NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628500 |
5xo9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xo9
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 354
_Distance_constraint_stats_list.Viol_count 3273
_Distance_constraint_stats_list.Viol_total 9119.854
_Distance_constraint_stats_list.Viol_max 0.773
_Distance_constraint_stats_list.Viol_rms 0.1047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0644
_Distance_constraint_stats_list.Viol_average_violations_only 0.1393
_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 2 SER 0.903 0.255 8 0 "[ . 1 . 2]"
1 3 LYS 12.997 0.433 11 0 "[ . 1 . 2]"
1 4 LYS 6.290 0.370 12 0 "[ . 1 . 2]"
1 5 PRO 2.331 0.136 17 0 "[ . 1 . 2]"
1 6 VAL 27.458 0.635 20 4 "[ * * 1 - . +]"
1 7 PRO 15.930 0.495 8 0 "[ . 1 . 2]"
1 8 ILE 50.561 0.773 5 17 "[****+*** *-****** *]"
1 9 ILE 39.715 0.592 8 4 "[ * + 1* -. 2]"
1 10 TYR 50.067 0.345 20 0 "[ . 1 . 2]"
1 11 CYS 23.554 0.443 20 0 "[ . 1 . 2]"
1 12 ASN 10.561 0.208 7 0 "[ . 1 . 2]"
1 13 ARG 15.869 0.644 10 1 "[ . + . 2]"
1 14 ARG 23.930 0.505 18 1 "[ . 1 . + 2]"
1 15 THR 13.239 0.293 1 0 "[ . 1 . 2]"
1 16 GLY 3.185 0.201 3 0 "[ . 1 . 2]"
1 17 LYS 22.671 0.373 7 0 "[ . 1 . 2]"
1 18 CYS 19.328 0.373 7 0 "[ . 1 . 2]"
1 19 GLN 23.193 0.315 15 0 "[ . 1 . 2]"
1 20 ARG 23.694 0.567 12 3 "[ . 1*+ -. 2]"
1 21 MET 13.219 0.635 20 2 "[ . 1 - . +]"
2 2 SER 2.541 0.242 15 0 "[ . 1 . 2]"
2 3 LYS 14.340 0.470 17 0 "[ . 1 . 2]"
2 4 LYS 5.801 0.315 13 0 "[ . 1 . 2]"
2 5 PRO 2.783 0.131 19 0 "[ . 1 . 2]"
2 6 VAL 22.531 0.469 13 0 "[ . 1 . 2]"
2 7 PRO 14.148 0.559 16 3 "[ .- 1 .+ *2]"
2 8 ILE 49.588 0.737 18 20 [*****-***********+**]
2 9 ILE 33.605 0.544 16 1 "[ . 1 .+ 2]"
2 10 TYR 49.885 0.370 18 0 "[ . 1 . 2]"
2 11 CYS 22.817 0.432 18 0 "[ . 1 . 2]"
2 12 ASN 11.323 0.338 14 0 "[ . 1 . 2]"
2 13 ARG 15.108 0.408 4 0 "[ . 1 . 2]"
2 14 ARG 24.202 0.704 19 2 "[ - 1 . +2]"
2 15 THR 13.181 0.704 19 1 "[ . 1 . +2]"
2 16 GLY 2.786 0.209 1 0 "[ . 1 . 2]"
2 17 LYS 22.936 0.364 9 0 "[ . 1 . 2]"
2 18 CYS 17.139 0.364 9 0 "[ . 1 . 2]"
2 19 GLN 23.939 0.289 15 0 "[ . 1 . 2]"
2 20 ARG 25.679 0.569 17 3 "[ . 1 .-+ *2]"
2 21 MET 14.416 0.595 7 2 "[ . + 1 . -]"
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 2 SER H 1 2 SER QB . . 3.200 2.481 2.171 3.026 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 3 LYS H . . 3.500 3.273 2.160 3.570 0.070 6 0 "[ . 1 . 2]" 1
3 1 2 SER QB 1 3 LYS H . . 3.000 2.896 2.050 3.255 0.255 8 0 "[ . 1 . 2]" 1
4 1 3 LYS H 1 3 LYS HA . . 3.000 2.888 2.752 2.948 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS H 1 3 LYS QB . . 2.900 2.811 2.492 3.130 0.230 13 0 "[ . 1 . 2]" 1
6 1 3 LYS H 1 3 LYS QD . . 2.700 2.150 1.815 2.718 0.018 16 0 "[ . 1 . 2]" 1
7 1 3 LYS H 1 3 LYS QE . . 3.600 3.347 1.977 3.703 0.103 10 0 "[ . 1 . 2]" 1
8 1 3 LYS H 1 3 LYS QG . . 3.100 2.446 1.730 3.139 0.039 10 0 "[ . 1 . 2]" 1
9 1 3 LYS H 1 5 PRO QG . . 5.200 4.386 3.477 4.919 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS H 1 6 VAL QG . . 4.100 4.049 3.643 4.436 0.336 14 0 "[ . 1 . 2]" 1
11 1 3 LYS HA 1 4 LYS H . . 3.200 3.433 3.312 3.570 0.370 12 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 8 ILE HA . . 6.000 6.263 6.132 6.433 0.433 11 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 4 LYS QB . . 3.400 2.377 2.128 2.957 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS H 1 4 LYS QD . . 3.100 2.981 2.313 3.205 0.105 2 0 "[ . 1 . 2]" 1
15 1 4 LYS H 1 4 LYS QG . . 3.100 2.586 1.675 3.249 0.149 19 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 5 PRO QD . . 3.500 1.944 1.642 2.362 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 6 VAL QG . . 5.000 4.346 3.913 4.886 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS QG 1 5 PRO QD . . 3.600 3.232 1.845 3.736 0.136 17 0 "[ . 1 . 2]" 1
19 1 5 PRO HA 1 5 PRO QD . . 3.300 3.381 3.381 3.382 0.082 13 0 "[ . 1 . 2]" 1
