NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550803 |
2lq6   |
18296 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lq6
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 721
_Distance_constraint_stats_list.Viol_count 1036
_Distance_constraint_stats_list.Viol_total 255.001
_Distance_constraint_stats_list.Viol_max 0.115
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0123
_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 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.066 0.018 13 0 "[ . 1 . 2]"
1 11 ILE 0.140 0.018 13 0 "[ . 1 . 2]"
1 12 PRO 0.010 0.004 2 0 "[ . 1 . 2]"
1 13 PRO 0.080 0.014 20 0 "[ . 1 . 2]"
1 14 ALA 0.464 0.051 3 0 "[ . 1 . 2]"
1 15 ARG 0.504 0.051 3 0 "[ . 1 . 2]"
1 16 TRP 0.374 0.056 7 0 "[ . 1 . 2]"
1 17 LYS 0.456 0.036 8 0 "[ . 1 . 2]"
1 18 LEU 0.149 0.020 17 0 "[ . 1 . 2]"
1 19 THR 0.268 0.029 20 0 "[ . 1 . 2]"
1 20 CYS 0.124 0.021 15 0 "[ . 1 . 2]"
1 21 TYR 0.160 0.016 17 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.044 0.013 2 0 "[ . 1 . 2]"
1 24 LYS 0.343 0.028 5 0 "[ . 1 . 2]"
1 25 GLN 1.107 0.048 15 0 "[ . 1 . 2]"
1 26 LYS 0.549 0.048 15 0 "[ . 1 . 2]"
1 27 GLY 0.023 0.011 19 0 "[ . 1 . 2]"
1 28 VAL 0.069 0.012 20 0 "[ . 1 . 2]"
1 29 GLY 0.170 0.018 12 0 "[ . 1 . 2]"
1 30 ALA 0.149 0.015 2 0 "[ . 1 . 2]"
1 31 SER 0.067 0.015 18 0 "[ . 1 . 2]"
1 32 ILE 0.018 0.006 8 0 "[ . 1 . 2]"
1 33 GLN 1.681 0.074 3 0 "[ . 1 . 2]"
1 34 CYS 0.240 0.024 3 0 "[ . 1 . 2]"
1 35 HIS 0.472 0.040 4 0 "[ . 1 . 2]"
1 36 LYS 0.575 0.031 9 0 "[ . 1 . 2]"
1 37 ALA 0.185 0.028 20 0 "[ . 1 . 2]"
1 38 ASN 0.034 0.013 14 0 "[ . 1 . 2]"
1 39 CYS 0.020 0.007 10 0 "[ . 1 . 2]"
1 40 TYR 0.190 0.015 12 0 "[ . 1 . 2]"
1 41 THR 0.169 0.015 12 0 "[ . 1 . 2]"
1 42 ALA 0.018 0.008 2 0 "[ . 1 . 2]"
1 43 PHE 0.170 0.010 15 0 "[ . 1 . 2]"
1 44 HIS 0.361 0.018 12 0 "[ . 1 . 2]"
1 45 VAL 0.021 0.005 14 0 "[ . 1 . 2]"
1 46 THR 0.023 0.008 10 0 "[ . 1 . 2]"
1 47 CYS 0.013 0.007 5 0 "[ . 1 . 2]"
1 48 ALA 0.090 0.010 16 0 "[ . 1 . 2]"
1 49 GLN 0.003 0.003 10 0 "[ . 1 . 2]"
1 50 LYS 0.077 0.010 19 0 "[ . 1 . 2]"
1 51 ALA 0.136 0.010 16 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.074 0.018 13 0 "[ . 1 . 2]"
1 54 TYR 0.111 0.010 19 0 "[ . 1 . 2]"
1 55 MET 0.079 0.011 19 0 "[ . 1 . 2]"
1 56 LYS 0.112 0.015 18 0 "[ . 1 . 2]"
1 57 MET 0.860 0.049 19 0 "[ . 1 . 2]"
1 58 GLU 0.676 0.049 19 0 "[ . 1 . 2]"
1 59 PRO 0.159 0.034 18 0 "[ . 1 . 2]"
1 60 VAL 0.418 0.039 16 0 "[ . 1 . 2]"
1 61 LYS 0.169 0.022 6 0 "[ . 1 . 2]"
1 62 GLU 0.248 0.022 6 0 "[ . 1 . 2]"
1 63 LEU 1.119 0.068 2 0 "[ . 1 . 2]"
1 64 THR 0.489 0.048 9 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.186 0.048 9 0 "[ . 1 . 2]"
1 69 THR 2.236 0.115 5 0 "[ . 1 . 2]"
1 70 PHE 2.282 0.115 5 0 "[ . 1 . 2]"
1 71 SER 0.357 0.039 16 0 "[ . 1 . 2]"
1 72 VAL 0.436 0.028 13 0 "[ . 1 . 2]"
1 73 ARG 0.510 0.028 13 0 "[ . 1 . 2]"
1 74 LYS 0.422 0.019 15 0 "[ . 1 . 2]"
1 75 THR 0.190 0.012 20 0 "[ . 1 . 2]"
1 76 ALA 0.178 0.011 19 0 "[ . 1 . 2]"
1 77 TYR 0.287 0.031 9 0 "[ . 1 . 2]"
1 78 CYS 0.380 0.040 4 0 "[ . 1 . 2]"
1 79 ASP 0.145 0.018 13 0 "[ . 1 . 2]"
1 80 VAL 0.121 0.029 17 0 "[ . 1 . 2]"
1 81 HIS 0.002 0.002 2 0 "[ . 1 . 2]"
1 82 THR 0.021 0.006 6 0 "[ . 1 . 2]"
1 83 PRO 0.198 0.034 19 0 "[ . 1 . 2]"
1 84 PRO 0.169 0.029 17 0 "[ . 1 . 2]"
1 85 GLY 0.058 0.016 18 0 "[ . 1 . 2]"
1 86 SER 0.005 0.005 9 0 "[ . 1 . 2]"
1 87 THR 0.203 0.034 19 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 9 MET HA 1 10 ASN H 1.800 . 5.000 2.638 2.077 3.576 . 0 0 "[ . 1 . 2]" 1
2 1 10 ASN HA 1 11 ILE H 1.800 . 5.000 2.690 2.117 3.549 . 0 0 "[ . 1 . 2]" 1
3 1 10 ASN QB 1 11 ILE H 1.800 . 5.000 3.049 1.799 4.028 0.001 13 0 "[ . 1 . 2]" 1
4 1 14 ALA H 1 14 ALA MB 1.800 . 5.000 2.631 2.494 2.832 . 0 0 "[ . 1 . 2]" 1
5 1 13 PRO HA 1 14 ALA H 1.800 . 4.000 2.560 2.138 3.576 . 0 0 "[ . 1 . 2]" 1
6 1 13 PRO HB3 1 14 ALA H 1.800 . 5.000 4.051 3.211 4.665 . 0 0 "[ . 1 . 2]" 1
7 1 13 PRO HB2 1 14 ALA H 1.800 . 5.000 3.666 1.796 4.349 0.004 12 0 "[ . 1 . 2]" 1
8 1 13 PRO QB 1 14 ALA H 1.800 . 5.000 3.355 1.787 3.998 0.013 12 0 "[ . 1 . 2]" 1
9 1 13 PRO QG 1 14 ALA H 1.800 . 5.000 4.360 3.333 4.975 . 0 0 "[ . 1 . 2]" 1
10 1 15 ARG H 1 15 ARG QG 1.800 . 5.000 3.509 1.929 4.189 . 0 0 "[ . 1 . 2]" 1
11 1 14 ALA HA 1 15 ARG H 1.800 . 3.000 2.795 2.167 3.024 0.024 3 0 "[ . 1 . 2]" 1
12 1 14 ALA MB 1 15 ARG H 1.800 . 4.000 3.579 3.350 3.713 . 0 0 "[ . 1 . 2]" 1
13 1 16 TRP H 1 16 TRP QB 1.800 . 3.000 2.699 2.322 3.056 0.056 7 0 "[ . 1 . 2]" 1
14 1 15 ARG HA 1 16 TRP H 1.800 . 4.000 2.769 2.151 3.549 . 0 0 "[ . 1 . 2]" 1
15 1 15 ARG QB 1 16 TRP H 1.800 . 5.000 3.625 1.973 4.049 . 0 0 "[ . 1 . 2]" 1
16 1 16 TRP HA 1 17 LYS H 1.800 . 2.600 2.436 2.199 2.636 0.036 8 0 "[ . 1 . 2]" 1
17 1 16 TRP QB 1 17 LYS H 1.800 . 4.000 3.874 3.745 4.007 0.007 19 0 "[ . 1 . 2]" 1
18 1 16 TRP HD1 1 17 LYS H 1.800 . 5.000 4.571 3.540 5.016 0.016 20 0 "[ . 1 . 2]" 1
19 1 17 LYS H 1 17 LYS HA 1.800 . 3.000 2.737 2.259 2.953 . 0 0 "[ . 1 . 2]" 1
20 1 17 LYS H 1 17 LYS HB2 1.800 . 4.000 2.929 2.293 3.644 . 0 0 "[ . 1 . 2]" 1
21 1 17 LYS H 1 17 LYS QG 1.800 . 4.000 3.003 1.790 4.015 0.015 14 0 "[ . 1 . 2]" 1
22 1 17 LYS HB3 1 18 LEU H 1.800 . 5.000 3.537 1.829 4.577 . 0 0 "[ . 1 . 2]" 1
23 1 17 LYS HB2 1 18 LEU H 1.800 . 5.000 3.961 2.439 4.592 . 0 0 "[ . 1 . 2]" 1
24 1 17 LYS QB 1 18 LEU H 1.800 . 5.000 3.221 1.780 4.024 0.020 17 0 "[ . 1 . 2]" 1
25 1 18 LEU H 1 18 LEU QB 1.800 . 5.000 2.685 2.289 3.420 . 0 0 "[ . 1 . 2]" 1
26 1 18 LEU H 1 18 LEU HG 1.800 . 5.000 3.078 1.833 4.142 . 0 0 "[ . 1 . 2]" 1
27 1 18 LEU H 1 18 LEU QD 1.800 . 3.500 2.332 1.793 3.132 0.007 11 0 "[ . 1 . 2]" 1
28 1 18 LEU HA 1 19 THR H 1.800 . 5.000 2.238 2.079 2.877 . 0 0 "[ . 1 . 2]" 1
29 1 18 LEU HB3 1 19 THR H 1.800 . 5.000 3.702 2.123 4.480 . 0 0 "[ . 1 . 2]" 1
30 1 18 LEU HB2 1 19 THR H 1.800 . 5.000 3.893 2.999 4.466 . 0 0 "[ . 1 . 2]" 1
31 1 18 LEU QB 1 19 THR H 1.800 . 5.000 3.249 2.102 3.821 . 0 0 "[ . 1 . 2]" 1
32 1 19 THR H 1 19 THR MG 1.800 . 5.000 3.813 3.762 3.889 . 0 0 "[ . 1 . 2]" 1
33 1 19 THR HA 1 20 CYS H 1.800 . 2.500 2.137 2.057 2.294 . 0 0 "[ . 1 . 2]" 1
34 1 19 THR HB 1 20 CYS H 1.800 . 4.000 3.970 3.617 4.021 0.021 15 0 "[ . 1 . 2]" 1
35 1 19 THR MG 1 20 CYS H 1.800 . 4.000 2.503 1.996 2.669 . 0 0 "[ . 1 . 2]" 1
36 1 20 CYS H 1 20 CYS HB3 1.800 . 3.000 2.312 2.160 2.474 . 0 0 "[ . 1 . 2]" 1
37 1 20 CYS H 1 20 CYS HB2 1.800 . 3.000 2.792 2.450 2.924 . 0 0 "[ . 1 . 2]" 1
38 1 20 CYS H 1 21 TYR H 1.800 . 6.000 4.416 4.287 4.615 . 0 0 "[ . 1 . 2]" 1
39 1 20 CYS HA 1 21 TYR H 1.800 . 3.000 2.189 2.139 2.310 . 0 0 "[ . 1 . 2]" 1
40 1 20 CYS HB3 1 21 TYR H 1.800 . 5.000 4.398 3.915 4.493 . 0 0 "[ . 1 . 2]" 1
41 1 20 CYS HB2 1 21 TYR H 1.800 . 5.000 4.305 4.139 4.412 . 0 0 "[ . 1 . 2]" 1
42 1 20 CYS QB 1 21 TYR H 1.800 . 5.000 3.873 3.599 3.945 . 0 0 "[ . 1 . 2]" 1
43 1 21 TYR H 1 21 TYR QD 1.800 . 5.000 2.042 1.795 2.302 0.005 17 0 "[ . 1 . 2]" 1
44 1 21 TYR H 1 21 TYR HE1 1.800 . 4.200 4.161 4.001 4.209 0.009 13 0 "[ . 1 . 2]" 1
45 1 21 TYR H 1 21 TYR HE2 1.800 . 6.000 5.942 5.659 6.016 0.016 17 0 "[ . 1 . 2]" 1
46 1 21 TYR HA 1 22 LEU H 1.800 . 4.000 3.474 3.226 3.537 . 0 0 "[ . 1 . 2]" 1
47 1 21 TYR QB 1 22 LEU H 1.800 . 5.000 3.571 3.472 3.912 . 0 0 "[ . 1 . 2]" 1
48 1 21 TYR H 1 22 LEU H 1.800 . 5.000 2.578 2.205 2.774 . 0 0 "[ . 1 . 2]" 1
49 1 22 LEU H 1 22 LEU HB3 1.800 . 4.000 3.540 2.909 3.661 . 0 0 "[ . 1 . 2]" 1
50 1 22 LEU H 1 22 LEU HB2 1.800 . 4.000 2.404 2.131 2.482 . 0 0 "[ . 1 . 2]" 1
51 1 22 LEU H 1 22 LEU QB 1.800 . 4.000 2.366 2.093 2.444 . 0 0 "[ . 1 . 2]" 1
52 1 22 LEU H 1 22 LEU QD 1.800 . 4.000 3.252 1.999 3.806 . 0 0 "[ . 1 . 2]" 1
53 1 22 LEU H 1 23 CYS H 1.800 . 5.000 3.595 2.277 4.235 . 0 0 "[ . 1 . 2]" 1
54 1 22 LEU HA 1 23 CYS H 1.800 . 5.000 2.415 2.120 3.398 . 0 0 "[ . 1 . 2]" 1
55 1 22 LEU HB3 1 23 CYS H 1.800 . 5.000 4.158 3.569 4.368 . 0 0 "[ . 1 . 2]" 1
56 1 22 LEU HB2 1 23 CYS H 1.800 . 5.000 4.371 3.674 4.590 . 0 0 "[ . 1 . 2]" 1
57 1 22 LEU QB 1 23 CYS H 1.800 . 5.000 3.781 3.224 3.947 . 0 0 "[ . 1 . 2]" 1
58 1 22 LEU QD 1 23 CYS H 1.800 . 5.000 3.901 3.325 4.185 . 0 0 "[ . 1 . 2]" 1
59 1 23 CYS H 1 24 LYS HA 1.800 . 5.800 4.383 3.869 4.954 . 0 0 "[ . 1 . 2]" 1
60 1 23 CYS H 1 24 LYS QB 1.800 . 5.000 4.323 3.433 5.008 0.008 16 0 "[ . 1 . 2]" 1
61 1 23 CYS HA 1 24 LYS H 1.800 . 5.000 3.035 2.080 3.547 . 0 0 "[ . 1 . 2]" 1
62 1 23 CYS HB3 1 24 LYS H 1.800 . 5.000 3.339 1.807 4.453 . 0 0 "[ . 1 . 2]" 1
