NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
389663 |
1npq   |
5738 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1npq
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 444
_Distance_constraint_stats_list.Viol_count 678
_Distance_constraint_stats_list.Viol_total 2497.593
_Distance_constraint_stats_list.Viol_max 0.654
_Distance_constraint_stats_list.Viol_rms 0.0629
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.1754
_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 3 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 THR 0.152 0.136 20 0 "[ . 1 . 2 ]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 GLN 3.281 0.307 5 0 "[ . 1 . 2 ]"
1 7 GLN 0.254 0.091 12 0 "[ . 1 . 2 ]"
1 8 ALA 1.093 0.064 21 0 "[ . 1 . 2 ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ALA 15.539 0.634 21 8 "[ .* * ***- * 2+]"
1 11 ARG 0.354 0.111 1 0 "[ . 1 . 2 ]"
1 12 ALA 0.479 0.026 8 0 "[ . 1 . 2 ]"
1 13 PHE 0.485 0.175 17 0 "[ . 1 . 2 ]"
1 14 LEU 0.645 0.132 6 0 "[ . 1 . 2 ]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 MET 3.932 0.214 11 0 "[ . 1 . 2 ]"
1 19 ILE 3.838 0.398 16 0 "[ . 1 . 2 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 PHE 0.260 0.030 1 0 "[ . 1 . 2 ]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ALA 0.767 0.060 15 0 "[ . 1 . 2 ]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 ASP 0.084 0.018 18 0 "[ . 1 . 2 ]"
1 37 ILE 0.419 0.075 2 0 "[ . 1 . 2 ]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 THR 7.801 0.461 11 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 GLU 0.037 0.037 14 0 "[ . 1 . 2 ]"
1 42 LEU 15.464 0.490 14 0 "[ . 1 . 2 ]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 THR 5.843 0.302 10 0 "[ . 1 . 2 ]"
1 45 VAL 8.757 0.302 10 0 "[ . 1 . 2 ]"
1 46 MET 7.957 0.451 6 0 "[ . 1 . 2 ]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 MET 1.662 0.148 18 0 "[ . 1 . 2 ]"
1 49 LEU 1.513 0.120 5 0 "[ . 1 . 2 ]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 GLN 8.279 0.549 5 9 "[ * +* * 1- * ** * 2 ]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 PRO 14.810 0.549 5 9 "[ * +* * 1- * ** * 2 ]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 LYS 1.273 0.461 11 0 "[ . 1 . 2 ]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 LEU 14.038 0.490 14 0 "[ . 1 . 2 ]"
1 59 ASP 1.322 0.142 18 0 "[ . 1 . 2 ]"
1 60 ALA 1.183 0.140 1 0 "[ . 1 . 2 ]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ILE 7.488 0.382 13 0 "[ . 1 . 2 ]"
1 63 CYS 0.130 0.130 1 0 "[ . 1 . 2 ]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 VAL 19.403 0.654 16 21 [-**************+*****]
1 66 ASP 0.532 0.403 16 0 "[ . 1 . 2 ]"
1 67 GLU 0.136 0.136 20 0 "[ . 1 . 2 ]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLY 0.011 0.011 4 0 "[ . 1 . 2 ]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ILE 8.960 0.654 16 8 "[ - . ** ** .+* 2*]"
1 74 ASP 0.084 0.018 18 0 "[ . 1 . 2 ]"
1 76 GLU 0.242 0.091 12 0 "[ . 1 . 2 ]"
1 77 GLU 4.285 0.325 3 0 "[ . 1 . 2 ]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 LEU 5.744 0.398 16 0 "[ . 1 . 2 ]"
1 80 VAL 22.356 0.634 21 8 "[ .* * ***- * 2+]"
1 81 MET 11.807 0.564 10 20 "[-********+***** *****]"
1 82 MET 0.728 0.189 21 0 "[ . 1 . 2 ]"
1 83 VAL 13.161 0.399 16 0 "[ . 1 . 2 ]"
1 84 ARG 2.837 0.436 10 0 "[ . 1 . 2 ]"
1 85 GLN 0.113 0.113 10 0 "[ . 1 . 2 ]"
1 86 MET 2.922 0.232 19 0 "[ . 1 . 2 ]"
1 87 LYS 2.946 0.310 19 0 "[ . 1 . 2 ]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 ASP 1.530 0.308 5 0 "[ . 1 . 2 ]"
1 90 ALA 1.530 0.308 5 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 3 MET ME 1 3 MET QG 3.400 . 5.000 2.257 1.994 2.589 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 MET H 1 3 MET ME 3.450 . 5.000 3.802 2.778 4.184 . 0 0 "[ . 1 . 2 ]" 1
3 1 4 THR HA 1 4 THR MG 2.865 . 3.930 3.089 2.271 3.229 . 0 0 "[ . 1 . 2 ]" 1
4 1 4 THR MG 1 6 GLN QG 3.280 . 4.680 2.896 1.864 3.483 0.016 8 0 "[ . 1 . 2 ]" 1
5 1 3 MET QB 1 4 THR MG 3.030 . 4.250 2.807 2.516 3.045 . 0 0 "[ . 1 . 2 ]" 1
6 1 5 ASP HA 1 8 ALA MB 3.400 . 5.000 3.138 2.483 3.558 . 0 0 "[ . 1 . 2 ]" 1
7 1 5 ASP QB 1 8 ALA MB 3.400 . 5.000 2.714 2.530 2.873 . 0 0 "[ . 1 . 2 ]" 1
8 1 6 GLN QB 1 7 GLN H 3.370 2.180 4.560 3.553 3.318 3.632 . 0 0 "[ . 1 . 2 ]" 1
9 1 6 GLN HA 1 6 GLN QB 2.815 . 3.760 2.178 2.168 2.182 . 0 0 "[ . 1 . 2 ]" 1
10 1 6 GLN QB 1 6 GLN QG 2.725 . 3.640 2.072 2.020 2.087 . 0 0 "[ . 1 . 2 ]" 1
11 1 6 GLN QB 1 80 VAL QG 3.580 2.160 5.000 2.131 1.853 2.763 0.307 5 0 "[ . 1 . 2 ]" 1
12 1 7 GLN HA 1 80 VAL QG 2.745 . 3.690 2.321 1.767 2.797 0.033 15 0 "[ . 1 . 2 ]" 1
13 1 7 GLN HA 1 7 GLN QG 2.815 . 3.830 2.833 2.440 3.399 . 0 0 "[ . 1 . 2 ]" 1
14 1 7 GLN H 1 7 GLN QB 2.965 . 4.130 2.730 2.504 3.054 . 0 0 "[ . 1 . 2 ]" 1
15 1 7 GLN QB 1 77 GLU QG 2.950 . 4.100 3.264 2.965 3.544 . 0 0 "[ . 1 . 2 ]" 1
16 1 7 GLN QB 1 76 GLU QB 2.795 . 3.790 2.007 1.796 3.009 0.004 8 0 "[ . 1 . 2 ]" 1
17 1 7 GLN QB 1 76 GLU QG 3.055 . 4.270 3.158 1.749 3.533 0.091 12 0 "[ . 1 . 2 ]" 1
18 1 8 ALA HA 1 11 ARG QB 2.845 . 3.890 3.477 3.469 3.485 . 0 0 "[ . 1 . 2 ]" 1
19 1 8 ALA HA 1 11 ARG QD 4.085 3.170 5.000 4.406 4.239 4.462 . 0 0 "[ . 1 . 2 ]" 1
20 1 7 GLN QB 1 8 ALA HA 3.635 2.860 4.410 3.969 3.922 4.012 . 0 0 "[ . 1 . 2 ]" 1
21 1 8 ALA HA 1 8 ALA MB 2.645 2.150 3.140 2.098 2.086 2.122 0.064 21 0 "[ . 1 . 2 ]" 1
22 1 7 GLN H 1 8 ALA MB 3.410 . 5.000 4.114 3.868 4.222 . 0 0 "[ . 1 . 2 ]" 1
23 1 9 GLU HA 1 9 GLU QG 2.760 . 3.650 2.595 2.506 2.738 . 0 0 "[ . 1 . 2 ]" 1
24 1 9 GLU QB 1 12 ALA MB 3.400 . 5.000 3.704 3.644 3.720 . 0 0 "[ . 1 . 2 ]" 1
25 1 5 ASP QB 1 9 GLU QG 3.470 2.300 4.640 3.338 2.402 3.687 . 0 0 "[ . 1 . 2 ]" 1
26 1 10 ALA HA 1 13 PHE QB 2.850 . 3.900 2.185 2.002 2.418 . 0 0 "[ . 1 . 2 ]" 1
27 1 9 GLU QB 1 10 ALA HA 3.745 2.860 4.630 3.833 3.779 3.883 . 0 0 "[ . 1 . 2 ]" 1
28 1 10 ALA HA 1 10 ALA MB 2.755 . 3.620 2.096 2.083 2.123 . 0 0 "[ . 1 . 2 ]" 1
29 1 10 ALA HA 1 83 VAL QG 3.110 . 4.350 2.015 1.859 2.259 0.011 14 0 "[ . 1 . 2 ]" 1
30 1 7 GLN HA 1 10 ALA MB 3.545 2.360 4.730 2.639 2.428 2.866 . 0 0 "[ . 1 . 2 ]" 1
31 1 10 ALA MB 1 79 LEU HA 3.885 2.770 5.000 3.904 3.635 4.166 . 0 0 "[ . 1 . 2 ]" 1
32 1 10 ALA MB 1 80 VAL HB 3.775 2.550 5.000 3.021 2.328 4.062 0.222 9 0 "[ . 1 . 2 ]" 1
33 1 10 ALA MB 1 76 GLU QB 3.855 2.710 5.000 3.735 3.715 3.953 . 0 0 "[ . 1 . 2 ]" 1
34 1 10 ALA MB 1 80 VAL QG 3.655 2.310 5.000 2.286 1.676 2.905 0.634 21 8 "[ .* * ***- * 2+]" 1
35 1 8 ALA H 1 10 ALA MB 3.890 2.780 5.000 4.213 4.196 4.423 . 0 0 "[ . 1 . 2 ]" 1
36 1 10 ALA MB 1 80 VAL HA 2.935 . 3.990 2.052 1.886 2.278 . 0 0 "[ . 1 . 2 ]" 1
37 1 10 ALA MB 1 83 VAL QG 3.610 2.220 5.000 1.884 1.821 2.042 0.399 16 0 "[ . 1 . 2 ]" 1
38 1 11 ARG HA 1 11 ARG QD 3.200 . 4.600 3.852 3.347 4.055 . 0 0 "[ . 1 . 2 ]" 1
39 1 11 ARG HA 1 19 ILE MD 3.400 . 5.000 3.007 2.731 3.349 . 0 0 "[ . 1 . 2 ]" 1
40 1 11 ARG HA 1 79 LEU QD 3.400 . 5.000 2.007 1.872 2.272 . 0 0 "[ . 1 . 2 ]" 1
41 1 11 ARG H 1 11 ARG QB 2.510 . 3.220 2.072 2.037 2.156 . 0 0 "[ . 1 . 2 ]" 1
42 1 11 ARG QB 1 12 ALA H 2.780 . 3.760 2.943 2.887 3.002 . 0 0 "[ . 1 . 2 ]" 1
43 1 11 ARG QB 1 11 ARG QD 2.815 . 3.830 2.199 1.917 2.431 . 0 0 "[ . 1 . 2 ]" 1
44 1 11 ARG QB 1 19 ILE MD 3.605 2.210 5.000 3.247 2.836 3.635 . 0 0 "[ . 1 . 2 ]" 1
45 1 11 ARG QB 1 79 LEU QD 3.615 2.230 5.000 2.998 2.736 3.244 . 0 0 "[ . 1 . 2 ]" 1
46 1 11 ARG QD 1 19 ILE MD 3.500 . 5.000 3.406 2.919 3.695 . 0 0 "[ . 1 . 2 ]" 1
47 1 11 ARG QD 1 79 LEU QD 3.445 . 5.000 2.695 1.920 3.304 . 0 0 "[ . 1 . 2 ]" 1
48 1 11 ARG HA 1 11 ARG QG 3.065 . 4.330 2.175 2.048 2.246 . 0 0 "[ . 1 . 2 ]" 1
49 1 11 ARG QG 1 19 ILE MD 3.415 . 5.000 1.933 1.822 2.152 0.008 21 0 "[ . 1 . 2 ]" 1
50 1 11 ARG H 1 11 ARG QG 3.330 . 4.830 3.491 3.032 3.906 . 0 0 "[ . 1 . 2 ]" 1
51 1 11 ARG QG 1 79 LEU QD 3.400 . 5.000 1.939 1.689 2.332 0.111 1 0 "[ . 1 . 2 ]" 1
52 1 12 ALA HA 1 12 ALA MB 2.640 2.150 3.130 2.127 2.124 2.129 0.026 8 0 "[ . 1 . 2 ]" 1
53 1 12 ALA MB 1 13 PHE HA 3.885 2.770 5.000 3.925 3.885 3.938 . 0 0 "[ . 1 . 2 ]" 1
54 1 12 ALA HA 1 13 PHE HA 3.560 2.300 4.820 4.753 4.714 4.791 . 0 0 "[ . 1 . 2 ]" 1
55 1 13 PHE QB 1 14 LEU HG 2.855 . 3.900 2.749 2.531 3.059 . 0 0 "[ . 1 . 2 ]" 1
56 1 13 PHE QB 1 83 VAL QG 3.535 2.070 5.000 2.173 1.895 2.582 0.175 17 0 "[ . 1 . 2 ]" 1
57 1 14 LEU HA 1 14 LEU QD 3.400 . 5.000 2.511 2.096 3.149 . 0 0 "[ . 1 . 2 ]" 1
58 1 14 LEU QB 1 18 MET QG 2.585 . 3.330 2.616 2.460 2.680 . 0 0 "[ . 1 . 2 ]" 1
59 1 14 LEU QD 1 18 MET QG 3.400 . 5.000 1.867 1.742 2.133 0.058 18 0 "[ . 1 . 2 ]" 1
60 1 14 LEU QD 1 18 MET QB 3.400 . 5.000 2.433 2.224 2.667 . 0 0 "[ . 1 . 2 ]" 1
61 1 14 LEU QD 1 79 LEU QD 3.400 . 5.000 2.255 1.928 2.728 . 0 0 "[ . 1 . 2 ]" 1
62 1 11 ARG HA 1 14 LEU QD 3.575 2.160 4.990 3.477 2.796 3.707 . 0 0 "[ . 1 . 2 ]" 1
63 1 14 LEU QD 1 79 LEU HA 3.660 2.320 5.000 3.261 2.985 3.720 . 0 0 "[ . 1 . 2 ]" 1
64 1 14 LEU HG 1 18 MET QG 3.425 . 5.000 4.290 4.143 4.513 . 0 0 "[ . 1 . 2 ]" 1
65 1 15 SER HA 1 15 SER QB 2.750 . 3.620 2.399 2.202 2.539 . 0 0 "[ . 1 . 2 ]" 1
66 1 15 SER QB 1 17 GLU QB 2.335 . 2.870 2.321 2.302 2.614 . 0 0 "[ . 1 . 2 ]" 1
67 1 16 GLU HA 1 16 GLU QG 2.775 . 3.700 2.200 2.037 2.423 . 0 0 "[ . 1 . 2 ]" 1
68 1 16 GLU HA 1 19 ILE MG 3.575 2.190 4.960 3.789 3.579 4.157 . 0 0 "[ . 1 . 2 ]" 1
69 1 16 GLU HA 1 19 ILE QG 3.400 2.220 4.580 3.256 2.762 3.486 . 0 0 "[ . 1 . 2 ]" 1
70 1 16 GLU HA 1 19 ILE MD 3.160 . 4.520 2.466 2.256 2.759 . 0 0 "[ . 1 . 2 ]" 1
71 1 16 GLU QG 1 19 ILE MD 3.565 2.130 5.000 3.059 2.795 3.334 . 0 0 "[ . 1 . 2 ]" 1
72 1 17 GLU HA 1 17 GLU QG 2.860 . 3.820 2.219 2.000 2.618 . 0 0 "[ . 1 . 2 ]" 1
73 1 17 GLU QB 1 17 GLU QG 2.760 . 3.650 2.027 1.996 2.087 . 0 0 "[ . 1 . 2 ]" 1
74 1 17 GLU H 1 17 GLU QG 3.685 2.370 5.000 3.254 2.871 3.916 . 0 0 "[ . 1 . 2 ]" 1
75 1 14 LEU QB 1 18 MET QB 3.360 . 4.780 1.967 1.808 2.144 0.132 6 0 "[ . 1 . 2 ]" 1
76 1 18 MET HA 1 18 MET QG 3.130 . 4.460 2.409 2.326 2.547 . 0 0 "[ . 1 . 2 ]" 1
77 1 15 SER H 1 18 MET QG 3.525 2.050 5.000 4.461 4.407 4.539 . 0 0 "[ . 1 . 2 ]" 1
78 1 18 MET ME 1 18 MET QG 2.790 . 3.780 2.215 2.132 2.239 . 0 0 "[ . 1 . 2 ]" 1
79 1 18 MET ME 1 82 MET ME 3.535 2.070 5.000 2.589 1.881 3.472 0.189 21 0 "[ . 1 . 2 ]" 1
80 1 14 LEU QD 1 18 MET ME 3.090 . 4.240 2.617 2.542 2.628 . 0 0 "[ . 1 . 2 ]" 1
81 1 19 ILE HA 1 22 PHE QB 3.400 . 5.000 2.138 1.930 2.820 . 0 0 "[ . 1 . 2 ]" 1
82 1 19 ILE HA 1 19 ILE MG 2.940 . 4.020 2.481 2.397 2.547 . 0 0 "[ . 1 . 2 ]" 1
