NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444869 |
2kio   |
16284 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kio
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 464
_Distance_constraint_stats_list.Viol_count 1879
_Distance_constraint_stats_list.Viol_total 3779.106
_Distance_constraint_stats_list.Viol_max 0.500
_Distance_constraint_stats_list.Viol_rms 0.0541
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0204
_Distance_constraint_stats_list.Viol_average_violations_only 0.1006
_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 0.561 0.180 9 0 "[ . 1 . 2]"
1 2 GLU 3.983 0.233 8 0 "[ . 1 . 2]"
1 3 LEU 4.509 0.251 12 0 "[ . 1 . 2]"
1 4 ASP 4.211 0.233 8 0 "[ . 1 . 2]"
1 5 VAL 3.436 0.160 17 0 "[ . 1 . 2]"
1 6 PRO 9.244 0.407 19 0 "[ . 1 . 2]"
1 7 GLU 11.810 0.407 19 0 "[ . 1 . 2]"
1 8 GLN 8.753 0.404 4 0 "[ . 1 . 2]"
1 9 VAL 18.365 0.385 17 0 "[ . 1 . 2]"
1 10 ASP 9.472 0.181 15 0 "[ . 1 . 2]"
1 11 LYS 12.198 0.344 14 0 "[ . 1 . 2]"
1 12 LEU 22.208 0.289 20 0 "[ . 1 . 2]"
1 13 ILE 20.092 0.414 16 0 "[ . 1 . 2]"
1 14 GLN 15.670 0.414 16 0 "[ . 1 . 2]"
1 15 GLN 17.119 0.328 12 0 "[ . 1 . 2]"
1 16 ALA 7.163 0.328 12 0 "[ . 1 . 2]"
1 17 THR 2.888 0.328 12 0 "[ . 1 . 2]"
1 18 SER 11.822 0.338 11 0 "[ . 1 . 2]"
1 19 ILE 25.930 0.367 14 0 "[ . 1 . 2]"
1 20 GLU 6.636 0.281 19 0 "[ . 1 . 2]"
1 21 ARG 5.252 0.338 11 0 "[ . 1 . 2]"
1 22 LEU 38.349 0.500 14 1 "[ . 1 +. 2]"
1 23 CYS 6.694 0.303 10 0 "[ . 1 . 2]"
1 24 GLN 0.508 0.068 19 0 "[ . 1 . 2]"
1 25 HIS 0.843 0.090 5 0 "[ . 1 . 2]"
1 26 TYR 9.997 0.270 18 0 "[ . 1 . 2]"
1 27 ILE 7.745 0.377 7 0 "[ . 1 . 2]"
1 28 GLY 0.107 0.022 16 0 "[ . 1 . 2]"
1 29 TRP 3.949 0.135 19 0 "[ . 1 . 2]"
1 30 CYS 1.360 0.152 10 0 "[ . 1 . 2]"
1 31 PRO 2.405 0.152 10 0 "[ . 1 . 2]"
1 32 PHE 2.332 0.117 7 0 "[ . 1 . 2]"
1 33 TRP 12.757 0.291 19 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 QB 1 3 LEU H 5.500 . 5.500 5.197 3.910 5.680 0.180 9 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 2 GLU HB2 2.800 . 2.800 2.773 2.483 3.006 0.206 17 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 2 GLU QB 2.800 . 2.800 2.358 2.189 2.546 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HA 1 3 LEU H 2.800 . 2.800 2.191 2.102 2.540 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HA 1 3 LEU HG 4.500 . 4.500 2.729 2.299 3.659 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU HA 1 4 ASP H 2.800 . 2.800 2.903 2.755 3.033 0.233 8 0 "[ . 1 . 2]" 1
7 1 2 GLU QB 1 3 LEU H 4.500 . 4.500 3.566 2.419 3.863 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLU QB 1 4 ASP H 4.500 . 4.500 2.595 2.294 2.971 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU QB 1 4 ASP HB2 4.500 . 4.500 4.431 4.083 4.558 0.058 4 0 "[ . 1 . 2]" 1
10 1 2 GLU QB 1 4 ASP HB3 4.500 . 4.500 3.756 2.879 4.499 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 3 LEU QB 2.800 . 2.800 2.209 2.107 2.302 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 3 LEU QB 3.500 . 3.500 2.182 2.084 2.277 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 3 LEU QD 4.500 . 4.500 3.155 1.787 3.749 0.013 20 0 "[ . 1 . 2]" 1
14 1 3 LEU H 1 3 LEU HG 4.500 . 4.500 3.855 2.876 4.378 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HA 1 3 LEU QB . . 2.800 2.467 2.346 2.550 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 3 LEU MD1 3.500 . 3.500 2.537 2.082 3.751 0.251 12 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 3 LEU QD 2.800 . 2.800 2.220 1.946 2.452 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU QB 1 3 LEU QD 2.800 . 2.800 1.941 1.904 2.056 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU QB 1 4 ASP H 3.500 . 3.500 3.449 3.127 3.639 0.139 2 0 "[ . 1 . 2]" 1
20 1 4 ASP H 1 4 ASP QB 2.800 . 2.800 2.688 2.458 2.872 0.072 7 0 "[ . 1 . 2]" 1
21 1 4 ASP H 1 4 ASP HB2 3.500 . 3.500 3.404 3.202 3.540 0.040 7 0 "[ . 1 . 2]" 1
22 1 4 ASP H 1 4 ASP HB3 3.500 . 3.500 2.748 2.489 2.949 . 0 0 "[ . 1 . 2]" 1
23 1 4 ASP H 1 5 VAL QG 4.500 . 4.500 4.264 3.601 4.597 0.097 9 0 "[ . 1 . 2]" 1
24 1 4 ASP HA 1 4 ASP QB 2.800 . 2.800 2.198 2.188 2.204 . 0 0 "[ . 1 . 2]" 1
25 1 4 ASP HA 1 5 VAL H 2.800 . 2.800 2.453 2.190 2.874 0.074 4 0 "[ . 1 . 2]" 1
26 1 4 ASP HA 1 5 VAL QG 4.500 . 4.500 3.891 3.340 4.506 0.006 18 0 "[ . 1 . 2]" 1
27 1 4 ASP HA 1 6 PRO QD 4.500 . 4.500 2.602 2.320 3.153 . 0 0 "[ . 1 . 2]" 1
28 1 4 ASP QB 1 5 VAL H 4.500 . 4.500 3.839 3.381 4.061 . 0 0 "[ . 1 . 2]" 1
29 1 4 ASP QB 1 6 PRO QD 4.500 . 4.500 3.285 2.333 4.176 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL H 1 5 VAL HA . . 2.800 2.874 2.735 2.960 0.160 17 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 5 VAL HB 2.800 . 2.800 2.650 2.287 2.850 0.050 9 0 "[ . 1 . 2]" 1
32 1 5 VAL H 1 5 VAL QG 2.800 . 2.800 2.024 1.792 2.544 0.008 12 0 "[ . 1 . 2]" 1
33 1 5 VAL H 1 6 PRO QD . . 3.500 2.006 1.755 2.396 0.045 17 0 "[ . 1 . 2]" 1
34 1 5 VAL HA 1 5 VAL QG . . 2.800 2.092 2.049 2.124 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HA 1 6 PRO QD 3.500 . 3.500 3.513 3.485 3.544 0.044 16 0 "[ . 1 . 2]" 1