63 1 23 CYS HB2 1 24 LYS H 1.800 . 5.000 3.251 2.008 4.190 . 0 0 "[ . 1 . 2]" 1
64 1 23 CYS QB 1 24 LYS H 1.800 . 4.000 2.737 1.799 3.838 0.001 12 0 "[ . 1 . 2]" 1
65 1 23 CYS H 1 24 LYS H 1.800 . 5.000 3.137 1.787 4.359 0.013 2 0 "[ . 1 . 2]" 1
66 1 24 LYS H 1 24 LYS QG 1.800 . 5.000 3.736 1.940 4.380 . 0 0 "[ . 1 . 2]" 1
67 1 24 LYS H 1 25 GLN HA 1.800 . 5.000 4.807 4.282 5.028 0.028 5 0 "[ . 1 . 2]" 1
68 1 24 LYS H 1 25 GLN QB 1.800 . 5.000 4.321 3.554 5.011 0.011 15 0 "[ . 1 . 2]" 1
69 1 24 LYS HA 1 25 GLN H 1.800 . 4.000 2.846 2.559 3.109 . 0 0 "[ . 1 . 2]" 1
70 1 24 LYS QB 1 25 GLN H 1.800 . 4.000 3.809 3.588 3.988 . 0 0 "[ . 1 . 2]" 1
71 1 24 LYS H 1 25 GLN H 1.800 . 3.000 2.459 1.867 3.026 0.026 20 0 "[ . 1 . 2]" 1
72 1 25 GLN H 1 25 GLN QB 1.800 . 3.000 2.712 2.375 3.015 0.015 15 0 "[ . 1 . 2]" 1
73 1 25 GLN H 1 25 GLN QG 1.800 . 3.000 2.788 2.285 3.006 0.006 18 0 "[ . 1 . 2]" 1
74 1 25 GLN HA 1 26 LYS H 1.800 . 3.000 2.355 2.025 2.966 . 0 0 "[ . 1 . 2]" 1
75 1 25 GLN QB 1 26 LYS H 1.800 . 5.000 3.033 1.790 3.741 0.010 13 0 "[ . 1 . 2]" 1
76 1 25 GLN H 1 26 LYS H 1.800 . 4.000 3.949 2.525 4.048 0.048 15 0 "[ . 1 . 2]" 1
77 1 26 LYS H 1 26 LYS QG 1.800 . 5.000 2.525 1.787 4.052 0.013 3 0 "[ . 1 . 2]" 1
78 1 26 LYS H 1 27 GLY H 1.800 . 5.000 3.920 2.375 4.632 . 0 0 "[ . 1 . 2]" 1
79 1 26 LYS HA 1 27 GLY H 1.800 . 5.000 2.765 2.119 3.609 . 0 0 "[ . 1 . 2]" 1
80 1 26 LYS QB 1 27 GLY H 1.800 . 5.000 2.801 1.789 4.027 0.011 19 0 "[ . 1 . 2]" 1
81 1 27 GLY QA 1 28 VAL H 1.800 . 5.000 2.184 2.066 2.567 . 0 0 "[ . 1 . 2]" 1
82 1 28 VAL H 1 29 GLY H 1.800 . 5.000 2.489 1.789 3.567 0.011 2 0 "[ . 1 . 2]" 1
83 1 28 VAL HA 1 29 GLY H 1.800 . 3.600 3.521 3.405 3.589 . 0 0 "[ . 1 . 2]" 1
84 1 28 VAL HB 1 29 GLY H 1.800 . 4.000 3.359 1.843 4.012 0.012 20 0 "[ . 1 . 2]" 1
85 1 28 VAL QG 1 29 GLY H 1.800 . 3.000 2.442 1.824 3.002 0.002 19 0 "[ . 1 . 2]" 1
86 1 29 GLY HA3 1 30 ALA H 1.800 . 3.000 2.289 2.129 2.770 . 0 0 "[ . 1 . 2]" 1
87 1 29 GLY HA2 1 30 ALA H 1.800 . 5.000 3.366 3.010 3.587 . 0 0 "[ . 1 . 2]" 1
88 1 29 GLY QA 1 30 ALA H 1.800 . 3.000 2.252 2.101 2.683 . 0 0 "[ . 1 . 2]" 1
89 1 29 GLY H 1 30 ALA H 1.800 . 4.000 3.281 2.346 4.009 0.009 12 0 "[ . 1 . 2]" 1
90 1 30 ALA H 1 30 ALA MB 1.800 . 4.000 2.484 2.271 2.645 . 0 0 "[ . 1 . 2]" 1
91 1 30 ALA HA 1 31 SER H 1.800 . 5.000 2.193 2.123 2.292 . 0 0 "[ . 1 . 2]" 1
92 1 30 ALA MB 1 31 SER H 1.800 . 5.000 2.978 2.666 3.488 . 0 0 "[ . 1 . 2]" 1
93 1 31 SER HA 1 32 ILE H 1.800 . 2.800 2.165 2.106 2.310 . 0 0 "[ . 1 . 2]" 1
94 1 31 SER QB 1 32 ILE H 1.800 . 5.000 3.031 2.590 3.371 . 0 0 "[ . 1 . 2]" 1
95 1 31 SER H 1 32 ILE H 1.800 . 4.800 4.387 4.254 4.495 . 0 0 "[ . 1 . 2]" 1
96 1 32 ILE H 1 32 ILE MD 1.800 . 5.000 4.565 4.194 4.822 . 0 0 "[ . 1 . 2]" 1
97 1 32 ILE HA 1 33 GLN H 1.800 . 5.000 2.320 2.226 2.445 . 0 0 "[ . 1 . 2]" 1
98 1 32 ILE HB 1 33 GLN H 1.800 . 5.000 4.003 3.917 4.198 . 0 0 "[ . 1 . 2]" 1
99 1 32 ILE HG13 1 33 GLN H 1.800 . 5.500 2.646 1.891 4.215 . 0 0 "[ . 1 . 2]" 1
100 1 32 ILE HG12 1 33 GLN H 1.800 . 5.500 2.673 2.109 4.141 . 0 0 "[ . 1 . 2]" 1
101 1 32 ILE MD 1 33 GLN H 1.800 . 5.000 3.310 2.016 3.985 . 0 0 "[ . 1 . 2]" 1
102 1 32 ILE H 1 33 GLN H 1.800 . 5.000 4.433 4.228 4.543 . 0 0 "[ . 1 . 2]" 1
103 1 33 GLN H 1 33 GLN QG 1.800 . 5.000 3.750 2.253 4.120 . 0 0 "[ . 1 . 2]" 1
104 1 33 GLN HA 1 34 CYS H 1.800 . 4.300 2.101 2.053 2.128 . 0 0 "[ . 1 . 2]" 1
105 1 33 GLN QB 1 34 CYS H 1.800 . 4.300 3.512 2.831 3.835 . 0 0 "[ . 1 . 2]" 1
106 1 33 GLN QG 1 34 CYS H 1.800 . 5.000 3.307 2.683 4.460 . 0 0 "[ . 1 . 2]" 1
107 1 33 GLN H 1 34 CYS H 1.800 . 4.300 4.307 4.221 4.324 0.024 3 0 "[ . 1 . 2]" 1
108 1 34 CYS HA 1 35 HIS H 1.800 . 5.000 2.259 2.138 2.381 . 0 0 "[ . 1 . 2]" 1
109 1 34 CYS QB 1 35 HIS H 1.800 . 5.000 3.191 2.591 3.600 . 0 0 "[ . 1 . 2]" 1
110 1 34 CYS H 1 35 HIS H 1.800 . 5.000 4.589 4.553 4.632 . 0 0 "[ . 1 . 2]" 1
111 1 35 HIS HA 1 36 LYS H 1.800 . 5.000 2.715 2.402 3.589 . 0 0 "[ . 1 . 2]" 1
112 1 35 HIS QB 1 36 LYS H 1.800 . 5.000 2.602 1.879 3.181 . 0 0 "[ . 1 . 2]" 1
113 1 36 LYS H 1 36 LYS QG 1.800 . 5.000 3.994 3.020 4.550 . 0 0 "[ . 1 . 2]" 1
114 1 36 LYS H 1 36 LYS QD 1.800 . 5.000 4.403 3.031 5.028 0.028 19 0 "[ . 1 . 2]" 1
115 1 36 LYS HA 1 37 ALA H 1.800 . 5.000 2.745 2.078 3.558 . 0 0 "[ . 1 . 2]" 1
116 1 36 LYS HB3 1 37 ALA H 1.800 . 5.000 2.865 1.783 4.332 0.017 8 0 "[ . 1 . 2]" 1
117 1 36 LYS QG 1 37 ALA H 1.800 . 5.000 3.321 2.425 4.688 . 0 0 "[ . 1 . 2]" 1
118 1 36 LYS QD 1 37 ALA H 1.800 . 5.000 3.996 2.668 5.028 0.028 20 0 "[ . 1 . 2]" 1
119 1 36 LYS QE 1 37 ALA H 1.800 . 5.000 4.484 2.759 5.016 0.016 11 0 "[ . 1 . 2]" 1
120 1 37 ALA H 1 37 ALA MB 1.800 . 5.000 2.399 2.206 2.815 . 0 0 "[ . 1 . 2]" 1
121 1 37 ALA HA 1 38 ASN H 1.800 . 5.000 3.520 3.433 3.585 . 0 0 "[ . 1 . 2]" 1
122 1 37 ALA MB 1 38 ASN H 1.800 . 5.000 2.486 1.919 2.976 . 0 0 "[ . 1 . 2]" 1
123 1 38 ASN HA 1 39 CYS H 1.800 . 5.000 2.652 2.174 3.318 . 0 0 "[ . 1 . 2]" 1
124 1 38 ASN QB 1 39 CYS H 1.800 . 5.000 3.630 2.818 3.997 . 0 0 "[ . 1 . 2]" 1
125 1 40 TYR HA 1 41 THR H 1.800 . 5.000 2.449 2.181 2.980 . 0 0 "[ . 1 . 2]" 1
126 1 40 TYR QB 1 41 THR H 1.800 . 5.000 3.910 3.699 4.046 . 0 0 "[ . 1 . 2]" 1
127 1 40 TYR QD 1 41 THR H 1.800 . 4.000 4.005 3.948 4.015 0.015 12 0 "[ . 1 . 2]" 1
128 1 41 THR H 1 41 THR MG 1.800 . 5.000 3.833 3.620 3.913 . 0 0 "[ . 1 . 2]" 1
129 1 41 THR HA 1 42 ALA H 1.800 . 5.000 2.193 2.154 2.258 . 0 0 "[ . 1 . 2]" 1
130 1 41 THR HB 1 42 ALA H 1.800 . 5.000 4.040 3.791 4.201 . 0 0 "[ . 1 . 2]" 1
131 1 41 THR MG 1 42 ALA H 1.800 . 5.000 2.841 2.351 3.218 . 0 0 "[ . 1 . 2]" 1
132 1 42 ALA H 1 42 ALA MB 1.800 . 5.000 2.356 2.331 2.559 . 0 0 "[ . 1 . 2]" 1
133 1 42 ALA H 1 43 PHE H 1.800 . 5.000 4.477 4.416 4.524 . 0 0 "[ . 1 . 2]" 1
134 1 42 ALA H 1 43 PHE HD1 1.800 . 5.000 3.968 3.818 4.148 . 0 0 "[ . 1 . 2]" 1
135 1 42 ALA HA 1 43 PHE H 1.800 . 5.000 2.157 2.109 2.298 . 0 0 "[ . 1 . 2]" 1
136 1 42 ALA MB 1 43 PHE H 1.800 . 5.000 2.922 2.487 3.078 . 0 0 "[ . 1 . 2]" 1
137 1 43 PHE HA 1 44 HIS H 1.800 . 3.300 2.577 2.341 2.749 . 0 0 "[ . 1 . 2]" 1
138 1 43 PHE HB3 1 44 HIS H 1.800 . 5.000 3.526 3.392 3.746 . 0 0 "[ . 1 . 2]" 1
139 1 43 PHE HB2 1 44 HIS H 1.800 . 4.000 2.152 1.863 2.623 . 0 0 "[ . 1 . 2]" 1
140 1 43 PHE QB 1 44 HIS H 1.800 . 4.000 2.130 1.854 2.575 . 0 0 "[ . 1 . 2]" 1
141 1 44 HIS H 1 44 HIS HD2 1.800 . 5.000 4.665 4.278 5.005 0.005 10 0 "[ . 1 . 2]" 1
142 1 44 HIS HA 1 45 VAL H 1.800 . 5.000 2.276 2.199 2.316 . 0 0 "[ . 1 . 2]" 1
143 1 44 HIS QB 1 45 VAL H 1.800 . 5.000 2.656 2.531 2.844 . 0 0 "[ . 1 . 2]" 1
144 1 44 HIS H 1 45 VAL H 1.800 . 5.000 4.568 4.517 4.620 . 0 0 "[ . 1 . 2]" 1
145 1 45 VAL H 1 46 THR H 1.800 . 3.500 2.686 2.603 2.791 . 0 0 "[ . 1 . 2]" 1
146 1 45 VAL HA 1 46 THR H 1.800 . 4.000 3.537 3.524 3.551 . 0 0 "[ . 1 . 2]" 1
147 1 45 VAL HB 1 46 THR H 1.800 . 4.500 2.629 2.518 2.736 . 0 0 "[ . 1 . 2]" 1
148 1 45 VAL QG 1 46 THR H 1.800 . 5.000 3.249 3.183 3.312 . 0 0 "[ . 1 . 2]" 1
149 1 46 THR H 1 46 THR MG 1.800 . 5.000 2.008 1.894 2.123 . 0 0 "[ . 1 . 2]" 1
150 1 46 THR H 1 47 CYS H 1.800 . 3.500 2.637 2.555 2.722 . 0 0 "[ . 1 . 2]" 1
151 1 46 THR HA 1 47 CYS H 1.800 . 4.000 3.513 3.469 3.558 . 0 0 "[ . 1 . 2]" 1
152 1 46 THR HB 1 47 CYS H 1.800 . 4.500 4.071 3.986 4.135 . 0 0 "[ . 1 . 2]" 1
153 1 46 THR MG 1 47 CYS H 1.800 . 5.000 2.242 1.962 2.414 . 0 0 "[ . 1 . 2]" 1
154 1 47 CYS H 1 48 ALA H 1.800 . 3.500 2.537 2.420 2.670 . 0 0 "[ . 1 . 2]" 1
155 1 47 CYS HA 1 48 ALA H 1.800 . 4.000 3.513 3.459 3.533 . 0 0 "[ . 1 . 2]" 1
156 1 47 CYS QB 1 48 ALA H 1.800 . 4.500 2.630 2.519 2.866 . 0 0 "[ . 1 . 2]" 1
157 1 48 ALA H 1 48 ALA MB 1.800 . 5.000 2.225 2.214 2.237 . 0 0 "[ . 1 . 2]" 1
158 1 48 ALA H 1 49 GLN H 1.800 . 3.300 2.663 2.600 2.775 . 0 0 "[ . 1 . 2]" 1
159 1 48 ALA HA 1 49 GLN H 1.800 . 4.000 3.534 3.488 3.566 . 0 0 "[ . 1 . 2]" 1
160 1 48 ALA MB 1 49 GLN H 1.800 . 4.500 2.450 2.326 2.656 . 0 0 "[ . 1 . 2]" 1
161 1 49 GLN H 1 50 LYS H 1.800 . 3.000 2.531 2.461 2.633 . 0 0 "[ . 1 . 2]" 1
162 1 49 GLN HA 1 50 LYS H 1.800 . 4.000 3.480 3.430 3.550 . 0 0 "[ . 1 . 2]" 1
163 1 49 GLN QB 1 50 LYS H 1.800 . 4.500 2.839 2.481 3.623 . 0 0 "[ . 1 . 2]" 1
164 1 50 LYS H 1 50 LYS HG3 1.800 . 5.000 4.217 3.740 4.568 . 0 0 "[ . 1 . 2]" 1
165 1 50 LYS H 1 50 LYS HG2 1.800 . 5.000 4.253 2.305 4.571 . 0 0 "[ . 1 . 2]" 1
166 1 50 LYS H 1 50 LYS QD 1.800 . 5.000 3.922 2.503 4.791 . 0 0 "[ . 1 . 2]" 1
167 1 50 LYS HA 1 51 ALA H 1.800 . 5.000 3.525 3.366 3.569 . 0 0 "[ . 1 . 2]" 1
