NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396570 |
1sjq   |
6178 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sjq
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 132
_Distance_constraint_stats_list.Viol_count 281
_Distance_constraint_stats_list.Viol_total 158.147
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0352
_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 14 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 16 SER 0.003 0.003 1 0 "[ . 1 . ]"
1 17 ARG 0.028 0.007 10 0 "[ . 1 . ]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ILE 0.545 0.080 6 0 "[ . 1 . ]"
1 20 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 21 ILE 0.004 0.003 1 0 "[ . 1 . ]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 24 LEU 0.183 0.039 15 0 "[ . 1 . ]"
1 25 PRO 0.179 0.068 4 0 "[ . 1 . ]"
1 26 ILE 2.260 0.102 4 0 "[ . 1 . ]"
1 27 ASP 0.079 0.068 4 0 "[ . 1 . ]"
1 28 VAL 0.091 0.039 15 0 "[ . 1 . ]"
1 30 GLU 0.437 0.057 4 0 "[ . 1 . ]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 32 GLU 0.083 0.023 8 0 "[ . 1 . ]"
1 33 VAL 1.413 0.247 6 0 "[ . 1 . ]"
1 34 ILE 0.212 0.036 3 0 "[ . 1 . ]"
1 35 SER 0.006 0.003 10 0 "[ . 1 . ]"
1 36 LEU 0.124 0.029 14 0 "[ . 1 . ]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 38 LEU 0.540 0.059 5 0 "[ . 1 . ]"
1 39 PRO 0.047 0.016 13 0 "[ . 1 . ]"
1 40 PHE 0.031 0.017 15 0 "[ . 1 . ]"
1 41 GLY 0.256 0.084 6 0 "[ . 1 . ]"
1 42 LYS 0.368 0.084 6 0 "[ . 1 . ]"
1 43 VAL 0.204 0.036 3 0 "[ . 1 . ]"
1 44 THR 0.484 0.061 7 0 "[ . 1 . ]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 46 LEU 1.020 0.101 13 0 "[ . 1 . ]"
1 47 LEU 0.006 0.005 11 0 "[ . 1 . ]"
1 48 MET 2.387 0.102 4 0 "[ . 1 . ]"
1 49 LEU 0.081 0.070 4 0 "[ . 1 . ]"
1 50 LYS 0.994 0.101 13 0 "[ . 1 . ]"
1 52 LYS 0.420 0.085 4 0 "[ . 1 . ]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 54 GLN 0.424 0.085 4 0 "[ . 1 . ]"
1 55 ALA 0.079 0.070 4 0 "[ . 1 . ]"
1 56 PHE 0.006 0.003 1 0 "[ . 1 . ]"
1 57 ILE 0.651 0.080 6 0 "[ . 1 . ]"
1 58 GLU 0.055 0.055 16 0 "[ . 1 . ]"
1 59 MET 0.773 0.084 6 0 "[ . 1 . ]"
1 60 ASN 0.512 0.061 7 0 "[ . 1 . ]"
1 61 THR 0.645 0.059 5 0 "[ . 1 . ]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 64 ALA 0.645 0.059 5 0 "[ . 1 . ]"
1 65 ALA 0.086 0.029 14 0 "[ . 1 . ]"
1 66 ASN 0.019 0.017 15 0 "[ . 1 . ]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 68 MET 0.048 0.021 16 0 "[ . 1 . ]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 70 ASN 1.856 0.144 14 0 "[ . 1 . ]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 72 TYR 0.014 0.007 14 0 "[ . 1 . ]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 76 THR 1.261 0.103 1 0 "[ . 1 . ]"
1 77 PRO 1.179 0.103 1 0 "[ . 1 . ]"
1 78 VAL 0.334 0.058 15 0 "[ . 1 . ]"
1 79 LEU 1.511 0.247 6 0 "[ . 1 . ]"
1 80 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 81 GLY 1.046 0.247 6 0 "[ . 1 . ]"
1 82 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 83 PRO 0.182 0.024 4 0 "[ . 1 . ]"
1 84 ILE 0.601 0.079 15 0 "[ . 1 . ]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 86 ILE 1.856 0.144 14 0 "[ . 1 . ]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 88 PHE 0.003 0.003 1 0 "[ . 1 . ]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 91 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . ]"
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 20 HIS QB 1 87 GLN QB 5.500 . 5.500 3.341 2.161 4.531 . 0 0 "[ . 1 . ]" 1
2 1 23 LYS QB 1 84 ILE H 4.940 . 4.940 2.175 1.901 2.634 . 0 0 "[ . 1 . ]" 1
3 1 23 LYS QB 1 84 ILE HA 3.150 . 3.150 2.527 2.508 2.540 . 0 0 "[ . 1 . ]" 1
4 1 20 HIS H 1 88 PHE HA 3.940 . 3.940 2.630 2.052 3.107 . 0 0 "[ . 1 . ]" 1
5 1 39 PRO QB 1 40 PHE H 4.940 . 4.940 2.479 2.073 2.928 . 0 0 "[ . 1 . ]" 1
6 1 45 ASN QB 1 47 LEU H 4.410 . 4.410 3.403 2.958 3.999 . 0 0 "[ . 1 . ]" 1
7 1 21 ILE MG 1 55 ALA H 4.410 . 4.410 2.725 2.553 3.402 . 0 0 "[ . 1 . ]" 1
8 1 43 VAL QG 1 60 ASN H 3.940 . 3.940 2.531 2.107 3.772 . 0 0 "[ . 1 . ]" 1
9 1 79 LEU H 1 82 GLN QB 4.940 . 4.940 3.066 2.519 3.458 . 0 0 "[ . 1 . ]" 1
10 1 78 VAL QG 1 81 GLY H 3.150 . 3.150 2.396 1.842 3.188 0.058 15 0 "[ . 1 . ]" 1
11 1 79 LEU H 1 84 ILE H 5.500 . 5.500 4.214 3.432 4.914 . 0 0 "[ . 1 . ]" 1
12 1 76 THR MG 1 84 ILE H 4.410 . 4.410 3.085 2.558 3.507 . 0 0 "[ . 1 . ]" 1
13 1 78 VAL QG 1 84 ILE H 3.150 . 3.150 3.115 2.908 3.194 0.044 7 0 "[ . 1 . ]" 1
14 1 20 HIS HD2 1 56 PHE QD 5.500 . 5.500 3.704 2.163 4.563 . 0 0 "[ . 1 . ]" 1
15 1 20 HIS HD2 1 56 PHE QE 5.500 . 5.500 3.407 2.756 4.140 . 0 0 "[ . 1 . ]" 1
16 1 18 VAL QG 1 56 PHE QD 4.940 . 4.940 2.429 2.177 2.606 . 0 0 "[ . 1 . ]" 1
17 1 68 MET HB2 1 72 TYR QD 5.500 . 5.500 4.003 2.890 5.083 . 0 0 "[ . 1 . ]" 1
18 1 22 ARG QB 1 85 TYR QD 4.410 . 4.410 3.090 2.200 4.252 . 0 0 "[ . 1 . ]" 1
19 1 22 ARG QB 1 85 TYR QE 5.500 . 5.500 3.398 2.086 5.000 . 0 0 "[ . 1 . ]" 1
20 1 14 VAL QG 1 88 PHE QD 4.410 . 4.410 2.441 1.961 3.093 . 0 0 "[ . 1 . ]" 1
