Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
475873 | 2kra RC | 16633 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kra
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 839
_Distance_constraint_stats_list.Viol_count 1222
_Distance_constraint_stats_list.Viol_total 1508.276
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0617
_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 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 0.556 0.093 6 0 "[ . 1 . 2]"
1 4 THR 0.753 0.093 6 0 "[ . 1 . 2]"
1 5 GLY 2.252 0.150 5 0 "[ . 1 . 2]"
1 6 ALA 5.196 0.246 14 0 "[ . 1 . 2]"
1 7 CYS 0.974 0.117 18 0 "[ . 1 . 2]"
1 8 ASP 2.251 0.148 15 0 "[ . 1 . 2]"
1 9 LYS 2.380 0.186 9 0 "[ . 1 . 2]"
1 10 ASP 0.497 0.133 14 0 "[ . 1 . 2]"
1 11 VAL 1.534 0.186 9 0 "[ . 1 . 2]"
1 12 GLN 1.451 0.107 16 0 "[ . 1 . 2]"
1 13 CYS 1.116 0.282 19 0 "[ . 1 . 2]"
1 14 GLY 2.423 0.282 19 0 "[ . 1 . 2]"
1 15 SER 1.311 0.128 2 0 "[ . 1 . 2]"
1 16 GLY 0.181 0.092 8 0 "[ . 1 . 2]"
1 17 THR 2.462 0.118 2 0 "[ . 1 . 2]"
1 18 CYS 0.615 0.100 3 0 "[ . 1 . 2]"
1 19 CYS 0.063 0.063 18 0 "[ . 1 . 2]"
1 20 ALA 0.117 0.048 1 0 "[ . 1 . 2]"
1 21 ALA 0.057 0.032 12 0 "[ . 1 . 2]"
1 22 SER 1.513 0.105 7 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TRP 0.413 0.123 7 0 "[ . 1 . 2]"
1 25 SER 1.364 0.105 7 0 "[ . 1 . 2]"
1 26 ARG 1.091 0.188 20 0 "[ . 1 . 2]"
1 27 ASN 0.460 0.224 1 0 "[ . 1 . 2]"
1 28 ILE 5.015 0.246 5 0 "[ . 1 . 2]"
1 29 ARG 0.481 0.090 17 0 "[ . 1 . 2]"
1 30 PHE 8.003 0.189 19 0 "[ . 1 . 2]"
1 31 CYS 4.343 0.246 14 0 "[ . 1 . 2]"
1 32 ILE 7.016 0.246 5 0 "[ . 1 . 2]"
1 33 PRO 3.056 0.118 2 0 "[ . 1 . 2]"
1 34 LEU 2.437 0.108 7 0 "[ . 1 . 2]"
1 35 GLY 1.273 0.104 18 0 "[ . 1 . 2]"
1 36 ASN 1.376 0.201 17 0 "[ . 1 . 2]"
1 37 SER 0.513 0.173 10 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 5.714 0.375 18 0 "[ . 1 . 2]"
1 40 ASP 2.573 0.268 18 0 "[ . 1 . 2]"
1 41 CYS 0.279 0.084 6 0 "[ . 1 . 2]"
1 42 HIS 0.719 0.222 19 0 "[ . 1 . 2]"
1 43 PRO 3.280 0.212 11 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 1.408 0.220 20 0 "[ . 1 . 2]"
1 46 HIS 2.142 0.219 20 0 "[ . 1 . 2]"
1 47 LYS 0.815 0.164 6 0 "[ . 1 . 2]"
1 48 VAL 1.182 0.110 16 0 "[ . 1 . 2]"
1 49 PRO 1.172 0.133 14 0 "[ . 1 . 2]"
1 50 TYR 4.040 0.220 20 0 "[ . 1 . 2]"
1 51 ASP 0.081 0.043 18 0 "[ . 1 . 2]"
1 52 GLY 2.006 0.373 2 0 "[ . 1 . 2]"
1 53 LYS 3.779 0.373 2 0 "[ . 1 . 2]"
1 55 LEU 0.139 0.080 10 0 "[ . 1 . 2]"
1 56 SER 0.132 0.080 10 0 "[ . 1 . 2]"
1 57 SER 0.041 0.020 19 0 "[ . 1 . 2]"
1 58 LEU 0.633 0.238 19 0 "[ . 1 . 2]"
1 59 CYS 0.606 0.238 19 0 "[ . 1 . 2]"
1 60 PRO 0.739 0.164 6 0 "[ . 1 . 2]"
1 61 CYS 0.659 0.095 7 0 "[ . 1 . 2]"
1 62 LYS 2.963 0.121 12 0 "[ . 1 . 2]"
1 63 SER 0.557 0.121 12 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 4.668 0.332 4 0 "[ . 1 . 2]"
1 66 THR 4.385 0.332 4 0 "[ . 1 . 2]"
1 67 CYS 0.023 0.015 3 0 "[ . 1 . 2]"
1 68 SER 2.230 0.132 6 0 "[ . 1 . 2]"
1 69 LYS 4.541 0.139 8 0 "[ . 1 . 2]"
1 70 SER 1.816 0.139 8 0 "[ . 1 . 2]"
1 71 GLY 0.963 0.129 18 0 "[ . 1 . 2]"
1 72 GLU 2.132 0.324 8 0 "[ . 1 . 2]"
1 73 LYS 3.276 0.198 3 0 "[ . 1 . 2]"
1 74 PHE 6.562 0.212 11 0 "[ . 1 . 2]"
1 75 LYS 4.648 0.197 19 0 "[ . 1 . 2]"
1 76 CYS 2.357 0.197 19 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 ILE H 1 32 ILE HB 2.795 . 3.790 3.719 3.648 3.808 0.018 4 0 "[ . 1 . 2]" 1
2 1 32 ILE H 1 32 ILE MG 2.730 . 3.660 2.729 2.561 2.922 . 0 0 "[ . 1 . 2]" 1
3 1 66 THR H 1 66 THR HB 2.795 . 3.790 2.695 2.619 2.816 . 0 0 "[ . 1 . 2]" 1
4 1 66 THR H 1 66 THR MG 2.925 . 4.050 3.882 3.842 3.940 . 0 0 "[ . 1 . 2]" 1
5 1 65 LEU H 1 65 LEU QB 2.535 . 3.270 2.284 2.208 2.362 . 0 0 "[ . 1 . 2]" 1
6 1 65 LEU H 1 65 LEU HG 3.025 . 4.250 3.137 2.648 4.271 0.021 7 0 "[ . 1 . 2]" 1
7 1 65 LEU H 1 65 LEU MD1 3.150 . 4.500 3.922 3.833 4.012 . 0 0 "[ . 1 . 2]" 1
8 1 67 CYS H 1 67 CYS HB2 2.735 . 3.670 2.599 2.414 2.758 . 0 0 "[ . 1 . 2]" 1
9 1 67 CYS H 1 67 CYS HB3 2.735 . 3.670 2.545 2.455 2.770 . 0 0 "[ . 1 . 2]" 1
10 1 68 SER H 1 68 SER HB2 2.935 . 4.070 3.195 2.758 3.876 . 0 0 "[ . 1 . 2]" 1
11 1 68 SER H 1 68 SER HB3 2.935 . 4.070 3.176 2.793 3.927 . 0 0 "[ . 1 . 2]" 1
12 1 24 TRP H 1 24 TRP HB2 2.800 . 3.800 3.651 3.612 3.923 0.123 7 0 "[ . 1 . 2]" 1
13 1 24 TRP H 1 24 TRP HB3 2.975 . 4.150 2.883 2.814 3.493 . 0 0 "[ . 1 . 2]" 1
14 1 23 ALA H 1 23 ALA MB 2.255 . 2.710 2.149 2.011 2.225 . 0 0 "[ . 1 . 2]" 1
15 1 67 CYS HB2 1 68 SER H 3.365 . 4.930 4.327 4.064 4.457 . 0 0 "[ . 1 . 2]" 1
16 1 21 ALA H 1 21 ALA MB 2.410 . 3.020 2.189 2.103 2.285 . 0 0 "[ . 1 . 2]" 1
17 1 20 ALA H 1 20 ALA MB 2.825 . 3.850 2.334 2.105 2.799 . 0 0 "[ . 1 . 2]" 1
18 1 15 SER H 1 15 SER QB 2.270 . 2.740 2.549 2.407 2.633 . 0 0 "[ . 1 . 2]" 1
19 1 13 CYS H 1 13 CYS HB3 2.800 . 3.800 3.649 3.631 3.675 . 0 0 "[ . 1 . 2]" 1
20 1 13 CYS H 1 13 CYS HB2 2.800 . 3.800 2.505 2.435 2.596 . 0 0 "[ . 1 . 2]" 1
21 1 11 VAL H 1 11 VAL HB 2.410 . 3.020 2.556 2.164 2.697 . 0 0 "[ . 1 . 2]" 1
22 1 11 VAL H 1 11 VAL MG1 2.840 . 3.880 3.588 2.655 3.752 . 0 0 "[ . 1 . 2]" 1
23 1 11 VAL H 1 11 VAL MG2 2.840 . 3.880 2.205 1.801 3.628 . 0 0 "[ . 1 . 2]" 1
24 1 59 CYS H 1 59 CYS HB3 2.810 . 3.820 3.517 3.485 3.621 . 0 0 "[ . 1 . 2]" 1
25 1 59 CYS H 1 59 CYS HB2 2.810 . 3.820 2.237 2.189 2.401 . 0 0 "[ . 1 . 2]" 1
26 1 71 GLY H 1 71 GLY HA2 2.320 . 2.840 2.418 2.323 2.697 . 0 0 "[ . 1 . 2]" 1
27 1 69 LYS HA 1 70 SER H 2.205 . 2.610 2.104 2.077 2.125 . 0 0 "[ . 1 . 2]" 1
28 1 19 CYS H 1 19 CYS HB3 2.910 . 4.020 3.644 3.617 3.665 . 0 0 "[ . 1 . 2]" 1
29 1 19 CYS H 1 19 CYS HB2 2.910 . 4.020 2.520 2.435 2.597 . 0 0 "[ . 1 . 2]" 1
30 1 31 CYS H 1 31 CYS HB3 2.740 . 3.680 3.593 3.571 3.624 . 0 0 "[ . 1 . 2]" 1
31 1 31 CYS H 1 31 CYS HB2 2.740 . 3.680 2.519 2.397 2.683 . 0 0 "[ . 1 . 2]" 1
32 1 30 PHE H 1 30 PHE HB2 2.995 . 4.190 3.639 2.856 3.921 . 0 0 "[ . 1 . 2]" 1
33 1 30 PHE H 1 30 PHE HB3 2.995 . 4.190 3.464 3.211 3.690 . 0 0 "[ . 1 . 2]" 1
34 1 6 ALA H 1 6 ALA MB 2.265 . 2.730 2.262 2.098 2.331 . 0 0 "[ . 1 . 2]" 1
35 1 8 ASP H 1 8 ASP HB2 2.740 . 3.680 3.069 2.466 3.699 0.019 17 0 "[ . 1 . 2]" 1
36 1 8 ASP H 1 8 ASP HB3 2.740 . 3.680 2.651 2.130 3.644 . 0 0 "[ . 1 . 2]" 1
37 1 4 THR H 1 4 THR HB 2.830 . 3.860 3.381 2.826 3.748 . 0 0 "[ . 1 . 2]" 1
38 1 4 THR H 1 4 THR MG 2.740 . 3.680 2.529 2.056 3.201 . 0 0 "[ . 1 . 2]" 1
39 1 2 VAL H 1 2 VAL HB 2.795 . 3.790 3.041 2.791 3.416 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE H 1 3 ILE HB 2.450 . 3.100 2.554 2.457 2.680 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE H 1 4 THR MG 3.405 . 5.010 4.546 3.971 5.025 0.015 8 0 "[ . 1 . 2]" 1
42 1 3 ILE H 1 3 ILE MG 3.050 . 4.300 3.797 3.766 3.813 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE H 1 3 ILE MD 3.650 . 5.500 3.317 2.159 3.500 . 0 0 "[ . 1 . 2]" 1
44 1 39 GLU H 1 39 GLU HB2 2.760 . 3.720 2.614 2.208 3.743 0.023 10 0 "[ . 1 . 2]" 1
45 1 12 GLN H 1 12 GLN HG2 2.800 . 3.800 3.701 3.267 3.881 0.081 15 0 "[ . 1 . 2]" 1
46 1 12 GLN H 1 12 GLN HB2 2.765 . 3.730 2.370 2.301 2.472 . 0 0 "[ . 1 . 2]" 1
47 1 12 GLN H 1 12 GLN HG3 2.800 . 3.800 2.436 2.241 2.673 . 0 0 "[ . 1 . 2]" 1
48 1 72 GLU H 1 72 GLU HB3 2.505 . 3.210 2.688 2.231 3.311 0.101 5 0 "[ . 1 . 2]" 1
49 1 72 GLU H 1 72 GLU HB2 2.505 . 3.210 3.015 2.452 3.534 0.324 8 0 "[ . 1 . 2]" 1
50 1 72 GLU H 1 72 GLU QG 2.975 . 4.150 3.664 1.789 4.255 0.105 3 0 "[ . 1 . 2]" 1
51 1 63 SER H 1 63 SER QB 2.270 . 2.740 2.637 2.476 2.743 0.003 18 0 "[ . 1 . 2]" 1
52 1 35 GLY H 1 61 CYS HA 3.010 . 4.220 3.102 2.793 3.426 . 0 0 "[ . 1 . 2]" 1
53 1 61 CYS H 1 61 CYS HB2 2.455 . 3.110 2.502 2.406 2.661 . 0 0 "[ . 1 . 2]" 1
54 1 61 CYS H 1 61 CYS HB3 2.800 . 3.800 3.588 3.568 3.610 . 0 0 "[ . 1 . 2]" 1
55 1 57 SER H 1 57 SER HB3 3.005 . 4.210 3.554 2.953 3.633 . 0 0 "[ . 1 . 2]" 1
56 1 57 SER H 1 57 SER HB2 3.005 . 4.210 2.635 2.389 3.525 . 0 0 "[ . 1 . 2]" 1
57 1 74 PHE H 1 74 PHE HB2 2.590 . 3.380 2.362 2.271 2.594 . 0 0 "[ . 1 . 2]" 1
58 1 77 SER H 1 77 SER HB2 2.930 . 4.060 2.996 2.591 3.790 . 0 0 "[ . 1 . 2]" 1
59 1 77 SER H 1 77 SER HB3 2.930 . 4.060 3.683 2.965 3.943 . 0 0 "[ . 1 . 2]" 1
60 1 73 LYS H 1 73 LYS HB3 2.810 . 3.820 3.533 2.889 3.776 . 0 0 "[ . 1 . 2]" 1
61 1 73 LYS H 1 73 LYS HB2 2.810 . 3.820 2.828 2.386 3.782 . 0 0 "[ . 1 . 2]" 1
62 1 73 LYS H 1 73 LYS HD2 3.650 . 5.500 4.736 3.134 5.308 . 0 0 "[ . 1 . 2]" 1
63 1 10 ASP HB2 1 11 VAL H 3.030 . 4.260 3.221 2.587 4.038 . 0 0 "[ . 1 . 2]" 1
64 1 10 ASP HB3 1 11 VAL H 3.030 . 4.260 3.500 2.775 4.075 . 0 0 "[ . 1 . 2]" 1
65 1 44 ALA H 1 44 ALA MB 2.545 . 3.290 2.213 2.029 2.873 . 0 0 "[ . 1 . 2]" 1
66 1 45 SER H 1 45 SER HB2 2.750 . 3.700 2.703 2.460 3.585 . 0 0 "[ . 1 . 2]" 1
67 1 45 SER H 1 45 SER HB3 2.750 . 3.700 3.456 2.571 3.698 . 0 0 "[ . 1 . 2]" 1
68 1 48 VAL H 1 48 VAL HB 2.505 . 3.210 2.509 2.348 2.730 . 0 0 "[ . 1 . 2]" 1
69 1 48 VAL H 1 48 VAL MG1 3.025 . 4.250 3.687 1.942 3.882 . 0 0 "[ . 1 . 2]" 1
70 1 48 VAL H 1 48 VAL MG2 3.025 . 4.250 2.525 2.086 3.780 . 0 0 "[ . 1 . 2]" 1
71 1 46 HIS H 1 46 HIS HB2 2.900 . 4.000 2.644 2.467 3.151 . 0 0 "[ . 1 . 2]" 1
72 1 46 HIS H 1 46 HIS HB3 2.900 . 4.000 3.702 3.588 3.858 . 0 0 "[ . 1 . 2]" 1
73 1 75 LYS H 1 75 LYS HG2 3.405 . 5.010 4.251 2.660 4.825 . 0 0 "[ . 1 . 2]" 1
74 1 75 LYS H 1 75 LYS HG3 3.405 . 5.010 3.643 2.787 4.627 . 0 0 "[ . 1 . 2]" 1
75 1 51 ASP H 1 51 ASP HB2 2.770 . 3.740 2.962 2.506 3.622 . 0 0 "[ . 1 . 2]" 1
76 1 51 ASP H 1 51 ASP HB3 2.770 . 3.740 2.777 2.445 3.564 . 0 0 "[ . 1 . 2]" 1
