NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374032 |
1e5c   |
4623 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e5c
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 441
_Distance_constraint_stats_list.Viol_count 325
_Distance_constraint_stats_list.Viol_total 44.688
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0275
_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 2 GLY 0.000 0.000 . 0 "[ .]"
1 3 CYS 0.282 0.048 5 0 "[ .]"
1 4 SER 0.093 0.022 4 0 "[ .]"
1 5 VAL 1.029 0.089 2 0 "[ .]"
1 6 THR 0.000 0.000 . 0 "[ .]"
1 7 ALA 0.089 0.024 4 0 "[ .]"
1 8 THR 0.028 0.010 5 0 "[ .]"
1 9 ARG 0.043 0.014 3 0 "[ .]"
1 11 GLU 0.101 0.040 3 0 "[ .]"
1 12 GLU 0.000 0.000 . 0 "[ .]"
1 13 TRP 0.361 0.032 4 0 "[ .]"
1 14 SER 0.171 0.032 4 0 "[ .]"
1 15 ASP 0.772 0.094 5 0 "[ .]"
1 16 GLY 0.281 0.040 3 0 "[ .]"
1 17 PHE 0.419 0.084 4 0 "[ .]"
1 18 ASN 0.167 0.040 3 0 "[ .]"
1 19 VAL 0.073 0.035 4 0 "[ .]"
1 20 THR 0.431 0.095 1 0 "[ .]"
1 21 TYR 1.461 0.095 4 0 "[ .]"
1 22 SER 0.000 0.000 . 0 "[ .]"
1 23 VAL 0.406 0.053 2 0 "[ .]"
1 25 GLY 0.000 0.000 . 0 "[ .]"
1 26 SER 0.000 0.000 . 0 "[ .]"
1 27 SER 0.000 0.000 . 0 "[ .]"
1 28 ALA 0.000 0.000 . 0 "[ .]"
1 29 TRP 0.799 0.089 2 0 "[ .]"
1 30 THR 0.076 0.019 5 0 "[ .]"
1 31 VAL 0.091 0.026 4 0 "[ .]"
1 32 ASN 0.086 0.045 4 0 "[ .]"
1 33 LEU 0.000 0.000 . 0 "[ .]"
1 34 ALA 0.097 0.018 3 0 "[ .]"
1 35 LEU 0.267 0.048 2 0 "[ .]"
1 36 ASN 0.284 0.084 4 0 "[ .]"
1 37 GLY 0.000 0.000 . 0 "[ .]"
1 38 SER 0.004 0.002 4 0 "[ .]"
1 39 GLN 0.036 0.016 3 0 "[ .]"
1 40 THR 0.098 0.017 1 0 "[ .]"
1 41 ILE 0.107 0.017 1 0 "[ .]"
1 42 GLN 0.044 0.022 2 0 "[ .]"
1 43 ALA 0.140 0.023 1 0 "[ .]"
1 44 SER 0.013 0.007 1 0 "[ .]"
1 45 TRP 0.039 0.011 4 0 "[ .]"
1 46 ASN 0.011 0.011 4 0 "[ .]"
1 47 ALA 0.690 0.110 5 0 "[ .]"
1 48 ASN 0.000 0.000 . 0 "[ .]"
1 49 VAL 0.009 0.007 1 0 "[ .]"
1 50 THR 0.002 0.002 2 0 "[ .]"
1 51 GLY 0.038 0.010 3 0 "[ .]"
1 52 SER 0.669 0.134 4 0 "[ .]"
1 53 GLY 0.048 0.025 1 0 "[ .]"
1 55 THR 0.864 0.168 5 0 "[ .]"
1 56 ARG 0.090 0.031 4 0 "[ .]"
1 57 THR 0.034 0.019 1 0 "[ .]"
1 58 VAL 0.110 0.019 1 0 "[ .]"
1 59 THR 0.000 0.000 . 0 "[ .]"
1 60 PRO 0.016 0.006 5 0 "[ .]"
1 61 ASN 0.000 0.000 . 0 "[ .]"
1 62 GLY 0.000 0.000 . 0 "[ .]"
1 63 SER 0.000 0.000 . 0 "[ .]"
1 65 ASN 0.000 0.000 . 0 "[ .]"
1 66 THR 0.000 0.000 . 0 "[ .]"
1 67 PHE 0.159 0.022 4 0 "[ .]"
1 68 GLY 0.045 0.013 5 0 "[ .]"
1 69 VAL 0.025 0.010 3 0 "[ .]"
1 70 THR 0.020 0.007 2 0 "[ .]"
1 71 VAL 0.088 0.022 2 0 "[ .]"
1 72 MET 0.114 0.042 2 0 "[ .]"
1 73 LYS 0.169 0.031 1 0 "[ .]"
1 74 ASN 0.460 0.055 3 0 "[ .]"
1 75 GLY 0.204 0.055 3 0 "[ .]"
1 76 SER 0.000 0.000 . 0 "[ .]"
1 77 SER 0.000 0.000 . 0 "[ .]"
1 78 THR 0.000 0.000 . 0 "[ .]"
1 79 THR 0.399 0.095 4 0 "[ .]"
1 80 PRO 0.388 0.045 5 0 "[ .]"
1 81 ALA 0.091 0.037 4 0 "[ .]"
1 82 ALA 0.537 0.071 4 0 "[ .]"
1 83 THR 0.372 0.058 3 0 "[ .]"
1 84 CYS 0.489 0.054 1 0 "[ .]"
1 85 ALA 0.007 0.007 4 0 "[ .]"
1 86 GLY 0.000 0.000 . 0 "[ .]"
1 87 SER 0.000 0.000 . 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY QA 1 3 CYS H 2.500 . 2.500 2.243 2.166 2.320 . 0 0 "[ .]" 1
2 1 3 CYS HA 1 25 GLY QA 5.040 . 5.040 3.180 3.047 3.491 . 0 0 "[ .]" 1
3 1 3 CYS HA 1 4 SER H 2.500 . 2.500 2.469 2.288 2.522 0.022 4 0 "[ .]" 1
4 1 3 CYS HA 1 26 SER H 5.500 . 5.500 3.893 3.555 4.028 . 0 0 "[ .]" 1
5 1 3 CYS H 1 3 CYS HB3 3.000 . 3.000 2.565 2.338 3.024 0.024 4 0 "[ .]" 1
6 1 3 CYS H 1 84 CYS HB3 5.500 . 5.500 3.815 2.791 4.759 . 0 0 "[ .]" 1
7 1 3 CYS H 1 4 SER H 5.500 . 5.500 4.622 4.449 4.679 . 0 0 "[ .]" 1
8 1 3 CYS HB3 1 4 SER H 3.880 . 3.880 3.887 3.880 3.891 0.011 3 0 "[ .]" 1
9 1 3 CYS HB2 1 26 SER H 5.040 . 5.040 3.043 2.593 4.608 . 0 0 "[ .]" 1
10 1 3 CYS HB3 1 5 VAL QG 5.500 . 5.500 5.533 5.521 5.548 0.048 5 0 "[ .]" 1
11 1 4 SER HA 1 84 CYS HB3 4.620 . 4.620 3.821 3.557 4.202 . 0 0 "[ .]" 1
12 1 4 SER HA 1 5 VAL H 2.500 . 2.500 2.376 2.357 2.389 . 0 0 "[ .]" 1
13 1 4 SER H 1 23 VAL MG1 4.230 . 4.230 3.428 3.123 3.603 . 0 0 "[ .]" 1
14 1 5 VAL HA 1 5 VAL HB 3.000 . 3.000 2.433 2.417 2.451 . 0 0 "[ .]" 1
15 1 5 VAL HA 1 5 VAL QG 2.730 . 2.730 2.303 2.292 2.323 . 0 0 "[ .]" 1
16 1 5 VAL HA 1 23 VAL HA 3.550 . 3.550 1.869 1.866 1.874 0.034 5 0 "[ .]" 1
17 1 5 VAL HA 1 23 VAL MG1 4.230 . 4.230 3.285 3.150 3.400 . 0 0 "[ .]" 1
18 1 5 VAL HB 1 84 CYS HB2 4.230 . 4.230 2.695 2.618 2.772 . 0 0 "[ .]" 1
19 1 5 VAL HB 1 23 VAL MG1 4.620 . 4.620 3.111 3.032 3.208 . 0 0 "[ .]" 1
20 1 5 VAL HB 1 23 VAL MG2 3.260 . 3.260 2.075 1.897 2.338 0.003 5 0 "[ .]" 1
21 1 5 VAL HB 1 29 TRP HE3 4.230 . 4.230 4.308 4.292 4.319 0.089 2 0 "[ .]" 1
22 1 5 VAL H 1 84 CYS HB3 5.040 . 5.040 2.965 2.780 3.148 . 0 0 "[ .]" 1
23 1 5 VAL H 1 5 VAL HB 3.260 . 3.260 2.780 2.747 2.814 . 0 0 "[ .]" 1
24 1 5 VAL H 1 5 VAL QG 2.500 . 2.500 1.848 1.836 1.856 0.064 5 0 "[ .]" 1
25 1 5 VAL QG 1 82 ALA MB 2.500 . 2.500 2.434 2.336 2.498 . 0 0 "[ .]" 1
26 1 5 VAL QG 1 84 CYS HB3 2.730 . 2.730 2.692 2.476 2.761 0.031 5 0 "[ .]" 1
27 1 5 VAL QG 1 22 SER H 3.550 . 3.550 3.451 3.331 3.498 . 0 0 "[ .]" 1
28 1 5 VAL QG 1 83 THR H 5.040 . 5.040 3.666 3.558 3.828 . 0 0 "[ .]" 1
29 1 5 VAL QG 1 84 CYS H 3.880 . 3.880 2.948 2.707 3.046 . 0 0 "[ .]" 1
30 1 6 THR H 1 22 SER H 3.260 . 3.260 2.869 2.810 2.934 . 0 0 "[ .]" 1
31 1 6 THR H 1 22 SER QB 4.620 . 4.620 4.010 3.810 4.421 . 0 0 "[ .]" 1
32 1 7 ALA HA 1 21 TYR HA 5.500 . 5.500 1.946 1.879 2.047 0.021 5 0 "[ .]" 1
33 1 7 ALA H 1 7 ALA MB 2.500 . 2.500 2.499 2.461 2.524 0.024 4 0 "[ .]" 1
34 1 8 THR MG 1 9 ARG H 3.000 . 3.000 2.784 1.897 3.010 0.010 5 0 "[ .]" 1
35 1 9 ARG HA 1 9 ARG QD 3.880 . 3.880 3.154 2.732 3.894 0.014 3 0 "[ .]" 1
36 1 9 ARG HA 1 19 VAL MG2 3.260 . 3.260 2.680 2.470 3.196 . 0 0 "[ .]" 1
37 1 9 ARG H 1 19 VAL MG2 5.500 . 5.500 4.525 4.132 5.399 . 0 0 "[ .]" 1
38 1 9 ARG HB3 1 9 ARG QD 4.230 . 4.230 2.394 2.055 3.148 . 0 0 "[ .]" 1
39 1 9 ARG QD 1 79 THR H 5.500 . 5.500 3.703 3.335 4.139 . 0 0 "[ .]" 1
40 1 9 ARG QB 1 9 ARG HE 3.260 . 3.260 2.712 2.144 3.261 0.001 3 0 "[ .]" 1
41 1 9 ARG QD 1 9 ARG HE 2.500 . 2.500 2.320 2.239 2.432 . 0 0 "[ .]" 1
42 1 9 ARG QG 1 19 VAL MG2 5.040 . 5.040 2.754 2.473 3.316 . 0 0 "[ .]" 1
43 1 11 GLU HA 1 12 GLU H 2.500 . 2.500 2.473 2.453 2.495 . 0 0 "[ .]" 1
44 1 11 GLU H 1 12 GLU H 5.040 . 5.040 4.625 4.594 4.647 . 0 0 "[ .]" 1
45 1 11 GLU H 1 18 ASN QB 2.730 . 2.730 2.014 1.897 2.278 0.003 1 0 "[ .]" 1
46 1 11 GLU H 1 18 ASN QD 3.550 . 3.550 3.400 2.864 3.590 0.040 3 0 "[ .]" 1
47 1 12 GLU HA 1 18 ASN H 4.620 . 4.620 3.223 3.114 3.336 . 0 0 "[ .]" 1
48 1 13 TRP HA 1 14 SER H 2.730 . 2.730 2.756 2.750 2.762 0.032 4 0 "[ .]" 1
49 1 13 TRP H 1 17 PHE QB 3.550 . 3.550 3.538 3.422 3.577 0.027 4 0 "[ .]" 1
50 1 13 TRP H 1 16 GLY H 4.230 . 4.230 3.212 3.143 3.287 . 0 0 "[ .]" 1
51 1 13 TRP H 1 13 TRP QB 5.040 . 5.040 3.349 3.329 3.368 . 0 0 "[ .]" 1
52 1 13 TRP QB 1 15 ASP H 5.500 . 5.500 3.635 3.581 3.685 . 0 0 "[ .]" 1
53 1 13 TRP HD1 1 15 ASP HA 5.500 . 5.500 3.800 3.785 3.810 . 0 0 "[ .]" 1
54 1 13 TRP HD1 1 15 ASP QB 3.260 . 3.260 1.877 1.868 1.885 0.032 2 0 "[ .]" 1
55 1 13 TRP HD1 1 16 GLY H 3.000 . 3.000 2.436 2.414 2.466 . 0 0 "[ .]" 1
56 1 13 TRP HD1 1 72 MET ME 5.500 . 5.500 5.095 4.698 5.501 0.001 3 0 "[ .]" 1
57 1 13 TRP HD1 1 14 SER H 3.550 . 3.550 3.216 3.180 3.237 . 0 0 "[ .]" 1
58 1 13 TRP HD1 1 14 SER QB 4.230 . 4.230 4.238 4.226 4.244 0.014 2 0 "[ .]" 1
59 1 13 TRP HA 1 13 TRP HD1 4.620 . 4.620 4.495 4.485 4.510 . 0 0 "[ .]" 1
60 1 13 TRP QB 1 13 TRP HD1 2.730 . 2.730 2.580 2.572 2.588 . 0 0 "[ .]" 1
61 1 13 TRP HE1 1 15 ASP H 5.040 . 5.040 3.818 3.795 3.833 . 0 0 "[ .]" 1
62 1 13 TRP HE1 1 15 ASP QB 3.880 . 3.880 1.927 1.897 1.971 0.003 2 0 "[ .]" 1
63 1 13 TRP HE1 1 16 GLY H 3.880 . 3.880 2.444 2.391 2.465 . 0 0 "[ .]" 1
64 1 13 TRP HE1 1 16 GLY HA3 5.500 . 5.500 4.229 4.189 4.291 . 0 0 "[ .]" 1
65 1 13 TRP HE1 1 72 MET ME 5.040 . 5.040 3.569 3.394 3.719 . 0 0 "[ .]" 1
66 1 13 TRP HZ2 1 17 PHE H 4.620 . 4.620 4.395 4.133 4.593 . 0 0 "[ .]" 1
67 1 14 SER HA 1 15 ASP H 4.230 . 4.230 2.800 2.779 2.826 . 0 0 "[ .]" 1
68 1 14 SER HA 1 16 GLY H 5.500 . 5.500 4.608 4.592 4.631 . 0 0 "[ .]" 1
69 1 14 SER H 1 15 ASP H 3.880 . 3.880 3.308 3.276 3.332 . 0 0 "[ .]" 1
70 1 14 SER H 1 16 GLY H 5.500 . 5.500 4.657 4.644 4.675 . 0 0 "[ .]" 1
71 1 14 SER QB 1 16 GLY H 5.500 . 5.500 5.453 5.430 5.474 . 0 0 "[ .]" 1
72 1 15 ASP HA 1 15 ASP QB 2.500 . 2.500 2.505 2.499 2.512 0.012 4 0 "[ .]" 1
73 1 15 ASP HA 1 16 GLY H 3.550 . 3.550 3.545 3.540 3.548 . 0 0 "[ .]" 1
74 1 15 ASP HA 1 73 LYS H 5.040 . 5.040 4.661 4.323 4.860 . 0 0 "[ .]" 1
75 1 15 ASP H 1 15 ASP QB 2.730 . 2.730 2.819 2.801 2.824 0.094 5 0 "[ .]" 1
76 1 15 ASP H 1 16 GLY H 2.730 . 2.730 1.864 1.860 1.870 0.040 3 0 "[ .]" 1
77 1 15 ASP QB 1 16 GLY H 4.230 . 4.230 2.673 2.637 2.701 . 0 0 "[ .]" 1
78 1 16 GLY H 1 17 PHE H 5.040 . 5.040 4.370 4.351 4.387 . 0 0 "[ .]" 1
79 1 16 GLY H 1 17 PHE QB 5.500 . 5.500 4.912 4.839 4.967 . 0 0 "[ .]" 1
80 1 16 GLY HA2 1 72 MET HA 4.620 . 4.620 2.900 2.804 3.029 . 0 0 "[ .]" 1
81 1 16 GLY HA2 1 17 PHE H 2.730 . 2.730 2.662 2.496 2.733 0.003 5 0 "[ .]" 1
82 1 16 GLY HA3 1 73 LYS H 3.550 . 3.550 1.881 1.869 1.892 0.031 1 0 "[ .]" 1
83 1 17 PHE HA 1 18 ASN H 2.730 . 2.730 2.208 2.182 2.223 . 0 0 "[ .]" 1
84 1 17 PHE H 1 72 MET HA 5.040 . 5.040 4.451 4.269 4.631 . 0 0 "[ .]" 1
85 1 17 PHE H 1 70 THR HA 5.500 . 5.500 4.180 3.975 4.346 . 0 0 "[ .]" 1
86 1 17 PHE H 1 71 VAL H 3.550 . 3.550 2.738 2.297 3.029 . 0 0 "[ .]" 1
87 1 17 PHE HZ 1 36 ASN QD 3.260 . 3.260 3.298 3.270 3.344 0.084 4 0 "[ .]" 1
88 1 17 PHE HZ 1 80 PRO HD3 2.730 . 2.730 2.374 2.290 2.470 . 0 0 "[ .]" 1
89 1 17 PHE HZ 1 79 THR H 5.040 . 5.040 4.622 4.536 4.665 . 0 0 "[ .]" 1
90 1 17 PHE QD 1 73 LYS H 5.040 . 5.040 3.836 3.743 3.978 . 0 0 "[ .]" 1
91 1 17 PHE QD 1 35 LEU QD 5.500 . 5.500 5.531 5.512 5.548 0.048 2 0 "[ .]" 1
92 1 17 PHE QD 1 18 ASN H 4.620 . 4.620 4.352 4.302 4.386 . 0 0 "[ .]" 1
93 1 17 PHE QD 1 18 ASN QB 5.500 . 5.500 5.358 5.293 5.410 . 0 0 "[ .]" 1
94 1 17 PHE QD 1 80 PRO HD2 5.500 . 5.500 4.563 4.498 4.643 . 0 0 "[ .]" 1
95 1 17 PHE QE 1 35 LEU QD 5.500 . 5.500 4.209 4.152 4.291 . 0 0 "[ .]" 1
96 1 17 PHE QE 1 77 SER HA 3.000 . 3.000 2.492 2.035 2.932 . 0 0 "[ .]" 1
97 1 17 PHE QE 1 79 THR H 5.500 . 5.500 4.426 4.390 4.478 . 0 0 "[ .]" 1
98 1 18 ASN HA 1 71 VAL H 3.880 . 3.880 3.377 3.079 3.687 . 0 0 "[ .]" 1
99 1 18 ASN H 1 18 ASN QB 3.000 . 3.000 2.305 2.228 2.366 . 0 0 "[ .]" 1
100 1 18 ASN QB 1 19 VAL H 3.880 . 3.880 3.758 3.629 3.915 0.035 4 0 "[ .]" 1
101 1 18 ASN QB 1 45 TRP HH2 3.260 . 3.260 2.913 2.767 3.268 0.008 4 0 "[ .]" 1
102 1 18 ASN QB 1 45 TRP HZ2 4.230 . 4.230 3.221 2.594 4.133 . 0 0 "[ .]" 1
103 1 18 ASN QB 1 18 ASN QD 2.500 . 2.500 2.230 2.208 2.294 . 0 0 "[ .]" 1