21 1 14 VAL QG 1 88 PHE QE 5.500 . 5.500 2.742 2.222 3.352 . 0 0 "[ . 1 . ]" 1
22 1 16 SER HA 1 88 PHE HZ 3.940 . 3.940 2.453 1.897 3.838 0.003 1 0 "[ . 1 . ]" 1
23 1 26 ILE HA 1 26 ILE HB 2.500 . 2.500 2.541 2.242 2.602 0.102 4 0 "[ . 1 . ]" 1
24 1 26 ILE MD 1 27 ASP HA 4.940 . 4.940 3.256 3.017 3.608 . 0 0 "[ . 1 . ]" 1
25 1 31 GLY QA 1 33 VAL MG2 4.940 . 4.940 3.575 2.960 3.903 . 0 0 "[ . 1 . ]" 1
26 1 36 LEU HA 1 39 PRO QB 3.520 . 3.520 3.453 3.154 3.536 0.016 13 0 "[ . 1 . ]" 1
27 1 34 ILE MD 1 37 GLY QA 5.500 . 5.500 3.190 2.779 3.465 . 0 0 "[ . 1 . ]" 1
28 1 40 PHE HA 1 41 GLY H 4.940 . 4.940 3.384 3.082 3.510 . 0 0 "[ . 1 . ]" 1
29 1 41 GLY H 1 41 GLY QA 2.500 . 2.500 2.024 1.971 2.052 . 0 0 "[ . 1 . ]" 1
30 1 42 LYS HA 1 42 LYS QE 5.500 . 5.500 4.077 3.009 4.893 . 0 0 "[ . 1 . ]" 1
31 1 37 GLY QA 1 43 VAL HA 5.500 . 5.500 4.837 4.533 5.133 . 0 0 "[ . 1 . ]" 1
32 1 21 ILE MG 1 53 ASN HA 5.500 . 5.500 4.555 3.834 4.923 . 0 0 "[ . 1 . ]" 1
33 1 49 LEU QB 1 54 GLN HA 5.500 . 5.500 4.791 4.226 5.118 . 0 0 "[ . 1 . ]" 1
34 1 21 ILE MG 1 54 GLN HA 4.940 . 4.940 3.366 3.163 3.487 . 0 0 "[ . 1 . ]" 1
35 1 49 LEU QB 1 55 ALA HA 4.940 . 4.940 3.617 2.228 3.956 . 0 0 "[ . 1 . ]" 1
36 1 26 ILE MD 1 55 ALA HA 3.520 . 3.520 2.418 1.974 3.590 0.070 4 0 "[ . 1 . ]" 1
37 1 21 ILE MG 1 55 ALA HA 5.500 . 5.500 3.729 3.385 4.172 . 0 0 "[ . 1 . ]" 1
38 1 19 ILE QG 1 56 PHE HA 5.500 . 5.500 3.480 2.967 4.765 . 0 0 "[ . 1 . ]" 1
39 1 34 ILE MD 1 59 MET HA 5.500 . 5.500 4.175 3.931 4.427 . 0 0 "[ . 1 . ]" 1
40 1 64 ALA MB 1 65 ALA HA 5.500 . 5.500 3.725 3.650 3.791 . 0 0 "[ . 1 . ]" 1
41 1 19 ILE QG 1 65 ALA HA 4.940 . 4.940 2.778 2.208 3.769 . 0 0 "[ . 1 . ]" 1
42 1 40 PHE QD 1 68 MET HA 4.940 . 4.940 2.769 2.234 3.164 . 0 0 "[ . 1 . ]" 1
43 1 72 TYR HA 1 73 THR HA 4.940 . 4.940 4.047 3.635 4.349 . 0 0 "[ . 1 . ]" 1
44 1 76 THR HA 1 76 THR MG 2.500 . 2.500 2.574 2.554 2.603 0.103 1 0 "[ . 1 . ]" 1
45 1 76 THR HA 1 78 VAL QG 5.500 . 5.500 4.811 4.394 5.004 . 0 0 "[ . 1 . ]" 1
46 1 79 LEU HA 1 79 LEU QD 2.810 . 2.810 2.387 1.894 2.889 0.079 15 0 "[ . 1 . ]" 1
47 1 78 VAL QG 1 81 GLY QA 5.500 . 5.500 2.521 2.464 2.586 . 0 0 "[ . 1 . ]" 1
48 1 23 LYS QG 1 84 ILE HA 4.940 . 4.940 4.043 3.625 4.499 . 0 0 "[ . 1 . ]" 1
49 1 77 PRO QG 1 85 TYR HA 4.940 . 4.940 3.648 2.563 4.684 . 0 0 "[ . 1 . ]" 1
50 1 87 GLN HA 1 87 GLN QB 2.810 . 2.810 2.083 1.931 2.285 . 0 0 "[ . 1 . ]" 1
51 1 18 VAL QG 1 59 MET H 5.500 . 5.500 3.689 2.358 4.220 . 0 0 "[ . 1 . ]" 1
52 1 18 VAL QG 1 58 GLU QB 4.410 . 4.410 3.709 2.756 4.398 . 0 0 "[ . 1 . ]" 1
53 1 19 ILE MG 1 21 ILE H 5.500 . 5.500 3.678 2.600 4.095 . 0 0 "[ . 1 . ]" 1
54 1 19 ILE MD 1 88 PHE QR 3.520 . 3.520 2.298 1.903 2.920 . 0 0 "[ . 1 . ]" 1
55 1 19 ILE MD 1 88 PHE HA 5.500 . 5.500 3.069 2.386 4.041 . 0 0 "[ . 1 . ]" 1
56 1 21 ILE MD 1 56 PHE H 3.940 . 3.940 3.690 3.054 3.943 0.003 1 0 "[ . 1 . ]" 1
57 1 21 ILE MD 1 22 ARG H 5.500 . 5.500 3.846 3.501 4.102 . 0 0 "[ . 1 . ]" 1
58 1 22 ARG H 1 24 LEU QD 4.410 . 4.410 2.793 2.606 3.448 . 0 0 "[ . 1 . ]" 1
59 1 24 LEU H 1 24 LEU QD 4.410 . 4.410 3.697 3.333 3.903 . 0 0 "[ . 1 . ]" 1
60 1 24 LEU QD 1 25 PRO QD 3.520 . 3.520 2.110 1.891 2.792 0.009 11 0 "[ . 1 . ]" 1
61 1 25 PRO HA 1 26 ILE MG 3.520 . 3.520 3.265 3.026 3.588 0.068 4 0 "[ . 1 . ]" 1
62 1 26 ILE QG 1 26 ILE MG 3.150 . 3.150 1.995 1.835 2.327 0.065 3 0 "[ . 1 . ]" 1
63 1 25 PRO QD 1 28 VAL QG 4.410 . 4.410 3.329 2.900 3.538 . 0 0 "[ . 1 . ]" 1
64 1 33 VAL MG1 1 37 GLY QA 5.500 . 5.500 4.232 3.988 4.555 . 0 0 "[ . 1 . ]" 1
65 1 25 PRO QB 1 33 VAL MG2 4.410 . 4.410 2.925 2.708 3.138 . 0 0 "[ . 1 . ]" 1
66 1 34 ILE MG 1 35 SER HA 3.940 . 3.940 3.339 2.977 3.833 . 0 0 "[ . 1 . ]" 1
67 1 30 GLU QB 1 34 ILE MG 3.150 . 3.150 2.656 1.883 3.154 0.017 4 0 "[ . 1 . ]" 1
68 1 34 ILE MD 1 35 SER H 5.500 . 5.500 4.167 3.997 4.416 . 0 0 "[ . 1 . ]" 1
69 1 30 GLU QB 1 34 ILE MD 3.940 . 3.940 1.911 1.864 2.237 0.036 3 0 "[ . 1 . ]" 1
70 1 34 ILE MD 1 46 LEU QB 5.500 . 5.500 2.523 1.893 3.246 0.007 3 0 "[ . 1 . ]" 1
71 1 33 VAL H 1 36 LEU QD 3.520 . 3.520 2.756 1.894 3.375 0.006 4 0 "[ . 1 . ]" 1
72 1 36 LEU QD 1 77 PRO HA 5.500 . 5.500 3.438 2.931 3.842 . 0 0 "[ . 1 . ]" 1
73 1 35 SER HA 1 38 LEU QD 4.410 . 4.410 2.154 1.897 2.496 0.003 10 0 "[ . 1 . ]" 1
74 1 35 SER H 1 38 LEU QD 5.500 . 5.500 3.488 3.294 3.662 . 0 0 "[ . 1 . ]" 1
75 1 35 SER HA 1 38 LEU QD 2.500 . 2.500 2.158 1.899 2.502 0.002 15 0 "[ . 1 . ]" 1
76 1 44 THR H 1 44 THR MG 3.150 . 3.150 2.158 1.839 3.138 0.061 7 0 "[ . 1 . ]" 1
77 1 45 ASN HA 1 46 LEU QD 3.940 . 3.940 3.265 2.458 3.906 . 0 0 "[ . 1 . ]" 1
78 1 26 ILE HA 1 46 LEU QD . . 3.150 2.577 1.898 3.168 0.018 15 0 "[ . 1 . ]" 1
79 1 30 GLU QG 1 46 LEU QD 3.940 . 3.940 1.972 1.878 2.301 0.022 15 0 "[ . 1 . ]" 1
80 1 33 VAL HB 1 46 LEU QD 3.520 . 3.520 2.539 1.889 3.206 0.011 16 0 "[ . 1 . ]" 1
81 1 46 LEU QD 1 47 LEU H 4.410 . 4.410 2.244 1.895 2.681 0.005 11 0 "[ . 1 . ]" 1
82 1 30 GLU H 1 48 MET ME 4.940 . 4.940 4.213 3.884 4.594 . 0 0 "[ . 1 . ]" 1