77 1 50 TYR HA 1 50 TYR QD 2.395 . 2.990 2.655 1.987 3.077 0.087 2 0 "[ . 1 . 2]" 1
78 1 27 ASN H 1 27 ASN HB3 2.885 . 3.970 3.347 2.222 3.690 . 0 0 "[ . 1 . 2]" 1
79 1 27 ASN H 1 27 ASN HB2 2.885 . 3.970 2.874 2.387 3.730 . 0 0 "[ . 1 . 2]" 1
80 1 28 ILE HA 1 30 PHE QE 2.890 . 3.980 3.568 3.056 3.998 0.018 8 0 "[ . 1 . 2]" 1
81 1 22 SER HB3 1 25 SER H 2.975 . 4.150 4.156 2.921 4.255 0.105 7 0 "[ . 1 . 2]" 1
82 1 36 ASN H 1 36 ASN HB3 2.860 . 3.920 3.414 2.581 3.684 . 0 0 "[ . 1 . 2]" 1
83 1 36 ASN H 1 36 ASN HB2 2.860 . 3.920 2.833 2.295 3.794 . 0 0 "[ . 1 . 2]" 1
84 1 69 LYS H 1 69 LYS HB3 2.375 . 2.950 2.665 2.521 2.908 . 0 0 "[ . 1 . 2]" 1
85 1 26 ARG H 1 26 ARG HG3 2.850 . 3.900 2.984 1.795 4.088 0.188 20 0 "[ . 1 . 2]" 1
86 1 26 ARG H 1 26 ARG HB3 2.845 . 3.890 3.378 2.522 3.639 . 0 0 "[ . 1 . 2]" 1
87 1 26 ARG H 1 26 ARG HB2 2.845 . 3.890 2.682 2.104 3.630 . 0 0 "[ . 1 . 2]" 1
88 1 55 LEU H 1 55 LEU MD2 3.265 . 4.730 2.442 1.853 4.118 . 0 0 "[ . 1 . 2]" 1
89 1 55 LEU H 1 55 LEU MD1 3.265 . 4.730 3.582 2.198 4.279 . 0 0 "[ . 1 . 2]" 1
90 1 62 LYS HG2 1 62 LYS QZ 3.650 . 5.500 3.127 1.797 4.095 0.003 12 0 "[ . 1 . 2]" 1
91 1 62 LYS HG3 1 62 LYS QZ 3.650 . 5.500 3.333 1.973 4.133 . 0 0 "[ . 1 . 2]" 1
92 1 26 ARG H 1 26 ARG HG2 2.850 . 3.900 3.269 1.820 4.004 0.104 9 0 "[ . 1 . 2]" 1
93 1 26 ARG HB3 1 26 ARG HE 3.650 . 5.500 3.648 2.042 4.771 . 0 0 "[ . 1 . 2]" 1
94 1 26 ARG HB2 1 26 ARG HE 3.650 . 5.500 3.436 2.092 4.570 . 0 0 "[ . 1 . 2]" 1
95 1 69 LYS HA 1 69 LYS QD 3.650 . 5.500 3.995 3.895 4.219 . 0 0 "[ . 1 . 2]" 1
96 1 69 LYS HA 1 69 LYS HG3 2.785 . 3.770 2.451 2.337 2.583 . 0 0 "[ . 1 . 2]" 1
97 1 69 LYS HA 1 74 PHE HB3 3.650 . 5.500 3.927 3.718 4.129 . 0 0 "[ . 1 . 2]" 1
98 1 39 GLU H 1 39 GLU HB3 2.760 . 3.720 3.290 2.196 3.627 . 0 0 "[ . 1 . 2]" 1
99 1 9 LYS H 1 9 LYS QB 2.740 . 3.680 2.525 2.335 2.805 . 0 0 "[ . 1 . 2]" 1
100 1 9 LYS H 1 9 LYS QD 3.650 . 5.500 4.182 3.770 4.952 . 0 0 "[ . 1 . 2]" 1
101 1 9 LYS H 1 9 LYS HG2 3.330 . 4.860 3.481 2.601 4.546 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS H 1 9 LYS HG3 3.330 . 4.860 3.366 2.303 4.542 . 0 0 "[ . 1 . 2]" 1
103 1 9 LYS QB 1 9 LYS QE 3.650 . 5.500 3.504 1.807 3.832 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLN H 1 12 GLN HB3 2.765 . 3.730 3.570 3.545 3.609 . 0 0 "[ . 1 . 2]" 1
105 1 58 LEU H 1 58 LEU HB2 2.840 . 3.880 3.361 2.973 3.961 0.081 19 0 "[ . 1 . 2]" 1
106 1 58 LEU H 1 58 LEU HB3 2.840 . 3.880 2.973 2.892 3.383 . 0 0 "[ . 1 . 2]" 1
107 1 58 LEU H 1 58 LEU HG 3.260 . 4.720 4.472 2.492 4.682 . 0 0 "[ . 1 . 2]" 1
108 1 73 LYS H 1 73 LYS QE 3.650 . 5.500 4.429 3.790 5.469 . 0 0 "[ . 1 . 2]" 1
109 1 73 LYS H 1 73 LYS HD3 3.650 . 5.500 4.676 3.323 5.569 0.069 1 0 "[ . 1 . 2]" 1
110 1 28 ILE MG 1 30 PHE QE 3.195 . 4.590 2.740 2.535 2.940 . 0 0 "[ . 1 . 2]" 1
111 1 28 ILE HG12 1 30 PHE QE 3.280 . 4.760 3.276 2.488 3.886 . 0 0 "[ . 1 . 2]" 1
112 1 69 LYS QD 1 74 PHE HZ 3.140 . 4.480 3.627 2.607 4.507 0.027 9 0 "[ . 1 . 2]" 1
113 1 28 ILE H 1 28 ILE HB 2.580 . 3.360 2.379 2.313 2.443 . 0 0 "[ . 1 . 2]" 1
114 1 30 PHE HA 1 30 PHE QD 2.655 . 3.510 3.502 2.629 3.699 0.189 19 0 "[ . 1 . 2]" 1
115 1 74 PHE HA 1 74 PHE QD 2.850 . 3.900 3.042 2.839 3.135 . 0 0 "[ . 1 . 2]" 1
116 1 7 CYS H 1 30 PHE QD 3.290 . 4.780 4.648 4.099 4.818 0.038 14 0 "[ . 1 . 2]" 1
117 1 38 GLY H 1 39 GLU H 2.615 . 3.430 2.595 2.427 2.689 . 0 0 "[ . 1 . 2]" 1
118 1 62 LYS H 1 63 SER H 3.360 . 4.920 4.625 4.529 4.648 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLY H 1 17 THR H 2.635 . 3.470 2.112 1.708 2.885 0.092 8 0 "[ . 1 . 2]" 1
120 1 50 TYR QD 1 51 ASP H 2.650 . 3.500 3.074 1.861 3.543 0.043 18 0 "[ . 1 . 2]" 1
121 1 51 ASP H 1 52 GLY H 3.155 . 4.510 3.679 2.487 4.478 . 0 0 "[ . 1 . 2]" 1
122 1 72 GLU H 1 73 LYS H 2.425 . 3.050 2.290 1.913 2.518 . 0 0 "[ . 1 . 2]" 1
123 1 39 GLU H 1 76 CYS H 3.115 . 4.430 3.357 2.847 3.716 . 0 0 "[ . 1 . 2]" 1
124 1 8 ASP H 1 9 LYS H 2.370 . 2.940 2.196 1.774 2.487 0.026 1 0 "[ . 1 . 2]" 1
125 1 74 PHE QD 1 75 LYS H 3.045 . 4.290 4.297 4.211 4.343 0.053 14 0 "[ . 1 . 2]" 1
126 1 55 LEU H 1 56 SER H 2.630 . 3.460 2.958 2.076 3.540 0.080 10 0 "[ . 1 . 2]" 1
127 1 63 SER H 1 64 GLY H 3.335 . 4.870 4.497 4.364 4.553 . 0 0 "[ . 1 . 2]" 1
128 1 64 GLY H 1 65 LEU H 2.530 . 3.260 2.678 2.336 2.950 . 0 0 "[ . 1 . 2]" 1
129 1 23 ALA H 1 24 TRP HE3 3.455 . 5.110 3.976 3.337 4.197 . 0 0 "[ . 1 . 2]" 1
130 1 23 ALA H 1 24 TRP H 2.675 . 3.550 2.762 2.666 3.284 . 0 0 "[ . 1 . 2]" 1
131 1 26 ARG H 1 27 ASN H 2.655 . 3.510 3.095 2.589 3.558 0.048 20 0 "[ . 1 . 2]" 1
132 1 69 LYS H 1 74 PHE QE 3.030 . 4.260 3.606 3.415 3.872 . 0 0 "[ . 1 . 2]" 1
133 1 69 LYS H 1 74 PHE QD 2.910 . 4.020 3.646 3.399 4.032 0.012 16 0 "[ . 1 . 2]" 1
134 1 70 SER H 1 73 LYS H 3.205 . 4.610 4.445 4.109 4.645 0.035 20 0 "[ . 1 . 2]" 1
135 1 5 GLY H 1 6 ALA H 2.795 . 3.790 3.678 2.674 3.864 0.074 18 0 "[ . 1 . 2]" 1
136 1 30 PHE H 1 30 PHE QD 3.050 . 4.300 3.132 2.868 3.283 . 0 0 "[ . 1 . 2]" 1
137 1 18 CYS H 1 32 ILE H 3.070 . 4.340 2.923 2.371 3.373 . 0 0 "[ . 1 . 2]" 1
138 1 35 GLY H 1 62 LYS H 2.885 . 3.970 3.704 3.518 3.870 . 0 0 "[ . 1 . 2]" 1
139 1 15 SER H 1 16 GLY H 3.315 . 4.830 4.262 3.738 4.450 . 0 0 "[ . 1 . 2]" 1
140 1 57 SER H 1 58 LEU H 2.650 . 3.500 3.016 2.620 3.324 . 0 0 "[ . 1 . 2]" 1
141 1 11 VAL H 1 12 GLN H 2.775 . 3.750 2.767 2.685 2.893 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLN H 1 13 CYS H 2.460 . 3.120 2.572 2.427 2.659 . 0 0 "[ . 1 . 2]" 1
143 1 74 PHE H 1 74 PHE QD 2.595 . 3.390 2.404 2.152 2.826 . 0 0 "[ . 1 . 2]" 1
144 1 44 ALA H 1 45 SER H 2.875 . 3.950 2.603 1.873 3.207 . 0 0 "[ . 1 . 2]" 1
145 1 27 ASN H 1 28 ILE H 2.495 . 3.190 2.200 2.026 2.348 . 0 0 "[ . 1 . 2]" 1
146 1 6 ALA H 1 7 CYS H 2.675 . 3.550 2.365 2.186 2.579 . 0 0 "[ . 1 . 2]" 1
147 1 6 ALA H 1 30 PHE QD 3.100 . 4.400 2.499 1.971 2.607 . 0 0 "[ . 1 . 2]" 1
148 1 24 TRP H 1 24 TRP HE3 2.730 . 3.660 2.920 2.648 3.708 0.048 7 0 "[ . 1 . 2]" 1
149 1 68 SER H 1 75 LYS H 2.915 . 4.030 2.973 2.784 3.158 . 0 0 "[ . 1 . 2]" 1
150 1 70 SER H 1 75 LYS H 2.860 . 3.920 2.861 2.613 3.135 . 0 0 "[ . 1 . 2]" 1
151 1 70 SER H 1 71 GLY H 3.040 . 4.280 3.488 2.597 3.910 . 0 0 "[ . 1 . 2]" 1
152 1 31 CYS H 1 32 ILE H 3.065 . 4.330 4.082 3.954 4.296 . 0 0 "[ . 1 . 2]" 1
153 1 37 SER H 1 38 GLY H 3.330 . 4.860 4.534 4.470 4.579 . 0 0 "[ . 1 . 2]" 1
154 1 68 SER H 1 77 SER H 3.425 . 5.050 4.142 3.525 4.616 . 0 0 "[ . 1 . 2]" 1
155 1 66 THR H 1 67 CYS H 3.570 . 5.340 4.387 4.308 4.449 . 0 0 "[ . 1 . 2]" 1
156 1 76 CYS H 1 77 SER H 3.310 . 4.820 4.552 4.437 4.613 . 0 0 "[ . 1 . 2]" 1
157 1 74 PHE H 1 75 LYS H 3.260 . 4.720 4.472 4.313 4.533 . 0 0 "[ . 1 . 2]" 1
158 1 22 SER H 1 23 ALA H 3.235 . 4.670 4.587 4.519 4.622 . 0 0 "[ . 1 . 2]" 1
159 1 69 LYS H 1 70 SER H 3.205 . 4.610 4.349 4.261 4.495 . 0 0 "[ . 1 . 2]" 1
160 1 4 THR H 1 5 GLY H 2.910 . 4.020 1.985 1.744 2.531 0.056 5 0 "[ . 1 . 2]" 1
161 1 3 ILE H 1 4 THR H 3.080 . 4.360 4.152 3.470 4.419 0.059 11 0 "[ . 1 . 2]" 1
162 1 29 ARG H 1 30 PHE H 3.150 . 4.500 2.769 2.337 3.386 . 0 0 "[ . 1 . 2]" 1
163 1 36 ASN H 1 39 GLU H 3.105 . 4.410 4.172 3.701 4.414 0.004 6 0 "[ . 1 . 2]" 1
164 1 17 THR HB 1 18 CYS H 2.495 . 3.190 2.859 2.493 3.155 . 0 0 "[ . 1 . 2]" 1
165 1 18 CYS H 1 33 PRO HA 3.210 . 4.620 4.242 4.050 4.439 . 0 0 "[ . 1 . 2]" 1
166 1 17 THR HA 1 18 CYS H 2.495 . 3.190 2.317 2.246 2.420 . 0 0 "[ . 1 . 2]" 1
167 1 65 LEU MD1 1 66 THR H 3.370 . 4.940 4.015 2.432 4.641 . 0 0 "[ . 1 . 2]" 1
168 1 65 LEU QB 1 66 THR H 2.770 . 3.740 2.696 2.323 3.055 . 0 0 "[ . 1 . 2]" 1
169 1 65 LEU MD2 1 66 THR H 3.370 . 4.940 3.104 2.576 4.510 . 0 0 "[ . 1 . 2]" 1
170 1 62 LYS H 1 62 LYS HG2 2.780 . 3.760 2.468 1.832 3.744 . 0 0 "[ . 1 . 2]" 1
171 1 34 LEU HB3 1 62 LYS H 2.870 . 3.940 2.886 2.677 3.164 . 0 0 "[ . 1 . 2]" 1
172 1 34 LEU HB2 1 62 LYS H 3.280 . 4.760 3.885 3.517 4.361 . 0 0 "[ . 1 . 2]" 1
173 1 62 LYS H 1 62 LYS HG3 2.780 . 3.760 2.917 2.050 3.581 . 0 0 "[ . 1 . 2]" 1
174 1 34 LEU MD1 1 62 LYS H 3.650 . 5.500 4.616 3.689 5.447 . 0 0 "[ . 1 . 2]" 1
175 1 17 THR MG 1 18 CYS H 2.990 . 4.180 3.734 3.567 3.927 . 0 0 "[ . 1 . 2]" 1
176 1 17 THR MG 1 32 ILE H 3.325 . 4.850 4.212 3.859 4.434 . 0 0 "[ . 1 . 2]" 1
177 1 61 CYS HB2 1 62 LYS H 2.885 . 3.970 3.999 3.950 4.065 0.095 7 0 "[ . 1 . 2]" 1
178 1 46 HIS HB3 1 50 TYR QD 3.110 . 4.420 3.608 3.285 4.284 . 0 0 "[ . 1 . 2]" 1
179 1 43 PRO QD 1 74 PHE QD 2.805 . 3.810 3.201 2.931 3.836 0.026 5 0 "[ . 1 . 2]" 1
180 1 46 HIS HB2 1 50 TYR QD 3.110 . 4.420 2.202 1.736 4.299 0.064 16 0 "[ . 1 . 2]" 1
181 1 22 SER HB2 1 25 SER H 2.975 . 4.150 2.794 2.448 3.423 . 0 0 "[ . 1 . 2]" 1
182 1 69 LYS HA 1 74 PHE QD 2.620 . 3.440 3.345 3.103 3.475 0.035 12 0 "[ . 1 . 2]" 1
183 1 33 PRO HB2 1 34 LEU H 2.810 . 3.820 3.114 2.886 3.299 . 0 0 "[ . 1 . 2]" 1
184 1 33 PRO HB3 1 34 LEU H 2.865 . 3.930 3.494 3.380 3.612 . 0 0 "[ . 1 . 2]" 1
185 1 17 THR HA 1 33 PRO HA 2.670 . 3.540 2.548 2.429 2.640 . 0 0 "[ . 1 . 2]" 1
186 1 48 VAL HA 1 49 PRO HA 2.760 . 3.720 2.220 1.700 2.560 0.100 20 0 "[ . 1 . 2]" 1
187 1 40 ASP HA 1 75 LYS HA 2.940 . 4.080 2.365 1.945 2.894 . 0 0 "[ . 1 . 2]" 1
188 1 19 CYS HA 1 31 CYS HA 2.935 . 4.070 3.278 2.957 3.586 . 0 0 "[ . 1 . 2]" 1
189 1 32 ILE HA 1 33 PRO HD2 2.445 . 3.090 2.248 2.124 2.410 . 0 0 "[ . 1 . 2]" 1
190 1 59 CYS HA 1 60 PRO HD3 2.715 . 3.630 2.142 1.830 2.408 . 0 0 "[ . 1 . 2]" 1
191 1 32 ILE HA 1 33 PRO HD3 2.445 . 3.090 2.517 2.427 2.604 . 0 0 "[ . 1 . 2]" 1
192 1 6 ALA MB 1 30 PHE HA 3.025 . 4.250 3.171 1.795 3.961 0.005 6 0 "[ . 1 . 2]" 1
