NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618988 |
5up1   |
30241 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5up1
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 416
_Distance_constraint_stats_list.Viol_count 117
_Distance_constraint_stats_list.Viol_total 182.188
_Distance_constraint_stats_list.Viol_max 0.238
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0779
_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 14 LEU 0.058 0.042 19 0 "[ . 1 . 2]"
1 15 VAL 0.058 0.042 19 0 "[ . 1 . 2]"
1 21 MET 0.588 0.170 16 0 "[ . 1 . 2]"
1 22 THR 0.050 0.050 19 0 "[ . 1 . 2]"
1 23 THR 0.090 0.090 11 0 "[ . 1 . 2]"
1 24 VAL 0.648 0.186 14 0 "[ . 1 . 2]"
1 25 LYS 0.235 0.106 14 0 "[ . 1 . 2]"
1 26 LEU 0.409 0.152 4 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.727 0.186 14 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 0.618 0.170 16 0 "[ . 1 . 2]"
1 36 PRO 0.148 0.148 20 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.078 0.078 2 0 "[ . 1 . 2]"
1 39 ALA 0.284 0.148 20 0 "[ . 1 . 2]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 2.315 0.229 8 0 "[ . 1 . 2]"
1 42 TYR 2.425 0.229 8 0 "[ . 1 . 2]"
1 43 ALA 0.459 0.221 10 0 "[ . 1 . 2]"
1 44 GLN 0.345 0.127 14 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.268 0.089 10 0 "[ . 1 . 2]"
1 47 ALA 0.701 0.238 12 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.157 0.089 10 0 "[ . 1 . 2]"
1 50 TYR 0.099 0.084 16 0 "[ . 1 . 2]"
1 51 GLN 0.340 0.238 12 0 "[ . 1 . 2]"
1 52 LEU 0.205 0.106 6 0 "[ . 1 . 2]"
1 53 THR 1.558 0.192 18 0 "[ . 1 . 2]"
1 54 VAL 0.681 0.131 11 0 "[ . 1 . 2]"
1 55 HIS 0.436 0.117 9 0 "[ . 1 . 2]"
1 56 VAL 0.348 0.117 9 0 "[ . 1 . 2]"
1 57 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 THR 0.141 0.106 14 0 "[ . 1 . 2]"
1 61 ILE 0.139 0.074 9 0 "[ . 1 . 2]"
1 62 HIS 0.597 0.121 5 0 "[ . 1 . 2]"
1 63 VAL 2.141 0.192 18 0 "[ . 1 . 2]"
1 64 LYS 0.477 0.136 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 LEU HA 1 14 LEU QD 4.000 . 5.000 2.564 2.016 3.485 . 0 0 "[ . 1 . 2]" 1
2 1 14 LEU HA 1 15 VAL H 3.000 . 3.500 2.532 2.166 3.542 0.042 19 0 "[ . 1 . 2]" 1
3 1 14 LEU HB2 1 15 VAL H 4.000 . 6.000 3.910 2.230 4.578 . 0 0 "[ . 1 . 2]" 1
4 1 14 LEU HB3 1 15 VAL H 4.000 . 6.000 3.569 1.964 4.585 . 0 0 "[ . 1 . 2]" 1
5 1 14 LEU QD 1 15 VAL H 4.000 . 5.000 3.558 2.272 4.585 . 0 0 "[ . 1 . 2]" 1
6 1 21 MET H 1 21 MET QG 4.000 . 5.000 2.706 2.050 3.518 . 0 0 "[ . 1 . 2]" 1
7 1 21 MET HA 1 22 THR H 3.000 . 3.500 2.228 2.109 2.463 . 0 0 "[ . 1 . 2]" 1
8 1 21 MET QB 1 22 THR H 4.000 . 5.000 3.054 2.463 3.700 . 0 0 "[ . 1 . 2]" 1
9 1 21 MET QB 1 33 PHE H 4.000 . 5.000 3.688 3.195 4.422 . 0 0 "[ . 1 . 2]" 1
10 1 21 MET QB 1 33 PHE QB 4.000 . 5.000 4.834 4.247 5.170 0.170 16 0 "[ . 1 . 2]" 1
11 1 22 THR H 1 22 THR HB 4.000 . 5.000 2.609 2.411 3.587 . 0 0 "[ . 1 . 2]" 1
12 1 22 THR H 1 22 THR MG 4.000 . 5.000 3.648 1.884 3.838 . 0 0 "[ . 1 . 2]" 1
13 1 22 THR H 1 33 PHE H 4.000 . 5.000 3.695 3.003 4.341 . 0 0 "[ . 1 . 2]" 1
14 1 22 THR H 1 33 PHE QB 4.000 . 5.000 3.865 3.186 4.966 . 0 0 "[ . 1 . 2]" 1
15 1 22 THR H 1 39 ALA MB 4.000 . 6.000 4.215 3.482 4.967 . 0 0 "[ . 1 . 2]" 1
16 1 22 THR HA 1 23 THR H 3.000 . 3.500 2.165 2.092 2.264 . 0 0 "[ . 1 . 2]" 1
17 1 22 THR HA 1 61 ILE MD 4.000 . 6.000 5.058 4.208 6.050 0.050 19 0 "[ . 1 . 2]" 1
18 1 22 THR HB 1 33 PHE QB 4.000 . 5.000 3.001 1.803 4.480 . 0 0 "[ . 1 . 2]" 1
19 1 22 THR HB 1 36 PRO HA 4.000 . 5.000 3.062 2.178 4.376 . 0 0 "[ . 1 . 2]" 1
20 1 22 THR HB 1 39 ALA MB 4.000 . 5.000 2.499 2.057 3.656 . 0 0 "[ . 1 . 2]" 1
21 1 22 THR MG 1 23 THR H 4.000 . 5.000 3.320 2.773 4.013 . 0 0 "[ . 1 . 2]" 1
22 1 22 THR MG 1 33 PHE H 4.000 . 6.000 4.346 2.595 4.967 . 0 0 "[ . 1 . 2]" 1
23 1 22 THR MG 1 61 ILE H 4.000 . 6.000 3.574 2.363 5.267 . 0 0 "[ . 1 . 2]" 1
24 1 22 THR MG 1 61 ILE MD 3.000 . 3.500 2.367 2.030 3.498 . 0 0 "[ . 1 . 2]" 1
25 1 22 THR MG 1 61 ILE QG 4.000 . 5.000 2.659 2.164 4.403 . 0 0 "[ . 1 . 2]" 1
26 1 23 THR H 1 23 THR HB 4.000 . 5.000 2.615 2.436 3.641 . 0 0 "[ . 1 . 2]" 1
27 1 23 THR HA 1 24 VAL H 3.000 . 3.500 2.189 2.152 2.245 . 0 0 "[ . 1 . 2]" 1
28 1 23 THR MG 1 31 VAL H 4.000 . 5.000 3.919 2.993 5.090 0.090 11 0 "[ . 1 . 2]" 1
29 1 24 VAL H 1 24 VAL HB 4.000 . 5.000 2.549 2.481 2.615 . 0 0 "[ . 1 . 2]" 1
30 1 24 VAL H 1 24 VAL MG1 4.000 . 5.000 3.827 3.787 3.858 . 0 0 "[ . 1 . 2]" 1
31 1 24 VAL H 1 24 VAL MG2 4.000 . 5.000 2.247 2.020 2.458 . 0 0 "[ . 1 . 2]" 1