168 1 50 LYS HB3 1 51 ALA H 1.800 . 5.000 2.904 2.444 3.637 . 0 0 "[ . 1 . 2]" 1
169 1 50 LYS HB2 1 51 ALA H 1.800 . 5.000 3.268 2.527 3.727 . 0 0 "[ . 1 . 2]" 1
170 1 50 LYS QB 1 51 ALA H 1.800 . 4.000 2.612 2.412 3.210 . 0 0 "[ . 1 . 2]" 1
171 1 50 LYS QG 1 51 ALA H 1.800 . 5.000 4.241 3.714 4.728 . 0 0 "[ . 1 . 2]" 1
172 1 50 LYS QD 1 51 ALA H 1.800 . 5.000 4.879 4.501 5.007 0.007 3 0 "[ . 1 . 2]" 1
173 1 50 LYS QE 1 51 ALA H 1.800 . 5.000 4.795 4.402 5.010 0.010 19 0 "[ . 1 . 2]" 1
174 1 50 LYS H 1 51 ALA H 1.800 . 5.000 2.537 2.336 2.709 . 0 0 "[ . 1 . 2]" 1
175 1 51 ALA H 1 51 ALA MB 1.800 . 5.000 2.262 2.230 2.352 . 0 0 "[ . 1 . 2]" 1
176 1 51 ALA HA 1 52 GLY H 1.800 . 5.000 3.510 3.434 3.568 . 0 0 "[ . 1 . 2]" 1
177 1 51 ALA MB 1 52 GLY H 1.800 . 5.000 2.668 2.337 2.939 . 0 0 "[ . 1 . 2]" 1
178 1 52 GLY QA 1 53 LEU H 1.800 . 3.000 2.657 2.507 2.790 . 0 0 "[ . 1 . 2]" 1
179 1 52 GLY H 1 53 LEU H 1.800 . 5.000 2.498 2.307 2.693 . 0 0 "[ . 1 . 2]" 1
180 1 53 LEU H 1 53 LEU HG 1.800 . 5.500 1.816 1.794 1.912 0.006 11 0 "[ . 1 . 2]" 1
181 1 53 LEU H 1 53 LEU QD 1.800 . 5.000 2.804 2.624 2.904 . 0 0 "[ . 1 . 2]" 1
182 1 53 LEU HA 1 54 TYR H 1.800 . 3.000 2.642 2.510 2.735 . 0 0 "[ . 1 . 2]" 1
183 1 53 LEU HB3 1 54 TYR H 1.800 . 5.000 3.428 3.294 3.594 . 0 0 "[ . 1 . 2]" 1
184 1 53 LEU HB2 1 54 TYR H 1.800 . 5.000 1.957 1.810 2.199 . 0 0 "[ . 1 . 2]" 1
185 1 53 LEU QD 1 54 TYR H 1.800 . 5.000 2.847 2.701 3.046 . 0 0 "[ . 1 . 2]" 1
186 1 53 LEU H 1 54 TYR H 1.800 . 5.000 4.483 4.402 4.569 . 0 0 "[ . 1 . 2]" 1
187 1 54 TYR H 1 54 TYR HA 1.800 . 3.000 2.873 2.820 2.910 . 0 0 "[ . 1 . 2]" 1
188 1 54 TYR H 1 54 TYR QD 1.800 . 4.500 4.209 4.165 4.235 . 0 0 "[ . 1 . 2]" 1
189 1 54 TYR HA 1 55 MET H 1.800 . 5.000 2.124 2.099 2.153 . 0 0 "[ . 1 . 2]" 1
190 1 54 TYR QB 1 55 MET H 1.800 . 5.000 3.809 3.708 3.901 . 0 0 "[ . 1 . 2]" 1
191 1 54 TYR HD1 1 55 MET H 1.800 . 4.600 4.049 3.685 4.423 . 0 0 "[ . 1 . 2]" 1
192 1 54 TYR HD2 1 55 MET H 1.800 . 4.600 4.370 3.968 4.604 0.004 16 0 "[ . 1 . 2]" 1
193 1 54 TYR H 1 55 MET H 1.800 . 5.000 4.443 4.333 4.522 . 0 0 "[ . 1 . 2]" 1
194 1 55 MET HA 1 56 LYS H 1.800 . 3.300 2.164 2.113 2.276 . 0 0 "[ . 1 . 2]" 1
195 1 55 MET QB 1 56 LYS H 1.800 . 5.000 3.241 2.617 3.820 . 0 0 "[ . 1 . 2]" 1
196 1 55 MET QG 1 56 LYS H 1.800 . 5.000 3.648 2.699 4.096 . 0 0 "[ . 1 . 2]" 1
197 1 55 MET H 1 56 LYS H 1.800 . 5.000 4.300 4.075 4.459 . 0 0 "[ . 1 . 2]" 1
198 1 56 LYS H 1 56 LYS QG 1.800 . 5.000 3.997 3.583 4.157 . 0 0 "[ . 1 . 2]" 1
199 1 56 LYS HA 1 57 MET H 1.800 . 2.800 2.326 2.167 2.496 . 0 0 "[ . 1 . 2]" 1
200 1 56 LYS QB 1 57 MET H 1.800 . 4.500 3.404 3.180 3.686 . 0 0 "[ . 1 . 2]" 1
201 1 56 LYS QG 1 57 MET H 1.800 . 5.000 2.590 1.817 4.075 . 0 0 "[ . 1 . 2]" 1
202 1 56 LYS QD 1 57 MET H 1.800 . 5.000 3.520 1.789 4.693 0.011 19 0 "[ . 1 . 2]" 1
203 1 56 LYS QE 1 57 MET H 1.800 . 5.000 4.426 3.807 4.953 . 0 0 "[ . 1 . 2]" 1
204 1 56 LYS H 1 57 MET H 1.800 . 5.000 4.500 4.227 4.602 . 0 0 "[ . 1 . 2]" 1
205 1 57 MET H 1 57 MET QG 1.800 . 5.500 3.209 2.732 3.902 . 0 0 "[ . 1 . 2]" 1
206 1 57 MET H 1 58 GLU HA 1.800 . 5.500 4.404 4.137 4.644 . 0 0 "[ . 1 . 2]" 1
207 1 57 MET H 1 58 GLU QB 1.800 . 5.000 5.028 5.014 5.049 0.049 19 0 "[ . 1 . 2]" 1
208 1 57 MET H 1 58 GLU QG 1.800 . 5.000 3.439 3.200 3.791 . 0 0 "[ . 1 . 2]" 1
209 1 57 MET HA 1 58 GLU H 1.800 . 2.800 2.120 2.069 2.180 . 0 0 "[ . 1 . 2]" 1
210 1 57 MET QB 1 58 GLU H 1.800 . 5.000 3.482 3.350 3.534 . 0 0 "[ . 1 . 2]" 1
211 1 57 MET H 1 58 GLU H 1.800 . 5.000 3.894 3.754 4.052 . 0 0 "[ . 1 . 2]" 1
212 1 59 PRO HA 1 60 VAL H 1.800 . 2.800 2.174 2.072 2.249 . 0 0 "[ . 1 . 2]" 1
213 1 59 PRO QB 1 60 VAL H 1.800 . 4.800 3.499 3.108 3.746 . 0 0 "[ . 1 . 2]" 1
214 1 59 PRO QD 1 60 VAL H 1.800 . 5.000 4.727 4.404 4.925 . 0 0 "[ . 1 . 2]" 1
215 1 60 VAL H 1 60 VAL QG 1.800 . 5.000 2.070 1.796 2.877 0.004 10 0 "[ . 1 . 2]" 1
216 1 60 VAL HA 1 61 LYS H 1.800 . 2.800 2.170 2.101 2.287 . 0 0 "[ . 1 . 2]" 1
217 1 60 VAL HB 1 61 LYS H 1.800 . 5.000 3.572 2.702 4.360 . 0 0 "[ . 1 . 2]" 1
218 1 60 VAL QG 1 61 LYS H 1.800 . 5.000 3.194 2.154 3.703 . 0 0 "[ . 1 . 2]" 1
219 1 60 VAL H 1 61 LYS H 1.800 . 5.000 4.376 3.951 4.550 . 0 0 "[ . 1 . 2]" 1
220 1 61 LYS H 1 61 LYS QD 1.800 . 5.000 4.198 2.493 4.891 . 0 0 "[ . 1 . 2]" 1
221 1 61 LYS H 1 61 LYS QE 1.800 . 5.000 4.599 3.923 5.010 0.010 4 0 "[ . 1 . 2]" 1
222 1 61 LYS HA 1 62 GLU H 1.800 . 4.300 2.127 2.045 2.279 . 0 0 "[ . 1 . 2]" 1
223 1 61 LYS QB 1 62 GLU H 1.800 . 5.200 3.504 2.511 3.907 . 0 0 "[ . 1 . 2]" 1
224 1 61 LYS QD 1 62 GLU H 1.800 . 5.000 4.492 2.920 5.022 0.022 6 0 "[ . 1 . 2]" 1
225 1 61 LYS QE 1 62 GLU H 1.800 . 5.000 4.530 3.434 5.015 0.015 16 0 "[ . 1 . 2]" 1
226 1 61 LYS QG 1 62 GLU H 1.800 . 5.000 3.561 2.760 4.801 . 0 0 "[ . 1 . 2]" 1
227 1 61 LYS H 1 62 GLU H 1.800 . 5.000 4.340 4.148 4.571 . 0 0 "[ . 1 . 2]" 1
228 1 62 GLU HA 1 63 LEU H 1.800 . 3.000 2.627 2.556 2.708 . 0 0 "[ . 1 . 2]" 1
229 1 62 GLU HB3 1 63 LEU H 1.800 . 5.500 2.163 1.878 3.199 . 0 0 "[ . 1 . 2]" 1
230 1 62 GLU HB2 1 63 LEU H 1.800 . 4.000 3.389 3.098 3.830 . 0 0 "[ . 1 . 2]" 1
231 1 62 GLU QB 1 63 LEU H 1.800 . 4.000 2.134 1.865 3.046 . 0 0 "[ . 1 . 2]" 1
232 1 62 GLU QG 1 63 LEU H 1.800 . 5.500 3.340 1.787 3.923 0.013 10 0 "[ . 1 . 2]" 1
233 1 63 LEU H 1 63 LEU HB3 1.800 . 3.500 3.083 2.541 3.513 0.013 1 0 "[ . 1 . 2]" 1
234 1 63 LEU H 1 63 LEU HB2 1.800 . 3.500 3.405 3.134 3.568 0.068 2 0 "[ . 1 . 2]" 1
235 1 63 LEU H 1 63 LEU QD 1.800 . 5.000 3.510 2.151 4.133 . 0 0 "[ . 1 . 2]" 1
236 1 63 LEU H 1 64 THR MG 1.800 . 6.000 4.289 2.821 5.410 . 0 0 "[ . 1 . 2]" 1
237 1 63 LEU H 1 64 THR HB 1.800 . 6.000 4.599 3.765 5.615 . 0 0 "[ . 1 . 2]" 1
238 1 62 GLU HB3 1 64 THR H 1.800 . 5.000 3.185 2.464 3.609 . 0 0 "[ . 1 . 2]" 1
239 1 62 GLU HB2 1 64 THR H 1.800 . 5.000 4.499 3.021 5.009 0.009 15 0 "[ . 1 . 2]" 1
240 1 62 GLU QG 1 64 THR H 1.800 . 5.000 4.492 1.922 5.022 0.022 11 0 "[ . 1 . 2]" 1
241 1 63 LEU HA 1 64 THR H 1.800 . 3.800 3.193 2.247 3.513 . 0 0 "[ . 1 . 2]" 1
242 1 63 LEU QB 1 64 THR H 1.800 . 4.000 3.207 2.332 3.998 . 0 0 "[ . 1 . 2]" 1
243 1 63 LEU HG 1 64 THR H 1.800 . 4.000 3.887 3.571 4.022 0.022 8 0 "[ . 1 . 2]" 1
244 1 63 LEU QD 1 64 THR H 1.800 . 4.000 3.737 1.953 4.017 0.017 13 0 "[ . 1 . 2]" 1
245 1 63 LEU H 1 64 THR H 1.800 . 5.000 2.060 1.771 3.184 0.029 13 0 "[ . 1 . 2]" 1
246 1 64 THR H 1 64 THR MG 1.800 . 5.000 3.049 2.006 3.814 . 0 0 "[ . 1 . 2]" 1
247 1 67 GLY QA 1 68 THR H 1.800 . 4.000 2.266 2.109 2.579 . 0 0 "[ . 1 . 2]" 1
248 1 67 GLY H 1 68 THR H 1.800 . 5.000 3.977 2.040 4.604 . 0 0 "[ . 1 . 2]" 1
249 1 68 THR H 1 68 THR HG1 1.800 . 5.000 2.388 1.960 3.146 . 0 0 "[ . 1 . 2]" 1
250 1 68 THR HA 1 69 THR H 1.800 . 5.000 2.267 2.193 2.529 . 0 0 "[ . 1 . 2]" 1
251 1 69 THR H 1 69 THR MG 1.800 . 5.000 2.669 2.218 3.030 . 0 0 "[ . 1 . 2]" 1
252 1 69 THR HA 1 70 PHE H 1.800 . 3.500 2.049 1.979 2.303 . 0 0 "[ . 1 . 2]" 1
253 1 69 THR HB 1 70 PHE H 1.800 . 3.500 3.438 3.354 3.547 0.047 20 0 "[ . 1 . 2]" 1
254 1 69 THR MG 1 70 PHE H 1.800 . 4.000 3.901 3.106 4.029 0.029 3 0 "[ . 1 . 2]" 1
255 1 69 THR H 1 70 PHE H 1.800 . 4.000 4.059 4.032 4.115 0.115 5 0 "[ . 1 . 2]" 1
256 1 70 PHE H 1 70 PHE HB3 1.800 . 3.000 2.548 2.264 3.006 0.006 7 0 "[ . 1 . 2]" 1
257 1 70 PHE H 1 70 PHE HB2 1.800 . 3.500 2.912 2.320 3.554 0.054 3 0 "[ . 1 . 2]" 1
258 1 70 PHE H 1 70 PHE QB 1.800 . 3.000 2.329 2.162 2.849 . 0 0 "[ . 1 . 2]" 1
259 1 70 PHE H 1 70 PHE QD 1.800 . 4.000 3.606 1.799 4.047 0.047 15 0 "[ . 1 . 2]" 1
260 1 70 PHE HA 1 71 SER H 1.800 . 2.800 2.139 2.114 2.158 . 0 0 "[ . 1 . 2]" 1
261 1 70 PHE HB2 1 71 SER H 1.800 . 5.000 4.198 3.475 4.562 . 0 0 "[ . 1 . 2]" 1
262 1 70 PHE HB3 1 71 SER H 1.800 . 5.000 4.319 3.895 4.501 . 0 0 "[ . 1 . 2]" 1
263 1 70 PHE H 1 71 SER H 1.800 . 5.000 4.337 4.141 4.509 . 0 0 "[ . 1 . 2]" 1
264 1 71 SER H 1 72 VAL QG 1.800 . 5.000 4.425 3.992 4.764 . 0 0 "[ . 1 . 2]" 1
265 1 71 SER HA 1 72 VAL H 1.800 . 2.800 2.259 2.150 2.426 . 0 0 "[ . 1 . 2]" 1
266 1 71 SER QB 1 72 VAL H 1.800 . 5.000 3.066 2.426 3.851 . 0 0 "[ . 1 . 2]" 1
267 1 71 SER H 1 72 VAL H 1.800 . 5.000 4.404 4.210 4.500 . 0 0 "[ . 1 . 2]" 1
268 1 72 VAL H 1 72 VAL HB 1.800 . 4.000 2.801 2.667 2.994 . 0 0 "[ . 1 . 2]" 1
269 1 72 VAL H 1 72 VAL MG1 1.800 . 4.000 3.888 3.814 3.948 . 0 0 "[ . 1 . 2]" 1
270 1 72 VAL H 1 72 VAL MG2 1.800 . 5.200 2.313 2.007 2.554 . 0 0 "[ . 1 . 2]" 1
271 1 72 VAL HA 1 73 ARG H 1.800 . 2.500 2.135 2.079 2.202 . 0 0 "[ . 1 . 2]" 1
