NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591689 |
2mqj   |
25036 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqj
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 532
_Distance_constraint_stats_list.Viol_count 675
_Distance_constraint_stats_list.Viol_total 622.657
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0461
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.120 0.014 18 0 "[ . 1 . 2]"
1 3 ILE 0.958 0.077 12 0 "[ . 1 . 2]"
1 4 LYS 0.160 0.020 3 0 "[ . 1 . 2]"
1 5 ILE 0.656 0.090 6 0 "[ . 1 . 2]"
1 6 VAL 0.956 0.104 12 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.692 0.075 16 0 "[ . 1 . 2]"
1 9 VAL 1.445 0.168 11 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 1.445 0.168 11 0 "[ . 1 . 2]"
1 14 PRO 0.943 0.104 12 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.719 0.090 6 0 "[ . 1 . 2]"
1 17 LEU 0.086 0.020 3 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.015 0.009 17 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 3.730 0.213 17 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.219 0.039 14 0 "[ . 1 . 2]"
1 24 THR 7.179 0.213 17 0 "[ . 1 . 2]"
1 25 VAL 1.678 0.139 15 0 "[ . 1 . 2]"
1 26 GLY 1.104 0.086 10 0 "[ . 1 . 2]"
1 27 ALA 4.788 0.155 6 0 "[ . 1 . 2]"
1 28 VAL 4.046 0.155 6 0 "[ . 1 . 2]"
1 29 ARG 1.660 0.139 15 0 "[ . 1 . 2]"
1 30 THR 0.760 0.108 15 0 "[ . 1 . 2]"
1 31 LYS 0.907 0.076 1 0 "[ . 1 . 2]"
1 32 VAL 0.713 0.070 20 0 "[ . 1 . 2]"
1 33 CYS 0.238 0.088 20 0 "[ . 1 . 2]"
1 34 ALA 0.049 0.013 1 0 "[ . 1 . 2]"
1 35 MET 0.907 0.076 1 0 "[ . 1 . 2]"
1 36 LYS 5.912 0.254 19 0 "[ . 1 . 2]"
1 37 LYS 5.661 0.254 19 0 "[ . 1 . 2]"
1 38 LEU 0.028 0.027 2 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.039 0.027 3 0 "[ . 1 . 2]"
1 43 THR 0.487 0.057 1 0 "[ . 1 . 2]"
1 44 ARG 0.340 0.042 8 0 "[ . 1 . 2]"
1 45 LEU 1.197 0.129 1 0 "[ . 1 . 2]"
1 46 THR 0.905 0.059 19 0 "[ . 1 . 2]"
1 47 TYR 0.326 0.034 17 0 "[ . 1 . 2]"
1 48 LYS 0.005 0.005 1 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.026 0.011 12 0 "[ . 1 . 2]"
1 52 LEU 0.428 0.034 17 0 "[ . 1 . 2]"
1 53 LYS 0.248 0.055 13 0 "[ . 1 . 2]"
1 54 ASP 0.229 0.046 10 0 "[ . 1 . 2]"
1 55 THR 1.690 0.114 13 0 "[ . 1 . 2]"
1 56 GLU 0.203 0.055 13 0 "[ . 1 . 2]"
1 57 THR 0.208 0.034 20 0 "[ . 1 . 2]"
1 58 LEU 0.237 0.039 14 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 SER 0.038 0.012 20 0 "[ . 1 . 2]"
1 61 LEU 1.733 0.081 16 0 "[ . 1 . 2]"
1 62 GLY 1.547 0.081 16 0 "[ . 1 . 2]"
1 63 VAL 0.015 0.009 20 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.105 0.014 18 0 "[ . 1 . 2]"
1 66 GLY 0.034 0.010 13 0 "[ . 1 . 2]"
1 67 ASP 0.073 0.018 13 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 1.445 0.077 12 0 "[ . 1 . 2]"
1 70 VAL 0.729 0.075 16 0 "[ . 1 . 2]"
1 71 LEU 0.105 0.042 3 0 "[ . 1 . 2]"
1 72 ILE 1.638 0.129 1 0 "[ . 1 . 2]"
1 73 THR 0.241 0.040 7 0 "[ . 1 . 2]"
1 74 ARG 0.223 0.037 7 0 "[ . 1 . 2]"
1 75 THR 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 1 MET HA 1 2 LYS H 1.800 . 3.600 2.696 2.142 3.567 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 2 LYS H 1.800 . 4.100 3.555 1.940 4.041 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS H 1 2 LYS QE 1.800 . 5.700 5.272 4.334 5.686 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS H 1 2 LYS HG2 1.800 . 5.700 4.226 3.827 4.629 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS H 1 2 LYS HG3 1.800 . 5.700 3.840 3.369 4.545 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS H 1 3 ILE H 1.800 . 6.300 4.402 4.340 4.450 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS H 1 19 VAL H 1.800 . 6.300 5.739 5.144 6.211 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 66 GLY H 1.800 . 5.700 3.365 2.686 4.099 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 65 ASP HA 1.800 . 5.500 4.185 3.658 4.838 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS H 1 65 ASP QB 1.800 . 6.100 3.363 2.282 4.617 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS H 1 66 GLY HA3 1.800 . 6.400 5.143 4.539 6.229 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HA 1 3 ILE H 1.800 . 3.600 2.226 2.171 2.309 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS QB 1 3 ILE H 1.800 . 4.700 3.000 2.678 3.533 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS QE 1 3 ILE H 1.800 . 6.100 5.244 3.974 5.973 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS HG2 1 3 ILE H 1.800 . 5.400 3.617 2.666 4.100 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS HG3 1 3 ILE H 1.800 . 5.200 4.822 3.960 5.163 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE H 1 17 LEU HA 1.800 . 6.000 5.175 5.070 5.273 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE H 1 19 VAL H 1.800 . 5.000 3.983 3.721 4.176 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE H 1 18 GLU HA 1.800 . 4.000 3.608 3.457 3.818 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE H 1 16 GLU QG 1.800 . 6.100 5.068 3.576 6.131 0.031 12 0 "[ . 1 . 2]" 1
21 1 3 ILE H 1 17 LEU H 1.800 . 4.000 3.241 3.012 3.398 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE H 1 16 GLU HA 1.800 . 4.800 4.636 4.337 4.833 0.033 16 0 "[ . 1 . 2]" 1
23 1 3 ILE H 1 67 ASP H 1.800 . 6.300 6.153 5.787 6.306 0.006 16 0 "[ . 1 . 2]" 1
24 1 3 ILE HA 1 4 LYS H 1.800 . 3.600 2.245 2.227 2.307 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE HB 1 4 LYS H 1.800 . 4.700 3.393 2.641 4.032 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE MD 1 4 LYS H 1.800 . 5.400 4.084 3.037 5.058 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE QG 1 4 LYS H 1.800 . 5.400 3.817 2.000 4.582 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS H 1 4 LYS HG3 1.800 . 5.700 3.801 2.585 4.628 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS H 1 16 GLU HA 1.800 . 6.000 5.213 4.815 5.494 . 0 0 "[ . 1 . 2]" 1
30 1 4 LYS H 1 66 GLY HA2 1.800 . 6.400 4.830 4.413 5.157 . 0 0 "[ . 1 . 2]" 1
31 1 4 LYS H 1 66 GLY HA3 1.800 . 6.400 6.263 5.702 6.410 0.010 13 0 "[ . 1 . 2]" 1
32 1 4 LYS H 1 68 LYS HA 1.800 . 4.000 2.999 2.478 3.486 . 0 0 "[ . 1 . 2]" 1
33 1 4 LYS HA 1 5 ILE H 1.800 . 3.600 2.141 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
34 1 4 LYS QB 1 5 ILE H 1.800 . 4.000 3.541 3.288 3.750 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS QE 1 5 ILE H 1.800 . 5.700 5.368 4.823 5.665 . 0 0 "[ . 1 . 2]" 1
