NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384644 |
1kn7   |
5236 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1kn7
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 283
_Distance_constraint_stats_list.Viol_count 1326
_Distance_constraint_stats_list.Viol_total 3891.042
_Distance_constraint_stats_list.Viol_max 0.657
_Distance_constraint_stats_list.Viol_rms 0.0679
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0220
_Distance_constraint_stats_list.Viol_average_violations_only 0.1174
_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 4 MET 0.085 0.051 8 0 "[ . 1 . 2 .]"
1 5 GLU 2.457 0.404 25 0 "[ . 1 . 2 .]"
1 6 VAL 1.122 0.115 20 0 "[ . 1 . 2 .]"
1 7 ALA 1.122 0.115 20 0 "[ . 1 . 2 .]"
1 8 MET 2.227 0.657 21 2 "[ . 1 . - 2+ .]"
1 9 VAL 2.652 0.181 23 0 "[ . 1 . 2 .]"
1 10 SER 2.712 0.181 23 0 "[ . 1 . 2 .]"
1 11 ALA 0.585 0.257 25 0 "[ . 1 . 2 .]"
1 12 GLU 4.131 0.412 4 0 "[ . 1 . 2 .]"
1 13 SER 0.095 0.056 3 0 "[ . 1 . 2 .]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 ASN 10.409 0.318 18 0 "[ . 1 . 2 .]"
1 18 SER 10.405 0.318 18 0 "[ . 1 . 2 .]"
1 19 HIS 6.873 0.338 6 0 "[ . 1 . 2 .]"
1 20 MET 6.873 0.338 6 0 "[ . 1 . 2 .]"
1 21 PRO 0.661 0.174 15 0 "[ . 1 . 2 .]"
1 22 TYR 0.804 0.174 15 0 "[ . 1 . 2 .]"
1 23 GLY 10.026 0.216 10 0 "[ . 1 . 2 .]"
1 24 TYR 8.249 0.199 18 0 "[ . 1 . 2 .]"
1 25 ALA 0.045 0.010 16 0 "[ . 1 . 2 .]"
1 26 ALA 0.270 0.170 11 0 "[ . 1 . 2 .]"
1 27 GLN 5.033 0.331 3 0 "[ . 1 . 2 .]"
1 28 ALA 6.006 0.131 11 0 "[ . 1 . 2 .]"
1 29 ARG 16.389 0.429 15 0 "[ . 1 . 2 .]"
1 30 ALA 18.093 0.429 15 0 "[ . 1 . 2 .]"
1 31 ARG 9.249 0.173 11 0 "[ . 1 . 2 .]"
1 32 GLU 3.122 0.137 3 0 "[ . 1 . 2 .]"
1 33 ARG 6.574 0.196 3 0 "[ . 1 . 2 .]"
1 34 GLU 3.832 0.137 3 0 "[ . 1 . 2 .]"
1 35 ARG 0.450 0.427 9 0 "[ . 1 . 2 .]"
1 36 LEU 12.909 0.427 9 0 "[ . 1 . 2 .]"
1 37 ALA 15.700 0.373 19 0 "[ . 1 . 2 .]"
1 38 HIS 4.636 0.186 25 0 "[ . 1 . 2 .]"
1 39 SER 1.385 0.055 14 0 "[ . 1 . 2 .]"
1 40 ARG 13.274 0.515 22 25 [*************-*******+***]
1 41 ALA 13.214 0.515 22 25 [*************-*******+***]
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 ALA 0.000 0.000 16 0 "[ . 1 . 2 .]"
1 44 ALA 1.550 0.119 16 0 "[ . 1 . 2 .]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ALA 8.903 0.206 8 0 "[ . 1 . 2 .]"
1 47 VAL 10.416 0.185 7 0 "[ . 1 . 2 .]"
1 48 ALA 5.549 0.174 12 0 "[ . 1 . 2 .]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 ALA 0.356 0.127 20 0 "[ . 1 . 2 .]"
1 51 THR 1.447 0.300 21 0 "[ . 1 . 2 .]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 ALA 4.694 0.119 12 0 "[ . 1 . 2 .]"
1 54 VAL 2.080 0.105 7 0 "[ . 1 . 2 .]"
1 55 GLU 1.213 0.211 3 0 "[ . 1 . 2 .]"
1 56 GLY 0.420 0.211 3 0 "[ . 1 . 2 .]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 GLY 1.760 0.160 15 0 "[ . 1 . 2 .]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 HIS 1.353 0.464 2 0 "[ . 1 . 2 .]"
1 66 HIS 2.630 0.262 3 0 "[ . 1 . 2 .]"
1 67 HIS 0.617 0.288 2 0 "[ . 1 . 2 .]"
1 68 HIS 1.473 0.105 24 0 "[ . 1 . 2 .]"
1 69 GLN 2.276 0.438 14 0 "[ . 1 . 2 .]"
1 70 THR 2.162 0.142 19 0 "[ . 1 . 2 .]"
1 71 ARG 4.132 0.495 9 0 "[ . 1 . 2 .]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 74 TYR 0.881 0.234 1 0 "[ . 1 . 2 .]"
1 75 SER 0.881 0.234 1 0 "[ . 1 . 2 .]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 77 HIS 5.119 0.595 6 2 "[ .+ 1 - . 2 .]"