272 1 72 VAL HB 1 73 ARG H 1.800 . 3.800 3.820 3.811 3.828 0.028 13 0 "[ . 1 . 2]" 1
273 1 72 VAL MG1 1 73 ARG H 1.800 . 3.000 2.436 2.271 2.696 . 0 0 "[ . 1 . 2]" 1
274 1 72 VAL MG2 1 73 ARG H 1.800 . 5.500 4.127 3.995 4.281 . 0 0 "[ . 1 . 2]" 1
275 1 73 ARG H 1 73 ARG HA 1.800 . 3.000 2.945 2.929 2.960 . 0 0 "[ . 1 . 2]" 1
276 1 73 ARG H 1 73 ARG QD 1.800 . 5.000 4.287 3.807 4.619 . 0 0 "[ . 1 . 2]" 1
277 1 73 ARG H 1 73 ARG QG 1.800 . 5.000 3.091 1.965 4.185 . 0 0 "[ . 1 . 2]" 1
278 1 73 ARG HA 1 74 LYS H 1.800 . 2.800 2.185 2.107 2.268 . 0 0 "[ . 1 . 2]" 1
279 1 73 ARG QB 1 74 LYS H 1.800 . 5.000 3.636 2.848 4.024 . 0 0 "[ . 1 . 2]" 1
280 1 73 ARG QG 1 74 LYS H 1.800 . 5.000 3.931 3.316 4.533 . 0 0 "[ . 1 . 2]" 1
281 1 73 ARG H 1 74 LYS H 1.800 . 5.000 4.108 3.842 4.475 . 0 0 "[ . 1 . 2]" 1
282 1 74 LYS H 1 74 LYS QG 1.800 . 5.000 3.605 2.468 4.057 . 0 0 "[ . 1 . 2]" 1
283 1 74 LYS H 1 74 LYS QD 1.800 . 5.000 4.361 2.180 4.869 . 0 0 "[ . 1 . 2]" 1
284 1 74 LYS HA 1 75 THR H 1.800 . 2.800 2.109 2.041 2.195 . 0 0 "[ . 1 . 2]" 1
285 1 74 LYS QB 1 75 THR H 1.800 . 5.000 3.559 2.874 3.851 . 0 0 "[ . 1 . 2]" 1
286 1 74 LYS QG 1 75 THR H 1.800 . 5.000 3.442 2.779 4.282 . 0 0 "[ . 1 . 2]" 1
287 1 74 LYS QD 1 75 THR H 1.800 . 5.000 4.972 4.727 5.012 0.012 20 0 "[ . 1 . 2]" 1
288 1 74 LYS H 1 75 THR H 1.800 . 5.000 4.338 4.162 4.542 . 0 0 "[ . 1 . 2]" 1
289 1 75 THR H 1 75 THR MG 1.800 . 5.000 3.852 3.749 3.956 . 0 0 "[ . 1 . 2]" 1
290 1 75 THR HA 1 76 ALA H 1.800 . 2.800 2.226 2.145 2.447 . 0 0 "[ . 1 . 2]" 1
291 1 75 THR HB 1 76 ALA H 1.800 . 5.000 4.178 3.681 4.404 . 0 0 "[ . 1 . 2]" 1
292 1 75 THR MG 1 76 ALA H 1.800 . 5.000 2.813 2.042 3.165 . 0 0 "[ . 1 . 2]" 1
293 1 75 THR H 1 76 ALA H 1.800 . 5.000 4.265 4.028 4.557 . 0 0 "[ . 1 . 2]" 1
294 1 76 ALA H 1 76 ALA MB 1.800 . 5.000 2.494 2.349 2.721 . 0 0 "[ . 1 . 2]" 1
295 1 76 ALA HA 1 77 TYR H 1.800 . 5.000 2.251 2.163 2.353 . 0 0 "[ . 1 . 2]" 1
296 1 76 ALA MB 1 77 TYR H 1.800 . 5.000 2.660 2.386 2.957 . 0 0 "[ . 1 . 2]" 1
297 1 76 ALA H 1 77 TYR H 1.800 . 5.000 4.447 4.360 4.545 . 0 0 "[ . 1 . 2]" 1
298 1 77 TYR H 1 77 TYR HB3 1.800 . 4.000 3.777 3.722 3.862 . 0 0 "[ . 1 . 2]" 1
299 1 77 TYR HA 1 78 CYS H 1.800 . 5.000 2.229 2.139 2.306 . 0 0 "[ . 1 . 2]" 1
300 1 77 TYR HB3 1 78 CYS H 1.800 . 4.000 2.969 2.726 3.191 . 0 0 "[ . 1 . 2]" 1
301 1 77 TYR HB2 1 78 CYS H 1.800 . 5.000 3.977 3.726 4.178 . 0 0 "[ . 1 . 2]" 1
302 1 77 TYR QB 1 78 CYS H 1.800 . 4.000 2.890 2.673 3.096 . 0 0 "[ . 1 . 2]" 1
303 1 78 CYS H 1 78 CYS HB3 1.800 . 4.000 2.716 2.616 2.870 . 0 0 "[ . 1 . 2]" 1
304 1 78 CYS HA 1 79 ASP H 1.800 . 5.000 2.339 2.237 2.481 . 0 0 "[ . 1 . 2]" 1
305 1 78 CYS HB3 1 79 ASP H 1.800 . 5.000 3.744 3.559 3.894 . 0 0 "[ . 1 . 2]" 1
306 1 78 CYS HB2 1 79 ASP H 1.800 . 4.000 2.584 2.226 2.810 . 0 0 "[ . 1 . 2]" 1
307 1 78 CYS QB 1 79 ASP H 1.800 . 4.000 2.539 2.205 2.748 . 0 0 "[ . 1 . 2]" 1
308 1 79 ASP HA 1 80 VAL H 1.800 . 5.000 3.526 3.457 3.569 . 0 0 "[ . 1 . 2]" 1
309 1 79 ASP QB 1 80 VAL H 1.800 . 4.000 2.883 2.272 3.630 . 0 0 "[ . 1 . 2]" 1
310 1 79 ASP H 1 80 VAL H 1.800 . 5.000 2.816 2.620 3.075 . 0 0 "[ . 1 . 2]" 1
311 1 80 VAL H 1 80 VAL HB 1.800 . 4.000 3.451 2.523 3.686 . 0 0 "[ . 1 . 2]" 1
312 1 80 VAL H 1 80 VAL QG 1.800 . 5.000 1.885 1.812 2.124 . 0 0 "[ . 1 . 2]" 1
313 1 80 VAL H 1 81 HIS H 1.800 . 5.000 2.711 2.478 3.000 . 0 0 "[ . 1 . 2]" 1
314 1 80 VAL HA 1 81 HIS H 1.800 . 5.000 3.114 2.858 3.301 . 0 0 "[ . 1 . 2]" 1
315 1 80 VAL HB 1 81 HIS H 1.800 . 5.000 4.380 4.266 4.551 . 0 0 "[ . 1 . 2]" 1
316 1 81 HIS H 1 81 HIS HB3 1.800 . 4.000 2.750 2.539 2.901 . 0 0 "[ . 1 . 2]" 1
317 1 80 VAL H 1 82 THR H 1.800 . 5.000 4.475 4.086 4.945 . 0 0 "[ . 1 . 2]" 1
318 1 81 HIS HB3 1 82 THR H 1.800 . 4.000 3.141 2.595 3.686 . 0 0 "[ . 1 . 2]" 1
319 1 81 HIS HB2 1 82 THR H 1.800 . 5.000 3.923 3.662 4.215 . 0 0 "[ . 1 . 2]" 1
320 1 81 HIS QB 1 82 THR H 1.800 . 4.000 3.012 2.544 3.461 . 0 0 "[ . 1 . 2]" 1
321 1 81 HIS H 1 82 THR H 1.800 . 3.000 2.179 1.882 2.396 . 0 0 "[ . 1 . 2]" 1
322 1 82 THR H 1 82 THR HG1 1.800 . 4.000 2.497 1.910 3.427 . 0 0 "[ . 1 . 2]" 1
323 1 84 PRO HA 1 85 GLY H 1.800 . 5.000 2.624 2.134 3.571 . 0 0 "[ . 1 . 2]" 1
324 1 84 PRO HB3 1 85 GLY H 1.800 . 4.000 3.671 2.658 4.016 0.016 18 0 "[ . 1 . 2]" 1
325 1 84 PRO HB2 1 85 GLY H 1.800 . 5.000 3.261 1.855 4.232 . 0 0 "[ . 1 . 2]" 1
326 1 84 PRO QB 1 85 GLY H 1.800 . 4.000 2.957 1.839 3.626 . 0 0 "[ . 1 . 2]" 1
327 1 85 GLY QA 1 86 SER H 1.800 . 5.000 2.434 2.092 2.876 . 0 0 "[ . 1 . 2]" 1
328 1 85 GLY H 1 86 SER H 1.800 . 5.000 3.424 1.821 4.441 . 0 0 "[ . 1 . 2]" 1
329 1 86 SER HA 1 87 THR H 1.800 . 5.000 2.779 2.118 3.586 . 0 0 "[ . 1 . 2]" 1
330 1 86 SER QB 1 87 THR H 1.800 . 5.000 3.048 1.795 4.039 0.005 9 0 "[ . 1 . 2]" 1
331 1 87 THR H 1 87 THR MG 1.800 . 5.000 3.715 2.699 4.066 . 0 0 "[ . 1 . 2]" 1
332 1 86 SER H 1 87 THR H 1.800 . 5.000 3.447 2.160 4.419 . 0 0 "[ . 1 . 2]" 1
333 1 9 MET HA 1 9 MET QG 1.800 . 5.000 2.681 2.383 3.518 . 0 0 "[ . 1 . 2]" 1
334 1 10 ASN H 1 11 ILE HA 1.800 . 5.000 4.750 3.992 5.018 0.018 13 0 "[ . 1 . 2]" 1
335 1 11 ILE HA 1 11 ILE MD 1.800 . 5.000 3.032 1.986 4.194 . 0 0 "[ . 1 . 2]" 1
336 1 11 ILE HA 1 11 ILE MG 1.800 . 5.000 2.626 2.215 3.227 . 0 0 "[ . 1 . 2]" 1
337 1 11 ILE HB 1 11 ILE MD 1.800 . 5.000 2.568 2.272 3.240 . 0 0 "[ . 1 . 2]" 1
338 1 11 ILE MD 1 12 PRO HD3 1.800 . 5.000 4.312 2.750 5.004 0.004 2 0 "[ . 1 . 2]" 1
339 1 11 ILE HG13 1 11 ILE MG 1.800 . 5.000 2.626 2.329 3.209 . 0 0 "[ . 1 . 2]" 1
340 1 11 ILE MG 1 12 PRO HD3 1.800 . 5.000 3.793 2.851 4.642 . 0 0 "[ . 1 . 2]" 1
341 1 11 ILE MG 1 12 PRO HD2 1.800 . 5.000 3.706 2.464 4.919 . 0 0 "[ . 1 . 2]" 1
342 1 12 PRO HA 1 12 PRO QD 1.800 . 4.000 3.379 2.823 3.537 . 0 0 "[ . 1 . 2]" 1
343 1 13 PRO HA 1 13 PRO HD3 1.800 . 6.000 3.720 3.369 4.051 . 0 0 "[ . 1 . 2]" 1
344 1 11 ILE HA 1 13 PRO HD2 1.800 . 6.000 4.837 3.036 6.014 0.014 20 0 "[ . 1 . 2]" 1
345 1 11 ILE HA 1 13 PRO HD3 1.800 . 6.000 4.770 3.291 5.624 . 0 0 "[ . 1 . 2]" 1
346 1 15 ARG HA 1 15 ARG QD 1.800 . 6.000 3.431 1.924 4.544 . 0 0 "[ . 1 . 2]" 1
347 1 15 ARG QB 1 15 ARG QD 1.800 . 5.000 2.312 2.118 2.393 . 0 0 "[ . 1 . 2]" 1
348 1 15 ARG QD 1 15 ARG QG 1.800 . 5.000 2.037 1.988 2.093 . 0 0 "[ . 1 . 2]" 1
349 1 15 ARG HA 1 15 ARG QG 1.800 . 5.000 2.651 2.333 3.349 . 0 0 "[ . 1 . 2]" 1
350 1 15 ARG QB 1 15 ARG QG 1.800 . 5.000 2.053 1.992 2.091 . 0 0 "[ . 1 . 2]" 1
351 1 16 TRP HA 1 16 TRP HD1 1.800 . 6.000 3.677 2.105 4.393 . 0 0 "[ . 1 . 2]" 1
352 1 16 TRP HA 1 16 TRP HE3 1.800 . 6.000 4.644 3.551 5.178 . 0 0 "[ . 1 . 2]" 1
353 1 17 LYS HA 1 17 LYS QD 1.800 . 5.000 3.373 1.910 4.259 . 0 0 "[ . 1 . 2]" 1
354 1 17 LYS HA 1 17 LYS QG 1.800 . 5.000 2.657 2.201 3.436 . 0 0 "[ . 1 . 2]" 1
355 1 17 LYS QD 1 17 LYS QE 1.800 . 5.000 2.048 1.996 2.092 . 0 0 "[ . 1 . 2]" 1
356 1 17 LYS QD 1 17 LYS QG 1.800 . 5.000 2.056 2.006 2.095 . 0 0 "[ . 1 . 2]" 1
357 1 17 LYS QE 1 17 LYS QG 1.800 . 5.000 2.318 2.136 2.769 . 0 0 "[ . 1 . 2]" 1
358 1 18 LEU HA 1 18 LEU QD 1.800 . 6.000 2.645 1.989 3.455 . 0 0 "[ . 1 . 2]" 1
359 1 18 LEU HB2 1 18 LEU QD 1.800 . 5.000 2.196 2.082 2.299 . 0 0 "[ . 1 . 2]" 1
360 1 18 LEU HB3 1 18 LEU QD 1.800 . 5.000 2.184 2.068 2.458 . 0 0 "[ . 1 . 2]" 1
361 1 19 THR HA 1 19 THR MG 1.800 . 5.000 2.322 2.269 2.388 . 0 0 "[ . 1 . 2]" 1
362 1 22 LEU HB2 1 22 LEU MD2 1.800 . 5.000 3.128 2.370 3.207 . 0 0 "[ . 1 . 2]" 1
363 1 22 LEU HB3 1 22 LEU MD2 1.800 . 5.000 2.384 2.183 3.202 . 0 0 "[ . 1 . 2]" 1
364 1 22 LEU HB2 1 22 LEU MD1 1.800 . 5.000 2.359 2.202 3.206 . 0 0 "[ . 1 . 2]" 1
365 1 22 LEU HB3 1 22 LEU MD1 1.800 . 5.000 2.433 2.377 3.142 . 0 0 "[ . 1 . 2]" 1
366 1 24 LYS HA 1 24 LYS QG 1.800 . 5.000 2.557 2.241 3.349 . 0 0 "[ . 1 . 2]" 1
367 1 24 LYS QB 1 24 LYS QD 1.800 . 6.000 2.259 2.106 2.834 . 0 0 "[ . 1 . 2]" 1
368 1 24 LYS QB 1 24 LYS QG 1.800 . 5.000 2.066 1.999 2.090 . 0 0 "[ . 1 . 2]" 1
369 1 24 LYS QB 1 24 LYS QE 1.800 . 5.000 2.977 1.808 3.852 . 0 0 "[ . 1 . 2]" 1
370 1 24 LYS QD 1 24 LYS QE 1.800 . 5.000 2.044 1.991 2.092 . 0 0 "[ . 1 . 2]" 1
371 1 24 LYS QE 1 24 LYS QG 1.800 . 5.000 2.344 2.127 2.883 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLN HA 1 25 GLN QG 1.800 . 5.000 2.641 2.388 3.346 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLN QB 1 25 GLN QG 1.800 . 5.000 2.076 2.016 2.089 . 0 0 "[ . 1 . 2]" 1
374 1 26 LYS HA 1 26 LYS QD 1.800 . 5.000 4.014 2.019 4.532 . 0 0 "[ . 1 . 2]" 1
