NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484220 |
2gut   |
7185 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gut
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 562
_Distance_constraint_stats_list.Viol_count 1528
_Distance_constraint_stats_list.Viol_total 1260.056
_Distance_constraint_stats_list.Viol_max 0.503
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0550
_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 5 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 6 GLU 0.012 0.004 9 0 "[ . 1 .]"
1 7 THR 0.002 0.001 15 0 "[ . 1 .]"
1 8 ASP 0.008 0.004 13 0 "[ . 1 .]"
1 9 TRP 1.459 0.072 10 0 "[ . 1 .]"
1 10 ARG 1.305 0.145 10 0 "[ . 1 .]"
1 11 SER 0.198 0.028 5 0 "[ . 1 .]"
1 12 THR 5.165 0.121 5 0 "[ . 1 .]"
1 13 ALA 2.686 0.201 7 0 "[ . 1 .]"
1 14 PHE 1.478 0.072 14 0 "[ . 1 .]"
1 15 ARG 3.411 0.133 10 0 "[ . 1 .]"
1 16 GLN 9.279 0.212 8 0 "[ . 1 .]"
1 17 LYS 0.667 0.051 1 0 "[ . 1 .]"
1 18 LEU 7.243 0.207 7 0 "[ . 1 .]"
1 19 VAL 7.532 0.218 14 0 "[ . 1 .]"
1 20 SER 1.842 0.088 9 0 "[ . 1 .]"
1 21 GLN 4.796 0.130 15 0 "[ . 1 .]"
1 22 ILE 5.052 0.200 5 0 "[ . 1 .]"
1 23 GLU 2.041 0.088 9 0 "[ . 1 .]"
1 24 ASP 1.823 0.079 12 0 "[ . 1 .]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 26 MET 0.222 0.041 13 0 "[ . 1 .]"
1 27 ARG 0.543 0.041 12 0 "[ . 1 .]"
1 28 LYS 0.304 0.041 12 0 "[ . 1 .]"
1 29 ALA 1.581 0.118 14 0 "[ . 1 .]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 31 VAL 0.236 0.112 11 0 "[ . 1 .]"
1 34 SER 0.000 0.000 . 0 "[ . 1 .]"
1 35 LYS 3.603 0.276 14 0 "[ . 1 .]"
1 36 SER 4.056 0.133 8 0 "[ . 1 .]"
1 37 SER 0.864 0.090 14 0 "[ . 1 .]"
1 38 LYS 0.523 0.047 1 0 "[ . 1 .]"
1 39 ASP 1.098 0.045 15 0 "[ . 1 .]"
1 40 MET 2.463 0.126 14 0 "[ . 1 .]"
1 41 GLU 4.440 0.218 14 0 "[ . 1 .]"
1 42 SER 0.021 0.006 15 0 "[ . 1 .]"
1 43 HIS 0.101 0.015 10 0 "[ . 1 .]"
1 44 VAL 1.492 0.091 15 0 "[ . 1 .]"
1 45 PHE 1.490 0.145 10 0 "[ . 1 .]"
1 46 LEU 0.206 0.015 10 0 "[ . 1 .]"
1 47 LYS 1.055 0.331 15 0 "[ . 1 .]"
1 48 ALA 1.433 0.067 15 0 "[ . 1 .]"
1 49 LYS 0.522 0.031 15 0 "[ . 1 .]"
1 50 THR 0.151 0.013 14 0 "[ . 1 .]"
1 51 ARG 0.008 0.006 10 0 "[ . 1 .]"
1 52 ASP 0.191 0.026 8 0 "[ . 1 .]"
1 53 GLU 0.919 0.067 15 0 "[ . 1 .]"
1 54 TYR 5.021 0.178 9 0 "[ . 1 .]"
1 55 LEU 3.096 0.180 15 0 "[ . 1 .]"
1 56 SER 0.356 0.041 10 0 "[ . 1 .]"
1 57 LEU 4.438 0.246 15 0 "[ . 1 .]"
1 58 VAL 4.073 0.122 14 0 "[ . 1 .]"
1 59 ALA 2.667 0.188 4 0 "[ . 1 .]"
1 60 ARG 0.131 0.061 13 0 "[ . 1 .]"
1 61 LEU 4.889 0.503 13 1 "[ . 1 + .]"
1 62 ILE 7.962 0.201 10 0 "[ . 1 .]"
1 63 ILE 2.021 0.120 8 0 "[ . 1 .]"
1 64 HIS 2.184 0.109 10 0 "[ . 1 .]"
1 65 PHE 7.422 0.227 14 0 "[ . 1 .]"
1 66 ARG 0.419 0.051 10 0 "[ . 1 .]"
1 67 ASP 0.000 0.000 15 0 "[ . 1 .]"
1 68 ILE 0.051 0.008 12 0 "[ . 1 .]"
1 69 HIS 0.061 0.012 14 0 "[ . 1 .]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 73 SER 0.000 0.000 . 0 "[ . 1 .]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 .]"
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 18 LEU HA 1 19 VAL H 0.000 . 5.450 3.543 3.536 3.550 . 0 0 "[ . 1 .]" 1
2 1 18 LEU HB2 1 19 VAL H 0.000 . 4.100 2.680 2.606 2.729 . 0 0 "[ . 1 .]" 1
3 1 19 VAL H 1 19 VAL MG2 0.000 . 3.370 2.515 2.371 2.628 . 0 0 "[ . 1 .]" 1
4 1 56 SER HA 1 57 LEU H 0.000 . 4.900 3.567 3.566 3.569 . 0 0 "[ . 1 .]" 1
5 1 57 LEU H 1 57 LEU HB2 0.000 . 3.340 2.371 2.235 2.482 . 0 0 "[ . 1 .]" 1
6 1 57 LEU H 1 57 LEU HG 0.000 . 3.260 2.555 2.307 2.899 . 0 0 "[ . 1 .]" 1
7 1 57 LEU H 1 57 LEU HB3 0.000 . 4.140 3.560 3.523 3.583 . 0 0 "[ . 1 .]" 1
8 1 57 LEU H 1 58 VAL MG2 0.000 . 4.160 4.156 4.106 4.183 0.023 12 0 "[ . 1 .]" 1
9 1 27 ARG H 1 27 ARG QB 0.000 . 3.560 2.235 2.225 2.238 . 0 0 "[ . 1 .]" 1
10 1 26 MET HB2 1 27 ARG H 0.000 . 3.800 3.105 2.946 3.259 . 0 0 "[ . 1 .]" 1
11 1 26 MET HB3 1 27 ARG H 0.000 . 4.430 2.816 2.687 3.008 . 0 0 "[ . 1 .]" 1
12 1 54 TYR H 1 55 LEU H 0.000 . 3.440 2.818 2.716 2.878 . 0 0 "[ . 1 .]" 1
13 1 55 LEU H 1 56 SER QB 0.000 . 4.950 4.574 4.506 4.887 . 0 0 "[ . 1 .]" 1
14 1 55 LEU H 1 55 LEU HG 0.000 . 3.340 2.783 2.684 2.910 . 0 0 "[ . 1 .]" 1
15 1 55 LEU H 1 55 LEU HB2 0.000 . 3.530 2.269 2.212 2.317 . 0 0 "[ . 1 .]" 1
16 1 55 LEU H 1 55 LEU HB3 0.000 . 4.210 3.539 3.512 3.557 . 0 0 "[ . 1 .]" 1
17 1 54 TYR QE 1 55 LEU H 0.000 . 4.970 4.827 4.751 4.884 . 0 0 "[ . 1 .]" 1
18 1 22 ILE H 1 23 GLU H 0.000 . 3.630 2.693 2.639 2.722 . 0 0 "[ . 1 .]" 1
19 1 25 ALA H 1 26 MET H 0.000 . 3.890 2.746 2.728 2.767 . 0 0 "[ . 1 .]" 1
20 1 21 GLN H 1 22 ILE H 0.000 . 3.530 2.861 2.802 2.904 . 0 0 "[ . 1 .]" 1
21 1 21 GLN HA 1 22 ILE H 0.000 . 4.320 3.562 3.554 3.566 . 0 0 "[ . 1 .]" 1
22 1 21 GLN QB 1 22 ILE H 0.000 . 3.860 2.330 2.288 2.416 . 0 0 "[ . 1 .]" 1
23 1 26 MET H 1 26 MET HB2 0.000 . 3.820 2.067 2.061 2.090 . 0 0 "[ . 1 .]" 1
24 1 25 ALA MB 1 26 MET H 0.000 . 3.520 2.589 2.472 2.690 . 0 0 "[ . 1 .]" 1
25 1 22 ILE H 1 22 ILE HG13 0.000 . 3.890 2.346 2.232 2.484 . 0 0 "[ . 1 .]" 1
26 1 41 GLU H 1 41 GLU QB 0.000 . 3.570 2.315 2.088 2.557 . 0 0 "[ . 1 .]" 1
27 1 57 LEU HB2 1 58 VAL H 0.000 . 4.180 2.681 2.457 2.816 . 0 0 "[ . 1 .]" 1
28 1 23 GLU H 1 24 ASP H 0.000 . 4.040 2.516 2.486 2.549 . 0 0 "[ . 1 .]" 1
29 1 24 ASP H 1 25 ALA H 0.000 . 3.810 2.630 2.593 2.718 . 0 0 "[ . 1 .]" 1
30 1 24 ASP H 1 24 ASP HB2 0.000 . 3.360 2.421 2.352 2.501 . 0 0 "[ . 1 .]" 1
31 1 15 ARG H 1 16 GLN H 0.000 . 3.840 2.805 2.757 2.857 . 0 0 "[ . 1 .]" 1
32 1 14 PHE HB2 1 15 ARG H 0.000 . 3.830 3.292 3.264 3.340 . 0 0 "[ . 1 .]" 1
33 1 14 PHE HB3 1 15 ARG H 0.000 . 4.850 1.955 1.940 1.978 . 0 0 "[ . 1 .]" 1
34 1 15 ARG H 1 15 ARG HB2 0.000 . 3.310 2.354 2.343 2.363 . 0 0 "[ . 1 .]" 1
35 1 15 ARG H 1 15 ARG HB3 0.000 . 3.660 2.706 2.693 2.721 . 0 0 "[ . 1 .]" 1
36 1 58 VAL MG2 1 59 ALA H 0.000 . 4.920 3.699 3.613 3.746 . 0 0 "[ . 1 .]" 1
37 1 42 SER H 1 42 SER HA 0.000 . 3.020 2.776 2.756 2.799 . 0 0 "[ . 1 .]" 1
38 1 27 ARG HG3 1 28 LYS H 0.000 . 3.700 3.720 3.710 3.741 0.041 12 0 "[ . 1 .]" 1
39 1 52 ASP H 1 52 ASP HB3 0.000 . 3.480 2.808 2.346 3.275 . 0 0 "[ . 1 .]" 1
40 1 55 LEU H 1 56 SER H 0.000 . 3.210 2.781 2.753 2.818 . 0 0 "[ . 1 .]" 1
41 1 56 SER H 1 56 SER QB 0.000 . 3.070 2.265 2.197 2.434 . 0 0 "[ . 1 .]" 1
42 1 55 LEU HB2 1 56 SER H 0.000 . 3.970 2.962 2.917 3.005 . 0 0 "[ . 1 .]" 1
43 1 55 LEU HB3 1 56 SER H 0.000 . 4.620 3.553 3.452 3.611 . 0 0 "[ . 1 .]" 1
44 1 61 LEU H 1 62 ILE H 0.000 . 4.270 2.797 2.714 2.841 . 0 0 "[ . 1 .]" 1
45 1 62 ILE H 1 62 ILE HG12 0.000 . 3.640 3.649 3.537 3.676 0.036 4 0 "[ . 1 .]" 1
46 1 53 GLU QB 1 54 TYR H 0.000 . 3.640 2.424 2.269 2.654 . 0 0 "[ . 1 .]" 1
47 1 45 PHE HB3 1 46 LEU H 0.000 . 3.980 2.365 2.096 2.924 . 0 0 "[ . 1 .]" 1
48 1 46 LEU H 1 46 LEU HG 0.000 . 3.840 2.943 2.698 3.300 . 0 0 "[ . 1 .]" 1
49 1 46 LEU H 1 46 LEU HB2 0.000 . 3.370 2.222 2.156 2.304 . 0 0 "[ . 1 .]" 1
50 1 46 LEU H 1 46 LEU HB3 0.000 . 4.030 3.511 3.470 3.550 . 0 0 "[ . 1 .]" 1
51 1 20 SER H 1 20 SER QB 0.000 . 3.140 2.331 2.050 2.664 . 0 0 "[ . 1 .]" 1
52 1 19 VAL HA 1 20 SER H 0.000 . 5.500 3.550 3.532 3.568 . 0 0 "[ . 1 .]" 1
53 1 19 VAL MG1 1 20 SER H 0.000 . 4.340 2.979 2.750 3.156 . 0 0 "[ . 1 .]" 1
54 1 60 ARG H 1 60 ARG QB 0.000 . 3.040 2.168 2.045 2.441 . 0 0 "[ . 1 .]" 1