20 1 5 PRO QB 1 5 PRO QD . . 3.500 2.766 2.766 2.767 . 0 0 "[ . 1 . 2]" 1
21 1 5 PRO QD 1 5 PRO QG . . 2.500 1.966 1.966 1.967 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL H 1 6 VAL HA . . 2.900 2.942 2.933 2.950 0.050 18 0 "[ . 1 . 2]" 1
23 1 6 VAL H 1 6 VAL HB . . 2.800 2.944 2.391 3.171 0.371 14 0 "[ . 1 . 2]" 1
24 1 6 VAL H 1 6 VAL QG . . 3.000 2.101 1.859 2.841 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL H 1 7 PRO QD . . 4.200 3.879 3.000 4.230 0.030 12 0 "[ . 1 . 2]" 1
26 1 6 VAL H 1 20 ARG QD . . 4.900 4.970 3.868 5.356 0.456 8 0 "[ . 1 . 2]" 1
27 1 6 VAL QG 1 7 PRO QD . . 2.900 2.658 2.241 3.336 0.436 18 0 "[ . 1 . 2]" 1
28 1 6 VAL QG 1 9 ILE H . . 4.800 5.158 5.045 5.392 0.592 8 2 "[ - + 1 . 2]" 1
29 1 6 VAL QG 1 20 ARG HE . . 4.200 4.297 3.472 4.554 0.354 16 0 "[ . 1 . 2]" 1
30 1 6 VAL QG 1 21 MET H . . 4.500 4.212 2.168 5.135 0.635 20 2 "[ . 1 - . +]" 1
31 1 6 VAL QG 2 11 CYS H . . 5.000 5.098 4.857 5.432 0.432 18 0 "[ . 1 . 2]" 1
32 1 6 VAL QG 2 14 ARG H . . 5.200 4.835 3.952 5.419 0.219 11 0 "[ . 1 . 2]" 1
33 1 7 PRO HA 1 7 PRO QD . . 3.300 3.381 3.380 3.382 0.082 1 0 "[ . 1 . 2]" 1
34 1 7 PRO QB 1 7 PRO QD . . 3.400 2.766 2.765 2.766 . 0 0 "[ . 1 . 2]" 1
35 1 7 PRO QB 1 8 ILE H . . 3.700 3.992 3.966 4.003 0.303 12 0 "[ . 1 . 2]" 1
36 1 7 PRO QD 1 8 ILE MD . . 4.600 4.589 2.247 5.095 0.495 8 0 "[ . 1 . 2]" 1
37 1 8 ILE H 1 8 ILE HA . . 3.000 2.933 2.915 2.946 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE H 1 8 ILE HB . . 3.600 3.580 3.512 3.693 0.093 18 0 "[ . 1 . 2]" 1
39 1 8 ILE H 1 8 ILE MD . . 2.800 3.329 2.436 3.573 0.773 5 17 "[****+*** ******** -]" 1
40 1 8 ILE H 1 8 ILE QG . . 3.100 1.750 1.565 2.121 . 0 0 "[ . 1 . 2]" 1
41 1 8 ILE H 1 8 ILE MG . . 3.400 3.196 2.962 3.467 0.067 19 0 "[ . 1 . 2]" 1
42 1 8 ILE H 1 9 ILE MG . . 4.000 4.104 3.994 4.299 0.299 5 0 "[ . 1 . 2]" 1
43 1 8 ILE H 1 20 ARG QD . . 3.700 2.926 2.530 3.707 0.007 19 0 "[ . 1 . 2]" 1
44 1 8 ILE H 1 21 MET H . . 3.900 3.927 3.401 4.212 0.312 8 0 "[ . 1 . 2]" 1
45 1 8 ILE H 1 21 MET QG . . 4.200 4.374 4.157 4.530 0.330 9 0 "[ . 1 . 2]" 1
46 1 8 ILE HA 1 9 ILE H . . 2.500 2.166 2.143 2.251 . 0 0 "[ . 1 . 2]" 1
47 1 8 ILE HA 1 21 MET H . . 4.800 4.932 4.847 4.985 0.185 16 0 "[ . 1 . 2]" 1
48 1 8 ILE MD 1 21 MET H . . 3.900 3.970 3.685 4.383 0.483 9 0 "[ . 1 . 2]" 1
49 1 8 ILE MD 2 14 ARG H . . 4.500 4.709 4.569 4.864 0.364 18 0 "[ . 1 . 2]" 1
50 1 8 ILE QG 1 20 ARG HE . . 4.000 3.643 1.858 4.046 0.046 5 0 "[ . 1 . 2]" 1
51 1 8 ILE QG 1 21 MET H . . 3.500 2.614 2.207 3.629 0.129 5 0 "[ . 1 . 2]" 1
52 1 8 ILE MG 1 9 ILE H . . 3.600 3.802 3.495 4.131 0.531 11 1 "[ . 1+ . 2]" 1
53 1 9 ILE H 1 9 ILE HA . . 3.000 2.944 2.940 2.948 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 9 ILE HB . . 3.700 3.690 3.619 3.739 0.039 1 0 "[ . 1 . 2]" 1
55 1 9 ILE H 1 9 ILE MD . . 2.500 2.293 2.129 2.423 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE H 1 9 ILE QG . . 3.300 1.996 1.789 2.143 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE H 1 9 ILE MG . . 3.200 3.232 3.106 3.349 0.149 8 0 "[ . 1 . 2]" 1
58 1 9 ILE H 1 10 TYR H . . 4.300 4.434 4.412 4.466 0.166 14 0 "[ . 1 . 2]" 1
59 1 9 ILE H 1 10 TYR HA . . 4.900 4.958 4.866 5.078 0.178 14 0 "[ . 1 . 2]" 1
60 1 9 ILE H 1 20 ARG HA . . 4.700 4.528 4.213 4.769 0.069 8 0 "[ . 1 . 2]" 1
61 1 9 ILE H 1 20 ARG QD . . 4.300 4.555 4.319 4.847 0.547 11 2 "[ . 1+ -. 2]" 1
62 1 9 ILE HA 1 10 TYR H . . 2.500 2.577 2.560 2.600 0.100 5 0 "[ . 1 . 2]" 1
63 1 9 ILE HA 1 10 TYR QD . . 3.200 3.416 3.357 3.464 0.264 8 0 "[ . 1 . 2]" 1
64 1 9 ILE HA 1 10 TYR QE . . 3.700 3.744 3.610 3.839 0.139 5 0 "[ . 1 . 2]" 1
65 1 9 ILE HB 1 10 TYR QD . . 3.500 3.606 3.468 3.675 0.175 14 0 "[ . 1 . 2]" 1
66 1 9 ILE MD 1 10 TYR H . . 3.000 3.018 2.931 3.089 0.089 9 0 "[ . 1 . 2]" 1