83 1 19 ILE HA 1 79 LEU QD 3.695 2.390 5.000 2.725 2.497 3.080 . 0 0 "[ . 1 . 2 ]" 1
84 1 16 GLU HA 1 19 ILE HB 2.610 . 3.420 2.486 2.195 2.840 . 0 0 "[ . 1 . 2 ]" 1
85 1 19 ILE HA 1 19 ILE HB 2.900 . 3.960 3.013 3.006 3.020 . 0 0 "[ . 1 . 2 ]" 1
86 1 19 ILE HB 1 19 ILE MD 2.965 . 4.050 2.401 2.283 2.511 . 0 0 "[ . 1 . 2 ]" 1
87 1 19 ILE HA 1 19 ILE MD 3.410 . 5.000 3.783 3.752 3.810 . 0 0 "[ . 1 . 2 ]" 1
88 1 19 ILE MD 1 19 ILE MG 3.250 . 4.700 1.889 1.675 2.094 0.125 8 0 "[ . 1 . 2 ]" 1
89 1 19 ILE MD 1 79 LEU QD 3.510 2.020 5.000 3.068 2.806 3.323 . 0 0 "[ . 1 . 2 ]" 1
90 1 11 ARG QG 1 19 ILE QG 3.060 . 4.170 2.561 2.327 2.846 . 0 0 "[ . 1 . 2 ]" 1
91 1 19 ILE QG 1 79 LEU QD 3.615 2.230 5.000 2.096 1.832 2.664 0.398 16 0 "[ . 1 . 2 ]" 1
92 1 19 ILE HA 1 19 ILE QG 2.795 . 3.790 2.310 2.262 2.405 . 0 0 "[ . 1 . 2 ]" 1
93 1 19 ILE QG 1 19 ILE MG 3.200 2.020 4.380 2.355 2.288 2.393 . 0 0 "[ . 1 . 2 ]" 1
94 1 19 ILE MG 1 23 LYS H 3.700 2.400 5.000 4.102 3.951 4.365 . 0 0 "[ . 1 . 2 ]" 1
95 1 19 ILE H 1 19 ILE MG 3.480 2.140 4.820 3.718 3.698 3.768 . 0 0 "[ . 1 . 2 ]" 1
96 1 19 ILE MG 1 20 ALA HA 3.400 . 5.000 3.035 2.877 3.474 . 0 0 "[ . 1 . 2 ]" 1
97 1 19 ILE MG 1 22 PHE QB 3.815 2.630 5.000 3.513 3.215 3.718 . 0 0 "[ . 1 . 2 ]" 1
98 1 11 ARG QD 1 19 ILE MG 3.860 2.720 5.000 3.695 3.385 3.720 . 0 0 "[ . 1 . 2 ]" 1
99 1 19 ILE MG 1 23 LYS QB 3.570 2.140 5.000 3.735 3.712 3.970 . 0 0 "[ . 1 . 2 ]" 1
100 1 19 ILE MG 1 20 ALA MB 3.745 2.490 5.000 3.522 3.478 4.229 . 0 0 "[ . 1 . 2 ]" 1
101 1 20 ALA HA 1 23 LYS QB 2.825 . 3.850 3.344 3.034 3.789 . 0 0 "[ . 1 . 2 ]" 1
102 1 19 ILE H 1 20 ALA MB 3.400 . 5.000 4.187 4.170 4.354 . 0 0 "[ . 1 . 2 ]" 1
103 1 20 ALA H 1 20 ALA MB 2.765 . 3.730 2.174 2.003 2.227 . 0 0 "[ . 1 . 2 ]" 1
104 1 20 ALA MB 1 21 GLU QG 3.400 . 5.000 3.029 2.899 3.158 . 0 0 "[ . 1 . 2 ]" 1
105 1 21 GLU HA 1 21 GLU QG 3.050 . 4.300 2.590 2.355 2.985 . 0 0 "[ . 1 . 2 ]" 1
106 1 22 PHE QB 1 79 LEU QD 3.420 . 5.000 2.886 2.445 3.228 . 0 0 "[ . 1 . 2 ]" 1
107 1 23 LYS HA 1 23 LYS QD 2.900 . 4.000 2.804 2.034 3.582 . 0 0 "[ . 1 . 2 ]" 1
108 1 23 LYS QB 1 23 LYS QD 3.025 . 4.250 2.108 1.950 2.399 . 0 0 "[ . 1 . 2 ]" 1
109 1 23 LYS QD 1 26 PHE QB 2.995 . 4.190 2.871 2.284 3.329 . 0 0 "[ . 1 . 2 ]" 1
110 1 23 LYS H 1 23 LYS QG 3.400 . 5.000 4.001 3.235 4.077 . 0 0 "[ . 1 . 2 ]" 1
111 1 23 LYS QE 1 23 LYS QG 3.000 . 4.160 2.104 1.954 2.321 . 0 0 "[ . 1 . 2 ]" 1
112 1 24 ALA HA 1 25 ALA HA 3.330 . 4.860 4.630 4.601 4.687 . 0 0 "[ . 1 . 2 ]" 1
113 1 23 LYS H 1 24 ALA MB 3.400 . 5.000 4.171 4.119 4.203 . 0 0 "[ . 1 . 2 ]" 1
114 1 24 ALA MB 1 26 PHE H 3.455 . 5.000 3.833 3.750 3.889 . 0 0 "[ . 1 . 2 ]" 1
115 1 24 ALA MB 1 25 ALA HA 3.400 . 5.000 3.776 3.736 3.820 . 0 0 "[ . 1 . 2 ]" 1
116 1 21 GLU QB 1 24 ALA MB 3.255 . 4.710 3.443 3.240 3.505 . 0 0 "[ . 1 . 2 ]" 1
117 1 25 ALA HA 1 28 MET QB 2.955 2.270 3.640 2.985 2.635 3.250 . 0 0 "[ . 1 . 2 ]" 1
118 1 25 ALA HA 1 25 ALA MB 2.760 . 3.640 2.122 2.113 2.126 . 0 0 "[ . 1 . 2 ]" 1
119 1 25 ALA MB 1 26 PHE HA 3.780 2.560 5.000 4.055 4.001 4.132 . 0 0 "[ . 1 . 2 ]" 1
120 1 23 LYS HA 1 26 PHE HA 3.360 . 4.920 4.362 4.196 4.506 . 0 0 "[ . 1 . 2 ]" 1
121 1 26 PHE HA 1 29 PHE QB 3.400 . 5.000 2.590 2.277 2.847 . 0 0 "[ . 1 . 2 ]" 1
122 1 26 PHE HA 1 37 ILE MD 3.400 . 5.000 3.255 2.949 3.811 . 0 0 "[ . 1 . 2 ]" 1
123 1 26 PHE H 1 26 PHE QB 3.330 . 4.860 2.155 2.061 2.253 . 0 0 "[ . 1 . 2 ]" 1
124 1 26 PHE QB 1 27 ASP H 3.400 . 5.000 2.845 2.257 2.934 . 0 0 "[ . 1 . 2 ]" 1
125 1 23 LYS HA 1 26 PHE QB 3.400 . 5.000 1.885 1.825 1.929 . 0 0 "[ . 1 . 2 ]" 1
126 1 26 PHE HA 1 27 ASP HA 3.400 . 5.000 4.691 4.661 4.742 . 0 0 "[ . 1 . 2 ]" 1
127 1 27 ASP HA 1 30 ASP QB 3.105 . 4.410 3.934 3.865 4.058 . 0 0 "[ . 1 . 2 ]" 1
128 1 28 MET HA 1 28 MET QG 2.770 . 3.690 2.378 2.053 2.987 . 0 0 "[ . 1 . 2 ]" 1
129 1 28 MET H 1 28 MET QB 3.050 . 4.230 2.255 2.048 2.550 . 0 0 "[ . 1 . 2 ]" 1
130 1 28 MET HA 1 28 MET QB 3.045 . 4.220 2.455 2.343 2.536 . 0 0 "[ . 1 . 2 ]" 1
131 1 29 PHE HA 1 45 VAL QG 3.400 2.100 4.700 3.196 2.633 3.493 . 0 0 "[ . 1 . 2 ]" 1
132 1 29 PHE QB 1 37 ILE MD 2.795 . 3.790 2.034 1.859 2.178 . 0 0 "[ . 1 . 2 ]" 1
133 1 30 ASP HA 1 30 ASP QB 2.750 . 3.620 2.438 2.397 2.528 . 0 0 "[ . 1 . 2 ]" 1
134 1 31 ALA HA 1 31 ALA MB 2.645 2.160 3.130 2.123 2.100 2.129 0.060 15 0 "[ . 1 . 2 ]" 1
135 1 31 ALA MB 1 33 GLY H 3.445 . 5.000 4.161 3.822 4.246 . 0 0 "[ . 1 . 2 ]" 1
136 1 32 ASP HA 1 32 ASP QB 2.745 . 3.590 2.187 2.182 2.188 . 0 0 "[ . 1 . 2 ]" 1
137 1 31 ALA MB 1 32 ASP HA 4.075 3.150 5.000 3.850 3.714 3.946 . 0 0 "[ . 1 . 2 ]" 1
138 1 36 ASP HA 1 74 ASP HA 3.090 . 4.200 4.086 3.568 4.218 0.018 18 0 "[ . 1 . 2 ]" 1
139 1 36 ASP QB 1 74 ASP HA 3.170 . 4.420 3.464 2.775 3.761 . 0 0 "[ . 1 . 2 ]" 1
140 1 36 ASP QB 1 72 THR HB 2.760 . 3.720 1.859 1.818 1.915 . 0 0 "[ . 1 . 2 ]" 1
141 1 36 ASP QB 1 73 ILE HB 2.955 . 4.000 3.612 3.574 3.898 . 0 0 "[ . 1 . 2 ]" 1
142 1 36 ASP QB 1 72 THR MG 3.600 2.200 5.000 2.952 2.691 3.202 . 0 0 "[ . 1 . 2 ]" 1
143 1 37 ILE HA 1 41 GLU QB 3.085 . 4.300 2.530 2.190 2.813 . 0 0 "[ . 1 . 2 ]" 1
144 1 37 ILE HA 1 37 ILE HB 2.900 . 4.000 3.017 3.011 3.020 . 0 0 "[ . 1 . 2 ]" 1
145 1 37 ILE HA 1 37 ILE QG 2.770 . 3.740 2.359 2.330 2.433 . 0 0 "[ . 1 . 2 ]" 1
146 1 37 ILE HA 1 37 ILE MG 3.400 . 5.000 2.438 2.352 2.527 . 0 0 "[ . 1 . 2 ]" 1
147 1 37 ILE HB 1 37 ILE MD 2.805 . 3.810 2.439 2.253 2.551 . 0 0 "[ . 1 . 2 ]" 1
148 1 37 ILE HB 1 73 ILE HB 2.235 . 2.670 1.906 1.815 1.992 . 0 0 "[ . 1 . 2 ]" 1
149 1 37 ILE HB 1 73 ILE MG 2.955 . 4.110 3.353 3.178 3.501 . 0 0 "[ . 1 . 2 ]" 1
150 1 37 ILE H 1 37 ILE MD 3.280 . 4.580 3.812 3.723 3.838 . 0 0 "[ . 1 . 2 ]" 1
151 1 37 ILE MD 1 41 GLU QB 3.610 2.220 5.000 3.730 3.713 3.885 . 0 0 "[ . 1 . 2 ]" 1
152 1 37 ILE MD 1 73 ILE HB 3.070 . 4.230 3.253 2.730 3.480 . 0 0 "[ . 1 . 2 ]" 1
153 1 37 ILE MD 1 37 ILE MG 2.820 . 3.840 1.862 1.725 2.231 0.075 2 0 "[ . 1 . 2 ]" 1
154 1 37 ILE MD 1 73 ILE MD 3.575 2.150 5.000 3.143 2.673 3.339 . 0 0 "[ . 1 . 2 ]" 1
155 1 30 ASP H 1 37 ILE MD 3.405 2.020 4.790 3.933 3.719 4.055 . 0 0 "[ . 1 . 2 ]" 1
156 1 37 ILE QG 1 37 ILE MG 3.145 . 4.490 2.316 2.142 2.422 . 0 0 "[ . 1 . 2 ]" 1
157 1 37 ILE H 1 37 ILE MG 3.330 . 4.860 3.765 3.735 3.810 . 0 0 "[ . 1 . 2 ]" 1
158 1 37 ILE MG 1 73 ILE H 3.400 . 5.000 4.172 4.131 4.257 . 0 0 "[ . 1 . 2 ]" 1
159 1 37 ILE MG 1 41 GLU H 3.400 . 5.000 3.819 3.650 3.946 . 0 0 "[ . 1 . 2 ]" 1
160 1 37 ILE MG 1 42 LEU HA 3.190 . 4.580 3.293 2.900 3.513 . 0 0 "[ . 1 . 2 ]" 1
161 1 29 PHE QB 1 37 ILE MG 3.400 . 5.000 3.388 2.832 3.718 . 0 0 "[ . 1 . 2 ]" 1
162 1 37 ILE MG 1 41 GLU QB 2.965 . 4.130 1.844 1.763 1.951 0.037 14 0 "[ . 1 . 2 ]" 1
163 1 37 ILE MG 1 73 ILE HB 2.940 . 4.080 3.425 3.402 3.619 . 0 0 "[ . 1 . 2 ]" 1
164 1 37 ILE MG 1 42 LEU HG 3.275 . 4.750 3.961 3.760 4.156 . 0 0 "[ . 1 . 2 ]" 1
165 1 38 SER QB 1 72 THR MG 3.400 . 5.000 3.447 2.681 3.711 . 0 0 "[ . 1 . 2 ]" 1
166 1 39 THR HA 1 39 THR HB 2.780 . 3.730 2.576 2.474 2.734 . 0 0 "[ . 1 . 2 ]" 1
167 1 39 THR HA 1 39 THR MG 2.815 . 3.780 2.328 2.023 2.455 . 0 0 "[ . 1 . 2 ]" 1
168 1 39 THR HA 1 62 ILE MD 2.910 . 4.020 1.895 1.838 1.982 . 0 0 "[ . 1 . 2 ]" 1
169 1 39 THR HB 1 39 THR MG 2.750 . 3.670 2.107 2.077 2.118 . 0 0 "[ . 1 . 2 ]" 1
170 1 39 THR HB 1 58 LEU QD 3.515 2.130 4.900 3.571 3.183 3.638 . 0 0 "[ . 1 . 2 ]" 1
171 1 39 THR HB 1 62 ILE MD 3.705 2.410 5.000 3.434 3.183 3.676 . 0 0 "[ . 1 . 2 ]" 1
172 1 39 THR MG 1 59 ASP HA 3.615 2.230 5.000 2.647 2.088 3.177 0.142 18 0 "[ . 1 . 2 ]" 1
173 1 39 THR MG 1 55 LYS QE 3.750 2.500 5.000 3.095 2.039 3.710 0.461 11 0 "[ . 1 . 2 ]" 1
174 1 39 THR MG 1 58 LEU QB 3.210 2.080 4.340 2.987 2.089 3.222 . 0 0 "[ . 1 . 2 ]" 1
175 1 39 THR MG 1 62 ILE HB 3.360 2.150 4.570 3.241 3.010 3.457 . 0 0 "[ . 1 . 2 ]" 1
176 1 39 THR MG 1 62 ILE QG 3.650 2.300 5.000 3.319 2.837 3.502 . 0 0 "[ . 1 . 2 ]" 1
177 1 39 THR MG 1 62 ILE MD 3.175 2.060 4.290 1.756 1.678 1.946 0.382 13 0 "[ . 1 . 2 ]" 1
178 1 39 THR MG 1 62 ILE MG 3.575 2.150 5.000 3.093 2.568 3.468 . 0 0 "[ . 1 . 2 ]" 1
179 1 40 LYS HA 1 40 LYS QD 3.400 . 5.000 3.641 2.106 4.202 . 0 0 "[ . 1 . 2 ]" 1
180 1 40 LYS HA 1 40 LYS QG 3.055 . 4.310 2.460 2.013 3.383 . 0 0 "[ . 1 . 2 ]" 1
181 1 40 LYS QB 1 40 LYS QE 3.350 . 4.900 3.159 2.184 3.751 . 0 0 "[ . 1 . 2 ]" 1
182 1 41 GLU HA 1 44 THR MG 3.400 . 5.000 4.033 3.834 4.166 . 0 0 "[ . 1 . 2 ]" 1
183 1 37 ILE MG 1 41 GLU HA 3.400 . 5.000 4.147 4.047 4.183 . 0 0 "[ . 1 . 2 ]" 1
184 1 41 GLU H 1 41 GLU QG 2.980 . 4.130 2.571 2.190 3.522 . 0 0 "[ . 1 . 2 ]" 1
185 1 41 GLU HA 1 41 GLU QG 2.830 . 3.860 2.258 2.001 2.387 . 0 0 "[ . 1 . 2 ]" 1
186 1 42 LEU HA 1 42 LEU HG 2.765 . 3.680 3.611 3.598 3.637 . 0 0 "[ . 1 . 2 ]" 1
187 1 42 LEU HA 1 45 VAL QG 3.580 2.160 5.000 2.914 2.762 3.081 . 0 0 "[ . 1 . 2 ]" 1
188 1 39 THR HA 1 42 LEU QB 2.875 . 3.880 3.104 2.798 3.460 . 0 0 "[ . 1 . 2 ]" 1
189 1 42 LEU QB 1 58 LEU QB 3.005 . 4.080 2.851 2.648 3.042 . 0 0 "[ . 1 . 2 ]" 1
190 1 42 LEU H 1 42 LEU QD 3.630 2.260 5.000 3.036 2.618 3.304 . 0 0 "[ . 1 . 2 ]" 1
191 1 42 LEU QD 1 46 MET QG 3.610 2.220 5.000 1.843 1.769 2.122 0.451 6 0 "[ . 1 . 2 ]" 1
192 1 42 LEU QB 1 42 LEU QD 2.885 . 3.930 2.050 2.003 2.096 . 0 0 "[ . 1 . 2 ]" 1
193 1 43 GLY QA 1 46 MET QB 2.900 . 3.960 2.457 2.207 3.020 . 0 0 "[ . 1 . 2 ]" 1
194 1 43 GLY QA 1 58 LEU QD 3.155 . 4.320 2.304 2.083 2.451 . 0 0 "[ . 1 . 2 ]" 1
195 1 44 THR HA 1 44 THR HB 2.815 . 3.800 2.987 2.973 3.023 . 0 0 "[ . 1 . 2 ]" 1
196 1 44 THR HA 1 47 ARG QD 3.005 . 4.100 3.581 3.355 3.662 . 0 0 "[ . 1 . 2 ]" 1
197 1 44 THR HA 1 44 THR MG 2.715 . 3.630 2.663 2.476 2.711 . 0 0 "[ . 1 . 2 ]" 1
198 1 41 GLU HA 1 44 THR HB 2.950 . 3.910 3.035 2.921 3.190 . 0 0 "[ . 1 . 2 ]" 1
199 1 44 THR HB 1 45 VAL QG 3.760 2.520 5.000 3.508 3.316 3.710 . 0 0 "[ . 1 . 2 ]" 1
200 1 29 PHE HA 1 44 THR HB 3.295 2.180 4.410 4.422 4.411 4.440 0.030 1 0 "[ . 1 . 2 ]" 1
201 1 44 THR H 1 44 THR MG 3.535 2.120 4.950 3.653 3.587 3.741 . 0 0 "[ . 1 . 2 ]" 1
202 1 44 THR MG 1 45 VAL H 3.620 2.240 5.000 1.985 1.938 2.464 0.302 10 0 "[ . 1 . 2 ]" 1
203 1 44 THR MG 1 45 VAL HA 3.640 2.280 5.000 2.941 2.889 3.099 . 0 0 "[ . 1 . 2 ]" 1
204 1 44 THR MG 1 48 MET QG 3.580 2.160 5.000 2.901 2.721 3.163 . 0 0 "[ . 1 . 2 ]" 1
205 1 44 THR MG 1 48 MET ME 3.410 . 5.000 3.485 3.458 3.671 . 0 0 "[ . 1 . 2 ]" 1
206 1 44 THR MG 1 45 VAL QG 3.690 2.380 5.000 3.131 3.102 3.615 . 0 0 "[ . 1 . 2 ]" 1
207 1 45 VAL HA 1 48 MET QB 3.400 . 5.000 3.939 3.870 4.159 . 0 0 "[ . 1 . 2 ]" 1