36 1 4 LYS QG 1 5 ILE H 1.800 . 5.700 3.617 2.823 4.491 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE H 1 5 ILE HG12 1.800 . 5.700 4.128 1.996 4.833 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE H 1 5 ILE MG 1.800 . 5.700 2.525 1.905 3.880 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE H 1 15 LEU H 1.800 . 4.000 3.028 2.752 3.269 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE H 1 16 GLU HA 1.800 . 4.000 4.011 3.867 4.090 0.090 6 0 "[ . 1 . 2]" 1
41 1 5 ILE H 1 17 LEU H 1.800 . 5.000 4.685 4.477 4.996 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE H 1 14 PRO HA 1.800 . 5.000 4.515 4.125 4.952 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE H 1 14 PRO HB3 1.800 . 5.700 5.425 5.137 5.716 0.016 6 0 "[ . 1 . 2]" 1
44 1 5 ILE H 1 15 LEU HA 1.800 . 6.100 5.028 4.818 5.197 . 0 0 "[ . 1 . 2]" 1
45 1 5 ILE H 1 68 LYS HA 1.800 . 6.500 5.499 5.237 6.004 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE HA 1 6 VAL H 1.800 . 3.600 2.142 2.139 2.151 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HB 1 6 VAL H 1.800 . 4.700 4.160 3.365 4.311 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE QG 1 6 VAL H 1.800 . 5.400 3.306 2.416 4.355 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE MG 1 6 VAL H 1.800 . 5.400 3.757 2.557 4.216 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL H 1 14 PRO HB2 1.800 . 6.100 5.844 5.519 6.148 0.048 17 0 "[ . 1 . 2]" 1
51 1 6 VAL H 1 14 PRO QD 1.800 . 6.400 6.443 6.409 6.504 0.104 12 0 "[ . 1 . 2]" 1
52 1 6 VAL H 1 15 LEU H 1.800 . 6.300 4.782 4.417 5.004 . 0 0 "[ . 1 . 2]" 1
53 1 6 VAL H 1 69 PHE HA 1.800 . 6.100 5.454 5.204 5.858 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL H 1 69 PHE QB 1.800 . 6.500 4.627 4.080 5.756 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL H 1 68 LYS HA 1.800 . 6.100 5.461 5.065 5.830 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL H 1 71 LEU H 1.800 . 4.500 3.845 3.659 3.994 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL H 1 70 VAL HA 1.800 . 4.000 3.257 2.891 3.454 . 0 0 "[ . 1 . 2]" 1
58 1 8 ALA H 1 8 ALA MB 1.800 . 5.300 2.336 2.187 2.951 . 0 0 "[ . 1 . 2]" 1
59 1 8 ALA H 1 70 VAL HA 1.800 . 5.500 5.533 5.517 5.575 0.075 16 0 "[ . 1 . 2]" 1
60 1 8 ALA H 1 71 LEU H 1.800 . 4.500 3.870 3.734 3.972 . 0 0 "[ . 1 . 2]" 1
61 1 8 ALA H 1 71 LEU HB3 1.800 . 6.000 3.781 3.059 5.026 . 0 0 "[ . 1 . 2]" 1
62 1 8 ALA H 1 72 ILE H 1.800 . 6.300 4.810 4.698 4.991 . 0 0 "[ . 1 . 2]" 1
63 1 8 ALA H 1 73 THR H 1.800 . 4.500 4.361 4.084 4.526 0.026 7 0 "[ . 1 . 2]" 1
64 1 8 ALA H 1 72 ILE HA 1.800 . 4.100 3.061 2.664 3.402 . 0 0 "[ . 1 . 2]" 1
65 1 8 ALA HA 1 9 VAL H 1.800 . 3.800 2.717 2.428 3.572 . 0 0 "[ . 1 . 2]" 1
66 1 8 ALA MB 1 9 VAL H 1.800 . 4.100 3.565 2.206 3.721 . 0 0 "[ . 1 . 2]" 1
67 1 8 ALA H 1 9 VAL H 1.800 . 6.300 3.441 3.177 3.746 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL H 1 13 SER H 1.800 . 5.000 5.054 4.632 5.168 0.168 11 0 "[ . 1 . 2]" 1
69 1 9 VAL HA 1 10 GLY H 1.800 . 3.600 2.444 2.144 2.695 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL HB 1 10 GLY H 1.800 . 5.400 3.427 1.933 4.554 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL QG 1 10 GLY H 1.800 . 5.400 2.807 1.876 3.696 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLY QA 1 13 SER H 1.800 . 4.400 2.258 2.121 2.464 . 0 0 "[ . 1 . 2]" 1
73 1 14 PRO HA 1 15 LEU H 1.800 . 4.600 2.184 2.156 2.245 . 0 0 "[ . 1 . 2]" 1
74 1 15 LEU H 1 16 GLU H 1.800 . 6.300 4.407 4.343 4.467 . 0 0 "[ . 1 . 2]" 1
75 1 15 LEU H 1 16 GLU HA 1.800 . 6.500 4.890 4.815 4.969 . 0 0 "[ . 1 . 2]" 1
76 1 15 LEU H 1 15 LEU QB 1.800 . 5.300 2.488 2.328 2.682 . 0 0 "[ . 1 . 2]" 1
77 1 4 LYS HA 1 15 LEU H 1.800 . 5.000 4.229 3.939 4.423 . 0 0 "[ . 1 . 2]" 1
78 1 4 LYS QB 1 15 LEU H 1.800 . 6.000 4.604 3.857 5.255 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU HA 1 16 GLU H 1.800 . 3.600 2.186 2.146 2.222 . 0 0 "[ . 1 . 2]" 1
80 1 15 LEU QB 1 16 GLU H 1.800 . 4.000 3.406 2.937 3.743 . 0 0 "[ . 1 . 2]" 1
81 1 15 LEU QD 1 16 GLU H 1.800 . 4.000 3.060 1.869 3.994 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE H 1 16 GLU H 1.800 . 6.300 5.313 5.191 5.392 . 0 0 "[ . 1 . 2]" 1
83 1 4 LYS HA 1 16 GLU H 1.800 . 6.100 5.001 4.620 5.236 . 0 0 "[ . 1 . 2]" 1
84 1 16 GLU HA 1 17 LEU H 1.800 . 3.600 2.155 2.151 2.166 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLU QB 1 17 LEU H 1.800 . 4.000 3.302 3.119 3.719 . 0 0 "[ . 1 . 2]" 1
86 1 16 GLU QG 1 17 LEU H 1.800 . 5.400 3.680 2.672 4.248 . 0 0 "[ . 1 . 2]" 1
87 1 17 LEU H 1 18 GLU H 1.800 . 6.300 4.405 4.343 4.420 . 0 0 "[ . 1 . 2]" 1
88 1 3 ILE HA 1 17 LEU H 1.800 . 6.000 5.172 5.034 5.270 . 0 0 "[ . 1 . 2]" 1
89 1 4 LYS QB 1 17 LEU H 1.800 . 5.400 5.349 5.119 5.420 0.020 3 0 "[ . 1 . 2]" 1
90 1 4 LYS HA 1 17 LEU H 1.800 . 4.000 3.695 3.522 3.888 . 0 0 "[ . 1 . 2]" 1
91 1 4 LYS HG2 1 17 LEU H 1.800 . 5.700 5.057 3.975 5.703 0.003 13 0 "[ . 1 . 2]" 1
92 1 17 LEU HA 1 18 GLU H 1.800 . 3.600 2.343 2.218 2.371 . 0 0 "[ . 1 . 2]" 1
93 1 17 LEU HB2 1 18 GLU H 1.800 . 5.400 4.012 3.589 4.309 . 0 0 "[ . 1 . 2]" 1
94 1 17 LEU HB3 1 18 GLU H 1.800 . 5.400 2.916 2.509 3.607 . 0 0 "[ . 1 . 2]" 1
95 1 17 LEU QD 1 18 GLU H 1.800 . 5.700 2.643 1.882 3.983 . 0 0 "[ . 1 . 2]" 1
96 1 18 GLU H 1 18 GLU HG2 1.800 . 5.700 3.391 1.949 4.759 . 0 0 "[ . 1 . 2]" 1
97 1 18 GLU H 1 19 VAL H 1.800 . 6.300 4.226 4.173 4.260 . 0 0 "[ . 1 . 2]" 1
98 1 2 LYS HA 1 18 GLU H 1.800 . 6.100 5.475 5.081 5.811 . 0 0 "[ . 1 . 2]" 1
99 1 18 GLU HA 1 19 VAL H 1.800 . 3.600 2.155 2.153 2.158 . 0 0 "[ . 1 . 2]" 1
100 1 18 GLU QB 1 19 VAL H 1.800 . 4.000 3.598 3.492 3.924 . 0 0 "[ . 1 . 2]" 1
101 1 18 GLU QG 1 19 VAL H 1.800 . 5.400 4.130 3.118 4.474 . 0 0 "[ . 1 . 2]" 1
102 1 19 VAL H 1 19 VAL MG2 1.800 . 5.700 2.681 2.067 3.990 . 0 0 "[ . 1 . 2]" 1
103 1 19 VAL H 1 20 ALA H 1.800 . 6.300 4.421 4.412 4.427 . 0 0 "[ . 1 . 2]" 1
104 1 2 LYS HA 1 19 VAL H 1.800 . 4.000 3.779 3.293 4.009 0.009 17 0 "[ . 1 . 2]" 1
105 1 2 LYS HG2 1 19 VAL H 1.800 . 5.700 5.297 4.668 5.634 . 0 0 "[ . 1 . 2]" 1
106 1 19 VAL HA 1 20 ALA H 1.800 . 3.600 2.400 2.327 2.449 . 0 0 "[ . 1 . 2]" 1
107 1 19 VAL HB 1 20 ALA H 1.800 . 4.600 2.925 2.270 3.945 . 0 0 "[ . 1 . 2]" 1
108 1 19 VAL MG1 1 20 ALA H 1.800 . 5.000 3.131 1.911 3.754 . 0 0 "[ . 1 . 2]" 1
109 1 18 GLU HA 1 20 ALA H 1.800 . 6.400 6.312 6.261 6.344 . 0 0 "[ . 1 . 2]" 1