83 1 33 VAL H 1 48 MET ME 4.940 . 4.940 4.955 4.810 5.025 0.085 4 0 "[ . 1 . ]" 1
84 1 26 ILE HA 1 48 MET ME 2.810 . 2.810 2.716 2.303 2.867 0.057 4 0 "[ . 1 . ]" 1
85 1 30 GLU QG 1 48 MET ME 2.500 . 2.500 2.185 1.978 2.299 . 0 0 "[ . 1 . ]" 1
86 1 26 ILE QG 1 48 MET ME 3.940 . 3.940 3.992 3.947 4.041 0.101 13 0 "[ . 1 . ]" 1
87 1 49 LEU QD 1 56 PHE QR . . 2.810 2.513 1.898 2.803 0.002 5 0 "[ . 1 . ]" 1
88 1 48 MET QB 1 49 LEU QD 4.940 . 4.940 3.219 1.896 3.740 0.004 4 0 "[ . 1 . ]" 1
89 1 26 ILE H 1 55 ALA MB 3.940 . 3.940 3.621 2.605 3.945 0.005 3 0 "[ . 1 . ]" 1
90 1 28 VAL HB 1 55 ALA MB 3.940 . 3.940 3.459 3.186 3.944 0.004 10 0 "[ . 1 . ]" 1
91 1 56 PHE HA 1 57 ILE MG 5.500 . 5.500 3.625 3.426 3.800 . 0 0 "[ . 1 . ]" 1
92 1 46 LEU HA 1 57 ILE MG 3.520 . 3.520 2.728 2.111 3.575 0.055 16 0 "[ . 1 . ]" 1
93 1 35 SER H 1 57 ILE MD 4.940 . 4.940 4.172 3.736 4.497 . 0 0 "[ . 1 . ]" 1
94 1 33 VAL H 1 57 ILE MD 5.500 . 5.500 5.275 5.097 5.529 0.029 14 0 "[ . 1 . ]" 1
95 1 37 GLY QA 1 57 ILE MD 4.940 . 4.940 3.117 2.763 3.357 . 0 0 "[ . 1 . ]" 1
96 1 36 LEU QB 1 57 ILE MD 2.500 . 2.500 2.343 2.002 2.521 0.021 16 0 "[ . 1 . ]" 1
97 1 41 GLY H 1 59 MET ME 2.500 . 2.500 2.512 2.431 2.584 0.084 6 0 "[ . 1 . ]" 1
98 1 19 ILE MD 1 59 MET ME 2.500 . 2.500 2.532 2.506 2.580 0.080 6 0 "[ . 1 . ]" 1
99 1 42 LYS QE 1 61 THR MG 4.410 . 4.410 3.004 2.219 3.665 . 0 0 "[ . 1 . ]" 1
100 1 38 LEU H 1 64 ALA MB 2.500 . 2.500 2.533 2.512 2.559 0.059 5 0 "[ . 1 . ]" 1
101 1 59 MET H 1 64 ALA MB 4.940 . 4.940 4.026 3.863 4.173 . 0 0 "[ . 1 . ]" 1
102 1 42 LYS QG 1 64 ALA MB 5.500 . 5.500 2.246 1.866 4.421 0.034 7 0 "[ . 1 . ]" 1
103 1 59 MET H 1 65 ALA MB 2.810 . 2.810 2.312 2.055 2.672 . 0 0 "[ . 1 . ]" 1
104 1 17 ARG H 1 65 ALA MB 5.500 . 5.500 3.471 2.885 3.944 . 0 0 "[ . 1 . ]" 1
105 1 40 PHE H 1 65 ALA MB 5.500 . 5.500 4.082 2.730 5.517 0.017 15 0 "[ . 1 . ]" 1
106 1 17 ARG HA 1 65 ALA MB 2.500 . 2.500 2.313 1.893 2.507 0.007 10 0 "[ . 1 . ]" 1
107 1 67 THR MG 1 70 ASN QB 4.410 . 4.410 2.433 2.033 2.814 . 0 0 "[ . 1 . ]" 1
108 1 33 VAL H 1 68 MET ME 5.500 . 5.500 4.427 4.133 4.775 . 0 0 "[ . 1 . ]" 1
109 1 40 PHE QD 1 68 MET ME 2.810 . 2.810 2.533 1.893 2.814 0.007 14 0 "[ . 1 . ]" 1
110 1 14 VAL QG 1 66 ASN QD . . 3.520 2.692 1.909 3.492 . 0 0 "[ . 1 . ]" 1
111 1 14 VAL QG 1 16 SER HA 4.940 . 4.940 4.153 3.139 4.860 . 0 0 "[ . 1 . ]" 1
112 1 14 VAL QG 1 66 ASN QB 5.500 . 5.500 3.940 2.752 5.234 . 0 0 "[ . 1 . ]" 1
113 1 76 THR MG 1 78 VAL H 3.520 . 3.520 3.003 2.322 3.499 . 0 0 "[ . 1 . ]" 1
114 1 76 THR MG 1 83 PRO QG 3.940 . 3.940 3.871 3.584 3.964 0.024 4 0 "[ . 1 . ]" 1
115 1 76 THR MG 1 78 VAL QG 3.520 . 3.520 2.418 1.913 2.523 . 0 0 "[ . 1 . ]" 1
116 1 78 VAL QG 1 80 ARG HA 4.940 . 4.940 2.862 2.453 3.259 . 0 0 "[ . 1 . ]" 1
117 1 33 VAL HA 1 79 LEU QD 3.940 . 3.940 3.877 3.357 4.187 0.247 6 0 "[ . 1 . ]" 1
118 1 25 PRO QG 1 79 LEU QD 3.150 . 3.150 2.296 1.877 3.144 0.023 8 0 "[ . 1 . ]" 1
119 1 24 LEU QB 1 79 LEU QD 3.520 . 3.520 2.386 1.861 3.518 0.039 15 0 "[ . 1 . ]" 1
120 1 28 VAL HA 1 79 LEU QD 4.410 . 4.410 3.438 2.703 4.171 . 0 0 "[ . 1 . ]" 1
121 1 25 PRO QD 1 79 LEU QD 5.500 . 5.500 4.340 3.166 5.340 . 0 0 "[ . 1 . ]" 1
122 1 25 PRO QD 1 79 LEU QD 4.940 . 4.940 3.725 2.784 4.542 . 0 0 "[ . 1 . ]" 1
123 1 24 LEU QD 1 79 LEU QD 3.520 . 3.520 2.357 1.880 3.328 0.020 8 0 "[ . 1 . ]" 1
124 1 25 PRO QB 1 84 ILE MG 5.500 . 5.500 3.436 2.540 4.076 . 0 0 "[ . 1 . ]" 1
125 1 70 ASN H 1 86 ILE MG 3.520 . 3.520 3.636 3.582 3.664 0.144 14 0 "[ . 1 . ]" 1
126 1 21 ILE HA 1 86 ILE MG 5.500 . 5.500 3.608 3.268 3.923 . 0 0 "[ . 1 . ]" 1
127 1 21 ILE HA 1 86 ILE MD 5.500 . 5.500 3.905 2.564 4.333 . 0 0 "[ . 1 . ]" 1
128 1 45 ASN QD 1 94 LEU QD 5.500 . 5.500 3.255 2.057 4.555 . 0 0 "[ . 1 . ]" 1
129 1 46 LEU HA 1 94 LEU QD . . 4.940 4.142 3.692 4.581 . 0 0 "[ . 1 . ]" 1
130 1 18 VAL HA 1 94 LEU QD . . 4.940 3.921 3.160 4.557 . 0 0 "[ . 1 . ]" 1
131 1 58 GLU QB 1 94 LEU QD 5.500 . 5.500 3.374 2.702 3.901 . 0 0 "[ . 1 . ]" 1
132 1 34 ILE MG 1 39 PRO QD 5.500 . 5.500 3.252 3.107 3.397 . 0 0 "[ . 1 . ]" 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 691
_Distance_constraint_stats_list.Viol_count 1323
_Distance_constraint_stats_list.Viol_total 714.868
_Distance_constraint_stats_list.Viol_max 0.450
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0338
_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 13 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 14 VAL 1.490 0.337 5 0 "[ . 1 . ]"
1 15 PRO 1.230 0.337 5 0 "[ . 1 . ]"
1 16 SER 0.106 0.038 11 0 "[ . 1 . ]"
1 17 ARG 0.011 0.010 5 0 "[ . 1 . ]"
1 18 VAL 0.038 0.012 7 0 "[ . 1 . ]"
1 19 ILE 0.413 0.065 9 0 "[ . 1 . ]"
1 20 HIS 0.055 0.011 6 0 "[ . 1 . ]"
1 21 ILE 0.069 0.012 13 0 "[ . 1 . ]"
1 22 ARG 0.246 0.042 3 0 "[ . 1 . ]"
1 23 LYS 0.512 0.042 13 0 "[ . 1 . ]"
1 24 LEU 2.534 0.085 3 0 "[ . 1 . ]"
1 25 PRO 0.652 0.075 11 0 "[ . 1 . ]"
1 26 ILE 2.062 0.129 3 0 "[ . 1 . ]"
1 27 ASP 2.071 0.129 3 0 "[ . 1 . ]"