1 78 ASP 4.508 0.595 6 2 "[ .+ 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 4 MET H 1 4 MET HB2 . . 3.480 2.607 2.002 3.531 0.051 8 0 "[ . 1 . 2 .]" 1
2 1 4 MET H 1 4 MET HB3 . . 3.610 3.158 2.365 3.569 . 0 0 "[ . 1 . 2 .]" 1
3 1 4 MET HA 1 5 GLU H . . 2.860 2.327 2.203 2.568 . 0 0 "[ . 1 . 2 .]" 1
4 1 5 GLU H 1 5 GLU HB2 . . 3.520 2.631 2.068 3.533 0.013 6 0 "[ . 1 . 2 .]" 1
5 1 5 GLU H 1 5 GLU HB3 . . 3.020 2.940 2.258 3.424 0.404 25 0 "[ . 1 . 2 .]" 1
6 1 5 GLU HA 1 6 VAL H . . 2.590 2.360 2.204 2.573 . 0 0 "[ . 1 . 2 .]" 1
7 1 6 VAL H 1 6 VAL HB . . 3.050 2.618 2.296 3.037 . 0 0 "[ . 1 . 2 .]" 1
8 1 6 VAL H 1 6 VAL MG1 . . 4.510 3.382 1.904 3.894 . 0 0 "[ . 1 . 2 .]" 1
9 1 6 VAL HA 1 7 ALA H . . 2.620 2.495 2.331 2.735 0.115 20 0 "[ . 1 . 2 .]" 1
10 1 6 VAL HB 1 7 ALA H . . 3.700 3.706 3.592 3.802 0.102 5 0 "[ . 1 . 2 .]" 1
11 1 6 VAL MG1 1 7 ALA H . . 5.600 2.188 1.812 3.759 . 0 0 "[ . 1 . 2 .]" 1
12 1 6 VAL MG2 1 7 ALA H . . 6.530 3.297 1.793 4.180 . 0 0 "[ . 1 . 2 .]" 1
13 1 7 ALA HA 1 8 MET H . . 2.550 2.328 2.187 2.549 . 0 0 "[ . 1 . 2 .]" 1
14 1 7 ALA MB 1 8 MET H . . 4.950 3.092 2.336 3.789 . 0 0 "[ . 1 . 2 .]" 1
15 1 8 MET H 1 8 MET HB2 . . 3.170 2.624 1.984 3.827 0.657 21 2 "[ . 1 . - 2+ .]" 1
16 1 8 MET H 1 8 MET HB3 . . 3.980 3.111 2.418 3.925 . 0 0 "[ . 1 . 2 .]" 1
17 1 8 MET H 1 8 MET HG2 . . 5.500 3.846 2.310 5.116 . 0 0 "[ . 1 . 2 .]" 1
18 1 8 MET H 1 8 MET HG3 . . 5.100 3.779 2.089 4.618 . 0 0 "[ . 1 . 2 .]" 1
19 1 8 MET HA 1 9 VAL H . . 2.620 2.317 2.203 2.611 . 0 0 "[ . 1 . 2 .]" 1
20 1 9 VAL H 1 9 VAL HB . . 2.800 2.586 2.186 2.812 0.012 23 0 "[ . 1 . 2 .]" 1
21 1 9 VAL HA 1 10 SER H . . 2.650 2.571 2.398 2.805 0.155 13 0 "[ . 1 . 2 .]" 1
22 1 9 VAL HB 1 10 SER H . . 3.520 3.558 3.450 3.701 0.181 23 0 "[ . 1 . 2 .]" 1
23 1 9 VAL QG 1 10 SER H . . 7.500 1.859 1.767 2.046 . 0 0 "[ . 1 . 2 .]" 1
24 1 10 SER HA 1 11 ALA H . . 2.800 2.373 2.216 2.837 0.037 25 0 "[ . 1 . 2 .]" 1
25 1 10 SER QB 1 11 ALA H . . 5.170 3.257 1.927 4.027 . 0 0 "[ . 1 . 2 .]" 1
26 1 10 SER QB 1 12 GLU H . . 5.290 4.214 3.411 4.900 . 0 0 "[ . 1 . 2 .]" 1
27 1 11 ALA HA 1 12 GLU H . . 3.020 2.418 2.210 3.277 0.257 25 0 "[ . 1 . 2 .]" 1
28 1 11 ALA MB 1 12 GLU H . . 4.820 3.526 1.808 3.791 . 0 0 "[ . 1 . 2 .]" 1
29 1 12 GLU H 1 12 GLU HA . . 2.830 2.670 2.170 2.830 . 0 0 "[ . 1 . 2 .]" 1
30 1 12 GLU H 1 12 GLU HB2 . . 3.420 2.861 2.021 3.466 0.046 18 0 "[ . 1 . 2 .]" 1
31 1 12 GLU H 1 12 GLU HB3 . . 3.020 2.883 2.172 3.432 0.412 4 0 "[ . 1 . 2 .]" 1
32 1 12 GLU HA 1 13 SER H . . 2.710 2.453 2.319 2.578 . 0 0 "[ . 1 . 2 .]" 1
33 1 12 GLU HB2 1 13 SER H . . 4.170 3.714 2.551 4.163 . 0 0 "[ . 1 . 2 .]" 1
34 1 12 GLU HB3 1 13 SER H . . 4.110 3.568 2.648 4.166 0.056 3 0 "[ . 1 . 2 .]" 1
35 1 12 GLU QG 1 13 SER H . . 6.380 2.431 1.865 3.815 . 0 0 "[ . 1 . 2 .]" 1
36 1 14 SER H 1 14 SER HA . . 3.080 2.586 2.169 2.917 . 0 0 "[ . 1 . 2 .]" 1
37 1 14 SER HA 1 15 GLY H . . 3.110 2.349 2.215 2.610 . 0 0 "[ . 1 . 2 .]" 1
38 1 15 GLY H 1 16 CYS H . . 4.200 3.530 2.357 4.196 . 0 0 "[ . 1 . 2 .]" 1
39 1 15 GLY QA 1 16 CYS H . . 3.930 2.352 2.168 2.694 . 0 0 "[ . 1 . 2 .]" 1
40 1 16 CYS H 1 17 ASN H . . 3.420 2.943 2.352 3.379 . 0 0 "[ . 1 . 2 .]" 1