208 1 45 VAL HA 1 45 VAL HB 2.765 . 3.670 2.416 2.379 2.447 . 0 0 "[ . 1 . 2 ]" 1
209 1 45 VAL HA 1 45 VAL QG 3.085 . 4.340 2.282 2.234 2.381 . 0 0 "[ . 1 . 2 ]" 1
210 1 44 THR MG 1 45 VAL HB 3.685 2.370 5.000 2.845 2.716 3.349 . 0 0 "[ . 1 . 2 ]" 1
211 1 45 VAL QG 1 46 MET HA 3.600 2.200 5.000 3.116 3.013 3.188 . 0 0 "[ . 1 . 2 ]" 1
212 1 45 VAL QG 1 48 MET ME 3.465 . 5.000 1.854 1.782 1.976 0.148 18 0 "[ . 1 . 2 ]" 1
213 1 45 VAL QG 1 49 LEU QD 3.400 . 5.000 1.728 1.680 1.767 0.120 5 0 "[ . 1 . 2 ]" 1
214 1 45 VAL MG1 1 45 VAL MG2 3.170 . 4.470 2.017 1.908 2.083 . 0 0 "[ . 1 . 2 ]" 1
215 1 42 LEU QD 1 45 VAL QG 3.705 2.410 5.000 2.772 2.754 2.981 . 0 0 "[ . 1 . 2 ]" 1
216 1 46 MET HA 1 46 MET QG 2.925 . 4.050 2.490 2.110 2.732 . 0 0 "[ . 1 . 2 ]" 1
217 1 46 MET HA 1 51 GLN QB 3.180 2.030 4.330 3.013 2.818 3.196 . 0 0 "[ . 1 . 2 ]" 1
218 1 46 MET HA 1 49 LEU QD 3.400 . 5.000 3.373 2.869 3.627 . 0 0 "[ . 1 . 2 ]" 1
219 1 46 MET QB 1 58 LEU QD 3.330 2.010 4.650 3.083 3.076 3.094 . 0 0 "[ . 1 . 2 ]" 1
220 1 45 VAL QG 1 46 MET QB 3.530 2.060 5.000 3.319 3.307 3.357 . 0 0 "[ . 1 . 2 ]" 1
221 1 46 MET QG 1 53 PRO QG 3.505 2.010 5.000 2.810 1.975 3.776 0.035 5 0 "[ . 1 . 2 ]" 1
222 1 46 MET ME 1 46 MET QG 3.150 . 4.470 2.132 1.970 2.243 . 0 0 "[ . 1 . 2 ]" 1
223 1 46 MET QG 1 58 LEU QD 3.540 2.080 5.000 2.962 2.663 3.309 . 0 0 "[ . 1 . 2 ]" 1
224 1 46 MET ME 1 53 PRO QD 3.495 2.040 4.950 3.695 3.679 3.808 . 0 0 "[ . 1 . 2 ]" 1
225 1 47 ARG H 1 47 ARG QB 2.700 . 3.600 2.308 2.199 2.376 . 0 0 "[ . 1 . 2 ]" 1
226 1 44 THR HA 1 47 ARG QB 2.815 . 3.830 3.345 3.128 3.423 . 0 0 "[ . 1 . 2 ]" 1
227 1 47 ARG QB 1 47 ARG QD 2.875 . 3.950 2.122 1.998 2.297 . 0 0 "[ . 1 . 2 ]" 1
228 1 47 ARG H 1 47 ARG QD 3.780 2.560 5.000 3.760 3.382 4.096 . 0 0 "[ . 1 . 2 ]" 1
229 1 47 ARG H 1 47 ARG QG 3.135 . 4.300 2.713 2.581 2.975 . 0 0 "[ . 1 . 2 ]" 1
230 1 47 ARG QG 1 52 ASN HA 3.440 2.210 4.670 2.819 2.486 3.390 . 0 0 "[ . 1 . 2 ]" 1
231 1 48 MET QB 1 48 MET ME 3.400 . 5.000 3.554 3.448 3.611 . 0 0 "[ . 1 . 2 ]" 1
232 1 48 MET QB 1 49 LEU HG 3.400 . 5.000 4.447 4.279 4.468 . 0 0 "[ . 1 . 2 ]" 1
233 1 48 MET QG 1 49 LEU H 3.545 2.090 5.000 3.086 2.329 3.684 . 0 0 "[ . 1 . 2 ]" 1
234 1 48 MET HA 1 48 MET QG 3.175 . 4.530 3.345 3.335 3.355 . 0 0 "[ . 1 . 2 ]" 1
235 1 45 VAL HA 1 48 MET ME 2.930 . 4.050 2.037 1.939 2.147 . 0 0 "[ . 1 . 2 ]" 1
236 1 48 MET ME 1 48 MET QG 2.830 . 3.860 2.139 2.052 2.223 . 0 0 "[ . 1 . 2 ]" 1
237 1 48 MET ME 1 49 LEU HA 4.030 3.060 5.000 4.170 4.078 4.311 . 0 0 "[ . 1 . 2 ]" 1
238 1 49 LEU HA 1 49 LEU QD 2.775 . 3.710 1.996 1.913 2.131 . 0 0 "[ . 1 . 2 ]" 1
239 1 45 VAL QG 1 49 LEU QB 3.455 . 5.000 3.304 3.240 3.394 . 0 0 "[ . 1 . 2 ]" 1
240 1 46 MET HA 1 49 LEU QB 3.400 . 5.000 2.863 2.654 3.095 . 0 0 "[ . 1 . 2 ]" 1
241 1 49 LEU H 1 49 LEU QB 3.390 . 4.980 2.425 2.269 2.681 . 0 0 "[ . 1 . 2 ]" 1
242 1 49 LEU H 1 49 LEU QD 3.400 . 5.000 3.625 3.319 3.782 . 0 0 "[ . 1 . 2 ]" 1
243 1 45 VAL QG 1 49 LEU HG 3.410 . 5.000 2.188 1.968 2.474 . 0 0 "[ . 1 . 2 ]" 1
244 1 50 GLY QA 1 51 GLN H 2.775 2.080 3.470 2.754 2.693 2.848 . 0 0 "[ . 1 . 2 ]" 1
245 1 51 GLN HA 1 51 GLN QB 2.755 . 3.630 2.503 2.309 2.541 . 0 0 "[ . 1 . 2 ]" 1
246 1 51 GLN QB 1 53 PRO QD 3.120 . 4.250 2.022 1.847 2.206 0.143 21 0 "[ . 1 . 2 ]" 1
247 1 46 MET QB 1 51 GLN QB 2.240 . 2.660 2.100 1.958 2.212 . 0 0 "[ . 1 . 2 ]" 1
248 1 51 GLN QG 1 53 PRO QD 3.820 2.640 5.000 2.475 2.091 3.901 0.549 5 9 "[ * +* * 1- * ** * 2 ]" 1
249 1 51 GLN QB 1 51 GLN QG 2.750 . 3.610 2.016 2.005 2.020 . 0 0 "[ . 1 . 2 ]" 1
250 1 46 MET QB 1 52 ASN HA 3.570 2.350 4.790 4.223 4.077 4.279 . 0 0 "[ . 1 . 2 ]" 1
251 1 52 ASN HA 1 53 PRO QD 2.785 . 3.770 2.392 2.269 2.640 . 0 0 "[ . 1 . 2 ]" 1
252 1 52 ASN QB 1 53 PRO QD 3.460 2.160 4.760 3.808 3.788 3.824 . 0 0 "[ . 1 . 2 ]" 1
253 1 53 PRO QB 1 53 PRO QD 2.895 . 3.990 2.770 2.741 2.793 . 0 0 "[ . 1 . 2 ]" 1
254 1 53 PRO QB 1 58 LEU HG 2.690 . 3.580 1.954 1.899 2.010 . 0 0 "[ . 1 . 2 ]" 1
255 1 53 PRO QB 1 58 LEU QD 3.400 . 5.000 1.968 1.673 2.393 0.127 5 0 "[ . 1 . 2 ]" 1
256 1 53 PRO QB 1 57 GLU QB 2.715 . 3.630 2.070 1.868 2.580 . 0 0 "[ . 1 . 2 ]" 1
257 1 43 GLY QA 1 53 PRO QD 3.320 . 4.670 3.511 3.277 3.710 . 0 0 "[ . 1 . 2 ]" 1
258 1 53 PRO QD 1 53 PRO QG 2.750 . 3.690 1.965 1.961 1.971 . 0 0 "[ . 1 . 2 ]" 1
259 1 53 PRO QD 1 58 LEU QD 3.615 2.230 5.000 3.315 3.276 3.449 . 0 0 "[ . 1 . 2 ]" 1
260 1 43 GLY QA 1 53 PRO QG 3.630 2.260 5.000 3.017 2.657 3.877 . 0 0 "[ . 1 . 2 ]" 1
261 1 51 GLN QB 1 53 PRO QG 3.385 2.160 4.610 3.171 3.013 3.391 . 0 0 "[ . 1 . 2 ]" 1
262 1 53 PRO QG 1 58 LEU QD 3.270 2.110 4.430 1.813 1.757 2.238 0.353 14 0 "[ . 1 . 2 ]" 1
263 1 54 THR HA 1 54 THR MG 2.970 . 4.140 2.358 2.055 3.226 . 0 0 "[ . 1 . 2 ]" 1
264 1 55 LYS HA 1 55 LYS QD 3.285 . 4.770 3.023 1.986 4.018 . 0 0 "[ . 1 . 2 ]" 1
265 1 55 LYS HA 1 55 LYS QG 3.065 . 4.330 2.416 2.002 2.919 . 0 0 "[ . 1 . 2 ]" 1
266 1 55 LYS HA 1 58 LEU QD 3.150 . 4.500 3.036 2.440 3.339 . 0 0 "[ . 1 . 2 ]" 1
267 1 55 LYS QB 1 55 LYS QD 3.145 . 4.490 2.085 1.927 2.343 . 0 0 "[ . 1 . 2 ]" 1
268 1 55 LYS QE 1 55 LYS QG 3.285 . 4.770 2.071 1.955 2.385 . 0 0 "[ . 1 . 2 ]" 1
269 1 55 LYS HA 1 55 LYS QE 3.165 . 4.530 3.190 2.076 4.037 . 0 0 "[ . 1 . 2 ]" 1
270 1 56 CYS QB 1 57 GLU H 2.855 . 3.900 2.850 2.512 3.475 . 0 0 "[ . 1 . 2 ]" 1
271 1 57 GLU HA 1 60 ALA MB 2.955 . 4.010 3.032 2.668 3.250 . 0 0 "[ . 1 . 2 ]" 1
272 1 57 GLU QB 1 58 LEU HG 2.445 . 3.010 2.711 2.673 2.969 . 0 0 "[ . 1 . 2 ]" 1
273 1 57 GLU HA 1 57 GLU QG 3.110 . 4.420 2.375 2.005 3.068 . 0 0 "[ . 1 . 2 ]" 1
274 1 58 LEU H 1 58 LEU QB 2.970 . 4.140 2.599 2.574 2.629 . 0 0 "[ . 1 . 2 ]" 1
275 1 58 LEU QB 1 62 ILE QG 2.990 . 4.180 3.110 2.869 3.318 . 0 0 "[ . 1 . 2 ]" 1
276 1 58 LEU H 1 58 LEU QD 3.605 2.210 5.000 2.903 2.836 2.961 . 0 0 "[ . 1 . 2 ]" 1
277 1 42 LEU HG 1 58 LEU QD 2.930 . 3.970 2.191 1.942 2.652 . 0 0 "[ . 1 . 2 ]" 1
278 1 42 LEU QB 1 58 LEU QD 3.525 2.180 4.870 1.821 1.690 1.980 0.490 14 0 "[ . 1 . 2 ]" 1
279 1 58 LEU HA 1 58 LEU QD 2.735 . 3.670 2.541 2.443 2.683 . 0 0 "[ . 1 . 2 ]" 1
280 1 58 LEU HA 1 58 LEU HG 2.885 . 3.970 3.028 2.941 3.136 . 0 0 "[ . 1 . 2 ]" 1
281 1 59 ASP HA 1 62 ILE MG 3.735 2.470 5.000 4.174 4.163 4.255 . 0 0 "[ . 1 . 2 ]" 1
282 1 59 ASP HA 1 60 ALA HA 3.375 2.110 4.640 4.696 4.669 4.780 0.140 1 0 "[ . 1 . 2 ]" 1
283 1 59 ASP HA 1 63 CYS QB 3.435 2.140 4.730 4.221 4.111 4.249 . 0 0 "[ . 1 . 2 ]" 1
284 1 58 LEU QB 1 59 ASP HA 3.315 2.080 4.550 3.901 3.847 4.014 . 0 0 "[ . 1 . 2 ]" 1
285 1 59 ASP HA 1 62 ILE HB 2.880 . 3.910 2.857 2.796 2.909 . 0 0 "[ . 1 . 2 ]" 1
286 1 59 ASP HA 1 62 ILE QG 3.365 2.110 4.620 3.773 3.620 4.112 . 0 0 "[ . 1 . 2 ]" 1
287 1 60 ALA HA 1 63 CYS QB 2.910 2.250 3.570 3.145 2.922 3.193 . 0 0 "[ . 1 . 2 ]" 1
288 1 60 ALA HA 1 60 ALA MB 2.660 2.090 3.230 2.105 2.087 2.129 0.003 7 0 "[ . 1 . 2 ]" 1
289 1 60 ALA MB 1 61 ILE H 3.400 . 5.000 2.814 2.533 2.954 . 0 0 "[ . 1 . 2 ]" 1
290 1 61 ILE HA 1 64 GLU QB 3.505 2.320 4.690 2.851 2.542 3.207 . 0 0 "[ . 1 . 2 ]" 1
291 1 61 ILE HA 1 61 ILE QG 2.830 . 3.860 2.186 2.096 2.359 . 0 0 "[ . 1 . 2 ]" 1
292 1 61 ILE HA 1 65 VAL QG 3.790 2.580 5.000 3.492 3.218 3.770 . 0 0 "[ . 1 . 2 ]" 1
293 1 58 LEU HA 1 61 ILE HB 2.745 . 3.680 2.824 2.703 3.186 . 0 0 "[ . 1 . 2 ]" 1
294 1 61 ILE HA 1 61 ILE HB 2.775 . 3.720 3.007 2.997 3.024 . 0 0 "[ . 1 . 2 ]" 1
295 1 61 ILE H 1 61 ILE MD 2.840 . 3.880 2.308 1.999 2.501 . 0 0 "[ . 1 . 2 ]" 1
296 1 58 LEU HA 1 61 ILE MD 2.700 . 3.600 2.499 1.964 3.005 . 0 0 "[ . 1 . 2 ]" 1
297 1 61 ILE HA 1 61 ILE MD 2.845 . 3.890 3.058 2.503 3.375 . 0 0 "[ . 1 . 2 ]" 1
298 1 60 ALA MB 1 61 ILE MD 3.605 2.210 5.000 2.534 2.231 2.791 . 0 0 "[ . 1 . 2 ]" 1
299 1 61 ILE H 1 61 ILE QG 2.945 . 4.090 3.341 2.899 3.526 . 0 0 "[ . 1 . 2 ]" 1
300 1 61 ILE MG 1 62 ILE HA 3.585 2.170 5.000 2.997 2.856 3.342 . 0 0 "[ . 1 . 2 ]" 1
301 1 61 ILE H 1 61 ILE MG 3.140 . 4.370 3.680 3.655 3.766 . 0 0 "[ . 1 . 2 ]" 1
302 1 61 ILE MG 1 62 ILE H 3.220 . 4.500 2.684 2.528 3.049 . 0 0 "[ . 1 . 2 ]" 1
303 1 58 LEU HA 1 61 ILE MG 3.600 2.200 5.000 4.178 4.074 4.577 . 0 0 "[ . 1 . 2 ]" 1
304 1 61 ILE HA 1 61 ILE MG 2.730 . 3.660 2.530 2.326 2.598 . 0 0 "[ . 1 . 2 ]" 1
305 1 61 ILE MG 1 81 MET ME 3.440 2.030 4.850 2.720 2.466 2.858 . 0 0 "[ . 1 . 2 ]" 1
306 1 61 ILE MG 1 62 ILE QG 3.560 2.120 5.000 3.147 3.005 3.451 . 0 0 "[ . 1 . 2 ]" 1
307 1 61 ILE QG 1 61 ILE MG 2.975 . 4.120 2.029 1.952 2.105 . 0 0 "[ . 1 . 2 ]" 1
308 1 62 ILE HA 1 62 ILE HB 2.770 . 3.740 3.019 3.017 3.022 . 0 0 "[ . 1 . 2 ]" 1
309 1 62 ILE HA 1 62 ILE QG 2.760 . 3.720 2.330 2.304 2.409 . 0 0 "[ . 1 . 2 ]" 1
310 1 62 ILE HA 1 62 ILE MD 3.140 . 4.480 3.760 3.730 3.804 . 0 0 "[ . 1 . 2 ]" 1
311 1 62 ILE HA 1 62 ILE MG 2.975 . 4.080 2.407 2.380 2.465 . 0 0 "[ . 1 . 2 ]" 1
312 1 62 ILE H 1 62 ILE MD 3.485 . 5.000 3.645 3.601 3.717 . 0 0 "[ . 1 . 2 ]" 1
313 1 59 ASP HA 1 62 ILE MD 3.520 2.040 5.000 3.432 3.320 3.662 . 0 0 "[ . 1 . 2 ]" 1
314 1 62 ILE HB 1 62 ILE MD 2.865 . 3.930 2.512 2.392 2.543 . 0 0 "[ . 1 . 2 ]" 1
315 1 62 ILE MD 1 62 ILE MG 2.980 . 4.160 1.775 1.693 2.019 0.107 21 0 "[ . 1 . 2 ]" 1
316 1 62 ILE MG 1 71 GLY QA 3.395 . 4.960 1.988 1.819 2.617 0.011 4 0 "[ . 1 . 2 ]" 1
317 1 62 ILE MG 1 66 ASP QB 3.400 . 5.000 3.141 2.941 3.359 . 0 0 "[ . 1 . 2 ]" 1
318 1 62 ILE MG 1 73 ILE QG 3.320 . 4.840 3.171 2.891 3.390 . 0 0 "[ . 1 . 2 ]" 1
319 1 63 CYS HA 1 66 ASP QB 2.710 . 3.610 3.254 3.219 3.740 0.130 1 0 "[ . 1 . 2 ]" 1
320 1 65 VAL HA 1 65 VAL HB 2.740 . 3.630 2.990 2.304 3.027 . 0 0 "[ . 1 . 2 ]" 1
321 1 65 VAL HA 1 65 VAL QG 3.145 2.090 4.200 2.124 2.070 2.476 0.020 2 0 "[ . 1 . 2 ]" 1
322 1 65 VAL QG 1 81 MET HA 3.400 . 5.000 1.824 1.684 1.938 0.116 10 0 "[ . 1 . 2 ]" 1
323 1 62 ILE HA 1 65 VAL QG 3.430 . 5.000 2.404 1.828 2.902 0.032 16 0 "[ . 1 . 2 ]" 1
324 1 65 VAL QG 1 77 GLU QG 3.440 . 5.000 3.273 2.983 3.312 . 0 0 "[ . 1 . 2 ]" 1
325 1 65 VAL QG 1 73 ILE MG 3.460 . 5.000 2.403 1.823 2.999 0.097 13 0 "[ . 1 . 2 ]" 1
326 1 65 VAL QG 1 81 MET H 3.400 . 5.000 2.999 2.640 3.692 . 0 0 "[ . 1 . 2 ]" 1
327 1 65 VAL QG 1 81 MET ME 3.485 . 5.000 3.127 3.105 3.328 . 0 0 "[ . 1 . 2 ]" 1
328 1 65 VAL QG 1 66 ASP H 3.750 2.500 5.000 3.000 2.097 3.248 0.403 16 0 "[ . 1 . 2 ]" 1
329 1 65 VAL HB 1 65 VAL QG 2.755 . 3.640 1.890 1.880 1.896 . 0 0 "[ . 1 . 2 ]" 1
330 1 65 VAL QG 1 81 MET QG 3.535 2.300 4.770 2.902 2.650 3.220 . 0 0 "[ . 1 . 2 ]" 1
331 1 65 VAL QG 1 81 MET QB 3.180 2.120 4.240 1.581 1.556 1.666 0.564 10 20 "[-********+***** *****]" 1
