NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394747 |
1rij   |
6088 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rij
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 265
_Distance_constraint_stats_list.Viol_count 720
_Distance_constraint_stats_list.Viol_total 1678.333
_Distance_constraint_stats_list.Viol_max 0.277
_Distance_constraint_stats_list.Viol_rms 0.0293
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0777
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.692 0.234 14 0 "[ . 1 . 2 . 3]"
1 2 LEU 0.847 0.234 14 0 "[ . 1 . 2 . 3]"
1 3 GLN 0.062 0.024 14 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.139 0.038 10 0 "[ . 1 . 2 . 3]"
1 5 LEU 2.134 0.224 4 0 "[ . 1 . 2 . 3]"
1 6 LEU 11.333 0.277 12 0 "[ . 1 . 2 . 3]"
1 7 GLY 6.417 0.230 21 0 "[ . 1 . 2 . 3]"
1 8 GLN 7.368 0.277 12 0 "[ . 1 . 2 . 3]"
1 9 TRP 25.485 0.198 17 0 "[ . 1 . 2 . 3]"
1 10 LEU 11.091 0.230 21 0 "[ . 1 . 2 . 3]"
1 11 LYS 0.302 0.032 11 0 "[ . 1 . 2 . 3]"
1 12 ASP 3.270 0.090 30 0 "[ . 1 . 2 . 3]"
1 13 GLY 0.013 0.008 21 0 "[ . 1 . 2 . 3]"
1 14 GLY 5.439 0.156 21 0 "[ . 1 . 2 . 3]"
1 15 PRO 17.235 0.198 17 0 "[ . 1 . 2 . 3]"
1 16 SER 4.102 0.171 1 0 "[ . 1 . 2 . 3]"
1 17 SER 1.163 0.090 30 0 "[ . 1 . 2 . 3]"
1 18 GLY 0.407 0.050 10 0 "[ . 1 . 2 . 3]"
1 19 ARG 0.477 0.050 10 0 "[ . 1 . 2 . 3]"
1 20 PRO 0.040 0.015 19 0 "[ . 1 . 2 . 3]"
1 21 PRO 1.045 0.070 12 0 "[ . 1 . 2 . 3]"
1 22 PRO 2.888 0.198 29 0 "[ . 1 . 2 . 3]"
1 23 SER 2.950 0.198 29 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 LEU H 2.740 . 3.290 2.377 2.142 3.524 0.234 14 0 "[ . 1 . 2 . 3]" 1
2 1 1 ALA HA 1 2 LEU QD 3.500 . 6.000 4.642 3.334 5.479 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 ALA MB 1 4 GLU H 3.510 . 5.210 3.002 2.154 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 LEU H 1 2 LEU HA 2.900 . 3.480 2.874 2.816 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 LEU H 1 3 GLN H 3.500 . 5.000 2.568 2.287 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 LEU H 1 5 LEU H 3.500 . 5.000 4.607 4.020 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 LEU HA 1 3 GLN H 3.000 2.080 3.600 3.564 3.500 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 LEU HA 1 4 GLU H 4.000 3.080 5.000 4.603 4.255 5.003 0.003 2 0 "[ . 1 . 2 . 3]" 1
9 1 2 LEU HA 1 5 LEU H 3.500 . 4.500 3.791 3.387 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 LEU HA 1 5 LEU HB3 3.000 . 4.000 3.539 2.932 4.009 0.009 6 0 "[ . 1 . 2 . 3]" 1
11 1 2 LEU QB 1 3 GLN H 2.680 . 4.680 2.463 2.196 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 LEU QD 1 3 GLN H 3.320 . 4.980 3.594 2.604 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 LEU QD 1 22 PRO HA 3.500 . 5.000 4.465 3.263 5.026 0.026 26 0 "[ . 1 . 2 . 3]" 1
14 1 2 LEU QD 1 22 PRO HB2 3.500 . 5.000 3.327 2.512 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 LEU QD 1 22 PRO HB3 3.500 . 5.000 4.435 3.190 5.037 0.037 16 0 "[ . 1 . 2 . 3]" 1