41 1 16 CYS HA 1 17 ASN H . . 2.860 2.538 2.339 2.684 . 0 0 "[ . 1 . 2 .]" 1
42 1 17 ASN H 1 17 ASN HA . . 3.140 2.891 2.878 2.911 . 0 0 "[ . 1 . 2 .]" 1
43 1 17 ASN H 1 17 ASN HB2 . . 3.270 2.188 2.135 2.300 . 0 0 "[ . 1 . 2 .]" 1
44 1 17 ASN H 1 17 ASN HB3 . . 3.270 3.266 3.260 3.271 0.001 21 0 "[ . 1 . 2 .]" 1
45 1 17 ASN H 1 18 SER H . . 3.580 2.697 2.541 2.777 . 0 0 "[ . 1 . 2 .]" 1
46 1 17 ASN HA 1 18 SER H . . 2.960 3.062 3.061 3.063 0.103 16 0 "[ . 1 . 2 .]" 1
47 1 17 ASN HB2 1 18 SER H . . 4.320 4.209 4.205 4.219 . 0 0 "[ . 1 . 2 .]" 1
48 1 17 ASN HB3 1 18 SER H . . 3.890 4.204 4.195 4.208 0.318 18 0 "[ . 1 . 2 .]" 1
49 1 18 SER H 1 19 HIS H . . 3.520 3.376 3.079 3.519 . 0 0 "[ . 1 . 2 .]" 1
50 1 18 SER HA 1 19 HIS H . . 2.900 2.349 2.233 2.695 . 0 0 "[ . 1 . 2 .]" 1
51 1 18 SER QB 1 19 HIS H . . 5.170 3.909 3.632 4.094 . 0 0 "[ . 1 . 2 .]" 1
52 1 19 HIS H 1 19 HIS HA . . 2.990 2.741 2.193 2.931 . 0 0 "[ . 1 . 2 .]" 1
53 1 19 HIS H 1 19 HIS QB . . 3.170 2.780 2.345 2.984 . 0 0 "[ . 1 . 2 .]" 1
54 1 19 HIS H 1 20 MET H . . 3.330 3.085 2.453 3.318 . 0 0 "[ . 1 . 2 .]" 1
55 1 19 HIS HA 1 20 MET H . . 2.960 2.543 2.281 2.879 . 0 0 "[ . 1 . 2 .]" 1
56 1 19 HIS QB 1 20 MET H . . 3.790 4.065 3.915 4.128 0.338 6 0 "[ . 1 . 2 .]" 1
57 1 20 MET H 1 20 MET HA . . 3.050 2.755 2.624 2.879 . 0 0 "[ . 1 . 2 .]" 1
58 1 20 MET H 1 20 MET QB . . 3.870 2.148 1.958 2.605 . 0 0 "[ . 1 . 2 .]" 1
59 1 21 PRO HA 1 22 TYR H . . 3.050 2.443 2.151 2.778 . 0 0 "[ . 1 . 2 .]" 1
60 1 21 PRO HB2 1 22 TYR H . . 4.200 3.046 1.957 4.374 0.174 15 0 "[ . 1 . 2 .]" 1
61 1 21 PRO HB3 1 22 TYR H . . 5.500 3.666 3.103 4.587 . 0 0 "[ . 1 . 2 .]" 1
62 1 21 PRO QG 1 22 TYR H . . 6.380 4.474 3.792 5.020 . 0 0 "[ . 1 . 2 .]" 1
63 1 22 TYR HA 1 23 GLY H . . 2.550 2.351 2.188 2.604 0.054 11 0 "[ . 1 . 2 .]" 1
64 1 22 TYR HA 1 25 ALA MB . . 6.530 4.004 2.748 5.309 . 0 0 "[ . 1 . 2 .]" 1
65 1 22 TYR QB 1 23 GLY H . . 4.640 3.331 2.278 4.118 . 0 0 "[ . 1 . 2 .]" 1
66 1 22 TYR QB 1 25 ALA MB . . 7.400 4.353 1.971 5.362 . 0 0 "[ . 1 . 2 .]" 1
67 1 22 TYR QD 1 23 GLY H . . 7.640 3.995 2.351 4.829 . 0 0 "[ . 1 . 2 .]" 1
68 1 23 GLY H 1 23 GLY HA2 . . 2.770 2.786 2.267 2.911 0.141 1 0 "[ . 1 . 2 .]" 1
69 1 23 GLY H 1 23 GLY HA3 . . 2.740 2.651 2.255 2.956 0.216 10 0 "[ . 1 . 2 .]" 1
70 1 23 GLY H 1 24 TYR H . . 3.360 3.115 1.894 3.433 0.073 1 0 "[ . 1 . 2 .]" 1
71 1 23 GLY HA2 1 24 TYR H . . 3.270 3.430 3.372 3.451 0.181 23 0 "[ . 1 . 2 .]" 1
72 1 23 GLY HA3 1 24 TYR H . . 3.140 2.580 2.228 3.339 0.199 18 0 "[ . 1 . 2 .]" 1
73 1 24 TYR H 1 24 TYR HA . . 2.770 2.798 2.661 2.898 0.128 9 0 "[ . 1 . 2 .]" 1
74 1 24 TYR H 1 24 TYR HB2 . . 3.390 2.509 1.949 3.473 0.083 9 0 "[ . 1 . 2 .]" 1
75 1 24 TYR H 1 24 TYR QB . . 3.870 2.099 1.927 2.600 . 0 0 "[ . 1 . 2 .]" 1
76 1 24 TYR H 1 24 TYR HB3 . . 3.520 2.828 2.133 3.477 . 0 0 "[ . 1 . 2 .]" 1
77 1 24 TYR H 1 25 ALA H . . 3.330 2.834 2.494 3.340 0.010 16 0 "[ . 1 . 2 .]" 1
78 1 24 TYR HA 1 25 ALA H . . 4.170 3.363 2.791 3.610 . 0 0 "[ . 1 . 2 .]" 1
79 1 24 TYR HA 1 27 GLN H . . 5.040 3.735 3.089 5.066 0.026 11 0 "[ . 1 . 2 .]" 1
80 1 24 TYR QB 1 25 ALA H . . 4.700 3.289 2.404 4.087 . 0 0 "[ . 1 . 2 .]" 1
81 1 25 ALA H 1 26 ALA H . . 2.990 2.630 2.345 2.992 0.002 25 0 "[ . 1 . 2 .]" 1