104 1 18 ASN QD 1 45 TRP HH2 5.040 . 5.040 3.396 2.999 3.606 . 0 0 "[ .]" 1
105 1 19 VAL H 1 69 VAL H 3.260 . 3.260 3.197 3.110 3.270 0.010 3 0 "[ .]" 1
106 1 19 VAL MG2 1 79 THR HA 4.230 . 4.230 2.888 2.804 2.918 . 0 0 "[ .]" 1
107 1 20 THR HB 1 21 TYR H 3.880 . 3.880 3.962 3.953 3.975 0.095 1 0 "[ .]" 1
108 1 20 THR MG 1 69 VAL H 5.500 . 5.500 4.402 4.221 4.594 . 0 0 "[ .]" 1
109 1 20 THR MG 1 45 TRP HE1 4.230 . 4.230 3.383 3.315 3.490 . 0 0 "[ .]" 1
110 1 20 THR MG 1 45 TRP HZ2 3.260 . 3.260 3.264 3.259 3.270 0.010 3 0 "[ .]" 1
111 1 21 TYR HA 1 22 SER H 2.500 . 2.500 2.222 2.209 2.237 . 0 0 "[ .]" 1
112 1 21 TYR HH 1 82 ALA H 5.040 . 5.040 4.764 4.697 4.976 . 0 0 "[ .]" 1
113 1 21 TYR HB3 1 22 SER H 3.880 . 3.880 3.345 3.294 3.420 . 0 0 "[ .]" 1
114 1 21 TYR QE 1 82 ALA H 3.880 . 3.880 3.393 3.241 3.686 . 0 0 "[ .]" 1
115 1 21 TYR QE 1 80 PRO HD2 4.620 . 4.620 3.334 3.289 3.365 . 0 0 "[ .]" 1
116 1 21 TYR QE 1 69 VAL H 5.500 . 5.500 5.455 5.370 5.504 0.004 3 0 "[ .]" 1
117 1 21 TYR HH 1 82 ALA MB 3.260 . 3.260 3.314 3.291 3.331 0.071 4 0 "[ .]" 1
118 1 21 TYR HH 1 33 LEU QD 3.260 . 3.260 2.832 2.682 2.941 . 0 0 "[ .]" 1
119 1 21 TYR HH 1 35 LEU QD 5.500 . 5.500 4.763 4.553 5.329 . 0 0 "[ .]" 1
120 1 21 TYR HH 1 80 PRO HA 4.620 . 4.620 4.165 4.141 4.180 . 0 0 "[ .]" 1
121 1 21 TYR HH 1 80 PRO HD2 2.730 . 2.730 2.760 2.744 2.769 0.039 4 0 "[ .]" 1
122 1 21 TYR HH 1 80 PRO QG 4.230 . 4.230 1.861 1.855 1.863 0.045 5 0 "[ .]" 1
123 1 21 TYR HH 1 79 THR HA 5.500 . 5.500 4.904 4.878 4.924 . 0 0 "[ .]" 1
124 1 21 TYR HH 1 79 THR MG 2.500 . 2.500 2.580 2.555 2.595 0.095 4 0 "[ .]" 1
125 1 22 SER HA 1 66 THR HA 2.730 . 2.730 2.199 2.064 2.322 . 0 0 "[ .]" 1
126 1 22 SER H 1 22 SER QB 2.730 . 2.730 2.406 2.284 2.650 . 0 0 "[ .]" 1
127 1 22 SER H 1 23 VAL MG2 5.500 . 5.500 4.629 4.563 4.681 . 0 0 "[ .]" 1
128 1 22 SER QB 1 66 THR HA 5.500 . 5.500 4.102 3.963 4.202 . 0 0 "[ .]" 1
129 1 22 SER QB 1 23 VAL H 4.620 . 4.620 3.676 3.371 3.869 . 0 0 "[ .]" 1
130 1 22 SER HA 1 23 VAL H 2.500 . 2.500 2.188 2.186 2.190 . 0 0 "[ .]" 1
131 1 23 VAL HA 1 23 VAL MG1 2.730 . 2.730 2.411 2.369 2.459 . 0 0 "[ .]" 1
132 1 23 VAL HA 1 23 VAL MG2 2.730 . 2.730 2.255 2.190 2.323 . 0 0 "[ .]" 1
133 1 23 VAL HA 1 31 VAL QG 5.500 . 5.500 4.141 3.971 4.327 . 0 0 "[ .]" 1
134 1 23 VAL HB 1 29 TRP HE1 4.230 . 4.230 3.435 3.387 3.474 . 0 0 "[ .]" 1
135 1 23 VAL H 1 23 VAL MG2 2.730 . 2.730 2.530 2.334 2.707 . 0 0 "[ .]" 1
136 1 23 VAL MG2 1 67 PHE QD 3.880 . 3.880 3.488 3.362 3.621 . 0 0 "[ .]" 1
137 1 23 VAL MG2 1 67 PHE QE 3.880 . 3.880 3.875 3.822 3.894 0.014 5 0 "[ .]" 1
138 1 23 VAL MG2 1 65 ASN HA 5.500 . 5.500 3.750 3.611 4.006 . 0 0 "[ .]" 1
139 1 23 VAL MG2 1 29 TRP HB2 5.500 . 5.500 3.869 3.613 4.050 . 0 0 "[ .]" 1
140 1 23 VAL MG1 1 29 TRP HD1 2.730 . 2.730 2.748 2.731 2.783 0.053 2 0 "[ .]" 1
141 1 23 VAL MG2 1 29 TRP HD1 4.620 . 4.620 4.586 4.529 4.632 0.012 1 0 "[ .]" 1
142 1 23 VAL MG1 1 29 TRP HE1 4.230 . 4.230 2.885 2.744 3.124 . 0 0 "[ .]" 1
143 1 23 VAL MG2 1 29 TRP HE1 5.040 . 5.040 3.924 3.802 4.109 . 0 0 "[ .]" 1
144 1 23 VAL MG2 1 29 TRP HE3 4.230 . 4.230 2.989 2.970 3.039 . 0 0 "[ .]" 1
145 1 23 VAL MG2 1 29 TRP HH2 4.230 . 4.230 3.045 2.811 3.407 . 0 0 "[ .]" 1
146 1 23 VAL MG1 1 29 TRP HZ2 5.500 . 5.500 4.015 3.892 4.270 . 0 0 "[ .]" 1
147 1 23 VAL MG2 1 29 TRP HZ2 4.230 . 4.230 3.176 2.924 3.533 . 0 0 "[ .]" 1
148 1 23 VAL MG1 1 84 CYS HB3 5.040 . 5.040 5.062 5.046 5.073 0.033 5 0 "[ .]" 1
149 1 23 VAL MG1 1 84 CYS HB2 5.040 . 5.040 4.315 4.103 4.579 . 0 0 "[ .]" 1
150 1 23 VAL MG1 1 65 ASN QD 4.620 . 4.620 3.705 2.189 4.395 . 0 0 "[ .]" 1
151 1 23 VAL MG1 1 26 SER H 3.880 . 3.880 3.173 3.001 3.294 . 0 0 "[ .]" 1
152 1 25 GLY H 1 26 SER H 3.550 . 3.550 2.468 2.359 2.556 . 0 0 "[ .]" 1
153 1 26 SER HA 1 28 ALA H 5.040 . 5.040 4.463 4.424 4.497 . 0 0 "[ .]" 1
154 1 26 SER QB 1 28 ALA H 4.620 . 4.620 3.408 3.342 3.471 . 0 0 "[ .]" 1
155 1 27 SER HA 1 28 ALA H 3.880 . 3.880 3.561 3.557 3.566 . 0 0 "[ .]" 1
156 1 27 SER H 1 28 ALA H 3.000 . 3.000 2.233 2.208 2.266 . 0 0 "[ .]" 1
157 1 28 ALA MB 1 87 SER H 4.620 . 4.620 4.330 4.175 4.477 . 0 0 "[ .]" 1
158 1 29 TRP HA 1 86 GLY QA 5.500 . 5.500 4.129 4.045 4.271 . 0 0 "[ .]" 1
159 1 29 TRP HA 1 87 SER H 4.620 . 4.620 3.799 3.536 3.994 . 0 0 "[ .]" 1
160 1 29 TRP HA 1 30 THR H 2.500 . 2.500 2.500 2.443 2.519 0.019 5 0 "[ .]" 1
161 1 29 TRP HA 1 29 TRP HB2 2.730 . 2.730 2.538 2.529 2.555 . 0 0 "[ .]" 1
162 1 29 TRP HB2 1 30 THR H 3.000 . 3.000 2.315 2.257 2.477 . 0 0 "[ .]" 1
163 1 29 TRP HB2 1 31 VAL QG 3.880 . 3.880 3.562 3.429 3.636 . 0 0 "[ .]" 1
164 1 29 TRP HE1 1 65 ASN HA 2.730 . 2.730 2.333 2.081 2.533 . 0 0 "[ .]" 1
165 1 29 TRP HE1 1 65 ASN HB3 4.620 . 4.620 3.527 3.367 3.795 . 0 0 "[ .]" 1
166 1 29 TRP HE1 1 65 ASN QD 4.230 . 4.230 3.136 2.534 4.200 . 0 0 "[ .]" 1
167 1 29 TRP HE1 1 60 PRO HB3 4.620 . 4.620 2.738 2.356 3.163 . 0 0 "[ .]" 1
168 1 29 TRP HE1 1 60 PRO HG3 5.040 . 5.040 4.123 3.146 5.035 . 0 0 "[ .]" 1
169 1 29 TRP HE3 1 30 THR H 3.880 . 3.880 2.963 2.904 3.056 . 0 0 "[ .]" 1
170 1 29 TRP HE3 1 31 VAL HB 3.550 . 3.550 3.568 3.558 3.576 0.026 4 0 "[ .]" 1
171 1 29 TRP HE3 1 31 VAL H 3.260 . 3.260 2.452 2.246 2.640 . 0 0 "[ .]" 1
172 1 29 TRP HE3 1 58 VAL HB 5.040 . 5.040 4.986 4.898 5.046 0.006 5 0 "[ .]" 1
173 1 29 TRP HE3 1 58 VAL MG1 4.230 . 4.230 4.239 4.234 4.246 0.016 1 0 "[ .]" 1
174 1 29 TRP HB2 1 29 TRP HE3 3.260 . 3.260 2.680 2.671 2.699 . 0 0 "[ .]" 1
175 1 29 TRP HH2 1 47 ALA MB 2.730 . 2.730 2.746 2.732 2.751 0.021 2 0 "[ .]" 1
176 1 29 TRP HH2 1 67 PHE HB3 4.620 . 4.620 3.051 2.872 3.214 . 0 0 "[ .]" 1
177 1 29 TRP HH2 1 65 ASN HA 5.040 . 5.040 4.269 4.216 4.355 . 0 0 "[ .]" 1
178 1 29 TRP HH2 1 60 PRO HA 3.880 . 3.880 3.881 3.870 3.886 0.006 5 0 "[ .]" 1
179 1 29 TRP HH2 1 58 VAL HB 5.500 . 5.500 4.791 4.720 4.887 . 0 0 "[ .]" 1
180 1 29 TRP HH2 1 58 VAL MG1 2.730 . 2.730 2.571 2.503 2.673 . 0 0 "[ .]" 1
181 1 29 TRP HH2 1 58 VAL MG2 5.500 . 5.500 4.996 4.946 5.027 . 0 0 "[ .]" 1
182 1 29 TRP HZ2 1 47 ALA MB 4.230 . 4.230 3.658 3.578 3.788 . 0 0 "[ .]" 1
183 1 29 TRP HZ2 1 66 THR HA 5.500 . 5.500 4.627 4.443 4.757 . 0 0 "[ .]" 1
184 1 29 TRP HZ2 1 58 VAL MG1 5.500 . 5.500 4.554 4.485 4.651 . 0 0 "[ .]" 1
185 1 29 TRP HZ3 1 47 ALA MB 4.230 . 4.230 4.208 4.166 4.233 0.003 5 0 "[ .]" 1
186 1 30 THR HA 1 31 VAL H 2.500 . 2.500 2.190 2.180 2.202 . 0 0 "[ .]" 1
187 1 30 THR HA 1 31 VAL QG 4.620 . 4.620 3.872 3.784 3.949 . 0 0 "[ .]" 1
188 1 30 THR HB 1 31 VAL H 5.500 . 5.500 4.314 4.128 4.452 . 0 0 "[ .]" 1
189 1 30 THR H 1 84 CYS HB3 5.500 . 5.500 5.216 4.960 5.516 0.016 5 0 "[ .]" 1
190 1 30 THR H 1 31 VAL H 5.500 . 5.500 4.027 3.910 4.155 . 0 0 "[ .]" 1
191 1 31 VAL HA 1 32 ASN H 2.500 . 2.500 2.235 2.213 2.269 . 0 0 "[ .]" 1
192 1 31 VAL HA 1 32 ASN QB 5.500 . 5.500 4.189 4.147 4.232 . 0 0 "[ .]" 1
193 1 31 VAL HB 1 32 ASN H 5.040 . 5.040 4.506 4.467 4.536 . 0 0 "[ .]" 1
194 1 31 VAL HB 1 58 VAL H 4.620 . 4.620 4.429 4.347 4.520 . 0 0 "[ .]" 1
195 1 31 VAL HB 1 58 VAL MG1 3.550 . 3.550 2.637 2.454 2.825 . 0 0 "[ .]" 1
196 1 31 VAL HB 1 58 VAL MG2 3.880 . 3.880 3.508 3.345 3.652 . 0 0 "[ .]" 1
197 1 31 VAL H 1 32 ASN H 5.500 . 5.500 4.227 4.198 4.271 . 0 0 "[ .]" 1
198 1 31 VAL H 1 59 THR HA 5.500 . 5.500 3.898 3.706 4.041 . 0 0 "[ .]" 1
199 1 31 VAL H 1 31 VAL HB 2.730 . 2.730 2.387 2.340 2.453 . 0 0 "[ .]" 1
200 1 31 VAL H 1 31 VAL QG 3.260 . 3.260 2.622 2.540 2.718 . 0 0 "[ .]" 1
201 1 31 VAL H 1 58 VAL HB 3.550 . 3.550 2.856 2.746 2.909 . 0 0 "[ .]" 1
202 1 31 VAL H 1 58 VAL MG1 5.500 . 5.500 3.152 3.101 3.212 . 0 0 "[ .]" 1
203 1 31 VAL H 1 58 VAL MG2 5.040 . 5.040 4.462 4.365 4.513 . 0 0 "[ .]" 1
204 1 31 VAL QG 1 84 CYS HB2 3.260 . 3.260 2.867 2.496 3.026 . 0 0 "[ .]" 1
205 1 31 VAL QG 1 58 VAL HB 3.880 . 3.880 3.061 2.951 3.214 . 0 0 "[ .]" 1
206 1 31 VAL QG 1 58 VAL H 4.620 . 4.620 4.329 4.246 4.396 . 0 0 "[ .]" 1
207 1 32 ASN HA 1 32 ASN QB 2.500 . 2.500 2.477 2.393 2.545 0.045 4 0 "[ .]" 1
208 1 32 ASN HA 1 57 THR HA 3.260 . 3.260 2.695 2.571 2.754 . 0 0 "[ .]" 1
209 1 32 ASN HA 1 83 THR H 5.040 . 5.040 4.763 4.694 4.827 . 0 0 "[ .]" 1
210 1 32 ASN HA 1 58 VAL H 4.230 . 4.230 2.906 2.821 2.970 . 0 0 "[ .]" 1
211 1 32 ASN HA 1 58 VAL MG2 5.040 . 5.040 4.005 3.889 4.096 . 0 0 "[ .]" 1
212 1 32 ASN H 1 32 ASN QB 2.500 . 2.500 2.205 2.085 2.305 . 0 0 "[ .]" 1
213 1 32 ASN H 1 83 THR H 3.550 . 3.550 2.965 2.836 3.055 . 0 0 "[ .]" 1
214 1 32 ASN QB 1 33 LEU H 4.620 . 4.620 3.849 3.769 3.966 . 0 0 "[ .]" 1
215 1 32 ASN QB 1 83 THR H 3.880 . 3.880 3.238 3.024 3.389 . 0 0 "[ .]" 1
216 1 32 ASN HA 1 32 ASN QD 4.230 . 4.230 3.327 2.863 3.667 . 0 0 "[ .]" 1
217 1 32 ASN QB 1 32 ASN QD 3.260 . 3.260 2.294 2.193 2.406 . 0 0 "[ .]" 1
218 1 33 LEU HA 1 34 ALA H 2.500 . 2.500 2.245 2.187 2.269 . 0 0 "[ .]" 1
219 1 33 LEU HA 1 81 ALA MB 5.040 . 5.040 4.767 4.126 4.972 . 0 0 "[ .]" 1
220 1 33 LEU HB3 1 33 LEU QD 2.730 . 2.730 2.090 2.047 2.140 . 0 0 "[ .]" 1
221 1 33 LEU QD 1 34 ALA H 4.230 . 4.230 2.777 2.438 3.892 . 0 0 "[ .]" 1
222 1 33 LEU QD 1 82 ALA MB 2.730 . 2.730 2.170 1.958 2.696 . 0 0 "[ .]" 1
223 1 33 LEU QD 1 80 PRO QB 4.230 . 4.230 2.595 2.467 2.748 . 0 0 "[ .]" 1
224 1 33 LEU QD 1 82 ALA HA 5.500 . 5.500 3.194 2.977 3.756 . 0 0 "[ .]" 1
225 1 34 ALA HA 1 35 LEU QD 4.620 . 4.620 3.473 3.203 3.936 . 0 0 "[ .]" 1
226 1 34 ALA HA 1 55 THR HA 3.260 . 3.260 2.250 2.074 2.395 . 0 0 "[ .]" 1
227 1 34 ALA H 1 34 ALA MB 2.500 . 2.500 2.489 2.457 2.509 0.009 2 0 "[ .]" 1
228 1 34 ALA H 1 81 ALA H 4.230 . 4.230 2.954 2.637 3.092 . 0 0 "[ .]" 1
229 1 34 ALA H 1 81 ALA MB 4.230 . 4.230 3.523 2.739 3.764 . 0 0 "[ .]" 1
230 1 34 ALA H 1 82 ALA HA 4.230 . 4.230 3.767 3.739 3.787 . 0 0 "[ .]" 1
231 1 34 ALA H 1 82 ALA MB 4.620 . 4.620 4.240 4.161 4.346 . 0 0 "[ .]" 1
232 1 34 ALA H 1 35 LEU MD1 4.620 . 4.620 4.633 4.624 4.638 0.018 3 0 "[ .]" 1
233 1 34 ALA MB 1 81 ALA H 3.000 . 3.000 2.943 2.888 3.018 0.018 5 0 "[ .]" 1
234 1 35 LEU H 1 55 THR HA 3.260 . 3.260 3.064 2.881 3.243 . 0 0 "[ .]" 1
235 1 35 LEU QD 1 36 ASN H 3.880 . 3.880 2.750 2.544 3.259 . 0 0 "[ .]" 1
236 1 35 LEU QD 1 80 PRO QB 2.730 . 2.730 2.068 1.893 2.756 0.026 5 0 "[ .]" 1
237 1 35 LEU QD 1 39 GLN H 5.500 . 5.500 4.745 4.279 5.090 . 0 0 "[ .]" 1
238 1 35 LEU QD 1 55 THR HA 4.620 . 4.620 3.539 3.299 3.900 . 0 0 "[ .]" 1
239 1 35 LEU QD 1 41 ILE H 4.230 . 4.230 4.012 3.695 4.236 0.006 2 0 "[ .]" 1
240 1 36 ASN H 1 36 ASN QD 3.000 . 3.000 2.590 2.076 3.002 0.002 4 0 "[ .]" 1
241 1 36 ASN H 1 80 PRO QB 5.040 . 5.040 3.655 3.518 3.793 . 0 0 "[ .]" 1
242 1 36 ASN HB3 1 37 GLY H 3.550 . 3.550 2.924 2.726 3.044 . 0 0 "[ .]" 1
243 1 36 ASN HB2 1 39 GLN QE 4.230 . 4.230 3.179 2.916 3.910 . 0 0 "[ .]" 1
244 1 36 ASN QD 1 81 ALA H 4.230 . 4.230 4.242 4.215 4.267 0.037 4 0 "[ .]" 1
245 1 36 ASN HA 1 36 ASN QD 5.500 . 5.500 4.030 3.849 4.135 . 0 0 "[ .]" 1
