NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570209 |
2mh4   |
19617 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mh4
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 489
_Distance_constraint_stats_list.Viol_count 772
_Distance_constraint_stats_list.Viol_total 492.804
_Distance_constraint_stats_list.Viol_max 0.315
_Distance_constraint_stats_list.Viol_rms 0.0146
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0319
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.274 0.124 18 0 "[ . 1 . 2]"
1 4 ALA 0.107 0.062 18 0 "[ . 1 . 2]"
1 5 LEU 0.345 0.195 18 0 "[ . 1 . 2]"
1 6 VAL 1.554 0.221 9 0 "[ . 1 . 2]"
1 7 SER 0.853 0.139 10 0 "[ . 1 . 2]"
1 8 ILE 0.826 0.120 8 0 "[ . 1 . 2]"
1 9 SER 0.057 0.023 18 0 "[ . 1 . 2]"
1 10 VAL 0.984 0.098 9 0 "[ . 1 . 2]"
1 11 SER 0.694 0.278 19 0 "[ . 1 . 2]"
1 13 THR 0.267 0.028 15 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.881 0.132 16 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.414 0.067 16 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.021 0.009 16 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.426 0.097 16 0 "[ . 1 . 2]"
1 22 GLN 0.084 0.023 8 0 "[ . 1 . 2]"
1 23 GLU 0.003 0.003 12 0 "[ . 1 . 2]"
1 24 ASN 0.114 0.056 16 0 "[ . 1 . 2]"
1 25 PHE 1.927 0.247 19 0 "[ . 1 . 2]"
1 26 LYS 0.608 0.278 19 0 "[ . 1 . 2]"
1 27 ALA 0.086 0.029 1 0 "[ . 1 . 2]"
1 28 THR 0.496 0.097 9 0 "[ . 1 . 2]"
1 29 GLY 0.356 0.071 12 0 "[ . 1 . 2]"
1 30 ILE 0.519 0.075 10 0 "[ . 1 . 2]"
1 31 PHE 1.564 0.221 9 0 "[ . 1 . 2]"
1 32 THR 1.147 0.202 10 0 "[ . 1 . 2]"
1 33 ASP 0.331 0.195 18 0 "[ . 1 . 2]"
1 34 ASN 1.062 0.207 20 0 "[ . 1 . 2]"
1 35 SER 1.695 0.202 10 0 "[ . 1 . 2]"
1 36 ASN 0.561 0.207 20 0 "[ . 1 . 2]"
1 37 SER 0.909 0.131 16 0 "[ . 1 . 2]"
1 38 ASP 0.543 0.091 16 0 "[ . 1 . 2]"
1 39 ILE 1.193 0.225 17 0 "[ . 1 . 2]"
1 40 THR 0.917 0.315 8 0 "[ . 1 . 2]"
1 41 ASP 0.816 0.225 17 0 "[ . 1 . 2]"
1 42 GLN 1.101 0.315 8 0 "[ . 1 . 2]"
1 43 VAL 0.692 0.220 3 0 "[ . 1 . 2]"
1 44 THR 0.678 0.091 13 0 "[ . 1 . 2]"
1 45 TRP 0.319 0.057 15 0 "[ . 1 . 2]"
1 46 ASP 0.080 0.023 9 0 "[ . 1 . 2]"
1 47 SER 0.916 0.067 13 0 "[ . 1 . 2]"
1 48 SER 1.762 0.146 14 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.038 0.015 14 0 "[ . 1 . 2]"
1 52 ILE 0.396 0.107 10 0 "[ . 1 . 2]"
1 53 LEU 1.210 0.146 14 0 "[ . 1 . 2]"
1 54 SER 0.043 0.024 15 0 "[ . 1 . 2]"
1 55 ILE 0.283 0.065 17 0 "[ . 1 . 2]"
1 56 SER 0.293 0.061 13 0 "[ . 1 . 2]"
1 57 ASN 0.636 0.061 15 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 1.554 0.196 4 0 "[ . 1 . 2]"
1 61 SER 2.623 0.196 4 0 "[ . 1 . 2]"
1 62 HIS 2.086 0.247 19 0 "[ . 1 . 2]"
1 63 GLY 0.116 0.116 13 0 "[ . 1 . 2]"
1 64 LEU 1.105 0.151 19 0 "[ . 1 . 2]"
1 65 ALA 0.114 0.056 16 0 "[ . 1 . 2]"
1 66 SER 0.045 0.024 15 0 "[ . 1 . 2]"
1 67 THR 0.266 0.038 15 0 "[ . 1 . 2]"
1 68 LEU 0.851 0.107 10 0 "[ . 1 . 2]"
1 69 ASN 0.046 0.024 4 0 "[ . 1 . 2]"
1 70 GLN 0.063 0.017 14 0 "[ . 1 . 2]"
1 71 GLY 0.152 0.022 7 0 "[ . 1 . 2]"
1 72 ASN 0.031 0.013 7 0 "[ . 1 . 2]"
1 73 VAL 0.822 0.135 16 0 "[ . 1 . 2]"
1 74 LYS 0.242 0.042 15 0 "[ . 1 . 2]"
1 75 VAL 0.753 0.056 19 0 "[ . 1 . 2]"
1 76 THR 0.725 0.067 13 0 "[ . 1 . 2]"
1 77 ALA 0.526 0.048 15 0 "[ . 1 . 2]"
1 78 SER 0.572 0.091 13 0 "[ . 1 . 2]"
1 79 ILE 0.201 0.090 5 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.705 0.122 5 0 "[ . 1 . 2]"
1 82 ILE 0.239 0.122 5 0 "[ . 1 . 2]"
1 83 GLN 1.484 0.120 8 0 "[ . 1 . 2]"
1 84 GLY 0.413 0.048 15 0 "[ . 1 . 2]"
1 85 SER 0.048 0.030 14 0 "[ . 1 . 2]"
1 86 THR 0.342 0.056 19 0 "[ . 1 . 2]"
1 87 ASP 1.224 0.132 16 0 "[ . 1 . 2]"
1 88 PHE 0.062 0.013 7 0 "[ . 1 . 2]"
1 89 LYS 0.216 0.037 15 0 "[ . 1 . 2]"
1 90 VAL 0.161 0.020 15 0 "[ . 1 . 2]"
1 91 THR 0.413 0.067 16 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HB2 1 3 ALA H 1.800 . 6.000 2.974 2.824 3.294 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 ALA H 1.800 . 4.000 2.274 2.189 2.321 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA MB 1 4 ALA H 1.800 . 5.300 2.869 1.925 3.702 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA HA 1 4 ALA H 1.800 . 3.800 2.559 2.142 3.572 . 0 0 "[ . 1 . 2]" 1
5 1 4 ALA H 1 5 LEU H 1.800 . 6.200 4.398 4.033 4.616 . 0 0 "[ . 1 . 2]" 1
6 1 4 ALA H 1 32 THR H 1.800 . 6.000 4.982 2.708 6.006 0.006 20 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 33 ASP HB3 1.800 . 6.500 5.086 2.524 6.562 0.062 18 0 "[ . 1 . 2]" 1
8 1 4 ALA MB 1 5 LEU H 1.800 . 5.300 3.100 2.749 3.416 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA HA 1 5 LEU H 1.800 . 3.800 2.188 2.142 2.243 . 0 0 "[ . 1 . 2]" 1
10 1 5 LEU H 1 5 LEU MD2 1.800 . 6.300 4.081 2.218 4.989 . 0 0 "[ . 1 . 2]" 1
11 1 5 LEU H 1 32 THR H 1.800 . 5.300 4.555 2.423 5.345 0.045 8 0 "[ . 1 . 2]" 1
12 1 5 LEU H 1 33 ASP H 1.800 . 6.300 5.340 3.185 6.495 0.195 18 0 "[ . 1 . 2]" 1
13 1 5 LEU HA 1 6 VAL H 1.800 . 4.800 2.519 2.139 3.529 . 0 0 "[ . 1 . 2]" 1
14 1 6 VAL H 1 6 VAL MG1 1.800 . 6.300 3.408 2.136 3.947 . 0 0 "[ . 1 . 2]" 1
15 1 6 VAL H 1 81 GLY H 1.800 . 6.000 5.987 5.184 6.094 0.094 19 0 "[ . 1 . 2]" 1
16 1 6 VAL HB 1 7 SER H 1.800 . 5.400 2.906 1.935 4.543 . 0 0 "[ . 1 . 2]" 1
17 1 6 VAL HA 1 7 SER H 1.800 . 3.800 3.131 2.175 3.571 . 0 0 "[ . 1 . 2]" 1
18 1 6 VAL H 1 7 SER H 1.800 . 6.000 2.889 2.005 4.322 . 0 0 "[ . 1 . 2]" 1
19 1 6 VAL MG1 1 7 SER H 1.800 . 6.000 3.435 2.680 4.343 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER H 1 32 THR H 1.800 . 6.500 5.625 4.343 6.396 . 0 0 "[ . 1 . 2]" 1
21 1 7 SER H 1 31 PHE HA 1.800 . 4.500 3.787 3.079 4.519 0.019 14 0 "[ . 1 . 2]" 1
22 1 7 SER H 1 31 PHE HB3 1.800 . 5.500 5.239 4.241 5.639 0.139 10 0 "[ . 1 . 2]" 1