32 1 24 VAL H 1 31 VAL H 4.000 . 5.000 4.030 3.479 4.404 . 0 0 "[ . 1 . 2]" 1
33 1 24 VAL HA 1 25 LYS H 3.000 . 3.500 2.175 2.107 2.222 . 0 0 "[ . 1 . 2]" 1
34 1 24 VAL HA 1 31 VAL QG 4.000 . 5.000 4.925 4.710 5.186 0.186 14 0 "[ . 1 . 2]" 1
35 1 24 VAL HA 1 61 ILE HB 4.000 . 5.000 2.431 1.887 3.041 . 0 0 "[ . 1 . 2]" 1
36 1 24 VAL HA 1 61 ILE MD 4.000 . 6.000 4.201 2.991 4.868 . 0 0 "[ . 1 . 2]" 1
37 1 24 VAL HA 1 61 ILE MG 4.000 . 5.000 3.511 2.955 4.092 . 0 0 "[ . 1 . 2]" 1
38 1 24 VAL HB 1 31 VAL H 4.000 . 5.000 3.773 2.782 4.255 . 0 0 "[ . 1 . 2]" 1
39 1 24 VAL HB 1 31 VAL HB 4.000 . 5.000 2.007 1.776 2.486 0.024 17 0 "[ . 1 . 2]" 1
40 1 24 VAL HB 1 31 VAL QG 4.000 . 5.000 2.818 2.483 3.050 . 0 0 "[ . 1 . 2]" 1
41 1 24 VAL HB 1 33 PHE HD2 4.000 . 6.000 4.354 3.285 5.633 . 0 0 "[ . 1 . 2]" 1
42 1 24 VAL MG1 1 25 LYS H 4.000 . 5.000 3.245 2.764 3.389 . 0 0 "[ . 1 . 2]" 1
43 1 24 VAL MG1 1 31 VAL HB 4.000 . 5.000 3.196 2.829 3.584 . 0 0 "[ . 1 . 2]" 1
44 1 24 VAL MG1 1 43 ALA MB 4.000 . 5.000 2.622 2.151 3.225 . 0 0 "[ . 1 . 2]" 1
45 1 24 VAL MG1 1 61 ILE H 4.000 . 6.000 4.770 4.291 5.408 . 0 0 "[ . 1 . 2]" 1
46 1 24 VAL MG1 1 61 ILE HB 4.000 . 5.000 3.005 2.443 3.558 . 0 0 "[ . 1 . 2]" 1
47 1 24 VAL MG1 1 61 ILE MG 4.000 . 5.000 2.608 2.138 3.438 . 0 0 "[ . 1 . 2]" 1
48 1 24 VAL MG1 1 63 VAL H 4.000 . 6.000 3.736 3.219 5.068 . 0 0 "[ . 1 . 2]" 1
49 1 24 VAL MG2 1 25 LYS H 4.000 . 5.000 4.273 4.161 4.375 . 0 0 "[ . 1 . 2]" 1
50 1 24 VAL MG2 1 31 VAL HB 4.000 . 5.000 3.516 2.971 3.961 . 0 0 "[ . 1 . 2]" 1
51 1 24 VAL MG2 1 31 VAL QG 3.000 . 3.500 3.260 2.673 3.554 0.054 1 0 "[ . 1 . 2]" 1
52 1 24 VAL MG2 1 33 PHE HD2 4.000 . 5.000 2.736 1.789 4.489 0.011 1 0 "[ . 1 . 2]" 1
53 1 24 VAL MG2 1 43 ALA H 4.000 . 6.000 4.247 3.550 4.924 . 0 0 "[ . 1 . 2]" 1
54 1 24 VAL MG2 1 43 ALA HA 4.000 . 5.000 3.867 2.984 4.825 . 0 0 "[ . 1 . 2]" 1
55 1 24 VAL MG2 1 43 ALA MB 3.000 . 3.500 2.490 1.923 3.065 . 0 0 "[ . 1 . 2]" 1
56 1 24 VAL MG2 1 61 ILE HB 4.000 . 5.000 2.332 1.851 3.096 . 0 0 "[ . 1 . 2]" 1
57 1 24 VAL MG2 1 61 ILE MG 4.000 . 5.000 2.990 2.591 3.761 . 0 0 "[ . 1 . 2]" 1
58 1 25 LYS H 1 60 THR MG 4.000 . 5.000 3.999 3.088 5.012 0.012 15 0 "[ . 1 . 2]" 1
59 1 25 LYS H 1 61 ILE H 4.000 . 5.000 3.991 3.354 4.615 . 0 0 "[ . 1 . 2]" 1
60 1 25 LYS H 1 61 ILE HB 4.000 . 5.000 3.971 2.925 4.503 . 0 0 "[ . 1 . 2]" 1
61 1 25 LYS H 1 61 ILE MG 4.000 . 6.000 4.232 3.380 4.770 . 0 0 "[ . 1 . 2]" 1
62 1 25 LYS H 1 62 HIS H 4.000 . 6.000 4.652 4.303 4.994 . 0 0 "[ . 1 . 2]" 1
63 1 25 LYS H 1 62 HIS HA 4.000 . 5.000 2.860 2.063 3.520 . 0 0 "[ . 1 . 2]" 1
64 1 25 LYS H 1 62 HIS QB 4.000 . 5.000 4.283 3.593 5.024 0.024 4 0 "[ . 1 . 2]" 1
65 1 25 LYS H 1 63 VAL H 4.000 . 5.000 3.874 3.147 4.453 . 0 0 "[ . 1 . 2]" 1
66 1 25 LYS H 1 63 VAL QG 4.000 . 5.000 4.144 3.321 5.047 0.047 4 0 "[ . 1 . 2]" 1
67 1 25 LYS HA 1 26 LEU H 3.000 . 3.500 2.166 2.089 2.235 . 0 0 "[ . 1 . 2]" 1
68 1 25 LYS QB 1 25 LYS QD 3.000 . 3.500 2.437 2.166 2.919 . 0 0 "[ . 1 . 2]" 1
69 1 25 LYS QB 1 60 THR MG 4.000 . 5.000 3.561 2.255 4.737 . 0 0 "[ . 1 . 2]" 1
70 1 25 LYS QB 1 63 VAL H 4.000 . 5.000 3.854 3.229 4.625 . 0 0 "[ . 1 . 2]" 1
71 1 25 LYS QD 1 60 THR MG 4.000 . 5.000 3.331 1.777 5.106 0.106 14 0 "[ . 1 . 2]" 1
72 1 25 LYS QE 1 25 LYS QG 3.000 . 3.500 2.508 2.185 2.960 . 0 0 "[ . 1 . 2]" 1
73 1 25 LYS QG 1 60 THR MG 4.000 . 5.000 2.950 2.092 4.186 . 0 0 "[ . 1 . 2]" 1
74 1 26 LEU H 1 26 LEU HB2 4.000 . 5.000 2.784 2.415 3.822 . 0 0 "[ . 1 . 2]" 1
75 1 26 LEU H 1 26 LEU QB 3.000 . 3.500 2.487 2.201 3.166 . 0 0 "[ . 1 . 2]" 1
76 1 26 LEU H 1 26 LEU HB3 4.000 . 5.000 3.001 2.394 3.824 . 0 0 "[ . 1 . 2]" 1
77 1 26 LEU H 1 26 LEU MD1 4.000 . 6.000 4.018 1.964 4.444 . 0 0 "[ . 1 . 2]" 1
78 1 26 LEU H 1 26 LEU QD 4.000 . 5.000 3.235 1.764 3.896 0.036 6 0 "[ . 1 . 2]" 1
79 1 26 LEU H 1 26 LEU MD2 4.000 . 6.000 3.668 1.766 4.409 0.034 6 0 "[ . 1 . 2]" 1
80 1 26 LEU H 1 29 ILE HB 4.000 . 5.000 3.820 2.701 4.378 . 0 0 "[ . 1 . 2]" 1
81 1 26 LEU H 1 29 ILE MG 4.000 . 6.000 4.243 3.786 4.661 . 0 0 "[ . 1 . 2]" 1
82 1 26 LEU H 1 31 VAL H 4.000 . 5.000 3.853 3.058 4.473 . 0 0 "[ . 1 . 2]" 1
83 1 26 LEU H 1 31 VAL QG 4.000 . 6.000 3.876 2.723 4.788 . 0 0 "[ . 1 . 2]" 1
84 1 26 LEU HA 1 26 LEU QD 4.000 . 5.000 2.523 2.086 3.421 . 0 0 "[ . 1 . 2]" 1
85 1 26 LEU HA 1 63 VAL H 4.000 . 5.000 3.324 2.808 4.004 . 0 0 "[ . 1 . 2]" 1
86 1 26 LEU HA 1 63 VAL HB 4.000 . 5.000 2.740 2.113 4.304 . 0 0 "[ . 1 . 2]" 1
87 1 26 LEU QB 1 29 ILE MD 4.000 . 6.000 3.442 2.201 4.658 . 0 0 "[ . 1 . 2]" 1
