299 1 93 ASP HA 1 94 LYS H 2.500 . 2.500 2.528 2.401 2.675 0.175 5 0 "[ . 1 . 2 .]" 3
300 1 94 LYS H 1 94 LYS HA 3.000 2.500 3.000 2.840 2.804 2.915 . 0 0 "[ . 1 . 2 .]" 3
301 1 94 LYS H 1 94 LYS QB 2.600 . 2.600 2.412 2.254 2.501 . 0 0 "[ . 1 . 2 .]" 3
302 1 94 LYS H 1 94 LYS QG 3.000 2.100 3.000 2.240 2.082 3.003 0.018 25 0 "[ . 1 . 2 .]" 3
303 1 93 ASP HB3 1 94 LYS H 3.300 3.300 12.300 4.421 4.293 4.489 . 0 0 "[ . 1 . 2 .]" 3
304 1 93 ASP HB2 1 94 LYS H 3.300 3.300 12.300 4.657 4.619 4.727 . 0 0 "[ . 1 . 2 .]" 3
305 1 95 ASP H 1 96 GLY H 2.900 2.500 2.900 2.455 2.393 2.599 0.107 17 0 "[ . 1 . 2 .]" 3
306 1 95 ASP H 1 95 ASP HA 3.000 2.700 3.000 2.986 2.966 2.997 . 0 0 "[ . 1 . 2 .]" 3
307 1 94 LYS HA 1 95 ASP H 3.200 2.800 3.200 3.418 3.404 3.480 0.280 9 0 "[ . 1 . 2 .]" 3
308 1 95 ASP H 1 95 ASP QB 2.400 . 2.400 2.386 2.307 2.440 0.040 1 0 "[ . 1 . 2 .]" 3
309 1 94 LYS QB 1 95 ASP H 2.900 2.500 2.900 2.863 2.017 2.994 0.483 17 0 "[ . 1 . 2 .]" 3
310 1 94 LYS QG 1 95 ASP H 3.200 3.200 12.200 4.169 3.970 4.281 . 0 0 "[ . 1 . 2 .]" 3
311 1 96 GLY H 1 97 ASN H 3.100 2.700 3.100 2.929 2.775 3.368 0.268 5 0 "[ . 1 . 2 .]" 3
312 1 95 ASP HA 1 96 GLY H 3.300 2.900 3.300 3.215 2.994 3.328 0.028 5 0 "[ . 1 . 2 .]" 3
313 1 94 LYS HA 1 96 GLY H 3.900 3.500 3.900 3.796 3.623 4.282 0.382 17 0 "[ . 1 . 2 .]" 3
314 1 96 GLY H 1 96 GLY QA 2.400 . 2.400 2.250 2.231 2.484 0.084 5 0 "[ . 1 . 2 .]" 3
315 1 95 ASP QB 1 96 GLY H 3.400 3.000 3.400 3.496 3.427 3.664 0.264 12 0 "[ . 1 . 2 .]" 3
316 1 97 ASN H 1 98 GLY H 2.900 2.500 2.900 2.345 2.271 2.669 0.229 23 0 "[ . 1 . 2 .]" 3
317 1 97 ASN H 1 97 ASN HA 3.000 2.500 3.000 2.984 2.953 2.994 . 0 0 "[ . 1 . 2 .]" 3
318 1 96 GLY QA 1 97 ASN H 3.200 2.600 3.200 2.740 2.271 2.920 0.329 5 0 "[ . 1 . 2 .]" 3
319 1 97 ASN H 1 97 ASN HB3 2.900 2.400 2.900 2.648 2.457 2.950 0.050 25 0 "[ . 1 . 2 .]" 3
320 1 97 ASN H 1 97 ASN HB2 3.100 2.700 3.100 2.859 2.669 3.518 0.418 25 0 "[ . 1 . 2 .]" 3
321 1 98 GLY H 1 99 TYR H 2.900 2.100 2.900 2.339 1.985 2.857 0.115 6 0 "[ . 1 . 2 .]" 3
322 1 99 TYR H 1 100 ILE H 3.000 3.000 12.000 4.449 4.391 4.547 . 0 0 "[ . 1 . 2 .]" 3
323 1 99 TYR H 1 99 TYR QD 2.800 2.300 2.800 2.697 2.354 2.875 0.075 12 0 "[ . 1 . 2 .]" 3
324 1 99 TYR H 1 99 TYR HA 3.000 2.800 3.000 3.000 2.987 3.009 0.009 23 0 "[ . 1 . 2 .]" 3
325 1 98 GLY HA3 1 99 TYR H 3.200 2.700 3.200 3.288 3.178 3.442 0.242 5 0 "[ . 1 . 2 .]" 3
326 1 98 GLY HA2 1 99 TYR H 3.200 2.700 3.200 3.251 2.970 3.345 0.145 17 0 "[ . 1 . 2 .]" 3
327 1 99 TYR H 1 99 TYR QB 2.600 2.200 2.600 2.565 2.310 2.649 0.049 14 0 "[ . 1 . 2 .]" 3
328 1 100 ILE H 1 101 SER H 3.000 3.000 12.000 4.452 4.425 4.498 . 0 0 "[ . 1 . 2 .]" 3
329 1 100 ILE H 1 136 VAL H 3.100 2.800 3.100 3.137 2.883 3.247 0.147 13 0 "[ . 1 . 2 .]" 3
330 1 99 TYR HA 1 100 ILE H 2.400 2.100 2.400 2.263 2.206 2.503 0.103 17 0 "[ . 1 . 2 .]" 3
331 1 100 ILE H 1 100 ILE HA 3.100 2.700 3.100 2.979 2.972 2.994 . 0 0 "[ . 1 . 2 .]" 3
332 1 100 ILE H 1 100 ILE HB 2.900 2.900 11.900 3.909 3.767 3.966 . 0 0 "[ . 1 . 2 .]" 3
333 1 100 ILE H 1 100 ILE HG12 2.800 2.500 2.800 2.348 2.282 2.463 0.218 8 0 "[ . 1 . 2 .]" 3
334 1 100 ILE H 1 100 ILE MG 3.200 2.700 3.200 3.238 3.146 3.378 0.178 25 0 "[ . 1 . 2 .]" 3
335 1 101 SER H 1 102 ALA H 3.100 3.100 12.100 4.632 4.613 4.649 . 0 0 "[ . 1 . 2 .]" 3
336 1 100 ILE HA 1 101 SER H 2.800 2.500 2.800 2.495 2.421 2.603 0.079 9 0 "[ . 1 . 2 .]" 3
337 1 101 SER H 1 101 SER HA 3.100 2.800 3.100 2.924 2.910 2.938 . 0 0 "[ . 1 . 2 .]" 3
338 1 101 SER H 1 101 SER HB2 3.200 3.200 12.200 3.651 3.637 3.681 . 0 0 "[ . 1 . 2 .]" 3
339 1 101 SER H 1 101 SER HB3 3.100 2.700 3.100 2.650 2.612 2.689 0.088 3 0 "[ . 1 . 2 .]" 3
340 1 100 ILE HB 1 101 SER H 2.400 . 2.400 2.370 2.205 2.445 0.045 9 0 "[ . 1 . 2 .]" 3
341 1 101 SER H 1 104 GLU QB 3.400 2.800 3.400 2.965 2.714 3.709 0.309 12 0 "[ . 1 . 2 .]" 3
342 1 102 ALA H 1 103 ALA H 3.400 3.000 3.400 2.974 2.890 3.010 0.110 15 0 "[ . 1 . 2 .]" 3
343 1 101 SER HA 1 102 ALA H 2.500 2.100 2.500 2.231 2.208 2.251 . 0 0 "[ . 1 . 2 .]" 3
344 1 102 ALA H 1 102 ALA HA 3.000 2.700 3.000 2.751 2.730 2.798 . 0 0 "[ . 1 . 2 .]" 3
345 1 102 ALA H 1 135 GLN HA 3.300 2.900 3.300 3.220 2.941 3.336 0.036 3 0 "[ . 1 . 2 .]" 3
346 1 101 SER HB2 1 102 ALA H 3.200 2.800 3.200 3.064 2.913 3.111 . 0 0 "[ . 1 . 2 .]" 3
347 1 101 SER HB3 1 102 ALA H 3.300 3.300 12.300 4.155 4.063 4.197 . 0 0 "[ . 1 . 2 .]" 3
348 1 102 ALA H 1 102 ALA MB 2.600 . 2.600 2.187 2.142 2.222 . 0 0 "[ . 1 . 2 .]" 3
349 1 102 ALA H 1 136 VAL MG2 3.300 2.900 3.300 3.338 3.109 3.486 0.186 11 0 "[ . 1 . 2 .]" 3
350 1 103 ALA H 1 104 GLU H 3.000 2.600 3.000 2.819 2.695 3.013 0.013 12 0 "[ . 1 . 2 .]" 3
351 1 101 SER HA 1 103 ALA H 4.000 3.000 4.000 4.057 4.003 4.110 0.110 22 0 "[ . 1 . 2 .]" 3
352 1 101 SER HB2 1 103 ALA H 3.300 3.000 3.300 2.957 2.922 3.012 0.078 15 0 "[ . 1 . 2 .]" 3
353 1 103 ALA H 1 103 ALA HA 2.900 2.500 2.900 2.862 2.845 2.894 . 0 0 "[ . 1 . 2 .]" 3
354 1 102 ALA HA 1 103 ALA H 3.500 3.200 3.500 3.538 3.525 3.554 0.054 18 0 "[ . 1 . 2 .]" 3
355 1 104 GLU H 1 105 LEU H 3.200 2.700 3.200 2.710 2.651 2.839 0.049 23 0 "[ . 1 . 2 .]" 3
356 1 103 ALA HA 1 104 GLU H 3.400 2.900 3.400 3.539 3.526 3.550 0.150 16 0 "[ . 1 . 2 .]" 3
357 1 104 GLU H 1 104 GLU QB 2.700 . 2.700 2.217 2.138 2.302 . 0 0 "[ . 1 . 2 .]" 3
358 1 103 ALA MB 1 104 GLU H 2.800 . 2.800 2.140 1.983 2.331 0.017 17 0 "[ . 1 . 2 .]" 3
359 1 105 LEU H 1 106 ARG H 3.000 2.500 3.000 2.614 2.485 2.693 0.015 15 0 "[ . 1 . 2 .]" 3
360 1 102 ALA HA 1 105 LEU H 3.500 3.000 3.500 3.330 3.145 3.611 0.111 17 0 "[ . 1 . 2 .]" 3
361 1 104 GLU HA 1 105 LEU H 3.300 3.300 12.300 3.517 3.472 3.549 . 0 0 "[ . 1 . 2 .]" 3
362 1 105 LEU H 1 105 LEU QB . 2.400 2.800 2.255 2.222 2.282 0.178 12 0 "[ . 1 . 2 .]" 3
363 1 100 ILE MD 1 105 LEU H 3.900 3.300 3.900 3.397 3.256 3.799 0.044 19 0 "[ . 1 . 2 .]" 3
364 1 106 ARG H 1 107 HIS H 2.900 2.600 2.900 2.553 2.516 2.583 0.084 24 0 "[ . 1 . 2 .]" 3
365 1 103 ALA HA 1 106 ARG H 3.300 2.900 3.300 3.370 3.324 3.424 0.124 23 0 "[ . 1 . 2 .]" 3
366 1 105 LEU HA 1 106 ARG H 3.500 3.200 3.500 3.563 3.548 3.590 0.090 22 0 "[ . 1 . 2 .]" 3
367 1 106 ARG H 1 106 ARG HA 2.900 2.600 2.900 2.858 2.831 2.875 . 0 0 "[ . 1 . 2 .]" 3
368 1 106 ARG H 1 106 ARG QB 2.600 . 2.600 2.177 1.995 2.290 0.005 16 0 "[ . 1 . 2 .]" 3
369 1 106 ARG H 1 106 ARG QG 3.300 2.700 3.300 2.917 2.611 3.549 0.249 12 0 "[ . 1 . 2 .]" 3
370 1 107 HIS H 1 108 VAL H 2.900 2.600 2.900 2.631 2.543 2.778 0.057 17 0 "[ . 1 . 2 .]" 3
371 1 107 HIS H 1 107 HIS HA 3.000 2.700 3.000 2.873 2.839 2.892 . 0 0 "[ . 1 . 2 .]" 3
372 1 106 ARG HA 1 107 HIS H 3.600 3.100 3.600 3.498 3.449 3.524 . 0 0 "[ . 1 . 2 .]" 3
373 1 104 GLU HA 1 107 HIS H 3.600 3.100 3.600 3.374 3.237 3.512 . 0 0 "[ . 1 . 2 .]" 3
374 1 107 HIS H 1 107 HIS HB3 2.700 2.400 2.700 2.752 2.594 2.817 0.117 16 0 "[ . 1 . 2 .]" 3
375 1 107 HIS H 1 107 HIS HB2 2.500 2.100 2.500 2.312 2.204 2.484 . 0 0 "[ . 1 . 2 .]" 3
376 1 106 ARG QB 1 107 HIS H 2.900 2.300 2.900 2.831 2.558 3.093 0.193 16 0 "[ . 1 . 2 .]" 3
377 1 107 HIS HA 1 108 VAL H 3.600 3.300 3.600 3.573 3.530 3.591 . 0 0 "[ . 1 . 2 .]" 3
