NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564856 |
2ma6   |
19329 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ma6
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 776
_Distance_constraint_stats_list.Viol_count 434
_Distance_constraint_stats_list.Viol_total 602.011
_Distance_constraint_stats_list.Viol_max 0.386
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0694
_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 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.115 0.063 2 0 "[ . 1 . 2]"
1 5 THR 0.330 0.068 17 0 "[ . 1 . 2]"
1 6 SER 0.271 0.068 17 0 "[ . 1 . 2]"
1 7 GLU 0.368 0.087 20 0 "[ . 1 . 2]"
1 8 GLU 0.331 0.087 20 0 "[ . 1 . 2]"
1 9 ASP 0.898 0.299 4 0 "[ . 1 . 2]"
1 10 LEU 3.598 0.299 4 0 "[ . 1 . 2]"
1 11 CYS 1.548 0.130 16 0 "[ . 1 . 2]"
1 12 PRO 0.239 0.115 6 0 "[ . 1 . 2]"
1 13 ILE 1.432 0.105 2 0 "[ . 1 . 2]"
1 14 CYS 2.048 0.210 15 0 "[ . 1 . 2]"
1 15 TYR 0.893 0.115 6 0 "[ . 1 . 2]"
1 16 ALA 2.188 0.210 15 0 "[ . 1 . 2]"
1 17 HIS 1.620 0.130 16 0 "[ . 1 . 2]"
1 18 PRO 1.767 0.167 16 0 "[ . 1 . 2]"
1 19 ILE 1.107 0.163 2 0 "[ . 1 . 2]"
1 20 SER 0.789 0.138 19 0 "[ . 1 . 2]"
1 21 ALA 0.473 0.138 19 0 "[ . 1 . 2]"
1 22 VAL 3.368 0.195 4 0 "[ . 1 . 2]"
1 23 PHE 0.819 0.182 2 0 "[ . 1 . 2]"
1 24 GLN 5.181 0.386 15 0 "[ . 1 . 2]"
1 25 PRO 4.662 0.386 15 0 "[ . 1 . 2]"
1 26 CYS 0.621 0.219 2 0 "[ . 1 . 2]"
1 27 GLY 0.486 0.100 6 0 "[ . 1 . 2]"
1 28 HIS 0.110 0.050 20 0 "[ . 1 . 2]"
1 29 LYS 2.790 0.225 12 0 "[ . 1 . 2]"
1 30 SER 0.636 0.129 2 0 "[ . 1 . 2]"
1 31 CYS 0.007 0.007 9 0 "[ . 1 . 2]"
1 32 LYS 0.898 0.256 9 0 "[ . 1 . 2]"
1 33 ALA 0.666 0.256 9 0 "[ . 1 . 2]"
1 34 CYS 0.047 0.047 5 0 "[ . 1 . 2]"
1 35 ILE 0.652 0.129 2 0 "[ . 1 . 2]"
1 36 ASN 0.400 0.071 17 0 "[ . 1 . 2]"
1 37 GLN 0.561 0.120 20 0 "[ . 1 . 2]"
1 38 HIS 0.043 0.043 16 0 "[ . 1 . 2]"
1 39 LEU 1.142 0.099 19 0 "[ . 1 . 2]"
1 40 MET 0.370 0.120 20 0 "[ . 1 . 2]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.660 0.102 16 0 "[ . 1 . 2]"
1 43 LYS 1.133 0.196 16 0 "[ . 1 . 2]"
1 44 ASP 0.457 0.210 15 0 "[ . 1 . 2]"
1 45 CYS 1.836 0.178 2 0 "[ . 1 . 2]"
1 46 PHE 0.264 0.091 11 0 "[ . 1 . 2]"
1 47 PHE 0.400 0.327 10 0 "[ . 1 . 2]"
1 48 CYS 0.500 0.327 10 0 "[ . 1 . 2]"
1 49 LYS 2.782 0.381 13 0 "[ . 1 . 2]"
1 50 THR 0.802 0.183 1 0 "[ . 1 . 2]"
1 51 THR 0.767 0.210 15 0 "[ . 1 . 2]"
1 52 ILE 1.201 0.182 2 0 "[ . 1 . 2]"
1 53 VAL 0.062 0.062 20 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.136 0.038 17 0 "[ . 1 . 2]"
1 56 GLU 0.556 0.101 9 0 "[ . 1 . 2]"
1 57 ASP 0.215 0.091 4 0 "[ . 1 . 2]"
1 58 TRP 1.056 0.141 13 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.805 0.141 13 0 "[ . 1 . 2]"
1 61 GLY 0.287 0.067 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 MET QB 1 4 PRO QD 1.800 . 5.000 3.543 2.523 3.937 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET HA 1 4 PRO HD3 1.800 . 3.500 2.336 1.883 2.920 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 4 PRO HD2 1.800 . 3.500 2.549 2.084 2.981 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET HA 1 4 PRO QG 1.800 . 5.000 4.012 3.755 4.201 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET HA 1 4 PRO HG3 1.800 . 6.000 4.463 4.030 4.763 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET HA 1 4 PRO HG2 1.800 . 6.000 4.573 4.278 4.891 . 0 0 "[ . 1 . 2]" 1
7 1 4 PRO HA 1 5 THR H 1.800 . 3.500 2.708 2.172 3.563 0.063 2 0 "[ . 1 . 2]" 1
8 1 5 THR H 1 5 THR MG 1.800 . 5.000 3.029 1.955 4.090 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR HA 1 6 SER H 1.800 . 3.500 2.652 2.165 3.568 0.068 17 0 "[ . 1 . 2]" 1
10 1 5 THR HB 1 6 SER H 1.800 . 5.000 3.841 1.985 4.642 . 0 0 "[ . 1 . 2]" 1
11 1 5 THR MG 1 6 SER H 1.800 . 6.000 3.685 2.071 4.378 . 0 0 "[ . 1 . 2]" 1
12 1 5 THR H 1 6 SER H 1.800 . 5.000 3.555 1.774 4.628 0.026 9 0 "[ . 1 . 2]" 1
13 1 6 SER HA 1 7 GLU H 1.800 . 3.500 2.376 2.137 3.556 0.056 12 0 "[ . 1 . 2]" 1
14 1 6 SER HB3 1 7 GLU H 1.800 . 5.000 3.980 2.392 4.532 . 0 0 "[ . 1 . 2]" 1
15 1 6 SER HB2 1 7 GLU H 1.800 . 5.000 4.097 2.486 4.601 . 0 0 "[ . 1 . 2]" 1
16 1 6 SER QB 1 7 GLU H 1.800 . 5.000 3.518 2.360 4.065 . 0 0 "[ . 1 . 2]" 1
17 1 6 SER H 1 7 GLU H 1.800 . 5.000 3.934 2.502 4.659 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLU H 1 7 GLU QB 1.800 . 3.500 2.623 2.260 3.404 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLU H 1 7 GLU QG 1.800 . 5.000 2.874 1.915 4.290 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLU HA 1 8 GLU H 1.800 . 3.500 2.604 2.124 3.587 0.087 20 0 "[ . 1 . 2]" 1
21 1 7 GLU QG 1 8 GLU H 1.800 . 5.000 3.847 1.759 4.502 0.041 20 0 "[ . 1 . 2]" 1
22 1 7 GLU H 1 8 GLU H 1.800 . 5.000 3.978 2.594 4.677 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU HA 1 10 LEU MD1 1.800 . 6.000 4.523 2.302 6.063 0.063 2 0 "[ . 1 . 2]" 1
24 1 8 GLU H 1 8 GLU QG 1.800 . 5.000 3.213 2.033 4.561 . 0 0 "[ . 1 . 2]" 1
25 1 8 GLU HA 1 9 ASP H 1.800 . 3.500 2.747 2.374 3.307 . 0 0 "[ . 1 . 2]" 1
26 1 8 GLU HB3 1 9 ASP H 1.800 . 5.000 3.399 1.843 4.662 . 0 0 "[ . 1 . 2]" 1
27 1 8 GLU HB2 1 9 ASP H 1.800 . 5.000 3.588 1.968 4.642 . 0 0 "[ . 1 . 2]" 1
28 1 8 GLU HA 1 10 LEU MD1 1.800 . 6.000 4.689 3.269 5.806 . 0 0 "[ . 1 . 2]" 1
29 1 8 GLU HA 1 10 LEU HG 1.800 . 5.000 3.939 2.322 5.082 0.082 18 0 "[ . 1 . 2]" 1
30 1 9 ASP H 1 9 ASP QB 1.800 . 3.500 2.769 2.275 3.458 . 0 0 "[ . 1 . 2]" 1
31 1 9 ASP HA 1 10 LEU H 1.800 . 3.500 2.709 2.252 3.282 . 0 0 "[ . 1 . 2]" 1
32 1 9 ASP HB3 1 10 LEU H 1.800 . 5.000 4.456 4.163 4.700 . 0 0 "[ . 1 . 2]" 1
33 1 9 ASP HB2 1 10 LEU H 1.800 . 5.000 4.330 3.601 4.637 . 0 0 "[ . 1 . 2]" 1
34 1 9 ASP QB 1 10 LEU H 1.800 . 5.000 3.896 3.450 4.122 . 0 0 "[ . 1 . 2]" 1
35 1 9 ASP H 1 10 LEU H 1.800 . 3.500 3.073 2.462 3.799 0.299 4 0 "[ . 1 . 2]" 1
36 1 9 ASP HA 1 19 ILE MD 1.800 . 5.000 3.710 3.076 4.533 . 0 0 "[ . 1 . 2]" 1
37 1 9 ASP HB3 1 19 ILE MD 1.800 . 5.000 3.187 1.818 4.667 . 0 0 "[ . 1 . 2]" 1
38 1 9 ASP HB2 1 19 ILE MD 1.800 . 5.000 4.081 2.422 5.163 0.163 2 0 "[ . 1 . 2]" 1
39 1 9 ASP QB 1 19 ILE MD 1.800 . 5.000 2.899 1.809 3.982 . 0 0 "[ . 1 . 2]" 1
40 1 9 ASP QB 1 19 ILE H 1.800 . 6.000 3.971 2.554 6.034 0.034 13 0 "[ . 1 . 2]" 1
41 1 10 LEU H 1 10 LEU QB 1.800 . 3.500 2.434 2.330 2.522 . 0 0 "[ . 1 . 2]" 1
42 1 10 LEU HA 1 10 LEU MD1 1.800 . 5.000 3.910 3.834 3.967 . 0 0 "[ . 1 . 2]" 1
43 1 10 LEU QB 1 10 LEU MD1 1.800 . 3.500 2.157 2.131 2.182 . 0 0 "[ . 1 . 2]" 1
44 1 10 LEU H 1 10 LEU MD1 1.800 . 5.000 3.714 3.490 3.882 . 0 0 "[ . 1 . 2]" 1
45 1 10 LEU HA 1 10 LEU MD2 1.800 . 3.500 2.081 1.974 2.197 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU QB 1 10 LEU MD2 1.800 . 3.500 2.401 2.338 2.470 . 0 0 "[ . 1 . 2]" 1
47 1 10 LEU H 1 10 LEU MD2 1.800 . 5.000 3.384 2.954 3.740 . 0 0 "[ . 1 . 2]" 1
48 1 10 LEU H 1 10 LEU HG 1.800 . 5.000 2.411 2.062 2.810 . 0 0 "[ . 1 . 2]" 1
49 1 10 LEU MD2 1 11 CYS HA 1.800 . 6.000 5.725 5.594 5.881 . 0 0 "[ . 1 . 2]" 1
50 1 10 LEU HA 1 11 CYS H 1.800 . 3.500 2.237 2.101 2.535 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU QB 1 11 CYS H 1.800 . 5.000 2.843 2.289 3.268 . 0 0 "[ . 1 . 2]" 1
52 1 10 LEU MD1 1 11 CYS H 1.800 . 5.000 4.825 4.442 5.080 0.080 1 0 "[ . 1 . 2]" 1
53 1 10 LEU MD2 1 11 CYS H 1.800 . 5.000 3.525 3.344 3.749 . 0 0 "[ . 1 . 2]" 1
54 1 10 LEU QB 1 15 TYR HA 1.800 . 5.000 2.346 1.814 2.958 . 0 0 "[ . 1 . 2]" 1
55 1 10 LEU MD1 1 15 TYR HA 1.800 . 5.000 3.216 2.707 3.809 . 0 0 "[ . 1 . 2]" 1
56 1 10 LEU MD2 1 15 TYR HA 1.800 . 5.000 4.057 3.431 4.907 . 0 0 "[ . 1 . 2]" 1
57 1 10 LEU HG 1 15 TYR HA 1.800 . 6.000 5.141 4.634 5.778 . 0 0 "[ . 1 . 2]" 1
58 1 10 LEU MD1 1 15 TYR QB 1.800 . 5.000 3.402 2.461 4.581 . 0 0 "[ . 1 . 2]" 1
59 1 10 LEU QB 1 15 TYR QD 1.800 . 5.000 3.480 2.513 4.520 . 0 0 "[ . 1 . 2]" 1
60 1 10 LEU MD2 1 16 ALA HA 1.800 . 5.000 4.255 3.656 5.149 0.149 13 0 "[ . 1 . 2]" 1
61 1 10 LEU MD1 1 16 ALA H 1.800 . 5.000 4.813 3.992 5.035 0.035 12 0 "[ . 1 . 2]" 1
62 1 10 LEU MD1 1 17 HIS H 1.800 . 5.000 4.817 3.788 5.110 0.110 8 0 "[ . 1 . 2]" 1
63 1 10 LEU MD2 1 17 HIS H 1.800 . 5.000 3.862 3.154 4.354 . 0 0 "[ . 1 . 2]" 1
64 1 10 LEU HA 1 18 PRO HA 1.800 . 3.500 1.742 1.633 2.206 0.167 16 0 "[ . 1 . 2]" 1
65 1 10 LEU MD2 1 18 PRO HA 1.800 . 5.000 2.432 2.115 2.703 . 0 0 "[ . 1 . 2]" 1
66 1 10 LEU MD2 1 18 PRO QB 1.800 . 5.000 2.518 1.956 3.142 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU MD2 1 18 PRO HB3 1.800 . 5.000 2.553 1.967 3.207 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU MD2 1 18 PRO HB2 1.800 . 5.000 3.886 3.430 4.495 . 0 0 "[ . 1 . 2]" 1
69 1 10 LEU HA 1 19 ILE QG 1.800 . 5.000 3.744 3.014 4.406 . 0 0 "[ . 1 . 2]" 1
70 1 10 LEU HA 1 19 ILE H 1.800 . 5.000 3.578 2.809 4.137 . 0 0 "[ . 1 . 2]" 1
71 1 11 CYS H 1 11 CYS HB3 1.800 . 3.500 2.515 2.341 2.605 . 0 0 "[ . 1 . 2]" 1
