NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374972 |
1esk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1esk
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 413
_Distance_constraint_stats_list.Viol_count 975
_Distance_constraint_stats_list.Viol_total 536.963
_Distance_constraint_stats_list.Viol_max 0.913
_Distance_constraint_stats_list.Viol_rms 0.0432
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.0612
_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 1.272 0.262 5 0 "[ . ]"
1 2 VAL 0.002 0.002 5 0 "[ . ]"
1 3 LYS 4.945 0.373 9 0 "[ . ]"
1 4 CYS 2.537 0.112 4 0 "[ . ]"
1 5 PHE 1.303 0.088 1 0 "[ . ]"
1 6 ASN 4.064 0.133 3 0 "[ . ]"
1 7 CYS 0.800 0.096 8 0 "[ . ]"
1 8 GLY 2.128 0.213 2 0 "[ . ]"
1 9 LYS 5.306 0.397 4 0 "[ . ]"
1 10 GLU 6.437 0.397 4 0 "[ . ]"
1 11 GLY 1.071 0.120 5 0 "[ . ]"
1 12 HIS 5.899 0.212 9 0 "[ . ]"
1 13 THR 2.006 0.134 7 0 "[ . ]"
1 14 ALA 0.397 0.057 1 0 "[ . ]"
1 15 ARG 0.518 0.097 3 0 "[ . ]"
1 16 ASN 0.660 0.097 3 0 "[ . ]"
1 17 CYS 4.082 0.182 3 0 "[ . ]"
1 18 ARG 1.885 0.124 9 0 "[ . ]"
1 19 ALA 3.027 0.119 2 0 "[ . ]"
1 20 PRO 1.148 0.104 1 0 "[ . ]"
1 21 ARG 2.589 0.136 8 0 "[ . ]"
1 22 LYS 2.481 0.136 8 0 "[ . ]"
1 23 LYS 3.925 0.330 2 0 "[ . ]"
1 24 GLY 4.020 0.330 2 0 "[ . ]"
1 25 CYS 5.128 0.391 8 0 "[ . ]"
1 26 TRP 2.039 0.141 1 0 "[ . ]"
1 27 LYS 2.220 0.161 8 0 "[ . ]"
1 28 CYS 5.031 0.391 8 0 "[ . ]"
1 29 GLY 1.381 0.117 9 0 "[ . ]"
1 30 LYS 3.137 0.913 9 1 "[ . +]"
1 31 GLU 2.147 0.166 4 0 "[ . ]"
1 32 GLY 0.638 0.083 9 0 "[ . ]"
1 33 HIS 5.508 0.913 9 1 "[ . +]"
1 34 GLN 5.183 0.287 9 0 "[ . ]"
1 35 MET 3.084 0.141 1 0 "[ . ]"
1 36 LYS 3.095 0.287 9 0 "[ . ]"
1 37 ASP 0.878 0.091 1 0 "[ . ]"
1 38 CYS 2.923 0.205 8 0 "[ . ]"
1 39 THR 0.488 0.069 6 0 "[ . ]"
1 40 GLU 2.089 0.238 8 0 "[ . ]"
1 41 ARG 1.357 0.204 7 0 "[ . ]"
1 42 GLN 0.932 0.117 3 0 "[ . ]"
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 1 ASN HD21 3.000 . 4.500 3.568 2.401 4.242 . 0 0 "[ . ]" 1
2 1 1 ASN HA 1 1 ASN HD22 3.000 . 4.500 4.481 3.739 4.762 0.262 5 0 "[ . ]" 1
3 1 2 VAL H 1 2 VAL HA 3.000 . 3.000 2.832 2.722 2.944 . 0 0 "[ . ]" 1
4 1 2 VAL HB 1 3 LYS H 3.000 . 4.000 3.916 3.857 4.002 0.002 5 0 "[ . ]" 1
5 1 2 VAL HB 1 13 THR MG 3.000 . 6.000 4.380 4.231 4.917 . 0 0 "[ . ]" 1
6 1 2 VAL QG 1 3 LYS H 3.000 . 4.500 2.539 2.467 2.585 . 0 0 "[ . ]" 1
7 1 2 VAL QG 1 11 GLY H 3.000 . 4.500 2.518 2.368 3.168 . 0 0 "[ . ]" 1
8 1 2 VAL QG 1 11 GLY HA2 3.000 . 5.500 2.280 2.178 2.833 . 0 0 "[ . ]" 1
9 1 2 VAL QG 1 11 GLY HA3 3.000 . 5.500 3.609 3.517 4.008 . 0 0 "[ . ]" 1
10 1 2 VAL QG 1 12 HIS H 3.000 . 4.500 2.362 2.284 2.511 . 0 0 "[ . ]" 1
11 1 2 VAL QG 1 13 THR H 3.000 . 4.500 3.837 3.773 3.860 . 0 0 "[ . ]" 1
12 1 2 VAL QG 1 13 THR HA 3.000 . 4.500 3.645 3.564 3.696 . 0 0 "[ . ]" 1
13 1 2 VAL QG 1 13 THR MG 3.000 . 6.500 2.416 2.311 2.491 . 0 0 "[ . ]" 1
14 1 3 LYS H 1 3 LYS HG2 3.000 . 4.500 3.839 3.076 4.181 . 0 0 "[ . ]" 1
15 1 3 LYS H 1 3 LYS HG3 3.000 . 4.500 4.545 4.522 4.616 0.116 4 0 "[ . ]" 1
16 1 3 LYS HA 1 10 GLU HB2 3.000 . 5.000 4.975 4.636 5.041 0.041 7 0 "[ . ]" 1
17 1 3 LYS HA 1 10 GLU HB3 3.000 . 4.500 4.124 3.484 4.308 . 0 0 "[ . ]" 1
18 1 3 LYS HA 1 10 GLU HG2 3.000 . 4.500 3.823 3.532 4.144 . 0 0 "[ . ]" 1
19 1 3 LYS HA 1 10 GLU HG3 3.000 . 4.500 4.541 4.508 4.599 0.099 5 0 "[ . ]" 1
20 1 3 LYS HA 1 12 HIS H 3.000 . 4.500 2.753 2.693 2.855 . 0 0 "[ . ]" 1
21 1 3 LYS HB2 1 4 CYS H 3.000 . 3.500 2.148 2.066 2.253 . 0 0 "[ . ]" 1
22 1 3 LYS HB2 1 8 GLY HA2 3.000 . 4.500 2.989 2.598 3.182 . 0 0 "[ . ]" 1
23 1 3 LYS HB2 1 8 GLY HA3 3.000 . 4.500 4.127 3.230 4.569 0.069 8 0 "[ . ]" 1
24 1 3 LYS HB2 1 10 GLU HA 3.000 . 4.500 2.357 2.243 2.486 . 0 0 "[ . ]" 1
25 1 3 LYS HB2 1 10 GLU HB2 3.000 . 5.000 4.787 4.545 5.016 0.016 2 0 "[ . ]" 1
26 1 3 LYS HB2 1 10 GLU HB3 3.000 . 4.500 4.457 3.753 4.593 0.093 1 0 "[ . ]" 1
27 1 3 LYS HB3 1 4 CYS H 3.000 . 3.500 3.549 3.521 3.586 0.086 6 0 "[ . ]" 1
28 1 3 LYS HB3 1 8 GLY HA2 3.000 . 4.500 4.547 4.209 4.713 0.213 2 0 "[ . ]" 1
29 1 3 LYS HB3 1 10 GLU HA 3.000 . 4.500 2.487 2.170 2.873 . 0 0 "[ . ]" 1
30 1 3 LYS HB3 1 10 GLU HB2 3.000 . 4.500 4.578 4.374 4.873 0.373 9 0 "[ . ]" 1
31 1 3 LYS HB3 1 10 GLU HB3 3.000 . 4.500 3.780 3.225 4.240 . 0 0 "[ . ]" 1