378 1 105 LEU HA 1 108 VAL H 3.600 3.300 3.600 3.210 3.117 3.276 0.183 15 0 "[ . 1 . 2 .]" 3
379 1 108 VAL H 1 108 VAL HA 2.900 2.600 2.900 2.839 2.805 2.883 . 0 0 "[ . 1 . 2 .]" 3
380 1 107 HIS HB3 1 108 VAL H 3.000 2.600 3.000 2.605 2.535 2.873 0.065 19 0 "[ . 1 . 2 .]" 3
381 1 108 VAL H 1 108 VAL HB 2.500 . 2.500 2.525 2.434 2.567 0.067 7 0 "[ . 1 . 2 .]" 3
382 1 108 VAL H 1 108 VAL MG1 3.500 3.500 12.500 3.799 3.791 3.813 . 0 0 "[ . 1 . 2 .]" 3
383 1 108 VAL H 1 108 VAL MG2 2.700 . 2.700 2.316 2.259 2.414 . 0 0 "[ . 1 . 2 .]" 3
384 1 109 MET H 1 110 THR H 3.100 2.700 3.100 2.646 2.609 2.677 0.091 18 0 "[ . 1 . 2 .]" 3
385 1 109 MET H 1 109 MET HA 2.900 2.600 2.900 2.884 2.865 2.903 0.003 18 0 "[ . 1 . 2 .]" 3
386 1 106 ARG HA 1 109 MET H 3.400 3.100 3.400 3.485 3.373 3.562 0.162 5 0 "[ . 1 . 2 .]" 3
387 1 108 VAL HA 1 109 MET H 3.700 3.300 3.700 3.564 3.542 3.579 . 0 0 "[ . 1 . 2 .]" 3
388 1 109 MET H 1 109 MET QG 2.800 . 2.800 2.046 1.962 2.177 0.038 12 0 "[ . 1 . 2 .]" 3
389 1 109 MET H 1 109 MET QB 2.900 2.100 2.900 2.522 2.470 2.584 . 0 0 "[ . 1 . 2 .]" 3
390 1 108 VAL HB 1 109 MET H 2.800 . 2.800 2.577 2.477 2.729 . 0 0 "[ . 1 . 2 .]" 3
391 1 108 VAL MG1 1 109 MET H 3.500 3.500 12.500 3.404 3.372 3.440 0.128 13 0 "[ . 1 . 2 .]" 3
392 1 110 THR H 1 111 ASN H 2.900 2.500 2.900 2.493 2.460 2.620 0.040 20 0 "[ . 1 . 2 .]" 3
393 1 110 THR H 1 110 THR HG1 3.200 2.500 3.200 2.811 2.499 2.995 0.001 3 0 "[ . 1 . 2 .]" 3
394 1 110 THR H 1 110 THR HA 3.000 2.600 3.000 2.920 2.877 2.925 . 0 0 "[ . 1 . 2 .]" 3
395 1 109 MET HA 1 110 THR H 3.600 3.200 3.600 3.563 3.537 3.600 . 23 0 "[ . 1 . 2 .]" 3
396 1 109 MET QB 1 110 THR H 3.300 3.000 3.300 2.871 2.812 2.924 0.188 23 0 "[ . 1 . 2 .]" 3
397 1 110 THR H 1 110 THR HB 3.000 2.600 3.000 3.164 3.100 3.204 0.204 15 0 "[ . 1 . 2 .]" 3
398 1 110 THR H 1 110 THR MG 3.300 2.900 3.300 3.435 3.390 3.513 0.213 23 0 "[ . 1 . 2 .]" 3
399 1 110 THR HB 1 111 ASN H 3.300 2.900 3.300 2.850 2.832 2.883 0.068 22 0 "[ . 1 . 2 .]" 3
400 1 110 THR HA 1 111 ASN H 3.200 3.200 12.200 3.583 3.573 3.595 . 0 0 "[ . 1 . 2 .]" 3
401 1 111 ASN H 1 111 ASN QB 2.700 2.200 2.700 2.294 2.244 2.411 . 0 0 "[ . 1 . 2 .]" 3
402 1 112 LEU H 1 113 GLY H 3.200 2.700 3.200 2.627 2.568 2.648 0.132 24 0 "[ . 1 . 2 .]" 3
403 1 111 ASN HA 1 112 LEU H 3.300 3.000 3.300 3.468 3.446 3.510 0.210 24 0 "[ . 1 . 2 .]" 3
404 1 112 LEU H 1 112 LEU HA 3.000 2.700 3.000 2.831 2.825 2.835 . 0 0 "[ . 1 . 2 .]" 3
405 1 112 LEU H 1 112 LEU HB2 2.800 2.300 2.800 2.236 2.220 2.255 0.080 23 0 "[ . 1 . 2 .]" 3
406 1 112 LEU H 1 112 LEU HG 2.800 2.300 2.800 2.838 2.799 2.888 0.088 9 0 "[ . 1 . 2 .]" 3
407 1 112 LEU H 1 112 LEU HB3 3.200 3.200 12.200 3.547 3.537 3.560 . 0 0 "[ . 1 . 2 .]" 3
408 1 112 LEU H 1 112 LEU QD 3.300 3.300 12.300 3.348 3.219 3.388 0.081 14 0 "[ . 1 . 2 .]" 3
409 1 110 THR HA 1 113 GLY H 3.700 3.200 3.700 3.666 3.392 3.750 0.050 22 0 "[ . 1 . 2 .]" 3
410 1 111 ASN HA 1 113 GLY H 3.800 3.400 3.800 3.786 3.746 3.877 0.077 24 0 "[ . 1 . 2 .]" 3
411 1 112 LEU HA 1 113 GLY H 3.000 2.600 3.000 3.389 3.343 3.405 0.405 20 0 "[ . 1 . 2 .]" 3
412 1 113 GLY H 1 113 GLY QA 2.600 . 2.600 2.290 2.222 2.315 . 0 0 "[ . 1 . 2 .]" 3
413 1 112 LEU HB2 1 113 GLY H 3.500 3.100 3.500 3.066 3.047 3.085 0.053 20 0 "[ . 1 . 2 .]" 3
414 1 112 LEU HB3 1 113 GLY H 3.400 3.000 3.400 3.556 3.524 3.625 0.225 14 0 "[ . 1 . 2 .]" 3
415 1 112 LEU QD 1 113 GLY H 3.200 3.200 12.200 4.249 4.230 4.277 . 0 0 "[ . 1 . 2 .]" 3
416 1 114 GLU H 1 114 GLU HA 2.900 2.600 2.900 2.914 2.906 2.950 0.050 21 0 "[ . 1 . 2 .]" 3
417 1 113 GLY QA 1 114 GLU H 2.800 2.100 2.800 2.785 2.475 2.851 0.051 12 0 "[ . 1 . 2 .]" 3
418 1 114 GLU H 1 114 GLU QG 3.000 2.500 3.000 2.604 2.464 3.358 0.358 21 0 "[ . 1 . 2 .]" 3
419 1 114 GLU H 1 114 GLU HB3 3.300 2.500 3.300 3.511 2.215 3.579 0.285 21 0 "[ . 1 . 2 .]" 3
420 1 114 GLU H 1 114 GLU HB2 3.300 2.500 3.300 2.373 2.225 3.414 0.275 1 0 "[ . 1 . 2 .]" 3
421 1 112 LEU HB3 1 114 GLU H 3.500 3.100 3.500 3.565 3.454 3.803 0.303 24 0 "[ . 1 . 2 .]" 3
422 1 115 LYS H 1 116 LEU H 3.100 2.600 3.100 3.089 2.508 3.246 0.146 21 0 "[ . 1 . 2 .]" 3
423 1 115 LYS H 1 115 LYS HA 2.900 2.600 2.900 2.920 2.911 2.930 0.030 24 0 "[ . 1 . 2 .]" 3
424 1 114 GLU HA 1 115 LYS H 2.800 2.500 2.800 2.447 2.329 3.330 0.530 14 2 "[ . 1 +. 2 -.]" 3
425 1 115 LYS H 1 115 LYS QB 2.800 . 2.800 2.316 2.240 2.832 0.032 24 0 "[ . 1 . 2 .]" 3
426 1 114 GLU QB 1 115 LYS H 3.500 3.100 3.500 2.995 2.893 3.069 0.207 23 0 "[ . 1 . 2 .]" 3
427 1 115 LYS H 1 115 LYS QG 3.100 2.700 3.100 2.753 2.602 3.248 0.148 14 0 "[ . 1 . 2 .]" 3
428 1 116 LEU H 1 117 THR H 3.400 3.400 12.400 4.568 4.348 4.624 . 0 0 "[ . 1 . 2 .]" 3
429 1 116 LEU H 1 116 LEU HA 3.100 2.800 3.100 2.956 2.923 2.992 . 0 0 "[ . 1 . 2 .]" 3
430 1 115 LYS HA 1 116 LEU H 2.600 2.100 2.600 2.748 2.686 2.808 0.208 17 0 "[ . 1 . 2 .]" 3
431 1 115 LYS QB 1 116 LEU H 3.500 3.100 3.500 3.778 3.755 3.823 0.323 14 0 "[ . 1 . 2 .]" 3
432 1 116 LEU H 1 116 LEU QB 2.900 2.500 2.900 2.429 2.286 2.724 0.214 25 0 "[ . 1 . 2 .]" 3
433 1 116 LEU H 1 116 LEU HG 3.000 2.500 3.000 2.694 2.483 3.039 0.039 21 0 "[ . 1 . 2 .]" 3
434 1 116 LEU H 1 116 LEU QD 3.500 3.000 3.500 3.304 3.156 3.561 0.061 24 0 "[ . 1 . 2 .]" 3
435 1 117 THR H 1 118 ASP H 3.300 3.300 12.300 4.592 4.507 4.648 . 0 0 "[ . 1 . 2 .]" 3
436 1 117 THR H 1 117 THR HG1 3.000 2.500 3.000 2.819 2.498 3.007 0.007 24 0 "[ . 1 . 2 .]" 3
437 1 116 LEU HA 1 117 THR H 2.500 . 2.500 2.206 2.146 2.240 . 0 0 "[ . 1 . 2 .]" 3
438 1 117 THR H 1 117 THR HA 3.100 2.800 3.100 2.964 2.924 2.999 . 0 0 "[ . 1 . 2 .]" 3
439 1 117 THR H 1 117 THR HB 3.300 2.900 12.300 3.675 3.631 3.742 . 0 0 "[ . 1 . 2 .]" 3
440 1 117 THR H 1 120 GLU HB2 2.900 2.600 2.900 2.736 2.497 2.936 0.103 21 0 "[ . 1 . 2 .]" 3
441 1 116 LEU QB 1 117 THR H 3.500 3.000 3.500 3.109 2.988 3.242 0.012 8 0 "[ . 1 . 2 .]" 3
442 1 117 THR H 1 117 THR MG 2.800 2.400 2.800 2.484 2.375 2.768 0.025 22 0 "[ . 1 . 2 .]" 3
443 1 118 ASP H 1 119 GLU H 3.300 2.800 3.300 2.783 2.748 2.839 0.052 14 0 "[ . 1 . 2 .]" 3
444 1 117 THR HB 1 118 ASP H 2.900 2.400 2.900 2.907 2.768 2.982 0.082 18 0 "[ . 1 . 2 .]" 3
445 1 118 ASP H 1 118 ASP HA 2.900 2.600 2.900 2.812 2.788 2.837 . 0 0 "[ . 1 . 2 .]" 3
446 1 117 THR HA 1 118 ASP H 2.600 2.200 2.600 2.289 2.257 2.350 . 0 0 "[ . 1 . 2 .]" 3
447 1 118 ASP H 1 118 ASP HB2 2.800 2.300 2.800 2.574 2.441 2.719 . 0 0 "[ . 1 . 2 .]" 3
448 1 119 GLU H 1 120 GLU H 2.900 2.600 2.900 2.674 2.583 2.821 0.017 23 0 "[ . 1 . 2 .]" 3
449 1 117 THR HB 1 119 GLU H 3.000 2.500 3.000 2.653 2.526 2.894 . 0 0 "[ . 1 . 2 .]" 3
450 1 118 ASP HA 1 119 GLU H 3.600 3.100 3.600 3.489 3.452 3.536 . 0 0 "[ . 1 . 2 .]" 3
451 1 119 GLU H 1 119 GLU HA 3.000 2.700 3.000 2.895 2.854 2.924 . 0 0 "[ . 1 . 2 .]" 3
452 1 118 ASP HB2 1 119 GLU H 3.100 2.800 3.100 2.987 2.796 3.118 0.018 7 0 "[ . 1 . 2 .]" 3
453 1 119 GLU H 1 119 GLU QG 3.300 2.800 3.300 2.999 2.714 3.456 0.156 7 0 "[ . 1 . 2 .]" 3
454 1 119 GLU H 1 119 GLU QB 2.800 2.400 2.800 2.354 2.152 2.458 0.248 7 0 "[ . 1 . 2 .]" 3
455 1 120 GLU H 1 121 VAL H 3.000 2.700 3.000 2.779 2.719 2.853 . 0 0 "[ . 1 . 2 .]" 3