55 1 9 TRP H 1 10 ARG H 0.000 . 4.140 2.575 2.523 2.664 . 0 0 "[ . 1 .]" 1
56 1 8 ASP HA 1 9 TRP H 0.000 . 3.300 2.501 2.280 2.641 . 0 0 "[ . 1 .]" 1
57 1 9 TRP H 1 9 TRP HB2 0.000 . 3.850 3.606 3.583 3.681 . 0 0 "[ . 1 .]" 1
58 1 64 HIS H 1 64 HIS HB3 0.000 . 3.910 3.069 3.024 3.107 . 0 0 "[ . 1 .]" 1
59 1 11 SER H 1 11 SER HB2 0.000 . 3.880 3.028 2.701 3.505 . 0 0 "[ . 1 .]" 1
60 1 11 SER H 1 11 SER HB3 0.000 . 3.800 2.221 2.122 2.384 . 0 0 "[ . 1 .]" 1
61 1 10 ARG HA 1 11 SER H 0.000 . 5.090 3.301 3.116 3.432 . 0 0 "[ . 1 .]" 1
62 1 52 ASP HB2 1 53 GLU H 0.000 . 5.370 3.471 2.919 3.863 . 0 0 "[ . 1 .]" 1
63 1 53 GLU H 1 53 GLU QB 0.000 . 3.160 2.216 2.189 2.237 . 0 0 "[ . 1 .]" 1
64 1 38 LYS H 1 38 LYS QB 0.000 . 3.450 2.190 2.041 2.431 . 0 0 "[ . 1 .]" 1
65 1 43 HIS H 1 43 HIS HB3 0.000 . 3.040 2.593 2.447 2.698 . 0 0 "[ . 1 .]" 1
66 1 61 LEU H 1 61 LEU HB3 0.000 . 3.430 2.580 2.335 3.246 . 0 0 "[ . 1 .]" 1
67 1 25 ALA H 1 25 ALA MB 0.000 . 3.120 2.135 2.025 2.233 . 0 0 "[ . 1 .]" 1
68 1 47 LYS QB 1 48 ALA H 0.000 . 3.840 3.076 2.769 3.687 . 0 0 "[ . 1 .]" 1
69 1 48 ALA H 1 48 ALA MB 0.000 . 3.130 2.141 2.050 2.289 . 0 0 "[ . 1 .]" 1
70 1 13 ALA HA 1 14 PHE H 0.000 . 3.880 3.545 3.523 3.564 . 0 0 "[ . 1 .]" 1
71 1 14 PHE H 1 14 PHE HB2 0.000 . 3.620 2.223 2.179 2.269 . 0 0 "[ . 1 .]" 1
72 1 14 PHE H 1 14 PHE HB3 0.000 . 3.700 2.896 2.834 2.962 . 0 0 "[ . 1 .]" 1
73 1 13 ALA MB 1 14 PHE H 0.000 . 3.870 2.537 2.326 2.727 . 0 0 "[ . 1 .]" 1
74 1 20 SER QB 1 21 GLN H 0.000 . 4.260 2.535 2.398 2.676 . 0 0 "[ . 1 .]" 1
75 1 21 GLN H 1 21 GLN HG3 0.000 . 4.320 3.715 3.670 3.750 . 0 0 "[ . 1 .]" 1
76 1 21 GLN H 1 21 GLN QB 0.000 . 3.320 2.510 2.463 2.567 . 0 0 "[ . 1 .]" 1
77 1 17 LYS H 1 17 LYS HB3 0.000 . 3.590 3.473 3.403 3.500 . 0 0 "[ . 1 .]" 1
78 1 46 LEU HB3 1 47 LYS H 0.000 . 4.040 3.751 3.578 3.847 . 0 0 "[ . 1 .]" 1
79 1 46 LEU H 1 47 LYS H 0.000 . 3.760 2.536 2.277 2.686 . 0 0 "[ . 1 .]" 1
80 1 47 LYS H 1 48 ALA H 0.000 . 3.270 2.295 2.128 2.413 . 0 0 "[ . 1 .]" 1
81 1 47 LYS H 1 47 LYS QB 0.000 . 3.160 2.299 2.255 2.526 . 0 0 "[ . 1 .]" 1
82 1 18 LEU H 1 19 VAL H 0.000 . 3.440 2.757 2.722 2.821 . 0 0 "[ . 1 .]" 1
83 1 18 LEU H 1 18 LEU HB2 0.000 . 3.660 2.261 2.244 2.322 . 0 0 "[ . 1 .]" 1
84 1 18 LEU H 1 18 LEU HG 0.000 . 3.420 3.446 3.173 3.524 0.104 5 0 "[ . 1 .]" 1
85 1 18 LEU H 1 18 LEU HB3 0.000 . 4.170 3.534 3.527 3.556 . 0 0 "[ . 1 .]" 1
86 1 50 THR H 1 50 THR MG 0.000 . 4.180 2.998 2.876 3.053 . 0 0 "[ . 1 .]" 1
87 1 10 ARG H 1 10 ARG HB3 0.000 . 3.620 3.492 3.371 3.651 0.031 5 0 "[ . 1 .]" 1
88 1 10 ARG H 1 10 ARG HG3 0.000 . 3.580 2.976 2.116 3.593 0.013 10 0 "[ . 1 .]" 1
89 1 10 ARG H 1 11 SER H 0.000 . 3.440 2.436 1.938 2.593 . 0 0 "[ . 1 .]" 1
90 1 14 PHE H 1 15 ARG H 0.000 . 3.690 3.037 2.960 3.122 . 0 0 "[ . 1 .]" 1
91 1 19 VAL H 1 20 SER H 0.000 . 3.880 2.826 2.740 2.980 . 0 0 "[ . 1 .]" 1
92 1 49 LYS H 1 50 THR H 0.000 . 3.670 2.071 2.027 2.188 . 0 0 "[ . 1 .]" 1
93 1 19 VAL HB 1 20 SER H 0.000 . 3.410 2.621 2.417 2.744 . 0 0 "[ . 1 .]" 1
94 1 54 TYR HA 1 57 LEU H 0.000 . 3.540 3.534 3.506 3.548 0.008 15 0 "[ . 1 .]" 1
95 1 54 TYR H 1 54 TYR QB 0.000 . 3.050 2.232 2.223 2.237 . 0 0 "[ . 1 .]" 1
96 1 11 SER H 1 14 PHE HB2 0.000 . 4.480 3.525 3.253 3.648 . 0 0 "[ . 1 .]" 1
97 1 58 VAL H 1 58 VAL HB 0.000 . 3.390 2.564 2.512 2.656 . 0 0 "[ . 1 .]" 1
98 1 55 LEU HA 1 58 VAL H 0.000 . 4.520 3.797 3.742 3.878 . 0 0 "[ . 1 .]" 1
99 1 9 TRP H 1 9 TRP HD1 0.000 . 3.680 1.943 1.940 1.946 . 0 0 "[ . 1 .]" 1
100 1 29 ALA H 1 29 ALA MB 0.000 . 3.200 2.226 2.124 2.247 . 0 0 "[ . 1 .]" 1
101 1 11 SER H 1 14 PHE H 0.000 . 4.580 4.513 4.263 4.608 0.028 5 0 "[ . 1 .]" 1
102 1 16 GLN H 1 16 GLN HB2 0.000 . 3.280 2.457 2.414 2.489 . 0 0 "[ . 1 .]" 1
103 1 16 GLN H 1 16 GLN QG 0.000 . 4.170 3.991 3.976 4.003 . 0 0 "[ . 1 .]" 1
104 1 15 ARG HB3 1 16 GLN H 0.000 . 4.040 2.548 2.431 2.652 . 0 0 "[ . 1 .]" 1
105 1 16 GLN H 1 16 GLN HB3 0.000 . 3.710 2.595 2.557 2.645 . 0 0 "[ . 1 .]" 1
106 1 16 GLN H 1 17 LYS H 0.000 . 3.680 2.967 2.891 3.013 . 0 0 "[ . 1 .]" 1
107 1 19 VAL H 1 19 VAL HB 0.000 . 3.370 2.359 2.324 2.417 . 0 0 "[ . 1 .]" 1
108 1 20 SER H 1 21 GLN H 0.000 . 3.690 2.735 2.645 2.828 . 0 0 "[ . 1 .]" 1
109 1 13 ALA H 1 14 PHE H 0.000 . 5.500 2.830 2.773 2.893 . 0 0 "[ . 1 .]" 1
110 1 23 GLU H 1 23 GLU HB2 0.000 . 3.470 2.166 2.151 2.190 . 0 0 "[ . 1 .]" 1
111 1 23 GLU H 1 23 GLU HB3 0.000 . 3.130 3.006 2.965 3.040 . 0 0 "[ . 1 .]" 1
112 1 27 ARG H 1 28 LYS H 0.000 . 4.080 2.934 2.891 2.964 . 0 0 "[ . 1 .]" 1
113 1 31 VAL H 1 31 VAL HB 0.000 . 4.120 3.794 3.543 3.909 . 0 0 "[ . 1 .]" 1
114 1 39 ASP H 1 40 MET H 0.000 . 3.610 2.539 2.458 2.716 . 0 0 "[ . 1 .]" 1
115 1 41 GLU H 1 42 SER H 0.000 . 3.410 2.750 2.651 2.849 . 0 0 "[ . 1 .]" 1
116 1 50 THR H 1 54 TYR H 0.000 . 4.430 3.720 3.630 3.813 . 0 0 "[ . 1 .]" 1
117 1 50 THR H 1 53 GLU H 0.000 . 4.620 3.190 3.093 3.254 . 0 0 "[ . 1 .]" 1
118 1 18 LEU H 1 18 LEU MD2 0.000 . 3.940 2.468 2.035 4.147 0.207 7 0 "[ . 1 .]" 1
119 1 17 LYS H 1 17 LYS HG2 0.000 . 4.130 4.135 4.127 4.142 0.012 13 0 "[ . 1 .]" 1
120 1 17 LYS H 1 17 LYS HB2 0.000 . 3.700 2.165 2.098 2.195 . 0 0 "[ . 1 .]" 1
121 1 16 GLN HB2 1 17 LYS H 0.000 . 4.820 3.654 3.625 3.754 . 0 0 "[ . 1 .]" 1
122 1 16 GLN HA 1 19 VAL H 0.000 . 3.850 3.591 3.560 3.670 . 0 0 "[ . 1 .]" 1
123 1 21 GLN H 1 21 GLN HG2 0.000 . 3.770 2.249 2.208 2.284 . 0 0 "[ . 1 .]" 1
124 1 22 ILE H 1 22 ILE HB 0.000 . 2.970 2.483 2.451 2.522 . 0 0 "[ . 1 .]" 1
125 1 20 SER HA 1 23 GLU H 0.000 . 4.470 3.445 3.365 3.497 . 0 0 "[ . 1 .]" 1
126 1 19 VAL H 1 19 VAL MG1 0.000 . 4.140 3.719 3.704 3.742 . 0 0 "[ . 1 .]" 1
127 1 22 ILE H 1 22 ILE HG12 0.000 . 3.950 3.692 3.526 3.858 . 0 0 "[ . 1 .]" 1
128 1 22 ILE HG13 1 23 GLU H 0.000 . 5.190 4.465 4.407 4.527 . 0 0 "[ . 1 .]" 1
129 1 23 GLU HB2 1 24 ASP H 0.000 . 4.400 3.550 3.493 3.656 . 0 0 "[ . 1 .]" 1
130 1 23 GLU HB3 1 24 ASP H 0.000 . 3.560 2.921 2.825 3.010 . 0 0 "[ . 1 .]" 1
131 1 31 VAL H 1 31 VAL MG2 0.000 . 3.600 2.159 1.894 2.406 . 0 0 "[ . 1 .]" 1
132 1 31 VAL H 1 31 VAL MG1 0.000 . 4.700 3.252 3.114 3.601 . 0 0 "[ . 1 .]" 1
133 1 29 ALA MB 1 30 GLY H 0.000 . 4.300 2.874 2.820 3.021 . 0 0 "[ . 1 .]" 1
134 1 29 ALA MB 1 31 VAL H 0.000 . 3.980 3.934 3.386 3.992 0.012 6 0 "[ . 1 .]" 1
135 1 39 ASP H 1 39 ASP HB3 0.000 . 3.490 3.443 3.375 3.506 0.016 3 0 "[ . 1 .]" 1
136 1 39 ASP H 1 39 ASP HB2 0.000 . 4.310 2.146 2.092 2.203 . 0 0 "[ . 1 .]" 1
137 1 45 PHE H 1 45 PHE HB2 0.000 . 3.470 2.300 2.225 2.455 . 0 0 "[ . 1 .]" 1
138 1 45 PHE H 1 45 PHE HB3 0.000 . 3.460 2.794 2.626 2.894 . 0 0 "[ . 1 .]" 1
139 1 44 VAL H 1 44 VAL HB 0.000 . 3.500 2.667 2.626 2.699 . 0 0 "[ . 1 .]" 1
140 1 38 LYS QB 1 39 ASP H 0.000 . 3.600 2.575 2.338 2.680 . 0 0 "[ . 1 .]" 1
141 1 45 PHE H 1 46 LEU H 0.000 . 3.870 2.817 2.546 2.917 . 0 0 "[ . 1 .]" 1
142 1 44 VAL H 1 44 VAL MG1 0.000 . 3.810 3.759 3.756 3.768 . 0 0 "[ . 1 .]" 1
143 1 44 VAL H 1 44 VAL MG2 0.000 . 3.830 2.094 2.057 2.167 . 0 0 "[ . 1 .]" 1
144 1 44 VAL MG1 1 45 PHE H 0.000 . 4.240 3.619 3.505 3.736 . 0 0 "[ . 1 .]" 1
145 1 44 VAL MG2 1 45 PHE H 0.000 . 4.150 3.702 3.625 3.765 . 0 0 "[ . 1 .]" 1