246 1 36 ASN HB2 1 36 ASN QD 2.500 . 2.500 2.277 2.231 2.380 . 0 0 "[ .]" 1
247 1 36 ASN QD 1 80 PRO QG 4.620 . 4.620 4.158 4.086 4.287 . 0 0 "[ .]" 1
248 1 36 ASN QD 1 39 GLN QE 3.880 . 3.880 2.093 1.884 2.621 0.016 3 0 "[ .]" 1
249 1 37 GLY H 1 38 SER H 5.040 . 5.040 4.666 4.596 4.694 . 0 0 "[ .]" 1
250 1 38 SER HA 1 39 GLN H 4.230 . 4.230 3.128 2.972 3.242 . 0 0 "[ .]" 1
251 1 38 SER H 1 39 GLN H 2.730 . 2.730 2.667 2.611 2.732 0.002 3 0 "[ .]" 1
252 1 38 SER H 1 39 GLN QG 5.500 . 5.500 3.927 3.703 4.080 . 0 0 "[ .]" 1
253 1 38 SER H 1 38 SER QB 2.730 . 2.730 2.439 2.273 2.732 0.002 4 0 "[ .]" 1
254 1 39 GLN HA 1 39 GLN QG 2.730 . 2.730 2.215 2.171 2.293 . 0 0 "[ .]" 1
255 1 39 GLN H 1 39 GLN HB2 2.500 . 2.500 2.447 2.386 2.513 0.013 4 0 "[ .]" 1
256 1 39 GLN H 1 39 GLN QG 2.500 . 2.500 2.345 2.131 2.502 0.002 2 0 "[ .]" 1
257 1 39 GLN H 1 71 VAL MG1 5.500 . 5.500 5.285 5.180 5.438 . 0 0 "[ .]" 1
258 1 39 GLN QE 1 39 GLN QG 3.260 . 3.260 2.237 2.179 2.308 . 0 0 "[ .]" 1
259 1 39 GLN QE 1 80 PRO QG 5.500 . 5.500 5.108 4.938 5.283 . 0 0 "[ .]" 1
260 1 39 GLN QE 1 76 SER H 5.040 . 5.040 4.371 3.972 4.761 . 0 0 "[ .]" 1
261 1 40 THR H 1 74 ASN QD 3.880 . 3.880 3.861 3.845 3.885 0.005 2 0 "[ .]" 1
262 1 40 THR H 1 71 VAL MG2 5.500 . 5.500 5.393 5.006 5.510 0.010 4 0 "[ .]" 1
263 1 40 THR MG 1 74 ASN H 5.500 . 5.500 5.515 5.510 5.517 0.017 1 0 "[ .]" 1
264 1 40 THR MG 1 74 ASN QD 2.500 . 2.500 1.907 1.894 1.919 0.006 2 0 "[ .]" 1
265 1 41 ILE HA 1 41 ILE MD 3.000 . 3.000 1.934 1.888 1.978 0.012 2 0 "[ .]" 1
266 1 41 ILE HA 1 41 ILE MG 2.730 . 2.730 2.453 2.439 2.474 . 0 0 "[ .]" 1
267 1 41 ILE HA 1 71 VAL HA 5.040 . 5.040 3.422 3.194 3.592 . 0 0 "[ .]" 1
268 1 41 ILE HB 1 43 ALA H 5.500 . 5.500 5.253 5.194 5.325 . 0 0 "[ .]" 1
269 1 41 ILE HB 1 41 ILE MD 3.550 . 3.550 3.188 3.186 3.190 . 0 0 "[ .]" 1
270 1 41 ILE HB 1 56 ARG HE 4.230 . 4.230 2.655 1.955 3.582 . 0 0 "[ .]" 1
271 1 41 ILE H 1 41 ILE HB 2.730 . 2.730 2.392 2.372 2.410 . 0 0 "[ .]" 1
272 1 41 ILE H 1 41 ILE QG 4.230 . 4.230 2.773 2.678 2.897 . 0 0 "[ .]" 1
273 1 41 ILE H 1 41 ILE MG 4.230 . 4.230 3.746 3.740 3.752 . 0 0 "[ .]" 1
274 1 41 ILE MD 1 43 ALA H 5.500 . 5.500 3.917 3.888 3.944 . 0 0 "[ .]" 1
275 1 41 ILE MD 1 56 ARG HE 4.620 . 4.620 3.762 3.121 4.463 . 0 0 "[ .]" 1
276 1 41 ILE MD 1 69 VAL QG 3.550 . 3.550 2.120 1.907 2.472 . 0 0 "[ .]" 1
277 1 41 ILE MD 1 71 VAL HA 3.880 . 3.880 3.184 2.853 3.379 . 0 0 "[ .]" 1
278 1 41 ILE MG 1 43 ALA H 2.500 . 2.500 2.510 2.504 2.517 0.017 1 0 "[ .]" 1
279 1 41 ILE MG 1 51 GLY H 5.500 . 5.500 5.507 5.506 5.510 0.010 3 0 "[ .]" 1
280 1 41 ILE MD 1 41 ILE MG 2.500 . 2.500 1.962 1.899 2.026 0.001 5 0 "[ .]" 1
281 1 41 ILE QG 1 41 ILE MG 3.550 . 3.550 2.213 2.171 2.240 . 0 0 "[ .]" 1
282 1 41 ILE MG 1 42 GLN H 3.000 . 3.000 2.613 2.304 2.928 . 0 0 "[ .]" 1
283 1 41 ILE MG 1 56 ARG HE 5.040 . 5.040 3.448 2.474 3.992 . 0 0 "[ .]" 1
284 1 42 GLN H 1 43 ALA H . . 2.500 2.260 2.110 2.426 . 0 0 "[ .]" 1
285 1 42 GLN H 1 42 GLN QG 5.500 . 5.500 3.906 3.629 4.079 . 0 0 "[ .]" 1
286 1 42 GLN H 1 71 VAL HA 3.880 . 3.880 3.887 3.869 3.902 0.022 2 0 "[ .]" 1
287 1 42 GLN QG 1 43 ALA H 5.500 . 5.500 3.761 3.379 4.452 . 0 0 "[ .]" 1
288 1 42 GLN QE 1 72 MET ME 4.230 . 4.230 3.327 2.254 4.215 . 0 0 "[ .]" 1
289 1 42 GLN QE 1 42 GLN QG 3.880 . 3.880 2.286 2.198 2.475 . 0 0 "[ .]" 1
290 1 43 ALA H 1 43 ALA MB 2.730 . 2.730 2.711 2.650 2.753 0.023 1 0 "[ .]" 1
291 1 43 ALA H 1 44 SER H 5.040 . 5.040 4.407 4.395 4.428 . 0 0 "[ .]" 1
292 1 43 ALA H 1 44 SER QB 5.500 . 5.500 4.810 4.403 5.330 . 0 0 "[ .]" 1
293 1 43 ALA H 1 70 THR HB 2.730 . 2.730 2.478 2.313 2.623 . 0 0 "[ .]" 1
294 1 43 ALA H 1 70 THR H 3.260 . 3.260 2.395 2.233 2.499 . 0 0 "[ .]" 1
295 1 43 ALA H 1 70 THR MG 4.230 . 4.230 3.910 3.811 3.998 . 0 0 "[ .]" 1
296 1 43 ALA H 1 69 VAL QG 5.500 . 5.500 4.150 4.108 4.261 . 0 0 "[ .]" 1
297 1 43 ALA H 1 71 VAL HA 5.500 . 5.500 5.475 5.386 5.514 0.014 3 0 "[ .]" 1
298 1 43 ALA MB 1 70 THR HB 2.730 . 2.730 2.733 2.724 2.737 0.007 2 0 "[ .]" 1
299 1 43 ALA MB 1 70 THR HG1 5.500 . 5.500 3.116 2.474 3.987 . 0 0 "[ .]" 1
300 1 43 ALA MB 1 45 TRP HH2 5.500 . 5.500 4.329 4.044 4.673 . 0 0 "[ .]" 1
301 1 44 SER HA 1 44 SER QB 2.730 . 2.730 2.249 2.193 2.328 . 0 0 "[ .]" 1
302 1 44 SER HA 1 69 VAL HA 3.880 . 3.880 1.969 1.894 2.067 0.006 1 0 "[ .]" 1
303 1 44 SER HA 1 69 VAL QG 3.550 . 3.550 1.937 1.900 2.023 0.000 4 0 "[ .]" 1
304 1 44 SER QB 1 49 VAL QG 2.500 . 2.500 1.995 1.893 2.242 0.007 1 0 "[ .]" 1
305 1 45 TRP HA 1 46 ASN H 2.500 . 2.500 2.478 2.444 2.511 0.011 4 0 "[ .]" 1
306 1 45 TRP HA 1 45 TRP HB2 2.730 . 2.730 2.534 2.513 2.548 . 0 0 "[ .]" 1
307 1 45 TRP H 1 47 ALA H 5.500 . 5.500 3.973 3.911 4.034 . 0 0 "[ .]" 1
308 1 45 TRP H 1 68 GLY H 3.260 . 3.260 2.636 2.567 2.760 . 0 0 "[ .]" 1
309 1 45 TRP HB2 1 46 ASN H 3.260 . 3.260 2.377 2.304 2.458 . 0 0 "[ .]" 1
310 1 45 TRP HE1 1 67 PHE HA 5.500 . 5.500 4.554 4.347 4.717 . 0 0 "[ .]" 1
311 1 45 TRP HE1 1 68 GLY H 5.040 . 5.040 3.600 3.409 3.765 . 0 0 "[ .]" 1
312 1 45 TRP HE1 1 68 GLY HA2 3.260 . 3.260 2.317 2.190 2.419 . 0 0 "[ .]" 1
313 1 45 TRP HH2 1 68 GLY HA2 5.500 . 5.500 4.463 4.281 4.686 . 0 0 "[ .]" 1
314 1 45 TRP HH2 1 70 THR HG1 4.620 . 4.620 3.311 2.869 4.172 . 0 0 "[ .]" 1
315 1 45 TRP HH2 1 69 VAL H 5.500 . 5.500 4.482 4.295 4.637 . 0 0 "[ .]" 1
316 1 45 TRP HZ2 1 68 GLY HA2 3.260 . 3.260 2.596 2.389 2.730 . 0 0 "[ .]" 1
317 1 45 TRP HZ2 1 69 VAL H 5.500 . 5.500 4.208 4.117 4.318 . 0 0 "[ .]" 1
318 1 46 ASN HA 1 61 ASN QD 3.550 . 3.550 3.149 2.480 3.536 . 0 0 "[ .]" 1
319 1 46 ASN H 1 61 ASN QD 4.620 . 4.620 3.879 3.271 4.450 . 0 0 "[ .]" 1
320 1 46 ASN QD 1 67 PHE HA 3.880 . 3.880 3.274 2.989 3.559 . 0 0 "[ .]" 1
321 1 47 ALA HA 1 61 ASN H 3.260 . 3.260 3.014 2.762 3.227 . 0 0 "[ .]" 1
322 1 47 ALA H 1 47 ALA MB 2.730 . 2.730 2.832 2.815 2.840 0.110 5 0 "[ .]" 1
323 1 47 ALA H 1 67 PHE HB2 5.500 . 5.500 3.983 3.870 4.131 . 0 0 "[ .]" 1
324 1 47 ALA H 1 49 VAL QG 5.500 . 5.500 4.421 3.988 4.639 . 0 0 "[ .]" 1
325 1 47 ALA MB 1 67 PHE HA 4.620 . 4.620 3.363 3.173 3.550 . 0 0 "[ .]" 1
326 1 47 ALA MB 1 67 PHE HB3 2.730 . 2.730 1.884 1.878 1.889 0.022 4 0 "[ .]" 1
327 1 47 ALA MB 1 67 PHE QD 3.260 . 3.260 3.156 3.099 3.233 . 0 0 "[ .]" 1
328 1 47 ALA MB 1 68 GLY H 5.040 . 5.040 4.098 3.800 4.341 . 0 0 "[ .]" 1
329 1 47 ALA MB 1 48 ASN HB2 5.500 . 5.500 4.583 4.333 4.692 . 0 0 "[ .]" 1
330 1 47 ALA MB 1 61 ASN H 5.500 . 5.500 3.632 3.302 3.948 . 0 0 "[ .]" 1
331 1 47 ALA MB 1 58 VAL MG1 2.500 . 2.500 1.916 1.892 1.989 0.008 1 0 "[ .]" 1
332 1 48 ASN HA 1 58 VAL MG1 5.500 . 5.500 5.057 4.840 5.203 . 0 0 "[ .]" 1
333 1 48 ASN H 1 48 ASN HB2 3.000 . 3.000 2.433 2.273 2.565 . 0 0 "[ .]" 1
334 1 48 ASN H 1 58 VAL MG1 4.230 . 4.230 3.743 3.055 3.993 . 0 0 "[ .]" 1
335 1 49 VAL HA 1 58 VAL HA 3.880 . 3.880 2.203 2.095 2.422 . 0 0 "[ .]" 1
336 1 49 VAL HA 1 58 VAL MG1 3.880 . 3.880 3.724 3.641 3.803 . 0 0 "[ .]" 1
337 1 49 VAL HA 1 58 VAL MG2 3.260 . 3.260 2.818 2.452 3.094 . 0 0 "[ .]" 1
338 1 49 VAL QG 1 56 ARG QD 3.550 . 3.550 2.908 2.385 3.552 0.002 4 0 "[ .]" 1
339 1 49 VAL QG 1 58 VAL MG1 4.620 . 4.620 2.618 2.108 3.221 . 0 0 "[ .]" 1
340 1 50 THR MG 1 51 GLY H 3.550 . 3.550 3.444 3.258 3.552 0.002 2 0 "[ .]" 1
341 1 51 GLY H 1 51 GLY QA 2.730 . 2.730 2.485 2.307 2.535 . 0 0 "[ .]" 1
342 1 52 SER H 1 53 GLY H 4.230 . 4.230 2.903 2.330 4.118 . 0 0 "[ .]" 1
343 1 52 SER H 1 56 ARG HA 5.500 . 5.500 4.177 3.964 4.402 . 0 0 "[ .]" 1
344 1 52 SER H 1 56 ARG QD 4.620 . 4.620 4.093 3.652 4.516 . 0 0 "[ .]" 1
345 1 52 SER H 1 52 SER HA 2.730 . 2.730 2.864 2.863 2.864 0.134 4 0 "[ .]" 1
346 1 53 GLY H 1 53 GLY QA 2.500 . 2.500 2.435 2.277 2.525 0.025 1 0 "[ .]" 1
347 1 55 THR HA 1 56 ARG H 2.500 . 2.500 2.378 2.269 2.527 0.027 2 0 "[ .]" 1
348 1 55 THR HB 1 56 ARG H 3.000 . 3.000 2.696 2.325 2.995 . 0 0 "[ .]" 1
349 1 55 THR H 1 55 THR HA 2.730 . 2.730 2.897 2.896 2.898 0.168 5 0 "[ .]" 1
350 1 56 ARG HA 1 57 THR H 2.500 . 2.500 2.332 2.215 2.487 . 0 0 "[ .]" 1
351 1 56 ARG H 1 56 ARG QD 5.500 . 5.500 4.482 3.579 4.783 . 0 0 "[ .]" 1
352 1 56 ARG HB3 1 58 VAL MG2 5.500 . 5.500 3.911 3.745 4.224 . 0 0 "[ .]" 1
353 1 56 ARG HB3 1 57 THR H 3.260 . 3.260 2.872 2.391 3.266 0.006 1 0 "[ .]" 1
354 1 56 ARG HB3 1 56 ARG QD 4.230 . 4.230 2.355 2.017 3.027 . 0 0 "[ .]" 1
355 1 56 ARG QD 1 57 THR H 5.040 . 5.040 4.504 4.207 4.944 . 0 0 "[ .]" 1
356 1 56 ARG QD 1 56 ARG HE 2.500 . 2.500 2.443 2.270 2.531 0.031 4 0 "[ .]" 1
357 1 57 THR HA 1 58 VAL H 2.500 . 2.500 2.192 2.189 2.195 . 0 0 "[ .]" 1
358 1 57 THR HA 1 58 VAL MG2 3.880 . 3.880 3.873 3.842 3.899 0.019 1 0 "[ .]" 1
359 1 57 THR HB 1 58 VAL H 5.500 . 5.500 4.297 4.220 4.367 . 0 0 "[ .]" 1
360 1 57 THR H 1 57 THR HB 2.730 . 2.730 2.530 2.422 2.602 . 0 0 "[ .]" 1
361 1 57 THR H 1 57 THR MG 4.230 . 4.230 3.801 3.761 3.847 . 0 0 "[ .]" 1
362 1 57 THR H 1 58 VAL MG2 5.500 . 5.500 4.504 4.256 4.733 . 0 0 "[ .]" 1
363 1 57 THR MG 1 58 VAL HA 5.500 . 5.500 3.871 3.778 4.072 . 0 0 "[ .]" 1
364 1 57 THR MG 1 58 VAL H 2.730 . 2.730 2.651 2.533 2.730 0.000 5 0 "[ .]" 1
365 1 58 VAL HA 1 58 VAL MG1 2.730 . 2.730 2.358 2.343 2.402 . 0 0 "[ .]" 1
366 1 58 VAL HA 1 58 VAL MG2 2.730 . 2.730 2.263 2.219 2.305 . 0 0 "[ .]" 1
367 1 58 VAL H 1 58 VAL HB 3.000 . 3.000 2.453 2.433 2.478 . 0 0 "[ .]" 1
368 1 58 VAL H 1 58 VAL MG1 5.040 . 5.040 3.781 3.769 3.793 . 0 0 "[ .]" 1
369 1 58 VAL H 1 58 VAL MG2 2.730 . 2.730 2.733 2.731 2.736 0.006 2 0 "[ .]" 1
370 1 58 VAL MG1 1 67 PHE HB2 5.500 . 5.500 3.453 3.345 3.622 . 0 0 "[ .]" 1
371 1 58 VAL MG1 1 67 PHE QD 3.880 . 3.880 2.444 2.388 2.553 . 0 0 "[ .]" 1
372 1 58 VAL MG2 1 67 PHE QD 5.500 . 5.500 3.719 3.667 3.755 . 0 0 "[ .]" 1
373 1 58 VAL MG1 1 67 PHE QE 5.500 . 5.500 3.137 3.039 3.264 . 0 0 "[ .]" 1
374 1 58 VAL MG2 1 67 PHE QE 4.230 . 4.230 3.335 3.253 3.439 . 0 0 "[ .]" 1
375 1 58 VAL MG1 1 59 THR HA 4.230 . 4.230 3.549 3.433 3.656 . 0 0 "[ .]" 1
376 1 59 THR HB 1 60 PRO QD 2.500 . 2.500 2.096 1.914 2.376 . 0 0 "[ .]" 1
377 1 60 PRO HA 1 62 GLY H 5.500 . 5.500 3.801 3.731 3.891 . 0 0 "[ .]" 1
378 1 60 PRO HB2 1 61 ASN H 3.880 . 3.880 3.433 3.258 3.547 . 0 0 "[ .]" 1
379 1 61 ASN H 1 62 GLY H 2.730 . 2.730 2.364 2.233 2.420 . 0 0 "[ .]" 1
380 1 61 ASN H 1 63 SER H 4.230 . 4.230 3.855 3.271 4.213 . 0 0 "[ .]" 1
381 1 61 ASN QB 1 61 ASN QD 2.500 . 2.500 2.270 2.221 2.313 . 0 0 "[ .]" 1
382 1 62 GLY H 1 63 SER H 3.000 . 3.000 2.273 2.005 2.523 . 0 0 "[ .]" 1
383 1 65 ASN HA 1 65 ASN QD 5.500 . 5.500 3.160 2.191 4.067 . 0 0 "[ .]" 1
384 1 65 ASN HA 1 66 THR H 3.550 . 3.550 3.500 3.480 3.522 . 0 0 "[ .]" 1
385 1 65 ASN HB2 1 66 THR H 5.040 . 5.040 2.965 2.850 3.043 . 0 0 "[ .]" 1
386 1 65 ASN HB2 1 65 ASN QD 3.260 . 3.260 2.809 2.445 3.223 . 0 0 "[ .]" 1