110 1 20 ALA H 1 22 ASN H 1.800 . 6.100 5.150 5.109 5.189 . 0 0 "[ . 1 . 2]" 1
111 1 20 ALA H 1 23 ALA H 1.800 . 5.900 5.143 5.036 5.296 . 0 0 "[ . 1 . 2]" 1
112 1 21 PRO HA 1 22 ASN H 1.800 . 4.700 3.419 3.413 3.422 . 0 0 "[ . 1 . 2]" 1
113 1 21 PRO HB2 1 22 ASN H 1.800 . 5.700 3.718 3.710 3.732 . 0 0 "[ . 1 . 2]" 1
114 1 21 PRO HB3 1 22 ASN H 1.800 . 5.700 4.364 4.360 4.372 . 0 0 "[ . 1 . 2]" 1
115 1 22 ASN H 1 22 ASN HB2 1.800 . 4.400 3.279 2.246 3.642 . 0 0 "[ . 1 . 2]" 1
116 1 22 ASN H 1 22 ASN HB3 1.800 . 4.400 2.937 2.558 3.639 . 0 0 "[ . 1 . 2]" 1
117 1 22 ASN H 1 23 ALA H 1.800 . 3.500 2.593 2.558 2.658 . 0 0 "[ . 1 . 2]" 1
118 1 22 ASN HA 1 23 ALA H 1.800 . 4.000 3.161 3.114 3.192 . 0 0 "[ . 1 . 2]" 1
119 1 22 ASN HB2 1 23 ALA H 1.800 . 5.100 4.233 3.736 4.451 . 0 0 "[ . 1 . 2]" 1
120 1 22 ASN HB3 1 23 ALA H 1.800 . 5.100 4.382 3.728 4.542 . 0 0 "[ . 1 . 2]" 1
121 1 23 ALA H 1 23 ALA MB 1.800 . 4.700 2.246 2.210 2.326 . 0 0 "[ . 1 . 2]" 1
122 1 21 PRO HA 1 23 ALA H 1.800 . 5.400 3.390 3.347 3.407 . 0 0 "[ . 1 . 2]" 1
123 1 21 PRO HB2 1 23 ALA H 1.800 . 6.100 4.876 4.832 4.897 . 0 0 "[ . 1 . 2]" 1
124 1 23 ALA H 1 57 THR HA 1.800 . 6.400 3.683 3.553 4.237 . 0 0 "[ . 1 . 2]" 1
125 1 23 ALA H 1 57 THR HB 1.800 . 6.400 4.846 4.478 5.817 . 0 0 "[ . 1 . 2]" 1
126 1 23 ALA HA 1 24 THR H 1.800 . 3.600 3.546 3.543 3.549 . 0 0 "[ . 1 . 2]" 1
127 1 23 ALA MB 1 24 THR H 1.800 . 4.400 2.055 1.968 2.094 . 0 0 "[ . 1 . 2]" 1
128 1 24 THR H 1 24 THR MG 1.800 . 5.400 3.875 2.297 4.044 . 0 0 "[ . 1 . 2]" 1
129 1 21 PRO HB3 1 24 THR H 1.800 . 6.400 6.586 6.562 6.613 0.213 17 0 "[ . 1 . 2]" 1
130 1 24 THR H 1 25 VAL H 1.800 . 5.700 4.272 4.261 4.277 . 0 0 "[ . 1 . 2]" 1
131 1 24 THR H 1 27 ALA H 1.800 . 5.000 4.651 4.582 4.729 . 0 0 "[ . 1 . 2]" 1
132 1 24 THR H 1 28 VAL H 1.800 . 6.000 4.273 4.120 4.439 . 0 0 "[ . 1 . 2]" 1
133 1 24 THR H 1 57 THR HA 1.800 . 6.100 4.868 4.760 5.240 . 0 0 "[ . 1 . 2]" 1
134 1 24 THR H 1 58 LEU H 1.800 . 6.500 6.436 6.259 6.504 0.004 2 0 "[ . 1 . 2]" 1
135 1 24 THR HA 1 25 VAL H 1.800 . 3.800 2.224 2.217 2.228 . 0 0 "[ . 1 . 2]" 1
136 1 24 THR MG 1 25 VAL H 1.800 . 4.800 2.680 2.236 4.240 . 0 0 "[ . 1 . 2]" 1
137 1 25 VAL H 1 27 ALA H 1.800 . 4.500 3.974 3.951 4.050 . 0 0 "[ . 1 . 2]" 1
138 1 25 VAL H 1 28 VAL H 1.800 . 5.000 4.931 4.845 5.017 0.017 10 0 "[ . 1 . 2]" 1
139 1 25 VAL H 1 26 GLY H 1.800 . 3.500 2.641 2.571 2.662 . 0 0 "[ . 1 . 2]" 1
140 1 25 VAL H 1 56 GLU H 1.800 . 6.500 3.409 3.323 3.942 . 0 0 "[ . 1 . 2]" 1
141 1 25 VAL H 1 57 THR HA 1.800 . 6.100 5.438 5.337 5.506 . 0 0 "[ . 1 . 2]" 1
142 1 25 VAL H 1 54 ASP HA 1.800 . 6.400 5.304 5.155 5.828 . 0 0 "[ . 1 . 2]" 1
143 1 25 VAL HA 1 26 GLY H 1.800 . 4.000 3.555 3.533 3.560 . 0 0 "[ . 1 . 2]" 1
144 1 25 VAL HB 1 26 GLY H 1.800 . 4.400 2.498 2.444 2.682 . 0 0 "[ . 1 . 2]" 1
145 1 25 VAL MG1 1 26 GLY H 1.800 . 5.400 3.431 3.317 3.560 . 0 0 "[ . 1 . 2]" 1
146 1 25 VAL MG2 1 26 GLY H 1.800 . 5.400 3.767 3.622 3.874 . 0 0 "[ . 1 . 2]" 1
147 1 24 THR HA 1 26 GLY H 1.800 . 4.400 4.278 4.112 4.318 . 0 0 "[ . 1 . 2]" 1
148 1 24 THR MG 1 26 GLY H 1.800 . 5.400 3.117 2.040 4.349 . 0 0 "[ . 1 . 2]" 1
149 1 26 GLY H 1 28 VAL H 1.800 . 4.500 4.386 4.340 4.424 . 0 0 "[ . 1 . 2]" 1
150 1 26 GLY H 1 27 ALA H 1.800 . 3.500 2.642 2.585 2.680 . 0 0 "[ . 1 . 2]" 1
151 1 26 GLY H 1 30 THR H 1.800 . 6.000 5.919 5.888 6.012 0.012 15 0 "[ . 1 . 2]" 1
152 1 26 GLY H 1 29 ARG H 1.800 . 5.000 4.848 4.772 4.891 . 0 0 "[ . 1 . 2]" 1
153 1 26 GLY H 1 55 THR H 1.800 . 6.500 6.333 5.930 6.430 . 0 0 "[ . 1 . 2]" 1
154 1 26 GLY H 1 54 ASP HA 1.800 . 6.100 5.542 5.372 6.121 0.021 20 0 "[ . 1 . 2]" 1
155 1 26 GLY HA2 1 27 ALA H 1.800 . 4.000 3.511 3.509 3.513 . 0 0 "[ . 1 . 2]" 1
156 1 26 GLY HA3 1 27 ALA H 1.800 . 4.000 2.910 2.904 2.915 . 0 0 "[ . 1 . 2]" 1
157 1 24 THR HA 1 27 ALA H 1.800 . 4.400 4.487 4.446 4.527 0.127 15 0 "[ . 1 . 2]" 1
158 1 24 THR MG 1 27 ALA H 1.800 . 5.900 3.284 2.058 3.791 . 0 0 "[ . 1 . 2]" 1
159 1 27 ALA H 1 27 ALA MB 1.800 . 3.600 2.218 2.135 2.241 . 0 0 "[ . 1 . 2]" 1
160 1 25 VAL HA 1 27 ALA H 1.800 . 4.500 4.303 4.255 4.355 . 0 0 "[ . 1 . 2]" 1
161 1 25 VAL HB 1 27 ALA H 1.800 . 5.500 4.876 4.835 5.016 . 0 0 "[ . 1 . 2]" 1
162 1 27 ALA H 1 28 VAL H 1.800 . 3.500 2.678 2.651 2.689 . 0 0 "[ . 1 . 2]" 1
163 1 27 ALA H 1 30 THR H 1.800 . 5.000 4.684 4.659 4.802 . 0 0 "[ . 1 . 2]" 1
164 1 27 ALA HA 1 28 VAL H 1.800 . 3.400 3.552 3.549 3.555 0.155 6 0 "[ . 1 . 2]" 1
165 1 27 ALA MB 1 28 VAL H 1.800 . 3.700 2.457 2.410 2.542 . 0 0 "[ . 1 . 2]" 1
166 1 28 VAL H 1 28 VAL HB 1.800 . 4.000 2.730 2.504 3.615 . 0 0 "[ . 1 . 2]" 1
167 1 28 VAL H 1 28 VAL MG1 1.800 . 5.100 3.374 1.867 3.768 . 0 0 "[ . 1 . 2]" 1
168 1 28 VAL H 1 28 VAL MG2 1.800 . 5.100 2.322 1.878 3.765 . 0 0 "[ . 1 . 2]" 1
169 1 26 GLY HA2 1 28 VAL H 1.800 . 4.500 4.543 4.506 4.586 0.086 10 0 "[ . 1 . 2]" 1
170 1 25 VAL HA 1 28 VAL H 1.800 . 4.100 3.695 3.630 3.795 . 0 0 "[ . 1 . 2]" 1
171 1 28 VAL H 1 29 ARG H 1.800 . 3.400 2.633 2.579 2.663 . 0 0 "[ . 1 . 2]" 1
172 1 28 VAL H 1 30 THR H 1.800 . 4.400 4.113 4.063 4.290 . 0 0 "[ . 1 . 2]" 1
173 1 28 VAL HA 1 29 ARG H 1.800 . 4.000 3.545 3.530 3.553 . 0 0 "[ . 1 . 2]" 1
174 1 28 VAL HB 1 29 ARG H 1.800 . 4.400 2.826 2.475 3.965 . 0 0 "[ . 1 . 2]" 1
175 1 28 VAL MG1 1 29 ARG H 1.800 . 4.200 3.379 2.029 3.953 . 0 0 "[ . 1 . 2]" 1
176 1 28 VAL MG2 1 29 ARG H 1.800 . 5.400 3.474 2.014 3.825 . 0 0 "[ . 1 . 2]" 1
177 1 29 ARG H 1 29 ARG QG 1.800 . 5.100 3.907 3.201 4.032 . 0 0 "[ . 1 . 2]" 1
178 1 25 VAL HA 1 29 ARG H 1.800 . 4.500 4.122 4.091 4.217 . 0 0 "[ . 1 . 2]" 1
179 1 29 ARG H 1 30 THR H 1.800 . 3.500 2.690 2.654 2.737 . 0 0 "[ . 1 . 2]" 1
180 1 27 ALA H 1 29 ARG H 1.800 . 4.500 4.119 4.005 4.170 . 0 0 "[ . 1 . 2]" 1
181 1 29 ARG H 1 31 LYS H 1.800 . 4.500 4.100 3.961 4.207 . 0 0 "[ . 1 . 2]" 1
182 1 25 VAL H 1 29 ARG H 1.800 . 6.000 6.083 6.011 6.139 0.139 15 0 "[ . 1 . 2]" 1
183 1 26 GLY QA 1 29 ARG H 1.800 . 4.100 3.485 3.382 3.530 . 0 0 "[ . 1 . 2]" 1
184 1 29 ARG HA 1 30 THR H 1.800 . 4.000 3.535 3.529 3.555 . 0 0 "[ . 1 . 2]" 1
185 1 29 ARG QB 1 30 THR H 1.800 . 4.000 2.572 2.387 2.690 . 0 0 "[ . 1 . 2]" 1
186 1 29 ARG QG 1 30 THR H 1.800 . 5.400 3.860 3.425 4.512 . 0 0 "[ . 1 . 2]" 1
187 1 28 VAL HA 1 30 THR H 1.800 . 4.500 4.433 4.369 4.608 0.108 15 0 "[ . 1 . 2]" 1