67 1 9 ILE QG 1 10 TYR H . . 4.000 4.015 3.951 4.031 0.031 14 0 "[ . 1 . 2]" 1
68 1 9 ILE QG 1 20 ARG HE . . 4.800 3.247 2.864 5.032 0.232 8 0 "[ . 1 . 2]" 1
69 1 9 ILE MG 1 10 TYR H . . 3.200 3.221 3.185 3.268 0.068 12 0 "[ . 1 . 2]" 1
70 1 9 ILE MG 1 10 TYR QD . . 3.900 4.086 4.041 4.125 0.225 12 0 "[ . 1 . 2]" 1
71 1 9 ILE MG 1 10 TYR QE . . 4.100 4.187 4.144 4.214 0.114 14 0 "[ . 1 . 2]" 1
72 1 9 ILE MG 1 20 ARG HE . . 4.100 2.277 2.039 3.188 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR H 1 10 TYR QB . . 3.400 3.356 3.341 3.372 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR H 1 10 TYR QD . . 3.100 1.735 1.674 1.790 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR H 1 10 TYR QE . . 3.500 3.605 3.563 3.637 0.137 14 0 "[ . 1 . 2]" 1
76 1 10 TYR H 1 11 CYS H . . 3.500 3.722 3.651 3.845 0.345 20 0 "[ . 1 . 2]" 1
77 1 10 TYR H 1 18 CYS HA . . 3.600 3.802 3.717 3.895 0.295 12 0 "[ . 1 . 2]" 1
78 1 10 TYR H 1 19 GLN H . . 3.000 2.510 2.360 2.571 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR H 1 19 GLN QE . . 4.100 3.338 3.215 3.482 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR HA 1 10 TYR QD . . 3.400 3.491 3.463 3.525 0.125 12 0 "[ . 1 . 2]" 1
81 1 10 TYR HA 1 11 CYS H . . 2.500 2.171 2.146 2.193 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR HA 1 19 GLN H . . 4.800 4.825 4.694 4.911 0.111 8 0 "[ . 1 . 2]" 1
83 1 10 TYR QB 1 10 TYR QD . . 2.500 2.257 2.228 2.277 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR QB 1 10 TYR QE . . 3.900 3.975 3.969 3.979 0.079 19 0 "[ . 1 . 2]" 1
85 1 10 TYR QB 1 11 CYS H . . 3.400 3.572 3.472 3.634 0.234 8 0 "[ . 1 . 2]" 1
86 1 10 TYR QB 1 19 GLN QE . . 3.600 3.605 3.422 3.714 0.114 18 0 "[ . 1 . 2]" 1
87 1 10 TYR QD 1 11 CYS H . . 4.300 4.401 4.360 4.480 0.180 12 0 "[ . 1 . 2]" 1
88 1 10 TYR QD 1 19 GLN H . . 3.500 2.173 2.107 2.237 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR QD 1 19 GLN HA . . 4.500 4.476 4.380 4.546 0.046 8 0 "[ . 1 . 2]" 1
90 1 10 TYR QD 1 19 GLN QB . . 3.200 3.171 2.833 3.319 0.119 6 0 "[ . 1 . 2]" 1
91 1 10 TYR QD 1 19 GLN QG . . 4.300 4.376 4.332 4.400 0.100 8 0 "[ . 1 . 2]" 1
92 1 10 TYR QD 1 21 MET QG . . 3.700 3.417 3.134 3.716 0.016 12 0 "[ . 1 . 2]" 1
93 1 10 TYR QE 1 19 GLN H . . 3.700 3.277 3.150 3.473 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR QE 1 19 GLN HA . . 3.700 3.869 3.834 3.899 0.199 17 0 "[ . 1 . 2]" 1
95 1 10 TYR QE 1 19 GLN QB . . 3.000 1.677 1.640 1.718 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR QE 1 19 GLN QG . . 3.700 3.900 3.847 3.969 0.269 12 0 "[ . 1 . 2]" 1
97 1 10 TYR QE 1 21 MET QG . . 4.000 2.586 2.383 2.764 . 0 0 "[ . 1 . 2]" 1
98 1 11 CYS H 1 11 CYS QB . . 2.800 2.518 2.280 2.754 . 0 0 "[ . 1 . 2]" 1
99 1 11 CYS H 2 6 VAL QG . . 5.000 5.080 4.479 5.443 0.443 20 0 "[ . 1 . 2]" 1
100 1 11 CYS HA 1 12 ASN H . . 3.300 2.152 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
101 1 11 CYS HA 1 12 ASN QD . . 4.000 4.052 4.011 4.077 0.077 2 0 "[ . 1 . 2]" 1
102 1 11 CYS HA 1 17 LYS H . . 4.100 4.281 4.145 4.396 0.296 14 0 "[ . 1 . 2]" 1
103 1 11 CYS HA 1 18 CYS QB . . 3.200 3.058 2.813 3.362 0.162 16 0 "[ . 1 . 2]" 1
104 1 11 CYS HA 1 19 GLN H . . 3.500 3.695 3.595 3.763 0.263 4 0 "[ . 1 . 2]" 1
105 1 11 CYS QB 1 18 CYS HA . . 3.300 3.414 3.328 3.652 0.352 15 0 "[ . 1 . 2]" 1
106 1 12 ASN H 1 12 ASN QB . . 2.800 2.545 2.502 2.563 . 0 0 "[ . 1 . 2]" 1
107 1 12 ASN H 1 12 ASN QD . . 3.200 2.917 2.858 3.201 0.001 12 0 "[ . 1 . 2]" 1
108 1 12 ASN H 1 13 ARG H . . 4.100 4.196 4.093 4.247 0.147 2 0 "[ . 1 . 2]" 1
109 1 12 ASN H 1 17 LYS H . . 3.400 3.218 2.883 3.357 . 0 0 "[ . 1 . 2]" 1
110 1 12 ASN H 1 18 CYS HA . . 3.400 3.440 3.378 3.496 0.096 9 0 "[ . 1 . 2]" 1
111 1 12 ASN H 1 19 GLN QE . . 4.100 3.913 3.476 4.126 0.026 1 0 "[ . 1 . 2]" 1
112 1 12 ASN HA 1 12 ASN QD . . 3.400 1.914 1.852 1.935 . 0 0 "[ . 1 . 2]" 1