32 1 3 LYS HG2 1 4 CYS H 3.000 . 4.500 2.824 2.565 3.280 . 0 0 "[ . ]" 1
33 1 3 LYS HG2 1 8 GLY HA2 3.000 . 4.500 3.009 2.438 3.629 . 0 0 "[ . ]" 1
34 1 3 LYS HG2 1 8 GLY HA3 3.000 . 4.500 3.807 2.533 4.580 0.080 7 0 "[ . ]" 1
35 1 3 LYS HG2 1 10 GLU HA 3.000 . 4.500 4.600 4.521 4.656 0.156 7 0 "[ . ]" 1
36 1 3 LYS HG3 1 4 CYS H 3.000 . 4.500 3.779 2.948 3.955 . 0 0 "[ . ]" 1
37 1 3 LYS HG3 1 8 GLY HA2 3.000 . 4.500 3.579 2.430 4.041 . 0 0 "[ . ]" 1
38 1 3 LYS HG3 1 8 GLY HA3 3.000 . 4.500 3.955 3.102 4.530 0.030 5 0 "[ . ]" 1
39 1 3 LYS HG3 1 10 GLU HA 3.000 . 4.500 4.480 4.375 4.547 0.047 9 0 "[ . ]" 1
40 1 4 CYS H 1 5 PHE H 3.000 . 4.500 4.535 4.512 4.561 0.061 6 0 "[ . ]" 1
41 1 4 CYS H 1 10 GLU HA 3.000 . 3.500 3.399 2.799 3.541 0.041 6 0 "[ . ]" 1
42 1 4 CYS HA 1 5 PHE QD 3.000 . 4.500 3.627 3.017 4.138 . 0 0 "[ . ]" 1
43 1 4 CYS HA 1 6 ASN H 3.000 . 4.500 4.101 3.877 4.471 . 0 0 "[ . ]" 1
44 1 4 CYS HA 1 13 THR HA 3.000 . 3.500 2.192 2.133 2.272 . 0 0 "[ . ]" 1
45 1 4 CYS HA 1 14 ALA H 3.000 . 3.500 2.849 2.696 3.096 . 0 0 "[ . ]" 1
46 1 4 CYS HB2 1 5 PHE H 3.000 . 4.500 3.963 3.727 4.308 . 0 0 "[ . ]" 1
47 1 4 CYS HB2 1 6 ASN H 3.000 . 5.380 5.058 4.898 5.228 . 0 0 "[ . ]" 1
48 1 4 CYS HB2 1 7 CYS H 3.000 . 4.500 4.427 4.190 4.517 0.017 1 0 "[ . ]" 1
49 1 4 CYS HB2 1 8 GLY H 3.000 . 4.500 3.863 3.558 4.499 . 0 0 "[ . ]" 1
50 1 4 CYS HB2 1 9 LYS H 3.000 . 3.500 3.554 3.483 3.612 0.112 4 0 "[ . ]" 1
51 1 4 CYS HB2 1 12 HIS HD1 3.000 . 4.500 4.317 4.118 4.504 0.004 2 0 "[ . ]" 1
52 1 4 CYS HB2 1 13 THR HA 3.000 . 4.500 3.187 3.120 3.247 . 0 0 "[ . ]" 1
53 1 4 CYS HB3 1 5 PHE H 3.000 . 4.500 4.013 3.718 4.274 . 0 0 "[ . ]" 1
54 1 4 CYS HB3 1 6 ASN H 3.000 . 5.380 4.820 4.638 5.127 . 0 0 "[ . ]" 1
55 1 4 CYS HB3 1 7 CYS H 3.000 . 4.500 3.461 3.013 3.646 . 0 0 "[ . ]" 1
56 1 4 CYS HB3 1 8 GLY H 3.000 . 4.500 2.346 1.999 3.135 0.001 5 0 "[ . ]" 1
57 1 4 CYS HB3 1 9 LYS H 3.000 . 3.500 2.163 2.007 2.528 . 0 0 "[ . ]" 1
58 1 4 CYS HB3 1 12 HIS HD1 3.000 . 5.000 4.908 4.593 5.080 0.080 5 0 "[ . ]" 1
59 1 4 CYS HB3 1 13 THR HA 3.000 . 4.500 4.583 4.569 4.595 0.095 8 0 "[ . ]" 1
60 1 5 PHE H 1 6 ASN H 3.000 . 3.500 2.102 1.942 2.356 0.058 2 0 "[ . ]" 1
61 1 5 PHE H 1 7 CYS H 3.000 . 4.500 3.869 3.153 4.552 0.052 3 0 "[ . ]" 1
62 1 5 PHE H 1 14 ALA H 3.000 . 4.500 2.869 2.590 3.188 . 0 0 "[ . ]" 1
63 1 5 PHE H 1 14 ALA MB 3.000 . 4.500 2.292 2.155 2.509 . 0 0 "[ . ]" 1
64 1 5 PHE HA 1 5 PHE QD 3.000 . 4.500 2.730 2.373 3.028 . 0 0 "[ . ]" 1
65 1 5 PHE HA 1 6 ASN H 3.000 . 3.500 3.472 3.446 3.503 0.003 7 0 "[ . ]" 1
66 1 5 PHE HA 1 26 TRP HZ2 3.000 . 6.000 6.031 6.004 6.067 0.067 3 0 "[ . ]" 1
67 1 5 PHE HB2 1 6 ASN H 3.000 . 3.500 2.463 2.210 2.631 . 0 0 "[ . ]" 1
68 1 5 PHE HB2 1 14 ALA MB 3.000 . 5.500 2.223 2.123 2.335 . 0 0 "[ . ]" 1
69 1 5 PHE HB2 1 26 TRP HE3 3.000 . 4.500 4.380 4.086 4.515 0.015 4 0 "[ . ]" 1
70 1 5 PHE HB3 1 6 ASN H 3.000 . 3.500 3.553 3.531 3.588 0.088 1 0 "[ . ]" 1
71 1 5 PHE HB3 1 14 ALA MB 3.000 . 5.500 3.734 3.594 3.871 . 0 0 "[ . ]" 1
72 1 5 PHE HB3 1 26 TRP HE3 3.000 . 4.500 3.279 2.956 3.691 . 0 0 "[ . ]" 1
73 1 5 PHE QD 1 6 ASN H 3.000 . 6.500 3.899 3.750 3.983 . 0 0 "[ . ]" 1
74 1 5 PHE QD 1 14 ALA MB 3.000 . 6.500 2.484 2.214 2.949 . 0 0 "[ . ]" 1
75 1 6 ASN H 1 7 CYS H 3.000 . 3.500 2.984 2.743 3.250 . 0 0 "[ . ]" 1
76 1 6 ASN H 1 8 GLY H 3.000 . 4.000 4.052 4.020 4.077 0.077 5 0 "[ . ]" 1
77 1 6 ASN H 1 14 ALA MB 3.000 . 4.500 2.051 1.943 2.243 0.057 1 0 "[ . ]" 1
78 1 6 ASN HB2 1 7 CYS H 3.000 . 4.500 3.849 3.530 4.016 . 0 0 "[ . ]" 1
79 1 6 ASN HB2 1 14 ALA MB 3.000 . 4.500 2.394 2.287 2.513 . 0 0 "[ . ]" 1
80 1 6 ASN HB2 1 17 CYS HB2 3.000 . 4.500 4.587 4.549 4.633 0.133 3 0 "[ . ]" 1
81 1 6 ASN HB2 1 17 CYS HB3 3.000 . 4.500 3.789 3.544 4.114 . 0 0 "[ . ]" 1
82 1 6 ASN HB3 1 7 CYS H 3.000 . 4.500 2.496 2.053 2.699 . 0 0 "[ . ]" 1
83 1 6 ASN HB3 1 14 ALA MB 3.000 . 4.500 2.946 2.800 3.155 . 0 0 "[ . ]" 1
84 1 6 ASN HB3 1 17 CYS HB2 3.000 . 4.500 3.362 3.267 3.536 . 0 0 "[ . ]" 1
85 1 6 ASN HB3 1 17 CYS HB3 3.000 . 4.500 3.071 2.863 3.398 . 0 0 "[ . ]" 1
86 1 6 ASN HD21 1 7 CYS H 3.000 . 4.500 3.288 2.802 4.448 . 0 0 "[ . ]" 1
87 1 6 ASN HD21 1 17 CYS HB2 3.000 . 4.500 4.087 3.431 4.305 . 0 0 "[ . ]" 1
88 1 6 ASN HD21 1 17 CYS HB3 3.000 . 4.500 3.400 2.158 4.191 . 0 0 "[ . ]" 1