193 1 58 LEU HA 1 58 LEU HG 2.950 . 4.100 3.113 2.402 3.590 . 0 0 "[ . 1 . 2]" 1
194 1 20 ALA MB 1 57 SER HA 2.705 . 3.610 3.408 3.162 3.623 0.013 14 0 "[ . 1 . 2]" 1
195 1 53 LYS HA 1 53 LYS QG 2.900 . 4.000 3.335 2.787 3.504 . 0 0 "[ . 1 . 2]" 1
196 1 4 THR HA 1 4 THR MG 2.540 . 3.280 3.115 2.204 3.221 . 0 0 "[ . 1 . 2]" 1
197 1 66 THR HA 1 66 THR MG 2.550 . 3.300 2.339 2.246 2.416 . 0 0 "[ . 1 . 2]" 1
198 1 21 ALA MB 1 57 SER HA 2.755 . 3.710 2.558 2.033 2.952 . 0 0 "[ . 1 . 2]" 1
199 1 48 VAL MG1 1 49 PRO HA 3.010 . 4.220 2.025 1.752 3.860 0.048 17 0 "[ . 1 . 2]" 1
200 1 32 ILE HA 1 32 ILE MG 2.450 . 3.100 2.347 2.222 2.407 . 0 0 "[ . 1 . 2]" 1
201 1 48 VAL MG2 1 49 PRO HA 3.010 . 4.220 3.428 1.797 3.796 0.003 18 0 "[ . 1 . 2]" 1
202 1 17 THR HA 1 17 THR MG 2.405 . 3.010 2.272 2.181 2.358 . 0 0 "[ . 1 . 2]" 1
203 1 17 THR MG 1 33 PRO HA 2.425 . 3.050 2.152 1.860 2.443 . 0 0 "[ . 1 . 2]" 1
204 1 17 THR HB 1 33 PRO HA 3.290 . 4.780 4.091 3.833 4.468 . 0 0 "[ . 1 . 2]" 1
205 1 37 SER HA 1 77 SER HA 3.195 . 4.590 3.346 2.364 3.915 . 0 0 "[ . 1 . 2]" 1
206 1 43 PRO HA 1 74 PHE HB3 2.895 . 3.990 4.136 4.065 4.202 0.212 11 0 "[ . 1 . 2]" 1
207 1 12 GLN HA 1 12 GLN HG2 2.800 . 3.800 2.575 2.403 2.785 . 0 0 "[ . 1 . 2]" 1
208 1 28 ILE HB 1 32 ILE MG 3.060 . 4.320 4.094 3.761 4.386 0.066 14 0 "[ . 1 . 2]" 1
209 1 55 LEU HB2 1 55 LEU MD1 2.930 . 4.060 3.018 2.232 3.199 . 0 0 "[ . 1 . 2]" 1
210 1 55 LEU HB3 1 55 LEU MD1 2.930 . 4.060 2.475 2.270 3.196 . 0 0 "[ . 1 . 2]" 1
211 1 65 LEU QB 1 65 LEU MD1 3.015 . 4.230 2.091 1.996 2.322 . 0 0 "[ . 1 . 2]" 1
212 1 17 THR MG 1 33 PRO HB3 3.085 . 4.370 3.400 3.219 3.696 . 0 0 "[ . 1 . 2]" 1
213 1 55 LEU HB2 1 55 LEU MD2 2.930 . 4.060 2.426 2.121 3.198 . 0 0 "[ . 1 . 2]" 1
214 1 55 LEU HB3 1 55 LEU MD2 2.930 . 4.060 3.013 2.185 3.194 . 0 0 "[ . 1 . 2]" 1
215 1 65 LEU QB 1 65 LEU MD2 3.015 . 4.230 2.295 2.234 2.348 . 0 0 "[ . 1 . 2]" 1
216 1 28 ILE HG12 1 28 ILE MG 2.645 . 3.490 2.163 2.066 2.360 . 0 0 "[ . 1 . 2]" 1
217 1 43 PRO QD 1 74 PHE HB2 2.250 . 2.700 2.183 1.807 2.601 . 0 0 "[ . 1 . 2]" 1
218 1 61 CYS HB2 1 65 LEU QB 2.800 . 3.800 3.232 2.982 3.544 . 0 0 "[ . 1 . 2]" 1
219 1 9 LYS QB 1 11 VAL HB 2.365 . 2.930 2.792 2.455 2.990 0.060 7 0 "[ . 1 . 2]" 1
220 1 26 ARG HB2 1 26 ARG QD 2.865 . 3.930 2.690 2.343 3.466 . 0 0 "[ . 1 . 2]" 1
221 1 26 ARG HB3 1 26 ARG QD 2.865 . 3.930 2.851 2.307 3.520 . 0 0 "[ . 1 . 2]" 1
222 1 20 ALA MB 1 32 ILE HB 3.650 . 5.500 5.109 4.745 5.548 0.048 1 0 "[ . 1 . 2]" 1
223 1 3 ILE MD 1 3 ILE MG 3.300 . 4.800 2.092 1.800 3.199 0.000 19 0 "[ . 1 . 2]" 1
224 1 28 ILE HG13 1 28 ILE MG 2.645 . 3.490 2.678 2.494 3.190 . 0 0 "[ . 1 . 2]" 1
225 1 17 THR HB 1 32 ILE H 3.150 . 4.500 3.372 2.971 4.304 . 0 0 "[ . 1 . 2]" 1
226 1 41 CYS HA 1 42 HIS H 2.635 . 3.470 2.304 2.214 2.612 . 0 0 "[ . 1 . 2]" 1
227 1 15 SER QB 1 16 GLY H 2.840 . 3.880 3.570 3.373 3.883 0.003 11 0 "[ . 1 . 2]" 1
228 1 66 THR HB 1 67 CYS H 2.975 . 4.150 4.093 4.000 4.165 0.015 3 0 "[ . 1 . 2]" 1
229 1 71 GLY HA3 1 72 GLU H 2.260 . 2.720 2.248 2.127 2.551 . 0 0 "[ . 1 . 2]" 1
230 1 30 PHE HA 1 31 CYS H 2.365 . 2.930 2.704 2.618 2.835 . 0 0 "[ . 1 . 2]" 1
231 1 68 SER HA 1 69 LYS H 2.280 . 2.760 2.316 2.220 2.380 . 0 0 "[ . 1 . 2]" 1
232 1 25 SER HA 1 26 ARG H 2.325 . 2.850 2.216 2.120 2.328 . 0 0 "[ . 1 . 2]" 1
233 1 58 LEU HA 1 59 CYS H 2.570 . 3.340 2.171 2.122 2.447 . 0 0 "[ . 1 . 2]" 1
234 1 60 PRO HA 1 61 CYS H 2.480 . 3.160 2.611 2.329 2.809 . 0 0 "[ . 1 . 2]" 1
235 1 56 SER HA 1 57 SER H 2.435 . 3.070 2.259 2.160 2.434 . 0 0 "[ . 1 . 2]" 1
236 1 73 LYS HA 1 74 PHE H 2.500 . 3.200 2.572 2.274 2.868 . 0 0 "[ . 1 . 2]" 1
237 1 63 SER HA 1 64 GLY H 2.180 . 2.560 2.143 2.126 2.159 . 0 0 "[ . 1 . 2]" 1
238 1 22 SER HA 1 23 ALA H 2.335 . 2.870 2.174 2.121 2.235 . 0 0 "[ . 1 . 2]" 1
239 1 45 SER HA 1 46 HIS H 2.450 . 3.100 2.294 2.126 3.319 0.219 20 0 "[ . 1 . 2]" 1
240 1 47 LYS HA 1 48 VAL H 2.290 . 2.780 2.320 2.177 2.638 . 0 0 "[ . 1 . 2]" 1
241 1 2 VAL HA 1 3 ILE H 2.245 . 2.690 2.194 2.146 2.265 . 0 0 "[ . 1 . 2]" 1
242 1 35 GLY HA3 1 36 ASN H 2.520 . 3.240 2.979 2.849 3.098 . 0 0 "[ . 1 . 2]" 1
243 1 35 GLY HA2 1 36 ASN H 2.520 . 3.240 2.179 2.111 2.266 . 0 0 "[ . 1 . 2]" 1
244 1 63 SER QB 1 64 GLY H 2.770 . 3.740 3.275 3.106 3.515 . 0 0 "[ . 1 . 2]" 1
245 1 68 SER HB2 1 69 LYS H 2.820 . 3.840 3.837 2.796 3.926 0.086 18 0 "[ . 1 . 2]" 1
246 1 68 SER HB3 1 69 LYS H 2.820 . 3.840 3.462 2.721 3.859 0.019 11 0 "[ . 1 . 2]" 1
247 1 69 LYS HA 1 75 LYS H 2.980 . 4.160 3.327 3.104 3.686 . 0 0 "[ . 1 . 2]" 1
248 1 70 SER HB2 1 75 LYS H 3.290 . 4.780 3.533 2.981 3.917 . 0 0 "[ . 1 . 2]" 1
249 1 74 PHE HA 1 75 LYS H 2.440 . 3.080 2.164 2.127 2.213 . 0 0 "[ . 1 . 2]" 1
250 1 50 TYR HA 1 51 ASP H 2.390 . 2.980 2.215 2.101 2.350 . 0 0 "[ . 1 . 2]" 1
251 1 75 LYS HA 1 76 CYS H 2.320 . 2.840 2.263 2.171 2.340 . 0 0 "[ . 1 . 2]" 1
252 1 31 CYS HA 1 32 ILE H 2.300 . 2.800 2.305 2.120 2.394 . 0 0 "[ . 1 . 2]" 1
253 1 17 THR HA 1 32 ILE H 3.650 . 5.500 4.456 3.974 4.892 . 0 0 "[ . 1 . 2]" 1
254 1 19 CYS HA 1 32 ILE H 3.065 . 4.330 3.540 3.328 3.860 . 0 0 "[ . 1 . 2]" 1
255 1 67 CYS HA 1 68 SER H 2.400 . 3.000 2.179 2.152 2.251 . 0 0 "[ . 1 . 2]" 1
256 1 70 SER H 1 74 PHE HA 2.865 . 3.930 2.440 2.212 2.894 . 0 0 "[ . 1 . 2]" 1
257 1 70 SER HA 1 71 GLY H 2.445 . 3.090 2.472 2.291 2.772 . 0 0 "[ . 1 . 2]" 1
258 1 7 CYS H 1 30 PHE HA 2.765 . 3.730 2.835 2.481 3.200 . 0 0 "[ . 1 . 2]" 1
259 1 41 CYS H 1 75 LYS HA 2.645 . 3.490 2.714 2.389 3.100 . 0 0 "[ . 1 . 2]" 1
260 1 21 ALA H 1 57 SER HA 2.785 . 3.770 2.886 2.348 3.269 . 0 0 "[ . 1 . 2]" 1
261 1 17 THR HA 1 34 LEU H 2.740 . 3.680 3.139 2.896 3.338 . 0 0 "[ . 1 . 2]" 1
262 1 20 ALA HA 1 21 ALA H 2.615 . 3.430 2.402 2.217 2.716 . 0 0 "[ . 1 . 2]" 1
263 1 33 PRO HA 1 34 LEU H 2.320 . 2.840 2.185 2.136 2.277 . 0 0 "[ . 1 . 2]" 1
264 1 42 HIS HA 1 42 HIS HD2 2.955 . 4.110 2.558 2.223 4.332 0.222 19 0 "[ . 1 . 2]" 1
265 1 68 SER HA 1 74 PHE QD 2.715 . 3.630 2.950 2.482 3.484 . 0 0 "[ . 1 . 2]" 1
266 1 6 ALA HA 1 30 PHE QD 3.225 . 4.650 4.278 2.998 4.713 0.063 8 0 "[ . 1 . 2]" 1
267 1 73 LYS HA 1 74 PHE QD 3.160 . 4.520 2.918 2.791 3.088 . 0 0 "[ . 1 . 2]" 1
268 1 45 SER HA 1 50 TYR QD 3.275 . 4.750 4.412 3.716 4.970 0.220 20 0 "[ . 1 . 2]" 1
269 1 15 SER HA 1 17 THR H 3.000 . 4.200 3.702 3.489 4.042 . 0 0 "[ . 1 . 2]" 1
270 1 28 ILE HA 1 29 ARG H 2.290 . 2.780 2.122 2.083 2.162 . 0 0 "[ . 1 . 2]" 1
271 1 63 SER HA 1 65 LEU H 2.790 . 3.780 3.633 3.363 3.801 0.021 7 0 "[ . 1 . 2]" 1
272 1 25 SER HA 1 27 ASN H 3.185 . 4.570 3.938 3.485 4.380 . 0 0 "[ . 1 . 2]" 1
273 1 40 ASP HA 1 41 CYS H 2.295 . 2.790 2.206 2.153 2.258 . 0 0 "[ . 1 . 2]" 1
274 1 6 ALA H 1 30 PHE HA 3.150 . 4.500 2.699 1.903 3.199 . 0 0 "[ . 1 . 2]" 1
275 1 60 PRO HB2 1 61 CYS H 2.625 . 3.450 2.358 1.780 3.341 0.020 10 0 "[ . 1 . 2]" 1
276 1 39 GLU HG2 1 40 ASP H 3.240 . 4.680 4.149 2.983 4.724 0.044 19 0 "[ . 1 . 2]" 1
277 1 39 GLU HB2 1 40 ASP H 2.885 . 3.970 3.724 2.659 3.994 0.024 14 0 "[ . 1 . 2]" 1
278 1 39 GLU HB3 1 40 ASP H 2.885 . 3.970 3.008 2.447 4.052 0.082 18 0 "[ . 1 . 2]" 1
279 1 36 ASN HB3 1 37 SER H 2.705 . 3.610 2.572 1.800 3.783 0.173 10 0 "[ . 1 . 2]" 1
280 1 7 CYS QB 1 9 LYS H 2.975 . 4.150 3.217 2.797 3.669 . 0 0 "[ . 1 . 2]" 1
281 1 8 ASP HB2 1 9 LYS H 2.820 . 3.840 3.706 2.092 3.988 0.148 15 0 "[ . 1 . 2]" 1
282 1 8 ASP HB3 1 9 LYS H 2.820 . 3.840 2.683 2.347 3.860 0.020 20 0 "[ . 1 . 2]" 1
283 1 73 LYS HB3 1 74 PHE H 2.590 . 3.380 2.461 1.757 3.456 0.076 17 0 "[ . 1 . 2]" 1
284 1 73 LYS HB2 1 74 PHE H 2.590 . 3.380 2.957 1.770 3.578 0.198 3 0 "[ . 1 . 2]" 1
285 1 3 ILE HB 1 4 THR H 3.215 . 4.630 4.348 4.219 4.442 . 0 0 "[ . 1 . 2]" 1
286 1 26 ARG HB3 1 27 ASN H 3.320 . 4.840 4.398 4.087 4.664 . 0 0 "[ . 1 . 2]" 1
287 1 47 LYS QB 1 48 VAL H 2.615 . 3.430 2.653 2.077 3.477 0.047 9 0 "[ . 1 . 2]" 1
288 1 60 PRO HB3 1 61 CYS H 2.625 . 3.450 3.011 2.616 3.455 0.005 18 0 "[ . 1 . 2]" 1
289 1 40 ASP H 1 58 LEU MD1 3.330 . 4.860 4.584 3.706 4.892 0.032 4 0 "[ . 1 . 2]" 1
290 1 58 LEU H 1 58 LEU MD1 3.325 . 4.850 4.381 3.944 4.742 . 0 0 "[ . 1 . 2]" 1
291 1 22 SER H 1 28 ILE MG 3.650 . 5.500 3.011 2.492 3.404 . 0 0 "[ . 1 . 2]" 1
292 1 69 LYS HG3 1 70 SER H 2.705 . 3.610 3.588 3.181 3.749 0.139 8 0 "[ . 1 . 2]" 1
293 1 34 LEU MD2 1 35 GLY H 3.230 . 4.660 3.579 2.760 4.310 . 0 0 "[ . 1 . 2]" 1
294 1 17 THR H 1 17 THR MG 2.590 . 3.380 3.188 2.994 3.405 0.025 4 0 "[ . 1 . 2]" 1
295 1 24 TRP HZ2 1 28 ILE MG 3.090 . 4.380 3.989 3.216 4.405 0.025 5 0 "[ . 1 . 2]" 1
296 1 3 ILE MG 1 30 PHE HZ 3.035 . 4.270 3.313 2.096 4.209 . 0 0 "[ . 1 . 2]" 1
297 1 69 LYS HB2 1 74 PHE QE 2.665 . 3.530 3.054 2.806 3.218 . 0 0 "[ . 1 . 2]" 1
298 1 43 PRO HG3 1 74 PHE QE 3.030 . 4.260 3.452 3.186 3.705 . 0 0 "[ . 1 . 2]" 1
299 1 30 PHE QE 1 32 ILE MG 3.135 . 4.470 2.832 2.213 4.564 0.094 1 0 "[ . 1 . 2]" 1
300 1 3 ILE MG 1 30 PHE QE 3.065 . 4.330 2.244 1.780 3.176 0.020 11 0 "[ . 1 . 2]" 1
301 1 30 PHE QD 1 32 ILE MG 3.025 . 4.250 2.448 2.179 3.278 . 0 0 "[ . 1 . 2]" 1
302 1 69 LYS HB2 1 74 PHE QD 3.185 . 4.570 3.669 3.469 3.959 . 0 0 "[ . 1 . 2]" 1
303 1 28 ILE MG 1 30 PHE QD 2.750 . 3.700 2.938 2.113 3.355 . 0 0 "[ . 1 . 2]" 1
304 1 69 LYS HG3 1 74 PHE QD 2.695 . 3.590 3.245 2.715 3.595 0.005 12 0 "[ . 1 . 2]" 1
305 1 1 ALA MB 1 2 VAL H 2.865 . 3.930 2.828 1.910 3.727 . 0 0 "[ . 1 . 2]" 1
306 1 34 LEU HB2 1 35 GLY H 2.780 . 3.760 3.736 3.492 3.864 0.104 18 0 "[ . 1 . 2]" 1