375 1 26 LYS HA 1 26 LYS QG 1.800 . 4.000 3.164 2.363 3.474 . 0 0 "[ . 1 . 2]" 1
376 1 28 VAL HB 1 28 VAL QG 1.800 . 5.000 1.894 1.885 1.902 . 0 0 "[ . 1 . 2]" 1
377 1 32 ILE HA 1 32 ILE MG 1.800 . 5.000 3.217 3.207 3.224 . 0 0 "[ . 1 . 2]" 1
378 1 32 ILE HA 1 32 ILE MD 1.800 . 6.000 3.402 2.074 3.829 . 0 0 "[ . 1 . 2]" 1
379 1 32 ILE HB 1 32 ILE MD 1.800 . 5.000 2.491 2.368 3.229 . 0 0 "[ . 1 . 2]" 1
380 1 32 ILE HG13 1 32 ILE MG 1.800 . 5.000 2.998 2.462 3.218 . 0 0 "[ . 1 . 2]" 1
381 1 33 GLN HA 1 33 GLN QG 1.800 . 5.000 2.388 2.188 3.297 . 0 0 "[ . 1 . 2]" 1
382 1 33 GLN HG2 1 42 ALA HA 1.800 . 6.000 3.773 2.219 4.499 . 0 0 "[ . 1 . 2]" 1
383 1 33 GLN HG3 1 42 ALA HA 1.800 . 6.000 3.293 2.341 5.046 . 0 0 "[ . 1 . 2]" 1
384 1 33 GLN HG2 1 42 ALA MB 1.800 . 6.000 3.669 2.320 4.391 . 0 0 "[ . 1 . 2]" 1
385 1 33 GLN HG3 1 42 ALA MB 1.800 . 6.000 3.011 2.050 4.758 . 0 0 "[ . 1 . 2]" 1
386 1 36 LYS HA 1 36 LYS HD2 1.800 . 6.000 3.086 1.941 4.651 . 0 0 "[ . 1 . 2]" 1
387 1 36 LYS HA 1 36 LYS HD3 1.800 . 6.000 3.409 1.924 4.662 . 0 0 "[ . 1 . 2]" 1
388 1 36 LYS HA 1 36 LYS QE 1.800 . 6.000 3.786 1.798 5.007 0.002 12 0 "[ . 1 . 2]" 1
389 1 36 LYS QE 1 36 LYS QG 1.800 . 5.000 2.246 2.079 2.372 . 0 0 "[ . 1 . 2]" 1
390 1 36 LYS QE 1 36 LYS HG2 1.800 . 5.000 2.606 2.194 3.341 . 0 0 "[ . 1 . 2]" 1
391 1 36 LYS QE 1 36 LYS HG3 1.800 . 5.000 2.645 2.349 3.331 . 0 0 "[ . 1 . 2]" 1
392 1 41 THR HA 1 41 THR MG 1.800 . 5.000 2.233 2.154 2.274 . 0 0 "[ . 1 . 2]" 1
393 1 41 THR MG 1 42 ALA HA 1.800 . 5.000 4.323 3.801 4.798 . 0 0 "[ . 1 . 2]" 1
394 1 45 VAL HA 1 45 VAL QG 1.800 . 5.000 2.138 2.128 2.145 . 0 0 "[ . 1 . 2]" 1
395 1 45 VAL HA 1 45 VAL MG1 1.800 . 5.000 2.382 2.345 2.400 . 0 0 "[ . 1 . 2]" 1
396 1 45 VAL HA 1 45 VAL MG2 1.800 . 5.000 2.418 2.401 2.453 . 0 0 "[ . 1 . 2]" 1
397 1 45 VAL QG 1 46 THR HA 1.800 . 5.000 3.587 3.520 3.703 . 0 0 "[ . 1 . 2]" 1
398 1 46 THR HA 1 46 THR MG 1.800 . 5.000 3.220 3.210 3.223 . 0 0 "[ . 1 . 2]" 1
399 1 45 VAL HB 1 46 THR MG 1.800 . 5.000 4.205 3.956 4.390 . 0 0 "[ . 1 . 2]" 1
400 1 46 THR MG 1 47 CYS HB3 1.800 . 5.000 4.558 4.403 4.746 . 0 0 "[ . 1 . 2]" 1
401 1 46 THR MG 1 47 CYS HA 1.800 . 5.000 3.365 3.270 3.522 . 0 0 "[ . 1 . 2]" 1
402 1 46 THR MG 1 47 CYS HB2 1.800 . 5.000 3.996 3.830 4.172 . 0 0 "[ . 1 . 2]" 1
403 1 50 LYS QE 1 50 LYS HG2 1.800 . 6.000 3.137 2.192 3.540 . 0 0 "[ . 1 . 2]" 1
404 1 50 LYS QE 1 50 LYS HG3 1.800 . 6.000 2.963 2.336 3.524 . 0 0 "[ . 1 . 2]" 1
405 1 50 LYS QB 1 50 LYS QE 1.800 . 5.000 2.358 1.823 3.303 . 0 0 "[ . 1 . 2]" 1
406 1 53 LEU HA 1 53 LEU MD1 1.800 . 5.000 3.660 3.642 3.697 . 0 0 "[ . 1 . 2]" 1
407 1 53 LEU HA 1 53 LEU MD2 1.800 . 6.000 4.054 4.029 4.072 . 0 0 "[ . 1 . 2]" 1
408 1 53 LEU HB2 1 53 LEU MD1 1.800 . 5.000 2.262 2.217 2.292 . 0 0 "[ . 1 . 2]" 1
409 1 53 LEU HB3 1 53 LEU MD1 1.800 . 5.000 3.194 3.168 3.208 . 0 0 "[ . 1 . 2]" 1
410 1 53 LEU HB2 1 53 LEU MD2 1.800 . 6.000 2.537 2.487 2.604 . 0 0 "[ . 1 . 2]" 1
411 1 53 LEU HB3 1 53 LEU MD2 1.800 . 6.000 2.208 2.172 2.232 . 0 0 "[ . 1 . 2]" 1
412 1 53 LEU MD1 1 53 LEU MD2 1.800 . 6.000 2.087 2.080 2.094 . 0 0 "[ . 1 . 2]" 1
413 1 54 TYR HA 1 54 TYR QD 1.800 . 4.500 2.960 2.698 3.138 . 0 0 "[ . 1 . 2]" 1
414 1 55 MET HA 1 55 MET QG 1.800 . 5.000 2.296 2.214 2.415 . 0 0 "[ . 1 . 2]" 1
415 1 55 MET ME 1 55 MET HG3 1.800 . 3.000 2.546 2.423 2.635 . 0 0 "[ . 1 . 2]" 1
416 1 55 MET ME 1 55 MET HG2 1.800 . 3.000 2.468 2.395 2.604 . 0 0 "[ . 1 . 2]" 1
417 1 56 LYS HB2 1 56 LYS QE 1.800 . 6.000 3.740 2.553 4.490 . 0 0 "[ . 1 . 2]" 1
418 1 56 LYS HB3 1 56 LYS QE 1.800 . 6.000 3.592 2.093 4.403 . 0 0 "[ . 1 . 2]" 1
419 1 57 MET HA 1 57 MET QG 1.800 . 5.000 2.476 2.357 2.831 . 0 0 "[ . 1 . 2]" 1
420 1 57 MET ME 1 57 MET HG3 1.800 . 3.000 2.485 2.397 2.624 . 0 0 "[ . 1 . 2]" 1
421 1 57 MET ME 1 57 MET HG2 1.800 . 3.000 2.498 2.343 2.588 . 0 0 "[ . 1 . 2]" 1
422 1 59 PRO HA 1 59 PRO HD3 1.800 . 6.000 3.913 3.688 4.018 . 0 0 "[ . 1 . 2]" 1
423 1 59 PRO HA 1 59 PRO HD2 1.800 . 6.000 3.976 3.880 4.090 . 0 0 "[ . 1 . 2]" 1
424 1 59 PRO HB3 1 60 VAL MG1 1.800 . 6.000 5.828 5.566 6.034 0.034 18 0 "[ . 1 . 2]" 1
425 1 59 PRO HB2 1 60 VAL MG2 1.800 . 6.000 5.416 5.008 6.005 0.005 6 0 "[ . 1 . 2]" 1
426 1 60 VAL HA 1 60 VAL QG 1.800 . 5.000 2.208 2.113 2.255 . 0 0 "[ . 1 . 2]" 1
427 1 60 VAL HB 1 60 VAL QG 1.800 . 5.000 1.891 1.871 1.898 . 0 0 "[ . 1 . 2]" 1
428 1 60 VAL HA 1 60 VAL MG1 1.800 . 5.000 2.509 2.224 3.215 . 0 0 "[ . 1 . 2]" 1
429 1 60 VAL HA 1 60 VAL MG2 1.800 . 5.000 2.914 2.241 3.213 . 0 0 "[ . 1 . 2]" 1
430 1 61 LYS HA 1 61 LYS QD 1.800 . 6.000 3.503 1.950 4.412 . 0 0 "[ . 1 . 2]" 1
431 1 61 LYS HA 1 61 LYS QG 1.800 . 5.000 2.540 2.195 3.448 . 0 0 "[ . 1 . 2]" 1
432 1 61 LYS QB 1 61 LYS QE 1.800 . 5.000 2.192 1.834 3.718 . 0 0 "[ . 1 . 2]" 1
433 1 63 LEU HA 1 63 LEU MD2 1.800 . 6.000 3.793 3.256 4.033 . 0 0 "[ . 1 . 2]" 1
434 1 63 LEU QB 1 63 LEU QD 1.800 . 6.000 1.915 1.870 1.945 . 0 0 "[ . 1 . 2]" 1
435 1 63 LEU QB 1 63 LEU MD2 1.800 . 6.000 2.109 2.073 2.191 . 0 0 "[ . 1 . 2]" 1
436 1 63 LEU QB 1 63 LEU MD1 1.800 . 6.000 2.210 2.061 2.304 . 0 0 "[ . 1 . 2]" 1
437 1 64 THR HA 1 64 THR MG 1.800 . 5.000 2.517 2.210 3.222 . 0 0 "[ . 1 . 2]" 1
438 1 64 THR HB 1 64 THR HG1 1.800 . 5.000 1.972 1.895 2.080 . 0 0 "[ . 1 . 2]" 1
439 1 68 THR HA 1 68 THR MG 1.800 . 5.000 2.551 2.265 3.222 . 0 0 "[ . 1 . 2]" 1
440 1 69 THR HA 1 69 THR MG 1.800 . 5.000 2.607 2.300 3.221 . 0 0 "[ . 1 . 2]" 1
441 1 71 SER HA 1 72 VAL QG 1.800 . 5.000 3.348 3.158 3.482 . 0 0 "[ . 1 . 2]" 1
442 1 72 VAL HA 1 72 VAL QG 1.800 . 5.000 2.128 2.105 2.145 . 0 0 "[ . 1 . 2]" 1
443 1 72 VAL QG 1 73 ARG QB 1.800 . 5.500 4.178 3.918 4.556 . 0 0 "[ . 1 . 2]" 1
444 1 73 ARG HA 1 73 ARG QD 1.800 . 5.000 4.187 3.539 4.551 . 0 0 "[ . 1 . 2]" 1
445 1 73 ARG HA 1 73 ARG QG 1.800 . 5.000 2.854 2.336 3.373 . 0 0 "[ . 1 . 2]" 1
446 1 73 ARG QB 1 73 ARG QD 1.800 . 6.000 2.186 2.068 2.359 . 0 0 "[ . 1 . 2]" 1
447 1 73 ARG QD 1 73 ARG QG 1.800 . 5.000 2.053 1.994 2.091 . 0 0 "[ . 1 . 2]" 1
448 1 74 LYS QE 1 74 LYS HG2 1.800 . 5.000 2.757 2.338 3.398 . 0 0 "[ . 1 . 2]" 1
449 1 74 LYS QE 1 74 LYS HG3 1.800 . 5.000 2.637 2.290 3.325 . 0 0 "[ . 1 . 2]" 1
450 1 75 THR HA 1 75 THR MG 1.800 . 5.000 2.375 2.327 2.432 . 0 0 "[ . 1 . 2]" 1
451 1 75 THR MG 1 76 ALA HA 1.800 . 5.000 3.789 3.375 4.107 . 0 0 "[ . 1 . 2]" 1
452 1 77 TYR HA 1 77 TYR QD 1.800 . 5.500 2.615 2.092 3.028 . 0 0 "[ . 1 . 2]" 1
453 1 80 VAL HA 1 80 VAL MG1 1.800 . 5.000 2.502 2.306 3.217 . 0 0 "[ . 1 . 2]" 1
454 1 80 VAL HA 1 80 VAL MG2 1.800 . 5.000 3.037 2.315 3.213 . 0 0 "[ . 1 . 2]" 1
455 1 80 VAL MG2 1 81 HIS HA 1.800 . 5.000 3.793 3.502 4.227 . 0 0 "[ . 1 . 2]" 1
456 1 81 HIS HA 1 81 HIS HD2 1.800 . 5.000 3.512 2.993 3.893 . 0 0 "[ . 1 . 2]" 1
457 1 81 HIS HB3 1 82 THR HA 1.800 . 5.000 4.311 4.009 4.868 . 0 0 "[ . 1 . 2]" 1
458 1 81 HIS HD2 1 82 THR HA 1.800 . 5.500 4.182 3.207 5.151 . 0 0 "[ . 1 . 2]" 1
459 1 82 THR HA 1 82 THR HG1 1.800 . 5.000 2.276 2.098 3.002 . 0 0 "[ . 1 . 2]" 1
460 1 82 THR HB 1 82 THR HG1 1.800 . 5.000 1.994 1.897 2.078 . 0 0 "[ . 1 . 2]" 1
461 1 82 THR HA 1 82 THR MG 1.800 . 5.000 2.324 2.148 3.223 . 0 0 "[ . 1 . 2]" 1
462 1 84 PRO HA 1 84 PRO HD2 1.800 . 6.000 3.956 3.855 4.099 . 0 0 "[ . 1 . 2]" 1
463 1 84 PRO HA 1 84 PRO HD3 1.800 . 6.000 3.726 3.384 4.006 . 0 0 "[ . 1 . 2]" 1
464 1 80 VAL HB 1 84 PRO HD3 1.800 . 5.000 4.876 4.345 5.029 0.029 17 0 "[ . 1 . 2]" 1
465 1 11 ILE QG 1 12 PRO QD 1.800 . 5.500 2.819 2.401 3.469 . 0 0 "[ . 1 . 2]" 1
466 1 16 TRP HA 1 17 LYS HA 1.800 . 5.000 4.474 4.318 4.708 . 0 0 "[ . 1 . 2]" 1
467 1 16 TRP HD1 1 17 LYS QB 1.800 . 6.000 5.377 4.024 6.017 0.017 7 0 "[ . 1 . 2]" 1
468 1 20 CYS HA 1 43 PHE HA 1.800 . 4.000 2.221 1.969 2.528 . 0 0 "[ . 1 . 2]" 1
469 1 20 CYS QB 1 43 PHE HA 1.800 . 4.800 2.504 2.155 3.051 . 0 0 "[ . 1 . 2]" 1
470 1 19 THR MG 1 26 LYS HA 1.800 . 4.600 3.434 2.111 4.602 0.002 15 0 "[ . 1 . 2]" 1
471 1 19 THR HA 1 26 LYS HA 1.800 . 4.000 2.706 1.881 3.997 . 0 0 "[ . 1 . 2]" 1
472 1 19 THR HA 1 26 LYS QB 1.800 . 3.500 2.710 1.967 3.506 0.006 13 0 "[ . 1 . 2]" 1
473 1 19 THR MG 1 26 LYS QB 1.800 . 4.000 3.011 2.291 4.000 0.000 10 0 "[ . 1 . 2]" 1
474 1 19 THR MG 1 25 GLN HA 1.800 . 5.000 3.854 3.106 4.715 . 0 0 "[ . 1 . 2]" 1
475 1 31 SER HA 1 44 HIS HA 1.800 . 2.800 2.174 1.887 2.438 . 0 0 "[ . 1 . 2]" 1
476 1 31 SER HA 1 44 HIS QB 1.800 . 6.000 4.115 3.775 4.446 . 0 0 "[ . 1 . 2]" 1
477 1 31 SER HA 1 44 HIS HD2 1.800 . 4.500 3.046 2.586 3.786 . 0 0 "[ . 1 . 2]" 1