16 1 2 LEU QD 1 23 SER H 3.500 . 6.000 3.966 2.312 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 LEU HG 1 3 GLN H 3.500 . 5.000 4.286 2.134 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 GLN H 1 3 GLN HA 2.890 . 3.470 2.827 2.791 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 GLN H 1 3 GLN QB 2.480 . 4.480 2.208 2.054 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 GLN H 1 3 GLN QG 3.090 . 5.090 3.567 1.865 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 GLN H 1 4 GLU H 3.030 . 3.640 2.663 2.512 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 GLN H 1 5 LEU H 3.500 . 5.000 4.251 3.910 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 GLN HA 1 3 GLN QB 2.430 . 4.430 2.451 2.176 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 GLN HA 1 3 GLN QG 2.880 . 4.880 2.357 2.146 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 GLN HA 1 4 GLU H 3.150 . 3.780 3.548 3.500 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 GLN HA 1 5 LEU H 4.120 . 4.940 4.529 3.999 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 GLN HA 1 6 LEU H 3.450 . 4.140 3.422 3.251 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 GLN HA 1 6 LEU HB2 2.870 . 3.440 2.469 1.986 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 GLN HA 1 6 LEU HB3 3.180 . 3.820 3.387 2.882 3.824 0.004 17 0 "[ . 1 . 2 . 3]" 1
30 1 3 GLN HA 1 6 LEU QD 3.160 . 4.790 3.732 3.114 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 GLN QG 1 4 GLU H 4.000 2.610 6.500 4.195 2.586 4.576 0.024 14 0 "[ . 1 . 2 . 3]" 1
32 1 3 GLN QG 1 4 GLU HA 3.380 . 5.760 4.952 3.766 5.782 0.022 11 0 "[ . 1 . 2 . 3]" 1
33 1 3 GLN QG 1 5 LEU H 4.000 . 6.500 5.827 4.944 6.287 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 GLU H 1 4 GLU HA 2.820 . 3.380 2.809 2.789 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 GLU H 1 5 LEU H 2.670 . 3.200 2.738 2.609 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 GLU H 1 5 LEU QD 3.930 . 5.720 5.616 5.099 5.745 0.025 29 0 "[ . 1 . 2 . 3]" 1
37 1 4 GLU H 1 6 LEU H 3.820 . 4.580 3.987 3.761 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 GLU H 1 7 GLY H 3.500 . 6.000 5.144 4.733 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 GLU HA 1 4 GLU QB 2.280 . 4.280 2.415 2.176 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 GLU HA 1 4 GLU QG 2.670 . 4.670 2.485 2.181 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 GLU HA 1 7 GLY H 3.170 . 5.000 3.846 3.572 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 GLU QB 1 5 LEU H 3.000 . 5.300 2.558 2.373 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 GLU QB 1 6 LEU H 3.900 . 6.350 4.562 4.327 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 GLU QB 1 7 GLY H 3.500 . 6.000 5.179 4.983 5.588 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 GLU QG 1 5 LEU H 4.000 2.760 6.500 4.139 2.722 4.485 0.038 10 0 "[ . 1 . 2 . 3]" 1
46 1 5 LEU H 1 5 LEU HB2 2.940 . 3.530 2.238 2.093 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 5 LEU H 1 5 LEU QD 2.890 . 4.470 3.688 3.126 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 5 LEU H 1 7 GLY H 3.500 . 5.000 4.430 4.081 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 LEU HA 1 5 LEU HB2 2.940 . 3.530 2.654 2.478 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 5 LEU HA 1 5 LEU HB3 2.780 . 3.340 2.971 2.881 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 5 LEU HA 1 5 LEU QD 2.330 . 3.800 2.496 1.752 2.959 0.008 23 0 "[ . 1 . 2 . 3]" 1
52 1 5 LEU HA 1 5 LEU HG 2.770 . 3.320 2.568 2.296 3.544 0.224 4 0 "[ . 1 . 2 . 3]" 1
53 1 5 LEU HA 1 6 LEU H 3.090 . 3.710 3.506 3.421 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 5 LEU HB2 1 6 LEU H 3.290 . 3.950 3.700 3.454 3.995 0.045 28 0 "[ . 1 . 2 . 3]" 1
55 1 5 LEU HB2 1 22 PRO HB2 3.000 . 4.000 3.647 3.012 4.022 0.022 21 0 "[ . 1 . 2 . 3]" 1
56 1 5 LEU HB2 1 22 PRO HB3 3.000 . 4.000 3.521 2.812 4.014 0.014 11 0 "[ . 1 . 2 . 3]" 1