456 1 117 THR HG1 1 120 GLU H 3.100 2.500 3.100 3.048 2.874 3.124 0.024 12 0 "[ . 1 . 2 .]" 3
457 1 120 GLU H 1 120 GLU HB2 2.800 2.300 2.800 2.381 2.354 2.403 . 0 0 "[ . 1 . 2 .]" 3
458 1 120 GLU H 1 120 GLU QG 3.000 2.400 3.000 2.393 2.363 2.461 0.037 20 0 "[ . 1 . 2 .]" 3
459 1 121 VAL H 1 122 ASP H 3.200 2.500 3.200 2.607 2.489 2.752 0.011 13 0 "[ . 1 . 2 .]" 3
460 1 118 ASP HA 1 121 VAL H 3.600 3.200 3.600 3.545 3.409 3.674 0.074 25 0 "[ . 1 . 2 .]" 3
461 1 120 GLU HA 1 121 VAL H 3.500 3.100 3.500 3.538 3.510 3.569 0.069 18 0 "[ . 1 . 2 .]" 3
462 1 121 VAL H 1 121 VAL HA 3.000 2.700 3.000 2.878 2.837 2.903 . 0 0 "[ . 1 . 2 .]" 3
463 1 120 GLU HB2 1 121 VAL H 3.100 2.700 3.100 2.758 2.652 2.897 0.048 19 0 "[ . 1 . 2 .]" 3
464 1 121 VAL H 1 121 VAL HB 2.600 2.100 2.600 2.378 2.220 2.551 . 0 0 "[ . 1 . 2 .]" 3
465 1 121 VAL H 1 121 VAL MG2 2.700 . 2.700 2.354 2.022 2.706 0.006 18 0 "[ . 1 . 2 .]" 3
466 1 122 ASP H 1 123 GLU H 3.100 2.700 3.100 2.775 2.684 2.899 0.016 6 0 "[ . 1 . 2 .]" 3
467 1 122 ASP H 1 122 ASP HA 2.900 2.500 2.900 2.820 2.786 2.851 . 0 0 "[ . 1 . 2 .]" 3
468 1 119 GLU HA 1 122 ASP H 3.400 3.100 3.400 3.271 3.090 3.436 0.036 19 0 "[ . 1 . 2 .]" 3
469 1 121 VAL HA 1 122 ASP H 3.400 3.100 3.400 3.528 3.510 3.543 0.143 7 0 "[ . 1 . 2 .]" 3
470 1 122 ASP H 1 122 ASP HB2 2.700 2.300 2.700 2.474 2.366 2.619 . 0 0 "[ . 1 . 2 .]" 3
471 1 121 VAL HB 1 122 ASP H 2.800 2.300 2.800 2.660 2.410 2.880 0.080 19 0 "[ . 1 . 2 .]" 3
472 1 121 VAL MG1 1 122 ASP H 3.300 2.600 3.300 3.250 2.993 3.357 0.057 2 0 "[ . 1 . 2 .]" 3
473 1 122 ASP HA 1 123 GLU H 3.600 3.300 3.600 3.537 3.517 3.577 . 0 0 "[ . 1 . 2 .]" 3
474 1 123 GLU H 1 123 GLU HA 2.900 2.700 2.900 2.909 2.887 2.922 0.022 21 0 "[ . 1 . 2 .]" 3
475 1 122 ASP HB2 1 123 GLU H 3.100 2.800 3.100 2.817 2.747 2.916 0.053 5 0 "[ . 1 . 2 .]" 3
476 1 123 GLU H 1 123 GLU QG 3.300 2.900 3.300 3.186 2.834 3.439 0.139 20 0 "[ . 1 . 2 .]" 3
477 1 123 GLU H 1 123 GLU QB 2.600 2.100 2.600 2.136 2.054 2.350 0.046 18 0 "[ . 1 . 2 .]" 3
478 1 124 MET H 1 125 ILE H 3.000 2.600 3.000 2.586 2.547 2.671 0.053 17 0 "[ . 1 . 2 .]" 3
479 1 124 MET H 1 124 MET HA 2.900 2.700 2.900 2.866 2.833 2.886 . 0 0 "[ . 1 . 2 .]" 3
480 1 121 VAL HA 1 124 MET H 3.400 3.100 3.400 3.079 2.959 3.241 0.141 10 0 "[ . 1 . 2 .]" 3
481 1 124 MET H 1 124 MET QG 2.700 2.200 2.700 2.184 2.127 2.719 0.073 13 0 "[ . 1 . 2 .]" 3
482 1 124 MET H 1 124 MET HB2 2.600 2.200 2.600 2.457 2.364 2.541 . 0 0 "[ . 1 . 2 .]" 3
483 1 123 GLU QB 1 124 MET H 3.000 2.700 3.000 2.858 2.645 3.045 0.055 1 0 "[ . 1 . 2 .]" 3
484 1 125 ILE H 1 126 ARG H 3.000 2.600 3.000 2.475 2.448 2.498 0.152 22 0 "[ . 1 . 2 .]" 3
485 1 122 ASP HA 1 125 ILE H 3.600 3.300 3.600 3.374 3.287 3.498 0.013 15 0 "[ . 1 . 2 .]" 3
486 1 124 MET HA 1 125 ILE H 3.600 3.300 3.600 3.486 3.453 3.509 . 0 0 "[ . 1 . 2 .]" 3
487 1 125 ILE H 1 125 ILE HA 3.000 2.800 3.000 2.929 2.916 2.938 . 0 0 "[ . 1 . 2 .]" 3
488 1 124 MET HB2 1 125 ILE H 3.300 2.900 3.300 2.911 2.869 3.105 0.031 4 0 "[ . 1 . 2 .]" 3
489 1 125 ILE H 1 125 ILE HB 2.600 2.200 2.600 2.305 2.270 2.349 . 0 0 "[ . 1 . 2 .]" 3
490 1 125 ILE H 1 125 ILE HG13 2.900 2.500 2.900 2.536 2.471 2.670 0.029 8 0 "[ . 1 . 2 .]" 3
491 1 125 ILE H 1 125 ILE MG 3.300 3.300 12.300 3.721 3.701 3.751 . 0 0 "[ . 1 . 2 .]" 3
492 1 125 ILE H 1 125 ILE MD 3.300 3.300 12.300 3.629 3.509 3.774 . 0 0 "[ . 1 . 2 .]" 3
493 1 126 ARG H 1 127 GLU H 3.300 2.600 3.300 2.902 2.608 3.028 . 0 0 "[ . 1 . 2 .]" 3
494 1 126 ARG H 1 126 ARG HA 2.900 2.700 2.900 2.844 2.809 2.906 0.006 8 0 "[ . 1 . 2 .]" 3
495 1 125 ILE HA 1 126 ARG H 3.500 3.200 3.500 3.520 3.502 3.546 0.046 16 0 "[ . 1 . 2 .]" 3
496 1 126 ARG H 1 126 ARG QB 2.700 2.200 2.700 2.234 2.114 2.287 0.086 8 0 "[ . 1 . 2 .]" 3
497 1 125 ILE HB 1 126 ARG H 2.900 2.100 2.900 2.968 2.934 3.005 0.105 25 0 "[ . 1 . 2 .]" 3
498 1 126 ARG H 1 126 ARG QG 3.300 2.700 3.300 2.708 2.608 3.381 0.092 25 0 "[ . 1 . 2 .]" 3
499 1 127 GLU H 1 128 ALA H 3.000 2.700 3.000 2.547 2.480 2.576 0.220 8 0 "[ . 1 . 2 .]" 3
500 1 126 ARG HA 1 127 GLU H 3.600 3.100 3.600 3.608 3.600 3.613 0.013 17 0 "[ . 1 . 2 .]" 3
501 1 128 ALA H 1 129 ASP H 3.300 3.000 3.300 3.715 3.651 3.868 0.568 11 2 "[ . 1+ . 2 -.]" 3
502 1 128 ALA H 1 128 ALA HA 3.000 2.800 3.000 2.941 2.929 2.947 . 0 0 "[ . 1 . 2 .]" 3
503 1 127 GLU HA 1 128 ALA H 3.500 3.100 3.500 3.459 3.416 3.478 . 0 0 "[ . 1 . 2 .]" 3
504 1 125 ILE HA 1 128 ALA H 3.600 3.300 3.600 3.325 3.257 3.432 0.043 16 0 "[ . 1 . 2 .]" 3
505 1 127 GLU HB3 1 128 ALA H 4.000 3.400 4.000 3.906 3.811 4.009 0.009 22 0 "[ . 1 . 2 .]" 3
506 1 127 GLU HB2 1 128 ALA H 4.000 3.400 4.000 3.295 3.262 3.346 0.138 13 0 "[ . 1 . 2 .]" 3
507 1 128 ALA H 1 128 ALA MB 2.800 . 2.800 2.263 2.242 2.294 . 0 0 "[ . 1 . 2 .]" 3
508 1 129 ASP H 1 130 ILE H 3.900 3.200 3.900 3.972 3.937 4.119 0.219 24 0 "[ . 1 . 2 .]" 3
509 1 128 ALA HA 1 129 ASP H 2.800 2.500 2.800 2.365 2.274 2.396 0.226 11 0 "[ . 1 . 2 .]" 3
510 1 129 ASP H 1 129 ASP HA 2.900 2.700 2.900 2.726 2.697 2.748 0.003 11 0 "[ . 1 . 2 .]" 3
511 1 129 ASP H 1 129 ASP HB3 3.400 2.800 3.400 3.158 2.708 3.597 0.197 10 0 "[ . 1 . 2 .]" 3
512 1 129 ASP H 1 129 ASP HB2 3.400 2.800 3.400 3.034 2.651 3.605 0.205 19 0 "[ . 1 . 2 .]" 3
513 1 128 ALA MB 1 129 ASP H 3.300 2.700 3.300 3.619 3.554 3.641 0.341 10 0 "[ . 1 . 2 .]" 3
514 1 130 ILE H 1 131 ASP H 3.400 2.800 3.400 2.760 2.575 4.105 0.705 24 2 "[ . 1- . 2 +.]" 3
515 1 129 ASP HA 1 130 ILE H 2.600 2.100 2.600 2.282 2.216 2.302 . 0 0 "[ . 1 . 2 .]" 3
516 1 130 ILE H 1 130 ILE HA 3.000 2.700 3.000 2.895 2.881 2.963 . 0 0 "[ . 1 . 2 .]" 3
517 1 130 ILE H 1 130 ILE HB 2.700 . 2.700 2.146 2.059 2.650 . 0 0 "[ . 1 . 2 .]" 3
518 1 130 ILE H 1 130 ILE HG13 3.200 2.900 3.200 3.027 2.699 3.257 0.201 8 0 "[ . 1 . 2 .]" 3
519 1 130 ILE H 1 130 ILE HG12 3.300 3.000 3.300 3.270 3.148 3.314 0.014 18 0 "[ . 1 . 2 .]" 3
520 1 130 ILE H 1 130 ILE MG 3.600 3.200 3.600 3.597 3.548 3.838 0.238 11 0 "[ . 1 . 2 .]" 3
521 1 130 ILE H 1 130 ILE MD 3.400 3.400 12.400 4.233 4.121 4.410 . 0 0 "[ . 1 . 2 .]" 3
522 1 131 ASP H 1 132 GLY H 3.700 3.300 3.700 4.149 4.061 4.179 0.479 20 0 "[ . 1 . 2 .]" 3
523 1 131 ASP H 1 131 ASP HA 3.000 2.800 3.000 2.954 2.893 2.968 . 0 0 "[ . 1 . 2 .]" 3
524 1 130 ILE HA 1 131 ASP H 2.600 2.100 2.600 3.003 2.049 3.156 0.556 18 22 "[******* -* ******+***** *]" 3
525 1 131 ASP H 1 131 ASP HB3 3.300 2.900 3.300 2.766 2.687 3.022 0.213 11 0 "[ . 1 . 2 .]" 3
526 1 131 ASP H 1 131 ASP HB2 3.300 2.900 3.300 2.879 2.836 3.210 0.064 5 0 "[ . 1 . 2 .]" 3
527 1 130 ILE HB 1 131 ASP H 3.300 2.900 3.300 3.553 3.461 4.162 0.862 8 3 "[ . + 1- . 2 *.]" 3
528 1 130 ILE MG 1 131 ASP H 3.200 2.800 3.200 3.549 2.554 3.675 0.475 5 0 "[ . 1 . 2 .]" 3
529 1 132 GLY H 1 133 ASP H 3.300 . 3.300 2.979 2.058 3.340 0.040 8 0 "[ . 1 . 2 .]" 3
530 1 131 ASP HA 1 132 GLY H 2.900 2.200 2.900 2.853 2.796 2.995 0.095 11 0 "[ . 1 . 2 .]" 3
531 1 131 ASP HB3 1 132 GLY H 3.000 2.600 3.000 2.485 2.378 2.549 0.222 11 0 "[ . 1 . 2 .]" 3
532 1 133 ASP H 1 134 GLY H 2.800 2.200 2.800 2.833 2.791 2.865 0.065 17 0 "[ . 1 . 2 .]" 3