332 1 65 VAL QG 1 73 ILE QG 3.760 2.520 5.000 2.205 1.866 2.743 0.654 16 8 "[ - . ** ** .+* 2*]" 1
333 1 67 GLU QB 1 68 ASP H 3.400 2.070 4.730 3.448 2.830 4.040 . 0 0 "[ . 1 . 2 ]" 1
334 1 4 THR MG 1 67 GLU QB 3.645 2.290 5.000 3.499 2.154 3.717 0.136 20 0 "[ . 1 . 2 ]" 1
335 1 67 GLU HA 1 67 GLU QG 3.140 . 4.480 2.712 2.094 3.413 . 0 0 "[ . 1 . 2 ]" 1
336 1 70 SER HA 1 70 SER QB 2.745 . 3.600 2.169 2.162 2.177 . 0 0 "[ . 1 . 2 ]" 1
337 1 69 GLY QA 1 70 SER HA 3.595 2.420 4.770 4.011 3.992 4.062 . 0 0 "[ . 1 . 2 ]" 1
338 1 70 SER HA 1 71 GLY QA 3.665 2.330 5.000 4.284 4.250 4.326 . 0 0 "[ . 1 . 2 ]" 1
339 1 70 SER QB 1 72 THR H 2.425 . 2.920 2.620 2.584 2.851 . 0 0 "[ . 1 . 2 ]" 1
340 1 70 SER QB 1 72 THR MG 3.305 2.260 4.350 2.914 2.338 3.229 . 0 0 "[ . 1 . 2 ]" 1
341 1 71 GLY QA 1 72 THR MG 3.730 2.460 5.000 3.548 3.310 3.718 . 0 0 "[ . 1 . 2 ]" 1
342 1 62 ILE MD 1 71 GLY QA 3.810 2.620 5.000 3.736 3.713 4.045 . 0 0 "[ . 1 . 2 ]" 1
343 1 72 THR HA 1 72 THR HB 2.770 . 3.700 2.436 2.336 2.545 . 0 0 "[ . 1 . 2 ]" 1
344 1 72 THR HB 1 72 THR MG 2.760 . 3.650 2.097 2.072 2.119 . 0 0 "[ . 1 . 2 ]" 1
345 1 72 THR MG 1 73 ILE H 3.590 2.320 4.860 3.927 3.763 4.051 . 0 0 "[ . 1 . 2 ]" 1
346 1 73 ILE HA 1 73 ILE MG 2.985 . 4.170 2.335 2.219 2.402 . 0 0 "[ . 1 . 2 ]" 1
347 1 73 ILE HA 1 73 ILE QG 2.775 . 3.700 2.499 2.441 2.546 . 0 0 "[ . 1 . 2 ]" 1
348 1 73 ILE HB 1 73 ILE MG 2.670 2.050 3.290 2.116 2.093 2.129 . 0 0 "[ . 1 . 2 ]" 1
349 1 62 ILE HA 1 73 ILE MD 3.200 2.030 4.370 3.620 3.368 3.699 . 0 0 "[ . 1 . 2 ]" 1
350 1 73 ILE MD 1 73 ILE MG 3.275 2.070 4.480 2.022 1.811 2.276 0.259 4 0 "[ . 1 . 2 ]" 1
351 1 73 ILE H 1 73 ILE MD 3.710 2.420 5.000 3.687 3.393 3.916 . 0 0 "[ . 1 . 2 ]" 1
352 1 62 ILE HA 1 73 ILE QG 3.020 . 4.150 3.714 3.653 3.826 . 0 0 "[ . 1 . 2 ]" 1
353 1 65 VAL HB 1 73 ILE QG 3.005 . 4.120 3.363 2.924 3.685 . 0 0 "[ . 1 . 2 ]" 1
354 1 73 ILE QG 1 73 ILE MG 3.130 . 4.460 2.249 2.102 2.330 . 0 0 "[ . 1 . 2 ]" 1
355 1 37 ILE MG 1 73 ILE QG 3.420 2.060 4.780 3.432 3.221 3.572 . 0 0 "[ . 1 . 2 ]" 1
356 1 73 ILE MG 1 78 PHE HA 3.030 . 4.260 2.111 1.927 2.458 . 0 0 "[ . 1 . 2 ]" 1
357 1 73 ILE MG 1 78 PHE QB 3.390 . 4.980 2.578 2.203 3.700 . 0 0 "[ . 1 . 2 ]" 1
358 1 73 ILE MG 1 77 GLU QG 3.455 . 5.000 3.715 3.611 3.903 . 0 0 "[ . 1 . 2 ]" 1
359 1 73 ILE MG 1 77 GLU QB 3.160 . 4.520 1.895 1.823 2.069 . 0 0 "[ . 1 . 2 ]" 1
360 1 74 ASP HA 1 77 GLU QB 3.480 2.290 4.670 3.642 3.533 3.806 . 0 0 "[ . 1 . 2 ]" 1
361 1 76 GLU HA 1 79 LEU HG 3.105 . 4.370 4.289 3.885 4.378 0.008 20 0 "[ . 1 . 2 ]" 1
362 1 76 GLU HA 1 76 GLU QG 3.100 . 4.370 2.605 2.256 3.411 . 0 0 "[ . 1 . 2 ]" 1
363 1 76 GLU HA 1 79 LEU QD 3.400 . 5.000 1.902 1.831 2.027 . 0 0 "[ . 1 . 2 ]" 1
364 1 77 GLU HA 1 77 GLU QG 2.825 . 3.850 2.183 2.129 2.227 . 0 0 "[ . 1 . 2 ]" 1
365 1 77 GLU HA 1 80 VAL QG 3.600 2.200 5.000 2.197 1.875 2.773 0.325 3 0 "[ . 1 . 2 ]" 1
366 1 78 PHE HA 1 81 MET QB 2.840 . 3.860 3.491 3.444 3.591 . 0 0 "[ . 1 . 2 ]" 1
367 1 78 PHE HA 1 81 MET ME 3.400 . 5.000 4.201 4.170 4.378 . 0 0 "[ . 1 . 2 ]" 1
368 1 73 ILE MD 1 78 PHE HA 3.635 2.270 5.000 3.467 2.968 3.878 . 0 0 "[ . 1 . 2 ]" 1
369 1 79 LEU HA 1 82 MET QB 2.950 . 3.940 3.508 3.200 3.618 . 0 0 "[ . 1 . 2 ]" 1
370 1 79 LEU HA 1 79 LEU HG 2.960 . 4.070 2.455 2.387 2.627 . 0 0 "[ . 1 . 2 ]" 1
371 1 79 LEU HA 1 79 LEU QD 3.345 . 4.890 2.984 2.803 3.077 . 0 0 "[ . 1 . 2 ]" 1
372 1 10 ALA MB 1 79 LEU QB 3.485 . 5.000 1.887 1.786 2.102 0.184 11 0 "[ . 1 . 2 ]" 1
373 1 79 LEU QB 1 80 VAL H 3.095 . 4.390 2.535 2.365 2.752 . 0 0 "[ . 1 . 2 ]" 1
374 1 79 LEU H 1 79 LEU QD 3.410 . 5.000 2.569 2.234 2.883 . 0 0 "[ . 1 . 2 ]" 1
375 1 10 ALA MB 1 79 LEU QD 3.500 . 5.000 2.928 2.593 3.090 . 0 0 "[ . 1 . 2 ]" 1
376 1 19 ILE MG 1 79 LEU QD 3.400 . 5.000 3.064 2.796 3.115 . 0 0 "[ . 1 . 2 ]" 1
377 1 78 PHE H 1 79 LEU QD 3.615 2.230 5.000 3.490 3.204 3.840 . 0 0 "[ . 1 . 2 ]" 1
378 1 22 PHE QB 1 79 LEU HG 3.605 2.210 5.000 3.255 2.837 4.294 . 0 0 "[ . 1 . 2 ]" 1
379 1 80 VAL HA 1 80 VAL HB 2.765 . 3.670 2.743 2.486 3.022 . 0 0 "[ . 1 . 2 ]" 1
380 1 80 VAL HA 1 83 VAL HB 2.670 . 3.540 2.077 1.884 2.510 . 0 0 "[ . 1 . 2 ]" 1
381 1 80 VAL HA 1 83 VAL QG 3.530 2.060 5.000 1.956 1.858 2.220 0.202 3 0 "[ . 1 . 2 ]" 1
382 1 80 VAL HA 1 80 VAL QG 2.805 . 3.750 2.110 2.058 2.252 . 0 0 "[ . 1 . 2 ]" 1
383 1 77 GLU HA 1 80 VAL HB 2.800 2.150 3.450 3.216 2.548 3.698 0.248 1 0 "[ . 1 . 2 ]" 1
384 1 80 VAL HB 1 80 VAL QG 2.675 2.030 3.320 1.882 1.858 1.894 0.172 1 0 "[ . 1 . 2 ]" 1
385 1 80 VAL QG 1 83 VAL QG 3.805 2.610 5.000 2.769 2.749 3.002 . 0 0 "[ . 1 . 2 ]" 1
386 1 80 VAL QG 1 81 MET HA 3.700 2.400 5.000 3.248 2.855 3.721 . 0 0 "[ . 1 . 2 ]" 1
387 1 80 VAL QG 1 84 ARG QD 3.400 . 5.000 3.054 2.737 3.316 . 0 0 "[ . 1 . 2 ]" 1
388 1 80 VAL MG1 1 80 VAL MG2 2.880 . 3.840 2.063 1.897 2.095 0.023 1 0 "[ . 1 . 2 ]" 1
389 1 77 GLU QG 1 80 VAL QG 3.765 2.530 5.000 2.788 2.367 3.313 0.163 3 0 "[ . 1 . 2 ]" 1
390 1 79 LEU H 1 80 VAL QG 3.760 2.520 5.000 3.564 3.443 3.718 . 0 0 "[ . 1 . 2 ]" 1
391 1 81 MET HA 1 84 ARG QD 3.445 . 5.000 4.325 4.000 4.464 . 0 0 "[ . 1 . 2 ]" 1
392 1 81 MET HA 1 81 MET QG 2.860 . 3.920 3.295 3.283 3.312 . 0 0 "[ . 1 . 2 ]" 1
393 1 81 MET HA 1 81 MET ME 3.400 . 5.000 3.959 3.774 4.119 . 0 0 "[ . 1 . 2 ]" 1
394 1 73 ILE MG 1 81 MET QB 3.575 2.150 5.000 3.132 2.771 3.505 . 0 0 "[ . 1 . 2 ]" 1
395 1 81 MET QG 1 82 MET QB 2.800 . 3.800 3.013 2.901 3.139 . 0 0 "[ . 1 . 2 ]" 1
396 1 81 MET ME 1 81 MET QG 2.745 . 3.690 2.371 2.246 2.447 . 0 0 "[ . 1 . 2 ]" 1
397 1 81 MET ME 1 82 MET ME 3.390 . 4.980 3.182 2.306 3.490 . 0 0 "[ . 1 . 2 ]" 1
398 1 82 MET HA 1 82 MET ME 3.390 . 4.980 4.132 3.596 4.596 . 0 0 "[ . 1 . 2 ]" 1
399 1 82 MET HA 1 85 GLN QB 3.320 . 4.800 3.150 2.811 4.140 . 0 0 "[ . 1 . 2 ]" 1
400 1 81 MET ME 1 82 MET QB 3.295 . 4.650 2.964 2.387 3.458 . 0 0 "[ . 1 . 2 ]" 1
401 1 18 MET QG 1 82 MET ME 3.220 . 4.640 3.108 2.553 3.463 . 0 0 "[ . 1 . 2 ]" 1
402 1 82 MET ME 1 86 MET ME 3.400 . 5.000 2.491 1.799 3.457 0.001 21 0 "[ . 1 . 2 ]" 1
403 1 82 MET QB 1 82 MET ME 3.050 . 4.300 2.252 1.898 3.119 . 0 0 "[ . 1 . 2 ]" 1
404 1 83 VAL HA 1 83 VAL QG 2.995 . 4.140 2.121 2.063 2.171 . 0 0 "[ . 1 . 2 ]" 1
405 1 83 VAL HA 1 86 MET QG 3.150 2.070 4.230 3.613 1.838 3.777 0.232 19 0 "[ . 1 . 2 ]" 1
406 1 83 VAL HA 1 86 MET QB 2.965 . 4.130 2.281 1.971 3.735 . 0 0 "[ . 1 . 2 ]" 1
407 1 83 VAL HA 1 86 MET ME 3.475 . 5.000 3.384 3.184 3.540 . 0 0 "[ . 1 . 2 ]" 1
408 1 83 VAL HA 1 83 VAL HB 2.765 . 3.670 3.025 3.021 3.026 . 0 0 "[ . 1 . 2 ]" 1
409 1 83 VAL HB 1 84 ARG QG 2.925 . 3.900 3.353 3.190 3.484 . 0 0 "[ . 1 . 2 ]" 1
410 1 83 VAL QG 1 84 ARG H 3.580 2.160 5.000 3.309 3.191 3.452 . 0 0 "[ . 1 . 2 ]" 1
411 1 83 VAL QG 1 84 ARG HA 3.425 . 5.000 3.521 3.386 3.704 . 0 0 "[ . 1 . 2 ]" 1
412 1 83 VAL QG 1 87 LYS QE 3.420 . 4.890 2.538 1.640 3.231 0.310 19 0 "[ . 1 . 2 ]" 1
413 1 83 VAL QG 1 87 LYS H 3.665 2.330 5.000 3.678 3.461 3.732 . 0 0 "[ . 1 . 2 ]" 1
414 1 82 MET H 1 83 VAL QG 3.740 2.480 5.000 3.693 3.526 3.724 . 0 0 "[ . 1 . 2 ]" 1
415 1 10 ALA H 1 83 VAL QG 3.675 2.350 5.000 3.756 3.735 3.943 . 0 0 "[ . 1 . 2 ]" 1
416 1 83 VAL QG 1 86 MET ME 3.820 2.640 5.000 3.100 3.066 3.170 . 0 0 "[ . 1 . 2 ]" 1
417 1 83 VAL MG1 1 83 VAL MG2 3.110 . 4.270 2.041 1.910 2.092 0.040 12 0 "[ . 1 . 2 ]" 1
418 1 84 ARG HA 1 84 ARG QD 2.965 . 4.130 3.638 3.379 3.697 . 0 0 "[ . 1 . 2 ]" 1
419 1 84 ARG HA 1 87 LYS QD 3.405 . 5.000 3.978 2.631 4.506 . 0 0 "[ . 1 . 2 ]" 1
420 1 84 ARG H 1 84 ARG QB 3.185 . 4.570 2.464 2.369 2.567 . 0 0 "[ . 1 . 2 ]" 1
421 1 84 ARG QB 1 85 GLN H 3.400 . 5.000 3.062 2.871 3.285 . 0 0 "[ . 1 . 2 ]" 1
422 1 81 MET HA 1 84 ARG QB 3.405 . 5.000 3.646 3.287 3.963 . 0 0 "[ . 1 . 2 ]" 1
423 1 84 ARG HA 1 84 ARG QG 2.820 . 3.840 2.393 2.288 2.542 . 0 0 "[ . 1 . 2 ]" 1
424 1 84 ARG QD 1 84 ARG QG 2.930 . 4.010 2.043 1.968 2.073 . 0 0 "[ . 1 . 2 ]" 1
425 1 80 VAL QG 1 84 ARG QG 3.645 2.290 5.000 2.214 1.854 2.542 0.436 10 0 "[ . 1 . 2 ]" 1
426 1 85 GLN HA 1 85 GLN QG 3.050 . 4.270 3.141 2.695 3.480 . 0 0 "[ . 1 . 2 ]" 1
427 1 82 MET HA 1 85 GLN QG 2.670 2.170 3.170 2.800 2.057 2.933 0.113 10 0 "[ . 1 . 2 ]" 1
428 1 61 ILE QG 1 85 GLN QG 3.075 2.450 3.700 2.959 2.940 3.237 . 0 0 "[ . 1 . 2 ]" 1
429 1 86 MET HA 1 86 MET QG 2.900 . 4.000 2.243 2.124 3.320 . 0 0 "[ . 1 . 2 ]" 1
430 1 86 MET H 1 86 MET QB 2.795 . 3.790 2.209 2.078 2.645 . 0 0 "[ . 1 . 2 ]" 1
431 1 86 MET QB 1 87 LYS QD 3.505 2.010 5.000 3.377 1.995 3.974 0.015 17 0 "[ . 1 . 2 ]" 1
432 1 86 MET ME 1 86 MET QG 3.355 . 4.910 2.097 1.958 2.349 . 0 0 "[ . 1 . 2 ]" 1
433 1 82 MET QB 1 86 MET QG 2.830 . 3.860 2.940 2.542 3.078 . 0 0 "[ . 1 . 2 ]" 1
434 1 18 MET ME 1 86 MET ME 3.195 . 4.430 1.841 1.746 2.035 0.214 11 0 "[ . 1 . 2 ]" 1
435 1 87 LYS HA 1 87 LYS QD 3.280 . 4.730 3.698 2.993 4.190 . 0 0 "[ . 1 . 2 ]" 1
436 1 87 LYS HA 1 87 LYS QG 3.130 . 4.460 2.404 2.073 3.461 . 0 0 "[ . 1 . 2 ]" 1
437 1 87 LYS QB 1 87 LYS QD 3.105 . 4.410 2.142 1.919 2.415 . 0 0 "[ . 1 . 2 ]" 1
438 1 83 VAL QG 1 87 LYS QD 3.450 . 5.000 1.792 1.640 2.031 0.260 19 0 "[ . 1 . 2 ]" 1
439 1 87 LYS QE 1 87 LYS QG 3.265 . 4.730 2.238 1.979 2.683 . 0 0 "[ . 1 . 2 ]" 1
440 1 83 VAL QG 1 87 LYS QG 3.525 2.050 5.000 3.216 2.571 3.392 . 0 0 "[ . 1 . 2 ]" 1
441 1 87 LYS QB 1 87 LYS QE 2.960 . 4.120 2.667 1.923 3.282 . 0 0 "[ . 1 . 2 ]" 1
442 1 88 GLU HA 1 88 GLU QG 3.385 . 4.970 2.358 2.044 3.382 . 0 0 "[ . 1 . 2 ]" 1
443 1 89 ASP QB 1 90 ALA H 3.530 2.810 4.250 3.045 2.502 3.892 0.308 5 0 "[ . 1 . 2 ]" 1
444 1 90 ALA HA 1 90 ALA MB 2.750 . 3.620 2.110 2.096 2.128 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 346
_Distance_constraint_stats_list.Viol_count 836
_Distance_constraint_stats_list.Viol_total 2595.733
_Distance_constraint_stats_list.Viol_max 0.611
_Distance_constraint_stats_list.Viol_rms 0.0626
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0170
_Distance_constraint_stats_list.Viol_average_violations_only 0.1479
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 2 SER 0.005 0.005 8 0 "[ . 1 . 2 ]"
1 3 MET 0.455 0.242 9 0 "[ . 1 . 2 ]"
1 4 THR 0.667 0.242 9 0 "[ . 1 . 2 ]"
1 5 ASP 0.169 0.093 1 0 "[ . 1 . 2 ]"
1 6 GLN 0.609 0.176 21 0 "[ . 1 . 2 ]"
1 7 GLN 5.656 0.328 16 0 "[ . 1 . 2 ]"
1 8 ALA 2.773 0.248 5 0 "[ . 1 . 2 ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ALA 7.263 0.400 11 0 "[ . 1 . 2 ]"
1 11 ARG 4.400 0.400 11 0 "[ . 1 . 2 ]"