88 1 26 LEU QB 1 29 ILE MG 4.000 . 5.000 3.313 2.757 4.805 . 0 0 "[ . 1 . 2]" 1
89 1 26 LEU QB 1 46 LEU QD 4.000 . 5.000 3.596 2.499 4.615 . 0 0 "[ . 1 . 2]" 1
90 1 26 LEU QB 1 63 VAL HB 4.000 . 5.000 3.537 1.735 4.815 0.065 6 0 "[ . 1 . 2]" 1
91 1 26 LEU QB 1 63 VAL QG 4.000 . 6.000 3.474 2.164 4.846 . 0 0 "[ . 1 . 2]" 1
92 1 26 LEU HB2 1 29 ILE MG 4.000 . 6.000 3.952 3.184 5.399 . 0 0 "[ . 1 . 2]" 1
93 1 26 LEU HB3 1 29 ILE MG 4.000 . 6.000 3.819 2.821 5.388 . 0 0 "[ . 1 . 2]" 1
94 1 26 LEU QD 1 46 LEU QB 4.000 . 5.000 3.525 1.941 4.884 . 0 0 "[ . 1 . 2]" 1
95 1 26 LEU QD 1 63 VAL HB 4.000 . 5.000 2.542 1.896 4.047 . 0 0 "[ . 1 . 2]" 1
96 1 26 LEU MD1 1 63 VAL HB 4.000 . 5.000 3.163 2.003 4.754 . 0 0 "[ . 1 . 2]" 1
97 1 26 LEU MD2 1 63 VAL HB 4.000 . 5.000 3.873 1.898 5.152 0.152 4 0 "[ . 1 . 2]" 1
98 1 26 LEU HG 1 63 VAL HB 4.000 . 5.000 4.182 2.032 5.022 0.022 14 0 "[ . 1 . 2]" 1
99 1 28 ASP H 1 29 ILE H 4.000 . 5.000 3.056 2.653 3.503 . 0 0 "[ . 1 . 2]" 1
100 1 29 ILE H 1 29 ILE HB 3.000 . 3.500 2.606 2.480 2.780 . 0 0 "[ . 1 . 2]" 1
101 1 29 ILE H 1 29 ILE MD 4.000 . 5.000 3.824 3.454 4.261 . 0 0 "[ . 1 . 2]" 1
102 1 29 ILE H 1 29 ILE HG12 4.000 . 5.000 3.644 3.213 4.142 . 0 0 "[ . 1 . 2]" 1
103 1 29 ILE H 1 29 ILE HG13 4.000 . 5.000 2.456 1.962 3.047 . 0 0 "[ . 1 . 2]" 1
104 1 29 ILE H 1 29 ILE MG 4.000 . 5.000 3.853 3.782 3.954 . 0 0 "[ . 1 . 2]" 1
105 1 29 ILE H 1 30 LYS H 4.000 . 5.000 4.418 3.983 4.623 . 0 0 "[ . 1 . 2]" 1
106 1 29 ILE HA 1 29 ILE MD 4.000 . 5.000 3.922 3.881 3.972 . 0 0 "[ . 1 . 2]" 1
107 1 29 ILE HA 1 29 ILE HG12 4.000 . 5.000 2.644 2.568 2.761 . 0 0 "[ . 1 . 2]" 1
108 1 29 ILE HA 1 29 ILE HG13 4.000 . 5.000 3.114 3.022 3.235 . 0 0 "[ . 1 . 2]" 1
109 1 29 ILE HA 1 30 LYS H 3.000 . 3.500 2.191 2.138 2.250 . 0 0 "[ . 1 . 2]" 1
110 1 29 ILE HB 1 30 LYS H 4.000 . 5.000 4.209 3.991 4.513 . 0 0 "[ . 1 . 2]" 1
111 1 29 ILE HG12 1 30 LYS H 4.000 . 5.000 4.561 4.366 4.943 . 0 0 "[ . 1 . 2]" 1
112 1 29 ILE MG 1 30 LYS H 4.000 . 5.000 2.791 2.429 3.434 . 0 0 "[ . 1 . 2]" 1
113 1 29 ILE MG 1 31 VAL HA 4.000 . 5.000 4.180 3.473 4.641 . 0 0 "[ . 1 . 2]" 1
114 1 30 LYS H 1 30 LYS QB 3.000 . 3.500 2.591 2.328 3.041 . 0 0 "[ . 1 . 2]" 1
115 1 30 LYS H 1 30 LYS QG 4.000 . 5.000 2.945 2.066 4.090 . 0 0 "[ . 1 . 2]" 1
116 1 30 LYS HA 1 31 VAL H 3.000 . 3.500 2.161 2.107 2.227 . 0 0 "[ . 1 . 2]" 1
117 1 31 VAL H 1 31 VAL HB 4.000 . 5.000 2.697 2.453 2.836 . 0 0 "[ . 1 . 2]" 1
118 1 31 VAL H 1 31 VAL QG 4.000 . 5.000 2.479 2.063 2.767 . 0 0 "[ . 1 . 2]" 1
119 1 31 VAL HA 1 32 THR H 3.000 . 3.500 2.282 2.192 2.380 . 0 0 "[ . 1 . 2]" 1
120 1 31 VAL HB 1 32 THR H 4.000 . 5.000 4.067 3.659 4.529 . 0 0 "[ . 1 . 2]" 1
121 1 31 VAL QG 1 32 THR H 4.000 . 5.000 2.634 2.210 3.461 . 0 0 "[ . 1 . 2]" 1
122 1 32 THR H 1 32 THR HB 4.000 . 5.000 3.301 2.803 3.853 . 0 0 "[ . 1 . 2]" 1
123 1 32 THR H 1 32 THR MG 4.000 . 5.000 2.795 1.981 4.001 . 0 0 "[ . 1 . 2]" 1
124 1 32 THR HA 1 32 THR MG 3.000 . 3.500 2.888 2.371 3.286 . 0 0 "[ . 1 . 2]" 1
125 1 32 THR HA 1 33 PHE H 3.000 . 3.500 2.197 2.121 2.309 . 0 0 "[ . 1 . 2]" 1
126 1 32 THR HB 1 33 PHE H 4.000 . 5.000 3.911 3.084 4.370 . 0 0 "[ . 1 . 2]" 1
127 1 32 THR MG 1 33 PHE H 4.000 . 5.000 3.659 2.559 4.211 . 0 0 "[ . 1 . 2]" 1
128 1 33 PHE H 1 33 PHE HD2 4.000 . 5.000 3.494 2.902 4.868 . 0 0 "[ . 1 . 2]" 1
129 1 33 PHE QB 1 39 ALA MB 4.000 . 5.000 2.208 1.788 3.408 0.012 9 0 "[ . 1 . 2]" 1
130 1 33 PHE HB2 1 39 ALA MB 4.000 . 5.000 2.382 1.796 3.542 0.004 9 0 "[ . 1 . 2]" 1
131 1 33 PHE HB3 1 39 ALA MB 4.000 . 5.000 3.052 1.932 4.434 . 0 0 "[ . 1 . 2]" 1
132 1 36 PRO HA 1 39 ALA H 4.000 . 5.000 3.604 3.096 4.658 . 0 0 "[ . 1 . 2]" 1
133 1 36 PRO HA 1 39 ALA MB 3.000 . 3.500 2.538 1.934 3.648 0.148 20 0 "[ . 1 . 2]" 1
134 1 36 PRO QD 1 37 GLU H 4.000 . 5.000 2.931 2.604 3.177 . 0 0 "[ . 1 . 2]" 1
135 1 36 PRO HG2 1 37 GLU H 4.000 . 5.000 3.318 2.143 4.638 . 0 0 "[ . 1 . 2]" 1
136 1 36 PRO HG3 1 37 GLU H 4.000 . 6.000 4.424 3.790 4.973 . 0 0 "[ . 1 . 2]" 1
137 1 37 GLU H 1 37 GLU HB2 4.000 . 5.000 2.727 2.202 3.659 . 0 0 "[ . 1 . 2]" 1
138 1 37 GLU H 1 37 GLU QB 3.000 . 3.500 2.406 2.119 2.978 . 0 0 "[ . 1 . 2]" 1
139 1 37 GLU H 1 37 GLU HB3 4.000 . 5.000 2.940 2.408 3.725 . 0 0 "[ . 1 . 2]" 1
140 1 37 GLU H 1 37 GLU QG 4.000 . 5.000 3.278 2.051 4.176 . 0 0 "[ . 1 . 2]" 1
141 1 37 GLU H 1 38 LYS H 3.000 . 3.500 2.756 2.468 3.038 . 0 0 "[ . 1 . 2]" 1
142 1 37 GLU H 1 38 LYS QB 4.000 . 6.000 4.860 4.188 5.545 . 0 0 "[ . 1 . 2]" 1