146 1 44 VAL HB 1 45 PHE H 0.000 . 3.960 2.554 2.395 2.723 . 0 0 "[ . 1 .]" 1
147 1 44 VAL HA 1 45 PHE H 0.000 . 4.120 3.540 3.517 3.560 . 0 0 "[ . 1 .]" 1
148 1 47 LYS H 1 47 LYS QG 0.000 . 3.990 3.870 2.530 4.012 0.022 7 0 "[ . 1 .]" 1
149 1 47 LYS QG 1 48 ALA H 0.000 . 4.840 3.944 2.502 4.568 . 0 0 "[ . 1 .]" 1
150 1 49 LYS H 1 49 LYS HB3 0.000 . 4.340 3.423 3.409 3.447 . 0 0 "[ . 1 .]" 1
151 1 49 LYS H 1 49 LYS HG3 0.000 . 5.210 3.905 3.493 4.285 . 0 0 "[ . 1 .]" 1
152 1 49 LYS H 1 49 LYS HB2 0.000 . 3.810 2.263 2.201 2.292 . 0 0 "[ . 1 .]" 1
153 1 49 LYS H 1 49 LYS HG2 0.000 . 5.130 4.622 4.291 4.702 . 0 0 "[ . 1 .]" 1
154 1 62 ILE H 1 62 ILE MD 0.000 . 4.390 3.621 3.598 3.679 . 0 0 "[ . 1 .]" 1
155 1 62 ILE H 1 62 ILE HB 0.000 . 3.520 2.395 2.367 2.449 . 0 0 "[ . 1 .]" 1
156 1 64 HIS H 1 64 HIS HB2 0.000 . 3.860 2.120 2.101 2.144 . 0 0 "[ . 1 .]" 1
157 1 65 PHE H 1 65 PHE HB3 0.000 . 4.160 3.511 3.492 3.545 . 0 0 "[ . 1 .]" 1
158 1 59 ALA H 1 59 ALA MB 0.000 . 3.390 2.141 2.097 2.181 . 0 0 "[ . 1 .]" 1
159 1 58 VAL HB 1 59 ALA H 0.000 . 4.280 2.248 2.186 2.326 . 0 0 "[ . 1 .]" 1
160 1 59 ALA MB 1 60 ARG H 0.000 . 3.630 2.421 2.358 2.469 . 0 0 "[ . 1 .]" 1
161 1 60 ARG H 1 60 ARG QG 0.000 . 4.760 3.448 2.280 4.020 . 0 0 "[ . 1 .]" 1
162 1 54 TYR QB 1 55 LEU H 0.000 . 3.400 2.262 2.221 2.290 . 0 0 "[ . 1 .]" 1
163 1 51 ARG HG2 1 52 ASP H 0.000 . 3.490 2.458 2.226 2.664 . 0 0 "[ . 1 .]" 1
164 1 51 ARG H 1 51 ARG HG2 0.000 . 3.630 2.413 2.130 2.518 . 0 0 "[ . 1 .]" 1
165 1 51 ARG H 1 51 ARG HG3 0.000 . 3.780 3.722 3.605 3.786 0.006 10 0 "[ . 1 .]" 1
166 1 48 ALA MB 1 50 THR H 0.000 . 4.010 2.915 2.836 3.003 . 0 0 "[ . 1 .]" 1
167 1 49 LYS HB2 1 50 THR H 0.000 . 3.240 3.245 3.173 3.253 0.013 14 0 "[ . 1 .]" 1
168 1 49 LYS HB3 1 50 THR H 0.000 . 4.040 3.502 3.461 3.529 . 0 0 "[ . 1 .]" 1
169 1 48 ALA HA 1 49 LYS H 0.000 . 3.210 2.285 2.230 2.336 . 0 0 "[ . 1 .]" 1
170 1 46 LEU HA 1 48 ALA H 0.000 . 4.830 4.002 3.724 4.383 . 0 0 "[ . 1 .]" 1
171 1 46 LEU H 1 46 LEU MD2 0.000 . 5.500 4.089 3.983 4.254 . 0 0 "[ . 1 .]" 1
172 1 46 LEU H 1 46 LEU MD1 0.000 . 4.950 3.438 3.204 3.631 . 0 0 "[ . 1 .]" 1
173 1 48 ALA MB 1 49 LYS H 0.000 . 4.170 2.757 2.606 2.874 . 0 0 "[ . 1 .]" 1
174 1 48 ALA HA 1 50 THR H 0.000 . 4.720 3.943 3.857 4.051 . 0 0 "[ . 1 .]" 1
175 1 50 THR HA 1 51 ARG H 0.000 . 4.130 2.467 2.432 2.496 . 0 0 "[ . 1 .]" 1
176 1 50 THR HB 1 51 ARG H 0.000 . 3.670 2.277 2.215 2.379 . 0 0 "[ . 1 .]" 1
177 1 51 ARG HG3 1 52 ASP H 0.000 . 5.010 3.008 2.808 3.376 . 0 0 "[ . 1 .]" 1
178 1 45 PHE HA 1 54 TYR QE 0.000 . 4.200 3.901 3.619 4.215 0.015 15 0 "[ . 1 .]" 1
179 1 45 PHE HB2 1 54 TYR QE 0.000 . 4.070 3.384 3.169 3.483 . 0 0 "[ . 1 .]" 1
180 1 54 TYR QB 1 54 TYR QE 0.000 . 3.760 3.937 3.936 3.938 0.178 9 0 "[ . 1 .]" 1
181 1 54 TYR QE 1 58 VAL MG1 0.000 . 3.690 3.667 3.587 3.715 0.025 15 0 "[ . 1 .]" 1
182 1 54 TYR HA 1 54 TYR QD 0.000 . 3.290 2.795 2.741 2.880 . 0 0 "[ . 1 .]" 1
183 1 54 TYR QB 1 54 TYR QD 0.000 . 2.990 2.136 2.136 2.137 . 0 0 "[ . 1 .]" 1
184 1 54 TYR QD 1 55 LEU HG 0.000 . 4.590 2.487 2.475 2.501 . 0 0 "[ . 1 .]" 1
185 1 54 TYR QD 1 55 LEU MD1 0.000 . 3.710 3.735 3.726 3.757 0.047 15 0 "[ . 1 .]" 1
186 1 54 TYR QD 1 58 VAL MG1 0.000 . 4.590 4.674 4.647 4.712 0.122 14 0 "[ . 1 .]" 1
187 1 9 TRP HZ3 1 45 PHE QD 0.000 . 4.240 2.898 2.631 3.141 . 0 0 "[ . 1 .]" 1
188 1 9 TRP HZ3 1 45 PHE QE 0.000 . 4.240 3.486 3.227 3.731 . 0 0 "[ . 1 .]" 1
189 1 10 ARG HA 1 45 PHE QD 0.000 . 5.280 4.886 4.610 5.034 . 0 0 "[ . 1 .]" 1
190 1 45 PHE QD 1 46 LEU HG 0.000 . 5.110 3.405 3.172 3.495 . 0 0 "[ . 1 .]" 1
191 1 45 PHE HB3 1 45 PHE QE 0.000 . 4.960 4.417 4.392 4.441 . 0 0 "[ . 1 .]" 1
192 1 65 PHE HB3 1 65 PHE QE 0.000 . 4.260 4.469 4.446 4.487 0.227 14 0 "[ . 1 .]" 1
193 1 14 PHE QD 1 54 TYR QE 0.000 . 3.780 3.524 3.314 3.671 . 0 0 "[ . 1 .]" 1
194 1 14 PHE QE 1 54 TYR QE 0.000 . 3.380 3.323 2.924 3.389 0.009 15 0 "[ . 1 .]" 1
195 1 45 PHE QD 1 54 TYR QD 0.000 . 4.700 3.784 3.574 3.987 . 0 0 "[ . 1 .]" 1
196 1 45 PHE QE 1 54 TYR QD 0.000 . 4.900 4.917 4.880 4.938 0.038 15 0 "[ . 1 .]" 1
197 1 9 TRP HE3 1 45 PHE QD 0.000 . 5.050 3.758 3.518 3.929 . 0 0 "[ . 1 .]" 1
198 1 14 PHE QE 1 55 LEU MD1 0.000 . 4.330 3.083 2.870 3.321 . 0 0 "[ . 1 .]" 1
199 1 14 PHE HZ 1 55 LEU MD1 0.000 . 4.290 2.292 1.959 2.685 . 0 0 "[ . 1 .]" 1
200 1 45 PHE QD 1 46 LEU MD1 0.000 . 4.750 4.716 4.572 4.761 0.011 7 0 "[ . 1 .]" 1
201 1 9 TRP HZ3 1 45 PHE HZ 0.000 . 4.840 4.719 4.486 4.864 0.024 15 0 "[ . 1 .]" 1
202 1 45 PHE QD 1 54 TYR QE 0.000 . 4.260 3.626 3.426 3.794 . 0 0 "[ . 1 .]" 1
203 1 36 SER HA 1 36 SER HB2 0.000 . 2.780 2.364 2.344 2.421 . 0 0 "[ . 1 .]" 1
204 1 36 SER HA 1 36 SER HB3 0.000 . 2.900 3.014 3.008 3.027 0.127 11 0 "[ . 1 .]" 1
205 1 36 SER HA 1 39 ASP HB2 0.000 . 4.620 4.583 4.520 4.652 0.032 14 0 "[ . 1 .]" 1
206 1 35 LYS HB3 1 36 SER HA 0.000 . 4.310 4.427 4.363 4.443 0.133 8 0 "[ . 1 .]" 1
207 1 35 LYS HA 1 35 LYS HB2 0.000 . 2.600 2.693 2.666 2.876 0.276 14 0 "[ . 1 .]" 1
208 1 49 LYS HA 1 49 LYS HG3 0.000 . 3.010 2.189 2.059 2.758 . 0 0 "[ . 1 .]" 1
209 1 49 LYS HA 1 49 LYS HB2 0.000 . 2.910 2.935 2.929 2.941 0.031 15 0 "[ . 1 .]" 1
210 1 69 HIS HA 1 69 HIS HB3 0.000 . 3.040 3.019 3.010 3.026 . 0 0 "[ . 1 .]" 1
211 1 70 ASN HA 1 70 ASN QB 0.000 . 2.710 2.417 2.295 2.540 . 0 0 "[ . 1 .]" 1
212 1 39 ASP HA 1 39 ASP HB2 0.000 . 3.030 2.951 2.913 2.985 . 0 0 "[ . 1 .]" 1
213 1 39 ASP HA 1 39 ASP HB3 0.000 . 2.760 2.716 2.652 2.777 0.017 11 0 "[ . 1 .]" 1
214 1 73 SER HA 1 73 SER HB2 0.000 . 3.140 2.868 2.434 3.028 . 0 0 "[ . 1 .]" 1
215 1 50 THR HB 1 50 THR MG 0.000 . 2.550 2.134 2.128 2.135 . 0 0 "[ . 1 .]" 1
216 1 43 HIS HA 1 43 HIS HB2 0.000 . 2.540 2.482 2.401 2.538 . 0 0 "[ . 1 .]" 1
217 1 43 HIS HA 1 46 LEU HB2 0.000 . 3.370 3.042 2.739 3.190 . 0 0 "[ . 1 .]" 1
218 1 6 GLU HA 1 6 GLU QG 0.000 . 3.430 2.291 2.012 3.319 . 0 0 "[ . 1 .]" 1
219 1 6 GLU HA 1 6 GLU HB2 0.000 . 3.010 2.875 2.548 3.014 0.004 9 0 "[ . 1 .]" 1
220 1 14 PHE QD 1 15 ARG HA 0.000 . 3.570 3.206 3.106 3.298 . 0 0 "[ . 1 .]" 1
221 1 15 ARG HA 1 18 LEU HB2 0.000 . 3.560 2.596 2.536 2.794 . 0 0 "[ . 1 .]" 1
222 1 15 ARG HA 1 15 ARG HB2 0.000 . 2.850 2.527 2.525 2.532 . 0 0 "[ . 1 .]" 1
223 1 24 ASP HA 1 24 ASP HB2 0.000 . 2.860 2.554 2.511 2.592 . 0 0 "[ . 1 .]" 1
224 1 24 ASP HA 1 24 ASP HB3 0.000 . 3.040 3.015 3.006 3.023 . 0 0 "[ . 1 .]" 1
225 1 74 GLN HA 1 74 GLN QG 0.000 . 4.020 2.512 2.037 3.337 . 0 0 "[ . 1 .]" 1
226 1 7 THR HA 1 7 THR MG 0.000 . 2.970 2.196 1.980 2.445 . 0 0 "[ . 1 .]" 1
227 1 31 VAL HA 1 31 VAL HB 0.000 . 3.000 2.562 2.446 2.925 . 0 0 "[ . 1 .]" 1
228 1 31 VAL HA 1 31 VAL MG1 0.000 . 2.950 2.156 1.973 2.261 . 0 0 "[ . 1 .]" 1
229 1 29 ALA HA 1 69 HIS HB3 0.000 . 3.550 3.012 2.468 3.562 0.012 14 0 "[ . 1 .]" 1
230 1 29 ALA HA 1 29 ALA MB 0.000 . 2.560 2.125 2.105 2.128 . 0 0 "[ . 1 .]" 1
231 1 72 LYS HA 1 72 LYS HG3 0.000 . 3.430 2.502 2.105 3.238 . 0 0 "[ . 1 .]" 1
232 1 72 LYS HA 1 72 LYS HB2 0.000 . 2.760 2.704 2.641 2.757 . 0 0 "[ . 1 .]" 1
233 1 64 HIS HA 1 64 HIS HB3 0.000 . 2.850 2.943 2.932 2.959 0.109 10 0 "[ . 1 .]" 1
234 1 64 HIS HA 1 64 HIS HB2 0.000 . 2.870 2.735 2.705 2.752 . 0 0 "[ . 1 .]" 1
235 1 63 ILE MG 1 64 HIS HA 0.000 . 3.620 3.272 3.212 3.349 . 0 0 "[ . 1 .]" 1