533 1 132 GLY QA 1 133 ASP H 3.200 2.800 3.200 2.845 2.714 2.934 0.086 8 0 "[ . 1 . 2 .]" 3
534 1 133 ASP H 1 133 ASP QB 2.700 . 2.700 2.590 2.493 2.698 . 0 0 "[ . 1 . 2 .]" 3
535 1 131 ASP H 1 133 ASP H 4.000 3.200 4.000 4.214 3.998 4.265 0.265 16 0 "[ . 1 . 2 .]" 3
536 1 133 ASP HA 1 134 GLY H 3.500 2.800 3.500 3.470 2.765 3.544 0.044 3 0 "[ . 1 . 2 .]" 3
537 1 134 GLY H 1 134 GLY HA3 3.000 2.600 3.000 2.935 2.696 2.971 . 0 0 "[ . 1 . 2 .]" 3
538 1 134 GLY H 1 134 GLY HA2 3.000 2.600 3.000 2.722 2.667 2.957 . 0 0 "[ . 1 . 2 .]" 3
539 1 135 GLN H 1 136 VAL H 3.200 3.200 12.200 4.514 4.442 4.599 . 0 0 "[ . 1 . 2 .]" 3
540 1 134 GLY HA2 1 135 GLN H 3.400 3.000 3.400 3.419 2.621 3.560 0.379 24 0 "[ . 1 . 2 .]" 3
541 1 134 GLY HA3 1 135 GLN H 3.400 3.000 3.400 2.950 2.810 3.229 0.190 11 0 "[ . 1 . 2 .]" 3
542 1 135 GLN H 1 135 GLN QB 2.700 2.200 2.700 2.711 2.543 2.853 0.153 3 0 "[ . 1 . 2 .]" 3
543 1 135 GLN H 1 135 GLN HG3 3.300 2.700 3.300 2.735 2.635 3.356 0.065 23 0 "[ . 1 . 2 .]" 3
544 1 135 GLN H 1 135 GLN HG2 3.300 2.700 3.300 3.276 2.540 3.554 0.254 5 0 "[ . 1 . 2 .]" 3
545 1 136 VAL H 1 137 ASN H 3.200 3.200 12.200 4.411 4.381 4.500 . 0 0 "[ . 1 . 2 .]" 3
546 1 135 GLN HA 1 136 VAL H 2.500 2.100 2.500 2.376 2.249 2.504 0.004 18 0 "[ . 1 . 2 .]" 3
547 1 136 VAL H 1 136 VAL HB 2.800 2.300 2.800 2.974 2.894 2.996 0.196 5 0 "[ . 1 . 2 .]" 3
548 1 136 VAL H 1 136 VAL QG 2.800 2.300 2.800 2.430 2.283 2.549 0.017 8 0 "[ . 1 . 2 .]" 3
549 1 137 ASN H 1 138 TYR H 3.400 3.400 12.400 4.403 3.899 4.589 . 0 0 "[ . 1 . 2 .]" 3
550 1 136 VAL HA 1 137 ASN H 2.500 2.100 2.500 2.305 2.282 2.329 . 0 0 "[ . 1 . 2 .]" 3
551 1 137 ASN H 1 137 ASN HB3 2.800 2.300 2.800 2.577 2.212 2.915 0.115 9 0 "[ . 1 . 2 .]" 3
552 1 137 ASN H 1 137 ASN HB2 3.100 2.700 3.100 3.171 2.631 3.507 0.407 3 0 "[ . 1 . 2 .]" 3
553 1 136 VAL HB 1 137 ASN H 3.400 2.800 3.400 3.601 3.570 3.654 0.254 19 0 "[ . 1 . 2 .]" 3
554 1 136 VAL QG 1 137 ASN H 3.100 2.600 3.100 2.424 2.381 2.448 0.219 18 0 "[ . 1 . 2 .]" 3
555 1 138 TYR H 1 139 GLU H 3.100 2.600 3.100 2.579 2.291 3.124 0.309 25 0 "[ . 1 . 2 .]" 3
556 1 138 TYR H 1 138 TYR QD 3.100 2.600 3.100 2.389 2.213 2.510 0.387 15 0 "[ . 1 . 2 .]" 3
557 1 137 ASN HA 1 138 TYR H 2.600 2.100 2.600 2.411 2.159 2.604 0.004 2 0 "[ . 1 . 2 .]" 3
558 1 139 GLU H 1 140 GLU H 3.100 2.600 3.100 3.046 2.824 3.140 0.040 7 0 "[ . 1 . 2 .]" 3
559 1 139 GLU H 1 139 GLU QB 2.700 2.200 2.700 2.217 2.118 2.449 0.082 19 0 "[ . 1 . 2 .]" 3
560 1 139 GLU H 1 139 GLU QG 3.600 3.100 3.600 3.346 2.975 3.886 0.286 23 0 "[ . 1 . 2 .]" 3
561 1 138 TYR HA 1 139 GLU H 2.800 2.800 3.800 3.547 3.478 3.600 . 0 0 "[ . 1 . 2 .]" 3
562 1 140 GLU H 1 141 PHE H 3.100 2.600 3.100 2.585 2.528 2.723 0.072 17 0 "[ . 1 . 2 .]" 3
563 1 139 GLU HA 1 140 GLU H 3.600 3.100 3.600 3.574 3.553 3.605 0.005 4 0 "[ . 1 . 2 .]" 3
564 1 140 GLU H 1 140 GLU QB 3.000 2.200 3.000 2.366 2.259 2.619 . 0 0 "[ . 1 . 2 .]" 3
565 1 139 GLU QB 1 140 GLU H 3.300 2.700 3.300 2.831 2.634 3.394 0.094 6 0 "[ . 1 . 2 .]" 3
566 1 141 PHE H 1 142 VAL H 3.100 2.600 3.100 2.605 2.548 2.709 0.052 13 0 "[ . 1 . 2 .]" 3
567 1 141 PHE H 1 141 PHE QD 3.400 2.900 3.400 3.435 3.328 3.494 0.094 3 0 "[ . 1 . 2 .]" 3
568 1 140 GLU HA 1 141 PHE H 3.600 3.200 3.600 3.548 3.530 3.561 . 0 0 "[ . 1 . 2 .]" 3
569 1 141 PHE H 1 141 PHE QB 2.800 2.200 2.800 2.096 2.070 2.118 0.130 22 0 "[ . 1 . 2 .]" 3
570 1 142 VAL H 1 143 GLN H 2.900 2.600 2.900 2.679 2.575 2.854 0.025 20 0 "[ . 1 . 2 .]" 3
571 1 139 GLU HA 1 142 VAL H 3.400 3.000 3.400 3.467 3.420 3.535 0.135 4 0 "[ . 1 . 2 .]" 3
572 1 141 PHE QB 1 142 VAL H 3.100 2.600 3.100 3.053 2.768 3.154 0.054 9 0 "[ . 1 . 2 .]" 3
573 1 141 PHE HA 1 142 VAL H 3.500 3.000 3.500 3.498 3.463 3.554 0.054 8 0 "[ . 1 . 2 .]" 3
574 1 142 VAL H 1 142 VAL HB 2.600 2.200 2.600 2.480 2.355 2.609 0.009 8 0 "[ . 1 . 2 .]" 3
575 1 142 VAL H 1 142 VAL MG2 2.700 2.200 2.700 2.361 2.184 2.456 0.016 3 0 "[ . 1 . 2 .]" 3
576 1 142 VAL H 1 142 VAL MG1 3.200 3.200 12.200 3.775 3.744 3.795 . 0 0 "[ . 1 . 2 .]" 3
577 1 142 VAL HA 1 143 GLN H 3.600 3.300 3.600 3.573 3.551 3.590 . 0 0 "[ . 1 . 2 .]" 3
578 1 143 GLN H 1 143 GLN QG 2.700 2.100 2.700 2.234 2.065 2.530 0.035 24 0 "[ . 1 . 2 .]" 3
579 1 142 VAL HB 1 143 GLN H 2.800 2.200 2.800 2.439 2.229 2.741 . 0 0 "[ . 1 . 2 .]" 3
580 1 142 VAL MG1 1 143 GLN H 3.800 3.200 3.800 3.238 3.168 3.374 0.032 16 0 "[ . 1 . 2 .]" 3
581 1 144 MET H 1 145 MET H 2.900 2.600 2.900 2.606 2.552 2.689 0.048 13 0 "[ . 1 . 2 .]" 3
582 1 141 PHE HA 1 144 MET H 3.700 3.300 3.700 3.316 3.199 3.487 0.101 18 0 "[ . 1 . 2 .]" 3
583 1 143 GLN HA 1 144 MET H 3.500 3.100 3.500 3.495 3.453 3.538 0.038 20 0 "[ . 1 . 2 .]" 3
584 1 144 MET H 1 144 MET QG 3.200 2.800 3.200 2.764 2.743 2.806 0.057 3 0 "[ . 1 . 2 .]" 3
585 1 144 MET H 1 144 MET QB 2.700 2.100 2.700 2.244 2.219 2.273 . 0 0 "[ . 1 . 2 .]" 3
586 1 145 MET H 1 146 THR H 2.900 2.600 2.900 2.607 2.540 2.643 0.060 3 0 "[ . 1 . 2 .]" 3
587 1 144 MET HA 1 145 MET H 3.500 3.100 3.500 3.553 3.512 3.567 0.067 8 0 "[ . 1 . 2 .]" 3
588 1 142 VAL HA 1 145 MET H 3.700 3.300 3.700 3.644 3.393 3.742 0.042 23 0 "[ . 1 . 2 .]" 3
589 1 145 MET H 1 145 MET HG3 2.900 2.800 2.900 2.824 2.593 2.942 0.207 3 0 "[ . 1 . 2 .]" 3
590 1 145 MET H 1 145 MET HG2 2.900 2.800 2.900 2.880 2.769 3.042 0.142 3 0 "[ . 1 . 2 .]" 3
591 1 145 MET H 1 145 MET QB 2.900 2.200 2.900 2.407 2.359 2.446 . 0 0 "[ . 1 . 2 .]" 3
592 1 144 MET QB 1 145 MET H 3.100 2.700 3.100 2.696 2.653 2.781 0.047 8 0 "[ . 1 . 2 .]" 3
593 1 146 THR H 1 147 ALA H 3.200 2.700 3.200 2.715 2.586 2.884 0.114 3 0 "[ . 1 . 2 .]" 3
594 1 146 THR H 1 146 THR HG1 3.000 2.500 3.000 2.742 2.521 3.000 . 0 0 "[ . 1 . 2 .]" 3
595 1 146 THR H 1 146 THR HB 3.000 2.600 3.000 3.307 3.232 3.443 0.443 17 0 "[ . 1 . 2 .]" 3
596 1 143 GLN HA 1 146 THR H 3.700 3.200 3.700 3.480 3.288 3.610 . 0 0 "[ . 1 . 2 .]" 3
597 1 145 MET QB 1 146 THR H 3.400 3.000 3.400 2.966 2.887 3.017 0.113 14 0 "[ . 1 . 2 .]" 3
598 1 146 THR H 1 146 THR MG 3.100 2.700 3.100 3.071 2.607 3.238 0.138 13 0 "[ . 1 . 2 .]" 3
599 1 147 ALA H 1 148 LYS H 3.500 2.500 3.500 3.554 2.571 3.759 0.259 23 0 "[ . 1 . 2 .]" 3
600 1 146 THR HA 1 147 ALA H 3.200 2.900 3.200 3.392 2.984 3.522 0.322 23 0 "[ . 1 . 2 .]" 3
601 1 144 MET HA 1 147 ALA H 3.900 3.400 3.900 3.887 3.712 3.975 0.075 6 0 "[ . 1 . 2 .]" 3
602 1 146 THR MG 1 147 ALA H 3.900 3.300 3.900 3.953 3.663 4.320 0.420 14 0 "[ . 1 . 2 .]" 3
603 1 147 ALA HA 1 148 LYS H 2.600 2.100 2.600 2.247 2.084 3.068 0.468 9 0 "[ . 1 . 2 .]" 3
604 1 148 LYS H 1 148 LYS HB2 2.800 2.400 2.800 2.658 2.381 2.862 0.062 13 0 "[ . 1 . 2 .]" 3
605 1 147 ALA MB 1 148 LYS H 3.000 2.500 3.000 3.257 3.203 3.388 0.388 4 0 "[ . 1 . 2 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 181
_Distance_constraint_stats_list.Viol_count 848
_Distance_constraint_stats_list.Viol_total 1830.160
_Distance_constraint_stats_list.Viol_max 0.760
_Distance_constraint_stats_list.Viol_rms 0.0538
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0162
_Distance_constraint_stats_list.Viol_average_violations_only 0.0863
_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 77 LYS 0.663 0.184 8 0 "[ . 1 . 2 .]"