143 1 37 GLU QB 1 38 LYS H 4.000 . 5.000 2.619 1.882 3.724 . 0 0 "[ . 1 . 2]" 1
144 1 37 GLU HB2 1 38 LYS H 4.000 . 5.000 3.391 1.901 4.549 . 0 0 "[ . 1 . 2]" 1
145 1 37 GLU HB3 1 38 LYS H 4.000 . 5.000 3.070 2.022 4.170 . 0 0 "[ . 1 . 2]" 1
146 1 37 GLU QG 1 38 LYS H 4.000 . 5.000 3.638 2.085 4.499 . 0 0 "[ . 1 . 2]" 1
147 1 38 LYS H 1 38 LYS QG 4.000 . 5.000 2.746 2.019 4.018 . 0 0 "[ . 1 . 2]" 1
148 1 38 LYS H 1 39 ALA H 3.000 . 3.500 2.463 2.049 2.776 . 0 0 "[ . 1 . 2]" 1
149 1 38 LYS HA 1 38 LYS HG2 4.000 . 5.000 3.103 2.572 3.810 . 0 0 "[ . 1 . 2]" 1
150 1 38 LYS HA 1 38 LYS HG3 4.000 . 5.000 3.134 2.440 3.889 . 0 0 "[ . 1 . 2]" 1
151 1 38 LYS HA 1 41 LYS H 4.000 . 5.000 3.744 3.016 4.869 . 0 0 "[ . 1 . 2]" 1
152 1 38 LYS HA 1 41 LYS QB 4.000 . 5.000 3.387 2.345 5.078 0.078 2 0 "[ . 1 . 2]" 1
153 1 38 LYS QB 1 39 ALA H 4.000 . 5.000 2.927 2.118 3.943 . 0 0 "[ . 1 . 2]" 1
154 1 39 ALA H 1 39 ALA MB 3.000 . 3.500 2.234 2.184 2.307 . 0 0 "[ . 1 . 2]" 1
155 1 39 ALA H 1 40 LYS H 4.000 . 5.000 2.678 2.213 2.838 . 0 0 "[ . 1 . 2]" 1
156 1 39 ALA H 1 41 LYS H 4.000 . 5.000 4.189 3.869 4.490 . 0 0 "[ . 1 . 2]" 1
157 1 39 ALA HA 1 42 TYR H 4.000 . 5.000 3.594 2.793 4.185 . 0 0 "[ . 1 . 2]" 1
158 1 39 ALA HA 1 42 TYR QB 4.000 . 5.000 2.845 1.971 4.447 . 0 0 "[ . 1 . 2]" 1
159 1 39 ALA HA 1 42 TYR HD1 4.000 . 5.000 3.635 1.831 5.117 0.117 3 0 "[ . 1 . 2]" 1
160 1 39 ALA MB 1 40 LYS H 4.000 . 5.000 2.651 2.223 3.176 . 0 0 "[ . 1 . 2]" 1
161 1 39 ALA MB 1 43 ALA H 4.000 . 5.000 4.608 4.057 4.925 . 0 0 "[ . 1 . 2]" 1
162 1 40 LYS H 1 40 LYS HB2 4.000 . 5.000 2.770 2.340 3.661 . 0 0 "[ . 1 . 2]" 1
163 1 40 LYS H 1 40 LYS QB 3.000 . 3.500 2.378 2.159 2.573 . 0 0 "[ . 1 . 2]" 1
164 1 40 LYS H 1 40 LYS HB3 4.000 . 5.000 2.912 2.474 3.636 . 0 0 "[ . 1 . 2]" 1
165 1 40 LYS H 1 40 LYS HG2 4.000 . 6.000 3.593 2.095 4.567 . 0 0 "[ . 1 . 2]" 1
166 1 40 LYS H 1 40 LYS QG 4.000 . 5.000 2.969 1.987 4.044 . 0 0 "[ . 1 . 2]" 1
167 1 40 LYS H 1 40 LYS HG3 4.000 . 6.000 3.485 2.003 4.592 . 0 0 "[ . 1 . 2]" 1
168 1 40 LYS H 1 41 LYS H 3.000 . 3.500 2.619 2.485 2.916 . 0 0 "[ . 1 . 2]" 1
169 1 40 LYS H 1 61 ILE MD 4.000 . 5.000 3.712 3.048 4.717 . 0 0 "[ . 1 . 2]" 1
170 1 40 LYS HA 1 43 ALA H 4.000 . 5.000 3.612 3.171 4.404 . 0 0 "[ . 1 . 2]" 1
171 1 40 LYS HA 1 43 ALA MB 4.000 . 5.000 2.721 2.067 3.763 . 0 0 "[ . 1 . 2]" 1
172 1 40 LYS HA 1 61 ILE MD 4.000 . 5.000 2.481 1.887 3.029 . 0 0 "[ . 1 . 2]" 1
173 1 40 LYS HA 1 61 ILE MG 4.000 . 6.000 4.037 3.149 5.090 . 0 0 "[ . 1 . 2]" 1
174 1 41 LYS H 1 41 LYS QB 3.000 . 3.500 2.426 2.093 3.025 . 0 0 "[ . 1 . 2]" 1
175 1 41 LYS H 1 41 LYS HD2 4.000 . 6.000 4.584 3.610 5.155 . 0 0 "[ . 1 . 2]" 1
176 1 41 LYS H 1 41 LYS HD3 4.000 . 6.000 4.590 3.574 5.243 . 0 0 "[ . 1 . 2]" 1
177 1 41 LYS H 1 41 LYS HG2 4.000 . 5.000 3.724 2.235 4.737 . 0 0 "[ . 1 . 2]" 1
178 1 41 LYS H 1 41 LYS QG 4.000 . 5.000 3.009 1.838 4.141 . 0 0 "[ . 1 . 2]" 1
179 1 41 LYS H 1 41 LYS HG3 4.000 . 5.000 3.464 1.847 4.650 . 0 0 "[ . 1 . 2]" 1
180 1 41 LYS H 1 42 TYR HD1 4.000 . 6.000 5.455 3.559 6.229 0.229 8 0 "[ . 1 . 2]" 1
181 1 41 LYS HA 1 42 TYR HA 4.000 . 5.000 4.796 4.569 4.956 . 0 0 "[ . 1 . 2]" 1
182 1 41 LYS HA 1 44 GLN H 4.000 . 5.000 3.791 3.102 4.462 . 0 0 "[ . 1 . 2]" 1
183 1 41 LYS HA 1 44 GLN QB 4.000 . 5.000 3.758 2.116 4.719 . 0 0 "[ . 1 . 2]" 1
184 1 41 LYS QB 1 42 TYR H 3.000 . 3.500 2.751 2.212 3.584 0.084 4 0 "[ . 1 . 2]" 1
185 1 41 LYS QB 1 42 TYR QB 4.000 . 5.000 4.154 3.422 4.876 . 0 0 "[ . 1 . 2]" 1
186 1 41 LYS HB2 1 42 TYR H 4.000 . 5.000 3.317 2.243 4.166 . 0 0 "[ . 1 . 2]" 1
187 1 41 LYS HB2 1 43 ALA H 4.000 . 6.000 5.356 4.669 6.055 0.055 15 0 "[ . 1 . 2]" 1
188 1 41 LYS HB3 1 42 TYR H 4.000 . 5.000 3.372 2.442 4.336 . 0 0 "[ . 1 . 2]" 1
189 1 41 LYS HB3 1 43 ALA H 4.000 . 6.000 5.411 4.740 6.102 0.102 2 0 "[ . 1 . 2]" 1
190 1 41 LYS QG 1 42 TYR H 4.000 . 6.000 3.802 2.069 4.382 . 0 0 "[ . 1 . 2]" 1
191 1 42 TYR H 1 42 TYR HB2 4.000 . 5.000 2.676 2.282 3.734 . 0 0 "[ . 1 . 2]" 1
192 1 42 TYR H 1 42 TYR HB3 4.000 . 5.000 2.810 2.224 3.862 . 0 0 "[ . 1 . 2]" 1
193 1 42 TYR H 1 42 TYR HD1 4.000 . 5.000 3.862 2.124 4.667 . 0 0 "[ . 1 . 2]" 1
194 1 42 TYR H 1 43 ALA H 4.000 . 5.000 2.498 1.916 2.755 . 0 0 "[ . 1 . 2]" 1
195 1 42 TYR HA 1 42 TYR HD1 4.000 . 5.000 4.221 2.457 4.664 . 0 0 "[ . 1 . 2]" 1
196 1 42 TYR HA 1 42 TYR HD2 4.000 . 5.000 3.049 2.224 4.518 . 0 0 "[ . 1 . 2]" 1
197 1 42 TYR HA 1 45 LYS H 4.000 . 5.000 3.566 2.956 4.158 . 0 0 "[ . 1 . 2]" 1