236 1 45 PHE HA 1 45 PHE QD 0.000 . 3.210 2.988 2.818 3.092 . 0 0 "[ . 1 .]" 1
237 1 40 MET HA 1 40 MET HG2 0.000 . 3.340 3.136 2.350 3.363 0.023 10 0 "[ . 1 .]" 1
238 1 40 MET HA 1 40 MET HG3 0.000 . 2.820 2.145 2.037 2.679 . 0 0 "[ . 1 .]" 1
239 1 40 MET HA 1 40 MET HB3 0.000 . 2.670 2.744 2.722 2.796 0.126 14 0 "[ . 1 .]" 1
240 1 45 PHE HA 1 48 ALA MB 0.000 . 3.700 2.742 2.541 3.100 . 0 0 "[ . 1 .]" 1
241 1 65 PHE HA 1 65 PHE QD 0.000 . 2.780 2.283 2.034 2.556 . 0 0 "[ . 1 .]" 1
242 1 65 PHE HA 1 65 PHE HB2 0.000 . 3.060 2.985 2.971 3.003 . 0 0 "[ . 1 .]" 1
243 1 52 ASP HA 1 52 ASP HB2 0.000 . 2.870 2.622 2.379 2.869 . 0 0 "[ . 1 .]" 1
244 1 18 LEU HA 1 18 LEU HB2 0.000 . 2.890 2.986 2.983 2.996 0.106 7 0 "[ . 1 .]" 1
245 1 65 PHE HA 1 68 ILE HB 0.000 . 3.190 3.012 2.921 3.086 . 0 0 "[ . 1 .]" 1
246 1 52 ASP HA 1 55 LEU HB2 0.000 . 2.680 2.693 2.679 2.706 0.026 8 0 "[ . 1 .]" 1
247 1 65 PHE HA 1 68 ILE HG12 0.000 . 4.640 4.641 4.603 4.648 0.008 12 0 "[ . 1 .]" 1
248 1 18 LEU HA 1 18 LEU HB3 0.000 . 3.000 2.612 2.582 2.621 . 0 0 "[ . 1 .]" 1
249 1 18 LEU HA 1 18 LEU MD2 0.000 . 3.190 2.222 1.929 3.378 0.188 14 0 "[ . 1 .]" 1
250 1 36 SER HB2 1 39 ASP HB2 0.000 . 4.470 4.471 4.378 4.507 0.037 14 0 "[ . 1 .]" 1
251 1 21 GLN HA 1 24 ASP HB2 0.000 . 3.240 3.292 3.282 3.308 0.068 12 0 "[ . 1 .]" 1
252 1 21 GLN HA 1 24 ASP HB3 0.000 . 2.980 3.036 3.024 3.059 0.079 12 0 "[ . 1 .]" 1
253 1 47 LYS HA 1 47 LYS QB 0.000 . 2.580 2.345 2.167 2.454 . 0 0 "[ . 1 .]" 1
254 1 14 PHE HA 1 17 LYS QD 0.000 . 3.560 3.562 3.557 3.567 0.007 3 0 "[ . 1 .]" 1
255 1 14 PHE HA 1 14 PHE QD 0.000 . 3.300 3.014 2.870 3.049 . 0 0 "[ . 1 .]" 1
256 1 14 PHE HA 1 14 PHE HB3 0.000 . 2.930 2.992 2.984 3.002 0.072 14 0 "[ . 1 .]" 1
257 1 14 PHE HA 1 17 LYS HB2 0.000 . 3.660 3.250 3.041 3.366 . 0 0 "[ . 1 .]" 1
258 1 13 ALA MB 1 14 PHE HA 0.000 . 4.450 3.725 3.618 3.844 . 0 0 "[ . 1 .]" 1
259 1 19 VAL MG2 1 38 LYS HA 0.000 . 3.210 3.228 3.140 3.257 0.047 1 0 "[ . 1 .]" 1
260 1 61 LEU HA 1 64 HIS HB2 0.000 . 3.070 3.087 3.030 3.106 0.036 5 0 "[ . 1 .]" 1
261 1 61 LEU HA 1 64 HIS HB3 0.000 . 3.540 3.573 3.567 3.587 0.047 5 0 "[ . 1 .]" 1
262 1 57 LEU HA 1 57 LEU MD2 0.000 . 2.500 2.241 1.985 2.565 0.065 15 0 "[ . 1 .]" 1
263 1 25 ALA HA 1 25 ALA MB 0.000 . 2.500 2.106 2.082 2.127 . 0 0 "[ . 1 .]" 1
264 1 66 ARG HA 1 66 ARG HG3 0.000 . 2.550 2.507 2.351 2.559 0.009 11 0 "[ . 1 .]" 1
265 1 13 ALA HA 1 16 GLN HB2 0.000 . 3.410 3.419 3.413 3.427 0.017 10 0 "[ . 1 .]" 1
266 1 13 ALA HA 1 16 GLN HB3 0.000 . 3.430 2.492 2.473 2.512 . 0 0 "[ . 1 .]" 1
267 1 13 ALA HA 1 13 ALA MB 0.000 . 2.430 2.105 2.082 2.128 . 0 0 "[ . 1 .]" 1
268 1 27 ARG HA 1 27 ARG QD 0.000 . 3.380 3.353 3.306 3.395 0.015 15 0 "[ . 1 .]" 1
269 1 44 VAL MG1 1 54 TYR HA 0.000 . 3.630 2.467 2.277 2.652 . 0 0 "[ . 1 .]" 1
270 1 54 TYR HA 1 54 TYR QB 0.000 . 2.710 2.302 2.293 2.309 . 0 0 "[ . 1 .]" 1
271 1 48 ALA MB 1 54 TYR HA 0.000 . 2.930 2.420 2.253 2.656 . 0 0 "[ . 1 .]" 1
272 1 54 TYR HA 1 58 VAL MG2 0.000 . 3.320 3.333 3.312 3.351 0.031 13 0 "[ . 1 .]" 1
273 1 59 ALA HA 1 62 ILE HB 0.000 . 2.970 2.821 2.725 2.866 . 0 0 "[ . 1 .]" 1
274 1 28 LYS HA 1 28 LYS HG3 0.000 . 3.420 2.697 2.157 3.410 . 0 0 "[ . 1 .]" 1
275 1 36 SER HB3 1 39 ASP HB2 0.000 . 3.710 2.911 2.888 2.932 . 0 0 "[ . 1 .]" 1
276 1 41 GLU QB 1 42 SER HA 0.000 . 4.000 3.796 3.702 3.871 . 0 0 "[ . 1 .]" 1
277 1 28 LYS HA 1 28 LYS HG2 0.000 . 3.190 2.483 2.083 2.942 . 0 0 "[ . 1 .]" 1
278 1 22 ILE MG 1 37 SER HA 0.000 . 3.170 2.816 1.985 3.200 0.030 13 0 "[ . 1 .]" 1
279 1 60 ARG HA 1 60 ARG QD 0.000 . 4.000 3.881 3.639 3.996 . 0 0 "[ . 1 .]" 1
280 1 60 ARG HA 1 63 ILE MG 0.000 . 4.040 4.006 3.943 4.101 0.061 13 0 "[ . 1 .]" 1
281 1 53 GLU HA 1 53 GLU HG3 0.000 . 3.180 2.334 2.246 2.402 . 0 0 "[ . 1 .]" 1
282 1 46 LEU HA 1 46 LEU HG 0.000 . 3.750 2.584 2.535 2.659 . 0 0 "[ . 1 .]" 1
283 1 46 LEU HA 1 46 LEU HB2 0.000 . 3.030 2.980 2.964 2.997 . 0 0 "[ . 1 .]" 1
284 1 46 LEU HA 1 46 LEU HB3 0.000 . 3.050 2.627 2.579 2.669 . 0 0 "[ . 1 .]" 1
285 1 23 GLU HA 1 23 GLU HB2 0.000 . 2.880 2.725 2.703 2.744 . 0 0 "[ . 1 .]" 1
286 1 23 GLU HA 1 26 MET HB2 0.000 . 2.980 2.936 2.714 2.998 0.018 7 0 "[ . 1 .]" 1
287 1 22 ILE MG 1 23 GLU HA 0.000 . 4.240 3.458 3.361 3.548 . 0 0 "[ . 1 .]" 1
288 1 44 VAL HA 1 47 LYS QB 0.000 . 3.230 2.382 2.229 3.321 0.091 15 0 "[ . 1 .]" 1
289 1 44 VAL HA 1 44 VAL MG1 0.000 . 2.680 2.317 2.189 2.359 . 0 0 "[ . 1 .]" 1
290 1 16 GLN HA 1 16 GLN HB2 0.000 . 2.740 2.468 2.456 2.484 . 0 0 "[ . 1 .]" 1
291 1 16 GLN HA 1 19 VAL MG2 0.000 . 3.080 2.993 2.883 3.101 0.021 10 0 "[ . 1 .]" 1
292 1 16 GLN HA 1 19 VAL MG1 0.000 . 3.740 3.913 3.867 3.952 0.212 8 0 "[ . 1 .]" 1
293 1 10 ARG HA 1 10 ARG QD 0.000 . 4.180 3.981 3.904 4.210 0.030 8 0 "[ . 1 .]" 1
294 1 10 ARG HA 1 10 ARG HB2 0.000 . 3.110 2.971 2.921 3.024 . 0 0 "[ . 1 .]" 1
295 1 10 ARG HA 1 10 ARG HG2 0.000 . 3.520 2.623 2.534 2.817 . 0 0 "[ . 1 .]" 1
296 1 41 GLU HA 1 41 GLU HG3 0.000 . 3.130 2.867 2.339 3.330 0.200 14 0 "[ . 1 .]" 1
297 1 22 ILE MD 1 41 GLU HA 0.000 . 3.190 3.042 2.766 3.227 0.037 1 0 "[ . 1 .]" 1
298 1 68 ILE HA 1 68 ILE HB 0.000 . 3.030 3.020 3.020 3.021 . 0 0 "[ . 1 .]" 1
299 1 68 ILE HA 1 68 ILE HG12 0.000 . 3.320 2.848 2.828 2.874 . 0 0 "[ . 1 .]" 1
300 1 68 ILE HA 1 68 ILE HG13 0.000 . 3.470 2.652 2.623 2.671 . 0 0 "[ . 1 .]" 1
301 1 68 ILE HA 1 68 ILE MG 0.000 . 3.060 2.340 2.317 2.380 . 0 0 "[ . 1 .]" 1
302 1 55 LEU HA 1 55 LEU HG 0.000 . 3.460 2.517 2.489 2.540 . 0 0 "[ . 1 .]" 1
303 1 55 LEU HA 1 55 LEU HB2 0.000 . 2.810 2.979 2.964 2.990 0.180 15 0 "[ . 1 .]" 1
304 1 55 LEU HA 1 55 LEU HB3 0.000 . 3.020 2.630 2.601 2.668 . 0 0 "[ . 1 .]" 1
305 1 55 LEU HA 1 58 VAL MG2 0.000 . 4.030 2.865 2.754 2.950 . 0 0 "[ . 1 .]" 1
306 1 34 SER HA 1 34 SER HB3 0.000 . 2.970 2.505 2.257 2.830 . 0 0 "[ . 1 .]" 1
307 1 12 THR HA 1 12 THR MG 0.000 . 3.120 2.202 2.197 2.207 . 0 0 "[ . 1 .]" 1
308 1 45 PHE HB2 1 45 PHE QD 0.000 . 3.000 2.349 2.289 2.429 . 0 0 "[ . 1 .]" 1
309 1 42 SER HA 1 45 PHE HB2 0.000 . 3.420 3.273 3.076 3.426 0.006 15 0 "[ . 1 .]" 1
310 1 63 ILE HA 1 66 ARG HB2 0.000 . 2.890 2.903 2.872 2.941 0.051 10 0 "[ . 1 .]" 1
311 1 63 ILE HA 1 63 ILE HG12 0.000 . 3.270 2.981 2.939 3.046 . 0 0 "[ . 1 .]" 1
312 1 63 ILE HA 1 63 ILE MG 0.000 . 2.850 2.414 2.389 2.451 . 0 0 "[ . 1 .]" 1
313 1 62 ILE HA 1 65 PHE QD 0.000 . 3.600 2.326 2.245 2.376 . 0 0 "[ . 1 .]" 1
314 1 62 ILE HA 1 65 PHE HB3 0.000 . 4.110 4.235 4.218 4.311 0.201 10 0 "[ . 1 .]" 1
315 1 58 VAL HA 1 58 VAL HB 0.000 . 2.950 3.021 3.020 3.022 0.072 12 0 "[ . 1 .]" 1
316 1 44 VAL MG2 1 58 VAL HA 0.000 . 4.040 3.699 3.444 4.049 0.009 15 0 "[ . 1 .]" 1
317 1 58 VAL HA 1 58 VAL MG2 0.000 . 2.700 2.392 2.378 2.406 . 0 0 "[ . 1 .]" 1
318 1 58 VAL HA 1 58 VAL MG1 0.000 . 2.850 2.319 2.247 2.383 . 0 0 "[ . 1 .]" 1
319 1 9 TRP HA 1 9 TRP HE3 0.000 . 4.760 4.521 4.463 4.563 . 0 0 "[ . 1 .]" 1
320 1 9 TRP HA 1 9 TRP HB2 0.000 . 2.970 2.384 2.365 2.416 . 0 0 "[ . 1 .]" 1
321 1 19 VAL HA 1 22 ILE HB 0.000 . 3.060 3.127 3.111 3.140 0.080 12 0 "[ . 1 .]" 1
322 1 19 VAL HA 1 19 VAL MG2 0.000 . 2.850 2.130 2.083 2.195 . 0 0 "[ . 1 .]" 1
323 1 19 VAL HA 1 19 VAL MG1 0.000 . 2.680 2.530 2.513 2.551 . 0 0 "[ . 1 .]" 1