387 1 66 THR HA 1 67 PHE H 2.500 . 2.500 2.199 2.196 2.203 . 0 0 "[ .]" 1
388 1 66 THR HA 1 67 PHE QD 4.620 . 4.620 4.246 4.188 4.297 . 0 0 "[ .]" 1
389 1 66 THR HA 1 66 THR MG 2.730 . 2.730 2.394 2.379 2.407 . 0 0 "[ .]" 1
390 1 66 THR H 1 67 PHE H 5.040 . 5.040 4.449 4.424 4.461 . 0 0 "[ .]" 1
391 1 66 THR H 1 66 THR MG 4.230 . 4.230 3.825 3.818 3.836 . 0 0 "[ .]" 1
392 1 67 PHE HA 1 67 PHE HB3 2.730 . 2.730 2.541 2.537 2.544 . 0 0 "[ .]" 1
393 1 67 PHE HA 1 68 GLY H 2.500 . 2.500 2.509 2.500 2.513 0.013 5 0 "[ .]" 1
394 1 67 PHE HB2 1 68 GLY H 2.730 . 2.730 2.397 2.380 2.414 . 0 0 "[ .]" 1
395 1 68 GLY H 1 69 VAL H 5.500 . 5.500 4.194 4.184 4.207 . 0 0 "[ .]" 1
396 1 68 GLY HA3 1 69 VAL H 2.730 . 2.730 2.209 2.206 2.217 . 0 0 "[ .]" 1
397 1 69 VAL QG 1 71 VAL H 5.040 . 5.040 3.921 3.537 4.312 . 0 0 "[ .]" 1
398 1 70 THR HA 1 71 VAL H 2.730 . 2.730 2.211 2.203 2.229 . 0 0 "[ .]" 1
399 1 70 THR HA 1 70 THR HG1 4.230 . 4.230 2.839 2.477 3.300 . 0 0 "[ .]" 1
400 1 70 THR HG1 1 70 THR MG 3.260 . 3.260 2.662 2.088 3.038 . 0 0 "[ .]" 1
401 1 71 VAL H 1 72 MET H 5.500 . 5.500 4.393 4.268 4.543 . 0 0 "[ .]" 1
402 1 71 VAL MG1 1 73 LYS H 5.040 . 5.040 4.021 3.476 4.459 . 0 0 "[ .]" 1
403 1 71 VAL MG1 1 72 MET HA 5.040 . 5.040 4.300 4.014 4.487 . 0 0 "[ .]" 1
404 1 71 VAL MG1 1 72 MET H 3.000 . 3.000 2.827 2.561 3.013 0.013 1 0 "[ .]" 1
405 1 72 MET HA 1 73 LYS H 2.500 . 2.500 2.237 2.200 2.257 . 0 0 "[ .]" 1
406 1 72 MET H 1 73 LYS H 5.500 . 5.500 4.275 4.172 4.402 . 0 0 "[ .]" 1
407 1 72 MET QB 1 73 LYS H 3.880 . 3.880 3.714 3.616 3.770 . 0 0 "[ .]" 1
408 1 72 MET QB 1 74 ASN QD 3.260 . 3.260 2.730 2.337 2.996 . 0 0 "[ .]" 1
409 1 72 MET ME 1 73 LYS H 5.500 . 5.500 3.795 3.459 4.554 . 0 0 "[ .]" 1
410 1 72 MET ME 1 74 ASN QD 5.500 . 5.500 5.188 4.863 5.365 . 0 0 "[ .]" 1
411 1 72 MET QG 1 73 LYS H 5.040 . 5.040 4.279 4.147 4.333 . 0 0 "[ .]" 1
412 1 72 MET QG 1 74 ASN H 5.040 . 5.040 4.977 4.625 5.082 0.042 2 0 "[ .]" 1
413 1 72 MET QG 1 74 ASN QD 5.500 . 5.500 3.906 3.304 4.274 . 0 0 "[ .]" 1
414 1 73 LYS H 1 74 ASN H 3.000 . 3.000 3.014 3.003 3.030 0.030 2 0 "[ .]" 1
415 1 74 ASN HA 1 75 GLY H 2.730 . 2.730 2.771 2.757 2.785 0.055 3 0 "[ .]" 1
416 1 74 ASN HA 1 76 SER H 5.500 . 5.500 4.566 4.440 4.865 . 0 0 "[ .]" 1
417 1 74 ASN H 1 75 GLY H 3.260 . 3.260 2.962 2.942 2.996 . 0 0 "[ .]" 1
418 1 74 ASN H 1 74 ASN HA 2.730 . 2.730 2.361 2.360 2.364 . 0 0 "[ .]" 1
419 1 74 ASN H 1 74 ASN QD 4.620 . 4.620 4.499 4.322 4.619 . 0 0 "[ .]" 1
420 1 74 ASN HB3 1 74 ASN QD 3.000 . 3.000 2.524 2.404 2.727 . 0 0 "[ .]" 1
421 1 75 GLY H 1 75 GLY QA 2.500 . 2.500 2.309 2.270 2.409 . 0 0 "[ .]" 1
422 1 78 THR H 1 79 THR H 5.040 . 5.040 4.592 4.572 4.604 . 0 0 "[ .]" 1
423 1 81 ALA MB 1 82 ALA HA 5.500 . 5.500 3.945 3.882 3.972 . 0 0 "[ .]" 1
424 1 82 ALA HA 1 83 THR H 2.500 . 2.500 2.185 2.179 2.190 . 0 0 "[ .]" 1
425 1 82 ALA HA 1 83 THR MG 5.040 . 5.040 4.243 4.235 4.254 . 0 0 "[ .]" 1
426 1 82 ALA MB 1 83 THR HA 4.230 . 4.230 4.066 4.033 4.091 . 0 0 "[ .]" 1
427 1 82 ALA MB 1 83 THR H 3.000 . 3.000 3.053 3.047 3.058 0.058 3 0 "[ .]" 1
428 1 83 THR HA 1 84 CYS H 2.500 . 2.500 2.354 2.343 2.367 . 0 0 "[ .]" 1
429 1 83 THR HB 1 84 CYS H 2.730 . 2.730 2.751 2.740 2.768 0.038 5 0 "[ .]" 1
430 1 83 THR H 1 84 CYS H 5.500 . 5.500 4.489 4.465 4.504 . 0 0 "[ .]" 1
431 1 83 THR H 1 83 THR HA 3.000 . 3.000 2.992 2.988 2.995 . 0 0 "[ .]" 1
432 1 83 THR H 1 83 THR HB 4.230 . 4.230 3.652 3.634 3.681 . 0 0 "[ .]" 1
433 1 83 THR H 1 83 THR MG 3.880 . 3.880 3.371 3.339 3.417 . 0 0 "[ .]" 1
434 1 84 CYS HA 1 85 ALA H 2.500 . 2.500 2.310 2.215 2.407 . 0 0 "[ .]" 1
435 1 84 CYS HA 1 85 ALA MB 4.230 . 4.230 3.882 3.826 3.984 . 0 0 "[ .]" 1
436 1 84 CYS H 1 84 CYS HB2 3.000 . 3.000 3.038 3.024 3.054 0.054 1 0 "[ .]" 1
437 1 84 CYS H 1 84 CYS HB3 3.000 . 3.000 2.683 2.531 2.807 . 0 0 "[ .]" 1
438 1 84 CYS HB2 1 85 ALA H 4.230 . 4.230 4.058 3.937 4.237 0.007 4 0 "[ .]" 1
439 1 85 ALA H 1 85 ALA MB 2.730 . 2.730 2.646 2.454 2.726 . 0 0 "[ .]" 1
440 1 86 GLY QA 1 87 SER H 2.730 . 2.730 2.169 2.161 2.177 . 0 0 "[ .]" 1
441 1 87 SER H 1 87 SER QB 4.230 . 4.230 2.773 2.340 3.135 . 0 0 "[ .]" 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 51
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 15.221
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0119
_Distance_constraint_stats_list.Viol_average_violations_only 0.0525
_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 1 THR 0.006 0.004 1 0 "[ .]"
1 2 GLY 0.100 0.032 2 0 "[ .]"
1 3 CYS 0.069 0.032 2 0 "[ .]"
1 4 SER 0.006 0.005 2 0 "[ .]"
1 5 VAL 0.497 0.115 3 0 "[ .]"
1 6 THR 2.597 0.186 4 0 "[ .]"
1 7 ALA 0.892 0.186 4 0 "[ .]"
1 8 THR 0.045 0.015 1 0 "[ .]"
1 9 ARG 0.058 0.017 1 0 "[ .]"
1 10 ALA 0.238 0.044 1 0 "[ .]"
1 11 GLU 0.044 0.017 1 0 "[ .]"
1 17 PHE 0.000 0.000 . 0 "[ .]"
1 18 ASN 0.000 0.000 . 0 "[ .]"
1 19 VAL 0.159 0.044 1 0 "[ .]"
1 20 THR 0.000 0.000 . 0 "[ .]"
1 21 TYR 0.047 0.023 5 0 "[ .]"
1 22 SER 0.000 0.000 . 0 "[ .]"
1 23 VAL 0.000 0.000 . 0 "[ .]"
1 24 SER 0.006 0.005 2 0 "[ .]"
1 25 GLY 0.035 0.009 3 0 "[ .]"
1 86 GLY 0.000 0.000 . 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 2 GLY H 2.730 . 2.730 2.421 2.190 2.729 . 0 0 "[ .]" 2
2 1 1 THR MG 1 2 GLY H 4.230 . 4.230 3.861 3.286 4.234 0.004 1 0 "[ .]" 2
3 1 2 GLY H 1 2 GLY QA 2.500 . 2.500 2.441 2.293 2.529 0.029 1 0 "[ .]" 2
4 1 2 GLY H 1 3 CYS HA 5.040 . 5.040 4.827 4.235 5.072 0.032 2 0 "[ .]" 2
5 1 2 GLY QA 1 86 GLY H 4.230 . 4.230 3.258 2.815 3.851 . 0 0 "[ .]" 2
6 1 3 CYS HB2 1 24 SER H 5.500 . 5.500 4.000 3.563 4.847 . 0 0 "[ .]" 2
7 1 3 CYS HA 1 25 GLY H 5.500 . 5.500 5.507 5.506 5.509 0.009 3 0 "[ .]" 2
8 1 4 SER H 1 4 SER QB 3.000 . 3.000 2.513 2.306 2.820 . 0 0 "[ .]" 2
9 1 4 SER H 1 24 SER H 3.260 . 3.260 3.181 3.094 3.265 0.005 2 0 "[ .]" 2
10 1 4 SER H 1 25 GLY QA 5.500 . 5.500 2.981 2.804 3.394 . 0 0 "[ .]" 2
11 1 4 SER QB 1 5 VAL H 5.500 . 5.500 3.920 3.823 4.044 . 0 0 "[ .]" 2
12 1 5 VAL HB 1 6 THR H 3.880 . 3.880 3.979 3.941 3.995 0.115 3 0 "[ .]" 2
13 1 5 VAL QG 1 7 ALA H 4.620 . 4.620 4.490 4.423 4.551 . 0 0 "[ .]" 2
14 1 6 THR H 1 6 THR HB 3.260 . 3.260 3.378 3.366 3.389 0.129 2 0 "[ .]" 2
15 1 6 THR H 1 6 THR MG 3.550 . 3.550 3.665 3.656 3.673 0.123 2 0 "[ .]" 2
16 1 6 THR H 1 24 SER H 5.040 . 5.040 4.873 4.808 4.969 . 0 0 "[ .]" 2
17 1 6 THR H 1 7 ALA H 4.230 . 4.230 4.408 4.399 4.416 0.186 4 0 "[ .]" 2
18 1 6 THR H 1 21 TYR HA 4.230 . 4.230 4.235 4.211 4.253 0.023 5 0 "[ .]" 2
19 1 6 THR H 1 7 ALA HA 5.500 . 5.500 4.732 4.715 4.754 . 0 0 "[ .]" 2
20 1 6 THR H 1 23 VAL HA 4.230 . 4.230 3.278 3.244 3.319 . 0 0 "[ .]" 2
21 1 6 THR H 1 23 VAL MG2 5.040 . 5.040 3.649 3.372 3.886 . 0 0 "[ .]" 2
22 1 6 THR HA 1 7 ALA H 2.500 . 2.500 2.463 2.415 2.488 . 0 0 "[ .]" 2
23 1 6 THR HB 1 7 ALA H 3.260 . 3.260 2.632 2.572 2.762 . 0 0 "[ .]" 2
24 1 7 ALA H 1 21 TYR QD 5.500 . 5.500 3.894 3.749 4.005 . 0 0 "[ .]" 2
25 1 7 ALA H 1 21 TYR QE 5.500 . 5.500 4.271 4.140 4.329 . 0 0 "[ .]" 2
26 1 7 ALA HA 1 8 THR H 2.500 . 2.500 2.419 2.397 2.441 . 0 0 "[ .]" 2
27 1 8 THR H 1 8 THR HB 3.000 . 3.000 3.009 3.003 3.015 0.015 1 0 "[ .]" 2
28 1 8 THR H 1 20 THR H 3.550 . 3.550 2.944 2.782 3.092 . 0 0 "[ .]" 2
29 1 8 THR H 1 22 SER H 5.500 . 5.500 5.063 4.944 5.131 . 0 0 "[ .]" 2
30 1 8 THR H 1 21 TYR QD 5.500 . 5.500 4.513 4.358 4.632 . 0 0 "[ .]" 2
31 1 8 THR H 1 19 VAL HA 5.040 . 5.040 4.433 4.327 4.563 . 0 0 "[ .]" 2
32 1 8 THR H 1 19 VAL MG1 3.260 . 3.260 2.832 2.763 2.952 . 0 0 "[ .]" 2
33 1 8 THR H 1 19 VAL MG2 4.230 . 4.230 4.059 3.883 4.209 . 0 0 "[ .]" 2
34 1 8 THR HB 1 9 ARG H 4.620 . 4.620 4.325 3.810 4.490 . 0 0 "[ .]" 2
35 1 8 THR MG 1 10 ALA H 5.040 . 5.040 4.325 3.927 4.571 . 0 0 "[ .]" 2
36 1 9 ARG H 1 9 ARG QD 4.620 . 4.620 4.214 3.169 4.637 0.017 1 0 "[ .]" 2
37 1 9 ARG H 1 10 ALA H 5.040 . 5.040 4.513 4.379 4.575 . 0 0 "[ .]" 2
38 1 9 ARG HA 1 10 ALA H 2.500 . 2.500 2.191 2.187 2.195 . 0 0 "[ .]" 2
39 1 9 ARG HB3 1 10 ALA H 3.550 . 3.550 3.518 3.430 3.563 0.013 3 0 "[ .]" 2
40 1 9 ARG QG 1 10 ALA H 4.230 . 4.230 4.080 3.872 4.243 0.013 1 0 "[ .]" 2
41 1 9 ARG HA 1 20 THR H 3.880 . 3.880 3.634 3.435 3.842 . 0 0 "[ .]" 2
42 1 9 ARG HE 1 17 PHE QD 5.500 . 5.500 4.860 4.284 5.419 . 0 0 "[ .]" 2
43 1 10 ALA H 1 11 GLU H 3.880 . 3.880 3.068 2.930 3.157 . 0 0 "[ .]" 2
44 1 10 ALA H 1 19 VAL HA 3.260 . 3.260 2.624 2.548 2.777 . 0 0 "[ .]" 2
45 1 10 ALA H 1 18 ASN QB 5.500 . 5.500 4.110 3.951 4.443 . 0 0 "[ .]" 2
46 1 10 ALA H 1 19 VAL MG1 4.620 . 4.620 4.652 4.637 4.664 0.044 1 0 "[ .]" 2
47 1 10 ALA H 1 19 VAL MG2 4.230 . 4.230 3.737 3.557 4.017 . 0 0 "[ .]" 2
48 1 10 ALA MB 1 11 GLU H 2.500 . 2.500 1.894 1.883 1.907 0.017 1 0 "[ .]" 2
49 1 10 ALA MB 1 18 ASN H 4.620 . 4.620 4.387 4.285 4.519 . 0 0 "[ .]" 2
50 1 11 GLU H 1 11 GLU HA 3.000 . 3.000 2.949 2.927 2.972 . 0 0 "[ .]" 2
51 1 11 GLU H 1 11 GLU QG 3.880 . 3.880 2.096 1.894 2.338 0.006 2 0 "[ .]" 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 277
_Distance_constraint_stats_list.Viol_count 166
_Distance_constraint_stats_list.Viol_total 16.681
_Distance_constraint_stats_list.Viol_max 0.189
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0201
_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 11 GLU 0.070 0.031 2 0 "[ .]"
1 12 GLU 0.003 0.003 5 0 "[ .]"
1 13 TRP 0.003 0.003 5 0 "[ .]"
1 15 ASP 0.000 0.000 . 0 "[ .]"
1 16 GLY 0.000 0.000 . 0 "[ .]"
1 17 PHE 0.000 0.000 . 0 "[ .]"
1 18 ASN 0.070 0.031 2 0 "[ .]"
1 19 VAL 0.039 0.029 1 0 "[ .]"
1 20 THR 0.039 0.029 1 0 "[ .]"
1 21 TYR 0.250 0.046 5 0 "[ .]"
1 22 SER 0.134 0.046 5 0 "[ .]"
1 23 VAL 0.083 0.028 4 0 "[ .]"
1 24 SER 0.083 0.028 4 0 "[ .]"
1 25 GLY 0.086 0.025 1 0 "[ .]"
1 26 SER 0.087 0.025 1 0 "[ .]"
1 27 SER 0.000 0.000 . 0 "[ .]"
1 28 ALA 0.004 0.004 4 0 "[ .]"
1 29 TRP 0.015 0.007 4 0 "[ .]"
1 30 THR 0.056 0.016 1 0 "[ .]"
1 32 ASN 0.000 0.000 . 0 "[ .]"
1 33 LEU 0.137 0.034 5 0 "[ .]"
1 34 ALA 0.224 0.049 3 0 "[ .]"
1 35 LEU 0.059 0.010 2 0 "[ .]"
1 36 ASN 0.106 0.101 4 0 "[ .]"
1 37 GLY 0.000 0.000 . 0 "[ .]"
1 38 SER 0.094 0.068 5 0 "[ .]"
1 39 GLN 0.406 0.068 5 0 "[ .]"
1 40 THR 0.305 0.062 1 0 "[ .]"
1 41 ILE 0.012 0.012 3 0 "[ .]"
1 42 GLN 0.077 0.031 3 0 "[ .]"
1 43 ALA 0.048 0.020 3 0 "[ .]"
1 44 SER 0.006 0.005 1 0 "[ .]"
1 45 TRP 0.010 0.005 5 0 "[ .]"
1 46 ASN 0.012 0.006 2 0 "[ .]"
1 47 ALA 0.563 0.120 1 0 "[ .]"
1 48 ASN 0.061 0.015 3 0 "[ .]"
1 49 VAL 0.058 0.015 3 0 "[ .]"
1 50 THR 0.090 0.020 2 0 "[ .]"
1 51 GLY 0.039 0.020 2 0 "[ .]"
1 52 SER 0.008 0.008 3 0 "[ .]"
1 53 GLY 0.008 0.008 3 0 "[ .]"
1 54 SER 0.000 0.000 . 0 "[ .]"
1 55 THR 0.032 0.010 2 0 "[ .]"
1 56 ARG 0.009 0.007 3 0 "[ .]"
1 57 THR 0.002 0.002 3 0 "[ .]"
1 58 VAL 0.050 0.014 1 0 "[ .]"
1 59 THR 0.000 0.000 3 0 "[ .]"
1 60 PRO 0.011 0.007 4 0 "[ .]"
1 61 ASN 0.003 0.003 1 0 "[ .]"
1 62 GLY 0.013 0.006 4 0 "[ .]"