307 1 4 THR MG 1 5 GLY H 3.030 . 4.260 2.769 1.892 4.326 0.066 14 0 "[ . 1 . 2]" 1
308 1 69 LYS H 1 69 LYS HB2 2.375 . 2.950 2.486 2.285 2.706 . 0 0 "[ . 1 . 2]" 1
309 1 3 ILE MG 1 4 THR H 2.780 . 3.760 3.166 2.711 3.853 0.093 6 0 "[ . 1 . 2]" 1
310 1 18 CYS HA 1 19 CYS H 2.570 . 3.340 2.412 2.313 2.496 . 0 0 "[ . 1 . 2]" 1
311 1 76 CYS HA 1 77 SER H 2.680 . 3.560 2.171 2.120 2.270 . 0 0 "[ . 1 . 2]" 1
312 1 65 LEU HA 1 66 THR H 2.520 . 3.240 2.265 2.177 2.403 . 0 0 "[ . 1 . 2]" 1
313 1 61 CYS HA 1 62 LYS H 2.335 . 2.870 2.195 2.172 2.241 . 0 0 "[ . 1 . 2]" 1
314 1 38 GLY H 1 77 SER HA 3.185 . 4.570 3.451 3.017 3.735 . 0 0 "[ . 1 . 2]" 1
315 1 37 SER HA 1 38 GLY H 2.355 . 2.910 2.153 2.131 2.192 . 0 0 "[ . 1 . 2]" 1
316 1 37 SER HB2 1 38 GLY H 3.115 . 4.430 4.142 3.996 4.247 . 0 0 "[ . 1 . 2]" 1
317 1 37 SER HB3 1 38 GLY H 3.115 . 4.430 3.390 3.265 4.108 . 0 0 "[ . 1 . 2]" 1
318 1 10 ASP HA 1 19 CYS H 2.670 . 3.540 2.690 2.053 3.138 . 0 0 "[ . 1 . 2]" 1
319 1 58 LEU MD1 1 59 CYS H 3.505 . 5.210 2.605 2.270 4.541 . 0 0 "[ . 1 . 2]" 1
320 1 66 THR MG 1 67 CYS H 2.665 . 3.530 2.453 2.058 2.729 . 0 0 "[ . 1 . 2]" 1
321 1 16 GLY H 1 34 LEU MD1 3.650 . 5.500 2.766 1.825 4.328 . 0 0 "[ . 1 . 2]" 1
322 1 75 LYS HB3 1 76 CYS H 2.770 . 3.740 2.616 2.494 2.890 . 0 0 "[ . 1 . 2]" 1
323 1 75 LYS HB2 1 76 CYS H 2.770 . 3.740 3.793 3.556 3.937 0.197 19 0 "[ . 1 . 2]" 1
324 1 58 LEU HG 1 59 CYS H 2.740 . 3.680 3.188 2.972 3.918 0.238 19 0 "[ . 1 . 2]" 1
325 1 47 LYS H 1 47 LYS QB 2.390 . 2.980 2.472 2.183 2.830 . 0 0 "[ . 1 . 2]" 1
326 1 30 PHE HB3 1 31 CYS H 2.705 . 3.610 3.108 2.294 3.358 . 0 0 "[ . 1 . 2]" 1
327 1 21 ALA MB 1 22 SER H 2.490 . 3.180 2.921 2.715 3.138 . 0 0 "[ . 1 . 2]" 1
328 1 69 LYS HG2 1 70 SER H 2.780 . 3.760 3.515 3.153 3.794 0.034 11 0 "[ . 1 . 2]" 1
329 1 69 LYS H 1 69 LYS HG3 3.165 . 4.530 4.404 4.196 4.538 0.008 12 0 "[ . 1 . 2]" 1
330 1 69 LYS H 1 69 LYS HG2 3.190 . 4.580 4.520 4.440 4.571 . 0 0 "[ . 1 . 2]" 1
331 1 2 VAL QG 1 3 ILE H 2.885 . 3.970 2.268 2.021 2.593 . 0 0 "[ . 1 . 2]" 1
332 1 39 GLU HG3 1 40 ASP H 3.240 . 4.680 4.113 2.077 4.783 0.103 12 0 "[ . 1 . 2]" 1
333 1 29 ARG HB3 1 30 PHE H 3.155 . 4.510 4.321 4.206 4.467 . 0 0 "[ . 1 . 2]" 1
334 1 61 CYS HB3 1 62 LYS H 2.720 . 3.640 2.991 2.855 3.158 . 0 0 "[ . 1 . 2]" 1
335 1 66 THR HA 1 67 CYS H 2.295 . 2.790 2.174 2.153 2.217 . 0 0 "[ . 1 . 2]" 1
336 1 15 SER HA 1 16 GLY H 2.290 . 2.780 2.171 2.086 2.444 . 0 0 "[ . 1 . 2]" 1
337 1 21 ALA HA 1 22 SER H 2.425 . 3.050 2.258 2.216 2.327 . 0 0 "[ . 1 . 2]" 1
338 1 74 PHE HB3 1 75 LYS H 2.815 . 3.830 3.219 3.013 3.477 . 0 0 "[ . 1 . 2]" 1
339 1 7 CYS QB 1 8 ASP H 2.680 . 3.560 2.491 1.683 2.921 0.117 18 0 "[ . 1 . 2]" 1
340 1 30 PHE HB2 1 31 CYS H 2.705 . 3.610 1.948 1.743 2.699 0.057 16 0 "[ . 1 . 2]" 1
341 1 36 ASN HB2 1 37 SER H 2.705 . 3.610 2.975 1.795 3.686 0.076 20 0 "[ . 1 . 2]" 1
342 1 39 GLU HA 1 40 ASP H 2.280 . 2.760 2.260 2.165 2.372 . 0 0 "[ . 1 . 2]" 1
343 1 34 LEU HA 1 35 GLY H 2.530 . 3.260 2.389 2.315 2.489 . 0 0 "[ . 1 . 2]" 1
344 1 4 THR HB 1 5 GLY H 3.180 . 4.560 4.255 4.007 4.574 0.014 2 0 "[ . 1 . 2]" 1
345 1 1 ALA HA 1 2 VAL H 2.455 . 3.110 2.345 2.252 2.960 . 0 0 "[ . 1 . 2]" 1
346 1 13 CYS HA 1 14 GLY H 2.505 . 3.210 2.683 2.145 3.492 0.282 19 0 "[ . 1 . 2]" 1
347 1 62 LYS HA 1 63 SER H 2.215 . 2.630 2.310 2.240 2.589 . 0 0 "[ . 1 . 2]" 1
348 1 13 CYS HB3 1 14 GLY H 3.205 . 4.610 2.718 1.836 3.897 . 0 0 "[ . 1 . 2]" 1
349 1 5 GLY HA2 1 6 ALA H 2.450 . 3.100 2.159 2.092 2.470 . 0 0 "[ . 1 . 2]" 1
350 1 37 SER HA 1 39 GLU H 2.935 . 4.070 3.448 3.305 3.717 . 0 0 "[ . 1 . 2]" 1
351 1 3 ILE HA 1 4 THR H 2.225 . 2.650 2.224 2.127 2.545 . 0 0 "[ . 1 . 2]" 1
352 1 11 VAL HA 1 13 CYS H 3.110 . 4.420 4.012 3.844 4.278 . 0 0 "[ . 1 . 2]" 1
353 1 28 ILE MG 1 29 ARG H 2.590 . 3.380 2.543 2.329 2.823 . 0 0 "[ . 1 . 2]" 1
354 1 11 VAL MG1 1 12 GLN H 3.035 . 4.270 3.517 2.115 3.865 . 0 0 "[ . 1 . 2]" 1
355 1 11 VAL MG2 1 12 GLN H 3.035 . 4.270 3.894 3.771 4.146 . 0 0 "[ . 1 . 2]" 1
356 1 44 ALA MB 1 45 SER H 3.055 . 4.310 3.070 2.638 3.672 . 0 0 "[ . 1 . 2]" 1
357 1 20 ALA MB 1 21 ALA H 2.625 . 3.450 2.379 1.813 2.855 . 0 0 "[ . 1 . 2]" 1
358 1 20 ALA MB 1 58 LEU H 3.115 . 4.430 2.832 2.448 3.137 . 0 0 "[ . 1 . 2]" 1
359 1 21 ALA MB 1 58 LEU H 3.495 . 5.190 4.760 4.195 5.194 0.004 2 0 "[ . 1 . 2]" 1
360 1 28 ILE HG13 1 30 PHE HZ 3.650 . 5.500 3.377 2.495 4.235 . 0 0 "[ . 1 . 2]" 1
361 1 28 ILE MG 1 30 PHE HZ 2.895 . 3.990 3.116 2.787 4.038 0.048 18 0 "[ . 1 . 2]" 1
362 1 69 LYS HG3 1 74 PHE QE 3.105 . 4.410 3.316 2.916 3.653 . 0 0 "[ . 1 . 2]" 1
363 1 69 LYS HG3 1 74 PHE HZ 3.410 . 5.020 4.625 3.841 5.090 0.070 8 0 "[ . 1 . 2]" 1
364 1 17 THR MG 1 34 LEU H 3.105 . 4.410 3.618 3.413 3.790 . 0 0 "[ . 1 . 2]" 1
365 1 34 LEU H 1 34 LEU MD2 3.245 . 4.690 3.763 3.433 4.030 . 0 0 "[ . 1 . 2]" 1
366 1 43 PRO HG3 1 74 PHE HZ 3.645 . 5.490 4.261 3.800 4.772 . 0 0 "[ . 1 . 2]" 1
367 1 69 LYS HB2 1 74 PHE HZ 3.315 . 4.830 3.200 3.002 3.509 . 0 0 "[ . 1 . 2]" 1
368 1 28 ILE HG13 1 30 PHE QE 3.280 . 4.760 2.909 1.831 4.227 . 0 0 "[ . 1 . 2]" 1
369 1 34 LEU H 1 34 LEU MD1 3.245 . 4.690 3.150 2.301 3.825 . 0 0 "[ . 1 . 2]" 1
370 1 62 LYS HG3 1 63 SER H 3.400 . 5.000 4.162 3.314 5.073 0.073 9 0 "[ . 1 . 2]" 1
371 1 62 LYS HG2 1 63 SER H 3.400 . 5.000 4.759 4.166 5.121 0.121 12 0 "[ . 1 . 2]" 1
372 1 26 ARG HB2 1 27 ASN H 3.320 . 4.840 4.164 3.308 4.460 . 0 0 "[ . 1 . 2]" 1
373 1 53 LYS H 1 53 LYS QG 2.685 . 3.570 2.432 2.117 2.966 . 0 0 "[ . 1 . 2]" 1
374 1 39 GLU H 1 76 CYS HB3 3.130 . 4.460 4.486 4.280 4.565 0.105 5 0 "[ . 1 . 2]" 1
375 1 39 GLU H 1 76 CYS HB2 3.130 . 4.460 2.820 2.557 3.102 . 0 0 "[ . 1 . 2]" 1
376 1 71 GLY HA3 1 73 LYS H 3.045 . 4.290 4.227 3.772 4.419 0.129 18 0 "[ . 1 . 2]" 1
377 1 43 PRO HA 1 45 SER H 3.280 . 4.760 4.232 3.557 4.923 0.163 10 0 "[ . 1 . 2]" 1
378 1 24 TRP HB2 1 24 TRP HD1 2.690 . 3.580 2.738 2.699 2.770 . 0 0 "[ . 1 . 2]" 1
379 1 24 TRP HB3 1 24 TRP HE3 2.715 . 3.630 2.498 2.468 2.540 . 0 0 "[ . 1 . 2]" 1
380 1 69 LYS HA 1 74 PHE QE 3.270 . 4.740 4.129 3.902 4.335 . 0 0 "[ . 1 . 2]" 1
381 1 34 LEU H 1 34 LEU HB2 2.295 . 2.790 2.276 2.130 2.457 . 0 0 "[ . 1 . 2]" 1
382 1 34 LEU H 1 34 LEU HB3 2.750 . 3.700 3.512 3.351 3.615 . 0 0 "[ . 1 . 2]" 1
383 1 6 ALA MB 1 30 PHE QD 2.600 . 3.400 2.821 1.795 3.192 0.005 6 0 "[ . 1 . 2]" 1
384 1 6 ALA MB 1 7 CYS H 2.470 . 3.140 3.072 2.621 3.206 0.066 12 0 "[ . 1 . 2]" 1
385 1 23 ALA MB 1 24 TRP HE3 2.785 . 3.770 3.330 2.941 3.563 . 0 0 "[ . 1 . 2]" 1
386 1 23 ALA MB 1 24 TRP H 2.855 . 3.910 2.977 2.868 3.672 . 0 0 "[ . 1 . 2]" 1
387 1 43 PRO HG3 1 74 PHE QD 3.200 . 4.600 3.298 2.669 3.637 . 0 0 "[ . 1 . 2]" 1
388 1 51 ASP HA 1 52 GLY H 2.680 . 3.560 2.572 2.092 3.511 . 0 0 "[ . 1 . 2]" 1
389 1 50 TYR QE 1 52 GLY HA2 3.155 . 4.510 4.272 2.840 4.630 0.120 15 0 "[ . 1 . 2]" 1
390 1 50 TYR QE 1 52 GLY HA3 3.155 . 4.510 3.180 2.584 4.573 0.063 19 0 "[ . 1 . 2]" 1
391 1 45 SER HA 1 50 TYR QE 2.930 . 4.060 3.620 2.620 4.119 0.059 2 0 "[ . 1 . 2]" 1
392 1 71 GLY H 1 72 GLU H 3.050 . 4.300 3.986 3.490 4.312 0.012 15 0 "[ . 1 . 2]" 1
393 1 67 CYS H 1 68 SER H 3.310 . 4.820 4.488 4.403 4.566 . 0 0 "[ . 1 . 2]" 1
394 1 23 ALA H 1 24 TRP HZ3 3.460 . 5.120 4.404 3.473 4.744 . 0 0 "[ . 1 . 2]" 1
395 1 23 ALA H 1 25 SER H 3.515 . 5.230 4.363 4.137 4.647 . 0 0 "[ . 1 . 2]" 1
396 1 6 ALA H 1 30 PHE QE 3.300 . 4.800 4.703 3.994 4.885 0.085 19 0 "[ . 1 . 2]" 1
397 1 27 ASN H 1 27 ASN HD22 3.485 . 5.170 4.419 3.627 5.394 0.224 1 0 "[ . 1 . 2]" 1
398 1 24 TRP H 1 25 SER H 2.495 . 3.190 2.360 1.791 2.455 0.009 7 0 "[ . 1 . 2]" 1
399 1 50 TYR QE 1 53 LYS H 3.170 . 4.540 3.202 1.855 4.669 0.129 10 0 "[ . 1 . 2]" 1
400 1 52 GLY H 1 53 LYS H 3.555 . 5.310 4.181 2.775 4.526 . 0 0 "[ . 1 . 2]" 1
401 1 50 TYR QD 1 52 GLY H 2.970 . 4.140 3.254 2.174 4.209 0.069 18 0 "[ . 1 . 2]" 1
402 1 46 HIS HD2 1 50 TYR QE 2.900 . 4.000 2.762 1.800 4.120 0.120 20 0 "[ . 1 . 2]" 1
403 1 46 HIS HD2 1 50 TYR QD 3.140 . 4.480 3.992 3.144 4.628 0.148 7 0 "[ . 1 . 2]" 1
404 1 50 TYR QE 1 52 GLY H 3.345 . 4.890 4.312 2.648 4.941 0.051 3 0 "[ . 1 . 2]" 1
405 1 10 ASP HA 1 18 CYS HA 3.415 . 5.030 3.508 2.617 4.295 . 0 0 "[ . 1 . 2]" 1
406 1 69 LYS HA 1 74 PHE HA 2.590 . 3.380 1.865 1.669 2.167 0.131 10 0 "[ . 1 . 2]" 1
407 1 59 CYS HA 1 60 PRO HD2 2.715 . 3.630 2.691 2.290 3.142 . 0 0 "[ . 1 . 2]" 1
408 1 42 HIS HA 1 74 PHE HB2 2.790 . 3.780 3.663 3.319 3.862 0.082 16 0 "[ . 1 . 2]" 1
409 1 10 ASP HB2 1 49 PRO HA 3.270 . 4.740 4.007 1.915 4.873 0.133 14 0 "[ . 1 . 2]" 1
410 1 10 ASP HB3 1 49 PRO HA 3.270 . 4.740 3.434 2.678 4.257 . 0 0 "[ . 1 . 2]" 1
411 1 42 HIS HA 1 43 PRO QD 2.460 . 3.120 1.850 1.782 2.032 0.018 11 0 "[ . 1 . 2]" 1
412 1 40 ASP HB2 1 58 LEU MD1 3.410 . 5.020 4.081 2.867 5.049 0.029 19 0 "[ . 1 . 2]" 1
413 1 40 ASP HB3 1 58 LEU MD1 3.410 . 5.020 3.975 3.014 5.053 0.033 11 0 "[ . 1 . 2]" 1
414 1 37 SER HA 1 65 LEU MD1 3.315 . 4.830 2.515 1.840 3.318 . 0 0 "[ . 1 . 2]" 1
415 1 2 VAL HA 1 2 VAL QG 2.875 . 3.950 2.312 2.213 2.378 . 0 0 "[ . 1 . 2]" 1
416 1 28 ILE HA 1 28 ILE MG 2.520 . 3.240 2.503 2.410 2.606 . 0 0 "[ . 1 . 2]" 1
417 1 37 SER HA 1 65 LEU MD2 3.315 . 4.830 3.490 2.525 4.529 . 0 0 "[ . 1 . 2]" 1
418 1 39 GLU HA 1 39 GLU HG2 2.860 . 3.920 2.919 2.435 3.840 . 0 0 "[ . 1 . 2]" 1
419 1 39 GLU HA 1 39 GLU HG3 2.860 . 3.920 3.342 2.764 3.732 . 0 0 "[ . 1 . 2]" 1
420 1 72 GLU HA 1 72 GLU QG 2.755 . 3.710 2.785 2.269 3.448 . 0 0 "[ . 1 . 2]" 1
421 1 12 GLN HA 1 12 GLN HG3 2.800 . 3.800 2.847 2.595 3.277 . 0 0 "[ . 1 . 2]" 1