188 1 30 THR H 1 30 THR MG 1.800 . 5.100 3.555 2.098 3.774 . 0 0 "[ . 1 . 2]" 1
189 1 30 THR H 1 31 LYS H 1.800 . 3.500 2.574 2.537 2.642 . 0 0 "[ . 1 . 2]" 1
190 1 30 THR H 1 32 VAL H 1.800 . 4.500 4.218 4.077 4.305 . 0 0 "[ . 1 . 2]" 1
191 1 27 ALA HA 1 30 THR H 1.800 . 4.100 3.733 3.699 3.807 . 0 0 "[ . 1 . 2]" 1
192 1 30 THR HA 1 31 LYS H 1.800 . 3.600 3.526 3.512 3.542 . 0 0 "[ . 1 . 2]" 1
193 1 30 THR HB 1 31 LYS H 1.800 . 5.400 2.839 2.585 3.934 . 0 0 "[ . 1 . 2]" 1
194 1 30 THR MG 1 31 LYS H 1.800 . 5.400 3.533 2.140 4.042 . 0 0 "[ . 1 . 2]" 1
195 1 28 VAL HA 1 31 LYS H 1.800 . 4.100 3.460 3.420 3.546 . 0 0 "[ . 1 . 2]" 1
196 1 28 VAL MG1 1 31 LYS H 1.800 . 6.400 4.733 4.557 5.154 . 0 0 "[ . 1 . 2]" 1
197 1 28 VAL MG2 1 31 LYS H 1.800 . 6.400 5.086 4.680 5.245 . 0 0 "[ . 1 . 2]" 1
198 1 31 LYS H 1 31 LYS QD 1.800 . 5.100 4.257 3.439 4.642 . 0 0 "[ . 1 . 2]" 1
199 1 31 LYS H 1 31 LYS QE 1.800 . 5.400 4.312 2.949 5.217 . 0 0 "[ . 1 . 2]" 1
200 1 31 LYS H 1 31 LYS QG 1.800 . 5.400 3.764 3.013 4.048 . 0 0 "[ . 1 . 2]" 1
201 1 31 LYS H 1 32 VAL H 1.800 . 3.500 2.691 2.612 2.714 . 0 0 "[ . 1 . 2]" 1
202 1 31 LYS H 1 33 CYS H 1.800 . 4.500 4.157 4.016 4.344 . 0 0 "[ . 1 . 2]" 1
203 1 31 LYS H 1 35 MET H 1.800 . 6.000 6.045 6.007 6.076 0.076 1 0 "[ . 1 . 2]" 1
204 1 27 ALA H 1 31 LYS H 1.800 . 6.000 5.937 5.895 5.978 . 0 0 "[ . 1 . 2]" 1
205 1 31 LYS H 1 34 ALA H 1.800 . 5.000 4.771 4.663 4.817 . 0 0 "[ . 1 . 2]" 1
206 1 28 VAL H 1 31 LYS H 1.800 . 5.000 4.665 4.628 4.715 . 0 0 "[ . 1 . 2]" 1
207 1 31 LYS HA 1 32 VAL H 1.800 . 4.000 3.546 3.520 3.552 . 0 0 "[ . 1 . 2]" 1
208 1 31 LYS QB 1 32 VAL H 1.800 . 3.600 2.536 2.427 2.677 . 0 0 "[ . 1 . 2]" 1
209 1 31 LYS QD 1 32 VAL H 1.800 . 5.400 4.987 4.509 5.337 . 0 0 "[ . 1 . 2]" 1
210 1 31 LYS QE 1 32 VAL H 1.800 . 5.400 5.073 4.609 5.351 . 0 0 "[ . 1 . 2]" 1
211 1 31 LYS QG 1 32 VAL H 1.800 . 5.400 3.979 3.393 4.460 . 0 0 "[ . 1 . 2]" 1
212 1 29 ARG HA 1 32 VAL H 1.800 . 4.100 3.697 3.535 3.769 . 0 0 "[ . 1 . 2]" 1
213 1 32 VAL H 1 32 VAL MG1 1.800 . 5.100 3.368 1.896 3.770 . 0 0 "[ . 1 . 2]" 1
214 1 32 VAL H 1 32 VAL MG2 1.800 . 5.100 2.304 1.898 3.769 . 0 0 "[ . 1 . 2]" 1
215 1 30 THR HA 1 32 VAL H 1.800 . 4.500 4.500 4.323 4.554 0.054 4 0 "[ . 1 . 2]" 1
216 1 32 VAL H 1 33 CYS H 1.800 . 3.500 2.625 2.571 2.676 . 0 0 "[ . 1 . 2]" 1
217 1 32 VAL H 1 35 MET H 1.800 . 5.000 4.733 4.697 4.814 . 0 0 "[ . 1 . 2]" 1
218 1 32 VAL H 1 34 ALA H 1.800 . 4.500 4.169 3.823 4.261 . 0 0 "[ . 1 . 2]" 1
219 1 29 ARG H 1 32 VAL H 1.800 . 5.000 4.857 4.773 4.915 . 0 0 "[ . 1 . 2]" 1
220 1 32 VAL HA 1 33 CYS H 1.800 . 4.000 3.546 3.529 3.561 . 0 0 "[ . 1 . 2]" 1
221 1 32 VAL HB 1 33 CYS H 1.800 . 4.000 2.812 2.408 3.946 . 0 0 "[ . 1 . 2]" 1
222 1 32 VAL MG1 1 33 CYS H 1.800 . 4.200 3.351 2.045 3.936 . 0 0 "[ . 1 . 2]" 1
223 1 32 VAL MG2 1 33 CYS H 1.800 . 4.200 3.488 2.043 3.847 . 0 0 "[ . 1 . 2]" 1
224 1 30 THR MG 1 33 CYS H 1.800 . 5.700 4.848 4.697 5.293 . 0 0 "[ . 1 . 2]" 1
225 1 33 CYS H 1 34 ALA H 1.800 . 3.500 2.754 2.590 2.805 . 0 0 "[ . 1 . 2]" 1
226 1 30 THR HA 1 33 CYS H 1.800 . 4.100 3.551 3.455 3.650 . 0 0 "[ . 1 . 2]" 1
227 1 30 THR HB 1 33 CYS H 1.800 . 5.700 5.667 5.415 5.788 0.088 20 0 "[ . 1 . 2]" 1
228 1 33 CYS HA 1 34 ALA H 1.800 . 4.400 3.543 3.484 3.550 . 0 0 "[ . 1 . 2]" 1
229 1 33 CYS HB2 1 34 ALA H 1.800 . 5.100 3.194 2.606 4.071 . 0 0 "[ . 1 . 2]" 1
230 1 34 ALA H 1 34 ALA MB 1.800 . 5.100 2.158 2.032 2.239 . 0 0 "[ . 1 . 2]" 1
231 1 32 VAL HA 1 34 ALA H 1.800 . 4.500 4.471 4.205 4.513 0.013 1 0 "[ . 1 . 2]" 1
232 1 32 VAL MG1 1 34 ALA H 1.800 . 6.100 5.026 4.293 5.551 . 0 0 "[ . 1 . 2]" 1
233 1 32 VAL MG2 1 34 ALA H 1.800 . 6.100 5.201 4.290 5.486 . 0 0 "[ . 1 . 2]" 1
234 1 30 THR HA 1 34 ALA H 1.800 . 4.500 3.871 3.785 4.053 . 0 0 "[ . 1 . 2]" 1
235 1 31 LYS HA 1 34 ALA H 1.800 . 4.100 3.795 3.569 3.859 . 0 0 "[ . 1 . 2]" 1
236 1 31 LYS QE 1 34 ALA H 1.800 . 6.400 5.712 4.599 6.376 . 0 0 "[ . 1 . 2]" 1
237 1 34 ALA H 1 35 MET H 1.800 . 3.500 2.648 2.573 2.688 . 0 0 "[ . 1 . 2]" 1
238 1 34 ALA HA 1 35 MET H 1.800 . 3.600 3.539 3.521 3.554 . 0 0 "[ . 1 . 2]" 1
239 1 34 ALA MB 1 35 MET H 1.800 . 3.600 2.602 2.455 2.734 . 0 0 "[ . 1 . 2]" 1
240 1 35 MET H 1 35 MET HG2 1.800 . 5.100 4.079 3.189 4.636 . 0 0 "[ . 1 . 2]" 1
241 1 35 MET H 1 35 MET HG3 1.800 . 5.100 4.135 3.567 4.486 . 0 0 "[ . 1 . 2]" 1
242 1 32 VAL HA 1 35 MET H 1.800 . 4.000 3.473 3.386 3.635 . 0 0 "[ . 1 . 2]" 1
243 1 31 LYS HA 1 35 MET H 1.800 . 5.100 4.219 4.062 4.277 . 0 0 "[ . 1 . 2]" 1
244 1 33 CYS H 1 35 MET H 1.800 . 4.500 4.176 4.032 4.374 . 0 0 "[ . 1 . 2]" 1
245 1 35 MET H 1 37 LYS H 1.800 . 4.500 3.830 3.758 3.873 . 0 0 "[ . 1 . 2]" 1
246 1 35 MET HA 1 36 LYS H 1.800 . 4.400 3.481 3.478 3.487 . 0 0 "[ . 1 . 2]" 1
247 1 35 MET HB2 1 36 LYS H 1.800 . 4.000 3.487 3.123 3.985 . 0 0 "[ . 1 . 2]" 1
248 1 35 MET HB3 1 36 LYS H 1.800 . 3.800 3.147 2.888 3.478 . 0 0 "[ . 1 . 2]" 1
249 1 36 LYS H 1 37 LYS H 1.800 . 3.500 2.202 2.165 2.283 . 0 0 "[ . 1 . 2]" 1
250 1 36 LYS H 1 37 LYS HA 1.800 . 4.400 4.432 4.385 4.516 0.116 20 0 "[ . 1 . 2]" 1
251 1 35 MET H 1 36 LYS H 1.800 . 4.100 2.655 2.575 2.668 . 0 0 "[ . 1 . 2]" 1
252 1 34 ALA H 1 36 LYS H 1.800 . 4.500 4.018 3.881 4.065 . 0 0 "[ . 1 . 2]" 1
253 1 33 CYS H 1 36 LYS H 1.800 . 5.000 4.906 4.826 4.960 . 0 0 "[ . 1 . 2]" 1
254 1 32 VAL MG2 1 36 LYS H 1.800 . 6.100 5.733 4.192 6.104 0.004 20 0 "[ . 1 . 2]" 1
255 1 32 VAL HA 1 36 LYS H 1.800 . 4.500 4.475 4.296 4.570 0.070 20 0 "[ . 1 . 2]" 1
256 1 36 LYS HA 1 37 LYS H 1.800 . 4.000 3.337 3.326 3.349 . 0 0 "[ . 1 . 2]" 1
257 1 36 LYS HB2 1 37 LYS H 1.800 . 4.000 3.591 3.364 4.254 0.254 19 0 "[ . 1 . 2]" 1
258 1 36 LYS HB3 1 37 LYS H 1.800 . 4.200 4.108 3.332 4.317 0.117 1 0 "[ . 1 . 2]" 1
259 1 36 LYS QE 1 37 LYS H 1.800 . 5.400 5.112 4.406 5.471 0.071 4 0 "[ . 1 . 2]" 1
260 1 36 LYS QG 1 37 LYS H 1.800 . 4.000 4.045 2.801 4.191 0.191 8 0 "[ . 1 . 2]" 1
261 1 37 LYS H 1 37 LYS QE 1.800 . 6.100 4.273 3.135 5.788 . 0 0 "[ . 1 . 2]" 1
262 1 34 ALA H 1 37 LYS H 1.800 . 5.000 4.588 4.528 4.725 . 0 0 "[ . 1 . 2]" 1
263 1 37 LYS HA 1 38 LEU H 1.800 . 3.600 2.622 2.601 2.927 . 0 0 "[ . 1 . 2]" 1
264 1 37 LYS HB2 1 38 LEU H 1.800 . 5.400 4.503 4.083 4.645 . 0 0 "[ . 1 . 2]" 1
265 1 37 LYS HB3 1 38 LEU H 1.800 . 5.400 4.360 4.310 4.478 . 0 0 "[ . 1 . 2]" 1