478 1 31 SER QB 1 44 HIS HA 1.800 . 5.000 3.827 3.347 4.104 . 0 0 "[ . 1 . 2]" 1
479 1 31 SER HA 1 45 VAL MG2 1.800 . 4.500 3.663 3.069 4.051 . 0 0 "[ . 1 . 2]" 1
480 1 18 LEU QD 1 31 SER QB 1.800 . 4.000 3.239 2.063 4.006 0.006 14 0 "[ . 1 . 2]" 1
481 1 31 SER HB3 1 44 HIS HD2 1.800 . 4.000 3.754 2.805 4.015 0.015 18 0 "[ . 1 . 2]" 1
482 1 33 GLN HA 1 42 ALA HA 1.800 . 2.800 2.273 2.017 2.564 . 0 0 "[ . 1 . 2]" 1
483 1 31 SER QB 1 42 ALA MB 1.800 . 5.000 3.329 2.308 3.917 . 0 0 "[ . 1 . 2]" 1
484 1 33 GLN HA 1 42 ALA MB 1.800 . 3.800 3.542 3.086 3.808 0.008 2 0 "[ . 1 . 2]" 1
485 1 33 GLN QB 1 42 ALA MB 1.800 . 5.000 3.789 2.347 4.747 . 0 0 "[ . 1 . 2]" 1
486 1 33 GLN QG 1 42 ALA MB 1.800 . 5.000 2.667 2.012 3.689 . 0 0 "[ . 1 . 2]" 1
487 1 33 GLN QB 1 42 ALA HA 1.800 . 6.000 3.792 1.973 4.500 . 0 0 "[ . 1 . 2]" 1
488 1 44 HIS HA 1 45 VAL MG2 1.800 . 5.500 3.577 3.479 3.641 . 0 0 "[ . 1 . 2]" 1
489 1 44 HIS QB 1 47 CYS QB 1.800 . 5.500 2.735 2.215 3.094 . 0 0 "[ . 1 . 2]" 1
490 1 32 ILE MG 1 43 PHE QE 1.800 . 4.000 2.884 2.659 3.397 . 0 0 "[ . 1 . 2]" 1
491 1 32 ILE MD 1 45 VAL HA 1.800 . 6.000 4.636 3.806 5.949 . 0 0 "[ . 1 . 2]" 1
492 1 32 ILE MG 1 45 VAL HA 1.800 . 3.000 2.803 2.445 3.003 0.003 5 0 "[ . 1 . 2]" 1
493 1 32 ILE MG 1 45 VAL MG2 1.800 . 4.000 2.741 2.462 2.963 . 0 0 "[ . 1 . 2]" 1
494 1 46 THR HA 1 49 GLN QB 1.800 . 4.800 2.969 2.410 4.158 . 0 0 "[ . 1 . 2]" 1
495 1 46 THR HA 1 49 GLN QG 1.800 . 4.800 3.401 2.117 3.991 . 0 0 "[ . 1 . 2]" 1
496 1 47 CYS HA 1 50 LYS HB3 1.800 . 4.000 3.191 2.440 4.007 0.007 5 0 "[ . 1 . 2]" 1
497 1 47 CYS HA 1 50 LYS HB2 1.800 . 4.000 2.642 2.057 3.346 . 0 0 "[ . 1 . 2]" 1
498 1 46 THR HB 1 50 LYS QE 1.800 . 5.000 4.726 4.319 5.008 0.008 10 0 "[ . 1 . 2]" 1
499 1 22 LEU QD 1 47 CYS HA 1.800 . 5.500 3.496 2.784 3.975 . 0 0 "[ . 1 . 2]" 1
500 1 22 LEU QD 1 47 CYS QB 1.800 . 3.500 2.037 1.840 2.959 . 0 0 "[ . 1 . 2]" 1
501 1 44 HIS HA 1 47 CYS QB 1.800 . 5.000 4.378 4.204 4.823 . 0 0 "[ . 1 . 2]" 1
502 1 48 ALA HA 1 51 ALA MB 1.800 . 4.500 2.916 2.482 3.193 . 0 0 "[ . 1 . 2]" 1
503 1 45 VAL HA 1 48 ALA MB 1.800 . 5.000 2.769 2.489 3.046 . 0 0 "[ . 1 . 2]" 1
504 1 48 ALA MB 1 49 GLN QG 1.800 . 4.500 3.121 2.894 4.078 . 0 0 "[ . 1 . 2]" 1
505 1 45 VAL QG 1 48 ALA MB 1.800 . 5.000 3.305 3.136 3.471 . 0 0 "[ . 1 . 2]" 1
506 1 22 LEU QD 1 51 ALA MB 1.800 . 3.300 2.355 1.955 2.762 . 0 0 "[ . 1 . 2]" 1
507 1 47 CYS HA 1 51 ALA MB 1.800 . 5.500 4.526 4.251 4.979 . 0 0 "[ . 1 . 2]" 1
508 1 48 ALA HA 1 53 LEU MD1 1.800 . 3.500 3.219 2.844 3.486 . 0 0 "[ . 1 . 2]" 1
509 1 48 ALA HA 1 53 LEU MD2 1.800 . 3.500 2.305 2.074 2.592 . 0 0 "[ . 1 . 2]" 1
510 1 53 LEU MD2 1 78 CYS HA 1.800 . 3.500 2.337 1.985 2.845 . 0 0 "[ . 1 . 2]" 1
511 1 53 LEU MD1 1 76 ALA MB 1.800 . 4.000 2.645 2.157 3.081 . 0 0 "[ . 1 . 2]" 1
512 1 48 ALA HA 1 53 LEU HG 1.800 . 3.500 2.551 2.119 2.731 . 0 0 "[ . 1 . 2]" 1
513 1 48 ALA MB 1 53 LEU MD2 1.800 . 3.000 2.636 2.318 3.005 0.005 17 0 "[ . 1 . 2]" 1
514 1 48 ALA MB 1 53 LEU MD1 1.800 . 5.500 2.020 1.879 2.245 . 0 0 "[ . 1 . 2]" 1
515 1 51 ALA MB 1 53 LEU MD2 1.800 . 3.000 2.568 2.257 2.848 . 0 0 "[ . 1 . 2]" 1
516 1 43 PHE QE 1 53 LEU QD 1.800 . 5.000 2.107 1.914 2.439 . 0 0 "[ . 1 . 2]" 1
517 1 53 LEU QD 1 79 ASP HA 1.800 . 4.000 3.155 2.774 3.512 . 0 0 "[ . 1 . 2]" 1
518 1 53 LEU QD 1 79 ASP HB3 1.800 . 4.000 3.208 2.133 4.018 0.018 13 0 "[ . 1 . 2]" 1
519 1 53 LEU QD 1 79 ASP HB2 1.800 . 4.000 3.065 2.134 3.959 . 0 0 "[ . 1 . 2]" 1
520 1 55 MET HA 1 76 ALA HA 1.800 . 3.000 2.266 1.973 2.886 . 0 0 "[ . 1 . 2]" 1
521 1 55 MET HA 1 76 ALA MB 1.800 . 4.000 2.854 2.478 3.247 . 0 0 "[ . 1 . 2]" 1
522 1 55 MET QB 1 76 ALA HA 1.800 . 5.000 4.169 3.741 5.003 0.003 6 0 "[ . 1 . 2]" 1
523 1 55 MET QG 1 76 ALA HA 1.800 . 6.500 3.153 2.689 3.900 . 0 0 "[ . 1 . 2]" 1
524 1 55 MET QB 1 76 ALA MB 1.800 . 5.500 3.563 3.172 4.011 . 0 0 "[ . 1 . 2]" 1
525 1 55 MET HG3 1 76 ALA MB 1.800 . 3.000 2.859 1.906 3.011 0.011 19 0 "[ . 1 . 2]" 1
526 1 55 MET HG2 1 76 ALA MB 1.800 . 3.000 2.112 1.798 3.009 0.009 9 0 "[ . 1 . 2]" 1
527 1 63 LEU QB 1 68 THR HA 1.800 . 5.300 3.583 2.853 4.294 . 0 0 "[ . 1 . 2]" 1
528 1 61 LYS HA 1 70 PHE HA 1.800 . 3.300 2.920 2.114 3.303 0.003 16 0 "[ . 1 . 2]" 1
529 1 58 GLU QB 1 74 LYS HA 1.800 . 5.000 4.873 4.523 5.015 0.015 5 0 "[ . 1 . 2]" 1
530 1 58 GLU QG 1 74 LYS HA 1.800 . 5.000 4.792 4.133 5.006 0.006 13 0 "[ . 1 . 2]" 1
531 1 41 THR HB 1 78 CYS QB 1.800 . 4.000 2.213 2.011 2.580 . 0 0 "[ . 1 . 2]" 1
532 1 41 THR MG 1 78 CYS QB 1.800 . 5.500 2.349 2.186 2.548 . 0 0 "[ . 1 . 2]" 1
533 1 17 LYS HA 1 18 LEU QD 1.800 . 5.500 3.727 2.797 4.791 . 0 0 "[ . 1 . 2]" 1
534 1 20 CYS QB 1 44 HIS HE1 1.800 . 6.000 2.701 2.429 2.961 . 0 0 "[ . 1 . 2]" 1
535 1 33 GLN HE21 1 33 GLN HG3 1.800 . 3.000 2.399 2.174 2.717 . 0 0 "[ . 1 . 2]" 1
536 1 33 GLN HE21 1 33 GLN HG2 1.800 . 3.000 2.518 2.187 2.724 . 0 0 "[ . 1 . 2]" 1
537 1 18 LEU MD1 1 33 GLN HE21 1.800 . 5.000 3.690 1.912 5.002 0.002 12 0 "[ . 1 . 2]" 1
538 1 18 LEU MD2 1 33 GLN HE21 1.800 . 6.000 4.075 1.983 5.994 . 0 0 "[ . 1 . 2]" 1
539 1 18 LEU QB 1 33 GLN HE21 1.800 . 5.000 4.087 2.538 5.009 0.009 9 0 "[ . 1 . 2]" 1
540 1 33 GLN HE21 1 40 TYR QD 1.800 . 5.000 4.029 2.115 5.007 0.007 3 0 "[ . 1 . 2]" 1
541 1 33 GLN HE22 1 33 GLN HG3 1.800 . 3.500 3.476 3.389 3.574 0.074 3 0 "[ . 1 . 2]" 1
542 1 33 GLN HE22 1 33 GLN HG2 1.800 . 3.500 3.511 3.395 3.571 0.071 5 0 "[ . 1 . 2]" 1
543 1 18 LEU MD1 1 33 GLN HE22 1.800 . 4.500 3.646 2.398 4.503 0.003 4 0 "[ . 1 . 2]" 1
544 1 18 LEU MD2 1 33 GLN HE22 1.800 . 5.000 3.848 2.313 5.003 0.003 5 0 "[ . 1 . 2]" 1
545 1 33 GLN HE22 1 40 TYR QD 1.800 . 5.000 3.920 2.975 4.614 . 0 0 "[ . 1 . 2]" 1
546 1 33 GLN HE22 1 40 TYR HA 1.800 . 5.000 4.536 3.085 5.008 0.008 9 0 "[ . 1 . 2]" 1
547 1 18 LEU QB 1 33 GLN HE22 1.800 . 5.000 4.299 3.159 5.009 0.009 10 0 "[ . 1 . 2]" 1
548 1 23 CYS QB 1 25 GLN HE21 1.800 . 5.000 3.606 2.255 5.001 0.001 6 0 "[ . 1 . 2]" 1
549 1 23 CYS QB 1 25 GLN HE22 1.800 . 5.000 4.300 3.672 5.003 0.003 3 0 "[ . 1 . 2]" 1
550 1 25 GLN QB 1 25 GLN HE21 1.800 . 4.000 2.303 1.785 3.751 0.015 7 0 "[ . 1 . 2]" 1
551 1 25 GLN QB 1 25 GLN HE22 1.800 . 4.000 3.401 3.169 4.015 0.015 15 0 "[ . 1 . 2]" 1
552 1 25 GLN HE22 1 44 HIS HE1 1.800 . 5.500 5.189 4.403 5.508 0.008 16 0 "[ . 1 . 2]" 1
553 1 25 GLN H 1 25 GLN HE22 1.800 . 6.000 5.808 4.563 6.013 0.013 1 0 "[ . 1 . 2]" 1
554 1 34 CYS HA 1 77 TYR HA 1.800 . 5.000 2.950 2.404 3.517 . 0 0 "[ . 1 . 2]" 1
555 1 34 CYS HA 1 77 TYR QD 1.800 . 5.000 4.348 3.652 5.000 . 0 0 "[ . 1 . 2]" 1
556 1 37 ALA MB 1 38 ASN HD21 1.800 . 4.000 3.276 2.499 4.013 0.013 14 0 "[ . 1 . 2]" 1
557 1 37 ALA MB 1 38 ASN HD22 1.800 . 4.000 3.673 3.075 4.006 0.006 4 0 "[ . 1 . 2]" 1
558 1 46 THR HA 1 49 GLN HE21 1.800 . 5.000 2.674 1.920 4.295 . 0 0 "[ . 1 . 2]" 1
559 1 46 THR HA 1 49 GLN HE22 1.800 . 5.000 3.495 2.739 4.503 . 0 0 "[ . 1 . 2]" 1
560 1 45 VAL MG1 1 49 GLN HE21 1.800 . 4.000 2.086 1.797 2.625 0.003 10 0 "[ . 1 . 2]" 1
561 1 45 VAL MG1 1 49 GLN HE22 1.800 . 4.000 2.859 2.408 3.691 . 0 0 "[ . 1 . 2]" 1
562 1 34 CYS HA 1 76 ALA MB 1.800 . 5.500 3.661 2.873 4.346 . 0 0 "[ . 1 . 2]" 1
563 1 28 VAL MG2 1 29 GLY QA 1.800 . 5.000 3.774 2.890 4.918 . 0 0 "[ . 1 . 2]" 1
564 1 29 GLY QA 1 30 ALA MB 1.800 . 5.500 3.671 3.588 3.783 . 0 0 "[ . 1 . 2]" 1
565 1 18 LEU HA 1 42 ALA MB 1.800 . 5.000 3.541 1.972 4.228 . 0 0 "[ . 1 . 2]" 1
566 1 18 LEU QB 1 42 ALA MB 1.800 . 4.800 2.077 1.798 3.366 0.002 5 0 "[ . 1 . 2]" 1
567 1 18 LEU QD 1 42 ALA MB 1.800 . 3.800 2.518 1.848 3.539 . 0 0 "[ . 1 . 2]" 1
568 1 19 THR MG 1 24 LYS HA 1.800 . 3.800 2.987 2.289 3.795 . 0 0 "[ . 1 . 2]" 1
569 1 19 THR MG 1 24 LYS QE 1.800 . 6.000 5.083 3.476 6.007 0.007 15 0 "[ . 1 . 2]" 1
570 1 35 HIS HD2 1 36 LYS HA 1.800 . 5.500 4.533 3.382 5.507 0.007 9 0 "[ . 1 . 2]" 1
571 1 35 HIS HD2 1 36 LYS QB 1.800 . 6.000 5.110 3.446 6.003 0.003 2 0 "[ . 1 . 2]" 1
572 1 36 LYS QB 1 77 TYR QD 1.800 . 5.500 3.544 2.927 4.535 . 0 0 "[ . 1 . 2]" 1
573 1 22 LEU QB 1 47 CYS HA 1.800 . 4.800 3.990 3.712 4.586 . 0 0 "[ . 1 . 2]" 1
574 1 22 LEU QD 1 43 PHE QB 1.800 . 4.800 2.918 1.947 4.032 . 0 0 "[ . 1 . 2]" 1
575 1 22 LEU QD 1 43 PHE QD 1.800 . 4.800 3.523 2.675 4.714 . 0 0 "[ . 1 . 2]" 1
576 1 21 TYR HE2 1 22 LEU QD 1.800 . 4.000 2.704 2.329 3.636 . 0 0 "[ . 1 . 2]" 1
577 1 21 TYR HD1 1 43 PHE QB 1.800 . 4.000 2.842 2.480 3.149 . 0 0 "[ . 1 . 2]" 1
578 1 41 THR MG 1 78 CYS HB2 1.800 . 3.500 2.713 2.477 3.058 . 0 0 "[ . 1 . 2]" 1