422 1 34 LEU HA 1 59 CYS HB2 2.745 . 3.690 2.412 2.104 2.663 . 0 0 "[ . 1 . 2]" 1
423 1 34 LEU HA 1 59 CYS HB3 2.745 . 3.690 1.990 1.815 2.279 . 0 0 "[ . 1 . 2]" 1
424 1 26 ARG HA 1 26 ARG QD 3.615 . 5.430 3.635 1.986 4.570 . 0 0 "[ . 1 . 2]" 1
425 1 43 PRO HA 1 74 PHE HB2 3.650 . 5.500 4.341 3.970 4.708 . 0 0 "[ . 1 . 2]" 1
426 1 32 ILE MG 1 33 PRO HD3 2.900 . 4.000 4.005 3.857 4.039 0.039 15 0 "[ . 1 . 2]" 1
427 1 47 LYS HA 1 47 LYS QB 2.400 . 3.000 2.234 2.160 2.383 . 0 0 "[ . 1 . 2]" 1
428 1 34 LEU HB3 1 62 LYS HA 2.925 . 4.050 2.597 2.322 2.944 . 0 0 "[ . 1 . 2]" 1
429 1 34 LEU HB2 1 62 LYS HA 2.795 . 3.790 2.735 2.369 3.351 . 0 0 "[ . 1 . 2]" 1
430 1 62 LYS HA 1 62 LYS QD 3.100 . 4.400 4.325 3.844 4.515 0.115 17 0 "[ . 1 . 2]" 1
431 1 48 VAL HA 1 48 VAL MG1 2.785 . 3.770 2.511 2.350 3.219 . 0 0 "[ . 1 . 2]" 1
432 1 48 VAL HA 1 48 VAL MG2 2.785 . 3.770 2.360 2.209 2.538 . 0 0 "[ . 1 . 2]" 1
433 1 3 ILE HA 1 3 ILE MG 2.685 . 3.570 2.345 2.253 2.473 . 0 0 "[ . 1 . 2]" 1
434 1 22 SER HA 1 23 ALA MB 3.190 . 4.580 3.961 3.881 4.028 . 0 0 "[ . 1 . 2]" 1
435 1 32 ILE MG 1 33 PRO HD2 2.900 . 4.000 2.996 2.870 3.135 . 0 0 "[ . 1 . 2]" 1
436 1 11 VAL HA 1 11 VAL MG1 2.590 . 3.380 2.494 2.237 3.183 . 0 0 "[ . 1 . 2]" 1
437 1 11 VAL HA 1 11 VAL MG2 2.590 . 3.380 2.382 2.025 2.497 . 0 0 "[ . 1 . 2]" 1
438 1 9 LYS QD 1 11 VAL HB 3.195 . 4.590 4.125 2.470 4.754 0.164 20 0 "[ . 1 . 2]" 1
439 1 61 CYS HB3 1 65 LEU QB 2.615 . 3.430 2.017 1.770 2.293 0.030 17 0 "[ . 1 . 2]" 1
440 1 7 CYS QB 1 12 GLN HB2 3.315 . 4.830 2.223 1.965 2.498 . 0 0 "[ . 1 . 2]" 1
441 1 7 CYS QB 1 12 GLN HB3 3.315 . 4.830 2.992 2.696 3.281 . 0 0 "[ . 1 . 2]" 1
442 1 65 LEU H 1 66 THR H 3.565 . 5.330 4.574 4.528 4.595 . 0 0 "[ . 1 . 2]" 1
443 1 14 GLY H 1 15 SER H 3.130 . 4.460 4.437 4.120 4.588 0.128 2 0 "[ . 1 . 2]" 1
444 1 68 SER H 1 74 PHE QD 3.600 . 5.400 3.946 3.702 4.247 . 0 0 "[ . 1 . 2]" 1
445 1 70 SER H 1 74 PHE QD 3.375 . 4.950 4.666 4.443 4.907 . 0 0 "[ . 1 . 2]" 1
446 1 22 SER H 1 25 SER H 3.485 . 5.170 4.637 4.221 4.940 . 0 0 "[ . 1 . 2]" 1
447 1 73 LYS H 1 74 PHE H 3.390 . 4.980 4.430 4.239 4.552 . 0 0 "[ . 1 . 2]" 1
448 1 9 LYS H 1 11 VAL H 3.525 . 5.250 4.883 4.484 5.186 . 0 0 "[ . 1 . 2]" 1
449 1 40 ASP H 1 41 CYS H 3.345 . 4.890 4.603 4.576 4.634 . 0 0 "[ . 1 . 2]" 1
450 1 45 SER H 1 46 HIS H 3.650 . 5.500 4.253 2.133 4.590 . 0 0 "[ . 1 . 2]" 1
451 1 20 ALA MB 1 32 ILE MG 3.465 . 5.130 4.467 4.026 5.069 . 0 0 "[ . 1 . 2]" 1
452 1 28 ILE MG 1 32 ILE MG 2.810 . 3.820 2.154 1.960 2.317 . 0 0 "[ . 1 . 2]" 1
453 1 3 ILE MG 1 28 ILE MG 3.300 . 4.800 4.016 3.021 4.871 0.071 1 0 "[ . 1 . 2]" 1
454 1 17 THR MG 1 33 PRO HB2 3.275 . 4.750 4.404 4.263 4.652 . 0 0 "[ . 1 . 2]" 1
455 1 20 ALA MB 1 32 ILE H 3.650 . 5.500 4.718 4.312 5.353 . 0 0 "[ . 1 . 2]" 1
456 1 65 LEU HG 1 66 THR H 3.375 . 4.950 4.808 4.676 4.951 0.001 19 0 "[ . 1 . 2]" 1
457 1 40 ASP HA 1 76 CYS H 3.250 . 4.700 3.877 3.409 4.433 . 0 0 "[ . 1 . 2]" 1
458 1 68 SER HA 1 75 LYS H 3.540 . 5.280 4.647 4.385 4.890 . 0 0 "[ . 1 . 2]" 1
459 1 68 SER HA 1 74 PHE QE 3.215 . 4.630 3.603 3.052 4.253 . 0 0 "[ . 1 . 2]" 1
460 1 22 SER HA 1 24 TRP H 3.650 . 5.500 3.952 3.799 4.091 . 0 0 "[ . 1 . 2]" 1
461 1 35 GLY H 1 62 LYS HA 3.285 . 4.770 4.789 4.625 4.865 0.095 10 0 "[ . 1 . 2]" 1
462 1 61 CYS HB3 1 66 THR H 3.650 . 5.500 4.387 4.030 4.668 . 0 0 "[ . 1 . 2]" 1
463 1 38 GLY H 1 76 CYS HB3 3.285 . 4.770 4.119 3.681 4.649 . 0 0 "[ . 1 . 2]" 1
464 1 16 GLY H 1 17 THR MG 3.650 . 5.500 4.654 4.283 4.983 . 0 0 "[ . 1 . 2]" 1
465 1 16 GLY H 1 34 LEU MD2 3.650 . 5.500 3.462 2.371 5.052 . 0 0 "[ . 1 . 2]" 1
466 1 69 LYS HG2 1 71 GLY H 3.305 . 4.810 2.820 2.247 3.342 . 0 0 "[ . 1 . 2]" 1
467 1 69 LYS HB2 1 70 SER H 3.165 . 4.530 4.417 4.292 4.501 . 0 0 "[ . 1 . 2]" 1
468 1 69 LYS HB3 1 70 SER H 3.200 . 4.600 4.269 4.031 4.379 . 0 0 "[ . 1 . 2]" 1
469 1 6 ALA MB 1 31 CYS H 3.165 . 4.530 2.810 2.537 3.008 . 0 0 "[ . 1 . 2]" 1
470 1 21 ALA MB 1 57 SER H 3.250 . 4.700 4.181 3.483 4.720 0.020 19 0 "[ . 1 . 2]" 1
471 1 9 LYS QB 1 11 VAL H 3.250 . 4.700 2.569 2.379 2.945 . 0 0 "[ . 1 . 2]" 1
472 1 29 ARG HB2 1 30 PHE H 3.155 . 4.510 4.436 4.211 4.600 0.090 17 0 "[ . 1 . 2]" 1
473 1 8 ASP H 1 12 GLN HB2 3.575 . 5.350 3.841 3.415 4.170 . 0 0 "[ . 1 . 2]" 1
474 1 74 PHE HB2 1 75 LYS H 3.175 . 4.550 4.255 4.145 4.408 . 0 0 "[ . 1 . 2]" 1
475 1 34 LEU HA 1 59 CYS H 3.650 . 5.500 4.496 4.222 4.724 . 0 0 "[ . 1 . 2]" 1
476 1 69 LYS HA 1 71 GLY H 3.320 . 4.840 4.408 3.831 4.870 0.030 4 0 "[ . 1 . 2]" 1
477 1 70 SER HB2 1 71 GLY H 3.560 . 5.320 4.469 4.213 4.648 . 0 0 "[ . 1 . 2]" 1
478 1 24 TRP HA 1 24 TRP HE3 3.650 . 5.500 4.304 4.197 4.394 . 0 0 "[ . 1 . 2]" 1
479 1 73 LYS H 1 74 PHE HA 3.650 . 5.500 5.149 4.886 5.277 . 0 0 "[ . 1 . 2]" 1
480 1 66 THR H 1 67 CYS HA 3.650 . 5.500 4.940 4.753 5.063 . 0 0 "[ . 1 . 2]" 1
481 1 67 CYS HA 1 77 SER H 3.650 . 5.500 3.431 2.974 3.737 . 0 0 "[ . 1 . 2]" 1
482 1 2 VAL QG 1 4 THR H 3.480 . 5.160 3.474 2.474 4.006 . 0 0 "[ . 1 . 2]" 1
483 1 3 ILE MD 1 4 THR H 3.650 . 5.500 3.897 3.516 4.879 . 0 0 "[ . 1 . 2]" 1
484 1 73 LYS HG3 1 74 PHE H 3.360 . 4.920 4.294 2.998 5.000 0.080 3 0 "[ . 1 . 2]" 1
485 1 73 LYS HG2 1 74 PHE H 3.360 . 4.920 4.283 3.523 4.985 0.065 11 0 "[ . 1 . 2]" 1
486 1 2 VAL HB 1 3 ILE H 3.235 . 4.670 4.118 4.074 4.168 . 0 0 "[ . 1 . 2]" 1
487 1 35 GLY H 1 59 CYS HB3 3.220 . 4.640 3.360 2.977 3.656 . 0 0 "[ . 1 . 2]" 1
488 1 35 GLY H 1 59 CYS HB2 3.220 . 4.640 3.687 3.238 3.961 . 0 0 "[ . 1 . 2]" 1
489 1 67 CYS HB3 1 68 SER H 3.365 . 4.930 4.179 3.692 4.349 . 0 0 "[ . 1 . 2]" 1
490 1 68 SER H 1 74 PHE HB3 3.650 . 5.500 3.812 3.381 4.138 . 0 0 "[ . 1 . 2]" 1
491 1 48 VAL H 1 60 PRO QG 3.170 . 4.540 3.817 2.409 4.581 0.041 7 0 "[ . 1 . 2]" 1
492 1 70 SER HB3 1 71 GLY H 3.560 . 5.320 4.359 4.147 4.493 . 0 0 "[ . 1 . 2]" 1
493 1 70 SER HB3 1 75 LYS H 3.290 . 4.780 4.419 3.423 4.910 0.130 12 0 "[ . 1 . 2]" 1
494 1 26 ARG H 1 26 ARG QD 3.585 . 5.370 3.452 1.859 4.486 . 0 0 "[ . 1 . 2]" 1
495 1 60 PRO QG 1 61 CYS H 3.650 . 5.500 3.992 3.309 4.497 . 0 0 "[ . 1 . 2]" 1
496 1 69 LYS HB3 1 74 PHE QD 3.650 . 5.500 4.939 4.779 5.151 . 0 0 "[ . 1 . 2]" 1
497 1 18 CYS H 1 32 ILE HB 3.650 . 5.500 5.055 4.855 5.270 . 0 0 "[ . 1 . 2]" 1
498 1 62 LYS H 1 65 LEU QB 3.440 . 5.080 3.125 2.790 3.360 . 0 0 "[ . 1 . 2]" 1
499 1 56 SER HB3 1 58 LEU H 3.650 . 5.500 3.036 2.550 4.291 . 0 0 "[ . 1 . 2]" 1
500 1 50 TYR QD 1 51 ASP HA 3.650 . 5.500 4.658 4.124 5.052 . 0 0 "[ . 1 . 2]" 1
501 1 17 THR HB 1 34 LEU H 3.650 . 5.500 5.485 5.276 5.608 0.108 7 0 "[ . 1 . 2]" 1
502 1 22 SER HA 1 24 TRP HH2 3.650 . 5.500 5.095 4.463 5.469 . 0 0 "[ . 1 . 2]" 1
503 1 28 ILE HG12 1 30 PHE HZ 3.650 . 5.500 3.234 2.152 4.723 . 0 0 "[ . 1 . 2]" 1
504 1 69 LYS HG2 1 74 PHE QE 3.650 . 5.500 4.764 4.455 5.002 . 0 0 "[ . 1 . 2]" 1
505 1 9 LYS H 1 12 GLN HB2 3.650 . 5.500 3.738 3.283 4.201 . 0 0 "[ . 1 . 2]" 1
506 1 9 LYS H 1 11 VAL HB 3.595 . 5.390 5.344 4.910 5.576 0.186 9 0 "[ . 1 . 2]" 1
507 1 11 VAL HB 1 12 GLN H 3.300 . 4.800 2.998 2.740 3.857 . 0 0 "[ . 1 . 2]" 1
508 1 42 HIS HB2 1 45 SER H 3.465 . 5.130 3.396 2.811 4.974 . 0 0 "[ . 1 . 2]" 1
509 1 42 HIS HB3 1 45 SER H 3.465 . 5.130 3.219 2.554 4.874 . 0 0 "[ . 1 . 2]" 1
510 1 41 CYS H 1 74 PHE HB2 3.635 . 5.470 3.787 3.580 3.954 . 0 0 "[ . 1 . 2]" 1
511 1 61 CYS HB3 1 65 LEU H 3.650 . 5.500 4.074 3.679 4.267 . 0 0 "[ . 1 . 2]" 1
512 1 13 CYS HB2 1 14 GLY H 3.205 . 4.610 3.200 1.871 4.163 . 0 0 "[ . 1 . 2]" 1
513 1 28 ILE HB 1 29 ARG H 3.490 . 5.180 4.277 4.171 4.401 . 0 0 "[ . 1 . 2]" 1
514 1 34 LEU HB3 1 63 SER H 3.650 . 5.500 4.836 4.576 5.244 . 0 0 "[ . 1 . 2]" 1
515 1 37 SER H 1 62 LYS QD 3.650 . 5.500 4.290 3.463 5.014 . 0 0 "[ . 1 . 2]" 1
516 1 18 CYS H 1 31 CYS HA 3.450 . 5.100 3.588 3.140 4.352 . 0 0 "[ . 1 . 2]" 1
517 1 6 ALA HA 1 31 CYS H 3.650 . 5.500 5.672 5.596 5.746 0.246 14 0 "[ . 1 . 2]" 1
518 1 50 TYR HA 1 50 TYR QE 3.330 . 4.860 4.621 4.318 4.810 . 0 0 "[ . 1 . 2]" 1
519 1 18 CYS H 1 34 LEU H 3.650 . 5.500 4.796 4.636 4.943 . 0 0 "[ . 1 . 2]" 1
520 1 17 THR H 1 18 CYS H 3.650 . 5.500 4.404 4.306 4.462 . 0 0 "[ . 1 . 2]" 1
521 1 40 ASP H 1 75 LYS HA 3.645 . 5.490 4.556 4.223 4.828 . 0 0 "[ . 1 . 2]" 1
522 1 58 LEU H 1 58 LEU MD2 3.325 . 4.850 4.649 3.488 4.800 . 0 0 "[ . 1 . 2]" 1
523 1 58 LEU MD2 1 59 CYS H 3.505 . 5.210 4.405 2.223 4.646 . 0 0 "[ . 1 . 2]" 1
524 1 38 GLY H 1 76 CYS HB2 3.285 . 4.770 3.092 2.622 3.538 . 0 0 "[ . 1 . 2]" 1
525 1 46 HIS HE1 1 50 TYR QE 3.650 . 5.500 5.140 3.798 5.671 0.171 3 0 "[ . 1 . 2]" 1
526 1 27 ASN H 1 27 ASN HD21 3.485 . 5.170 3.916 3.036 4.892 . 0 0 "[ . 1 . 2]" 1
527 1 74 PHE H 1 74 PHE QE 3.650 . 5.500 4.730 4.498 5.084 . 0 0 "[ . 1 . 2]" 1
528 1 65 LEU H 1 65 LEU MD2 3.150 . 4.500 3.435 2.201 3.921 . 0 0 "[ . 1 . 2]" 1
529 1 32 ILE HA 1 33 PRO HB3 3.395 . 4.990 5.042 4.981 5.099 0.109 3 0 "[ . 1 . 2]" 1
530 1 48 VAL HB 1 49 PRO HA 3.215 . 4.630 3.988 3.543 4.430 . 0 0 "[ . 1 . 2]" 1
531 1 17 THR HA 1 33 PRO HB3 3.625 . 5.450 4.777 4.634 4.876 . 0 0 "[ . 1 . 2]" 1
532 1 32 ILE HA 1 33 PRO QG 3.320 . 4.840 3.987 3.904 4.081 . 0 0 "[ . 1 . 2]" 1
533 1 17 THR HA 1 33 PRO HB2 3.425 . 5.050 5.135 5.095 5.168 0.118 2 0 "[ . 1 . 2]" 1
534 1 9 LYS HA 1 11 VAL HB 3.650 . 5.500 5.287 5.008 5.524 0.024 5 0 "[ . 1 . 2]" 1
535 1 48 VAL HA 1 49 PRO HB3 3.180 . 4.560 4.342 3.768 4.586 0.026 11 0 "[ . 1 . 2]" 1
536 1 48 VAL HA 1 49 PRO HB2 3.180 . 4.560 4.418 4.320 4.536 . 0 0 "[ . 1 . 2]" 1
537 1 47 LYS HA 1 48 VAL HB 3.325 . 4.850 4.661 4.452 4.960 0.110 16 0 "[ . 1 . 2]" 1
