NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399658 |
1udk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1udk
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 490
_Distance_constraint_stats_list.Viol_count 1268
_Distance_constraint_stats_list.Viol_total 843.067
_Distance_constraint_stats_list.Viol_max 0.165
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0332
_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 ASN 0.006 0.006 10 0 "[ . 1 . 2]"
1 2 GLU 0.671 0.129 12 0 "[ . 1 . 2]"
1 3 LYS 0.376 0.017 19 0 "[ . 1 . 2]"
1 4 SER 0.104 0.016 19 0 "[ . 1 . 2]"
1 5 GLY 1.076 0.046 9 0 "[ . 1 . 2]"
1 6 SER 2.551 0.091 14 0 "[ . 1 . 2]"
1 7 CYS 1.210 0.091 14 0 "[ . 1 . 2]"
1 8 PRO 0.188 0.022 15 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 1.019 0.131 4 0 "[ . 1 . 2]"
1 12 MET 0.015 0.012 20 0 "[ . 1 . 2]"
1 13 PRO 0.063 0.036 2 0 "[ . 1 . 2]"
1 14 ILE 0.097 0.036 2 0 "[ . 1 . 2]"
1 15 PRO 0.156 0.045 10 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LEU 0.287 0.045 10 0 "[ . 1 . 2]"
1 18 GLY 0.582 0.099 3 0 "[ . 1 . 2]"
1 19 ILE 1.803 0.101 10 0 "[ . 1 . 2]"
1 20 CYS 0.456 0.086 14 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.339 0.045 18 0 "[ . 1 . 2]"
1 23 LEU 2.338 0.110 18 0 "[ . 1 . 2]"
1 24 CYS 0.507 0.054 17 0 "[ . 1 . 2]"
1 25 ASN 0.137 0.055 4 0 "[ . 1 . 2]"
1 26 SER 3.420 0.129 17 0 "[ . 1 . 2]"
1 27 ASP 2.978 0.092 15 0 "[ . 1 . 2]"
1 28 SER 0.010 0.009 9 0 "[ . 1 . 2]"
1 29 GLY 2.692 0.114 15 0 "[ . 1 . 2]"
1 30 CYS 6.768 0.165 12 0 "[ . 1 . 2]"
1 31 PRO 3.223 0.165 12 0 "[ . 1 . 2]"
1 32 ASN 1.111 0.067 15 0 "[ . 1 . 2]"
1 33 VAL 2.619 0.108 9 0 "[ . 1 . 2]"
1 34 GLN 5.121 0.100 15 0 "[ . 1 . 2]"
1 35 LYS 5.237 0.108 19 0 "[ . 1 . 2]"
1 36 CYS 1.780 0.067 6 0 "[ . 1 . 2]"
1 37 CYS 1.790 0.091 17 0 "[ . 1 . 2]"
1 38 LYS 1.571 0.114 16 0 "[ . 1 . 2]"
1 39 ASN 0.315 0.073 16 0 "[ . 1 . 2]"
1 41 CYS 0.669 0.099 6 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 MET 0.090 0.015 3 0 "[ . 1 . 2]"
1 45 THR 0.371 0.030 15 0 "[ . 1 . 2]"
1 46 CYS 1.553 0.081 17 0 "[ . 1 . 2]"
1 47 THR 4.493 0.081 17 0 "[ . 1 . 2]"
1 48 THR 1.082 0.055 4 0 "[ . 1 . 2]"
1 49 PRO 0.056 0.013 10 0 "[ . 1 . 2]"
1 50 VAL 1.110 0.160 9 0 "[ . 1 . 2]"
1 51 PRO 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 1 ASN HA 1 2 GLU H 0.000 . 2.650 2.332 2.147 2.656 0.006 10 0 "[ . 1 . 2]" 1
2 1 2 GLU H 1 2 GLU HA 0.000 . 2.590 2.400 2.260 2.719 0.129 12 0 "[ . 1 . 2]" 1
3 1 2 GLU H 1 2 GLU QB 0.000 . 3.390 3.006 2.320 3.257 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU H 1 2 GLU QG 0.000 . 4.450 3.718 2.929 4.426 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU H 1 3 LYS H 0.000 . 4.290 3.814 1.974 4.302 0.012 14 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 3 LYS H 0.000 . 2.930 2.240 2.139 2.755 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLU HA 1 27 ASP HB2 0.000 . 5.130 3.953 3.017 5.107 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU HA 1 27 ASP QB 0.000 . 4.590 3.586 2.775 4.500 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU HA 1 27 ASP HB3 0.000 . 5.130 4.125 3.242 5.063 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLU QG 1 3 LYS H 0.000 . 6.380 3.444 2.391 4.531 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS H 1 3 LYS HB2 0.000 . 3.110 2.324 2.206 2.458 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS H 1 3 LYS QB 0.000 . 2.800 2.256 2.163 2.363 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS H 1 3 LYS HB3 0.000 . 3.110 3.069 2.972 3.127 0.017 19 0 "[ . 1 . 2]" 1
14 1 3 LYS H 1 3 LYS HG2 0.000 . 4.630 4.575 4.465 4.644 0.014 17 0 "[ . 1 . 2]" 1
15 1 3 LYS H 1 3 LYS QG 0.000 . 3.940 3.856 3.723 3.950 0.010 6 0 "[ . 1 . 2]" 1
16 1 3 LYS H 1 3 LYS HG3 0.000 . 4.630 4.155 3.978 4.332 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS H 1 4 SER H 0.000 . 4.140 2.477 2.294 2.674 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS H 1 27 ASP HB2 0.000 . 4.350 4.239 3.936 4.355 0.005 12 0 "[ . 1 . 2]" 1
19 1 3 LYS H 1 27 ASP QB 0.000 . 4.020 3.649 3.324 3.810 . 0 0 "[ . 1 . 2]" 1
20 1 3 LYS H 1 27 ASP HB3 0.000 . 4.350 3.987 3.542 4.209 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS H 1 35 LYS QZ 0.000 . 6.310 3.661 3.274 4.282 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS HA 1 3 LYS HE2 0.000 . 5.500 4.357 3.851 4.738 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS HA 1 3 LYS QE 0.000 . 4.970 4.159 3.726 4.464 . 0 0 "[ . 1 . 2]" 1
24 1 3 LYS HA 1 3 LYS HE3 0.000 . 5.500 5.287 4.961 5.472 . 0 0 "[ . 1 . 2]" 1
25 1 3 LYS HA 1 3 LYS QZ 0.000 . 6.310 5.247 4.979 5.465 . 0 0 "[ . 1 . 2]" 1
26 1 3 LYS QB 1 3 LYS QE 0.000 . 2.970 2.589 2.398 2.784 . 0 0 "[ . 1 . 2]" 1
27 1 3 LYS QB 1 4 SER H 0.000 . 2.850 2.225 1.963 2.472 . 0 0 "[ . 1 . 2]" 1
28 1 3 LYS QB 1 27 ASP QB 0.000 . 4.710 3.305 2.759 3.751 . 0 0 "[ . 1 . 2]" 1
29 1 3 LYS HB2 1 3 LYS HE2 0.000 . 3.950 2.945 2.692 3.294 . 0 0 "[ . 1 . 2]" 1
30 1 3 LYS HB2 1 3 LYS HE3 0.000 . 3.950 3.108 2.743 3.373 . 0 0 "[ . 1 . 2]" 1
31 1 3 LYS HB2 1 4 SER H 0.000 . 3.110 3.108 3.029 3.126 0.016 19 0 "[ . 1 . 2]" 1
32 1 3 LYS HB3 1 3 LYS HE2 0.000 . 3.950 3.935 3.839 3.955 0.005 18 0 "[ . 1 . 2]" 1
33 1 3 LYS HB3 1 3 LYS HE3 0.000 . 3.950 3.799 3.455 3.958 0.008 5 0 "[ . 1 . 2]" 1
34 1 3 LYS HB3 1 4 SER H 0.000 . 3.110 2.287 1.987 2.590 . 0 0 "[ . 1 . 2]" 1