324 1 14 PHE HB2 1 14 PHE QD 0.000 . 3.070 2.288 2.263 2.408 . 0 0 "[ . 1 .]" 1
325 1 26 MET HA 1 26 MET HG2 0.000 . 3.280 2.276 2.049 2.885 . 0 0 "[ . 1 .]" 1
326 1 26 MET HA 1 29 ALA MB 0.000 . 2.960 1.991 1.953 2.106 . 0 0 "[ . 1 .]" 1
327 1 26 MET HA 1 26 MET HG3 0.000 . 3.200 2.778 2.186 3.088 . 0 0 "[ . 1 .]" 1
328 1 25 ALA MB 1 65 PHE HB2 0.000 . 3.340 2.677 2.029 3.010 . 0 0 "[ . 1 .]" 1
329 1 65 PHE HB2 1 65 PHE QD 0.000 . 3.070 2.271 2.263 2.280 . 0 0 "[ . 1 .]" 1
330 1 45 PHE HB3 1 45 PHE QD 0.000 . 2.920 2.434 2.344 2.522 . 0 0 "[ . 1 .]" 1
331 1 14 PHE HB3 1 14 PHE QD 0.000 . 3.130 2.546 2.360 2.635 . 0 0 "[ . 1 .]" 1
332 1 19 VAL MG1 1 38 LYS QE 0.000 . 3.940 3.108 2.090 3.658 . 0 0 "[ . 1 .]" 1
333 1 35 LYS HB2 1 39 ASP HB2 0.000 . 3.810 3.835 3.737 3.855 0.045 15 0 "[ . 1 .]" 1
334 1 25 ALA MB 1 65 PHE HB3 0.000 . 3.410 2.893 2.331 3.204 . 0 0 "[ . 1 .]" 1
335 1 40 MET HB2 1 40 MET HG2 0.000 . 3.060 2.820 2.723 3.007 . 0 0 "[ . 1 .]" 1
336 1 40 MET HB3 1 40 MET HG2 0.000 . 2.920 2.245 2.204 2.485 . 0 0 "[ . 1 .]" 1
337 1 40 MET HG2 1 61 LEU MD1 0.000 . 3.950 2.886 2.460 3.199 . 0 0 "[ . 1 .]" 1
338 1 8 ASP HA 1 8 ASP HB3 0.000 . 2.940 2.355 2.326 2.402 . 0 0 "[ . 1 .]" 1
339 1 36 SER HB3 1 39 ASP HB3 0.000 . 4.600 4.622 4.604 4.633 0.033 11 0 "[ . 1 .]" 1
340 1 18 LEU HA 1 21 GLN HG2 0.000 . 3.170 2.598 2.395 2.768 . 0 0 "[ . 1 .]" 1
341 1 40 MET HB2 1 40 MET HG3 0.000 . 3.090 2.809 2.397 2.922 . 0 0 "[ . 1 .]" 1
342 1 40 MET HG3 1 61 LEU MD1 0.000 . 4.270 4.194 3.785 4.289 0.019 5 0 "[ . 1 .]" 1
343 1 10 ARG HB2 1 10 ARG QD 0.000 . 3.280 2.332 2.051 2.860 . 0 0 "[ . 1 .]" 1
344 1 10 ARG HB3 1 10 ARG QD 0.000 . 3.160 2.593 2.218 2.985 . 0 0 "[ . 1 .]" 1
345 1 22 ILE MD 1 41 GLU HG2 0.000 . 4.000 2.097 1.878 2.403 . 0 0 "[ . 1 .]" 1
346 1 41 GLU HA 1 41 GLU HG2 0.000 . 3.520 2.718 2.075 3.299 . 0 0 "[ . 1 .]" 1
347 1 19 VAL MG2 1 41 GLU HG2 0.000 . 3.210 2.899 2.271 3.428 0.218 14 0 "[ . 1 .]" 1
348 1 44 VAL HA 1 44 VAL HB 0.000 . 2.960 3.018 3.014 3.020 0.060 10 0 "[ . 1 .]" 1
349 1 44 VAL HB 1 44 VAL MG1 0.000 . 2.490 2.095 2.089 2.129 . 0 0 "[ . 1 .]" 1
350 1 13 ALA HA 1 16 GLN QG 0.000 . 3.750 3.920 3.892 3.951 0.201 7 0 "[ . 1 .]" 1
351 1 18 LEU HB2 1 18 LEU MD1 0.000 . 3.220 2.882 2.048 3.092 . 0 0 "[ . 1 .]" 1
352 1 9 TRP HB2 1 9 TRP HD1 0.000 . 3.980 3.892 3.888 3.894 . 0 0 "[ . 1 .]" 1
353 1 9 TRP HB2 1 9 TRP HE3 0.000 . 3.630 2.406 2.399 2.413 . 0 0 "[ . 1 .]" 1
354 1 18 LEU HA 1 21 GLN HG3 0.000 . 3.410 3.461 3.441 3.472 0.062 15 0 "[ . 1 .]" 1
355 1 53 GLU HA 1 53 GLU HG2 0.000 . 3.300 3.278 3.232 3.315 0.015 15 0 "[ . 1 .]" 1
356 1 23 GLU HA 1 23 GLU HG2 0.000 . 3.520 2.077 2.057 2.126 . 0 0 "[ . 1 .]" 1
357 1 19 VAL MG2 1 41 GLU HG3 0.000 . 3.590 2.976 2.166 3.657 0.067 1 0 "[ . 1 .]" 1
358 1 22 ILE HG12 1 41 GLU HG3 0.000 . 4.570 4.438 3.639 4.531 . 0 0 "[ . 1 .]" 1
359 1 20 SER HA 1 23 GLU HB2 0.000 . 2.780 2.848 2.832 2.868 0.088 9 0 "[ . 1 .]" 1
360 1 23 GLU HA 1 23 GLU HG3 0.000 . 3.400 3.281 3.120 3.383 . 0 0 "[ . 1 .]" 1
361 1 16 GLN HA 1 19 VAL HB 0.000 . 2.700 2.672 2.654 2.705 0.005 11 0 "[ . 1 .]" 1
362 1 16 GLN QG 1 19 VAL HB 0.000 . 3.970 3.991 3.899 4.021 0.051 3 0 "[ . 1 .]" 1
363 1 57 LEU HB2 1 57 LEU MD1 0.000 . 2.860 2.287 1.966 2.452 . 0 0 "[ . 1 .]" 1
364 1 54 TYR HA 1 57 LEU HB2 0.000 . 3.080 2.914 2.830 2.974 . 0 0 "[ . 1 .]" 1
365 1 48 ALA MB 1 53 GLU HG3 0.000 . 4.240 3.690 3.522 3.798 . 0 0 "[ . 1 .]" 1
366 1 18 LEU HA 1 21 GLN QB 0.000 . 2.890 2.871 2.684 2.933 0.043 1 0 "[ . 1 .]" 1
367 1 21 GLN QB 1 62 ILE MD 0.000 . 3.420 2.166 2.108 2.248 . 0 0 "[ . 1 .]" 1
368 1 61 LEU HA 1 61 LEU HB2 0.000 . 3.110 2.483 2.367 2.832 . 0 0 "[ . 1 .]" 1
369 1 58 VAL HA 1 61 LEU HB2 0.000 . 3.590 3.515 2.847 3.678 0.088 11 0 "[ . 1 .]" 1
370 1 61 LEU HB2 1 61 LEU MD1 0.000 . 2.990 2.172 2.001 3.128 0.138 10 0 "[ . 1 .]" 1
371 1 16 GLN HB3 1 16 GLN QG 0.000 . 2.700 2.422 2.410 2.430 . 0 0 "[ . 1 .]" 1
372 1 48 ALA HA 1 53 GLU QB 0.000 . 2.700 2.728 2.713 2.767 0.067 15 0 "[ . 1 .]" 1
373 1 56 SER QB 1 57 LEU HG 0.000 . 3.490 3.395 3.269 3.530 0.040 7 0 "[ . 1 .]" 1
374 1 12 THR HA 1 15 ARG HB2 0.000 . 4.280 4.326 4.317 4.339 0.059 10 0 "[ . 1 .]" 1
375 1 57 LEU HA 1 57 LEU HG 0.000 . 3.220 2.915 2.469 3.241 0.021 6 0 "[ . 1 .]" 1
376 1 68 ILE HB 1 68 ILE MG 0.000 . 2.620 2.111 2.085 2.126 . 0 0 "[ . 1 .]" 1
377 1 55 LEU HA 1 58 VAL HB 0.000 . 3.100 2.752 2.677 2.866 . 0 0 "[ . 1 .]" 1
378 1 17 LYS HA 1 17 LYS HB2 0.000 . 2.910 2.947 2.912 2.961 0.051 1 0 "[ . 1 .]" 1
379 1 60 ARG HA 1 63 ILE HB 0.000 . 2.930 2.744 2.683 2.829 . 0 0 "[ . 1 .]" 1
380 1 17 LYS HA 1 17 LYS HB3 0.000 . 2.990 2.724 2.701 2.778 . 0 0 "[ . 1 .]" 1
381 1 72 LYS HA 1 72 LYS HB3 0.000 . 2.990 2.958 2.928 2.988 . 0 0 "[ . 1 .]" 1
382 1 27 ARG HA 1 27 ARG HG2 0.000 . 4.240 3.741 3.724 3.753 . 0 0 "[ . 1 .]" 1
383 1 62 ILE HB 1 62 ILE HG12 0.000 . 2.960 3.025 3.024 3.027 0.067 15 0 "[ . 1 .]" 1
384 1 18 LEU HA 1 18 LEU HG 0.000 . 3.740 3.406 2.291 3.686 . 0 0 "[ . 1 .]" 1
385 1 58 VAL HA 1 61 LEU HB3 0.000 . 3.670 3.010 2.587 3.748 0.078 15 0 "[ . 1 .]" 1
386 1 61 LEU HB3 1 61 LEU MD1 0.000 . 2.910 2.697 2.078 2.808 . 0 0 "[ . 1 .]" 1
387 1 35 LYS HB3 1 39 ASP HB2 0.000 . 3.770 2.261 2.221 2.371 . 0 0 "[ . 1 .]" 1
388 1 49 LYS HA 1 49 LYS QD 0.000 . 3.960 3.485 2.660 3.905 . 0 0 "[ . 1 .]" 1
389 1 60 ARG HA 1 60 ARG QG 0.000 . 3.420 2.270 2.050 2.485 . 0 0 "[ . 1 .]" 1
390 1 29 ALA MB 1 65 PHE QD 0.000 . 3.580 2.082 1.902 2.253 . 0 0 "[ . 1 .]" 1
391 1 29 ALA MB 1 31 VAL MG2 0.000 . 2.750 2.646 2.073 2.769 0.019 5 0 "[ . 1 .]" 1
392 1 27 ARG HA 1 27 ARG HG3 0.000 . 3.810 2.617 2.599 2.638 . 0 0 "[ . 1 .]" 1
393 1 9 TRP HE3 1 48 ALA MB 0.000 . 5.500 4.783 4.705 5.003 . 0 0 "[ . 1 .]" 1
394 1 48 ALA MB 1 49 LYS HA 0.000 . 4.450 4.116 4.078 4.229 . 0 0 "[ . 1 .]" 1
395 1 47 LYS HA 1 47 LYS QD 0.000 . 3.680 3.667 3.553 3.711 0.031 4 0 "[ . 1 .]" 1
396 1 48 ALA HA 1 48 ALA MB 0.000 . 2.440 2.086 2.082 2.100 . 0 0 "[ . 1 .]" 1
397 1 17 LYS HA 1 17 LYS HG2 0.000 . 3.520 2.594 2.371 2.692 . 0 0 "[ . 1 .]" 1
398 1 44 VAL HA 1 47 LYS QD 0.000 . 3.540 3.553 3.541 3.563 0.023 13 0 "[ . 1 .]" 1
399 1 48 ALA MB 1 54 TYR QB 0.000 . 2.760 2.090 1.998 2.306 . 0 0 "[ . 1 .]" 1
400 1 43 HIS HA 1 46 LEU HB3 0.000 . 4.570 4.544 4.198 4.585 0.015 10 0 "[ . 1 .]" 1
401 1 56 SER HA 1 59 ALA MB 0.000 . 2.930 2.936 2.883 2.971 0.041 10 0 "[ . 1 .]" 1
402 1 59 ALA HA 1 59 ALA MB 0.000 . 2.560 2.102 2.093 2.111 . 0 0 "[ . 1 .]" 1
403 1 18 LEU HB3 1 18 LEU MD2 0.000 . 3.620 2.906 2.059 3.121 . 0 0 "[ . 1 .]" 1
404 1 18 LEU HB3 1 18 LEU HG 0.000 . 2.970 2.688 2.669 2.742 . 0 0 "[ . 1 .]" 1
405 1 18 LEU HB3 1 18 LEU MD1 0.000 . 3.030 2.343 2.150 3.046 0.016 14 0 "[ . 1 .]" 1
406 1 72 LYS HA 1 72 LYS HG2 0.000 . 4.030 2.803 2.068 3.565 . 0 0 "[ . 1 .]" 1
407 1 35 LYS HA 1 35 LYS HG2 0.000 . 2.950 2.596 2.160 2.947 . 0 0 "[ . 1 .]" 1
408 1 35 LYS QE 1 35 LYS HG2 0.000 . 3.040 2.524 2.039 3.028 . 0 0 "[ . 1 .]" 1
409 1 52 ASP HA 1 55 LEU HB3 0.000 . 4.260 4.126 4.050 4.194 . 0 0 "[ . 1 .]" 1
410 1 47 LYS HA 1 47 LYS QG 0.000 . 3.060 2.449 2.181 3.391 0.331 15 0 "[ . 1 .]" 1
411 1 44 VAL HA 1 47 LYS QG 0.000 . 4.110 3.840 1.892 4.145 0.035 9 0 "[ . 1 .]" 1