538 1 47 LYS HA 1 60 PRO QG 2.850 . 3.900 3.409 1.785 4.064 0.164 6 0 "[ . 1 . 2]" 1
539 1 3 ILE HA 1 3 ILE MD 3.610 . 5.420 2.086 1.858 3.130 . 0 0 "[ . 1 . 2]" 1
540 1 28 ILE HA 1 32 ILE MG 3.595 . 5.390 5.134 4.884 5.398 0.008 20 0 "[ . 1 . 2]" 1
541 1 17 THR HB 1 31 CYS HA 3.650 . 5.500 2.899 2.566 3.391 . 0 0 "[ . 1 . 2]" 1
542 1 43 PRO HG3 1 74 PHE HB2 3.050 . 4.300 3.798 2.512 4.313 0.013 19 0 "[ . 1 . 2]" 1
543 1 40 ASP HB2 1 58 LEU MD2 3.410 . 5.020 3.355 2.450 4.429 . 0 0 "[ . 1 . 2]" 1
544 1 40 ASP HB3 1 58 LEU MD2 3.410 . 5.020 2.788 1.843 4.961 . 0 0 "[ . 1 . 2]" 1
545 1 22 SER H 1 28 ILE H 3.440 . 5.080 3.295 2.925 3.818 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU H 1 35 GLY H 3.650 . 5.500 4.558 4.533 4.582 . 0 0 "[ . 1 . 2]" 1
547 1 31 CYS H 1 32 ILE MG 3.650 . 5.500 4.322 4.229 4.405 . 0 0 "[ . 1 . 2]" 1
548 1 17 THR HB 1 31 CYS HB3 3.395 . 4.990 2.329 2.099 2.805 . 0 0 "[ . 1 . 2]" 1
549 1 17 THR HB 1 31 CYS HB2 3.395 . 4.990 3.788 3.493 4.231 . 0 0 "[ . 1 . 2]" 1
550 1 61 CYS HB3 1 62 LYS HA 3.445 . 5.090 4.988 4.914 5.080 . 0 0 "[ . 1 . 2]" 1
551 1 41 CYS HA 1 58 LEU HG 3.360 . 4.920 3.416 2.817 4.902 . 0 0 "[ . 1 . 2]" 1
552 1 17 THR MG 1 32 ILE HA 3.570 . 5.340 3.345 3.091 3.653 . 0 0 "[ . 1 . 2]" 1
553 1 43 PRO QD 1 74 PHE QE 3.650 . 5.500 4.320 3.944 4.939 . 0 0 "[ . 1 . 2]" 1
554 1 10 ASP HA 1 13 CYS H 3.605 . 5.410 3.445 3.252 3.661 . 0 0 "[ . 1 . 2]" 1
555 1 42 HIS HD2 1 58 LEU HG 3.650 . 5.500 4.818 2.858 5.508 0.008 18 0 "[ . 1 . 2]" 1
556 1 42 HIS HD2 1 58 LEU HB3 3.650 . 5.500 4.196 1.796 5.089 0.004 4 0 "[ . 1 . 2]" 1
557 1 42 HIS HD2 1 58 LEU HB2 3.650 . 5.500 5.027 3.496 5.518 0.018 19 0 "[ . 1 . 2]" 1
558 1 3 ILE MG 1 30 PHE QD 3.650 . 5.500 3.501 2.371 4.857 . 0 0 "[ . 1 . 2]" 1
559 1 20 ALA MB 1 59 CYS H 3.650 . 5.500 3.530 3.017 4.138 . 0 0 "[ . 1 . 2]" 1
560 1 58 LEU HB3 1 59 CYS H 3.650 . 5.500 4.130 3.617 4.265 . 0 0 "[ . 1 . 2]" 1
561 1 58 LEU HB2 1 59 CYS H 3.650 . 5.500 4.147 2.177 4.380 . 0 0 "[ . 1 . 2]" 1
562 1 21 ALA MB 1 26 ARG H 3.650 . 5.500 4.936 4.147 5.532 0.032 12 0 "[ . 1 . 2]" 1
563 1 66 THR MG 1 68 SER H 3.485 . 5.170 4.611 4.257 4.939 . 0 0 "[ . 1 . 2]" 1
564 1 5 GLY H 1 28 ILE MG 3.650 . 5.500 5.513 5.040 5.650 0.150 5 0 "[ . 1 . 2]" 1
565 1 40 ASP H 1 58 LEU MD2 3.330 . 4.860 4.395 4.110 4.872 0.012 18 0 "[ . 1 . 2]" 1
566 1 48 VAL H 1 49 PRO HA 3.650 . 5.500 4.833 4.333 5.049 . 0 0 "[ . 1 . 2]" 1
567 1 37 SER HA 1 76 CYS H 3.650 . 5.500 4.667 4.160 5.141 . 0 0 "[ . 1 . 2]" 1
568 1 69 LYS HA 1 74 PHE H 3.650 . 5.500 4.218 3.963 4.569 . 0 0 "[ . 1 . 2]" 1
569 1 30 PHE H 1 32 ILE MG 3.650 . 5.500 2.961 2.699 3.210 . 0 0 "[ . 1 . 2]" 1
570 1 21 ALA MB 1 28 ILE H 3.650 . 5.500 4.483 3.945 4.798 . 0 0 "[ . 1 . 2]" 1
571 1 8 ASP H 1 12 GLN HB3 3.575 . 5.350 4.758 4.431 5.103 . 0 0 "[ . 1 . 2]" 1
572 1 8 ASP H 1 12 GLN H 3.540 . 5.280 5.258 4.907 5.387 0.107 16 0 "[ . 1 . 2]" 1
573 1 7 CYS H 1 8 ASP H 3.470 . 5.140 4.327 4.068 4.443 . 0 0 "[ . 1 . 2]" 1
574 1 7 CYS H 1 31 CYS H 3.650 . 5.500 4.462 3.925 5.109 . 0 0 "[ . 1 . 2]" 1
575 1 37 SER H 1 39 GLU H 3.650 . 5.500 4.546 4.426 4.729 . 0 0 "[ . 1 . 2]" 1
576 1 7 CYS H 1 30 PHE H 3.650 . 5.500 5.314 4.924 5.565 0.065 6 0 "[ . 1 . 2]" 1
577 1 56 SER H 1 57 SER H 3.425 . 5.050 4.519 4.304 4.586 . 0 0 "[ . 1 . 2]" 1
578 1 6 ALA H 1 31 CYS H 3.650 . 5.500 4.141 3.789 4.706 . 0 0 "[ . 1 . 2]" 1
579 1 29 ARG H 1 32 ILE MG 3.650 . 5.500 4.818 4.672 5.023 . 0 0 "[ . 1 . 2]" 1
580 1 9 LYS H 1 12 GLN HB3 3.650 . 5.500 5.075 4.800 5.507 0.007 8 0 "[ . 1 . 2]" 1
581 1 5 GLY HA2 1 28 ILE MG 3.650 . 5.500 4.548 4.100 5.512 0.012 4 0 "[ . 1 . 2]" 1
582 1 20 ALA MB 1 21 ALA MB 3.390 . 4.980 3.878 3.487 4.143 . 0 0 "[ . 1 . 2]" 1
583 1 22 SER HB3 1 24 TRP HE3 3.650 . 5.500 5.180 3.869 5.514 0.014 8 0 "[ . 1 . 2]" 1
584 1 69 LYS HA 1 73 LYS H 3.650 . 5.500 5.275 4.791 5.574 0.074 13 0 "[ . 1 . 2]" 1
585 1 10 ASP HA 1 12 GLN H 3.650 . 5.500 3.809 3.585 4.019 . 0 0 "[ . 1 . 2]" 1
586 1 52 GLY H 1 53 LYS QB 3.650 . 5.500 5.340 4.996 5.873 0.373 2 0 "[ . 1 . 2]" 1
587 1 68 SER HA 1 69 LYS HA 3.650 . 5.500 4.289 4.271 4.328 . 0 0 "[ . 1 . 2]" 1
588 1 41 CYS H 1 74 PHE HB3 3.455 . 5.110 4.055 3.839 4.308 . 0 0 "[ . 1 . 2]" 1
589 1 74 PHE H 1 74 PHE HB3 2.880 . 3.960 3.609 3.558 3.750 . 0 0 "[ . 1 . 2]" 1
590 1 43 PRO HG2 1 74 PHE HB2 3.650 . 5.500 4.934 4.015 5.376 . 0 0 "[ . 1 . 2]" 1
591 1 69 LYS HG3 1 74 PHE HB2 3.650 . 5.500 5.374 5.035 5.586 0.086 3 0 "[ . 1 . 2]" 1
592 1 34 LEU MD2 1 62 LYS H 3.650 . 5.500 4.114 3.453 4.900 . 0 0 "[ . 1 . 2]" 1
593 1 3 ILE MG 1 5 GLY H 3.240 . 4.680 3.694 1.982 4.650 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU MD1 1 35 GLY H 3.230 . 4.660 4.165 3.832 4.499 . 0 0 "[ . 1 . 2]" 1
595 1 40 ASP HA 1 75 LYS HB3 3.650 . 5.500 3.781 2.946 4.788 . 0 0 "[ . 1 . 2]" 1
596 1 40 ASP HA 1 75 LYS HB2 3.650 . 5.500 4.511 4.194 5.182 . 0 0 "[ . 1 . 2]" 1
597 1 6 ALA MB 1 30 PHE H 3.650 . 5.500 4.824 3.969 5.312 . 0 0 "[ . 1 . 2]" 1
598 1 39 GLU H 1 75 LYS HB2 3.650 . 5.500 5.584 5.529 5.654 0.154 6 0 "[ . 1 . 2]" 1
599 1 39 GLU H 1 75 LYS HB3 3.650 . 5.500 3.943 3.795 4.235 . 0 0 "[ . 1 . 2]" 1
600 1 61 CYS HB2 1 65 LEU H 3.650 . 5.500 4.704 4.481 4.920 . 0 0 "[ . 1 . 2]" 1
601 1 68 SER H 1 76 CYS HA 3.025 . 4.250 3.447 3.283 3.576 . 0 0 "[ . 1 . 2]" 1
602 1 50 TYR QE 1 51 ASP H 3.295 . 4.790 4.148 3.696 4.637 . 0 0 "[ . 1 . 2]" 1
603 1 22 SER HB2 1 24 TRP HE3 3.650 . 5.500 4.206 3.786 5.480 . 0 0 "[ . 1 . 2]" 1
604 1 71 GLY HA2 1 73 LYS H 3.650 . 5.500 5.385 4.959 5.547 0.047 4 0 "[ . 1 . 2]" 1
605 1 25 SER H 1 26 ARG H 3.345 . 4.890 4.210 4.024 4.352 . 0 0 "[ . 1 . 2]" 1
606 1 30 PHE QD 1 31 CYS H 3.485 . 5.170 3.143 2.481 4.284 . 0 0 "[ . 1 . 2]" 1
607 1 28 ILE HA 1 30 PHE QD 3.380 . 4.960 4.019 3.679 4.271 . 0 0 "[ . 1 . 2]" 1
608 1 46 HIS HA 1 46 HIS HD2 3.540 . 5.280 3.975 2.489 4.857 . 0 0 "[ . 1 . 2]" 1
609 1 22 SER HA 1 25 SER H 3.390 . 4.980 4.618 4.397 4.826 . 0 0 "[ . 1 . 2]" 1
610 1 2 VAL H 1 3 ILE HA 3.650 . 5.500 4.947 4.544 5.216 . 0 0 "[ . 1 . 2]" 1
611 1 3 ILE HA 1 5 GLY H 3.650 . 5.500 3.656 3.394 3.960 . 0 0 "[ . 1 . 2]" 1
612 1 53 LYS H 1 53 LYS QB 2.535 . 3.270 3.129 2.770 3.308 0.038 18 0 "[ . 1 . 2]" 1
613 1 34 LEU HB3 1 35 GLY H 2.740 . 3.680 2.409 2.205 2.503 . 0 0 "[ . 1 . 2]" 1
614 1 63 SER QB 1 65 LEU H 3.575 . 5.350 4.714 4.534 4.934 . 0 0 "[ . 1 . 2]" 1
615 1 56 SER HB2 1 58 LEU H 3.650 . 5.500 3.381 2.699 4.642 . 0 0 "[ . 1 . 2]" 1
616 1 69 LYS HB3 1 74 PHE QE 3.160 . 4.520 4.435 4.240 4.577 0.057 17 0 "[ . 1 . 2]" 1
617 1 69 LYS QD 1 74 PHE QE 3.650 . 5.500 3.077 2.617 4.136 . 0 0 "[ . 1 . 2]" 1
618 1 3 ILE H 1 3 ILE QG 2.670 . 3.540 2.379 2.117 3.338 . 0 0 "[ . 1 . 2]" 1
619 1 3 ILE QG 1 4 THR H 3.570 . 5.340 4.748 4.152 4.862 . 0 0 "[ . 1 . 2]" 1
620 1 7 CYS H 1 29 ARG QB 3.570 . 5.340 4.629 3.687 5.277 . 0 0 "[ . 1 . 2]" 1
621 1 7 CYS QB 1 12 GLN QB 2.975 . 4.150 2.163 1.920 2.382 . 0 0 "[ . 1 . 2]" 1
622 1 8 ASP H 1 8 ASP QB 2.460 . 3.120 2.446 2.084 2.839 . 0 0 "[ . 1 . 2]" 1
623 1 8 ASP H 1 12 GLN QB 3.260 . 4.720 3.686 3.315 3.993 . 0 0 "[ . 1 . 2]" 1
624 1 8 ASP H 1 12 GLN QE 3.070 . 4.340 2.724 1.954 3.480 . 0 0 "[ . 1 . 2]" 1
625 1 8 ASP QB 1 9 LYS H 2.525 . 3.250 2.512 2.065 3.289 0.039 17 0 "[ . 1 . 2]" 1
626 1 8 ASP QB 1 12 GLN QE 3.490 . 5.180 2.767 1.741 4.196 0.059 5 0 "[ . 1 . 2]" 1
627 1 9 LYS H 1 12 GLN QB 3.220 . 4.640 3.646 3.231 4.076 . 0 0 "[ . 1 . 2]" 1
628 1 9 LYS H 1 12 GLN QG 3.570 . 5.340 3.396 3.036 3.709 . 0 0 "[ . 1 . 2]" 1
629 1 9 LYS H 1 12 GLN QE 3.320 . 4.840 2.945 1.908 4.467 . 0 0 "[ . 1 . 2]" 1
630 1 9 LYS QB 1 12 GLN QE 3.570 . 5.340 3.468 1.802 5.368 0.028 9 0 "[ . 1 . 2]" 1
631 1 9 LYS QG 1 11 VAL H 3.570 . 5.340 4.500 1.984 4.999 . 0 0 "[ . 1 . 2]" 1
632 1 9 LYS QD 1 11 VAL QG 3.620 . 5.440 3.235 2.548 3.771 . 0 0 "[ . 1 . 2]" 1
633 1 10 ASP HA 1 13 CYS QB 3.420 . 5.040 3.453 3.228 3.844 . 0 0 "[ . 1 . 2]" 1
634 1 10 ASP HA 1 19 CYS QB 2.890 . 3.980 3.124 2.280 4.043 0.063 18 0 "[ . 1 . 2]" 1
635 1 10 ASP QB 1 11 VAL H 2.710 . 3.620 2.803 2.535 2.992 . 0 0 "[ . 1 . 2]" 1
636 1 10 ASP QB 1 49 PRO HA 2.925 . 4.050 3.163 1.891 3.906 . 0 0 "[ . 1 . 2]" 1
637 1 11 VAL H 1 11 VAL QG 2.380 . 2.960 2.051 1.798 2.663 0.002 5 0 "[ . 1 . 2]" 1
638 1 11 VAL H 1 12 GLN QG 3.355 . 4.910 4.425 4.254 4.664 . 0 0 "[ . 1 . 2]" 1
639 1 11 VAL HA 1 11 VAL QG 2.360 . 2.920 2.131 2.003 2.216 . 0 0 "[ . 1 . 2]" 1
640 1 11 VAL QG 1 12 GLN H 2.705 . 3.610 3.206 2.108 3.428 . 0 0 "[ . 1 . 2]" 1
641 1 11 VAL QG 1 12 GLN QG 3.040 . 4.280 3.474 1.952 3.854 . 0 0 "[ . 1 . 2]" 1
642 1 12 GLN H 1 12 GLN QB 2.425 . 3.050 2.337 2.273 2.431 . 0 0 "[ . 1 . 2]" 1
643 1 12 GLN H 1 12 GLN QG 2.465 . 3.130 2.404 2.218 2.622 . 0 0 "[ . 1 . 2]" 1
644 1 12 GLN HA 1 12 GLN QG 2.530 . 3.260 2.380 2.293 2.443 . 0 0 "[ . 1 . 2]" 1
645 1 12 GLN QB 1 13 CYS H 2.955 . 4.110 2.966 2.772 3.196 . 0 0 "[ . 1 . 2]" 1
646 1 12 GLN QE 1 12 GLN QG 2.495 . 3.190 2.081 2.064 2.099 . 0 0 "[ . 1 . 2]" 1
647 1 12 GLN QG 1 13 CYS H 3.570 . 5.340 4.301 4.180 4.458 . 0 0 "[ . 1 . 2]" 1
648 1 13 CYS H 1 13 CYS QB 2.425 . 3.050 2.463 2.401 2.544 . 0 0 "[ . 1 . 2]" 1
649 1 13 CYS QB 1 14 GLY H 2.810 . 3.820 2.485 1.725 3.119 0.075 10 0 "[ . 1 . 2]" 1
650 1 13 CYS QB 1 17 THR MG 3.520 . 5.240 4.090 3.693 4.464 . 0 0 "[ . 1 . 2]" 1
651 1 14 GLY QA 1 15 SER H 2.355 . 2.910 2.197 2.084 2.277 . 0 0 "[ . 1 . 2]" 1
652 1 16 GLY H 1 34 LEU QD 2.915 . 4.030 2.404 1.824 3.156 . 0 0 "[ . 1 . 2]" 1