23 1 7 SER H 1 31 PHE H 1.800 . 6.300 5.360 4.694 5.875 . 0 0 "[ . 1 . 2]" 1
24 1 7 SER H 1 30 ILE HB 1.800 . 6.100 4.692 3.097 5.864 . 0 0 "[ . 1 . 2]" 1
25 1 7 SER H 1 30 ILE MG 1.800 . 5.800 4.817 2.846 5.839 0.039 15 0 "[ . 1 . 2]" 1
26 1 7 SER H 1 30 ILE MD 1.800 . 5.800 4.839 3.510 5.828 0.028 12 0 "[ . 1 . 2]" 1
27 1 7 SER H 1 30 ILE H 1.800 . 3.800 3.637 3.138 3.875 0.075 10 0 "[ . 1 . 2]" 1
28 1 7 SER HA 1 8 ILE H 1.800 . 3.800 2.327 2.138 2.613 . 0 0 "[ . 1 . 2]" 1
29 1 7 SER HB2 1 8 ILE H 1.800 . 5.600 3.692 2.135 4.598 . 0 0 "[ . 1 . 2]" 1
30 1 7 SER HB3 1 8 ILE H 1.800 . 5.600 3.263 2.077 4.419 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE HB 1 9 SER H 1.800 . 5.300 3.485 2.621 4.246 . 0 0 "[ . 1 . 2]" 1
32 1 8 ILE HA 1 9 SER H 1.800 . 3.800 2.248 2.139 2.315 . 0 0 "[ . 1 . 2]" 1
33 1 8 ILE MG 1 9 SER H 1.800 . 6.300 3.176 1.906 4.117 . 0 0 "[ . 1 . 2]" 1
34 1 9 SER H 1 29 GLY H 1.800 . 6.300 4.858 4.299 5.593 . 0 0 "[ . 1 . 2]" 1
35 1 9 SER H 1 27 ALA HA 1.800 . 5.900 4.664 4.204 5.214 . 0 0 "[ . 1 . 2]" 1
36 1 9 SER H 1 28 THR H 1.800 . 4.100 3.190 2.799 3.622 . 0 0 "[ . 1 . 2]" 1
37 1 9 SER H 1 28 THR HA 1.800 . 5.600 4.873 4.516 5.165 . 0 0 "[ . 1 . 2]" 1
38 1 9 SER H 1 28 THR MG 1.800 . 6.000 4.745 2.574 5.495 . 0 0 "[ . 1 . 2]" 1
39 1 9 SER HB2 1 10 VAL H 1.800 . 5.700 4.453 3.972 4.610 . 0 0 "[ . 1 . 2]" 1
40 1 9 SER HA 1 10 VAL H 1.800 . 3.800 2.148 2.138 2.158 . 0 0 "[ . 1 . 2]" 1
41 1 10 VAL H 1 10 VAL MG2 1.800 . 6.300 3.593 2.004 3.866 . 0 0 "[ . 1 . 2]" 1
42 1 10 VAL HA 1 11 SER H 1.800 . 3.900 2.175 2.172 2.182 . 0 0 "[ . 1 . 2]" 1
43 1 10 VAL HB 1 11 SER H 1.800 . 5.400 4.045 3.081 4.181 . 0 0 "[ . 1 . 2]" 1
44 1 10 VAL MG2 1 11 SER H 1.800 . 5.300 2.458 2.130 4.001 . 0 0 "[ . 1 . 2]" 1
45 1 10 VAL MG1 1 11 SER H 1.800 . 6.300 3.801 2.172 3.968 . 0 0 "[ . 1 . 2]" 1
46 1 11 SER H 1 27 ALA HA 1.800 . 4.300 3.977 3.321 4.329 0.029 1 0 "[ . 1 . 2]" 1
47 1 11 SER H 1 26 LYS HA 1.800 . 6.300 5.487 4.885 5.906 . 0 0 "[ . 1 . 2]" 1
48 1 11 SER H 1 26 LYS H 1.800 . 3.900 3.841 3.177 4.178 0.278 19 0 "[ . 1 . 2]" 1
49 1 11 SER H 1 27 ALA H 1.800 . 6.200 5.572 5.178 5.987 . 0 0 "[ . 1 . 2]" 1
50 1 13 THR HA 1 14 ASN H 1.800 . 3.800 2.149 2.145 2.193 . 0 0 "[ . 1 . 2]" 1
51 1 13 THR HB 1 14 ASN H 1.800 . 5.400 3.960 3.349 4.254 . 0 0 "[ . 1 . 2]" 1
52 1 13 THR MG 1 14 ASN H 1.800 . 6.300 3.327 2.821 4.252 . 0 0 "[ . 1 . 2]" 1
53 1 14 ASN HB2 1 15 SER H 1.800 . 5.100 4.089 3.780 4.456 . 0 0 "[ . 1 . 2]" 1
54 1 14 ASN HA 1 15 SER H 1.800 . 3.800 2.187 2.141 2.267 . 0 0 "[ . 1 . 2]" 1
55 1 15 SER H 1 87 ASP H 1.800 . 4.900 3.647 3.447 3.849 . 0 0 "[ . 1 . 2]" 1
56 1 15 SER H 1 87 ASP HB2 1.800 . 5.900 4.976 4.199 5.681 . 0 0 "[ . 1 . 2]" 1
57 1 15 SER H 1 89 LYS HB2 1.800 . 5.900 5.607 5.100 5.907 0.007 14 0 "[ . 1 . 2]" 1
58 1 15 SER H 1 88 PHE HA 1.800 . 5.000 3.703 3.285 4.239 . 0 0 "[ . 1 . 2]" 1
59 1 15 SER H 1 89 LYS H 1.800 . 4.900 4.716 4.149 4.903 0.003 10 0 "[ . 1 . 2]" 1
60 1 15 SER HA 1 16 THR H 1.800 . 3.800 2.711 2.661 2.732 . 0 0 "[ . 1 . 2]" 1
61 1 15 SER HB2 1 16 THR H 1.800 . 5.400 3.589 2.923 3.679 . 0 0 "[ . 1 . 2]" 1
62 1 15 SER HB3 1 16 THR H 1.800 . 5.400 2.331 1.941 2.567 . 0 0 "[ . 1 . 2]" 1
63 1 16 THR HB 1 17 VAL H 1.800 . 5.300 3.039 2.566 3.895 . 0 0 "[ . 1 . 2]" 1
64 1 16 THR HA 1 17 VAL H 1.800 . 3.800 2.292 2.234 2.352 . 0 0 "[ . 1 . 2]" 1
65 1 17 VAL H 1 90 VAL HA 1.800 . 4.100 3.275 2.939 3.588 . 0 0 "[ . 1 . 2]" 1
66 1 17 VAL H 1 91 THR H 1.800 . 4.900 4.435 4.227 4.756 . 0 0 "[ . 1 . 2]" 1
67 1 17 VAL H 1 90 VAL MG2 1.800 . 5.900 4.233 3.259 5.501 . 0 0 "[ . 1 . 2]" 1
68 1 17 VAL H 1 89 LYS H 1.800 . 4.900 2.962 2.586 3.364 . 0 0 "[ . 1 . 2]" 1
69 1 17 VAL H 1 90 VAL HB 1.800 . 5.900 5.404 4.143 5.916 0.016 10 0 "[ . 1 . 2]" 1
70 1 17 VAL H 1 89 LYS HB2 1.800 . 6.000 3.902 3.564 4.437 . 0 0 "[ . 1 . 2]" 1
71 1 17 VAL H 1 91 THR MG 1.800 . 5.900 5.279 4.694 5.839 . 0 0 "[ . 1 . 2]" 1
72 1 17 VAL H 1 89 LYS HA 1.800 . 6.000 4.616 4.468 4.815 . 0 0 "[ . 1 . 2]" 1
73 1 18 ALA H 1 18 ALA MB 1.800 . 5.600 2.111 2.040 2.219 . 0 0 "[ . 1 . 2]" 1
74 1 17 VAL MG1 1 18 ALA H 1.800 . 5.500 3.232 2.021 3.826 . 0 0 "[ . 1 . 2]" 1
75 1 17 VAL HA 1 18 ALA H 1.800 . 3.800 2.309 2.291 2.317 . 0 0 "[ . 1 . 2]" 1
76 1 17 VAL HB 1 18 ALA H 1.800 . 5.000 3.556 2.600 3.970 . 0 0 "[ . 1 . 2]" 1
77 1 18 ALA H 1 21 LEU HB3 1.800 . 6.500 4.677 4.194 5.449 . 0 0 "[ . 1 . 2]" 1
78 1 18 ALA HA 1 19 LYS H 1.800 . 3.800 2.369 2.215 2.472 . 0 0 "[ . 1 . 2]" 1
79 1 18 ALA MB 1 19 LYS H 1.800 . 4.800 2.565 2.230 2.859 . 0 0 "[ . 1 . 2]" 1
80 1 19 LYS HB3 1 20 GLY H 1.800 . 5.700 4.066 3.654 4.256 . 0 0 "[ . 1 . 2]" 1
81 1 19 LYS HA 1 20 GLY H 1.800 . 3.800 2.178 2.147 2.218 . 0 0 "[ . 1 . 2]" 1
82 1 20 GLY HA3 1 21 LEU H 1.800 . 4.000 3.459 3.388 3.545 . 0 0 "[ . 1 . 2]" 1
83 1 20 GLY HA2 1 21 LEU H 1.800 . 4.000 2.246 2.171 2.396 . 0 0 "[ . 1 . 2]" 1
84 1 21 LEU H 1 67 THR MG 1.800 . 5.900 4.381 2.334 5.904 0.004 7 0 "[ . 1 . 2]" 1
85 1 21 LEU H 1 67 THR HA 1.800 . 5.300 5.286 5.085 5.338 0.038 15 0 "[ . 1 . 2]" 1
86 1 21 LEU H 1 67 THR H 1.800 . 3.900 3.064 2.880 3.346 . 0 0 "[ . 1 . 2]" 1
87 1 21 LEU H 1 68 LEU H 1.800 . 5.600 5.564 5.429 5.629 0.029 17 0 "[ . 1 . 2]" 1
88 1 21 LEU H 1 68 LEU HA 1.800 . 4.400 4.339 4.015 4.497 0.097 16 0 "[ . 1 . 2]" 1
89 1 21 LEU HB3 1 22 GLN H 1.800 . 4.800 2.753 2.221 3.368 . 0 0 "[ . 1 . 2]" 1
90 1 21 LEU HA 1 22 GLN H 1.800 . 3.800 2.466 2.237 2.724 . 0 0 "[ . 1 . 2]" 1
91 1 21 LEU MD1 1 22 GLN H 1.800 . 6.000 4.014 1.894 4.582 . 0 0 "[ . 1 . 2]" 1
92 1 22 GLN HB2 1 23 GLU H 1.800 . 5.600 3.689 2.704 4.336 . 0 0 "[ . 1 . 2]" 1