89 1 6 ASN HD21 1 19 ALA H 3.000 . 4.500 3.907 3.221 4.374 . 0 0 "[ . ]" 1
90 1 6 ASN HD21 1 19 ALA MB 3.000 . 4.500 3.249 3.023 3.513 . 0 0 "[ . ]" 1
91 1 6 ASN HD21 1 21 ARG HA 3.000 . 3.500 3.573 3.552 3.592 0.092 8 0 "[ . ]" 1
92 1 6 ASN HD22 1 7 CYS H 3.000 . 4.500 4.476 4.160 4.528 0.028 2 0 "[ . ]" 1
93 1 6 ASN HD22 1 17 CYS HB2 3.000 . 4.500 4.613 4.581 4.631 0.131 9 0 "[ . ]" 1
94 1 6 ASN HD22 1 17 CYS HB3 3.000 . 4.500 3.643 3.297 4.023 . 0 0 "[ . ]" 1
95 1 6 ASN HD22 1 19 ALA H 3.000 . 4.500 2.856 2.433 3.252 . 0 0 "[ . ]" 1
96 1 6 ASN HD22 1 19 ALA MB 3.000 . 4.500 2.629 2.122 3.107 . 0 0 "[ . ]" 1
97 1 6 ASN HD22 1 21 ARG HA 3.000 . 3.500 3.505 3.381 3.574 0.074 1 0 "[ . ]" 1
98 1 7 CYS H 1 9 LYS H 3.000 . 4.500 4.469 4.244 4.535 0.035 9 0 "[ . ]" 1
99 1 7 CYS HA 1 19 ALA MB 3.000 . 5.500 4.569 4.515 4.641 . 0 0 "[ . ]" 1
100 1 7 CYS HA 1 22 LYS HB2 3.000 . 4.500 4.484 4.276 4.572 0.072 3 0 "[ . ]" 1
101 1 7 CYS HA 1 22 LYS HB3 3.000 . 4.500 3.497 2.968 4.596 0.096 8 0 "[ . ]" 1
102 1 7 CYS HB2 1 8 GLY H 3.000 . 4.500 4.199 4.018 4.502 0.002 6 0 "[ . ]" 1
103 1 7 CYS HB2 1 19 ALA MB 3.000 . 5.500 3.451 3.030 3.989 . 0 0 "[ . ]" 1
104 1 7 CYS HB3 1 8 GLY H 3.000 . 4.500 4.195 4.047 4.459 . 0 0 "[ . ]" 1
105 1 7 CYS HB3 1 19 ALA MB 3.000 . 5.500 2.570 2.403 2.848 . 0 0 "[ . ]" 1
106 1 8 GLY H 1 9 LYS H 3.000 . 3.500 2.930 2.700 3.456 . 0 0 "[ . ]" 1
107 1 8 GLY HA2 1 9 LYS H 3.000 . 3.500 2.491 2.335 2.650 . 0 0 "[ . ]" 1
108 1 8 GLY HA3 1 9 LYS H 3.000 . 3.500 3.542 3.513 3.567 0.067 7 0 "[ . ]" 1
109 1 9 LYS H 1 9 LYS HG2 3.000 . 3.500 3.560 3.483 3.627 0.127 4 0 "[ . ]" 1
110 1 9 LYS H 1 9 LYS HG3 3.000 . 3.500 2.822 2.420 3.510 0.010 9 0 "[ . ]" 1
111 1 9 LYS H 1 10 GLU H 3.000 . 4.500 3.609 1.984 4.371 0.016 5 0 "[ . ]" 1
112 1 9 LYS HB2 1 10 GLU H 3.000 . 3.500 3.454 2.918 3.588 0.088 1 0 "[ . ]" 1
113 1 9 LYS HB2 1 12 HIS HE1 3.000 . 3.500 2.004 1.957 2.092 0.043 6 0 "[ . ]" 1
114 1 9 LYS HB3 1 10 GLU H 3.000 . 3.500 3.072 2.600 3.897 0.397 4 0 "[ . ]" 1
115 1 9 LYS HB3 1 12 HIS HE1 3.000 . 3.500 3.481 2.764 3.640 0.140 7 0 "[ . ]" 1
116 1 9 LYS HD2 1 12 HIS HE1 3.000 . 4.500 4.278 3.182 4.587 0.087 9 0 "[ . ]" 1
117 1 9 LYS HD3 1 12 HIS HE1 3.000 . 4.500 3.571 2.782 4.527 0.027 6 0 "[ . ]" 1
118 1 9 LYS HG2 1 10 GLU H 3.000 . 4.500 4.479 4.181 4.747 0.247 4 0 "[ . ]" 1
119 1 9 LYS HG2 1 12 HIS HE1 3.000 . 4.500 4.589 4.513 4.645 0.145 3 0 "[ . ]" 1
120 1 9 LYS HG3 1 10 GLU H 3.000 . 5.000 4.889 4.510 5.080 0.080 2 0 "[ . ]" 1
121 1 9 LYS HG3 1 12 HIS HE1 3.000 . 4.500 3.346 3.058 3.647 . 0 0 "[ . ]" 1
122 1 10 GLU H 1 10 GLU HG2 3.000 . 3.500 3.572 3.553 3.588 0.088 1 0 "[ . ]" 1
123 1 10 GLU H 1 10 GLU HG3 3.000 . 3.500 2.455 2.155 3.000 . 0 0 "[ . ]" 1
124 1 10 GLU H 1 11 GLY H 3.000 . 4.500 4.499 4.380 4.547 0.047 7 0 "[ . ]" 1
125 1 10 GLU HA 1 12 HIS H 3.000 . 4.500 3.260 3.203 3.324 . 0 0 "[ . ]" 1
126 1 10 GLU HB2 1 11 GLY H 3.000 . 3.500 3.463 3.180 3.553 0.053 4 0 "[ . ]" 1
127 1 10 GLU HB3 1 11 GLY H 3.000 . 3.500 2.233 2.122 2.303 . 0 0 "[ . ]" 1
128 1 10 GLU HG2 1 11 GLY H 3.000 . 4.500 3.777 3.571 4.038 . 0 0 "[ . ]" 1
129 1 10 GLU HG3 1 11 GLY H 3.000 . 4.500 4.581 4.555 4.620 0.120 5 0 "[ . ]" 1
130 1 11 GLY HA2 1 12 HIS H 3.000 . 3.500 3.169 3.129 3.197 . 0 0 "[ . ]" 1
131 1 11 GLY HA3 1 12 HIS H 3.000 . 3.500 3.436 3.415 3.471 . 0 0 "[ . ]" 1
132 1 12 HIS H 1 13 THR H 3.000 . 4.500 4.302 4.271 4.331 . 0 0 "[ . ]" 1
133 1 12 HIS HB2 1 12 HIS HD2 3.000 . 3.500 2.594 2.566 2.629 . 0 0 "[ . ]" 1
134 1 12 HIS HB2 1 13 THR H 3.000 . 3.500 2.183 2.128 2.228 . 0 0 "[ . ]" 1
135 1 12 HIS HB2 1 16 ASN HD21 3.000 . 4.500 2.239 2.034 2.545 . 0 0 "[ . ]" 1
136 1 12 HIS HB2 1 16 ASN HD22 3.000 . 4.500 3.885 3.640 4.237 . 0 0 "[ . ]" 1
137 1 12 HIS HB3 1 12 HIS HD2 3.000 . 3.500 3.692 3.677 3.712 0.212 9 0 "[ . ]" 1
138 1 12 HIS HB3 1 13 THR H 3.000 . 3.500 3.613 3.592 3.634 0.134 7 0 "[ . ]" 1
139 1 12 HIS HB3 1 16 ASN HD21 3.000 . 6.230 3.087 2.874 3.427 . 0 0 "[ . ]" 1
140 1 12 HIS HB3 1 16 ASN HD22 3.000 . 6.230 4.743 4.507 5.141 . 0 0 "[ . ]" 1
141 1 12 HIS HD2 1 13 THR H 3.000 . 4.500 3.326 3.152 3.443 . 0 0 "[ . ]" 1
142 1 12 HIS HD2 1 16 ASN HB2 3.000 . 4.500 2.773 2.638 2.995 . 0 0 "[ . ]" 1