113 1 12 ASN HA 1 13 ARG H . . 2.600 2.203 2.186 2.226 . 0 0 "[ . 1 . 2]" 1
114 1 12 ASN QB 1 12 ASN QD . . 3.000 2.675 2.656 2.708 . 0 0 "[ . 1 . 2]" 1
115 1 12 ASN QB 1 13 ARG H . . 3.500 3.659 3.621 3.702 0.202 20 0 "[ . 1 . 2]" 1
116 1 12 ASN QD 1 13 ARG H . . 3.800 3.976 3.911 4.008 0.208 7 0 "[ . 1 . 2]" 1
117 1 13 ARG H 1 13 ARG HA . . 3.000 2.737 2.705 2.769 . 0 0 "[ . 1 . 2]" 1
118 1 13 ARG H 1 13 ARG QB . . 2.900 2.557 2.457 2.755 . 0 0 "[ . 1 . 2]" 1
119 1 13 ARG H 1 13 ARG QD . . 3.200 3.166 2.709 3.844 0.644 10 1 "[ . + . 2]" 1
120 1 13 ARG H 1 13 ARG QG . . 3.000 2.018 1.729 2.233 . 0 0 "[ . 1 . 2]" 1
121 1 13 ARG H 1 14 ARG H . . 3.100 2.825 2.726 2.908 . 0 0 "[ . 1 . 2]" 1
122 1 13 ARG HA 1 13 ARG HE . . 3.800 3.299 2.531 3.935 0.135 10 0 "[ . 1 . 2]" 1
123 1 13 ARG HA 1 14 ARG H . . 3.400 3.492 3.392 3.530 0.130 16 0 "[ . 1 . 2]" 1
124 1 13 ARG HA 1 14 ARG HE . . 4.100 4.299 4.191 4.512 0.412 13 0 "[ . 1 . 2]" 1
125 1 13 ARG QD 1 13 ARG HE . . 2.500 2.401 2.192 2.492 . 0 0 "[ . 1 . 2]" 1
126 1 14 ARG H 1 14 ARG HA . . 2.800 2.760 2.724 2.820 0.020 2 0 "[ . 1 . 2]" 1
127 1 14 ARG H 1 14 ARG QB . . 2.500 2.602 2.323 2.707 0.207 7 0 "[ . 1 . 2]" 1
128 1 14 ARG H 1 14 ARG QD . . 3.200 2.810 1.995 3.060 . 0 0 "[ . 1 . 2]" 1
129 1 14 ARG H 1 14 ARG HE . . 4.000 1.659 1.585 1.724 . 0 0 "[ . 1 . 2]" 1
130 1 14 ARG H 1 14 ARG QG . . 2.800 2.347 1.951 3.305 0.505 18 1 "[ . 1 . + 2]" 1
131 1 14 ARG H 1 15 THR H . . 2.700 2.791 2.616 2.885 0.185 16 0 "[ . 1 . 2]" 1
132 1 14 ARG H 2 6 VAL QG . . 5.200 4.776 4.015 5.215 0.015 16 0 "[ . 1 . 2]" 1
133 1 14 ARG H 2 8 ILE MD . . 4.500 4.699 4.567 4.871 0.371 20 0 "[ . 1 . 2]" 1
134 1 14 ARG HA 1 14 ARG HE . . 4.200 4.253 4.050 4.341 0.141 11 0 "[ . 1 . 2]" 1
135 1 14 ARG HA 1 15 THR H . . 3.500 3.520 3.487 3.544 0.044 7 0 "[ . 1 . 2]" 1
136 1 14 ARG QB 1 14 ARG HE . . 3.300 3.247 2.628 3.437 0.137 9 0 "[ . 1 . 2]" 1
137 1 14 ARG QB 1 15 THR H . . 3.000 3.097 2.698 3.293 0.293 1 0 "[ . 1 . 2]" 1
138 1 14 ARG QD 1 14 ARG HE . . 2.800 2.367 2.189 2.490 . 0 0 "[ . 1 . 2]" 1
139 1 14 ARG HE 1 14 ARG QG . . 3.300 2.533 2.138 3.326 0.026 18 0 "[ . 1 . 2]" 1
140 1 14 ARG HE 1 15 THR MG . . 4.300 4.317 3.978 4.552 0.252 4 0 "[ . 1 . 2]" 1
141 1 15 THR H 1 15 THR HA . . 2.800 2.946 2.940 2.949 0.149 20 0 "[ . 1 . 2]" 1
142 1 15 THR H 1 15 THR MG . . 2.600 2.036 1.869 2.255 . 0 0 "[ . 1 . 2]" 1
143 1 15 THR H 1 16 GLY H . . 2.700 2.061 1.920 2.157 . 0 0 "[ . 1 . 2]" 1
144 1 15 THR H 1 16 GLY QA . . 3.800 3.919 3.809 4.001 0.201 3 0 "[ . 1 . 2]" 1
145 1 15 THR HA 1 16 GLY H . . 3.300 3.196 3.174 3.225 . 0 0 "[ . 1 . 2]" 1
146 1 15 THR MG 1 16 GLY H . . 3.000 3.019 2.979 3.070 0.070 6 0 "[ . 1 . 2]" 1
147 1 16 GLY H 1 16 GLY QA . . 2.600 2.191 2.189 2.194 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLY H 1 17 LYS H . . 2.900 2.893 2.762 2.996 0.096 12 0 "[ . 1 . 2]" 1
149 1 16 GLY QA 1 17 LYS H . . 3.000 2.691 2.559 2.769 . 0 0 "[ . 1 . 2]" 1
150 1 17 LYS H 1 17 LYS HA . . 2.800 2.939 2.917 2.948 0.148 16 0 "[ . 1 . 2]" 1
151 1 17 LYS H 1 17 LYS QB . . 2.900 2.711 2.445 3.207 0.307 3 0 "[ . 1 . 2]" 1
152 1 17 LYS H 1 17 LYS QD . . 2.900 3.115 2.949 3.184 0.284 16 0 "[ . 1 . 2]" 1
153 1 17 LYS H 1 17 LYS QG . . 3.100 2.809 2.126 3.183 0.083 10 0 "[ . 1 . 2]" 1
154 1 17 LYS H 1 18 CYS H . . 4.400 4.423 4.382 4.461 0.061 16 0 "[ . 1 . 2]" 1
155 1 17 LYS HA 1 18 CYS H . . 2.500 2.221 2.153 2.341 . 0 0 "[ . 1 . 2]" 1
156 1 17 LYS QB 1 18 CYS H . . 3.200 2.913 2.539 3.193 . 0 0 "[ . 1 . 2]" 1
157 1 17 LYS QD 1 18 CYS H . . 3.200 3.363 3.337 3.445 0.245 15 0 "[ . 1 . 2]" 1
158 1 17 LYS QG 1 18 CYS H . . 4.200 4.461 4.337 4.573 0.373 7 0 "[ . 1 . 2]" 1
159 1 18 CYS H 1 18 CYS HA . . 3.000 2.941 2.922 2.949 . 0 0 "[ . 1 . 2]" 1
160 1 18 CYS H 1 18 CYS QB . . 2.600 2.726 2.547 2.964 0.364 3 0 "[ . 1 . 2]" 1