1 63 SER 0.003 0.002 4 0 "[ .]"
1 64 GLY 0.028 0.012 4 0 "[ .]"
1 65 ASN 0.029 0.012 4 0 "[ .]"
1 66 THR 0.027 0.009 2 0 "[ .]"
1 67 PHE 0.027 0.009 2 0 "[ .]"
1 68 GLY 0.121 0.030 3 0 "[ .]"
1 69 VAL 0.032 0.011 5 0 "[ .]"
1 70 THR 0.031 0.011 5 0 "[ .]"
1 71 VAL 0.043 0.031 3 0 "[ .]"
1 72 MET 0.000 0.000 . 0 "[ .]"
1 73 LYS 0.000 0.000 . 0 "[ .]"
1 74 ASN 0.000 0.000 . 0 "[ .]"
1 75 GLY 0.000 0.000 . 0 "[ .]"
1 76 SER 0.002 0.002 1 0 "[ .]"
1 77 SER 0.000 0.000 . 0 "[ .]"
1 78 THR 0.689 0.189 4 0 "[ .]"
1 80 PRO 0.098 0.027 4 0 "[ .]"
1 81 ALA 0.194 0.027 4 0 "[ .]"
1 82 ALA 0.121 0.027 4 0 "[ .]"
1 83 THR 0.382 0.049 3 0 "[ .]"
1 84 CYS 0.118 0.026 5 0 "[ .]"
1 85 ALA 0.032 0.009 5 0 "[ .]"
1 86 GLY 0.047 0.016 1 0 "[ .]"
1 87 SER 0.000 0.000 . 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLU H 1 18 ASN H 4.620 . 4.620 3.273 3.008 3.439 . 0 0 "[ .]" 3
2 1 11 GLU QG 1 12 GLU H 4.620 . 4.620 4.369 4.256 4.465 . 0 0 "[ .]" 3
3 1 11 GLU QG 1 18 ASN QD 5.500 . 5.500 1.896 1.891 1.905 0.009 3 0 "[ .]" 3
4 1 11 GLU HB3 1 18 ASN QD 4.230 . 4.230 3.401 2.763 4.261 0.031 2 0 "[ .]" 3
5 1 12 GLU HA 1 13 TRP H 2.730 . 2.730 2.300 2.268 2.341 . 0 0 "[ .]" 3
6 1 12 GLU QG 1 13 TRP H 3.000 . 3.000 1.989 1.901 2.104 . 0 0 "[ .]" 3
7 1 12 GLU QB 1 13 TRP H 3.550 . 3.550 3.472 3.396 3.553 0.003 5 0 "[ .]" 3
8 1 13 TRP H 1 13 TRP HD1 5.500 . 5.500 4.077 4.025 4.128 . 0 0 "[ .]" 3
9 1 13 TRP H 1 18 ASN H 5.500 . 5.500 5.288 5.149 5.391 . 0 0 "[ .]" 3
10 1 13 TRP H 1 17 PHE HA 3.880 . 3.880 3.415 3.331 3.501 . 0 0 "[ .]" 3
11 1 13 TRP HD1 1 15 ASP H 2.730 . 2.730 2.303 2.267 2.325 . 0 0 "[ .]" 3
12 1 13 TRP HE1 1 15 ASP HA 5.500 . 5.500 4.517 4.494 4.538 . 0 0 "[ .]" 3
13 1 13 TRP HE1 1 70 THR MG 4.620 . 4.620 3.707 3.571 3.825 . 0 0 "[ .]" 3
14 1 13 TRP HZ2 1 16 GLY H 5.500 . 5.500 4.419 4.388 4.441 . 0 0 "[ .]" 3
15 1 13 TRP HZ2 1 71 VAL H 5.500 . 5.500 4.970 4.345 5.264 . 0 0 "[ .]" 3
16 1 16 GLY H 1 73 LYS H 5.500 . 5.500 4.258 4.079 4.329 . 0 0 "[ .]" 3
17 1 17 PHE H 1 17 PHE QD 3.260 . 3.260 2.508 2.286 2.726 . 0 0 "[ .]" 3
18 1 17 PHE H 1 17 PHE QB 3.880 . 3.880 3.182 3.130 3.241 . 0 0 "[ .]" 3
19 1 17 PHE H 1 18 ASN H 5.040 . 5.040 4.321 4.181 4.386 . 0 0 "[ .]" 3
20 1 17 PHE H 1 19 VAL MG2 5.500 . 5.500 4.960 4.818 5.255 . 0 0 "[ .]" 3
21 1 17 PHE H 1 70 THR MG 3.550 . 3.550 3.299 3.107 3.469 . 0 0 "[ .]" 3
22 1 18 ASN H 1 18 ASN QD 5.500 . 5.500 3.907 3.411 4.656 . 0 0 "[ .]" 3
23 1 18 ASN H 1 19 VAL MG2 5.500 . 5.500 5.072 4.983 5.120 . 0 0 "[ .]" 3
24 1 19 VAL H 1 19 VAL HB 3.550 . 3.550 2.219 2.194 2.246 . 0 0 "[ .]" 3
25 1 19 VAL H 1 71 VAL H 5.500 . 5.500 3.626 3.287 3.923 . 0 0 "[ .]" 3
26 1 19 VAL H 1 45 TRP HH2 5.500 . 5.500 4.858 4.485 5.187 . 0 0 "[ .]" 3
27 1 19 VAL H 1 70 THR HA 3.880 . 3.880 3.541 3.436 3.592 . 0 0 "[ .]" 3
28 1 19 VAL HA 1 20 THR H 2.500 . 2.500 2.296 2.284 2.310 . 0 0 "[ .]" 3
29 1 19 VAL HB 1 20 THR H 4.620 . 4.620 4.173 4.098 4.201 . 0 0 "[ .]" 3
30 1 19 VAL MG1 1 20 THR H 2.730 . 2.730 2.006 1.890 2.049 0.010 1 0 "[ .]" 3
31 1 19 VAL MG2 1 20 THR H 3.550 . 3.550 3.463 3.373 3.579 0.029 1 0 "[ .]" 3
32 1 19 VAL MG1 1 21 TYR H 5.500 . 5.500 2.974 2.968 2.984 . 0 0 "[ .]" 3
33 1 19 VAL HB 1 69 VAL H 4.620 . 4.620 3.436 3.218 3.640 . 0 0 "[ .]" 3
34 1 20 THR H 1 21 TYR H 5.500 . 5.500 3.841 3.781 3.876 . 0 0 "[ .]" 3
35 1 20 THR HA 1 21 TYR H 2.500 . 2.500 2.258 2.254 2.265 . 0 0 "[ .]" 3
36 1 20 THR HA 1 67 PHE H 5.500 . 5.500 4.814 4.785 4.861 . 0 0 "[ .]" 3
37 1 21 TYR H 1 21 TYR QE 5.040 . 5.040 4.702 4.667 4.753 . 0 0 "[ .]" 3
38 1 21 TYR H 1 22 SER H 5.500 . 5.500 4.568 4.543 4.582 . 0 0 "[ .]" 3
39 1 21 TYR H 1 69 VAL H 5.500 . 5.500 4.758 4.679 4.878 . 0 0 "[ .]" 3
40 1 21 TYR H 1 66 THR HA 5.500 . 5.500 5.008 4.954 5.058 . 0 0 "[ .]" 3
41 1 21 TYR H 1 68 GLY HA2 4.620 . 4.620 4.643 4.636 4.650 0.030 3 0 "[ .]" 3
42 1 21 TYR QD 1 22 SER H 3.880 . 3.880 3.907 3.892 3.926 0.046 5 0 "[ .]" 3
43 1 21 TYR HB2 1 67 PHE H 4.620 . 4.620 3.273 3.251 3.298 . 0 0 "[ .]" 3
44 1 22 SER H 1 66 THR HA 5.500 . 5.500 4.591 4.494 4.712 . 0 0 "[ .]" 3
45 1 22 SER H 1 23 VAL H 5.500 . 5.500 4.367 4.339 4.394 . 0 0 "[ .]" 3
46 1 23 VAL H 1 23 VAL MG1 3.880 . 3.880 3.782 3.770 3.795 . 0 0 "[ .]" 3
47 1 23 VAL H 1 66 THR HA 3.550 . 3.550 2.422 2.328 2.548 . 0 0 "[ .]" 3
48 1 23 VAL H 1 65 ASN HA 5.040 . 5.040 4.355 4.263 4.475 . 0 0 "[ .]" 3
49 1 23 VAL H 1 65 ASN HB2 4.230 . 4.230 3.897 3.603 4.081 . 0 0 "[ .]" 3
50 1 23 VAL MG1 1 24 SER H 2.730 . 2.730 2.226 1.919 2.589 . 0 0 "[ .]" 3
51 1 23 VAL MG2 1 24 SER H 3.880 . 3.880 3.897 3.883 3.908 0.028 4 0 "[ .]" 3
52 1 23 VAL MG1 1 25 GLY H 5.500 . 5.500 3.948 3.684 4.128 . 0 0 "[ .]" 3
53 1 23 VAL MG1 1 29 TRP H 5.500 . 5.500 4.429 4.335 4.571 . 0 0 "[ .]" 3
54 1 23 VAL HB 1 65 ASN QD 4.620 . 4.620 4.036 3.049 4.516 . 0 0 "[ .]" 3
55 1 24 SER H 1 25 GLY H 5.500 . 5.500 4.128 4.055 4.217 . 0 0 "[ .]" 3
56 1 24 SER HA 1 25 GLY H 2.500 . 2.500 2.195 2.189 2.204 . 0 0 "[ .]" 3
57 1 24 SER HA 1 26 SER H 5.500 . 5.500 3.834 3.738 3.925 . 0 0 "[ .]" 3
58 1 25 GLY QA 1 26 SER H 2.730 . 2.730 2.747 2.741 2.755 0.025 1 0 "[ .]" 3
59 1 26 SER H 1 26 SER QB 3.000 . 3.000 2.833 2.784 3.001 0.001 1 0 "[ .]" 3
60 1 26 SER H 1 27 SER H 5.040 . 5.040 4.412 4.407 4.415 . 0 0 "[ .]" 3
61 1 26 SER HA 1 27 SER H 2.500 . 2.500 2.451 2.392 2.483 . 0 0 "[ .]" 3
62 1 26 SER QB 1 27 SER H 5.500 . 5.500 2.868 2.642 2.950 . 0 0 "[ .]" 3
63 1 27 SER H 1 28 ALA MB 4.620 . 4.620 3.974 3.948 4.017 . 0 0 "[ .]" 3
64 1 27 SER HA 1 29 TRP HE1 3.880 . 3.880 2.925 2.796 2.998 . 0 0 "[ .]" 3
65 1 27 SER HA 1 65 ASN QD 4.230 . 4.230 2.751 2.031 3.711 . 0 0 "[ .]" 3
66 1 28 ALA H 1 28 ALA MB 2.500 . 2.500 2.136 2.095 2.184 . 0 0 "[ .]" 3
67 1 28 ALA H 1 29 TRP HD1 4.620 . 4.620 3.871 3.856 3.907 . 0 0 "[ .]" 3
68 1 28 ALA H 1 29 TRP H 4.230 . 4.230 3.798 3.690 3.898 . 0 0 "[ .]" 3
69 1 28 ALA HA 1 29 TRP H 2.500 . 2.500 2.455 2.405 2.504 0.004 4 0 "[ .]" 3
70 1 28 ALA MB 1 29 TRP H 3.880 . 3.880 3.702 3.687 3.714 . 0 0 "[ .]" 3
71 1 28 ALA HA 1 29 TRP HE1 5.500 . 5.500 5.452 5.382 5.488 . 0 0 "[ .]" 3
72 1 29 TRP H 1 29 TRP HE1 5.500 . 5.500 3.903 3.831 3.995 . 0 0 "[ .]" 3
73 1 29 TRP H 1 29 TRP HD1 3.260 . 3.260 2.631 2.488 2.760 . 0 0 "[ .]" 3
74 1 29 TRP H 1 30 THR H 5.040 . 5.040 4.505 4.492 4.516 . 0 0 "[ .]" 3
75 1 29 TRP H 1 29 TRP HB2 3.880 . 3.880 3.706 3.676 3.746 . 0 0 "[ .]" 3
76 1 29 TRP HB3 1 29 TRP HE1 5.500 . 5.500 4.752 4.747 4.754 . 0 0 "[ .]" 3
77 1 29 TRP H 1 60 PRO QD 4.230 . 4.230 3.469 3.172 3.710 . 0 0 "[ .]" 3
78 1 29 TRP H 1 60 PRO HB3 5.500 . 5.500 3.425 2.671 4.075 . 0 0 "[ .]" 3
79 1 29 TRP H 1 60 PRO HB2 5.500 . 5.500 4.257 3.792 4.537 . 0 0 "[ .]" 3
80 1 29 TRP H 1 60 PRO HG3 3.550 . 3.550 2.086 1.893 2.470 0.007 4 0 "[ .]" 3
81 1 30 THR H 1 85 ALA H 3.550 . 3.550 2.822 2.727 2.922 . 0 0 "[ .]" 3
82 1 30 THR H 1 84 CYS HA 4.620 . 4.620 3.641 3.478 3.859 . 0 0 "[ .]" 3
83 1 30 THR H 1 86 GLY QA 5.040 . 5.040 4.964 4.666 5.056 0.016 1 0 "[ .]" 3
84 1 30 THR H 1 85 ALA MB 4.620 . 4.620 4.600 4.501 4.629 0.009 5 0 "[ .]" 3
85 1 30 THR MG 1 85 ALA H 5.040 . 5.040 4.689 4.587 4.756 . 0 0 "[ .]" 3
86 1 32 ASN H 1 33 LEU H 4.620 . 4.620 4.407 4.364 4.490 . 0 0 "[ .]" 3
87 1 32 ASN QD 1 55 THR MG 3.550 . 3.550 2.963 2.485 3.271 . 0 0 "[ .]" 3
88 1 33 LEU H 1 33 LEU HB3 3.550 . 3.550 3.526 3.516 3.544 . 0 0 "[ .]" 3
89 1 33 LEU H 1 33 LEU QD 4.230 . 4.230 3.012 2.044 3.478 . 0 0 "[ .]" 3
90 1 33 LEU H 1 58 VAL MG2 4.620 . 4.620 2.990 2.888 3.126 . 0 0 "[ .]" 3
91 1 33 LEU H 1 34 ALA H 4.620 . 4.620 4.603 4.492 4.636 0.016 2 0 "[ .]" 3
92 1 33 LEU H 1 56 ARG H 3.550 . 3.550 3.395 3.061 3.557 0.007 3 0 "[ .]" 3
93 1 33 LEU H 1 58 VAL H 5.040 . 5.040 3.502 3.210 3.719 . 0 0 "[ .]" 3
94 1 33 LEU HA 1 82 ALA H 5.500 . 5.500 5.100 4.734 5.251 . 0 0 "[ .]" 3
95 1 33 LEU HA 1 83 THR H 4.230 . 4.230 4.244 4.221 4.264 0.034 5 0 "[ .]" 3
96 1 33 LEU QD 1 83 THR H 4.620 . 4.620 4.439 3.912 4.625 0.005 5 0 "[ .]" 3
97 1 34 ALA H 1 83 THR H 5.500 . 5.500 5.536 5.525 5.549 0.049 3 0 "[ .]" 3
98 1 34 ALA H 1 80 PRO HA 5.040 . 5.040 4.827 4.695 4.920 . 0 0 "[ .]" 3
99 1 34 ALA H 1 80 PRO QB 4.620 . 4.620 2.872 2.638 3.270 . 0 0 "[ .]" 3
100 1 34 ALA HA 1 35 LEU H 2.500 . 2.500 2.271 2.222 2.296 . 0 0 "[ .]" 3
101 1 35 LEU H 1 35 LEU HB2 2.730 . 2.730 2.286 2.220 2.308 . 0 0 "[ .]" 3
102 1 35 LEU H 1 35 LEU QD 3.550 . 3.550 1.993 1.896 2.378 0.004 4 0 "[ .]" 3
103 1 35 LEU H 1 54 SER HA 4.620 . 4.620 4.392 4.208 4.581 . 0 0 "[ .]" 3
104 1 35 LEU H 1 39 GLN HB2 5.500 . 5.500 5.458 5.382 5.505 0.005 5 0 "[ .]" 3
105 1 35 LEU H 1 55 THR MG 3.880 . 3.880 3.740 3.497 3.887 0.007 2 0 "[ .]" 3
106 1 35 LEU HA 1 36 ASN H 2.500 . 2.500 2.474 2.427 2.504 0.004 4 0 "[ .]" 3
107 1 35 LEU QD 1 40 THR H 5.040 . 5.040 3.417 2.615 3.715 . 0 0 "[ .]" 3
108 1 35 LEU HB2 1 55 THR H 5.500 . 5.500 5.297 4.832 5.506 0.006 1 0 "[ .]" 3
109 1 35 LEU QD 1 55 THR H 5.040 . 5.040 4.762 4.358 5.050 0.010 2 0 "[ .]" 3
110 1 35 LEU HA 1 36 ASN QD 4.620 . 4.620 3.576 3.181 3.807 . 0 0 "[ .]" 3
111 1 36 ASN H 1 36 ASN HB2 3.000 . 3.000 2.918 2.904 2.939 . 0 0 "[ .]" 3
112 1 36 ASN H 1 37 GLY H 5.500 . 5.500 4.542 4.527 4.557 . 0 0 "[ .]" 3
113 1 36 ASN H 1 39 GLN QG 4.230 . 4.230 3.307 3.050 3.497 . 0 0 "[ .]" 3
114 1 36 ASN HA 1 37 GLY H 2.500 . 2.500 2.347 2.298 2.437 . 0 0 "[ .]" 3
115 1 36 ASN HB2 1 78 THR H 5.500 . 5.500 4.751 4.361 5.275 . 0 0 "[ .]" 3
116 1 36 ASN QD 1 80 PRO HA 3.000 . 3.000 1.949 1.900 2.017 0.000 1 0 "[ .]" 3
117 1 36 ASN QD 1 80 PRO QB 4.620 . 4.620 3.221 3.134 3.388 . 0 0 "[ .]" 3
118 1 36 ASN QD 1 78 THR MG 3.000 . 3.000 2.228 1.976 3.101 0.101 4 0 "[ .]" 3
119 1 37 GLY H 1 39 GLN H 5.500 . 5.500 4.636 4.560 4.730 . 0 0 "[ .]" 3
120 1 38 SER H 1 74 ASN HB3 5.500 . 5.500 4.446 4.075 4.735 . 0 0 "[ .]" 3
121 1 38 SER QB 1 39 GLN H 3.880 . 3.880 3.833 3.656 3.948 0.068 5 0 "[ .]" 3
122 1 39 GLN H 1 39 GLN HA 3.000 . 3.000 2.785 2.759 2.856 . 0 0 "[ .]" 3
123 1 39 GLN H 1 40 THR H 4.620 . 4.620 4.670 4.649 4.682 0.062 1 0 "[ .]" 3
124 1 39 GLN H 1 74 ASN QD 5.500 . 5.500 4.480 4.153 4.885 . 0 0 "[ .]" 3
125 1 39 GLN HA 1 40 THR H 2.500 . 2.500 2.489 2.455 2.520 0.020 3 0 "[ .]" 3
126 1 39 GLN QG 1 40 THR H 3.880 . 3.880 3.725 3.503 3.892 0.012 5 0 "[ .]" 3
127 1 39 GLN HB3 1 40 THR H 3.260 . 3.260 2.347 2.261 2.425 . 0 0 "[ .]" 3
128 1 39 GLN QG 1 76 SER H 4.230 . 4.230 3.953 3.565 4.232 0.002 1 0 "[ .]" 3
129 1 39 GLN QE 1 78 THR H 4.230 . 4.230 2.852 2.557 3.581 . 0 0 "[ .]" 3
130 1 39 GLN QE 1 71 VAL MG1 4.230 . 4.230 2.300 1.896 2.833 0.004 5 0 "[ .]" 3
131 1 39 GLN HA 1 74 ASN QD 3.550 . 3.550 2.940 2.869 3.078 . 0 0 "[ .]" 3
132 1 40 THR H 1 40 THR MG 3.260 . 3.260 2.569 2.550 2.580 . 0 0 "[ .]" 3
133 1 40 THR H 1 72 MET H 3.550 . 3.550 2.697 2.340 3.006 . 0 0 "[ .]" 3
134 1 40 THR H 1 72 MET HA 5.500 . 5.500 4.527 4.463 4.695 . 0 0 "[ .]" 3
135 1 40 THR H 1 71 VAL HA 4.620 . 4.620 4.155 3.923 4.326 . 0 0 "[ .]" 3
136 1 40 THR H 1 72 MET QB 3.880 . 3.880 2.126 1.974 2.351 . 0 0 "[ .]" 3