57 1 5 LEU HB3 1 6 LEU H 3.180 . 3.820 2.906 2.618 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 LEU QD 1 6 LEU H 3.120 . 4.740 3.725 3.340 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 LEU QD 1 7 GLY H 3.240 . 4.890 4.925 4.804 4.958 0.068 10 0 "[ . 1 . 2 . 3]" 1
60 1 5 LEU QD 1 9 TRP H 3.660 . 5.390 3.110 2.824 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 LEU QD 1 9 TRP HE1 4.110 . 5.930 5.521 5.062 5.972 0.042 28 0 "[ . 1 . 2 . 3]" 1
62 1 5 LEU QD 1 22 PRO HA 3.680 . 5.420 3.099 2.461 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 LEU QD 1 22 PRO HB2 3.270 . 4.920 2.824 2.057 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 LEU QD 1 22 PRO HB3 3.830 . 5.600 1.900 1.756 2.790 0.004 14 0 "[ . 1 . 2 . 3]" 1
65 1 6 LEU H 1 6 LEU HA 2.800 . 3.360 2.790 2.753 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 6 LEU H 1 6 LEU HB2 2.580 . 3.100 2.061 2.016 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 6 LEU H 1 6 LEU HB3 2.750 . 3.300 3.100 2.847 3.330 0.030 18 0 "[ . 1 . 2 . 3]" 1
68 1 6 LEU H 1 6 LEU MD1 3.740 . 5.490 4.235 2.933 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 LEU H 1 6 LEU MD2 3.500 . 5.200 3.317 2.863 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 LEU H 1 7 GLY H 3.090 . 3.710 2.800 2.689 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 LEU H 1 8 GLN H 4.060 . 4.870 4.039 3.879 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 LEU H 1 9 TRP H 4.560 . 5.470 4.494 4.427 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 LEU HA 1 7 GLY H 3.500 . 4.500 3.564 3.551 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 LEU HA 1 9 TRP H 3.000 . 3.600 3.285 3.121 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 6 LEU HA 1 9 TRP HB2 3.090 . 3.710 3.048 2.727 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 LEU HA 1 9 TRP HB3 3.160 . 3.790 2.191 2.029 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 6 LEU HA 1 9 TRP HE3 3.470 . 4.160 2.662 2.492 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 6 LEU HA 1 22 PRO HD2 3.850 . 4.620 3.514 2.695 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 6 LEU HA 1 22 PRO HD3 3.720 . 4.460 3.630 2.958 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 6 LEU HB2 1 7 GLY H 3.000 . 4.000 3.263 3.001 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 6 LEU HB2 1 8 GLN H 4.000 . 5.000 5.242 5.157 5.277 0.277 12 0 "[ . 1 . 2 . 3]" 1
82 1 6 LEU HB2 1 9 TRP HE3 3.780 . 4.540 4.669 4.650 4.694 0.154 13 0 "[ . 1 . 2 . 3]" 1
83 1 6 LEU HB3 1 7 GLY H 3.000 . 4.000 2.632 2.376 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 6 LEU HB3 1 8 GLN H 4.000 . 5.000 4.836 4.639 5.040 0.040 18 0 "[ . 1 . 2 . 3]" 1
85 1 6 LEU HB3 1 9 TRP HE3 4.060 . 4.870 4.476 3.845 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 6 LEU MD1 1 7 GLY H 3.560 . 5.270 4.026 3.514 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 6 LEU MD1 1 9 TRP H 3.960 . 5.750 4.480 3.993 5.787 0.037 18 0 "[ . 1 . 2 . 3]" 1