1 78 ASP 0.361 0.062 16 0 "[ . 1 . 2 .]"
1 79 THR 1.548 0.082 22 0 "[ . 1 . 2 .]"
1 80 ASP 4.172 0.184 8 0 "[ . 1 . 2 .]"
1 81 SER 3.942 0.165 20 0 "[ . 1 . 2 .]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 83 GLU 1.186 0.082 22 0 "[ . 1 . 2 .]"
1 84 GLU 0.433 0.061 10 0 "[ . 1 . 2 .]"
1 85 ILE 1.106 0.067 14 0 "[ . 1 . 2 .]"
1 86 ARG 0.105 0.045 2 0 "[ . 1 . 2 .]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 89 PHE 0.719 0.084 19 0 "[ . 1 . 2 .]"
1 90 ARG 0.047 0.047 10 0 "[ . 1 . 2 .]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 92 PHE 8.267 0.430 1 0 "[ . 1 . 2 .]"
1 93 ASP 0.538 0.123 16 0 "[ . 1 . 2 .]"
1 98 GLY 0.439 0.098 15 0 "[ . 1 . 2 .]"
1 99 TYR 0.611 0.179 13 0 "[ . 1 . 2 .]"
1 100 ILE 20.564 0.430 1 0 "[ . 1 . 2 .]"
1 101 SER 0.926 0.085 22 0 "[ . 1 . 2 .]"
1 102 ALA 5.721 0.220 23 0 "[ . 1 . 2 .]"
1 103 ALA 0.165 0.074 5 0 "[ . 1 . 2 .]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 105 LEU 6.303 0.220 23 0 "[ . 1 . 2 .]"
1 106 ARG 2.118 0.129 17 0 "[ . 1 . 2 .]"
1 107 HIS 0.866 0.078 18 0 "[ . 1 . 2 .]"
1 108 VAL 6.507 0.264 3 0 "[ . 1 . 2 .]"
1 109 MET 1.435 0.079 15 0 "[ . 1 . 2 .]"
1 110 THR 1.473 0.081 20 0 "[ . 1 . 2 .]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 112 LEU 1.955 0.150 15 0 "[ . 1 . 2 .]"
1 114 GLU 0.232 0.232 21 0 "[ . 1 . 2 .]"
1 115 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 116 LEU 8.855 0.760 20 8 "[* . * . **+- * *]"
1 117 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 118 ASP 1.118 0.081 20 0 "[ . 1 . 2 .]"
1 119 GLU 0.221 0.221 7 0 "[ . 1 . 2 .]"
1 120 GLU 0.175 0.081 21 0 "[ . 1 . 2 .]"
1 121 VAL 2.088 0.127 1 0 "[ . 1 . 2 .]"
1 122 ASP 0.652 0.077 21 0 "[ . 1 . 2 .]"
1 123 GLU 0.717 0.088 18 0 "[ . 1 . 2 .]"
1 124 MET 1.431 0.098 1 0 "[ . 1 . 2 .]"
1 125 ILE 3.513 0.129 17 0 "[ . 1 . 2 .]"
1 126 ARG 0.297 0.264 16 0 "[ . 1 . 2 .]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 128 ALA 7.934 0.244 6 0 "[ . 1 . 2 .]"
1 130 ILE 4.857 0.139 4 0 "[ . 1 . 2 .]"
1 131 ASP 1.821 0.083 3 0 "[ . 1 . 2 .]"
1 132 GLY 1.821 0.083 3 0 "[ . 1 . 2 .]"
1 134 GLY 0.328 0.134 24 0 "[ . 1 . 2 .]"
1 135 GLN 0.926 0.085 22 0 "[ . 1 . 2 .]"
1 136 VAL 5.313 0.244 6 0 "[ . 1 . 2 .]"
1 137 ASN 4.673 0.447 23 0 "[ . 1 . 2 .]"
1 138 TYR 8.357 0.447 23 0 "[ . 1 . 2 .]"
1 139 GLU 0.140 0.026 4 0 "[ . 1 . 2 .]"
1 140 GLU 0.030 0.018 23 0 "[ . 1 . 2 .]"
1 141 PHE 0.087 0.023 4 0 "[ . 1 . 2 .]"
1 142 VAL 2.660 0.187 4 0 "[ . 1 . 2 .]"
1 143 GLN 0.532 0.110 3 0 "[ . 1 . 2 .]"
1 144 MET 0.087 0.023 4 0 "[ . 1 . 2 .]"
1 145 MET 0.032 0.019 21 0 "[ . 1 . 2 .]"
1 146 THR 1.092 0.110 3 0 "[ . 1 . 2 .]"
1 147 ALA 0.276 0.054 6 0 "[ . 1 . 2 .]"
1 148 LYS 0.276 0.054 6 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 77 LYS HA 1 80 ASP QB 3.700 2.500 4.480 4.162 2.851 4.664 0.184 8 0 "[ . 1 . 2 .]" 4
2 1 77 LYS QG 1 80 ASP HA 5.000 3.300 6.040 5.795 5.085 6.106 0.066 6 0 "[ . 1 . 2 .]" 4
3 1 78 ASP QB 1 79 THR HA 3.800 2.500 4.600 4.406 4.076 4.607 0.007 6 0 "[ . 1 . 2 .]" 4
4 1 78 ASP QB 1 79 THR HB 4.700 3.100 5.680 3.902 3.509 4.105 . 0 0 "[ . 1 . 2 .]" 4
5 1 79 THR HA 1 83 GLU QB 2.900 . 3.620 3.665 3.567 3.702 0.082 22 0 "[ . 1 . 2 .]" 4
6 1 80 ASP HA 1 81 SER QB 3.200 . 4.000 4.140 4.115 4.165 0.165 20 0 "[ . 1 . 2 .]" 4
7 1 81 SER HA 1 84 GLU HB2 2.700 . 3.380 2.904 2.349 3.428 0.048 19 0 "[ . 1 . 2 .]" 4
8 1 81 SER QB 1 84 GLU HB2 3.400 . 4.260 4.251 4.102 4.321 0.061 10 0 "[ . 1 . 2 .]" 4
9 1 82 GLU HA 1 85 ILE HB 3.000 . 3.740 3.064 2.739 3.395 . 0 0 "[ . 1 . 2 .]" 4
10 1 85 ILE HA 1 85 ILE HG12 3.000 . 3.760 2.416 2.324 2.463 . 0 0 "[ . 1 . 2 .]" 4
11 1 87 GLU HA 1 90 ARG QD 2.600 . 3.260 3.002 2.332 3.244 . 0 0 "[ . 1 . 2 .]" 4
12 1 88 ALA HA 1 91 VAL HB 3.500 2.100 4.380 2.685 2.462 2.949 . 0 0 "[ . 1 . 2 .]" 4
13 1 90 ARG HA 1 90 ARG QD 3.300 . 4.120 4.017 3.869 4.167 0.047 10 0 "[ . 1 . 2 .]" 4
14 1 90 ARG HA 1 90 ARG QG 2.600 . 3.260 2.300 2.223 2.422 . 0 0 "[ . 1 . 2 .]" 4
15 1 90 ARG HA 1 93 ASP HB3 3.300 . 4.120 2.655 2.321 3.061 . 0 0 "[ . 1 . 2 .]" 4
16 1 98 GLY QA 1 99 TYR QE 3.900 2.300 4.880 3.864 3.380 4.627 . 0 0 "[ . 1 . 2 .]" 4
17 1 98 GLY QA 1 138 TYR QE 3.800 2.300 4.760 2.836 2.202 4.440 0.098 15 0 "[ . 1 . 2 .]" 4
18 1 99 TYR HA 1 137 ASN HA 3.400 2.100 4.240 2.583 2.317 3.151 . 0 0 "[ . 1 . 2 .]" 4
19 1 99 TYR HA 1 138 TYR QD 4.000 2.400 5.000 3.872 3.508 4.141 . 0 0 "[ . 1 . 2 .]" 4
20 1 99 TYR HA 1 138 TYR QE 3.600 2.200 4.500 3.730 3.208 4.679 0.179 13 0 "[ . 1 . 2 .]" 4
21 1 99 TYR HA 1 99 TYR QD 3.400 . 4.260 3.036 2.846 3.118 . 0 0 "[ . 1 . 2 .]" 4
22 1 99 TYR QB 1 99 TYR QD 2.800 . 3.500 2.154 2.143 2.163 . 0 0 "[ . 1 . 2 .]" 4
23 1 100 ILE HA 1 100 ILE HG13 3.800 2.300 4.760 3.771 3.730 3.799 . 0 0 "[ . 1 . 2 .]" 4
24 1 101 SER HA 1 135 GLN HA 2.300 . 2.880 2.494 2.335 2.616 . 0 0 "[ . 1 . 2 .]" 4
25 1 101 SER HB3 1 135 GLN HA 3.700 2.200 4.620 4.616 4.390 4.705 0.085 22 0 "[ . 1 . 2 .]" 4
26 1 101 SER HB2 1 135 GLN HA 3.700 2.200 4.620 4.605 4.414 4.701 0.081 16 0 "[ . 1 . 2 .]" 4
27 1 102 ALA HA 1 105 LEU QB 2.900 . 3.620 2.197 2.158 2.232 . 0 0 "[ . 1 . 2 .]" 4
28 1 102 ALA HA 1 105 LEU HG 3.800 2.300 4.760 4.911 4.857 4.980 0.220 23 0 "[ . 1 . 2 .]" 4
29 1 103 ALA HA 1 106 ARG QB 2.600 . 3.260 2.718 2.375 2.920 . 0 0 "[ . 1 . 2 .]" 4
30 1 103 ALA HA 1 106 ARG QD 3.400 2.100 4.240 3.473 2.835 4.314 0.074 5 0 "[ . 1 . 2 .]" 4
31 1 103 ALA HA 1 106 ARG QG 4.100 2.500 5.120 3.940 3.331 4.291 . 0 0 "[ . 1 . 2 .]" 4
32 1 104 GLU HA 1 104 GLU QG 3.400 2.100 4.240 2.524 2.243 3.290 . 0 0 "[ . 1 . 2 .]" 4
33 1 104 GLU HA 1 107 HIS HB3 3.100 . 3.880 2.472 2.297 2.663 . 0 0 "[ . 1 . 2 .]" 4
34 1 105 LEU HA 1 105 LEU HG 3.400 2.100 4.240 2.568 2.435 2.706 . 0 0 "[ . 1 . 2 .]" 4
35 1 106 ARG HA 1 106 ARG QG 2.800 . 3.500 2.513 2.236 3.050 . 0 0 "[ . 1 . 2 .]" 4
36 1 106 ARG HA 1 109 MET QB 3.200 . 4.000 3.005 2.809 3.224 . 0 0 "[ . 1 . 2 .]" 4
37 1 106 ARG HA 1 109 MET QG 3.500 2.100 4.380 3.500 3.160 3.666 . 0 0 "[ . 1 . 2 .]" 4
38 1 106 ARG QB 1 106 ARG QD 2.600 . 3.240 2.216 2.110 2.515 . 0 0 "[ . 1 . 2 .]" 4
39 1 107 HIS HA 1 107 HIS HB2 2.600 . 3.240 2.612 2.514 2.659 . 0 0 "[ . 1 . 2 .]" 4
40 1 107 HIS HA 1 110 THR HB 2.800 . 3.500 3.535 3.505 3.578 0.078 18 0 "[ . 1 . 2 .]" 4
41 1 108 VAL HA 1 111 ASN QB 3.100 . 3.880 3.154 2.942 3.515 . 0 0 "[ . 1 . 2 .]" 4
42 1 109 MET HA 1 112 LEU HB3 3.800 2.300 4.760 4.512 4.322 4.725 . 0 0 "[ . 1 . 2 .]" 4
43 1 110 THR HB 1 111 ASN HA 3.400 2.100 4.240 3.935 3.910 3.971 . 0 0 "[ . 1 . 2 .]" 4