143 1 12 HIS HD2 1 16 ASN HB3 3.000 . 4.500 4.021 3.889 4.217 . 0 0 "[ . ]" 1
144 1 12 HIS HD2 1 17 CYS H 3.000 . 4.500 2.714 2.531 2.862 . 0 0 "[ . ]" 1
145 1 12 HIS HD2 1 17 CYS HA 3.000 . 3.500 2.808 2.469 3.193 . 0 0 "[ . ]" 1
146 1 12 HIS HD2 1 17 CYS HB2 3.000 . 3.500 2.324 2.221 2.424 . 0 0 "[ . ]" 1
147 1 12 HIS HD2 1 17 CYS HB3 3.000 . 3.800 3.863 3.724 3.982 0.182 3 0 "[ . ]" 1
148 1 13 THR H 1 13 THR MG 3.000 . 4.500 2.679 2.562 2.907 . 0 0 "[ . ]" 1
149 1 13 THR H 1 14 ALA H 3.000 . 4.500 4.527 4.521 4.533 0.033 6 0 "[ . ]" 1
150 1 13 THR H 1 16 ASN HB2 3.000 . 4.500 2.414 2.185 2.609 . 0 0 "[ . ]" 1
151 1 13 THR H 1 16 ASN HB3 3.000 . 4.500 3.892 3.686 4.050 . 0 0 "[ . ]" 1
152 1 13 THR HA 1 14 ALA H 3.000 . 3.500 2.385 2.353 2.428 . 0 0 "[ . ]" 1
153 1 13 THR HB 1 14 ALA H 3.000 . 3.500 2.345 2.299 2.443 . 0 0 "[ . ]" 1
154 1 13 THR HB 1 15 ARG H 3.000 . 3.500 2.410 2.278 2.568 . 0 0 "[ . ]" 1
155 1 13 THR MG 1 14 ALA H 3.000 . 4.500 3.624 3.411 3.706 . 0 0 "[ . ]" 1
156 1 13 THR MG 1 15 ARG H 3.000 . 4.500 3.890 3.872 3.932 . 0 0 "[ . ]" 1
157 1 13 THR MG 1 16 ASN HD21 3.000 . 5.500 3.969 3.583 4.431 . 0 0 "[ . ]" 1
158 1 13 THR MG 1 16 ASN HD22 3.000 . 5.500 3.629 3.306 4.116 . 0 0 "[ . ]" 1
159 1 14 ALA H 1 14 ALA MB 3.000 . 3.500 2.208 2.195 2.216 . 0 0 "[ . ]" 1
160 1 14 ALA H 1 15 ARG H 3.000 . 3.500 2.735 2.667 2.779 . 0 0 "[ . ]" 1
161 1 14 ALA H 1 16 ASN H 3.000 . 4.500 4.415 4.239 4.511 0.011 4 0 "[ . ]" 1
162 1 14 ALA HA 1 16 ASN H 3.000 . 4.500 4.408 3.999 4.509 0.009 7 0 "[ . ]" 1
163 1 14 ALA HA 1 17 CYS H 3.000 . 3.500 3.309 3.037 3.508 0.008 2 0 "[ . ]" 1
164 1 14 ALA HA 1 17 CYS HB2 3.000 . 3.500 2.668 2.319 2.890 . 0 0 "[ . ]" 1
165 1 14 ALA HA 1 17 CYS HB3 3.000 . 3.500 2.597 2.316 2.965 . 0 0 "[ . ]" 1
166 1 14 ALA MB 1 15 ARG H 3.000 . 4.500 3.019 2.844 3.255 . 0 0 "[ . ]" 1
167 1 14 ALA MB 1 15 ARG HA 3.000 . 5.500 4.023 3.906 4.169 . 0 0 "[ . ]" 1
168 1 14 ALA MB 1 17 CYS HB2 3.000 . 5.500 4.284 3.950 4.485 . 0 0 "[ . ]" 1
169 1 14 ALA MB 1 17 CYS HB3 3.000 . 5.500 4.001 3.679 4.335 . 0 0 "[ . ]" 1
170 1 14 ALA MB 1 26 TRP HH2 3.000 . 5.500 2.686 2.471 3.362 . 0 0 "[ . ]" 1
171 1 14 ALA MB 1 26 TRP HZ2 3.000 . 5.500 2.511 2.041 2.989 . 0 0 "[ . ]" 1
172 1 15 ARG H 1 15 ARG HG2 3.000 . 3.500 2.422 2.033 3.191 . 0 0 "[ . ]" 1
173 1 15 ARG H 1 15 ARG HG3 3.000 . 3.500 2.907 2.013 3.548 0.048 4 0 "[ . ]" 1
174 1 15 ARG H 1 16 ASN H 3.000 . 3.500 2.413 2.272 2.454 . 0 0 "[ . ]" 1
175 1 15 ARG H 1 17 CYS H 3.000 . 4.500 3.753 3.624 3.900 . 0 0 "[ . ]" 1
176 1 15 ARG HA 1 17 CYS H 3.000 . 4.500 4.477 4.340 4.512 0.012 9 0 "[ . ]" 1
177 1 15 ARG HB2 1 16 ASN H 3.000 . 4.500 2.703 2.209 4.002 . 0 0 "[ . ]" 1
178 1 15 ARG HB3 1 16 ASN H 3.000 . 4.500 3.746 3.505 4.282 . 0 0 "[ . ]" 1
179 1 15 ARG HG2 1 16 ASN H 3.000 . 4.500 3.975 3.103 4.597 0.097 3 0 "[ . ]" 1
180 1 15 ARG HG3 1 15 ARG QH2 3.000 . 5.500 4.745 4.334 5.463 . 0 0 "[ . ]" 1
181 1 15 ARG HG3 1 16 ASN H 3.000 . 4.500 3.857 2.581 4.551 0.051 7 0 "[ . ]" 1
182 1 16 ASN HA 1 17 CYS H 3.000 . 3.500 3.525 3.513 3.539 0.039 1 0 "[ . ]" 1
183 1 16 ASN HB2 1 17 CYS H 3.000 . 4.500 2.648 2.566 2.743 . 0 0 "[ . ]" 1
184 1 16 ASN HB3 1 17 CYS H 3.000 . 4.500 3.763 3.708 3.834 . 0 0 "[ . ]" 1
185 1 17 CYS H 1 18 ARG H 3.000 . 4.500 4.518 4.449 4.554 0.054 9 0 "[ . ]" 1
186 1 17 CYS HA 1 19 ALA H 3.000 . 3.800 3.857 3.813 3.885 0.085 5 0 "[ . ]" 1
187 1 17 CYS HB2 1 18 ARG H 3.000 . 4.500 4.266 4.055 4.480 . 0 0 "[ . ]" 1
188 1 17 CYS HB2 1 19 ALA H 3.000 . 4.500 4.548 4.487 4.607 0.107 1 0 "[ . ]" 1
189 1 17 CYS HB3 1 18 ARG H 3.000 . 4.500 4.061 3.874 4.214 . 0 0 "[ . ]" 1
190 1 17 CYS HB3 1 19 ALA H 3.000 . 4.500 3.674 3.447 3.924 . 0 0 "[ . ]" 1
191 1 18 ARG H 1 18 ARG HG2 3.000 . 4.500 3.815 2.369 4.513 0.013 5 0 "[ . ]" 1
192 1 18 ARG H 1 18 ARG HG3 3.000 . 4.500 3.245 2.726 4.556 0.056 5 0 "[ . ]" 1
193 1 18 ARG H 1 19 ALA H 3.000 . 3.500 2.781 2.505 3.038 . 0 0 "[ . ]" 1
194 1 18 ARG HA 1 18 ARG HG2 3.000 . 3.500 2.627 2.241 3.607 0.107 7 0 "[ . ]" 1
195 1 18 ARG HA 1 18 ARG HG3 3.000 . 3.500 2.861 2.230 3.624 0.124 9 0 "[ . ]" 1
196 1 18 ARG HA 1 19 ALA H 3.000 . 3.500 2.456 2.349 2.660 . 0 0 "[ . ]" 1
197 1 18 ARG HB2 1 19 ALA H 3.000 . 4.500 4.398 4.313 4.520 0.020 5 0 "[ . ]" 1