88 1 6 LEU MD1 1 9 TRP HE3 2.530 . 4.040 1.922 1.788 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 6 LEU MD2 1 7 GLY H 3.560 . 5.270 4.621 4.500 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 6 LEU MD2 1 9 TRP H 3.960 . 5.750 4.743 4.592 5.499 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 6 LEU MD2 1 9 TRP HE3 2.530 . 4.040 2.038 1.859 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 GLY H 1 7 GLY HA2 2.750 . 3.300 2.822 2.798 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 GLY H 1 7 GLY HA3 2.600 . 3.120 2.298 2.295 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 GLY H 1 8 GLN H 2.980 . 3.580 2.620 2.526 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 7 GLY H 1 9 TRP H 3.500 . 5.000 4.000 3.846 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 GLY HA2 1 10 LEU H 3.890 . 4.670 3.370 3.251 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 7 GLY HA2 1 11 LYS H 3.960 . 4.750 4.082 3.811 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 7 GLY HA3 1 10 LEU H 3.640 . 4.370 4.546 4.519 4.600 0.230 21 0 "[ . 1 . 2 . 3]" 1
99 1 8 GLN H 1 8 GLN HA 2.510 . 3.010 2.895 2.878 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 8 GLN H 1 9 TRP H 2.880 . 3.460 2.325 2.235 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 GLN H 1 10 LEU H 3.650 . 4.380 3.762 3.705 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 8 GLN HA 1 9 TRP H 3.220 . 4.720 3.485 3.441 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 8 GLN HB2 1 9 TRP H 3.000 . 4.500 3.276 2.568 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 8 GLN HB3 1 9 TRP H 3.000 . 4.500 2.902 2.538 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 8 GLN HE21 1 11 LYS QB 3.000 . 5.000 3.389 2.470 5.014 0.014 13 0 "[ . 1 . 2 . 3]" 1
106 1 8 GLN HE21 1 11 LYS QD 3.000 . 5.000 3.172 2.082 5.009 0.009 17 0 "[ . 1 . 2 . 3]" 1
107 1 8 GLN HE22 1 11 LYS QB 3.000 . 5.000 3.959 2.697 5.015 0.015 29 0 "[ . 1 . 2 . 3]" 1
108 1 8 GLN HE22 1 11 LYS QD 3.000 . 5.000 3.364 2.089 5.003 0.003 27 0 "[ . 1 . 2 . 3]" 1
109 1 8 GLN QG 1 9 TRP H 3.580 . 6.000 4.173 3.601 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 9 TRP H 1 9 TRP HB2 2.700 . 3.240 2.432 2.400 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 9 TRP H 1 9 TRP HB3 2.740 . 3.290 2.448 2.383 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 TRP H 1 9 TRP HD1 3.400 . 4.720 4.781 4.744 4.818 0.098 24 0 "[ . 1 . 2 . 3]" 1
113 1 9 TRP H 1 10 LEU H 2.720 . 3.260 2.556 2.352 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 TRP HA 1 9 TRP HE3 3.840 . 4.940 5.062 5.038 5.084 0.144 6 0 "[ . 1 . 2 . 3]" 1
115 1 9 TRP HA 1 10 LEU H 3.590 . 4.310 3.521 3.512 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 9 TRP HA 1 12 ASP H 3.370 . 4.040 3.798 3.701 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 9 TRP HA 1 12 ASP HB2 3.490 . 4.610 4.210 3.937 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 9 TRP HA 1 12 ASP HB3 3.210 . 3.850 3.909 3.891 3.933 0.083 30 0 "[ . 1 . 2 . 3]" 1
119 1 9 TRP HB2 1 9 TRP HE3 2.750 . 3.850 3.679 3.625 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 TRP HB2 1 10 LEU H 2.780 . 3.680 3.779 3.759 3.794 0.114 24 0 "[ . 1 . 2 . 3]" 1
121 1 9 TRP HB2 1 22 PRO HD3 3.500 . 5.000 3.116 2.736 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 9 TRP HB3 1 9 TRP HE3 2.970 . 3.560 2.355 2.345 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 9 TRP HB3 1 10 LEU H 3.320 . 3.980 2.508 2.441 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 9 TRP HB3 1 22 PRO HD2 3.500 . 5.000 4.180 3.375 5.005 0.005 21 0 "[ . 1 . 2 . 3]" 1
125 1 9 TRP HB3 1 22 PRO HD3 3.500 . 5.000 3.565 3.176 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 9 TRP HD1 1 10 LEU H 3.880 . 5.230 5.319 5.292 5.363 0.133 12 0 "[ . 1 . 2 . 3]" 1
127 1 9 TRP HD1 1 19 ARG QB 4.030 . 5.030 4.603 4.231 5.040 0.010 3 0 "[ . 1 . 2 . 3]" 1