35 1 3 LYS QD 1 27 ASP QB 0.000 . 6.110 4.861 4.497 5.123 . 0 0 "[ . 1 . 2]" 1
36 1 3 LYS QD 1 35 LYS HA 0.000 . 5.140 5.120 4.944 5.149 0.009 18 0 "[ . 1 . 2]" 1
37 1 3 LYS QE 1 3 LYS QG 0.000 . 3.060 2.004 1.951 2.078 . 0 0 "[ . 1 . 2]" 1
38 1 3 LYS QE 1 27 ASP QB 0.000 . 5.390 3.347 2.996 3.722 . 0 0 "[ . 1 . 2]" 1
39 1 3 LYS QE 1 28 SER HA 0.000 . 4.180 2.865 2.496 3.323 . 0 0 "[ . 1 . 2]" 1
40 1 3 LYS HE2 1 3 LYS HG3 0.000 . 3.420 2.043 1.990 2.121 . 0 0 "[ . 1 . 2]" 1
41 1 3 LYS HE2 1 28 SER HA 0.000 . 4.720 2.927 2.527 3.415 . 0 0 "[ . 1 . 2]" 1
42 1 3 LYS HE3 1 3 LYS HG3 0.000 . 3.420 3.282 3.135 3.392 . 0 0 "[ . 1 . 2]" 1
43 1 3 LYS HE3 1 28 SER HA 0.000 . 4.720 4.123 3.467 4.721 0.001 7 0 "[ . 1 . 2]" 1
44 1 3 LYS QG 1 27 ASP QB 0.000 . 4.930 4.000 3.684 4.397 . 0 0 "[ . 1 . 2]" 1
45 1 3 LYS QZ 1 27 ASP HA 0.000 . 6.310 4.637 4.103 5.084 . 0 0 "[ . 1 . 2]" 1
46 1 3 LYS QZ 1 27 ASP QB 0.000 . 6.730 4.611 4.055 5.118 . 0 0 "[ . 1 . 2]" 1
47 1 3 LYS QZ 1 28 SER HA 0.000 . 6.220 2.868 1.987 3.729 . 0 0 "[ . 1 . 2]" 1
48 1 3 LYS QZ 1 30 CYS H 0.000 . 5.570 4.168 3.521 4.580 . 0 0 "[ . 1 . 2]" 1
49 1 3 LYS QZ 1 30 CYS HA 0.000 . 6.310 5.008 4.486 5.466 . 0 0 "[ . 1 . 2]" 1
50 1 3 LYS QZ 1 31 PRO HA 0.000 . 6.310 3.788 3.144 4.331 . 0 0 "[ . 1 . 2]" 1
51 1 3 LYS QZ 1 31 PRO HD2 0.000 . 6.310 5.433 4.907 6.110 . 0 0 "[ . 1 . 2]" 1
52 1 3 LYS QZ 1 31 PRO HD3 0.000 . 6.310 5.734 5.241 6.185 . 0 0 "[ . 1 . 2]" 1
53 1 3 LYS QZ 1 32 ASN H 0.000 . 6.310 4.570 4.110 5.071 . 0 0 "[ . 1 . 2]" 1
54 1 3 LYS QZ 1 33 VAL H 0.000 . 6.310 4.207 3.469 4.991 . 0 0 "[ . 1 . 2]" 1
55 1 3 LYS QZ 1 33 VAL HA 0.000 . 5.070 2.555 1.962 3.465 . 0 0 "[ . 1 . 2]" 1
56 1 3 LYS QZ 1 34 GLN H 0.000 . 5.110 3.792 2.977 4.411 . 0 0 "[ . 1 . 2]" 1
57 1 3 LYS QZ 1 34 GLN HA 0.000 . 6.310 5.509 4.921 6.159 . 0 0 "[ . 1 . 2]" 1
58 1 3 LYS QZ 1 34 GLN QB 0.000 . 7.190 4.869 4.206 5.397 . 0 0 "[ . 1 . 2]" 1
59 1 4 SER H 1 4 SER QB 0.000 . 3.440 2.821 2.581 3.279 . 0 0 "[ . 1 . 2]" 1
60 1 4 SER HA 1 4 SER QB 0.000 . 2.670 2.386 2.178 2.512 . 0 0 "[ . 1 . 2]" 1
61 1 4 SER QB 1 5 GLY H 0.000 . 3.650 2.301 2.003 3.045 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLY H 1 6 SER H 0.000 . 3.890 3.916 3.901 3.926 0.036 12 0 "[ . 1 . 2]" 1
63 1 5 GLY QA 1 6 SER H 0.000 . 2.770 2.111 2.103 2.119 . 0 0 "[ . 1 . 2]" 1
64 1 5 GLY HA2 1 6 SER H 0.000 . 3.080 3.107 3.096 3.126 0.046 9 0 "[ . 1 . 2]" 1
65 1 5 GLY HA3 1 6 SER H 0.000 . 3.080 2.148 2.137 2.157 . 0 0 "[ . 1 . 2]" 1
66 1 6 SER H 1 6 SER QB 0.000 . 3.570 3.031 2.714 3.283 . 0 0 "[ . 1 . 2]" 1
67 1 6 SER H 1 7 CYS H 0.000 . 4.230 4.283 4.267 4.321 0.091 14 0 "[ . 1 . 2]" 1
68 1 6 SER H 1 50 VAL QG 0.000 . 7.750 2.773 1.946 4.243 . 0 0 "[ . 1 . 2]" 1
69 1 6 SER H 1 50 VAL O 2.200 . 2.200 2.126 1.999 2.208 0.008 8 0 "[ . 1 . 2]" 1
70 1 6 SER HA 1 6 SER HB2 0.000 . 2.930 2.804 2.375 2.943 0.013 10 0 "[ . 1 . 2]" 1
71 1 6 SER HA 1 6 SER QB 0.000 . 2.650 2.290 2.160 2.542 . 0 0 "[ . 1 . 2]" 1
72 1 6 SER HA 1 6 SER HB3 0.000 . 2.930 2.490 2.244 2.932 0.002 8 0 "[ . 1 . 2]" 1
73 1 6 SER HA 1 7 CYS H 0.000 . 2.800 2.750 2.634 2.801 0.001 17 0 "[ . 1 . 2]" 1
74 1 6 SER HA 1 35 LYS QE 0.000 . 4.050 3.285 2.933 3.553 . 0 0 "[ . 1 . 2]" 1
75 1 6 SER HA 1 35 LYS QG 0.000 . 5.380 3.078 2.486 3.372 . 0 0 "[ . 1 . 2]" 1
76 1 6 SER QB 1 7 CYS H 0.000 . 3.200 2.040 1.917 2.136 . 0 0 "[ . 1 . 2]" 1
77 1 6 SER QB 1 50 VAL QG 0.000 . 6.500 3.260 2.464 5.253 . 0 0 "[ . 1 . 2]" 1
78 1 6 SER HB2 1 7 CYS H 0.000 . 3.520 2.551 1.928 3.529 0.009 7 0 "[ . 1 . 2]" 1
79 1 6 SER HB2 1 50 VAL MG1 0.000 . 8.440 3.751 2.763 6.565 . 0 0 "[ . 1 . 2]" 1
80 1 6 SER HB2 1 50 VAL MG2 0.000 . 8.440 5.374 3.840 7.410 . 0 0 "[ . 1 . 2]" 1
81 1 6 SER HB3 1 7 CYS H 0.000 . 3.520 2.527 2.024 3.516 . 0 0 "[ . 1 . 2]" 1
82 1 6 SER HB3 1 50 VAL MG1 0.000 . 8.440 4.314 2.586 6.229 . 0 0 "[ . 1 . 2]" 1
83 1 6 SER HB3 1 50 VAL MG2 0.000 . 8.440 5.994 4.787 7.374 . 0 0 "[ . 1 . 2]" 1
84 1 6 SER N 1 50 VAL O 3.200 2.900 3.200 2.974 2.892 3.135 0.008 1 0 "[ . 1 . 2]" 1
85 1 6 SER O 1 50 VAL H 2.200 . 2.200 2.212 2.190 2.221 0.021 10 0 "[ . 1 . 2]" 1
86 1 6 SER O 1 50 VAL N 3.200 2.900 3.200 3.179 3.126 3.196 . 0 0 "[ . 1 . 2]" 1
87 1 7 CYS H 1 7 CYS HB2 0.000 . 3.140 2.746 2.598 2.872 . 0 0 "[ . 1 . 2]" 1
88 1 7 CYS H 1 7 CYS QB 0.000 . 2.820 2.262 2.231 2.283 . 0 0 "[ . 1 . 2]" 1
89 1 7 CYS H 1 7 CYS HB3 0.000 . 3.140 2.413 2.347 2.493 . 0 0 "[ . 1 . 2]" 1
90 1 7 CYS H 1 35 LYS QE 0.000 . 5.320 5.306 5.122 5.335 0.015 1 0 "[ . 1 . 2]" 1
91 1 7 CYS H 1 50 VAL QG 0.000 . 8.090 3.897 3.283 5.642 . 0 0 "[ . 1 . 2]" 1
92 1 7 CYS QB 1 8 PRO QD 0.000 . 4.380 3.309 3.217 3.492 . 0 0 "[ . 1 . 2]" 1
93 1 7 CYS QB 1 37 CYS HA 0.000 . 5.940 4.276 3.345 4.526 . 0 0 "[ . 1 . 2]" 1
94 1 7 CYS QB 1 37 CYS QB 0.000 . 4.440 2.987 2.070 3.244 . 0 0 "[ . 1 . 2]" 1
95 1 7 CYS HB2 1 8 PRO HD2 0.000 . 5.980 3.847 3.535 4.323 . 0 0 "[ . 1 . 2]" 1
96 1 7 CYS HB2 1 8 PRO HD3 0.000 . 5.980 4.316 3.978 4.724 . 0 0 "[ . 1 . 2]" 1
97 1 7 CYS HB2 1 37 CYS HB2 0.000 . 5.640 3.122 2.094 3.425 . 0 0 "[ . 1 . 2]" 1
98 1 7 CYS HB2 1 37 CYS HB3 0.000 . 5.640 4.334 3.653 4.592 . 0 0 "[ . 1 . 2]" 1
99 1 7 CYS HB3 1 8 PRO HD2 0.000 . 5.980 4.205 4.025 4.543 . 0 0 "[ . 1 . 2]" 1
100 1 7 CYS HB3 1 8 PRO HD3 0.000 . 5.980 4.765 4.416 5.109 . 0 0 "[ . 1 . 2]" 1
101 1 7 CYS HB3 1 37 CYS HB2 0.000 . 5.640 4.509 3.711 4.732 . 0 0 "[ . 1 . 2]" 1