579 1 41 THR MG 1 78 CYS HB3 1.800 . 4.500 2.584 2.331 2.779 . 0 0 "[ . 1 . 2]" 1
580 1 41 THR MG 1 78 CYS HA 1.800 . 5.000 4.430 4.245 4.668 . 0 0 "[ . 1 . 2]" 1
581 1 21 TYR QB 1 41 THR MG 1.800 . 5.000 3.604 3.046 4.224 . 0 0 "[ . 1 . 2]" 1
582 1 21 TYR HD1 1 41 THR MG 1.800 . 3.000 2.536 2.196 2.936 . 0 0 "[ . 1 . 2]" 1
583 1 21 TYR HE1 1 41 THR MG 1.800 . 3.000 2.464 2.222 2.892 . 0 0 "[ . 1 . 2]" 1
584 1 30 ALA MB 1 45 VAL HB 1.800 . 4.000 3.003 2.347 3.718 . 0 0 "[ . 1 . 2]" 1
585 1 30 ALA MB 1 45 VAL MG2 1.800 . 3.500 2.280 2.046 2.767 . 0 0 "[ . 1 . 2]" 1
586 1 54 TYR QD 1 82 THR MG 1.800 . 5.000 4.298 2.767 5.006 0.006 4 0 "[ . 1 . 2]" 1
587 1 77 TYR QB 1 82 THR MG 1.800 . 6.000 4.039 1.929 5.845 . 0 0 "[ . 1 . 2]" 1
588 1 54 TYR QB 1 82 THR MG 1.800 . 5.000 3.235 1.836 4.202 . 0 0 "[ . 1 . 2]" 1
589 1 32 ILE MD 1 76 ALA MB 1.800 . 3.000 2.391 1.907 3.006 0.006 8 0 "[ . 1 . 2]" 1
590 1 54 TYR QD 1 76 ALA MB 1.800 . 5.000 4.810 4.159 5.005 0.005 4 0 "[ . 1 . 2]" 1
591 1 35 HIS HD2 1 75 THR MG 1.800 . 4.000 3.282 2.057 4.007 0.007 6 0 "[ . 1 . 2]" 1
592 1 35 HIS HE1 1 75 THR MG 1.800 . 4.300 3.707 2.069 4.305 0.005 7 0 "[ . 1 . 2]" 1
593 1 35 HIS HB3 1 75 THR MG 1.800 . 5.500 3.894 2.578 5.504 0.004 11 0 "[ . 1 . 2]" 1
594 1 35 HIS HB2 1 75 THR MG 1.800 . 5.500 3.592 1.929 5.509 0.009 10 0 "[ . 1 . 2]" 1
595 1 75 THR MG 1 77 TYR QE 1.800 . 4.000 3.223 2.282 4.006 0.006 16 0 "[ . 1 . 2]" 1
596 1 43 PHE QB 1 48 ALA MB 1.800 . 5.000 4.356 3.821 4.801 . 0 0 "[ . 1 . 2]" 1
597 1 43 PHE HD2 1 48 ALA MB 1.800 . 3.000 2.497 1.913 3.002 0.002 17 0 "[ . 1 . 2]" 1
598 1 43 PHE HE2 1 48 ALA MB 1.800 . 4.000 1.939 1.824 2.106 . 0 0 "[ . 1 . 2]" 1
599 1 41 THR MG 1 43 PHE HE1 1.800 . 4.000 3.922 3.699 4.005 0.005 7 0 "[ . 1 . 2]" 1
600 1 56 LYS QB 1 75 THR MG 1.800 . 5.500 3.342 3.178 3.679 . 0 0 "[ . 1 . 2]" 1
601 1 56 LYS QG 1 75 THR HB 1.800 . 5.500 3.886 3.327 4.463 . 0 0 "[ . 1 . 2]" 1
602 1 56 LYS HB3 1 75 THR HB 1.800 . 4.000 2.235 1.802 2.790 . 0 0 "[ . 1 . 2]" 1
603 1 56 LYS HB2 1 75 THR HB 1.800 . 4.000 3.405 2.211 4.003 0.003 9 0 "[ . 1 . 2]" 1
604 1 54 TYR QE 1 56 LYS HB2 1.800 . 4.000 2.441 1.914 3.269 . 0 0 "[ . 1 . 2]" 1
605 1 54 TYR QE 1 55 MET HA 1.800 . 5.000 4.701 4.492 5.002 0.002 9 0 "[ . 1 . 2]" 1
606 1 54 TYR QD 1 55 MET HA 1.800 . 5.000 3.640 3.345 3.949 . 0 0 "[ . 1 . 2]" 1
607 1 54 TYR QD 1 76 ALA HA 1.800 . 5.000 3.749 2.751 4.172 . 0 0 "[ . 1 . 2]" 1
608 1 54 TYR QE 1 76 ALA HA 1.800 . 5.000 4.904 3.839 5.010 0.010 19 0 "[ . 1 . 2]" 1
609 1 76 ALA MB 1 77 TYR QE 1.800 . 6.500 5.837 5.589 6.128 . 0 0 "[ . 1 . 2]" 1
610 1 57 MET HA 1 57 MET ME 1.800 . 5.000 4.601 4.351 4.796 . 0 0 "[ . 1 . 2]" 1
611 1 57 MET HB3 1 57 MET ME 1.800 . 5.000 4.067 3.855 4.280 . 0 0 "[ . 1 . 2]" 1
612 1 57 MET HB2 1 57 MET ME 1.800 . 5.000 4.008 3.938 4.146 . 0 0 "[ . 1 . 2]" 1
613 1 57 MET HA 1 74 LYS HA 1.800 . 2.800 2.295 2.097 2.601 . 0 0 "[ . 1 . 2]" 1
614 1 57 MET HB3 1 74 LYS QG 1.800 . 4.500 3.520 2.985 4.120 . 0 0 "[ . 1 . 2]" 1
615 1 57 MET HB2 1 74 LYS QG 1.800 . 4.500 4.454 4.175 4.519 0.019 15 0 "[ . 1 . 2]" 1
616 1 57 MET HA 1 74 LYS HG3 1.800 . 4.500 3.397 2.725 4.504 0.004 3 0 "[ . 1 . 2]" 1
617 1 57 MET HA 1 74 LYS HG2 1.800 . 4.500 3.930 2.614 4.515 0.015 18 0 "[ . 1 . 2]" 1
618 1 57 MET ME 1 74 LYS HG3 1.800 . 4.500 3.484 2.597 4.509 0.009 12 0 "[ . 1 . 2]" 1
619 1 57 MET ME 1 74 LYS HG2 1.800 . 4.500 3.448 2.099 4.230 . 0 0 "[ . 1 . 2]" 1
620 1 57 MET QB 1 74 LYS HA 1.800 . 4.500 4.026 3.568 4.424 . 0 0 "[ . 1 . 2]" 1
621 1 57 MET ME 1 74 LYS HD3 1.800 . 4.500 3.097 2.098 4.511 0.011 10 0 "[ . 1 . 2]" 1
622 1 57 MET ME 1 74 LYS HD2 1.800 . 4.500 3.807 1.984 4.511 0.011 18 0 "[ . 1 . 2]" 1
623 1 58 GLU QB 1 73 ARG QB 1.800 . 4.500 2.856 1.884 4.209 . 0 0 "[ . 1 . 2]" 1
624 1 58 GLU QB 1 73 ARG HD3 1.800 . 4.000 3.217 2.439 4.003 0.003 3 0 "[ . 1 . 2]" 1
625 1 58 GLU QB 1 73 ARG HD2 1.800 . 4.000 3.214 1.889 4.011 0.011 19 0 "[ . 1 . 2]" 1
626 1 60 VAL QG 1 73 ARG QD 1.800 . 4.000 3.017 2.136 4.017 0.017 9 0 "[ . 1 . 2]" 1
627 1 43 PHE HE1 1 78 CYS HB3 1.800 . 4.500 2.635 2.291 3.143 . 0 0 "[ . 1 . 2]" 1
628 1 43 PHE HE1 1 78 CYS HB2 1.800 . 4.500 4.173 3.845 4.503 0.003 13 0 "[ . 1 . 2]" 1
629 1 59 PRO HA 1 72 VAL HA 1.800 . 2.500 2.405 2.163 2.515 0.015 19 0 "[ . 1 . 2]" 1
630 1 59 PRO HA 1 72 VAL MG2 1.800 . 4.300 3.375 2.812 3.960 . 0 0 "[ . 1 . 2]" 1
631 1 59 PRO HA 1 72 VAL MG1 1.800 . 4.300 3.004 2.396 3.588 . 0 0 "[ . 1 . 2]" 1
632 1 45 VAL MG1 1 55 MET ME 1.800 . 4.000 2.743 1.964 3.713 . 0 0 "[ . 1 . 2]" 1
633 1 25 GLN HE21 1 28 VAL MG1 1.800 . 4.000 3.369 2.535 4.005 0.005 17 0 "[ . 1 . 2]" 1
634 1 25 GLN HE22 1 28 VAL MG1 1.800 . 4.000 3.447 2.414 3.995 . 0 0 "[ . 1 . 2]" 1
635 1 60 VAL HB 1 71 SER QB 1.800 . 4.000 3.922 2.210 4.039 0.039 16 0 "[ . 1 . 2]" 1
636 1 60 VAL QG 1 71 SER QB 1.800 . 3.800 1.884 1.770 2.606 0.030 9 0 "[ . 1 . 2]" 1
637 1 14 ALA H 1 15 ARG HA 1.800 . 4.000 3.998 3.620 4.051 0.051 3 0 "[ . 1 . 2]" 1
638 1 14 ALA H 1 15 ARG QB 1.800 . 4.000 3.676 2.996 4.019 0.019 8 0 "[ . 1 . 2]" 1
639 1 21 TYR H 1 42 ALA H 1.800 . 5.500 4.617 3.871 5.171 . 0 0 "[ . 1 . 2]" 1
640 1 21 TYR H 1 43 PHE HA 1.800 . 4.500 3.365 2.961 3.697 . 0 0 "[ . 1 . 2]" 1
641 1 21 TYR H 1 44 HIS H 1.800 . 5.500 5.398 5.079 5.512 0.012 10 0 "[ . 1 . 2]" 1
642 1 15 ARG HA 1 17 LYS H 1.800 . 4.500 4.158 3.533 4.514 0.014 1 0 "[ . 1 . 2]" 1
643 1 32 ILE H 1 43 PHE H 1.800 . 3.500 3.082 2.845 3.358 . 0 0 "[ . 1 . 2]" 1
644 1 32 ILE H 1 44 HIS HA 1.800 . 3.500 3.083 2.747 3.424 . 0 0 "[ . 1 . 2]" 1
645 1 34 CYS H 1 42 ALA HA 1.800 . 5.000 3.371 2.723 3.791 . 0 0 "[ . 1 . 2]" 1
646 1 34 CYS H 1 42 ALA MB 1.800 . 5.000 4.630 3.906 4.992 . 0 0 "[ . 1 . 2]" 1
647 1 35 HIS H 1 77 TYR HA 1.800 . 5.000 2.902 2.532 3.402 . 0 0 "[ . 1 . 2]" 1
648 1 36 LYS H 1 77 TYR QD 1.800 . 5.000 4.886 3.694 5.031 0.031 9 0 "[ . 1 . 2]" 1
649 1 35 HIS HD1 1 36 LYS H 1.800 . 4.500 2.772 2.316 3.212 . 0 0 "[ . 1 . 2]" 1
650 1 35 HIS HE1 1 36 LYS H 1.800 . 5.000 4.548 3.879 5.026 0.026 6 0 "[ . 1 . 2]" 1
651 1 36 LYS H 1 39 CYS H 1.800 . 6.500 5.693 3.981 6.506 0.006 2 0 "[ . 1 . 2]" 1
652 1 39 CYS H 1 40 TYR HA 1.800 . 5.000 4.509 4.007 5.007 0.007 10 0 "[ . 1 . 2]" 1
653 1 39 CYS H 1 40 TYR H 1.800 . 5.300 2.924 2.071 4.191 . 0 0 "[ . 1 . 2]" 1
654 1 41 THR H 1 42 ALA H 1.800 . 5.000 4.407 4.199 4.502 . 0 0 "[ . 1 . 2]" 1
655 1 33 GLN HA 1 43 PHE H 1.800 . 5.000 3.379 2.987 3.665 . 0 0 "[ . 1 . 2]" 1
656 1 33 GLN QB 1 43 PHE H 1.800 . 5.500 4.927 3.617 5.510 0.010 15 0 "[ . 1 . 2]" 1
657 1 33 GLN QG 1 43 PHE H 1.800 . 5.500 4.495 3.640 4.987 . 0 0 "[ . 1 . 2]" 1
658 1 44 HIS H 1 47 CYS QB 1.800 . 3.800 2.416 2.154 3.128 . 0 0 "[ . 1 . 2]" 1
659 1 31 SER QB 1 45 VAL H 1.800 . 5.500 5.247 4.832 5.505 0.005 14 0 "[ . 1 . 2]" 1
660 1 44 HIS H 1 46 THR H 1.800 . 5.500 5.371 5.185 5.506 0.006 4 0 "[ . 1 . 2]" 1
661 1 44 HIS QB 1 46 THR H 1.800 . 4.800 2.613 2.448 2.829 . 0 0 "[ . 1 . 2]" 1
662 1 44 HIS H 1 47 CYS H 1.800 . 5.000 3.855 3.564 4.323 . 0 0 "[ . 1 . 2]" 1
663 1 44 HIS QB 1 47 CYS H 1.800 . 5.000 2.320 2.070 2.521 . 0 0 "[ . 1 . 2]" 1
664 1 45 VAL H 1 47 CYS H 1.800 . 4.500 4.001 3.855 4.317 . 0 0 "[ . 1 . 2]" 1
665 1 45 VAL HA 1 47 CYS H 1.800 . 4.800 4.173 3.959 4.517 . 0 0 "[ . 1 . 2]" 1
666 1 47 CYS H 1 48 ALA MB 1.800 . 5.000 4.210 4.111 4.325 . 0 0 "[ . 1 . 2]" 1
667 1 46 THR H 1 48 ALA H 1.800 . 4.800 4.143 3.924 4.241 . 0 0 "[ . 1 . 2]" 1
668 1 46 THR HA 1 48 ALA H 1.800 . 4.800 4.288 3.988 4.521 . 0 0 "[ . 1 . 2]" 1
669 1 45 VAL HA 1 48 ALA H 1.800 . 4.000 3.370 3.220 3.643 . 0 0 "[ . 1 . 2]" 1
670 1 48 ALA H 1 50 LYS H 1.800 . 4.800 3.870 3.694 4.170 . 0 0 "[ . 1 . 2]" 1
671 1 22 LEU MD1 1 48 ALA H 1.800 . 6.000 4.386 3.930 5.959 . 0 0 "[ . 1 . 2]" 1
672 1 45 VAL HA 1 49 GLN H 1.800 . 4.800 4.337 3.891 4.763 . 0 0 "[ . 1 . 2]" 1
673 1 47 CYS H 1 49 GLN H 1.800 . 5.000 4.155 3.961 4.464 . 0 0 "[ . 1 . 2]" 1
674 1 47 CYS H 1 50 LYS H 1.800 . 4.800 4.608 4.479 4.781 . 0 0 "[ . 1 . 2]" 1
675 1 48 ALA HA 1 51 ALA H 1.800 . 3.500 3.496 3.402 3.510 0.010 16 0 "[ . 1 . 2]" 1
676 1 49 GLN H 1 51 ALA H 1.800 . 5.000 4.149 3.845 4.347 . 0 0 "[ . 1 . 2]" 1
677 1 49 GLN H 1 52 GLY H 1.800 . 5.000 4.613 4.435 4.764 . 0 0 "[ . 1 . 2]" 1
678 1 49 GLN QB 1 52 GLY H 1.800 . 5.500 4.933 4.765 5.240 . 0 0 "[ . 1 . 2]" 1
679 1 48 ALA HA 1 53 LEU H 1.800 . 5.500 3.737 3.320 4.020 . 0 0 "[ . 1 . 2]" 1
680 1 48 ALA MB 1 53 LEU H 1.800 . 5.500 3.902 3.390 4.263 . 0 0 "[ . 1 . 2]" 1