198 1 18 ARG HB3 1 19 ALA H 3.000 . 4.500 4.391 4.313 4.543 0.043 7 0 "[ . ]" 1
199 1 18 ARG HG2 1 18 ARG QH2 3.000 . 5.500 4.702 4.219 5.306 . 0 0 "[ . ]" 1
200 1 18 ARG HG2 1 19 ALA H 3.000 . 4.500 4.576 4.526 4.618 0.118 1 0 "[ . ]" 1
201 1 18 ARG HG3 1 18 ARG QH2 3.000 . 5.500 4.402 4.045 5.470 . 0 0 "[ . ]" 1
202 1 18 ARG HG3 1 19 ALA H 3.000 . 4.500 4.474 4.146 4.619 0.119 2 0 "[ . ]" 1
203 1 19 ALA H 1 19 ALA MB 3.000 . 3.500 2.530 2.421 2.628 . 0 0 "[ . ]" 1
204 1 19 ALA H 1 20 PRO HD2 3.000 . 3.500 3.535 3.508 3.559 0.059 9 0 "[ . ]" 1
205 1 19 ALA H 1 20 PRO HD3 3.000 . 3.500 3.071 2.938 3.174 . 0 0 "[ . ]" 1
206 1 19 ALA HA 1 20 PRO HD2 3.000 . 3.500 2.399 2.355 2.431 . 0 0 "[ . ]" 1
207 1 19 ALA HA 1 20 PRO HD3 3.000 . 3.500 3.568 3.543 3.604 0.104 1 0 "[ . ]" 1
208 1 20 PRO HB2 1 21 ARG H 3.000 . 3.500 3.501 3.408 3.572 0.072 1 0 "[ . ]" 1
209 1 20 PRO HB3 1 21 ARG H 3.000 . 3.500 2.543 2.417 2.699 . 0 0 "[ . ]" 1
210 1 21 ARG H 1 21 ARG HG2 3.000 . 4.000 3.874 3.629 4.045 0.045 8 0 "[ . ]" 1
211 1 21 ARG H 1 21 ARG HG3 3.000 . 3.500 3.493 3.314 3.576 0.076 3 0 "[ . ]" 1
212 1 21 ARG H 1 22 LYS H 3.000 . 4.500 4.540 4.519 4.559 0.059 6 0 "[ . ]" 1
213 1 21 ARG HB2 1 22 LYS H 3.000 . 3.500 3.557 3.507 3.636 0.136 8 0 "[ . ]" 1
214 1 21 ARG HB2 1 26 TRP HD1 3.000 . 4.500 4.435 4.190 4.521 0.021 3 0 "[ . ]" 1
215 1 21 ARG HB3 1 22 LYS H 3.000 . 3.500 2.369 2.277 2.476 . 0 0 "[ . ]" 1
216 1 21 ARG HB3 1 26 TRP HD1 3.000 . 4.500 2.811 2.533 2.932 . 0 0 "[ . ]" 1
217 1 21 ARG HG2 1 21 ARG QH2 3.000 . 5.500 4.584 4.197 5.248 . 0 0 "[ . ]" 1
218 1 21 ARG HG2 1 22 LYS H 3.000 . 4.500 4.519 4.486 4.547 0.047 4 0 "[ . ]" 1
219 1 21 ARG HG2 1 26 TRP HZ2 3.000 . 4.500 4.141 3.208 4.521 0.021 2 0 "[ . ]" 1
220 1 21 ARG HG3 1 21 ARG QH2 3.000 . 5.500 4.288 4.088 4.503 . 0 0 "[ . ]" 1
221 1 21 ARG HG3 1 22 LYS H 3.000 . 4.500 3.987 3.808 4.106 . 0 0 "[ . ]" 1
222 1 21 ARG HG3 1 26 TRP HZ2 3.000 . 4.500 3.553 3.100 4.369 . 0 0 "[ . ]" 1
223 1 22 LYS H 1 22 LYS HG2 3.000 . 3.500 2.193 2.041 2.295 . 0 0 "[ . ]" 1
224 1 22 LYS H 1 22 LYS HG3 3.000 . 3.500 3.388 2.964 3.611 0.111 1 0 "[ . ]" 1
225 1 22 LYS H 1 23 LYS H 3.000 . 4.500 4.529 4.493 4.554 0.054 7 0 "[ . ]" 1
226 1 22 LYS HB2 1 26 TRP HD1 3.000 . 5.380 5.070 3.754 5.459 0.079 2 0 "[ . ]" 1
227 1 22 LYS HB3 1 26 TRP HD1 3.000 . 5.380 5.035 4.466 5.447 0.067 8 0 "[ . ]" 1
228 1 23 LYS H 1 23 LYS HG2 3.000 . 3.500 2.795 2.036 3.452 . 0 0 "[ . ]" 1
229 1 23 LYS H 1 23 LYS HG3 3.000 . 3.500 2.877 2.163 3.547 0.047 3 0 "[ . ]" 1
230 1 23 LYS HA 1 24 GLY H 3.000 . 3.000 3.125 1.945 3.294 0.294 3 0 "[ . ]" 1
231 1 23 LYS HB2 1 24 GLY H 3.000 . 3.500 2.816 2.182 3.736 0.236 2 0 "[ . ]" 1
232 1 23 LYS HB3 1 24 GLY H 3.000 . 3.500 3.555 3.333 3.830 0.330 2 0 "[ . ]" 1
233 1 23 LYS HG2 1 24 GLY H 3.000 . 4.500 4.012 2.366 4.568 0.068 7 0 "[ . ]" 1
234 1 23 LYS HG3 1 24 GLY H 3.000 . 4.500 3.778 2.008 4.628 0.128 1 0 "[ . ]" 1
235 1 24 GLY HA2 1 31 GLU HA 3.000 . 3.500 2.208 2.155 2.268 . 0 0 "[ . ]" 1
236 1 24 GLY HA2 1 31 GLU HG2 3.000 . 5.500 5.527 5.369 5.560 0.060 5 0 "[ . ]" 1
237 1 24 GLY HA2 1 31 GLU HG3 3.000 . 5.500 5.303 5.132 5.446 . 0 0 "[ . ]" 1
238 1 24 GLY HA3 1 31 GLU HA 3.000 . 3.500 2.710 2.521 3.122 . 0 0 "[ . ]" 1
239 1 24 GLY HA3 1 31 GLU HG2 3.000 . 5.500 5.180 4.978 5.501 0.001 1 0 "[ . ]" 1
240 1 24 GLY HA3 1 31 GLU HG3 3.000 . 5.500 5.396 5.081 5.526 0.026 8 0 "[ . ]" 1
241 1 25 CYS H 1 26 TRP H 3.000 . 4.500 4.415 4.123 4.503 0.003 5 0 "[ . ]" 1
242 1 25 CYS H 1 31 GLU HA 3.000 . 4.500 2.518 2.132 2.917 . 0 0 "[ . ]" 1
243 1 25 CYS HA 1 27 LYS H 3.000 . 4.500 3.527 3.227 3.637 . 0 0 "[ . ]" 1
244 1 25 CYS HA 1 34 GLN HA 3.000 . 3.500 3.286 3.047 3.441 . 0 0 "[ . ]" 1
245 1 25 CYS HA 1 35 MET H 3.000 . 3.500 3.406 3.241 3.502 0.002 9 0 "[ . ]" 1
246 1 25 CYS HB2 1 26 TRP H 3.000 . 4.500 4.429 4.368 4.468 . 0 0 "[ . ]" 1
247 1 25 CYS HB2 1 27 LYS H 3.000 . 4.500 4.466 4.370 4.554 0.054 2 0 "[ . ]" 1
248 1 25 CYS HB2 1 28 CYS H 3.000 . 3.500 3.830 3.781 3.891 0.391 8 0 "[ . ]" 1
249 1 25 CYS HB2 1 29 GLY H 3.000 . 3.500 3.583 3.556 3.617 0.117 9 0 "[ . ]" 1
250 1 25 CYS HB2 1 30 LYS H 3.000 . 3.500 3.534 3.501 3.569 0.069 8 0 "[ . ]" 1
251 1 25 CYS HB2 1 33 HIS HD2 3.000 . 3.500 2.488 2.252 2.755 . 0 0 "[ . ]" 1