137 1 40 THR HA 1 41 ILE H 2.730 . 2.730 2.518 2.421 2.577 . 0 0 "[ .]" 3
138 1 40 THR HB 1 41 ILE H 2.730 . 2.730 2.596 2.515 2.742 0.012 3 0 "[ .]" 3
139 1 41 ILE H 1 42 GLN H 5.500 . 5.500 4.411 4.266 4.536 . 0 0 "[ .]" 3
140 1 41 ILE HA 1 42 GLN H 2.500 . 2.500 2.204 2.193 2.212 . 0 0 "[ .]" 3
141 1 41 ILE HB 1 42 GLN H 5.500 . 5.500 4.375 4.260 4.479 . 0 0 "[ .]" 3
142 1 41 ILE MD 1 42 GLN H 5.040 . 5.040 3.304 3.103 3.473 . 0 0 "[ .]" 3
143 1 41 ILE HA 1 43 ALA H 4.620 . 4.620 3.854 3.718 3.987 . 0 0 "[ .]" 3
144 1 41 ILE MD 1 70 THR H 5.500 . 5.500 4.111 3.886 4.315 . 0 0 "[ .]" 3
145 1 42 GLN H 1 70 THR HB 4.230 . 4.230 3.169 3.010 3.344 . 0 0 "[ .]" 3
146 1 42 GLN H 1 43 ALA MB 5.040 . 5.040 4.436 4.365 4.512 . 0 0 "[ .]" 3
147 1 42 GLN H 1 70 THR MG 5.040 . 5.040 3.459 3.194 3.690 . 0 0 "[ .]" 3
148 1 42 GLN H 1 71 VAL MG1 5.500 . 5.500 5.476 5.424 5.531 0.031 3 0 "[ .]" 3
149 1 42 GLN QB 1 43 ALA H 2.730 . 2.730 2.731 2.697 2.750 0.020 3 0 "[ .]" 3
150 1 42 GLN H 1 70 THR H 5.500 . 5.500 3.701 3.415 3.935 . 0 0 "[ .]" 3
151 1 43 ALA HA 1 44 SER H 2.500 . 2.500 2.480 2.442 2.505 0.005 1 0 "[ .]" 3
152 1 43 ALA MB 1 44 SER H 2.500 . 2.500 2.377 2.267 2.467 . 0 0 "[ .]" 3
153 1 43 ALA HA 1 70 THR H 5.500 . 5.500 4.457 4.421 4.490 . 0 0 "[ .]" 3
154 1 43 ALA MB 1 70 THR H 4.230 . 4.230 3.089 2.967 3.176 . 0 0 "[ .]" 3
155 1 44 SER H 1 44 SER HA 3.000 . 3.000 2.922 2.896 2.936 . 0 0 "[ .]" 3
156 1 44 SER H 1 44 SER QB 3.260 . 3.260 3.121 2.957 3.259 . 0 0 "[ .]" 3
157 1 44 SER H 1 45 TRP HE3 4.620 . 4.620 3.087 2.758 3.349 . 0 0 "[ .]" 3
158 1 44 SER H 1 45 TRP HZ3 5.500 . 5.500 4.031 3.622 4.410 . 0 0 "[ .]" 3
159 1 44 SER QB 1 45 TRP H 2.500 . 2.500 2.465 2.430 2.502 0.002 2 0 "[ .]" 3
160 1 44 SER QB 1 49 VAL H 5.500 . 5.500 3.661 3.367 4.041 . 0 0 "[ .]" 3
161 1 44 SER HA 1 70 THR H 5.040 . 5.040 3.821 3.744 3.972 . 0 0 "[ .]" 3
162 1 44 SER QB 1 70 THR H 5.500 . 5.500 4.734 4.373 5.250 . 0 0 "[ .]" 3
163 1 45 TRP HB2 1 45 TRP HE1 5.040 . 5.040 4.789 4.776 4.801 . 0 0 "[ .]" 3
164 1 45 TRP H 1 46 ASN H 5.500 . 5.500 4.388 4.379 4.395 . 0 0 "[ .]" 3
165 1 45 TRP H 1 67 PHE QD 5.500 . 5.500 4.069 3.948 4.239 . 0 0 "[ .]" 3
166 1 45 TRP H 1 68 GLY HA2 5.040 . 5.040 4.527 4.475 4.589 . 0 0 "[ .]" 3
167 1 45 TRP H 1 68 GLY HA3 5.040 . 5.040 4.969 4.914 5.045 0.005 5 0 "[ .]" 3
168 1 45 TRP H 1 69 VAL HA 4.620 . 4.620 4.021 3.982 4.116 . 0 0 "[ .]" 3
169 1 45 TRP H 1 67 PHE HB2 5.500 . 5.500 3.472 3.337 3.665 . 0 0 "[ .]" 3
170 1 45 TRP H 1 69 VAL QG 3.550 . 3.550 2.707 2.627 2.769 . 0 0 "[ .]" 3
171 1 45 TRP H 1 49 VAL QG 4.620 . 4.620 3.682 3.401 3.816 . 0 0 "[ .]" 3
172 1 45 TRP HD1 1 46 ASN H 4.620 . 4.620 3.604 3.378 3.786 . 0 0 "[ .]" 3
173 1 45 TRP HA 1 47 ALA H 3.550 . 3.550 3.037 3.019 3.051 . 0 0 "[ .]" 3
174 1 45 TRP HB2 1 47 ALA H 5.500 . 5.500 4.517 4.480 4.551 . 0 0 "[ .]" 3
175 1 45 TRP HE1 1 69 VAL H 5.500 . 5.500 5.411 5.223 5.503 0.003 1 0 "[ .]" 3
176 1 46 ASN H 1 46 ASN HA 2.500 . 2.500 2.348 2.344 2.352 . 0 0 "[ .]" 3
177 1 46 ASN H 1 46 ASN QB 4.620 . 4.620 3.174 3.116 3.287 . 0 0 "[ .]" 3
178 1 46 ASN QB 1 46 ASN QD 3.260 . 3.260 2.284 2.233 2.315 . 0 0 "[ .]" 3
179 1 46 ASN H 1 47 ALA MB 5.500 . 5.500 4.789 4.773 4.799 . 0 0 "[ .]" 3
180 1 46 ASN HA 1 47 ALA H 3.260 . 3.260 3.231 3.176 3.266 0.006 2 0 "[ .]" 3
181 1 46 ASN QD 1 66 THR MG 5.040 . 5.040 3.791 3.607 4.004 . 0 0 "[ .]" 3
182 1 47 ALA H 1 47 ALA HA 2.730 . 2.730 2.840 2.834 2.850 0.120 1 0 "[ .]" 3
183 1 47 ALA H 1 48 ASN H 5.500 . 5.500 4.261 4.222 4.366 . 0 0 "[ .]" 3
184 1 47 ALA H 1 48 ASN HA 5.500 . 5.500 4.519 4.499 4.546 . 0 0 "[ .]" 3
185 1 47 ALA HA 1 61 ASN QD 4.230 . 4.230 3.177 2.183 4.190 . 0 0 "[ .]" 3
186 1 48 ASN H 1 48 ASN QD 4.230 . 4.230 2.422 1.969 2.793 . 0 0 "[ .]" 3
187 1 48 ASN HB2 1 48 ASN QD 3.000 . 3.000 2.433 2.244 2.862 . 0 0 "[ .]" 3
188 1 48 ASN H 1 58 VAL HA 5.040 . 5.040 4.818 4.254 5.031 . 0 0 "[ .]" 3
189 1 48 ASN H 1 60 PRO HA 5.500 . 5.500 4.461 4.267 4.631 . 0 0 "[ .]" 3
190 1 48 ASN H 1 61 ASN QB 4.620 . 4.620 4.051 3.861 4.365 . 0 0 "[ .]" 3
191 1 48 ASN H 1 49 VAL QG 5.040 . 5.040 4.321 3.774 4.854 . 0 0 "[ .]" 3
192 1 48 ASN HA 1 49 VAL H 2.500 . 2.500 2.237 2.235 2.240 . 0 0 "[ .]" 3
193 1 48 ASN HB3 1 49 VAL H 3.880 . 3.880 3.892 3.885 3.895 0.015 3 0 "[ .]" 3
194 1 48 ASN H 1 59 THR H 3.880 . 3.880 2.987 2.595 3.136 . 0 0 "[ .]" 3
195 1 48 ASN HB2 1 59 THR H 4.230 . 4.230 3.543 3.064 3.955 . 0 0 "[ .]" 3
196 1 48 ASN QD 1 61 ASN HA 4.230 . 4.230 2.961 2.360 4.233 0.003 1 0 "[ .]" 3
197 1 48 ASN QD 1 61 ASN QB 3.550 . 3.550 3.316 2.948 3.550 . 0 0 "[ .]" 3
198 1 49 VAL H 1 49 VAL QG 3.260 . 3.260 2.302 2.008 2.582 . 0 0 "[ .]" 3
199 1 49 VAL H 1 58 VAL MG1 5.500 . 5.500 4.520 4.374 4.713 . 0 0 "[ .]" 3
200 1 49 VAL HA 1 50 THR H 2.500 . 2.500 2.229 2.196 2.256 . 0 0 "[ .]" 3
201 1 49 VAL HB 1 50 THR H 4.620 . 4.620 4.069 3.931 4.204 . 0 0 "[ .]" 3
202 1 49 VAL QG 1 50 THR H 2.730 . 2.730 2.381 2.202 2.510 . 0 0 "[ .]" 3
203 1 49 VAL QG 1 57 THR H 4.230 . 4.230 3.731 3.359 4.041 . 0 0 "[ .]" 3
204 1 49 VAL QG 1 59 THR H 4.230 . 4.230 3.690 3.143 4.216 . 0 0 "[ .]" 3
205 1 50 THR H 1 58 VAL HA 3.880 . 3.880 3.830 3.687 3.884 0.004 1 0 "[ .]" 3
206 1 50 THR H 1 56 ARG HA 5.040 . 5.040 4.433 4.065 4.817 . 0 0 "[ .]" 3
207 1 50 THR H 1 57 THR HB 4.230 . 4.230 3.913 3.565 4.133 . 0 0 "[ .]" 3
208 1 50 THR H 1 58 VAL MG2 3.880 . 3.880 3.889 3.884 3.894 0.014 1 0 "[ .]" 3
209 1 50 THR HA 1 51 GLY H 2.500 . 2.500 2.382 2.338 2.503 0.003 1 0 "[ .]" 3
210 1 50 THR HB 1 51 GLY H 2.730 . 2.730 2.666 2.375 2.750 0.020 2 0 "[ .]" 3
211 1 50 THR HB 1 57 THR H 5.500 . 5.500 5.098 4.320 5.502 0.002 3 0 "[ .]" 3
212 1 52 SER HA 1 53 GLY H 2.730 . 2.730 2.540 2.219 2.738 0.008 3 0 "[ .]" 3
213 1 54 SER H 1 55 THR H 3.260 . 3.260 2.288 2.163 2.491 . 0 0 "[ .]" 3
214 1 54 SER HA 1 55 THR H 3.880 . 3.880 3.396 3.081 3.585 . 0 0 "[ .]" 3
215 1 55 THR H 1 56 ARG H 5.500 . 5.500 4.499 4.269 4.639 . 0 0 "[ .]" 3
216 1 56 ARG HA 1 56 ARG HE 5.500 . 5.500 5.082 4.643 5.430 . 0 0 "[ .]" 3
217 1 58 VAL H 1 59 THR H 5.040 . 5.040 4.557 4.529 4.584 . 0 0 "[ .]" 3
218 1 58 VAL HA 1 59 THR H 2.500 . 2.500 2.267 2.240 2.303 . 0 0 "[ .]" 3
219 1 58 VAL HB 1 59 THR H 5.040 . 5.040 4.063 3.975 4.124 . 0 0 "[ .]" 3
220 1 58 VAL MG2 1 59 THR H 3.880 . 3.880 3.837 3.771 3.880 . 3 0 "[ .]" 3
221 1 58 VAL MG1 1 59 THR H 3.000 . 3.000 2.024 1.912 2.163 . 0 0 "[ .]" 3
222 1 60 PRO HA 1 61 ASN H 2.500 . 2.500 2.245 2.228 2.278 . 0 0 "[ .]" 3
223 1 60 PRO HB2 1 62 GLY H 3.550 . 3.550 3.047 2.721 3.297 . 0 0 "[ .]" 3
224 1 61 ASN HA 1 61 ASN QD 3.880 . 3.880 3.799 3.654 3.874 . 0 0 "[ .]" 3
225 1 61 ASN HA 1 62 GLY H 3.550 . 3.550 3.477 3.426 3.524 . 0 0 "[ .]" 3
226 1 61 ASN QB 1 62 GLY H 4.620 . 4.620 3.154 2.746 3.681 . 0 0 "[ .]" 3
227 1 62 GLY H 1 63 SER QB 5.040 . 5.040 4.645 4.467 4.798 . 0 0 "[ .]" 3
228 1 62 GLY QA 1 63 SER H 3.550 . 3.550 2.821 2.719 2.935 . 0 0 "[ .]" 3
229 1 62 GLY H 1 64 GLY H 5.500 . 5.500 2.707 2.537 2.991 . 0 0 "[ .]" 3
230 1 62 GLY H 1 65 ASN H 5.500 . 5.500 5.503 5.501 5.506 0.006 4 0 "[ .]" 3
231 1 63 SER H 1 63 SER QB 3.000 . 3.000 2.702 2.552 2.837 . 0 0 "[ .]" 3
232 1 63 SER H 1 64 GLY QA 5.040 . 5.040 3.717 3.682 3.759 . 0 0 "[ .]" 3
233 1 63 SER H 1 64 GLY H 3.000 . 3.000 1.925 1.898 1.994 0.002 4 0 "[ .]" 3
234 1 64 GLY H 1 64 GLY QA 2.500 . 2.500 2.420 2.362 2.508 0.008 4 0 "[ .]" 3
235 1 64 GLY QA 1 65 ASN H 2.500 . 2.500 2.503 2.499 2.512 0.012 4 0 "[ .]" 3
236 1 64 GLY QA 1 66 THR H 3.880 . 3.880 3.082 3.020 3.156 . 0 0 "[ .]" 3
237 1 65 ASN H 1 65 ASN QD 4.230 . 4.230 3.189 2.091 4.230 . 0 0 "[ .]" 3
238 1 65 ASN H 1 66 THR H 3.000 . 3.000 2.747 2.693 2.785 . 0 0 "[ .]" 3
239 1 66 THR HB 1 67 PHE H 4.230 . 4.230 4.235 4.227 4.239 0.009 2 0 "[ .]" 3
240 1 66 THR MG 1 67 PHE H 2.730 . 2.730 2.569 2.479 2.619 . 0 0 "[ .]" 3
241 1 67 PHE H 1 67 PHE QE 5.500 . 5.500 4.244 4.224 4.270 . 0 0 "[ .]" 3
242 1 67 PHE H 1 68 GLY H 5.040 . 5.040 4.529 4.521 4.535 . 0 0 "[ .]" 3
243 1 67 PHE QD 1 68 GLY H 3.550 . 3.550 2.483 2.468 2.497 . 0 0 "[ .]" 3
244 1 68 GLY H 1 69 VAL QG 5.040 . 5.040 3.232 3.171 3.316 . 0 0 "[ .]" 3
245 1 69 VAL HA 1 70 THR H 3.550 . 3.550 2.355 2.318 2.387 . 0 0 "[ .]" 3
246 1 69 VAL HB 1 70 THR H 3.000 . 3.000 2.732 2.651 2.823 . 0 0 "[ .]" 3
247 1 69 VAL QG 1 70 THR H 3.260 . 3.260 3.241 3.189 3.271 0.011 5 0 "[ .]" 3
248 1 70 THR H 1 70 THR HB 3.000 . 3.000 2.365 2.347 2.380 . 0 0 "[ .]" 3
249 1 70 THR H 1 70 THR MG 4.230 . 4.230 3.738 3.729 3.743 . 0 0 "[ .]" 3
250 1 70 THR HB 1 71 VAL H 5.040 . 5.040 4.392 4.224 4.488 . 0 0 "[ .]" 3
251 1 70 THR MG 1 71 VAL H 3.000 . 3.000 2.796 2.363 3.003 0.003 4 0 "[ .]" 3
252 1 71 VAL HA 1 72 MET H 2.500 . 2.500 2.219 2.200 2.234 . 0 0 "[ .]" 3
253 1 72 MET QB 1 74 ASN H 5.500 . 5.500 3.386 3.306 3.481 . 0 0 "[ .]" 3
254 1 73 LYS H 1 73 LYS QB 3.880 . 3.880 2.577 2.273 2.797 . 0 0 "[ .]" 3
255 1 73 LYS QB 1 74 ASN H 3.550 . 3.550 2.458 2.407 2.581 . 0 0 "[ .]" 3
256 1 73 LYS HA 1 75 GLY H 5.040 . 5.040 4.477 4.423 4.537 . 0 0 "[ .]" 3
257 1 73 LYS QB 1 75 GLY H 3.550 . 3.550 2.718 2.665 2.803 . 0 0 "[ .]" 3
258 1 73 LYS HA 1 76 SER H 4.230 . 4.230 3.293 3.166 3.636 . 0 0 "[ .]" 3
259 1 74 ASN HB2 1 75 GLY H 5.500 . 5.500 4.306 4.280 4.334 . 0 0 "[ .]" 3
260 1 76 SER H 1 77 SER H 5.500 . 5.500 3.850 3.624 4.380 . 0 0 "[ .]" 3
261 1 76 SER HA 1 77 SER H 2.500 . 2.500 2.241 2.207 2.265 . 0 0 "[ .]" 3
262 1 77 SER H 1 78 THR H 3.000 . 3.000 2.798 2.597 2.936 . 0 0 "[ .]" 3
263 1 77 SER HA 1 78 THR H 3.550 . 3.550 3.043 2.965 3.229 . 0 0 "[ .]" 3
264 1 78 THR H 1 78 THR MG 3.260 . 3.260 3.378 3.343 3.449 0.189 4 0 "[ .]" 3
265 1 80 PRO QG 1 81 ALA H 4.230 . 4.230 4.249 4.241 4.257 0.027 4 0 "[ .]" 3
266 1 80 PRO QB 1 81 ALA H 3.260 . 3.260 2.491 2.478 2.500 . 0 0 "[ .]" 3
267 1 81 ALA H 1 81 ALA MB 2.500 . 2.500 2.333 2.305 2.366 . 0 0 "[ .]" 3
268 1 81 ALA H 1 82 ALA H 4.620 . 4.620 4.578 4.569 4.601 . 0 0 "[ .]" 3
269 1 81 ALA HA 1 82 ALA H 2.500 . 2.500 2.332 2.304 2.412 . 0 0 "[ .]" 3
270 1 81 ALA MB 1 82 ALA H 2.730 . 2.730 2.721 2.588 2.757 0.027 4 0 "[ .]" 3
271 1 82 ALA H 1 82 ALA MB 2.730 . 2.730 2.657 2.618 2.754 0.024 5 0 "[ .]" 3
272 1 82 ALA H 1 83 THR MG 4.620 . 4.620 3.966 3.731 4.090 . 0 0 "[ .]" 3
273 1 83 THR MG 1 84 CYS H 3.260 . 3.260 3.284 3.276 3.286 0.026 5 0 "[ .]" 3
274 1 85 ALA HA 1 86 GLY H 2.500 . 2.500 2.418 2.315 2.506 0.006 5 0 "[ .]" 3
275 1 85 ALA MB 1 86 GLY H 2.730 . 2.730 2.526 2.290 2.736 0.006 1 0 "[ .]" 3
276 1 85 ALA MB 1 87 SER H 5.500 . 5.500 5.025 4.604 5.450 . 0 0 "[ .]" 3
277 1 86 GLY H 1 87 SER H 4.620 . 4.620 4.388 4.216 4.526 . 0 0 "[ .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 180
_Distance_constraint_stats_list.Viol_count 202
_Distance_constraint_stats_list.Viol_total 36.653
_Distance_constraint_stats_list.Viol_max 0.211
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0363
_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 3 CYS 0.380 0.079 3 0 "[ .]"