72 1 11 CYS H 1 11 CYS HB2 1.800 . 3.500 2.535 2.464 2.625 . 0 0 "[ . 1 . 2]" 1
73 1 11 CYS HA 1 12 PRO HD3 1.800 . 3.500 2.444 1.971 2.675 . 0 0 "[ . 1 . 2]" 1
74 1 11 CYS HA 1 12 PRO HD2 1.800 . 3.500 2.297 2.074 2.765 . 0 0 "[ . 1 . 2]" 1
75 1 11 CYS HA 1 13 ILE H 1.800 . 5.000 3.877 3.652 4.068 . 0 0 "[ . 1 . 2]" 1
76 1 11 CYS QB 1 14 CYS H 1.800 . 5.000 2.970 2.610 3.756 . 0 0 "[ . 1 . 2]" 1
77 1 11 CYS QB 1 15 TYR HA 1.800 . 5.000 4.252 3.934 4.733 . 0 0 "[ . 1 . 2]" 1
78 1 11 CYS H 1 15 TYR HA 1.800 . 5.000 4.112 3.624 4.903 . 0 0 "[ . 1 . 2]" 1
79 1 11 CYS QB 1 15 TYR H 1.800 . 5.000 2.846 2.444 3.633 . 0 0 "[ . 1 . 2]" 1
80 1 11 CYS QB 1 16 ALA H 1.800 . 5.000 4.914 3.921 5.105 0.105 8 0 "[ . 1 . 2]" 1
81 1 11 CYS HB3 1 17 HIS H 1.800 . 5.000 3.920 3.744 4.082 . 0 0 "[ . 1 . 2]" 1
82 1 11 CYS HB2 1 17 HIS H 1.800 . 5.000 5.035 4.795 5.130 0.130 16 0 "[ . 1 . 2]" 1
83 1 11 CYS QB 1 17 HIS H 1.800 . 5.000 3.789 3.648 3.931 . 0 0 "[ . 1 . 2]" 1
84 1 11 CYS H 1 17 HIS H 1.800 . 5.000 4.282 3.873 4.614 . 0 0 "[ . 1 . 2]" 1
85 1 11 CYS H 1 18 PRO HA 1.800 . 5.000 2.475 1.986 3.161 . 0 0 "[ . 1 . 2]" 1
86 1 11 CYS HA 1 19 ILE MD 1.800 . 5.000 3.664 2.930 4.892 . 0 0 "[ . 1 . 2]" 1
87 1 11 CYS HA 1 19 ILE HG13 1.800 . 5.000 3.139 2.562 4.241 . 0 0 "[ . 1 . 2]" 1
88 1 11 CYS HA 1 19 ILE HG12 1.800 . 5.000 2.812 2.136 3.850 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS HA 1 19 ILE MG 1.800 . 6.000 4.670 4.098 5.311 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS HA 1 30 SER HA 1.800 . 5.000 3.087 2.540 3.629 . 0 0 "[ . 1 . 2]" 1
91 1 11 CYS QB 1 31 CYS QB 1.800 . 3.500 2.424 2.017 2.791 . 0 0 "[ . 1 . 2]" 1
92 1 11 CYS HA 1 31 CYS H 1.800 . 5.000 4.103 3.510 4.938 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS QB 1 31 CYS H 1.800 . 5.000 2.855 2.466 3.827 . 0 0 "[ . 1 . 2]" 1
94 1 12 PRO QB 1 13 ILE HA 1.800 . 6.000 4.224 3.951 4.460 . 0 0 "[ . 1 . 2]" 1
95 1 12 PRO QG 1 13 ILE MD 1.800 . 5.000 3.486 1.896 4.167 . 0 0 "[ . 1 . 2]" 1
96 1 12 PRO QD 1 13 ILE QG 1.800 . 5.000 3.904 3.146 4.995 . 0 0 "[ . 1 . 2]" 1
97 1 12 PRO QD 1 13 ILE H 1.800 . 5.000 2.934 2.658 3.113 . 0 0 "[ . 1 . 2]" 1
98 1 12 PRO HA 1 15 TYR QE 1.800 . 5.000 3.811 2.721 5.115 0.115 6 0 "[ . 1 . 2]" 1
99 1 12 PRO HA 1 15 TYR H 1.800 . 5.000 4.404 3.598 4.804 . 0 0 "[ . 1 . 2]" 1
100 1 12 PRO QD 1 19 ILE MD 1.800 . 5.000 3.126 2.154 4.740 . 0 0 "[ . 1 . 2]" 1
101 1 12 PRO QD 1 19 ILE QG 1.800 . 5.000 3.139 2.695 4.064 . 0 0 "[ . 1 . 2]" 1
102 1 12 PRO QD 1 30 SER HA 1.800 . 5.000 2.904 2.117 4.209 . 0 0 "[ . 1 . 2]" 1
103 1 12 PRO QB 1 47 PHE QE 1.800 . 5.000 3.354 2.000 4.616 . 0 0 "[ . 1 . 2]" 1
104 1 12 PRO HG3 1 47 PHE QE 1.800 . 5.000 3.781 2.847 4.702 . 0 0 "[ . 1 . 2]" 1
105 1 12 PRO HG2 1 47 PHE QE 1.800 . 5.000 2.896 2.062 3.653 . 0 0 "[ . 1 . 2]" 1
106 1 12 PRO QG 1 47 PHE QE 1.800 . 5.000 2.787 2.053 3.504 . 0 0 "[ . 1 . 2]" 1
107 1 12 PRO QB 1 47 PHE HZ 1.800 . 5.000 3.298 2.133 4.640 . 0 0 "[ . 1 . 2]" 1
108 1 12 PRO QD 1 47 PHE HZ 1.800 . 6.000 3.791 2.135 5.106 . 0 0 "[ . 1 . 2]" 1
109 1 12 PRO QG 1 47 PHE HZ 1.800 . 5.000 2.571 1.986 3.165 . 0 0 "[ . 1 . 2]" 1
110 1 13 ILE H 1 13 ILE HB 1.800 . 3.500 2.492 2.431 2.590 . 0 0 "[ . 1 . 2]" 1
111 1 13 ILE HA 1 13 ILE MD 1.800 . 5.000 3.686 3.138 3.949 . 0 0 "[ . 1 . 2]" 1
112 1 13 ILE MD 1 13 ILE MG 1.800 . 3.500 2.469 1.983 3.279 . 0 0 "[ . 1 . 2]" 1
113 1 13 ILE H 1 13 ILE MD 1.800 . 5.000 3.009 1.798 3.751 0.002 19 0 "[ . 1 . 2]" 1
114 1 13 ILE QG 1 13 ILE MG 1.800 . 3.500 2.307 2.137 2.419 . 0 0 "[ . 1 . 2]" 1
115 1 13 ILE H 1 13 ILE QG 1.800 . 3.500 2.547 1.953 3.417 . 0 0 "[ . 1 . 2]" 1
116 1 13 ILE HG13 1 13 ILE MG 1.800 . 5.000 3.046 2.613 3.278 . 0 0 "[ . 1 . 2]" 1
117 1 13 ILE H 1 13 ILE HG13 1.800 . 5.000 2.626 1.968 3.649 . 0 0 "[ . 1 . 2]" 1
118 1 13 ILE HG12 1 13 ILE MG 1.800 . 5.000 2.396 2.256 2.493 . 0 0 "[ . 1 . 2]" 1
119 1 13 ILE H 1 13 ILE HG12 1.800 . 5.000 3.658 3.274 4.120 . 0 0 "[ . 1 . 2]" 1
120 1 13 ILE HA 1 13 ILE MG 1.800 . 3.500 2.485 2.420 2.531 . 0 0 "[ . 1 . 2]" 1
121 1 13 ILE MG 1 14 CYS QB 1.800 . 5.000 4.307 4.033 4.428 . 0 0 "[ . 1 . 2]" 1
122 1 13 ILE MG 1 14 CYS HB3 1.800 . 5.000 4.948 4.612 5.103 0.103 13 0 "[ . 1 . 2]" 1
123 1 13 ILE MG 1 14 CYS HB2 1.800 . 5.000 4.738 4.451 4.899 . 0 0 "[ . 1 . 2]" 1
124 1 13 ILE HB 1 14 CYS H 1.800 . 3.500 2.863 2.514 3.272 . 0 0 "[ . 1 . 2]" 1
125 1 13 ILE MD 1 14 CYS H 1.800 . 5.000 4.483 3.683 5.055 0.055 11 0 "[ . 1 . 2]" 1
126 1 13 ILE QG 1 14 CYS H 1.800 . 5.000 4.263 4.028 4.736 . 0 0 "[ . 1 . 2]" 1
127 1 13 ILE MG 1 14 CYS H 1.800 . 5.000 3.665 3.246 4.043 . 0 0 "[ . 1 . 2]" 1
128 1 13 ILE H 1 14 CYS H 1.800 . 3.500 2.466 2.265 2.666 . 0 0 "[ . 1 . 2]" 1
129 1 13 ILE HB 1 15 TYR H 1.800 . 5.000 5.007 4.841 5.105 0.105 2 0 "[ . 1 . 2]" 1
130 1 13 ILE H 1 15 TYR H 1.800 . 5.000 4.131 3.707 4.389 . 0 0 "[ . 1 . 2]" 1
131 1 13 ILE MD 1 30 SER QB 1.800 . 5.000 2.519 1.999 3.176 . 0 0 "[ . 1 . 2]" 1
132 1 13 ILE MD 1 30 SER HB3 1.800 . 5.000 3.166 2.256 4.068 . 0 0 "[ . 1 . 2]" 1
133 1 13 ILE MD 1 30 SER HB2 1.800 . 5.000 2.673 2.177 3.314 . 0 0 "[ . 1 . 2]" 1
134 1 13 ILE MD 1 34 CYS QB 1.800 . 5.000 2.950 2.372 3.765 . 0 0 "[ . 1 . 2]" 1
135 1 13 ILE MG 1 34 CYS QB 1.800 . 5.000 3.818 3.513 4.142 . 0 0 "[ . 1 . 2]" 1
136 1 13 ILE MD 1 34 CYS HB3 1.800 . 5.000 3.140 2.464 4.171 . 0 0 "[ . 1 . 2]" 1
137 1 13 ILE MG 1 34 CYS HB3 1.800 . 5.000 4.034 3.664 4.435 . 0 0 "[ . 1 . 2]" 1
138 1 13 ILE MD 1 34 CYS HB2 1.800 . 5.000 3.631 3.091 4.286 . 0 0 "[ . 1 . 2]" 1
139 1 13 ILE MG 1 34 CYS HB2 1.800 . 5.000 4.726 4.504 4.967 . 0 0 "[ . 1 . 2]" 1
140 1 13 ILE MD 1 46 PHE HB3 1.800 . 5.000 3.409 2.557 4.077 . 0 0 "[ . 1 . 2]" 1
141 1 13 ILE MD 1 46 PHE HB2 1.800 . 5.000 3.648 2.150 4.408 . 0 0 "[ . 1 . 2]" 1
142 1 13 ILE MD 1 46 PHE QD 1.800 . 5.000 2.968 2.392 3.806 . 0 0 "[ . 1 . 2]" 1
143 1 13 ILE MD 1 46 PHE QE 1.800 . 5.000 3.352 2.724 4.543 . 0 0 "[ . 1 . 2]" 1
144 1 13 ILE MG 1 46 PHE QE 1.800 . 5.000 3.988 3.332 4.998 . 0 0 "[ . 1 . 2]" 1
145 1 13 ILE MD 1 46 PHE HZ 1.800 . 6.000 4.336 3.469 5.851 . 0 0 "[ . 1 . 2]" 1
146 1 13 ILE MG 1 46 PHE HZ 1.800 . 6.000 5.310 4.758 6.056 0.056 5 0 "[ . 1 . 2]" 1
147 1 13 ILE MD 1 47 PHE QE 1.800 . 5.000 2.976 2.381 3.409 . 0 0 "[ . 1 . 2]" 1
148 1 13 ILE QG 1 47 PHE QE 1.800 . 5.000 3.286 2.417 4.351 . 0 0 "[ . 1 . 2]" 1
149 1 13 ILE MD 1 47 PHE HZ 1.800 . 5.000 2.660 2.110 3.275 . 0 0 "[ . 1 . 2]" 1
150 1 13 ILE HG13 1 47 PHE HZ 1.800 . 5.000 2.952 2.001 4.883 . 0 0 "[ . 1 . 2]" 1
151 1 13 ILE HG12 1 47 PHE HZ 1.800 . 5.000 3.550 2.115 5.046 0.046 16 0 "[ . 1 . 2]" 1
152 1 13 ILE QG 1 47 PHE HZ 1.800 . 5.000 2.751 1.975 4.418 . 0 0 "[ . 1 . 2]" 1
153 1 14 CYS H 1 15 TYR H 1.800 . 3.500 2.229 1.925 2.530 . 0 0 "[ . 1 . 2]" 1
154 1 14 CYS QB 1 16 ALA MB 1.800 . 3.500 3.405 2.763 3.710 0.210 15 0 "[ . 1 . 2]" 1
155 1 14 CYS QB 1 16 ALA H 1.800 . 5.000 3.010 2.532 3.470 . 0 0 "[ . 1 . 2]" 1
156 1 14 CYS H 1 16 ALA H 1.800 . 5.000 4.964 4.371 5.111 0.111 14 0 "[ . 1 . 2]" 1
157 1 15 TYR HA 1 15 TYR QD 1.800 . 5.000 2.822 2.443 3.151 . 0 0 "[ . 1 . 2]" 1
158 1 15 TYR H 1 15 TYR QD 1.800 . 5.000 3.767 2.964 4.323 . 0 0 "[ . 1 . 2]" 1
159 1 15 TYR H 1 16 ALA H 1.800 . 5.000 3.296 2.394 3.656 . 0 0 "[ . 1 . 2]" 1
160 1 15 TYR H 1 17 HIS H 1.800 . 5.000 3.815 3.407 4.687 . 0 0 "[ . 1 . 2]" 1
161 1 16 ALA H 1 16 ALA MB 1.800 . 3.500 2.254 2.207 2.371 . 0 0 "[ . 1 . 2]" 1
162 1 16 ALA MB 1 17 HIS HA 1.800 . 5.000 4.279 4.026 4.453 . 0 0 "[ . 1 . 2]" 1
163 1 16 ALA MB 1 17 HIS HD2 1.800 . 5.000 3.182 2.052 5.075 0.075 9 0 "[ . 1 . 2]" 1
164 1 16 ALA MB 1 17 HIS H 1.800 . 5.000 2.927 2.459 3.356 . 0 0 "[ . 1 . 2]" 1
165 1 16 ALA H 1 17 HIS H 1.800 . 3.500 2.665 2.232 2.884 . 0 0 "[ . 1 . 2]" 1
166 1 17 HIS H 1 17 HIS QB 1.800 . 3.500 2.624 2.439 2.825 . 0 0 "[ . 1 . 2]" 1
167 1 17 HIS HA 1 17 HIS HD2 1.800 . 5.000 3.327 2.345 4.412 . 0 0 "[ . 1 . 2]" 1
168 1 17 HIS HA 1 18 PRO QD 1.800 . 3.500 2.150 1.897 2.241 . 0 0 "[ . 1 . 2]" 1
169 1 17 HIS QB 1 18 PRO QD 1.800 . 3.500 2.301 2.089 2.797 . 0 0 "[ . 1 . 2]" 1
170 1 17 HIS HA 1 18 PRO HD3 1.800 . 3.500 2.272 1.912 2.421 . 0 0 "[ . 1 . 2]" 1
171 1 17 HIS HA 1 18 PRO HD2 1.800 . 3.500 2.711 2.480 3.166 . 0 0 "[ . 1 . 2]" 1
172 1 17 HIS QB 1 31 CYS QB 1.800 . 5.000 3.407 2.819 3.833 . 0 0 "[ . 1 . 2]" 1
173 1 18 PRO HA 1 19 ILE H 1.800 . 3.500 2.622 2.382 2.808 . 0 0 "[ . 1 . 2]" 1
174 1 18 PRO HB3 1 19 ILE H 1.800 . 5.000 3.470 2.607 4.691 . 0 0 "[ . 1 . 2]" 1
175 1 18 PRO HB2 1 19 ILE H 1.800 . 5.000 2.430 1.869 4.439 . 0 0 "[ . 1 . 2]" 1
176 1 19 ILE H 1 19 ILE HB 1.800 . 3.500 2.605 2.361 3.627 0.127 19 0 "[ . 1 . 2]" 1
177 1 19 ILE HA 1 19 ILE MD 1.800 . 5.000 3.908 3.811 3.969 . 0 0 "[ . 1 . 2]" 1
178 1 19 ILE H 1 19 ILE MD 1.800 . 5.000 3.821 3.475 4.434 . 0 0 "[ . 1 . 2]" 1
179 1 19 ILE H 1 19 ILE QG 1.800 . 3.500 2.493 2.171 2.814 . 0 0 "[ . 1 . 2]" 1