198 1 42 TYR HA 1 45 LYS HB2 4.000 . 5.000 3.633 3.012 4.270 . 0 0 "[ . 1 . 2]" 1
199 1 42 TYR HA 1 45 LYS QB 4.000 . 5.000 2.860 2.203 3.673 . 0 0 "[ . 1 . 2]" 1
200 1 42 TYR HA 1 45 LYS HB3 4.000 . 5.000 3.033 2.265 4.162 . 0 0 "[ . 1 . 2]" 1
201 1 42 TYR QB 1 43 ALA H 4.000 . 5.000 2.856 2.439 3.702 . 0 0 "[ . 1 . 2]" 1
202 1 42 TYR HB2 1 43 ALA H 4.000 . 5.000 3.707 2.742 4.225 . 0 0 "[ . 1 . 2]" 1
203 1 42 TYR HB3 1 43 ALA H 4.000 . 5.000 3.243 2.468 4.257 . 0 0 "[ . 1 . 2]" 1
204 1 42 TYR HD1 1 43 ALA H 4.000 . 5.000 4.009 3.148 5.221 0.221 10 0 "[ . 1 . 2]" 1
205 1 43 ALA H 1 43 ALA MB 3.000 . 3.500 2.258 2.217 2.303 . 0 0 "[ . 1 . 2]" 1
206 1 43 ALA H 1 44 GLN H 4.000 . 5.000 2.625 2.451 2.827 . 0 0 "[ . 1 . 2]" 1
207 1 43 ALA H 1 46 LEU QB 4.000 . 6.000 4.810 4.308 5.880 . 0 0 "[ . 1 . 2]" 1
208 1 43 ALA H 1 61 ILE MD 4.000 . 5.000 4.385 3.783 5.074 0.074 9 0 "[ . 1 . 2]" 1
209 1 43 ALA HA 1 46 LEU H 4.000 . 5.000 3.318 2.903 3.750 . 0 0 "[ . 1 . 2]" 1
210 1 43 ALA HA 1 46 LEU QB 4.000 . 5.000 2.530 2.052 3.381 . 0 0 "[ . 1 . 2]" 1
211 1 43 ALA HA 1 46 LEU QD 4.000 . 5.000 2.891 2.069 3.815 . 0 0 "[ . 1 . 2]" 1
212 1 43 ALA HA 1 46 LEU HG 4.000 . 6.000 4.387 2.572 5.692 . 0 0 "[ . 1 . 2]" 1
213 1 43 ALA HA 1 61 ILE MG 4.000 . 5.000 4.459 3.921 4.836 . 0 0 "[ . 1 . 2]" 1
214 1 43 ALA MB 1 44 GLN H 4.000 . 5.000 2.669 2.418 2.881 . 0 0 "[ . 1 . 2]" 1
215 1 43 ALA MB 1 46 LEU QB 4.000 . 5.000 3.724 3.392 4.359 . 0 0 "[ . 1 . 2]" 1
216 1 43 ALA MB 1 61 ILE HB 4.000 . 6.000 3.694 2.761 4.398 . 0 0 "[ . 1 . 2]" 1
217 1 43 ALA MB 1 61 ILE MD 4.000 . 5.000 2.580 1.863 3.225 . 0 0 "[ . 1 . 2]" 1
218 1 43 ALA MB 1 61 ILE MG 3.000 . 3.500 2.255 1.897 2.592 . 0 0 "[ . 1 . 2]" 1
219 1 44 GLN H 1 44 GLN HB2 4.000 . 5.000 3.154 2.432 3.661 . 0 0 "[ . 1 . 2]" 1
220 1 44 GLN H 1 44 GLN QB 3.000 . 3.500 2.546 2.397 2.685 . 0 0 "[ . 1 . 2]" 1
221 1 44 GLN H 1 44 GLN HB3 4.000 . 5.000 3.079 2.543 3.682 . 0 0 "[ . 1 . 2]" 1
222 1 44 GLN H 1 44 GLN HG2 4.000 . 5.000 2.693 2.026 3.694 . 0 0 "[ . 1 . 2]" 1
223 1 44 GLN H 1 44 GLN QG 3.000 . 3.500 2.160 1.966 2.452 . 0 0 "[ . 1 . 2]" 1
224 1 44 GLN H 1 44 GLN HG3 4.000 . 5.000 2.950 1.984 3.911 . 0 0 "[ . 1 . 2]" 1
225 1 44 GLN H 1 45 LYS H 3.000 . 3.500 2.603 2.471 2.869 . 0 0 "[ . 1 . 2]" 1
226 1 44 GLN H 1 54 VAL QG 4.000 . 5.000 3.368 2.960 4.162 . 0 0 "[ . 1 . 2]" 1
227 1 44 GLN HA 1 47 ALA H 4.000 . 5.000 3.512 3.249 3.919 . 0 0 "[ . 1 . 2]" 1
228 1 44 GLN HA 1 47 ALA MB 3.000 . 3.500 2.706 2.180 3.225 . 0 0 "[ . 1 . 2]" 1
229 1 44 GLN HA 1 54 VAL HB 4.000 . 5.000 4.047 2.131 5.127 0.127 14 0 "[ . 1 . 2]" 1
230 1 44 GLN HA 1 54 VAL QG 4.000 . 5.000 2.239 1.725 3.293 0.075 4 0 "[ . 1 . 2]" 1
231 1 44 GLN QB 1 45 LYS H 4.000 . 5.000 3.174 2.358 3.693 . 0 0 "[ . 1 . 2]" 1
232 1 44 GLN QB 1 45 LYS HA 4.000 . 6.000 4.329 3.862 4.643 . 0 0 "[ . 1 . 2]" 1
233 1 44 GLN HB2 1 45 LYS H 4.000 . 5.000 3.406 2.390 4.067 . 0 0 "[ . 1 . 2]" 1
234 1 44 GLN HB3 1 45 LYS H 4.000 . 5.000 3.966 3.613 4.273 . 0 0 "[ . 1 . 2]" 1
235 1 44 GLN QG 1 54 VAL QG 4.000 . 5.000 3.479 1.717 4.829 0.083 18 0 "[ . 1 . 2]" 1
236 1 45 LYS H 1 45 LYS HB2 4.000 . 5.000 2.584 2.419 2.697 . 0 0 "[ . 1 . 2]" 1
237 1 45 LYS H 1 45 LYS QB 3.000 . 3.500 2.255 2.201 2.332 . 0 0 "[ . 1 . 2]" 1
238 1 45 LYS H 1 45 LYS HB3 4.000 . 5.000 2.496 2.403 2.688 . 0 0 "[ . 1 . 2]" 1
239 1 45 LYS H 1 45 LYS QD 4.000 . 6.000 4.587 4.280 4.816 . 0 0 "[ . 1 . 2]" 1
240 1 45 LYS H 1 46 LEU H 4.000 . 5.000 2.548 2.315 2.714 . 0 0 "[ . 1 . 2]" 1
241 1 45 LYS QB 1 46 LEU H 4.000 . 5.000 2.589 2.388 2.935 . 0 0 "[ . 1 . 2]" 1
242 1 45 LYS QD 1 49 ILE MD 4.000 . 5.000 3.295 2.485 4.518 . 0 0 "[ . 1 . 2]" 1
243 1 45 LYS HD2 1 49 ILE MD 4.000 . 6.000 3.805 2.667 4.792 . 0 0 "[ . 1 . 2]" 1
244 1 45 LYS HD3 1 49 ILE MD 4.000 . 6.000 3.834 2.659 5.557 . 0 0 "[ . 1 . 2]" 1
245 1 45 LYS QG 1 49 ILE MD 4.000 . 5.000 2.636 1.916 4.732 . 0 0 "[ . 1 . 2]" 1
246 1 46 LEU H 1 46 LEU HB2 4.000 . 5.000 2.459 2.283 2.613 . 0 0 "[ . 1 . 2]" 1
247 1 46 LEU H 1 46 LEU HB3 4.000 . 5.000 2.910 2.388 3.639 . 0 0 "[ . 1 . 2]" 1
248 1 46 LEU H 1 46 LEU MD1 4.000 . 6.000 3.854 2.191 4.304 . 0 0 "[ . 1 . 2]" 1
249 1 46 LEU H 1 46 LEU QD 4.000 . 5.000 3.416 2.181 3.832 . 0 0 "[ . 1 . 2]" 1
250 1 46 LEU H 1 46 LEU MD2 4.000 . 6.000 3.973 3.041 4.386 . 0 0 "[ . 1 . 2]" 1
251 1 46 LEU H 1 46 LEU HG 4.000 . 6.000 3.872 2.080 4.616 . 0 0 "[ . 1 . 2]" 1
252 1 46 LEU H 1 47 ALA H 4.000 . 5.000 2.645 2.471 2.848 . 0 0 "[ . 1 . 2]" 1