128 1 9 TRP HD1 1 19 ARG HD2 3.500 . 5.000 2.942 1.964 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 9 TRP HD1 1 19 ARG HD3 3.500 . 5.000 3.878 2.287 4.780 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 9 TRP HD1 1 19 ARG HG2 3.470 . 4.470 3.333 2.632 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 9 TRP HD1 1 19 ARG HG3 3.470 . 4.970 2.638 2.293 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 9 TRP HE1 1 19 ARG H 3.500 2.500 4.500 3.584 3.080 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 9 TRP HE1 1 19 ARG QB 4.030 . 5.030 4.345 3.824 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 9 TRP HE1 1 19 ARG HD2 4.040 . 5.040 4.092 3.001 5.060 0.020 12 0 "[ . 1 . 2 . 3]" 1
135 1 9 TRP HE1 1 19 ARG HD3 4.340 . 5.340 4.555 3.338 5.352 0.012 2 0 "[ . 1 . 2 . 3]" 1
136 1 9 TRP HE1 1 19 ARG HG2 3.470 . 4.970 3.897 2.521 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 9 TRP HE1 1 19 ARG HG3 3.500 . 5.000 2.526 2.111 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 9 TRP HH2 1 15 PRO HA 3.460 2.760 4.150 3.688 3.575 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 9 TRP HH2 1 15 PRO HB2 3.800 . 4.600 4.757 4.734 4.798 0.198 17 0 "[ . 1 . 2 . 3]" 1
140 1 9 TRP HH2 1 15 PRO HB3 3.800 . 5.000 3.899 3.842 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 9 TRP HH2 1 15 PRO HD2 3.870 . 4.640 4.115 3.994 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 9 TRP HH2 1 15 PRO HD3 4.130 . 4.960 2.647 2.474 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 9 TRP HH2 1 15 PRO QG 3.000 . 5.000 1.856 1.805 1.904 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 9 TRP HH2 1 21 PRO HB3 4.000 . 5.000 2.975 2.391 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 9 TRP HZ2 1 15 PRO HA 2.900 . 3.900 1.730 1.702 1.754 0.058 21 0 "[ . 1 . 2 . 3]" 1
146 1 9 TRP HZ2 1 15 PRO HB2 3.500 . 4.600 4.185 3.943 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 9 TRP HZ2 1 15 PRO HB3 3.500 . 4.200 3.169 2.789 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 9 TRP HZ2 1 15 PRO HD2 3.010 . 4.310 4.385 4.359 4.405 0.095 1 0 "[ . 1 . 2 . 3]" 1
149 1 9 TRP HZ2 1 15 PRO HD3 3.420 . 4.100 3.365 3.333 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 9 TRP HZ2 1 15 PRO QG 3.000 . 5.000 2.609 2.321 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 9 TRP HZ2 1 20 PRO HA 4.000 . 5.000 3.409 2.909 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 9 TRP HZ2 1 21 PRO HB3 4.000 . 4.800 4.148 3.730 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 9 TRP HZ2 1 21 PRO HD2 3.600 . 4.320 4.304 4.060 4.367 0.047 12 0 "[ . 1 . 2 . 3]" 1
154 1 9 TRP HZ2 1 21 PRO HD3 3.180 . 4.080 2.732 2.515 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 9 TRP HZ3 1 10 LEU QB 3.500 . 5.500 5.429 5.005 5.514 0.014 14 0 "[ . 1 . 2 . 3]" 1
156 1 10 LEU H 1 10 LEU QB 2.460 . 4.460 2.194 2.052 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 10 LEU H 1 10 LEU MD1 2.940 . 4.530 3.932 3.040 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 10 LEU H 1 11 LYS H 3.010 . 3.610 2.588 2.543 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 10 LEU HA 1 11 LYS H 3.290 . 3.950 3.520 3.503 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 10 LEU HA 1 13 GLY H 3.950 . 4.740 3.499 3.062 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 10 LEU HA 1 14 GLY H 3.080 . 3.700 1.969 1.847 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 10 LEU QB 1 14 GLY H 3.500 2.250 5.550 4.117 4.011 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 10 LEU QD 1 11 LYS H 4.010 . 