1 28 VAL 4.900 0.450 7 0 "[ . 1 . ]"
1 29 THR 5.589 0.450 7 0 "[ . 1 . ]"
1 30 GLU 0.310 0.096 16 0 "[ . 1 . ]"
1 31 GLY 0.097 0.029 13 0 "[ . 1 . ]"
1 32 GLU 0.134 0.033 16 0 "[ . 1 . ]"
1 33 VAL 0.201 0.053 3 0 "[ . 1 . ]"
1 34 ILE 3.797 0.211 14 0 "[ . 1 . ]"
1 35 SER 0.037 0.013 15 0 "[ . 1 . ]"
1 36 LEU 0.256 0.033 16 0 "[ . 1 . ]"
1 37 GLY 0.103 0.019 2 0 "[ . 1 . ]"
1 38 LEU 0.472 0.049 14 0 "[ . 1 . ]"
1 39 PRO 0.246 0.049 14 0 "[ . 1 . ]"
1 40 PHE 1.079 0.075 11 0 "[ . 1 . ]"
1 41 GLY 0.116 0.027 16 0 "[ . 1 . ]"
1 42 LYS 1.046 0.095 5 0 "[ . 1 . ]"
1 43 VAL 0.489 0.077 6 0 "[ . 1 . ]"
1 44 THR 5.454 0.191 4 0 "[ . 1 . ]"
1 45 ASN 0.037 0.008 15 0 "[ . 1 . ]"
1 46 LEU 0.056 0.026 4 0 "[ . 1 . ]"
1 47 LEU 0.048 0.012 5 0 "[ . 1 . ]"
1 48 MET 1.958 0.133 4 0 "[ . 1 . ]"
1 49 LEU 0.005 0.005 4 0 "[ . 1 . ]"
1 50 LYS 0.197 0.030 1 0 "[ . 1 . ]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 53 ASN 1.657 0.097 4 0 "[ . 1 . ]"
1 54 GLN 0.348 0.070 3 0 "[ . 1 . ]"
1 55 ALA 0.426 0.046 13 0 "[ . 1 . ]"
1 56 PHE 0.733 0.067 6 0 "[ . 1 . ]"
1 57 ILE 0.855 0.072 6 0 "[ . 1 . ]"
1 58 GLU 0.484 0.072 6 0 "[ . 1 . ]"
1 59 MET 1.937 0.075 11 0 "[ . 1 . ]"
1 60 ASN 3.998 0.191 4 0 "[ . 1 . ]"
1 61 THR 1.160 0.154 6 0 "[ . 1 . ]"
1 62 GLU 0.604 0.154 6 0 "[ . 1 . ]"
1 63 GLU 0.181 0.037 14 0 "[ . 1 . ]"
1 64 ALA 0.655 0.093 16 0 "[ . 1 . ]"
1 65 ALA 0.356 0.029 5 0 "[ . 1 . ]"
1 66 ASN 0.186 0.029 15 0 "[ . 1 . ]"
1 67 THR 0.228 0.027 14 0 "[ . 1 . ]"
1 68 MET 0.498 0.030 14 0 "[ . 1 . ]"
1 69 VAL 0.149 0.014 6 0 "[ . 1 . ]"
1 70 ASN 0.008 0.008 10 0 "[ . 1 . ]"
1 71 TYR 0.078 0.010 8 0 "[ . 1 . ]"
1 72 TYR 0.589 0.033 4 0 "[ . 1 . ]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 74 SER 0.035 0.010 3 0 "[ . 1 . ]"
1 75 VAL 0.230 0.068 11 0 "[ . 1 . ]"
1 76 THR 7.573 0.200 12 0 "[ . 1 . ]"
1 77 PRO 5.419 0.200 12 0 "[ . 1 . ]"
1 78 VAL 2.117 0.111 15 0 "[ . 1 . ]"
1 79 LEU 1.560 0.260 7 0 "[ . 1 . ]"
1 80 ARG 0.166 0.044 3 0 "[ . 1 . ]"
1 81 GLY 0.716 0.111 15 0 "[ . 1 . ]"
1 82 GLN 0.661 0.074 2 0 "[ . 1 . ]"
1 83 PRO 0.203 0.087 13 0 "[ . 1 . ]"
1 84 ILE 2.370 0.115 3 0 "[ . 1 . ]"
1 85 TYR 0.080 0.010 14 0 "[ . 1 . ]"
1 86 ILE 0.437 0.024 3 0 "[ . 1 . ]"
1 87 GLN 0.159 0.026 9 0 "[ . 1 . ]"
1 88 PHE 0.132 0.028 14 0 "[ . 1 . ]"
1 89 SER 0.038 0.012 9 0 "[ . 1 . ]"
1 91 HIS 0.294 0.074 8 0 "[ . 1 . ]"
1 92 LYS 0.074 0.074 8 0 "[ . 1 . ]"
1 93 GLU 0.090 0.031 8 0 "[ . 1 . ]"
1 94 LEU 0.006 0.005 8 0 "[ . 1 . ]"
1 95 LYS 0.373 0.128 14 0 "[ . 1 . ]"
1 96 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 97 ASP 0.058 0.032 14 0 "[ . 1 . ]"
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 GLY QA 1 14 VAL HB 5.500 . 5.500 5.010 4.476 5.490 . 0 0 "[ . 1 . ]" 2
2 1 13 GLY QA 1 14 VAL H 2.500 . 2.500 2.264 2.160 2.486 . 0 0 "[ . 1 . ]" 2
3 1 14 VAL HA 1 14 VAL QG 2.810 . 2.810 2.079 1.893 2.289 0.007 14 0 "[ . 1 . ]" 2
4 1 14 VAL H 1 14 VAL QG 2.500 . 2.500 2.137 1.865 2.450 0.035 5 0 "[ . 1 . ]" 2
5 1 14 VAL HA 1 14 VAL HB 2.810 . 2.810 2.681 2.426 2.967 0.157 11 0 "[ . 1 . ]" 2
6 1 14 VAL HA 1 15 PRO QD 2.500 . 2.500 2.036 1.869 2.758 0.258 8 0 "[ . 1 . ]" 2
7 1 14 VAL QG 1 15 PRO QD 2.500 . 2.500 2.410 1.890 2.837 0.337 5 0 "[ . 1 . ]" 2
8 1 14 VAL H 1 66 ASN QD 4.940 . 4.940 4.297 2.628 4.934 . 0 0 "[ . 1 . ]" 2
9 1 14 VAL QG 1 66 ASN QB 5.500 . 5.500 4.061 2.755 5.403 . 0 0 "[ . 1 . ]" 2
10 1 15 PRO QB 1 16 SER H 4.940 . 4.940 2.868 1.892 3.845 0.008 14 0 "[ . 1 . ]" 2
11 1 16 SER HA 1 17 ARG H 2.500 . 2.500 2.319 2.140 2.510 0.010 5 0 "[ . 1 . ]" 2
12 1 16 SER HA 1 65 ALA MB 4.410 . 4.410 4.196 3.641 4.434 0.024 10 0 "[ . 1 . ]" 2
13 1 16 SER HA 1 16 SER QB 2.500 . 2.500 2.379 2.168 2.538 0.038 11 0 "[ . 1 . ]" 2
14 1 16 SER H 1 16 SER QB 3.150 . 3.150 2.974 2.588 3.154 0.004 2 0 "[ . 1 . ]" 2
15 1 16 SER H 1 17 ARG H 5.500 . 5.500 4.133 3.235 4.421 . 0 0 "[ . 1 . ]" 2
16 1 17 ARG HA 1 17 ARG QB 3.940 . 3.940 2.391 2.151 2.538 . 0 0 "[ . 1 . ]" 2
17 1 17 ARG H 1 17 ARG QB 5.500 . 5.500 2.642 2.104 3.226 . 0 0 "[ . 1 . ]" 2
18 1 18 VAL HA 1 59 MET H 4.940 . 4.940 3.963 3.402 4.501 . 0 0 "[ . 1 . ]" 2
19 1 18 VAL H 1 18 VAL HB 3.940 . 3.940 2.641 2.447 2.998 . 0 0 "[ . 1 . ]" 2
20 1 18 VAL HA 1 19 ILE H 2.810 . 2.810 2.185 2.142 2.233 . 0 0 "[ . 1 . ]" 2
21 1 18 VAL HB 1 19 ILE H 5.500 . 5.500 4.172 3.857 4.426 . 0 0 "[ . 1 . ]" 2
22 1 18 VAL HA 1 18 VAL QG 3.520 . 3.520 2.132 2.025 2.359 . 0 0 "[ . 1 . ]" 2
23 1 18 VAL H 1 18 VAL QG 4.940 . 4.940 2.252 1.956 2.508 . 0 0 "[ . 1 . ]" 2
24 1 18 VAL QG 1 19 ILE H 3.150 . 3.150 2.580 2.086 3.095 . 0 0 "[ . 1 . ]" 2
25 1 18 VAL QG 1 58 GLU HA 3.940 . 3.940 3.520 2.793 3.945 0.005 3 0 "[ . 1 . ]" 2
26 1 18 VAL QG 1 56 PHE HA 3.940 . 3.940 3.427 3.039 3.858 . 0 0 "[ . 1 . ]" 2
27 1 18 VAL QG 1 56 PHE QD 2.810 . 2.810 2.652 2.219 2.822 0.012 7 0 "[ . 1 . ]" 2
28 1 18 VAL QG 1 89 SER H 5.500 . 5.500 3.957 2.362 4.757 . 0 0 "[ . 1 . ]" 2
29 1 18 VAL QG 1 91 HIS H 4.410 . 4.410 3.876 3.129 4.357 . 0 0 "[ . 1 . ]" 2