253 1 46 LEU HA 1 46 LEU QD 3.000 . 3.500 2.468 2.048 3.157 . 0 0 "[ . 1 . 2]" 1
254 1 46 LEU HA 1 46 LEU HG 4.000 . 5.000 2.979 2.495 3.788 . 0 0 "[ . 1 . 2]" 1
255 1 46 LEU HA 1 49 ILE H 4.000 . 5.000 3.474 2.997 3.961 . 0 0 "[ . 1 . 2]" 1
256 1 46 LEU HA 1 49 ILE HB 4.000 . 5.000 2.833 2.141 3.759 . 0 0 "[ . 1 . 2]" 1
257 1 46 LEU HA 1 49 ILE MD 4.000 . 5.000 2.837 1.889 5.089 0.089 10 0 "[ . 1 . 2]" 1
258 1 46 LEU HA 1 49 ILE QG 4.000 . 5.000 3.217 2.433 4.649 . 0 0 "[ . 1 . 2]" 1
259 1 46 LEU HA 1 49 ILE MG 4.000 . 5.000 4.121 3.607 5.068 0.068 16 0 "[ . 1 . 2]" 1
260 1 46 LEU HA 1 50 TYR HD2 4.000 . 5.000 3.416 2.157 4.695 . 0 0 "[ . 1 . 2]" 1
261 1 46 LEU QB 1 47 ALA H 4.000 . 5.000 2.657 2.326 3.092 . 0 0 "[ . 1 . 2]" 1
262 1 46 LEU QB 1 50 TYR HD2 4.000 . 6.000 3.903 2.485 5.011 . 0 0 "[ . 1 . 2]" 1
263 1 46 LEU HB2 1 47 ALA H 4.000 . 5.000 3.496 2.609 3.961 . 0 0 "[ . 1 . 2]" 1
264 1 46 LEU HB3 1 47 ALA H 4.000 . 5.000 3.041 2.355 3.970 . 0 0 "[ . 1 . 2]" 1
265 1 46 LEU QD 1 47 ALA H 4.000 . 5.000 3.828 3.272 4.203 . 0 0 "[ . 1 . 2]" 1
266 1 46 LEU QD 1 63 VAL HB 4.000 . 5.000 4.283 2.801 4.971 . 0 0 "[ . 1 . 2]" 1
267 1 46 LEU QD 1 63 VAL QG 4.000 . 5.000 2.738 1.717 4.298 0.083 19 0 "[ . 1 . 2]" 1
268 1 47 ALA H 1 47 ALA MB 3.000 . 3.500 2.242 2.215 2.276 . 0 0 "[ . 1 . 2]" 1
269 1 47 ALA H 1 48 LYS H 4.000 . 5.000 2.737 2.575 3.685 . 0 0 "[ . 1 . 2]" 1
270 1 47 ALA H 1 54 VAL QG 4.000 . 5.000 3.510 2.651 4.428 . 0 0 "[ . 1 . 2]" 1
271 1 47 ALA HA 1 48 LYS HA 4.000 . 6.000 4.780 4.438 4.921 . 0 0 "[ . 1 . 2]" 1
272 1 47 ALA HA 1 51 GLN HA 4.000 . 6.000 5.250 3.429 6.238 0.238 12 0 "[ . 1 . 2]" 1
273 1 47 ALA HA 1 52 LEU H 4.000 . 5.000 3.329 2.257 3.932 . 0 0 "[ . 1 . 2]" 1
274 1 47 ALA HA 1 52 LEU QB 4.000 . 5.000 3.101 2.150 4.673 . 0 0 "[ . 1 . 2]" 1
275 1 47 ALA HA 1 54 VAL QG 4.000 . 5.000 3.930 2.587 5.034 0.034 8 0 "[ . 1 . 2]" 1
276 1 47 ALA HA 1 63 VAL QG 4.000 . 6.000 2.773 1.775 4.553 0.025 11 0 "[ . 1 . 2]" 1
277 1 47 ALA MB 1 48 LYS H 4.000 . 5.000 2.669 2.310 3.728 . 0 0 "[ . 1 . 2]" 1
278 1 47 ALA MB 1 52 LEU H 4.000 . 5.000 3.976 3.368 4.958 . 0 0 "[ . 1 . 2]" 1
279 1 47 ALA MB 1 52 LEU QB 4.000 . 5.000 3.631 2.486 4.946 . 0 0 "[ . 1 . 2]" 1
280 1 47 ALA MB 1 54 VAL H 4.000 . 5.000 2.979 2.108 3.862 . 0 0 "[ . 1 . 2]" 1
281 1 47 ALA MB 1 54 VAL QG 3.000 . 3.500 2.051 1.669 2.863 0.131 11 0 "[ . 1 . 2]" 1
282 1 48 LYS H 1 48 LYS HB2 4.000 . 5.000 2.536 2.319 3.630 . 0 0 "[ . 1 . 2]" 1
283 1 48 LYS H 1 48 LYS QB 3.000 . 3.500 2.354 2.203 3.031 . 0 0 "[ . 1 . 2]" 1
284 1 48 LYS H 1 48 LYS HB3 4.000 . 5.000 2.994 2.446 3.672 . 0 0 "[ . 1 . 2]" 1
285 1 48 LYS H 1 49 ILE H 3.000 . 3.500 2.553 2.292 2.793 . 0 0 "[ . 1 . 2]" 1
286 1 48 LYS H 1 49 ILE QG 4.000 . 5.000 4.096 3.798 4.365 . 0 0 "[ . 1 . 2]" 1
287 1 48 LYS HA 1 48 LYS QD 4.000 . 5.000 3.660 2.023 4.376 . 0 0 "[ . 1 . 2]" 1
288 1 48 LYS HA 1 49 ILE QG 4.000 . 6.000 5.169 4.845 5.359 . 0 0 "[ . 1 . 2]" 1
289 1 48 LYS QB 1 49 ILE H 4.000 . 5.000 2.714 2.173 3.525 . 0 0 "[ . 1 . 2]" 1
290 1 48 LYS QB 1 49 ILE QG 4.000 . 5.000 3.312 2.584 4.029 . 0 0 "[ . 1 . 2]" 1
291 1 49 ILE H 1 49 ILE HB 4.000 . 5.000 2.508 2.435 2.626 . 0 0 "[ . 1 . 2]" 1
292 1 49 ILE H 1 49 ILE MD 4.000 . 5.000 3.536 3.219 3.827 . 0 0 "[ . 1 . 2]" 1
293 1 49 ILE H 1 49 ILE HG12 4.000 . 5.000 3.276 2.178 3.697 . 0 0 "[ . 1 . 2]" 1
294 1 49 ILE H 1 49 ILE QG 4.000 . 5.000 2.220 2.001 2.471 . 0 0 "[ . 1 . 2]" 1
295 1 49 ILE H 1 49 ILE HG13 4.000 . 5.000 2.534 2.016 3.806 . 0 0 "[ . 1 . 2]" 1
296 1 49 ILE H 1 49 ILE MG 4.000 . 5.000 3.818 3.798 3.846 . 0 0 "[ . 1 . 2]" 1
297 1 49 ILE HA 1 49 ILE MD 4.000 . 5.000 3.547 2.084 3.972 . 0 0 "[ . 1 . 2]" 1
298 1 49 ILE HA 1 49 ILE HG12 4.000 . 5.000 2.725 2.561 3.139 . 0 0 "[ . 1 . 2]" 1
299 1 49 ILE HA 1 49 ILE HG13 4.000 . 5.000 3.157 2.911 3.789 . 0 0 "[ . 1 . 2]" 1
300 1 49 ILE HB 1 50 TYR H 4.000 . 5.000 2.449 2.086 2.782 . 0 0 "[ . 1 . 2]" 1
301 1 49 ILE HB 1 50 TYR HD2 4.000 . 5.000 2.856 2.078 3.855 . 0 0 "[ . 1 . 2]" 1
302 1 49 ILE MD 1 49 ILE MG 3.000 . 3.500 2.055 1.977 2.162 . 0 0 "[ . 1 . 2]" 1
303 1 49 ILE MG 1 50 TYR H 4.000 . 5.000 3.257 2.779 3.517 . 0 0 "[ . 1 . 2]" 1
304 1 49 ILE MG 1 50 TYR HD2 4.000 . 5.000 3.510 2.552 4.422 . 0 0 "[ . 1 . 2]" 1
305 1 50 TYR H 1 50 TYR HB2 4.000 . 5.000 2.436 2.307 2.649 . 0 0 "[ . 1 . 2]" 1
306 1 50 TYR H 1 50 TYR QB 3.000 . 3.500 2.401 2.280 2.596 . 0 0 "[ . 1 . 2]" 1
307 1 50 TYR H 1 50 TYR HB3 4.000 . 5.000 3.636 3.575 3.725 . 0 0 "[ . 1 . 2]" 1