180 1 19 ILE H 1 19 ILE HG13 1.800 . 5.000 2.540 2.192 2.932 . 0 0 "[ . 1 . 2]" 1
181 1 19 ILE H 1 19 ILE HG12 1.800 . 5.000 3.698 3.502 3.969 . 0 0 "[ . 1 . 2]" 1
182 1 19 ILE MG 1 20 SER HA 1.800 . 5.000 3.420 3.136 3.682 . 0 0 "[ . 1 . 2]" 1
183 1 19 ILE HA 1 20 SER H 1.800 . 3.500 2.266 2.156 2.539 . 0 0 "[ . 1 . 2]" 1
184 1 19 ILE HB 1 20 SER H 1.800 . 5.000 4.037 3.664 4.229 . 0 0 "[ . 1 . 2]" 1
185 1 19 ILE MG 1 20 SER H 1.800 . 5.000 2.402 1.904 2.747 . 0 0 "[ . 1 . 2]" 1
186 1 19 ILE HA 1 21 ALA H 1.800 . 5.000 3.752 3.474 4.085 . 0 0 "[ . 1 . 2]" 1
187 1 19 ILE MG 1 21 ALA H 1.800 . 3.500 2.320 2.042 2.741 . 0 0 "[ . 1 . 2]" 1
188 1 19 ILE MG 1 22 VAL HA 1.800 . 5.000 4.251 3.961 4.579 . 0 0 "[ . 1 . 2]" 1
189 1 19 ILE MG 1 29 LYS HA 1.800 . 6.000 3.605 3.333 3.944 . 0 0 "[ . 1 . 2]" 1
190 1 19 ILE MD 1 29 LYS QB 1.800 . 5.000 2.083 1.869 2.796 . 0 0 "[ . 1 . 2]" 1
191 1 19 ILE QG 1 29 LYS QB 1.800 . 5.000 3.231 2.722 3.674 . 0 0 "[ . 1 . 2]" 1
192 1 19 ILE MG 1 29 LYS QB 1.800 . 3.500 1.828 1.724 1.984 0.076 16 0 "[ . 1 . 2]" 1
193 1 19 ILE MD 1 29 LYS HB3 1.800 . 5.000 2.625 1.964 3.267 . 0 0 "[ . 1 . 2]" 1
194 1 19 ILE MD 1 29 LYS HB2 1.800 . 5.000 2.230 1.902 3.039 . 0 0 "[ . 1 . 2]" 1
195 1 19 ILE MD 1 29 LYS QD 1.800 . 3.500 2.802 2.063 3.318 . 0 0 "[ . 1 . 2]" 1
196 1 19 ILE MD 1 29 LYS QE 1.800 . 5.000 4.443 3.175 5.099 0.099 2 0 "[ . 1 . 2]" 1
197 1 19 ILE MG 1 29 LYS QE 1.800 . 5.000 4.208 3.742 4.667 . 0 0 "[ . 1 . 2]" 1
198 1 19 ILE MD 1 29 LYS QG 1.800 . 5.000 3.701 2.403 4.454 . 0 0 "[ . 1 . 2]" 1
199 1 19 ILE MD 1 29 LYS H 1.800 . 6.000 4.342 3.916 5.126 . 0 0 "[ . 1 . 2]" 1
200 1 19 ILE MG 1 29 LYS H 1.800 . 6.000 4.842 4.648 5.023 . 0 0 "[ . 1 . 2]" 1
201 1 19 ILE MD 1 30 SER HA 1.800 . 5.000 3.830 2.906 4.903 . 0 0 "[ . 1 . 2]" 1
202 1 19 ILE QG 1 30 SER HA 1.800 . 5.000 2.611 1.942 3.662 . 0 0 "[ . 1 . 2]" 1
203 1 19 ILE MG 1 30 SER HA 1.800 . 5.000 3.227 2.811 3.820 . 0 0 "[ . 1 . 2]" 1
204 1 19 ILE MG 1 30 SER QB 1.800 . 6.000 4.419 4.143 5.036 . 0 0 "[ . 1 . 2]" 1
205 1 19 ILE HA 1 30 SER H 1.800 . 5.000 4.430 4.096 4.877 . 0 0 "[ . 1 . 2]" 1
206 1 19 ILE MG 1 30 SER H 1.800 . 5.000 2.493 2.173 3.486 . 0 0 "[ . 1 . 2]" 1
207 1 19 ILE HA 1 31 CYS HA 1.800 . 5.000 2.959 2.398 3.737 . 0 0 "[ . 1 . 2]" 1
208 1 19 ILE HA 1 31 CYS H 1.800 . 5.000 3.658 3.039 4.702 . 0 0 "[ . 1 . 2]" 1
209 1 19 ILE MG 1 58 TRP QB 1.800 . 5.000 2.593 2.144 3.291 . 0 0 "[ . 1 . 2]" 1
210 1 19 ILE MG 1 58 TRP HE3 1.800 . 5.000 2.177 1.929 2.484 . 0 0 "[ . 1 . 2]" 1
211 1 19 ILE MD 1 58 TRP HZ2 1.800 . 6.000 5.350 4.858 6.086 0.086 6 0 "[ . 1 . 2]" 1
212 1 19 ILE HB 1 58 TRP HZ3 1.800 . 5.000 2.646 2.173 3.026 . 0 0 "[ . 1 . 2]" 1
213 1 19 ILE MG 1 58 TRP HZ3 1.800 . 5.000 3.393 2.692 3.938 . 0 0 "[ . 1 . 2]" 1
214 1 20 SER H 1 21 ALA MB 1.800 . 5.000 3.693 3.497 3.960 . 0 0 "[ . 1 . 2]" 1
215 1 20 SER H 1 21 ALA H 1.800 . 3.500 1.863 1.662 2.108 0.138 19 0 "[ . 1 . 2]" 1
216 1 20 SER H 1 31 CYS HA 1.800 . 3.500 2.172 1.793 2.656 0.007 9 0 "[ . 1 . 2]" 1
217 1 20 SER H 1 31 CYS HB3 1.800 . 5.000 4.181 3.360 4.864 . 0 0 "[ . 1 . 2]" 1
218 1 20 SER H 1 31 CYS HB2 1.800 . 5.000 4.334 3.834 4.979 . 0 0 "[ . 1 . 2]" 1
219 1 20 SER QB 1 32 LYS QB 1.800 . 6.000 3.205 2.284 4.384 . 0 0 "[ . 1 . 2]" 1
220 1 20 SER QB 1 32 LYS QG 1.800 . 5.000 3.462 1.839 5.064 0.064 9 0 "[ . 1 . 2]" 1
221 1 20 SER HB3 1 32 LYS H 1.800 . 6.000 3.015 1.768 4.105 0.032 19 0 "[ . 1 . 2]" 1
222 1 20 SER HB2 1 32 LYS H 1.800 . 6.000 3.068 1.778 4.926 0.022 4 0 "[ . 1 . 2]" 1
223 1 20 SER QB 1 32 LYS H 1.800 . 5.000 2.345 1.762 3.553 0.038 19 0 "[ . 1 . 2]" 1
224 1 20 SER HA 1 58 TRP QB 1.800 . 5.000 3.754 2.607 4.626 . 0 0 "[ . 1 . 2]" 1
225 1 20 SER HA 1 58 TRP HE3 1.800 . 5.000 3.788 2.446 4.725 . 0 0 "[ . 1 . 2]" 1
226 1 20 SER HA 1 58 TRP H 1.800 . 5.000 3.941 3.259 4.676 . 0 0 "[ . 1 . 2]" 1
227 1 20 SER QB 1 58 TRP H 1.800 . 6.000 4.791 4.271 5.180 . 0 0 "[ . 1 . 2]" 1
228 1 21 ALA H 1 21 ALA MB 1.800 . 3.500 2.689 2.505 2.803 . 0 0 "[ . 1 . 2]" 1
229 1 21 ALA HA 1 22 VAL MG1 1.800 . 5.000 3.652 3.435 3.834 . 0 0 "[ . 1 . 2]" 1
230 1 21 ALA HA 1 22 VAL H 1.800 . 3.500 2.229 2.145 2.468 . 0 0 "[ . 1 . 2]" 1
231 1 21 ALA MB 1 22 VAL H 1.800 . 5.000 2.831 2.253 3.116 . 0 0 "[ . 1 . 2]" 1
232 1 21 ALA MB 1 23 PHE QD 1.800 . 5.000 3.946 3.421 4.395 . 0 0 "[ . 1 . 2]" 1
233 1 21 ALA MB 1 23 PHE QE 1.800 . 5.000 3.140 2.373 3.770 . 0 0 "[ . 1 . 2]" 1
234 1 21 ALA MB 1 23 PHE HZ 1.800 . 5.000 4.150 3.200 5.005 0.005 8 0 "[ . 1 . 2]" 1
235 1 21 ALA MB 1 30 SER H 1.800 . 5.000 3.478 2.993 4.081 . 0 0 "[ . 1 . 2]" 1
236 1 21 ALA H 1 30 SER H 1.800 . 5.000 3.372 3.191 3.572 . 0 0 "[ . 1 . 2]" 1
237 1 21 ALA H 1 31 CYS HA 1.800 . 5.000 3.367 2.618 3.932 . 0 0 "[ . 1 . 2]" 1
238 1 21 ALA MB 1 32 LYS HA 1.800 . 3.500 2.541 2.017 3.059 . 0 0 "[ . 1 . 2]" 1
239 1 21 ALA MB 1 32 LYS QB 1.800 . 5.000 2.898 1.949 4.260 . 0 0 "[ . 1 . 2]" 1
240 1 21 ALA MB 1 32 LYS QE 1.800 . 6.000 4.544 2.573 5.942 . 0 0 "[ . 1 . 2]" 1
241 1 21 ALA MB 1 32 LYS H 1.800 . 5.000 3.444 2.942 4.318 . 0 0 "[ . 1 . 2]" 1
242 1 21 ALA MB 1 35 ILE MG 1.800 . 3.500 2.736 2.150 3.223 . 0 0 "[ . 1 . 2]" 1
243 1 21 ALA MB 1 55 VAL MG1 1.800 . 3.500 2.203 1.804 2.939 . 0 0 "[ . 1 . 2]" 1
244 1 21 ALA MB 1 55 VAL MG2 1.800 . 5.000 4.245 3.743 4.892 . 0 0 "[ . 1 . 2]" 1
245 1 21 ALA HA 1 57 ASP HA 1.800 . 5.000 2.471 1.917 3.314 . 0 0 "[ . 1 . 2]" 1
246 1 21 ALA MB 1 57 ASP HA 1.800 . 5.000 3.422 2.818 4.140 . 0 0 "[ . 1 . 2]" 1
247 1 21 ALA HA 1 58 TRP QB 1.800 . 5.000 3.159 2.775 3.514 . 0 0 "[ . 1 . 2]" 1
248 1 21 ALA H 1 58 TRP QB 1.800 . 5.000 3.257 2.488 3.866 . 0 0 "[ . 1 . 2]" 1
249 1 21 ALA HA 1 58 TRP H 1.800 . 5.000 2.178 1.780 3.021 0.020 7 0 "[ . 1 . 2]" 1
250 1 22 VAL H 1 22 VAL MG1 1.800 . 3.500 2.187 2.014 2.402 . 0 0 "[ . 1 . 2]" 1
251 1 22 VAL H 1 22 VAL MG2 1.800 . 5.000 3.933 3.876 4.010 . 0 0 "[ . 1 . 2]" 1
252 1 22 VAL HA 1 23 PHE H 1.800 . 3.500 2.184 2.104 2.268 . 0 0 "[ . 1 . 2]" 1
253 1 22 VAL HB 1 23 PHE H 1.800 . 5.000 4.122 4.023 4.274 . 0 0 "[ . 1 . 2]" 1
254 1 22 VAL MG1 1 23 PHE H 1.800 . 5.000 3.986 3.728 4.201 . 0 0 "[ . 1 . 2]" 1
255 1 22 VAL MG2 1 23 PHE H 1.800 . 3.500 2.534 2.261 2.902 . 0 0 "[ . 1 . 2]" 1
256 1 22 VAL MG1 1 24 GLN QB 1.800 . 5.000 3.543 2.529 4.830 . 0 0 "[ . 1 . 2]" 1
257 1 22 VAL MG1 1 24 GLN HE21 1.800 . 5.000 3.973 2.008 5.050 0.050 3 0 "[ . 1 . 2]" 1
258 1 22 VAL MG2 1 24 GLN HE21 1.800 . 5.000 4.734 3.351 5.195 0.195 4 0 "[ . 1 . 2]" 1
259 1 22 VAL MG1 1 24 GLN HE22 1.800 . 5.000 4.225 1.708 5.143 0.143 12 0 "[ . 1 . 2]" 1
260 1 22 VAL MG1 1 27 GLY QA 1.800 . 5.000 4.802 4.237 5.100 0.100 6 0 "[ . 1 . 2]" 1
261 1 22 VAL MG2 1 27 GLY QA 1.800 . 5.000 2.596 2.144 2.872 . 0 0 "[ . 1 . 2]" 1
262 1 22 VAL MG2 1 27 GLY H 1.800 . 5.000 3.352 2.953 3.652 . 0 0 "[ . 1 . 2]" 1
263 1 22 VAL MG2 1 28 HIS HA 1.800 . 5.000 4.640 4.061 5.050 0.050 20 0 "[ . 1 . 2]" 1
264 1 22 VAL MG2 1 28 HIS H 1.800 . 5.000 4.235 3.229 4.566 . 0 0 "[ . 1 . 2]" 1
265 1 22 VAL MG2 1 29 LYS HA 1.800 . 5.000 3.668 3.140 4.214 . 0 0 "[ . 1 . 2]" 1
266 1 22 VAL HA 1 29 LYS QB 1.800 . 5.000 3.462 3.139 4.197 . 0 0 "[ . 1 . 2]" 1
267 1 22 VAL MG2 1 29 LYS QB 1.800 . 5.000 4.012 3.779 4.486 . 0 0 "[ . 1 . 2]" 1
268 1 22 VAL HA 1 29 LYS QD 1.800 . 5.000 4.081 2.786 4.748 . 0 0 "[ . 1 . 2]" 1
269 1 22 VAL HB 1 29 LYS QD 1.800 . 5.000 3.266 2.101 4.313 . 0 0 "[ . 1 . 2]" 1
270 1 22 VAL MG2 1 29 LYS QD 1.800 . 3.500 3.467 2.334 3.692 0.192 2 0 "[ . 1 . 2]" 1
271 1 22 VAL MG1 1 29 LYS QE 1.800 . 5.000 3.975 3.591 5.117 0.117 12 0 "[ . 1 . 2]" 1
272 1 22 VAL MG2 1 29 LYS QE 1.800 . 5.000 2.540 2.253 3.560 . 0 0 "[ . 1 . 2]" 1
273 1 22 VAL HA 1 29 LYS QG 1.800 . 5.000 2.416 1.972 4.366 . 0 0 "[ . 1 . 2]" 1
274 1 22 VAL HB 1 29 LYS QG 1.800 . 5.000 2.503 2.130 4.249 . 0 0 "[ . 1 . 2]" 1
275 1 22 VAL MG2 1 29 LYS QG 1.800 . 3.500 2.143 1.896 3.495 . 0 0 "[ . 1 . 2]" 1
276 1 22 VAL HB 1 29 LYS HG3 1.800 . 5.000 3.910 2.372 5.066 0.066 18 0 "[ . 1 . 2]" 1
277 1 22 VAL HB 1 29 LYS HG2 1.800 . 5.000 2.586 2.141 4.564 . 0 0 "[ . 1 . 2]" 1
278 1 22 VAL MG2 1 29 LYS H 1.800 . 6.000 4.777 4.309 5.245 . 0 0 "[ . 1 . 2]" 1
279 1 22 VAL HA 1 30 SER H 1.800 . 5.000 3.743 3.275 4.238 . 0 0 "[ . 1 . 2]" 1
280 1 22 VAL H 1 55 VAL MG1 1.800 . 5.000 3.531 2.658 4.176 . 0 0 "[ . 1 . 2]" 1
281 1 22 VAL HB 1 56 GLU QB 1.800 . 5.000 4.732 4.466 5.040 0.040 13 0 "[ . 1 . 2]" 1
282 1 22 VAL MG1 1 56 GLU QB 1.800 . 3.500 2.101 1.899 2.428 . 0 0 "[ . 1 . 2]" 1
283 1 22 VAL H 1 56 GLU QB 1.800 . 5.000 3.757 3.438 4.093 . 0 0 "[ . 1 . 2]" 1
284 1 22 VAL MG1 1 56 GLU HB3 1.800 . 5.000 3.065 1.912 3.587 . 0 0 "[ . 1 . 2]" 1
285 1 22 VAL MG1 1 56 GLU HB2 1.800 . 5.000 2.321 1.922 3.364 . 0 0 "[ . 1 . 2]" 1
286 1 22 VAL MG1 1 56 GLU QG 1.800 . 5.000 3.506 2.864 4.067 . 0 0 "[ . 1 . 2]" 1