5.810 3.980 3.488 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 10 LEU QD 1 14 GLY H 3.550 . 5.260 3.467 2.705 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 10 LEU QD 1 15 PRO HD2 3.840 . 5.610 4.533 3.942 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 10 LEU QD 1 15 PRO HD3 3.870 . 5.640 4.153 3.093 5.109 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 10 LEU MD1 1 11 LYS H 3.570 . 5.280 4.813 3.992 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 11 LYS H 1 11 LYS HA 2.670 . 3.200 2.786 2.770 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 11 LYS H 1 11 LYS QB 2.360 . 4.360 2.185 2.044 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 11 LYS H 1 11 LYS QG 2.770 . 4.770 3.595 2.404 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 11 LYS H 1 12 ASP H 3.270 . 3.920 2.744 2.651 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 11 LYS H 1 12 ASP HB2 4.380 . 5.260 4.982 4.821 5.125 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 11 LYS H 1 12 ASP HB3 4.410 . 5.290 5.278 5.203 5.322 0.032 11 0 "[ . 1 . 2 . 3]" 1
174 1 11 LYS H 1 13 GLY H 4.230 . 5.080 4.231 3.958 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 11 LYS H 1 14 GLY H 3.500 . 5.000 4.410 4.223 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 11 LYS HA 1 12 ASP H 3.000 . 4.500 3.527 3.487 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 11 LYS HA 1 13 GLY H 3.810 . 4.570 4.132 3.661 4.578 0.008 21 0 "[ . 1 . 2 . 3]" 1
178 1 11 LYS QB 1 12 ASP H 3.000 . 5.000 2.713 2.471 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 11 LYS QB 1 12 ASP HA 3.870 . 6.340 4.085 3.833 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 12 ASP H 1 12 ASP HB2 2.780 . 3.340 2.470 2.339 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 ASP H 1 12 ASP HB3 2.970 . 3.560 2.730 2.638 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 12 ASP H 1 13 GLY H 3.070 . 3.380 2.684 2.399 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 ASP H 1 14 GLY H 3.970 . 4.760 3.651 3.151 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 ASP HA 1 12 ASP HB2 2.720 . 3.260 2.590 2.541 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 12 ASP HA 1 12 ASP HB3 2.800 . 3.360 3.012 2.996 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 12 ASP HA 1 13 GLY H 3.210 . 3.850 3.246 2.798 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 12 ASP HA 1 14 GLY H 4.000 . 5.500 5.131 4.533 5.528 0.028 29 0 "[ . 1 . 2 . 3]" 1
188 1 12 ASP HB2 1 13 GLY H 4.220 . 5.060 4.127 3.721 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 12 ASP HB2 1 14 GLY H 3.500 . 5.500 5.274 4.964 5.462 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 12 ASP HB2 1 17 SER HA 3.920 . 5.020 5.051 5.017 5.085 0.065 6 0 "[ . 1 . 2 . 3]" 1
191 1 12 ASP HB2 1 17 SER HB2 3.450 . 4.450 3.505 3.214 4.540 0.090 30 0 "[ . 1 . 2 . 3]" 1
192 1 12 ASP HB2 1 17 SER HB3 3.530 . 4.240 4.021 3.251 4.268 0.028 6 0 "[ . 1 . 2 . 3]" 1
193 1 12 ASP HB3 1 13 GLY H 4.140 . 4.970 3.381 2.623 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 12 ASP HB3 1 14 GLY H 3.500 . 5.000 4.129 3.953 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 12 ASP HB3 1 17 SER HA 4.320 . 5.620 3.633 3.514 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 12 ASP HB3 1 17 SER HB2 3.640 . 4.370 2.077 1.741 3.080 0.019 6 0 "[ . 1 . 2 . 3]" 1