161 1 18 CYS HA 1 19 GLN H . . 2.500 2.181 2.160 2.217 . 0 0 "[ . 1 . 2]" 1
162 1 19 GLN H 1 19 GLN HA . . 2.800 2.925 2.919 2.933 0.133 16 0 "[ . 1 . 2]" 1
163 1 19 GLN H 1 19 GLN QB . . 2.900 2.930 2.871 2.984 0.084 18 0 "[ . 1 . 2]" 1
164 1 19 GLN H 1 19 GLN QE . . 4.000 1.842 1.814 2.021 . 0 0 "[ . 1 . 2]" 1
165 1 19 GLN H 1 19 GLN QG . . 3.100 2.998 2.894 3.129 0.029 20 0 "[ . 1 . 2]" 1
166 1 19 GLN HA 1 19 GLN QE . . 3.700 3.609 3.562 3.726 0.026 15 0 "[ . 1 . 2]" 1
167 1 19 GLN HA 1 20 ARG H . . 2.500 2.476 2.435 2.550 0.050 18 0 "[ . 1 . 2]" 1
168 1 19 GLN QB 1 19 GLN QE . . 3.400 1.991 1.910 2.145 . 0 0 "[ . 1 . 2]" 1
169 1 19 GLN QE 1 19 GLN QG . . 3.000 2.652 2.589 2.680 . 0 0 "[ . 1 . 2]" 1
170 1 19 GLN QE 1 20 ARG H . . 4.400 4.528 4.433 4.715 0.315 15 0 "[ . 1 . 2]" 1
171 1 19 GLN QG 1 20 ARG H . . 4.000 4.117 4.065 4.142 0.142 11 0 "[ . 1 . 2]" 1
172 1 20 ARG H 1 20 ARG HA . . 3.000 2.927 2.902 2.947 . 0 0 "[ . 1 . 2]" 1
173 1 20 ARG H 1 20 ARG QB . . 2.700 2.252 2.156 2.474 . 0 0 "[ . 1 . 2]" 1
174 1 20 ARG H 1 20 ARG QD . . 4.200 4.463 4.046 4.767 0.567 12 1 "[ . 1 + . 2]" 1
175 1 20 ARG HA 1 20 ARG HE . . 3.600 3.549 2.888 3.808 0.208 20 0 "[ . 1 . 2]" 1
176 1 20 ARG HA 1 21 MET H . . 2.500 2.356 2.216 2.440 . 0 0 "[ . 1 . 2]" 1
177 1 20 ARG QD 1 20 ARG HE . . 2.500 2.257 2.179 2.492 . 0 0 "[ . 1 . 2]" 1
178 1 21 MET H 1 21 MET HA . . 3.000 2.892 2.829 2.935 . 0 0 "[ . 1 . 2]" 1
179 1 21 MET H 1 21 MET QB . . 2.500 2.448 2.247 2.573 0.073 12 0 "[ . 1 . 2]" 1
180 1 21 MET H 1 21 MET QG . . 3.100 2.530 2.261 2.779 . 0 0 "[ . 1 . 2]" 1
181 2 2 SER H 2 2 SER QB . . 3.200 2.632 2.134 3.127 . 0 0 "[ . 1 . 2]" 1
182 2 2 SER HA 2 3 LYS H . . 3.500 2.866 2.144 3.548 0.048 19 0 "[ . 1 . 2]" 1
183 2 2 SER QB 2 3 LYS H . . 3.000 3.066 2.298 3.242 0.242 15 0 "[ . 1 . 2]" 1
184 2 3 LYS H 2 3 LYS HA . . 3.000 2.889 2.760 2.949 . 0 0 "[ . 1 . 2]" 1
185 2 3 LYS H 2 3 LYS QB . . 2.900 2.819 2.553 3.129 0.229 10 0 "[ . 1 . 2]" 1
186 2 3 LYS H 2 3 LYS QD . . 2.700 2.136 1.803 2.717 0.017 3 0 "[ . 1 . 2]" 1
187 2 3 LYS H 2 3 LYS QE . . 3.600 3.459 2.075 3.716 0.116 18 0 "[ . 1 . 2]" 1
188 2 3 LYS H 2 3 LYS QG . . 3.100 2.355 1.862 3.064 . 0 0 "[ . 1 . 2]" 1
189 2 3 LYS H 2 5 PRO QG . . 5.200 4.560 3.999 5.203 0.003 5 0 "[ . 1 . 2]" 1
190 2 3 LYS H 2 6 VAL QG . . 4.100 4.032 3.578 4.398 0.298 16 0 "[ . 1 . 2]" 1
191 2 3 LYS HA 2 4 LYS H . . 3.200 3.391 3.246 3.515 0.315 13 0 "[ . 1 . 2]" 1
192 2 3 LYS HA 2 8 ILE HA . . 6.000 6.279 6.078 6.470 0.470 17 0 "[ . 1 . 2]" 1
193 2 4 LYS H 2 4 LYS QB . . 3.400 2.362 2.130 2.964 . 0 0 "[ . 1 . 2]" 1
194 2 4 LYS H 2 4 LYS QD . . 3.100 2.941 2.332 3.266 0.166 13 0 "[ . 1 . 2]" 1
195 2 4 LYS H 2 4 LYS QG . . 3.100 2.643 1.712 3.198 0.098 15 0 "[ . 1 . 2]" 1
196 2 4 LYS H 2 5 PRO QD . . 3.500 1.917 1.619 2.206 . 0 0 "[ . 1 . 2]" 1
197 2 4 LYS H 2 6 VAL QG . . 5.000 4.179 3.511 4.895 . 0 0 "[ . 1 . 2]" 1
198 2 4 LYS QG 2 5 PRO QD . . 3.600 3.261 1.849 3.731 0.131 19 0 "[ . 1 . 2]" 1
199 2 5 PRO HA 2 5 PRO QD . . 3.300 3.381 3.381 3.382 0.082 6 0 "[ . 1 . 2]" 1
200 2 5 PRO QB 2 5 PRO QD . . 3.500 2.766 2.766 2.767 . 0 0 "[ . 1 . 2]" 1
201 2 5 PRO QD 2 5 PRO QG . . 2.500 1.966 1.966 1.967 . 0 0 "[ . 1 . 2]" 1
202 2 6 VAL H 2 6 VAL HA . . 2.900 2.937 2.901 2.950 0.050 16 0 "[ . 1 . 2]" 1
203 2 6 VAL H 2 6 VAL HB . . 2.800 2.991 2.439 3.074 0.274 11 0 "[ . 1 . 2]" 1
204 2 6 VAL H 2 6 VAL QG . . 3.000 1.957 1.844 2.549 . 0 0 "[ . 1 . 2]" 1
205 2 6 VAL H 2 7 PRO QD . . 4.200 3.911 2.959 4.211 0.011 13 0 "[ . 1 . 2]" 1
206 2 6 VAL H 2 20 ARG QD . . 4.900 4.985 4.410 5.351 0.451 15 0 "[ . 1 . 2]" 1
207 2 6 VAL QG 2 7 PRO QD . . 2.900 2.647 2.304 3.347 0.447 7 0 "[ . 1 . 2]" 1
208 2 6 VAL QG 2 9 ILE H . . 5.100 5.230 5.125 5.548 0.448 16 0 "[ . 1 . 2]" 1
209 2 6 VAL QG 2 20 ARG HE . . 4.200 4.334 3.281 4.570 0.370 19 0 "[ . 1 . 2]" 1
210 2 6 VAL QG 2 21 MET H . . 4.500 4.402 2.377 4.969 0.469 13 0 "[ . 1 . 2]" 1