93 1 22 GLN HA 1 23 GLU H 1.800 . 3.800 2.224 2.196 2.307 . 0 0 "[ . 1 . 2]" 1
94 1 23 GLU H 1 64 LEU HA 1.800 . 5.900 3.993 3.506 4.442 . 0 0 "[ . 1 . 2]" 1
95 1 23 GLU H 1 65 ALA H 1.800 . 3.900 2.808 2.503 3.063 . 0 0 "[ . 1 . 2]" 1
96 1 23 GLU H 1 65 ALA MB 1.800 . 5.500 3.327 3.083 3.659 . 0 0 "[ . 1 . 2]" 1
97 1 23 GLU H 1 66 SER HA 1.800 . 4.600 3.858 3.646 4.033 . 0 0 "[ . 1 . 2]" 1
98 1 23 GLU H 1 66 SER HB2 1.800 . 5.900 5.124 4.057 5.903 0.003 12 0 "[ . 1 . 2]" 1
99 1 23 GLU HB3 1 24 ASN H 1.800 . 5.300 3.667 3.009 4.264 . 0 0 "[ . 1 . 2]" 1
100 1 23 GLU HB2 1 24 ASN H 1.800 . 5.300 4.300 3.383 4.531 . 0 0 "[ . 1 . 2]" 1
101 1 23 GLU HA 1 24 ASN H 1.800 . 3.800 2.177 2.139 2.248 . 0 0 "[ . 1 . 2]" 1
102 1 24 ASN H 1 25 PHE H 1.800 . 5.900 4.538 4.435 4.603 . 0 0 "[ . 1 . 2]" 1
103 1 24 ASN HA 1 25 PHE H 1.800 . 3.800 2.203 2.151 2.213 . 0 0 "[ . 1 . 2]" 1
104 1 25 PHE H 1 26 LYS H 1.800 . 5.900 4.410 3.982 4.546 . 0 0 "[ . 1 . 2]" 1
105 1 25 PHE H 1 63 GLY HA2 1.800 . 6.000 4.529 3.567 5.663 . 0 0 "[ . 1 . 2]" 1
106 1 25 PHE H 1 63 GLY H 1.800 . 3.900 2.584 1.892 4.016 0.116 13 0 "[ . 1 . 2]" 1
107 1 25 PHE H 1 64 LEU HA 1.800 . 4.300 3.895 3.296 4.317 0.017 7 0 "[ . 1 . 2]" 1
108 1 25 PHE H 1 64 LEU HB3 1.800 . 5.300 5.280 4.951 5.451 0.151 19 0 "[ . 1 . 2]" 1
109 1 25 PHE H 1 62 HIS H 1.800 . 6.100 6.164 6.058 6.347 0.247 19 0 "[ . 1 . 2]" 1
110 1 25 PHE H 1 62 HIS HA 1.800 . 6.100 3.833 3.426 4.886 . 0 0 "[ . 1 . 2]" 1
111 1 25 PHE HA 1 26 LYS H 1.800 . 3.800 2.575 2.150 2.736 . 0 0 "[ . 1 . 2]" 1
112 1 25 PHE HB2 1 26 LYS H 1.800 . 5.500 3.161 1.952 4.435 . 0 0 "[ . 1 . 2]" 1
113 1 25 PHE HB3 1 26 LYS H 1.800 . 5.300 2.539 1.945 3.876 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL HA 1 26 LYS H 1.800 . 6.500 5.067 4.466 5.603 . 0 0 "[ . 1 . 2]" 1
115 1 26 LYS HB2 1 27 ALA H 1.800 . 5.300 4.148 2.635 4.487 . 0 0 "[ . 1 . 2]" 1
116 1 26 LYS HA 1 27 ALA H 1.800 . 3.800 2.173 2.148 2.362 . 0 0 "[ . 1 . 2]" 1
117 1 27 ALA H 1 28 THR H 1.800 . 5.600 4.167 4.104 4.448 . 0 0 "[ . 1 . 2]" 1
118 1 27 ALA MB 1 28 THR H 1.800 . 5.600 3.228 2.962 3.305 . 0 0 "[ . 1 . 2]" 1
119 1 27 ALA HA 1 28 THR H 1.800 . 3.800 2.145 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
120 1 28 THR H 1 28 THR MG 1.800 . 6.000 3.339 1.908 3.897 . 0 0 "[ . 1 . 2]" 1
121 1 10 VAL HB 1 28 THR H 1.800 . 6.100 5.475 4.955 6.111 0.011 16 0 "[ . 1 . 2]" 1
122 1 10 VAL HA 1 28 THR H 1.800 . 4.100 3.974 3.539 4.197 0.097 9 0 "[ . 1 . 2]" 1
123 1 9 SER HB2 1 28 THR H 1.800 . 5.300 4.234 2.964 5.074 . 0 0 "[ . 1 . 2]" 1
124 1 9 SER HA 1 28 THR H 1.800 . 5.300 5.012 4.599 5.323 0.023 18 0 "[ . 1 . 2]" 1
125 1 8 ILE HB 1 28 THR H 1.800 . 5.900 5.080 3.118 5.909 0.009 7 0 "[ . 1 . 2]" 1
126 1 28 THR MG 1 29 GLY H 1.800 . 5.300 3.649 2.710 4.236 . 0 0 "[ . 1 . 2]" 1
127 1 28 THR HA 1 29 GLY H 1.800 . 3.800 2.171 2.146 2.183 . 0 0 "[ . 1 . 2]" 1
128 1 29 GLY H 1 37 SER H 1.800 . 6.300 5.204 3.552 6.330 0.030 1 0 "[ . 1 . 2]" 1
129 1 29 GLY H 1 39 ILE H 1.800 . 6.300 5.898 3.680 6.371 0.071 12 0 "[ . 1 . 2]" 1
130 1 29 GLY HA3 1 30 ILE H 1.800 . 4.500 3.132 3.018 3.375 . 0 0 "[ . 1 . 2]" 1
131 1 29 GLY HA2 1 30 ILE H 1.800 . 4.500 2.170 2.138 2.207 . 0 0 "[ . 1 . 2]" 1
132 1 30 ILE H 1 30 ILE MG 1.800 . 5.900 3.443 1.918 3.927 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE HB 1 30 ILE H 1.800 . 6.100 4.788 3.311 5.911 . 0 0 "[ . 1 . 2]" 1
134 1 8 ILE MG 1 30 ILE H 1.800 . 5.700 3.877 2.444 5.660 . 0 0 "[ . 1 . 2]" 1
135 1 7 SER HB2 1 30 ILE H 1.800 . 5.300 4.958 4.158 5.338 0.038 8 0 "[ . 1 . 2]" 1
136 1 6 VAL HB 1 30 ILE H 1.800 . 5.900 5.130 4.485 5.971 0.071 13 0 "[ . 1 . 2]" 1
137 1 30 ILE MD 1 31 PHE H 1.800 . 6.000 4.862 3.416 5.414 . 0 0 "[ . 1 . 2]" 1
138 1 30 ILE HB 1 31 PHE H 1.800 . 5.300 4.020 3.033 4.373 . 0 0 "[ . 1 . 2]" 1
139 1 30 ILE HA 1 31 PHE H 1.800 . 3.800 2.159 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
140 1 31 PHE H 1 33 ASP H 1.800 . 6.500 4.815 4.028 5.676 . 0 0 "[ . 1 . 2]" 1
141 1 31 PHE H 1 32 THR H 1.800 . 5.900 4.439 4.358 4.514 . 0 0 "[ . 1 . 2]" 1
142 1 31 PHE H 1 34 ASN HA 1.800 . 6.500 5.117 3.662 6.634 0.134 20 0 "[ . 1 . 2]" 1
143 1 6 VAL H 1 31 PHE H 1.800 . 5.900 5.866 5.439 6.121 0.221 9 0 "[ . 1 . 2]" 1
144 1 32 THR H 1 33 ASP HB3 1.800 . 5.500 4.993 4.476 5.491 . 0 0 "[ . 1 . 2]" 1
145 1 31 PHE HB3 1 32 THR H 1.800 . 5.300 2.921 2.199 3.800 . 0 0 "[ . 1 . 2]" 1
146 1 31 PHE HB2 1 32 THR H 1.800 . 5.300 3.530 2.901 4.442 . 0 0 "[ . 1 . 2]" 1
147 1 31 PHE HA 1 32 THR H 1.800 . 3.800 2.313 2.153 2.547 . 0 0 "[ . 1 . 2]" 1
148 1 32 THR H 1 33 ASP H 1.800 . 5.900 2.584 2.489 2.677 . 0 0 "[ . 1 . 2]" 1
149 1 4 ALA HA 1 32 THR H 1.800 . 6.000 4.477 3.130 5.850 . 0 0 "[ . 1 . 2]" 1
150 1 3 ALA MB 1 32 THR H 1.800 . 5.300 4.277 3.157 5.005 . 0 0 "[ . 1 . 2]" 1
151 1 33 ASP H 1 34 ASN H 1.800 . 5.900 2.563 2.250 2.849 . 0 0 "[ . 1 . 2]" 1
152 1 33 ASP H 1 35 SER H 1.800 . 6.100 4.658 3.694 5.924 . 0 0 "[ . 1 . 2]" 1
153 1 31 PHE HA 1 33 ASP H 1.800 . 6.000 3.930 3.643 4.208 . 0 0 "[ . 1 . 2]" 1
154 1 32 THR HB 1 33 ASP H 1.800 . 4.800 3.286 2.775 4.085 . 0 0 "[ . 1 . 2]" 1
155 1 33 ASP H 1 34 ASN HA 1.800 . 6.000 4.923 4.659 5.178 . 0 0 "[ . 1 . 2]" 1
156 1 31 PHE HB3 1 33 ASP H 1.800 . 5.900 3.108 2.347 3.861 . 0 0 "[ . 1 . 2]" 1
157 1 3 ALA MB 1 33 ASP H 1.800 . 6.000 4.340 2.542 5.691 . 0 0 "[ . 1 . 2]" 1
158 1 32 THR H 1 34 ASN H 1.800 . 5.900 4.166 3.818 4.572 . 0 0 "[ . 1 . 2]" 1
159 1 34 ASN H 1 35 SER H 1.800 . 5.900 2.992 2.425 3.619 . 0 0 "[ . 1 . 2]" 1
160 1 31 PHE HA 1 34 ASN H 1.800 . 6.500 4.805 4.339 5.462 . 0 0 "[ . 1 . 2]" 1
161 1 33 ASP HA 1 34 ASN H 1.800 . 3.800 3.181 2.973 3.305 . 0 0 "[ . 1 . 2]" 1