308 1 50 TYR H 1 50 TYR HD2 4.000 . 5.000 2.570 2.202 3.093 . 0 0 "[ . 1 . 2]" 1
309 1 50 TYR H 1 51 GLN H 4.000 . 5.000 2.691 2.325 4.609 . 0 0 "[ . 1 . 2]" 1
310 1 50 TYR HA 1 52 LEU QD 4.000 . 5.000 4.228 3.526 4.689 . 0 0 "[ . 1 . 2]" 1
311 1 50 TYR QB 1 52 LEU QB 4.000 . 5.000 3.102 2.684 4.285 . 0 0 "[ . 1 . 2]" 1
312 1 50 TYR QB 1 52 LEU QD 4.000 . 5.000 2.270 1.852 2.758 . 0 0 "[ . 1 . 2]" 1
313 1 50 TYR QB 1 52 LEU HG 4.000 . 5.000 2.737 1.885 4.408 . 0 0 "[ . 1 . 2]" 1
314 1 50 TYR HB2 1 52 LEU HG 4.000 . 5.000 3.338 1.960 5.015 0.015 11 0 "[ . 1 . 2]" 1
315 1 50 TYR HB3 1 52 LEU HG 4.000 . 5.000 2.958 2.072 5.084 0.084 16 0 "[ . 1 . 2]" 1
316 1 50 TYR HD1 1 52 LEU QD 4.000 . 5.000 3.850 2.853 4.506 . 0 0 "[ . 1 . 2]" 1
317 1 50 TYR HD2 1 52 LEU QD 4.000 . 6.000 4.409 3.416 5.103 . 0 0 "[ . 1 . 2]" 1
318 1 51 GLN H 1 51 GLN QG 4.000 . 5.000 3.084 2.514 4.278 . 0 0 "[ . 1 . 2]" 1
319 1 51 GLN H 1 52 LEU H 4.000 . 5.000 2.749 2.589 3.386 . 0 0 "[ . 1 . 2]" 1
320 1 51 GLN H 1 52 LEU HA 4.000 . 6.000 5.318 5.071 5.393 . 0 0 "[ . 1 . 2]" 1
321 1 51 GLN HA 1 51 GLN HG2 4.000 . 5.000 2.840 2.535 3.220 . 0 0 "[ . 1 . 2]" 1
322 1 51 GLN HA 1 51 GLN HG3 4.000 . 5.000 3.272 2.545 3.886 . 0 0 "[ . 1 . 2]" 1
323 1 51 GLN HA 1 52 LEU H 3.000 . 3.500 2.932 2.328 3.228 . 0 0 "[ . 1 . 2]" 1
324 1 52 LEU H 1 52 LEU MD1 4.000 . 5.000 3.864 3.365 4.334 . 0 0 "[ . 1 . 2]" 1
325 1 52 LEU H 1 52 LEU QD 4.000 . 5.000 3.060 2.226 3.642 . 0 0 "[ . 1 . 2]" 1
326 1 52 LEU H 1 52 LEU MD2 4.000 . 5.000 3.255 2.259 3.916 . 0 0 "[ . 1 . 2]" 1
327 1 52 LEU H 1 52 LEU HG 4.000 . 5.000 3.100 2.341 4.604 . 0 0 "[ . 1 . 2]" 1
328 1 52 LEU H 1 53 THR H 4.000 . 5.000 4.488 4.366 4.611 . 0 0 "[ . 1 . 2]" 1
329 1 52 LEU HA 1 52 LEU MD1 4.000 . 5.000 3.471 2.032 3.963 . 0 0 "[ . 1 . 2]" 1
330 1 52 LEU HA 1 52 LEU QD 3.000 . 3.500 2.100 1.998 2.230 . 0 0 "[ . 1 . 2]" 1
331 1 52 LEU HA 1 52 LEU MD2 4.000 . 5.000 2.373 2.039 3.442 . 0 0 "[ . 1 . 2]" 1
332 1 52 LEU QB 1 53 THR H 3.000 . 3.500 2.174 1.801 3.031 . 0 0 "[ . 1 . 2]" 1
333 1 52 LEU QB 1 63 VAL HB 4.000 . 6.000 4.180 3.755 4.474 . 0 0 "[ . 1 . 2]" 1
334 1 52 LEU QB 1 63 VAL QG 3.000 . 3.500 1.993 1.829 2.132 . 0 0 "[ . 1 . 2]" 1
335 1 52 LEU HB2 1 53 THR H 4.000 . 5.000 3.343 2.921 4.195 . 0 0 "[ . 1 . 2]" 1
336 1 52 LEU HB3 1 53 THR H 4.000 . 5.000 2.204 1.812 3.110 . 0 0 "[ . 1 . 2]" 1
337 1 52 LEU QD 1 53 THR H 4.000 . 5.000 3.396 3.151 3.654 . 0 0 "[ . 1 . 2]" 1
338 1 52 LEU QD 1 64 LYS HA 4.000 . 5.000 3.184 1.933 4.682 . 0 0 "[ . 1 . 2]" 1
339 1 52 LEU MD1 1 53 THR H 4.000 . 5.000 4.037 3.345 4.592 . 0 0 "[ . 1 . 2]" 1
340 1 52 LEU MD2 1 53 THR H 4.000 . 5.000 3.872 3.299 4.847 . 0 0 "[ . 1 . 2]" 1
341 1 52 LEU HG 1 53 THR H 4.000 . 5.000 4.767 4.143 5.106 0.106 6 0 "[ . 1 . 2]" 1
342 1 52 LEU HG 1 63 VAL QG 4.000 . 5.000 3.705 2.550 4.186 . 0 0 "[ . 1 . 2]" 1
343 1 53 THR H 1 53 THR HB 4.000 . 5.000 3.112 2.531 3.838 . 0 0 "[ . 1 . 2]" 1
344 1 53 THR H 1 53 THR MG 4.000 . 5.000 3.424 2.340 4.018 . 0 0 "[ . 1 . 2]" 1
345 1 53 THR H 1 63 VAL HA 4.000 . 5.000 4.472 3.975 4.937 . 0 0 "[ . 1 . 2]" 1
346 1 53 THR H 1 63 VAL HB 4.000 . 6.000 5.956 5.123 6.192 0.192 18 0 "[ . 1 . 2]" 1
347 1 53 THR H 1 63 VAL QG 4.000 . 5.000 3.365 2.517 3.755 . 0 0 "[ . 1 . 2]" 1
348 1 53 THR H 1 64 LYS H 4.000 . 5.000 3.291 2.615 3.985 . 0 0 "[ . 1 . 2]" 1
349 1 53 THR H 1 64 LYS HA 4.000 . 5.000 3.827 2.236 5.108 0.108 3 0 "[ . 1 . 2]" 1
350 1 53 THR HA 1 54 VAL H 3.000 . 3.500 2.214 2.122 2.449 . 0 0 "[ . 1 . 2]" 1
351 1 53 THR HB 1 54 VAL H 4.000 . 5.000 3.815 2.449 4.477 . 0 0 "[ . 1 . 2]" 1
352 1 53 THR MG 1 54 VAL H 4.000 . 5.000 3.290 2.451 4.024 . 0 0 "[ . 1 . 2]" 1
353 1 54 VAL H 1 54 VAL HB 4.000 . 5.000 2.928 2.444 3.789 . 0 0 "[ . 1 . 2]" 1
354 1 54 VAL H 1 54 VAL QG 4.000 . 5.000 2.083 1.875 2.524 . 0 0 "[ . 1 . 2]" 1
355 1 54 VAL HA 1 55 HIS H 3.000 . 3.500 2.183 2.108 2.273 . 0 0 "[ . 1 . 2]" 1
356 1 54 VAL HA 1 63 VAL HA 4.000 . 5.000 2.449 1.957 3.356 . 0 0 "[ . 1 . 2]" 1
357 1 54 VAL HA 1 63 VAL QG 4.000 . 5.000 2.694 1.997 4.099 . 0 0 "[ . 1 . 2]" 1
358 1 54 VAL HA 1 64 LYS H 4.000 . 5.000 3.730 2.655 4.501 . 0 0 "[ . 1 . 2]" 1
359 1 54 VAL QG 1 55 HIS H 4.000 . 5.000 3.190 2.510 3.789 . 0 0 "[ . 1 . 2]" 1
360 1 55 HIS H 1 55 HIS HD2 4.000 . 6.000 4.683 2.708 5.605 . 0 0 "[ . 1 . 2]" 1
361 1 55 HIS H 1 56 VAL HA 4.000 . 5.000 4.812 4.494 5.117 0.117 9 0 "[ . 1 . 2]" 1
362 1 55 HIS H 1 61 ILE MG 4.000 . 5.000 3.499 2.816 4.266 . 0 0 "[ . 1 . 2]" 1