36 1 5 VAL HA 1 6 PRO QG 5.500 . 5.500 5.252 5.118 5.328 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL HB 1 6 PRO QD 2.800 . 2.800 2.234 2.037 2.293 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL QG 1 6 PRO QD 3.500 . 3.500 2.734 2.236 3.035 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL QG 1 6 PRO QD . . 2.800 2.664 2.218 2.950 0.150 18 0 "[ . 1 . 2]" 1
40 1 5 VAL MG1 1 6 PRO HA 3.500 . 3.500 3.187 2.230 3.550 0.050 15 0 "[ . 1 . 2]" 1
41 1 5 VAL MG1 1 7 GLU H 5.500 . 5.500 3.755 3.329 4.282 . 0 0 "[ . 1 . 2]" 1
42 1 6 PRO HA 1 6 PRO QG 3.500 . 3.500 2.909 2.595 3.490 . 0 0 "[ . 1 . 2]" 1
43 1 6 PRO HA 1 7 GLU H 2.800 . 2.800 2.249 2.141 2.674 . 0 0 "[ . 1 . 2]" 1
44 1 6 PRO HA 1 9 VAL H 5.500 . 5.500 4.037 3.392 4.496 . 0 0 "[ . 1 . 2]" 1
45 1 6 PRO HA 1 9 VAL HB 3.500 . 3.500 3.568 2.670 3.885 0.385 17 0 "[ . 1 . 2]" 1
46 1 6 PRO HA 1 9 VAL MG2 4.500 . 4.500 3.479 2.239 4.491 . 0 0 "[ . 1 . 2]" 1
47 1 6 PRO QB 1 6 PRO QD . . 3.500 2.735 2.592 3.023 . 0 0 "[ . 1 . 2]" 1
48 1 6 PRO QB 1 7 GLU H . . 3.500 3.620 2.741 3.907 0.407 19 0 "[ . 1 . 2]" 1
49 1 6 PRO QB 1 9 VAL H . . 4.500 3.551 2.765 4.060 . 0 0 "[ . 1 . 2]" 1
50 1 6 PRO QB 1 9 VAL QG 4.500 . 4.500 1.974 1.873 2.162 . 0 0 "[ . 1 . 2]" 1
51 1 6 PRO QB 1 9 VAL MG2 3.500 . 3.500 2.072 2.025 2.369 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO HB2 1 8 GLN H 3.500 . 3.500 2.598 1.776 3.265 0.024 4 0 "[ . 1 . 2]" 1
53 1 6 PRO QD 1 7 GLU H 5.500 . 5.500 4.729 4.120 4.976 . 0 0 "[ . 1 . 2]" 1
54 1 6 PRO QD 1 9 VAL HB 5.500 . 5.500 4.668 2.631 5.199 . 0 0 "[ . 1 . 2]" 1
55 1 6 PRO QD 1 9 VAL MG2 4.500 . 4.500 4.525 2.359 4.759 0.259 12 0 "[ . 1 . 2]" 1
56 1 6 PRO QG 1 9 VAL QG 4.500 . 4.500 2.929 1.992 3.258 . 0 0 "[ . 1 . 2]" 1
57 1 6 PRO QG 1 9 VAL MG2 3.500 . 3.500 3.241 2.208 3.554 0.054 14 0 "[ . 1 . 2]" 1
58 1 6 PRO HG3 1 7 GLU H 2.800 . 2.800 2.442 2.251 2.886 0.086 2 0 "[ . 1 . 2]" 1
59 1 7 GLU H 1 7 GLU HA . . 2.800 2.939 2.891 2.956 0.156 12 0 "[ . 1 . 2]" 1
60 1 7 GLU H 1 7 GLU QB 2.800 . 2.800 2.447 2.253 2.907 0.107 2 0 "[ . 1 . 2]" 1
61 1 7 GLU H 1 7 GLU QG . . 4.500 3.118 1.937 4.026 . 0 0 "[ . 1 . 2]" 1
62 1 7 GLU HA 1 7 GLU QB 2.800 . 2.800 2.346 2.176 2.554 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLU HA 1 7 GLU QG . . 3.500 2.591 2.285 3.444 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU HA 1 8 GLN H 2.800 . 2.800 2.727 2.700 2.756 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLU HA 1 9 VAL H 2.800 . 2.800 3.027 2.987 3.104 0.304 4 0 "[ . 1 . 2]" 1
66 1 7 GLU HA 1 10 ASP H . . 3.500 3.301 3.137 3.510 0.010 12 0 "[ . 1 . 2]" 1
67 1 7 GLU HA 1 10 ASP QB 2.800 . 2.800 2.812 2.690 2.862 0.062 19 0 "[ . 1 . 2]" 1
68 1 7 GLU QB 1 7 GLU HG3 2.800 . 2.800 2.351 2.188 2.503 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU QB 1 10 ASP QB 4.500 . 4.500 4.438 4.043 4.626 0.126 9 0 "[ . 1 . 2]" 1
70 1 7 GLU HB2 1 8 GLN H 2.800 . 2.800 2.304 1.888 2.686 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLN H 1 8 GLN QB 3.500 . 3.500 2.540 2.420 2.768 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLN H 1 8 GLN QG . . 4.500 2.606 1.776 3.280 0.024 4 0 "[ . 1 . 2]" 1
73 1 8 GLN H 1 9 VAL H 2.800 . 2.800 2.654 2.562 2.729 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLN H 1 9 VAL QG 4.500 . 4.500 4.253 4.012 4.439 . 0 0 "[ . 1 . 2]" 1
75 1 8 GLN HA 1 8 GLN QB . . 2.800 2.378 2.180 2.433 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLN HA 1 8 GLN QG . . 2.800 2.520 2.307 3.204 0.404 4 0 "[ . 1 . 2]" 1
77 1 8 GLN HA 1 9 VAL H 4.500 . 4.500 3.322 3.291 3.345 . 0 0 "[ . 1 . 2]" 1
78 1 8 GLN HA 1 11 LYS H 3.500 . 3.500 3.549 3.369 3.654 0.154 17 0 "[ . 1 . 2]" 1
79 1 8 GLN HA 1 11 LYS QB . . 3.500 2.376 2.315 2.484 . 0 0 "[ . 1 . 2]" 1
80 1 8 GLN HA 1 11 LYS QD . . 3.500 3.307 2.613 3.595 0.095 9 0 "[ . 1 . 2]" 1
81 1 8 GLN HA 1 11 LYS QG . . 4.500 3.518 2.315 4.346 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLN QB 1 9 VAL H 3.500 . 3.500 3.174 3.028 3.527 0.027 4 0 "[ . 1 . 2]" 1
83 1 8 GLN QB 1 12 LEU MD2 . . 2.800 2.920 2.852 3.002 0.202 4 0 "[ . 1 . 2]" 1
84 1 9 VAL H 1 9 VAL HA 2.800 . 2.800 2.921 2.891 2.942 0.142 17 0 "[ . 1 . 2]" 1
85 1 9 VAL H 1 9 VAL HB 2.800 . 2.800 2.211 2.085 2.356 . 0 0 "[ . 1 . 2]" 1
86 1 9 VAL H 1 9 VAL QG 2.800 . 2.800 2.669 2.480 2.782 . 0 0 "[ . 1 . 2]" 1
87 1 9 VAL H 1 9 VAL MG1 2.800 . 2.800 2.323 2.134 2.494 . 0 0 "[ . 1 . 2]" 1
88 1 9 VAL H 1 9 VAL MG2 2.800 . 2.800 2.749 2.518 2.889 0.089 17 0 "[ . 1 . 2]" 1
89 1 9 VAL H 1 10 ASP H 2.800 . 2.800 2.653 2.613 2.738 . 0 0 "[ . 1 . 2]" 1
90 1 9 VAL HA 1 9 VAL MG1 2.800 . 2.800 2.573 2.409 2.683 . 0 0 "[ . 1 . 2]" 1
91 1 9 VAL HA 1 9 VAL QG 2.800 . 2.800 2.085 2.068 2.143 . 0 0 "[ . 1 . 2]" 1
92 1 9 VAL HA 1 9 VAL MG2 2.800 . 2.800 2.209 2.171 2.373 . 0 0 "[ . 1 . 2]" 1
93 1 9 VAL HA 1 10 ASP H 3.500 . 3.500 3.558 3.531 3.577 0.077 17 0 "[ . 1 . 2]" 1
94 1 9 VAL HA 1 11 LYS H 5.500 . 5.500 4.349 4.099 4.509 . 0 0 "[ . 1 . 2]" 1
95 1 9 VAL HA 1 12 LEU H 3.500 . 3.500 3.347 3.261 3.398 . 0 0 "[ . 1 . 2]" 1
96 1 9 VAL HA 1 12 LEU HB2 3.500 . 3.500 2.281 2.231 2.325 . 0 0 "[ . 1 . 2]" 1
97 1 9 VAL HA 1 12 LEU HB3 3.500 . 3.500 3.673 3.635 3.724 0.224 9 0 "[ . 1 . 2]" 1