162 1 33 ASP HB2 1 34 ASN H 1.800 . 5.600 4.336 4.043 4.554 . 0 0 "[ . 1 . 2]" 1
163 1 33 ASP HB3 1 34 ASN H 1.800 . 5.000 4.073 3.533 4.595 . 0 0 "[ . 1 . 2]" 1
164 1 3 ALA H 1 34 ASN H 1.800 . 5.900 5.689 4.626 6.024 0.124 18 0 "[ . 1 . 2]" 1
165 1 34 ASN HB2 1 35 SER H 1.800 . 5.300 4.108 2.031 4.661 . 0 0 "[ . 1 . 2]" 1
166 1 34 ASN HA 1 35 SER H 1.800 . 3.800 2.709 2.148 3.569 . 0 0 "[ . 1 . 2]" 1
167 1 32 THR H 1 35 SER H 1.800 . 6.500 5.927 4.637 6.675 0.175 16 0 "[ . 1 . 2]" 1
168 1 32 THR HA 1 35 SER H 1.800 . 5.900 5.403 4.464 6.102 0.202 10 0 "[ . 1 . 2]" 1
169 1 35 SER H 1 36 ASN H 1.800 . 5.700 3.644 2.505 4.409 . 0 0 "[ . 1 . 2]" 1
170 1 35 SER HA 1 36 ASN H 1.800 . 3.800 2.520 2.139 3.562 . 0 0 "[ . 1 . 2]" 1
171 1 34 ASN HB2 1 36 ASN H 1.800 . 6.000 5.784 4.676 6.207 0.207 20 0 "[ . 1 . 2]" 1
172 1 37 SER H 1 40 THR H 1.800 . 5.600 5.124 3.600 5.571 . 0 0 "[ . 1 . 2]" 1
173 1 37 SER H 1 39 ILE H 1.800 . 6.200 5.565 5.135 5.921 . 0 0 "[ . 1 . 2]" 1
174 1 36 ASN H 1 37 SER H 1.800 . 6.200 4.489 4.335 4.571 . 0 0 "[ . 1 . 2]" 1
175 1 36 ASN HA 1 37 SER H 1.800 . 3.800 2.323 2.195 2.456 . 0 0 "[ . 1 . 2]" 1
176 1 35 SER HA 1 37 SER H 1.800 . 6.300 6.271 6.071 6.431 0.131 16 0 "[ . 1 . 2]" 1
177 1 37 SER H 1 40 THR HB 1.800 . 6.500 5.634 2.259 6.544 0.044 12 0 "[ . 1 . 2]" 1
178 1 38 ASP H 1 40 THR H 1.800 . 6.200 4.941 3.712 5.740 . 0 0 "[ . 1 . 2]" 1
179 1 37 SER HA 1 38 ASP H 1.800 . 3.800 2.343 2.150 2.419 . 0 0 "[ . 1 . 2]" 1
180 1 37 SER HB2 1 38 ASP H 1.800 . 5.300 3.478 2.411 4.455 . 0 0 "[ . 1 . 2]" 1
181 1 38 ASP HB3 1 39 ILE H 1.800 . 6.300 4.046 3.368 4.520 . 0 0 "[ . 1 . 2]" 1
182 1 38 ASP HB2 1 39 ILE H 1.800 . 6.300 4.272 3.383 4.630 . 0 0 "[ . 1 . 2]" 1
183 1 37 SER HB2 1 39 ILE H 1.800 . 6.000 5.533 4.568 6.066 0.066 8 0 "[ . 1 . 2]" 1
184 1 39 ILE H 1 40 THR HA 1.800 . 5.700 4.887 4.434 5.343 . 0 0 "[ . 1 . 2]" 1
185 1 38 ASP HA 1 39 ILE H 1.800 . 3.800 2.165 2.144 2.177 . 0 0 "[ . 1 . 2]" 1
186 1 39 ILE H 1 42 GLN H 1.800 . 6.000 4.499 2.992 5.719 . 0 0 "[ . 1 . 2]" 1
187 1 40 THR H 1 42 GLN H 1.800 . 6.500 3.864 3.604 4.073 . 0 0 "[ . 1 . 2]" 1
188 1 40 THR H 1 43 VAL H 1.800 . 6.500 5.968 5.143 6.604 0.104 2 0 "[ . 1 . 2]" 1
189 1 38 ASP HB2 1 40 THR H 1.800 . 6.500 5.737 4.660 6.414 . 0 0 "[ . 1 . 2]" 1
190 1 39 ILE HB 1 40 THR H 1.800 . 4.800 4.141 3.908 4.611 . 0 0 "[ . 1 . 2]" 1
191 1 40 THR H 1 40 THR MG 1.800 . 5.000 3.544 2.277 3.769 . 0 0 "[ . 1 . 2]" 1
192 1 41 ASP H 1 42 GLN H 1.800 . 5.600 2.421 2.195 2.601 . 0 0 "[ . 1 . 2]" 1
193 1 40 THR HA 1 41 ASP H 1.800 . 3.800 3.512 3.478 3.546 . 0 0 "[ . 1 . 2]" 1
194 1 40 THR HB 1 41 ASP H 1.800 . 5.600 2.905 2.535 3.919 . 0 0 "[ . 1 . 2]" 1
195 1 40 THR MG 1 41 ASP H 1.800 . 5.700 3.600 2.038 4.280 . 0 0 "[ . 1 . 2]" 1
196 1 39 ILE MD 1 41 ASP H 1.800 . 5.700 5.364 4.502 5.925 0.225 17 0 "[ . 1 . 2]" 1
197 1 42 GLN H 1 43 VAL HB 1.800 . 6.000 5.537 4.953 6.220 0.220 3 0 "[ . 1 . 2]" 1
198 1 42 GLN H 1 42 GLN HG2 1.800 . 5.500 4.470 2.886 5.154 . 0 0 "[ . 1 . 2]" 1
199 1 41 ASP HA 1 42 GLN H 1.800 . 3.800 3.308 3.186 3.411 . 0 0 "[ . 1 . 2]" 1
200 1 40 THR HB 1 42 GLN H 1.800 . 5.000 4.799 4.583 5.315 0.315 8 0 "[ . 1 . 2]" 1
201 1 39 ILE HA 1 42 GLN H 1.800 . 6.500 3.442 2.962 3.795 . 0 0 "[ . 1 . 2]" 1
202 1 42 GLN H 1 43 VAL H 1.800 . 5.900 3.181 2.596 3.505 . 0 0 "[ . 1 . 2]" 1
203 1 41 ASP H 1 43 VAL H 1.800 . 6.400 4.703 3.304 5.400 . 0 0 "[ . 1 . 2]" 1
204 1 42 GLN HA 1 43 VAL H 1.800 . 3.800 2.525 2.188 3.558 . 0 0 "[ . 1 . 2]" 1
205 1 41 ASP HA 1 43 VAL H 1.800 . 6.300 5.592 4.245 6.307 0.007 5 0 "[ . 1 . 2]" 1
206 1 42 GLN HG3 1 43 VAL H 1.800 . 5.300 4.678 3.717 5.262 . 0 0 "[ . 1 . 2]" 1
207 1 42 GLN HB3 1 43 VAL H 1.800 . 5.500 4.097 2.421 4.475 . 0 0 "[ . 1 . 2]" 1
208 1 43 VAL HA 1 44 THR H 1.800 . 4.000 2.196 2.140 2.269 . 0 0 "[ . 1 . 2]" 1
209 1 44 THR H 1 44 THR MG 1.800 . 5.000 3.632 2.725 3.827 . 0 0 "[ . 1 . 2]" 1
210 1 43 VAL HB 1 44 THR H 1.800 . 5.400 3.966 3.006 4.416 . 0 0 "[ . 1 . 2]" 1
211 1 44 THR H 1 78 SER H 1.800 . 3.900 3.480 2.948 3.934 0.034 12 0 "[ . 1 . 2]" 1
212 1 44 THR H 1 78 SER HA 1.800 . 6.300 5.486 4.954 5.913 . 0 0 "[ . 1 . 2]" 1
213 1 44 THR H 1 78 SER HB2 1.800 . 6.100 5.761 4.701 6.186 0.086 13 0 "[ . 1 . 2]" 1
214 1 44 THR H 1 78 SER HB3 1.800 . 6.100 5.681 3.784 6.191 0.091 13 0 "[ . 1 . 2]" 1
215 1 44 THR H 1 79 ILE H 1.800 . 6.300 5.591 5.027 5.976 . 0 0 "[ . 1 . 2]" 1
216 1 44 THR H 1 79 ILE HB 1.800 . 4.900 4.238 3.250 4.976 0.076 13 0 "[ . 1 . 2]" 1
217 1 44 THR H 1 79 ILE MG 1.800 . 5.800 5.299 4.571 5.818 0.018 2 0 "[ . 1 . 2]" 1
218 1 44 THR HA 1 45 TRP H 1.800 . 3.900 2.147 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
219 1 44 THR HB 1 45 TRP H 1.800 . 5.500 3.998 3.444 4.303 . 0 0 "[ . 1 . 2]" 1
220 1 45 TRP H 1 57 ASN H 1.800 . 6.500 6.394 5.145 6.557 0.057 15 0 "[ . 1 . 2]" 1
221 1 45 TRP HA 1 46 ASP H 1.800 . 4.000 2.254 2.147 2.339 . 0 0 "[ . 1 . 2]" 1
222 1 46 ASP H 1 76 THR H 1.800 . 4.000 3.077 2.747 3.487 . 0 0 "[ . 1 . 2]" 1
223 1 46 ASP H 1 76 THR HA 1.800 . 5.300 5.013 4.709 5.323 0.023 9 0 "[ . 1 . 2]" 1
224 1 46 ASP H 1 75 VAL HA 1.800 . 5.800 4.431 4.127 4.704 . 0 0 "[ . 1 . 2]" 1
225 1 46 ASP H 1 77 ALA HA 1.800 . 4.600 3.995 3.215 4.603 0.003 4 0 "[ . 1 . 2]" 1
226 1 46 ASP H 1 76 THR HB 1.800 . 5.900 4.890 3.732 5.726 . 0 0 "[ . 1 . 2]" 1
227 1 46 ASP H 1 76 THR MG 1.800 . 6.300 5.258 2.837 5.914 . 0 0 "[ . 1 . 2]" 1
228 1 46 ASP HA 1 47 SER H 1.800 . 3.800 2.249 2.219 2.446 . 0 0 "[ . 1 . 2]" 1
229 1 46 ASP HB2 1 47 SER H 1.800 . 4.800 4.191 3.880 4.292 . 0 0 "[ . 1 . 2]" 1