197 1 12 ASP HB3 1 17 SER HB3 3.580 . 4.300 2.288 1.932 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 13 GLY H 1 13 GLY HA2 2.990 . 3.290 2.454 2.294 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 13 GLY H 1 13 GLY HA3 2.990 . 3.290 2.907 2.821 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 13 GLY H 1 14 GLY H 2.770 . 3.320 2.240 1.966 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 13 GLY HA2 1 14 GLY H 3.150 . 3.780 2.879 2.776 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 13 GLY HA3 1 14 GLY H 3.230 . 3.880 3.532 3.491 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 14 GLY H 1 14 GLY HA3 2.930 . 3.230 2.700 2.676 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 GLY H 1 15 PRO HD2 3.840 . 4.610 4.724 4.680 4.766 0.156 21 0 "[ . 1 . 2 . 3]" 1
205 1 14 GLY H 1 15 PRO HD3 3.870 . 4.640 4.702 4.687 4.714 0.074 1 0 "[ . 1 . 2 . 3]" 1
206 1 14 GLY H 1 17 SER H 3.500 . 5.000 4.363 4.182 5.022 0.022 1 0 "[ . 1 . 2 . 3]" 1
207 1 14 GLY HA2 1 15 PRO HD2 3.500 . 5.000 3.799 3.700 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 14 GLY HA2 1 15 PRO HD3 3.500 . 5.000 3.020 2.902 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 14 GLY HA3 1 15 PRO HD2 2.870 . 3.170 2.279 2.223 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 GLY HA3 1 15 PRO HD3 2.870 . 3.170 2.078 1.995 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 15 PRO HA 1 15 PRO HB3 2.650 . 3.180 2.305 2.300 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 15 PRO HA 1 15 PRO HD2 3.750 . 4.500 3.923 3.913 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 15 PRO HA 1 15 PRO HD3 3.700 . 4.440 3.630 3.609 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 15 PRO HA 1 16 SER H 3.600 . 4.320 3.558 3.538 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 15 PRO HA 1 17 SER H 3.660 . 4.390 3.990 3.625 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 15 PRO HB2 1 16 SER H 3.500 . 5.500 2.554 2.480 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 15 PRO HB3 1 16 SER H 3.000 . 5.000 3.921 3.874 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 15 PRO HB3 1 16 SER HA 3.980 . 4.780 4.917 4.899 4.951 0.171 1 0 "[ . 1 . 2 . 3]" 1
219 1 15 PRO HD2 1 16 SER H 4.330 . 5.200 2.883 2.833 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 15 PRO HD3 1 16 SER H 3.500 . 4.200 4.120 4.090 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 15 PRO QG 1 16 SER H 3.000 . 5.000 3.820 3.761 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 SER H 1 16 SER QB 2.980 . 5.280 2.321 2.196 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 SER H 1 17 SER H 3.170 . 3.800 2.696 2.603 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 16 SER HA 1 16 SER QB 2.520 . 4.520 2.322 2.176 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 SER HA 1 17 SER H 3.360 . 4.030 3.434 2.997 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 SER HA 1 18 GLY H 4.090 . 4.910 3.977 3.169 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 SER QB 1 17 SER H 2.890 . 4.890 3.317 2.915 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 17 SER H 1 18 GLY H 3.220 . 3.860 2.858 2.309 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 18 GLY H 1 19 ARG H 3.500 . 5.000 2.521 1.947 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 18 GLY H 1 19 ARG HG2 3.000 . 5.000 4.722 3.538 5.050 0.050 10 0 "[ . 1 . 2 . 3]" 1
231 1 18 GLY H 1 19 ARG HG3 3.000 . 5.000 4.453 3.811 5.035 0.035 1 0 "[ . 1 . 2 . 3]" 1