653 1 16 GLY QA 1 17 THR MG 3.570 . 5.340 3.431 3.290 3.612 . 0 0 "[ . 1 . 2]" 1
654 1 16 GLY QA 1 34 LEU QD 2.735 . 3.670 2.442 1.831 2.880 . 0 0 "[ . 1 . 2]" 1
655 1 17 THR H 1 34 LEU QD 3.165 . 4.530 3.006 2.442 3.473 . 0 0 "[ . 1 . 2]" 1
656 1 17 THR HB 1 31 CYS QB 3.025 . 4.250 2.307 2.086 2.760 . 0 0 "[ . 1 . 2]" 1
657 1 18 CYS H 1 34 LEU QD 3.145 . 4.490 2.759 2.419 3.590 . 0 0 "[ . 1 . 2]" 1
658 1 18 CYS HA 1 48 VAL QG 3.290 . 4.780 3.026 2.470 4.070 . 0 0 "[ . 1 . 2]" 1
659 1 18 CYS QB 1 19 CYS H 2.620 . 3.440 2.673 2.559 2.815 . 0 0 "[ . 1 . 2]" 1
660 1 18 CYS QB 1 34 LEU QD 2.690 . 3.580 1.786 1.700 2.029 0.100 3 0 "[ . 1 . 2]" 1
661 1 18 CYS QB 1 48 VAL QG 2.580 . 3.360 2.299 1.881 3.394 0.034 18 0 "[ . 1 . 2]" 1
662 1 19 CYS H 1 34 LEU QD 3.620 . 5.440 4.915 4.774 5.167 . 0 0 "[ . 1 . 2]" 1
663 1 21 ALA MB 1 57 SER QB 3.335 . 4.870 3.392 2.254 3.867 . 0 0 "[ . 1 . 2]" 1
664 1 22 SER H 1 22 SER QB 2.570 . 3.340 2.734 2.452 2.896 . 0 0 "[ . 1 . 2]" 1
665 1 22 SER QB 1 23 ALA H 2.625 . 3.450 3.006 2.787 3.232 . 0 0 "[ . 1 . 2]" 1
666 1 22 SER QB 1 24 TRP H 2.965 . 4.130 2.664 2.539 2.810 . 0 0 "[ . 1 . 2]" 1
667 1 22 SER QB 1 24 TRP HZ3 3.120 . 4.440 4.188 3.829 4.452 0.012 19 0 "[ . 1 . 2]" 1
668 1 22 SER QB 1 24 TRP HH2 2.800 . 3.800 3.735 3.483 3.824 0.024 10 0 "[ . 1 . 2]" 1
669 1 22 SER QB 1 25 SER H 2.720 . 3.640 2.731 2.432 3.277 . 0 0 "[ . 1 . 2]" 1
670 1 22 SER QB 1 28 ILE HB 3.570 . 5.340 2.366 2.091 2.960 . 0 0 "[ . 1 . 2]" 1
671 1 22 SER QB 1 28 ILE MG 3.035 . 4.270 2.811 1.888 3.904 . 0 0 "[ . 1 . 2]" 1
672 1 24 TRP HD1 1 25 SER QB 2.795 . 3.790 2.404 2.063 2.805 . 0 0 "[ . 1 . 2]" 1
673 1 24 TRP HZ2 1 28 ILE QG 3.395 . 4.990 3.561 2.849 4.452 . 0 0 "[ . 1 . 2]" 1
674 1 25 SER QB 1 26 ARG HA 3.435 . 5.070 4.528 4.406 4.819 . 0 0 "[ . 1 . 2]" 1
675 1 25 SER QB 1 27 ASN H 3.570 . 5.340 2.796 2.332 3.282 . 0 0 "[ . 1 . 2]" 1
676 1 26 ARG H 1 26 ARG QG 2.555 . 3.310 2.561 1.788 3.457 0.147 1 0 "[ . 1 . 2]" 1
677 1 26 ARG HA 1 26 ARG QG 2.710 . 3.620 2.657 2.300 3.428 . 0 0 "[ . 1 . 2]" 1
678 1 26 ARG QB 1 26 ARG QD 2.625 . 3.450 2.414 2.121 2.881 . 0 0 "[ . 1 . 2]" 1
679 1 26 ARG QB 1 27 ASN H 3.005 . 4.210 3.794 3.174 4.054 . 0 0 "[ . 1 . 2]" 1
680 1 26 ARG QG 1 27 ASN H 3.570 . 5.340 4.399 3.038 4.962 . 0 0 "[ . 1 . 2]" 1
681 1 27 ASN H 1 27 ASN QB 2.570 . 3.340 2.533 2.159 3.014 . 0 0 "[ . 1 . 2]" 1
682 1 27 ASN H 1 27 ASN QD 3.055 . 4.310 3.628 2.890 4.405 0.095 11 0 "[ . 1 . 2]" 1
683 1 27 ASN QB 1 27 ASN QD 2.465 . 3.130 2.174 2.050 2.779 . 0 0 "[ . 1 . 2]" 1
684 1 28 ILE H 1 28 ILE QG 3.075 . 4.350 3.386 2.722 3.716 . 0 0 "[ . 1 . 2]" 1
685 1 28 ILE HA 1 28 ILE QG 2.695 . 3.590 2.312 2.215 2.365 . 0 0 "[ . 1 . 2]" 1
686 1 28 ILE QG 1 28 ILE MG 2.390 . 2.980 2.072 1.987 2.301 . 0 0 "[ . 1 . 2]" 1
687 1 28 ILE QG 1 29 ARG H 3.570 . 5.340 3.896 3.712 4.046 . 0 0 "[ . 1 . 2]" 1
688 1 28 ILE QG 1 30 PHE H 3.570 . 5.340 4.809 4.442 5.272 . 0 0 "[ . 1 . 2]" 1
689 1 28 ILE QG 1 30 PHE QD 3.570 . 5.340 4.006 3.441 4.416 . 0 0 "[ . 1 . 2]" 1
690 1 28 ILE QG 1 30 PHE QE 2.925 . 4.050 2.571 1.813 3.140 . 0 0 "[ . 1 . 2]" 1
691 1 28 ILE QG 1 32 ILE MG 2.840 . 3.880 4.039 3.933 4.126 0.246 5 0 "[ . 1 . 2]" 1
692 1 29 ARG H 1 29 ARG QB 2.710 . 3.620 2.725 2.603 2.832 . 0 0 "[ . 1 . 2]" 1
693 1 29 ARG QB 1 30 PHE H 2.855 . 3.910 3.894 3.816 3.982 0.072 17 0 "[ . 1 . 2]" 1
694 1 29 ARG QB 1 30 PHE HA 3.435 . 5.070 4.286 4.164 4.552 . 0 0 "[ . 1 . 2]" 1
695 1 30 PHE H 1 30 PHE QB 2.710 . 3.620 3.108 2.758 3.283 . 0 0 "[ . 1 . 2]" 1
696 1 30 PHE QB 1 31 CYS H 2.400 . 3.000 1.852 1.737 2.239 0.063 16 0 "[ . 1 . 2]" 1
697 1 30 PHE QB 1 32 ILE MG 2.910 . 4.020 3.911 2.949 4.205 0.185 16 0 "[ . 1 . 2]" 1
698 1 31 CYS H 1 31 CYS QB 2.435 . 3.070 2.472 2.362 2.612 . 0 0 "[ . 1 . 2]" 1
699 1 31 CYS QB 1 32 ILE H 3.065 . 4.330 3.782 3.569 3.857 . 0 0 "[ . 1 . 2]" 1
700 1 32 ILE H 1 33 PRO QD 3.575 . 5.350 4.386 4.361 4.410 . 0 0 "[ . 1 . 2]" 1
701 1 32 ILE HA 1 33 PRO QD 2.205 . 2.610 2.098 2.013 2.195 . 0 0 "[ . 1 . 2]" 1
702 1 32 ILE MG 1 33 PRO QD 2.600 . 3.400 2.916 2.796 3.030 . 0 0 "[ . 1 . 2]" 1
703 1 33 PRO QD 1 34 LEU H 3.380 . 4.960 4.933 4.902 4.961 0.001 7 0 "[ . 1 . 2]" 1
704 1 34 LEU H 1 34 LEU QD 2.865 . 3.930 2.898 2.283 3.402 . 0 0 "[ . 1 . 2]" 1
705 1 34 LEU HA 1 34 LEU QD 2.435 . 3.070 2.212 2.045 2.444 . 0 0 "[ . 1 . 2]" 1
706 1 34 LEU HA 1 59 CYS QB 2.515 . 3.230 1.885 1.764 2.114 0.036 16 0 "[ . 1 . 2]" 1
707 1 34 LEU HA 1 60 PRO QD 3.570 . 5.340 4.029 3.583 4.250 . 0 0 "[ . 1 . 2]" 1
708 1 34 LEU HB2 1 34 LEU QD 2.440 . 3.080 2.152 2.033 2.355 . 0 0 "[ . 1 . 2]" 1
709 1 34 LEU QD 1 35 GLY H 2.825 . 3.850 3.293 2.736 3.711 . 0 0 "[ . 1 . 2]" 1
710 1 34 LEU QD 1 48 VAL QG 2.300 . 2.800 1.838 1.760 1.970 0.040 13 0 "[ . 1 . 2]" 1
711 1 34 LEU QD 1 59 CYS QB 2.530 . 3.260 1.805 1.756 1.978 0.044 16 0 "[ . 1 . 2]" 1
712 1 34 LEU QD 1 60 PRO QD 2.910 . 4.020 2.230 1.884 2.638 . 0 0 "[ . 1 . 2]" 1
713 1 34 LEU QD 1 62 LYS H 3.125 . 4.450 3.608 3.413 3.771 . 0 0 "[ . 1 . 2]" 1
714 1 34 LEU QD 1 62 LYS HA 2.455 . 3.110 1.834 1.728 2.014 0.072 17 0 "[ . 1 . 2]" 1
715 1 34 LEU QD 1 62 LYS QB 3.540 . 5.280 2.968 2.308 3.775 . 0 0 "[ . 1 . 2]" 1
716 1 34 LEU QD 1 63 SER H 2.700 . 3.600 2.829 2.341 3.146 . 0 0 "[ . 1 . 2]" 1
717 1 35 GLY H 1 59 CYS QB 2.940 . 4.080 3.105 2.833 3.371 . 0 0 "[ . 1 . 2]" 1
718 1 35 GLY QA 1 36 ASN H 2.240 . 2.680 2.127 2.072 2.183 . 0 0 "[ . 1 . 2]" 1
719 1 35 GLY QA 1 61 CYS HA 2.715 . 3.630 3.099 2.669 3.632 0.002 12 0 "[ . 1 . 2]" 1
720 1 36 ASN H 1 36 ASN QB 2.495 . 3.190 2.544 2.269 3.152 . 0 0 "[ . 1 . 2]" 1
721 1 36 ASN H 1 36 ASN QD 3.030 . 4.260 3.028 1.938 4.461 0.201 17 0 "[ . 1 . 2]" 1
722 1 36 ASN H 1 39 GLU QB 2.615 . 3.430 2.519 1.845 3.608 0.178 10 0 "[ . 1 . 2]" 1
723 1 36 ASN H 1 39 GLU QG 3.105 . 4.410 2.694 1.785 3.846 0.015 13 0 "[ . 1 . 2]" 1
724 1 36 ASN H 1 65 LEU QD 3.620 . 5.440 4.530 4.281 5.286 . 0 0 "[ . 1 . 2]" 1
725 1 36 ASN QB 1 37 SER H 2.300 . 2.800 2.125 1.783 2.511 0.017 19 0 "[ . 1 . 2]" 1
726 1 36 ASN QD 1 37 SER H 3.570 . 5.340 4.400 3.236 5.136 . 0 0 "[ . 1 . 2]" 1
727 1 37 SER H 1 37 SER QB 2.425 . 3.050 2.553 2.264 2.653 . 0 0 "[ . 1 . 2]" 1
728 1 37 SER H 1 65 LEU QD 2.435 . 3.070 2.437 1.889 3.051 . 0 0 "[ . 1 . 2]" 1
729 1 37 SER HA 1 65 LEU QD 2.785 . 3.770 2.435 1.836 3.173 . 0 0 "[ . 1 . 2]" 1
730 1 37 SER HA 1 76 CYS QB 3.075 . 4.350 2.681 2.198 3.159 . 0 0 "[ . 1 . 2]" 1
731 1 37 SER QB 1 38 GLY H 2.755 . 3.710 3.240 3.131 3.700 . 0 0 "[ . 1 . 2]" 1
732 1 37 SER QB 1 65 LEU QD 3.035 . 4.270 2.890 1.971 3.142 . 0 0 "[ . 1 . 2]" 1
733 1 38 GLY H 1 65 LEU QD 3.465 . 5.130 4.001 3.365 4.777 . 0 0 "[ . 1 . 2]" 1
734 1 38 GLY H 1 76 CYS QB 2.880 . 3.960 3.005 2.569 3.435 . 0 0 "[ . 1 . 2]" 1
735 1 38 GLY QA 1 75 LYS QB 3.320 . 4.840 3.075 2.488 3.561 . 0 0 "[ . 1 . 2]" 1
736 1 39 GLU H 1 39 GLU QB 2.395 . 2.990 2.336 2.146 2.692 . 0 0 "[ . 1 . 2]" 1
737 1 39 GLU H 1 39 GLU QG 2.585 . 3.370 3.000 2.307 3.745 0.375 18 0 "[ . 1 . 2]" 1
738 1 39 GLU H 1 76 CYS QB 2.715 . 3.630 2.791 2.538 3.054 . 0 0 "[ . 1 . 2]" 1
739 1 39 GLU HA 1 39 GLU QG 2.590 . 3.380 2.687 2.326 3.360 . 0 0 "[ . 1 . 2]" 1
740 1 39 GLU QB 1 40 ASP H 2.475 . 3.150 2.711 2.421 3.418 0.268 18 0 "[ . 1 . 2]" 1
741 1 39 GLU QG 1 40 ASP H 2.905 . 4.010 3.591 2.040 4.175 0.165 8 0 "[ . 1 . 2]" 1
742 1 40 ASP H 1 40 ASP QB 2.360 . 2.920 2.267 2.035 2.540 . 0 0 "[ . 1 . 2]" 1
743 1 40 ASP H 1 58 LEU QD 2.975 . 4.150 3.979 3.477 4.185 0.035 15 0 "[ . 1 . 2]" 1
744 1 40 ASP H 1 75 LYS QG 3.570 . 5.340 3.671 2.958 5.470 0.130 12 0 "[ . 1 . 2]" 1
745 1 40 ASP HA 1 75 LYS QB 3.285 . 4.770 3.581 2.892 4.417 . 0 0 "[ . 1 . 2]" 1
746 1 40 ASP HA 1 75 LYS QG 2.890 . 3.980 2.183 1.725 3.703 0.075 20 0 "[ . 1 . 2]" 1
747 1 40 ASP QB 1 41 CYS H 2.610 . 3.420 3.039 2.542 3.504 0.084 6 0 "[ . 1 . 2]" 1
748 1 40 ASP QB 1 58 LEU QD 2.540 . 3.280 2.416 1.816 2.899 . 0 0 "[ . 1 . 2]" 1
749 1 40 ASP QB 1 75 LYS HA 3.570 . 5.340 4.430 3.890 4.968 . 0 0 "[ . 1 . 2]" 1
750 1 41 CYS H 1 58 LEU QD 2.995 . 4.190 3.493 3.166 3.830 . 0 0 "[ . 1 . 2]" 1
751 1 41 CYS HA 1 58 LEU QD 2.730 . 3.660 2.242 1.907 2.690 . 0 0 "[ . 1 . 2]" 1
752 1 42 HIS H 1 42 HIS QB 2.530 . 3.260 2.369 2.310 2.502 . 0 0 "[ . 1 . 2]" 1
753 1 42 HIS H 1 58 LEU QD 3.165 . 4.530 3.047 2.220 4.068 . 0 0 "[ . 1 . 2]" 1
754 1 42 HIS QB 1 45 SER H 3.085 . 4.370 2.916 2.424 4.385 0.015 15 0 "[ . 1 . 2]" 1
755 1 42 HIS HD2 1 58 LEU QD 2.780 . 3.760 2.631 2.100 2.973 . 0 0 "[ . 1 . 2]" 1
756 1 43 PRO QB 1 74 PHE QD 3.260 . 4.720 3.193 2.882 3.888 . 0 0 "[ . 1 . 2]" 1
757 1 43 PRO QB 1 74 PHE QE 3.370 . 4.940 3.034 2.822 3.502 . 0 0 "[ . 1 . 2]" 1
758 1 45 SER QB 1 46 HIS H 3.065 . 4.330 3.248 2.597 3.818 . 0 0 "[ . 1 . 2]" 1
759 1 46 HIS H 1 46 HIS QB 2.640 . 3.480 2.586 2.428 2.987 . 0 0 "[ . 1 . 2]" 1
760 1 46 HIS QB 1 46 HIS HD2 2.600 . 3.400 2.863 2.625 3.294 . 0 0 "[ . 1 . 2]" 1
761 1 46 HIS QB 1 50 TYR QD 2.715 . 3.630 2.138 1.731 3.685 0.069 16 0 "[ . 1 . 2]" 1
762 1 46 HIS QB 1 50 TYR QE 3.570 . 5.340 2.905 2.013 4.612 . 0 0 "[ . 1 . 2]" 1
763 1 47 LYS HA 1 48 VAL QG 3.275 . 4.750 3.479 3.187 3.924 . 0 0 "[ . 1 . 2]" 1
764 1 47 LYS HA 1 60 PRO QB 3.505 . 5.210 3.136 1.853 4.256 . 0 0 "[ . 1 . 2]" 1
765 1 48 VAL H 1 48 VAL QG 2.460 . 3.120 2.400 1.936 2.921 . 0 0 "[ . 1 . 2]" 1
766 1 48 VAL HA 1 49 PRO QB 2.860 . 3.920 3.893 3.554 4.006 0.086 11 0 "[ . 1 . 2]" 1
767 1 48 VAL QG 1 49 PRO HA 2.585 . 3.370 1.909 1.749 2.752 0.051 17 0 "[ . 1 . 2]" 1