30 1 18 VAL HB 1 91 HIS H 5.500 . 5.500 4.578 3.419 5.503 0.003 13 0 "[ . 1 . ]" 2
31 1 18 VAL QG 1 93 GLU HA 3.520 . 3.520 3.011 1.981 3.527 0.007 8 0 "[ . 1 . ]" 2
32 1 18 VAL QG 1 93 GLU H 5.500 . 5.500 4.152 2.980 4.863 . 0 0 "[ . 1 . ]" 2
33 1 18 VAL QG 1 94 LEU QD 3.150 . 3.150 2.547 1.972 3.029 . 0 0 "[ . 1 . ]" 2
34 1 19 ILE HA 1 19 ILE MD 3.520 . 3.520 2.211 1.920 3.326 . 0 0 "[ . 1 . ]" 2
35 1 19 ILE HA 1 19 ILE MG 3.150 . 3.150 2.423 2.224 3.061 . 0 0 "[ . 1 . ]" 2
36 1 19 ILE MD 1 19 ILE MG 3.150 . 3.150 2.078 1.883 3.215 0.065 9 0 "[ . 1 . ]" 2
37 1 19 ILE HA 1 19 ILE QG 3.940 . 3.940 2.829 1.913 3.038 . 0 0 "[ . 1 . ]" 2
38 1 19 ILE QG 1 19 ILE MG 2.500 . 2.500 2.292 2.030 2.471 . 0 0 "[ . 1 . ]" 2
39 1 19 ILE H 1 19 ILE QG 4.940 . 4.940 2.680 2.124 3.832 . 0 0 "[ . 1 . ]" 2
40 1 19 ILE HA 1 20 HIS H 2.810 . 2.810 2.162 2.133 2.221 . 0 0 "[ . 1 . ]" 2
41 1 19 ILE HA 1 89 SER H 4.940 . 4.940 3.664 2.956 4.485 . 0 0 "[ . 1 . ]" 2
42 1 19 ILE MG 1 20 HIS HA 5.500 . 5.500 4.043 3.630 4.248 . 0 0 "[ . 1 . ]" 2
43 1 19 ILE HB 1 20 HIS H 5.500 . 5.500 4.323 3.813 4.529 . 0 0 "[ . 1 . ]" 2
44 1 19 ILE MD 1 20 HIS H 5.500 . 5.500 3.908 3.607 4.608 . 0 0 "[ . 1 . ]" 2
45 1 19 ILE MD 1 59 MET QG 3.150 . 3.150 3.055 2.727 3.165 0.015 16 0 "[ . 1 . ]" 2
46 1 19 ILE MD 1 69 VAL MG2 2.500 . 2.500 2.069 1.897 2.504 0.004 9 0 "[ . 1 . ]" 2
47 1 19 ILE MD 1 65 ALA HA 2.810 . 2.810 2.224 1.897 2.455 0.003 15 0 "[ . 1 . ]" 2
48 1 19 ILE MD 1 65 ALA MB 2.500 . 2.500 2.142 1.893 2.502 0.007 15 0 "[ . 1 . ]" 2
49 1 19 ILE MD 1 69 VAL H 5.500 . 5.500 3.070 2.533 3.705 . 0 0 "[ . 1 . ]" 2
50 1 19 ILE MD 1 87 GLN HA 4.940 . 4.940 4.881 4.593 4.966 0.026 9 0 "[ . 1 . ]" 2
51 1 19 ILE MD 1 89 SER H 5.500 . 5.500 4.429 3.660 5.435 . 0 0 "[ . 1 . ]" 2
52 1 19 ILE QG 1 65 ALA MB 4.410 . 4.410 3.030 2.409 4.061 . 0 0 "[ . 1 . ]" 2
53 1 19 ILE QG 1 69 VAL MG2 3.940 . 3.940 3.482 1.897 3.894 0.003 9 0 "[ . 1 . ]" 2
54 1 19 ILE MG 1 20 HIS H 3.520 . 3.520 2.943 2.066 3.189 . 0 0 "[ . 1 . ]" 2
55 1 19 ILE MG 1 68 MET ME 3.150 . 3.150 3.122 2.776 3.178 0.028 12 0 "[ . 1 . ]" 2
56 1 19 ILE MG 1 69 VAL MG2 3.520 . 3.520 2.292 1.894 3.534 0.014 6 0 "[ . 1 . ]" 2
57 1 19 ILE MG 1 86 ILE MD 4.940 . 4.940 3.894 2.502 4.207 . 0 0 "[ . 1 . ]" 2
58 1 19 ILE MG 1 87 GLN H 4.940 . 4.940 3.361 2.593 3.816 . 0 0 "[ . 1 . ]" 2
59 1 19 ILE MG 1 89 SER H 5.500 . 5.500 5.126 4.556 5.512 0.012 9 0 "[ . 1 . ]" 2
60 1 19 ILE HB 1 56 PHE HA 5.500 . 5.500 4.610 4.127 5.512 0.012 6 0 "[ . 1 . ]" 2
61 1 19 ILE H 1 57 ILE H 4.410 . 4.410 2.925 2.485 3.592 . 0 0 "[ . 1 . ]" 2
62 1 19 ILE H 1 58 GLU HA 4.410 . 4.410 3.699 3.112 4.063 . 0 0 "[ . 1 . ]" 2
63 1 19 ILE HA 1 88 PHE HA 3.940 . 3.940 2.612 2.169 3.632 . 0 0 "[ . 1 . ]" 2
64 1 20 HIS HA 1 20 HIS HD2 3.520 . 3.520 2.520 2.173 3.105 . 0 0 "[ . 1 . ]" 2
65 1 20 HIS HA 1 21 ILE H 2.810 . 2.810 2.197 2.141 2.338 . 0 0 "[ . 1 . ]" 2
66 1 20 HIS HA 1 21 ILE MD 5.500 . 5.500 4.510 2.934 5.326 . 0 0 "[ . 1 . ]" 2
67 1 20 HIS HA 1 56 PHE HA 3.940 . 3.940 2.894 2.541 3.065 . 0 0 "[ . 1 . ]" 2
68 1 20 HIS HA 1 56 PHE QD 5.500 . 5.500 3.620 3.038 4.278 . 0 0 "[ . 1 . ]" 2
69 1 20 HIS HA 1 57 ILE H 4.410 . 4.410 4.308 4.043 4.421 0.011 6 0 "[ . 1 . ]" 2
70 1 20 HIS HB3 1 21 ILE H 5.500 . 5.500 4.115 3.540 4.496 . 0 0 "[ . 1 . ]" 2
71 1 20 HIS HA 1 20 HIS QB 3.520 . 3.520 2.384 2.254 2.483 . 0 0 "[ . 1 . ]" 2
72 1 20 HIS H 1 20 HIS QB 3.520 . 3.520 2.254 2.182 2.360 . 0 0 "[ . 1 . ]" 2
73 1 20 HIS HA 1 21 ILE QG 5.500 . 5.500 3.572 2.999 4.254 . 0 0 "[ . 1 . ]" 2
74 1 20 HIS HD2 1 21 ILE H 3.150 . 3.150 2.570 1.903 3.158 0.008 9 0 "[ . 1 . ]" 2
75 1 20 HIS HD2 1 55 ALA H 5.500 . 5.500 3.509 2.620 4.396 . 0 0 "[ . 1 . ]" 2
76 1 20 HIS H 1 87 GLN H 4.940 . 4.940 4.233 3.374 4.851 . 0 0 "[ . 1 . ]" 2
77 1 20 HIS H 1 89 SER H 4.940 . 4.940 3.313 2.787 3.812 . 0 0 "[ . 1 . ]" 2
78 1 20 HIS HB2 1 89 SER QB 3.940 . 3.940 2.399 1.890 3.573 0.010 5 0 "[ . 1 . ]" 2
79 1 21 ILE H 1 21 ILE MG 4.940 . 4.940 3.832 3.747 3.956 . 0 0 "[ . 1 . ]" 2
80 1 21 ILE MG 1 22 ARG H 3.150 . 3.150 2.759 2.311 3.161 0.011 7 0 "[ . 1 . ]" 2
81 1 21 ILE MD 1 33 VAL HA 5.500 . 5.500 4.471 3.620 5.506 0.006 13 0 "[ . 1 . ]" 2
82 1 21 ILE MD 1 68 MET ME 3.150 . 3.150 3.100 2.930 3.162 0.012 13 0 "[ . 1 . ]" 2
83 1 21 ILE MD 1 86 ILE MD 5.500 . 5.500 2.985 2.289 3.725 . 0 0 "[ . 1 . ]" 2
84 1 21 ILE MG 1 86 ILE MD 5.500 . 5.500 2.986 1.896 3.339 0.004 12 0 "[ . 1 . ]" 2
85 1 21 ILE H 1 55 ALA H 4.410 . 4.410 2.886 2.407 3.283 . 0 0 "[ . 1 . ]" 2
86 1 21 ILE H 1 56 PHE HA 4.940 . 4.940 3.614 3.071 4.404 . 0 0 "[ . 1 . ]" 2
87 1 22 ARG H 1 22 ARG QB 5.500 . 5.500 2.422 2.089 2.841 . 0 0 "[ . 1 . ]" 2
88 1 22 ARG HA 1 23 LYS H 3.150 . 3.150 2.498 2.298 2.572 . 0 0 "[ . 1 . ]" 2
89 1 22 ARG H 1 23 LYS H 5.500 . 5.500 4.519 4.466 4.585 . 0 0 "[ . 1 . ]" 2
90 1 22 ARG QB 1 23 LYS H 3.520 . 3.520 2.615 2.229 3.457 . 0 0 "[ . 1 . ]" 2
91 1 22 ARG HA 1 54 GLN HA 3.520 . 3.520 3.473 3.011 3.562 0.042 3 0 "[ . 1 . ]" 2