287 1 22 VAL MG1 1 56 GLU H 1.800 . 5.000 2.891 2.492 3.216 . 0 0 "[ . 1 . 2]" 1
288 1 22 VAL H 1 56 GLU H 1.800 . 5.000 3.392 2.927 3.955 . 0 0 "[ . 1 . 2]" 1
289 1 22 VAL H 1 57 ASP HA 1.800 . 5.000 3.830 3.028 4.656 . 0 0 "[ . 1 . 2]" 1
290 1 22 VAL MG1 1 58 TRP HA 1.800 . 5.000 3.315 2.692 4.018 . 0 0 "[ . 1 . 2]" 1
291 1 22 VAL HB 1 58 TRP QB 1.800 . 5.000 2.253 1.836 3.060 . 0 0 "[ . 1 . 2]" 1
292 1 22 VAL MG1 1 58 TRP QB 1.800 . 5.000 2.421 2.086 2.799 . 0 0 "[ . 1 . 2]" 1
293 1 22 VAL MG2 1 58 TRP QB 1.800 . 5.000 3.814 3.532 4.387 . 0 0 "[ . 1 . 2]" 1
294 1 22 VAL H 1 58 TRP QB 1.800 . 5.000 3.064 2.417 3.649 . 0 0 "[ . 1 . 2]" 1
295 1 22 VAL HB 1 58 TRP HD1 1.800 . 5.000 3.272 2.558 3.955 . 0 0 "[ . 1 . 2]" 1
296 1 22 VAL MG1 1 58 TRP HD1 1.800 . 5.000 2.981 2.358 3.872 . 0 0 "[ . 1 . 2]" 1
297 1 22 VAL MG2 1 58 TRP HD1 1.800 . 5.000 3.808 2.976 4.319 . 0 0 "[ . 1 . 2]" 1
298 1 22 VAL HB 1 58 TRP HE3 1.800 . 6.000 5.494 4.984 6.056 0.056 15 0 "[ . 1 . 2]" 1
299 1 22 VAL H 1 58 TRP H 1.800 . 5.000 3.392 2.766 5.013 0.013 18 0 "[ . 1 . 2]" 1
300 1 23 PHE H 1 23 PHE QB 1.800 . 3.500 2.607 2.485 2.709 . 0 0 "[ . 1 . 2]" 1
301 1 23 PHE HA 1 23 PHE QD 1.800 . 3.500 2.267 2.044 2.439 . 0 0 "[ . 1 . 2]" 1
302 1 23 PHE H 1 23 PHE QD 1.800 . 5.000 3.255 2.894 3.484 . 0 0 "[ . 1 . 2]" 1
303 1 23 PHE HA 1 24 GLN H 1.800 . 3.500 2.200 2.132 2.285 . 0 0 "[ . 1 . 2]" 1
304 1 23 PHE HB3 1 24 GLN H 1.800 . 5.000 4.007 3.771 4.104 . 0 0 "[ . 1 . 2]" 1
305 1 23 PHE HB2 1 24 GLN H 1.800 . 5.000 4.427 4.302 4.469 . 0 0 "[ . 1 . 2]" 1
306 1 23 PHE QB 1 24 GLN H 1.800 . 5.000 3.724 3.543 3.795 . 0 0 "[ . 1 . 2]" 1
307 1 23 PHE QD 1 24 GLN H 1.800 . 5.000 4.308 4.043 4.530 . 0 0 "[ . 1 . 2]" 1
308 1 23 PHE QB 1 27 GLY H 1.800 . 5.000 3.662 3.233 4.071 . 0 0 "[ . 1 . 2]" 1
309 1 23 PHE QD 1 28 HIS QB 1.800 . 3.500 2.424 2.039 3.096 . 0 0 "[ . 1 . 2]" 1
310 1 23 PHE QE 1 28 HIS QB 1.800 . 5.000 3.535 2.912 4.533 . 0 0 "[ . 1 . 2]" 1
311 1 23 PHE QB 1 28 HIS H 1.800 . 5.000 3.747 3.249 4.123 . 0 0 "[ . 1 . 2]" 1
312 1 23 PHE QD 1 28 HIS H 1.800 . 6.000 4.440 4.019 5.143 . 0 0 "[ . 1 . 2]" 1
313 1 23 PHE H 1 28 HIS H 1.800 . 6.000 4.431 3.791 4.866 . 0 0 "[ . 1 . 2]" 1
314 1 23 PHE H 1 29 LYS HA 1.800 . 5.000 3.185 2.801 3.779 . 0 0 "[ . 1 . 2]" 1
315 1 23 PHE H 1 29 LYS QG 1.800 . 5.000 3.624 3.161 5.139 0.139 18 0 "[ . 1 . 2]" 1
316 1 23 PHE QE 1 30 SER QB 1.800 . 5.000 3.049 2.594 3.720 . 0 0 "[ . 1 . 2]" 1
317 1 23 PHE HZ 1 30 SER QB 1.800 . 5.000 2.884 1.812 3.972 . 0 0 "[ . 1 . 2]" 1
318 1 23 PHE QD 1 30 SER H 1.800 . 6.000 5.067 4.494 5.709 . 0 0 "[ . 1 . 2]" 1
319 1 23 PHE QE 1 30 SER H 1.800 . 5.000 4.183 3.568 5.000 . 0 0 "[ . 1 . 2]" 1
320 1 23 PHE HZ 1 30 SER H 1.800 . 6.000 4.246 3.033 5.168 . 0 0 "[ . 1 . 2]" 1
321 1 23 PHE QE 1 35 ILE HB 1.800 . 5.000 2.083 1.784 2.495 0.016 18 0 "[ . 1 . 2]" 1
322 1 23 PHE HZ 1 35 ILE HB 1.800 . 5.000 2.772 2.311 3.106 . 0 0 "[ . 1 . 2]" 1
323 1 23 PHE QD 1 35 ILE MD 1.800 . 5.000 3.694 3.325 4.273 . 0 0 "[ . 1 . 2]" 1
324 1 23 PHE QE 1 35 ILE MD 1.800 . 5.000 3.090 2.623 3.843 . 0 0 "[ . 1 . 2]" 1
325 1 23 PHE HZ 1 35 ILE MD 1.800 . 5.000 3.711 3.350 4.239 . 0 0 "[ . 1 . 2]" 1
326 1 23 PHE QD 1 35 ILE QG 1.800 . 6.000 3.405 3.088 3.926 . 0 0 "[ . 1 . 2]" 1
327 1 23 PHE QE 1 35 ILE QG 1.800 . 5.000 2.722 2.249 3.311 . 0 0 "[ . 1 . 2]" 1
328 1 23 PHE HZ 1 35 ILE QG 1.800 . 6.000 4.437 3.989 4.750 . 0 0 "[ . 1 . 2]" 1
329 1 23 PHE QE 1 35 ILE MG 1.800 . 5.000 2.551 2.281 2.892 . 0 0 "[ . 1 . 2]" 1
330 1 23 PHE HZ 1 35 ILE MG 1.800 . 5.000 3.880 3.370 4.405 . 0 0 "[ . 1 . 2]" 1
331 1 23 PHE QD 1 45 CYS QB 1.800 . 6.000 3.887 3.063 4.463 . 0 0 "[ . 1 . 2]" 1
332 1 23 PHE QE 1 46 PHE QD 1.800 . 5.000 2.709 1.795 3.428 0.005 19 0 "[ . 1 . 2]" 1
333 1 23 PHE QE 1 46 PHE H 1.800 . 6.000 5.108 2.421 6.091 0.091 11 0 "[ . 1 . 2]" 1
334 1 23 PHE QB 1 52 ILE HA 1.800 . 5.000 3.904 3.612 4.182 . 0 0 "[ . 1 . 2]" 1
335 1 23 PHE HB3 1 52 ILE MD 1.800 . 5.000 2.424 2.107 2.877 . 0 0 "[ . 1 . 2]" 1
336 1 23 PHE HB2 1 52 ILE MD 1.800 . 5.000 3.682 3.377 3.987 . 0 0 "[ . 1 . 2]" 1
337 1 23 PHE QD 1 52 ILE MD 1.800 . 5.000 2.623 2.383 2.964 . 0 0 "[ . 1 . 2]" 1
338 1 23 PHE QE 1 52 ILE MD 1.800 . 5.000 3.566 3.145 3.932 . 0 0 "[ . 1 . 2]" 1
339 1 23 PHE QB 1 52 ILE QG 1.800 . 5.000 2.764 1.901 4.399 . 0 0 "[ . 1 . 2]" 1
340 1 23 PHE HA 1 52 ILE MG 1.800 . 5.000 2.895 2.343 3.959 . 0 0 "[ . 1 . 2]" 1
341 1 23 PHE HB3 1 52 ILE MG 1.800 . 5.000 2.784 2.253 3.659 . 0 0 "[ . 1 . 2]" 1
342 1 23 PHE HB2 1 52 ILE MG 1.800 . 5.000 4.196 3.673 5.182 0.182 2 0 "[ . 1 . 2]" 1
343 1 23 PHE QB 1 52 ILE MG 1.800 . 5.000 2.745 2.236 3.589 . 0 0 "[ . 1 . 2]" 1
344 1 23 PHE QD 1 52 ILE MG 1.800 . 5.000 3.168 2.521 3.844 . 0 0 "[ . 1 . 2]" 1
345 1 23 PHE HA 1 55 VAL HA 1.800 . 5.000 2.823 2.424 3.223 . 0 0 "[ . 1 . 2]" 1
346 1 23 PHE QD 1 55 VAL HA 1.800 . 5.000 3.330 2.744 3.869 . 0 0 "[ . 1 . 2]" 1
347 1 23 PHE HA 1 55 VAL MG1 1.800 . 5.000 3.573 2.581 4.277 . 0 0 "[ . 1 . 2]" 1
348 1 23 PHE QD 1 55 VAL MG1 1.800 . 3.500 2.513 1.987 3.341 . 0 0 "[ . 1 . 2]" 1
349 1 23 PHE QE 1 55 VAL MG1 1.800 . 5.000 2.742 2.114 3.580 . 0 0 "[ . 1 . 2]" 1
350 1 23 PHE HA 1 55 VAL MG2 1.800 . 5.000 3.251 2.462 4.090 . 0 0 "[ . 1 . 2]" 1
351 1 23 PHE QD 1 55 VAL MG2 1.800 . 3.500 2.449 1.827 3.490 . 0 0 "[ . 1 . 2]" 1
352 1 23 PHE HA 1 56 GLU H 1.800 . 5.000 3.958 3.514 4.570 . 0 0 "[ . 1 . 2]" 1
353 1 24 GLN QB 1 24 GLN HE21 1.800 . 6.000 2.792 1.888 3.849 . 0 0 "[ . 1 . 2]" 1
354 1 24 GLN H 1 24 GLN QG 1.800 . 5.000 3.450 2.542 4.175 . 0 0 "[ . 1 . 2]" 1
355 1 24 GLN H 1 24 GLN HG3 1.800 . 5.000 3.725 2.590 4.639 . 0 0 "[ . 1 . 2]" 1
356 1 24 GLN H 1 24 GLN HG2 1.800 . 5.000 4.271 3.703 4.737 . 0 0 "[ . 1 . 2]" 1
357 1 24 GLN HA 1 25 PRO HA 1.800 . 3.500 2.173 1.963 2.444 . 0 0 "[ . 1 . 2]" 1
358 1 24 GLN QB 1 25 PRO HA 1.800 . 5.000 2.866 2.211 3.525 . 0 0 "[ . 1 . 2]" 1
359 1 24 GLN QG 1 25 PRO HA 1.800 . 5.000 2.334 1.771 2.956 0.029 13 0 "[ . 1 . 2]" 1
360 1 24 GLN QG 1 25 PRO QB 1.800 . 5.000 3.525 2.539 4.567 . 0 0 "[ . 1 . 2]" 1
361 1 24 GLN QG 1 25 PRO QD 1.800 . 5.000 4.590 3.419 5.235 0.235 20 0 "[ . 1 . 2]" 1
362 1 24 GLN QG 1 25 PRO QG 1.800 . 5.000 4.786 3.960 5.386 0.386 15 0 "[ . 1 . 2]" 1
363 1 24 GLN HA 1 26 CYS H 1.800 . 5.000 2.465 1.811 2.988 . 0 0 "[ . 1 . 2]" 1
364 1 24 GLN HA 1 27 GLY H 1.800 . 5.000 3.245 2.599 3.999 . 0 0 "[ . 1 . 2]" 1
365 1 24 GLN H 1 52 ILE MG 1.800 . 5.000 3.455 2.606 4.938 . 0 0 "[ . 1 . 2]" 1
366 1 24 GLN QB 1 54 SER H 1.800 . 6.000 3.684 2.809 4.624 . 0 0 "[ . 1 . 2]" 1
367 1 24 GLN H 1 54 SER H 1.800 . 5.000 3.877 3.427 4.228 . 0 0 "[ . 1 . 2]" 1
368 1 24 GLN H 1 55 VAL HA 1.800 . 5.000 3.140 2.470 3.693 . 0 0 "[ . 1 . 2]" 1
369 1 24 GLN HE21 1 56 GLU QG 1.800 . 5.000 3.645 1.820 5.030 0.030 1 0 "[ . 1 . 2]" 1
370 1 24 GLN HE22 1 56 GLU QG 1.800 . 5.000 3.504 1.925 5.101 0.101 9 0 "[ . 1 . 2]" 1
371 1 25 PRO HD3 1 26 CYS H 1.800 . 5.000 4.190 3.776 5.219 0.219 2 0 "[ . 1 . 2]" 1
372 1 25 PRO HD2 1 26 CYS H 1.800 . 5.000 3.161 2.712 4.467 . 0 0 "[ . 1 . 2]" 1
373 1 25 PRO QD 1 26 CYS H 1.800 . 5.000 3.068 2.655 4.227 . 0 0 "[ . 1 . 2]" 1
374 1 25 PRO QG 1 26 CYS H 1.800 . 5.000 4.069 3.558 4.971 . 0 0 "[ . 1 . 2]" 1
375 1 25 PRO QD 1 50 THR MG 1.800 . 5.000 3.894 2.428 4.581 . 0 0 "[ . 1 . 2]" 1
376 1 25 PRO QG 1 50 THR MG 1.800 . 5.000 4.803 3.677 5.183 0.183 1 0 "[ . 1 . 2]" 1
377 1 25 PRO HD3 1 53 VAL HB 1.800 . 5.000 2.327 1.815 2.827 . 0 0 "[ . 1 . 2]" 1
378 1 25 PRO HD2 1 53 VAL HB 1.800 . 5.000 3.677 2.920 4.437 . 0 0 "[ . 1 . 2]" 1
379 1 25 PRO QD 1 53 VAL HB 1.800 . 5.000 2.292 1.809 2.751 . 0 0 "[ . 1 . 2]" 1
380 1 25 PRO HD3 1 53 VAL MG2 1.800 . 3.500 2.370 1.974 3.008 . 0 0 "[ . 1 . 2]" 1
381 1 25 PRO HD2 1 53 VAL MG2 1.800 . 3.500 2.917 2.434 3.467 . 0 0 "[ . 1 . 2]" 1
382 1 25 PRO QD 1 53 VAL MG2 1.800 . 3.500 2.223 1.954 2.689 . 0 0 "[ . 1 . 2]" 1
383 1 25 PRO HD3 1 53 VAL H 1.800 . 5.000 3.300 2.166 4.911 . 0 0 "[ . 1 . 2]" 1
384 1 25 PRO HD2 1 53 VAL H 1.800 . 5.000 3.784 3.047 5.062 0.062 20 0 "[ . 1 . 2]" 1
385 1 25 PRO QD 1 53 VAL H 1.800 . 5.000 3.022 2.151 4.208 . 0 0 "[ . 1 . 2]" 1
386 1 26 CYS H 1 26 CYS QB 1.800 . 3.500 2.352 2.257 2.704 . 0 0 "[ . 1 . 2]" 1
387 1 26 CYS H 1 27 GLY H 1.800 . 5.000 2.770 1.982 3.038 . 0 0 "[ . 1 . 2]" 1
388 1 26 CYS QB 1 28 HIS H 1.800 . 5.000 2.904 2.626 3.230 . 0 0 "[ . 1 . 2]" 1
389 1 26 CYS HB3 1 50 THR HB 1.800 . 5.000 4.404 3.972 4.766 . 0 0 "[ . 1 . 2]" 1
390 1 26 CYS HB2 1 50 THR HB 1.800 . 5.000 3.323 2.958 3.782 . 0 0 "[ . 1 . 2]" 1
391 1 26 CYS QB 1 50 THR HB 1.800 . 5.000 3.224 2.897 3.576 . 0 0 "[ . 1 . 2]" 1
392 1 26 CYS HA 1 50 THR MG 1.800 . 5.000 4.294 3.915 4.725 . 0 0 "[ . 1 . 2]" 1
393 1 26 CYS QB 1 50 THR MG 1.800 . 3.500 3.005 2.153 3.511 0.011 4 0 "[ . 1 . 2]" 1