232 1 18 GLY HA2 1 19 ARG H 3.730 . 5.230 3.508 3.027 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 18 GLY HA3 1 19 ARG H 3.500 . 5.000 2.848 2.715 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 19 ARG H 1 19 ARG HD2 4.830 . 5.800 4.564 3.745 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 19 ARG H 1 19 ARG HD3 4.640 . 5.570 4.619 4.293 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 19 ARG HA 1 20 PRO HD2 3.000 . 4.000 2.771 2.441 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 19 ARG HA 1 20 PRO HD3 3.000 . 4.000 2.101 1.828 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 19 ARG HA 1 20 PRO QG 3.000 . 5.000 3.880 3.676 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 19 ARG QB 1 19 ARG HE 4.290 . 5.290 3.097 2.390 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 20 PRO HA 1 20 PRO QG 3.550 . 5.950 3.273 3.018 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 20 PRO HA 1 21 PRO HD2 2.900 . 3.900 2.691 2.432 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 20 PRO HA 1 21 PRO HD3 2.900 . 3.900 2.287 2.004 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 20 PRO HB2 1 21 PRO HD2 3.090 . 3.710 2.584 1.949 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 20 PRO HB2 1 21 PRO HD3 3.480 . 4.180 3.745 3.175 4.190 0.010 26 0 "[ . 1 . 2 . 3]" 1
245 1 20 PRO HB3 1 21 PRO HD2 3.900 . 4.700 2.657 2.002 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 20 PRO HB3 1 21 PRO HD3 3.280 . 3.930 3.507 3.018 3.945 0.015 19 0 "[ . 1 . 2 . 3]" 1
247 1 20 PRO QG 1 21 PRO HD2 3.090 . 5.400 4.135 3.839 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 20 PRO QG 1 21 PRO HD3 3.280 . 5.630 4.842 4.485 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 21 PRO HB2 1 22 PRO HD2 4.570 . 5.480 3.398 2.375 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 21 PRO HB2 1 22 PRO HD3 3.970 . 4.760 4.295 3.335 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 21 PRO HB3 1 21 PRO HD3 3.830 . 4.600 3.564 2.946 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 21 PRO HB3 1 22 PRO HD2 3.610 . 4.330 3.030 2.357 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 21 PRO HB3 1 22 PRO HD3 3.300 . 3.960 3.918 3.288 4.030 0.070 12 0 "[ . 1 . 2 . 3]" 1
254 1 22 PRO HA 1 22 PRO HB2 2.600 . 4.600 2.798 2.672 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 22 PRO HA 1 22 PRO HD2 3.810 . 4.570 4.027 3.886 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 22 PRO HA 1 22 PRO HD3 4.030 . 4.840 3.641 3.201 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 22 PRO HA 1 23 SER H 2.420 . 3.420 2.735 2.204 3.550 0.130 23 0 "[ . 1 . 2 . 3]" 1
258 1 22 PRO HB2 1 23 SER H 3.370 . 5.040 3.890 1.891 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 22 PRO HD2 1 23 SER H 3.500 . 5.500 4.255 2.343 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 22 PRO HD3 1 23 SER H 3.500 . 5.000 4.751 3.671 5.198 0.198 29 0 "[ . 1 . 2 . 3]" 1
261 1 23 SER H 1 23 SER HA 2.380 . 2.860 2.823 2.264 2.937 0.077 29 0 "[ . 1 . 2 . 3]" 1
262 1 23 SER H 1 23 SER HB2 3.420 . 4.100 3.262 2.382 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 23 SER H 1 23 SER HB3 3.380 . 4.060 3.231 2.639 4.072 0.012 2 0 "[ . 1 . 2 . 3]" 1
264 1 23 SER HA 1 23 SER HB2 2.960 . 3.550 2.631 2.274 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 23 SER HA 1 23 SER HB3 3.000 . 3.600 2.671 2.362 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
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