92 1 22 ARG H 1 85 TYR H 4.410 . 4.410 4.375 4.037 4.420 0.010 14 0 "[ . 1 . ]" 2
93 1 22 ARG QB 1 85 TYR QB 4.410 . 4.410 2.763 2.028 3.802 . 0 0 "[ . 1 . ]" 2
94 1 22 ARG H 1 85 TYR QB 5.500 . 5.500 3.252 2.892 3.829 . 0 0 "[ . 1 . ]" 2
95 1 23 LYS QG 1 85 TYR QD 4.940 . 4.940 3.689 2.219 4.748 . 0 0 "[ . 1 . ]" 2
96 1 23 LYS QG 1 85 TYR QE 5.500 . 5.500 3.966 2.765 5.420 . 0 0 "[ . 1 . ]" 2
97 1 22 ARG H 1 86 ILE HA 4.410 . 4.410 2.982 2.566 3.396 . 0 0 "[ . 1 . ]" 2
98 1 22 ARG H 1 87 GLN H 5.500 . 5.500 3.300 2.793 4.277 . 0 0 "[ . 1 . ]" 2
99 1 23 LYS HA 1 23 LYS QB 2.810 . 2.810 2.489 2.205 2.542 . 0 0 "[ . 1 . ]" 2
100 1 23 LYS HA 1 23 LYS QD 3.940 . 3.940 3.125 1.907 3.960 0.020 13 0 "[ . 1 . ]" 2
101 1 23 LYS HA 1 23 LYS QG 2.810 . 2.810 2.292 2.026 2.819 0.009 10 0 "[ . 1 . ]" 2
102 1 23 LYS QB 1 23 LYS QE 4.940 . 4.940 3.214 2.010 3.738 . 0 0 "[ . 1 . ]" 2
103 1 23 LYS H 1 23 LYS QB 4.940 . 4.940 2.911 2.736 3.370 . 0 0 "[ . 1 . ]" 2
104 1 23 LYS HA 1 24 LEU H 3.520 . 3.520 2.796 2.263 2.915 . 0 0 "[ . 1 . ]" 2
105 1 23 LYS H 1 24 LEU H 3.520 . 3.520 2.886 2.601 3.527 0.007 3 0 "[ . 1 . ]" 2
106 1 23 LYS HA 1 53 ASN QB 4.410 . 4.410 4.200 3.380 4.427 0.017 10 0 "[ . 1 . ]" 2
107 1 23 LYS QB 1 84 ILE HA 2.500 . 2.500 2.528 2.509 2.542 0.042 13 0 "[ . 1 . ]" 2
108 1 23 LYS QB 1 85 TYR QD 3.520 . 3.520 2.689 2.185 3.255 . 0 0 "[ . 1 . ]" 2
109 1 23 LYS H 1 23 LYS HA 2.500 . 2.500 2.294 2.278 2.310 . 0 0 "[ . 1 . ]" 2
110 1 23 LYS H 1 54 GLN HA 5.500 . 5.500 5.164 4.761 5.344 . 0 0 "[ . 1 . ]" 2
111 1 24 LEU HA 1 24 LEU QD 2.500 . 2.500 2.349 1.882 2.579 0.079 3 0 "[ . 1 . ]" 2
112 1 24 LEU HA 1 25 PRO QD 2.500 . 2.500 1.928 1.861 2.017 0.039 10 0 "[ . 1 . ]" 2
113 1 24 LEU HA 1 24 LEU QB 3.940 . 3.940 2.281 2.209 2.411 . 0 0 "[ . 1 . ]" 2
114 1 24 LEU QB 1 24 LEU QD 3.150 . 3.150 1.892 1.815 1.964 0.085 3 0 "[ . 1 . ]" 2
115 1 24 LEU QB 1 25 PRO QD 5.500 . 5.500 3.509 3.284 3.762 . 0 0 "[ . 1 . ]" 2
116 1 24 LEU QD 1 28 VAL QG 3.520 . 3.520 1.914 1.824 2.122 0.076 3 0 "[ . 1 . ]" 2
117 1 24 LEU QD 1 48 MET ME 2.810 . 2.810 2.827 2.813 2.859 0.049 6 0 "[ . 1 . ]" 2
118 1 24 LEU QB 1 53 ASN QB 4.410 . 4.410 4.250 3.898 4.448 0.038 4 0 "[ . 1 . ]" 2
119 1 24 LEU QD 1 54 GLN HA 3.520 . 3.520 3.498 3.281 3.590 0.070 3 0 "[ . 1 . ]" 2
120 1 24 LEU QD 1 54 GLN H 4.940 . 4.940 4.466 3.477 4.849 . 0 0 "[ . 1 . ]" 2
121 1 24 LEU QD 1 55 ALA MB 2.500 . 2.500 1.893 1.854 2.077 0.046 13 0 "[ . 1 . ]" 2
122 1 24 LEU QD 1 25 PRO QD 3.520 . 3.520 2.111 1.891 2.795 0.009 11 0 "[ . 1 . ]" 2
123 1 24 LEU H 1 24 LEU QD 4.410 . 4.410 3.821 3.379 4.068 . 0 0 "[ . 1 . ]" 2
124 1 24 LEU H 1 24 LEU QB 3.520 . 3.520 2.451 2.251 2.800 . 0 0 "[ . 1 . ]" 2
125 1 24 LEU H 1 53 ASN QB 3.150 . 3.150 3.155 2.786 3.211 0.061 3 0 "[ . 1 . ]" 2
126 1 24 LEU HA 1 84 ILE MD 4.410 . 4.410 3.958 3.553 4.209 . 0 0 "[ . 1 . ]" 2
127 1 24 LEU HA 1 84 ILE MG 3.150 . 3.150 1.924 1.866 2.437 0.034 4 0 "[ . 1 . ]" 2
128 1 24 LEU QD 1 84 ILE HB 2.810 . 2.810 2.451 1.896 2.851 0.041 9 0 "[ . 1 . ]" 2
129 1 25 PRO HA 1 26 ILE H 2.500 . 2.500 2.460 2.384 2.556 0.056 16 0 "[ . 1 . ]" 2
130 1 25 PRO HA 1 25 PRO QB 2.500 . 2.500 2.198 2.181 2.230 . 0 0 "[ . 1 . ]" 2
131 1 25 PRO HA 1 26 ILE MG 5.500 . 5.500 5.475 5.437 5.515 0.015 7 0 "[ . 1 . ]" 2
132 1 25 PRO QD 1 28 VAL QG 3.520 . 3.520 3.362 2.904 3.595 0.075 11 0 "[ . 1 . ]" 2
133 1 25 PRO QD 1 84 ILE MD 4.410 . 4.410 3.784 3.264 4.420 0.010 14 0 "[ . 1 . ]" 2
134 1 25 PRO QD 1 84 ILE MG 3.150 . 3.150 2.051 1.868 2.448 0.032 6 0 "[ . 1 . ]" 2
135 1 25 PRO QG 1 28 VAL QG 4.940 . 4.940 3.284 2.379 4.428 . 0 0 "[ . 1 . ]" 2
136 1 26 ILE HA 1 26 ILE QG 3.150 . 3.150 2.739 2.509 2.881 . 0 0 "[ . 1 . ]" 2
137 1 26 ILE QG 1 26 ILE MG 2.810 . 2.810 2.270 2.086 2.425 . 0 0 "[ . 1 . ]" 2
138 1 26 ILE HA 1 26 ILE MG 2.500 . 2.500 2.403 2.092 2.522 0.022 11 0 "[ . 1 . ]" 2
139 1 26 ILE HA 1 26 ILE MD 3.520 . 3.520 2.270 1.888 3.595 0.075 5 0 "[ . 1 . ]" 2
140 1 26 ILE HA 1 27 ASP H 2.810 . 2.810 2.164 2.078 2.310 . 0 0 "[ . 1 . ]" 2
141 1 26 ILE HA 1 28 VAL H 4.940 . 4.940 3.257 2.949 3.608 . 0 0 "[ . 1 . ]" 2
142 1 26 ILE MG 1 27 ASP QB 3.520 . 3.520 3.391 2.607 3.649 0.129 3 0 "[ . 1 . ]" 2
143 1 26 ILE HA 1 53 ASN QD 5.500 . 5.500 4.234 3.822 4.869 . 0 0 "[ . 1 . ]" 2
144 1 26 ILE MD 1 53 ASN QD 5.500 . 5.500 4.097 1.833 4.897 0.067 4 0 "[ . 1 . ]" 2
145 1 26 ILE MG 1 53 ASN QD 3.940 . 3.940 3.976 3.943 4.037 0.097 4 0 "[ . 1 . ]" 2
146 1 26 ILE MG 1 56 PHE QD 5.500 . 5.500 5.539 5.514 5.567 0.067 6 0 "[ . 1 . ]" 2
147 1 27 ASP HA 1 28 VAL H 3.940 . 3.940 3.304 3.012 3.417 . 0 0 "[ . 1 . ]" 2
148 1 27 ASP H 1 27 ASP HA 2.500 . 2.500 2.483 2.280 2.611 0.111 10 0 "[ . 1 . ]" 2
149 1 27 ASP HA 1 27 ASP QB 2.500 . 2.500 2.293 2.155 2.445 . 0 0 "[ . 1 . ]" 2
150 1 27 ASP H 1 27 ASP QB 3.150 . 3.150 3.157 3.059 3.240 0.090 13 0 "[ . 1 . ]" 2
151 1 27 ASP QB 1 28 VAL H 5.500 . 5.500 3.357 3.018 3.921 . 0 0 "[ . 1 . ]" 2