230 1 47 SER H 1 55 ILE H 1.800 . 5.900 5.746 4.101 5.965 0.065 17 0 "[ . 1 . 2]" 1
231 1 47 SER HB2 1 48 SER H 1.800 . 5.500 3.846 2.830 4.204 . 0 0 "[ . 1 . 2]" 1
232 1 47 SER HA 1 48 SER H 1.800 . 3.800 2.267 2.188 2.285 . 0 0 "[ . 1 . 2]" 1
233 1 48 SER H 1 49 ASN H 1.800 . 5.900 4.443 2.807 4.647 . 0 0 "[ . 1 . 2]" 1
234 1 48 SER H 1 73 VAL H 1.800 . 6.500 6.520 6.266 6.635 0.135 16 0 "[ . 1 . 2]" 1
235 1 48 SER H 1 74 LYS H 1.800 . 4.100 3.065 2.409 3.825 . 0 0 "[ . 1 . 2]" 1
236 1 48 SER H 1 74 LYS HB2 1.800 . 5.600 5.310 4.547 5.616 0.016 19 0 "[ . 1 . 2]" 1
237 1 48 SER H 1 75 VAL HA 1.800 . 4.200 3.894 3.510 4.220 0.020 10 0 "[ . 1 . 2]" 1
238 1 48 SER H 1 53 LEU HA 1.800 . 6.500 6.552 6.509 6.646 0.146 14 0 "[ . 1 . 2]" 1
239 1 48 SER H 1 73 VAL HA 1.800 . 6.500 4.177 3.828 4.683 . 0 0 "[ . 1 . 2]" 1
240 1 48 SER HB2 1 49 ASN H 1.800 . 5.000 3.805 3.276 4.490 . 0 0 "[ . 1 . 2]" 1
241 1 48 SER HA 1 49 ASN H 1.800 . 3.800 2.480 2.140 3.502 . 0 0 "[ . 1 . 2]" 1
242 1 49 ASN H 1 50 THR H 1.800 . 5.900 3.542 1.899 4.619 . 0 0 "[ . 1 . 2]" 1
243 1 49 ASN HB3 1 50 THR H 1.800 . 5.300 3.691 2.160 4.510 . 0 0 "[ . 1 . 2]" 1
244 1 49 ASN HB2 1 50 THR H 1.800 . 5.400 4.242 3.413 4.663 . 0 0 "[ . 1 . 2]" 1
245 1 49 ASN HA 1 50 THR H 1.800 . 3.800 2.584 2.145 3.502 . 0 0 "[ . 1 . 2]" 1
246 1 50 THR H 1 51 ASP H 1.800 . 5.900 2.609 1.951 4.403 . 0 0 "[ . 1 . 2]" 1
247 1 50 THR H 1 50 THR MG 1.800 . 5.300 3.312 2.042 3.969 . 0 0 "[ . 1 . 2]" 1
248 1 51 ASP H 1 52 ILE MG 1.800 . 6.000 4.958 4.013 5.973 . 0 0 "[ . 1 . 2]" 1
249 1 50 THR MG 1 51 ASP H 1.800 . 5.300 3.521 1.995 4.392 . 0 0 "[ . 1 . 2]" 1
250 1 50 THR HB 1 51 ASP H 1.800 . 4.900 3.016 1.939 4.632 . 0 0 "[ . 1 . 2]" 1
251 1 50 THR HA 1 51 ASP H 1.800 . 3.800 3.362 2.714 3.570 . 0 0 "[ . 1 . 2]" 1
252 1 51 ASP H 1 52 ILE H 1.800 . 6.100 2.495 1.900 3.075 . 0 0 "[ . 1 . 2]" 1
253 1 51 ASP HB3 1 52 ILE H 1.800 . 5.400 2.439 1.966 3.734 . 0 0 "[ . 1 . 2]" 1
254 1 51 ASP HB2 1 52 ILE H 1.800 . 5.400 2.843 1.889 3.589 . 0 0 "[ . 1 . 2]" 1
255 1 51 ASP HA 1 52 ILE H 1.800 . 3.800 3.559 3.533 3.571 . 0 0 "[ . 1 . 2]" 1
256 1 52 ILE H 1 52 ILE MG 1.800 . 5.700 3.091 2.169 3.958 . 0 0 "[ . 1 . 2]" 1
257 1 52 ILE H 1 53 LEU MD2 1.800 . 6.500 3.844 1.957 6.448 . 0 0 "[ . 1 . 2]" 1
258 1 52 ILE H 1 68 LEU H 1.800 . 4.300 4.267 3.868 4.407 0.107 10 0 "[ . 1 . 2]" 1
259 1 52 ILE H 1 53 LEU H 1.800 . 6.500 3.886 3.154 4.427 . 0 0 "[ . 1 . 2]" 1
260 1 52 ILE HA 1 53 LEU H 1.800 . 3.800 2.204 2.140 2.435 . 0 0 "[ . 1 . 2]" 1
261 1 52 ILE HB 1 53 LEU H 1.800 . 4.800 4.216 2.907 4.505 . 0 0 "[ . 1 . 2]" 1
262 1 52 ILE MG 1 53 LEU H 1.800 . 6.000 3.629 2.054 4.257 . 0 0 "[ . 1 . 2]" 1
263 1 53 LEU HA 1 54 SER H 1.800 . 3.800 2.154 2.146 2.212 . 0 0 "[ . 1 . 2]" 1
264 1 53 LEU HB3 1 54 SER H 1.800 . 5.000 3.567 3.249 4.292 . 0 0 "[ . 1 . 2]" 1
265 1 53 LEU MD2 1 54 SER H 1.800 . 5.700 4.642 3.119 5.251 . 0 0 "[ . 1 . 2]" 1
266 1 54 SER H 1 67 THR H 1.800 . 5.600 5.053 4.938 5.126 . 0 0 "[ . 1 . 2]" 1
267 1 54 SER H 1 66 SER H 1.800 . 4.000 3.774 3.520 4.024 0.024 15 0 "[ . 1 . 2]" 1
268 1 54 SER H 1 66 SER HA 1.800 . 5.300 5.164 5.007 5.312 0.012 15 0 "[ . 1 . 2]" 1
269 1 54 SER H 1 66 SER HB3 1.800 . 5.700 4.220 3.392 5.305 . 0 0 "[ . 1 . 2]" 1
270 1 54 SER H 1 65 ALA HA 1.800 . 5.900 5.409 4.975 5.836 . 0 0 "[ . 1 . 2]" 1
271 1 54 SER H 1 67 THR HA 1.800 . 4.300 3.330 3.024 3.665 . 0 0 "[ . 1 . 2]" 1
272 1 54 SER HA 1 55 ILE H 1.800 . 3.800 2.167 2.138 2.211 . 0 0 "[ . 1 . 2]" 1
273 1 54 SER HB2 1 55 ILE H 1.800 . 4.800 4.317 3.531 4.562 . 0 0 "[ . 1 . 2]" 1
274 1 54 SER HB3 1 55 ILE H 1.800 . 4.800 3.644 3.166 4.289 . 0 0 "[ . 1 . 2]" 1
275 1 55 ILE H 1 55 ILE MG 1.800 . 5.700 3.378 1.969 3.896 . 0 0 "[ . 1 . 2]" 1
276 1 55 ILE HA 1 56 SER H 1.800 . 3.800 2.156 2.147 2.201 . 0 0 "[ . 1 . 2]" 1
277 1 55 ILE MG 1 56 SER H 1.800 . 5.800 3.167 2.319 4.062 . 0 0 "[ . 1 . 2]" 1
278 1 56 SER H 1 64 LEU H 1.800 . 3.900 3.686 2.830 3.923 0.023 15 0 "[ . 1 . 2]" 1
279 1 56 SER H 1 64 LEU HA 1.800 . 5.200 5.064 4.545 5.232 0.032 3 0 "[ . 1 . 2]" 1
280 1 56 SER H 1 64 LEU HB2 1.800 . 5.900 4.728 3.314 5.551 . 0 0 "[ . 1 . 2]" 1
281 1 56 SER H 1 64 LEU HB3 1.800 . 5.900 5.244 2.813 5.961 0.061 13 0 "[ . 1 . 2]" 1
282 1 56 SER H 1 65 ALA HA 1.800 . 4.200 3.279 2.480 3.928 . 0 0 "[ . 1 . 2]" 1
283 1 56 SER H 1 65 ALA MB 1.800 . 5.300 4.417 3.661 4.949 . 0 0 "[ . 1 . 2]" 1
284 1 56 SER HB2 1 57 ASN H 1.800 . 5.300 4.371 3.678 4.596 . 0 0 "[ . 1 . 2]" 1
285 1 56 SER HA 1 57 ASN H 1.800 . 3.800 2.148 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
286 1 57 ASN H 1 58 ALA H 1.800 . 6.000 3.400 2.170 4.623 . 0 0 "[ . 1 . 2]" 1
287 1 57 ASN HA 1 58 ALA H 1.800 . 3.800 2.479 2.140 2.989 . 0 0 "[ . 1 . 2]" 1
288 1 57 ASN HB2 1 58 ALA H 1.800 . 5.100 4.053 2.441 4.633 . 0 0 "[ . 1 . 2]" 1
289 1 57 ASN HB3 1 58 ALA H 1.800 . 5.100 4.213 2.267 4.665 . 0 0 "[ . 1 . 2]" 1
290 1 58 ALA H 1 58 ALA MB 1.800 . 5.600 2.450 2.061 2.903 . 0 0 "[ . 1 . 2]" 1
291 1 58 ALA HA 1 59 SER H 1.800 . 3.800 3.067 2.148 3.565 . 0 0 "[ . 1 . 2]" 1
292 1 58 ALA MB 1 59 SER H 1.800 . 5.700 2.878 2.077 3.563 . 0 0 "[ . 1 . 2]" 1
293 1 59 SER H 1 60 ASP H 1.800 . 6.200 2.592 2.391 2.783 . 0 0 "[ . 1 . 2]" 1
294 1 60 ASP H 1 61 SER HB3 1.800 . 6.000 5.768 4.814 6.196 0.196 4 0 "[ . 1 . 2]" 1
295 1 59 SER HB2 1 60 ASP H 1.800 . 5.200 3.378 2.577 4.472 . 0 0 "[ . 1 . 2]" 1
296 1 59 SER HA 1 60 ASP H 1.800 . 3.800 3.484 3.350 3.547 . 0 0 "[ . 1 . 2]" 1
297 1 60 ASP H 1 61 SER H 1.800 . 6.200 3.460 1.897 4.339 . 0 0 "[ . 1 . 2]" 1
298 1 60 ASP H 1 62 HIS H 1.800 . 6.000 4.954 3.696 6.122 0.122 13 0 "[ . 1 . 2]" 1