98 1 9 VAL HA 1 12 LEU HG 4.500 . 4.500 3.435 3.348 3.498 . 0 0 "[ . 1 . 2]" 1
99 1 9 VAL HA 1 13 ILE H 2.800 . 2.800 2.712 2.687 2.738 . 0 0 "[ . 1 . 2]" 1
100 1 9 VAL HB 1 10 ASP H 2.800 . 2.800 2.218 1.923 2.427 . 0 0 "[ . 1 . 2]" 1
101 1 9 VAL QG 1 10 ASP H 3.500 . 3.500 2.360 2.152 2.541 . 0 0 "[ . 1 . 2]" 1
102 1 9 VAL MG1 1 10 ASP HA 3.500 . 3.500 2.985 2.929 3.069 . 0 0 "[ . 1 . 2]" 1
103 1 9 VAL MG1 1 10 ASP HA 3.500 . 3.500 2.853 2.810 2.906 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL MG1 1 10 ASP QB 3.500 . 3.500 3.478 3.286 3.644 0.144 9 0 "[ . 1 . 2]" 1
105 1 9 VAL MG2 1 10 ASP H 4.500 . 4.500 3.797 3.612 3.926 . 0 0 "[ . 1 . 2]" 1
106 1 10 ASP H 1 10 ASP HA 2.800 . 2.800 2.781 2.763 2.807 0.007 17 0 "[ . 1 . 2]" 1
107 1 10 ASP H 1 10 ASP QB 2.800 . 2.800 2.262 2.181 2.295 . 0 0 "[ . 1 . 2]" 1
108 1 10 ASP H 1 11 LYS H . . 2.800 2.892 2.840 2.937 0.137 1 0 "[ . 1 . 2]" 1
109 1 10 ASP HA 1 10 ASP QB 2.800 . 2.800 2.352 2.312 2.532 . 0 0 "[ . 1 . 2]" 1
110 1 10 ASP HA 1 11 LYS H 3.500 . 3.500 3.558 3.540 3.571 0.071 17 0 "[ . 1 . 2]" 1
111 1 10 ASP HA 1 13 ILE H 3.500 . 3.500 3.507 3.435 3.550 0.050 11 0 "[ . 1 . 2]" 1
112 1 10 ASP HA 1 13 ILE HB . . 2.800 2.335 2.291 2.405 . 0 0 "[ . 1 . 2]" 1
113 1 10 ASP HA 1 13 ILE MD 3.500 . 3.500 2.747 2.567 2.911 . 0 0 "[ . 1 . 2]" 1
114 1 10 ASP HA 1 13 ILE HG12 4.500 . 4.500 4.515 4.444 4.564 0.064 4 0 "[ . 1 . 2]" 1
115 1 10 ASP HA 1 13 ILE HG13 . . 4.500 3.093 3.021 3.135 . 0 0 "[ . 1 . 2]" 1
116 1 10 ASP HA 1 13 ILE MG 3.500 . 3.500 3.630 3.597 3.681 0.181 15 0 "[ . 1 . 2]" 1
117 1 10 ASP QB 1 11 LYS H . . 2.800 2.560 2.398 2.806 0.006 12 0 "[ . 1 . 2]" 1
118 1 11 LYS H 1 11 LYS HA . . 2.800 2.868 2.839 2.891 0.091 7 0 "[ . 1 . 2]" 1
119 1 11 LYS H 1 11 LYS QB 2.800 . 2.800 2.278 2.063 2.549 . 0 0 "[ . 1 . 2]" 1
120 1 11 LYS H 1 11 LYS QD 4.500 . 4.500 3.162 1.800 4.463 . 15 0 "[ . 1 . 2]" 1
121 1 11 LYS H 1 11 LYS QG . . 3.500 3.182 2.177 3.754 0.254 18 0 "[ . 1 . 2]" 1
122 1 11 LYS H 1 12 LEU H 2.800 . 2.800 2.678 2.462 2.801 0.001 4 0 "[ . 1 . 2]" 1
123 1 11 LYS H 1 12 LEU QD 5.500 . 5.500 4.108 3.937 4.211 . 0 0 "[ . 1 . 2]" 1
124 1 11 LYS H 1 14 GLN HB2 5.500 . 5.500 4.540 4.442 4.633 . 0 0 "[ . 1 . 2]" 1
125 1 11 LYS HA 1 11 LYS QB 2.800 . 2.800 2.426 2.251 2.563 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS HA 1 11 LYS QD . . 3.500 3.183 2.352 3.844 0.344 14 0 "[ . 1 . 2]" 1
127 1 11 LYS HA 1 11 LYS QG . . 3.500 2.348 2.149 2.658 . 0 0 "[ . 1 . 2]" 1
128 1 11 LYS HA 1 12 LEU H . . 3.500 3.563 3.556 3.571 0.071 11 0 "[ . 1 . 2]" 1
129 1 11 LYS HA 1 14 GLN H . . 4.500 3.549 3.450 3.732 . 0 0 "[ . 1 . 2]" 1
130 1 11 LYS HA 1 14 GLN HB2 4.500 . 4.500 2.300 2.272 2.328 . 0 0 "[ . 1 . 2]" 1
131 1 11 LYS HA 1 14 GLN HB3 3.500 . 3.500 3.639 3.609 3.692 0.192 9 0 "[ . 1 . 2]" 1
132 1 11 LYS HA 1 14 GLN QG 4.500 . 4.500 3.851 3.062 4.179 . 0 0 "[ . 1 . 2]" 1
133 1 11 LYS QB 1 12 LEU H 3.500 . 3.500 2.427 2.211 2.566 . 0 0 "[ . 1 . 2]" 1
134 1 11 LYS QB 1 12 LEU H 2.800 . 2.800 1.988 1.920 2.026 . 0 0 "[ . 1 . 2]" 1
135 1 11 LYS QB 1 12 LEU QD 4.500 . 4.500 2.653 2.461 3.063 . 0 0 "[ . 1 . 2]" 1
136 1 11 LYS QD 1 12 LEU H 3.500 . 3.500 3.329 3.247 3.399 . 0 0 "[ . 1 . 2]" 1
137 1 11 LYS QE 1 11 LYS QG . . 3.500 2.339 2.120 2.523 . 0 0 "[ . 1 . 2]" 1
138 1 12 LEU H 1 12 LEU HA . . 2.800 2.821 2.812 2.832 0.032 4 0 "[ . 1 . 2]" 1
139 1 12 LEU H 1 12 LEU HB2 2.800 . 2.800 2.115 2.095 2.134 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU H 1 12 LEU HB3 3.500 . 3.500 3.466 3.454 3.481 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU H 1 12 LEU QD 3.500 . 3.500 2.076 2.033 2.126 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU H 1 12 LEU MD2 2.800 . 2.800 2.082 2.038 2.132 . 0 0 "[ . 1 . 2]" 1
143 1 12 LEU H 1 12 LEU HG 3.500 . 3.500 3.598 3.584 3.609 0.109 12 0 "[ . 1 . 2]" 1
144 1 12 LEU H 1 13 ILE H 2.800 . 2.800 2.838 2.817 2.849 0.049 2 0 "[ . 1 . 2]" 1
145 1 12 LEU HA 1 12 LEU HB2 . . 2.800 2.957 2.953 2.961 0.161 20 0 "[ . 1 . 2]" 1
146 1 12 LEU HA 1 12 LEU HB3 . . 2.800 2.705 2.699 2.713 . 0 0 "[ . 1 . 2]" 1
147 1 12 LEU HA 1 12 LEU MD1 . . 2.800 2.437 2.397 2.495 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU HA 1 12 LEU MD2 2.800 . 2.800 2.135 2.118 2.149 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU HA 1 12 LEU HG 4.500 . 4.500 3.637 3.633 3.649 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU HA 1 13 ILE H . . 3.500 3.573 3.559 3.581 0.081 16 0 "[ . 1 . 2]" 1
151 1 12 LEU HA 1 15 GLN H 2.800 . 2.800 3.027 2.991 3.089 0.289 20 0 "[ . 1 . 2]" 1
152 1 12 LEU HA 1 15 GLN H 5.500 . 5.500 3.302 3.222 3.476 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU HA 1 15 GLN HB2 4.500 . 4.500 2.248 2.222 2.291 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU HA 1 15 GLN HB3 3.500 . 3.500 3.640 3.599 3.673 0.173 15 0 "[ . 1 . 2]" 1
155 1 12 LEU HB2 1 12 LEU MD1 3.500 . 3.500 3.142 3.133 3.149 . 0 0 "[ . 1 . 2]" 1
156 1 12 LEU HB2 1 12 LEU QD 2.800 . 2.800 2.525 2.510 2.548 . 0 0 "[ . 1 . 2]" 1
157 1 12 LEU HB2 1 12 LEU MD2 2.800 . 2.800 2.661 2.638 2.697 . 0 0 "[ . 1 . 2]" 1