1 5 VAL 0.013 0.008 5 0 "[ .]"
1 7 ALA 0.212 0.047 5 0 "[ .]"
1 9 ARG 0.030 0.015 1 0 "[ .]"
1 10 ALA 0.006 0.006 1 0 "[ .]"
1 11 GLU 0.602 0.057 1 0 "[ .]"
1 12 GLU 0.092 0.024 3 0 "[ .]"
1 13 TRP 0.929 0.057 1 0 "[ .]"
1 14 SER 0.115 0.026 4 0 "[ .]"
1 15 ASP 0.000 0.000 . 0 "[ .]"
1 16 GLY 0.054 0.018 2 0 "[ .]"
1 17 PHE 1.757 0.108 1 0 "[ .]"
1 18 ASN 0.000 0.000 . 0 "[ .]"
1 19 VAL 2.481 0.108 2 0 "[ .]"
1 20 THR 0.000 0.000 . 0 "[ .]"
1 21 TYR 2.518 0.211 2 0 "[ .]"
1 23 VAL 0.000 0.000 . 0 "[ .]"
1 25 GLY 0.169 0.038 4 0 "[ .]"
1 26 SER 0.115 0.032 1 0 "[ .]"
1 27 SER 0.161 0.034 2 0 "[ .]"
1 28 ALA 0.169 0.038 4 0 "[ .]"
1 29 TRP 1.182 0.079 3 0 "[ .]"
1 30 THR 0.333 0.072 2 0 "[ .]"
1 31 VAL 0.069 0.020 4 0 "[ .]"
1 32 ASN 0.000 0.000 . 0 "[ .]"
1 33 LEU 0.053 0.025 1 0 "[ .]"
1 35 LEU 0.000 0.000 . 0 "[ .]"
1 36 ASN 0.084 0.023 5 0 "[ .]"
1 37 GLY 0.000 0.000 . 0 "[ .]"
1 39 GLN 0.006 0.006 3 0 "[ .]"
1 42 GLN 0.229 0.057 1 0 "[ .]"
1 43 ALA 0.000 0.000 . 0 "[ .]"
1 44 SER 0.000 0.000 . 0 "[ .]"
1 45 TRP 0.020 0.006 4 0 "[ .]"
1 46 ASN 0.052 0.022 2 0 "[ .]"
1 47 ALA 0.000 0.000 . 0 "[ .]"
1 48 ASN 0.000 0.000 . 0 "[ .]"
1 49 VAL 0.057 0.020 4 0 "[ .]"
1 55 THR 0.000 0.000 . 0 "[ .]"
1 58 VAL 0.000 0.000 . 0 "[ .]"
1 60 PRO 0.000 0.000 . 0 "[ .]"
1 61 ASN 0.000 0.000 . 0 "[ .]"
1 62 GLY 0.000 0.000 . 0 "[ .]"
1 63 SER 0.000 0.000 . 0 "[ .]"
1 64 GLY 0.000 0.000 . 0 "[ .]"
1 65 ASN 0.061 0.022 2 0 "[ .]"
1 66 THR 0.000 0.000 . 0 "[ .]"
1 67 PHE 0.472 0.092 2 0 "[ .]"
1 68 GLY 0.000 0.000 . 0 "[ .]"
1 69 VAL 0.795 0.108 2 0 "[ .]"
1 70 THR 0.097 0.023 3 0 "[ .]"
1 71 VAL 1.068 0.092 2 0 "[ .]"
1 72 MET 0.132 0.053 3 0 "[ .]"
1 73 LYS 0.578 0.108 1 0 "[ .]"
1 74 ASN 0.000 0.000 . 0 "[ .]"
1 75 GLY 0.097 0.040 3 0 "[ .]"
1 76 SER 0.175 0.072 4 0 "[ .]"
1 77 SER 0.148 0.031 2 0 "[ .]"
1 78 THR 0.462 0.072 4 0 "[ .]"
1 79 THR 0.664 0.074 5 0 "[ .]"
1 80 PRO 1.406 0.211 2 0 "[ .]"
1 81 ALA 0.066 0.024 4 0 "[ .]"
1 82 ALA 0.000 0.000 . 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 TRP HA 1 13 TRP HE3 4.230 . 4.230 4.016 3.994 4.037 . 0 0 "[ .]" 4
2 1 13 TRP HH2 1 70 THR HA 5.500 . 5.500 4.088 3.872 4.246 . 0 0 "[ .]" 4
3 1 11 GLU QG 1 13 TRP HH2 4.620 . 4.620 4.375 4.254 4.510 . 0 0 "[ .]" 4
4 1 13 TRP HH2 1 16 GLY HA2 5.500 . 5.500 5.473 5.314 5.518 0.018 2 0 "[ .]" 4
5 1 13 TRP HZ2 1 70 THR HA 4.230 . 4.230 4.246 4.240 4.253 0.023 3 0 "[ .]" 4
6 1 13 TRP HZ2 1 17 PHE HA 4.230 . 4.230 4.252 4.242 4.264 0.034 4 0 "[ .]" 4
7 1 13 TRP HZ2 1 16 GLY HA2 4.230 . 4.230 3.505 3.357 3.574 . 0 0 "[ .]" 4
8 1 13 TRP HZ2 1 72 MET ME 4.620 . 4.620 4.348 3.241 4.629 0.009 2 0 "[ .]" 4
9 1 13 TRP QB 1 14 SER H 2.500 . 2.500 1.877 1.874 1.885 0.026 4 0 "[ .]" 4
10 1 16 GLY H 1 73 LYS QE 3.550 . 3.550 2.775 2.182 3.556 0.006 1 0 "[ .]" 4
11 1 16 GLY H 1 73 LYS QG 5.040 . 5.040 3.288 2.827 4.086 . 0 0 "[ .]" 4
12 1 17 PHE QD 1 72 MET HA 5.500 . 5.500 5.392 5.255 5.503 0.003 1 0 "[ .]" 4
13 1 16 GLY HA3 1 17 PHE QD 4.620 . 4.620 2.742 2.653 2.903 . 0 0 "[ .]" 4
14 1 17 PHE QD 1 73 LYS QE 2.500 . 2.500 2.150 1.886 2.512 0.014 4 0 "[ .]" 4
15 1 17 PHE QD 1 73 LYS QG 3.260 . 3.260 1.995 1.900 2.065 0.000 1 0 "[ .]" 4
16 1 9 ARG HA 1 17 PHE QD 5.500 . 5.500 3.767 3.695 3.822 . 0 0 "[ .]" 4
17 1 17 PHE QD 1 79 THR MG 5.040 . 5.040 4.354 4.217 4.449 . 0 0 "[ .]" 4
18 1 17 PHE QD 1 71 VAL MG1 3.880 . 3.880 3.722 3.415 3.892 0.012 1 0 "[ .]" 4
19 1 17 PHE QE 1 72 MET HA 5.500 . 5.500 5.425 5.220 5.518 0.018 2 0 "[ .]" 4
20 1 17 PHE QE 1 73 LYS QG 4.230 . 4.230 2.574 2.152 2.897 . 0 0 "[ .]" 4
21 1 17 PHE QE 1 80 PRO QB 5.500 . 5.500 4.721 4.687 4.764 . 0 0 "[ .]" 4
22 1 17 PHE QE 1 80 PRO HD3 3.260 . 3.260 1.878 1.847 1.929 0.053 5 0 "[ .]" 4
23 1 17 PHE QE 1 79 THR HA 3.260 . 3.260 1.907 1.884 1.955 0.016 1 0 "[ .]" 4
24 1 17 PHE QE 1 79 THR MG 3.550 . 3.550 3.142 3.049 3.197 . 0 0 "[ .]" 4
25 1 17 PHE H 1 17 PHE QE 5.500 . 5.500 3.864 3.720 4.082 . 0 0 "[ .]" 4
26 1 17 PHE HZ 1 77 SER HA 4.620 . 4.620 4.410 4.194 4.620 . 0 0 "[ .]" 4
27 1 17 PHE HZ 1 79 THR HA 2.730 . 2.730 2.697 2.597 2.738 0.008 2 0 "[ .]" 4
28 1 17 PHE HZ 1 79 THR MG 5.040 . 5.040 4.590 4.493 4.648 . 0 0 "[ .]" 4
29 1 17 PHE HZ 1 19 VAL MG2 4.230 . 4.230 3.804 3.583 3.909 . 0 0 "[ .]" 4
30 1 17 PHE HZ 1 71 VAL MG1 3.260 . 3.260 1.965 1.902 2.059 . 0 0 "[ .]" 4
31 1 18 ASN HA 1 70 THR HA 2.730 . 2.730 2.312 2.131 2.487 . 0 0 "[ .]" 4
32 1 7 ALA MB 1 21 TYR QD 2.730 . 2.730 2.762 2.752 2.777 0.047 5 0 "[ .]" 4
33 1 21 TYR QE 1 79 THR MG 3.260 . 3.260 3.323 3.310 3.334 0.074 5 0 "[ .]" 4
34 1 21 TYR QE 1 82 ALA MB 2.500 . 2.500 1.994 1.931 2.089 . 0 0 "[ .]" 4
35 1 21 TYR QE 1 33 LEU QD 2.500 . 2.500 2.244 2.033 2.494 . 0 0 "[ .]" 4
36 1 21 TYR HH 1 80 PRO QB 2.500 . 2.500 2.700 2.689 2.711 0.211 2 0 "[ .]" 4
37 1 29 TRP HD1 1 65 ASN HA 5.040 . 5.040 4.830 4.581 5.036 . 0 0 "[ .]" 4
38 1 29 TRP HD1 1 60 PRO HG3 5.040 . 5.040 4.051 3.356 4.661 . 0 0 "[ .]" 4
39 1 26 SER QB 1 29 TRP HD1 3.260 . 3.260 3.283 3.278 3.292 0.032 1 0 "[ .]" 4
40 1 27 SER HA 1 29 TRP HD1 2.500 . 2.500 2.532 2.530 2.534 0.034 2 0 "[ .]" 4
41 1 29 TRP HE3 1 31 VAL HA 5.500 . 5.500 3.786 3.650 3.910 . 0 0 "[ .]" 4
42 1 29 TRP HE3 1 30 THR HA 2.730 . 2.730 2.797 2.790 2.802 0.072 2 0 "[ .]" 4
43 1 29 TRP HH2 1 60 PRO HB3 5.500 . 5.500 4.663 4.146 5.014 . 0 0 "[ .]" 4
44 1 29 TRP HH2 1 31 VAL QG 4.620 . 4.620 3.498 3.349 3.633 . 0 0 "[ .]" 4
45 1 29 TRP HZ2 1 65 ASN HA 2.500 . 2.500 1.916 1.892 1.960 0.008 1 0 "[ .]" 4
46 1 29 TRP HZ3 1 58 VAL MG1 2.730 . 2.730 2.147 2.101 2.176 . 0 0 "[ .]" 4
47 1 23 VAL MG2 1 29 TRP HZ3 4.620 . 4.620 3.053 2.897 3.301 . 0 0 "[ .]" 4
48 1 45 TRP HB2 1 45 TRP HD1 2.730 . 2.730 2.680 2.643 2.713 . 0 0 "[ .]" 4
49 1 45 TRP HB3 1 45 TRP HE3 3.260 . 3.260 2.584 2.550 2.626 . 0 0 "[ .]" 4
50 1 45 TRP HH2 1 70 THR HA 5.500 . 5.500 3.983 3.939 4.024 . 0 0 "[ .]" 4
51 1 20 THR MG 1 45 TRP HH2 5.500 . 5.500 5.057 5.009 5.144 . 0 0 "[ .]" 4
52 1 45 TRP HH2 1 70 THR MG 5.040 . 5.040 5.033 4.990 5.046 0.006 4 0 "[ .]" 4
53 1 45 TRP HZ3 1 70 THR HB 5.500 . 5.500 4.355 4.277 4.438 . 0 0 "[ .]" 4
54 1 48 ASN HA 1 48 ASN QD 5.500 . 5.500 3.361 2.343 3.819 . 0 0 "[ .]" 4
55 1 47 ALA HA 1 48 ASN QD 5.500 . 5.500 3.490 3.189 3.966 . 0 0 "[ .]" 4
56 1 23 VAL HB 1 65 ASN H 5.500 . 5.500 5.015 4.903 5.205 . 0 0 "[ .]" 4
57 1 67 PHE HA 1 67 PHE QD 4.230 . 4.230 3.633 3.629 3.635 . 0 0 "[ .]" 4
58 1 67 PHE QD 1 68 GLY HA3 5.500 . 5.500 2.590 2.571 2.623 . 0 0 "[ .]" 4
59 1 33 LEU QD 1 67 PHE QD 5.500 . 5.500 3.526 3.384 3.791 . 0 0 "[ .]" 4
60 1 21 TYR HB3 1 67 PHE QD 5.500 . 5.500 4.089 4.004 4.152 . 0 0 "[ .]" 4
61 1 67 PHE QE 1 69 VAL QG 4.620 . 4.620 2.386 2.269 2.555 . 0 0 "[ .]" 4
62 1 33 LEU QD 1 67 PHE QE 4.230 . 4.230 2.211 2.045 2.434 . 0 0 "[ .]" 4
63 1 73 LYS H 1 73 LYS QG 3.260 . 3.260 2.219 1.899 2.687 0.001 3 0 "[ .]" 4
64 1 73 LYS QG 1 75 GLY H 5.500 . 5.500 4.778 4.654 4.879 . 0 0 "[ .]" 4
65 1 73 LYS QB 1 76 SER H 3.260 . 3.260 2.502 2.205 3.257 . 0 0 "[ .]" 4
66 1 73 LYS QG 1 76 SER H 5.500 . 5.500 4.245 3.529 5.201 . 0 0 "[ .]" 4
67 1 76 SER HA 1 78 THR H 3.550 . 3.550 3.547 3.508 3.622 0.072 4 0 "[ .]" 4
68 1 39 GLN QG 1 78 THR H 5.500 . 5.500 4.867 4.621 5.201 . 0 0 "[ .]" 4
69 1 21 TYR HH 1 80 PRO HD3 3.550 . 3.550 3.563 3.550 3.574 0.024 4 0 "[ .]" 4
70 1 19 VAL HB 1 21 TYR HH 3.550 . 3.550 1.860 1.854 1.863 0.046 5 0 "[ .]" 4
71 1 7 ALA MB 1 21 TYR HH 3.550 . 3.550 3.487 3.454 3.507 . 0 0 "[ .]" 4
72 1 19 VAL MG2 1 21 TYR HH 3.550 . 3.550 3.639 3.629 3.658 0.108 2 0 "[ .]" 4
73 1 19 VAL MG1 1 21 TYR HH 3.260 . 3.260 3.102 3.042 3.130 . 0 0 "[ .]" 4
74 1 13 TRP QB 1 13 TRP HD1 3.550 . 3.550 2.570 2.561 2.577 . 0 0 "[ .]" 4
75 1 25 GLY QA 1 29 TRP HD1 4.230 . 4.230 4.264 4.260 4.268 0.038 4 0 "[ .]" 4
76 1 13 TRP HE3 1 17 PHE HA 4.230 . 4.230 3.654 3.589 3.708 . 0 0 "[ .]" 4
77 1 13 TRP QB 1 13 TRP HE3 2.730 . 2.730 2.585 2.578 2.599 . 0 0 "[ .]" 4
78 1 3 CYS HB2 1 29 TRP HD1 2.500 . 2.500 2.576 2.571 2.579 0.079 3 0 "[ .]" 4
79 1 11 GLU HB2 1 13 TRP HE3 3.880 . 3.880 1.862 1.851 1.871 0.049 2 0 "[ .]" 4
80 1 11 GLU HB3 1 13 TRP HE3 3.260 . 3.260 1.943 1.914 1.990 . 0 0 "[ .]" 4
81 1 11 GLU QG 1 13 TRP HZ2 5.500 . 5.500 5.472 5.297 5.553 0.053 3 0 "[ .]" 4
82 1 13 TRP HZ2 1 70 THR MG 2.500 . 2.500 2.058 1.935 2.198 . 0 0 "[ .]" 4
83 1 5 VAL QG 1 29 TRP HE3 2.500 . 2.500 1.914 1.892 1.954 0.008 5 0 "[ .]" 4
84 1 29 TRP HE3 1 33 LEU QD 5.500 . 5.500 4.834 4.464 5.332 . 0 0 "[ .]" 4
85 1 23 VAL MG1 1 29 TRP HE3 4.620 . 4.620 3.642 3.464 3.846 . 0 0 "[ .]" 4
86 1 44 SER HA 1 45 TRP HE3 3.550 . 3.550 3.029 2.875 3.193 . 0 0 "[ .]" 4
87 1 44 SER HA 1 45 TRP HD1 3.880 . 3.880 3.484 3.347 3.615 . 0 0 "[ .]" 4
88 1 45 TRP HD1 1 46 ASN HA 5.040 . 5.040 3.562 3.509 3.611 . 0 0 "[ .]" 4
89 1 45 TRP HB3 1 45 TRP HD1 2.730 . 2.730 1.986 1.896 2.058 0.004 1 0 "[ .]" 4
90 1 45 TRP HD1 1 68 GLY HA2 5.040 . 5.040 4.056 3.978 4.119 . 0 0 "[ .]" 4
91 1 43 ALA MB 1 45 TRP HE3 2.500 . 2.500 2.290 2.093 2.499 . 0 0 "[ .]" 4
92 1 17 PHE HZ 1 78 THR HA 4.620 . 4.620 4.663 4.622 4.685 0.065 1 0 "[ .]" 4
93 1 17 PHE QB 1 17 PHE HZ 5.500 . 5.500 4.446 4.371 4.556 . 0 0 "[ .]" 4
94 1 17 PHE HZ 1 39 GLN HB2 5.500 . 5.500 3.861 3.764 3.944 . 0 0 "[ .]" 4
95 1 17 PHE HZ 1 39 GLN HB3 5.040 . 5.040 3.801 3.708 3.874 . 0 0 "[ .]" 4
96 1 17 PHE HZ 1 19 VAL MG1 2.730 . 2.730 2.785 2.768 2.799 0.069 3 0 "[ .]" 4
97 1 13 TRP HH2 1 17 PHE HA 4.230 . 4.230 3.801 3.703 3.901 . 0 0 "[ .]" 4
98 1 11 GLU HB2 1 13 TRP HH2 3.000 . 3.000 3.046 3.027 3.057 0.057 1 0 "[ .]" 4
99 1 10 ALA MB 1 13 TRP HH2 4.230 . 4.230 3.374 3.138 3.521 . 0 0 "[ .]" 4
100 1 17 PHE QE 1 35 LEU HA 3.260 . 3.260 2.358 1.911 2.532 . 0 0 "[ .]" 4
101 1 17 PHE QE 1 78 THR HA 4.620 . 4.620 4.245 4.219 4.279 . 0 0 "[ .]" 4
102 1 17 PHE QE 1 76 SER QB 3.550 . 3.550 2.534 2.461 2.599 . 0 0 "[ .]" 4
103 1 17 PHE QE 1 76 SER QB 3.550 . 3.550 2.301 1.894 2.916 0.006 3 0 "[ .]" 4
104 1 9 ARG QD 1 17 PHE QE 2.730 . 2.730 2.191 2.130 2.269 . 0 0 "[ .]" 4
105 1 17 PHE QE 1 39 GLN HB2 5.040 . 5.040 3.464 3.440 3.533 . 0 0 "[ .]" 4
106 1 17 PHE QE 1 19 VAL HB 3.880 . 3.880 2.860 2.698 3.005 . 0 0 "[ .]" 4
107 1 9 ARG QG 1 17 PHE QE 2.730 . 2.730 2.484 2.132 2.737 0.007 2 0 "[ .]" 4
108 1 17 PHE QE 1 19 VAL MG2 2.730 . 2.730 1.839 1.829 1.846 0.071 5 0 "[ .]" 4
109 1 17 PHE QE 1 35 LEU QD 5.500 . 5.500 3.414 3.291 3.589 . 0 0 "[ .]" 4
110 1 33 LEU QD 1 67 PHE QE 3.260 . 3.260 2.211 2.045 2.433 . 0 0 "[ .]" 4
111 1 19 VAL MG1 1 67 PHE QE 2.730 . 2.730 2.813 2.804 2.822 0.092 2 0 "[ .]" 4
112 1 44 SER HA 1 61 ASN QD 5.500 . 5.500 4.301 3.982 4.435 . 0 0 "[ .]" 4