102 1 7 CYS HB3 1 37 CYS HB3 0.000 . 5.640 5.307 5.015 5.439 . 0 0 "[ . 1 . 2]" 1
103 1 8 PRO HA 1 50 VAL MG1 0.000 . 5.540 2.347 1.960 3.174 . 0 0 "[ . 1 . 2]" 1
104 1 8 PRO HA 1 50 VAL QG 0.000 . 4.620 2.091 1.831 2.896 . 0 0 "[ . 1 . 2]" 1
105 1 8 PRO HA 1 50 VAL MG2 0.000 . 5.540 2.866 1.845 3.563 . 0 0 "[ . 1 . 2]" 1
106 1 8 PRO QB 1 9 ASP H 0.000 . 4.220 2.608 2.108 3.870 . 0 0 "[ . 1 . 2]" 1
107 1 8 PRO QB 1 47 THR MG 0.000 . 5.480 3.972 3.369 4.469 . 0 0 "[ . 1 . 2]" 1
108 1 8 PRO QB 1 50 VAL QG 0.000 . 5.580 2.844 1.819 3.620 . 0 0 "[ . 1 . 2]" 1
109 1 8 PRO HB2 1 50 VAL MG1 0.000 . 6.820 4.469 4.146 5.543 . 0 0 "[ . 1 . 2]" 1
110 1 8 PRO HB2 1 50 VAL MG2 0.000 . 6.820 4.487 3.086 5.497 . 0 0 "[ . 1 . 2]" 1
111 1 8 PRO HB3 1 50 VAL MG1 0.000 . 6.820 3.594 3.078 4.418 . 0 0 "[ . 1 . 2]" 1
112 1 8 PRO HB3 1 50 VAL MG2 0.000 . 6.820 3.391 1.837 4.303 . 0 0 "[ . 1 . 2]" 1
113 1 8 PRO QD 1 37 CYS QB 0.000 . 3.870 3.053 2.793 3.318 . 0 0 "[ . 1 . 2]" 1
114 1 8 PRO QD 1 47 THR MG 0.000 . 4.890 2.194 1.825 3.050 . 0 0 "[ . 1 . 2]" 1
115 1 8 PRO QD 1 50 VAL H 0.000 . 5.690 3.800 3.494 4.158 . 0 0 "[ . 1 . 2]" 1
116 1 8 PRO QD 1 50 VAL QG 0.000 . 7.320 3.097 2.411 3.681 . 0 0 "[ . 1 . 2]" 1
117 1 8 PRO HD2 1 37 CYS HB2 0.000 . 5.110 3.441 2.992 3.850 . 0 0 "[ . 1 . 2]" 1
118 1 8 PRO HD2 1 37 CYS HB3 0.000 . 5.110 3.706 3.123 4.186 . 0 0 "[ . 1 . 2]" 1
119 1 8 PRO HD3 1 37 CYS HB2 0.000 . 5.110 4.354 3.953 4.785 . 0 0 "[ . 1 . 2]" 1
120 1 8 PRO HD3 1 37 CYS HB3 0.000 . 5.110 5.062 4.240 5.132 0.022 15 0 "[ . 1 . 2]" 1
121 1 9 ASP H 1 9 ASP QB 0.000 . 3.500 2.668 2.099 3.345 . 0 0 "[ . 1 . 2]" 1
122 1 10 MET H 1 10 MET HB2 0.000 . 3.980 2.933 2.330 3.956 . 0 0 "[ . 1 . 2]" 1
123 1 10 MET H 1 10 MET QB 0.000 . 3.590 2.689 2.216 3.239 . 0 0 "[ . 1 . 2]" 1
124 1 10 MET H 1 10 MET HB3 0.000 . 3.980 3.443 2.739 3.917 . 0 0 "[ . 1 . 2]" 1
125 1 10 MET H 1 10 MET HG2 0.000 . 5.500 4.063 1.983 5.159 . 0 0 "[ . 1 . 2]" 1
126 1 10 MET H 1 10 MET HG3 0.000 . 5.500 3.945 2.257 4.912 . 0 0 "[ . 1 . 2]" 1
127 1 11 SER H 1 11 SER HA 0.000 . 2.590 2.464 2.268 2.721 0.131 4 0 "[ . 1 . 2]" 1
128 1 11 SER H 1 11 SER QB 0.000 . 3.280 2.973 2.088 3.349 0.069 10 0 "[ . 1 . 2]" 1
129 1 11 SER HA 1 12 MET H 0.000 . 3.520 2.627 2.138 3.523 0.003 9 0 "[ . 1 . 2]" 1
130 1 12 MET H 1 12 MET HB2 0.000 . 3.920 2.919 2.092 3.932 0.012 20 0 "[ . 1 . 2]" 1
131 1 12 MET H 1 12 MET QB 0.000 . 3.690 2.724 2.069 3.359 . 0 0 "[ . 1 . 2]" 1
132 1 12 MET H 1 12 MET HB3 0.000 . 3.920 3.485 2.647 3.919 . 0 0 "[ . 1 . 2]" 1
133 1 12 MET H 1 12 MET HG2 0.000 . 5.500 4.379 2.186 5.267 . 0 0 "[ . 1 . 2]" 1
134 1 12 MET H 1 12 MET HG3 0.000 . 5.500 3.945 2.221 4.807 . 0 0 "[ . 1 . 2]" 1
135 1 12 MET HA 1 12 MET QG 0.000 . 3.820 2.387 2.064 3.337 . 0 0 "[ . 1 . 2]" 1
136 1 12 MET QB 1 12 MET QG 0.000 . 2.480 2.062 2.018 2.086 . 0 0 "[ . 1 . 2]" 1
137 1 13 PRO HA 1 14 ILE H 0.000 . 3.420 2.440 2.146 3.456 0.036 2 0 "[ . 1 . 2]" 1
138 1 13 PRO QB 1 14 ILE H 0.000 . 4.380 3.022 1.944 3.913 . 0 0 "[ . 1 . 2]" 1
139 1 14 ILE H 1 14 ILE HB 0.000 . 3.140 2.812 2.484 3.146 0.006 12 0 "[ . 1 . 2]" 1
140 1 14 ILE H 1 14 ILE HG12 0.000 . 4.630 3.897 1.997 4.582 . 0 0 "[ . 1 . 2]" 1
141 1 14 ILE H 1 14 ILE HG13 0.000 . 4.630 3.518 2.298 4.656 0.026 18 0 "[ . 1 . 2]" 1
142 1 14 ILE HA 1 14 ILE HG12 0.000 . 4.040 3.141 2.590 3.501 . 0 0 "[ . 1 . 2]" 1
143 1 14 ILE HA 1 14 ILE HG13 0.000 . 4.040 2.840 2.315 3.793 . 0 0 "[ . 1 . 2]" 1
144 1 14 ILE HA 1 15 PRO HD2 0.000 . 3.520 2.251 1.960 2.545 . 0 0 "[ . 1 . 2]" 1
145 1 14 ILE HA 1 15 PRO HD3 0.000 . 3.520 2.476 2.037 3.199 . 0 0 "[ . 1 . 2]" 1
146 1 14 ILE HB 1 15 PRO QD 0.000 . 4.700 4.045 3.654 4.391 . 0 0 "[ . 1 . 2]" 1
147 1 14 ILE MG 1 15 PRO QD 0.000 . 6.600 3.001 1.830 4.122 . 0 0 "[ . 1 . 2]" 1
148 1 15 PRO HA 1 17 LEU H 0.000 . 4.000 3.846 3.420 4.045 0.045 10 0 "[ . 1 . 2]" 1
149 1 16 PRO QB 1 17 LEU H 0.000 . 4.270 3.557 2.805 4.015 . 0 0 "[ . 1 . 2]" 1
150 1 16 PRO QG 1 17 LEU H 0.000 . 5.330 3.353 1.971 4.740 . 0 0 "[ . 1 . 2]" 1
151 1 17 LEU H 1 17 LEU HA 0.000 . 2.900 2.851 2.738 2.937 0.037 16 0 "[ . 1 . 2]" 1
152 1 17 LEU H 1 17 LEU HB2 0.000 . 2.800 2.425 2.242 2.806 0.006 16 0 "[ . 1 . 2]" 1
153 1 17 LEU H 1 17 LEU HB3 0.000 . 2.800 2.708 2.499 2.812 0.012 14 0 "[ . 1 . 2]" 1
154 1 18 GLY H 1 19 ILE H 0.000 . 4.040 3.111 1.960 4.055 0.015 1 0 "[ . 1 . 2]" 1
155 1 18 GLY HA2 1 19 ILE H 0.000 . 3.420 2.737 2.138 3.497 0.077 4 0 "[ . 1 . 2]" 1
156 1 18 GLY HA3 1 19 ILE H 0.000 . 3.420 3.171 2.140 3.519 0.099 3 0 "[ . 1 . 2]" 1
157 1 19 ILE H 1 19 ILE HB 0.000 . 3.170 2.889 2.667 3.269 0.099 14 0 "[ . 1 . 2]" 1
158 1 19 ILE H 1 19 ILE HG12 0.000 . 4.290 3.852 2.271 4.379 0.089 3 0 "[ . 1 . 2]" 1
159 1 19 ILE H 1 19 ILE HG13 0.000 . 4.290 3.367 2.444 4.391 0.101 10 0 "[ . 1 . 2]" 1
160 1 19 ILE H 1 20 CYS H 0.000 . 3.830 3.336 1.988 3.867 0.037 8 0 "[ . 1 . 2]" 1
161 1 19 ILE HA 1 19 ILE MD 0.000 . 4.730 3.446 1.971 3.978 . 0 0 "[ . 1 . 2]" 1
162 1 19 ILE HA 1 19 ILE QG 0.000 . 3.780 2.550 2.106 3.169 . 0 0 "[ . 1 . 2]" 1
163 1 19 ILE HA 1 20 CYS H 0.000 . 3.210 2.757 2.151 3.264 0.054 13 0 "[ . 1 . 2]" 1
164 1 19 ILE MG 1 20 CYS H 0.000 . 5.440 3.258 1.920 4.228 . 0 0 "[ . 1 . 2]" 1
165 1 19 ILE MG 1 41 CYS H 0.000 . 5.160 4.579 1.967 5.169 0.009 2 0 "[ . 1 . 2]" 1
166 1 20 CYS H 1 20 CYS HB2 0.000 . 3.890 2.865 2.060 3.877 . 0 0 "[ . 1 . 2]" 1