252 1 25 CYS HB3 1 26 TRP H 3.000 . 4.500 4.153 3.950 4.502 0.002 8 0 "[ . ]" 1
253 1 25 CYS HB3 1 27 LYS H 3.000 . 4.500 3.579 3.183 3.974 . 0 0 "[ . ]" 1
254 1 25 CYS HB3 1 28 CYS H 3.000 . 3.500 2.745 2.613 2.892 . 0 0 "[ . ]" 1
255 1 25 CYS HB3 1 29 GLY H 3.000 . 3.500 2.009 1.962 2.043 0.038 2 0 "[ . ]" 1
256 1 25 CYS HB3 1 30 LYS H 3.000 . 3.500 2.851 2.445 3.199 . 0 0 "[ . ]" 1
257 1 25 CYS HB3 1 33 HIS HD2 3.000 . 4.000 4.012 3.807 4.250 0.250 3 0 "[ . ]" 1
258 1 26 TRP H 1 27 LYS H 3.000 . 3.500 2.661 2.465 2.856 . 0 0 "[ . ]" 1
259 1 26 TRP H 1 35 MET HB2 3.000 . 4.500 2.634 2.462 2.913 . 0 0 "[ . ]" 1
260 1 26 TRP H 1 35 MET HB3 3.000 . 4.500 2.068 1.988 2.196 0.012 4 0 "[ . ]" 1
261 1 26 TRP HA 1 26 TRP HD1 3.000 . 3.500 3.067 2.872 3.227 . 0 0 "[ . ]" 1
262 1 26 TRP HA 1 26 TRP HE3 3.000 . 4.500 4.420 4.273 4.542 0.042 1 0 "[ . ]" 1
263 1 26 TRP HB2 1 27 LYS H 3.000 . 4.500 3.798 3.681 3.907 . 0 0 "[ . ]" 1
264 1 26 TRP HB2 1 35 MET HB2 3.000 . 5.500 2.349 2.267 2.444 . 0 0 "[ . ]" 1
265 1 26 TRP HB2 1 35 MET HB3 3.000 . 5.500 2.213 2.098 2.338 . 0 0 "[ . ]" 1
266 1 26 TRP HB2 1 35 MET HG2 3.000 . 5.500 4.231 3.993 4.506 . 0 0 "[ . ]" 1
267 1 26 TRP HB2 1 35 MET HG3 3.000 . 5.500 4.260 4.165 4.404 . 0 0 "[ . ]" 1
268 1 26 TRP HB3 1 27 LYS H 3.000 . 4.500 2.958 2.796 3.115 . 0 0 "[ . ]" 1
269 1 26 TRP HB3 1 35 MET HB2 3.000 . 5.500 2.599 2.243 2.849 . 0 0 "[ . ]" 1
270 1 26 TRP HB3 1 35 MET HB3 3.000 . 5.500 3.395 3.082 3.556 . 0 0 "[ . ]" 1
271 1 26 TRP HB3 1 35 MET HG2 3.000 . 5.500 5.325 5.151 5.511 0.011 4 0 "[ . ]" 1
272 1 26 TRP HB3 1 35 MET HG3 3.000 . 5.500 4.830 4.547 5.046 . 0 0 "[ . ]" 1
273 1 26 TRP HD1 1 35 MET HB2 3.000 . 4.500 4.603 4.587 4.641 0.141 1 0 "[ . ]" 1
274 1 26 TRP HD1 1 35 MET HB3 3.000 . 4.500 4.043 3.811 4.490 . 0 0 "[ . ]" 1
275 1 26 TRP HE3 1 27 LYS HA 3.000 . 4.500 3.521 2.915 4.304 . 0 0 "[ . ]" 1
276 1 26 TRP HE3 1 27 LYS HG2 3.000 . 5.500 5.061 4.554 5.516 0.016 3 0 "[ . ]" 1
277 1 26 TRP HE3 1 27 LYS HG3 3.000 . 5.500 5.394 5.253 5.530 0.030 2 0 "[ . ]" 1
278 1 26 TRP HE3 1 35 MET ME 3.000 . 5.500 3.955 3.257 4.364 . 0 0 "[ . ]" 1
279 1 27 LYS H 1 27 LYS HG2 3.000 . 4.500 4.480 4.364 4.558 0.058 3 0 "[ . ]" 1
280 1 27 LYS H 1 27 LYS HG3 3.000 . 4.500 4.495 4.382 4.548 0.048 1 0 "[ . ]" 1
281 1 27 LYS H 1 28 CYS H 3.000 . 3.500 2.382 2.230 2.627 . 0 0 "[ . ]" 1
282 1 27 LYS H 1 29 GLY H 3.000 . 3.500 3.537 3.511 3.579 0.079 9 0 "[ . ]" 1
283 1 27 LYS H 1 35 MET HB2 3.000 . 4.500 4.037 3.837 4.187 . 0 0 "[ . ]" 1
284 1 27 LYS H 1 35 MET HB3 3.000 . 4.500 4.439 4.317 4.520 0.020 1 0 "[ . ]" 1
285 1 27 LYS HB2 1 28 CYS H 3.000 . 3.500 3.595 3.543 3.661 0.161 8 0 "[ . ]" 1
286 1 27 LYS HB2 1 35 MET HB2 3.000 . 6.500 4.582 4.241 4.918 . 0 0 "[ . ]" 1
287 1 27 LYS HB3 1 28 CYS H 3.000 . 3.500 2.276 2.193 2.446 . 0 0 "[ . ]" 1
288 1 27 LYS HB3 1 35 MET HB3 3.000 . 6.500 6.270 6.069 6.469 . 0 0 "[ . ]" 1
289 1 27 LYS HG2 1 28 CYS H 3.000 . 4.500 4.515 4.416 4.573 0.073 7 0 "[ . ]" 1
290 1 27 LYS HG2 1 28 CYS HA 3.000 . 5.500 5.051 4.843 5.445 . 0 0 "[ . ]" 1
291 1 27 LYS HG2 1 28 CYS HB2 3.000 . 6.500 5.961 5.286 6.522 0.022 7 0 "[ . ]" 1
292 1 27 LYS HG2 1 28 CYS HB3 3.000 . 6.500 4.916 3.712 5.540 . 0 0 "[ . ]" 1
293 1 27 LYS HG3 1 28 CYS H 3.000 . 4.500 4.272 3.742 4.571 0.071 4 0 "[ . ]" 1
294 1 27 LYS HG3 1 28 CYS HA 3.000 . 5.500 4.719 3.789 5.409 . 0 0 "[ . ]" 1
295 1 27 LYS HG3 1 28 CYS HB2 3.000 . 6.500 5.510 4.154 6.260 . 0 0 "[ . ]" 1
296 1 27 LYS HG3 1 28 CYS HB3 3.000 . 6.500 4.457 2.877 5.107 . 0 0 "[ . ]" 1
297 1 28 CYS HB2 1 29 GLY H 3.000 . 4.500 4.485 4.378 4.531 0.031 2 0 "[ . ]" 1
298 1 28 CYS HB2 1 40 GLU HB2 3.000 . 4.500 4.285 3.420 4.563 0.063 3 0 "[ . ]" 1
299 1 28 CYS HB2 1 40 GLU HB3 3.000 . 4.500 4.253 3.179 4.594 0.094 9 0 "[ . ]" 1
300 1 28 CYS HB3 1 29 GLY H 3.000 . 4.500 4.060 3.881 4.227 . 0 0 "[ . ]" 1
301 1 28 CYS HB3 1 40 GLU HB2 3.000 . 4.500 3.700 2.989 4.387 . 0 0 "[ . ]" 1
302 1 28 CYS HB3 1 40 GLU HB3 3.000 . 4.500 3.491 2.788 4.510 0.010 9 0 "[ . ]" 1
303 1 29 GLY H 1 30 LYS H 3.000 . 3.500 2.862 2.627 3.077 . 0 0 "[ . ]" 1
304 1 29 GLY HA2 1 30 LYS H 3.000 . 3.500 3.501 3.427 3.559 0.059 8 0 "[ . ]" 1
305 1 29 GLY HA3 1 30 LYS H 3.000 . 3.500 3.156 2.952 3.277 . 0 0 "[ . ]" 1