394 1 26 CYS H 1 50 THR MG 1.800 . 5.000 4.790 3.881 5.104 0.104 2 0 "[ . 1 . 2]" 1
395 1 27 GLY H 1 28 HIS H 1.800 . 5.000 2.567 2.314 2.836 . 0 0 "[ . 1 . 2]" 1
396 1 28 HIS H 1 28 HIS QB 1.800 . 3.500 2.361 2.225 2.467 . 0 0 "[ . 1 . 2]" 1
397 1 28 HIS HA 1 28 HIS HD2 1.800 . 3.500 2.482 2.288 2.668 . 0 0 "[ . 1 . 2]" 1
398 1 28 HIS HA 1 29 LYS QG 1.800 . 5.000 3.462 3.110 4.262 . 0 0 "[ . 1 . 2]" 1
399 1 28 HIS HA 1 29 LYS H 1.800 . 3.500 2.253 2.131 2.494 . 0 0 "[ . 1 . 2]" 1
400 1 28 HIS HB3 1 29 LYS H 1.800 . 5.000 2.941 2.294 3.545 . 0 0 "[ . 1 . 2]" 1
401 1 28 HIS HB2 1 29 LYS H 1.800 . 5.000 4.120 3.705 4.488 . 0 0 "[ . 1 . 2]" 1
402 1 28 HIS QB 1 29 LYS H 1.800 . 3.500 2.878 2.273 3.419 . 0 0 "[ . 1 . 2]" 1
403 1 28 HIS H 1 29 LYS H 1.800 . 5.000 4.624 4.530 4.682 . 0 0 "[ . 1 . 2]" 1
404 1 28 HIS HB3 1 47 PHE QD 1.800 . 5.000 2.853 2.000 3.624 . 0 0 "[ . 1 . 2]" 1
405 1 28 HIS HB2 1 47 PHE QD 1.800 . 5.000 4.061 3.274 4.897 . 0 0 "[ . 1 . 2]" 1
406 1 28 HIS QB 1 47 PHE QD 1.800 . 3.500 2.795 1.987 3.518 0.018 5 0 "[ . 1 . 2]" 1
407 1 28 HIS QB 1 47 PHE QE 1.800 . 5.000 3.666 2.921 4.917 . 0 0 "[ . 1 . 2]" 1
408 1 28 HIS HE1 1 48 CYS HA 1.800 . 5.000 4.242 3.919 4.672 . 0 0 "[ . 1 . 2]" 1
409 1 28 HIS HE1 1 48 CYS QB 1.800 . 3.500 1.892 1.779 2.097 0.021 7 0 "[ . 1 . 2]" 1
410 1 29 LYS H 1 29 LYS QB 1.800 . 3.500 2.665 2.455 2.771 . 0 0 "[ . 1 . 2]" 1
411 1 29 LYS HA 1 29 LYS QD 1.800 . 6.000 3.967 2.352 4.138 . 0 0 "[ . 1 . 2]" 1
412 1 29 LYS HA 1 29 LYS QE 1.800 . 5.000 4.851 4.227 5.225 0.225 12 0 "[ . 1 . 2]" 1
413 1 29 LYS HB3 1 29 LYS QE 1.800 . 5.000 4.090 3.293 4.331 . 0 0 "[ . 1 . 2]" 1
414 1 29 LYS HB2 1 29 LYS QE 1.800 . 5.000 4.024 2.149 4.293 . 0 0 "[ . 1 . 2]" 1
415 1 29 LYS QB 1 29 LYS QE 1.800 . 5.000 3.594 2.123 3.736 . 0 0 "[ . 1 . 2]" 1
416 1 29 LYS QE 1 29 LYS HG3 1.800 . 5.000 2.622 2.310 2.980 . 0 0 "[ . 1 . 2]" 1
417 1 29 LYS QE 1 29 LYS HG2 1.800 . 5.000 2.609 2.424 3.327 . 0 0 "[ . 1 . 2]" 1
418 1 29 LYS H 1 29 LYS QG 1.800 . 5.000 2.969 2.497 3.601 . 0 0 "[ . 1 . 2]" 1
419 1 29 LYS HA 1 30 SER H 1.800 . 3.500 2.286 2.171 2.457 . 0 0 "[ . 1 . 2]" 1
420 1 29 LYS HB3 1 30 SER H 1.800 . 5.000 2.640 2.284 3.110 . 0 0 "[ . 1 . 2]" 1
421 1 29 LYS HB2 1 30 SER H 1.800 . 5.000 3.715 3.413 4.242 . 0 0 "[ . 1 . 2]" 1
422 1 29 LYS QB 1 30 SER H 1.800 . 3.500 2.586 2.252 3.036 . 0 0 "[ . 1 . 2]" 1
423 1 29 LYS HG3 1 30 SER H 1.800 . 6.000 4.894 4.259 5.113 . 0 0 "[ . 1 . 2]" 1
424 1 29 LYS HG2 1 30 SER H 1.800 . 6.000 4.274 3.803 4.925 . 0 0 "[ . 1 . 2]" 1
425 1 29 LYS QG 1 30 SER H 1.800 . 5.000 4.007 3.634 4.466 . 0 0 "[ . 1 . 2]" 1
426 1 29 LYS H 1 30 SER H 1.800 . 6.000 4.420 4.290 4.528 . 0 0 "[ . 1 . 2]" 1
427 1 29 LYS QD 1 58 TRP QB 1.800 . 5.000 3.408 2.743 4.638 . 0 0 "[ . 1 . 2]" 1
428 1 29 LYS QD 1 58 TRP HD1 1.800 . 5.000 4.076 3.257 4.984 . 0 0 "[ . 1 . 2]" 1
429 1 29 LYS QD 1 58 TRP HE1 1.800 . 5.000 4.033 3.402 4.557 . 0 0 "[ . 1 . 2]" 1
430 1 29 LYS QE 1 58 TRP HE1 1.800 . 5.000 3.145 2.326 4.589 . 0 0 "[ . 1 . 2]" 1
431 1 29 LYS QD 1 58 TRP HE3 1.800 . 5.000 3.906 3.186 5.121 0.121 14 0 "[ . 1 . 2]" 1
432 1 29 LYS QD 1 58 TRP HZ2 1.800 . 6.000 4.283 3.755 4.936 . 0 0 "[ . 1 . 2]" 1
433 1 29 LYS QE 1 58 TRP HZ2 1.800 . 5.000 4.076 3.411 5.047 0.047 16 0 "[ . 1 . 2]" 1
434 1 30 SER QB 1 31 CYS H 1.800 . 3.500 2.495 2.025 3.217 . 0 0 "[ . 1 . 2]" 1
435 1 30 SER HG 1 31 CYS H 1.800 . 5.000 3.573 2.891 4.167 . 0 0 "[ . 1 . 2]" 1
436 1 30 SER HG 1 34 CYS QB 1.800 . 5.000 2.994 2.039 4.048 . 0 0 "[ . 1 . 2]" 1
437 1 30 SER HG 1 34 CYS HB3 1.800 . 5.000 3.608 2.362 4.939 . 0 0 "[ . 1 . 2]" 1
438 1 30 SER HG 1 34 CYS HB2 1.800 . 5.000 3.208 2.228 4.298 . 0 0 "[ . 1 . 2]" 1
439 1 30 SER HG 1 35 ILE HB 1.800 . 5.000 4.347 3.153 5.011 0.011 7 0 "[ . 1 . 2]" 1
440 1 30 SER HG 1 35 ILE MG 1.800 . 5.000 4.670 3.840 5.129 0.129 2 0 "[ . 1 . 2]" 1
441 1 30 SER HG 1 35 ILE H 1.800 . 5.000 4.540 4.068 4.893 . 0 0 "[ . 1 . 2]" 1
442 1 31 CYS H 1 31 CYS QB 1.800 . 3.500 2.539 2.392 2.896 . 0 0 "[ . 1 . 2]" 1
443 1 31 CYS HA 1 32 LYS H 1.800 . 3.500 2.363 2.280 2.434 . 0 0 "[ . 1 . 2]" 1
444 1 31 CYS QB 1 32 LYS H 1.800 . 3.500 2.729 2.468 3.007 . 0 0 "[ . 1 . 2]" 1
445 1 31 CYS HA 1 33 ALA H 1.800 . 5.000 4.259 4.045 4.484 . 0 0 "[ . 1 . 2]" 1
446 1 31 CYS QB 1 33 ALA H 1.800 . 5.000 3.121 2.825 3.472 . 0 0 "[ . 1 . 2]" 1
447 1 31 CYS H 1 34 CYS QB 1.800 . 5.000 3.271 2.637 3.811 . 0 0 "[ . 1 . 2]" 1
448 1 32 LYS H 1 32 LYS QB 1.800 . 3.500 2.400 2.176 2.664 . 0 0 "[ . 1 . 2]" 1
449 1 32 LYS HA 1 32 LYS QD 1.800 . 5.000 3.913 2.227 4.623 . 0 0 "[ . 1 . 2]" 1
450 1 32 LYS QB 1 32 LYS QE 1.800 . 5.000 2.491 1.954 3.914 . 0 0 "[ . 1 . 2]" 1
451 1 32 LYS H 1 32 LYS QG 1.800 . 5.000 2.990 2.041 4.043 . 0 0 "[ . 1 . 2]" 1
452 1 32 LYS H 1 32 LYS HG3 1.800 . 5.000 3.544 2.061 4.549 . 0 0 "[ . 1 . 2]" 1
453 1 32 LYS H 1 32 LYS HG2 1.800 . 5.000 3.601 2.055 4.557 . 0 0 "[ . 1 . 2]" 1
454 1 32 LYS QB 1 33 ALA HA 1.800 . 5.000 4.253 3.799 4.680 . 0 0 "[ . 1 . 2]" 1
455 1 32 LYS QE 1 33 ALA HA 1.800 . 6.000 5.374 3.469 6.256 0.256 9 0 "[ . 1 . 2]" 1
456 1 32 LYS QB 1 33 ALA H 1.800 . 5.000 3.004 2.491 3.716 . 0 0 "[ . 1 . 2]" 1
457 1 32 LYS H 1 33 ALA H 1.800 . 3.500 2.667 2.517 2.776 . 0 0 "[ . 1 . 2]" 1
458 1 32 LYS H 1 34 CYS H 1.800 . 6.000 4.386 4.146 4.542 . 0 0 "[ . 1 . 2]" 1
459 1 32 LYS HA 1 35 ILE MG 1.800 . 3.500 2.171 1.929 2.547 . 0 0 "[ . 1 . 2]" 1
460 1 32 LYS H 1 35 ILE MG 1.800 . 5.000 4.490 4.225 4.929 . 0 0 "[ . 1 . 2]" 1
461 1 32 LYS HA 1 35 ILE H 1.800 . 5.000 3.500 3.131 3.991 . 0 0 "[ . 1 . 2]" 1
462 1 32 LYS HA 1 36 ASN H 1.800 . 5.000 4.151 4.006 4.450 . 0 0 "[ . 1 . 2]" 1
463 1 33 ALA H 1 33 ALA MB 1.800 . 3.500 2.241 2.221 2.275 . 0 0 "[ . 1 . 2]" 1
464 1 33 ALA H 1 34 CYS QB 1.800 . 5.000 4.610 4.515 4.777 . 0 0 "[ . 1 . 2]" 1
465 1 33 ALA MB 1 34 CYS H 1.800 . 3.500 2.629 2.513 2.847 . 0 0 "[ . 1 . 2]" 1
466 1 33 ALA H 1 34 CYS H 1.800 . 3.500 2.775 2.696 2.907 . 0 0 "[ . 1 . 2]" 1
467 1 33 ALA H 1 35 ILE H 1.800 . 5.000 4.523 4.352 4.828 . 0 0 "[ . 1 . 2]" 1
468 1 33 ALA HA 1 36 ASN QB 1.800 . 5.000 2.715 2.405 3.022 . 0 0 "[ . 1 . 2]" 1
469 1 33 ALA H 1 36 ASN QB 1.800 . 6.000 4.719 4.449 5.090 . 0 0 "[ . 1 . 2]" 1
470 1 33 ALA HA 1 36 ASN HB3 1.800 . 5.000 3.111 2.567 4.635 . 0 0 "[ . 1 . 2]" 1
471 1 33 ALA HA 1 36 ASN HB2 1.800 . 5.000 3.437 2.427 4.018 . 0 0 "[ . 1 . 2]" 1
472 1 33 ALA HA 1 36 ASN HD21 1.800 . 5.000 4.287 3.101 5.071 0.071 17 0 "[ . 1 . 2]" 1
473 1 33 ALA HA 1 36 ASN H 1.800 . 5.000 3.760 3.492 4.006 . 0 0 "[ . 1 . 2]" 1
474 1 33 ALA MB 1 36 ASN H 1.800 . 5.000 4.853 4.642 5.013 0.013 18 0 "[ . 1 . 2]" 1
475 1 34 CYS H 1 34 CYS QB 1.800 . 3.500 2.281 2.221 2.362 . 0 0 "[ . 1 . 2]" 1
476 1 34 CYS HB3 1 35 ILE H 1.800 . 5.000 3.166 2.890 3.499 . 0 0 "[ . 1 . 2]" 1
477 1 34 CYS HB2 1 35 ILE H 1.800 . 5.000 2.729 2.593 2.897 . 0 0 "[ . 1 . 2]" 1
478 1 34 CYS QB 1 35 ILE H 1.800 . 5.000 2.574 2.445 2.765 . 0 0 "[ . 1 . 2]" 1
479 1 34 CYS H 1 35 ILE H 1.800 . 5.000 2.838 2.680 2.894 . 0 0 "[ . 1 . 2]" 1
480 1 34 CYS HA 1 37 GLN QB 1.800 . 5.000 3.124 2.618 3.704 . 0 0 "[ . 1 . 2]" 1
481 1 34 CYS HA 1 37 GLN HB3 1.800 . 5.000 3.382 2.701 5.047 0.047 5 0 "[ . 1 . 2]" 1
482 1 34 CYS HA 1 37 GLN HB2 1.800 . 5.000 4.096 3.039 4.633 . 0 0 "[ . 1 . 2]" 1
483 1 34 CYS HA 1 37 GLN H 1.800 . 5.000 3.977 3.725 4.230 . 0 0 "[ . 1 . 2]" 1
484 1 34 CYS HA 1 38 HIS H 1.800 . 5.000 4.451 4.321 4.679 . 0 0 "[ . 1 . 2]" 1
485 1 34 CYS HB3 1 46 PHE QE 1.800 . 6.000 2.902 2.044 3.391 . 0 0 "[ . 1 . 2]" 1
486 1 34 CYS HB2 1 46 PHE QE 1.800 . 6.000 4.196 3.506 4.601 . 0 0 "[ . 1 . 2]" 1
487 1 34 CYS QB 1 46 PHE QE 1.800 . 5.000 2.847 2.034 3.307 . 0 0 "[ . 1 . 2]" 1
488 1 34 CYS QB 1 46 PHE HZ 1.800 . 5.000 2.508 2.088 2.876 . 0 0 "[ . 1 . 2]" 1
489 1 35 ILE HA 1 35 ILE MD 1.800 . 3.500 2.087 2.014 2.212 . 0 0 "[ . 1 . 2]" 1
490 1 35 ILE QG 1 35 ILE MG 1.800 . 3.500 2.175 2.154 2.189 . 0 0 "[ . 1 . 2]" 1
491 1 35 ILE HG13 1 35 ILE MG 1.800 . 3.500 2.503 2.455 2.544 . 0 0 "[ . 1 . 2]" 1
492 1 35 ILE HG12 1 35 ILE MG 1.800 . 3.500 2.390 2.362 2.419 . 0 0 "[ . 1 . 2]" 1
493 1 35 ILE H 1 35 ILE MG 1.800 . 3.500 2.038 1.877 2.148 . 0 0 "[ . 1 . 2]" 1
494 1 35 ILE MG 1 36 ASN HA 1.800 . 5.000 3.526 3.376 3.692 . 0 0 "[ . 1 . 2]" 1
495 1 35 ILE HB 1 36 ASN H 1.800 . 5.000 4.126 4.065 4.218 . 0 0 "[ . 1 . 2]" 1
496 1 35 ILE MG 1 36 ASN H 1.800 . 3.500 2.384 2.186 2.594 . 0 0 "[ . 1 . 2]" 1
497 1 35 ILE H 1 36 ASN H 1.800 . 3.500 2.562 2.470 2.671 . 0 0 "[ . 1 . 2]" 1
498 1 35 ILE HA 1 38 HIS QB 1.800 . 3.500 2.081 1.939 2.222 . 0 0 "[ . 1 . 2]" 1
499 1 35 ILE MD 1 38 HIS QB 1.800 . 5.000 2.100 1.809 2.511 . 0 0 "[ . 1 . 2]" 1
500 1 35 ILE QG 1 38 HIS QB 1.800 . 6.000 3.729 3.396 4.108 . 0 0 "[ . 1 . 2]" 1
501 1 35 ILE HA 1 38 HIS HB3 1.800 . 5.000 2.148 1.970 2.309 . 0 0 "[ . 1 . 2]" 1