82 1 26 ALA H 1 27 GLN H . . 3.390 2.568 2.309 3.337 . 0 0 "[ . 1 . 2 .]" 1
83 1 26 ALA HA 1 27 GLN H . . 3.360 3.287 3.138 3.530 0.170 11 0 "[ . 1 . 2 .]" 1
84 1 26 ALA MB 1 27 GLN H . . 4.260 3.338 1.856 3.571 . 0 0 "[ . 1 . 2 .]" 1
85 1 26 ALA MB 1 27 GLN HE21 . . 6.530 5.239 3.811 6.253 . 0 0 "[ . 1 . 2 .]" 1
86 1 27 GLN H 1 27 GLN HA . . 3.080 2.865 2.802 2.879 . 0 0 "[ . 1 . 2 .]" 1
87 1 27 GLN H 1 27 GLN HG2 . . 4.380 3.870 2.591 4.711 0.331 3 0 "[ . 1 . 2 .]" 1
88 1 27 GLN H 1 27 GLN HG3 . . 5.280 4.054 3.297 4.536 . 0 0 "[ . 1 . 2 .]" 1
89 1 27 GLN HA 1 28 ALA H . . 3.300 3.322 3.318 3.366 0.066 11 0 "[ . 1 . 2 .]" 1
90 1 27 GLN HA 1 30 ALA H . . 3.140 3.197 3.192 3.199 0.059 5 0 "[ . 1 . 2 .]" 1
91 1 27 GLN QB 1 28 ALA H . . 4.330 3.471 3.391 3.913 . 0 0 "[ . 1 . 2 .]" 1
92 1 28 ALA H 1 28 ALA HA . . 2.900 2.788 2.743 2.794 . 0 0 "[ . 1 . 2 .]" 1
93 1 28 ALA H 1 28 ALA MB . . 3.640 2.069 1.945 2.161 . 0 0 "[ . 1 . 2 .]" 1
94 1 28 ALA H 1 29 ARG H . . 3.420 2.636 2.622 2.745 . 0 0 "[ . 1 . 2 .]" 1
95 1 28 ALA HA 1 29 ARG H . . 3.370 3.490 3.484 3.501 0.131 11 0 "[ . 1 . 2 .]" 1
96 1 28 ALA HA 1 31 ARG H . . 3.110 3.208 3.200 3.210 0.100 6 0 "[ . 1 . 2 .]" 1
97 1 28 ALA MB 1 29 ARG H . . 3.990 3.044 3.009 3.089 . 0 0 "[ . 1 . 2 .]" 1
98 1 28 ALA MB 1 31 ARG H . . 6.530 4.408 4.395 4.414 . 0 0 "[ . 1 . 2 .]" 1
99 1 29 ARG H 1 29 ARG HA . . 2.770 2.805 2.797 2.814 0.044 3 0 "[ . 1 . 2 .]" 1
100 1 29 ARG H 1 29 ARG HB2 . . 3.110 2.127 2.054 2.228 . 0 0 "[ . 1 . 2 .]" 1
101 1 29 ARG H 1 29 ARG HB3 . . 3.170 2.962 2.797 3.122 . 0 0 "[ . 1 . 2 .]" 1
102 1 29 ARG H 1 30 ALA H . . 3.240 2.495 2.460 2.518 . 0 0 "[ . 1 . 2 .]" 1
103 1 29 ARG HA 1 30 ALA H . . 3.450 3.556 3.538 3.558 0.108 24 0 "[ . 1 . 2 .]" 1
104 1 29 ARG HA 1 32 GLU H . . 3.300 3.425 3.422 3.437 0.137 3 0 "[ . 1 . 2 .]" 1
105 1 29 ARG HB2 1 30 ALA H . . 3.330 3.601 3.431 3.759 0.429 15 0 "[ . 1 . 2 .]" 1
106 1 29 ARG HB3 1 30 ALA H . . 3.760 3.031 2.932 3.163 . 0 0 "[ . 1 . 2 .]" 1
107 1 30 ALA H 1 31 ARG H . . 3.300 2.494 2.435 2.503 . 0 0 "[ . 1 . 2 .]" 1
108 1 30 ALA HA 1 31 ARG H . . 3.450 3.555 3.542 3.556 0.106 11 0 "[ . 1 . 2 .]" 1
109 1 30 ALA HA 1 33 ARG H . . 2.800 2.985 2.983 2.996 0.196 3 0 "[ . 1 . 2 .]" 1
110 1 30 ALA MB 1 31 ARG H . . 4.390 2.861 2.806 2.957 . 0 0 "[ . 1 . 2 .]" 1
111 1 31 ARG H 1 31 ARG HA . . 3.020 2.756 2.754 2.765 . 0 0 "[ . 1 . 2 .]" 1
112 1 31 ARG H 1 31 ARG HB2 . . 3.110 2.098 2.037 2.164 . 0 0 "[ . 1 . 2 .]" 1
113 1 31 ARG H 1 31 ARG HB3 . . 2.930 2.963 2.845 3.103 0.173 11 0 "[ . 1 . 2 .]" 1
114 1 31 ARG H 1 32 GLU H . . 3.140 2.642 2.623 2.647 . 0 0 "[ . 1 . 2 .]" 1
115 1 31 ARG HA 1 32 GLU H . . 3.730 3.556 3.554 3.568 . 0 0 "[ . 1 . 2 .]" 1
116 1 31 ARG HA 1 34 GLU H . . 3.170 3.286 3.284 3.307 0.137 3 0 "[ . 1 . 2 .]" 1
117 1 31 ARG HB2 1 32 GLU H . . 3.760 3.642 3.500 3.757 . 0 0 "[ . 1 . 2 .]" 1
118 1 31 ARG HB3 1 32 GLU H . . 3.270 3.004 2.941 3.099 . 0 0 "[ . 1 . 2 .]" 1
119 1 31 ARG QG 1 32 GLU H . . 6.380 4.451 4.291 4.684 . 0 0 "[ . 1 . 2 .]" 1
120 1 32 GLU H 1 32 GLU HA . . 3.080 2.850 2.850 2.851 . 0 0 "[ . 1 . 2 .]" 1
121 1 32 GLU H 1 32 GLU QB . . 3.870 2.138 2.063 2.521 . 0 0 "[ . 1 . 2 .]" 1
122 1 32 GLU H 1 33 ARG H . . 3.080 2.364 2.363 2.367 . 0 0 "[ . 1 . 2 .]" 1