158 1 12 LEU HB2 1 12 LEU HG 2.800 . 2.800 2.301 2.296 2.309 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU HB2 1 13 ILE H 3.500 . 3.500 2.513 2.470 2.595 . 0 0 "[ . 1 . 2]" 1
160 1 12 LEU HB3 1 12 LEU QD 2.800 . 2.800 2.194 2.169 2.213 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU HB3 1 13 ILE H 3.500 . 3.500 2.932 2.888 3.048 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU HB3 1 13 ILE H 2.800 . 2.800 1.973 1.938 2.023 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU MD2 1 13 ILE H 4.500 . 4.500 4.198 4.177 4.219 . 0 0 "[ . 1 . 2]" 1
164 1 13 ILE H 1 13 ILE HA 2.800 . 2.800 2.706 2.694 2.725 . 0 0 "[ . 1 . 2]" 1
165 1 13 ILE H 1 13 ILE HB 2.800 . 2.800 2.512 2.441 2.555 . 0 0 "[ . 1 . 2]" 1
166 1 13 ILE H 1 13 ILE HB 2.800 . 2.800 2.054 2.011 2.132 . 0 0 "[ . 1 . 2]" 1
167 1 13 ILE H 1 13 ILE MD 3.500 . 3.500 3.640 3.613 3.672 0.172 13 0 "[ . 1 . 2]" 1
168 1 13 ILE H 1 13 ILE MD 3.500 . 3.500 3.288 3.271 3.304 . 0 0 "[ . 1 . 2]" 1
169 1 13 ILE H 1 13 ILE HG12 2.800 . 2.800 2.942 2.904 2.979 0.179 2 0 "[ . 1 . 2]" 1
170 1 13 ILE H 1 13 ILE HG12 4.500 . 4.500 2.912 2.877 2.947 . 0 0 "[ . 1 . 2]" 1
171 1 13 ILE H 1 13 ILE HG13 3.500 . 3.500 2.001 1.963 2.047 . 0 0 "[ . 1 . 2]" 1
172 1 13 ILE H 1 13 ILE MG 2.800 . 2.800 2.904 2.850 2.960 0.160 16 0 "[ . 1 . 2]" 1
173 1 13 ILE HA 1 13 ILE MD 3.500 . 3.500 3.646 3.615 3.657 0.157 9 0 "[ . 1 . 2]" 1
174 1 13 ILE HA 1 13 ILE MD 2.800 . 2.800 2.404 2.366 2.428 . 0 0 "[ . 1 . 2]" 1
175 1 13 ILE HA 1 13 ILE HG12 3.500 . 3.500 2.338 2.309 2.364 . 0 0 "[ . 1 . 2]" 1
176 1 13 ILE HA 1 13 ILE HG13 . . 3.500 3.191 3.152 3.229 . 0 0 "[ . 1 . 2]" 1
177 1 13 ILE HA 1 13 ILE MG 2.800 . 2.800 2.438 2.397 2.467 . 0 0 "[ . 1 . 2]" 1
178 1 13 ILE HA 1 14 GLN H 3.500 . 3.500 3.561 3.549 3.576 0.076 13 0 "[ . 1 . 2]" 1
179 1 13 ILE HA 1 15 GLN H 5.500 . 5.500 4.201 3.672 4.430 . 0 0 "[ . 1 . 2]" 1
180 1 13 ILE HA 1 16 ALA H 4.500 . 4.500 3.261 2.812 3.804 . 0 0 "[ . 1 . 2]" 1
181 1 13 ILE HA 1 16 ALA MB 2.800 . 2.800 2.368 2.056 2.812 0.012 8 0 "[ . 1 . 2]" 1
182 1 13 ILE HB 1 13 ILE MD 2.800 . 2.800 2.489 2.471 2.561 . 0 0 "[ . 1 . 2]" 1
183 1 13 ILE HB 1 13 ILE HG13 2.800 . 2.800 2.378 2.355 2.387 . 0 0 "[ . 1 . 2]" 1
184 1 13 ILE HB 1 14 GLN H 3.500 . 3.500 2.181 2.111 2.288 . 0 0 "[ . 1 . 2]" 1
185 1 13 ILE HG12 1 13 ILE MG 2.800 . 2.800 2.520 2.500 2.585 . 0 0 "[ . 1 . 2]" 1
186 1 13 ILE HG13 1 13 ILE MG 3.500 . 3.500 3.197 3.190 3.202 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE HG13 1 14 GLN H 5.500 . 5.500 4.048 3.974 4.101 . 0 0 "[ . 1 . 2]" 1
188 1 13 ILE MG 1 14 GLN H 4.500 . 4.500 3.098 3.010 3.223 . 0 0 "[ . 1 . 2]" 1
189 1 13 ILE MG 1 14 GLN HA 3.500 . 3.500 3.400 3.349 3.471 . 0 0 "[ . 1 . 2]" 1
190 1 13 ILE MG 1 14 GLN QE 5.500 . 5.500 4.754 2.890 5.914 0.414 16 0 "[ . 1 . 2]" 1
191 1 13 ILE MG 1 16 ALA MB 2.800 . 2.800 2.837 2.204 2.987 0.187 12 0 "[ . 1 . 2]" 1
192 1 14 GLN H 1 14 GLN HA . . 2.800 2.799 2.772 2.818 0.018 11 0 "[ . 1 . 2]" 1
193 1 14 GLN H 1 14 GLN HB2 2.800 . 2.800 2.215 2.165 2.376 . 0 0 "[ . 1 . 2]" 1
194 1 14 GLN H 1 14 GLN HB3 3.500 . 3.500 3.528 3.506 3.558 0.058 4 0 "[ . 1 . 2]" 1
195 1 14 GLN H 1 14 GLN QG 3.500 . 3.500 2.834 2.218 3.510 0.010 19 0 "[ . 1 . 2]" 1
196 1 14 GLN H 1 15 GLN H 3.500 . 3.500 2.778 2.713 2.830 . 0 0 "[ . 1 . 2]" 1
197 1 14 GLN H 1 15 GLN H 2.800 . 2.800 2.293 2.026 2.432 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLN HA 1 14 GLN HB2 . . 2.800 2.968 2.961 2.989 0.189 4 0 "[ . 1 . 2]" 1
199 1 14 GLN HA 1 14 GLN HB3 . . 2.800 2.683 2.554 2.710 . 0 0 "[ . 1 . 2]" 1
200 1 14 GLN HA 1 14 GLN QG . . 2.800 2.348 2.221 2.607 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLN HA 1 16 ALA H 5.500 . 5.500 4.066 3.620 5.478 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLN HA 1 17 THR HB 2.800 . 2.800 2.567 2.443 2.654 . 0 0 "[ . 1 . 2]" 1
203 1 14 GLN HB2 1 14 GLN QG 2.800 . 2.800 2.341 2.187 2.440 . 0 0 "[ . 1 . 2]" 1
204 1 14 GLN HB2 1 15 GLN H 2.800 . 2.800 2.106 2.034 2.214 . 0 0 "[ . 1 . 2]" 1
205 1 14 GLN HB3 1 14 GLN QG 2.800 . 2.800 2.321 2.192 2.465 . 0 0 "[ . 1 . 2]" 1
206 1 14 GLN HB3 1 15 GLN H 3.500 . 3.500 3.080 2.988 3.233 . 0 0 "[ . 1 . 2]" 1
207 1 15 GLN H 1 15 GLN HA 2.800 . 2.800 2.903 2.855 2.958 0.158 13 0 "[ . 1 . 2]" 1
208 1 15 GLN H 1 15 GLN HB2 3.500 . 3.500 2.169 2.131 2.257 . 0 0 "[ . 1 . 2]" 1
209 1 15 GLN H 1 15 GLN HB3 3.500 . 3.500 3.507 3.475 3.561 0.061 13 0 "[ . 1 . 2]" 1
210 1 15 GLN H 1 15 GLN QG . . 2.800 2.837 2.709 2.894 0.094 3 0 "[ . 1 . 2]" 1
211 1 15 GLN H 1 16 ALA H 2.800 . 2.800 2.449 2.085 2.683 . 0 0 "[ . 1 . 2]" 1
212 1 15 GLN HA 1 15 GLN HB2 . . 2.800 2.966 2.959 2.976 0.176 13 0 "[ . 1 . 2]" 1
213 1 15 GLN HA 1 15 GLN HB3 2.800 . 2.800 2.664 2.585 2.702 . 0 0 "[ . 1 . 2]" 1
214 1 15 GLN HA 1 15 GLN QG 2.800 . 2.800 2.305 2.220 2.566 . 0 0 "[ . 1 . 2]" 1
215 1 15 GLN HA 1 16 ALA H 3.500 . 3.500 3.420 3.291 3.568 0.068 8 0 "[ . 1 . 2]" 1
216 1 15 GLN HA 1 17 THR H 2.800 . 2.800 2.911 2.807 3.128 0.328 12 0 "[ . 1 . 2]" 1
217 1 15 GLN HA 1 18 SER H 3.500 . 3.500 3.350 2.861 3.594 0.094 2 0 "[ . 1 . 2]" 1
218 1 15 GLN HB2 1 15 GLN QG 2.800 . 2.800 2.309 2.181 2.418 . 0 0 "[ . 1 . 2]" 1