299 1 61 SER H 1 62 HIS H 1.800 . 6.200 2.741 1.952 3.602 . 0 0 "[ . 1 . 2]" 1
300 1 60 ASP HA 1 61 SER H 1.800 . 3.800 3.036 2.261 3.570 . 0 0 "[ . 1 . 2]" 1
301 1 61 SER H 1 62 HIS HB3 1.800 . 5.300 5.212 4.614 5.450 0.150 16 0 "[ . 1 . 2]" 1
302 1 38 ASP H 1 61 SER H 1.800 . 6.000 5.972 4.968 6.091 0.091 16 0 "[ . 1 . 2]" 1
303 1 62 HIS H 1 63 GLY H 1.800 . 6.300 4.569 4.502 4.647 . 0 0 "[ . 1 . 2]" 1
304 1 61 SER HB2 1 62 HIS H 1.800 . 5.400 3.680 2.578 4.636 . 0 0 "[ . 1 . 2]" 1
305 1 61 SER HA 1 62 HIS H 1.800 . 3.900 3.480 2.259 3.570 . 0 0 "[ . 1 . 2]" 1
306 1 62 HIS HA 1 63 GLY H 1.800 . 3.800 2.190 2.151 2.285 . 0 0 "[ . 1 . 2]" 1
307 1 64 LEU H 1 64 LEU MD2 1.800 . 5.700 2.922 1.983 4.879 . 0 0 "[ . 1 . 2]" 1
308 1 64 LEU H 1 64 LEU MD1 1.800 . 5.700 3.959 2.173 4.879 . 0 0 "[ . 1 . 2]" 1
309 1 63 GLY HA3 1 64 LEU H 1.800 . 4.700 2.771 2.138 3.487 . 0 0 "[ . 1 . 2]" 1
310 1 63 GLY HA2 1 64 LEU H 1.800 . 4.700 2.564 2.139 3.346 . 0 0 "[ . 1 . 2]" 1
311 1 56 SER HB2 1 64 LEU H 1.800 . 5.600 4.441 1.970 5.294 . 0 0 "[ . 1 . 2]" 1
312 1 57 ASN H 1 64 LEU H 1.800 . 6.000 5.099 4.415 5.846 . 0 0 "[ . 1 . 2]" 1
313 1 57 ASN HB3 1 64 LEU H 1.800 . 4.900 4.740 3.114 4.961 0.061 15 0 "[ . 1 . 2]" 1
314 1 56 SER HA 1 64 LEU H 1.800 . 5.600 5.196 4.162 5.645 0.045 19 0 "[ . 1 . 2]" 1
315 1 64 LEU HA 1 65 ALA H 1.800 . 3.800 2.172 2.139 2.264 . 0 0 "[ . 1 . 2]" 1
316 1 64 LEU HB2 1 65 ALA H 1.800 . 5.400 3.790 3.223 4.370 . 0 0 "[ . 1 . 2]" 1
317 1 64 LEU HB3 1 65 ALA H 1.800 . 5.400 4.274 3.534 4.542 . 0 0 "[ . 1 . 2]" 1
318 1 64 LEU MD2 1 65 ALA H 1.800 . 5.600 5.071 4.277 5.380 . 0 0 "[ . 1 . 2]" 1
319 1 24 ASN H 1 65 ALA H 1.800 . 6.100 4.997 4.742 5.131 . 0 0 "[ . 1 . 2]" 1
320 1 22 GLN HA 1 65 ALA H 1.800 . 5.900 4.510 4.149 4.723 . 0 0 "[ . 1 . 2]" 1
321 1 24 ASN HA 1 65 ALA H 1.800 . 4.300 3.776 3.402 3.993 . 0 0 "[ . 1 . 2]" 1
322 1 23 GLU HB2 1 65 ALA H 1.800 . 5.300 4.392 3.881 4.963 . 0 0 "[ . 1 . 2]" 1
323 1 24 ASN HB3 1 65 ALA H 1.800 . 5.900 5.631 4.776 5.956 0.056 16 0 "[ . 1 . 2]" 1
324 1 65 ALA HA 1 66 SER H 1.800 . 3.800 2.151 2.141 2.182 . 0 0 "[ . 1 . 2]" 1
325 1 65 ALA MB 1 66 SER H 1.800 . 5.100 3.212 2.962 3.434 . 0 0 "[ . 1 . 2]" 1
326 1 55 ILE HA 1 66 SER H 1.800 . 4.300 2.964 2.466 3.387 . 0 0 "[ . 1 . 2]" 1
327 1 55 ILE MG 1 66 SER H 1.800 . 5.900 3.977 2.536 5.164 . 0 0 "[ . 1 . 2]" 1
328 1 55 ILE MD 1 66 SER H 1.800 . 5.900 4.751 2.536 5.608 . 0 0 "[ . 1 . 2]" 1
329 1 54 SER HA 1 66 SER H 1.800 . 5.700 5.173 5.009 5.239 . 0 0 "[ . 1 . 2]" 1
330 1 67 THR H 1 67 THR MG 1.800 . 5.900 2.696 1.977 3.941 . 0 0 "[ . 1 . 2]" 1
331 1 66 SER HB3 1 67 THR H 1.800 . 5.300 4.026 2.961 4.429 . 0 0 "[ . 1 . 2]" 1
332 1 66 SER HB2 1 67 THR H 1.800 . 5.300 3.952 2.968 4.407 . 0 0 "[ . 1 . 2]" 1
333 1 66 SER HA 1 67 THR H 1.800 . 3.800 2.190 2.137 2.315 . 0 0 "[ . 1 . 2]" 1
334 1 22 GLN H 1 67 THR H 1.800 . 5.600 5.509 5.208 5.623 0.023 8 0 "[ . 1 . 2]" 1
335 1 22 GLN HA 1 67 THR H 1.800 . 4.400 3.938 3.594 4.356 . 0 0 "[ . 1 . 2]" 1
336 1 68 LEU H 1 69 ASN H 1.800 . 5.900 2.853 1.938 3.585 . 0 0 "[ . 1 . 2]" 1
337 1 67 THR HA 1 68 LEU H 1.800 . 3.800 2.241 2.148 2.587 . 0 0 "[ . 1 . 2]" 1
338 1 67 THR HB 1 68 LEU H 1.800 . 5.000 3.499 2.056 4.179 . 0 0 "[ . 1 . 2]" 1
339 1 67 THR MG 1 68 LEU H 1.800 . 5.300 3.752 2.276 4.111 . 0 0 "[ . 1 . 2]" 1
340 1 53 LEU HA 1 68 LEU H 1.800 . 4.300 3.622 3.285 4.218 . 0 0 "[ . 1 . 2]" 1
341 1 52 ILE MG 1 68 LEU H 1.800 . 6.300 3.079 1.927 5.662 . 0 0 "[ . 1 . 2]" 1
342 1 53 LEU HB2 1 68 LEU H 1.800 . 6.100 5.928 4.755 6.138 0.038 14 0 "[ . 1 . 2]" 1
343 1 53 LEU HB3 1 68 LEU H 1.800 . 5.600 5.425 4.953 5.648 0.048 11 0 "[ . 1 . 2]" 1
344 1 52 ILE HA 1 68 LEU H 1.800 . 5.600 5.259 4.450 5.651 0.051 16 0 "[ . 1 . 2]" 1
345 1 68 LEU MD1 1 69 ASN H 1.800 . 5.400 5.061 3.676 5.424 0.024 4 0 "[ . 1 . 2]" 1
346 1 68 LEU HB2 1 69 ASN H 1.800 . 5.100 4.464 3.500 4.644 . 0 0 "[ . 1 . 2]" 1
347 1 68 LEU HA 1 69 ASN H 1.800 . 3.800 2.648 2.325 3.467 . 0 0 "[ . 1 . 2]" 1
348 1 20 GLY H 1 69 ASN H 1.800 . 5.100 4.301 3.488 4.869 . 0 0 "[ . 1 . 2]" 1
349 1 19 LYS HA 1 69 ASN H 1.800 . 5.600 4.996 4.041 5.606 0.006 16 0 "[ . 1 . 2]" 1
350 1 69 ASN H 1 70 GLN H 1.800 . 6.500 4.461 4.398 4.557 . 0 0 "[ . 1 . 2]" 1
351 1 69 ASN HA 1 70 GLN H 1.800 . 3.800 2.487 2.316 2.529 . 0 0 "[ . 1 . 2]" 1
352 1 69 ASN HB3 1 70 GLN H 1.800 . 5.100 3.740 2.369 4.062 . 0 0 "[ . 1 . 2]" 1
353 1 70 GLN H 1 70 GLN HG2 1.800 . 5.600 3.503 2.005 4.611 . 0 0 "[ . 1 . 2]" 1
354 1 51 ASP H 1 70 GLN H 1.800 . 6.300 5.586 4.500 6.315 0.015 14 0 "[ . 1 . 2]" 1
355 1 70 GLN HA 1 71 GLY H 1.800 . 3.800 2.318 2.143 2.722 . 0 0 "[ . 1 . 2]" 1
356 1 70 GLN HG2 1 71 GLY H 1.800 . 5.700 5.023 3.981 5.677 . 0 0 "[ . 1 . 2]" 1
357 1 70 GLN HB2 1 71 GLY H 1.800 . 5.500 4.128 1.961 4.622 . 0 0 "[ . 1 . 2]" 1
358 1 71 GLY H 1 90 VAL H 1.800 . 4.300 3.870 3.268 4.179 . 0 0 "[ . 1 . 2]" 1
359 1 71 GLY H 1 90 VAL HA 1.800 . 5.300 5.126 4.467 5.320 0.020 15 0 "[ . 1 . 2]" 1
360 1 71 GLY H 1 89 LYS HA 1.800 . 5.900 5.600 4.997 5.916 0.016 10 0 "[ . 1 . 2]" 1
361 1 71 GLY H 1 90 VAL HB 1.800 . 5.700 3.679 1.989 5.457 . 0 0 "[ . 1 . 2]" 1
362 1 71 GLY H 1 90 VAL MG2 1.800 . 5.900 3.849 1.872 4.896 . 0 0 "[ . 1 . 2]" 1
363 1 71 GLY H 1 91 THR MG 1.800 . 5.500 4.537 4.124 5.068 . 0 0 "[ . 1 . 2]" 1
364 1 71 GLY H 1 91 THR HA 1.800 . 4.300 4.135 3.519 4.322 0.022 7 0 "[ . 1 . 2]" 1
365 1 71 GLY HA3 1 72 ASN H 1.800 . 4.600 2.174 2.137 2.542 . 0 0 "[ . 1 . 2]" 1
366 1 71 GLY HA2 1 72 ASN H 1.800 . 4.300 3.154 2.584 3.358 . 0 0 "[ . 1 . 2]" 1
367 1 72 ASN HA 1 73 VAL H 1.800 . 3.800 2.233 2.151 2.343 . 0 0 "[ . 1 . 2]" 1