123 1 32 GLU HA 1 33 ARG H . . 3.640 3.513 3.504 3.514 . 0 0 "[ . 1 . 2 .]" 1
124 1 32 GLU HA 1 35 ARG H . . 3.920 3.777 3.555 3.925 0.005 9 0 "[ . 1 . 2 .]" 1
125 1 32 GLU QB 1 33 ARG H . . 4.390 3.079 2.999 3.709 . 0 0 "[ . 1 . 2 .]" 1
126 1 32 GLU QG 1 33 ARG H . . 6.380 4.454 2.230 4.693 . 0 0 "[ . 1 . 2 .]" 1
127 1 33 ARG H 1 33 ARG HB2 . . 2.680 2.156 2.155 2.157 . 0 0 "[ . 1 . 2 .]" 1
128 1 33 ARG H 1 33 ARG HB3 . . 3.360 3.401 3.399 3.402 0.042 5 0 "[ . 1 . 2 .]" 1
129 1 33 ARG H 1 34 GLU H . . 2.990 2.225 2.221 2.226 . 0 0 "[ . 1 . 2 .]" 1
130 1 33 ARG HA 1 34 GLU H . . 4.110 3.543 3.542 3.544 . 0 0 "[ . 1 . 2 .]" 1
131 1 33 ARG HB2 1 34 GLU H . . 3.110 3.147 3.146 3.147 0.037 10 0 "[ . 1 . 2 .]" 1
132 1 33 ARG QG 1 34 GLU H . . 6.380 4.550 4.508 4.685 . 0 0 "[ . 1 . 2 .]" 1
133 1 34 GLU H 1 35 ARG H . . 3.210 2.598 2.440 2.711 . 0 0 "[ . 1 . 2 .]" 1
134 1 34 GLU HA 1 35 ARG H . . 4.660 3.482 3.147 3.533 . 0 0 "[ . 1 . 2 .]" 1
135 1 34 GLU HA 1 37 ALA H . . 2.860 2.859 2.839 2.862 0.002 14 0 "[ . 1 . 2 .]" 1
136 1 34 GLU QB 1 35 ARG H . . 4.550 3.101 2.946 3.687 . 0 0 "[ . 1 . 2 .]" 1
137 1 34 GLU QG 1 35 ARG H . . 6.380 4.505 4.141 4.723 . 0 0 "[ . 1 . 2 .]" 1
138 1 35 ARG H 1 35 ARG QB . . 2.830 2.097 2.001 2.549 . 0 0 "[ . 1 . 2 .]" 1
139 1 35 ARG H 1 35 ARG HG2 . . 4.660 4.241 2.866 4.631 . 0 0 "[ . 1 . 2 .]" 1
140 1 35 ARG H 1 35 ARG HG3 . . 5.500 4.030 1.948 4.448 . 0 0 "[ . 1 . 2 .]" 1
141 1 35 ARG H 1 36 LEU H . . 3.210 2.674 2.657 2.681 . 0 0 "[ . 1 . 2 .]" 1
142 1 35 ARG HA 1 36 LEU H . . 3.550 3.549 3.535 3.553 0.003 15 0 "[ . 1 . 2 .]" 1
143 1 35 ARG QB 1 36 LEU H . . 3.140 2.918 2.837 3.567 0.427 9 0 "[ . 1 . 2 .]" 1
144 1 36 LEU H 1 36 LEU HA . . 2.990 2.902 2.899 2.903 . 0 0 "[ . 1 . 2 .]" 1
145 1 36 LEU H 1 36 LEU HB2 . . 2.800 2.171 2.160 2.175 . 0 0 "[ . 1 . 2 .]" 1
146 1 36 LEU H 1 36 LEU HB3 . . 3.050 3.053 3.053 3.055 0.005 7 0 "[ . 1 . 2 .]" 1
147 1 36 LEU H 1 36 LEU HG . . 5.500 4.280 4.007 4.521 . 0 0 "[ . 1 . 2 .]" 1
148 1 36 LEU H 1 37 ALA H . . 3.210 2.249 2.244 2.267 . 0 0 "[ . 1 . 2 .]" 1
149 1 36 LEU HA 1 37 ALA H . . 3.360 3.430 3.429 3.431 0.071 5 0 "[ . 1 . 2 .]" 1
150 1 36 LEU HA 1 39 SER H . . 3.730 3.783 3.782 3.785 0.055 14 0 "[ . 1 . 2 .]" 1
151 1 36 LEU HB2 1 37 ALA H . . 3.420 3.792 3.791 3.793 0.373 19 0 "[ . 1 . 2 .]" 1
152 1 36 LEU HB3 1 37 ALA H . . 3.890 3.599 3.597 3.601 . 0 0 "[ . 1 . 2 .]" 1
153 1 36 LEU QD 1 37 ALA H . . 7.630 4.379 4.099 4.509 . 0 0 "[ . 1 . 2 .]" 1
154 1 37 ALA H 1 38 HIS H . . 3.170 2.565 2.564 2.567 . 0 0 "[ . 1 . 2 .]" 1
155 1 37 ALA HA 1 38 HIS H . . 3.080 3.265 3.265 3.266 0.186 25 0 "[ . 1 . 2 .]" 1
156 1 37 ALA HA 1 40 ARG H . . 4.230 3.235 3.234 3.238 . 0 0 "[ . 1 . 2 .]" 1
157 1 37 ALA HA 1 40 ARG QB . . 3.270 2.969 2.949 2.973 . 0 0 "[ . 1 . 2 .]" 1
158 1 37 ALA MB 1 38 HIS H . . 4.420 3.433 3.423 3.452 . 0 0 "[ . 1 . 2 .]" 1
159 1 37 ALA MB 1 39 SER H . . 5.230 4.487 4.486 4.489 . 0 0 "[ . 1 . 2 .]" 1
160 1 37 ALA MB 1 40 ARG H . . 6.400 4.371 4.362 4.382 . 0 0 "[ . 1 . 2 .]" 1
161 1 37 ALA MB 1 40 ARG QB . . 5.600 3.762 3.736 3.806 . 0 0 "[ . 1 . 2 .]" 1
162 1 38 HIS H 1 38 HIS HA . . 2.900 2.895 2.894 2.896 . 0 0 "[ . 1 . 2 .]" 1
163 1 38 HIS HA 1 39 SER H . . 3.580 3.416 3.415 3.416 . 0 0 "[ . 1 . 2 .]" 1