412 1 17 LYS HA 1 17 LYS HG3 0.000 . 3.270 2.501 2.433 2.668 . 0 0 "[ . 1 .]" 1
413 1 57 LEU HA 1 57 LEU HB3 0.000 . 3.060 2.543 2.478 2.623 . 0 0 "[ . 1 .]" 1
414 1 57 LEU HB3 1 57 LEU MD1 0.000 . 2.890 2.403 2.173 2.749 . 0 0 "[ . 1 .]" 1
415 1 44 VAL HA 1 44 VAL MG2 0.000 . 2.880 2.415 2.402 2.447 . 0 0 "[ . 1 .]" 1
416 1 44 VAL MG1 1 57 LEU HB2 0.000 . 3.300 2.174 1.905 2.451 . 0 0 "[ . 1 .]" 1
417 1 19 VAL HA 1 22 ILE MG 0.000 . 4.800 4.428 4.415 4.445 . 0 0 "[ . 1 .]" 1
418 1 62 ILE HB 1 62 ILE MG 0.000 . 2.600 2.099 2.087 2.125 . 0 0 "[ . 1 .]" 1
419 1 63 ILE HG12 1 63 ILE MG 0.000 . 2.760 2.133 2.073 2.171 . 0 0 "[ . 1 .]" 1
420 1 59 ALA HA 1 62 ILE MG 0.000 . 3.940 4.105 4.055 4.128 0.188 4 0 "[ . 1 .]" 1
421 1 63 ILE HB 1 63 ILE MG 0.000 . 2.590 2.114 2.098 2.123 . 0 0 "[ . 1 .]" 1
422 1 19 VAL MG1 1 22 ILE HB 0.000 . 4.570 4.060 3.970 4.179 . 0 0 "[ . 1 .]" 1
423 1 19 VAL MG1 1 38 LYS HA 0.000 . 2.920 2.849 2.370 2.957 0.037 12 0 "[ . 1 .]" 1
424 1 55 LEU HA 1 58 VAL MG1 0.000 . 4.380 4.001 3.913 4.145 . 0 0 "[ . 1 .]" 1
425 1 62 ILE HA 1 62 ILE MG 0.000 . 3.060 2.465 2.404 2.514 . 0 0 "[ . 1 .]" 1
426 1 58 VAL HB 1 58 VAL MG2 0.000 . 2.540 2.091 2.085 2.099 . 0 0 "[ . 1 .]" 1
427 1 14 PHE HZ 1 55 LEU MD2 0.000 . 3.390 2.936 2.553 3.158 . 0 0 "[ . 1 .]" 1
428 1 14 PHE QE 1 55 LEU MD2 0.000 . 3.390 2.703 2.195 2.991 . 0 0 "[ . 1 .]" 1
429 1 55 LEU HA 1 55 LEU MD2 0.000 . 2.720 2.613 2.582 2.635 . 0 0 "[ . 1 .]" 1
430 1 55 LEU HB2 1 55 LEU MD2 0.000 . 3.410 3.114 3.107 3.124 . 0 0 "[ . 1 .]" 1
431 1 57 LEU MD2 1 57 LEU HG 0.000 . 2.550 2.115 2.102 2.127 . 0 0 "[ . 1 .]" 1
432 1 57 LEU HB2 1 57 LEU MD2 0.000 . 3.450 3.152 3.096 3.189 . 0 0 "[ . 1 .]" 1
433 1 57 LEU MD2 1 60 ARG QD 0.000 . 4.010 3.698 3.213 4.000 . 0 0 "[ . 1 .]" 1
434 1 12 THR MG 1 16 GLN QG 0.000 . 3.490 3.601 3.594 3.611 0.121 5 0 "[ . 1 .]" 1
435 1 20 SER HA 1 23 GLU HB3 0.000 . 3.150 3.205 3.184 3.227 0.077 14 0 "[ . 1 .]" 1
436 1 37 SER HA 1 40 MET HB3 0.000 . 3.580 3.632 3.617 3.670 0.090 14 0 "[ . 1 .]" 1
437 1 65 PHE HA 1 68 ILE MD 0.000 . 3.340 1.968 1.942 2.005 . 0 0 "[ . 1 .]" 1
438 1 41 GLU HA 1 44 VAL MG2 0.000 . 3.010 2.281 2.102 2.794 . 0 0 "[ . 1 .]" 1
439 1 41 GLU HA 1 44 VAL HB 0.000 . 3.000 2.976 2.860 3.053 0.053 10 0 "[ . 1 .]" 1
440 1 9 TRP HZ3 1 48 ALA MB 0.000 . 3.950 3.112 2.978 3.288 . 0 0 "[ . 1 .]" 1
441 1 9 TRP HH2 1 48 ALA MB 0.000 . 3.880 2.486 2.260 2.692 . 0 0 "[ . 1 .]" 1
442 1 31 VAL MG2 1 65 PHE QD 0.000 . 3.860 2.981 2.499 3.275 . 0 0 "[ . 1 .]" 1
443 1 26 MET HA 1 65 PHE QD 0.000 . 3.790 3.401 3.102 3.704 . 0 0 "[ . 1 .]" 1
444 1 43 HIS HA 1 46 LEU MD1 0.000 . 3.470 3.342 2.996 3.476 0.006 8 0 "[ . 1 .]" 1
445 1 23 GLU HA 1 26 MET HB3 0.000 . 3.780 3.774 3.596 3.821 0.041 13 0 "[ . 1 .]" 1
446 1 61 LEU HA 1 61 LEU HB3 0.000 . 3.100 2.986 2.849 3.016 . 0 0 "[ . 1 .]" 1
447 1 9 TRP HA 1 14 PHE QD 0.000 . 3.130 2.765 2.622 3.017 . 0 0 "[ . 1 .]" 1
448 1 46 LEU HA 1 46 LEU MD2 0.000 . 2.860 2.471 2.252 2.611 . 0 0 "[ . 1 .]" 1
449 1 24 ASP HA 1 27 ARG QD 0.000 . 4.160 4.173 4.165 4.192 0.032 15 0 "[ . 1 .]" 1
450 1 52 ASP HA 1 55 LEU MD1 0.000 . 3.540 3.074 2.936 3.209 . 0 0 "[ . 1 .]" 1
451 1 38 LYS QB 1 39 ASP HA 0.000 . 4.500 3.864 3.727 4.153 . 0 0 "[ . 1 .]" 1
452 1 10 ARG HA 1 45 PHE HZ 0.000 . 3.600 1.983 1.967 1.995 . 0 0 "[ . 1 .]" 1
453 1 10 ARG HA 1 45 PHE QE 0.000 . 2.910 2.762 2.372 2.952 0.042 13 0 "[ . 1 .]" 1
454 1 65 PHE QD 1 68 ILE MD 0.000 . 3.390 2.704 2.372 3.058 . 0 0 "[ . 1 .]" 1
455 1 68 ILE HA 1 68 ILE MD 0.000 . 3.950 3.870 3.863 3.874 . 0 0 "[ . 1 .]" 1
456 1 68 ILE HB 1 68 ILE MD 0.000 . 3.320 2.083 2.069 2.093 . 0 0 "[ . 1 .]" 1
457 1 59 ALA HA 1 62 ILE MD 0.000 . 3.410 3.125 2.819 3.383 . 0 0 "[ . 1 .]" 1
458 1 63 ILE HA 1 63 ILE MD 0.000 . 3.670 3.769 3.722 3.790 0.120 8 0 "[ . 1 .]" 1
459 1 63 ILE MD 1 66 ARG QD 0.000 . 4.710 4.722 4.710 4.744 0.034 10 0 "[ . 1 .]" 1
460 1 60 ARG HA 1 63 ILE MD 0.000 . 3.430 2.198 2.105 2.332 . 0 0 "[ . 1 .]" 1
461 1 48 ALA HA 1 57 LEU MD1 0.000 . 3.420 3.431 3.353 3.446 0.026 3 0 "[ . 1 .]" 1
462 1 10 ARG QD 1 45 PHE HZ 0.000 . 4.060 3.645 3.130 3.893 . 0 0 "[ . 1 .]" 1
463 1 10 ARG QD 1 45 PHE QE 0.000 . 4.310 3.836 3.417 4.316 0.006 8 0 "[ . 1 .]" 1
464 1 47 LYS QE 1 57 LEU MD1 0.000 . 4.050 2.841 2.381 3.992 . 0 0 "[ . 1 .]" 1
465 1 46 LEU HB2 1 46 LEU MD1 0.000 . 3.020 2.062 1.967 2.174 . 0 0 "[ . 1 .]" 1
466 1 46 LEU HB3 1 46 LEU MD1 0.000 . 2.900 2.605 2.548 2.702 . 0 0 "[ . 1 .]" 1
467 1 55 LEU HB2 1 55 LEU MD1 0.000 . 2.850 2.113 2.056 2.151 . 0 0 "[ . 1 .]" 1
468 1 35 LYS HB2 1 39 ASP HB3 0.000 . 3.820 3.520 3.355 3.641 . 0 0 "[ . 1 .]" 1
469 1 63 ILE MG 1 67 ASP QB 0.000 . 4.050 3.554 3.393 4.050 0.000 15 0 "[ . 1 .]" 1
470 1 9 TRP HZ3 1 54 TYR QB 0.000 . 3.870 2.031 1.939 2.244 . 0 0 "[ . 1 .]" 1
471 1 53 GLU HG2 1 57 LEU MD1 0.000 . 3.800 2.529 2.297 2.690 . 0 0 "[ . 1 .]" 1
472 1 53 GLU HG3 1 57 LEU MD1 0.000 . 3.440 3.177 2.562 3.451 0.011 1 0 "[ . 1 .]" 1
473 1 21 GLN HG3 1 62 ILE MD 0.000 . 4.360 3.834 3.725 3.913 . 0 0 "[ . 1 .]" 1
474 1 5 GLN HA 1 5 GLN QG 0.000 . 3.660 2.316 2.025 3.328 . 0 0 "[ . 1 .]" 1
475 1 62 ILE HA 1 62 ILE HG12 0.000 . 3.080 2.464 2.419 2.487 . 0 0 "[ . 1 .]" 1
476 1 62 ILE HA 1 62 ILE HG13 0.000 . 3.100 2.806 2.775 2.900 . 0 0 "[ . 1 .]" 1
477 1 10 ARG HB3 1 45 PHE HZ 0.000 . 4.340 3.406 2.460 3.978 . 0 0 "[ . 1 .]" 1
478 1 19 VAL MG2 1 41 GLU QB 0.000 . 3.460 2.060 1.960 2.188 . 0 0 "[ . 1 .]" 1
479 1 19 VAL MG1 1 41 GLU QB 0.000 . 3.350 3.424 3.383 3.499 0.149 1 0 "[ . 1 .]" 1
480 1 10 ARG HB2 1 45 PHE HZ 0.000 . 3.950 3.979 3.794 4.095 0.145 10 0 "[ . 1 .]" 1
481 1 72 LYS HA 1 72 LYS QD 0.000 . 4.410 3.667 3.105 4.073 . 0 0 "[ . 1 .]" 1
482 1 53 GLU HG2 1 57 LEU HG 0.000 . 4.450 3.793 3.260 4.473 0.023 15 0 "[ . 1 .]" 1
483 1 46 LEU MD1 1 46 LEU HG 0.000 . 2.510 2.092 2.081 2.124 . 0 0 "[ . 1 .]" 1
484 1 12 THR HA 1 15 ARG HB3 0.000 . 3.310 3.378 3.368 3.395 0.085 14 0 "[ . 1 .]" 1
485 1 22 ILE HA 1 22 ILE HG13 0.000 . 2.860 2.622 2.383 2.877 0.017 6 0 "[ . 1 .]" 1
486 1 22 ILE HA 1 22 ILE MG 0.000 . 2.800 2.394 2.342 2.420 . 0 0 "[ . 1 .]" 1
487 1 22 ILE HA 1 25 ALA MB 0.000 . 2.990 2.886 2.804 2.987 . 0 0 "[ . 1 .]" 1
488 1 22 ILE HA 1 22 ILE HB 0.000 . 2.820 3.018 3.015 3.020 0.200 5 0 "[ . 1 .]" 1
489 1 44 VAL HA 1 57 LEU MD1 0.000 . 4.010 3.377 3.063 3.777 . 0 0 "[ . 1 .]" 1
490 1 10 ARG HG2 1 45 PHE QE 0.000 . 4.720 3.112 2.900 3.298 . 0 0 "[ . 1 .]" 1
491 1 10 ARG HG3 1 45 PHE QE 0.000 . 4.530 3.697 3.049 4.563 0.033 8 0 "[ . 1 .]" 1
492 1 15 ARG HA 1 15 ARG HG2 0.000 . 4.160 2.837 2.439 3.052 . 0 0 "[ . 1 .]" 1
493 1 49 LYS HA 1 49 LYS HG2 0.000 . 3.670 3.120 2.328 3.542 . 0 0 "[ . 1 .]" 1
494 1 61 LEU HA 1 61 LEU MD1 0.000 . 3.270 3.387 3.293 3.773 0.503 13 1 "[ . 1 + .]" 1
495 1 46 LEU HA 1 46 LEU MD1 0.000 . 4.260 3.820 3.802 3.835 . 0 0 "[ . 1 .]" 1
496 1 40 MET HB2 1 61 LEU MD1 0.000 . 4.700 4.481 4.120 4.725 0.025 15 0 "[ . 1 .]" 1
497 1 40 MET HB3 1 61 LEU MD1 0.000 . 3.280 3.307 3.287 3.333 0.053 10 0 "[ . 1 .]" 1
498 1 58 VAL HA 1 61 LEU MD1 0.000 . 3.970 3.872 3.309 4.018 0.048 14 0 "[ . 1 .]" 1
499 1 8 ASP HB2 1 11 SER HB2 0.000 . 3.980 3.684 2.979 3.984 0.004 13 0 "[ . 1 .]" 1