266 1 37 LYS QE 1 38 LEU H 1.800 . 5.400 4.978 4.213 5.427 0.027 2 0 "[ . 1 . 2]" 1
267 1 37 LYS H 1 38 LEU H 1.800 . 4.100 2.807 2.658 2.874 . 0 0 "[ . 1 . 2]" 1
268 1 36 LYS H 1 38 LEU H 1.800 . 4.800 4.024 3.663 4.095 . 0 0 "[ . 1 . 2]" 1
269 1 34 ALA H 1 38 LEU H 1.800 . 6.100 4.877 4.722 5.343 . 0 0 "[ . 1 . 2]" 1
270 1 34 ALA HA 1 38 LEU H 1.800 . 4.800 3.565 3.360 4.186 . 0 0 "[ . 1 . 2]" 1
271 1 33 CYS HB2 1 38 LEU H 1.800 . 6.100 5.168 3.619 5.679 . 0 0 "[ . 1 . 2]" 1
272 1 33 CYS HB3 1 38 LEU H 1.800 . 6.100 4.155 3.516 5.612 . 0 0 "[ . 1 . 2]" 1
273 1 40 PRO HA 1 41 ASP H 1.800 . 3.800 3.504 3.492 3.553 . 0 0 "[ . 1 . 2]" 1
274 1 41 ASP H 1 42 THR H 1.800 . 4.400 2.600 2.330 2.730 . 0 0 "[ . 1 . 2]" 1
275 1 41 ASP H 1 43 THR HB 1.800 . 6.500 5.155 4.814 5.862 . 0 0 "[ . 1 . 2]" 1
276 1 41 ASP HA 1 42 THR H 1.800 . 3.600 3.514 3.380 3.537 . 0 0 "[ . 1 . 2]" 1
277 1 41 ASP QB 1 42 THR H 1.800 . 5.400 2.753 2.556 3.385 . 0 0 "[ . 1 . 2]" 1
278 1 42 THR H 1 42 THR MG 1.800 . 5.400 3.035 2.098 3.890 . 0 0 "[ . 1 . 2]" 1
279 1 42 THR H 1 43 THR HB 1.800 . 5.400 4.142 3.970 4.470 . 0 0 "[ . 1 . 2]" 1
280 1 42 THR H 1 74 ARG H 1.800 . 6.100 5.525 4.921 6.127 0.027 3 0 "[ . 1 . 2]" 1
281 1 42 THR HA 1 43 THR H 1.800 . 4.400 2.637 2.447 3.049 . 0 0 "[ . 1 . 2]" 1
282 1 42 THR MG 1 43 THR H 1.800 . 5.400 4.255 4.047 4.381 . 0 0 "[ . 1 . 2]" 1
283 1 43 THR H 1 43 THR MG 1.800 . 5.400 2.536 2.217 3.889 . 0 0 "[ . 1 . 2]" 1
284 1 43 THR H 1 44 ARG H 1.800 . 6.300 4.340 4.257 4.368 . 0 0 "[ . 1 . 2]" 1
285 1 41 ASP H 1 43 THR H 1.800 . 6.500 4.757 4.051 5.200 . 0 0 "[ . 1 . 2]" 1
286 1 43 THR H 1 74 ARG H 1.800 . 6.500 5.147 4.733 5.434 . 0 0 "[ . 1 . 2]" 1
287 1 43 THR H 1 73 THR HA 1.800 . 6.100 5.233 4.961 5.481 . 0 0 "[ . 1 . 2]" 1
288 1 41 ASP QB 1 43 THR H 1.800 . 6.400 4.919 4.470 5.091 . 0 0 "[ . 1 . 2]" 1
289 1 43 THR HA 1 44 ARG H 1.800 . 3.600 2.217 2.164 2.241 . 0 0 "[ . 1 . 2]" 1
290 1 43 THR HB 1 44 ARG H 1.800 . 5.400 4.112 3.940 4.193 . 0 0 "[ . 1 . 2]" 1
291 1 43 THR MG 1 44 ARG H 1.800 . 4.000 3.417 2.025 3.830 . 0 0 "[ . 1 . 2]" 1
292 1 44 ARG H 1 45 LEU H 1.800 . 6.300 4.428 4.291 4.502 . 0 0 "[ . 1 . 2]" 1
293 1 44 ARG H 1 44 ARG QD 1.800 . 5.400 4.260 2.225 5.023 . 0 0 "[ . 1 . 2]" 1
294 1 44 ARG H 1 45 LEU HB2 1.800 . 5.700 5.516 5.020 5.712 0.012 14 0 "[ . 1 . 2]" 1
295 1 44 ARG H 1 74 ARG H 1.800 . 5.500 5.326 4.635 5.513 0.013 17 0 "[ . 1 . 2]" 1
296 1 44 ARG H 1 73 THR HB 1.800 . 5.700 5.528 4.947 5.740 0.040 7 0 "[ . 1 . 2]" 1
297 1 44 ARG H 1 73 THR HA 1.800 . 4.100 3.976 3.770 4.135 0.035 5 0 "[ . 1 . 2]" 1
298 1 44 ARG H 1 72 ILE HA 1.800 . 6.000 4.863 4.609 5.064 . 0 0 "[ . 1 . 2]" 1
299 1 44 ARG H 1 72 ILE H 1.800 . 4.000 3.000 2.720 3.306 . 0 0 "[ . 1 . 2]" 1
300 1 44 ARG H 1 71 LEU HA 1.800 . 5.100 4.634 4.344 5.090 . 0 0 "[ . 1 . 2]" 1
301 1 44 ARG HA 1 45 LEU H 1.800 . 3.600 2.346 2.179 2.431 . 0 0 "[ . 1 . 2]" 1
302 1 44 ARG HB2 1 45 LEU H 1.800 . 4.000 3.912 3.455 4.042 0.042 8 0 "[ . 1 . 2]" 1
303 1 44 ARG HB3 1 45 LEU H 1.800 . 4.000 2.836 2.421 3.304 . 0 0 "[ . 1 . 2]" 1
304 1 44 ARG QD 1 45 LEU H 1.800 . 5.400 4.059 2.057 5.133 . 0 0 "[ . 1 . 2]" 1
305 1 44 ARG QG 1 45 LEU H 1.800 . 5.700 3.410 2.018 4.672 . 0 0 "[ . 1 . 2]" 1
306 1 45 LEU H 1 45 LEU MD1 1.800 . 5.700 4.333 4.214 4.433 . 0 0 "[ . 1 . 2]" 1
307 1 45 LEU H 1 53 LYS QE 1.800 . 5.900 5.533 4.458 5.910 0.010 15 0 "[ . 1 . 2]" 1
308 1 45 LEU H 1 52 LEU H 1.800 . 6.100 5.807 5.198 6.104 0.004 13 0 "[ . 1 . 2]" 1
309 1 45 LEU HA 1 71 LEU HA 1.800 . 4.000 2.911 2.714 3.097 . 0 0 "[ . 1 . 2]" 1
310 1 45 LEU HA 1 46 THR H 1.800 . 3.600 2.163 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
311 1 45 LEU QB 1 46 THR H 1.800 . 4.000 3.638 3.254 3.782 . 0 0 "[ . 1 . 2]" 1
312 1 45 LEU MD1 1 46 THR H 1.800 . 3.800 2.177 1.918 2.444 . 0 0 "[ . 1 . 2]" 1
313 1 46 THR H 1 71 LEU HA 1.800 . 4.500 3.980 3.706 4.202 . 0 0 "[ . 1 . 2]" 1
314 1 46 THR H 1 71 LEU H 1.800 . 6.100 5.290 5.226 5.337 . 0 0 "[ . 1 . 2]" 1
315 1 46 THR H 1 70 VAL H 1.800 . 4.000 3.272 3.138 3.445 . 0 0 "[ . 1 . 2]" 1
316 1 46 THR H 1 70 VAL HB 1.800 . 5.700 3.441 2.844 4.020 . 0 0 "[ . 1 . 2]" 1
317 1 46 THR H 1 69 PHE QB 1.800 . 5.500 4.185 3.477 5.070 . 0 0 "[ . 1 . 2]" 1
318 1 46 THR H 1 69 PHE HA 1.800 . 5.000 5.028 5.005 5.059 0.059 19 0 "[ . 1 . 2]" 1
319 1 46 THR HA 1 51 ALA HA 1.800 . 4.100 2.941 2.688 3.217 . 0 0 "[ . 1 . 2]" 1
320 1 46 THR H 1 51 ALA HA 1.800 . 6.400 5.677 5.352 5.781 . 0 0 "[ . 1 . 2]" 1
321 1 46 THR H 1 51 ALA MB 1.800 . 6.100 5.992 5.573 6.111 0.011 12 0 "[ . 1 . 2]" 1
322 1 46 THR H 1 52 LEU H 1.800 . 6.300 6.228 5.943 6.333 0.033 13 0 "[ . 1 . 2]" 1
323 1 46 THR HA 1 47 TYR H 1.800 . 3.600 2.181 2.141 2.273 . 0 0 "[ . 1 . 2]" 1
324 1 46 THR HB 1 47 TYR H 1.800 . 4.200 3.343 2.739 3.804 . 0 0 "[ . 1 . 2]" 1
325 1 46 THR MG 1 47 TYR H 1.800 . 5.700 3.324 2.748 4.151 . 0 0 "[ . 1 . 2]" 1
326 1 46 THR H 1 47 TYR H 1.800 . 6.300 4.344 4.206 4.450 . 0 0 "[ . 1 . 2]" 1
327 1 47 TYR H 1 48 LYS H 1.800 . 6.300 4.313 4.246 4.375 . 0 0 "[ . 1 . 2]" 1
328 1 47 TYR H 1 49 GLY H 1.800 . 6.100 4.112 3.979 4.229 . 0 0 "[ . 1 . 2]" 1
329 1 47 TYR H 1 49 GLY HA2 1.800 . 6.100 5.142 4.982 5.273 . 0 0 "[ . 1 . 2]" 1
330 1 47 TYR H 1 50 ARG H 1.800 . 4.000 3.122 2.934 3.362 . 0 0 "[ . 1 . 2]" 1
331 1 47 TYR H 1 50 ARG QG 1.800 . 6.400 5.674 4.863 6.014 . 0 0 "[ . 1 . 2]" 1
332 1 47 TYR H 1 52 LEU HA 1.800 . 6.500 6.516 6.501 6.534 0.034 17 0 "[ . 1 . 2]" 1
333 1 47 TYR H 1 52 LEU MD1 1.800 . 6.100 3.455 2.643 5.386 . 0 0 "[ . 1 . 2]" 1
334 1 47 TYR H 1 52 LEU MD2 1.800 . 6.100 5.151 2.204 5.788 . 0 0 "[ . 1 . 2]" 1
335 1 47 TYR H 1 51 ALA HA 1.800 . 4.500 3.454 3.188 3.742 . 0 0 "[ . 1 . 2]" 1
336 1 47 TYR HA 1 48 LYS H 1.800 . 4.800 2.149 2.148 2.155 . 0 0 "[ . 1 . 2]" 1
337 1 47 TYR HB2 1 48 LYS H 1.800 . 5.400 4.149 4.081 4.247 . 0 0 "[ . 1 . 2]" 1
338 1 48 LYS H 1 49 GLY H 1.800 . 5.100 2.732 2.706 2.751 . 0 0 "[ . 1 . 2]" 1
339 1 48 LYS H 1 49 GLY HA2 1.800 . 5.900 5.033 5.007 5.052 . 0 0 "[ . 1 . 2]" 1
340 1 48 LYS H 1 50 ARG H 1.800 . 6.100 4.077 4.053 4.096 . 0 0 "[ . 1 . 2]" 1
341 1 48 LYS H 1 69 PHE HA 1.800 . 5.700 4.514 3.950 5.129 . 0 0 "[ . 1 . 2]" 1
342 1 48 LYS HA 1 49 GLY H 1.800 . 4.400 2.884 2.858 2.896 . 0 0 "[ . 1 . 2]" 1
343 1 48 LYS HB2 1 49 GLY H 1.800 . 5.400 4.454 4.165 4.546 . 0 0 "[ . 1 . 2]" 1