363 1 55 HIS H 1 62 HIS H 4.000 . 5.000 3.838 3.085 4.347 . 0 0 "[ . 1 . 2]" 1
364 1 55 HIS H 1 62 HIS QB 4.000 . 6.000 4.423 3.806 4.971 . 0 0 "[ . 1 . 2]" 1
365 1 55 HIS H 1 62 HIS HD2 4.000 . 6.000 4.801 3.280 5.648 . 0 0 "[ . 1 . 2]" 1
366 1 55 HIS H 1 63 VAL H 4.000 . 6.000 4.751 4.310 5.248 . 0 0 "[ . 1 . 2]" 1
367 1 55 HIS H 1 63 VAL HA 4.000 . 5.000 3.039 2.468 3.993 . 0 0 "[ . 1 . 2]" 1
368 1 55 HIS H 1 63 VAL QG 4.000 . 6.000 3.785 3.084 4.902 . 0 0 "[ . 1 . 2]" 1
369 1 55 HIS HB2 1 62 HIS HD2 4.000 . 6.000 4.249 2.858 6.102 0.102 3 0 "[ . 1 . 2]" 1
370 1 55 HIS HB3 1 62 HIS HD2 4.000 . 6.000 4.047 2.011 5.994 . 0 0 "[ . 1 . 2]" 1
371 1 56 VAL H 1 56 VAL QG 4.000 . 5.000 2.062 1.890 2.351 . 0 0 "[ . 1 . 2]" 1
372 1 56 VAL HA 1 57 HIS H 3.000 . 3.500 2.167 2.126 2.226 . 0 0 "[ . 1 . 2]" 1
373 1 56 VAL HA 1 57 HIS QB 4.000 . 5.000 4.238 4.073 4.696 . 0 0 "[ . 1 . 2]" 1
374 1 56 VAL HA 1 61 ILE HA 4.000 . 5.000 2.241 1.996 2.631 . 0 0 "[ . 1 . 2]" 1
375 1 56 VAL HA 1 61 ILE QG 4.000 . 5.000 2.665 2.030 3.198 . 0 0 "[ . 1 . 2]" 1
376 1 56 VAL HA 1 61 ILE MG 4.000 . 5.000 2.907 2.399 3.699 . 0 0 "[ . 1 . 2]" 1
377 1 56 VAL HA 1 62 HIS H 4.000 . 5.000 3.501 2.889 4.030 . 0 0 "[ . 1 . 2]" 1
378 1 56 VAL QG 1 57 HIS H 4.000 . 5.000 3.261 2.731 3.743 . 0 0 "[ . 1 . 2]" 1
379 1 56 VAL QG 1 61 ILE MG 3.000 . 3.500 2.399 1.786 3.378 0.014 3 0 "[ . 1 . 2]" 1
380 1 56 VAL QG 1 62 HIS H 4.000 . 6.000 4.506 3.977 5.187 . 0 0 "[ . 1 . 2]" 1
381 1 57 HIS H 1 57 HIS HB2 4.000 . 5.000 3.114 2.569 3.822 . 0 0 "[ . 1 . 2]" 1
382 1 57 HIS H 1 57 HIS HB3 4.000 . 5.000 2.860 2.530 3.818 . 0 0 "[ . 1 . 2]" 1
383 1 57 HIS H 1 61 ILE QG 4.000 . 5.000 3.760 3.097 4.702 . 0 0 "[ . 1 . 2]" 1
384 1 60 THR H 1 60 THR HB 3.000 . 3.500 2.600 2.484 2.755 . 0 0 "[ . 1 . 2]" 1
385 1 60 THR H 1 60 THR MG 4.000 . 5.000 3.858 3.804 3.955 . 0 0 "[ . 1 . 2]" 1
386 1 60 THR HA 1 61 ILE H 3.000 . 3.500 2.205 2.126 2.292 . 0 0 "[ . 1 . 2]" 1
387 1 60 THR HB 1 61 ILE H 4.000 . 5.000 4.418 4.115 4.538 . 0 0 "[ . 1 . 2]" 1
388 1 60 THR MG 1 61 ILE H 4.000 . 5.000 3.313 2.591 3.647 . 0 0 "[ . 1 . 2]" 1
389 1 61 ILE H 1 61 ILE HB 4.000 . 5.000 2.547 2.432 2.623 . 0 0 "[ . 1 . 2]" 1
390 1 61 ILE H 1 61 ILE QG 4.000 . 5.000 2.471 2.173 2.709 . 0 0 "[ . 1 . 2]" 1
391 1 61 ILE HA 1 61 ILE MD 4.000 . 5.000 3.892 3.821 3.969 . 0 0 "[ . 1 . 2]" 1
392 1 61 ILE HA 1 62 HIS H 3.000 . 3.500 2.228 2.143 2.339 . 0 0 "[ . 1 . 2]" 1
393 1 61 ILE QG 1 61 ILE MG 3.000 . 3.500 2.427 2.371 2.488 . 0 0 "[ . 1 . 2]" 1
394 1 61 ILE QG 1 62 HIS H 4.000 . 6.000 4.385 4.231 4.520 . 0 0 "[ . 1 . 2]" 1
395 1 61 ILE MG 1 62 HIS H 4.000 . 5.000 3.124 2.515 3.465 . 0 0 "[ . 1 . 2]" 1
396 1 62 HIS H 1 62 HIS QB 3.000 . 3.500 2.540 2.175 3.221 . 0 0 "[ . 1 . 2]" 1
397 1 62 HIS H 1 63 VAL QG 4.000 . 6.000 4.641 3.961 5.665 . 0 0 "[ . 1 . 2]" 1
398 1 62 HIS HA 1 63 VAL H 3.000 . 3.500 2.163 2.071 2.256 . 0 0 "[ . 1 . 2]" 1
399 1 62 HIS HA 1 63 VAL HB 4.000 . 6.000 4.709 4.533 4.893 . 0 0 "[ . 1 . 2]" 1
400 1 62 HIS HA 1 63 VAL QG 4.000 . 5.000 3.623 3.306 3.876 . 0 0 "[ . 1 . 2]" 1
401 1 62 HIS QB 1 63 VAL H 4.000 . 5.000 3.738 3.059 4.053 . 0 0 "[ . 1 . 2]" 1
402 1 62 HIS HB2 1 63 VAL H 4.000 . 5.000 4.155 3.174 4.606 . 0 0 "[ . 1 . 2]" 1
403 1 62 HIS HB3 1 63 VAL H 4.000 . 5.000 4.300 3.984 4.505 . 0 0 "[ . 1 . 2]" 1
404 1 62 HIS HD2 1 63 VAL H 4.000 . 5.000 4.559 3.138 5.121 0.121 5 0 "[ . 1 . 2]" 1
405 1 62 HIS HD2 1 64 LYS H 4.000 . 5.000 3.957 2.645 5.079 0.079 4 0 "[ . 1 . 2]" 1
406 1 63 VAL H 1 63 VAL HB 4.000 . 5.000 2.603 2.460 2.739 . 0 0 "[ . 1 . 2]" 1
407 1 63 VAL H 1 63 VAL MG1 4.000 . 5.000 3.757 2.118 3.913 . 0 0 "[ . 1 . 2]" 1
408 1 63 VAL H 1 63 VAL QG 4.000 . 5.000 2.266 1.961 2.693 . 0 0 "[ . 1 . 2]" 1
409 1 63 VAL H 1 63 VAL MG2 4.000 . 5.000 2.371 1.967 3.857 . 0 0 "[ . 1 . 2]" 1
410 1 63 VAL HA 1 64 LYS H 3.000 . 3.500 2.205 2.128 2.288 . 0 0 "[ . 1 . 2]" 1
411 1 63 VAL QG 1 64 LYS H 4.000 . 5.000 3.046 2.243 3.510 . 0 0 "[ . 1 . 2]" 1
412 1 63 VAL MG1 1 64 LYS H 4.000 . 5.000 3.208 2.275 3.710 . 0 0 "[ . 1 . 2]" 1
413 1 63 VAL MG2 1 64 LYS H 4.000 . 5.000 4.182 2.262 4.437 . 0 0 "[ . 1 . 2]" 1
414 1 64 LYS H 1 64 LYS HG2 4.000 . 5.000 4.196 2.346 5.062 0.062 19 0 "[ . 1 . 2]" 1
415 1 64 LYS H 1 64 LYS QG 4.000 . 5.000 3.704 2.281 4.327 . 0 0 "[ . 1 . 2]" 1
416 1 64 LYS H 1 64 LYS HG3 4.000 . 5.000 4.339 2.306 5.136 0.136 16 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 4:10:34 PM GMT (wattos1)