219 1 15 GLN HB2 1 16 ALA H 3.500 . 3.500 3.146 2.296 3.472 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLN HB2 1 16 ALA MB 4.500 . 4.500 4.412 4.009 4.621 0.121 11 0 "[ . 1 . 2]" 1
221 1 15 GLN HB3 1 15 GLN QE 4.500 . 4.500 2.930 1.802 4.153 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLN HB3 1 15 GLN QG 2.800 . 2.800 2.388 2.309 2.439 . 0 0 "[ . 1 . 2]" 1
223 1 15 GLN HB3 1 16 ALA H 4.500 . 4.500 3.717 2.730 4.104 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLN QG 1 16 ALA H 4.500 . 4.500 4.409 4.046 4.515 0.015 18 0 "[ . 1 . 2]" 1
225 1 16 ALA H 1 16 ALA MB 2.800 . 2.800 2.250 2.161 2.339 . 0 0 "[ . 1 . 2]" 1
226 1 16 ALA H 1 16 ALA MB 2.800 . 2.800 2.187 2.108 2.276 . 0 0 "[ . 1 . 2]" 1
227 1 16 ALA HA 1 19 ILE HB 4.500 . 4.500 3.092 2.461 3.759 . 0 0 "[ . 1 . 2]" 1
228 1 16 ALA HA 1 19 ILE MD 4.500 . 4.500 2.777 2.082 3.683 . 0 0 "[ . 1 . 2]" 1
229 1 16 ALA HA 1 19 ILE MG 4.500 . 4.500 4.413 3.996 4.575 0.075 8 0 "[ . 1 . 2]" 1
230 1 16 ALA MB 1 17 THR H 3.500 . 3.500 3.044 2.408 3.172 . 0 0 "[ . 1 . 2]" 1
231 1 17 THR H 1 17 THR MG 3.500 . 3.500 2.387 2.102 2.877 . 0 0 "[ . 1 . 2]" 1
232 1 17 THR H 1 17 THR MG 2.800 . 2.800 2.368 2.094 2.823 0.023 3 0 "[ . 1 . 2]" 1
233 1 17 THR H 1 18 SER H 4.500 . 4.500 2.657 2.166 3.166 . 0 0 "[ . 1 . 2]" 1
234 1 17 THR HA 1 17 THR MG 2.800 . 2.800 2.296 2.244 2.371 . 0 0 "[ . 1 . 2]" 1
235 1 17 THR HA 1 17 THR MG 2.800 . 2.800 2.174 2.050 2.305 . 0 0 "[ . 1 . 2]" 1
236 1 17 THR HA 1 18 SER H 3.500 . 3.500 3.482 3.338 3.568 0.068 18 0 "[ . 1 . 2]" 1
237 1 17 THR HA 1 20 GLU H 4.500 . 4.500 3.879 3.424 4.531 0.031 7 0 "[ . 1 . 2]" 1
238 1 17 THR HA 1 20 GLU QG 4.500 . 4.500 3.554 2.325 4.485 . 0 0 "[ . 1 . 2]" 1
239 1 17 THR MG 1 18 SER H 4.500 . 4.500 4.044 3.813 4.206 . 0 0 "[ . 1 . 2]" 1
240 1 18 SER H 1 18 SER HB2 . . 3.500 2.193 2.142 2.312 . 0 0 "[ . 1 . 2]" 1
241 1 18 SER H 1 19 ILE H 3.500 . 3.500 2.854 2.389 3.312 . 0 0 "[ . 1 . 2]" 1
242 1 18 SER H 1 19 ILE H 2.800 . 2.800 2.506 2.215 2.673 . 0 0 "[ . 1 . 2]" 1
243 1 18 SER H 1 21 ARG QB 4.500 . 4.500 4.658 4.546 4.838 0.338 11 0 "[ . 1 . 2]" 1
244 1 18 SER HA 1 18 SER HB2 . . 2.800 2.958 2.950 2.976 0.176 7 0 "[ . 1 . 2]" 1
245 1 18 SER HA 1 18 SER HB3 2.800 . 2.800 2.670 2.605 2.680 . 0 0 "[ . 1 . 2]" 1
246 1 18 SER HA 1 19 ILE H 3.500 . 3.500 3.552 3.471 3.576 0.076 11 0 "[ . 1 . 2]" 1
247 1 18 SER HA 1 20 GLU H 5.500 . 5.500 3.870 3.230 4.203 . 0 0 "[ . 1 . 2]" 1
248 1 18 SER HA 1 21 ARG H 4.500 . 4.500 3.119 2.514 3.358 . 0 0 "[ . 1 . 2]" 1
249 1 18 SER HA 1 21 ARG QB . . 3.500 2.289 2.225 2.342 . 0 0 "[ . 1 . 2]" 1
250 1 18 SER HB2 1 19 ILE H . . 3.500 2.440 2.276 3.353 . 0 0 "[ . 1 . 2]" 1
251 1 18 SER HB3 1 19 ILE H 4.500 . 4.500 2.703 2.485 3.918 . 0 0 "[ . 1 . 2]" 1
252 1 18 SER HB3 1 20 GLU H 4.500 . 4.500 4.687 4.642 4.781 0.281 19 0 "[ . 1 . 2]" 1
253 1 18 SER HB3 1 21 ARG QB 4.500 . 4.500 4.219 2.470 4.532 0.032 14 0 "[ . 1 . 2]" 1
254 1 19 ILE H 1 19 ILE HB 2.800 . 2.800 2.508 2.372 2.731 . 0 0 "[ . 1 . 2]" 1
255 1 19 ILE H 1 19 ILE MD . . 4.500 3.347 3.181 3.546 . 0 0 "[ . 1 . 2]" 1
256 1 19 ILE H 1 19 ILE HG12 3.500 . 3.500 3.253 2.665 3.462 . 0 0 "[ . 1 . 2]" 1
257 1 19 ILE H 1 19 ILE HG13 . . 2.800 1.922 1.763 2.189 0.037 19 0 "[ . 1 . 2]" 1
258 1 19 ILE H 1 19 ILE MG 3.500 . 3.500 3.700 3.673 3.715 0.215 11 0 "[ . 1 . 2]" 1
259 1 19 ILE H 1 20 GLU H 2.800 . 2.800 2.800 2.621 2.889 0.089 10 0 "[ . 1 . 2]" 1
260 1 19 ILE HA 1 19 ILE HB 2.800 . 2.800 2.214 2.152 2.254 . 0 0 "[ . 1 . 2]" 1
261 1 19 ILE HA 1 19 ILE MD 3.500 . 3.500 3.764 3.721 3.787 0.287 6 0 "[ . 1 . 2]" 1
262 1 19 ILE HA 1 19 ILE MD 3.500 . 3.500 2.312 2.232 2.446 . 0 0 "[ . 1 . 2]" 1
263 1 19 ILE HA 1 19 ILE HG12 . . 2.800 2.484 2.365 2.564 . 0 0 "[ . 1 . 2]" 1
264 1 19 ILE HA 1 19 ILE HG13 3.500 . 3.500 2.859 2.733 3.295 . 0 0 "[ . 1 . 2]" 1
265 1 19 ILE HA 1 19 ILE HG13 3.500 . 3.500 2.750 2.654 3.060 . 0 0 "[ . 1 . 2]" 1
266 1 19 ILE HA 1 19 ILE MG 2.800 . 2.800 2.358 2.271 2.442 . 0 0 "[ . 1 . 2]" 1
267 1 19 ILE HA 1 20 GLU H . . 3.500 3.478 3.416 3.504 0.004 19 0 "[ . 1 . 2]" 1
268 1 19 ILE HA 1 21 ARG H 5.500 . 5.500 4.657 4.266 4.986 . 0 0 "[ . 1 . 2]" 1
269 1 19 ILE HA 1 22 LEU H 3.500 . 3.500 3.436 3.195 3.540 0.040 14 0 "[ . 1 . 2]" 1
270 1 19 ILE HA 1 22 LEU HB2 3.500 . 3.500 2.277 2.204 2.326 . 0 0 "[ . 1 . 2]" 1
271 1 19 ILE HA 1 22 LEU HB3 3.500 . 3.500 3.602 3.524 3.696 0.196 8 0 "[ . 1 . 2]" 1
272 1 19 ILE HA 1 22 LEU MD1 4.500 . 4.500 2.946 2.594 3.739 . 0 0 "[ . 1 . 2]" 1
273 1 19 ILE HA 1 22 LEU MD2 3.500 . 3.500 2.333 2.248 2.479 . 0 0 "[ . 1 . 2]" 1
274 1 19 ILE HA 1 22 LEU HG . . 4.500 4.588 4.480 4.654 0.154 9 0 "[ . 1 . 2]" 1
275 1 19 ILE HA 1 23 CYS H 4.500 . 4.500 3.892 3.632 4.191 . 0 0 "[ . 1 . 2]" 1
276 1 19 ILE HB 1 19 ILE MD 2.800 . 2.800 2.277 2.225 2.398 . 0 0 "[ . 1 . 2]" 1
277 1 19 ILE HB 1 19 ILE MD 3.500 . 3.500 2.273 2.222 2.394 . 0 0 "[ . 1 . 2]" 1
278 1 19 ILE HB 1 19 ILE HG13 2.800 . 2.800 2.520 2.425 2.574 . 0 0 "[ . 1 . 2]" 1
279 1 19 ILE HB 1 20 GLU H . . 2.800 2.806 2.541 2.949 0.149 7 0 "[ . 1 . 2]" 1
280 1 19 ILE HB 1 33 TRP HZ2 2.800 . 2.800 2.807 2.381 2.931 0.131 13 0 "[ . 1 . 2]" 1