1 12 ALA 0.703 0.092 1 0 "[ . 1 . 2 ]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 LEU 2.646 0.611 2 1 "[ + . 1 . 2 ]"
1 15 SER 7.202 0.282 6 0 "[ . 1 . 2 ]"
1 16 GLU 2.502 0.210 12 0 "[ . 1 . 2 ]"
1 17 GLU 11.264 0.328 1 0 "[ . 1 . 2 ]"
1 18 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ILE 9.079 0.512 19 2 "[ . 1- . +2 ]"
1 20 ALA 9.136 0.512 19 2 "[ . 1- . +2 ]"
1 21 GLU 1.421 0.537 1 1 "[+ . 1 . 2 ]"
1 22 PHE 3.921 0.222 1 0 "[ . 1 . 2 ]"
1 23 LYS 0.086 0.050 1 0 "[ . 1 . 2 ]"
1 24 ALA 7.440 0.537 1 1 "[+ . 1 . 2 ]"
1 25 ALA 6.019 0.343 20 0 "[ . 1 . 2 ]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 PHE 1.189 0.121 1 0 "[ . 1 . 2 ]"
1 30 ASP 0.429 0.162 15 0 "[ . 1 . 2 ]"
1 31 ALA 4.603 0.275 15 0 "[ . 1 . 2 ]"
1 32 ASP 3.113 0.275 15 0 "[ . 1 . 2 ]"
1 33 GLY 0.009 0.009 15 0 "[ . 1 . 2 ]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 GLY 2.608 0.249 17 0 "[ . 1 . 2 ]"
1 36 ASP 6.778 0.249 17 0 "[ . 1 . 2 ]"
1 37 ILE 4.445 0.244 19 0 "[ . 1 . 2 ]"
1 38 SER 4.222 0.177 14 0 "[ . 1 . 2 ]"
1 39 THR 4.505 0.448 20 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 GLU 3.275 0.177 14 0 "[ . 1 . 2 ]"
1 42 LEU 0.012 0.012 1 0 "[ . 1 . 2 ]"
1 43 GLY 1.829 0.302 1 0 "[ . 1 . 2 ]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 VAL 10.976 0.536 14 4 "[ * * 1 +. - ]"
1 46 MET 8.136 0.536 14 4 "[ * * 1 +. - ]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 MET 4.622 0.270 14 0 "[ . 1 . 2 ]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 GLY 0.336 0.200 1 0 "[ . 1 . 2 ]"
1 51 GLN 0.739 0.091 3 0 "[ . 1 . 2 ]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLU 2.056 0.253 13 0 "[ . 1 . 2 ]"
1 58 LEU 2.825 0.302 1 0 "[ . 1 . 2 ]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 ILE 0.055 0.055 1 0 "[ . 1 . 2 ]"
1 63 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 GLU 0.004 0.004 13 0 "[ . 1 . 2 ]"
1 65 VAL 2.989 0.436 16 0 "[ . 1 . 2 ]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 GLU 0.738 0.245 7 0 "[ . 1 . 2 ]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 THR 0.567 0.253 2 0 "[ . 1 . 2 ]"
1 73 ILE 0.217 0.076 14 0 "[ . 1 . 2 ]"
1 74 ASP 5.299 0.254 14 0 "[ . 1 . 2 ]"
1 75 PHE 0.072 0.035 9 0 "[ . 1 . 2 ]"
1 76 GLU 0.936 0.229 7 0 "[ . 1 . 2 ]"
1 77 GLU 1.366 0.179 1 0 "[ . 1 . 2 ]"
1 78 PHE 0.121 0.056 18 0 "[ . 1 . 2 ]"
1 79 LEU 0.039 0.017 20 0 "[ . 1 . 2 ]"
1 80 VAL 5.638 0.351 12 0 "[ . 1 . 2 ]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 VAL 1.944 0.304 20 0 "[ . 1 . 2 ]"
1 84 ARG 3.746 0.293 5 0 "[ . 1 . 2 ]"
1 85 GLN 3.661 0.302 10 0 "[ . 1 . 2 ]"
1 86 MET 1.406 0.417 1 0 "[ . 1 . 2 ]"
1 87 LYS 1.980 0.417 1 0 "[ . 1 . 2 ]"
1 88 GLU 1.933 0.297 12 0 "[ . 1 . 2 ]"
1 89 ASP 0.008 0.007 20 0 "[ . 1 . 2 ]"
1 90 ALA 1.363 0.280 20 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 2 SER HA 1 3 MET H 3.014 . 4.228 2.372 2.137 2.718 . 0 0 "[ . 1 . 2 ]" 2
2 1 2 SER QB 1 3 MET H 3.493 . 5.000 2.836 1.981 3.777 0.005 8 0 "[ . 1 . 2 ]" 2
3 1 3 MET H 1 3 MET QB 3.409 . 5.000 2.868 2.583 3.350 . 0 0 "[ . 1 . 2 ]" 2
4 1 3 MET H 1 5 ASP H 3.400 . 5.000 4.997 4.807 5.093 0.093 1 0 "[ . 1 . 2 ]" 2
5 1 4 THR H 1 4 THR HA 2.952 2.261 3.643 2.871 2.789 2.945 . 0 0 "[ . 1 . 2 ]" 2
6 1 3 MET QB 1 4 THR H 2.908 2.232 3.584 2.593 1.990 3.196 0.242 9 0 "[ . 1 . 2 ]" 2
7 1 4 THR H 1 4 THR MG 3.012 2.301 3.723 2.540 2.136 3.102 0.165 9 0 "[ . 1 . 2 ]" 2
8 1 4 THR MG 1 5 ASP H 3.748 2.496 5.000 4.108 3.971 4.170 . 0 0 "[ . 1 . 2 ]" 2
9 1 5 ASP H 1 6 GLN H 3.270 . 4.563 2.436 2.174 2.760 . 0 0 "[ . 1 . 2 ]" 2
10 1 5 ASP H 1 5 ASP QB 3.152 . 4.453 2.505 2.221 2.978 . 0 0 "[ . 1 . 2 ]" 2
11 1 6 GLN H 1 7 GLN H 2.890 . 3.957 2.761 2.505 2.870 . 0 0 "[ . 1 . 2 ]" 2
12 1 6 GLN H 1 6 GLN QG 3.269 2.019 4.519 2.229 1.966 2.451 0.053 5 0 "[ . 1 . 2 ]" 2
13 1 5 ASP QB 1 6 GLN H 3.140 . 4.321 3.554 3.411 3.864 . 0 0 "[ . 1 . 2 ]" 2
14 1 6 GLN H 1 6 GLN QB 2.862 . 3.917 2.447 2.364 2.644 . 0 0 "[ . 1 . 2 ]" 2
15 1 6 GLN QG 1 7 GLN H 3.023 2.217 3.829 2.299 2.041 2.478 0.176 21 0 "[ . 1 . 2 ]" 2
16 1 7 GLN H 1 8 ALA H 2.649 . 3.394 2.515 2.241 2.646 . 0 0 "[ . 1 . 2 ]" 2
17 1 7 GLN H 1 7 GLN HA 2.975 2.191 3.759 2.847 2.789 2.920 . 0 0 "[ . 1 . 2 ]" 2
18 1 7 GLN H 1 7 GLN QG 3.132 2.274 3.990 2.055 1.946 2.917 0.328 16 0 "[ . 1 . 2 ]" 2
19 1 5 ASP HA 1 8 ALA H 3.503 2.606 4.400 3.345 2.954 3.541 . 0 0 "[ . 1 . 2 ]" 2
20 1 8 ALA H 1 8 ALA HA 2.949 2.269 3.629 2.881 2.838 2.906 . 0 0 "[ . 1 . 2 ]" 2
21 1 5 ASP QB 1 8 ALA H 3.381 2.540 4.222 3.754 3.656 3.903 . 0 0 "[ . 1 . 2 ]" 2
22 1 7 GLN QB 1 8 ALA H 3.153 2.311 3.995 3.153 2.835 3.490 . 0 0 "[ . 1 . 2 ]" 2
23 1 8 ALA H 1 9 GLU H 2.801 . 3.802 2.500 2.391 2.673 . 0 0 "[ . 1 . 2 ]" 2
24 1 8 ALA H 1 8 ALA MB 2.968 2.282 3.654 2.150 2.034 2.289 0.248 5 0 "[ . 1 . 2 ]" 2
25 1 9 GLU H 1 10 ALA H 2.752 . 3.705 2.691 2.641 2.748 . 0 0 "[ . 1 . 2 ]" 2
26 1 7 GLN H 1 9 GLU H 3.376 2.074 4.678 4.401 4.199 4.532 . 0 0 "[ . 1 . 2 ]" 2
27 1 9 GLU H 1 9 GLU QG 3.171 . 4.399 2.000 1.944 2.139 . 0 0 "[ . 1 . 2 ]" 2
28 1 9 GLU H 1 9 GLU QB 2.633 . 3.466 2.617 2.534 2.675 . 0 0 "[ . 1 . 2 ]" 2
29 1 8 ALA MB 1 9 GLU H 3.081 . 4.234 2.460 2.372 2.555 . 0 0 "[ . 1 . 2 ]" 2
30 1 9 GLU H 1 10 ALA MB 3.754 2.508 5.000 4.179 4.166 4.309 . 0 0 "[ . 1 . 2 ]" 2
31 1 7 GLN HA 1 10 ALA H 3.172 . 4.369 3.817 3.648 4.017 . 0 0 "[ . 1 . 2 ]" 2
32 1 9 GLU QB 1 10 ALA H 3.028 . 4.157 2.583 2.479 2.836 . 0 0 "[ . 1 . 2 ]" 2
33 1 10 ALA H 1 10 ALA MB 2.838 . 3.876 2.087 1.997 2.215 . 0 0 "[ . 1 . 2 ]" 2
34 1 11 ARG H 1 12 ALA H 2.799 2.192 3.406 2.731 2.670 2.755 . 0 0 "[ . 1 . 2 ]" 2
35 1 11 ARG H 1 11 ARG HA 2.941 2.296 3.586 2.768 2.758 2.795 . 0 0 "[ . 1 . 2 ]" 2
36 1 11 ARG H 1 11 ARG QD 4.003 3.006 5.000 4.118 3.598 4.320 . 0 0 "[ . 1 . 2 ]" 2
37 1 10 ALA MB 1 11 ARG H 3.329 2.564 4.094 2.354 2.164 2.444 0.400 11 0 "[ . 1 . 2 ]" 2
38 1 12 ALA H 1 14 LEU H 3.835 2.887 4.783 3.980 3.898 4.100 . 0 0 "[ . 1 . 2 ]" 2
39 1 12 ALA H 1 12 ALA HA 2.939 2.303 3.575 2.918 2.897 2.926 . 0 0 "[ . 1 . 2 ]" 2
40 1 11 ARG HA 1 12 ALA H 3.555 2.725 4.385 3.466 3.453 3.486 . 0 0 "[ . 1 . 2 ]" 2
41 1 12 ALA H 1 12 ALA MB 2.983 2.335 3.631 2.302 2.243 2.325 0.092 1 0 "[ . 1 . 2 ]" 2
42 1 10 ALA MB 1 12 ALA H 4.176 3.352 5.000 4.123 4.075 4.262 . 0 0 "[ . 1 . 2 ]" 2
43 1 12 ALA MB 1 13 PHE H 3.620 2.733 4.507 2.967 2.792 3.045 . 0 0 "[ . 1 . 2 ]" 2
44 1 13 PHE H 1 14 LEU H 2.662 2.087 3.237 2.514 2.426 2.600 . 0 0 "[ . 1 . 2 ]" 2
45 1 13 PHE H 1 13 PHE HA 2.942 2.293 3.591 2.853 2.830 2.877 . 0 0 "[ . 1 . 2 ]" 2
46 1 12 ALA HA 1 13 PHE H 3.400 2.602 4.198 3.444 3.420 3.490 . 0 0 "[ . 1 . 2 ]" 2
47 1 13 PHE H 1 13 PHE QB 2.625 2.055 3.195 2.134 2.059 2.275 . 0 0 "[ . 1 . 2 ]" 2
48 1 10 ALA MB 1 13 PHE H 4.066 3.131 5.001 4.210 4.194 4.387 . 0 0 "[ . 1 . 2 ]" 2
49 1 14 LEU H 1 14 LEU HA 2.947 2.274 3.620 2.941 2.908 2.947 . 0 0 "[ . 1 . 2 ]" 2
50 1 13 PHE HA 1 14 LEU H 3.539 2.638 4.440 3.452 3.361 3.527 . 0 0 "[ . 1 . 2 ]" 2
51 1 11 ARG HA 1 14 LEU H 3.481 2.607 4.355 4.009 3.783 4.226 . 0 0 "[ . 1 . 2 ]" 2
52 1 13 PHE QB 1 14 LEU H 2.985 2.300 3.670 3.002 2.761 3.276 . 0 0 "[ . 1 . 2 ]" 2
53 1 14 LEU H 1 14 LEU HG 2.524 . 3.078 2.539 2.322 2.924 . 0 0 "[ . 1 . 2 ]" 2
54 1 14 LEU H 1 14 LEU QB 2.837 2.027 3.647 2.683 2.514 2.825 . 0 0 "[ . 1 . 2 ]" 2
55 1 14 LEU H 1 14 LEU QD 3.935 2.870 5.000 3.048 2.259 3.364 0.611 2 1 "[ + . 1 . 2 ]" 2
56 1 15 SER H 1 15 SER HA 2.948 2.274 3.622 2.889 2.851 2.918 . 0 0 "[ . 1 . 2 ]" 2
57 1 15 SER H 1 15 SER QB 2.847 2.204 3.490 2.433 2.098 2.847 0.106 1 0 "[ . 1 . 2 ]" 2
58 1 15 SER H 1 18 MET QB 3.078 2.361 3.795 2.854 2.736 3.017 . 0 0 "[ . 1 . 2 ]" 2
59 1 14 LEU QD 1 15 SER H 3.961 2.922 5.000 3.605 3.406 3.716 . 0 0 "[ . 1 . 2 ]" 2
60 1 14 LEU QB 1 15 SER H 3.159 2.414 3.904 2.408 2.234 2.668 0.180 15 0 "[ . 1 . 2 ]" 2
61 1 16 GLU H 1 17 GLU H 3.275 2.371 4.179 2.723 2.679 2.737 . 0 0 "[ . 1 . 2 ]" 2
62 1 15 SER HA 1 16 GLU H 2.651 2.079 3.223 2.387 2.322 2.418 . 0 0 "[ . 1 . 2 ]" 2
63 1 15 SER QB 1 16 GLU H 2.998 2.333 3.663 2.891 2.583 3.080 . 0 0 "[ . 1 . 2 ]" 2
64 1 16 GLU H 1 16 GLU QG 3.470 2.646 4.294 3.201 2.475 3.814 0.171 16 0 "[ . 1 . 2 ]" 2
65 1 16 GLU H 1 16 GLU QB 2.909 2.269 3.549 2.177 2.059 2.497 0.210 12 0 "[ . 1 . 2 ]" 2
66 1 16 GLU H 1 16 GLU HA 2.942 2.293 3.591 2.761 2.756 2.791 . 0 0 "[ . 1 . 2 ]" 2
67 1 17 GLU H 1 18 MET H 2.707 . 3.614 2.805 2.687 2.894 . 0 0 "[ . 1 . 2 ]" 2
68 1 15 SER HA 1 17 GLU H 3.667 2.814 4.520 4.026 3.949 4.178 . 0 0 "[ . 1 . 2 ]" 2
69 1 15 SER QB 1 17 GLU H 3.287 2.562 4.012 2.284 2.280 2.311 0.282 6 0 "[ . 1 . 2 ]" 2
70 1 17 GLU H 1 17 GLU HA 2.938 2.310 3.566 2.801 2.793 2.811 . 0 0 "[ . 1 . 2 ]" 2
71 1 16 GLU HA 1 17 GLU H 3.392 2.635 4.149 3.462 3.458 3.486 . 0 0 "[ . 1 . 2 ]" 2
72 1 17 GLU H 1 17 GLU QB 3.020 2.371 3.669 2.112 2.043 2.196 0.328 1 0 "[ . 1 . 2 ]" 2
73 1 18 MET H 1 19 ILE H 2.673 . 3.546 2.676 2.505 2.766 . 0 0 "[ . 1 . 2 ]" 2
74 1 18 MET H 1 18 MET QG 3.311 . 4.655 3.988 3.950 4.032 . 0 0 "[ . 1 . 2 ]" 2
75 1 17 GLU QG 1 18 MET H 3.562 2.156 4.968 4.231 3.256 4.457 . 0 0 "[ . 1 . 2 ]" 2
76 1 18 MET H 1 18 MET QB 2.684 . 3.568 2.083 2.050 2.152 . 0 0 "[ . 1 . 2 ]" 2
77 1 18 MET H 1 19 ILE QG 3.568 2.158 4.978 4.379 3.949 4.449 . 0 0 "[ . 1 . 2 ]" 2
78 1 19 ILE H 1 20 ALA H 2.873 2.036 3.710 2.698 2.646 2.809 . 0 0 "[ . 1 . 2 ]" 2
79 1 19 ILE H 1 19 ILE HA 2.957 2.245 3.669 2.876 2.782 2.903 . 0 0 "[ . 1 . 2 ]" 2
80 1 19 ILE H 1 19 ILE QG 2.889 . 3.870 2.554 1.973 2.675 . 0 0 "[ . 1 . 2 ]" 2
81 1 16 GLU HA 1 19 ILE H 3.175 2.378 3.972 3.391 3.189 3.538 . 0 0 "[ . 1 . 2 ]" 2
82 1 18 MET QB 1 19 ILE H 3.149 2.363 3.935 3.002 2.540 3.134 . 0 0 "[ . 1 . 2 ]" 2
83 1 19 ILE H 1 19 ILE HB 2.421 . 2.970 2.359 2.312 2.619 . 0 0 "[ . 1 . 2 ]" 2
84 1 19 ILE H 1 19 ILE MD 3.870 2.740 5.000 3.772 3.609 3.845 . 0 0 "[ . 1 . 2 ]" 2
85 1 20 ALA H 1 20 ALA HA 2.939 2.305 3.573 2.747 2.730 2.766 . 0 0 "[ . 1 . 2 ]" 2
86 1 19 ILE HA 1 20 ALA H 3.800 2.875 4.725 3.566 3.555 3.574 . 0 0 "[ . 1 . 2 ]" 2
87 1 19 ILE HB 1 20 ALA H 2.849 2.239 3.459 2.255 2.219 2.484 0.020 5 0 "[ . 1 . 2 ]" 2
88 1 19 ILE MG 1 20 ALA H 4.056 3.112 5.000 2.698 2.600 3.409 0.512 19 2 "[ . 1- . +2 ]" 2
89 1 21 GLU H 1 22 PHE H 2.708 . 3.616 2.260 2.195 2.579 . 0 0 "[ . 1 . 2 ]" 2
90 1 21 GLU H 1 24 ALA H 3.435 2.101 4.769 4.837 4.778 5.306 0.537 1 1 "[+ . 1 . 2 ]" 2
91 1 21 GLU H 1 21 GLU QG 3.042 . 4.248 2.330 1.987 2.658 . 0 0 "[ . 1 . 2 ]" 2
92 1 21 GLU H 1 21 GLU QB 2.735 . 3.670 2.494 2.351 2.674 . 0 0 "[ . 1 . 2 ]" 2