167 1 20 CYS H 1 20 CYS HB3 0.000 . 3.890 3.487 2.482 3.976 0.086 14 0 "[ . 1 . 2]" 1
168 1 21 LYS HA 1 22 THR H 0.000 . 3.020 2.238 2.130 2.486 . 0 0 "[ . 1 . 2]" 1
169 1 21 LYS HA 1 43 PHE QD 0.000 . 3.950 3.321 2.538 3.923 . 0 0 "[ . 1 . 2]" 1
170 1 21 LYS HA 1 43 PHE QE 0.000 . 5.380 3.571 2.138 5.265 . 0 0 "[ . 1 . 2]" 1
171 1 22 THR H 1 22 THR HB 0.000 . 2.900 2.686 2.565 2.933 0.033 18 0 "[ . 1 . 2]" 1
172 1 22 THR H 1 22 THR MG 0.000 . 4.230 2.049 1.949 3.262 . 0 0 "[ . 1 . 2]" 1
173 1 22 THR H 1 43 PHE QD 0.000 . 4.450 3.161 2.063 4.394 . 0 0 "[ . 1 . 2]" 1
174 1 22 THR H 1 43 PHE QE 0.000 . 5.500 4.027 2.969 5.326 . 0 0 "[ . 1 . 2]" 1
175 1 22 THR HA 1 22 THR HB 0.000 . 2.400 2.411 2.381 2.445 0.045 18 0 "[ . 1 . 2]" 1
176 1 22 THR HB 1 43 PHE QD 0.000 . 5.500 2.956 1.970 4.158 . 0 0 "[ . 1 . 2]" 1
177 1 22 THR MG 1 24 CYS H 0.000 . 5.000 4.889 4.571 5.008 0.008 2 0 "[ . 1 . 2]" 1
178 1 22 THR MG 1 44 MET QB 0.000 . 5.570 4.328 3.700 5.359 . 0 0 "[ . 1 . 2]" 1
179 1 23 LEU H 1 23 LEU HB2 0.000 . 3.860 3.111 2.393 3.875 0.015 10 0 "[ . 1 . 2]" 1
180 1 23 LEU H 1 23 LEU QB 0.000 . 3.630 2.811 2.334 3.371 . 0 0 "[ . 1 . 2]" 1
181 1 23 LEU H 1 23 LEU HB3 0.000 . 3.860 3.414 2.992 3.709 . 0 0 "[ . 1 . 2]" 1
182 1 23 LEU H 1 23 LEU HG 0.000 . 4.940 3.807 1.964 4.860 . 0 0 "[ . 1 . 2]" 1
183 1 23 LEU H 1 24 CYS H 0.000 . 3.330 2.059 1.922 2.402 . 0 0 "[ . 1 . 2]" 1
184 1 23 LEU HA 1 23 LEU HB2 0.000 . 2.740 2.721 2.391 2.825 0.085 2 0 "[ . 1 . 2]" 1
185 1 23 LEU HA 1 23 LEU HB3 0.000 . 2.740 2.696 2.286 2.850 0.110 18 0 "[ . 1 . 2]" 1
186 1 23 LEU HA 1 23 LEU HG 0.000 . 3.890 2.694 2.065 3.681 . 0 0 "[ . 1 . 2]" 1
187 1 23 LEU QB 1 23 LEU HG 0.000 . 2.620 2.474 2.171 2.537 . 0 0 "[ . 1 . 2]" 1
188 1 24 CYS H 1 24 CYS HB3 0.000 . 3.050 2.960 2.757 3.082 0.032 2 0 "[ . 1 . 2]" 1
189 1 24 CYS H 1 44 MET O 2.200 . 2.200 2.172 2.030 2.215 0.015 3 0 "[ . 1 . 2]" 1
190 1 24 CYS HA 1 24 CYS HB2 0.000 . 2.650 2.449 2.250 2.538 . 0 0 "[ . 1 . 2]" 1
191 1 24 CYS HA 1 24 CYS HB3 0.000 . 2.650 2.457 2.371 2.704 0.054 17 0 "[ . 1 . 2]" 1
192 1 24 CYS QB 1 29 GLY QA 0.000 . 5.170 2.915 2.652 3.145 . 0 0 "[ . 1 . 2]" 1
193 1 24 CYS HB2 1 25 ASN H 0.000 . 3.610 2.419 2.218 2.587 . 0 0 "[ . 1 . 2]" 1
194 1 24 CYS HB2 1 29 GLY HA2 0.000 . 5.500 4.547 3.869 4.881 . 0 0 "[ . 1 . 2]" 1
195 1 24 CYS HB2 1 29 GLY HA3 0.000 . 5.500 3.023 2.723 3.300 . 0 0 "[ . 1 . 2]" 1
196 1 24 CYS HB3 1 29 GLY HA2 0.000 . 5.500 5.514 5.507 5.518 0.018 2 0 "[ . 1 . 2]" 1
197 1 24 CYS HB3 1 29 GLY HA3 0.000 . 5.500 4.295 4.239 4.368 . 0 0 "[ . 1 . 2]" 1
198 1 24 CYS N 1 44 MET O 3.200 2.900 3.200 3.085 2.898 3.188 0.002 12 0 "[ . 1 . 2]" 1
199 1 25 ASN H 1 25 ASN HB2 0.000 . 4.010 2.591 2.290 3.794 . 0 0 "[ . 1 . 2]" 1
200 1 25 ASN H 1 25 ASN QB 0.000 . 3.370 2.439 2.262 3.134 . 0 0 "[ . 1 . 2]" 1
201 1 25 ASN H 1 25 ASN HB3 0.000 . 4.010 3.318 2.599 3.617 . 0 0 "[ . 1 . 2]" 1
202 1 25 ASN H 1 26 SER H 0.000 . 2.590 1.977 1.917 2.165 . 0 0 "[ . 1 . 2]" 1
203 1 25 ASN HA 1 25 ASN HB2 0.000 . 2.960 2.828 2.469 2.977 0.017 15 0 "[ . 1 . 2]" 1
204 1 25 ASN HA 1 25 ASN HB3 0.000 . 2.960 2.753 2.381 3.015 0.055 4 0 "[ . 1 . 2]" 1
205 1 26 SER H 1 26 SER HA 0.000 . 2.680 2.756 2.720 2.809 0.129 17 0 "[ . 1 . 2]" 1
206 1 26 SER H 1 26 SER HB2 0.000 . 3.800 3.505 3.110 3.834 0.034 11 0 "[ . 1 . 2]" 1
207 1 26 SER H 1 26 SER QB 0.000 . 3.490 3.063 2.918 3.422 . 0 0 "[ . 1 . 2]" 1
208 1 26 SER H 1 26 SER HB3 0.000 . 3.800 3.496 3.180 3.848 0.048 7 0 "[ . 1 . 2]" 1
209 1 26 SER H 1 27 ASP H 0.000 . 4.320 4.332 4.319 4.339 0.019 13 0 "[ . 1 . 2]" 1
210 1 26 SER HA 1 26 SER HB2 0.000 . 3.050 2.617 2.356 2.914 . 0 0 "[ . 1 . 2]" 1
211 1 26 SER HA 1 26 SER HB3 0.000 . 3.050 2.830 2.263 3.025 . 0 0 "[ . 1 . 2]" 1
212 1 26 SER HA 1 27 ASP H 0.000 . 2.560 2.572 2.483 2.619 0.059 17 0 "[ . 1 . 2]" 1
213 1 26 SER HB2 1 27 ASP H 0.000 . 3.610 3.356 2.153 3.650 0.040 17 0 "[ . 1 . 2]" 1
214 1 26 SER HB3 1 27 ASP H 0.000 . 3.610 2.944 2.126 3.617 0.007 19 0 "[ . 1 . 2]" 1
215 1 26 SER O 1 30 CYS H 2.200 . 2.200 2.236 2.220 2.266 0.066 15 0 "[ . 1 . 2]" 1
216 1 26 SER O 1 30 CYS N 3.200 2.900 3.200 3.086 3.011 3.156 . 0 0 "[ . 1 . 2]" 1
217 1 27 ASP H 1 27 ASP HB2 0.000 . 2.960 2.167 2.146 2.255 . 0 0 "[ . 1 . 2]" 1
218 1 27 ASP H 1 27 ASP QB 0.000 . 2.680 2.116 2.100 2.177 . 0 0 "[ . 1 . 2]" 1
219 1 27 ASP H 1 27 ASP HB3 0.000 . 2.960 2.972 2.871 2.988 0.028 17 0 "[ . 1 . 2]" 1
220 1 27 ASP H 1 28 SER H 0.000 . 3.110 2.917 2.790 3.119 0.009 9 0 "[ . 1 . 2]" 1
221 1 27 ASP H 1 29 GLY H 0.000 . 4.720 3.904 3.854 3.994 . 0 0 "[ . 1 . 2]" 1
222 1 27 ASP H 1 36 CYS H 0.000 . 4.070 3.892 3.698 4.076 0.006 17 0 "[ . 1 . 2]" 1
223 1 27 ASP H 1 36 CYS QB 0.000 . 4.950 3.185 2.985 3.629 . 0 0 "[ . 1 . 2]" 1
224 1 27 ASP HA 1 27 ASP HB2 0.000 . 2.900 2.650 2.570 2.671 . 0 0 "[ . 1 . 2]" 1
225 1 27 ASP HA 1 27 ASP QB 0.000 . 2.700 2.475 2.429 2.486 . 0 0 "[ . 1 . 2]" 1
226 1 27 ASP HA 1 27 ASP HB3 0.000 . 2.900 2.968 2.960 2.992 0.092 15 0 "[ . 1 . 2]" 1
227 1 27 ASP HA 1 29 GLY H 0.000 . 3.890 3.906 3.902 3.914 0.024 11 0 "[ . 1 . 2]" 1
228 1 27 ASP HA 1 36 CYS H 0.000 . 2.870 2.683 2.363 2.896 0.026 11 0 "[ . 1 . 2]" 1
229 1 27 ASP HA 1 36 CYS QB 0.000 . 3.680 3.113 2.779 3.629 . 0 0 "[ . 1 . 2]" 1
230 1 27 ASP QB 1 28 SER H 0.000 . 3.300 2.386 2.130 2.655 . 0 0 "[ . 1 . 2]" 1
231 1 27 ASP QB 1 28 SER HA 0.000 . 4.610 3.849 3.799 3.907 . 0 0 "[ . 1 . 2]" 1