152 1 27 ASP H 1 28 VAL H 3.150 . 3.150 2.037 1.820 2.547 0.080 16 0 "[ . 1 . ]" 2
153 1 28 VAL HA 1 29 THR H 2.810 . 2.810 2.917 2.773 3.260 0.450 7 0 "[ . 1 . ]" 2
154 1 28 VAL HA 1 29 THR MG 4.940 . 4.940 3.333 3.056 3.565 . 0 0 "[ . 1 . ]" 2
155 1 28 VAL QG 1 29 THR H 2.810 . 2.810 1.990 1.745 2.866 0.155 6 0 "[ . 1 . ]" 2
156 1 28 VAL QG 1 32 GLU QB 3.150 . 3.150 2.828 2.344 3.172 0.022 9 0 "[ . 1 . ]" 2
157 1 28 VAL QG 1 32 GLU H 5.500 . 5.500 4.365 3.927 4.986 . 0 0 "[ . 1 . ]" 2
158 1 28 VAL QG 1 33 VAL MG2 2.500 . 2.500 2.435 2.187 2.553 0.053 3 0 "[ . 1 . ]" 2
159 1 28 VAL QG 1 33 VAL HA 5.500 . 5.500 4.617 4.287 4.905 . 0 0 "[ . 1 . ]" 2
160 1 28 VAL QG 1 33 VAL H 4.940 . 4.940 3.638 3.239 3.937 . 0 0 "[ . 1 . ]" 2
161 1 28 VAL HA 1 28 VAL QG 2.500 . 2.500 2.119 2.017 2.380 . 0 0 "[ . 1 . ]" 2
162 1 28 VAL H 1 28 VAL QG 2.500 . 2.500 2.209 1.831 2.613 0.113 6 0 "[ . 1 . ]" 2
163 1 28 VAL H 1 29 THR MG 5.500 . 5.500 5.278 4.377 5.503 0.003 5 0 "[ . 1 . ]" 2
164 1 28 VAL QG 1 48 MET ME 3.520 . 3.520 2.035 1.819 3.043 0.081 4 0 "[ . 1 . ]" 2
165 1 28 VAL H 1 29 THR H 5.500 . 5.500 4.180 2.515 4.531 . 0 0 "[ . 1 . ]" 2
166 1 29 THR H 1 29 THR MG 2.810 . 2.810 2.621 2.384 2.812 0.002 12 0 "[ . 1 . ]" 2
167 1 29 THR HB 1 30 GLU H 2.810 . 2.810 2.798 2.658 2.837 0.027 11 0 "[ . 1 . ]" 2
168 1 29 THR H 1 30 GLU H 5.500 . 5.500 4.464 4.126 4.546 . 0 0 "[ . 1 . ]" 2
169 1 29 THR MG 1 30 GLU H 3.940 . 3.940 3.894 3.742 4.036 0.096 16 0 "[ . 1 . ]" 2
170 1 29 THR HB 1 31 GLY H 4.410 . 4.410 3.136 2.732 3.586 . 0 0 "[ . 1 . ]" 2
171 1 29 THR MG 1 31 GLY H 5.500 . 5.500 4.667 4.349 5.032 . 0 0 "[ . 1 . ]" 2
172 1 29 THR H 1 32 GLU H 5.500 . 5.500 4.622 4.199 5.533 0.033 16 0 "[ . 1 . ]" 2
173 1 29 THR HA 1 48 MET ME 3.520 . 3.520 3.566 3.160 3.653 0.133 4 0 "[ . 1 . ]" 2
174 1 29 THR H 1 84 ILE MD 5.500 . 5.500 5.588 5.558 5.615 0.115 3 0 "[ . 1 . ]" 2
175 1 30 GLU HA 1 30 GLU QG 2.500 . 2.500 2.421 2.111 2.517 0.017 15 0 "[ . 1 . ]" 2
176 1 30 GLU H 1 30 GLU QB 4.410 . 4.410 2.456 2.054 2.631 . 0 0 "[ . 1 . ]" 2
177 1 30 GLU QB 1 31 GLY H 4.940 . 4.940 2.441 1.999 2.718 . 0 0 "[ . 1 . ]" 2
178 1 30 GLU HA 1 33 VAL HB 3.940 . 3.940 2.807 2.544 3.341 . 0 0 "[ . 1 . ]" 2
179 1 30 GLU HA 1 33 VAL MG1 5.500 . 5.500 4.264 3.980 4.748 . 0 0 "[ . 1 . ]" 2
180 1 30 GLU HA 1 33 VAL MG2 3.520 . 3.520 2.948 2.023 3.457 . 0 0 "[ . 1 . ]" 2
181 1 30 GLU HA 1 33 VAL H 4.940 . 4.940 3.294 2.984 3.777 . 0 0 "[ . 1 . ]" 2
182 1 30 GLU HA 1 31 GLY H 5.500 . 5.500 3.551 3.509 3.576 . 0 0 "[ . 1 . ]" 2
183 1 30 GLU H 1 31 GLY H 3.940 . 3.940 2.670 2.477 2.912 . 0 0 "[ . 1 . ]" 2
184 1 30 GLU HA 1 34 ILE MD 3.940 . 3.940 3.055 2.131 3.852 . 0 0 "[ . 1 . ]" 2
185 1 30 GLU HA 1 34 ILE H 5.500 . 5.500 3.345 2.823 3.750 . 0 0 "[ . 1 . ]" 2
186 1 30 GLU QG 1 46 LEU QD 2.500 . 2.500 2.088 1.913 2.487 . 0 0 "[ . 1 . ]" 2
187 1 31 GLY QA 1 32 GLU H 4.410 . 4.410 2.782 2.731 2.829 . 0 0 "[ . 1 . ]" 2
188 1 31 GLY H 1 33 VAL H 5.500 . 5.500 4.692 4.390 4.878 . 0 0 "[ . 1 . ]" 2
189 1 31 GLY QA 1 34 ILE MD 3.940 . 3.940 3.627 2.970 3.969 0.029 13 0 "[ . 1 . ]" 2
190 1 31 GLY QA 1 34 ILE H 5.500 . 5.500 4.033 3.713 4.388 . 0 0 "[ . 1 . ]" 2
191 1 31 GLY QA 1 34 ILE MG 4.410 . 4.410 3.934 3.307 4.415 0.005 8 0 "[ . 1 . ]" 2
192 1 31 GLY H 1 31 GLY QA 2.500 . 2.500 2.192 2.190 2.196 . 0 0 "[ . 1 . ]" 2
193 1 31 GLY H 1 32 GLU H 3.520 . 3.520 2.859 2.684 2.954 . 0 0 "[ . 1 . ]" 2
194 1 31 GLY QA 1 34 ILE HB 4.410 . 4.410 3.070 2.586 3.419 . 0 0 "[ . 1 . ]" 2
195 1 32 GLU HA 1 32 GLU QG 2.500 . 2.500 2.342 2.006 2.509 0.009 4 0 "[ . 1 . ]" 2
196 1 32 GLU HA 1 32 GLU QB 3.150 . 3.150 2.475 2.366 2.540 . 0 0 "[ . 1 . ]" 2
197 1 32 GLU HA 1 33 VAL H 4.410 . 4.410 3.569 3.547 3.579 . 0 0 "[ . 1 . ]" 2
198 1 32 GLU QB 1 33 VAL H 3.520 . 3.520 2.324 2.103 2.519 . 0 0 "[ . 1 . ]" 2
199 1 32 GLU H 1 32 GLU QB 3.940 . 3.940 2.212 2.054 2.438 . 0 0 "[ . 1 . ]" 2
200 1 32 GLU HA 1 35 SER H 3.940 . 3.940 3.680 3.403 3.953 0.013 15 0 "[ . 1 . ]" 2
201 1 32 GLU H 1 33 VAL MG2 5.500 . 5.500 4.072 3.769 4.401 . 0 0 "[ . 1 . ]" 2
202 1 32 GLU H 1 33 VAL H 3.150 . 3.150 2.628 2.454 2.821 . 0 0 "[ . 1 . ]" 2
203 1 32 GLU H 1 34 ILE H 5.500 . 5.500 4.067 3.855 4.308 . 0 0 "[ . 1 . ]" 2
204 1 33 VAL HA 1 33 VAL MG1 2.500 . 2.500 2.327 2.199 2.486 . 0 0 "[ . 1 . ]" 2
205 1 33 VAL HA 1 33 VAL MG2 2.500 . 2.500 2.395 2.234 2.491 . 0 0 "[ . 1 . ]" 2
206 1 33 VAL HA 1 34 ILE H 5.500 . 5.500 3.566 3.543 3.579 . 0 0 "[ . 1 . ]" 2
207 1 33 VAL H 1 33 VAL HB 2.810 . 2.810 2.638 2.480 2.780 . 0 0 "[ . 1 . ]" 2
208 1 33 VAL MG1 1 34 ILE H 4.410 . 4.410 3.323 3.069 3.545 . 0 0 "[ . 1 . ]" 2
209 1 33 VAL MG2 1 34 ILE H 3.940 . 3.940 3.665 3.463 3.858 . 0 0 "[ . 1 . ]" 2
210 1 33 VAL H 1 33 VAL MG2 2.500 . 2.500 2.069 1.901 2.294 . 0 0 "[ . 1 . ]" 2
211 1 33 VAL H 1 33 VAL MG1 3.940 . 3.940 3.760 3.737 3.770 . 0 0 "[ . 1 . ]" 2
212 1 33 VAL HB 1 34 ILE H 3.150 . 3.150 2.318 2.109 2.552 . 0 0 "[ . 1 . ]" 2