44 1 112 LEU HA 1 112 LEU HG 2.800 . 3.500 2.575 2.426 2.644 . 0 0 "[ . 1 . 2 .]" 4
45 1 114 GLU HA 1 114 GLU QG 2.200 . 2.760 2.482 2.238 2.992 0.232 21 0 "[ . 1 . 2 .]" 4
46 1 115 LYS HA 1 115 LYS QG 2.200 . 2.740 2.328 2.240 2.558 . 0 0 "[ . 1 . 2 .]" 4
47 1 116 LEU HA 1 116 LEU HG 2.700 . 3.380 3.076 2.658 3.639 0.259 18 0 "[ . 1 . 2 .]" 4
48 1 116 LEU QB 1 120 GLU HB2 3.400 . 4.260 3.417 2.753 4.307 0.047 21 0 "[ . 1 . 2 .]" 4
49 1 118 ASP HA 1 121 VAL HB 2.300 . 2.880 2.866 2.699 2.951 0.071 21 0 "[ . 1 . 2 .]" 4
50 1 119 GLU HA 1 119 GLU QG 2.200 . 2.740 2.335 2.242 2.961 0.221 7 0 "[ . 1 . 2 .]" 4
51 1 119 GLU HA 1 122 ASP HB2 2.500 . 3.120 2.724 2.330 3.084 . 0 0 "[ . 1 . 2 .]" 4
52 1 121 VAL HA 1 124 MET HB3 3.400 2.100 4.240 4.030 3.845 4.190 . 0 0 "[ . 1 . 2 .]" 4
53 1 121 VAL HA 1 124 MET HB2 3.400 2.100 4.240 2.421 2.325 2.548 . 0 0 "[ . 1 . 2 .]" 4
54 1 121 VAL HA 1 124 MET QG 3.800 2.300 4.740 2.946 2.340 3.859 . 0 0 "[ . 1 . 2 .]" 4
55 1 122 ASP HA 1 125 ILE HB 2.400 . 3.000 2.518 2.338 2.719 . 0 0 "[ . 1 . 2 .]" 4
56 1 122 ASP HA 1 125 ILE HG13 3.800 2.300 4.760 3.626 3.464 3.718 . 0 0 "[ . 1 . 2 .]" 4
57 1 122 ASP HA 1 125 ILE HG12 3.800 2.300 4.760 4.781 4.718 4.837 0.077 21 0 "[ . 1 . 2 .]" 4
58 1 123 GLU QB 1 124 MET QG 3.000 . 3.740 3.569 3.164 3.828 0.088 18 0 "[ . 1 . 2 .]" 4
59 1 125 ILE HA 1 125 ILE HG12 2.900 . 3.620 2.439 2.349 2.512 . 0 0 "[ . 1 . 2 .]" 4
60 1 126 ARG HA 1 126 ARG QG 2.400 . 3.000 2.427 2.218 3.264 0.264 16 0 "[ . 1 . 2 .]" 4
61 1 127 GLU HA 1 127 GLU QG 2.300 . 2.880 2.348 2.234 2.631 . 0 0 "[ . 1 . 2 .]" 4
62 1 130 ILE HA 1 130 ILE HG12 3.600 2.200 4.500 2.271 2.219 2.600 . 0 0 "[ . 1 . 2 .]" 4
63 1 131 ASP HA 1 132 GLY HA3 3.700 2.200 4.620 4.693 4.685 4.703 0.083 3 0 "[ . 1 . 2 .]" 4
64 1 135 GLN HA 1 135 GLN QG 2.700 . 3.380 2.566 2.385 3.362 . 0 0 "[ . 1 . 2 .]" 4
65 1 137 ASN QB 1 138 TYR QE 3.600 2.200 4.500 4.687 4.588 4.947 0.447 23 0 "[ . 1 . 2 .]" 4
66 1 139 GLU HA 1 139 GLU QG 3.100 . 3.880 2.622 2.196 3.500 . 0 0 "[ . 1 . 2 .]" 4
67 1 139 GLU HA 1 142 VAL HB 3.000 . 3.760 2.832 2.657 3.337 . 0 0 "[ . 1 . 2 .]" 4
68 1 140 GLU HA 1 140 GLU QG 2.300 . 2.880 2.484 2.262 2.898 0.018 23 0 "[ . 1 . 2 .]" 4
69 1 141 PHE HA 1 144 MET QB 2.600 . 3.260 2.392 2.316 2.648 . 0 0 "[ . 1 . 2 .]" 4
70 1 141 PHE HA 1 144 MET QG 3.400 . 4.260 3.583 3.110 3.905 . 0 0 "[ . 1 . 2 .]" 4
71 1 142 VAL HA 1 145 MET QB 3.600 2.200 4.500 3.348 2.953 3.569 . 0 0 "[ . 1 . 2 .]" 4
72 1 143 GLN HA 1 146 THR HB 3.200 . 4.000 3.976 3.762 4.110 0.110 3 0 "[ . 1 . 2 .]" 4
73 1 144 MET HA 1 144 MET QG 2.700 . 3.380 2.272 2.202 2.314 . 0 0 "[ . 1 . 2 .]" 4
74 1 78 ASP QB 1 79 THR MG 5.300 3.500 6.400 3.791 3.438 4.109 0.062 16 0 "[ . 1 . 2 .]" 4
75 1 81 SER QB 1 85 ILE MD 4.300 2.600 5.380 4.417 3.677 5.179 . 0 0 "[ . 1 . 2 .]" 4
76 1 82 GLU QG 1 142 VAL MG1 3.400 2.100 4.240 3.006 2.197 4.165 . 0 0 "[ . 1 . 2 .]" 4
77 1 85 ILE HA 1 85 ILE MD 3.500 2.100 4.380 3.764 3.727 3.778 . 0 0 "[ . 1 . 2 .]" 4
78 1 85 ILE HA 1 85 ILE MG 2.700 . 3.380 2.486 2.447 2.522 . 0 0 "[ . 1 . 2 .]" 4
79 1 85 ILE HA 1 88 ALA MB 3.400 . 4.260 2.611 2.389 2.952 . 0 0 "[ . 1 . 2 .]" 4
80 1 85 ILE MD 1 109 MET ME 3.800 2.300 4.740 4.754 4.652 4.807 0.067 14 0 "[ . 1 . 2 .]" 4
81 1 85 ILE MD 1 112 LEU QD 3.400 . 4.260 3.476 3.354 3.679 . 0 0 "[ . 1 . 2 .]" 4
82 1 85 ILE MD 1 145 MET ME 2.900 . 3.620 1.953 1.902 2.192 . 0 0 "[ . 1 . 2 .]" 4
83 1 85 ILE MD 1 146 THR HA 4.100 2.500 5.120 4.126 3.772 4.573 . 0 0 "[ . 1 . 2 .]" 4
84 1 85 ILE MD 1 146 THR MG 2.500 . 3.120 2.860 2.465 3.092 . 0 0 "[ . 1 . 2 .]" 4
85 1 85 ILE MD 1 85 ILE MG 1.800 . 2.240 1.743 1.718 1.793 . 0 0 "[ . 1 . 2 .]" 4
86 1 85 ILE HG13 1 146 THR MG 3.900 2.300 4.880 4.779 4.323 4.934 0.054 8 0 "[ . 1 . 2 .]" 4
87 1 85 ILE MG 1 112 LEU QD 3.900 2.300 4.880 2.892 2.528 3.245 . 0 0 "[ . 1 . 2 .]" 4
88 1 85 ILE MG 1 142 VAL HA 3.400 . 4.260 2.486 2.273 2.965 . 0 0 "[ . 1 . 2 .]" 4
89 1 85 ILE MG 1 142 VAL MG2 3.100 . 3.880 2.100 1.986 2.480 . 0 0 "[ . 1 . 2 .]" 4
90 1 85 ILE MG 1 145 MET ME 2.900 . 3.620 2.307 2.144 2.418 . 0 0 "[ . 1 . 2 .]" 4
91 1 86 ARG HA 1 142 VAL MG2 4.300 2.600 5.380 2.822 2.555 3.362 0.045 2 0 "[ . 1 . 2 .]" 4
92 1 88 ALA HA 1 91 VAL QG 2.900 . 3.620 3.025 2.850 3.258 . 0 0 "[ . 1 . 2 .]" 4
93 1 88 ALA MB 1 108 VAL MG1 3.200 . 4.000 2.239 2.143 2.402 . 0 0 "[ . 1 . 2 .]" 4
94 1 88 ALA MB 1 108 VAL MG2 3.700 2.200 4.620 3.778 3.439 3.976 . 0 0 "[ . 1 . 2 .]" 4
95 1 88 ALA MB 1 112 LEU QD 2.800 . 3.500 1.879 1.793 1.957 . 0 0 "[ . 1 . 2 .]" 4
96 1 89 PHE HA 1 108 VAL MG2 3.800 2.300 4.760 2.277 2.216 2.347 0.084 19 0 "[ . 1 . 2 .]" 4
97 1 91 VAL HA 1 91 VAL QG 2.300 . 2.880 2.142 2.110 2.159 . 0 0 "[ . 1 . 2 .]" 4
98 1 92 PHE QB 1 100 ILE MG 4.700 2.800 5.880 2.469 2.370 2.589 0.430 1 0 "[ . 1 . 2 .]" 4
99 1 93 ASP HA 1 100 ILE MG 4.000 2.400 5.000 2.432 2.277 2.804 0.123 16 0 "[ . 1 . 2 .]" 4
100 1 100 ILE HA 1 100 ILE MG 3.200 . 4.000 2.322 2.250 2.382 . 0 0 "[ . 1 . 2 .]" 4
101 1 100 ILE HB 1 100 ILE MD 4.400 2.600 5.500 2.402 2.281 2.501 0.319 12 0 "[ . 1 . 2 .]" 4
102 1 100 ILE MD 1 100 ILE MG 2.600 . 3.240 1.895 1.828 2.010 . 0 0 "[ . 1 . 2 .]" 4
103 1 100 ILE MD 1 105 LEU HA 3.800 2.300 4.740 2.250 2.198 2.457 0.102 8 0 "[ . 1 . 2 .]" 4
104 1 100 ILE MD 1 108 VAL MG2 4.100 2.500 5.120 2.340 2.236 2.534 0.264 3 0 "[ . 1 . 2 .]" 4
105 1 100 ILE MG 1 138 TYR QD 4.100 2.500 5.120 3.742 2.772 4.476 . 0 0 "[ . 1 . 2 .]" 4
106 1 100 ILE MG 1 138 TYR QE 3.800 2.300 4.760 3.633 2.718 4.806 0.046 19 0 "[ . 1 . 2 .]" 4
107 1 102 ALA HA 1 136 VAL MG2 3.200 . 4.000 3.526 3.207 3.785 . 0 0 "[ . 1 . 2 .]" 4
108 1 102 ALA MB 1 125 ILE MD 3.000 . 3.760 3.803 3.628 3.870 0.110 25 0 "[ . 1 . 2 .]" 4
109 1 102 ALA MB 1 130 ILE MD 3.300 . 4.120 1.980 1.920 2.091 0.080 6 0 "[ . 1 . 2 .]" 4
110 1 102 ALA MB 1 136 VAL MG2 2.600 . 3.240 2.935 2.660 3.146 . 0 0 "[ . 1 . 2 .]" 4
111 1 106 ARG HA 1 121 VAL MG1 3.800 2.300 4.740 3.481 3.112 3.820 . 0 0 "[ . 1 . 2 .]" 4
112 1 106 ARG HA 1 125 ILE MD 3.900 2.300 4.880 4.899 4.692 5.009 0.129 17 0 "[ . 1 . 2 .]" 4
113 1 106 ARG QG 1 121 VAL MG1 3.800 2.300 4.760 2.709 2.237 3.830 0.063 7 0 "[ . 1 . 2 .]" 4
114 1 106 ARG QG 1 125 ILE MD 3.800 2.300 4.760 3.389 2.669 4.851 0.091 11 0 "[ . 1 . 2 .]" 4
115 1 108 VAL HA 1 108 VAL MG1 4.000 2.400 5.000 2.380 2.337 2.438 0.063 4 0 "[ . 1 . 2 .]" 4
116 1 108 VAL HA 1 108 VAL MG2 2.500 . 3.120 2.342 2.317 2.376 . 0 0 "[ . 1 . 2 .]" 4