368 1 72 ASN HB2 1 73 VAL H 1.800 . 5.400 2.966 2.628 3.317 . 0 0 "[ . 1 . 2]" 1
369 1 72 ASN HB3 1 73 VAL H 1.800 . 5.400 4.078 3.749 4.306 . 0 0 "[ . 1 . 2]" 1
370 1 73 VAL H 1 89 LYS HA 1.800 . 4.300 2.977 2.779 3.209 . 0 0 "[ . 1 . 2]" 1
371 1 73 VAL H 1 89 LYS HB2 1.800 . 5.500 5.495 5.372 5.537 0.037 15 0 "[ . 1 . 2]" 1
372 1 73 VAL H 1 88 PHE H 1.800 . 3.900 3.802 3.401 3.910 0.010 9 0 "[ . 1 . 2]" 1
373 1 73 VAL H 1 88 PHE HB2 1.800 . 5.600 4.192 3.730 5.597 . 0 0 "[ . 1 . 2]" 1
374 1 73 VAL H 1 87 ASP HA 1.800 . 5.900 5.634 5.152 5.904 0.004 6 0 "[ . 1 . 2]" 1
375 1 73 VAL HA 1 74 LYS H 1.800 . 3.800 2.207 2.190 2.306 . 0 0 "[ . 1 . 2]" 1
376 1 73 VAL HB 1 74 LYS H 1.800 . 5.000 3.565 2.630 4.065 . 0 0 "[ . 1 . 2]" 1
377 1 73 VAL MG2 1 74 LYS H 1.800 . 5.700 3.643 2.065 4.060 . 0 0 "[ . 1 . 2]" 1
378 1 74 LYS HA 1 75 VAL H 1.800 . 3.800 2.147 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
379 1 74 LYS HB2 1 75 VAL H 1.800 . 4.500 4.422 4.111 4.542 0.042 15 0 "[ . 1 . 2]" 1
380 1 75 VAL H 1 75 VAL MG2 1.800 . 5.700 2.402 1.892 2.708 . 0 0 "[ . 1 . 2]" 1
381 1 75 VAL H 1 85 SER HA 1.800 . 5.900 5.592 4.927 5.930 0.030 14 0 "[ . 1 . 2]" 1
382 1 75 VAL H 1 86 THR HA 1.800 . 5.700 5.401 4.722 5.714 0.014 20 0 "[ . 1 . 2]" 1
383 1 75 VAL H 1 86 THR H 1.800 . 4.200 3.811 2.941 4.143 . 0 0 "[ . 1 . 2]" 1
384 1 75 VAL H 1 86 THR HB 1.800 . 5.900 5.621 3.313 5.956 0.056 19 0 "[ . 1 . 2]" 1
385 1 75 VAL H 1 87 ASP HA 1.800 . 4.500 3.522 3.180 3.742 . 0 0 "[ . 1 . 2]" 1
386 1 75 VAL H 1 87 ASP HB2 1.800 . 5.700 5.617 5.132 5.733 0.033 15 0 "[ . 1 . 2]" 1
387 1 75 VAL HA 1 76 THR H 1.800 . 3.800 2.172 2.139 2.205 . 0 0 "[ . 1 . 2]" 1
388 1 75 VAL HB 1 76 THR H 1.800 . 5.000 3.943 2.985 4.298 . 0 0 "[ . 1 . 2]" 1
389 1 76 THR H 1 76 THR MG 1.800 . 5.700 3.469 2.160 3.963 . 0 0 "[ . 1 . 2]" 1
390 1 75 VAL MG2 1 76 THR H 1.800 . 5.700 4.016 3.724 4.176 . 0 0 "[ . 1 . 2]" 1
391 1 47 SER HA 1 76 THR H 1.800 . 4.300 3.937 3.349 4.351 0.051 16 0 "[ . 1 . 2]" 1
392 1 47 SER HB2 1 76 THR H 1.800 . 5.600 5.629 5.600 5.667 0.067 13 0 "[ . 1 . 2]" 1
393 1 46 ASP HB2 1 76 THR H 1.800 . 6.000 4.255 3.260 5.416 . 0 0 "[ . 1 . 2]" 1
394 1 46 ASP HA 1 76 THR H 1.800 . 5.600 4.981 4.486 5.421 . 0 0 "[ . 1 . 2]" 1
395 1 47 SER H 1 76 THR H 1.800 . 6.000 5.226 4.560 5.752 . 0 0 "[ . 1 . 2]" 1
396 1 76 THR MG 1 77 ALA H 1.800 . 5.300 3.162 2.354 4.050 . 0 0 "[ . 1 . 2]" 1
397 1 76 THR HB 1 77 ALA H 1.800 . 5.000 3.423 2.668 4.140 . 0 0 "[ . 1 . 2]" 1
398 1 76 THR HA 1 77 ALA H 1.800 . 4.000 2.200 2.146 2.305 . 0 0 "[ . 1 . 2]" 1
399 1 77 ALA H 1 85 SER H 1.800 . 5.700 5.119 4.913 5.524 . 0 0 "[ . 1 . 2]" 1
400 1 77 ALA H 1 85 SER HA 1.800 . 4.500 3.423 2.821 4.210 . 0 0 "[ . 1 . 2]" 1
401 1 77 ALA H 1 85 SER HB3 1.800 . 5.600 4.517 3.126 5.434 . 0 0 "[ . 1 . 2]" 1
402 1 77 ALA H 1 84 GLY HA3 1.800 . 5.200 4.654 4.094 5.246 0.046 16 0 "[ . 1 . 2]" 1
403 1 77 ALA H 1 84 GLY HA2 1.800 . 5.200 5.215 5.164 5.248 0.048 15 0 "[ . 1 . 2]" 1
404 1 77 ALA H 1 84 GLY H 1.800 . 4.000 3.631 3.106 3.931 . 0 0 "[ . 1 . 2]" 1
405 1 77 ALA H 1 83 GLN HB2 1.800 . 5.900 4.776 3.978 5.922 0.022 8 0 "[ . 1 . 2]" 1
406 1 77 ALA H 1 83 GLN HA 1.800 . 5.900 5.606 4.950 5.944 0.044 6 0 "[ . 1 . 2]" 1
407 1 77 ALA HA 1 78 SER H 1.800 . 3.800 2.221 2.171 2.405 . 0 0 "[ . 1 . 2]" 1
408 1 44 THR HB 1 78 SER H 1.800 . 5.700 3.694 2.521 4.773 . 0 0 "[ . 1 . 2]" 1
409 1 44 THR HA 1 78 SER H 1.800 . 5.400 5.214 4.702 5.438 0.038 15 0 "[ . 1 . 2]" 1
410 1 44 THR MG 1 78 SER H 1.800 . 5.700 4.874 4.007 5.296 . 0 0 "[ . 1 . 2]" 1
411 1 43 VAL HA 1 78 SER H 1.800 . 5.900 4.926 4.181 5.602 . 0 0 "[ . 1 . 2]" 1
412 1 78 SER HA 1 79 ILE H 1.800 . 3.800 2.197 2.185 2.203 . 0 0 "[ . 1 . 2]" 1
413 1 78 SER HB2 1 79 ILE H 1.800 . 5.400 3.772 3.028 4.372 . 0 0 "[ . 1 . 2]" 1
414 1 78 SER HB3 1 79 ILE H 1.800 . 5.400 3.707 3.034 4.211 . 0 0 "[ . 1 . 2]" 1
415 1 79 ILE H 1 82 ILE H 1.800 . 5.900 4.766 3.115 5.990 0.090 5 0 "[ . 1 . 2]" 1
416 1 79 ILE H 1 80 GLY H 1.800 . 6.000 4.166 4.024 4.395 . 0 0 "[ . 1 . 2]" 1
417 1 80 GLY H 1 81 GLY H 1.800 . 6.000 4.362 4.215 4.568 . 0 0 "[ . 1 . 2]" 1
418 1 79 ILE HA 1 80 GLY H 1.800 . 3.800 2.155 2.144 2.218 . 0 0 "[ . 1 . 2]" 1
419 1 79 ILE HB 1 80 GLY H 1.800 . 5.300 4.236 3.985 4.431 . 0 0 "[ . 1 . 2]" 1
420 1 79 ILE MD 1 80 GLY H 1.800 . 5.600 3.649 2.185 4.680 . 0 0 "[ . 1 . 2]" 1
421 1 79 ILE MG 1 80 GLY H 1.800 . 5.400 4.043 2.983 4.194 . 0 0 "[ . 1 . 2]" 1
422 1 79 ILE H 1 81 GLY H 1.800 . 5.900 5.213 4.764 5.836 . 0 0 "[ . 1 . 2]" 1
423 1 81 GLY H 1 82 ILE HB 1.800 . 5.900 4.814 4.004 5.907 0.007 12 0 "[ . 1 . 2]" 1
424 1 79 ILE HA 1 81 GLY H 1.800 . 6.000 5.531 5.247 6.005 0.005 20 0 "[ . 1 . 2]" 1
425 1 81 GLY H 1 82 ILE MG 1.800 . 6.000 5.100 2.813 6.122 0.122 5 0 "[ . 1 . 2]" 1
426 1 81 GLY H 1 82 ILE MD 1.800 . 6.000 4.823 2.368 5.801 . 0 0 "[ . 1 . 2]" 1
427 1 81 GLY HA2 1 82 ILE H 1.800 . 4.600 3.299 2.217 3.569 . 0 0 "[ . 1 . 2]" 1
428 1 81 GLY HA3 1 82 ILE H 1.800 . 4.300 2.812 2.228 3.569 . 0 0 "[ . 1 . 2]" 1
429 1 82 ILE H 1 82 ILE MG 1.800 . 5.300 3.410 2.081 4.005 . 0 0 "[ . 1 . 2]" 1
430 1 82 ILE HA 1 83 GLN H 1.800 . 3.800 2.284 2.227 2.325 . 0 0 "[ . 1 . 2]" 1
431 1 82 ILE MG 1 83 GLN H 1.800 . 6.300 2.515 1.914 3.930 . 0 0 "[ . 1 . 2]" 1
432 1 8 ILE H 1 83 GLN H 1.800 . 6.200 6.230 6.016 6.320 0.120 8 0 "[ . 1 . 2]" 1
433 1 10 VAL H 1 83 GLN H 1.800 . 6.200 6.203 5.906 6.298 0.098 9 0 "[ . 1 . 2]" 1
434 1 83 GLN HA 1 84 GLY H 1.800 . 3.800 2.360 2.181 2.398 . 0 0 "[ . 1 . 2]" 1
435 1 83 GLN HB3 1 84 GLY H 1.800 . 5.500 3.855 3.604 4.183 . 0 0 "[ . 1 . 2]" 1
436 1 83 GLN HB2 1 84 GLY H 1.800 . 5.300 2.583 2.452 3.139 . 0 0 "[ . 1 . 2]" 1