164 1 38 HIS HA 1 41 ALA H . . 4.110 3.905 3.899 3.952 . 0 0 "[ . 1 . 2 .]" 1
165 1 38 HIS HA 1 41 ALA MB . . 4.420 3.083 2.768 3.514 . 0 0 "[ . 1 . 2 .]" 1
166 1 38 HIS QB 1 39 SER H . . 4.520 3.321 3.279 3.794 . 0 0 "[ . 1 . 2 .]" 1
167 1 38 HIS QB 1 41 ALA MB . . 7.400 4.335 3.971 4.674 . 0 0 "[ . 1 . 2 .]" 1
168 1 39 SER HA 1 40 ARG H . . 3.480 3.482 3.479 3.483 0.003 24 0 "[ . 1 . 2 .]" 1
169 1 39 SER QB 1 40 ARG H . . 4.580 3.161 3.081 3.738 . 0 0 "[ . 1 . 2 .]" 1
170 1 40 ARG H 1 40 ARG HA . . 2.930 2.869 2.864 2.870 . 0 0 "[ . 1 . 2 .]" 1
171 1 40 ARG H 1 40 ARG QB . . 2.990 2.187 2.181 2.189 . 0 0 "[ . 1 . 2 .]" 1
172 1 40 ARG H 1 41 ALA H . . 3.110 2.608 2.605 2.625 . 0 0 "[ . 1 . 2 .]" 1
173 1 40 ARG HA 1 41 ALA H . . 3.170 3.185 3.184 3.185 0.015 18 0 "[ . 1 . 2 .]" 1
174 1 40 ARG QB 1 41 ALA H . . 3.110 3.624 3.623 3.625 0.515 22 25 [*************-*******+***] 1
175 1 41 ALA H 1 41 ALA HA . . 2.990 2.841 2.752 2.903 . 0 0 "[ . 1 . 2 .]" 1
176 1 41 ALA H 1 42 ALA H . . 3.450 2.738 2.373 3.434 . 0 0 "[ . 1 . 2 .]" 1
177 1 42 ALA H 1 42 ALA HA . . 2.930 2.819 2.682 2.903 . 0 0 "[ . 1 . 2 .]" 1
178 1 43 ALA H 1 43 ALA HA . . 2.900 2.822 2.679 2.900 0.000 16 0 "[ . 1 . 2 .]" 1
179 1 43 ALA H 1 44 ALA H . . 3.580 2.910 2.497 3.579 . 0 0 "[ . 1 . 2 .]" 1
180 1 44 ALA H 1 44 ALA HA . . 2.550 2.416 2.212 2.669 0.119 16 0 "[ . 1 . 2 .]" 1
181 1 44 ALA HA 1 47 VAL H . . 3.610 3.567 3.373 3.648 0.038 14 0 "[ . 1 . 2 .]" 1
182 1 44 ALA HA 1 47 VAL HB . . 3.140 3.060 2.661 3.140 0.000 1 0 "[ . 1 . 2 .]" 1
183 1 44 ALA HA 1 47 VAL MG1 . . 5.130 3.591 2.885 3.928 . 0 0 "[ . 1 . 2 .]" 1
184 1 44 ALA MB 1 47 VAL HB . . 5.630 3.446 2.338 4.353 . 0 0 "[ . 1 . 2 .]" 1
185 1 45 ALA H 1 46 ALA H . . 3.050 2.537 2.206 2.920 . 0 0 "[ . 1 . 2 .]" 1
186 1 46 ALA H 1 46 ALA HA . . 2.550 2.734 2.718 2.756 0.206 8 0 "[ . 1 . 2 .]" 1
187 1 46 ALA H 1 46 ALA MB . . 3.430 2.070 1.934 2.165 . 0 0 "[ . 1 . 2 .]" 1
188 1 46 ALA H 1 47 VAL H . . 3.080 2.764 2.715 2.797 . 0 0 "[ . 1 . 2 .]" 1
189 1 46 ALA HA 1 47 VAL H . . 3.330 3.503 3.482 3.515 0.185 7 0 "[ . 1 . 2 .]" 1
190 1 46 ALA MB 1 47 VAL H . . 3.990 3.008 2.944 3.109 . 0 0 "[ . 1 . 2 .]" 1
191 1 47 VAL H 1 47 VAL HA . . 2.900 2.912 2.903 2.919 0.019 7 0 "[ . 1 . 2 .]" 1
192 1 47 VAL H 1 47 VAL HB . . 2.740 2.118 2.090 2.144 . 0 0 "[ . 1 . 2 .]" 1
193 1 47 VAL H 1 47 VAL MG1 . . 3.920 3.315 3.306 3.330 . 0 0 "[ . 1 . 2 .]" 1
194 1 47 VAL H 1 48 ALA H . . 2.930 2.143 2.096 2.197 . 0 0 "[ . 1 . 2 .]" 1
195 1 47 VAL HA 1 48 ALA H . . 3.380 3.552 3.549 3.554 0.174 12 0 "[ . 1 . 2 .]" 1
196 1 47 VAL HA 1 50 ALA MB . . 4.480 2.346 1.969 3.563 . 0 0 "[ . 1 . 2 .]" 1
197 1 47 VAL HA 1 51 THR H . . 5.500 4.962 4.272 5.403 . 0 0 "[ . 1 . 2 .]" 1
198 1 47 VAL HB 1 48 ALA H . . 3.170 3.220 3.217 3.228 0.058 8 0 "[ . 1 . 2 .]" 1
199 1 47 VAL MG1 1 48 ALA H . . 6.220 2.937 2.892 3.010 . 0 0 "[ . 1 . 2 .]" 1
200 1 47 VAL MG1 1 51 THR H . . 6.530 4.857 3.841 5.203 . 0 0 "[ . 1 . 2 .]" 1
201 1 47 VAL MG2 1 48 ALA H . . 5.780 4.335 4.332 4.339 . 0 0 "[ . 1 . 2 .]" 1
202 1 47 VAL MG2 1 51 THR H . . 6.530 4.907 4.358 5.324 . 0 0 "[ . 1 . 2 .]" 1
203 1 48 ALA H 1 48 ALA HA . . 2.740 2.697 2.677 2.737 . 0 0 "[ . 1 . 2 .]" 1