344 1 48 LYS HB3 1 49 GLY H 1.800 . 5.400 4.166 4.124 4.387 . 0 0 "[ . 1 . 2]" 1
345 1 48 LYS QE 1 49 GLY H 1.800 . 5.400 5.034 4.463 5.376 . 0 0 "[ . 1 . 2]" 1
346 1 49 GLY H 1 50 ARG H 1.800 . 5.100 2.591 2.565 2.619 . 0 0 "[ . 1 . 2]" 1
347 1 49 GLY HA2 1 50 ARG H 1.800 . 4.000 3.165 3.130 3.220 . 0 0 "[ . 1 . 2]" 1
348 1 49 GLY HA3 1 50 ARG H 1.800 . 4.000 3.374 3.331 3.399 . 0 0 "[ . 1 . 2]" 1
349 1 50 ARG H 1 51 ALA H 1.800 . 6.100 4.476 4.437 4.502 . 0 0 "[ . 1 . 2]" 1
350 1 48 LYS HB2 1 50 ARG H 1.800 . 5.500 4.399 3.470 4.700 . 0 0 "[ . 1 . 2]" 1
351 1 48 LYS HB3 1 50 ARG H 1.800 . 5.500 3.569 3.340 4.277 . 0 0 "[ . 1 . 2]" 1
352 1 50 ARG H 1 50 ARG HD2 1.800 . 6.100 5.075 3.722 5.766 . 0 0 "[ . 1 . 2]" 1
353 1 50 ARG H 1 50 ARG HD3 1.800 . 6.100 5.097 3.495 5.928 . 0 0 "[ . 1 . 2]" 1
354 1 50 ARG H 1 50 ARG QG 1.800 . 6.400 3.964 3.281 4.271 . 0 0 "[ . 1 . 2]" 1
355 1 47 TYR HA 1 50 ARG H 1.800 . 6.000 4.326 4.250 4.411 . 0 0 "[ . 1 . 2]" 1
356 1 47 TYR HB2 1 50 ARG H 1.800 . 6.400 5.512 5.440 5.573 . 0 0 "[ . 1 . 2]" 1
357 1 47 TYR HB3 1 50 ARG H 1.800 . 6.400 4.438 4.375 4.524 . 0 0 "[ . 1 . 2]" 1
358 1 46 THR HA 1 50 ARG H 1.800 . 4.900 4.633 4.420 4.763 . 0 0 "[ . 1 . 2]" 1
359 1 46 THR HB 1 50 ARG H 1.800 . 5.400 4.251 3.518 5.079 . 0 0 "[ . 1 . 2]" 1
360 1 46 THR MG 1 50 ARG H 1.800 . 5.700 3.952 2.881 5.482 . 0 0 "[ . 1 . 2]" 1
361 1 50 ARG HA 1 51 ALA H 1.800 . 3.600 2.313 2.237 2.392 . 0 0 "[ . 1 . 2]" 1
362 1 50 ARG QB 1 51 ALA H 1.800 . 4.800 3.023 2.585 3.435 . 0 0 "[ . 1 . 2]" 1
363 1 50 ARG HD2 1 51 ALA H 1.800 . 5.400 4.142 2.161 5.175 . 0 0 "[ . 1 . 2]" 1
364 1 50 ARG HD3 1 51 ALA H 1.800 . 5.400 4.162 2.181 5.214 . 0 0 "[ . 1 . 2]" 1
365 1 51 ALA H 1 52 LEU H 1.800 . 6.100 4.406 4.355 4.566 . 0 0 "[ . 1 . 2]" 1
366 1 51 ALA H 1 51 ALA MB 1.800 . 5.700 2.252 2.182 2.387 . 0 0 "[ . 1 . 2]" 1
367 1 46 THR HA 1 51 ALA H 1.800 . 6.100 5.217 4.913 5.355 . 0 0 "[ . 1 . 2]" 1
368 1 46 THR MG 1 51 ALA H 1.800 . 5.900 4.224 3.579 5.788 . 0 0 "[ . 1 . 2]" 1
369 1 51 ALA HA 1 52 LEU H 1.800 . 3.600 2.157 2.141 2.268 . 0 0 "[ . 1 . 2]" 1
370 1 51 ALA MB 1 52 LEU H 1.800 . 3.800 3.181 2.739 3.283 . 0 0 "[ . 1 . 2]" 1
371 1 52 LEU H 1 53 LYS H 1.800 . 5.700 4.491 4.434 4.545 . 0 0 "[ . 1 . 2]" 1
372 1 52 LEU H 1 52 LEU MD2 1.800 . 5.700 4.045 2.415 4.583 . 0 0 "[ . 1 . 2]" 1
373 1 52 LEU H 1 52 LEU MD1 1.800 . 5.700 2.999 1.998 4.112 . 0 0 "[ . 1 . 2]" 1
374 1 46 THR HA 1 52 LEU H 1.800 . 4.500 3.974 3.491 4.485 . 0 0 "[ . 1 . 2]" 1
375 1 46 THR MG 1 52 LEU H 1.800 . 5.700 4.641 3.780 5.683 . 0 0 "[ . 1 . 2]" 1
376 1 45 LEU HB3 1 52 LEU H 1.800 . 6.100 5.331 4.459 6.047 . 0 0 "[ . 1 . 2]" 1
377 1 45 LEU MD1 1 52 LEU H 1.800 . 6.100 5.272 4.417 5.678 . 0 0 "[ . 1 . 2]" 1
378 1 47 TYR H 1 52 LEU H 1.800 . 5.100 4.153 3.999 4.573 . 0 0 "[ . 1 . 2]" 1
379 1 52 LEU HA 1 53 LYS H 1.800 . 3.600 2.298 2.267 2.313 . 0 0 "[ . 1 . 2]" 1
380 1 52 LEU HB3 1 53 LYS H 1.800 . 4.000 2.734 2.640 3.614 . 0 0 "[ . 1 . 2]" 1
381 1 52 LEU MD1 1 53 LYS H 1.800 . 5.000 4.743 3.364 4.965 . 0 0 "[ . 1 . 2]" 1
382 1 52 LEU MD2 1 53 LYS H 1.800 . 5.400 3.996 3.181 4.849 . 0 0 "[ . 1 . 2]" 1
383 1 53 LYS H 1 55 THR H 1.800 . 6.300 2.224 2.192 2.256 . 0 0 "[ . 1 . 2]" 1
384 1 53 LYS H 1 54 ASP H 1.800 . 5.900 2.756 2.617 2.853 . 0 0 "[ . 1 . 2]" 1
385 1 53 LYS H 1 56 GLU H 1.800 . 5.700 4.297 4.216 4.403 . 0 0 "[ . 1 . 2]" 1
386 1 53 LYS HA 1 54 ASP H 1.800 . 3.600 3.555 3.548 3.564 . 0 0 "[ . 1 . 2]" 1
387 1 53 LYS HB2 1 54 ASP H 1.800 . 5.100 2.806 2.266 3.590 . 0 0 "[ . 1 . 2]" 1
388 1 53 LYS QE 1 54 ASP H 1.800 . 5.700 4.827 4.101 5.658 . 0 0 "[ . 1 . 2]" 1
389 1 53 LYS QG 1 54 ASP H 1.800 . 5.700 2.738 1.889 4.027 . 0 0 "[ . 1 . 2]" 1
390 1 54 ASP H 1 55 THR H 1.800 . 4.100 2.534 2.529 2.540 . 0 0 "[ . 1 . 2]" 1
391 1 54 ASP H 1 56 GLU H 1.800 . 6.400 4.493 4.471 4.526 . 0 0 "[ . 1 . 2]" 1
392 1 26 GLY H 1 54 ASP H 1.800 . 6.400 6.393 6.051 6.446 0.046 10 0 "[ . 1 . 2]" 1
393 1 54 ASP HA 1 55 THR H 1.800 . 4.800 3.309 3.301 3.315 . 0 0 "[ . 1 . 2]" 1
394 1 54 ASP QB 1 55 THR H 1.800 . 5.400 3.367 3.292 3.816 . 0 0 "[ . 1 . 2]" 1
395 1 55 THR H 1 55 THR MG 1.800 . 5.700 3.439 2.264 3.746 . 0 0 "[ . 1 . 2]" 1
396 1 53 LYS HB2 1 55 THR H 1.800 . 5.500 4.622 4.362 5.133 . 0 0 "[ . 1 . 2]" 1
397 1 53 LYS QG 1 55 THR H 1.800 . 6.100 4.337 3.478 5.295 . 0 0 "[ . 1 . 2]" 1
398 1 55 THR H 1 56 GLU H 1.800 . 4.000 2.681 2.661 2.707 . 0 0 "[ . 1 . 2]" 1
399 1 53 LYS HA 1 55 THR H 1.800 . 5.400 4.013 3.962 4.040 . 0 0 "[ . 1 . 2]" 1
400 1 24 THR HA 1 55 THR H 1.800 . 6.500 6.584 6.556 6.614 0.114 13 0 "[ . 1 . 2]" 1
401 1 25 VAL HB 1 55 THR H 1.800 . 6.500 4.406 3.969 4.561 . 0 0 "[ . 1 . 2]" 1
402 1 55 THR HA 1 56 GLU H 1.800 . 4.400 3.424 3.420 3.431 . 0 0 "[ . 1 . 2]" 1
403 1 55 THR HB 1 56 GLU H 1.800 . 5.400 3.336 3.142 4.090 . 0 0 "[ . 1 . 2]" 1
404 1 55 THR MG 1 56 GLU H 1.800 . 5.400 4.218 4.035 4.369 . 0 0 "[ . 1 . 2]" 1
405 1 56 GLU H 1 57 THR H 1.800 . 5.500 4.022 3.946 4.064 . 0 0 "[ . 1 . 2]" 1
406 1 53 LYS HA 1 56 GLU H 1.800 . 5.700 4.757 4.694 4.815 . 0 0 "[ . 1 . 2]" 1
407 1 53 LYS QG 1 56 GLU H 1.800 . 6.100 5.666 5.163 6.155 0.055 13 0 "[ . 1 . 2]" 1
408 1 54 ASP HA 1 56 GLU H 1.800 . 4.500 3.317 3.286 3.342 . 0 0 "[ . 1 . 2]" 1
409 1 25 VAL MG1 1 56 GLU H 1.800 . 6.100 5.045 4.940 5.632 . 0 0 "[ . 1 . 2]" 1
410 1 25 VAL HB 1 56 GLU H 1.800 . 5.700 4.013 3.795 4.584 . 0 0 "[ . 1 . 2]" 1
411 1 24 THR HA 1 56 GLU H 1.800 . 6.400 4.132 4.059 4.382 . 0 0 "[ . 1 . 2]" 1
412 1 56 GLU HA 1 57 THR H 1.800 . 3.600 3.534 3.525 3.547 . 0 0 "[ . 1 . 2]" 1
413 1 56 GLU HB2 1 57 THR H 1.800 . 4.000 2.664 2.389 3.452 . 0 0 "[ . 1 . 2]" 1
414 1 56 GLU HB3 1 57 THR H 1.800 . 4.000 2.057 1.910 2.100 . 0 0 "[ . 1 . 2]" 1
415 1 57 THR H 1 57 THR MG 1.800 . 5.700 2.331 1.965 2.692 . 0 0 "[ . 1 . 2]" 1
416 1 57 THR H 1 60 SER H 1.800 . 5.900 5.694 5.118 5.905 0.005 3 0 "[ . 1 . 2]" 1
417 1 57 THR H 1 58 LEU H 1.800 . 5.100 4.556 4.493 4.571 . 0 0 "[ . 1 . 2]" 1
418 1 57 THR H 1 60 SER QB 1.800 . 5.400 5.065 4.728 5.409 0.009 10 0 "[ . 1 . 2]" 1
419 1 57 THR H 1 61 LEU MD1 1.800 . 6.100 5.803 5.068 6.134 0.034 20 0 "[ . 1 . 2]" 1
420 1 57 THR H 1 61 LEU MD2 1.800 . 6.100 5.895 4.046 6.113 0.013 10 0 "[ . 1 . 2]" 1
421 1 25 VAL H 1 57 THR H 1.800 . 6.500 5.673 5.567 6.066 . 0 0 "[ . 1 . 2]" 1
422 1 24 THR HA 1 57 THR H 1.800 . 5.900 4.824 4.681 5.298 . 0 0 "[ . 1 . 2]" 1