232 1 27 ASP HB2 1 28 SER H 0.000 . 3.670 3.465 3.397 3.595 . 0 0 "[ . 1 . 2]" 1
233 1 27 ASP HB2 1 36 CYS H 0.000 . 5.500 3.953 3.720 4.344 . 0 0 "[ . 1 . 2]" 1
234 1 27 ASP HB3 1 28 SER H 0.000 . 3.670 2.434 2.152 2.734 . 0 0 "[ . 1 . 2]" 1
235 1 27 ASP HB3 1 36 CYS H 0.000 . 5.500 5.140 4.855 5.464 . 0 0 "[ . 1 . 2]" 1
236 1 28 SER H 1 28 SER QB 0.000 . 3.400 2.393 2.107 2.785 . 0 0 "[ . 1 . 2]" 1
237 1 28 SER H 1 29 GLY H 0.000 . 2.960 2.594 2.514 2.673 . 0 0 "[ . 1 . 2]" 1
238 1 28 SER H 1 36 CYS QB 0.000 . 6.380 5.036 4.653 5.862 . 0 0 "[ . 1 . 2]" 1
239 1 28 SER HA 1 28 SER QB 0.000 . 2.600 2.338 2.173 2.512 . 0 0 "[ . 1 . 2]" 1
240 1 28 SER QB 1 29 GLY H 0.000 . 4.270 3.324 3.035 3.684 . 0 0 "[ . 1 . 2]" 1
241 1 29 GLY H 1 29 GLY HA2 0.000 . 2.830 2.856 2.821 2.876 0.046 2 0 "[ . 1 . 2]" 1
242 1 29 GLY H 1 29 GLY QA 0.000 . 2.550 2.214 2.199 2.225 . 0 0 "[ . 1 . 2]" 1
243 1 29 GLY H 1 29 GLY HA3 0.000 . 2.830 2.307 2.294 2.317 . 0 0 "[ . 1 . 2]" 1
244 1 29 GLY H 1 30 CYS H 0.000 . 2.990 2.517 2.385 2.776 . 0 0 "[ . 1 . 2]" 1
245 1 29 GLY QA 1 30 CYS H 0.000 . 3.140 2.705 2.532 2.792 . 0 0 "[ . 1 . 2]" 1
246 1 29 GLY HA2 1 30 CYS H 0.000 . 3.420 3.498 3.471 3.534 0.114 15 0 "[ . 1 . 2]" 1
247 1 30 CYS H 1 30 CYS HB2 0.000 . 2.800 2.230 2.176 2.295 . 0 0 "[ . 1 . 2]" 1
248 1 30 CYS HA 1 30 CYS HB2 0.000 . 2.900 2.971 2.950 2.987 0.087 2 0 "[ . 1 . 2]" 1
249 1 30 CYS HA 1 30 CYS HB3 0.000 . 2.900 2.630 2.567 2.689 . 0 0 "[ . 1 . 2]" 1
250 1 30 CYS HA 1 31 PRO HA 0.000 . 4.200 4.351 4.339 4.365 0.165 12 0 "[ . 1 . 2]" 1
251 1 30 CYS HA 1 31 PRO HD2 0.000 . 2.870 2.638 2.505 2.881 0.011 19 0 "[ . 1 . 2]" 1
252 1 30 CYS HA 1 31 PRO QD 0.000 . 2.490 1.930 1.768 2.047 . 0 0 "[ . 1 . 2]" 1
253 1 30 CYS HA 1 31 PRO HD3 0.000 . 2.870 1.996 1.784 2.168 . 0 0 "[ . 1 . 2]" 1
254 1 30 CYS HA 1 31 PRO QG 0.000 . 5.380 3.857 3.618 3.982 . 0 0 "[ . 1 . 2]" 1
255 1 30 CYS HA 1 46 CYS QB 0.000 . 6.350 4.484 4.128 4.854 . 0 0 "[ . 1 . 2]" 1
256 1 30 CYS QB 1 31 PRO QD 0.000 . 4.530 2.561 2.364 2.782 . 0 0 "[ . 1 . 2]" 1
257 1 30 CYS QB 1 34 GLN QB 0.000 . 4.680 2.313 1.999 2.578 . 0 0 "[ . 1 . 2]" 1
258 1 30 CYS QB 1 34 GLN QG 0.000 . 5.020 4.190 3.841 4.440 . 0 0 "[ . 1 . 2]" 1
259 1 30 CYS QB 1 46 CYS QB 0.000 . 4.900 3.216 2.819 3.518 . 0 0 "[ . 1 . 2]" 1
260 1 30 CYS HB2 1 31 PRO HD2 0.000 . 5.550 4.200 3.964 4.537 . 0 0 "[ . 1 . 2]" 1
261 1 30 CYS HB2 1 31 PRO HD3 0.000 . 5.550 4.630 4.435 4.748 . 0 0 "[ . 1 . 2]" 1
262 1 30 CYS HB3 1 31 PRO HD2 0.000 . 5.550 2.676 2.429 3.011 . 0 0 "[ . 1 . 2]" 1
263 1 30 CYS HB3 1 31 PRO HD3 0.000 . 5.550 3.614 3.450 3.791 . 0 0 "[ . 1 . 2]" 1
264 1 31 PRO QB 1 32 ASN H 0.000 . 3.040 2.195 2.003 2.501 . 0 0 "[ . 1 . 2]" 1
265 1 31 PRO QB 1 32 ASN QD 0.000 . 4.440 2.308 1.959 2.877 . 0 0 "[ . 1 . 2]" 1
266 1 31 PRO QB 1 33 VAL QG 0.000 . 8.960 5.816 5.479 6.054 . 0 0 "[ . 1 . 2]" 1
267 1 31 PRO QB 1 34 GLN QE 0.000 . 7.240 5.788 4.461 7.004 . 0 0 "[ . 1 . 2]" 1
268 1 31 PRO HB2 1 32 ASN H 0.000 . 3.300 2.277 2.021 2.792 . 0 0 "[ . 1 . 2]" 1
269 1 31 PRO HB2 1 32 ASN HD21 0.000 . 5.500 2.386 1.991 3.073 . 0 0 "[ . 1 . 2]" 1
270 1 31 PRO HB2 1 32 ASN HD22 0.000 . 5.500 3.347 3.059 3.754 . 0 0 "[ . 1 . 2]" 1
271 1 31 PRO HB3 1 32 ASN H 0.000 . 3.300 3.165 2.657 3.327 0.027 6 0 "[ . 1 . 2]" 1
272 1 31 PRO HB3 1 32 ASN HD21 0.000 . 5.500 4.028 3.496 4.650 . 0 0 "[ . 1 . 2]" 1
273 1 31 PRO HB3 1 32 ASN HD22 0.000 . 5.500 4.844 4.324 5.260 . 0 0 "[ . 1 . 2]" 1
274 1 31 PRO QD 1 32 ASN QD 0.000 . 6.930 4.165 3.753 4.585 . 0 0 "[ . 1 . 2]" 1
275 1 31 PRO QD 1 34 GLN QB 0.000 . 6.260 3.045 2.605 3.494 . 0 0 "[ . 1 . 2]" 1
276 1 31 PRO QD 1 34 GLN QG 0.000 . 7.250 4.350 3.989 4.874 . 0 0 "[ . 1 . 2]" 1
277 1 31 PRO QD 1 46 CYS QB 0.000 . 5.360 3.357 3.010 3.849 . 0 0 "[ . 1 . 2]" 1
278 1 31 PRO HD2 1 46 CYS HB2 0.000 . 6.880 4.169 3.767 4.728 . 0 0 "[ . 1 . 2]" 1
279 1 31 PRO HD2 1 46 CYS HB3 0.000 . 6.880 3.696 3.273 4.277 . 0 0 "[ . 1 . 2]" 1
280 1 31 PRO HD3 1 46 CYS HB2 0.000 . 6.880 5.181 4.581 5.867 . 0 0 "[ . 1 . 2]" 1
281 1 31 PRO HD3 1 46 CYS HB3 0.000 . 6.880 5.040 4.489 5.666 . 0 0 "[ . 1 . 2]" 1
282 1 31 PRO QG 1 32 ASN QD 0.000 . 5.960 2.784 2.110 4.210 . 0 0 "[ . 1 . 2]" 1
283 1 31 PRO QG 1 46 CYS QB 0.000 . 6.940 4.526 4.025 5.212 . 0 0 "[ . 1 . 2]" 1
284 1 31 PRO HG2 1 32 ASN HD21 0.000 . 6.970 2.914 2.150 4.630 . 0 0 "[ . 1 . 2]" 1
285 1 31 PRO HG2 1 32 ASN HD22 0.000 . 6.970 4.175 3.354 5.414 . 0 0 "[ . 1 . 2]" 1
286 1 31 PRO HG3 1 32 ASN HD21 0.000 . 6.970 4.205 3.617 5.846 . 0 0 "[ . 1 . 2]" 1
287 1 31 PRO HG3 1 32 ASN HD22 0.000 . 6.970 5.157 4.485 6.501 . 0 0 "[ . 1 . 2]" 1
288 1 31 PRO O 1 34 GLN H 2.200 . 2.200 2.105 2.020 2.208 0.008 15 0 "[ . 1 . 2]" 1
289 1 31 PRO O 1 34 GLN N 3.200 2.900 3.200 3.037 2.963 3.150 . 0 0 "[ . 1 . 2]" 1
290 1 32 ASN H 1 32 ASN HA 0.000 . 2.560 2.272 2.262 2.284 . 0 0 "[ . 1 . 2]" 1
291 1 32 ASN H 1 32 ASN HB2 0.000 . 4.000 3.365 3.305 3.416 . 0 0 "[ . 1 . 2]" 1
292 1 32 ASN H 1 32 ASN HB3 0.000 . 4.000 4.013 3.997 4.033 0.033 11 0 "[ . 1 . 2]" 1
293 1 32 ASN H 1 32 ASN HD21 0.000 . 5.500 3.139 2.615 3.973 . 0 0 "[ . 1 . 2]" 1
294 1 32 ASN H 1 32 ASN QD 0.000 . 5.130 3.012 2.561 3.683 . 0 0 "[ . 1 . 2]" 1
295 1 32 ASN H 1 32 ASN HD22 0.000 . 5.500 3.923 3.661 4.355 . 0 0 "[ . 1 . 2]" 1
296 1 32 ASN H 1 33 VAL H 0.000 . 4.290 4.223 4.144 4.303 0.013 15 0 "[ . 1 . 2]" 1