281 1 19 ILE HG12 1 19 ILE MG 2.800 . 2.800 2.329 2.291 2.394 . 0 0 "[ . 1 . 2]" 1
282 1 19 ILE HG12 1 20 GLU H 5.500 . 5.500 5.023 4.678 5.128 . 0 0 "[ . 1 . 2]" 1
283 1 19 ILE HG13 1 19 ILE MG 3.500 . 3.500 3.180 3.173 3.199 . 0 0 "[ . 1 . 2]" 1
284 1 19 ILE HG13 1 20 GLU H 2.800 . 2.800 2.671 2.148 2.998 0.198 18 0 "[ . 1 . 2]" 1
285 1 19 ILE HG13 1 22 LEU MD1 2.800 . 2.800 3.108 3.058 3.167 0.367 14 0 "[ . 1 . 2]" 1
286 1 19 ILE MG 1 20 GLU H 3.500 . 3.500 3.543 3.472 3.631 0.131 19 0 "[ . 1 . 2]" 1
287 1 19 ILE MG 1 33 TRP HH2 3.500 . 3.500 2.211 2.058 2.649 . 0 0 "[ . 1 . 2]" 1
288 1 19 ILE MG 1 33 TRP HZ2 2.800 . 2.800 2.357 2.090 2.796 . 0 0 "[ . 1 . 2]" 1
289 1 20 GLU H 1 20 GLU QB 3.500 . 3.500 2.311 2.225 2.520 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLU H 1 20 GLU QG . . 3.500 2.704 2.153 3.056 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLU H 1 21 ARG H 2.800 . 2.800 2.461 2.250 2.604 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLU H 1 22 LEU H 4.500 . 4.500 3.652 3.491 3.808 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLU HA 1 21 ARG H 4.500 . 4.500 3.548 3.499 3.575 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLU HA 1 23 CYS H 2.800 . 2.800 2.460 2.205 2.768 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLU QB 1 21 ARG H 4.500 . 4.500 2.733 2.253 3.377 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLU QG 1 24 GLN QE . . 4.500 3.841 2.256 4.534 0.034 14 0 "[ . 1 . 2]" 1
297 1 20 GLU QG 1 24 GLN QG 4.500 . 4.500 4.402 3.635 4.554 0.054 12 0 "[ . 1 . 2]" 1
298 1 20 GLU QG 1 33 TRP HB2 4.500 . 4.500 4.247 3.101 4.530 0.030 18 0 "[ . 1 . 2]" 1
299 1 21 ARG H 1 21 ARG HA . . 2.800 2.844 2.803 2.894 0.094 8 0 "[ . 1 . 2]" 1
300 1 21 ARG H 1 21 ARG QB 2.800 . 2.800 2.206 2.071 2.300 . 0 0 "[ . 1 . 2]" 1
301 1 21 ARG H 1 21 ARG QD . . 4.500 4.254 3.903 4.592 0.092 19 0 "[ . 1 . 2]" 1
302 1 21 ARG H 1 21 ARG QG . . 2.800 2.688 2.504 2.835 0.035 11 0 "[ . 1 . 2]" 1
303 1 21 ARG H 1 22 LEU H 2.800 . 2.800 2.622 2.398 2.759 . 0 0 "[ . 1 . 2]" 1
304 1 21 ARG H 1 22 LEU HB2 5.500 . 5.500 4.371 4.157 4.561 . 0 0 "[ . 1 . 2]" 1
305 1 21 ARG H 1 22 LEU QD 5.500 . 5.500 3.692 3.508 3.880 . 0 0 "[ . 1 . 2]" 1
306 1 21 ARG HA 1 21 ARG QB 2.800 . 2.800 2.493 2.424 2.542 . 0 0 "[ . 1 . 2]" 1
307 1 21 ARG HA 1 21 ARG QD 3.500 . 3.500 2.563 2.183 3.661 0.161 8 0 "[ . 1 . 2]" 1
308 1 21 ARG HA 1 21 ARG QG 3.500 . 3.500 2.438 2.173 2.730 . 0 0 "[ . 1 . 2]" 1
309 1 21 ARG HA 1 22 LEU H . . 3.500 3.521 3.469 3.547 0.047 10 0 "[ . 1 . 2]" 1
310 1 21 ARG HA 1 24 GLN H 4.500 . 4.500 3.935 3.439 4.468 . 0 0 "[ . 1 . 2]" 1
311 1 21 ARG HA 1 24 GLN QB 2.800 . 2.800 2.239 2.095 2.407 . 0 0 "[ . 1 . 2]" 1
312 1 21 ARG HA 1 25 HIS H 4.500 . 4.500 3.305 3.144 3.476 . 0 0 "[ . 1 . 2]" 1
313 1 21 ARG HA 1 24 GLN QB 3.500 . 3.500 2.759 2.294 3.568 0.068 19 0 "[ . 1 . 2]" 1
314 1 21 ARG HA 1 24 GLN QG 5.500 . 5.500 3.911 2.290 4.783 . 0 0 "[ . 1 . 2]" 1
315 1 21 ARG QB 1 21 ARG QD . . 2.800 2.316 2.129 2.927 0.127 6 0 "[ . 1 . 2]" 1
316 1 21 ARG QB 1 22 LEU H 3.500 . 3.500 2.738 2.578 2.898 . 0 0 "[ . 1 . 2]" 1
317 1 21 ARG QB 1 22 LEU H 2.800 . 2.800 2.683 2.533 2.820 0.020 5 0 "[ . 1 . 2]" 1
318 1 21 ARG QB 1 22 LEU HA 5.500 . 5.500 3.931 3.888 3.972 . 0 0 "[ . 1 . 2]" 1
319 1 21 ARG QB 1 22 LEU MD1 5.500 . 5.500 2.729 2.586 2.864 . 0 0 "[ . 1 . 2]" 1
320 1 21 ARG QD 1 21 ARG HG2 2.800 . 2.800 2.295 2.188 2.563 . 0 0 "[ . 1 . 2]" 1
321 1 21 ARG QD 1 21 ARG HG3 2.800 . 2.800 2.384 2.189 2.556 . 0 0 "[ . 1 . 2]" 1
322 1 21 ARG QD 1 22 LEU H 5.500 . 5.500 4.606 4.291 5.003 . 0 0 "[ . 1 . 2]" 1
323 1 21 ARG QG 1 22 LEU H 5.500 . 5.500 4.338 4.171 4.493 . 0 0 "[ . 1 . 2]" 1
324 1 22 LEU H 1 22 LEU HA 2.800 . 2.800 2.807 2.756 2.833 0.033 3 0 "[ . 1 . 2]" 1
325 1 22 LEU H 1 22 LEU HB2 2.800 . 2.800 2.063 2.024 2.120 . 0 0 "[ . 1 . 2]" 1
326 1 22 LEU H 1 22 LEU HB3 3.500 . 3.500 3.415 3.379 3.460 . 0 0 "[ . 1 . 2]" 1
327 1 22 LEU H 1 22 LEU MD1 4.500 . 4.500 2.129 1.843 2.268 . 0 0 "[ . 1 . 2]" 1
328 1 22 LEU H 1 22 LEU QD 3.500 . 3.500 2.117 1.837 2.252 . 0 0 "[ . 1 . 2]" 1
329 1 22 LEU H 1 22 LEU HG 3.500 . 3.500 3.862 3.719 4.000 0.500 14 1 "[ . 1 +. 2]" 1
330 1 22 LEU H 1 23 CYS H 2.800 . 2.800 2.890 2.846 2.927 0.127 8 0 "[ . 1 . 2]" 1
331 1 22 LEU HA 1 22 LEU HB2 2.800 . 2.800 2.932 2.925 2.944 0.144 19 0 "[ . 1 . 2]" 1
332 1 22 LEU HA 1 22 LEU HB3 2.800 . 2.800 2.701 2.659 2.735 . 0 0 "[ . 1 . 2]" 1
333 1 22 LEU HA 1 22 LEU MD1 2.800 . 2.800 2.328 2.132 2.594 . 0 0 "[ . 1 . 2]" 1
334 1 22 LEU HA 1 22 LEU QD 2.800 . 2.800 2.303 2.120 2.543 . 0 0 "[ . 1 . 2]" 1
335 1 22 LEU HA 1 22 LEU MD2 3.500 . 3.500 3.703 3.666 3.752 0.252 14 0 "[ . 1 . 2]" 1
336 1 22 LEU HA 1 22 LEU HG . . 3.500 2.332 2.234 2.591 . 0 0 "[ . 1 . 2]" 1
337 1 22 LEU HA 1 23 CYS H 3.500 . 3.500 3.522 3.507 3.535 0.035 11 0 "[ . 1 . 2]" 1
338 1 22 LEU HA 1 25 HIS H 2.800 . 2.800 2.821 2.709 2.890 0.090 5 0 "[ . 1 . 2]" 1
339 1 22 LEU HA 1 25 HIS HB2 2.800 . 2.800 2.505 2.451 2.572 . 0 0 "[ . 1 . 2]" 1
340 1 22 LEU HA 1 25 HIS HB2 4.500 . 4.500 4.202 3.687 4.528 0.028 5 0 "[ . 1 . 2]" 1
341 1 22 LEU HA 1 25 HIS HB3 3.500 . 3.500 3.075 2.563 3.473 . 0 0 "[ . 1 . 2]" 1