423 1 22 ASN HA 1 57 THR H 1.800 . 6.500 5.082 4.914 5.648 . 0 0 "[ . 1 . 2]" 1
424 1 57 THR HA 1 58 LEU H 1.800 . 3.800 2.347 2.277 2.390 . 0 0 "[ . 1 . 2]" 1
425 1 57 THR HB 1 58 LEU H 1.800 . 4.800 2.978 2.485 3.839 . 0 0 "[ . 1 . 2]" 1
426 1 57 THR MG 1 58 LEU H 1.800 . 5.100 3.815 3.620 3.932 . 0 0 "[ . 1 . 2]" 1
427 1 58 LEU H 1 60 SER H 1.800 . 5.400 4.004 3.305 4.875 . 0 0 "[ . 1 . 2]" 1
428 1 58 LEU H 1 61 LEU H 1.800 . 6.400 5.127 4.905 5.301 . 0 0 "[ . 1 . 2]" 1
429 1 55 THR HB 1 58 LEU H 1.800 . 6.100 5.850 5.423 6.102 0.002 12 0 "[ . 1 . 2]" 1
430 1 23 ALA H 1 58 LEU H 1.800 . 6.100 4.619 4.536 4.713 . 0 0 "[ . 1 . 2]" 1
431 1 23 ALA HA 1 58 LEU H 1.800 . 6.400 6.389 6.292 6.439 0.039 14 0 "[ . 1 . 2]" 1
432 1 59 GLU HA 1 60 SER H 1.800 . 4.000 3.503 3.473 3.546 . 0 0 "[ . 1 . 2]" 1
433 1 59 GLU QB 1 60 SER H 1.800 . 4.000 2.898 2.486 3.567 . 0 0 "[ . 1 . 2]" 1
434 1 59 GLU QG 1 60 SER H 1.800 . 5.400 3.742 1.942 4.690 . 0 0 "[ . 1 . 2]" 1
435 1 60 SER H 1 61 LEU H 1.800 . 4.100 2.592 2.508 2.619 . 0 0 "[ . 1 . 2]" 1
436 1 60 SER H 1 62 GLY H 1.800 . 5.700 3.961 3.851 4.051 . 0 0 "[ . 1 . 2]" 1
437 1 57 THR HA 1 60 SER H 1.800 . 5.700 5.340 4.881 5.712 0.012 20 0 "[ . 1 . 2]" 1
438 1 57 THR HB 1 60 SER H 1.800 . 5.700 4.200 3.062 5.428 . 0 0 "[ . 1 . 2]" 1
439 1 60 SER HA 1 61 LEU H 1.800 . 4.200 3.411 3.370 3.457 . 0 0 "[ . 1 . 2]" 1
440 1 60 SER QB 1 61 LEU H 1.800 . 5.400 3.118 2.986 3.297 . 0 0 "[ . 1 . 2]" 1
441 1 61 LEU H 1 62 GLY H 1.800 . 4.100 2.152 2.147 2.159 . 0 0 "[ . 1 . 2]" 1
442 1 61 LEU H 1 63 VAL H 1.800 . 5.400 4.116 3.193 5.077 . 0 0 "[ . 1 . 2]" 1
443 1 61 LEU H 1 61 LEU MD1 1.800 . 5.400 3.306 2.444 3.818 . 0 0 "[ . 1 . 2]" 1
444 1 61 LEU H 1 62 GLY HA3 1.800 . 4.800 4.877 4.868 4.881 0.081 16 0 "[ . 1 . 2]" 1
445 1 59 GLU HA 1 61 LEU H 1.800 . 4.700 3.713 3.540 3.949 . 0 0 "[ . 1 . 2]" 1
446 1 59 GLU HB3 1 61 LEU H 1.800 . 5.700 4.966 4.653 5.535 . 0 0 "[ . 1 . 2]" 1
447 1 61 LEU HA 1 62 GLY H 1.800 . 4.000 3.385 3.381 3.386 . 0 0 "[ . 1 . 2]" 1
448 1 61 LEU HB2 1 62 GLY H 1.800 . 5.200 3.283 3.225 3.340 . 0 0 "[ . 1 . 2]" 1
449 1 61 LEU HB3 1 62 GLY H 1.800 . 5.400 4.125 3.851 4.318 . 0 0 "[ . 1 . 2]" 1
450 1 61 LEU MD1 1 62 GLY H 1.800 . 5.700 4.621 4.157 4.968 . 0 0 "[ . 1 . 2]" 1
451 1 61 LEU MD2 1 62 GLY H 1.800 . 5.700 4.563 3.632 5.106 . 0 0 "[ . 1 . 2]" 1
452 1 62 GLY H 1 63 VAL H 1.800 . 4.100 2.534 1.888 3.218 . 0 0 "[ . 1 . 2]" 1
453 1 62 GLY HA2 1 63 VAL H 1.800 . 3.600 2.572 2.210 3.067 . 0 0 "[ . 1 . 2]" 1
454 1 62 GLY HA3 1 63 VAL H 1.800 . 3.600 3.525 3.438 3.569 . 0 0 "[ . 1 . 2]" 1
455 1 63 VAL H 1 64 ALA H 1.800 . 6.100 4.561 4.517 4.604 . 0 0 "[ . 1 . 2]" 1
456 1 63 VAL H 1 63 VAL MG2 1.800 . 5.700 3.114 1.907 3.814 . 0 0 "[ . 1 . 2]" 1
457 1 60 SER H 1 63 VAL H 1.800 . 6.500 5.147 4.506 5.953 . 0 0 "[ . 1 . 2]" 1
458 1 61 LEU HB2 1 63 VAL H 1.800 . 5.700 4.748 3.807 5.709 0.009 20 0 "[ . 1 . 2]" 1
459 1 59 GLU HA 1 63 VAL H 1.800 . 5.700 2.310 1.990 3.012 . 0 0 "[ . 1 . 2]" 1
460 1 63 VAL HA 1 64 ALA H 1.800 . 3.600 2.210 2.166 2.214 . 0 0 "[ . 1 . 2]" 1
461 1 63 VAL HB 1 64 ALA H 1.800 . 5.400 3.902 2.926 4.130 . 0 0 "[ . 1 . 2]" 1
462 1 63 VAL MG1 1 64 ALA H 1.800 . 4.300 3.278 2.099 3.818 . 0 0 "[ . 1 . 2]" 1
463 1 63 VAL MG2 1 64 ALA H 1.800 . 5.400 2.996 2.111 3.955 . 0 0 "[ . 1 . 2]" 1
464 1 64 ALA H 1 64 ALA MB 1.800 . 5.700 2.469 2.223 2.679 . 0 0 "[ . 1 . 2]" 1
465 1 64 ALA HA 1 65 ASP H 1.800 . 4.000 2.305 2.253 2.526 . 0 0 "[ . 1 . 2]" 1
466 1 64 ALA MB 1 65 ASP H 1.800 . 3.600 2.672 2.126 2.841 . 0 0 "[ . 1 . 2]" 1
467 1 65 ASP H 1 66 GLY H 1.800 . 6.100 4.578 4.487 4.638 . 0 0 "[ . 1 . 2]" 1
468 1 64 ALA H 1 65 ASP H 1.800 . 6.300 4.442 4.362 4.537 . 0 0 "[ . 1 . 2]" 1
469 1 2 LYS H 1 65 ASP H 1.800 . 6.500 6.461 5.721 6.514 0.014 18 0 "[ . 1 . 2]" 1
470 1 65 ASP HA 1 66 GLY H 1.800 . 3.600 2.210 2.146 2.262 . 0 0 "[ . 1 . 2]" 1
471 1 65 ASP QB 1 66 GLY H 1.800 . 4.000 3.079 2.762 3.627 . 0 0 "[ . 1 . 2]" 1
472 1 66 GLY H 1 67 ASP HB2 1.800 . 4.700 4.202 3.844 4.608 . 0 0 "[ . 1 . 2]" 1
473 1 66 GLY H 1 67 ASP H 1.800 . 5.400 2.259 2.034 2.604 . 0 0 "[ . 1 . 2]" 1
474 1 2 LYS HA 1 66 GLY H 1.800 . 6.300 5.356 4.956 5.829 . 0 0 "[ . 1 . 2]" 1
475 1 66 GLY HA2 1 67 ASP H 1.800 . 4.000 3.019 2.799 3.127 . 0 0 "[ . 1 . 2]" 1
476 1 66 GLY HA3 1 67 ASP H 1.800 . 4.000 3.459 3.400 3.543 . 0 0 "[ . 1 . 2]" 1
477 1 3 ILE HA 1 67 ASP H 1.800 . 4.500 3.730 3.441 3.920 . 0 0 "[ . 1 . 2]" 1
478 1 4 LYS H 1 67 ASP H 1.800 . 5.100 4.913 4.536 5.118 0.018 13 0 "[ . 1 . 2]" 1
479 1 2 LYS H 1 67 ASP H 1.800 . 6.100 5.357 4.546 5.877 . 0 0 "[ . 1 . 2]" 1
480 1 67 ASP HA 1 68 LYS H 1.800 . 3.600 2.426 2.144 2.715 . 0 0 "[ . 1 . 2]" 1
481 1 67 ASP HB2 1 68 LYS H 1.800 . 4.400 3.851 3.408 4.360 . 0 0 "[ . 1 . 2]" 1
482 1 67 ASP HB3 1 68 LYS H 1.800 . 4.400 2.561 2.016 3.388 . 0 0 "[ . 1 . 2]" 1
483 1 68 LYS H 1 69 PHE H 1.800 . 6.300 4.342 4.191 4.440 . 0 0 "[ . 1 . 2]" 1
484 1 68 LYS H 1 68 LYS HG2 1.800 . 5.900 3.700 1.985 4.972 . 0 0 "[ . 1 . 2]" 1
485 1 68 LYS H 1 68 LYS HG3 1.800 . 5.900 3.498 2.185 5.088 . 0 0 "[ . 1 . 2]" 1
486 1 4 LYS H 1 68 LYS H 1.800 . 6.300 5.184 4.734 5.591 . 0 0 "[ . 1 . 2]" 1
487 1 68 LYS HA 1 69 PHE H 1.800 . 3.600 2.157 2.155 2.161 . 0 0 "[ . 1 . 2]" 1
488 1 68 LYS QB 1 69 PHE H 1.800 . 4.200 3.273 3.124 3.736 . 0 0 "[ . 1 . 2]" 1
489 1 68 LYS HG3 1 69 PHE H 1.800 . 5.400 4.514 3.162 5.320 . 0 0 "[ . 1 . 2]" 1
490 1 47 TYR HA 1 69 PHE HA 1.800 . 4.700 3.300 2.832 3.721 . 0 0 "[ . 1 . 2]" 1
491 1 6 VAL H 1 69 PHE H 1.800 . 4.500 4.076 3.671 4.529 0.029 11 0 "[ . 1 . 2]" 1
492 1 5 ILE HB 1 69 PHE H 1.800 . 5.300 4.419 3.569 5.315 0.015 3 0 "[ . 1 . 2]" 1
493 1 5 ILE HA 1 69 PHE H 1.800 . 4.000 2.761 2.482 3.227 . 0 0 "[ . 1 . 2]" 1
494 1 4 LYS H 1 69 PHE H 1.800 . 4.500 3.987 3.723 4.156 . 0 0 "[ . 1 . 2]" 1
495 1 3 ILE HA 1 69 PHE H 1.800 . 5.700 5.740 5.715 5.777 0.077 12 0 "[ . 1 . 2]" 1
496 1 69 PHE HA 1 70 VAL H 1.800 . 3.600 2.253 2.156 2.285 . 0 0 "[ . 1 . 2]" 1
497 1 69 PHE QB 1 70 VAL H 1.800 . 4.200 2.810 2.695 3.260 . 0 0 "[ . 1 . 2]" 1
498 1 45 LEU HA 1 70 VAL H 1.800 . 5.000 4.812 4.588 5.046 0.046 14 0 "[ . 1 . 2]" 1
499 1 47 TYR HA 1 70 VAL H 1.800 . 4.400 3.790 3.615 3.881 . 0 0 "[ . 1 . 2]" 1
500 1 48 LYS H 1 70 VAL H 1.800 . 5.500 5.237 4.862 5.505 0.005 1 0 "[ . 1 . 2]" 1