437 1 77 ALA HA 1 84 GLY H 1.800 . 5.700 5.114 4.854 5.577 . 0 0 "[ . 1 . 2]" 1
438 1 77 ALA MB 1 84 GLY H 1.800 . 5.800 3.863 3.218 4.412 . 0 0 "[ . 1 . 2]" 1
439 1 78 SER HA 1 84 GLY H 1.800 . 4.300 3.132 2.759 3.802 . 0 0 "[ . 1 . 2]" 1
440 1 76 THR HA 1 84 GLY H 1.800 . 5.900 5.437 4.845 5.843 . 0 0 "[ . 1 . 2]" 1
441 1 76 THR MG 1 84 GLY H 1.800 . 6.500 5.287 3.946 6.502 0.002 10 0 "[ . 1 . 2]" 1
442 1 84 GLY HA2 1 85 SER H 1.800 . 4.300 2.298 2.217 2.499 . 0 0 "[ . 1 . 2]" 1
443 1 84 GLY HA3 1 85 SER H 1.800 . 4.300 2.880 2.628 2.999 . 0 0 "[ . 1 . 2]" 1
444 1 85 SER HA 1 86 THR H 1.800 . 3.800 2.233 2.175 2.342 . 0 0 "[ . 1 . 2]" 1
445 1 85 SER HB2 1 86 THR H 1.800 . 5.300 3.273 2.630 4.199 . 0 0 "[ . 1 . 2]" 1
446 1 75 VAL HB 1 86 THR H 1.800 . 5.500 3.609 1.944 5.466 . 0 0 "[ . 1 . 2]" 1
447 1 76 THR HA 1 86 THR H 1.800 . 4.300 3.681 2.843 4.310 0.010 9 0 "[ . 1 . 2]" 1
448 1 75 VAL HA 1 86 THR H 1.800 . 5.600 5.117 4.387 5.618 0.018 19 0 "[ . 1 . 2]" 1
449 1 76 THR MG 1 86 THR H 1.800 . 5.700 4.262 2.874 5.666 . 0 0 "[ . 1 . 2]" 1
450 1 75 VAL MG2 1 86 THR H 1.800 . 5.200 4.432 2.046 5.235 0.035 20 0 "[ . 1 . 2]" 1
451 1 86 THR HA 1 87 ASP H 1.800 . 3.800 2.277 2.184 2.309 . 0 0 "[ . 1 . 2]" 1
452 1 86 THR HB 1 87 ASP H 1.800 . 4.800 3.533 2.680 3.966 . 0 0 "[ . 1 . 2]" 1
453 1 14 ASN HA 1 87 ASP H 1.800 . 4.100 1.990 1.930 2.220 . 0 0 "[ . 1 . 2]" 1
454 1 14 ASN HB3 1 87 ASP H 1.800 . 6.100 3.027 2.375 3.844 . 0 0 "[ . 1 . 2]" 1
455 1 13 THR HA 1 87 ASP H 1.800 . 5.900 5.409 5.090 5.649 . 0 0 "[ . 1 . 2]" 1
456 1 13 THR H 1 87 ASP H 1.800 . 4.900 4.877 4.458 4.928 0.028 15 0 "[ . 1 . 2]" 1
457 1 15 SER HA 1 87 ASP H 1.800 . 6.000 6.042 6.014 6.132 0.132 16 0 "[ . 1 . 2]" 1
458 1 87 ASP HA 1 88 PHE H 1.800 . 3.800 2.154 2.147 2.184 . 0 0 "[ . 1 . 2]" 1
459 1 87 ASP HB2 1 88 PHE H 1.800 . 5.600 4.160 3.981 4.366 . 0 0 "[ . 1 . 2]" 1
460 1 74 LYS H 1 88 PHE H 1.800 . 5.900 5.039 4.779 5.285 . 0 0 "[ . 1 . 2]" 1
461 1 73 VAL MG2 1 88 PHE H 1.800 . 6.000 4.291 3.040 5.420 . 0 0 "[ . 1 . 2]" 1
462 1 73 VAL HB 1 88 PHE H 1.800 . 5.900 4.685 3.205 5.853 . 0 0 "[ . 1 . 2]" 1
463 1 74 LYS HA 1 88 PHE H 1.800 . 4.300 3.146 2.721 3.597 . 0 0 "[ . 1 . 2]" 1
464 1 72 ASN HA 1 88 PHE H 1.800 . 5.900 5.632 5.047 5.913 0.013 7 0 "[ . 1 . 2]" 1
465 1 72 ASN HB2 1 88 PHE H 1.800 . 6.500 5.385 4.844 5.909 . 0 0 "[ . 1 . 2]" 1
466 1 88 PHE HA 1 89 LYS H 1.800 . 3.800 2.155 2.139 2.190 . 0 0 "[ . 1 . 2]" 1
467 1 88 PHE HB2 1 89 LYS H 1.800 . 5.300 4.423 4.221 4.556 . 0 0 "[ . 1 . 2]" 1
468 1 88 PHE HB3 1 89 LYS H 1.800 . 5.300 3.541 3.113 4.425 . 0 0 "[ . 1 . 2]" 1
469 1 16 THR MG 1 89 LYS H 1.800 . 5.300 3.896 3.178 4.946 . 0 0 "[ . 1 . 2]" 1
470 1 16 THR HB 1 89 LYS H 1.800 . 4.900 3.952 3.779 4.265 . 0 0 "[ . 1 . 2]" 1
471 1 17 VAL HA 1 89 LYS H 1.800 . 6.000 5.518 5.188 5.858 . 0 0 "[ . 1 . 2]" 1
472 1 15 SER HB3 1 89 LYS H 1.800 . 6.000 5.587 5.242 6.015 0.015 1 0 "[ . 1 . 2]" 1
473 1 89 LYS HA 1 90 VAL H 1.800 . 3.800 2.148 2.141 2.154 . 0 0 "[ . 1 . 2]" 1
474 1 89 LYS HB2 1 90 VAL H 1.800 . 5.000 4.537 4.442 4.582 . 0 0 "[ . 1 . 2]" 1
475 1 71 GLY HA3 1 90 VAL H 1.800 . 5.600 5.357 4.599 5.605 0.005 9 0 "[ . 1 . 2]" 1
476 1 72 ASN HA 1 90 VAL H 1.800 . 4.200 2.852 2.451 3.384 . 0 0 "[ . 1 . 2]" 1
477 1 70 GLN HA 1 90 VAL H 1.800 . 5.900 5.565 4.369 5.917 0.017 14 0 "[ . 1 . 2]" 1
478 1 72 ASN HB2 1 90 VAL H 1.800 . 5.600 5.066 4.577 5.602 0.002 3 0 "[ . 1 . 2]" 1
479 1 90 VAL HA 1 91 THR H 1.800 . 3.800 2.152 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
480 1 90 VAL HB 1 91 THR H 1.800 . 5.300 4.218 3.544 4.402 . 0 0 "[ . 1 . 2]" 1
481 1 90 VAL MG2 1 91 THR H 1.800 . 6.200 3.617 2.392 4.243 . 0 0 "[ . 1 . 2]" 1
482 1 19 LYS H 1 91 THR H 1.800 . 4.900 4.425 3.304 4.886 . 0 0 "[ . 1 . 2]" 1
483 1 17 VAL HA 1 91 THR H 1.800 . 5.900 5.916 5.877 5.967 0.067 16 0 "[ . 1 . 2]" 1
484 1 18 ALA HA 1 91 THR H 1.800 . 4.300 3.775 3.352 4.178 . 0 0 "[ . 1 . 2]" 1
485 1 18 ALA MB 1 91 THR H 1.800 . 5.600 5.163 4.777 5.483 . 0 0 "[ . 1 . 2]" 1
486 1 19 LYS HA 1 91 THR H 1.800 . 6.000 4.826 3.615 6.009 0.009 16 0 "[ . 1 . 2]" 1
487 1 91 THR HA 1 92 GLN H 1.800 . 3.800 2.321 2.206 2.499 . 0 0 "[ . 1 . 2]" 1
488 1 91 THR HB 1 92 GLN H 1.800 . 4.600 2.639 2.222 3.045 . 0 0 "[ . 1 . 2]" 1
489 1 91 THR MG 1 92 GLN H 1.800 . 5.600 3.598 3.138 3.973 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 160
_Distance_constraint_stats_list.Viol_total 115.530
_Distance_constraint_stats_list.Viol_max 0.152
_Distance_constraint_stats_list.Viol_rms 0.0237
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0361
_Distance_constraint_stats_list.Viol_average_violations_only 0.0361
_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 23 GLU 2.865 0.102 19 0 "[ . 1 . 2]"
1 54 SER 2.911 0.152 15 0 "[ . 1 . 2]"
1 65 ALA 2.865 0.102 19 0 "[ . 1 . 2]"
1 66 SER 2.911 0.152 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 GLU H 1 65 ALA O 2.000 . 2.000 2.052 2.029 2.102 0.102 19 0 "[ . 1 . 2]" 2
2 1 23 GLU N 1 65 ALA O 3.000 3.000 3.000 2.967 2.928 3.007 0.072 16 0 "[ . 1 . 2]" 2
3 1 23 GLU O 1 65 ALA H 2.000 . 2.000 2.022 2.005 2.038 0.038 7 0 "[ . 1 . 2]" 2
4 1 23 GLU O 1 65 ALA N 3.000 3.000 3.000 2.965 2.913 2.990 0.087 13 0 "[ . 1 . 2]" 2
5 1 54 SER O 1 66 SER H 2.000 . 2.000 2.031 2.014 2.052 0.052 3 0 "[ . 1 . 2]" 2
6 1 54 SER O 1 66 SER N 3.000 3.000 3.000 2.937 2.848 2.975 0.152 15 0 "[ . 1 . 2]" 2
7 1 54 SER H 1 66 SER O 2.000 . 2.000 2.041 2.014 2.109 0.109 15 0 "[ . 1 . 2]" 2
8 1 54 SER N 1 66 SER O 3.000 3.000 3.000 2.993 2.974 3.021 0.026 17 0 "[ . 1 . 2]" 2
stop_
save_
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