117 1 108 VAL MG1 1 112 LEU QD 4.000 2.400 5.000 2.370 2.250 2.597 0.150 15 0 "[ . 1 . 2 .]" 4
118 1 109 MET HA 1 112 LEU QD 4.100 2.500 5.120 2.572 2.421 3.726 0.079 15 0 "[ . 1 . 2 .]" 4
119 1 109 MET ME 1 116 LEU QD 2.600 . 3.240 2.860 2.392 3.181 . 0 0 "[ . 1 . 2 .]" 4
120 1 109 MET ME 1 121 VAL HA 4.100 2.500 5.120 3.428 2.952 3.796 . 0 0 "[ . 1 . 2 .]" 4
121 1 109 MET ME 1 121 VAL MG1 2.800 . 3.500 2.894 2.474 3.318 . 0 0 "[ . 1 . 2 .]" 4
122 1 109 MET ME 1 121 VAL MG2 2.800 . 3.500 2.271 2.021 2.679 . 0 0 "[ . 1 . 2 .]" 4
123 1 110 THR HA 1 110 THR MG 1.800 . 2.240 2.174 2.162 2.185 . 0 0 "[ . 1 . 2 .]" 4
124 1 110 THR MG 1 118 ASP HA 4.000 2.400 5.000 4.978 4.542 5.081 0.081 20 0 "[ . 1 . 2 .]" 4
125 1 112 LEU HA 1 112 LEU QD 1.800 . 2.240 2.168 2.134 2.261 0.021 14 0 "[ . 1 . 2 .]" 4
126 1 112 LEU HB3 1 112 LEU QD 2.700 . 3.380 2.092 2.063 2.153 . 0 0 "[ . 1 . 2 .]" 4
127 1 112 LEU QD 1 145 MET ME 2.900 . 3.620 2.545 2.234 3.205 . 0 0 "[ . 1 . 2 .]" 4
128 1 116 LEU HA 1 116 LEU QD 1.800 . 2.260 2.438 2.183 3.020 0.760 20 8 "[* . * . **+- * *]" 4
129 1 116 LEU HA 1 117 THR MG 4.100 2.500 5.120 3.645 3.441 3.790 . 0 0 "[ . 1 . 2 .]" 4
130 1 116 LEU QB 1 116 LEU QD 2.600 . 3.240 1.899 1.883 1.911 . 0 0 "[ . 1 . 2 .]" 4
131 1 116 LEU QB 1 121 VAL MG2 2.400 . 3.000 2.988 2.752 3.127 0.127 1 0 "[ . 1 . 2 .]" 4
132 1 116 LEU QD 1 120 GLU HB3 3.300 . 4.120 3.443 2.874 4.201 0.081 21 0 "[ . 1 . 2 .]" 4
133 1 116 LEU QD 1 121 VAL HA 4.700 2.800 5.880 4.503 3.872 4.941 . 0 0 "[ . 1 . 2 .]" 4
134 1 116 LEU QD 1 121 VAL MG2 2.700 . 3.380 2.820 1.774 3.367 . 0 0 "[ . 1 . 2 .]" 4
135 1 116 LEU QD 1 124 MET ME 2.600 . 3.260 2.886 2.330 3.358 0.098 1 0 "[ . 1 . 2 .]" 4
136 1 116 LEU HG 1 121 VAL MG2 4.600 2.700 5.760 4.992 3.957 5.536 . 0 0 "[ . 1 . 2 .]" 4
137 1 118 ASP HA 1 121 VAL MG1 4.700 2.800 5.880 4.095 3.994 4.200 . 0 0 "[ . 1 . 2 .]" 4
138 1 118 ASP HA 1 121 VAL MG2 3.400 . 4.260 3.215 2.585 4.174 . 0 0 "[ . 1 . 2 .]" 4
139 1 121 VAL HA 1 121 VAL MG1 2.600 . 3.260 2.443 2.296 2.632 . 0 0 "[ . 1 . 2 .]" 4
140 1 121 VAL HA 1 121 VAL MG2 2.400 . 3.000 2.287 2.196 2.388 . 0 0 "[ . 1 . 2 .]" 4
141 1 121 VAL HA 1 124 MET ME 3.900 2.300 4.880 3.354 2.280 4.284 0.020 19 0 "[ . 1 . 2 .]" 4
142 1 121 VAL MG1 1 122 ASP HA 4.200 2.500 5.240 3.323 3.123 3.483 . 0 0 "[ . 1 . 2 .]" 4
143 1 121 VAL MG1 1 125 ILE MD 2.000 . 2.500 2.118 2.017 2.396 . 0 0 "[ . 1 . 2 .]" 4
144 1 121 VAL MG1 1 125 ILE HG13 3.800 2.300 4.740 2.401 2.258 2.710 0.042 23 0 "[ . 1 . 2 .]" 4
145 1 122 ASP HA 1 125 ILE MD 3.100 . 3.880 2.392 2.304 2.645 . 0 0 "[ . 1 . 2 .]" 4
146 1 125 ILE HA 1 125 ILE MD 3.800 2.300 4.740 3.782 3.744 3.810 . 0 0 "[ . 1 . 2 .]" 4
147 1 125 ILE HA 1 125 ILE MG 2.500 . 3.120 2.472 2.439 2.516 . 0 0 "[ . 1 . 2 .]" 4
148 1 125 ILE HA 1 128 ALA MB 3.200 . 4.000 2.261 2.236 2.284 . 0 0 "[ . 1 . 2 .]" 4
149 1 125 ILE HB 1 125 ILE MD 2.600 . 3.260 2.331 2.274 2.369 . 0 0 "[ . 1 . 2 .]" 4
150 1 125 ILE MD 1 125 ILE MG 1.700 . 2.120 1.891 1.804 2.027 . 0 0 "[ . 1 . 2 .]" 4
151 1 125 ILE MG 1 126 ARG HA 4.200 2.500 5.240 3.381 3.273 3.435 . 0 0 "[ . 1 . 2 .]" 4
152 1 125 ILE MG 1 128 ALA MB 4.200 2.500 5.260 3.675 3.582 3.814 . 0 0 "[ . 1 . 2 .]" 4
153 1 128 ALA HA 1 144 MET ME 4.200 2.500 5.260 3.694 2.688 4.684 . 0 0 "[ . 1 . 2 .]" 4
154 1 128 ALA MB 1 130 ILE MD 3.000 . 3.740 3.200 2.824 3.288 . 0 0 "[ . 1 . 2 .]" 4
155 1 128 ALA MB 1 130 ILE HG12 4.600 2.700 5.760 2.695 2.648 2.853 0.052 10 0 "[ . 1 . 2 .]" 4
156 1 128 ALA MB 1 130 ILE MG 3.600 2.200 4.500 4.606 4.491 4.639 0.139 4 0 "[ . 1 . 2 .]" 4
157 1 128 ALA MB 1 136 VAL MG1 3.000 . 3.740 2.844 2.539 3.192 . 0 0 "[ . 1 . 2 .]" 4
158 1 128 ALA MB 1 136 VAL MG2 3.000 . 3.740 3.928 3.801 3.984 0.244 6 0 "[ . 1 . 2 .]" 4
159 1 128 ALA MB 1 144 MET ME 2.600 . 3.260 2.771 2.191 3.213 . 0 0 "[ . 1 . 2 .]" 4
160 1 130 ILE HA 1 130 ILE MG 2.900 . 3.620 2.616 2.352 2.671 . 0 0 "[ . 1 . 2 .]" 4
161 1 130 ILE HB 1 130 ILE MD 2.900 . 3.620 2.931 2.704 2.958 . 0 0 "[ . 1 . 2 .]" 4
162 1 130 ILE MD 1 130 ILE MG 1.900 . 2.380 1.778 1.742 1.804 . 0 0 "[ . 1 . 2 .]" 4
163 1 130 ILE MD 1 136 VAL HA 4.400 2.600 5.500 5.476 4.979 5.603 0.103 8 0 "[ . 1 . 2 .]" 4
164 1 130 ILE MG 1 134 GLY QA 3.600 2.200 4.500 4.344 3.370 4.634 0.134 24 0 "[ . 1 . 2 .]" 4
165 1 136 VAL HA 1 136 VAL MG2 3.200 . 4.000 2.615 2.549 2.649 . 0 0 "[ . 1 . 2 .]" 4
166 1 138 TYR QD 1 142 VAL MG2 4.600 2.700 5.760 2.642 2.513 3.032 0.187 4 0 "[ . 1 . 2 .]" 4
167 1 139 GLU HA 1 142 VAL MG1 4.600 2.800 5.740 4.054 3.947 4.417 . 0 0 "[ . 1 . 2 .]" 4
168 1 139 GLU HA 1 142 VAL MG2 3.900 2.300 4.880 2.458 2.274 3.160 0.026 4 0 "[ . 1 . 2 .]" 4
169 1 141 PHE HA 1 144 MET ME 3.000 . 3.760 3.488 2.290 3.783 0.023 4 0 "[ . 1 . 2 .]" 4
170 1 142 VAL HA 1 142 VAL MG1 3.100 . 3.880 2.355 2.298 2.483 . 0 0 "[ . 1 . 2 .]" 4
171 1 142 VAL HA 1 142 VAL MG2 3.400 . 4.260 2.289 2.249 2.344 . 0 0 "[ . 1 . 2 .]" 4
172 1 142 VAL MG1 1 143 GLN HA 4.700 2.800 5.880 3.339 3.264 3.431 . 0 0 "[ . 1 . 2 .]" 4
173 1 145 MET QG 1 146 THR MG 4.600 2.800 5.740 5.474 4.842 5.759 0.019 21 0 "[ . 1 . 2 .]" 4
174 1 147 ALA MB 1 148 LYS QD 4.200 2.500 5.240 4.816 4.167 5.294 0.054 6 0 "[ . 1 . 2 .]" 4
175 1 100 ILE MD 1 105 LEU QD 4.100 2.500 5.120 2.472 2.332 2.606 0.168 22 0 "[ . 1 . 2 .]" 4
176 1 105 LEU HA 1 105 LEU QD 4.000 2.400 5.000 2.866 2.666 3.126 . 0 0 "[ . 1 . 2 .]" 4
177 1 105 LEU QD 1 136 VAL MG1 3.700 2.500 4.620 3.635 3.373 3.864 . 0 0 "[ . 1 . 2 .]" 4
178 1 105 LEU QD 1 136 VAL MG2 3.400 2.100 4.240 3.634 3.381 3.824 . 0 0 "[ . 1 . 2 .]" 4
179 1 105 LEU QD 1 109 MET ME 4.100 2.500 5.120 3.387 3.048 3.750 . 0 0 "[ . 1 . 2 .]" 4
180 1 105 LEU QD 1 125 ILE MD 3.400 2.100 4.240 3.987 3.852 4.115 . 0 0 "[ . 1 . 2 .]" 4
181 1 105 LEU QD 1 125 ILE MG 4.700 2.800 5.880 4.864 4.637 5.102 . 0 0 "[ . 1 . 2 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 533.603
_Distance_constraint_stats_list.Viol_max 1.642
_Distance_constraint_stats_list.Viol_rms 0.1680
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.1779
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 THR 0.004 0.004 9 0 "[ . 1 . 2 .]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 GLN 0.004 0.004 9 0 "[ . 1 . 2 .]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 THR 0.414 0.039 5 0 "[ . 1 . 2 .]"
1 31 GLU 0.414 0.039 5 0 "[ . 1 . 2 .]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 VAL 1.103 0.072 23 0 "[ . 1 . 2 .]"
1 36 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 LEU 1.103 0.072 23 0 "[ . 1 . 2 .]"