204 1 48 ALA H 1 48 ALA MB . . 3.640 2.082 1.941 2.172 . 0 0 "[ . 1 . 2 .]" 1
205 1 49 ALA H 1 49 ALA HA . . 3.110 2.816 2.766 2.903 . 0 0 "[ . 1 . 2 .]" 1
206 1 50 ALA H 1 50 ALA HA . . 2.860 2.807 2.763 2.904 0.044 20 0 "[ . 1 . 2 .]" 1
207 1 50 ALA HA 1 51 THR H . . 2.990 2.757 2.191 3.117 0.127 20 0 "[ . 1 . 2 .]" 1
208 1 50 ALA MB 1 51 THR H . . 4.110 2.341 1.915 3.597 . 0 0 "[ . 1 . 2 .]" 1
209 1 51 THR H 1 51 THR HA . . 2.550 2.385 2.222 2.850 0.300 21 0 "[ . 1 . 2 .]" 1
210 1 51 THR MG 1 52 ALA H . . 5.660 3.687 2.280 4.377 . 0 0 "[ . 1 . 2 .]" 1
211 1 52 ALA H 1 52 ALA HA . . 2.730 2.714 2.679 2.730 . 0 0 "[ . 1 . 2 .]" 1
212 1 52 ALA H 1 52 ALA MB . . 3.640 2.034 1.939 2.167 . 0 0 "[ . 1 . 2 .]" 1
213 1 53 ALA H 1 53 ALA HA . . 2.770 2.888 2.888 2.889 0.119 12 0 "[ . 1 . 2 .]" 1
214 1 53 ALA H 1 54 VAL H . . 3.360 3.389 3.389 3.390 0.030 7 0 "[ . 1 . 2 .]" 1
215 1 53 ALA HA 1 54 VAL H . . 2.680 2.720 2.719 2.721 0.041 2 0 "[ . 1 . 2 .]" 1
216 1 53 ALA MB 1 54 VAL H . . 4.420 3.784 3.783 3.785 . 0 0 "[ . 1 . 2 .]" 1
217 1 53 ALA MB 1 55 GLU H . . 6.530 4.572 3.733 5.049 . 0 0 "[ . 1 . 2 .]" 1
218 1 54 VAL H 1 54 VAL HA . . 2.990 2.720 2.224 2.936 . 0 0 "[ . 1 . 2 .]" 1
219 1 54 VAL H 1 54 VAL HB . . 2.900 2.846 2.697 2.907 0.007 2 0 "[ . 1 . 2 .]" 1
220 1 54 VAL H 1 55 GLU H . . 2.960 2.924 2.802 3.026 0.066 7 0 "[ . 1 . 2 .]" 1
221 1 54 VAL HA 1 55 GLU H . . 2.680 2.648 2.541 2.785 0.105 7 0 "[ . 1 . 2 .]" 1
222 1 54 VAL QG 1 55 GLU H . . 6.820 3.624 3.538 3.711 . 0 0 "[ . 1 . 2 .]" 1
223 1 55 GLU H 1 55 GLU HA . . 2.960 2.843 2.653 2.918 . 0 0 "[ . 1 . 2 .]" 1
224 1 55 GLU H 1 55 GLU HB2 . . 3.020 2.504 2.073 3.002 . 0 0 "[ . 1 . 2 .]" 1
225 1 55 GLU H 1 55 GLU HB3 . . 2.930 2.818 2.461 3.012 0.082 17 0 "[ . 1 . 2 .]" 1
226 1 55 GLU HA 1 56 GLY H . . 2.710 2.444 2.312 2.695 . 0 0 "[ . 1 . 2 .]" 1
227 1 55 GLU HB2 1 56 GLY H . . 4.230 4.078 3.827 4.226 . 0 0 "[ . 1 . 2 .]" 1
228 1 55 GLU HB3 1 56 GLY H . . 3.860 3.448 2.641 4.071 0.211 3 0 "[ . 1 . 2 .]" 1
229 1 55 GLU QG 1 56 GLY H . . 6.380 2.052 1.883 2.372 . 0 0 "[ . 1 . 2 .]" 1
230 1 56 GLY H 1 57 THR H . . 3.210 2.962 2.362 3.205 . 0 0 "[ . 1 . 2 .]" 1
231 1 56 GLY QA 1 57 THR H . . 3.830 2.430 2.247 2.635 . 0 0 "[ . 1 . 2 .]" 1
232 1 57 THR H 1 57 THR HA . . 3.050 2.670 2.223 2.948 . 0 0 "[ . 1 . 2 .]" 1
233 1 57 THR HA 1 58 GLY H . . 3.170 2.350 2.150 2.805 . 0 0 "[ . 1 . 2 .]" 1
234 1 59 GLY QA 1 60 SER H . . 3.930 2.298 2.169 2.608 . 0 0 "[ . 1 . 2 .]" 1
235 1 60 SER HA 1 61 GLY H . . 3.270 2.376 2.215 2.584 . 0 0 "[ . 1 . 2 .]" 1
236 1 60 SER QB 1 61 GLY H . . 6.000 3.030 2.259 3.947 . 0 0 "[ . 1 . 2 .]" 1
237 1 63 GLY H 1 63 GLY HA2 . . 2.800 2.735 2.250 2.960 0.160 15 0 "[ . 1 . 2 .]" 1
238 1 63 GLY H 1 63 GLY HA3 . . 2.990 2.709 2.299 2.959 . 0 0 "[ . 1 . 2 .]" 1
239 1 64 PRO HA 1 65 HIS H . . 2.770 2.370 2.151 2.586 . 0 0 "[ . 1 . 2 .]" 1
240 1 64 PRO HB2 1 65 HIS H . . 4.720 3.091 2.357 4.385 . 0 0 "[ . 1 . 2 .]" 1
241 1 64 PRO QD 1 65 HIS H . . 6.380 4.912 4.344 5.037 . 0 0 "[ . 1 . 2 .]" 1
242 1 64 PRO QG 1 65 HIS H . . 6.380 4.559 4.135 5.002 . 0 0 "[ . 1 . 2 .]" 1
243 1 65 HIS H 1 65 HIS HB2 . . 3.920 3.120 2.048 3.913 . 0 0 "[ . 1 . 2 .]" 1