500 1 8 ASP HB2 1 11 SER HB3 0.000 . 3.740 3.487 2.458 3.744 0.004 4 0 "[ . 1 .]" 1
501 1 63 ILE HA 1 63 ILE HG13 0.000 . 3.190 2.413 2.344 2.445 . 0 0 "[ . 1 .]" 1
502 1 14 PHE QE 1 18 LEU MD1 0.000 . 4.210 3.089 2.139 3.358 . 0 0 "[ . 1 .]" 1
503 1 14 PHE QE 1 18 LEU MD2 0.000 . 3.780 3.118 2.955 3.289 . 0 0 "[ . 1 .]" 1
504 1 18 LEU HA 1 18 LEU MD1 0.000 . 3.230 2.758 2.585 3.384 0.154 7 0 "[ . 1 .]" 1
505 1 15 ARG HA 1 18 LEU MD1 0.000 . 4.590 4.238 2.347 4.723 0.133 10 0 "[ . 1 .]" 1
506 1 15 ARG HA 1 18 LEU MD2 0.000 . 4.160 4.151 4.057 4.231 0.071 7 0 "[ . 1 .]" 1
507 1 45 PHE QD 1 46 LEU MD2 0.000 . 4.090 4.026 3.726 4.097 0.007 7 0 "[ . 1 .]" 1
508 1 35 LYS QE 1 35 LYS HG3 0.000 . 3.210 2.454 2.028 3.083 . 0 0 "[ . 1 .]" 1
509 1 22 ILE MG 1 40 MET HB2 0.000 . 3.650 3.454 2.617 3.669 0.019 1 0 "[ . 1 .]" 1
510 1 49 LYS HB2 1 50 THR MG 0.000 . 3.500 3.450 3.330 3.506 0.006 15 0 "[ . 1 .]" 1
511 1 24 ASP HA 1 27 ARG QB 0.000 . 2.970 2.733 2.686 2.791 . 0 0 "[ . 1 .]" 1
512 1 8 ASP HB3 1 11 SER HB3 0.000 . 4.280 4.050 3.550 4.278 . 0 0 "[ . 1 .]" 1
513 1 64 HIS HD2 1 68 ILE MD 0.000 . 4.360 2.533 1.981 3.110 . 0 0 "[ . 1 .]" 1
514 1 63 ILE HB 1 63 ILE MD 0.000 . 3.010 2.029 2.009 2.067 . 0 0 "[ . 1 .]" 1
515 1 9 TRP HZ2 1 50 THR HA 0.000 . 3.820 3.375 3.065 3.752 . 0 0 "[ . 1 .]" 1
516 1 7 THR HA 1 9 TRP HD1 0.000 . 4.950 4.919 4.811 4.951 0.001 15 0 "[ . 1 .]" 1
517 1 9 TRP HA 1 14 PHE HB3 0.000 . 5.180 3.233 2.851 3.442 . 0 0 "[ . 1 .]" 1
518 1 9 TRP HB2 1 14 PHE QE 0.000 . 4.290 3.548 2.976 3.810 . 0 0 "[ . 1 .]" 1
519 1 9 TRP HB3 1 9 TRP HE3 0.000 . 3.850 3.888 3.825 3.922 0.072 10 0 "[ . 1 .]" 1
520 1 9 TRP HB3 1 14 PHE QE 0.000 . 4.520 3.921 3.793 4.035 . 0 0 "[ . 1 .]" 1
521 1 10 ARG HA 1 10 ARG HG3 0.000 . 3.390 2.755 2.353 3.308 . 0 0 "[ . 1 .]" 1
522 1 12 THR HB 1 16 GLN HB3 0.000 . 5.060 5.169 5.160 5.177 0.117 9 0 "[ . 1 .]" 1
523 1 12 THR HB 1 16 GLN QG 0.000 . 5.340 5.350 5.340 5.361 0.021 8 0 "[ . 1 .]" 1
524 1 16 GLN HA 1 16 GLN HB3 0.000 . 3.110 3.023 3.022 3.024 . 0 0 "[ . 1 .]" 1
525 1 16 GLN HB2 1 16 GLN QG 0.000 . 2.590 2.152 2.151 2.155 . 0 0 "[ . 1 .]" 1
526 1 18 LEU HB2 1 18 LEU HG 0.000 . 3.000 2.388 2.252 2.927 . 0 0 "[ . 1 .]" 1
527 1 21 GLN HG2 1 62 ILE MD 0.000 . 4.390 4.415 4.395 4.437 0.047 1 0 "[ . 1 .]" 1
528 1 62 ILE HA 1 62 ILE MD 0.000 . 3.710 3.790 3.770 3.807 0.097 13 0 "[ . 1 .]" 1
529 1 22 ILE HA 1 22 ILE MD 0.000 . 3.740 3.775 3.731 3.811 0.071 3 0 "[ . 1 .]" 1
530 1 22 ILE HB 1 22 ILE MD 0.000 . 2.530 2.226 1.992 2.441 . 0 0 "[ . 1 .]" 1
531 1 19 VAL HA 1 22 ILE MD 0.000 . 3.320 2.584 1.972 3.187 . 0 0 "[ . 1 .]" 1
532 1 22 ILE MD 1 41 GLU QB 0.000 . 3.110 3.004 2.650 3.226 0.116 1 0 "[ . 1 .]" 1
533 1 31 VAL MG1 1 65 PHE QE 0.000 . 4.950 2.244 1.924 3.081 . 0 0 "[ . 1 .]" 1
534 1 21 GLN HA 1 21 GLN HG3 0.000 . 3.520 3.640 3.627 3.650 0.130 15 0 "[ . 1 .]" 1
535 1 29 ALA MB 1 65 PHE QE 0.000 . 3.680 3.614 3.306 3.702 0.022 12 0 "[ . 1 .]" 1
536 1 31 VAL HA 1 31 VAL MG2 0.000 . 3.330 3.151 2.781 3.192 . 0 0 "[ . 1 .]" 1
537 1 29 ALA HA 1 69 HIS HD2 0.000 . 4.480 4.241 3.550 4.489 0.009 11 0 "[ . 1 .]" 1
538 1 65 PHE HA 1 68 ILE MG 0.000 . 4.610 4.304 4.232 4.365 . 0 0 "[ . 1 .]" 1
539 1 61 LEU HG 1 65 PHE QE 0.000 . 4.530 2.742 2.029 4.585 0.055 12 0 "[ . 1 .]" 1
540 1 61 LEU MD1 1 65 PHE QE 0.000 . 3.850 2.749 1.887 3.962 0.112 15 0 "[ . 1 .]" 1
541 1 15 ARG HA 1 15 ARG HG3 0.000 . 3.190 2.651 2.465 3.092 . 0 0 "[ . 1 .]" 1
542 1 26 MET HB3 1 31 VAL MG2 0.000 . 3.850 3.547 3.226 3.871 0.021 13 0 "[ . 1 .]" 1
543 1 26 MET HA 1 31 VAL MG2 0.000 . 3.390 3.031 2.771 3.325 . 0 0 "[ . 1 .]" 1
544 1 26 MET HG2 1 31 VAL MG2 0.000 . 2.870 2.114 1.910 2.807 . 0 0 "[ . 1 .]" 1
545 1 31 VAL MG2 1 65 PHE QE 0.000 . 3.700 1.993 1.885 2.066 . 0 0 "[ . 1 .]" 1
546 1 31 VAL MG1 1 65 PHE QD 0.000 . 5.110 2.567 2.064 3.501 . 0 0 "[ . 1 .]" 1
547 1 29 ALA MB 1 65 PHE HB3 0.000 . 3.470 1.931 1.919 1.966 . 0 0 "[ . 1 .]" 1
548 1 29 ALA MB 1 65 PHE HB2 0.000 . 3.360 3.441 3.422 3.478 0.118 14 0 "[ . 1 .]" 1
549 1 14 PHE QD 1 18 LEU MD1 0.000 . 4.140 3.786 2.152 4.169 0.029 15 0 "[ . 1 .]" 1
550 1 14 PHE HZ 1 18 LEU MD1 0.000 . 5.030 4.729 3.688 5.034 0.004 8 0 "[ . 1 .]" 1
551 1 9 TRP HZ2 1 48 ALA MB 0.000 . 3.910 3.939 3.931 3.952 0.042 7 0 "[ . 1 .]" 1
552 1 16 GLN HA 1 16 GLN QG 0.000 . 3.280 2.402 2.392 2.411 . 0 0 "[ . 1 .]" 1
553 1 62 ILE HA 1 65 PHE QE 0.000 . 4.360 4.408 4.360 4.450 0.090 10 0 "[ . 1 .]" 1
554 1 9 TRP HZ2 1 10 ARG QD 0.000 . 4.220 4.234 4.221 4.247 0.027 9 0 "[ . 1 .]" 1
555 1 9 TRP HE3 1 54 TYR QB 0.000 . 2.930 2.934 2.905 2.955 0.025 14 0 "[ . 1 .]" 1
556 1 29 ALA MB 1 31 VAL MG1 0.000 . 3.550 2.642 2.421 3.662 0.112 11 0 "[ . 1 .]" 1
557 1 49 LYS HB3 1 50 THR MG 0.000 . 3.790 2.432 2.391 2.493 . 0 0 "[ . 1 .]" 1
558 1 50 THR HA 1 50 THR MG 0.000 . 2.850 2.383 2.367 2.417 . 0 0 "[ . 1 .]" 1
559 1 48 ALA HA 1 53 GLU HG3 0.000 . 3.560 3.583 3.567 3.619 0.059 15 0 "[ . 1 .]" 1
560 1 48 ALA HA 1 53 GLU HG2 0.000 . 4.470 1.998 1.986 2.039 . 0 0 "[ . 1 .]" 1
561 1 57 LEU HA 1 57 LEU MD1 0.000 . 3.560 3.790 3.778 3.806 0.246 15 0 "[ . 1 .]" 1
562 1 25 ALA MB 1 62 ILE HA 0.000 . 3.250 2.838 2.572 3.010 . 0 0 "[ . 1 .]" 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 86
_Distance_constraint_stats_list.Viol_count 271
_Distance_constraint_stats_list.Viol_total 78.039
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0192
_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 SER 0.587 0.064 6 0 "[ . 1 .]"
1 12 THR 0.000 0.000 . 0 "[ . 1 .]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 14 PHE 0.040 0.018 9 0 "[ . 1 .]"
1 15 ARG 0.587 0.064 6 0 "[ . 1 .]"
1 16 GLN 0.153 0.041 7 0 "[ . 1 .]"
1 17 LYS 0.701 0.076 1 0 "[ . 1 .]"
1 18 LEU 0.043 0.018 9 0 "[ . 1 .]"
1 19 VAL 0.032 0.014 11 0 "[ . 1 .]"
1 20 SER 0.153 0.041 7 0 "[ . 1 .]"
1 21 GLN 0.701 0.076 1 0 "[ . 1 .]"
1 22 ILE 0.223 0.032 1 0 "[ . 1 .]"
1 23 GLU 0.266 0.028 14 0 "[ . 1 .]"
1 24 ASP 0.720 0.066 12 0 "[ . 1 .]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 26 MET 0.268 0.032 1 0 "[ . 1 .]"
1 27 ARG 0.234 0.028 14 0 "[ . 1 .]"
1 28 LYS 0.720 0.066 12 0 "[ . 1 .]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 30 GLY 0.048 0.017 14 0 "[ . 1 .]"
1 36 SER 0.000 0.000 . 0 "[ . 1 .]"
1 37 SER 0.000 0.000 . 0 "[ . 1 .]"
1 38 LYS 0.127 0.045 14 0 "[ . 1 .]"
1 39 ASP 0.305 0.051 14 0 "[ . 1 .]"
1 40 MET 0.071 0.021 3 0 "[ . 1 .]"
1 41 GLU 0.017 0.007 6 0 "[ . 1 .]"
1 42 SER 0.330 0.045 14 0 "[ . 1 .]"
1 43 HIS 0.337 0.051 14 0 "[ . 1 .]"
1 44 VAL 0.071 0.021 3 0 "[ . 1 .]"
1 45 PHE 0.017 0.007 6 0 "[ . 1 .]"
1 46 LEU 0.203 0.033 12 0 "[ . 1 .]"
1 47 LYS 0.033 0.009 15 0 "[ . 1 .]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 50 THR 0.411 0.059 15 0 "[ . 1 .]"
1 51 ARG 0.013 0.007 8 0 "[ . 1 .]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 53 GLU 0.017 0.010 7 0 "[ . 1 .]"
1 54 TYR 0.411 0.059 15 0 "[ . 1 .]"
1 55 LEU 0.155 0.018 9 0 "[ . 1 .]"
1 56 SER 0.026 0.016 5 0 "[ . 1 .]"
1 57 LEU 0.098 0.018 6 0 "[ . 1 .]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 59 ALA 0.142 0.018 9 0 "[ . 1 .]"
1 60 ARG 0.026 0.016 5 0 "[ . 1 .]"
1 61 LEU 0.545 0.079 10 0 "[ . 1 .]"