342 1 22 LEU HA 1 26 TYR QD 2.800 . 2.800 2.254 2.181 2.317 . 0 0 "[ . 1 . 2]" 1
343 1 22 LEU HA 1 26 TYR QE 3.500 . 3.500 3.069 2.463 3.538 0.038 2 0 "[ . 1 . 2]" 1
344 1 22 LEU HB2 1 22 LEU MD1 3.500 . 3.500 2.369 2.283 2.525 . 0 0 "[ . 1 . 2]" 1
345 1 22 LEU HB2 1 22 LEU QD 2.800 . 2.800 2.111 2.054 2.164 . 0 0 "[ . 1 . 2]" 1
346 1 22 LEU HB2 1 22 LEU MD2 2.800 . 2.800 2.379 2.246 2.468 . 0 0 "[ . 1 . 2]" 1
347 1 22 LEU HB2 1 22 LEU HG 2.800 . 2.800 2.950 2.943 2.958 0.158 1 0 "[ . 1 . 2]" 1
348 1 22 LEU HB2 1 23 CYS H . . 2.800 2.347 2.257 2.464 . 0 0 "[ . 1 . 2]" 1
349 1 22 LEU HB2 1 26 TYR QD 5.500 . 5.500 4.166 3.894 4.615 . 0 0 "[ . 1 . 2]" 1
350 1 22 LEU HB3 1 22 LEU QD 2.800 . 2.800 2.250 2.192 2.382 . 0 0 "[ . 1 . 2]" 1
351 1 22 LEU HB3 1 22 LEU MD2 2.800 . 2.800 2.301 2.232 2.458 . 0 0 "[ . 1 . 2]" 1
352 1 22 LEU HB3 1 23 CYS H . . 3.500 2.585 2.476 2.743 . 0 0 "[ . 1 . 2]" 1
353 1 22 LEU HB3 1 26 TYR QD 3.500 . 3.500 2.961 2.503 3.528 0.028 16 0 "[ . 1 . 2]" 1
354 1 22 LEU HB3 1 26 TYR QE 4.500 . 4.500 4.407 3.940 4.604 0.104 19 0 "[ . 1 . 2]" 1
355 1 22 LEU QD 1 23 CYS H 4.500 . 4.500 3.655 3.583 3.723 . 0 0 "[ . 1 . 2]" 1
356 1 22 LEU QD 1 26 TYR QE 2.800 . 2.800 2.810 2.693 2.871 0.071 18 0 "[ . 1 . 2]" 1
357 1 22 LEU MD1 1 26 TYR QD 3.500 . 3.500 3.630 3.540 3.764 0.264 5 0 "[ . 1 . 2]" 1
358 1 22 LEU MD1 1 26 TYR QE 2.800 . 2.800 2.918 2.766 3.070 0.270 18 0 "[ . 1 . 2]" 1
359 1 22 LEU MD2 1 26 TYR QD 4.500 . 4.500 3.642 3.453 4.343 . 0 0 "[ . 1 . 2]" 1
360 1 22 LEU HG 1 23 CYS H 4.500 . 4.500 4.593 4.534 4.664 0.164 19 0 "[ . 1 . 2]" 1
361 1 22 LEU HG 1 26 TYR QD 3.500 . 3.500 2.372 2.246 3.276 . 0 0 "[ . 1 . 2]" 1
362 1 23 CYS H 1 23 CYS QB . . 2.800 2.502 2.230 2.847 0.047 8 0 "[ . 1 . 2]" 1
363 1 23 CYS H 1 24 GLN H 3.500 . 3.500 2.946 2.689 3.161 . 0 0 "[ . 1 . 2]" 1
364 1 23 CYS HA 1 27 ILE HB 4.500 . 4.500 2.476 2.273 3.077 . 0 0 "[ . 1 . 2]" 1
365 1 23 CYS HA 1 27 ILE MD 3.500 . 3.500 2.710 2.038 3.803 0.303 10 0 "[ . 1 . 2]" 1
366 1 23 CYS HA 1 27 ILE HG12 4.500 . 4.500 3.727 2.202 4.587 0.087 16 0 "[ . 1 . 2]" 1
367 1 23 CYS HA 1 27 ILE HG13 4.500 . 4.500 4.026 2.340 4.575 0.075 17 0 "[ . 1 . 2]" 1
368 1 23 CYS QB 1 24 GLN H . . 4.500 3.255 2.740 3.719 . 0 0 "[ . 1 . 2]" 1
369 1 24 GLN H 1 24 GLN QB . . 2.800 2.405 2.285 2.523 . 0 0 "[ . 1 . 2]" 1
370 1 24 GLN H 1 24 GLN QG . . 3.500 2.582 2.033 3.474 . 0 0 "[ . 1 . 2]" 1
371 1 24 GLN H 1 25 HIS H 3.500 . 3.500 2.631 2.220 2.951 . 0 0 "[ . 1 . 2]" 1
372 1 24 GLN HA 1 24 GLN QB 2.800 . 2.800 2.410 2.178 2.513 . 0 0 "[ . 1 . 2]" 1
373 1 24 GLN HA 1 24 GLN QG . . 3.500 2.392 2.249 3.258 . 0 0 "[ . 1 . 2]" 1
374 1 24 GLN HA 1 25 HIS H 4.500 . 4.500 3.525 3.470 3.573 . 0 0 "[ . 1 . 2]" 1
375 1 24 GLN HA 1 28 GLY H 4.500 . 4.500 3.985 3.027 4.522 0.022 16 0 "[ . 1 . 2]" 1
376 1 24 GLN HA 1 28 GLY QA 3.500 . 3.500 2.455 2.289 3.281 . 0 0 "[ . 1 . 2]" 1
377 1 24 GLN QB 1 25 HIS H . . 3.500 2.816 2.614 3.552 0.052 19 0 "[ . 1 . 2]" 1
378 1 24 GLN QB 1 25 HIS HB2 5.500 . 5.500 3.956 3.784 4.973 . 0 0 "[ . 1 . 2]" 1
379 1 24 GLN QE 1 30 CYS HB2 5.500 . 5.500 4.015 1.786 5.490 0.014 5 0 "[ . 1 . 2]" 1
380 1 25 HIS H 1 25 HIS HB2 . . 2.800 2.687 2.546 2.801 0.001 16 0 "[ . 1 . 2]" 1
381 1 25 HIS H 1 25 HIS HB3 . . 2.800 2.609 2.520 2.714 . 0 0 "[ . 1 . 2]" 1
382 1 25 HIS H 1 26 TYR H 2.800 . 2.800 2.629 2.355 2.813 0.013 4 0 "[ . 1 . 2]" 1
383 1 25 HIS H 1 26 TYR H 2.800 . 2.800 2.457 2.245 2.610 . 0 0 "[ . 1 . 2]" 1
384 1 25 HIS HA 1 25 HIS HB2 2.800 . 2.800 2.525 2.478 2.587 . 0 0 "[ . 1 . 2]" 1
385 1 25 HIS HA 1 26 TYR H 4.500 . 4.500 3.586 3.555 3.606 . 0 0 "[ . 1 . 2]" 1
386 1 25 HIS HB2 1 26 TYR H 4.500 . 4.500 3.555 3.437 3.845 . 0 0 "[ . 1 . 2]" 1
387 1 25 HIS HB2 1 26 TYR H 3.500 . 3.500 3.184 3.128 3.280 . 0 0 "[ . 1 . 2]" 1
388 1 25 HIS HB2 1 26 TYR QD 2.800 . 2.800 2.602 2.301 2.747 . 0 0 "[ . 1 . 2]" 1
389 1 25 HIS HB2 1 26 TYR QD 5.500 . 5.500 4.979 4.078 5.312 . 0 0 "[ . 1 . 2]" 1
390 1 25 HIS HB3 1 26 TYR H 3.500 . 3.500 2.086 1.902 2.618 . 0 0 "[ . 1 . 2]" 1
391 1 25 HIS HB3 1 26 TYR H 2.800 . 2.800 1.964 1.841 2.176 . 0 0 "[ . 1 . 2]" 1
392 1 25 HIS HB3 1 26 TYR QD 2.800 . 2.800 2.277 2.176 2.301 . 0 0 "[ . 1 . 2]" 1
393 1 25 HIS HB3 1 26 TYR QD 4.500 . 4.500 3.458 2.330 3.808 . 0 0 "[ . 1 . 2]" 1
394 1 25 HIS HB3 1 26 TYR QE 4.500 . 4.500 4.056 3.501 4.532 0.032 15 0 "[ . 1 . 2]" 1
395 1 26 TYR H 1 26 TYR HB2 3.500 . 3.500 2.474 2.220 2.677 . 0 0 "[ . 1 . 2]" 1
396 1 26 TYR H 1 26 TYR HB3 3.500 . 3.500 3.601 3.547 3.647 0.147 10 0 "[ . 1 . 2]" 1
397 1 26 TYR H 1 26 TYR QD 4.500 . 4.500 2.736 1.794 3.048 0.006 16 0 "[ . 1 . 2]" 1
398 1 26 TYR H 1 27 ILE H 4.500 . 4.500 2.982 2.670 3.189 . 0 0 "[ . 1 . 2]" 1
399 1 26 TYR H 1 27 ILE MD 4.500 . 4.500 4.078 3.731 4.529 0.029 20 0 "[ . 1 . 2]" 1
400 1 26 TYR HA 1 26 TYR QD 2.800 . 2.800 2.428 2.250 3.019 0.219 16 0 "[ . 1 . 2]" 1
401 1 26 TYR HB2 1 26 TYR QD 3.500 . 3.500 2.333 2.297 2.611 . 0 0 "[ . 1 . 2]" 1
402 1 26 TYR HB2 1 27 ILE MD 5.500 . 5.500 2.288 2.076 2.631 . 0 0 "[ . 1 . 2]" 1
403 1 26 TYR HB2 1 27 ILE HG13 . . 4.500 3.980 3.334 4.542 0.042 20 0 "[ . 1 . 2]" 1