211 2 7 PRO HA 2 7 PRO QD . . 3.300 3.381 3.381 3.382 0.082 16 0 "[ . 1 . 2]" 1
212 2 7 PRO QB 2 7 PRO QD . . 3.400 2.766 2.766 2.767 . 0 0 "[ . 1 . 2]" 1
213 2 7 PRO QB 2 8 ILE H . . 3.800 3.984 3.963 4.003 0.203 7 0 "[ . 1 . 2]" 1
214 2 7 PRO QD 2 8 ILE MD . . 4.600 4.752 2.353 5.159 0.559 16 3 "[ .- 1 .+ *2]" 1
215 2 8 ILE H 2 8 ILE HA . . 3.000 2.936 2.927 2.943 . 0 0 "[ . 1 . 2]" 1
216 2 8 ILE H 2 8 ILE HB . . 3.600 3.562 3.300 3.672 0.072 20 0 "[ . 1 . 2]" 1
217 2 8 ILE H 2 8 ILE MD . . 2.800 3.398 2.563 3.537 0.737 18 18 "[-***** **********+*2]" 1
218 2 8 ILE H 2 8 ILE QG . . 3.100 1.746 1.633 2.042 . 0 0 "[ . 1 . 2]" 1
219 2 8 ILE H 2 8 ILE MG . . 3.400 3.212 3.033 3.564 0.164 16 0 "[ . 1 . 2]" 1
220 2 8 ILE H 2 9 ILE MG . . 4.000 4.078 3.991 4.130 0.130 18 0 "[ . 1 . 2]" 1
221 2 8 ILE H 2 20 ARG QD . . 3.700 2.634 2.142 2.929 . 0 0 "[ . 1 . 2]" 1
222 2 8 ILE H 2 21 MET H . . 3.900 3.966 3.328 4.156 0.256 6 0 "[ . 1 . 2]" 1
223 2 8 ILE H 2 21 MET QG . . 4.200 4.421 4.309 4.588 0.388 18 0 "[ . 1 . 2]" 1
224 2 8 ILE HA 2 9 ILE H . . 2.500 2.164 2.140 2.285 . 0 0 "[ . 1 . 2]" 1
225 2 8 ILE HA 2 21 MET H . . 4.800 4.876 4.725 4.941 0.141 11 0 "[ . 1 . 2]" 1
226 2 8 ILE MD 2 21 MET H . . 3.900 3.987 3.561 4.495 0.595 7 2 "[ . + 1 . -]" 1
227 2 8 ILE QG 2 20 ARG HE . . 4.000 3.524 1.863 4.215 0.215 17 0 "[ . 1 . 2]" 1
228 2 8 ILE QG 2 21 MET H . . 3.500 2.630 2.211 3.514 0.014 16 0 "[ . 1 . 2]" 1
229 2 8 ILE MG 2 9 ILE H . . 3.600 3.758 3.591 3.985 0.385 17 0 "[ . 1 . 2]" 1
230 2 9 ILE H 2 9 ILE HA . . 3.000 2.945 2.940 2.949 . 0 0 "[ . 1 . 2]" 1
231 2 9 ILE H 2 9 ILE HB . . 3.700 3.705 3.639 3.730 0.030 1 0 "[ . 1 . 2]" 1
232 2 9 ILE H 2 9 ILE MD . . 2.500 2.290 2.102 2.366 . 0 0 "[ . 1 . 2]" 1
233 2 9 ILE H 2 9 ILE QG . . 3.300 2.046 1.891 2.143 . 0 0 "[ . 1 . 2]" 1
234 2 9 ILE H 2 9 ILE MG . . 3.200 3.273 3.148 3.350 0.150 15 0 "[ . 1 . 2]" 1
235 2 9 ILE H 2 10 TYR H . . 4.300 4.426 4.412 4.453 0.153 16 0 "[ . 1 . 2]" 1
236 2 9 ILE H 2 10 TYR HA . . 4.900 4.922 4.863 5.009 0.109 16 0 "[ . 1 . 2]" 1
237 2 9 ILE H 2 20 ARG HA . . 4.700 4.598 4.476 4.774 0.074 15 0 "[ . 1 . 2]" 1
238 2 9 ILE H 2 20 ARG QD . . 4.300 4.448 3.822 4.602 0.302 18 0 "[ . 1 . 2]" 1
239 2 9 ILE HA 2 10 TYR H . . 2.500 2.573 2.557 2.579 0.079 11 0 "[ . 1 . 2]" 1
240 2 9 ILE HA 2 10 TYR QD . . 3.200 3.424 3.363 3.501 0.301 18 0 "[ . 1 . 2]" 1
241 2 9 ILE HA 2 10 TYR QE . . 3.700 3.755 3.552 3.852 0.152 18 0 "[ . 1 . 2]" 1
242 2 9 ILE HB 2 10 TYR QD . . 3.500 3.612 3.577 3.682 0.182 16 0 "[ . 1 . 2]" 1
243 2 9 ILE MD 2 10 TYR H . . 3.000 3.032 2.988 3.171 0.171 17 0 "[ . 1 . 2]" 1
244 2 9 ILE QG 2 10 TYR H . . 4.000 4.024 4.004 4.065 0.065 17 0 "[ . 1 . 2]" 1
245 2 9 ILE QG 2 20 ARG HE . . 4.800 3.473 2.780 5.344 0.544 16 1 "[ . 1 .+ 2]" 1
246 2 9 ILE MG 2 10 TYR H . . 3.200 3.212 3.119 3.245 0.045 1 0 "[ . 1 . 2]" 1
247 2 9 ILE MG 2 10 TYR QD . . 3.900 4.076 3.993 4.116 0.216 18 0 "[ . 1 . 2]" 1
248 2 9 ILE MG 2 10 TYR QE . . 4.100 4.178 4.068 4.219 0.119 13 0 "[ . 1 . 2]" 1
249 2 9 ILE MG 2 20 ARG HE . . 4.100 2.380 2.064 3.845 . 0 0 "[ . 1 . 2]" 1
250 2 10 TYR H 2 10 TYR QB . . 3.400 3.352 3.338 3.365 . 0 0 "[ . 1 . 2]" 1
251 2 10 TYR H 2 10 TYR QD . . 3.100 1.733 1.689 1.800 . 0 0 "[ . 1 . 2]" 1
252 2 10 TYR H 2 10 TYR QE . . 3.500 3.600 3.582 3.630 0.130 16 0 "[ . 1 . 2]" 1
253 2 10 TYR H 2 11 CYS H . . 3.500 3.702 3.659 3.813 0.313 11 0 "[ . 1 . 2]" 1
254 2 10 TYR H 2 18 CYS HA . . 3.600 3.774 3.701 3.891 0.291 19 0 "[ . 1 . 2]" 1
255 2 10 TYR H 2 19 GLN H . . 3.000 2.516 2.456 2.601 . 0 0 "[ . 1 . 2]" 1
256 2 10 TYR H 2 19 GLN QE . . 4.100 3.346 3.248 3.458 . 0 0 "[ . 1 . 2]" 1
257 2 10 TYR HA 2 10 TYR QD . . 3.400 3.492 3.467 3.531 0.131 16 0 "[ . 1 . 2]" 1
258 2 10 TYR HA 2 11 CYS H . . 2.500 2.177 2.149 2.189 . 0 0 "[ . 1 . 2]" 1