1 62 ILE 0.025 0.025 10 0 "[ . 1 .]"
1 63 ILE 0.032 0.013 12 0 "[ . 1 .]"
1 64 HIS 0.067 0.036 13 0 "[ . 1 .]"
1 65 PHE 0.865 0.079 10 0 "[ . 1 .]"
1 66 ARG 0.054 0.025 10 0 "[ . 1 .]"
1 67 ASP 0.032 0.013 12 0 "[ . 1 .]"
1 68 ILE 0.067 0.036 13 0 "[ . 1 .]"
1 69 HIS 0.402 0.039 7 0 "[ . 1 .]"
1 70 ASN 0.029 0.021 13 0 "[ . 1 .]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 SER O 1 15 ARG H 0.000 . 2.200 2.239 2.208 2.264 0.064 6 0 "[ . 1 .]" 2
2 1 11 SER O 1 15 ARG N 0.000 . 3.200 3.166 3.130 3.189 . 0 0 "[ . 1 .]" 2
3 1 12 THR O 1 16 GLN H 0.000 . 2.200 1.751 1.746 1.758 . 0 0 "[ . 1 .]" 2
4 1 12 THR O 1 16 GLN N 0.000 . 3.200 2.667 2.663 2.670 . 0 0 "[ . 1 .]" 2
5 1 13 ALA O 1 17 LYS H 0.000 . 2.200 1.936 1.793 2.109 . 0 0 "[ . 1 .]" 2
6 1 13 ALA O 1 17 LYS N 0.000 . 3.200 2.900 2.767 3.076 . 0 0 "[ . 1 .]" 2
7 1 14 PHE O 1 18 LEU H 0.000 . 2.200 2.116 2.062 2.218 0.018 9 0 "[ . 1 .]" 2
8 1 14 PHE O 1 18 LEU N 0.000 . 3.200 3.091 3.037 3.186 . 0 0 "[ . 1 .]" 2
9 1 15 ARG O 1 19 VAL H 0.000 . 2.200 1.826 1.786 1.874 . 0 0 "[ . 1 .]" 2
10 1 15 ARG O 1 19 VAL N 0.000 . 3.200 2.754 2.723 2.840 . 0 0 "[ . 1 .]" 2
11 1 16 GLN O 1 20 SER H 0.000 . 2.200 2.165 2.088 2.241 0.041 7 0 "[ . 1 .]" 2
12 1 16 GLN O 1 20 SER N 0.000 . 3.200 3.101 3.031 3.192 . 0 0 "[ . 1 .]" 2
13 1 17 LYS O 1 21 GLN H 0.000 . 2.200 2.246 2.199 2.276 0.076 1 0 "[ . 1 .]" 2
14 1 17 LYS O 1 21 GLN N 0.000 . 3.200 3.189 3.167 3.208 0.008 11 0 "[ . 1 .]" 2
15 1 18 LEU O 1 22 ILE H 0.000 . 2.200 2.116 1.953 2.203 0.003 15 0 "[ . 1 .]" 2
16 1 18 LEU O 1 22 ILE N 0.000 . 3.200 3.085 2.928 3.175 . 0 0 "[ . 1 .]" 2
17 1 19 VAL O 1 23 GLU H 0.000 . 2.200 2.178 2.125 2.214 0.014 11 0 "[ . 1 .]" 2
18 1 19 VAL O 1 23 GLU N 0.000 . 3.200 3.055 3.018 3.085 . 0 0 "[ . 1 .]" 2
19 1 20 SER O 1 24 ASP H 0.000 . 2.200 1.979 1.862 2.112 . 0 0 "[ . 1 .]" 2
20 1 20 SER O 1 24 ASP N 0.000 . 3.200 2.819 2.739 2.902 . 0 0 "[ . 1 .]" 2
21 1 21 GLN O 1 25 ALA H 0.000 . 2.200 1.971 1.827 2.096 . 0 0 "[ . 1 .]" 2
22 1 21 GLN O 1 25 ALA N 0.000 . 3.200 2.945 2.803 3.060 . 0 0 "[ . 1 .]" 2
23 1 22 ILE O 1 26 MET H 0.000 . 2.200 2.215 2.201 2.232 0.032 1 0 "[ . 1 .]" 2
24 1 22 ILE O 1 26 MET N 0.000 . 3.200 3.139 3.108 3.160 . 0 0 "[ . 1 .]" 2
25 1 23 GLU O 1 27 ARG H 0.000 . 2.200 2.216 2.200 2.228 0.028 14 0 "[ . 1 .]" 2
26 1 23 GLU O 1 27 ARG N 0.000 . 3.200 3.129 3.096 3.162 . 0 0 "[ . 1 .]" 2
27 1 24 ASP O 1 28 LYS H 0.000 . 2.200 2.236 2.221 2.266 0.066 12 0 "[ . 1 .]" 2
28 1 24 ASP O 1 28 LYS N 0.000 . 3.200 3.212 3.201 3.234 0.034 12 0 "[ . 1 .]" 2
29 1 25 ALA O 1 29 ALA H 0.000 . 2.200 1.995 1.893 2.070 . 0 0 "[ . 1 .]" 2
30 1 25 ALA O 1 29 ALA N 0.000 . 3.200 2.733 2.724 2.740 . 0 0 "[ . 1 .]" 2
31 1 26 MET O 1 30 GLY H 0.000 . 2.200 2.169 2.052 2.217 0.017 14 0 "[ . 1 .]" 2
32 1 26 MET O 1 30 GLY N 0.000 . 3.200 2.903 2.751 2.971 . 0 0 "[ . 1 .]" 2
33 1 36 SER O 1 40 MET H 0.000 . 2.200 1.866 1.789 2.001 . 0 0 "[ . 1 .]" 2
34 1 36 SER O 1 40 MET N 0.000 . 3.200 2.756 2.727 2.901 . 0 0 "[ . 1 .]" 2
35 1 37 SER O 1 41 GLU H 0.000 . 2.200 1.820 1.795 1.968 . 0 0 "[ . 1 .]" 2
36 1 37 SER O 1 41 GLU N 0.000 . 3.200 2.784 2.753 2.898 . 0 0 "[ . 1 .]" 2
37 1 38 LYS O 1 42 SER H 0.000 . 2.200 2.198 2.122 2.245 0.045 14 0 "[ . 1 .]" 2
38 1 38 LYS O 1 42 SER N 0.000 . 3.200 3.118 3.057 3.216 0.016 14 0 "[ . 1 .]" 2
39 1 39 ASP O 1 43 HIS H 0.000 . 2.200 2.220 2.209 2.251 0.051 14 0 "[ . 1 .]" 2
40 1 39 ASP O 1 43 HIS N 0.000 . 3.200 3.153 3.111 3.202 0.002 14 0 "[ . 1 .]" 2
41 1 40 MET O 1 44 VAL H 0.000 . 2.200 2.185 2.113 2.221 0.021 3 0 "[ . 1 .]" 2
42 1 40 MET O 1 44 VAL N 0.000 . 3.200 3.115 3.042 3.167 . 0 0 "[ . 1 .]" 2
43 1 41 GLU O 1 45 PHE H 0.000 . 2.200 2.055 1.817 2.207 0.007 6 0 "[ . 1 .]" 2
44 1 41 GLU O 1 45 PHE N 0.000 . 3.200 2.982 2.793 3.105 . 0 0 "[ . 1 .]" 2
45 1 42 SER O 1 46 LEU H 0.000 . 2.200 2.185 2.015 2.233 0.033 12 0 "[ . 1 .]" 2
46 1 42 SER O 1 46 LEU N 0.000 . 3.200 3.137 2.987 3.204 0.004 12 0 "[ . 1 .]" 2
47 1 43 HIS O 1 47 LYS H 0.000 . 2.200 2.160 2.019 2.209 0.009 15 0 "[ . 1 .]" 2
48 1 43 HIS O 1 47 LYS N 0.000 . 3.200 2.855 2.776 2.940 . 0 0 "[ . 1 .]" 2
49 1 44 VAL O 1 48 ALA H 0.000 . 2.200 2.083 1.930 2.196 . 0 0 "[ . 1 .]" 2
50 1 44 VAL O 1 48 ALA N 0.000 . 3.200 2.738 2.721 2.746 . 0 0 "[ . 1 .]" 2
51 1 50 THR O 1 54 TYR H 0.000 . 2.200 2.225 2.210 2.259 0.059 15 0 "[ . 1 .]" 2
52 1 50 THR O 1 54 TYR N 0.000 . 3.200 3.189 3.164 3.222 0.022 15 0 "[ . 1 .]" 2
53 1 51 ARG O 1 55 LEU H 0.000 . 2.200 2.131 2.024 2.207 0.007 8 0 "[ . 1 .]" 2
54 1 51 ARG O 1 55 LEU N 0.000 . 3.200 3.050 2.933 3.129 . 0 0 "[ . 1 .]" 2
55 1 52 ASP O 1 56 SER H 0.000 . 2.200 1.920 1.853 1.969 . 0 0 "[ . 1 .]" 2
56 1 52 ASP O 1 56 SER N 0.000 . 3.200 2.759 2.741 2.817 . 0 0 "[ . 1 .]" 2
57 1 53 GLU O 1 57 LEU H 0.000 . 2.200 2.015 1.893 2.210 0.010 7 0 "[ . 1 .]" 2
58 1 53 GLU O 1 57 LEU N 0.000 . 3.200 2.985 2.871 3.167 . 0 0 "[ . 1 .]" 2
59 1 54 TYR O 1 58 VAL H 0.000 . 2.200 1.784 1.771 1.796 . 0 0 "[ . 1 .]" 2
60 1 54 TYR O 1 58 VAL N 0.000 . 3.200 2.750 2.733 2.773 . 0 0 "[ . 1 .]" 2
61 1 55 LEU O 1 59 ALA H 0.000 . 2.200 2.207 2.167 2.218 0.018 9 0 "[ . 1 .]" 2
62 1 55 LEU O 1 59 ALA N 0.000 . 3.200 3.151 3.102 3.176 . 0 0 "[ . 1 .]" 2
63 1 56 SER O 1 60 ARG H 0.000 . 2.200 2.107 1.991 2.216 0.016 5 0 "[ . 1 .]" 2
64 1 56 SER O 1 60 ARG N 0.000 . 3.200 3.081 2.958 3.193 . 0 0 "[ . 1 .]" 2
65 1 57 LEU O 1 61 LEU H 0.000 . 2.200 2.163 2.038 2.218 0.018 6 0 "[ . 1 .]" 2
66 1 57 LEU O 1 61 LEU N 0.000 . 3.200 3.070 2.960 3.129 . 0 0 "[ . 1 .]" 2
67 1 58 VAL O 1 62 ILE H 0.000 . 2.200 1.954 1.798 2.026 . 0 0 "[ . 1 .]" 2
68 1 58 VAL O 1 62 ILE N 0.000 . 3.200 2.922 2.766 2.992 . 0 0 "[ . 1 .]" 2
69 1 59 ALA O 1 63 ILE H 0.000 . 2.200 1.794 1.774 1.813 . 0 0 "[ . 1 .]" 2
70 1 59 ALA O 1 63 ILE N 0.000 . 3.200 2.769 2.743 2.789 . 0 0 "[ . 1 .]" 2
71 1 60 ARG O 1 64 HIS H 0.000 . 2.200 2.029 1.899 2.200 0.000 5 0 "[ . 1 .]" 2
72 1 60 ARG O 1 64 HIS N 0.000 . 3.200 2.945 2.843 3.080 . 0 0 "[ . 1 .]" 2
73 1 61 LEU O 1 65 PHE H 0.000 . 2.200 2.228 2.161 2.279 0.079 10 0 "[ . 1 .]" 2
74 1 61 LEU O 1 65 PHE N 0.000 . 3.200 3.088 3.045 3.166 . 0 0 "[ . 1 .]" 2
75 1 62 ILE O 1 66 ARG H 0.000 . 2.200 2.096 1.914 2.225 0.025 10 0 "[ . 1 .]" 2
76 1 62 ILE O 1 66 ARG N 0.000 . 3.200 3.037 2.884 3.153 . 0 0 "[ . 1 .]" 2
77 1 63 ILE O 1 67 ASP H 0.000 . 2.200 2.176 2.121 2.213 0.013 12 0 "[ . 1 .]" 2
78 1 63 ILE O 1 67 ASP N 0.000 . 3.200 3.090 3.053 3.164 . 0 0 "[ . 1 .]" 2
79 1 64 HIS O 1 68 ILE H 0.000 . 2.200 2.122 1.907 2.236 0.036 13 0 "[ . 1 .]" 2
80 1 64 HIS O 1 68 ILE N 0.000 . 3.200 3.082 2.875 3.181 . 0 0 "[ . 1 .]" 2
81 1 65 PHE O 1 69 HIS H 0.000 . 2.200 2.227 2.209 2.239 0.039 7 0 "[ . 1 .]" 2
82 1 65 PHE O 1 69 HIS N 0.000 . 3.200 3.186 3.142 3.201 0.001 10 0 "[ . 1 .]" 2
83 1 66 ARG O 1 70 ASN H 0.000 . 2.200 2.121 1.915 2.221 0.021 13 0 "[ . 1 .]" 2
84 1 66 ARG O 1 70 ASN N 0.000 . 3.200 2.955 2.751 3.186 . 0 0 "[ . 1 .]" 2
85 1 67 ASP O 1 71 LYS H 0.000 . 2.200 2.063 1.936 2.194 . 0 0 "[ . 1 .]" 2
86 1 67 ASP O 1 71 LYS N 0.000 . 3.200 2.891 2.750 3.015 . 0 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 9:18:25 AM GMT (wattos1)