306 1 30 LYS H 1 30 LYS HG2 3.000 . 4.500 3.860 3.666 4.450 . 0 0 "[ . ]" 1
307 1 30 LYS H 1 30 LYS HG3 3.000 . 4.500 2.986 2.236 4.537 0.037 4 0 "[ . ]" 1
308 1 30 LYS HB2 1 31 GLU H 3.000 . 3.500 3.580 3.541 3.666 0.166 4 0 "[ . ]" 1
309 1 30 LYS HB2 1 33 HIS HE1 3.000 . 3.500 2.532 2.200 3.544 0.044 4 0 "[ . ]" 1
310 1 30 LYS HB3 1 31 GLU H 3.000 . 3.500 2.467 2.227 3.576 0.076 4 0 "[ . ]" 1
311 1 30 LYS HB3 1 33 HIS HE1 3.000 . 3.500 3.153 2.291 3.548 0.048 8 0 "[ . ]" 1
312 1 30 LYS HD2 1 33 HIS HE1 3.000 . 4.500 3.727 2.401 5.413 0.913 9 1 "[ . +]" 1
313 1 30 LYS HD3 1 33 HIS HE1 3.000 . 5.380 2.941 2.322 4.286 . 0 0 "[ . ]" 1
314 1 30 LYS HG2 1 31 GLU H 3.000 . 4.500 3.776 2.384 4.555 0.055 8 0 "[ . ]" 1
315 1 30 LYS HG2 1 33 HIS HE1 3.000 . 4.500 4.060 2.719 4.580 0.080 2 0 "[ . ]" 1
316 1 30 LYS HG3 1 31 GLU H 3.000 . 4.500 4.114 1.994 4.590 0.090 2 0 "[ . ]" 1
317 1 30 LYS HG3 1 33 HIS HE1 3.000 . 4.500 4.313 4.053 4.553 0.053 8 0 "[ . ]" 1
318 1 31 GLU H 1 31 GLU HG2 3.000 . 3.500 2.313 2.169 2.456 . 0 0 "[ . ]" 1
319 1 31 GLU H 1 31 GLU HG3 3.000 . 3.500 3.252 3.164 3.405 . 0 0 "[ . ]" 1
320 1 31 GLU H 1 32 GLY H 3.000 . 3.500 2.002 1.917 2.179 0.083 9 0 "[ . ]" 1
321 1 31 GLU HA 1 32 GLY H 3.000 . 3.500 3.352 3.333 3.381 . 0 0 "[ . ]" 1
322 1 31 GLU HA 1 33 HIS H 3.000 . 4.500 3.443 3.267 3.725 . 0 0 "[ . ]" 1
323 1 31 GLU HB2 1 32 GLY H 3.000 . 4.500 4.397 4.358 4.418 . 0 0 "[ . ]" 1
324 1 31 GLU HB3 1 32 GLY H 3.000 . 4.500 4.472 4.402 4.518 0.018 9 0 "[ . ]" 1
325 1 31 GLU HG2 1 32 GLY H 3.000 . 3.500 3.506 3.444 3.519 0.019 3 0 "[ . ]" 1
326 1 31 GLU HG3 1 32 GLY H 3.000 . 3.500 3.470 3.281 3.511 0.011 5 0 "[ . ]" 1
327 1 32 GLY H 1 33 HIS H 3.000 . 3.500 3.045 2.578 3.426 . 0 0 "[ . ]" 1
328 1 32 GLY HA2 1 33 HIS H 3.000 . 3.500 3.012 2.568 3.535 0.035 4 0 "[ . ]" 1
329 1 32 GLY HA3 1 33 HIS H 3.000 . 3.500 3.213 2.702 3.529 0.029 6 0 "[ . ]" 1
330 1 33 HIS H 1 34 GLN H 3.000 . 4.500 4.303 4.144 4.488 . 0 0 "[ . ]" 1
331 1 33 HIS HB2 1 34 GLN H 3.000 . 3.500 2.265 2.206 2.333 . 0 0 "[ . ]" 1
332 1 33 HIS HB3 1 34 GLN H 3.000 . 3.500 3.608 3.579 3.651 0.151 8 0 "[ . ]" 1
333 1 33 HIS HD2 1 34 GLN H 3.000 . 4.500 3.746 3.485 3.996 . 0 0 "[ . ]" 1
334 1 33 HIS HD2 1 37 ASP HB2 3.000 . 4.500 3.675 3.419 3.971 . 0 0 "[ . ]" 1
335 1 33 HIS HD2 1 37 ASP HB3 3.000 . 4.500 4.565 4.535 4.591 0.091 1 0 "[ . ]" 1
336 1 33 HIS HD2 1 38 CYS HA 3.000 . 3.500 3.613 3.513 3.705 0.205 8 0 "[ . ]" 1
337 1 33 HIS HD2 1 38 CYS HB2 3.000 . 3.500 2.175 2.097 2.271 . 0 0 "[ . ]" 1
338 1 33 HIS HD2 1 38 CYS HB3 3.000 . 3.800 3.822 3.665 3.913 0.113 9 0 "[ . ]" 1
339 1 34 GLN H 1 34 GLN HG2 3.000 . 3.500 2.139 2.091 2.257 . 0 0 "[ . ]" 1
340 1 34 GLN H 1 34 GLN HG3 3.000 . 3.500 3.582 3.534 3.613 0.113 2 0 "[ . ]" 1
341 1 34 GLN H 1 37 ASP HB2 3.000 . 3.500 2.162 1.990 2.278 0.010 1 0 "[ . ]" 1
342 1 34 GLN H 1 37 ASP HB3 3.000 . 3.500 3.362 3.127 3.509 0.009 7 0 "[ . ]" 1
343 1 34 GLN HA 1 35 MET H 3.000 . 3.500 2.600 2.535 2.692 . 0 0 "[ . ]" 1
344 1 34 GLN HB2 1 35 MET H 3.000 . 3.500 2.022 1.983 2.061 0.017 7 0 "[ . ]" 1
345 1 34 GLN HB2 1 36 LYS H 3.000 . 5.000 3.482 3.153 3.635 . 0 0 "[ . ]" 1
346 1 34 GLN HB2 1 36 LYS HG2 3.000 . 6.500 5.223 4.538 5.427 . 0 0 "[ . ]" 1
347 1 34 GLN HB2 1 36 LYS HG3 3.000 . 6.500 4.071 3.508 5.652 . 0 0 "[ . ]" 1
348 1 34 GLN HB3 1 35 MET H 3.000 . 3.500 3.507 3.473 3.537 0.037 8 0 "[ . ]" 1
349 1 34 GLN HB3 1 36 LYS H 3.000 . 4.500 4.686 4.571 4.787 0.287 9 0 "[ . ]" 1
350 1 34 GLN HB3 1 36 LYS HG2 3.000 . 6.500 6.466 5.735 6.574 0.074 6 0 "[ . ]" 1
351 1 34 GLN HB3 1 36 LYS HG3 3.000 . 6.500 5.122 4.852 6.509 0.009 8 0 "[ . ]" 1
352 1 34 GLN HG2 1 35 MET H 3.000 . 3.500 3.595 3.515 3.636 0.136 3 0 "[ . ]" 1
353 1 34 GLN HG2 1 36 LYS H 3.000 . 4.500 3.307 2.887 3.540 . 0 0 "[ . ]" 1
354 1 34 GLN HG2 1 37 ASP H 3.000 . 4.500 2.196 2.046 2.473 . 0 0 "[ . ]" 1
355 1 34 GLN HG3 1 35 MET H 3.000 . 3.500 2.722 2.466 3.566 0.066 7 0 "[ . ]" 1
356 1 34 GLN HG3 1 36 LYS H 3.000 . 4.500 2.073 1.934 2.924 0.066 3 0 "[ . ]" 1
357 1 34 GLN HG3 1 37 ASP H 3.000 . 4.500 2.515 2.293 3.169 . 0 0 "[ . ]" 1
358 1 35 MET H 1 35 MET HG2 3.000 . 3.500 2.203 2.092 2.350 . 0 0 "[ . ]" 1
359 1 35 MET H 1 35 MET HG3 3.000 . 3.500 3.514 3.501 3.541 0.041 1 0 "[ . ]" 1