259 2 10 TYR HA 2 19 GLN H . . 4.800 4.838 4.747 4.898 0.098 10 0 "[ . 1 . 2]" 1
260 2 10 TYR QB 2 10 TYR QD . . 2.500 2.256 2.221 2.274 . 0 0 "[ . 1 . 2]" 1
261 2 10 TYR QB 2 10 TYR QE . . 3.900 3.975 3.968 3.979 0.079 20 0 "[ . 1 . 2]" 1
262 2 10 TYR QB 2 11 CYS H . . 3.400 3.591 3.488 3.625 0.225 6 0 "[ . 1 . 2]" 1
263 2 10 TYR QB 2 19 GLN QE . . 3.600 3.602 3.249 3.698 0.098 7 0 "[ . 1 . 2]" 1
264 2 10 TYR QD 2 11 CYS H . . 4.300 4.393 4.352 4.507 0.207 16 0 "[ . 1 . 2]" 1
265 2 10 TYR QD 2 19 GLN H . . 3.500 2.140 2.073 2.216 . 0 0 "[ . 1 . 2]" 1
266 2 10 TYR QD 2 19 GLN HA . . 4.500 4.485 4.345 4.535 0.035 17 0 "[ . 1 . 2]" 1
267 2 10 TYR QD 2 19 GLN QB . . 3.200 3.209 2.791 3.317 0.117 7 0 "[ . 1 . 2]" 1
268 2 10 TYR QD 2 19 GLN QG . . 4.300 4.381 4.310 4.412 0.112 17 0 "[ . 1 . 2]" 1
269 2 10 TYR QD 2 21 MET QG . . 3.700 3.424 3.231 4.070 0.370 18 0 "[ . 1 . 2]" 1
270 2 10 TYR QE 2 19 GLN H . . 3.700 3.221 3.109 3.485 . 0 0 "[ . 1 . 2]" 1
271 2 10 TYR QE 2 19 GLN HA . . 3.700 3.865 3.828 3.886 0.186 11 0 "[ . 1 . 2]" 1
272 2 10 TYR QE 2 19 GLN QB . . 3.000 1.675 1.647 1.722 . 0 0 "[ . 1 . 2]" 1
273 2 10 TYR QE 2 19 GLN QG . . 3.700 3.886 3.836 3.972 0.272 19 0 "[ . 1 . 2]" 1
274 2 10 TYR QE 2 21 MET QG . . 4.000 2.703 2.297 3.375 . 0 0 "[ . 1 . 2]" 1
275 2 11 CYS H 2 11 CYS QB . . 2.800 2.610 2.287 2.792 . 0 0 "[ . 1 . 2]" 1
276 2 11 CYS HA 2 12 ASN H . . 3.300 2.154 2.141 2.167 . 0 0 "[ . 1 . 2]" 1
277 2 11 CYS HA 2 12 ASN QD . . 4.000 4.031 3.508 4.071 0.071 1 0 "[ . 1 . 2]" 1
278 2 11 CYS HA 2 17 LYS H . . 4.100 4.284 4.166 4.367 0.267 14 0 "[ . 1 . 2]" 1
279 2 11 CYS HA 2 18 CYS QB . . 3.200 2.966 2.720 3.354 0.154 11 0 "[ . 1 . 2]" 1
280 2 11 CYS HA 2 19 GLN H . . 3.500 3.720 3.621 3.789 0.289 15 0 "[ . 1 . 2]" 1
281 2 11 CYS QB 2 18 CYS HA . . 3.300 3.372 3.262 3.506 0.206 11 0 "[ . 1 . 2]" 1
282 2 12 ASN H 2 12 ASN QB . . 2.800 2.563 2.527 2.887 0.087 14 0 "[ . 1 . 2]" 1
283 2 12 ASN H 2 12 ASN QD . . 3.200 2.845 2.018 2.947 . 0 0 "[ . 1 . 2]" 1
284 2 12 ASN H 2 13 ARG H . . 4.100 4.199 4.138 4.222 0.122 20 0 "[ . 1 . 2]" 1
285 2 12 ASN H 2 17 LYS H . . 3.400 3.248 3.021 3.528 0.128 14 0 "[ . 1 . 2]" 1
286 2 12 ASN H 2 18 CYS HA . . 3.400 3.440 3.381 3.514 0.114 14 0 "[ . 1 . 2]" 1
287 2 12 ASN H 2 19 GLN QE . . 4.100 3.979 3.469 4.163 0.063 7 0 "[ . 1 . 2]" 1
288 2 12 ASN HA 2 12 ASN QD . . 3.400 1.993 1.888 3.430 0.030 14 0 "[ . 1 . 2]" 1
289 2 12 ASN HA 2 13 ARG H . . 2.600 2.206 2.193 2.231 . 0 0 "[ . 1 . 2]" 1
290 2 12 ASN QB 2 12 ASN QD . . 3.000 2.674 2.639 2.700 . 0 0 "[ . 1 . 2]" 1
291 2 12 ASN QB 2 13 ARG H . . 3.500 3.664 3.633 3.712 0.212 9 0 "[ . 1 . 2]" 1
292 2 12 ASN QD 2 13 ARG H . . 3.800 3.989 3.956 4.138 0.338 14 0 "[ . 1 . 2]" 1
293 2 13 ARG H 2 13 ARG HA . . 3.000 2.733 2.710 2.753 . 0 0 "[ . 1 . 2]" 1
294 2 13 ARG H 2 13 ARG QB . . 2.900 2.509 2.434 2.637 . 0 0 "[ . 1 . 2]" 1
295 2 13 ARG H 2 13 ARG QD . . 3.200 3.171 2.940 3.291 0.091 17 0 "[ . 1 . 2]" 1
296 2 13 ARG H 2 13 ARG QG . . 3.000 2.103 1.795 2.256 . 0 0 "[ . 1 . 2]" 1
297 2 13 ARG H 2 14 ARG H . . 3.100 2.832 2.774 2.897 . 0 0 "[ . 1 . 2]" 1
298 2 13 ARG HA 2 13 ARG HE . . 3.800 3.137 2.451 3.923 0.123 17 0 "[ . 1 . 2]" 1
299 2 13 ARG HA 2 14 ARG H . . 3.400 3.497 3.458 3.528 0.128 12 0 "[ . 1 . 2]" 1
300 2 13 ARG HA 2 14 ARG HE . . 4.100 4.286 4.120 4.508 0.408 4 0 "[ . 1 . 2]" 1
301 2 13 ARG QD 2 13 ARG HE . . 2.500 2.415 2.193 2.492 . 0 0 "[ . 1 . 2]" 1
302 2 14 ARG H 2 14 ARG HA . . 2.800 2.755 2.727 2.803 0.003 17 0 "[ . 1 . 2]" 1
303 2 14 ARG H 2 14 ARG QB . . 2.500 2.621 2.324 2.706 0.206 17 0 "[ . 1 . 2]" 1
304 2 14 ARG H 2 14 ARG QD . . 3.200 2.856 1.999 3.397 0.197 19 0 "[ . 1 . 2]" 1
305 2 14 ARG H 2 14 ARG HE . . 4.000 1.675 1.581 1.891 . 0 0 "[ . 1 . 2]" 1
306 2 14 ARG H 2 14 ARG QG . . 2.800 2.276 1.791 3.302 0.502 5 1 "[ + 1 . 2]" 1