1 44 THR 19.047 1.642 1 14 "[+* *.** ** ** *- 2 ***]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 47 GLU 19.183 1.642 1 14 "[+* *.** ** ** *- 2 ***]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 GLN 0.015 0.015 23 0 "[ . 1 . 2 .]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 MET 0.135 0.036 7 0 "[ . 1 . 2 .]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 ASN 0.015 0.015 23 0 "[ . 1 . 2 .]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 64 ASP 0.022 0.011 17 0 "[ . 1 . 2 .]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 66 PRO 0.111 0.028 18 0 "[ . 1 . 2 .]"
1 67 GLU 0.022 0.011 17 0 "[ . 1 . 2 .]"
1 68 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 70 THR 0.111 0.028 18 0 "[ . 1 . 2 .]"
1 71 MET 0.492 0.050 18 0 "[ . 1 . 2 .]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 75 LYS 0.492 0.050 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 6 GLU O 1 10 ALA H 1.900 . 2.500 2.177 1.841 2.405 . 0 0 "[ . 1 . 2 .]" 5
2 1 7 GLU O 1 11 GLU H 1.900 . 2.500 1.888 1.799 2.087 . 0 0 "[ . 1 . 2 .]" 5
3 1 8 GLN O 1 12 PHE H 1.900 . 2.500 2.312 2.131 2.458 . 0 0 "[ . 1 . 2 .]" 5
4 1 10 ALA O 1 14 GLU H 1.900 . 2.500 2.058 1.897 2.417 . 0 0 "[ . 1 . 2 .]" 5
5 1 11 GLU O 1 15 ALA H 1.900 . 2.500 2.174 1.965 2.311 . 0 0 "[ . 1 . 2 .]" 5
6 1 12 PHE O 1 16 PHE H 1.900 . 2.500 1.925 1.816 2.090 . 0 0 "[ . 1 . 2 .]" 5
7 1 13 LYS O 1 17 SER H 1.900 . 2.500 1.920 1.811 2.123 . 0 0 "[ . 1 . 2 .]" 5
8 1 31 GLU O 1 35 VAL H 1.900 . 2.500 2.195 2.057 2.308 . 0 0 "[ . 1 . 2 .]" 5
9 1 32 LEU O 1 36 MET H 1.900 . 2.500 2.133 1.959 2.242 . 0 0 "[ . 1 . 2 .]" 5
10 1 33 GLY O 1 37 ARG H 1.900 . 2.500 2.119 1.939 2.281 . 0 0 "[ . 1 . 2 .]" 5
11 1 34 THR O 1 38 SER H 1.900 . 2.500 2.294 2.148 2.423 . 0 0 "[ . 1 . 2 .]" 5
12 1 35 VAL O 1 39 LEU H 1.900 . 2.500 2.544 2.506 2.572 0.072 23 0 "[ . 1 . 2 .]" 5
13 1 45 GLU O 1 49 GLN H 1.900 . 2.500 1.825 1.798 1.862 . 0 0 "[ . 1 . 2 .]" 5
14 1 46 ALA O 1 50 ASP H 1.900 . 2.500 2.025 1.903 2.167 . 0 0 "[ . 1 . 2 .]" 5
15 1 47 GLU O 1 51 MET H 1.900 . 2.500 2.455 2.206 2.536 0.036 7 0 "[ . 1 . 2 .]" 5
16 1 48 LEU O 1 52 ILE H 1.900 . 2.500 2.133 1.861 2.326 . 0 0 "[ . 1 . 2 .]" 5
17 1 49 GLN O 1 53 ASN H 1.900 . 2.500 2.239 2.026 2.515 0.015 23 0 "[ . 1 . 2 .]" 5
18 1 51 MET O 1 55 VAL H 1.900 . 2.500 1.941 1.769 2.187 . 0 0 "[ . 1 . 2 .]" 5
19 1 65 PHE O 1 69 LEU H 1.900 . 2.500 1.996 1.870 2.088 . 0 0 "[ . 1 . 2 .]" 5
20 1 66 PRO O 1 70 THR H 1.900 . 2.500 2.462 2.296 2.528 0.028 18 0 "[ . 1 . 2 .]" 5
21 1 67 GLU O 1 71 MET H 1.900 . 2.500 2.359 2.199 2.498 . 0 0 "[ . 1 . 2 .]" 5
22 1 68 PHE O 1 72 MET H 1.900 . 2.500 2.311 2.232 2.389 . 0 0 "[ . 1 . 2 .]" 5
23 1 69 LEU O 1 73 ALA H 1.900 . 2.500 2.121 1.821 2.354 . 0 0 "[ . 1 . 2 .]" 5
24 1 70 THR O 1 74 ARG H 1.900 . 2.500 2.335 1.786 2.499 . 0 0 "[ . 1 . 2 .]" 5
25 1 71 MET O 1 75 LYS H 1.900 . 2.500 2.484 2.138 2.550 0.050 18 0 "[ . 1 . 2 .]" 5
26 1 27 ILE O 1 63 ILE H 1.900 . 2.500 1.944 1.917 1.987 . 0 0 "[ . 1 . 2 .]" 5
27 1 27 ILE H 1 63 ILE O 1.900 . 2.500 1.993 1.956 2.056 . 0 0 "[ . 1 . 2 .]" 5
28 1 5 THR OG1 1 8 GLN H 1.900 . 2.500 2.372 2.245 2.504 0.004 9 0 "[ . 1 . 2 .]" 5
29 1 5 THR H 1 8 GLN OE1 1.900 . 2.500 2.236 1.883 2.497 . 0 0 "[ . 1 . 2 .]" 5
30 1 28 THR OG1 1 31 GLU H 1.900 . 2.500 2.514 2.477 2.539 0.039 5 0 "[ . 1 . 2 .]" 5
31 1 28 THR H 1 31 GLU OE1 1.900 . 2.500 2.433 2.294 2.510 0.010 13 0 "[ . 1 . 2 .]" 5
32 1 44 THR OG1 1 47 GLU H 1.900 . 2.500 2.455 2.332 2.522 0.022 4 0 "[ . 1 . 2 .]" 5
33 1 44 THR H 1 47 GLU OE1 1.900 . 2.500 3.136 1.958 4.142 1.642 1 14 "[+* *.** ** ** *- 2 ***]" 5
34 1 64 ASP OD1 1 67 GLU H 1.900 . 2.500 1.869 1.794 1.972 . 0 0 "[ . 1 . 2 .]" 5
35 1 64 ASP H 1 67 GLU OE1 1.900 . 2.500 2.437 2.257 2.511 0.011 17 0 "[ . 1 . 2 .]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 25
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 312.111
_Distance_constraint_stats_list.Viol_max 1.571
_Distance_constraint_stats_list.Viol_rms 0.1281
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0200
_Distance_constraint_stats_list.Viol_average_violations_only 0.1058
_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 81 SER 0.060 0.032 7 0 "[ . 1 . 2 .]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 84 GLU 0.870 0.112 20 0 "[ . 1 . 2 .]"
1 85 ILE 0.060 0.032 7 0 "[ . 1 . 2 .]"
1 86 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 87 GLU 0.012 0.012 15 0 "[ . 1 . 2 .]"
1 88 ALA 0.870 0.112 20 0 "[ . 1 . 2 .]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 91 VAL 0.012 0.012 15 0 "[ . 1 . 2 .]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 100 ILE 1.124 0.196 18 0 "[ . 1 . 2 .]"
1 101 SER 4.818 1.308 12 3 "[ . 1 + . - 2 *]"
1 103 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 104 GLU 4.818 1.308 12 3 "[ . 1 + . - 2 *]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 107 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 117 THR 4.114 1.571 11 3 "[ * . 1+- . 2 .]"
1 118 ASP 0.052 0.041 14 0 "[ . 1 . 2 .]"
1 119 GLU 0.253 0.068 10 0 "[ . 1 . 2 .]"
1 120 GLU 4.183 1.571 11 3 "[ * . 1+- . 2 .]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 122 ASP 0.091 0.041 14 0 "[ . 1 . 2 .]"
1 123 GLU 0.253 0.068 10 0 "[ . 1 . 2 .]"
1 124 MET 0.069 0.031 4 0 "[ . 1 . 2 .]"
1 125 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 126 ARG 0.039 0.015 21 0 "[ . 1 . 2 .]"
1 136 VAL 1.124 0.196 18 0 "[ . 1 . 2 .]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 139 GLU 0.030 0.030 4 0 "[ . 1 . 2 .]"
1 140 GLU 1.049 0.076 5 0 "[ . 1 . 2 .]"
1 141 PHE 0.024 0.012 13 0 "[ . 1 . 2 .]"
1 142 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 143 GLN 0.030 0.030 4 0 "[ . 1 . 2 .]"
1 144 MET 1.019 0.076 5 0 "[ . 1 . 2 .]"
1 145 MET 0.024 0.012 13 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 81 SER O 1 85 ILE H 1.900 . 2.500 2.230 1.926 2.532 0.032 7 0 "[ . 1 . 2 .]" 6
2 1 82 GLU O 1 86 ARG H 1.900 . 2.500 2.055 1.836 2.492 . 0 0 "[ . 1 . 2 .]" 6
3 1 84 GLU O 1 88 ALA H 1.900 . 2.500 2.527 2.383 2.612 0.112 20 0 "[ . 1 . 2 .]" 6
4 1 85 ILE O 1 89 PHE H 1.900 . 2.500 1.928 1.827 2.068 . 0 0 "[ . 1 . 2 .]" 6
5 1 86 ARG O 1 90 ARG H 1.900 . 2.500 1.968 1.792 2.208 . 0 0 "[ . 1 . 2 .]" 6
6 1 87 GLU O 1 91 VAL H 1.900 . 2.500 2.328 2.109 2.512 0.012 15 0 "[ . 1 . 2 .]" 6
7 1 89 PHE O 1 92 PHE H 1.900 . 2.500 2.187 1.917 2.352 . 0 0 "[ . 1 . 2 .]" 6
8 1 103 ALA O 1 107 HIS H 1.900 . 2.500 1.821 1.733 1.930 . 0 0 "[ . 1 . 2 .]" 6
9 1 104 GLU O 1 108 VAL H 1.900 . 2.500 1.940 1.805 2.392 . 0 0 "[ . 1 . 2 .]" 6
10 1 105 LEU O 1 109 MET H 1.900 . 2.500 2.226 2.106 2.422 . 0 0 "[ . 1 . 2 .]" 6
11 1 118 ASP O 1 122 ASP H 1.900 . 2.500 2.245 1.922 2.541 0.041 14 0 "[ . 1 . 2 .]" 6
12 1 119 GLU O 1 123 GLU H 1.900 . 2.500 2.405 2.135 2.568 0.068 10 0 "[ . 1 . 2 .]" 6
13 1 120 GLU O 1 124 MET H 1.900 . 2.500 2.313 1.949 2.531 0.031 4 0 "[ . 1 . 2 .]" 6
14 1 121 VAL O 1 125 ILE H 1.900 . 2.500 1.907 1.812 2.057 . 0 0 "[ . 1 . 2 .]" 6
15 1 122 ASP O 1 126 ARG H 1.900 . 2.500 2.400 2.230 2.515 0.015 21 0 "[ . 1 . 2 .]" 6
16 1 138 TYR O 1 142 VAL H 1.900 . 2.500 1.735 1.692 1.829 . 0 0 "[ . 1 . 2 .]" 6
17 1 139 GLU O 1 143 GLN H 1.900 . 2.500 2.362 2.215 2.530 0.030 4 0 "[ . 1 . 2 .]" 6
18 1 140 GLU O 1 144 MET H 1.900 . 2.500 2.535 2.403 2.576 0.076 5 0 "[ . 1 . 2 .]" 6
19 1 141 PHE O 1 145 MET H 1.900 . 2.500 2.361 2.111 2.512 0.012 13 0 "[ . 1 . 2 .]" 6
20 1 100 ILE O 1 136 VAL H 1.900 . 2.500 2.269 1.997 2.519 0.019 19 0 "[ . 1 . 2 .]" 6
21 1 100 ILE H 1 136 VAL O 1.900 . 2.500 2.513 2.234 2.696 0.196 18 0 "[ . 1 . 2 .]" 6
22 1 101 SER OG 1 104 GLU H 1.900 . 2.500 2.514 2.318 2.615 0.115 9 0 "[ . 1 . 2 .]" 6
23 1 101 SER H 1 104 GLU OE1 1.900 . 2.500 2.543 1.998 3.808 1.308 12 3 "[ . 1 + . - 2 *]" 6
24 1 117 THR OG1 1 120 GLU H 1.900 . 2.500 2.412 2.275 2.507 0.007 19 0 "[ . 1 . 2 .]" 6
25 1 117 THR H 1 120 GLU OE1 1.900 . 2.500 2.399 1.856 4.071 1.571 11 3 "[ * . 1+- . 2 .]" 6
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 1:16:50 PM GMT (wattos1)