297 1 32 ASN H 1 34 GLN H 0.000 . 4.970 5.003 4.986 5.037 0.067 15 0 "[ . 1 . 2]" 1
298 1 32 ASN HA 1 32 ASN HD22 0.000 . 5.500 4.247 4.074 4.486 . 0 0 "[ . 1 . 2]" 1
299 1 32 ASN QB 1 33 VAL H 0.000 . 2.710 1.887 1.852 1.906 . 0 0 "[ . 1 . 2]" 1
300 1 32 ASN QB 1 33 VAL QG 0.000 . 5.130 2.594 2.290 2.804 . 0 0 "[ . 1 . 2]" 1
301 1 32 ASN QB 1 34 GLN H 0.000 . 4.800 3.064 2.902 3.217 . 0 0 "[ . 1 . 2]" 1
302 1 32 ASN HB2 1 33 VAL H 0.000 . 2.990 1.993 1.960 2.069 . 0 0 "[ . 1 . 2]" 1
303 1 32 ASN HB2 1 33 VAL MG1 0.000 . 5.780 4.019 3.543 4.701 . 0 0 "[ . 1 . 2]" 1
304 1 32 ASN HB2 1 33 VAL MG2 0.000 . 5.780 4.715 3.347 5.601 . 0 0 "[ . 1 . 2]" 1
305 1 32 ASN HB3 1 33 VAL H 0.000 . 2.990 2.344 2.227 2.463 . 0 0 "[ . 1 . 2]" 1
306 1 32 ASN HB3 1 33 VAL MG1 0.000 . 5.780 3.163 2.727 3.821 . 0 0 "[ . 1 . 2]" 1
307 1 32 ASN HB3 1 33 VAL MG2 0.000 . 5.780 4.093 2.359 5.139 . 0 0 "[ . 1 . 2]" 1
308 1 32 ASN QD 1 34 GLN QB 0.000 . 7.150 4.845 4.599 5.112 . 0 0 "[ . 1 . 2]" 1
309 1 32 ASN HD21 1 33 VAL H 0.000 . 5.500 4.142 4.053 4.265 . 0 0 "[ . 1 . 2]" 1
310 1 32 ASN HD22 1 33 VAL H 0.000 . 5.500 5.439 5.404 5.501 0.001 19 0 "[ . 1 . 2]" 1
311 1 33 VAL H 1 33 VAL HA 0.000 . 2.870 2.879 2.850 2.904 0.034 20 0 "[ . 1 . 2]" 1
312 1 33 VAL H 1 33 VAL HB 0.000 . 3.700 3.572 3.382 3.808 0.108 9 0 "[ . 1 . 2]" 1
313 1 33 VAL H 1 33 VAL MG1 0.000 . 4.170 2.856 2.311 3.449 . 0 0 "[ . 1 . 2]" 1
314 1 33 VAL H 1 33 VAL QG 0.000 . 3.580 2.351 2.072 2.586 . 0 0 "[ . 1 . 2]" 1
315 1 33 VAL H 1 33 VAL MG2 0.000 . 4.170 3.294 2.090 4.026 . 0 0 "[ . 1 . 2]" 1
316 1 33 VAL H 1 34 GLN H 0.000 . 2.710 1.847 1.693 1.925 . 0 0 "[ . 1 . 2]" 1
317 1 33 VAL H 1 34 GLN HA 0.000 . 5.380 4.121 4.074 4.178 . 0 0 "[ . 1 . 2]" 1
318 1 33 VAL H 1 34 GLN HB2 0.000 . 5.000 3.813 3.608 4.023 . 0 0 "[ . 1 . 2]" 1
319 1 33 VAL H 1 34 GLN QB 0.000 . 4.300 3.704 3.536 3.875 . 0 0 "[ . 1 . 2]" 1
320 1 33 VAL H 1 34 GLN HB3 0.000 . 5.000 5.053 5.025 5.088 0.088 7 0 "[ . 1 . 2]" 1
321 1 33 VAL H 1 34 GLN HG2 0.000 . 5.500 4.180 3.989 4.622 . 0 0 "[ . 1 . 2]" 1
322 1 33 VAL H 1 34 GLN HG3 0.000 . 5.500 3.008 2.614 3.709 . 0 0 "[ . 1 . 2]" 1
323 1 33 VAL HA 1 33 VAL HB 0.000 . 2.490 2.505 2.472 2.559 0.069 15 0 "[ . 1 . 2]" 1
324 1 33 VAL QG 1 34 GLN QB 0.000 . 8.930 4.360 4.189 4.532 . 0 0 "[ . 1 . 2]" 1
325 1 33 VAL QG 1 34 GLN QE 0.000 . 8.950 5.453 5.339 5.590 . 0 0 "[ . 1 . 2]" 1
326 1 33 VAL QG 1 35 LYS QE 0.000 . 6.290 4.684 3.903 5.520 . 0 0 "[ . 1 . 2]" 1
327 1 33 VAL QG 1 48 THR MG 0.000 . 8.120 4.568 4.201 5.238 . 0 0 "[ . 1 . 2]" 1
328 1 33 VAL QG 1 49 PRO QD 0.000 . 6.260 3.103 2.740 3.747 . 0 0 "[ . 1 . 2]" 1
329 1 33 VAL MG1 1 34 GLN H 0.000 . 6.000 3.832 3.284 4.396 . 0 0 "[ . 1 . 2]" 1
330 1 33 VAL MG1 1 35 LYS HE2 0.000 . 8.100 6.722 6.124 7.436 . 0 0 "[ . 1 . 2]" 1
331 1 33 VAL MG1 1 35 LYS HE3 0.000 . 8.100 6.562 6.059 7.240 . 0 0 "[ . 1 . 2]" 1
332 1 33 VAL MG1 1 49 PRO HD2 0.000 . 7.970 4.647 3.422 6.592 . 0 0 "[ . 1 . 2]" 1
333 1 33 VAL MG1 1 49 PRO HD3 0.000 . 7.970 4.271 3.041 6.154 . 0 0 "[ . 1 . 2]" 1
334 1 33 VAL MG2 1 34 GLN H 0.000 . 6.000 3.788 2.854 4.185 . 0 0 "[ . 1 . 2]" 1
335 1 33 VAL MG2 1 35 LYS HE2 0.000 . 8.100 5.821 4.654 7.635 . 0 0 "[ . 1 . 2]" 1
336 1 33 VAL MG2 1 35 LYS HE3 0.000 . 8.100 5.635 4.253 7.230 . 0 0 "[ . 1 . 2]" 1
337 1 33 VAL MG2 1 49 PRO HD2 0.000 . 7.970 4.304 3.620 4.977 . 0 0 "[ . 1 . 2]" 1
338 1 33 VAL MG2 1 49 PRO HD3 0.000 . 7.970 3.887 3.273 4.320 . 0 0 "[ . 1 . 2]" 1
339 1 34 GLN H 1 34 GLN HB2 0.000 . 2.710 2.331 2.158 2.475 . 0 0 "[ . 1 . 2]" 1
340 1 34 GLN H 1 34 GLN HG2 0.000 . 3.480 3.510 3.491 3.527 0.047 12 0 "[ . 1 . 2]" 1
341 1 34 GLN H 1 34 GLN QG 0.000 . 3.310 2.545 2.314 2.812 . 0 0 "[ . 1 . 2]" 1
342 1 34 GLN H 1 34 GLN HG3 0.000 . 3.480 2.621 2.349 2.955 . 0 0 "[ . 1 . 2]" 1
343 1 34 GLN H 1 35 LYS H 0.000 . 5.000 4.585 4.566 4.601 . 0 0 "[ . 1 . 2]" 1
344 1 34 GLN HA 1 34 GLN HB2 0.000 . 3.020 3.001 2.968 3.019 . 0 0 "[ . 1 . 2]" 1
345 1 34 GLN HA 1 34 GLN HE21 0.000 . 5.500 4.340 4.018 4.723 . 0 0 "[ . 1 . 2]" 1
346 1 34 GLN HA 1 34 GLN HE22 0.000 . 5.500 5.536 5.429 5.582 0.082 12 0 "[ . 1 . 2]" 1
347 1 34 GLN HA 1 34 GLN HG2 0.000 . 3.080 2.314 2.107 2.520 . 0 0 "[ . 1 . 2]" 1
348 1 34 GLN HA 1 34 GLN QG 0.000 . 2.890 2.252 2.076 2.419 . 0 0 "[ . 1 . 2]" 1
349 1 34 GLN HA 1 34 GLN HG3 0.000 . 3.080 3.137 3.105 3.180 0.100 15 0 "[ . 1 . 2]" 1
350 1 34 GLN HA 1 35 LYS H 0.000 . 2.400 2.231 2.212 2.253 . 0 0 "[ . 1 . 2]" 1
351 1 34 GLN HA 1 47 THR H 0.000 . 4.040 4.077 4.052 4.104 0.064 19 0 "[ . 1 . 2]" 1
352 1 34 GLN HA 1 49 PRO QD 0.000 . 4.490 2.271 1.956 2.461 . 0 0 "[ . 1 . 2]" 1
353 1 34 GLN QB 1 34 GLN QG 0.000 . 2.450 2.069 2.050 2.083 . 0 0 "[ . 1 . 2]" 1
354 1 34 GLN QB 1 35 LYS H 0.000 . 4.390 2.892 2.790 3.032 . 0 0 "[ . 1 . 2]" 1
355 1 34 GLN QB 1 46 CYS QB 0.000 . 5.120 1.903 1.839 2.035 . 0 0 "[ . 1 . 2]" 1
356 1 34 GLN QB 1 47 THR H 0.000 . 5.820 2.546 2.449 2.804 . 0 0 "[ . 1 . 2]" 1
357 1 34 GLN QB 1 48 THR HA 0.000 . 5.480 4.405 4.134 4.752 . 0 0 "[ . 1 . 2]" 1
358 1 34 GLN QB 1 49 PRO QD 0.000 . 7.000 4.047 3.703 4.281 . 0 0 "[ . 1 . 2]" 1
359 1 34 GLN HB2 1 34 GLN HE22 0.000 . 5.500 4.016 3.741 4.876 . 0 0 "[ . 1 . 2]" 1
360 1 34 GLN HB2 1 46 CYS HB2 0.000 . 6.600 4.082 3.770 4.567 . 0 0 "[ . 1 . 2]" 1
361 1 34 GLN HB2 1 46 CYS HB3 0.000 . 6.600 2.543 2.121 3.102 . 0 0 "[ . 1 . 2]" 1