502 1 35 ILE MD 1 38 HIS HB3 1.800 . 5.000 2.118 1.821 2.540 . 0 0 "[ . 1 . 2]" 1
503 1 35 ILE HA 1 38 HIS HB2 1.800 . 5.000 2.819 2.571 3.191 . 0 0 "[ . 1 . 2]" 1
504 1 35 ILE MD 1 38 HIS HB2 1.800 . 5.000 3.464 3.092 3.955 . 0 0 "[ . 1 . 2]" 1
505 1 35 ILE MD 1 38 HIS HD2 1.800 . 3.500 2.535 2.201 3.060 . 0 0 "[ . 1 . 2]" 1
506 1 35 ILE HA 1 38 HIS H 1.800 . 5.000 3.084 2.863 3.318 . 0 0 "[ . 1 . 2]" 1
507 1 35 ILE MD 1 39 LEU MD1 1.800 . 5.000 3.323 2.835 3.808 . 0 0 "[ . 1 . 2]" 1
508 1 35 ILE QG 1 39 LEU MD1 1.800 . 5.000 2.472 2.267 2.855 . 0 0 "[ . 1 . 2]" 1
509 1 35 ILE MG 1 39 LEU MD1 1.800 . 5.000 3.523 3.170 3.845 . 0 0 "[ . 1 . 2]" 1
510 1 35 ILE MD 1 39 LEU MD2 1.800 . 5.000 2.429 2.209 2.663 . 0 0 "[ . 1 . 2]" 1
511 1 35 ILE QG 1 39 LEU MD2 1.800 . 5.000 3.004 2.567 3.571 . 0 0 "[ . 1 . 2]" 1
512 1 35 ILE MD 1 39 LEU HG 1.800 . 5.000 2.660 2.337 3.153 . 0 0 "[ . 1 . 2]" 1
513 1 35 ILE QG 1 39 LEU HG 1.800 . 5.000 2.344 1.957 2.668 . 0 0 "[ . 1 . 2]" 1
514 1 35 ILE MD 1 39 LEU H 1.800 . 5.000 3.645 3.315 3.909 . 0 0 "[ . 1 . 2]" 1
515 1 35 ILE QG 1 39 LEU H 1.800 . 5.000 4.146 3.869 4.371 . 0 0 "[ . 1 . 2]" 1
516 1 35 ILE HA 1 46 PHE QE 1.800 . 5.000 2.907 2.304 3.628 . 0 0 "[ . 1 . 2]" 1
517 1 35 ILE HB 1 46 PHE QE 1.800 . 6.000 2.875 2.334 3.709 . 0 0 "[ . 1 . 2]" 1
518 1 35 ILE MD 1 46 PHE QE 1.800 . 5.000 2.410 1.903 3.825 . 0 0 "[ . 1 . 2]" 1
519 1 35 ILE HA 1 46 PHE HZ 1.800 . 5.000 2.388 1.951 3.074 . 0 0 "[ . 1 . 2]" 1
520 1 35 ILE HB 1 46 PHE HZ 1.800 . 5.000 3.766 3.089 4.760 . 0 0 "[ . 1 . 2]" 1
521 1 35 ILE MD 1 46 PHE HZ 1.800 . 5.000 3.423 2.972 4.048 . 0 0 "[ . 1 . 2]" 1
522 1 35 ILE MD 1 52 ILE MD 1.800 . 3.500 2.144 1.925 2.546 . 0 0 "[ . 1 . 2]" 1
523 1 35 ILE MD 1 55 VAL MG2 1.800 . 5.000 2.885 2.447 3.472 . 0 0 "[ . 1 . 2]" 1
524 1 35 ILE MG 1 55 VAL MG2 1.800 . 5.000 3.092 2.184 3.943 . 0 0 "[ . 1 . 2]" 1
525 1 36 ASN H 1 36 ASN QB 1.800 . 3.500 2.300 2.233 2.502 . 0 0 "[ . 1 . 2]" 1
526 1 36 ASN QB 1 37 GLN HA 1.800 . 5.000 4.222 3.973 4.337 . 0 0 "[ . 1 . 2]" 1
527 1 36 ASN HB3 1 37 GLN H 1.800 . 5.000 2.730 2.261 3.743 . 0 0 "[ . 1 . 2]" 1
528 1 36 ASN HB2 1 37 GLN H 1.800 . 5.000 3.572 2.560 3.919 . 0 0 "[ . 1 . 2]" 1
529 1 36 ASN QB 1 37 GLN H 1.800 . 3.500 2.499 2.242 2.700 . 0 0 "[ . 1 . 2]" 1
530 1 36 ASN H 1 37 GLN H 1.800 . 3.500 2.692 2.632 2.777 . 0 0 "[ . 1 . 2]" 1
531 1 36 ASN HA 1 39 LEU QB 1.800 . 5.000 3.159 2.660 3.476 . 0 0 "[ . 1 . 2]" 1
532 1 36 ASN HA 1 39 LEU HB3 1.800 . 5.000 4.809 4.284 5.063 0.063 12 0 "[ . 1 . 2]" 1
533 1 36 ASN HA 1 39 LEU HB2 1.800 . 5.000 3.204 2.686 3.544 . 0 0 "[ . 1 . 2]" 1
534 1 36 ASN HA 1 39 LEU MD1 1.800 . 5.000 2.833 2.362 3.497 . 0 0 "[ . 1 . 2]" 1
535 1 36 ASN HA 1 39 LEU H 1.800 . 5.000 3.663 3.410 3.927 . 0 0 "[ . 1 . 2]" 1
536 1 36 ASN HA 1 40 MET H 1.800 . 6.000 5.210 4.880 5.683 . 0 0 "[ . 1 . 2]" 1
537 1 37 GLN H 1 37 GLN HB3 1.800 . 3.500 2.593 2.393 3.579 0.079 10 0 "[ . 1 . 2]" 1
538 1 37 GLN H 1 37 GLN HB2 1.800 . 3.500 2.520 2.386 2.649 . 0 0 "[ . 1 . 2]" 1
539 1 37 GLN H 1 37 GLN QG 1.800 . 5.000 3.841 2.326 4.069 . 0 0 "[ . 1 . 2]" 1
540 1 37 GLN HB3 1 38 HIS H 1.800 . 5.000 2.915 2.581 3.998 . 0 0 "[ . 1 . 2]" 1
541 1 37 GLN HB2 1 38 HIS H 1.800 . 5.000 3.886 3.007 4.114 . 0 0 "[ . 1 . 2]" 1
542 1 37 GLN QB 1 38 HIS H 1.800 . 3.500 2.768 2.547 3.059 . 0 0 "[ . 1 . 2]" 1
543 1 37 GLN QG 1 38 HIS H 1.800 . 5.000 3.942 3.582 4.543 . 0 0 "[ . 1 . 2]" 1
544 1 37 GLN H 1 38 HIS H 1.800 . 3.500 2.557 2.469 2.727 . 0 0 "[ . 1 . 2]" 1
545 1 37 GLN QG 1 40 MET HB3 1.800 . 6.000 5.565 5.100 6.040 0.040 5 0 "[ . 1 . 2]" 1
546 1 37 GLN QG 1 40 MET HB2 1.800 . 6.000 4.617 3.888 6.120 0.120 20 0 "[ . 1 . 2]" 1
547 1 37 GLN QG 1 40 MET ME 1.800 . 6.000 4.576 2.113 6.031 0.031 1 0 "[ . 1 . 2]" 1
548 1 37 GLN HA 1 40 MET QG 1.800 . 5.000 2.807 2.057 3.652 . 0 0 "[ . 1 . 2]" 1
549 1 37 GLN HA 1 40 MET HG3 1.800 . 5.000 3.313 2.495 4.840 . 0 0 "[ . 1 . 2]" 1
550 1 37 GLN HA 1 40 MET HG2 1.800 . 5.000 3.511 2.154 4.912 . 0 0 "[ . 1 . 2]" 1
551 1 37 GLN HA 1 40 MET H 1.800 . 5.000 3.963 3.628 4.393 . 0 0 "[ . 1 . 2]" 1
552 1 38 HIS H 1 38 HIS HB3 1.800 . 3.500 2.551 2.393 2.632 . 0 0 "[ . 1 . 2]" 1
553 1 38 HIS H 1 38 HIS HB2 1.800 . 3.500 2.547 2.387 2.656 . 0 0 "[ . 1 . 2]" 1
554 1 38 HIS QB 1 38 HIS HD2 1.800 . 3.500 2.694 2.626 2.792 . 0 0 "[ . 1 . 2]" 1
555 1 38 HIS H 1 39 LEU QB 1.800 . 6.000 4.574 4.440 4.686 . 0 0 "[ . 1 . 2]" 1
556 1 38 HIS HD2 1 39 LEU MD2 1.800 . 5.000 3.204 2.834 4.045 . 0 0 "[ . 1 . 2]" 1
557 1 38 HIS H 1 39 LEU HG 1.800 . 6.000 4.435 4.147 4.705 . 0 0 "[ . 1 . 2]" 1
558 1 38 HIS HB3 1 39 LEU H 1.800 . 5.000 2.813 2.565 3.122 . 0 0 "[ . 1 . 2]" 1
559 1 38 HIS HB2 1 39 LEU H 1.800 . 5.000 3.979 3.818 4.179 . 0 0 "[ . 1 . 2]" 1
560 1 38 HIS QB 1 39 LEU H 1.800 . 3.500 2.757 2.529 3.040 . 0 0 "[ . 1 . 2]" 1
561 1 38 HIS H 1 39 LEU H 1.800 . 3.500 2.562 2.433 2.657 . 0 0 "[ . 1 . 2]" 1
562 1 38 HIS HA 1 40 MET H 1.800 . 6.000 3.917 3.674 4.269 . 0 0 "[ . 1 . 2]" 1
563 1 38 HIS HD2 1 44 ASP H 1.800 . 6.000 2.925 2.024 3.674 . 0 0 "[ . 1 . 2]" 1
564 1 38 HIS HE1 1 46 PHE HA 1.800 . 6.000 3.807 2.729 6.043 0.043 16 0 "[ . 1 . 2]" 1
565 1 38 HIS HE1 1 46 PHE QD 1.800 . 5.000 4.432 3.783 4.932 . 0 0 "[ . 1 . 2]" 1
566 1 38 HIS HB3 1 46 PHE QE 1.800 . 6.000 3.617 3.067 4.095 . 0 0 "[ . 1 . 2]" 1
567 1 38 HIS HB2 1 46 PHE QE 1.800 . 6.000 2.954 2.551 3.336 . 0 0 "[ . 1 . 2]" 1
568 1 38 HIS QB 1 46 PHE QE 1.800 . 5.000 2.802 2.498 3.068 . 0 0 "[ . 1 . 2]" 1
569 1 38 HIS HB3 1 46 PHE HZ 1.800 . 6.000 3.062 2.430 3.469 . 0 0 "[ . 1 . 2]" 1
570 1 38 HIS HB2 1 46 PHE HZ 1.800 . 6.000 2.304 1.894 2.617 . 0 0 "[ . 1 . 2]" 1
571 1 39 LEU H 1 39 LEU QB 1.800 . 3.500 2.389 2.338 2.453 . 0 0 "[ . 1 . 2]" 1
572 1 39 LEU HA 1 39 LEU MD1 1.800 . 5.000 3.908 3.875 3.953 . 0 0 "[ . 1 . 2]" 1
573 1 39 LEU HB3 1 39 LEU MD1 1.800 . 3.500 2.463 2.406 2.525 . 0 0 "[ . 1 . 2]" 1
574 1 39 LEU HB2 1 39 LEU MD1 1.800 . 3.500 2.393 2.336 2.442 . 0 0 "[ . 1 . 2]" 1
575 1 39 LEU H 1 39 LEU MD1 1.800 . 5.000 3.746 3.583 3.885 . 0 0 "[ . 1 . 2]" 1
576 1 39 LEU HA 1 39 LEU MD2 1.800 . 3.500 2.028 1.970 2.128 . 0 0 "[ . 1 . 2]" 1
577 1 39 LEU QB 1 39 LEU MD2 1.800 . 3.500 2.397 2.358 2.435 . 0 0 "[ . 1 . 2]" 1
578 1 39 LEU H 1 39 LEU MD2 1.800 . 5.000 3.538 3.338 3.669 . 0 0 "[ . 1 . 2]" 1
579 1 39 LEU H 1 39 LEU HG 1.800 . 5.000 2.547 2.343 2.734 . 0 0 "[ . 1 . 2]" 1
580 1 39 LEU HB3 1 40 MET H 1.800 . 5.000 4.042 3.849 4.253 . 0 0 "[ . 1 . 2]" 1
581 1 39 LEU HB2 1 40 MET H 1.800 . 5.000 3.295 2.963 3.579 . 0 0 "[ . 1 . 2]" 1
582 1 39 LEU QB 1 40 MET H 1.800 . 5.000 3.156 2.872 3.398 . 0 0 "[ . 1 . 2]" 1
583 1 39 LEU MD2 1 40 MET H 1.800 . 5.000 4.808 4.738 4.875 . 0 0 "[ . 1 . 2]" 1
584 1 39 LEU H 1 40 MET H 1.800 . 5.000 2.642 2.565 2.713 . 0 0 "[ . 1 . 2]" 1
585 1 39 LEU HA 1 41 ASN H 1.800 . 5.000 3.644 3.242 4.128 . 0 0 "[ . 1 . 2]" 1
586 1 39 LEU HA 1 42 ASN H 1.800 . 5.000 3.877 3.659 4.129 . 0 0 "[ . 1 . 2]" 1
587 1 39 LEU MD2 1 42 ASN H 1.800 . 5.000 4.896 4.599 5.088 0.088 6 0 "[ . 1 . 2]" 1
588 1 39 LEU MD2 1 43 LYS HA 1.800 . 3.500 2.217 1.910 3.010 . 0 0 "[ . 1 . 2]" 1
589 1 39 LEU MD2 1 43 LYS QD 1.800 . 5.000 3.540 2.433 4.446 . 0 0 "[ . 1 . 2]" 1
590 1 39 LEU MD2 1 43 LYS HD3 1.800 . 5.000 4.235 2.766 5.037 0.037 16 0 "[ . 1 . 2]" 1
591 1 39 LEU MD2 1 43 LYS HD2 1.800 . 5.000 3.975 2.698 5.039 0.039 5 0 "[ . 1 . 2]" 1
592 1 39 LEU MD2 1 44 ASP H 1.800 . 5.000 4.337 3.635 5.043 0.043 19 0 "[ . 1 . 2]" 1
593 1 39 LEU MD2 1 52 ILE HB 1.800 . 5.000 3.879 2.988 4.694 . 0 0 "[ . 1 . 2]" 1
594 1 39 LEU MD1 1 52 ILE MD 1.800 . 5.000 4.748 4.063 5.099 0.099 19 0 "[ . 1 . 2]" 1
595 1 39 LEU MD2 1 52 ILE MD 1.800 . 5.000 3.617 2.916 4.413 . 0 0 "[ . 1 . 2]" 1
596 1 39 LEU MD2 1 52 ILE MG 1.800 . 6.000 4.060 2.592 5.053 . 0 0 "[ . 1 . 2]" 1
597 1 39 LEU MD1 1 55 VAL MG2 1.800 . 3.500 2.925 1.937 3.478 . 0 0 "[ . 1 . 2]" 1
598 1 40 MET H 1 40 MET QB 1.800 . 3.500 2.491 2.410 2.612 . 0 0 "[ . 1 . 2]" 1
599 1 40 MET ME 1 40 MET HG3 1.800 . 5.000 2.763 2.479 3.430 . 0 0 "[ . 1 . 2]" 1
600 1 40 MET ME 1 40 MET HG2 1.800 . 5.000 2.832 2.374 3.439 . 0 0 "[ . 1 . 2]" 1
601 1 40 MET HA 1 40 MET QG 1.800 . 3.500 2.877 2.462 3.401 . 0 0 "[ . 1 . 2]" 1
602 1 40 MET H 1 40 MET QG 1.800 . 3.500 2.266 2.093 2.374 . 0 0 "[ . 1 . 2]" 1
603 1 40 MET H 1 40 MET HG3 1.800 . 5.000 3.099 2.114 3.798 . 0 0 "[ . 1 . 2]" 1
604 1 40 MET H 1 40 MET HG2 1.800 . 5.000 2.772 2.122 3.604 . 0 0 "[ . 1 . 2]" 1
605 1 40 MET HB3 1 41 ASN H 1.800 . 5.000 4.061 3.682 4.305 . 0 0 "[ . 1 . 2]" 1
606 1 40 MET HB2 1 41 ASN H 1.800 . 5.000 3.252 2.601 4.268 . 0 0 "[ . 1 . 2]" 1
607 1 41 ASN H 1 41 ASN QB 1.800 . 3.500 2.526 2.218 2.764 . 0 0 "[ . 1 . 2]" 1
608 1 41 ASN HA 1 41 ASN HD22 1.800 . 5.000 4.501 3.562 4.916 . 0 0 "[ . 1 . 2]" 1