93 1 20 ALA MB 1 21 GLU H 3.114 . 4.283 2.842 2.335 2.922 . 0 0 "[ . 1 . 2 ]" 2
94 1 22 PHE H 1 23 LYS H 2.853 2.119 3.587 2.617 2.575 2.720 . 0 0 "[ . 1 . 2 ]" 2
95 1 22 PHE H 1 22 PHE HA 2.952 2.258 3.646 2.807 2.777 2.821 . 0 0 "[ . 1 . 2 ]" 2
96 1 21 GLU HA 1 22 PHE H 3.224 2.429 4.019 3.490 3.462 3.504 . 0 0 "[ . 1 . 2 ]" 2
97 1 22 PHE H 1 22 PHE QB 2.943 2.252 3.634 2.074 2.030 2.402 0.222 1 0 "[ . 1 . 2 ]" 2
98 1 21 GLU QB 1 22 PHE H 3.062 2.330 3.794 2.769 2.713 2.884 . 0 0 "[ . 1 . 2 ]" 2
99 1 23 LYS H 1 24 ALA H 2.832 . 3.864 2.486 2.450 2.578 . 0 0 "[ . 1 . 2 ]" 2
100 1 20 ALA HA 1 23 LYS H 3.070 2.311 3.829 3.781 3.682 3.879 0.050 1 0 "[ . 1 . 2 ]" 2
101 1 23 LYS H 1 23 LYS HA 2.958 2.242 3.674 2.862 2.832 2.886 . 0 0 "[ . 1 . 2 ]" 2
102 1 22 PHE QB 1 23 LYS H 3.311 2.447 4.175 2.920 2.417 3.251 0.030 20 0 "[ . 1 . 2 ]" 2
103 1 23 LYS H 1 23 LYS QB 2.565 . 3.175 2.237 2.045 2.277 . 0 0 "[ . 1 . 2 ]" 2
104 1 23 LYS QB 1 24 ALA H 3.243 . 4.651 3.161 3.032 3.442 . 0 0 "[ . 1 . 2 ]" 2
105 1 24 ALA H 1 24 ALA MB 2.768 . 3.736 2.223 2.143 2.246 . 0 0 "[ . 1 . 2 ]" 2
106 1 23 LYS QG 1 24 ALA H 3.633 2.266 5.000 4.419 4.296 4.545 . 0 0 "[ . 1 . 2 ]" 2
107 1 24 ALA MB 1 25 ALA H 3.606 2.212 5.000 1.925 1.869 1.987 0.343 20 0 "[ . 1 . 2 ]" 2
108 1 25 ALA H 1 26 PHE H 3.171 . 4.392 2.646 2.560 2.695 . 0 0 "[ . 1 . 2 ]" 2
109 1 25 ALA H 1 25 ALA MB 3.389 2.081 4.697 2.230 2.167 2.265 . 0 0 "[ . 1 . 2 ]" 2
110 1 26 PHE H 1 27 ASP H 3.338 . 4.732 2.831 2.731 3.077 . 0 0 "[ . 1 . 2 ]" 2
111 1 25 ALA MB 1 26 PHE H 3.596 2.192 5.000 3.271 3.173 3.312 . 0 0 "[ . 1 . 2 ]" 2
112 1 27 ASP H 1 28 MET H 2.933 . 4.066 2.635 2.416 2.826 . 0 0 "[ . 1 . 2 ]" 2
113 1 27 ASP HA 1 28 MET H 3.079 . 4.358 3.569 3.548 3.574 . 0 0 "[ . 1 . 2 ]" 2
114 1 28 MET H 1 28 MET QG 3.243 . 4.686 2.943 1.986 4.018 . 0 0 "[ . 1 . 2 ]" 2
115 1 29 PHE H 1 30 ASP H 2.759 . 3.521 3.093 2.946 3.184 . 0 0 "[ . 1 . 2 ]" 2
116 1 28 MET H 1 29 PHE H 2.705 2.086 3.324 2.669 2.540 2.738 . 0 0 "[ . 1 . 2 ]" 2
117 1 29 PHE H 1 29 PHE HA 2.953 2.256 3.650 2.785 2.776 2.800 . 0 0 "[ . 1 . 2 ]" 2
118 1 29 PHE H 1 29 PHE QB 2.845 2.184 3.506 2.133 2.063 2.264 0.121 1 0 "[ . 1 . 2 ]" 2
119 1 28 MET QB 1 29 PHE H 3.404 2.524 4.284 2.893 2.726 2.984 . 0 0 "[ . 1 . 2 ]" 2
120 1 30 ASP H 1 30 ASP HA 2.952 2.258 3.646 2.780 2.746 2.834 . 0 0 "[ . 1 . 2 ]" 2
121 1 30 ASP H 1 30 ASP QB 2.699 2.084 3.314 2.316 2.058 2.428 0.026 15 0 "[ . 1 . 2 ]" 2
122 1 30 ASP H 1 37 ILE QG 3.386 2.519 4.253 3.695 3.367 3.896 . 0 0 "[ . 1 . 2 ]" 2
123 1 30 ASP H 1 31 ALA H 3.455 2.451 4.459 4.383 2.647 4.474 0.015 16 0 "[ . 1 . 2 ]" 2
124 1 30 ASP HA 1 31 ALA H 2.634 2.063 3.205 2.183 2.115 3.367 0.162 15 0 "[ . 1 . 2 ]" 2
125 1 30 ASP QB 1 31 ALA H 3.065 2.374 3.756 3.345 3.100 3.400 . 0 0 "[ . 1 . 2 ]" 2
126 1 31 ALA H 1 31 ALA MB 3.033 2.352 3.714 2.327 2.131 2.921 0.221 1 0 "[ . 1 . 2 ]" 2
127 1 31 ALA H 1 32 ASP H 3.224 2.298 4.150 2.452 2.293 3.814 0.005 19 0 "[ . 1 . 2 ]" 2
128 1 31 ALA H 1 31 ALA HA 2.943 2.289 3.597 2.881 2.280 2.924 0.009 15 0 "[ . 1 . 2 ]" 2
129 1 32 ASP H 1 32 ASP QB 3.181 2.325 4.037 2.693 2.531 2.802 . 0 0 "[ . 1 . 2 ]" 2
130 1 30 ASP QB 1 32 ASP H 3.632 2.728 4.536 4.025 3.684 4.105 . 0 0 "[ . 1 . 2 ]" 2
131 1 32 ASP H 1 33 GLY H 2.590 2.030 3.150 2.338 2.115 2.638 . 0 0 "[ . 1 . 2 ]" 2
132 1 32 ASP H 1 32 ASP HA 2.943 2.289 3.597 2.887 2.810 2.929 . 0 0 "[ . 1 . 2 ]" 2
133 1 30 ASP HA 1 32 ASP H 3.443 2.620 4.266 4.055 3.957 4.282 0.016 15 0 "[ . 1 . 2 ]" 2
134 1 31 ALA HA 1 32 ASP H 3.282 2.519 4.045 3.556 3.548 3.566 . 0 0 "[ . 1 . 2 ]" 2
135 1 31 ALA MB 1 32 ASP H 3.254 2.501 4.007 2.354 2.226 2.462 0.275 15 0 "[ . 1 . 2 ]" 2
136 1 32 ASP HA 1 33 GLY H 3.201 . 4.412 3.466 3.426 3.492 . 0 0 "[ . 1 . 2 ]" 2
137 1 31 ALA HA 1 33 GLY H 3.462 2.113 4.811 4.413 3.839 4.820 0.009 15 0 "[ . 1 . 2 ]" 2
138 1 30 ASP QB 1 33 GLY H 3.582 2.164 5.000 2.574 2.290 2.859 . 0 0 "[ . 1 . 2 ]" 2
139 1 34 GLY H 1 35 GLY H 2.836 . 3.872 2.158 1.986 3.013 . 0 0 "[ . 1 . 2 ]" 2
140 1 33 GLY H 1 34 GLY H 2.733 . 3.666 2.846 2.393 3.521 . 0 0 "[ . 1 . 2 ]" 2
141 1 33 GLY QA 1 34 GLY H 3.268 2.023 4.513 2.553 2.163 2.789 . 0 0 "[ . 1 . 2 ]" 2
142 1 34 GLY QA 1 35 GLY H 3.495 2.127 4.863 2.729 2.523 2.839 . 0 0 "[ . 1 . 2 ]" 2
143 1 35 GLY H 1 36 ASP H 2.658 . 3.516 2.813 1.963 3.520 0.004 8 0 "[ . 1 . 2 ]" 2
144 1 33 GLY QA 1 35 GLY H 3.681 2.362 5.000 4.101 3.738 4.456 . 0 0 "[ . 1 . 2 ]" 2
145 1 36 ASP H 1 36 ASP HA 2.949 2.271 3.627 2.604 2.273 2.942 . 0 0 "[ . 1 . 2 ]" 2
146 1 35 GLY QA 1 36 ASP H 3.172 2.370 3.974 2.466 2.121 2.871 0.249 17 0 "[ . 1 . 2 ]" 2
147 1 36 ASP H 1 36 ASP QB 3.438 2.575 4.301 2.972 2.525 3.360 0.050 15 0 "[ . 1 . 2 ]" 2
148 1 37 ILE H 1 73 ILE H 2.757 2.001 3.513 2.395 2.117 2.652 . 0 0 "[ . 1 . 2 ]" 2
149 1 36 ASP HA 1 37 ILE H 2.500 . 3.081 2.647 2.590 2.795 . 0 0 "[ . 1 . 2 ]" 2
150 1 37 ILE H 1 37 ILE HA 2.962 2.230 3.694 2.919 2.886 2.946 . 0 0 "[ . 1 . 2 ]" 2
151 1 37 ILE H 1 72 THR HB 3.233 2.385 4.081 3.948 3.415 4.095 0.014 19 0 "[ . 1 . 2 ]" 2
152 1 36 ASP QB 1 37 ILE H 2.807 2.131 3.483 1.935 1.887 1.997 0.244 19 0 "[ . 1 . 2 ]" 2
153 1 37 ILE H 1 73 ILE HB 3.245 2.391 4.099 2.634 2.383 2.846 0.008 8 0 "[ . 1 . 2 ]" 2
154 1 37 ILE H 1 37 ILE HB 2.644 2.021 3.267 2.463 2.407 2.574 . 0 0 "[ . 1 . 2 ]" 2
155 1 37 ILE H 1 37 ILE QG 2.925 2.207 3.643 2.581 2.279 3.032 . 0 0 "[ . 1 . 2 ]" 2
156 1 37 ILE HA 1 38 SER H 2.252 . 2.704 2.144 2.135 2.161 . 0 0 "[ . 1 . 2 ]" 2
157 1 38 SER H 1 38 SER HA 2.967 2.215 3.719 2.931 2.877 2.947 . 0 0 "[ . 1 . 2 ]" 2
158 1 38 SER H 1 41 GLU QB 2.780 2.098 3.462 1.942 1.921 1.990 0.177 14 0 "[ . 1 . 2 ]" 2
159 1 37 ILE MG 1 38 SER H 3.433 2.451 4.415 2.678 2.353 2.973 0.098 6 0 "[ . 1 . 2 ]" 2
160 1 38 SER H 1 38 SER QB 2.909 2.164 3.654 2.519 2.218 2.880 . 0 0 "[ . 1 . 2 ]" 2
161 1 39 THR H 1 40 LYS H 3.339 2.057 4.621 2.605 2.484 2.846 . 0 0 "[ . 1 . 2 ]" 2
162 1 39 THR H 1 39 THR HB 2.899 2.197 3.601 3.547 3.424 3.595 . 0 0 "[ . 1 . 2 ]" 2
163 1 38 SER QB 1 39 THR H 3.055 2.129 3.981 2.312 1.989 2.711 0.140 18 0 "[ . 1 . 2 ]" 2
164 1 39 THR H 1 39 THR HA 2.960 2.235 3.685 2.838 2.821 2.863 . 0 0 "[ . 1 . 2 ]" 2
165 1 38 SER HA 1 39 THR H 2.725 2.081 3.369 2.798 2.765 2.819 . 0 0 "[ . 1 . 2 ]" 2
166 1 39 THR H 1 39 THR MG 3.838 2.676 5.000 2.547 2.228 3.065 0.448 20 0 "[ . 1 . 2 ]" 2
167 1 38 SER QB 1 40 LYS H 3.493 2.127 4.859 2.837 2.257 3.788 . 0 0 "[ . 1 . 2 ]" 2
168 1 40 LYS H 1 40 LYS QB 3.067 . 4.296 2.279 2.067 2.699 . 0 0 "[ . 1 . 2 ]" 2
169 1 41 GLU H 1 42 LEU H 2.867 . 3.924 2.650 2.485 2.743 . 0 0 "[ . 1 . 2 ]" 2
170 1 41 GLU H 1 41 GLU QB 2.850 . 3.900 2.334 2.052 2.486 . 0 0 "[ . 1 . 2 ]" 2
171 1 40 LYS QB 1 41 GLU H 3.270 . 4.546 2.859 2.357 3.511 . 0 0 "[ . 1 . 2 ]" 2
172 1 42 LEU H 1 42 LEU HA 2.953 2.255 3.651 2.874 2.838 2.889 . 0 0 "[ . 1 . 2 ]" 2
173 1 41 GLU QB 1 42 LEU H 3.501 2.571 4.431 2.952 2.766 3.105 . 0 0 "[ . 1 . 2 ]" 2
174 1 42 LEU H 1 42 LEU QB 2.700 2.057 3.343 2.098 2.045 2.135 0.012 1 0 "[ . 1 . 2 ]" 2
175 1 37 ILE MG 1 42 LEU H 3.580 2.608 4.552 3.290 2.771 3.494 . 0 0 "[ . 1 . 2 ]" 2
176 1 41 GLU QG 1 42 LEU H 3.888 2.776 5.000 4.311 4.177 4.467 . 0 0 "[ . 1 . 2 ]" 2
177 1 43 GLY H 1 58 LEU QD 3.664 2.328 5.000 2.262 2.026 2.475 0.302 1 0 "[ . 1 . 2 ]" 2
178 1 43 GLY H 1 44 THR H 3.194 . 4.401 2.817 2.687 2.881 . 0 0 "[ . 1 . 2 ]" 2
179 1 42 LEU QB 1 43 GLY H 3.198 . 4.408 2.361 2.197 2.627 . 0 0 "[ . 1 . 2 ]" 2
180 1 44 THR H 1 44 THR HB 2.549 . 3.120 2.217 2.163 2.431 . 0 0 "[ . 1 . 2 ]" 2
181 1 44 THR H 1 44 THR HA 2.952 2.261 3.643 2.798 2.771 2.871 . 0 0 "[ . 1 . 2 ]" 2
182 1 44 THR H 1 45 VAL H 2.745 2.005 3.485 3.150 2.915 3.214 . 0 0 "[ . 1 . 2 ]" 2
183 1 43 GLY QA 1 44 THR H 3.019 2.305 3.733 2.830 2.794 2.917 . 0 0 "[ . 1 . 2 ]" 2
184 1 45 VAL H 1 45 VAL HA 2.981 2.175 3.787 2.791 2.765 2.814 . 0 0 "[ . 1 . 2 ]" 2
185 1 45 VAL H 1 45 VAL HB 2.514 . 3.139 2.565 2.537 2.630 . 0 0 "[ . 1 . 2 ]" 2
186 1 45 VAL H 1 45 VAL QG 3.034 2.202 3.866 2.070 1.932 2.253 0.270 15 0 "[ . 1 . 2 ]" 2
187 1 44 THR HB 1 45 VAL H 2.650 . 3.322 2.237 1.982 2.323 . 0 0 "[ . 1 . 2 ]" 2
188 1 46 MET H 1 46 MET QG 2.951 . 4.053 2.842 2.635 3.013 . 0 0 "[ . 1 . 2 ]" 2
189 1 45 VAL QG 1 46 MET H 3.713 2.426 5.000 2.039 1.890 2.189 0.536 14 4 "[ * * 1 +. - ]" 2
190 1 47 ARG H 1 48 MET H 2.838 . 3.876 2.359 2.283 2.480 . 0 0 "[ . 1 . 2 ]" 2
191 1 48 MET H 1 49 LEU H 2.838 2.171 3.505 2.571 2.335 2.952 . 0 0 "[ . 1 . 2 ]" 2
192 1 48 MET H 1 48 MET HA 2.943 2.290 3.596 2.912 2.881 2.926 . 0 0 "[ . 1 . 2 ]" 2
193 1 48 MET H 1 48 MET QG 3.199 2.408 3.990 2.204 2.138 2.250 0.270 14 0 "[ . 1 . 2 ]" 2
194 1 48 MET H 1 48 MET QB 2.870 2.158 3.582 2.701 2.670 2.755 . 0 0 "[ . 1 . 2 ]" 2
195 1 48 MET H 1 48 MET ME 4.088 3.176 5.000 4.164 4.072 4.180 . 0 0 "[ . 1 . 2 ]" 2
196 1 47 ARG QB 1 48 MET H 3.079 2.385 3.773 2.862 2.615 2.942 . 0 0 "[ . 1 . 2 ]" 2
197 1 48 MET H 1 50 GLY H 3.466 2.635 4.297 4.313 4.300 4.497 0.200 1 0 "[ . 1 . 2 ]" 2
198 1 45 VAL HA 1 48 MET H 3.499 2.655 4.343 3.403 3.261 3.476 . 0 0 "[ . 1 . 2 ]" 2
199 1 49 LEU H 1 50 GLY H 2.703 . 3.606 2.037 1.967 2.469 . 0 0 "[ . 1 . 2 ]" 2
200 1 49 LEU H 1 49 LEU HA 2.952 2.259 3.645 2.940 2.888 2.947 . 0 0 "[ . 1 . 2 ]" 2
201 1 48 MET HA 1 49 LEU H 3.443 2.551 4.335 3.180 2.857 3.434 . 0 0 "[ . 1 . 2 ]" 2
202 1 50 GLY H 1 51 GLN H 2.666 . 3.532 2.180 1.971 2.457 . 0 0 "[ . 1 . 2 ]" 2
203 1 49 LEU HA 1 50 GLY H 3.205 . 4.418 3.538 3.473 3.565 . 0 0 "[ . 1 . 2 ]" 2
204 1 50 GLY H 1 50 GLY QA 2.565 . 3.330 2.487 2.446 2.501 . 0 0 "[ . 1 . 2 ]" 2
205 1 49 LEU QB 1 50 GLY H 3.492 2.126 4.858 2.625 2.446 2.932 . 0 0 "[ . 1 . 2 ]" 2
206 1 51 GLN H 1 51 GLN HA 2.950 2.265 3.635 2.833 2.804 2.836 . 0 0 "[ . 1 . 2 ]" 2
207 1 51 GLN H 1 51 GLN QB 2.755 2.130 3.380 2.130 2.039 2.584 0.091 3 0 "[ . 1 . 2 ]" 2
208 1 51 GLN HA 1 52 ASN H 3.014 . 4.228 2.384 2.343 2.475 . 0 0 "[ . 1 . 2 ]" 2
209 1 52 ASN H 1 52 ASN QB 3.400 . 5.000 2.791 2.634 3.205 . 0 0 "[ . 1 . 2 ]" 2
210 1 53 PRO HA 1 54 THR H 3.005 . 4.210 2.189 2.160 2.199 . 0 0 "[ . 1 . 2 ]" 2
211 1 54 THR H 1 57 GLU QB 3.400 . 5.000 2.452 2.140 2.977 . 0 0 "[ . 1 . 2 ]" 2
212 1 54 THR H 1 54 THR MG 3.438 . 5.000 2.739 2.008 3.680 . 0 0 "[ . 1 . 2 ]" 2
213 1 55 LYS H 1 55 LYS QB 2.971 . 4.074 2.168 2.042 2.247 . 0 0 "[ . 1 . 2 ]" 2
214 1 56 CYS H 1 56 CYS HA 2.971 2.202 3.740 2.826 2.783 2.899 . 0 0 "[ . 1 . 2 ]" 2
215 1 56 CYS H 1 57 GLU H 2.987 2.193 3.781 2.579 2.319 2.714 . 0 0 "[ . 1 . 2 ]" 2