362 1 34 GLN HB3 1 34 GLN HE22 0.000 . 5.500 3.582 3.483 4.160 . 0 0 "[ . 1 . 2]" 1
363 1 34 GLN HB3 1 46 CYS HB2 0.000 . 6.600 3.673 3.496 3.876 . 0 0 "[ . 1 . 2]" 1
364 1 34 GLN HB3 1 46 CYS HB3 0.000 . 6.600 1.995 1.893 2.161 . 0 0 "[ . 1 . 2]" 1
365 1 34 GLN QE 1 35 LYS H 0.000 . 6.370 4.907 4.523 5.330 . 0 0 "[ . 1 . 2]" 1
366 1 34 GLN QG 1 35 LYS H 0.000 . 4.020 3.862 3.601 4.036 0.016 16 0 "[ . 1 . 2]" 1
367 1 34 GLN QG 1 46 CYS HA 0.000 . 6.380 5.347 5.080 5.539 . 0 0 "[ . 1 . 2]" 1
368 1 34 GLN QG 1 46 CYS QB 0.000 . 4.680 3.496 3.323 3.615 . 0 0 "[ . 1 . 2]" 1
369 1 34 GLN QG 1 47 THR H 0.000 . 4.630 4.279 4.049 4.412 . 0 0 "[ . 1 . 2]" 1
370 1 34 GLN HG2 1 46 CYS HB2 0.000 . 6.010 5.377 5.106 5.580 . 0 0 "[ . 1 . 2]" 1
371 1 34 GLN HG2 1 46 CYS HB3 0.000 . 6.010 4.047 3.757 4.292 . 0 0 "[ . 1 . 2]" 1
372 1 34 GLN HG2 1 47 THR H 0.000 . 5.500 4.485 4.203 4.644 . 0 0 "[ . 1 . 2]" 1
373 1 34 GLN HG3 1 46 CYS HB2 0.000 . 6.010 5.274 4.976 5.542 . 0 0 "[ . 1 . 2]" 1
374 1 34 GLN HG3 1 46 CYS HB3 0.000 . 6.010 4.043 3.754 4.221 . 0 0 "[ . 1 . 2]" 1
375 1 34 GLN HG3 1 47 THR H 0.000 . 5.500 5.412 5.195 5.514 0.014 12 0 "[ . 1 . 2]" 1
376 1 35 LYS H 1 35 LYS HA 0.000 . 2.870 2.892 2.890 2.899 0.029 17 0 "[ . 1 . 2]" 1
377 1 35 LYS H 1 35 LYS HB2 0.000 . 3.270 2.123 2.118 2.137 . 0 0 "[ . 1 . 2]" 1
378 1 35 LYS H 1 35 LYS QB 0.000 . 2.840 2.101 2.096 2.115 . 0 0 "[ . 1 . 2]" 1
379 1 35 LYS H 1 35 LYS HB3 0.000 . 3.270 3.364 3.351 3.378 0.108 19 0 "[ . 1 . 2]" 1
380 1 35 LYS H 1 35 LYS QD 0.000 . 5.200 2.703 2.560 2.853 . 0 0 "[ . 1 . 2]" 1
381 1 35 LYS H 1 35 LYS HE2 0.000 . 5.500 5.234 4.708 5.545 0.045 6 0 "[ . 1 . 2]" 1
382 1 35 LYS H 1 35 LYS HE3 0.000 . 5.500 5.475 4.688 5.542 0.042 17 0 "[ . 1 . 2]" 1
383 1 35 LYS H 1 35 LYS QG 0.000 . 4.610 3.792 3.738 3.824 . 0 0 "[ . 1 . 2]" 1
384 1 35 LYS H 1 36 CYS H 0.000 . 4.500 4.536 4.511 4.556 0.056 8 0 "[ . 1 . 2]" 1
385 1 35 LYS H 1 46 CYS HA 0.000 . 4.570 4.498 4.264 4.579 0.009 20 0 "[ . 1 . 2]" 1
386 1 35 LYS H 1 47 THR H 0.000 . 3.140 2.887 2.733 2.983 . 0 0 "[ . 1 . 2]" 1
387 1 35 LYS H 1 47 THR HA 0.000 . 5.000 4.904 4.714 5.022 0.022 17 0 "[ . 1 . 2]" 1
388 1 35 LYS H 1 47 THR O 2.200 . 2.200 2.194 2.014 2.224 0.024 17 0 "[ . 1 . 2]" 1
389 1 35 LYS H 1 49 PRO HD2 0.000 . 5.000 4.929 4.387 5.013 0.013 10 0 "[ . 1 . 2]" 1
390 1 35 LYS H 1 49 PRO QD 0.000 . 4.230 3.278 2.660 3.454 . 0 0 "[ . 1 . 2]" 1
391 1 35 LYS H 1 49 PRO HD3 0.000 . 5.000 3.329 2.683 3.520 . 0 0 "[ . 1 . 2]" 1
392 1 35 LYS HA 1 35 LYS HB2 0.000 . 2.990 2.939 2.931 2.947 . 0 0 "[ . 1 . 2]" 1
393 1 35 LYS HA 1 35 LYS HB3 0.000 . 2.990 2.732 2.717 2.747 . 0 0 "[ . 1 . 2]" 1
394 1 35 LYS HA 1 35 LYS QD 0.000 . 4.020 2.423 2.151 2.877 . 0 0 "[ . 1 . 2]" 1
395 1 35 LYS HA 1 35 LYS QE 0.000 . 4.390 4.008 3.105 4.293 . 0 0 "[ . 1 . 2]" 1
396 1 35 LYS HA 1 35 LYS QG 0.000 . 3.500 2.353 2.189 2.452 . 0 0 "[ . 1 . 2]" 1
397 1 35 LYS HA 1 36 CYS H 0.000 . 2.740 2.423 2.269 2.559 . 0 0 "[ . 1 . 2]" 1
398 1 35 LYS HA 1 47 THR H 0.000 . 5.310 4.548 4.434 4.607 . 0 0 "[ . 1 . 2]" 1
399 1 35 LYS QB 1 35 LYS QE 0.000 . 4.020 3.500 3.201 3.618 . 0 0 "[ . 1 . 2]" 1
400 1 35 LYS QB 1 35 LYS QG 0.000 . 2.430 2.000 1.987 2.018 . 0 0 "[ . 1 . 2]" 1
401 1 35 LYS QB 1 36 CYS H 0.000 . 4.140 2.575 2.275 2.967 . 0 0 "[ . 1 . 2]" 1
402 1 35 LYS QB 1 49 PRO QD 0.000 . 6.420 4.232 3.731 4.456 . 0 0 "[ . 1 . 2]" 1
403 1 35 LYS HB2 1 35 LYS HE2 0.000 . 5.300 4.015 3.456 4.579 . 0 0 "[ . 1 . 2]" 1
404 1 35 LYS HB2 1 35 LYS HE3 0.000 . 5.300 4.570 4.262 4.769 . 0 0 "[ . 1 . 2]" 1
405 1 35 LYS HB3 1 35 LYS HE2 0.000 . 5.300 4.617 4.326 4.928 . 0 0 "[ . 1 . 2]" 1
406 1 35 LYS HB3 1 35 LYS HE3 0.000 . 5.300 4.858 4.553 5.301 0.001 9 0 "[ . 1 . 2]" 1
407 1 35 LYS QD 1 36 CYS H 0.000 . 6.250 4.314 4.119 4.761 . 0 0 "[ . 1 . 2]" 1
408 1 35 LYS QE 1 35 LYS QG 0.000 . 2.940 2.099 1.991 2.139 . 0 0 "[ . 1 . 2]" 1
409 1 35 LYS HE2 1 35 LYS HG2 0.000 . 3.360 2.395 2.067 2.993 . 0 0 "[ . 1 . 2]" 1
410 1 35 LYS HE2 1 35 LYS HG3 0.000 . 3.360 3.190 2.767 3.378 0.018 15 0 "[ . 1 . 2]" 1
411 1 35 LYS HE3 1 35 LYS HG2 0.000 . 3.360 2.941 2.739 3.370 0.010 9 0 "[ . 1 . 2]" 1
412 1 35 LYS HE3 1 35 LYS HG3 0.000 . 3.360 2.743 2.211 3.381 0.021 9 0 "[ . 1 . 2]" 1
413 1 35 LYS QG 1 36 CYS H 0.000 . 4.110 3.102 2.943 3.289 . 0 0 "[ . 1 . 2]" 1
414 1 35 LYS N 1 47 THR O 3.200 2.900 3.200 3.022 2.895 3.092 0.005 12 0 "[ . 1 . 2]" 1
415 1 35 LYS O 1 47 THR H 2.200 . 2.200 1.996 1.972 2.035 0.028 8 0 "[ . 1 . 2]" 1
416 1 35 LYS O 1 47 THR N 3.200 2.900 3.200 2.862 2.827 2.896 0.073 17 0 "[ . 1 . 2]" 1
417 1 36 CYS H 1 36 CYS HA 0.000 . 2.930 2.938 2.929 2.946 0.016 15 0 "[ . 1 . 2]" 1
418 1 36 CYS H 1 36 CYS QB 0.000 . 3.430 2.434 2.241 2.542 . 0 0 "[ . 1 . 2]" 1
419 1 36 CYS HA 1 36 CYS QB 0.000 . 2.660 2.418 2.396 2.543 . 0 0 "[ . 1 . 2]" 1
420 1 36 CYS HA 1 45 THR H 0.000 . 5.000 4.480 3.946 4.917 . 0 0 "[ . 1 . 2]" 1
421 1 36 CYS HA 1 46 CYS HA 0.000 . 4.000 2.697 2.527 3.055 . 0 0 "[ . 1 . 2]" 1
422 1 36 CYS HA 1 47 THR H 0.000 . 3.800 3.840 3.807 3.867 0.067 6 0 "[ . 1 . 2]" 1
423 1 37 CYS H 1 37 CYS HB2 0.000 . 3.080 2.751 2.594 2.953 . 0 0 "[ . 1 . 2]" 1
424 1 37 CYS H 1 37 CYS QB 0.000 . 2.810 2.555 2.369 2.643 . 0 0 "[ . 1 . 2]" 1
425 1 37 CYS H 1 37 CYS HB3 0.000 . 3.080 3.062 2.494 3.113 0.033 9 0 "[ . 1 . 2]" 1
426 1 37 CYS H 1 45 THR O 2.200 . 2.200 2.214 2.188 2.230 0.030 15 0 "[ . 1 . 2]" 1