244 1 65 HIS H 1 65 HIS HB3 . . 3.270 3.072 2.339 3.734 0.464 2 0 "[ . 1 . 2 .]" 1
245 1 66 HIS H 1 66 HIS HA . . 2.650 2.626 2.201 2.807 0.157 5 0 "[ . 1 . 2 .]" 1
246 1 66 HIS H 1 66 HIS HB2 . . 3.080 2.593 2.023 3.342 0.262 3 0 "[ . 1 . 2 .]" 1
247 1 66 HIS H 1 66 HIS HB3 . . 3.330 3.009 2.054 3.498 0.168 15 0 "[ . 1 . 2 .]" 1
248 1 67 HIS H 1 67 HIS HA . . 2.960 2.775 2.193 2.932 . 0 0 "[ . 1 . 2 .]" 1
249 1 67 HIS H 1 67 HIS HB2 . . 4.010 2.942 2.166 3.660 . 0 0 "[ . 1 . 2 .]" 1
250 1 67 HIS H 1 67 HIS HB3 . . 3.640 3.195 2.350 3.928 0.288 2 0 "[ . 1 . 2 .]" 1
251 1 68 HIS H 1 68 HIS HA . . 2.550 2.468 2.192 2.655 0.105 24 0 "[ . 1 . 2 .]" 1
252 1 68 HIS HA 1 69 GLN H . . 2.520 2.272 2.186 2.502 . 0 0 "[ . 1 . 2 .]" 1
253 1 68 HIS QB 1 69 GLN H . . 4.670 3.544 2.577 3.978 . 0 0 "[ . 1 . 2 .]" 1
254 1 69 GLN H 1 69 GLN HB2 . . 3.610 2.944 2.137 3.606 . 0 0 "[ . 1 . 2 .]" 1
255 1 69 GLN H 1 69 GLN HB3 . . 3.080 2.854 2.418 3.518 0.438 14 0 "[ . 1 . 2 .]" 1
256 1 69 GLN HA 1 70 THR H . . 2.960 2.642 2.457 2.917 . 0 0 "[ . 1 . 2 .]" 1
257 1 69 GLN HB2 1 70 THR H . . 3.790 3.463 2.231 3.892 0.102 8 0 "[ . 1 . 2 .]" 1
258 1 69 GLN HB3 1 70 THR H . . 3.860 3.195 2.335 3.812 . 0 0 "[ . 1 . 2 .]" 1
259 1 69 GLN QG 1 70 THR H . . 6.380 2.216 1.813 3.397 . 0 0 "[ . 1 . 2 .]" 1
260 1 69 GLN QG 1 71 ARG H . . 6.380 5.535 4.836 5.732 . 0 0 "[ . 1 . 2 .]" 1
261 1 70 THR H 1 70 THR HA . . 2.800 2.821 2.762 2.872 0.072 24 0 "[ . 1 . 2 .]" 1
262 1 70 THR H 1 70 THR HB . . 3.270 2.853 2.240 3.412 0.142 19 0 "[ . 1 . 2 .]" 1
263 1 70 THR HA 1 71 ARG H . . 2.960 2.494 2.157 2.871 . 0 0 "[ . 1 . 2 .]" 1
264 1 70 THR HB 1 71 ARG H . . 3.640 3.480 2.329 3.649 0.009 8 0 "[ . 1 . 2 .]" 1
265 1 70 THR MG 1 71 ARG H . . 6.530 2.244 1.789 3.846 . 0 0 "[ . 1 . 2 .]" 1
266 1 71 ARG H 1 71 ARG HA . . 2.770 2.659 2.159 2.767 . 0 0 "[ . 1 . 2 .]" 1
267 1 71 ARG H 1 71 ARG HB2 . . 3.670 2.938 2.022 3.559 . 0 0 "[ . 1 . 2 .]" 1
268 1 71 ARG H 1 71 ARG HB3 . . 3.170 3.156 2.372 3.665 0.495 9 0 "[ . 1 . 2 .]" 1
269 1 71 ARG HA 1 72 GLY H . . 2.680 2.339 2.226 2.576 . 0 0 "[ . 1 . 2 .]" 1
270 1 71 ARG QD 1 72 GLY H . . 6.380 4.477 2.685 5.576 . 0 0 "[ . 1 . 2 .]" 1
271 1 72 GLY H 1 73 ALA H . . 3.700 3.104 2.368 3.690 . 0 0 "[ . 1 . 2 .]" 1
272 1 72 GLY QA 1 73 ALA H . . 3.870 2.370 2.170 2.604 . 0 0 "[ . 1 . 2 .]" 1
273 1 73 ALA HA 1 74 TYR H . . 2.800 2.333 2.186 2.553 . 0 0 "[ . 1 . 2 .]" 1
274 1 73 ALA MB 1 74 TYR H . . 5.100 3.250 2.316 3.784 . 0 0 "[ . 1 . 2 .]" 1
275 1 74 TYR H 1 74 TYR QB . . 3.360 2.305 1.947 2.762 . 0 0 "[ . 1 . 2 .]" 1
276 1 74 TYR HA 1 75 SER H . . 2.830 2.301 2.189 2.835 0.005 16 0 "[ . 1 . 2 .]" 1
277 1 74 TYR QB 1 75 SER H . . 3.860 3.485 2.393 4.094 0.234 1 0 "[ . 1 . 2 .]" 1
278 1 76 SER H 1 76 SER HA . . 2.900 2.637 2.169 2.897 . 0 0 "[ . 1 . 2 .]" 1
279 1 76 SER HA 1 77 HIS H . . 3.140 2.317 2.222 2.575 . 0 0 "[ . 1 . 2 .]" 1
280 1 77 HIS H 1 77 HIS HB2 . . 3.980 3.021 2.230 3.822 . 0 0 "[ . 1 . 2 .]" 1
281 1 77 HIS H 1 77 HIS HB3 . . 3.670 3.379 2.379 3.925 0.255 5 0 "[ . 1 . 2 .]" 1
282 1 77 HIS HA 1 78 ASP H . . 3.330 2.308 2.186 2.554 . 0 0 "[ . 1 . 2 .]" 1
283 1 77 HIS HB3 1 78 ASP H . . 3.980 3.974 3.098 4.575 0.595 6 2 "[ .+ 1 - . 2 .]" 1
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