307 2 14 ARG H 2 15 THR H . . 2.700 2.802 2.661 2.891 0.191 12 0 "[ . 1 . 2]" 1
308 2 14 ARG HA 2 14 ARG HE . . 4.200 4.160 2.187 4.341 0.141 6 0 "[ . 1 . 2]" 1
309 2 14 ARG HA 2 15 THR H . . 3.500 3.517 3.461 3.542 0.042 17 0 "[ . 1 . 2]" 1
310 2 14 ARG QB 2 14 ARG HE . . 3.300 3.256 2.625 3.440 0.140 7 0 "[ . 1 . 2]" 1
311 2 14 ARG QB 2 15 THR H . . 3.000 3.043 2.678 3.285 0.285 1 0 "[ . 1 . 2]" 1
312 2 14 ARG QD 2 14 ARG HE . . 2.800 2.364 2.196 2.492 . 0 0 "[ . 1 . 2]" 1
313 2 14 ARG HE 2 14 ARG QG . . 3.300 2.540 2.132 3.306 0.006 4 0 "[ . 1 . 2]" 1
314 2 14 ARG HE 2 15 THR MG . . 4.300 4.389 4.011 5.004 0.704 19 1 "[ . 1 . +2]" 1
315 2 15 THR H 2 15 THR HA . . 2.800 2.946 2.940 2.950 0.150 20 0 "[ . 1 . 2]" 1
316 2 15 THR H 2 15 THR MG . . 2.600 2.045 1.869 2.237 . 0 0 "[ . 1 . 2]" 1
317 2 15 THR H 2 16 GLY H . . 2.700 2.043 1.881 2.159 . 0 0 "[ . 1 . 2]" 1
318 2 15 THR H 2 16 GLY QA . . 3.800 3.903 3.799 4.009 0.209 1 0 "[ . 1 . 2]" 1
319 2 15 THR HA 2 16 GLY H . . 3.300 3.194 3.170 3.263 . 0 0 "[ . 1 . 2]" 1
320 2 15 THR MG 2 16 GLY H . . 3.000 3.026 2.983 3.177 0.177 19 0 "[ . 1 . 2]" 1
321 2 16 GLY H 2 16 GLY QA . . 2.600 2.191 2.189 2.194 . 0 0 "[ . 1 . 2]" 1
322 2 16 GLY H 2 17 LYS H . . 2.900 2.871 2.766 2.953 0.053 7 0 "[ . 1 . 2]" 1
323 2 16 GLY QA 2 17 LYS H . . 3.000 2.710 2.569 2.771 . 0 0 "[ . 1 . 2]" 1
324 2 17 LYS H 2 17 LYS HA . . 2.800 2.942 2.926 2.948 0.148 14 0 "[ . 1 . 2]" 1
325 2 17 LYS H 2 17 LYS QB . . 2.900 2.635 2.444 3.166 0.266 2 0 "[ . 1 . 2]" 1
326 2 17 LYS H 2 17 LYS QD . . 2.900 3.133 2.995 3.235 0.335 14 0 "[ . 1 . 2]" 1
327 2 17 LYS H 2 17 LYS QG . . 3.100 2.908 2.137 3.187 0.087 6 0 "[ . 1 . 2]" 1
328 2 17 LYS H 2 18 CYS H . . 4.400 4.420 4.395 4.472 0.072 14 0 "[ . 1 . 2]" 1
329 2 17 LYS HA 2 18 CYS H . . 2.500 2.203 2.155 2.315 . 0 0 "[ . 1 . 2]" 1
330 2 17 LYS QB 2 18 CYS H . . 3.200 2.980 2.602 3.180 . 0 0 "[ . 1 . 2]" 1
331 2 17 LYS QD 2 18 CYS H . . 3.200 3.358 3.306 3.433 0.233 10 0 "[ . 1 . 2]" 1
332 2 17 LYS QG 2 18 CYS H . . 4.200 4.486 4.346 4.564 0.364 9 0 "[ . 1 . 2]" 1
333 2 18 CYS H 2 18 CYS HA . . 3.000 2.941 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
334 2 18 CYS H 2 18 CYS QB . . 2.600 2.674 2.529 2.959 0.359 10 0 "[ . 1 . 2]" 1
335 2 18 CYS HA 2 19 GLN H . . 2.500 2.179 2.172 2.198 . 0 0 "[ . 1 . 2]" 1
336 2 19 GLN H 2 19 GLN HA . . 2.800 2.925 2.918 2.934 0.134 14 0 "[ . 1 . 2]" 1
337 2 19 GLN H 2 19 GLN QB . . 2.900 2.928 2.860 2.972 0.072 18 0 "[ . 1 . 2]" 1
338 2 19 GLN H 2 19 GLN QE . . 4.000 1.826 1.784 1.862 . 0 0 "[ . 1 . 2]" 1
339 2 19 GLN H 2 19 GLN QG . . 3.100 3.004 2.898 3.156 0.056 16 0 "[ . 1 . 2]" 1
340 2 19 GLN HA 2 19 GLN QE . . 3.700 3.597 3.548 3.675 . 0 0 "[ . 1 . 2]" 1
341 2 19 GLN HA 2 20 ARG H . . 2.500 2.475 2.414 2.534 0.034 7 0 "[ . 1 . 2]" 1
342 2 19 GLN QB 2 19 GLN QE . . 3.400 1.985 1.903 2.099 . 0 0 "[ . 1 . 2]" 1
343 2 19 GLN QE 2 19 GLN QG . . 3.000 2.657 2.611 2.685 . 0 0 "[ . 1 . 2]" 1
344 2 19 GLN QE 2 20 ARG H . . 4.400 4.519 4.430 4.636 0.236 16 0 "[ . 1 . 2]" 1
345 2 19 GLN QG 2 20 ARG H . . 4.000 4.118 4.057 4.156 0.156 17 0 "[ . 1 . 2]" 1
346 2 20 ARG H 2 20 ARG HA . . 3.000 2.919 2.899 2.947 . 0 0 "[ . 1 . 2]" 1
347 2 20 ARG H 2 20 ARG QB . . 2.700 2.203 2.148 2.339 . 0 0 "[ . 1 . 2]" 1
348 2 20 ARG H 2 20 ARG QD . . 4.200 4.532 4.300 4.756 0.556 19 1 "[ . 1 . +2]" 1
349 2 20 ARG HA 2 20 ARG HE . . 3.600 3.500 2.808 4.169 0.569 17 1 "[ . 1 . + 2]" 1
350 2 20 ARG HA 2 21 MET H . . 2.500 2.334 2.249 2.429 . 0 0 "[ . 1 . 2]" 1
351 2 20 ARG QD 2 20 ARG HE . . 2.500 2.194 2.177 2.465 . 0 0 "[ . 1 . 2]" 1
352 2 21 MET H 2 21 MET HA . . 3.000 2.893 2.746 2.935 . 0 0 "[ . 1 . 2]" 1
353 2 21 MET H 2 21 MET QB . . 2.500 2.464 2.244 2.741 0.241 8 0 "[ . 1 . 2]" 1
354 2 21 MET H 2 21 MET QG . . 3.100 2.590 2.403 3.282 0.182 18 0 "[ . 1 . 2]" 1
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