113 1 21 TYR HB2 1 67 PHE QD 3.000 . 3.000 2.265 2.221 2.368 . 0 0 "[ .]" 4
114 1 31 VAL QG 1 67 PHE QD 3.880 . 3.880 3.049 2.966 3.184 . 0 0 "[ .]" 4
115 1 17 PHE HA 1 17 PHE QD 3.550 . 3.550 2.835 2.394 3.041 . 0 0 "[ .]" 4
116 1 17 PHE QD 1 73 LYS HA 5.040 . 5.040 3.485 3.337 3.629 . 0 0 "[ .]" 4
117 1 12 GLU QG 1 17 PHE QD 5.500 . 5.500 3.497 3.349 3.688 . 0 0 "[ .]" 4
118 1 9 ARG HB3 1 17 PHE QD 5.040 . 5.040 4.061 3.865 4.173 . 0 0 "[ .]" 4
119 1 17 PHE QD 1 19 VAL HB 3.550 . 3.550 3.636 3.612 3.658 0.108 1 0 "[ .]" 4
120 1 9 ARG QG 1 17 PHE QD 2.730 . 2.730 1.948 1.885 2.025 0.015 1 0 "[ .]" 4
121 1 9 ARG QG 1 17 PHE QD 4.620 . 4.620 1.975 1.894 2.040 0.006 1 0 "[ .]" 4
122 1 17 PHE QD 1 19 VAL MG2 2.730 . 2.730 1.915 1.881 1.996 0.019 2 0 "[ .]" 4
123 1 17 PHE QD 1 19 VAL MG1 3.260 . 3.260 3.277 3.269 3.282 0.022 1 0 "[ .]" 4
124 1 29 TRP HH2 1 31 VAL HA 5.500 . 5.500 4.889 4.799 4.955 . 0 0 "[ .]" 4
125 1 29 TRP HH2 1 47 ALA HA 5.500 . 5.500 2.612 2.088 2.827 . 0 0 "[ .]" 4
126 1 23 VAL HB 1 29 TRP HH2 4.620 . 4.620 2.928 2.476 3.220 . 0 0 "[ .]" 4
127 1 31 VAL QG 1 67 PHE QE 3.880 . 3.880 1.903 1.880 1.970 0.020 4 0 "[ .]" 4
128 1 18 ASN HA 1 70 THR HB 5.040 . 5.040 3.965 3.742 4.064 . 0 0 "[ .]" 4
129 1 36 ASN QD 1 77 SER QB 3.550 . 3.550 3.228 1.879 3.573 0.023 5 0 "[ .]" 4
130 1 21 TYR QD 1 47 ALA MB 2.730 . 2.730 2.481 2.440 2.509 . 0 0 "[ .]" 4
131 1 19 VAL MG1 1 21 TYR QD 2.730 . 2.730 1.899 1.873 1.942 0.027 4 0 "[ .]" 4
132 1 9 ARG QG 1 10 ALA H 2.500 . 2.500 2.220 2.183 2.264 . 0 0 "[ .]" 4
133 1 11 GLU H 1 13 TRP HH2 5.500 . 5.500 4.280 4.057 4.519 . 0 0 "[ .]" 4
134 1 12 GLU H 1 13 TRP HE3 4.620 . 4.620 2.426 2.382 2.476 . 0 0 "[ .]" 4
135 1 11 GLU HB2 1 12 GLU H 3.260 . 3.260 3.278 3.268 3.284 0.024 3 0 "[ .]" 4
136 1 13 TRP H 1 13 TRP HE3 3.550 . 3.550 3.554 3.530 3.565 0.015 4 0 "[ .]" 4
137 1 13 TRP H 1 13 TRP HH2 5.500 . 5.500 4.883 4.861 4.898 . 0 0 "[ .]" 4
138 1 13 TRP H 1 13 TRP QB 3.880 . 3.880 3.307 3.287 3.326 . 0 0 "[ .]" 4
139 1 14 SER H 1 14 SER HA 2.500 . 2.500 2.244 2.202 2.354 . 0 0 "[ .]" 4
140 1 15 ASP H 1 73 LYS QB 5.500 . 5.500 2.904 2.563 3.333 . 0 0 "[ .]" 4
141 1 16 GLY H 1 73 LYS QB 3.880 . 3.880 2.881 2.696 3.222 . 0 0 "[ .]" 4
142 1 17 PHE H 1 73 LYS QB 5.040 . 5.040 3.338 3.200 3.544 . 0 0 "[ .]" 4
143 1 17 PHE H 1 71 VAL HB 3.260 . 3.260 2.663 2.359 2.962 . 0 0 "[ .]" 4
144 1 13 TRP HZ2 1 18 ASN H 5.040 . 5.040 3.659 3.338 4.137 . 0 0 "[ .]" 4
145 1 17 PHE QB 1 18 ASN H 2.730 . 2.730 2.243 2.188 2.294 . 0 0 "[ .]" 4
146 1 11 GLU HB2 1 18 ASN H 5.500 . 5.500 2.486 2.416 2.563 . 0 0 "[ .]" 4
147 1 11 GLU HB3 1 18 ASN H 5.040 . 5.040 3.793 3.714 3.877 . 0 0 "[ .]" 4
148 1 46 ASN HA 1 62 GLY H 3.000 . 3.000 2.452 2.385 2.489 . 0 0 "[ .]" 4
149 1 46 ASN HA 1 63 SER H 3.880 . 3.880 2.816 2.715 2.929 . 0 0 "[ .]" 4
150 1 27 SER QB 1 64 GLY H 3.880 . 3.880 3.620 3.523 3.709 . 0 0 "[ .]" 4
151 1 62 GLY QA 1 64 GLY H 4.620 . 4.620 4.043 3.977 4.088 . 0 0 "[ .]" 4
152 1 27 SER QB 1 65 ASN H 5.040 . 5.040 4.489 4.309 4.657 . 0 0 "[ .]" 4
153 1 46 ASN QB 1 65 ASN H 3.550 . 3.550 3.556 3.533 3.572 0.022 2 0 "[ .]" 4
154 1 65 ASN H 1 65 ASN HB2 2.730 . 2.730 2.404 2.288 2.565 . 0 0 "[ .]" 4
155 1 73 LYS QB 1 75 GLY H 3.260 . 3.260 2.686 2.628 2.767 . 0 0 "[ .]" 4
156 1 39 GLN HA 1 76 SER H 3.550 . 3.550 2.775 2.622 2.839 . 0 0 "[ .]" 4
157 1 37 GLY QA 1 76 SER H 3.000 . 3.000 2.777 2.649 2.831 . 0 0 "[ .]" 4
158 1 75 GLY QA 1 76 SER H 2.500 . 2.500 2.491 2.358 2.540 0.040 3 0 "[ .]" 4
159 1 36 ASN HB2 1 76 SER H 5.500 . 5.500 4.391 4.249 4.566 . 0 0 "[ .]" 4
160 1 73 LYS QB 1 76 SER H 3.260 . 3.260 2.463 2.163 3.190 . 0 0 "[ .]" 4
161 1 76 SER QB 1 77 SER H 2.730 . 2.730 2.503 2.222 2.670 . 0 0 "[ .]" 4
162 1 17 PHE QE 1 78 THR H 3.880 . 3.880 2.773 2.526 3.373 . 0 0 "[ .]" 4
163 1 78 THR H 1 78 THR HA 3.000 . 3.000 2.896 2.699 2.945 . 0 0 "[ .]" 4
164 1 76 SER QB 1 78 THR H 2.500 . 2.500 2.168 2.096 2.365 . 0 0 "[ .]" 4
165 1 77 SER HA 1 79 THR H 5.040 . 5.040 4.597 4.567 4.618 . 0 0 "[ .]" 4
166 1 78 THR HA 1 79 THR H 2.500 . 2.500 2.054 2.030 2.072 . 0 0 "[ .]" 4
167 1 77 SER QB 1 79 THR H 4.230 . 4.230 4.153 3.788 4.261 0.031 2 0 "[ .]" 4
168 1 78 THR MG 1 79 THR H 2.730 . 2.730 2.584 2.466 2.759 0.029 4 0 "[ .]" 4
169 1 17 PHE QE 1 73 LYS H 5.500 . 5.500 3.775 3.465 4.108 . 0 0 "[ .]" 4
170 1 39 GLN HA 1 73 LYS H 5.500 . 5.500 4.478 4.012 4.772 . 0 0 "[ .]" 4
171 1 71 VAL HA 1 73 LYS H 5.040 . 5.040 4.773 4.712 4.854 . 0 0 "[ .]" 4
172 1 72 MET QG 1 73 LYS H 5.500 . 5.500 4.087 3.976 4.133 . 0 0 "[ .]" 4
173 1 73 LYS H 1 73 LYS QB 2.500 . 2.500 1.984 1.866 2.158 0.034 3 0 "[ .]" 4
174 1 72 MET HA 1 74 ASN H 5.040 . 5.040 3.867 3.776 4.018 . 0 0 "[ .]" 4
175 1 39 GLN HA 1 74 ASN H 5.040 . 5.040 4.185 4.050 4.261 . 0 0 "[ .]" 4
176 1 72 MET QG 1 74 ASN H 3.880 . 3.880 3.263 3.251 3.271 . 0 0 "[ .]" 4
177 1 73 LYS QB 1 74 ASN H 2.730 . 2.730 2.424 2.367 2.552 . 0 0 "[ .]" 4
178 1 21 TYR QE 1 69 VAL HB 4.230 . 4.230 3.818 3.744 3.877 . 0 0 "[ .]" 4
179 1 7 ALA MB 1 21 TYR QE 2.500 . 2.500 1.897 1.875 1.933 0.025 1 0 "[ .]" 4
180 1 19 VAL MG1 1 21 TYR QE 2.730 . 2.730 1.853 1.836 1.865 0.064 1 0 "[ .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 17
_Distance_constraint_stats_list.Viol_total 0.877
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0103
_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 6 THR 0.000 0.000 . 0 "[ .]"
1 8 THR 0.000 0.000 . 0 "[ .]"
1 11 GLU 0.000 0.000 . 0 "[ .]"
1 13 TRP 0.000 0.000 . 0 "[ .]"
1 15 ASP 0.008 0.008 4 0 "[ .]"
1 16 GLY 0.000 0.000 . 0 "[ .]"
1 17 PHE 0.000 0.000 . 0 "[ .]"
1 18 ASN 0.000 0.000 . 0 "[ .]"
1 19 VAL 0.001 0.001 5 0 "[ .]"
1 20 THR 0.000 0.000 . 0 "[ .]"
1 21 TYR 0.000 0.000 . 0 "[ .]"
1 22 SER 0.000 0.000 . 0 "[ .]"
1 23 VAL 0.000 0.000 . 0 "[ .]"
1 31 VAL 0.068 0.023 1 0 "[ .]"
1 32 ASN 0.055 0.019 1 0 "[ .]"
1 33 LEU 0.003 0.003 2 0 "[ .]"
1 34 ALA 0.000 0.000 . 0 "[ .]"
1 40 THR 0.000 0.000 . 0 "[ .]"
1 43 ALA 0.000 0.000 . 0 "[ .]"
1 45 TRP 0.006 0.006 2 0 "[ .]"
1 48 ASN 0.000 0.000 . 0 "[ .]"
1 50 THR 0.034 0.018 2 0 "[ .]"
1 56 ARG 0.003 0.003 2 0 "[ .]"
1 57 THR 0.034 0.018 2 0 "[ .]"
1 58 VAL 0.068 0.023 1 0 "[ .]"
1 59 THR 0.000 0.000 . 0 "[ .]"
1 65 ASN 0.000 0.000 . 0 "[ .]"
1 67 PHE 0.000 0.000 . 0 "[ .]"
1 68 GLY 0.006 0.006 2 0 "[ .]"
1 69 VAL 0.001 0.001 5 0 "[ .]"
1 70 THR 0.000 0.000 . 0 "[ .]"
1 71 VAL 0.000 0.000 . 0 "[ .]"
1 72 MET 0.000 0.000 . 0 "[ .]"
1 73 LYS 0.008 0.008 4 0 "[ .]"
1 81 ALA 0.000 0.000 . 0 "[ .]"
1 83 THR 0.055 0.019 1 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 THR H 1 22 SER O 2.300 . 2.500 2.088 2.085 2.092 . 0 0 "[ .]" 5
2 1 6 THR N 1 22 SER O 3.300 2.500 3.500 2.892 2.809 2.936 . 0 0 "[ .]" 5
3 1 13 TRP H 1 16 GLY O 2.300 . 2.500 2.252 2.180 2.344 . 0 0 "[ .]" 5
4 1 13 TRP N 1 16 GLY O 3.300 2.500 3.500 3.066 3.012 3.131 . 0 0 "[ .]" 5
5 1 17 PHE H 1 71 VAL O 2.300 . 2.500 2.332 2.172 2.475 . 0 0 "[ .]" 5
6 1 17 PHE N 1 71 VAL O 3.300 2.500 3.500 3.168 2.957 3.356 . 0 0 "[ .]" 5
7 1 11 GLU O 1 18 ASN H 2.300 . 2.500 2.204 2.156 2.265 . 0 0 "[ .]" 5
8 1 11 GLU O 1 18 ASN N 3.300 2.500 3.500 2.903 2.887 2.928 . 0 0 "[ .]" 5
9 1 19 VAL H 1 69 VAL O 2.300 . 2.500 2.149 2.098 2.264 . 0 0 "[ .]" 5
10 1 19 VAL N 1 69 VAL O 3.300 2.500 3.500 3.035 2.957 3.158 . 0 0 "[ .]" 5
11 1 8 THR O 1 20 THR H 2.300 . 2.500 2.233 2.097 2.458 . 0 0 "[ .]" 5
12 1 8 THR O 1 20 THR N 3.300 2.500 3.500 3.137 2.964 3.358 . 0 0 "[ .]" 5
13 1 21 TYR H 1 67 PHE O 2.300 . 2.500 2.310 2.272 2.361 . 0 0 "[ .]" 5
14 1 21 TYR N 1 67 PHE O 3.300 2.500 3.500 2.968 2.920 3.018 . 0 0 "[ .]" 5
15 1 6 THR O 1 22 SER H 2.300 . 2.500 2.109 2.095 2.145 . 0 0 "[ .]" 5
16 1 6 THR O 1 22 SER N 3.300 2.500 3.500 2.835 2.807 2.871 . 0 0 "[ .]" 5
17 1 23 VAL H 1 65 ASN O 2.300 . 2.500 2.344 2.200 2.497 . 0 0 "[ .]" 5
18 1 23 VAL N 1 65 ASN O 3.300 2.500 3.500 3.126 2.971 3.300 . 0 0 "[ .]" 5
19 1 32 ASN H 1 83 THR O 2.300 . 2.500 2.143 2.087 2.334 . 0 0 "[ .]" 5
20 1 32 ASN N 1 83 THR O 3.300 2.500 3.500 2.963 2.902 3.160 . 0 0 "[ .]" 5
21 1 33 LEU H 1 56 ARG O 2.300 . 2.500 2.263 2.094 2.503 0.003 2 0 "[ .]" 5
22 1 33 LEU N 1 56 ARG O 3.300 2.500 3.500 3.078 2.941 3.262 . 0 0 "[ .]" 5
23 1 34 ALA H 1 81 ALA O 2.300 . 2.500 2.093 2.090 2.100 . 0 0 "[ .]" 5
24 1 34 ALA N 1 81 ALA O 3.300 2.500 3.500 2.901 2.860 2.998 . 0 0 "[ .]" 5
25 1 45 TRP H 1 68 GLY O 2.300 . 2.500 2.474 2.425 2.506 0.006 2 0 "[ .]" 5
26 1 45 TRP N 1 68 GLY O 3.300 2.500 3.500 3.028 2.997 3.072 . 0 0 "[ .]" 5
27 1 48 ASN H 1 59 THR O 2.300 . 2.500 2.282 2.105 2.476 . 0 0 "[ .]" 5
28 1 48 ASN N 1 59 THR O 3.300 2.500 3.500 3.055 2.838 3.241 . 0 0 "[ .]" 5
29 1 50 THR H 1 57 THR O 2.300 . 2.500 2.406 2.106 2.506 0.006 4 0 "[ .]" 5
30 1 50 THR N 1 57 THR O 3.300 2.500 3.500 3.298 3.026 3.430 . 0 0 "[ .]" 5
31 1 33 LEU O 1 56 ARG H 2.300 . 2.500 2.099 2.096 2.102 . 0 0 "[ .]" 5
32 1 33 LEU O 1 56 ARG N 3.300 2.500 3.500 2.980 2.908 3.044 . 0 0 "[ .]" 5
33 1 50 THR O 1 57 THR H 2.300 . 2.500 2.252 2.105 2.518 0.018 2 0 "[ .]" 5
34 1 50 THR O 1 57 THR N 3.300 2.500 3.500 3.065 2.880 3.404 . 0 0 "[ .]" 5
35 1 31 VAL O 1 58 VAL H 2.300 . 2.500 2.514 2.509 2.523 0.023 1 0 "[ .]" 5
36 1 31 VAL O 1 58 VAL N 3.300 2.500 3.500 3.287 3.269 3.300 . 0 0 "[ .]" 5
37 1 21 TYR O 1 67 PHE H 2.300 . 2.500 2.198 2.109 2.263 . 0 0 "[ .]" 5
38 1 21 TYR O 1 67 PHE N 3.300 2.500 3.500 2.903 2.818 2.983 . 0 0 "[ .]" 5
39 1 45 TRP O 1 68 GLY H 2.300 . 2.500 2.378 2.349 2.407 . 0 0 "[ .]" 5
40 1 45 TRP O 1 68 GLY N 3.300 2.500 3.500 3.279 3.242 3.319 . 0 0 "[ .]" 5
41 1 19 VAL O 1 69 VAL H 2.300 . 2.500 2.441 2.332 2.501 0.001 5 0 "[ .]" 5
42 1 19 VAL O 1 69 VAL N 3.300 2.500 3.500 3.213 3.130 3.272 . 0 0 "[ .]" 5
43 1 43 ALA O 1 70 THR H 2.300 . 2.500 2.145 2.103 2.200 . 0 0 "[ .]" 5
44 1 43 ALA O 1 70 THR N 3.300 2.500 3.500 2.984 2.939 3.027 . 0 0 "[ .]" 5
45 1 17 PHE O 1 71 VAL H 2.300 . 2.500 2.086 2.064 2.097 . 0 0 "[ .]" 5
46 1 17 PHE O 1 71 VAL N 3.300 2.500 3.500 3.010 2.933 3.054 . 0 0 "[ .]" 5
47 1 40 THR O 1 72 MET H 2.300 . 2.500 2.104 2.100 2.108 . 0 0 "[ .]" 5
48 1 40 THR O 1 72 MET N 3.300 2.500 3.500 3.048 3.003 3.072 . 0 0 "[ .]" 5
49 1 15 ASP O 1 73 LYS H 2.300 . 2.500 2.329 2.127 2.508 0.008 4 0 "[ .]" 5
50 1 15 ASP O 1 73 LYS N 3.300 2.500 3.500 3.037 2.855 3.264 . 0 0 "[ .]" 5
51 1 32 ASN O 1 83 THR H 2.300 . 2.500 2.508 2.486 2.519 0.019 1 0 "[ .]" 5
52 1 32 ASN O 1 83 THR N 3.300 2.500 3.500 3.408 3.365 3.440 . 0 0 "[ .]" 5
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 12:42:52 AM GMT (wattos1)