404 1 26 TYR HB3 1 26 TYR QD 3.500 . 3.500 2.611 2.313 2.762 . 0 0 "[ . 1 . 2]" 1
405 1 26 TYR HB3 1 27 ILE MD 5.500 . 5.500 2.663 2.084 3.209 . 0 0 "[ . 1 . 2]" 1
406 1 26 TYR HB3 1 27 ILE HG12 4.500 . 4.500 4.485 4.085 4.714 0.214 14 0 "[ . 1 . 2]" 1
407 1 27 ILE H 1 27 ILE HG12 4.500 . 4.500 3.201 1.785 4.032 0.015 19 0 "[ . 1 . 2]" 1
408 1 27 ILE H 1 27 ILE HG13 4.500 . 4.500 3.124 2.771 3.490 . 0 0 "[ . 1 . 2]" 1
409 1 27 ILE H 1 27 ILE MG 4.500 . 4.500 3.793 3.696 3.847 . 0 0 "[ . 1 . 2]" 1
410 1 27 ILE H 1 28 GLY H 4.500 . 4.500 2.952 2.325 3.310 . 0 0 "[ . 1 . 2]" 1
411 1 27 ILE HA 1 27 ILE MD 3.500 . 3.500 3.047 2.175 3.562 0.062 9 0 "[ . 1 . 2]" 1
412 1 27 ILE HA 1 27 ILE HG12 3.500 . 3.500 3.488 3.373 3.529 0.029 16 0 "[ . 1 . 2]" 1
413 1 27 ILE HA 1 27 ILE HG13 4.500 . 4.500 2.936 2.341 3.866 . 0 0 "[ . 1 . 2]" 1
414 1 27 ILE HA 1 27 ILE MG 2.800 . 2.800 2.269 2.213 2.325 . 0 0 "[ . 1 . 2]" 1
415 1 27 ILE HA 1 28 GLY H 4.500 . 4.500 3.555 3.441 3.588 . 0 0 "[ . 1 . 2]" 1
416 1 27 ILE HB 1 27 ILE MD . . 2.800 2.548 2.205 3.177 0.377 7 0 "[ . 1 . 2]" 1
417 1 27 ILE HB 1 28 GLY H 4.500 . 4.500 1.955 1.787 3.174 0.013 16 0 "[ . 1 . 2]" 1
418 1 27 ILE HG12 1 27 ILE MG 3.500 . 3.500 2.535 2.127 3.206 . 0 0 "[ . 1 . 2]" 1
419 1 27 ILE HG12 1 28 GLY H 5.500 . 5.500 4.234 3.458 5.308 . 0 0 "[ . 1 . 2]" 1
420 1 27 ILE HG13 1 27 ILE MG . . 2.800 2.589 2.251 2.800 . 0 0 "[ . 1 . 2]" 1
421 1 27 ILE MG 1 28 GLY H 4.500 . 4.500 3.005 2.546 4.128 . 0 0 "[ . 1 . 2]" 1
422 1 27 ILE MG 1 29 TRP H 3.500 . 3.500 2.795 1.978 3.520 0.020 12 0 "[ . 1 . 2]" 1
423 1 27 ILE MG 1 29 TRP HB2 4.500 . 4.500 2.992 2.232 3.909 . 0 0 "[ . 1 . 2]" 1
424 1 27 ILE MG 1 29 TRP QB 4.500 . 4.500 2.761 2.211 3.273 . 0 0 "[ . 1 . 2]" 1
425 1 27 ILE MG 1 29 TRP HB3 3.500 . 3.500 3.422 2.907 3.571 0.071 9 0 "[ . 1 . 2]" 1
426 1 28 GLY H 1 28 GLY QA 2.800 . 2.800 2.414 2.251 2.486 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLY H 1 29 TRP H 5.500 . 5.500 2.252 1.790 3.590 0.010 6 0 "[ . 1 . 2]" 1
428 1 29 TRP H 1 30 CYS H 5.500 . 5.500 4.273 3.676 4.667 . 0 0 "[ . 1 . 2]" 1
429 1 29 TRP HA 1 29 TRP QB . . 2.800 2.506 2.382 2.570 . 0 0 "[ . 1 . 2]" 1
430 1 29 TRP HA 1 29 TRP HD1 2.800 . 2.800 2.737 2.560 2.912 0.112 8 0 "[ . 1 . 2]" 1
431 1 29 TRP HA 1 29 TRP HE3 4.500 . 4.500 4.528 4.409 4.616 0.116 18 0 "[ . 1 . 2]" 1
432 1 29 TRP HA 1 30 CYS H 2.800 . 2.800 2.257 2.175 2.475 . 0 0 "[ . 1 . 2]" 1
433 1 29 TRP QB 1 29 TRP HD1 3.500 . 3.500 2.885 2.735 3.036 . 0 0 "[ . 1 . 2]" 1
434 1 29 TRP QB 1 29 TRP HE3 3.500 . 3.500 2.345 2.322 2.376 . 0 0 "[ . 1 . 2]" 1
435 1 29 TRP QB 1 29 TRP HZ3 4.500 . 4.500 4.619 4.609 4.635 0.135 19 0 "[ . 1 . 2]" 1
436 1 29 TRP QB 1 30 CYS H 5.500 . 5.500 3.680 2.858 4.051 . 0 0 "[ . 1 . 2]" 1
437 1 29 TRP HD1 1 30 CYS H 5.500 . 5.500 3.835 2.297 5.030 . 0 0 "[ . 1 . 2]" 1
438 1 30 CYS H 1 30 CYS HB2 . . 3.500 2.968 2.645 3.164 . 0 0 "[ . 1 . 2]" 1
439 1 30 CYS H 1 31 PRO HA 4.500 . 4.500 4.457 4.227 4.652 0.152 10 0 "[ . 1 . 2]" 1
440 1 30 CYS HA 1 31 PRO QD . . 2.800 2.144 2.077 2.244 . 0 0 "[ . 1 . 2]" 1
441 1 30 CYS HA 1 33 TRP HE3 4.500 . 4.500 3.943 3.218 4.586 0.086 13 0 "[ . 1 . 2]" 1
442 1 30 CYS HA 1 33 TRP HZ3 4.500 . 4.500 2.850 2.306 4.005 . 0 0 "[ . 1 . 2]" 1
443 1 30 CYS HB2 1 33 TRP HE3 2.800 . 2.800 2.688 2.460 2.827 0.027 3 0 "[ . 1 . 2]" 1
444 1 30 CYS HB2 1 33 TRP HE3 5.500 . 5.500 3.952 2.859 5.107 . 0 0 "[ . 1 . 2]" 1
445 1 30 CYS HB2 1 33 TRP HZ3 4.500 . 4.500 4.269 3.711 4.552 0.052 19 0 "[ . 1 . 2]" 1
446 1 30 CYS HB3 1 33 TRP HE3 4.500 . 4.500 2.793 2.308 3.837 . 0 0 "[ . 1 . 2]" 1
447 1 30 CYS HB3 1 33 TRP HZ3 3.500 . 3.500 2.814 2.316 3.277 . 0 0 "[ . 1 . 2]" 1
448 1 31 PRO HA 1 33 TRP H 2.800 . 2.800 2.746 2.456 2.916 0.116 4 0 "[ . 1 . 2]" 1
449 1 31 PRO QB 1 32 PHE H 5.500 . 5.500 2.811 1.704 4.046 0.096 7 0 "[ . 1 . 2]" 1
450 1 31 PRO QB 1 32 PHE HA 4.500 . 4.500 4.284 4.078 4.551 0.051 18 0 "[ . 1 . 2]" 1
451 1 32 PHE H 1 33 TRP H . . 2.800 2.644 1.988 2.917 0.117 7 0 "[ . 1 . 2]" 1
452 1 32 PHE H 1 33 TRP HE3 5.500 . 5.500 2.950 1.956 4.407 . 0 0 "[ . 1 . 2]" 1
453 1 32 PHE HA 1 32 PHE QB . . 2.800 2.409 2.296 2.550 . 0 0 "[ . 1 . 2]" 1
454 1 32 PHE HA 1 32 PHE QD 2.800 . 2.800 2.588 2.314 2.833 0.033 2 0 "[ . 1 . 2]" 1
455 1 32 PHE QB 1 33 TRP H . . 4.500 3.738 3.285 4.090 . 0 0 "[ . 1 . 2]" 1
456 1 33 TRP H 1 33 TRP HB2 . . 2.800 2.347 2.220 2.630 . 0 0 "[ . 1 . 2]" 1
457 1 33 TRP H 1 33 TRP HB3 . . 3.500 3.602 3.542 3.750 0.250 18 0 "[ . 1 . 2]" 1
458 1 33 TRP H 1 33 TRP HE3 3.500 . 3.500 2.285 1.772 2.977 0.028 3 0 "[ . 1 . 2]" 1
459 1 33 TRP HA 1 33 TRP HB2 . . 2.800 2.981 2.963 2.998 0.198 1 0 "[ . 1 . 2]" 1
460 1 33 TRP HA 1 33 TRP HB3 2.800 . 2.800 2.637 2.518 2.706 . 0 0 "[ . 1 . 2]" 1
461 1 33 TRP HA 1 33 TRP HD1 3.500 . 3.500 3.341 2.695 3.538 0.038 3 0 "[ . 1 . 2]" 1
462 1 33 TRP HB2 1 33 TRP HD1 3.500 . 3.500 3.691 3.648 3.791 0.291 19 0 "[ . 1 . 2]" 1
463 1 33 TRP HB2 1 33 TRP HE3 3.500 . 3.500 2.765 2.543 2.861 . 0 0 "[ . 1 . 2]" 1
464 1 33 TRP HB3 1 33 TRP HD1 2.800 . 2.800 2.550 2.497 2.744 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 10:37:15 PM GMT (wattos1)