427 1 37 CYS H 1 46 CYS HA 0.000 . 4.970 3.636 3.341 4.264 . 0 0 "[ . 1 . 2]" 1
428 1 37 CYS HA 1 37 CYS HB2 0.000 . 2.990 2.695 2.417 2.747 . 0 0 "[ . 1 . 2]" 1
429 1 37 CYS HA 1 37 CYS HB3 0.000 . 2.990 2.958 2.934 3.017 0.027 17 0 "[ . 1 . 2]" 1
430 1 37 CYS HA 1 38 LYS H 0.000 . 2.620 2.623 2.342 2.647 0.027 18 0 "[ . 1 . 2]" 1
431 1 37 CYS HA 1 44 MET ME 0.000 . 4.640 3.677 2.034 4.438 . 0 0 "[ . 1 . 2]" 1
432 1 37 CYS HA 1 47 THR MG 0.000 . 6.530 4.797 4.137 6.036 . 0 0 "[ . 1 . 2]" 1
433 1 37 CYS QB 1 38 LYS H 0.000 . 3.390 2.550 2.418 3.313 . 0 0 "[ . 1 . 2]" 1
434 1 37 CYS QB 1 47 THR H 0.000 . 5.760 4.842 4.669 5.002 . 0 0 "[ . 1 . 2]" 1
435 1 37 CYS QB 1 47 THR MG 0.000 . 4.170 2.496 1.927 3.452 . 0 0 "[ . 1 . 2]" 1
436 1 37 CYS HB2 1 38 LYS H 0.000 . 3.670 3.698 3.681 3.761 0.091 17 0 "[ . 1 . 2]" 1
437 1 37 CYS HB2 1 47 THR MG 0.000 . 4.360 2.783 1.968 4.367 0.007 13 0 "[ . 1 . 2]" 1
438 1 37 CYS HB3 1 38 LYS H 0.000 . 3.670 2.610 2.452 3.681 0.011 17 0 "[ . 1 . 2]" 1
439 1 37 CYS HB3 1 47 THR MG 0.000 . 4.360 3.015 2.073 3.739 . 0 0 "[ . 1 . 2]" 1
440 1 37 CYS N 1 45 THR O 3.200 2.900 3.200 3.017 2.879 3.156 0.021 13 0 "[ . 1 . 2]" 1
441 1 37 CYS O 1 45 THR H 2.200 . 2.200 2.158 1.995 2.217 0.017 9 0 "[ . 1 . 2]" 1
442 1 37 CYS O 1 45 THR N 3.200 2.900 3.200 3.027 2.896 3.161 0.004 6 0 "[ . 1 . 2]" 1
443 1 38 LYS H 1 38 LYS HB2 0.000 . 3.210 2.660 2.221 3.253 0.043 16 0 "[ . 1 . 2]" 1
444 1 38 LYS H 1 38 LYS QB 0.000 . 2.810 2.398 2.183 2.924 0.114 16 0 "[ . 1 . 2]" 1
445 1 38 LYS H 1 38 LYS HB3 0.000 . 3.210 2.832 2.483 3.313 0.103 16 0 "[ . 1 . 2]" 1
446 1 38 LYS H 1 39 ASN H 0.000 . 4.260 3.725 2.420 4.333 0.073 16 0 "[ . 1 . 2]" 1
447 1 38 LYS H 1 44 MET ME 0.000 . 5.470 4.690 3.183 5.448 . 0 0 "[ . 1 . 2]" 1
448 1 38 LYS HA 1 39 ASN H 0.000 . 3.300 2.594 2.140 3.363 0.063 5 0 "[ . 1 . 2]" 1
449 1 38 LYS HA 1 44 MET HA 0.000 . 4.000 3.385 2.918 4.015 0.015 13 0 "[ . 1 . 2]" 1
450 1 38 LYS HA 1 45 THR H 0.000 . 5.000 3.427 3.120 3.956 . 0 0 "[ . 1 . 2]" 1
451 1 38 LYS QB 1 39 ASN H 0.000 . 5.410 3.419 1.838 4.036 . 0 0 "[ . 1 . 2]" 1
452 1 38 LYS HG2 1 39 ASN H 0.000 . 5.500 4.040 2.093 5.350 . 0 0 "[ . 1 . 2]" 1
453 1 38 LYS HG3 1 39 ASN H 0.000 . 5.500 4.161 2.467 5.168 . 0 0 "[ . 1 . 2]" 1
454 1 41 CYS H 1 41 CYS HB2 0.000 . 3.450 3.009 2.158 3.549 0.099 6 0 "[ . 1 . 2]" 1
455 1 41 CYS H 1 41 CYS HB3 0.000 . 3.450 2.899 2.366 3.480 0.030 9 0 "[ . 1 . 2]" 1
456 1 43 PHE QE 1 45 THR MG 0.000 . 6.530 5.395 1.907 6.387 . 0 0 "[ . 1 . 2]" 1
457 1 44 MET H 1 44 MET QB 0.000 . 3.500 2.438 2.232 2.728 . 0 0 "[ . 1 . 2]" 1
458 1 44 MET H 1 44 MET QG 0.000 . 4.520 3.491 2.874 4.151 . 0 0 "[ . 1 . 2]" 1
459 1 45 THR HB 1 46 CYS H 0.000 . 3.800 2.448 2.022 3.758 . 0 0 "[ . 1 . 2]" 1
460 1 45 THR MG 1 46 CYS H 0.000 . 5.440 3.436 1.949 3.817 . 0 0 "[ . 1 . 2]" 1
461 1 46 CYS H 1 46 CYS HB2 0.000 . 3.670 2.440 2.339 2.566 . 0 0 "[ . 1 . 2]" 1
462 1 46 CYS H 1 46 CYS QB 0.000 . 3.470 2.403 2.311 2.515 . 0 0 "[ . 1 . 2]" 1
463 1 46 CYS H 1 46 CYS HB3 0.000 . 3.670 3.621 3.584 3.663 . 0 0 "[ . 1 . 2]" 1
464 1 46 CYS H 1 47 THR H 0.000 . 4.510 4.546 4.522 4.567 0.057 13 0 "[ . 1 . 2]" 1
465 1 46 CYS HA 1 47 THR H 0.000 . 2.650 2.193 2.119 2.232 . 0 0 "[ . 1 . 2]" 1
466 1 46 CYS HA 1 47 THR MG 0.000 . 6.530 4.044 3.655 5.197 . 0 0 "[ . 1 . 2]" 1
467 1 46 CYS QB 1 47 THR H 0.000 . 3.650 2.830 2.724 2.978 . 0 0 "[ . 1 . 2]" 1
468 1 46 CYS HB2 1 47 THR H 0.000 . 3.950 3.990 3.968 4.031 0.081 17 0 "[ . 1 . 2]" 1
469 1 46 CYS HB3 1 47 THR H 0.000 . 3.950 2.896 2.774 3.068 . 0 0 "[ . 1 . 2]" 1
470 1 47 THR H 1 47 THR HB 0.000 . 3.210 3.207 3.115 3.233 0.023 12 0 "[ . 1 . 2]" 1
471 1 47 THR H 1 47 THR MG 0.000 . 4.450 2.664 2.209 3.981 . 0 0 "[ . 1 . 2]" 1
472 1 47 THR HA 1 47 THR HB 0.000 . 3.020 2.572 2.461 2.971 . 0 0 "[ . 1 . 2]" 1
473 1 48 THR H 1 48 THR HB 0.000 . 2.560 2.538 2.484 2.566 0.006 7 0 "[ . 1 . 2]" 1
474 1 48 THR HA 1 48 THR HB 0.000 . 2.960 3.012 3.010 3.015 0.055 4 0 "[ . 1 . 2]" 1
475 1 48 THR HA 1 49 PRO HD2 0.000 . 2.830 2.242 2.018 2.471 . 0 0 "[ . 1 . 2]" 1
476 1 48 THR HA 1 49 PRO HD3 0.000 . 2.830 2.280 2.007 2.461 . 0 0 "[ . 1 . 2]" 1
477 1 48 THR MG 1 49 PRO HD2 0.000 . 4.850 2.022 1.865 2.544 . 0 0 "[ . 1 . 2]" 1
478 1 48 THR MG 1 49 PRO QD 0.000 . 4.410 2.004 1.854 2.491 . 0 0 "[ . 1 . 2]" 1
479 1 48 THR MG 1 49 PRO HD3 0.000 . 4.850 3.328 3.206 3.553 . 0 0 "[ . 1 . 2]" 1
480 1 50 VAL H 1 50 VAL HB 0.000 . 2.930 2.883 2.668 2.940 0.010 10 0 "[ . 1 . 2]" 1
481 1 50 VAL H 1 50 VAL QG 0.000 . 4.120 2.157 1.947 2.899 . 0 0 "[ . 1 . 2]" 1
482 1 50 VAL HA 1 50 VAL HB 0.000 . 2.830 2.593 2.432 2.990 0.160 9 0 "[ . 1 . 2]" 1
483 1 50 VAL HA 1 51 PRO HD2 0.000 . 2.900 2.325 1.995 2.629 . 0 0 "[ . 1 . 2]" 1
484 1 50 VAL HA 1 51 PRO QD 0.000 . 2.590 1.985 1.923 2.024 . 0 0 "[ . 1 . 2]" 1
485 1 50 VAL HA 1 51 PRO HD3 0.000 . 2.900 2.215 1.982 2.559 . 0 0 "[ . 1 . 2]" 1
486 1 50 VAL QG 1 51 PRO QD 0.000 . 5.190 1.985 1.809 2.729 . 0 0 "[ . 1 . 2]" 1
487 1 50 VAL MG1 1 51 PRO HD2 0.000 . 6.530 3.595 1.848 4.450 . 0 0 "[ . 1 . 2]" 1
488 1 50 VAL MG1 1 51 PRO HD3 0.000 . 6.530 4.322 2.848 4.721 . 0 0 "[ . 1 . 2]" 1
489 1 50 VAL MG2 1 51 PRO HD2 0.000 . 6.530 2.455 1.835 4.332 . 0 0 "[ . 1 . 2]" 1
490 1 50 VAL MG2 1 51 PRO HD3 0.000 . 6.530 3.425 2.826 4.583 . 0 0 "[ . 1 . 2]" 1
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