681 1 55 MET H 1 56 LYS HA 1.800 . 5.500 4.850 4.676 5.017 . 0 0 "[ . 1 . 2]" 1
682 1 56 LYS H 1 75 THR H 1.800 . 3.800 3.447 3.115 3.801 0.001 18 0 "[ . 1 . 2]" 1
683 1 56 LYS H 1 75 THR MG 1.800 . 4.300 4.272 4.066 4.307 0.007 18 0 "[ . 1 . 2]" 1
684 1 56 LYS H 1 76 ALA HA 1.800 . 3.800 2.795 2.298 3.216 . 0 0 "[ . 1 . 2]" 1
685 1 56 LYS H 1 57 MET ME 1.800 . 5.000 4.839 4.403 5.015 0.015 18 0 "[ . 1 . 2]" 1
686 1 60 VAL H 1 72 VAL HA 1.800 . 3.500 2.976 2.484 3.436 . 0 0 "[ . 1 . 2]" 1
687 1 60 VAL H 1 71 SER H 1.800 . 3.800 3.625 3.131 3.806 0.006 10 0 "[ . 1 . 2]" 1
688 1 62 GLU H 1 70 PHE HA 1.800 . 4.000 3.462 2.784 4.005 0.005 7 0 "[ . 1 . 2]" 1
689 1 62 GLU H 1 69 THR H 1.800 . 5.000 3.092 2.775 3.667 . 0 0 "[ . 1 . 2]" 1
690 1 63 LEU H 1 69 THR H 1.800 . 4.000 3.968 3.656 4.042 0.042 6 0 "[ . 1 . 2]" 1
691 1 63 LEU H 1 69 THR MG 1.800 . 4.000 3.927 3.340 4.040 0.040 17 0 "[ . 1 . 2]" 1
692 1 64 THR H 1 68 THR HA 1.800 . 5.000 4.611 3.686 5.048 0.048 9 0 "[ . 1 . 2]" 1
693 1 61 LYS HA 1 69 THR H 1.800 . 5.500 4.677 4.331 5.245 . 0 0 "[ . 1 . 2]" 1
694 1 61 LYS HA 1 71 SER H 1.800 . 3.800 3.369 2.358 3.805 0.005 11 0 "[ . 1 . 2]" 1
695 1 57 MET HA 1 75 THR H 1.800 . 3.800 3.292 2.839 3.804 0.004 13 0 "[ . 1 . 2]" 1
696 1 35 HIS H 1 76 ALA H 1.800 . 5.500 4.513 3.621 5.503 0.003 2 0 "[ . 1 . 2]" 1
697 1 34 CYS H 1 78 CYS H 1.800 . 5.000 4.808 4.387 5.006 0.006 1 0 "[ . 1 . 2]" 1
698 1 35 HIS H 1 78 CYS H 1.800 . 4.300 4.318 4.307 4.340 0.040 4 0 "[ . 1 . 2]" 1
699 1 77 TYR H 1 78 CYS H 1.800 . 4.800 4.408 4.305 4.472 . 0 0 "[ . 1 . 2]" 1
700 1 78 CYS H 1 79 ASP H 1.800 . 5.300 4.647 4.612 4.683 . 0 0 "[ . 1 . 2]" 1
701 1 78 CYS H 1 81 HIS H 1.800 . 5.500 4.572 4.344 4.880 . 0 0 "[ . 1 . 2]" 1
702 1 14 ALA MB 1 16 TRP HE1 1.800 . 5.500 4.303 2.947 5.502 0.002 11 0 "[ . 1 . 2]" 1
703 1 22 LEU H 1 47 CYS QB 1.800 . 5.500 4.378 4.243 4.750 . 0 0 "[ . 1 . 2]" 1
704 1 17 LYS HA 1 18 LEU H 1.800 . 3.000 2.525 2.117 3.019 0.019 14 0 "[ . 1 . 2]" 1
705 1 42 ALA H 1 43 PHE QD 1.800 . 5.500 3.958 3.809 4.135 . 0 0 "[ . 1 . 2]" 1
706 1 20 CYS QB 1 25 GLN H 1.800 . 4.500 3.361 2.652 4.038 . 0 0 "[ . 1 . 2]" 1
707 1 25 GLN H 1 44 HIS HE1 1.800 . 4.800 3.932 2.745 4.802 0.002 10 0 "[ . 1 . 2]" 1
708 1 19 THR MG 1 25 GLN H 1.800 . 3.600 3.521 3.215 3.629 0.029 20 0 "[ . 1 . 2]" 1
709 1 29 GLY H 1 44 HIS QB 1.800 . 5.300 5.190 4.667 5.318 0.018 12 0 "[ . 1 . 2]" 1
710 1 30 ALA H 1 44 HIS HD2 1.800 . 3.300 3.306 3.300 3.315 0.015 2 0 "[ . 1 . 2]" 1
711 1 30 ALA H 1 44 HIS QB 1.800 . 4.300 3.937 3.739 4.258 . 0 0 "[ . 1 . 2]" 1
712 1 54 TYR H 1 77 TYR H 1.800 . 5.500 4.470 4.124 5.111 . 0 0 "[ . 1 . 2]" 1
713 1 55 MET HA 1 77 TYR H 1.800 . 5.100 3.451 2.877 4.166 . 0 0 "[ . 1 . 2]" 1
714 1 43 PHE HE2 1 79 ASP H 1.800 . 5.500 5.505 5.495 5.509 0.009 5 0 "[ . 1 . 2]" 1
715 1 21 TYR QE 1 79 ASP H 1.800 . 4.500 3.829 3.330 4.464 . 0 0 "[ . 1 . 2]" 1
716 1 79 ASP H 1 81 HIS H 1.800 . 4.500 4.132 3.823 4.502 0.002 2 0 "[ . 1 . 2]" 1
717 1 80 VAL HA 1 82 THR H 1.800 . 4.000 3.563 2.977 4.006 0.006 6 0 "[ . 1 . 2]" 1
718 1 58 GLU H 1 72 VAL MG1 1.800 . 4.500 3.340 2.649 3.859 . 0 0 "[ . 1 . 2]" 1
719 1 58 GLU H 1 73 ARG H 1.800 . 3.800 3.190 2.929 3.436 . 0 0 "[ . 1 . 2]" 1
720 1 59 PRO HA 1 73 ARG H 1.800 . 3.500 3.426 3.167 3.510 0.010 11 0 "[ . 1 . 2]" 1
721 1 83 PRO HA 1 87 THR H 1.800 . 5.000 4.895 3.779 5.034 0.034 19 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 12
_Distance_constraint_stats_list.Viol_count 155
_Distance_constraint_stats_list.Viol_total 88.288
_Distance_constraint_stats_list.Viol_max 0.093
_Distance_constraint_stats_list.Viol_rms 0.0211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0184
_Distance_constraint_stats_list.Viol_average_violations_only 0.0285
_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 20 CYS 1.365 0.048 8 0 "[ . 1 . 2]"
1 23 CYS 1.192 0.069 11 0 "[ . 1 . 2]"
1 34 CYS 1.544 0.065 8 0 "[ . 1 . 2]"
1 39 CYS 1.291 0.093 5 0 "[ . 1 . 2]"
1 44 HIS 0.365 0.030 12 0 "[ . 1 . 2]"
1 47 CYS 1.322 0.069 11 0 "[ . 1 . 2]"
1 78 CYS 1.605 0.093 5 0 "[ . 1 . 2]"
1 81 HIS 0.144 0.013 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 CYS SG 1 23 CYS SG 3.600 3.600 4.200 3.646 3.555 4.222 0.045 8 0 "[ . 1 . 2]" 2
2 1 20 CYS SG 1 47 CYS SG 3.600 3.600 4.200 3.571 3.552 3.641 0.048 8 0 "[ . 1 . 2]" 2
3 1 20 CYS SG 1 44 HIS ND1 3.100 3.100 4.000 3.084 3.070 3.096 0.030 12 0 "[ . 1 . 2]" 2
4 1 23 CYS SG 1 47 CYS SG 3.600 3.600 4.200 4.194 3.646 4.269 0.069 11 0 "[ . 1 . 2]" 2
5 1 23 CYS SG 1 44 HIS ND1 3.100 3.100 4.000 3.301 3.088 4.011 0.012 6 0 "[ . 1 . 2]" 2
6 1 44 HIS ND1 1 47 CYS SG 3.100 3.100 4.000 3.495 3.131 3.954 . 0 0 "[ . 1 . 2]" 2
7 1 34 CYS SG 1 39 CYS SG 3.600 3.600 4.200 3.612 3.555 4.151 0.045 11 0 "[ . 1 . 2]" 2
8 1 34 CYS SG 1 78 CYS SG 3.600 3.600 4.200 3.555 3.535 3.583 0.065 8 0 "[ . 1 . 2]" 2
9 1 34 CYS SG 1 81 HIS ND1 3.100 3.100 4.000 3.112 3.087 3.254 0.013 3 0 "[ . 1 . 2]" 2
10 1 39 CYS SG 1 78 CYS SG 3.600 3.600 4.200 4.205 3.979 4.293 0.093 5 0 "[ . 1 . 2]" 2
11 1 39 CYS SG 1 81 HIS ND1 3.100 3.100 4.000 3.403 3.092 4.011 0.011 3 0 "[ . 1 . 2]" 2
12 1 78 CYS SG 1 81 HIS ND1 3.100 3.100 4.000 3.601 3.137 4.005 0.005 9 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 2.914
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0104
_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 32 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 CYS 0.146 0.023 17 0 "[ . 1 . 2]"
1 41 THR 0.146 0.023 17 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 48 ALA O 1 52 GLY H 2.000 . 3.000 1.914 1.768 2.196 . 0 0 "[ . 1 . 2]" 3
2 1 48 ALA O 1 52 GLY N 3.000 2.400 4.000 2.788 2.679 2.944 . 0 0 "[ . 1 . 2]" 3
3 1 47 CYS O 1 51 ALA H 2.000 . 3.000 1.932 1.765 2.301 . 0 0 "[ . 1 . 2]" 3
4 1 47 CYS O 1 51 ALA N 3.000 2.400 4.000 2.831 2.718 3.026 . 0 0 "[ . 1 . 2]" 3
5 1 46 THR O 1 50 LYS H 2.000 . 3.000 2.141 1.832 2.616 . 0 0 "[ . 1 . 2]" 3
6 1 46 THR O 1 50 LYS N 3.000 2.400 4.000 2.948 2.761 3.366 . 0 0 "[ . 1 . 2]" 3
7 1 45 VAL O 1 49 GLN H 2.000 . 3.000 2.234 2.025 2.564 . 0 0 "[ . 1 . 2]" 3
8 1 45 VAL O 1 49 GLN N 3.000 2.400 4.000 3.171 2.978 3.414 . 0 0 "[ . 1 . 2]" 3
9 1 44 HIS O 1 48 ALA H 2.000 . 3.000 2.103 1.870 2.367 . 0 0 "[ . 1 . 2]" 3
10 1 44 HIS O 1 48 ALA N 3.000 2.400 4.000 2.987 2.790 3.219 . 0 0 "[ . 1 . 2]" 3
11 1 54 TYR O 1 77 TYR H 2.000 . 3.000 2.204 1.923 2.650 . 0 0 "[ . 1 . 2]" 3
12 1 54 TYR O 1 77 TYR N 3.000 2.400 4.000 3.172 2.901 3.633 . 0 0 "[ . 1 . 2]" 3
13 1 56 LYS H 1 75 THR O 2.000 . 3.000 1.769 1.589 1.959 . 0 0 "[ . 1 . 2]" 3
14 1 56 LYS N 1 75 THR O 3.000 2.400 4.000 2.693 2.559 2.822 . 0 0 "[ . 1 . 2]" 3
15 1 56 LYS O 1 75 THR H 2.000 . 3.000 1.934 1.709 2.374 . 0 0 "[ . 1 . 2]" 3
16 1 56 LYS O 1 75 THR N 3.000 2.400 4.000 2.786 2.664 2.869 . 0 0 "[ . 1 . 2]" 3
17 1 58 GLU O 1 73 ARG H 2.000 . 3.000 1.781 1.628 1.966 . 0 0 "[ . 1 . 2]" 3
18 1 58 GLU O 1 73 ARG N 3.000 2.400 4.000 2.717 2.589 2.939 . 0 0 "[ . 1 . 2]" 3
19 1 58 GLU H 1 73 ARG O 2.000 . 3.000 1.912 1.646 2.400 . 0 0 "[ . 1 . 2]" 3
20 1 58 GLU N 1 73 ARG O 3.000 2.400 4.000 2.872 2.627 3.341 . 0 0 "[ . 1 . 2]" 3
21 1 60 VAL H 1 71 SER O 2.000 . 3.000 1.881 1.651 2.144 . 0 0 "[ . 1 . 2]" 3
22 1 60 VAL N 1 71 SER O 3.000 2.400 4.000 2.783 2.621 2.951 . 0 0 "[ . 1 . 2]" 3
23 1 60 VAL O 1 71 SER H 2.000 . 3.000 2.121 1.798 2.391 . 0 0 "[ . 1 . 2]" 3
24 1 60 VAL O 1 71 SER N 3.000 2.400 4.000 3.040 2.760 3.243 . 0 0 "[ . 1 . 2]" 3
25 1 62 GLU H 1 69 THR O 2.000 . 3.000 1.951 1.646 2.233 . 0 0 "[ . 1 . 2]" 3
26 1 62 GLU N 1 69 THR O 3.000 2.400 4.000 2.805 2.567 2.991 . 0 0 "[ . 1 . 2]" 3
27 1 62 GLU O 1 69 THR H 2.000 . 3.000 2.017 1.669 2.816 . 0 0 "[ . 1 . 2]" 3
28 1 62 GLU O 1 69 THR N 3.000 2.400 4.000 2.928 2.580 3.728 . 0 0 "[ . 1 . 2]" 3
29 1 34 CYS H 1 41 THR O 2.000 . 3.000 1.715 1.607 1.865 . 0 0 "[ . 1 . 2]" 3
30 1 34 CYS N 1 41 THR O 3.000 2.400 4.000 2.667 2.586 2.778 . 0 0 "[ . 1 . 2]" 3
31 1 34 CYS O 1 41 THR H 2.000 . 3.000 2.917 2.319 3.023 0.023 17 0 "[ . 1 . 2]" 3
32 1 34 CYS O 1 41 THR N 3.000 2.400 4.000 3.738 3.236 3.972 . 0 0 "[ . 1 . 2]" 3
33 1 32 ILE H 1 43 PHE O 2.000 . 3.000 1.762 1.652 1.935 . 0 0 "[ . 1 . 2]" 3
34 1 32 ILE N 1 43 PHE O 3.000 2.400 4.000 2.703 2.625 2.775 . 0 0 "[ . 1 . 2]" 3
35 1 32 ILE O 1 43 PHE H 2.000 . 3.000 1.961 1.856 2.068 . 0 0 "[ . 1 . 2]" 3
36 1 32 ILE O 1 43 PHE N 3.000 2.400 4.000 2.929 2.809 3.034 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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