360 1 35 MET H 1 36 LYS H 3.000 . 3.500 2.529 2.438 2.633 . 0 0 "[ . ]" 1
361 1 35 MET H 1 37 ASP H 3.000 . 4.500 4.215 4.107 4.354 . 0 0 "[ . ]" 1
362 1 35 MET HA 1 38 CYS HB2 3.000 . 3.500 3.562 3.524 3.597 0.097 4 0 "[ . ]" 1
363 1 35 MET HA 1 38 CYS HB3 3.000 . 3.500 3.520 3.453 3.553 0.053 2 0 "[ . ]" 1
364 1 35 MET HB2 1 36 LYS H 3.000 . 4.000 3.965 3.840 4.039 0.039 7 0 "[ . ]" 1
365 1 35 MET HB3 1 36 LYS H 3.000 . 4.000 3.813 3.724 3.871 . 0 0 "[ . ]" 1
366 1 35 MET HG2 1 36 LYS H 3.000 . 4.500 2.300 2.174 2.404 . 0 0 "[ . ]" 1
367 1 35 MET HG2 1 36 LYS HA 3.000 . 4.500 4.480 4.405 4.521 0.021 8 0 "[ . ]" 1
368 1 35 MET HG3 1 36 LYS H 3.000 . 4.500 2.629 2.541 2.753 . 0 0 "[ . ]" 1
369 1 35 MET HG3 1 36 LYS HA 3.000 . 4.500 3.548 3.435 3.678 . 0 0 "[ . ]" 1
370 1 36 LYS H 1 36 LYS HG2 3.000 . 3.500 2.560 2.081 2.767 . 0 0 "[ . ]" 1
371 1 36 LYS H 1 36 LYS HG3 3.000 . 3.500 2.255 1.972 3.513 0.028 6 0 "[ . ]" 1
372 1 36 LYS H 1 37 ASP H 3.000 . 3.500 2.708 2.627 2.800 . 0 0 "[ . ]" 1
373 1 36 LYS H 1 38 CYS H 3.000 . 4.500 4.228 4.146 4.329 . 0 0 "[ . ]" 1
374 1 36 LYS HA 1 37 ASP H 3.000 . 3.500 3.527 3.518 3.535 0.035 8 0 "[ . ]" 1
375 1 36 LYS HA 1 38 CYS H 3.000 . 4.500 4.525 4.505 4.538 0.038 6 0 "[ . ]" 1
376 1 36 LYS HB2 1 37 ASP H 3.000 . 4.500 2.217 2.137 2.377 . 0 0 "[ . ]" 1
377 1 36 LYS HB3 1 37 ASP H 3.000 . 4.500 3.519 3.326 3.628 . 0 0 "[ . ]" 1
378 1 36 LYS HG2 1 37 ASP H 3.000 . 4.500 4.406 4.046 4.506 0.006 4 0 "[ . ]" 1
379 1 36 LYS HG3 1 37 ASP H 3.000 . 4.500 3.768 3.555 4.527 0.027 8 0 "[ . ]" 1
380 1 37 ASP H 1 38 CYS H 3.000 . 3.500 2.923 2.841 2.978 . 0 0 "[ . ]" 1
381 1 37 ASP HB2 1 38 CYS H 3.000 . 4.500 2.556 2.463 2.769 . 0 0 "[ . ]" 1
382 1 37 ASP HB3 1 38 CYS H 3.000 . 4.500 3.387 3.240 3.529 . 0 0 "[ . ]" 1
383 1 38 CYS H 1 39 THR H 3.000 . 4.500 4.533 4.417 4.569 0.069 6 0 "[ . ]" 1
384 1 38 CYS HA 1 39 THR MG 3.000 . 6.500 4.086 3.649 5.445 . 0 0 "[ . ]" 1
385 1 38 CYS HA 1 40 GLU H 3.000 . 4.500 3.994 2.852 4.576 0.076 8 0 "[ . ]" 1
386 1 38 CYS HB2 1 39 THR H 3.000 . 4.500 4.147 3.997 4.311 . 0 0 "[ . ]" 1
387 1 38 CYS HB3 1 39 THR H 3.000 . 4.500 4.118 3.690 4.348 . 0 0 "[ . ]" 1
388 1 39 THR H 1 39 THR MG 3.000 . 4.500 2.757 2.183 3.707 . 0 0 "[ . ]" 1
389 1 39 THR H 1 40 GLU H 3.000 . 3.500 2.918 1.954 3.525 0.046 9 0 "[ . ]" 1
390 1 39 THR HA 1 39 THR MG 3.000 . 3.500 2.338 2.292 2.373 . 0 0 "[ . ]" 1
391 1 39 THR HA 1 40 GLU H 3.000 . 3.500 3.057 2.524 3.524 0.024 8 0 "[ . ]" 1
392 1 39 THR HB 1 40 GLU H 3.000 . 4.500 4.023 2.542 4.517 0.017 6 0 "[ . ]" 1
393 1 39 THR MG 1 40 GLU H 3.000 . 5.500 4.225 3.681 4.435 . 0 0 "[ . ]" 1
394 1 40 GLU H 1 40 GLU HB2 3.000 . 3.500 3.130 2.491 3.738 0.238 8 0 "[ . ]" 1
395 1 40 GLU H 1 40 GLU HB3 3.000 . 3.500 2.933 2.092 3.611 0.111 8 0 "[ . ]" 1
396 1 40 GLU H 1 40 GLU HG2 3.000 . 4.500 3.622 1.972 4.600 0.100 9 0 "[ . ]" 1
397 1 40 GLU H 1 40 GLU HG3 3.000 . 4.500 3.238 1.979 4.507 0.021 3 0 "[ . ]" 1
398 1 40 GLU HB2 1 41 ARG H 3.000 . 4.500 3.793 2.346 4.484 . 0 0 "[ . ]" 1
399 1 40 GLU HB3 1 41 ARG H 3.000 . 4.500 3.584 2.033 4.554 0.054 8 0 "[ . ]" 1
400 1 40 GLU HG2 1 41 ARG H 3.000 . 4.500 3.994 2.695 4.637 0.137 5 0 "[ . ]" 1
401 1 40 GLU HG3 1 41 ARG H 3.000 . 4.500 3.678 2.317 4.572 0.072 2 0 "[ . ]" 1
402 1 41 ARG H 1 41 ARG HA 3.000 . 3.000 2.899 2.861 2.942 . 0 0 "[ . ]" 1
403 1 41 ARG H 1 41 ARG HB2 3.000 . 3.500 2.938 2.232 3.704 0.204 7 0 "[ . ]" 1
404 1 41 ARG H 1 41 ARG HB3 3.000 . 3.500 3.247 2.546 3.572 0.072 9 0 "[ . ]" 1
405 1 41 ARG H 1 41 ARG HG2 3.000 . 3.500 2.689 1.994 3.498 0.006 8 0 "[ . ]" 1
406 1 41 ARG H 1 41 ARG HG3 3.000 . 3.500 2.908 1.991 3.578 0.078 4 0 "[ . ]" 1
407 1 41 ARG HA 1 42 GLN H 3.000 . 3.500 3.173 2.424 3.569 0.069 2 0 "[ . ]" 1
408 1 42 GLN H 1 42 GLN HB2 3.000 . 3.500 2.396 2.335 2.456 . 0 0 "[ . ]" 1
409 1 42 GLN H 1 42 GLN HB3 3.000 . 3.500 3.547 3.521 3.571 0.071 2 0 "[ . ]" 1
410 1 42 GLN H 1 42 GLN HG2 3.000 . 3.500 3.259 2.114 3.535 0.035 1 0 "[ . ]" 1
411 1 42 GLN H 1 42 GLN HG3 3.000 . 3.500 2.517 2.195 3.557 0.057 3 0 "[ . ]" 1
412 1 42 GLN HA 1 42 GLN HG2 3.000 . 3.500 2.550 2.299 3.259 . 0 0 "[ . ]" 1
413 1 42 GLN HA 1 42 GLN HG3 3.000 . 3.500 3.215 2.871 3.617 0.117 3 0 "[ . ]" 1
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