768 1 48 VAL QG 1 60 PRO QB 3.225 . 4.650 3.385 2.558 4.088 . 0 0 "[ . 1 . 2]" 1
769 1 48 VAL QG 1 60 PRO QG 2.605 . 3.410 2.352 1.898 3.023 . 0 0 "[ . 1 . 2]" 1
770 1 48 VAL QG 1 60 PRO QD 2.845 . 3.890 2.903 2.139 3.907 0.017 18 0 "[ . 1 . 2]" 1
771 1 50 TYR QD 1 52 GLY QA 3.570 . 5.340 3.282 2.275 3.938 . 0 0 "[ . 1 . 2]" 1
772 1 50 TYR QE 1 52 GLY QA 2.810 . 3.820 2.928 2.563 3.199 . 0 0 "[ . 1 . 2]" 1
773 1 51 ASP H 1 51 ASP QB 2.450 . 3.100 2.499 2.247 2.880 . 0 0 "[ . 1 . 2]" 1
774 1 52 GLY QA 1 53 LYS H 2.365 . 2.930 2.223 2.083 2.818 . 0 0 "[ . 1 . 2]" 1
775 1 52 GLY QA 1 53 LYS QB 3.255 . 4.710 4.083 3.816 4.659 . 0 0 "[ . 1 . 2]" 1
776 1 52 GLY QA 1 53 LYS QG 3.305 . 4.810 3.666 3.035 4.408 . 0 0 "[ . 1 . 2]" 1
777 1 53 LYS H 1 53 LYS QD 2.925 . 4.050 3.405 1.760 4.284 0.234 12 0 "[ . 1 . 2]" 1
778 1 53 LYS HA 1 53 LYS QD 2.915 . 4.030 3.961 3.625 4.280 0.250 9 0 "[ . 1 . 2]" 1
779 1 53 LYS QB 1 53 LYS QD 2.150 . 2.500 2.120 1.998 2.345 . 0 0 "[ . 1 . 2]" 1
780 1 55 LEU H 1 55 LEU QB 2.680 . 3.560 2.362 2.268 2.419 . 0 0 "[ . 1 . 2]" 1
781 1 55 LEU HA 1 55 LEU QD 2.380 . 2.960 1.930 1.796 2.801 0.004 8 0 "[ . 1 . 2]" 1
782 1 55 LEU QB 1 55 LEU QD 2.150 . 2.500 2.019 1.902 2.087 . 0 0 "[ . 1 . 2]" 1
783 1 56 SER QB 1 57 SER H 3.030 . 4.260 3.000 2.560 3.637 . 0 0 "[ . 1 . 2]" 1
784 1 56 SER QB 1 58 LEU H 3.275 . 4.750 2.733 2.461 3.082 . 0 0 "[ . 1 . 2]" 1
785 1 57 SER H 1 57 SER QB 2.615 . 3.430 2.522 2.357 2.830 . 0 0 "[ . 1 . 2]" 1
786 1 57 SER H 1 58 LEU QB 3.510 . 5.220 4.101 4.004 4.539 . 0 0 "[ . 1 . 2]" 1
787 1 57 SER H 1 58 LEU QD 3.620 . 5.440 5.172 3.576 5.336 . 0 0 "[ . 1 . 2]" 1
788 1 58 LEU H 1 58 LEU QB 2.530 . 3.260 2.778 2.733 3.203 . 0 0 "[ . 1 . 2]" 1
789 1 58 LEU H 1 58 LEU QD 3.020 . 4.240 4.002 3.268 4.070 . 0 0 "[ . 1 . 2]" 1
790 1 58 LEU HA 1 58 LEU QD 2.775 . 3.750 2.234 1.926 3.403 . 0 0 "[ . 1 . 2]" 1
791 1 58 LEU QB 1 58 LEU HG 2.200 . 2.600 2.377 2.336 2.512 . 0 0 "[ . 1 . 2]" 1
792 1 58 LEU QD 1 59 CYS H 2.790 . 3.780 2.477 2.218 2.726 . 0 0 "[ . 1 . 2]" 1
793 1 59 CYS H 1 59 CYS QB 2.440 . 3.080 2.213 2.167 2.369 . 0 0 "[ . 1 . 2]" 1
794 1 59 CYS HA 1 60 PRO QD 2.450 . 3.100 2.013 1.808 2.264 . 0 0 "[ . 1 . 2]" 1
795 1 59 CYS QB 1 60 PRO QD 2.560 . 3.320 2.461 1.938 2.803 . 0 0 "[ . 1 . 2]" 1
796 1 61 CYS HB3 1 76 CYS QB 2.980 . 4.160 2.862 2.577 3.235 . 0 0 "[ . 1 . 2]" 1
797 1 62 LYS H 1 62 LYS QB 2.665 . 3.530 2.544 2.392 2.668 . 0 0 "[ . 1 . 2]" 1
798 1 62 LYS H 1 62 LYS QG 2.525 . 3.250 2.091 1.822 2.285 . 0 0 "[ . 1 . 2]" 1
799 1 62 LYS H 1 65 LEU QD 2.710 . 3.620 3.182 2.669 3.680 0.060 7 0 "[ . 1 . 2]" 1
800 1 62 LYS HA 1 62 LYS QE 3.570 . 5.340 4.353 3.906 5.319 . 0 0 "[ . 1 . 2]" 1
801 1 62 LYS QB 1 62 LYS QZ 3.570 . 5.340 3.013 1.783 3.650 0.017 3 0 "[ . 1 . 2]" 1
802 1 62 LYS QB 1 63 SER H 2.510 . 3.220 2.639 1.984 2.844 . 0 0 "[ . 1 . 2]" 1
803 1 62 LYS QG 1 63 SER H 3.000 . 4.200 3.864 3.215 4.231 0.031 1 0 "[ . 1 . 2]" 1
804 1 62 LYS QD 1 65 LEU QD 3.025 . 4.250 2.434 1.795 3.117 0.005 7 0 "[ . 1 . 2]" 1
805 1 63 SER HA 1 64 GLY QA 3.140 . 4.480 3.919 3.900 3.934 . 0 0 "[ . 1 . 2]" 1
806 1 65 LEU HA 1 65 LEU QD 2.545 . 3.290 1.828 1.774 1.973 0.026 8 0 "[ . 1 . 2]" 1
807 1 65 LEU QB 1 76 CYS QB 3.265 . 4.730 2.412 1.771 2.971 0.029 7 0 "[ . 1 . 2]" 1
808 1 65 LEU QD 1 66 THR H 2.625 . 3.450 2.689 2.421 2.957 . 0 0 "[ . 1 . 2]" 1
809 1 65 LEU QD 1 66 THR HA 3.210 . 4.620 4.838 4.709 4.952 0.332 4 0 "[ . 1 . 2]" 1
810 1 65 LEU QD 1 76 CYS HA 3.225 . 4.650 4.081 3.677 4.650 . 0 0 "[ . 1 . 2]" 1
811 1 65 LEU QD 1 76 CYS QB 2.775 . 3.750 2.290 1.906 2.749 . 0 0 "[ . 1 . 2]" 1
812 1 65 LEU QD 1 77 SER H 3.540 . 5.280 3.387 2.926 3.898 . 0 0 "[ . 1 . 2]" 1
813 1 65 LEU QD 1 77 SER HA 3.290 . 4.780 3.271 2.529 4.076 . 0 0 "[ . 1 . 2]" 1
814 1 66 THR MG 1 68 SER QB 3.570 . 5.340 3.529 2.886 4.599 . 0 0 "[ . 1 . 2]" 1
815 1 67 CYS H 1 67 CYS QB 2.400 . 3.000 2.283 2.233 2.359 . 0 0 "[ . 1 . 2]" 1
816 1 67 CYS QB 1 68 SER H 3.005 . 4.210 3.783 3.428 3.893 . 0 0 "[ . 1 . 2]" 1
817 1 68 SER H 1 68 SER QB 2.520 . 3.240 2.754 2.613 3.235 . 0 0 "[ . 1 . 2]" 1
818 1 68 SER QB 1 69 LYS H 2.530 . 3.260 3.179 2.669 3.392 0.132 6 0 "[ . 1 . 2]" 1
819 1 69 LYS HA 1 69 LYS QE 3.570 . 5.340 4.463 3.967 4.989 . 0 0 "[ . 1 . 2]" 1
820 1 69 LYS HB3 1 69 LYS QE 3.070 . 4.340 3.274 2.074 4.252 . 0 0 "[ . 1 . 2]" 1
821 1 69 LYS QE 1 74 PHE QE 3.195 . 4.590 3.618 2.104 4.625 0.035 1 0 "[ . 1 . 2]" 1
822 1 70 SER H 1 70 SER QB 2.530 . 3.260 2.479 2.321 2.669 . 0 0 "[ . 1 . 2]" 1
823 1 70 SER QB 1 75 LYS H 2.975 . 4.150 3.386 2.848 3.767 . 0 0 "[ . 1 . 2]" 1
824 1 70 SER QB 1 75 LYS QB 2.915 . 4.030 2.322 1.783 3.481 0.017 1 0 "[ . 1 . 2]" 1
825 1 70 SER QB 1 75 LYS QG 3.330 . 4.860 2.775 2.045 3.553 . 0 0 "[ . 1 . 2]" 1
826 1 72 GLU H 1 72 GLU QB 2.285 . 2.770 2.479 2.167 2.934 0.164 6 0 "[ . 1 . 2]" 1
827 1 72 GLU QB 1 72 GLU QG 2.115 . 2.430 2.011 1.979 2.061 . 0 0 "[ . 1 . 2]" 1
828 1 72 GLU QB 1 73 LYS H 3.100 . 4.400 2.586 2.213 3.370 . 0 0 "[ . 1 . 2]" 1
829 1 73 LYS H 1 73 LYS QB 2.385 . 2.970 2.604 2.355 3.098 0.128 8 0 "[ . 1 . 2]" 1
830 1 73 LYS H 1 73 LYS QG 2.625 . 3.450 2.539 1.910 3.131 . 0 0 "[ . 1 . 2]" 1
831 1 73 LYS QB 1 74 PHE H 2.330 . 2.860 2.052 1.740 2.561 0.060 2 0 "[ . 1 . 2]" 1
832 1 73 LYS QD 1 74 PHE H 3.275 . 4.750 3.839 3.042 4.784 0.034 17 0 "[ . 1 . 2]" 1
833 1 75 LYS H 1 75 LYS QB 2.625 . 3.450 2.683 2.532 2.831 . 0 0 "[ . 1 . 2]" 1
834 1 75 LYS H 1 75 LYS QG 3.045 . 4.290 3.395 2.616 4.204 . 0 0 "[ . 1 . 2]" 1
835 1 75 LYS HA 1 75 LYS QG 2.740 . 3.680 2.441 2.250 2.918 . 0 0 "[ . 1 . 2]" 1
836 1 75 LYS QB 1 76 CYS H 2.445 . 3.090 2.570 2.465 2.800 . 0 0 "[ . 1 . 2]" 1
837 1 75 LYS QG 1 76 CYS H 3.135 . 4.470 3.743 3.074 4.531 0.061 12 0 "[ . 1 . 2]" 1
838 1 76 CYS H 1 76 CYS QB 2.485 . 3.170 2.388 2.246 2.469 . 0 0 "[ . 1 . 2]" 1
839 1 76 CYS QB 1 77 SER H 2.770 . 3.740 3.042 2.685 3.360 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 29
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 170.926
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0284
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.0409
_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 9 LYS 0.507 0.146 7 0 "[ . 1 . 2]"
1 10 ASP 0.349 0.054 19 0 "[ . 1 . 2]"
1 12 GLN 0.063 0.040 17 0 "[ . 1 . 2]"
1 13 CYS 0.349 0.054 19 0 "[ . 1 . 2]"
1 14 GLY 1.168 0.117 4 0 "[ . 1 . 2]"
1 17 THR 1.168 0.117 4 0 "[ . 1 . 2]"
1 18 CYS 0.580 0.112 13 0 "[ . 1 . 2]"
1 21 ALA 0.359 0.071 16 0 "[ . 1 . 2]"
1 22 SER 1.345 0.154 19 0 "[ . 1 . 2]"
1 26 ARG 0.001 0.001 13 0 "[ . 1 . 2]"
1 28 ILE 1.345 0.154 19 0 "[ . 1 . 2]"
1 32 ILE 0.580 0.112 13 0 "[ . 1 . 2]"
1 35 GLY 1.152 0.118 17 0 "[ . 1 . 2]"
1 36 ASN 1.518 0.136 6 0 "[ . 1 . 2]"
1 39 GLU 1.518 0.136 6 0 "[ . 1 . 2]"
1 41 CYS 0.267 0.045 14 0 "[ . 1 . 2]"
1 52 GLY 0.444 0.146 7 0 "[ . 1 . 2]"
1 55 LEU 0.358 0.071 16 0 "[ . 1 . 2]"
1 60 PRO 0.125 0.034 19 0 "[ . 1 . 2]"
1 62 LYS 1.131 0.118 17 0 "[ . 1 . 2]"
1 65 LEU 0.105 0.066 17 0 "[ . 1 . 2]"
1 68 SER 1.196 0.095 6 0 "[ . 1 . 2]"
1 74 PHE 0.267 0.045 14 0 "[ . 1 . 2]"
1 75 LYS 1.196 0.095 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 18 CYS H 1 32 ILE O 1.900 . 2.000 1.821 1.750 1.888 0.050 1 0 "[ . 1 . 2]" 2
2 1 18 CYS N 1 32 ILE O 2.400 . 3.000 2.733 2.692 2.840 . 0 0 "[ . 1 . 2]" 2
3 1 18 CYS O 1 32 ILE H 1.900 . 2.000 1.956 1.787 2.112 0.112 13 0 "[ . 1 . 2]" 2
4 1 18 CYS O 1 32 ILE N 2.400 . 3.000 2.872 2.754 2.996 . 0 0 "[ . 1 . 2]" 2
5 1 14 GLY O 1 17 THR H 1.900 . 2.000 2.046 2.003 2.117 0.117 4 0 "[ . 1 . 2]" 2
6 1 14 GLY O 1 17 THR N 2.400 . 3.000 3.002 2.947 3.100 0.100 19 0 "[ . 1 . 2]" 2
7 1 68 SER O 1 75 LYS H 1.900 . 2.000 1.778 1.705 1.962 0.095 6 0 "[ . 1 . 2]" 2
8 1 68 SER O 1 75 LYS N 2.400 . 3.000 2.732 2.671 2.886 . 0 0 "[ . 1 . 2]" 2
9 1 68 SER H 1 75 LYS O 1.900 . 2.000 1.976 1.818 2.055 0.055 14 0 "[ . 1 . 2]" 2
10 1 68 SER N 1 75 LYS O 2.400 . 3.000 2.949 2.795 3.040 0.040 5 0 "[ . 1 . 2]" 2
11 1 9 LYS O 1 12 GLN H 1.900 . 2.000 1.959 1.822 2.040 0.040 17 0 "[ . 1 . 2]" 2
12 1 9 LYS O 1 12 GLN N 2.400 . 3.000 2.901 2.794 2.992 . 0 0 "[ . 1 . 2]" 2
13 1 10 ASP O 1 13 CYS H 1.900 . 2.000 2.000 1.845 2.054 0.054 19 0 "[ . 1 . 2]" 2
14 1 10 ASP O 1 13 CYS N 2.400 . 3.000 2.859 2.727 2.945 . 0 0 "[ . 1 . 2]" 2
15 1 62 LYS O 1 65 LEU H 1.900 . 2.000 1.946 1.797 2.066 0.066 17 0 "[ . 1 . 2]" 2
16 1 62 LYS O 1 65 LEU N 2.400 . 3.000 2.883 2.746 2.962 . 0 0 "[ . 1 . 2]" 2
17 1 35 GLY O 1 62 LYS H 1.900 . 2.000 2.011 1.802 2.118 0.118 17 0 "[ . 1 . 2]" 2
18 1 35 GLY O 1 62 LYS N 2.400 . 3.000 2.959 2.769 3.068 0.068 6 0 "[ . 1 . 2]" 2
19 1 35 GLY H 1 60 PRO O 1.900 . 2.000 1.893 1.777 2.034 0.034 19 0 "[ . 1 . 2]" 2
20 1 35 GLY N 1 60 PRO O 2.400 . 3.000 2.816 2.696 2.951 . 0 0 "[ . 1 . 2]" 2
21 1 36 ASN O 1 39 GLU H 1.900 . 2.000 2.070 2.018 2.136 0.136 6 0 "[ . 1 . 2]" 2
22 1 36 ASN O 1 39 GLU N 2.400 . 3.000 2.988 2.939 3.024 0.024 7 0 "[ . 1 . 2]" 2
23 1 41 CYS H 1 74 PHE O 1.900 . 2.000 1.833 1.755 2.019 0.045 14 0 "[ . 1 . 2]" 2
24 1 41 CYS N 1 74 PHE O 2.400 . 3.000 2.776 2.713 2.941 . 0 0 "[ . 1 . 2]" 2
25 1 22 SER H 1 28 ILE O 1.900 . 2.000 2.062 1.926 2.154 0.154 19 0 "[ . 1 . 2]" 2
26 1 22 SER N 1 28 ILE O 2.400 . 3.000 2.916 2.806 2.977 . 0 0 "[ . 1 . 2]" 2
27 1 9 LYS QD 1 52 GLY H 3.150 . 4.500 3.938 2.233 4.646 0.146 7 0 "[ . 1 . 2]" 2
28 1 21 ALA MB 1 55 LEU HA 2.900 . 4.000 3.826 2.714 4.071 0.071 16 0 "[ . 1 . 2]" 2
29 1 21 ALA MB 1 26 ARG HA 2.900 . 4.000 2.568 1.799 3.168 0.001 13 0 "[ . 1 . 2]" 2
stop_
save_