501 1 70 VAL HA 1 71 LEU H 1.800 . 3.600 2.147 2.141 2.154 . 0 0 "[ . 1 . 2]" 1
502 1 70 VAL HB 1 71 LEU H 1.800 . 5.400 4.183 4.100 4.293 . 0 0 "[ . 1 . 2]" 1
503 1 70 VAL QG 1 71 LEU H 1.800 . 5.600 2.581 2.358 2.739 . 0 0 "[ . 1 . 2]" 1
504 1 71 LEU H 1 72 ILE H 1.800 . 6.300 4.436 4.362 4.467 . 0 0 "[ . 1 . 2]" 1
505 1 45 LEU HA 1 71 LEU H 1.800 . 5.900 5.270 5.065 5.469 . 0 0 "[ . 1 . 2]" 1
506 1 8 ALA HA 1 71 LEU H 1.800 . 6.400 5.802 5.641 6.004 . 0 0 "[ . 1 . 2]" 1
507 1 7 PRO HA 1 71 LEU H 1.800 . 4.000 2.974 2.686 3.242 . 0 0 "[ . 1 . 2]" 1
508 1 71 LEU HA 1 72 ILE H 1.800 . 3.600 2.158 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
509 1 71 LEU HB2 1 72 ILE H 1.800 . 4.400 4.218 3.910 4.442 0.042 3 0 "[ . 1 . 2]" 1
510 1 71 LEU HB3 1 72 ILE H 1.800 . 4.400 3.994 3.262 4.344 . 0 0 "[ . 1 . 2]" 1
511 1 71 LEU QD 1 72 ILE H 1.800 . 5.600 2.864 2.120 3.961 . 0 0 "[ . 1 . 2]" 1
512 1 45 LEU H 1 72 ILE H 1.800 . 6.100 5.086 4.838 5.298 . 0 0 "[ . 1 . 2]" 1
513 1 45 LEU HA 1 72 ILE H 1.800 . 4.100 3.719 3.541 3.942 . 0 0 "[ . 1 . 2]" 1
514 1 45 LEU HB3 1 72 ILE H 1.800 . 6.100 6.149 6.107 6.229 0.129 1 0 "[ . 1 . 2]" 1
515 1 45 LEU MD1 1 72 ILE H 1.800 . 6.100 5.038 4.262 5.700 . 0 0 "[ . 1 . 2]" 1
516 1 43 THR MG 1 72 ILE H 1.800 . 6.100 5.170 3.033 5.877 . 0 0 "[ . 1 . 2]" 1
517 1 43 THR HA 1 72 ILE H 1.800 . 4.700 4.687 4.559 4.757 0.057 1 0 "[ . 1 . 2]" 1
518 1 46 THR H 1 72 ILE H 1.800 . 5.000 4.996 4.944 5.044 0.044 14 0 "[ . 1 . 2]" 1
519 1 72 ILE HA 1 73 THR H 1.800 . 4.100 2.225 2.140 2.250 . 0 0 "[ . 1 . 2]" 1
520 1 72 ILE HG12 1 73 THR H 1.800 . 5.400 3.869 2.745 5.110 . 0 0 "[ . 1 . 2]" 1
521 1 72 ILE MG 1 73 THR H 1.800 . 4.800 3.060 1.922 4.093 . 0 0 "[ . 1 . 2]" 1
522 1 72 ILE H 1 73 THR H 1.800 . 6.300 4.459 4.246 4.528 . 0 0 "[ . 1 . 2]" 1
523 1 43 THR HA 1 73 THR H 1.800 . 6.000 5.120 4.884 5.440 . 0 0 "[ . 1 . 2]" 1
524 1 73 THR HA 1 74 ARG H 1.800 . 3.600 2.182 2.163 2.255 . 0 0 "[ . 1 . 2]" 1
525 1 73 THR HB 1 74 ARG H 1.800 . 4.500 4.001 2.828 4.186 . 0 0 "[ . 1 . 2]" 1
526 1 73 THR MG 1 74 ARG H 1.800 . 5.700 3.924 3.705 4.105 . 0 0 "[ . 1 . 2]" 1
527 1 43 THR HA 1 74 ARG H 1.800 . 4.100 3.727 3.087 4.035 . 0 0 "[ . 1 . 2]" 1
528 1 43 THR HB 1 74 ARG H 1.800 . 5.500 5.262 4.576 5.537 0.037 7 0 "[ . 1 . 2]" 1
529 1 74 ARG H 1 75 THR H 1.800 . 6.300 4.507 4.420 4.597 . 0 0 "[ . 1 . 2]" 1
530 1 74 ARG HA 1 75 THR H 1.800 . 3.600 2.226 2.165 2.312 . 0 0 "[ . 1 . 2]" 1
531 1 74 ARG QB 1 75 THR H 1.800 . 4.200 3.180 2.790 3.594 . 0 0 "[ . 1 . 2]" 1
532 1 74 ARG QG 1 75 THR H 1.800 . 5.400 3.102 2.121 4.291 . 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 30
_Distance_constraint_stats_list.Viol_count 600
_Distance_constraint_stats_list.Viol_total 394.653
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0329
_Distance_constraint_stats_list.Viol_average_violations_only 0.0329
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ILE 1.654 0.056 12 0 "[ . 1 . 2]"
1 5 ILE 2.895 0.095 6 0 "[ . 1 . 2]"
1 6 VAL 1.334 0.071 14 0 "[ . 1 . 2]"
1 15 LEU 2.895 0.095 6 0 "[ . 1 . 2]"
1 17 LEU 1.654 0.056 12 0 "[ . 1 . 2]"
1 25 VAL 1.311 0.108 18 0 "[ . 1 . 2]"
1 26 GLY 1.972 0.094 11 0 "[ . 1 . 2]"
1 27 ALA 2.337 0.101 6 0 "[ . 1 . 2]"
1 28 VAL 1.151 0.072 6 0 "[ . 1 . 2]"
1 29 ARG 2.680 0.108 18 0 "[ . 1 . 2]"
1 30 THR 3.352 0.120 20 0 "[ . 1 . 2]"
1 31 LYS 2.337 0.101 6 0 "[ . 1 . 2]"
1 32 VAL 1.151 0.072 6 0 "[ . 1 . 2]"
1 33 CYS 1.369 0.072 6 0 "[ . 1 . 2]"
1 34 ALA 1.381 0.120 20 0 "[ . 1 . 2]"
1 44 ARG 2.438 0.119 3 0 "[ . 1 . 2]"
1 46 THR 1.891 0.059 4 0 "[ . 1 . 2]"
1 70 VAL 1.891 0.059 4 0 "[ . 1 . 2]"
1 71 LEU 1.334 0.071 14 0 "[ . 1 . 2]"
1 72 ILE 2.438 0.119 3 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 25 VAL O 1 29 ARG H 2.000 . 2.000 2.053 2.014 2.108 0.108 18 0 "[ . 1 . 2]" 2
2 1 25 VAL O 1 29 ARG N 3.000 3.000 3.000 3.005 2.982 3.025 0.025 18 0 "[ . 1 . 2]" 2
3 1 26 GLY O 1 30 THR H 2.000 . 2.000 2.020 2.004 2.034 0.034 16 0 "[ . 1 . 2]" 2
4 1 26 GLY O 1 30 THR N 3.000 3.000 3.000 2.922 2.906 2.967 0.094 11 0 "[ . 1 . 2]" 2
5 1 27 ALA O 1 31 LYS H 2.000 . 2.000 2.076 2.049 2.101 0.101 6 0 "[ . 1 . 2]" 2
6 1 27 ALA O 1 31 LYS N 3.000 3.000 3.000 2.959 2.925 2.996 0.075 14 0 "[ . 1 . 2]" 2
7 1 28 VAL O 1 32 VAL H 2.000 . 2.000 2.045 2.028 2.072 0.072 6 0 "[ . 1 . 2]" 2
8 1 28 VAL O 1 32 VAL N 3.000 3.000 3.000 2.993 2.957 3.031 0.043 20 0 "[ . 1 . 2]" 2
9 1 29 ARG O 1 33 CYS H 2.000 . 2.000 2.036 2.013 2.072 0.072 6 0 "[ . 1 . 2]" 2
10 1 29 ARG O 1 33 CYS N 3.000 3.000 3.000 2.968 2.946 3.005 0.054 5 0 "[ . 1 . 2]" 2
11 1 30 THR O 1 34 ALA H 2.000 . 2.000 2.020 2.003 2.065 0.065 20 0 "[ . 1 . 2]" 2
12 1 30 THR O 1 34 ALA N 3.000 3.000 3.000 2.951 2.880 2.984 0.120 20 0 "[ . 1 . 2]" 2
13 1 3 ILE H 1 17 LEU O 2.200 2.200 2.200 2.232 2.221 2.256 0.056 12 0 "[ . 1 . 2]" 2
14 1 3 ILE N 1 17 LEU O 3.200 3.200 3.200 3.190 3.171 3.211 0.029 13 0 "[ . 1 . 2]" 2
15 1 3 ILE O 1 17 LEU H 2.200 2.200 2.200 2.217 2.199 2.255 0.055 6 0 "[ . 1 . 2]" 2
16 1 3 ILE O 1 17 LEU N 3.200 3.200 3.200 3.179 3.148 3.203 0.052 3 0 "[ . 1 . 2]" 2
17 1 5 ILE H 1 15 LEU O 2.200 2.200 2.200 2.236 2.189 2.288 0.088 8 0 "[ . 1 . 2]" 2
18 1 5 ILE N 1 15 LEU O 3.200 3.200 3.200 3.174 3.105 3.204 0.095 6 0 "[ . 1 . 2]" 2
19 1 5 ILE O 1 15 LEU H 2.200 2.200 2.200 2.221 2.178 2.280 0.080 16 0 "[ . 1 . 2]" 2
20 1 5 ILE O 1 15 LEU N 3.200 3.200 3.200 3.143 3.112 3.174 0.088 16 0 "[ . 1 . 2]" 2
21 1 46 THR H 1 70 VAL O 2.200 2.200 2.200 2.220 2.194 2.243 0.043 19 0 "[ . 1 . 2]" 2
22 1 46 THR N 1 70 VAL O 3.200 3.200 3.200 3.174 3.147 3.188 0.053 4 0 "[ . 1 . 2]" 2
23 1 46 THR O 1 70 VAL H 2.200 2.200 2.200 2.237 2.216 2.259 0.059 4 0 "[ . 1 . 2]" 2
24 1 46 THR O 1 70 VAL N 3.200 3.200 3.200 3.195 3.173 3.224 0.027 11 0 "[ . 1 . 2]" 2
25 1 44 ARG H 1 72 ILE O 2.200 2.200 2.200 2.217 2.193 2.236 0.036 7 0 "[ . 1 . 2]" 2
26 1 44 ARG N 1 72 ILE O 3.200 3.200 3.200 3.146 3.081 3.174 0.119 3 0 "[ . 1 . 2]" 2
27 1 44 ARG O 1 72 ILE H 2.200 2.200 2.200 2.211 2.160 2.236 0.040 7 0 "[ . 1 . 2]" 2
28 1 44 ARG O 1 72 ILE N 3.200 3.200 3.200 3.168 3.096 3.201 0.104 19 0 "[ . 1 . 2]" 2
29 1 6 VAL O 1 71 LEU H 2.400 2.400 2.400 2.449 2.426 2.471 0.071 14 0 "[ . 1 . 2]" 2
30 1 6 VAL O 1 71 LEU N 3.400 3.400 3.400 3.410 3.361 3.446 0.046 16 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 1:55:22 AM GMT (wattos1)