609 1 41 ASN HB3 1 42 ASN H 1.800 . 5.000 2.651 2.059 3.381 . 0 0 "[ . 1 . 2]" 1
610 1 41 ASN HB2 1 42 ASN H 1.800 . 5.000 2.837 1.856 3.697 . 0 0 "[ . 1 . 2]" 1
611 1 41 ASN QB 1 42 ASN H 1.800 . 5.000 2.070 1.843 2.282 . 0 0 "[ . 1 . 2]" 1
612 1 41 ASN H 1 42 ASN H 1.800 . 3.500 2.555 2.130 2.857 . 0 0 "[ . 1 . 2]" 1
613 1 42 ASN H 1 42 ASN QB 1.800 . 3.500 2.599 2.421 2.822 . 0 0 "[ . 1 . 2]" 1
614 1 42 ASN HA 1 42 ASN HD21 1.800 . 5.000 3.477 1.884 4.564 . 0 0 "[ . 1 . 2]" 1
615 1 42 ASN H 1 42 ASN HD21 1.800 . 5.000 3.771 2.804 4.799 . 0 0 "[ . 1 . 2]" 1
616 1 42 ASN HA 1 42 ASN HD22 1.800 . 5.000 4.245 3.497 4.850 . 0 0 "[ . 1 . 2]" 1
617 1 42 ASN H 1 42 ASN HD22 1.800 . 5.000 4.652 4.120 5.102 0.102 16 0 "[ . 1 . 2]" 1
618 1 42 ASN HA 1 43 LYS H 1.800 . 2.700 2.580 2.322 2.770 0.070 2 0 "[ . 1 . 2]" 1
619 1 42 ASN QB 1 43 LYS H 1.800 . 5.000 2.190 1.901 2.701 . 0 0 "[ . 1 . 2]" 1
620 1 42 ASN QB 1 44 ASP H 1.800 . 5.000 2.803 2.258 3.902 . 0 0 "[ . 1 . 2]" 1
621 1 43 LYS H 1 43 LYS QD 1.800 . 5.000 4.258 1.889 5.148 0.148 13 0 "[ . 1 . 2]" 1
622 1 43 LYS QB 1 43 LYS QE 1.800 . 5.000 3.252 1.954 3.930 . 0 0 "[ . 1 . 2]" 1
623 1 43 LYS H 1 43 LYS QG 1.800 . 5.000 3.465 2.407 4.283 . 0 0 "[ . 1 . 2]" 1
624 1 43 LYS H 1 44 ASP H 1.800 . 3.500 2.680 1.972 3.552 0.052 20 0 "[ . 1 . 2]" 1
625 1 43 LYS HA 1 51 THR MG 1.800 . 6.000 4.994 4.310 5.949 . 0 0 "[ . 1 . 2]" 1
626 1 43 LYS HB3 1 51 THR MG 1.800 . 5.000 3.401 2.496 4.632 . 0 0 "[ . 1 . 2]" 1
627 1 43 LYS HB2 1 51 THR MG 1.800 . 5.000 3.671 2.092 5.023 0.023 11 0 "[ . 1 . 2]" 1
628 1 43 LYS QB 1 51 THR MG 1.800 . 3.500 2.954 2.065 3.696 0.196 16 0 "[ . 1 . 2]" 1
629 1 44 ASP H 1 44 ASP QB 1.800 . 3.500 2.661 2.385 3.245 . 0 0 "[ . 1 . 2]" 1
630 1 44 ASP HA 1 45 CYS H 1.800 . 3.500 2.404 2.271 2.533 . 0 0 "[ . 1 . 2]" 1
631 1 44 ASP HB3 1 45 CYS H 1.800 . 5.000 2.968 2.261 3.834 . 0 0 "[ . 1 . 2]" 1
632 1 44 ASP HB2 1 45 CYS H 1.800 . 5.000 3.105 2.197 3.884 . 0 0 "[ . 1 . 2]" 1
633 1 44 ASP QB 1 45 CYS H 1.800 . 3.500 2.374 2.181 2.685 . 0 0 "[ . 1 . 2]" 1
634 1 44 ASP HB3 1 49 LYS HA 1.800 . 5.000 2.880 1.861 4.255 . 0 0 "[ . 1 . 2]" 1
635 1 44 ASP HB2 1 49 LYS HA 1.800 . 5.000 3.025 1.922 4.111 . 0 0 "[ . 1 . 2]" 1
636 1 44 ASP QB 1 49 LYS HA 1.800 . 5.000 2.217 1.851 2.837 . 0 0 "[ . 1 . 2]" 1
637 1 44 ASP QB 1 50 THR H 1.800 . 5.000 4.199 3.697 4.679 . 0 0 "[ . 1 . 2]" 1
638 1 44 ASP HA 1 51 THR HA 1.800 . 3.500 2.285 1.829 2.917 . 0 0 "[ . 1 . 2]" 1
639 1 44 ASP HB3 1 51 THR HA 1.800 . 5.000 4.006 2.616 4.725 . 0 0 "[ . 1 . 2]" 1
640 1 44 ASP HB2 1 51 THR HA 1.800 . 5.000 4.579 3.282 5.210 0.210 15 0 "[ . 1 . 2]" 1
641 1 44 ASP QB 1 51 THR HA 1.800 . 5.000 3.741 2.519 4.161 . 0 0 "[ . 1 . 2]" 1
642 1 44 ASP HA 1 51 THR MG 1.800 . 5.000 3.942 3.326 4.642 . 0 0 "[ . 1 . 2]" 1
643 1 44 ASP HA 1 52 ILE QG 1.800 . 5.000 2.863 1.975 3.298 . 0 0 "[ . 1 . 2]" 1
644 1 44 ASP HA 1 52 ILE H 1.800 . 5.000 2.881 2.385 3.330 . 0 0 "[ . 1 . 2]" 1
645 1 45 CYS H 1 45 CYS HB3 1.800 . 3.500 2.530 2.311 3.602 0.102 8 0 "[ . 1 . 2]" 1
646 1 45 CYS H 1 45 CYS HB2 1.800 . 3.500 2.720 2.348 2.862 . 0 0 "[ . 1 . 2]" 1
647 1 45 CYS HA 1 46 PHE H 1.800 . 3.500 2.709 2.200 3.020 . 0 0 "[ . 1 . 2]" 1
648 1 45 CYS QB 1 48 CYS H 1.800 . 5.000 3.783 2.236 5.037 0.037 10 0 "[ . 1 . 2]" 1
649 1 45 CYS HB3 1 49 LYS HA 1.800 . 5.000 3.946 3.698 4.684 . 0 0 "[ . 1 . 2]" 1
650 1 45 CYS HB2 1 49 LYS HA 1.800 . 5.000 4.898 3.185 5.178 0.178 2 0 "[ . 1 . 2]" 1
651 1 45 CYS QB 1 49 LYS HA 1.800 . 5.000 3.699 3.132 3.920 . 0 0 "[ . 1 . 2]" 1
652 1 45 CYS H 1 49 LYS HA 1.800 . 5.000 2.829 2.473 3.780 . 0 0 "[ . 1 . 2]" 1
653 1 45 CYS QB 1 49 LYS H 1.800 . 5.000 3.314 2.187 3.824 . 0 0 "[ . 1 . 2]" 1
654 1 45 CYS HB3 1 50 THR HB 1.800 . 5.000 2.882 2.119 5.058 0.058 8 0 "[ . 1 . 2]" 1
655 1 45 CYS HB2 1 50 THR HB 1.800 . 5.000 3.163 2.392 3.871 . 0 0 "[ . 1 . 2]" 1
656 1 45 CYS QB 1 50 THR H 1.800 . 3.500 2.440 2.097 2.948 . 0 0 "[ . 1 . 2]" 1
657 1 45 CYS H 1 50 THR H 1.800 . 5.000 3.237 2.944 3.677 . 0 0 "[ . 1 . 2]" 1
658 1 45 CYS H 1 51 THR HA 1.800 . 5.000 3.902 3.241 4.399 . 0 0 "[ . 1 . 2]" 1
659 1 45 CYS HA 1 52 ILE MD 1.800 . 3.500 2.245 1.890 3.319 . 0 0 "[ . 1 . 2]" 1
660 1 45 CYS QB 1 52 ILE MD 1.800 . 5.000 3.129 2.290 4.808 . 0 0 "[ . 1 . 2]" 1
661 1 45 CYS HA 1 52 ILE QG 1.800 . 5.000 3.234 2.549 3.945 . 0 0 "[ . 1 . 2]" 1
662 1 45 CYS QB 1 52 ILE QG 1.800 . 5.000 3.017 1.983 4.702 . 0 0 "[ . 1 . 2]" 1
663 1 45 CYS H 1 52 ILE QG 1.800 . 5.000 3.474 3.061 4.110 . 0 0 "[ . 1 . 2]" 1
664 1 46 PHE HA 1 46 PHE QD 1.800 . 5.000 3.044 2.399 3.189 . 0 0 "[ . 1 . 2]" 1
665 1 46 PHE H 1 46 PHE QD 1.800 . 5.000 2.923 1.933 3.446 . 0 0 "[ . 1 . 2]" 1
666 1 46 PHE QB 1 47 PHE HA 1.800 . 5.000 3.743 3.511 4.441 . 0 0 "[ . 1 . 2]" 1
667 1 46 PHE HB3 1 47 PHE H 1.800 . 5.000 2.982 2.645 4.545 . 0 0 "[ . 1 . 2]" 1
668 1 46 PHE HB2 1 47 PHE H 1.800 . 5.000 2.249 1.944 4.154 . 0 0 "[ . 1 . 2]" 1
669 1 46 PHE QB 1 47 PHE H 1.800 . 5.000 2.180 1.916 3.848 . 0 0 "[ . 1 . 2]" 1
670 1 46 PHE QD 1 47 PHE H 1.800 . 5.000 4.110 3.858 4.926 . 0 0 "[ . 1 . 2]" 1
671 1 46 PHE H 1 47 PHE H 1.800 . 5.000 3.870 2.646 4.183 . 0 0 "[ . 1 . 2]" 1
672 1 46 PHE H 1 52 ILE MD 1.800 . 5.000 4.105 3.657 4.825 . 0 0 "[ . 1 . 2]" 1
673 1 47 PHE HA 1 47 PHE QD 1.800 . 5.000 2.773 2.582 2.943 . 0 0 "[ . 1 . 2]" 1
674 1 47 PHE H 1 47 PHE QD 1.800 . 5.000 2.566 2.245 3.357 . 0 0 "[ . 1 . 2]" 1
675 1 47 PHE HB3 1 48 CYS H 1.800 . 5.000 3.695 3.066 4.388 . 0 0 "[ . 1 . 2]" 1
676 1 47 PHE HB2 1 48 CYS H 1.800 . 5.000 2.590 1.844 4.217 . 0 0 "[ . 1 . 2]" 1
677 1 47 PHE QB 1 48 CYS H 1.800 . 3.500 2.528 1.830 3.827 0.327 10 0 "[ . 1 . 2]" 1
678 1 47 PHE H 1 48 CYS H 1.800 . 3.500 2.678 2.447 3.225 . 0 0 "[ . 1 . 2]" 1
679 1 47 PHE H 1 49 LYS H 1.800 . 5.000 3.568 2.438 4.032 . 0 0 "[ . 1 . 2]" 1
680 1 48 CYS H 1 49 LYS H 1.800 . 3.500 2.216 1.730 2.513 0.070 1 0 "[ . 1 . 2]" 1
681 1 49 LYS HA 1 49 LYS QD 1.800 . 5.000 3.782 2.028 4.289 . 0 0 "[ . 1 . 2]" 1
682 1 49 LYS QB 1 49 LYS QD 1.800 . 5.000 2.339 2.150 2.769 . 0 0 "[ . 1 . 2]" 1
683 1 49 LYS H 1 49 LYS QD 1.800 . 5.000 4.472 2.349 5.381 0.381 13 0 "[ . 1 . 2]" 1
684 1 49 LYS H 1 49 LYS HG3 1.800 . 5.000 3.815 2.868 5.168 0.168 3 0 "[ . 1 . 2]" 1
685 1 49 LYS H 1 49 LYS HG2 1.800 . 5.000 4.147 3.034 4.966 . 0 0 "[ . 1 . 2]" 1
686 1 49 LYS QB 1 50 THR H 1.800 . 5.000 3.703 3.071 3.913 . 0 0 "[ . 1 . 2]" 1
687 1 50 THR H 1 50 THR HB 1.800 . 3.500 2.599 2.470 2.740 . 0 0 "[ . 1 . 2]" 1
688 1 50 THR H 1 50 THR HG1 1.800 . 5.000 3.178 2.857 3.748 . 0 0 "[ . 1 . 2]" 1
689 1 50 THR HA 1 50 THR MG 1.800 . 3.500 2.447 2.366 2.544 . 0 0 "[ . 1 . 2]" 1
690 1 50 THR H 1 50 THR MG 1.800 . 5.000 3.803 3.754 3.842 . 0 0 "[ . 1 . 2]" 1
691 1 50 THR HA 1 51 THR H 1.800 . 3.500 2.221 2.160 2.340 . 0 0 "[ . 1 . 2]" 1
692 1 50 THR MG 1 51 THR H 1.800 . 3.500 2.789 2.299 3.088 . 0 0 "[ . 1 . 2]" 1
693 1 50 THR H 1 51 THR H 1.800 . 5.000 4.568 4.474 4.675 . 0 0 "[ . 1 . 2]" 1
694 1 51 THR H 1 51 THR HB 1.800 . 3.500 2.631 2.536 2.740 . 0 0 "[ . 1 . 2]" 1
695 1 51 THR HA 1 51 THR MG 1.800 . 3.500 2.426 2.373 2.500 . 0 0 "[ . 1 . 2]" 1
696 1 51 THR H 1 51 THR MG 1.800 . 5.000 3.804 3.783 3.826 . 0 0 "[ . 1 . 2]" 1
697 1 51 THR HA 1 52 ILE H 1.800 . 3.500 2.168 2.109 2.216 . 0 0 "[ . 1 . 2]" 1
698 1 51 THR HB 1 52 ILE H 1.800 . 5.000 4.204 4.083 4.340 . 0 0 "[ . 1 . 2]" 1
699 1 51 THR MG 1 52 ILE H 1.800 . 3.500 2.803 2.541 3.088 . 0 0 "[ . 1 . 2]" 1
700 1 52 ILE H 1 52 ILE HB 1.800 . 3.500 2.600 2.518 2.677 . 0 0 "[ . 1 . 2]" 1
701 1 52 ILE HA 1 52 ILE MD 1.800 . 5.000 3.405 2.079 4.014 . 0 0 "[ . 1 . 2]" 1
702 1 52 ILE MD 1 52 ILE MG 1.800 . 3.500 2.040 1.999 2.156 . 0 0 "[ . 1 . 2]" 1
703 1 52 ILE H 1 52 ILE MD 1.800 . 5.000 3.467 3.195 3.680 . 0 0 "[ . 1 . 2]" 1
704 1 52 ILE HA 1 52 ILE QG 1.800 . 3.500 2.691 2.514 2.996 . 0 0 "[ . 1 . 2]" 1
705 1 52 ILE QG 1 52 ILE MG 1.800 . 3.500 2.358 2.314 2.380 . 0 0 "[ . 1 . 2]" 1
706 1 52 ILE H 1 52 ILE QG 1.800 . 3.500 2.087 1.867 2.206 . 0 0 "[ . 1 . 2]" 1
707 1 52 ILE HG13 1 52 ILE MG 1.800 . 5.000 3.006 2.403 3.262 . 0 0 "[ . 1 . 2]" 1
708 1 52 ILE HG12 1 52 ILE MG 1.800 . 5.000 2.669 2.368 3.255 . 0 0 "[ . 1 . 2]" 1
709 1 52 ILE HA 1 52 ILE MG 1.800 . 3.500 2.421 2.357 2.498 . 0 0 "[ . 1 . 2]" 1
710 1 52 ILE HA 1 53 VAL H 1.800 . 3.500 2.182 2.150 2.224 . 0 0 "[ . 1 . 2]" 1
711 1 52 ILE MG 1 53 VAL H 1.800 . 5.000 2.931 2.571 3.380 . 0 0 "[ . 1 . 2]" 1
712 1 52 ILE MG 1 54 SER HA 1.800 . 5.000 3.334 2.945 3.595 . 0 0 "[ . 1 . 2]" 1
713 1 52 ILE HA 1 54 SER H 1.800 . 5.000 3.888 3.510 4.227 . 0 0 "[ . 1 . 2]" 1
714 1 52 ILE MG 1 54 SER H 1.800 . 3.500 2.559 2.159 3.254 . 0 0 "[ . 1 . 2]" 1
715 1 52 ILE MG 1 55 VAL HA 1.800 . 5.000 3.336 2.734 4.262 . 0 0 "[ . 1 . 2]" 1
716 1 52 ILE MD 1 55 VAL MG2 1.800 . 5.000 2.566 2.087 3.019 . 0 0 "[ . 1 . 2]" 1