216 1 56 CYS H 1 56 CYS QB 2.825 2.038 3.612 2.250 2.043 2.717 . 0 0 "[ . 1 . 2 ]" 2
217 1 55 LYS QB 1 56 CYS H 2.960 2.196 3.724 2.494 2.236 2.948 . 0 0 "[ . 1 . 2 ]" 2
218 1 57 GLU H 1 58 LEU H 2.741 2.018 3.464 2.876 2.666 2.965 . 0 0 "[ . 1 . 2 ]" 2
219 1 57 GLU H 1 57 GLU HA 2.969 2.207 3.731 2.800 2.784 2.852 . 0 0 "[ . 1 . 2 ]" 2
220 1 57 GLU H 1 57 GLU QB 2.637 . 3.277 2.214 2.034 2.525 . 0 0 "[ . 1 . 2 ]" 2
221 1 57 GLU H 1 57 GLU QG 3.158 2.311 4.005 3.025 2.058 3.583 0.253 13 0 "[ . 1 . 2 ]" 2
222 1 58 LEU H 1 58 LEU HA 2.965 2.217 3.713 2.831 2.795 2.874 . 0 0 "[ . 1 . 2 ]" 2
223 1 57 GLU QB 1 58 LEU H 3.020 2.250 3.790 2.231 1.998 2.447 0.252 20 0 "[ . 1 . 2 ]" 2
224 1 59 ASP H 1 59 ASP QB 3.154 . 4.478 2.182 2.077 2.273 . 0 0 "[ . 1 . 2 ]" 2
225 1 58 LEU QB 1 59 ASP H 3.298 . 4.637 2.791 2.554 3.150 . 0 0 "[ . 1 . 2 ]" 2
226 1 58 LEU H 1 59 ASP H 3.035 . 4.167 2.570 2.422 2.705 . 0 0 "[ . 1 . 2 ]" 2
227 1 59 ASP H 1 60 ALA H 3.113 . 4.319 2.547 2.330 2.666 . 0 0 "[ . 1 . 2 ]" 2
228 1 60 ALA H 1 61 ILE H 3.031 . 4.161 2.430 2.344 2.638 . 0 0 "[ . 1 . 2 ]" 2
229 1 59 ASP QB 1 60 ALA H 3.417 2.023 4.811 2.936 2.843 3.050 . 0 0 "[ . 1 . 2 ]" 2
230 1 60 ALA H 1 60 ALA MB 3.265 2.022 4.508 2.143 2.070 2.259 . 0 0 "[ . 1 . 2 ]" 2
231 1 61 ILE H 1 61 ILE HA 2.972 2.200 3.744 2.879 2.844 2.897 . 0 0 "[ . 1 . 2 ]" 2
232 1 62 ILE H 1 63 CYS H 3.015 2.088 3.942 2.924 2.852 2.996 . 0 0 "[ . 1 . 2 ]" 2
233 1 62 ILE H 1 62 ILE QG 2.630 . 3.278 2.041 1.927 2.101 0.055 1 0 "[ . 1 . 2 ]" 2
234 1 62 ILE H 1 62 ILE HA 2.974 2.195 3.753 2.727 2.717 2.748 . 0 0 "[ . 1 . 2 ]" 2
235 1 63 CYS H 1 63 CYS HA 2.989 2.151 3.827 2.792 2.747 2.856 . 0 0 "[ . 1 . 2 ]" 2
236 1 63 CYS H 1 63 CYS QB 2.648 . 3.338 2.170 2.049 2.272 . 0 0 "[ . 1 . 2 ]" 2
237 1 64 GLU H 1 64 GLU QB 2.828 2.054 3.602 2.211 2.108 2.528 . 0 0 "[ . 1 . 2 ]" 2
238 1 63 CYS H 1 64 GLU H 3.079 2.302 3.856 2.698 2.521 2.779 . 0 0 "[ . 1 . 2 ]" 2
239 1 64 GLU H 1 65 VAL H 3.056 2.134 3.978 2.348 2.130 2.532 0.004 13 0 "[ . 1 . 2 ]" 2
240 1 64 GLU H 1 64 GLU HA 2.961 2.231 3.691 2.885 2.844 2.927 . 0 0 "[ . 1 . 2 ]" 2
241 1 65 VAL H 1 66 ASP H 2.543 . 3.163 2.695 2.528 2.867 . 0 0 "[ . 1 . 2 ]" 2
242 1 65 VAL H 1 65 VAL HA 2.974 2.195 3.753 2.827 2.815 2.843 . 0 0 "[ . 1 . 2 ]" 2
243 1 65 VAL H 1 65 VAL QG 3.158 2.292 4.024 2.153 1.856 2.330 0.436 16 0 "[ . 1 . 2 ]" 2
244 1 66 ASP H 1 66 ASP QB 3.328 2.052 4.604 2.271 2.216 2.377 . 0 0 "[ . 1 . 2 ]" 2
245 1 67 GLU H 1 68 ASP H 2.826 2.176 3.476 2.557 2.246 2.848 . 0 0 "[ . 1 . 2 ]" 2
246 1 67 GLU H 1 67 GLU HA 2.952 2.262 3.642 2.833 2.276 2.947 . 0 0 "[ . 1 . 2 ]" 2
247 1 67 GLU H 1 67 GLU QG 3.012 2.301 3.723 2.936 2.056 3.318 0.245 7 0 "[ . 1 . 2 ]" 2
248 1 67 GLU H 1 67 GLU QB 2.837 2.184 3.490 2.401 2.058 3.032 0.126 8 0 "[ . 1 . 2 ]" 2
249 1 68 ASP H 1 69 GLY H 2.666 . 3.532 2.247 1.965 2.644 . 0 0 "[ . 1 . 2 ]" 2
250 1 67 GLU HA 1 68 ASP H 3.090 . 4.380 3.248 2.913 3.488 . 0 0 "[ . 1 . 2 ]" 2
251 1 68 ASP H 1 68 ASP QB 2.947 . 4.094 2.894 2.575 3.258 . 0 0 "[ . 1 . 2 ]" 2
252 1 69 GLY H 1 70 SER H 2.777 . 3.754 2.669 2.046 3.063 . 0 0 "[ . 1 . 2 ]" 2
253 1 69 GLY H 1 69 GLY QA 2.599 . 3.398 2.241 2.189 2.359 . 0 0 "[ . 1 . 2 ]" 2
254 1 70 SER H 1 71 GLY H 2.981 . 4.162 1.989 1.925 2.234 . 0 0 "[ . 1 . 2 ]" 2
255 1 68 ASP H 1 70 SER H 3.542 2.147 4.937 3.898 3.167 4.512 . 0 0 "[ . 1 . 2 ]" 2
256 1 70 SER H 1 70 SER QB 2.748 . 3.695 3.064 2.932 3.089 . 0 0 "[ . 1 . 2 ]" 2
257 1 69 GLY QA 1 70 SER H 3.108 . 4.333 2.592 2.535 2.741 . 0 0 "[ . 1 . 2 ]" 2
258 1 71 GLY H 1 72 THR H 2.847 . 3.894 2.600 2.482 2.662 . 0 0 "[ . 1 . 2 ]" 2
259 1 70 SER H 1 72 THR H 3.281 2.411 4.151 3.791 3.571 3.991 . 0 0 "[ . 1 . 2 ]" 2
260 1 72 THR H 1 72 THR HA 2.961 2.230 3.692 2.943 2.936 2.946 . 0 0 "[ . 1 . 2 ]" 2
261 1 71 GLY QA 1 72 THR H 3.155 2.344 3.966 2.917 2.891 2.932 . 0 0 "[ . 1 . 2 ]" 2
262 1 72 THR H 1 72 THR MG 3.461 2.496 4.426 2.687 2.243 3.019 0.253 2 0 "[ . 1 . 2 ]" 2
263 1 73 ILE H 1 73 ILE HA 2.978 2.182 3.774 2.936 2.911 2.950 . 0 0 "[ . 1 . 2 ]" 2
264 1 72 THR HA 1 73 ILE H 2.408 . 2.995 2.263 2.154 2.529 . 0 0 "[ . 1 . 2 ]" 2
265 1 72 THR HB 1 73 ILE H 2.661 . 3.330 2.868 2.293 3.278 . 0 0 "[ . 1 . 2 ]" 2
266 1 73 ILE H 1 73 ILE HB 2.593 . 3.239 2.619 2.560 2.682 . 0 0 "[ . 1 . 2 ]" 2
267 1 37 ILE HB 1 73 ILE H 2.883 2.128 3.638 3.306 2.913 3.500 . 0 0 "[ . 1 . 2 ]" 2
268 1 73 ILE H 1 73 ILE QG 2.917 2.148 3.686 2.387 2.213 2.632 . 0 0 "[ . 1 . 2 ]" 2
269 1 74 ASP H 1 77 GLU QB 2.932 2.050 3.814 2.016 1.871 2.402 0.179 1 0 "[ . 1 . 2 ]" 2
270 1 74 ASP H 1 74 ASP HA 2.968 2.212 3.724 2.835 2.767 2.877 . 0 0 "[ . 1 . 2 ]" 2
271 1 73 ILE HA 1 74 ASP H 2.262 . 2.724 2.151 2.137 2.224 . 0 0 "[ . 1 . 2 ]" 2
272 1 74 ASP H 1 74 ASP QB 3.146 2.311 3.981 2.164 2.057 2.583 0.254 14 0 "[ . 1 . 2 ]" 2
273 1 73 ILE MG 1 74 ASP H 3.798 2.596 5.000 2.859 2.520 3.356 0.076 14 0 "[ . 1 . 2 ]" 2
274 1 75 PHE H 1 76 GLU H 3.007 2.204 3.810 3.157 2.946 3.324 . 0 0 "[ . 1 . 2 ]" 2
275 1 74 ASP HA 1 75 PHE H 2.716 2.100 3.332 2.727 2.607 2.779 . 0 0 "[ . 1 . 2 ]" 2
276 1 75 PHE H 1 75 PHE HA 2.951 2.262 3.640 2.802 2.759 2.838 . 0 0 "[ . 1 . 2 ]" 2
277 1 74 ASP QB 1 75 PHE H 2.759 . 3.555 2.187 1.928 2.635 0.035 9 0 "[ . 1 . 2 ]" 2
278 1 75 PHE H 1 75 PHE QB 2.620 2.013 3.227 2.216 2.046 2.444 . 0 0 "[ . 1 . 2 ]" 2
279 1 76 GLU H 1 76 GLU HA 3.377 2.519 3.643 2.817 2.768 2.848 . 0 0 "[ . 1 . 2 ]" 2
280 1 76 GLU H 1 77 GLU H 2.597 . 3.271 2.613 2.520 2.752 . 0 0 "[ . 1 . 2 ]" 2
281 1 76 GLU H 1 76 GLU QG 2.847 2.190 3.504 2.443 1.961 3.130 0.229 7 0 "[ . 1 . 2 ]" 2
282 1 76 GLU H 1 76 GLU QB 3.003 2.294 3.712 2.498 2.283 2.743 0.011 16 0 "[ . 1 . 2 ]" 2
283 1 77 GLU H 1 77 GLU HA 2.974 2.194 3.754 2.764 2.751 2.783 . 0 0 "[ . 1 . 2 ]" 2
284 1 77 GLU H 1 77 GLU QG 2.815 . 3.701 3.068 2.793 3.303 . 0 0 "[ . 1 . 2 ]" 2
285 1 77 GLU H 1 77 GLU QB 2.638 . 3.289 2.095 2.040 2.177 . 0 0 "[ . 1 . 2 ]" 2
286 1 77 GLU H 1 78 PHE H 2.806 2.002 3.610 2.763 2.714 2.795 . 0 0 "[ . 1 . 2 ]" 2
287 1 78 PHE H 1 79 LEU H 2.897 2.146 3.648 2.610 2.552 2.724 . 0 0 "[ . 1 . 2 ]" 2
288 1 78 PHE H 1 78 PHE HA 2.948 2.272 3.624 2.837 2.795 2.858 . 0 0 "[ . 1 . 2 ]" 2
289 1 78 PHE H 1 78 PHE QB 2.763 2.114 3.412 2.270 2.193 2.600 . 0 0 "[ . 1 . 2 ]" 2
290 1 77 GLU QB 1 78 PHE H 3.241 2.462 4.020 2.992 2.876 3.099 . 0 0 "[ . 1 . 2 ]" 2
291 1 73 ILE MG 1 78 PHE H 3.635 2.678 4.592 2.790 2.622 2.973 0.056 18 0 "[ . 1 . 2 ]" 2
292 1 79 LEU H 1 80 VAL H 2.947 2.072 3.822 2.228 2.144 2.291 . 0 0 "[ . 1 . 2 ]" 2
293 1 79 LEU H 1 79 LEU HA 2.961 2.230 3.692 2.923 2.909 2.929 . 0 0 "[ . 1 . 2 ]" 2
294 1 79 LEU H 1 79 LEU QB 3.033 2.115 3.951 2.413 2.349 2.476 . 0 0 "[ . 1 . 2 ]" 2
295 1 79 LEU H 1 79 LEU HG 2.612 . 3.225 3.138 2.823 3.242 0.017 20 0 "[ . 1 . 2 ]" 2
296 1 80 VAL H 1 81 MET H 2.853 2.149 3.557 2.583 2.404 2.685 . 0 0 "[ . 1 . 2 ]" 2
297 1 80 VAL H 1 80 VAL HA 2.954 2.252 3.656 2.825 2.792 2.878 . 0 0 "[ . 1 . 2 ]" 2
298 1 80 VAL H 1 80 VAL HB 2.456 . 3.009 2.524 2.387 2.701 . 0 0 "[ . 1 . 2 ]" 2
299 1 10 ALA MB 1 80 VAL H 3.952 2.904 5.000 2.776 2.617 2.976 0.287 9 0 "[ . 1 . 2 ]" 2
300 1 80 VAL H 1 80 VAL QG 3.482 2.251 4.713 2.140 1.900 2.326 0.351 12 0 "[ . 1 . 2 ]" 2
301 1 80 VAL H 1 81 MET QG 3.289 2.454 4.124 3.582 3.425 3.692 . 0 0 "[ . 1 . 2 ]" 2
302 1 81 MET H 1 81 MET HA 2.960 2.236 3.684 2.753 2.723 2.791 . 0 0 "[ . 1 . 2 ]" 2
303 1 81 MET H 1 81 MET QB 2.696 2.062 3.330 2.684 2.612 2.722 . 0 0 "[ . 1 . 2 ]" 2
304 1 81 MET H 1 81 MET ME 3.836 2.672 5.000 4.200 4.165 4.342 . 0 0 "[ . 1 . 2 ]" 2
305 1 82 MET H 1 83 VAL H 2.898 2.176 3.620 2.333 2.236 2.482 . 0 0 "[ . 1 . 2 ]" 2
306 1 79 LEU HA 1 82 MET H 3.141 2.317 3.965 3.764 3.674 3.891 . 0 0 "[ . 1 . 2 ]" 2
307 1 81 MET QB 1 82 MET H 2.846 2.143 3.549 3.217 3.189 3.385 . 0 0 "[ . 1 . 2 ]" 2
308 1 82 MET H 1 82 MET QB 2.828 . 3.680 2.127 2.062 2.176 . 0 0 "[ . 1 . 2 ]" 2
309 1 82 MET H 1 82 MET HA 2.966 2.218 3.714 2.886 2.848 2.908 . 0 0 "[ . 1 . 2 ]" 2
310 1 83 VAL H 1 83 VAL HA 2.957 2.245 3.669 2.814 2.785 2.845 . 0 0 "[ . 1 . 2 ]" 2
311 1 83 VAL H 1 84 ARG H 2.762 2.081 3.443 2.629 2.514 2.710 . 0 0 "[ . 1 . 2 ]" 2
312 1 83 VAL H 1 83 VAL HB 2.450 . 3.006 2.549 2.474 2.622 . 0 0 "[ . 1 . 2 ]" 2
313 1 82 MET QB 1 83 VAL H 3.033 2.293 3.773 2.869 2.581 3.024 . 0 0 "[ . 1 . 2 ]" 2
314 1 10 ALA MB 1 83 VAL H 3.917 2.834 5.000 4.135 3.887 4.184 . 0 0 "[ . 1 . 2 ]" 2
315 1 83 VAL H 1 83 VAL QG 3.624 2.248 5.000 2.162 1.944 2.317 0.304 20 0 "[ . 1 . 2 ]" 2
316 1 84 ARG H 1 85 GLN H 3.017 2.247 3.787 2.531 2.403 2.645 . 0 0 "[ . 1 . 2 ]" 2
317 1 84 ARG H 1 84 ARG HA 2.946 2.280 3.612 2.850 2.809 2.885 . 0 0 "[ . 1 . 2 ]" 2
318 1 83 VAL HA 1 84 ARG H 3.442 2.598 4.286 3.507 3.450 3.542 . 0 0 "[ . 1 . 2 ]" 2
319 1 83 VAL HB 1 84 ARG H 3.017 2.329 3.705 2.769 2.583 3.053 . 0 0 "[ . 1 . 2 ]" 2
320 1 84 ARG H 1 84 ARG QG 3.412 2.581 4.243 2.404 2.288 2.607 0.293 5 0 "[ . 1 . 2 ]" 2
321 1 85 GLN H 1 86 MET H 2.784 . 3.768 2.079 1.907 2.420 . 0 0 "[ . 1 . 2 ]" 2
322 1 85 GLN H 1 85 GLN HA 2.954 2.253 3.655 2.942 2.931 2.949 . 0 0 "[ . 1 . 2 ]" 2
323 1 85 GLN H 1 85 GLN QG 3.356 2.493 4.219 2.319 2.191 2.487 0.302 10 0 "[ . 1 . 2 ]" 2
324 1 85 GLN H 1 85 GLN QB 3.011 2.197 3.825 2.717 2.611 2.843 . 0 0 "[ . 1 . 2 ]" 2
325 1 85 GLN H 1 86 MET QB 3.361 2.496 4.226 3.783 3.747 3.801 . 0 0 "[ . 1 . 2 ]" 2
326 1 86 MET H 1 87 LYS H 2.778 . 3.756 2.487 1.924 3.108 . 0 0 "[ . 1 . 2 ]" 2
327 1 86 MET H 1 86 MET QG 2.840 . 3.880 2.981 2.680 3.463 . 0 0 "[ . 1 . 2 ]" 2
328 1 83 VAL HA 1 86 MET H 3.155 . 4.343 3.243 3.012 3.569 . 0 0 "[ . 1 . 2 ]" 2
329 1 86 MET H 1 87 LYS QD 3.631 2.262 5.000 4.155 3.370 4.466 . 0 0 "[ . 1 . 2 ]" 2
330 1 86 MET QB 1 87 LYS H 3.611 2.513 4.709 2.581 2.096 3.579 0.417 1 0 "[ . 1 . 2 ]" 2
331 1 86 MET HA 1 87 LYS H 3.454 2.640 4.268 3.545 3.473 3.573 . 0 0 "[ . 1 . 2 ]" 2
332 1 87 LYS H 1 87 LYS HA 2.942 2.295 3.589 2.848 2.780 2.949 . 0 0 "[ . 1 . 2 ]" 2
333 1 87 LYS H 1 87 LYS QB 2.970 2.164 3.776 2.355 2.120 3.121 0.044 11 0 "[ . 1 . 2 ]" 2
334 1 87 LYS H 1 87 LYS QG 3.066 2.383 3.749 2.976 2.117 3.356 0.266 5 0 "[ . 1 . 2 ]" 2
335 1 87 LYS H 1 88 GLU H 3.285 2.540 4.030 3.081 2.533 4.027 0.007 6 0 "[ . 1 . 2 ]" 2
336 1 88 GLU H 1 88 GLU HA 2.940 2.299 3.581 2.699 2.278 2.938 0.021 9 0 "[ . 1 . 2 ]" 2
337 1 88 GLU H 1 88 GLU QG 3.801 2.852 4.750 3.619 2.555 4.197 0.297 12 0 "[ . 1 . 2 ]" 2
338 1 88 GLU H 1 88 GLU QB 3.266 2.360 4.172 2.646 2.156 3.373 0.204 21 0 "[ . 1 . 2 ]" 2