717 1 52 ILE MG 1 55 VAL MG2 1.800 . 3.500 1.882 1.762 2.284 0.038 17 0 "[ . 1 . 2]" 1
718 1 52 ILE MG 1 55 VAL H 1.800 . 5.000 3.529 2.850 3.940 . 0 0 "[ . 1 . 2]" 1
719 1 52 ILE MG 1 56 GLU H 1.800 . 6.000 4.993 4.320 6.066 0.066 15 0 "[ . 1 . 2]" 1
720 1 53 VAL H 1 53 VAL HB 1.800 . 3.500 2.523 2.437 2.611 . 0 0 "[ . 1 . 2]" 1
721 1 53 VAL HA 1 53 VAL MG1 1.800 . 3.500 2.478 2.415 2.547 . 0 0 "[ . 1 . 2]" 1
722 1 53 VAL H 1 53 VAL MG2 1.800 . 3.500 2.251 2.103 2.425 . 0 0 "[ . 1 . 2]" 1
723 1 53 VAL MG1 1 54 SER HA 1.800 . 6.000 4.261 3.831 4.589 . 0 0 "[ . 1 . 2]" 1
724 1 53 VAL MG1 1 54 SER QB 1.800 . 5.000 3.171 2.653 3.938 . 0 0 "[ . 1 . 2]" 1
725 1 53 VAL HB 1 54 SER H 1.800 . 3.500 2.600 2.276 2.961 . 0 0 "[ . 1 . 2]" 1
726 1 53 VAL MG1 1 54 SER H 1.800 . 5.000 3.492 3.198 3.706 . 0 0 "[ . 1 . 2]" 1
727 1 53 VAL MG2 1 54 SER H 1.800 . 5.000 3.828 3.664 4.019 . 0 0 "[ . 1 . 2]" 1
728 1 53 VAL H 1 54 SER H 1.800 . 3.500 2.465 2.169 2.640 . 0 0 "[ . 1 . 2]" 1
729 1 54 SER HA 1 55 VAL MG2 1.800 . 5.000 3.639 3.429 3.949 . 0 0 "[ . 1 . 2]" 1
730 1 54 SER HA 1 55 VAL H 1.800 . 3.500 2.208 2.144 2.320 . 0 0 "[ . 1 . 2]" 1
731 1 54 SER HB3 1 55 VAL H 1.800 . 5.000 3.842 2.837 4.233 . 0 0 "[ . 1 . 2]" 1
732 1 54 SER HB2 1 55 VAL H 1.800 . 5.000 3.868 3.133 4.274 . 0 0 "[ . 1 . 2]" 1
733 1 54 SER QB 1 55 VAL H 1.800 . 5.000 3.339 2.771 3.784 . 0 0 "[ . 1 . 2]" 1
734 1 55 VAL H 1 55 VAL HB 1.800 . 3.500 2.664 2.548 2.781 . 0 0 "[ . 1 . 2]" 1
735 1 55 VAL HA 1 55 VAL MG1 1.800 . 3.500 2.422 2.354 2.464 . 0 0 "[ . 1 . 2]" 1
736 1 55 VAL H 1 55 VAL MG1 1.800 . 5.000 3.896 3.831 3.955 . 0 0 "[ . 1 . 2]" 1
737 1 55 VAL HA 1 55 VAL MG2 1.800 . 3.500 2.525 2.473 2.578 . 0 0 "[ . 1 . 2]" 1
738 1 55 VAL H 1 55 VAL MG2 1.800 . 3.500 2.505 2.278 2.832 . 0 0 "[ . 1 . 2]" 1
739 1 55 VAL HA 1 56 GLU H 1.800 . 3.500 2.177 2.145 2.224 . 0 0 "[ . 1 . 2]" 1
740 1 55 VAL MG1 1 56 GLU H 1.800 . 3.500 3.141 2.727 3.326 . 0 0 "[ . 1 . 2]" 1
741 1 55 VAL MG2 1 56 GLU H 1.800 . 5.000 4.300 4.160 4.381 . 0 0 "[ . 1 . 2]" 1
742 1 55 VAL H 1 56 GLU H 1.800 . 5.000 4.219 4.065 4.397 . 0 0 "[ . 1 . 2]" 1
743 1 56 GLU H 1 56 GLU QB 1.800 . 3.500 2.448 2.276 2.567 . 0 0 "[ . 1 . 2]" 1
744 1 56 GLU H 1 56 GLU QG 1.800 . 5.000 3.137 2.407 4.113 . 0 0 "[ . 1 . 2]" 1
745 1 56 GLU HA 1 57 ASP H 1.800 . 3.500 2.306 2.125 2.579 . 0 0 "[ . 1 . 2]" 1
746 1 56 GLU QB 1 57 ASP H 1.800 . 3.500 2.845 1.991 3.591 0.091 4 0 "[ . 1 . 2]" 1
747 1 56 GLU QG 1 57 ASP H 1.800 . 5.000 3.882 2.252 4.572 . 0 0 "[ . 1 . 2]" 1
748 1 57 ASP H 1 57 ASP QB 1.800 . 3.500 2.451 2.229 2.688 . 0 0 "[ . 1 . 2]" 1
749 1 57 ASP HA 1 58 TRP H 1.800 . 3.500 2.223 2.136 2.404 . 0 0 "[ . 1 . 2]" 1
750 1 57 ASP HB3 1 58 TRP H 1.800 . 5.000 3.907 2.425 4.540 . 0 0 "[ . 1 . 2]" 1
751 1 57 ASP HB2 1 58 TRP H 1.800 . 5.000 4.085 2.572 4.548 . 0 0 "[ . 1 . 2]" 1
752 1 57 ASP QB 1 58 TRP H 1.800 . 5.000 3.444 2.389 4.047 . 0 0 "[ . 1 . 2]" 1
753 1 57 ASP H 1 58 TRP H 1.800 . 5.000 4.393 4.204 4.662 . 0 0 "[ . 1 . 2]" 1
754 1 58 TRP H 1 58 TRP QB 1.800 . 3.500 2.399 2.277 2.763 . 0 0 "[ . 1 . 2]" 1
755 1 58 TRP HA 1 58 TRP HD1 1.800 . 5.000 2.900 2.623 3.089 . 0 0 "[ . 1 . 2]" 1
756 1 58 TRP QB 1 58 TRP HD1 1.800 . 3.500 2.750 2.648 2.892 . 0 0 "[ . 1 . 2]" 1
757 1 58 TRP HA 1 58 TRP HE3 1.800 . 5.000 4.774 4.482 5.035 0.035 12 0 "[ . 1 . 2]" 1
758 1 58 TRP QB 1 58 TRP HE3 1.800 . 3.500 2.471 2.388 2.544 . 0 0 "[ . 1 . 2]" 1
759 1 58 TRP HA 1 59 GLU H 1.800 . 3.500 2.163 2.103 2.238 . 0 0 "[ . 1 . 2]" 1
760 1 58 TRP QB 1 59 GLU H 1.800 . 5.000 3.904 3.561 4.044 . 0 0 "[ . 1 . 2]" 1
761 1 58 TRP HH2 1 60 LYS HA 1.800 . 5.000 3.958 3.140 5.123 0.123 12 0 "[ . 1 . 2]" 1
762 1 58 TRP HZ2 1 60 LYS HA 1.800 . 5.000 4.060 3.123 5.088 0.088 16 0 "[ . 1 . 2]" 1
763 1 58 TRP HH2 1 60 LYS QB 1.800 . 5.000 3.468 2.568 5.141 0.141 13 0 "[ . 1 . 2]" 1
764 1 59 GLU H 1 59 GLU QG 1.800 . 5.000 2.937 1.885 4.298 . 0 0 "[ . 1 . 2]" 1
765 1 59 GLU HA 1 60 LYS H 1.800 . 3.500 2.203 2.094 2.342 . 0 0 "[ . 1 . 2]" 1
766 1 59 GLU HB3 1 60 LYS H 1.800 . 5.000 3.617 2.732 4.358 . 0 0 "[ . 1 . 2]" 1
767 1 59 GLU HB2 1 60 LYS H 1.800 . 5.000 4.027 2.665 4.411 . 0 0 "[ . 1 . 2]" 1
768 1 59 GLU QB 1 60 LYS H 1.800 . 5.000 3.275 2.620 3.899 . 0 0 "[ . 1 . 2]" 1
769 1 59 GLU QG 1 60 LYS H 1.800 . 5.000 3.916 2.767 4.668 . 0 0 "[ . 1 . 2]" 1
770 1 60 LYS HA 1 60 LYS QD 1.800 . 5.000 3.990 2.099 4.626 . 0 0 "[ . 1 . 2]" 1
771 1 60 LYS H 1 60 LYS QG 1.800 . 5.000 2.855 1.986 4.436 . 0 0 "[ . 1 . 2]" 1
772 1 60 LYS HA 1 61 GLY H 1.800 . 3.500 2.925 2.149 3.567 0.067 13 0 "[ . 1 . 2]" 1
773 1 60 LYS HB3 1 61 GLY H 1.800 . 5.000 3.827 2.279 4.593 . 0 0 "[ . 1 . 2]" 1
774 1 60 LYS HB2 1 61 GLY H 1.800 . 5.000 3.626 2.181 4.532 . 0 0 "[ . 1 . 2]" 1
775 1 60 LYS QD 1 61 GLY H 1.800 . 6.000 4.568 2.424 6.033 0.033 10 0 "[ . 1 . 2]" 1
776 1 60 LYS QG 1 61 GLY H 1.800 . 5.000 3.667 2.604 4.829 . 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 32
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 32.812
_Distance_constraint_stats_list.Viol_max 0.130
_Distance_constraint_stats_list.Viol_rms 0.0129
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0410
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 CYS 0.014 0.014 5 0 "[ . 1 . 2]"
1 15 TYR 0.014 0.014 5 0 "[ . 1 . 2]"
1 17 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.246 0.070 5 0 "[ . 1 . 2]"
1 22 VAL 0.401 0.130 9 0 "[ . 1 . 2]"
1 23 PHE 0.101 0.053 14 0 "[ . 1 . 2]"
1 24 GLN 0.347 0.104 17 0 "[ . 1 . 2]"
1 27 GLY 0.101 0.053 14 0 "[ . 1 . 2]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.246 0.070 5 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 0.265 0.101 8 0 "[ . 1 . 2]"
1 34 CYS 0.034 0.034 18 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.265 0.101 8 0 "[ . 1 . 2]"
1 38 HIS 0.034 0.034 18 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.191 0.103 2 0 "[ . 1 . 2]"
1 45 CYS 0.043 0.026 12 0 "[ . 1 . 2]"
1 50 THR 0.043 0.026 12 0 "[ . 1 . 2]"
1 52 ILE 0.191 0.103 2 0 "[ . 1 . 2]"
1 54 SER 0.347 0.104 17 0 "[ . 1 . 2]"
1 56 GLU 0.401 0.130 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 CYS H 1 17 HIS O 2.000 . 2.300 2.112 1.997 2.255 . 0 0 "[ . 1 . 2]" 2
2 1 11 CYS N 1 17 HIS O 3.000 2.700 3.300 3.040 2.876 3.212 . 0 0 "[ . 1 . 2]" 2
3 1 11 CYS O 1 15 TYR H 2.000 . 2.300 1.954 1.861 2.032 . 0 0 "[ . 1 . 2]" 2
4 1 11 CYS O 1 15 TYR N 3.000 2.700 3.300 2.790 2.686 2.924 0.014 5 0 "[ . 1 . 2]" 2
5 1 21 ALA H 1 30 SER O 2.000 . 2.300 2.181 1.982 2.345 0.045 6 0 "[ . 1 . 2]" 2
6 1 21 ALA N 1 30 SER O 3.000 2.700 3.300 2.948 2.826 3.104 . 0 0 "[ . 1 . 2]" 2
7 1 22 VAL H 1 56 GLU O 2.000 . 2.300 2.018 1.934 2.328 0.028 2 0 "[ . 1 . 2]" 2
8 1 22 VAL N 1 56 GLU O 3.000 2.700 3.300 2.922 2.794 3.238 . 0 0 "[ . 1 . 2]" 2
9 1 23 PHE H 1 28 HIS O 2.000 . 2.300 2.004 1.908 2.074 . 0 0 "[ . 1 . 2]" 2
10 1 23 PHE N 1 28 HIS O 3.000 2.700 3.300 2.930 2.838 2.999 . 0 0 "[ . 1 . 2]" 2
11 1 24 GLN H 1 54 SER O 2.000 . 2.300 2.197 2.018 2.404 0.104 17 0 "[ . 1 . 2]" 2
12 1 24 GLN N 1 54 SER O 3.000 2.700 3.300 2.980 2.758 3.220 . 0 0 "[ . 1 . 2]" 2
13 1 23 PHE O 1 27 GLY H 2.000 . 2.300 2.160 2.018 2.353 0.053 14 0 "[ . 1 . 2]" 2
14 1 23 PHE O 1 27 GLY N 3.000 2.700 3.300 3.095 2.938 3.240 . 0 0 "[ . 1 . 2]" 2
15 1 21 ALA O 1 30 SER H 2.000 . 2.300 2.177 2.048 2.370 0.070 5 0 "[ . 1 . 2]" 2
16 1 21 ALA O 1 30 SER N 3.000 2.700 3.300 3.119 2.968 3.285 . 0 0 "[ . 1 . 2]" 2
17 1 32 LYS O 1 36 ASN H 2.000 . 2.300 2.100 1.966 2.293 . 0 0 "[ . 1 . 2]" 2
18 1 32 LYS O 1 36 ASN N 3.000 2.700 3.300 3.016 2.861 3.267 . 0 0 "[ . 1 . 2]" 2
19 1 33 ALA O 1 37 GLN H 2.000 . 2.300 2.246 2.110 2.401 0.101 8 0 "[ . 1 . 2]" 2
20 1 33 ALA O 1 37 GLN N 3.000 2.700 3.300 3.171 3.034 3.340 0.040 8 0 "[ . 1 . 2]" 2
21 1 34 CYS O 1 38 HIS H 2.000 . 2.300 2.148 2.042 2.334 0.034 18 0 "[ . 1 . 2]" 2
22 1 34 CYS O 1 38 HIS N 3.000 2.700 3.300 2.920 2.814 3.145 . 0 0 "[ . 1 . 2]" 2
23 1 35 ILE O 1 39 LEU H 2.000 . 2.300 2.023 1.973 2.068 . 0 0 "[ . 1 . 2]" 2
24 1 35 ILE O 1 39 LEU N 3.000 2.700 3.300 2.866 2.775 2.954 . 0 0 "[ . 1 . 2]" 2
25 1 38 HIS O 1 42 ASN H 2.000 . 2.300 2.027 1.916 2.173 . 0 0 "[ . 1 . 2]" 2
26 1 38 HIS O 1 42 ASN N 3.000 2.700 3.300 2.818 2.720 2.978 . 0 0 "[ . 1 . 2]" 2
27 1 45 CYS H 1 50 THR O 2.000 . 2.300 2.215 2.081 2.326 0.026 12 0 "[ . 1 . 2]" 2
28 1 45 CYS N 1 50 THR O 3.000 2.700 3.300 2.870 2.708 3.089 . 0 0 "[ . 1 . 2]" 2
29 1 43 LYS O 1 52 ILE H 2.000 . 2.300 2.130 1.940 2.403 0.103 2 0 "[ . 1 . 2]" 2
30 1 43 LYS O 1 52 ILE N 3.000 2.700 3.300 3.077 2.875 3.321 0.021 11 0 "[ . 1 . 2]" 2
31 1 22 VAL O 1 56 GLU H 2.000 . 2.300 2.211 1.993 2.430 0.130 9 0 "[ . 1 . 2]" 2
32 1 22 VAL O 1 56 GLU N 3.000 2.700 3.300 3.093 2.936 3.254 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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