339 1 88 GLU H 1 89 ASP H 3.257 . 4.714 4.031 2.630 4.618 . 0 0 "[ . 1 . 2 ]" 2
340 1 88 GLU HA 1 89 ASP H 3.009 . 4.218 2.598 2.142 3.573 . 0 0 "[ . 1 . 2 ]" 2
341 1 89 ASP H 1 89 ASP QB 3.400 . 5.000 2.589 2.131 3.470 . 0 0 "[ . 1 . 2 ]" 2
342 1 88 GLU QB 1 89 ASP H 3.400 . 5.000 3.019 1.994 3.954 . 0 0 "[ . 1 . 2 ]" 2
343 1 89 ASP H 1 90 ALA H 3.365 . 4.930 3.566 2.015 4.613 . 0 0 "[ . 1 . 2 ]" 2
344 1 89 ASP HA 1 90 ALA H 2.919 2.256 3.582 2.723 2.249 3.551 0.007 20 0 "[ . 1 . 2 ]" 2
345 1 90 ALA H 1 90 ALA HA 2.947 2.275 3.619 2.683 2.275 2.942 0.000 21 0 "[ . 1 . 2 ]" 2
346 1 90 ALA H 1 90 ALA MB 3.075 2.362 3.788 2.554 2.082 2.905 0.280 20 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 284
_Distance_constraint_stats_list.Viol_total 992.779
_Distance_constraint_stats_list.Viol_max 0.505
_Distance_constraint_stats_list.Viol_rms 0.0777
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0221
_Distance_constraint_stats_list.Viol_average_violations_only 0.1665
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 18 MET 1.450 0.185 20 0 "[ . 1 . 2 ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ALA 2.514 0.201 20 0 "[ . 1 . 2 ]"
1 28 MET 1.223 0.185 20 0 "[ . 1 . 2 ]"
1 45 VAL 4.915 0.262 5 0 "[ . 1 . 2 ]"
1 46 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 MET 7.190 0.376 4 0 "[ . 1 . 2 ]"
1 49 LEU 20.858 0.505 11 1 "[ . 1+ . 2 ]"
1 61 ILE 0.015 0.015 11 0 "[ . 1 . 2 ]"
1 81 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 MET 7.819 0.435 8 0 "[ . 1 . 2 ]"
1 86 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 1 ARG 0.015 0.015 11 0 "[ . 1 . 2 ]"
2 2 MET 0.227 0.077 18 0 "[ . 1 . 2 ]"
2 3 SER 0.870 0.337 1 0 "[ . 1 . 2 ]"
2 4 ALA 2.229 0.347 7 0 "[ . 1 . 2 ]"
2 5 ASP 0.337 0.081 1 0 "[ . 1 . 2 ]"
2 6 ALA 1.925 0.337 1 0 "[ . 1 . 2 ]"
2 7 MET 6.874 0.318 18 0 "[ . 1 . 2 ]"
2 8 LEU 9.337 0.435 8 0 "[ . 1 . 2 ]"
2 9 ARG 1.019 0.257 1 0 "[ . 1 . 2 ]"
2 10 ALA 10.413 0.505 11 1 "[ . 1+ . 2 ]"
2 11 LEU 20.735 0.376 4 0 "[ . 1 . 2 ]"
2 12 LEU 0.478 0.092 8 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 2 1 ARG HA 2 1 ARG HD3 5.000 . 5.000 4.456 3.974 4.877 . 0 0 "[ . 1 . 2 ]" 3
2 2 1 ARG HA 2 2 MET H 5.000 . 5.000 3.165 2.154 3.577 . 0 0 "[ . 1 . 2 ]" 3
3 2 2 MET HA 2 3 SER H 5.000 . 5.000 3.077 2.283 3.573 . 0 0 "[ . 1 . 2 ]" 3
4 2 3 SER HA 2 4 ALA H 5.000 . 5.000 2.821 2.358 3.517 . 0 0 "[ . 1 . 2 ]" 3
5 2 4 ALA HA 2 5 ASP H 5.000 . 5.000 3.309 3.148 3.543 . 0 0 "[ . 1 . 2 ]" 3
6 2 4 ALA MB 2 5 ASP H 5.000 . 5.000 3.260 2.738 3.482 . 0 0 "[ . 1 . 2 ]" 3
7 2 5 ASP H 2 5 ASP HB3 2.800 . 2.800 2.745 2.619 2.881 0.081 1 0 "[ . 1 . 2 ]" 3
8 2 3 SER HA 2 6 ALA H 5.000 . 5.000 5.014 4.774 5.337 0.337 1 0 "[ . 1 . 2 ]" 3
9 2 5 ASP HB3 2 6 ALA HA 5.000 . 5.000 4.157 4.027 4.298 . 0 0 "[ . 1 . 2 ]" 3
10 2 5 ASP HA 2 6 ALA H 5.000 . 5.000 3.484 3.469 3.498 . 0 0 "[ . 1 . 2 ]" 3
11 2 5 ASP HB3 2 6 ALA H 3.400 . 3.400 2.927 2.834 3.007 . 0 0 "[ . 1 . 2 ]" 3
12 2 5 ASP H 2 6 ALA H 5.000 . 5.000 2.841 2.685 2.947 . 0 0 "[ . 1 . 2 ]" 3
13 2 6 ALA H 2 6 ALA MB 3.400 . 3.400 2.151 2.052 2.240 . 0 0 "[ . 1 . 2 ]" 3
14 2 4 ALA HA 2 7 MET ME 5.000 . 5.000 4.594 3.751 4.792 . 0 0 "[ . 1 . 2 ]" 3
15 2 4 ALA HA 2 7 MET H 5.000 . 5.000 3.787 3.221 4.150 . 0 0 "[ . 1 . 2 ]" 3
16 2 5 ASP HA 2 7 MET H 5.000 . 5.000 4.852 4.426 5.004 0.004 19 0 "[ . 1 . 2 ]" 3
17 2 6 ALA HA 2 7 MET H 5.000 . 5.000 3.576 3.567 3.581 . 0 0 "[ . 1 . 2 ]" 3
18 2 6 ALA MB 2 7 MET H 5.000 . 5.000 2.123 1.952 2.385 . 0 0 "[ . 1 . 2 ]" 3
19 2 6 ALA H 2 7 MET H 5.000 . 5.000 3.060 2.867 3.259 . 0 0 "[ . 1 . 2 ]" 3
20 2 7 MET HA 2 7 MET ME 5.000 . 5.000 4.124 3.934 4.508 . 0 0 "[ . 1 . 2 ]" 3
21 2 7 MET H 2 7 MET HG3 5.000 . 5.000 4.577 4.507 4.663 . 0 0 "[ . 1 . 2 ]" 3
22 2 5 ASP HA 2 8 LEU H 5.000 . 5.000 3.341 3.088 3.480 . 0 0 "[ . 1 . 2 ]" 3
23 2 7 MET HA 2 8 LEU H 5.000 . 5.000 3.497 3.473 3.517 . 0 0 "[ . 1 . 2 ]" 3
24 2 7 MET H 2 8 LEU H 5.000 . 5.000 2.656 2.535 2.762 . 0 0 "[ . 1 . 2 ]" 3
25 2 8 LEU HA 2 8 LEU MD1 3.400 . 3.400 2.708 2.239 2.850 . 0 0 "[ . 1 . 2 ]" 3
26 2 6 ALA HA 2 9 ARG HB3 3.400 . 3.400 3.175 2.990 3.420 0.020 1 0 "[ . 1 . 2 ]" 3
27 2 6 ALA HA 2 9 ARG H 3.400 . 3.400 3.447 3.425 3.657 0.257 1 0 "[ . 1 . 2 ]" 3
28 2 9 ARG H 2 9 ARG HB3 2.800 . 2.800 2.642 2.477 2.803 0.003 20 0 "[ . 1 . 2 ]" 3
29 2 9 ARG H 2 9 ARG HG3 5.000 . 5.000 4.505 4.366 4.708 . 0 0 "[ . 1 . 2 ]" 3
30 2 6 ALA HA 2 10 ALA H 5.000 . 5.000 4.815 4.265 5.009 0.009 18 0 "[ . 1 . 2 ]" 3
31 2 7 MET HA 2 10 ALA H 5.000 . 5.000 3.370 3.008 3.564 . 0 0 "[ . 1 . 2 ]" 3
32 2 9 ARG HA 2 10 ALA H 5.000 . 5.000 3.208 3.103 3.438 . 0 0 "[ . 1 . 2 ]" 3
33 2 9 ARG HB3 2 10 ALA H 5.000 . 5.000 3.667 3.109 3.876 . 0 0 "[ . 1 . 2 ]" 3
34 2 9 ARG H 2 10 ALA H 5.000 . 5.000 2.521 2.225 2.676 . 0 0 "[ . 1 . 2 ]" 3
35 2 10 ALA H 2 10 ALA MB 2.800 . 2.800 2.159 2.075 2.275 . 0 0 "[ . 1 . 2 ]" 3
36 2 10 ALA MB 2 11 LEU MD1 5.000 . 5.000 3.489 3.476 3.683 . 0 0 "[ . 1 . 2 ]" 3
37 2 10 ALA MB 2 11 LEU MD2 5.000 . 5.000 3.476 3.470 3.515 . 0 0 "[ . 1 . 2 ]" 3
38 2 10 ALA MB 2 11 LEU H 3.400 . 3.400 1.902 1.847 1.949 . 0 0 "[ . 1 . 2 ]" 3
39 2 11 LEU HA 2 11 LEU MD2 2.800 . 2.800 2.331 2.282 2.431 . 0 0 "[ . 1 . 2 ]" 3
40 2 11 LEU HA 2 11 LEU HG 3.400 . 3.400 2.953 2.916 2.993 . 0 0 "[ . 1 . 2 ]" 3
41 2 11 LEU H 2 11 LEU MD1 5.000 . 5.000 3.181 3.104 3.340 . 0 0 "[ . 1 . 2 ]" 3
42 2 11 LEU H 2 11 LEU MD2 5.000 . 5.000 3.556 3.456 3.605 . 0 0 "[ . 1 . 2 ]" 3
43 2 11 LEU H 2 11 LEU HG 3.400 . 3.400 2.098 1.952 2.181 . 0 0 "[ . 1 . 2 ]" 3
44 2 8 LEU HA 2 12 LEU H 5.000 . 5.000 4.978 4.705 5.056 0.056 18 0 "[ . 1 . 2 ]" 3
45 2 9 ARG HA 2 12 LEU H 5.000 . 5.000 3.598 3.411 3.750 . 0 0 "[ . 1 . 2 ]" 3
46 2 11 LEU HA 2 12 LEU H 5.000 . 5.000 3.412 3.249 3.494 . 0 0 "[ . 1 . 2 ]" 3
47 2 11 LEU HG 2 12 LEU H 5.000 . 5.000 4.329 4.184 4.516 . 0 0 "[ . 1 . 2 ]" 3
48 2 11 LEU H 2 12 LEU H 3.400 . 3.400 2.513 2.413 2.626 . 0 0 "[ . 1 . 2 ]" 3
49 2 12 LEU HA 2 12 LEU MD2 2.800 . 2.800 2.168 1.963 2.337 . 0 0 "[ . 1 . 2 ]" 3
50 2 12 LEU HA 2 12 LEU HG 3.400 . 3.400 2.685 2.435 3.095 . 0 0 "[ . 1 . 2 ]" 3
51 2 12 LEU H 2 12 LEU HA 2.800 . 2.800 2.494 2.270 2.892 0.092 8 0 "[ . 1 . 2 ]" 3
52 2 12 LEU H 2 12 LEU HG 5.000 . 5.000 3.590 2.752 4.647 . 0 0 "[ . 1 . 2 ]" 3
53 1 49 LEU HG 2 11 LEU QD 4.000 . 6.000 3.193 2.907 3.629 . 0 0 "[ . 1 . 2 ]" 3
54 1 49 LEU QD 2 11 LEU QD 4.000 . 6.000 2.001 1.886 2.471 0.114 15 0 "[ . 1 . 2 ]" 3
55 1 49 LEU QD 2 11 LEU HG 4.000 . 6.000 1.862 1.736 2.404 0.264 15 0 "[ . 1 . 2 ]" 3
56 1 49 LEU QD 2 10 ALA MB 4.000 . 6.000 1.537 1.495 1.631 0.505 11 1 "[ . 1+ . 2 ]" 3
57 1 49 LEU QD 2 7 MET ME 4.000 . 6.000 3.710 3.683 3.733 . 0 0 "[ . 1 . 2 ]" 3
58 1 49 LEU QD 2 11 LEU QB 4.000 . 6.000 3.462 3.296 3.967 . 0 0 "[ . 1 . 2 ]" 3
59 1 49 LEU QD 2 7 MET QG 4.000 . 6.000 1.734 1.682 1.866 0.318 18 0 "[ . 1 . 2 ]" 3
60 1 45 VAL QG 2 11 LEU QD 4.000 . 6.000 1.766 1.738 1.845 0.262 5 0 "[ . 1 . 2 ]" 3
61 1 82 MET ME 2 8 LEU QB 4.000 . 6.000 3.840 3.351 4.220 . 0 0 "[ . 1 . 2 ]" 3
62 1 82 MET ME 2 4 ALA HA 4.000 . 6.000 4.364 3.524 5.016 . 0 0 "[ . 1 . 2 ]" 3
63 1 82 MET ME 2 5 ASP QB 4.000 . 6.000 4.108 3.421 4.473 . 0 0 "[ . 1 . 2 ]" 3
64 1 82 MET ME 2 7 MET ME 4.000 . 6.000 3.881 3.114 4.173 . 0 0 "[ . 1 . 2 ]" 3
65 1 82 MET ME 2 8 LEU QD 4.000 . 6.000 1.745 1.565 2.149 0.435 8 0 "[ . 1 . 2 ]" 3
66 1 25 ALA MB 2 7 MET ME 4.000 . 6.000 3.192 2.462 4.091 . 0 0 "[ . 1 . 2 ]" 3
67 1 25 ALA MB 2 10 ALA MB 4.000 . 6.000 4.179 4.167 4.288 . 0 0 "[ . 1 . 2 ]" 3
68 1 25 ALA MB 2 11 LEU QD 4.000 . 6.000 1.887 1.799 2.101 0.201 20 0 "[ . 1 . 2 ]" 3
69 1 86 MET ME 2 4 ALA MB 4.000 . 6.000 4.106 3.780 4.184 . 0 0 "[ . 1 . 2 ]" 3
70 1 18 MET ME 2 3 SER HA 4.000 . 6.000 3.225 2.957 3.633 . 0 0 "[ . 1 . 2 ]" 3
71 1 18 MET ME 2 3 SER QB 4.000 . 6.000 4.461 4.454 4.534 . 0 0 "[ . 1 . 2 ]" 3
72 1 18 MET ME 2 4 ALA MB 4.000 . 6.000 4.053 3.325 4.164 . 0 0 "[ . 1 . 2 ]" 3
73 1 46 MET ME 2 8 LEU QD 4.000 . 6.000 3.728 3.713 3.811 . 0 0 "[ . 1 . 2 ]" 3
74 1 24 ALA MB 2 7 MET QG 4.000 . 6.000 4.495 4.467 4.820 . 0 0 "[ . 1 . 2 ]" 3
75 1 48 MET ME 2 11 LEU QB 4.000 . 6.000 3.985 3.877 4.125 . 0 0 "[ . 1 . 2 ]" 3
76 1 48 MET ME 2 10 ALA MB 4.000 . 6.000 4.067 3.932 4.272 . 0 0 "[ . 1 . 2 ]" 3
77 1 48 MET ME 2 11 LEU QD 4.000 . 6.000 1.658 1.624 1.686 0.376 4 0 "[ . 1 . 2 ]" 3
78 1 28 MET ME 2 11 LEU HA 4.000 . 6.000 4.820 4.586 4.999 . 0 0 "[ . 1 . 2 ]" 3
79 1 46 MET ME 2 1 ARG HA 4.000 . 6.000 4.887 4.036 5.007 . 0 0 "[ . 1 . 2 ]" 3
80 1 81 MET ME 2 1 ARG HA 4.000 . 6.000 4.879 4.609 5.010 . 0 0 "[ . 1 . 2 ]" 3
81 1 81 MET ME 2 8 LEU QD 4.000 . 6.000 3.730 3.707 3.901 . 0 0 "[ . 1 . 2 ]" 3
82 1 61 ILE MD 2 1 ARG HA 4.000 . 6.000 3.844 2.691 4.923 . 0 0 "[ . 1 . 2 ]" 3
83 1 61 ILE MG 2 1 ARG QB 4.000 . 6.000 4.030 2.582 4.457 . 0 0 "[ . 1 . 2 ]" 3
84 1 86 MET ME 2 8 LEU QD 4.000 . 6.000 3.738 3.709 3.996 . 0 0 "[ . 1 . 2 ]" 3
85 1 48 MET ME 2 11 LEU HG 4.000 . 6.000 3.119 3.009 3.216 . 0 0 "[ . 1 . 2 ]" 3
86 1 25 ALA MB 2 7 MET QG 4.000 . 6.000 2.917 2.563 3.185 . 0 0 "[ . 1 . 2 ]" 3
87 1 45 VAL QG 2 7 MET ME 4.000 . 6.000 3.227 2.646 3.491 . 0 0 "[ . 1 . 2 ]" 3
88 1 45 VAL QG 2 11 LEU QB 4.000 . 6.000 3.975 3.930 4.018 . 0 0 "[ . 1 . 2 ]" 3
89 1 18 MET ME 2 2 MET QG 4.000 . 6.000 4.495 4.453 5.114 . 0 0 "[ . 1 . 2 ]" 3
90 1 86 MET ME 2 2 MET QG 4.000 . 6.000 4.189 3.822 4.460 . 0 0 "[ . 1 . 2 ]" 3
91 1 48 MET ME 2 7 MET QG 4.000 . 6.000 4.346 4.162 4.456 . 0 0 "[ . 1 . 2 ]" 3
92 1 61 ILE MG 2 1 ARG HA 4.000 . 6.000 4.652 3.977 5.007 . 0 0 "[ . 1 . 2 ]" 3
93 1 46 MET ME 2 4 ALA MB 4.000 . 6.000 2.745 2.026 3.213 . 0 0 "[ . 1 . 2 ]" 3
94 1 48 MET ME 2 11 LEU HA 4.000 . 6.000 5.023 4.999 5.224 . 0 0 "[ . 1 . 2 ]" 3
95 1 61 ILE MD 2 1 ARG QB 4.000 . 6.000 2.876 1.985 3.717 0.015 11 0 "[ . 1 . 2 ]" 3
96 1 49 LEU QD 2 7 MET HA 4.000 . 6.000 2.012 1.870 2.184 0.130 20 0 "[ . 1 . 2 ]" 3
97 1 82 MET ME 2 4 ALA MB 4.000 . 6.000 2.107 1.653 2.747 0.347 7 0 "[ . 1 . 2 ]" 3
98 1 20 ALA MB 2 12 LEU QD 4.000 . 6.000 2.931 2.269 3.428 . 0 0 "[ . 1 . 2 ]" 3
99 1 18 MET ME 2 8 LEU QD 4.000 . 6.000 2.019 1.815 2.641 0.185 20 0 "[ . 1 . 2 ]" 3
100 1 81 MET ME 2 4 ALA MB 4.000 . 6.000 3.474 3.001 3.819 . 0 0 "[ . 1 . 2 ]" 3
101 1 49 LEU QD 2 7 MET HA 4.000 . 6.000 2.015 1.874 2.183 0.126 20 0 "[ . 1 . 2 ]" 3
102 1 18 MET ME 2 2 MET QG 4.000 . 6.000 2.206 1.923 2.752 0.077 18 0 "[ . 1 . 2 ]" 3
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