213 1 33 VAL H 1 34 ILE H 3.150 . 3.150 2.861 2.755 2.996 . 0 0 "[ . 1 . ]" 2
214 1 33 VAL H 1 35 SER H 4.940 . 4.940 4.110 3.942 4.355 . 0 0 "[ . 1 . ]" 2
215 1 33 VAL HA 1 36 LEU H 4.410 . 4.410 3.834 3.596 4.038 . 0 0 "[ . 1 . ]" 2
216 1 33 VAL MG1 1 57 ILE QG 5.500 . 5.500 3.968 2.759 4.780 . 0 0 "[ . 1 . ]" 2
217 1 34 ILE HA 1 34 ILE MD 3.520 . 3.520 3.538 3.385 3.731 0.211 14 0 "[ . 1 . ]" 2
218 1 34 ILE HA 1 34 ILE MG 2.500 . 2.500 2.428 2.197 2.545 0.045 1 0 "[ . 1 . ]" 2
219 1 34 ILE H 1 34 ILE HB 2.810 . 2.810 2.452 2.248 2.836 0.026 10 0 "[ . 1 . ]" 2
220 1 34 ILE H 1 34 ILE MD 3.520 . 3.520 2.908 2.358 3.575 0.055 14 0 "[ . 1 . ]" 2
221 1 34 ILE H 1 34 ILE MG 3.520 . 3.520 3.673 3.639 3.685 0.165 13 0 "[ . 1 . ]" 2
222 1 34 ILE HB 1 35 SER H 3.940 . 3.940 2.631 2.291 2.892 . 0 0 "[ . 1 . ]" 2
223 1 34 ILE HA 1 35 SER H 4.410 . 4.410 3.546 3.511 3.572 . 0 0 "[ . 1 . ]" 2
224 1 34 ILE HA 1 36 LEU H 5.500 . 5.500 4.103 3.786 4.404 . 0 0 "[ . 1 . ]" 2
225 1 34 ILE HA 1 37 GLY H 5.500 . 5.500 3.019 2.801 3.256 . 0 0 "[ . 1 . ]" 2
226 1 34 ILE HA 1 43 VAL MG1 4.410 . 4.410 3.945 3.273 4.410 0.000 3 0 "[ . 1 . ]" 2
227 1 34 ILE HA 1 43 VAL MG2 3.520 . 3.520 2.363 1.891 2.829 0.009 4 0 "[ . 1 . ]" 2
228 1 34 ILE HA 1 46 LEU QD 5.500 . 5.500 4.352 3.545 5.503 0.003 5 0 "[ . 1 . ]" 2
229 1 34 ILE H 1 46 LEU QD 5.500 . 5.500 3.690 2.857 4.812 . 0 0 "[ . 1 . ]" 2
230 1 34 ILE HA 1 57 ILE MD 3.940 . 3.940 3.917 3.424 3.962 0.022 3 0 "[ . 1 . ]" 2
231 1 34 ILE HA 1 57 ILE MG 5.500 . 5.500 4.319 3.730 5.414 . 0 0 "[ . 1 . ]" 2
232 1 34 ILE MG 1 35 SER H 3.940 . 3.940 3.293 2.906 3.789 . 0 0 "[ . 1 . ]" 2
233 1 34 ILE MG 1 38 LEU H 5.500 . 5.500 3.556 3.306 3.813 . 0 0 "[ . 1 . ]" 2
234 1 34 ILE H 1 35 SER H 3.520 . 3.520 2.699 2.538 2.922 . 0 0 "[ . 1 . ]" 2
235 1 35 SER H 1 36 LEU H 3.520 . 3.520 2.877 2.748 3.042 . 0 0 "[ . 1 . ]" 2
236 1 36 LEU HA 1 36 LEU QD 2.500 . 2.500 2.139 1.867 2.446 0.033 16 0 "[ . 1 . ]" 2
237 1 36 LEU H 1 36 LEU HB2 3.940 . 3.940 2.289 2.170 2.493 . 0 0 "[ . 1 . ]" 2
238 1 36 LEU QD 1 86 ILE MD 3.940 . 3.940 2.497 1.892 3.952 0.012 14 0 "[ . 1 . ]" 2
239 1 36 LEU HA 1 37 GLY H 5.500 . 5.500 3.496 3.363 3.550 . 0 0 "[ . 1 . ]" 2
240 1 36 LEU H 1 37 GLY H 3.520 . 3.520 2.518 2.377 2.659 . 0 0 "[ . 1 . ]" 2
241 1 36 LEU HB2 1 37 GLY H 5.500 . 5.500 2.872 2.654 3.417 . 0 0 "[ . 1 . ]" 2
242 1 36 LEU H 1 38 LEU H 5.500 . 5.500 3.888 3.657 4.106 . 0 0 "[ . 1 . ]" 2
243 1 36 LEU HA 1 68 MET ME 4.940 . 4.940 4.646 4.438 4.825 . 0 0 "[ . 1 . ]" 2
244 1 37 GLY H 1 68 MET ME 4.410 . 4.410 3.318 2.993 3.670 . 0 0 "[ . 1 . ]" 2
245 1 36 LEU HB3 1 68 MET ME 2.810 . 2.810 2.817 2.756 2.840 0.030 12 0 "[ . 1 . ]" 2
246 1 36 LEU QD 1 72 TYR QE 4.940 . 4.940 2.773 2.019 3.440 . 0 0 "[ . 1 . ]" 2
247 1 37 GLY HA3 1 43 VAL MG2 5.500 . 5.500 2.967 2.615 3.402 . 0 0 "[ . 1 . ]" 2
248 1 37 GLY HA2 1 43 VAL MG2 4.940 . 4.940 4.325 3.990 4.692 . 0 0 "[ . 1 . ]" 2
249 1 37 GLY H 1 43 VAL MG2 4.410 . 4.410 3.985 3.565 4.414 0.004 3 0 "[ . 1 . ]" 2
250 1 37 GLY QA 1 57 ILE MD 4.940 . 4.940 3.204 2.785 3.487 . 0 0 "[ . 1 . ]" 2
251 1 37 GLY QA 1 68 MET ME 2.810 . 2.810 2.686 2.424 2.829 0.019 5 0 "[ . 1 . ]" 2
252 1 37 GLY QA 1 38 LEU H 4.940 . 4.940 2.868 2.815 2.915 . 0 0 "[ . 1 . ]" 2
253 1 37 GLY QA 1 40 PHE QD 5.500 . 5.500 2.036 1.881 2.484 0.019 2 0 "[ . 1 . ]" 2
254 1 37 GLY H 1 38 LEU H 3.150 . 3.150 2.453 2.117 2.570 . 0 0 "[ . 1 . ]" 2
255 1 38 LEU HA 1 38 LEU QB 3.150 . 3.150 2.523 2.449 2.537 . 0 0 "[ . 1 . ]" 2
256 1 38 LEU HA 1 38 LEU QD 2.500 . 2.500 1.993 1.884 2.524 0.024 10 0 "[ . 1 . ]" 2
257 1 38 LEU QB 1 39 PRO QD 3.520 . 3.520 1.889 1.851 1.929 0.049 14 0 "[ . 1 . ]" 2
258 1 38 LEU QD 1 42 LYS HA 4.410 . 4.410 3.842 3.239 4.384 . 0 0 "[ . 1 . ]" 2
259 1 38 LEU QD 1 43 VAL H 4.410 . 4.410 4.041 3.349 4.419 0.009 7 0 "[ . 1 . ]" 2
260 1 38 LEU H 1 38 LEU QB 3.940 . 3.940 2.108 2.034 2.317 . 0 0 "[ . 1 . ]" 2
261 1 38 LEU H 1 38 LEU QD 3.150 . 3.150 2.714 2.235 3.191 0.041 10 0 "[ . 1 . ]" 2
262 1 38 LEU H 1 39 PRO QD 3.150 . 3.150 2.259 1.991 2.458 . 0 0 "[ . 1 . ]" 2
263 1 38 LEU HA 1 40 PHE H 5.500 . 5.500 4.278 3.870 4.783 . 0 0 "[ . 1 . ]" 2
264 1 38 LEU HA 1 41 GLY H 3.940 . 3.940 3.845 3.591 3.967 0.027 16 0 "[ . 1 . ]" 2
265 1 38 LEU H 1 43 VAL MG2 4.940 . 4.940 4.137 3.633 4.614 . 0 0 "[ . 1 . ]" 2
266 1 39 PRO HA 1 40 PHE H 5.500 . 5.500 3.498 3.440 3.567 . 0 0 "[ . 1 . ]" 2
267 1 39 PRO QB 1 40 PHE H 5.500 . 5.500 3.107 2.305 3.407 . 0 0 "[ . 1 . ]" 2
268 1 39 PRO QD 1 40 PHE H 3.940 . 3.940 2.700 2.352 2.906 . 0 0 "[ . 1 . ]" 2
269 1 40 PHE HA 1 40 PHE HB3 2.810 . 2.810 2.502 2.408 2.612 . 0 0 "[ . 1 . ]" 2
270 1 40 PHE HB2 1 41 GLY H 4.410 . 4.410 3.111 2.629 3.849 . 0 0 "[ . 1 . ]" 2
271 1 40 PHE H 1 59 MET ME 4.410 . 4.410 4.324 4.023 4.438 0.028 13 0 "[ . 1 . ]" 2
272 1 40 PHE HB3 1 59 MET ME 2.810 . 2.810 2.855 2.831 2.885 0.075 11 0 "[ . 1 . ]" 2
273 1 40 PHE HB3 1 64 ALA MB 4.940 . 4.940 3.237 2.782 3.816 . 0 0 "[ . 1 . ]" 2
274 1 40 PHE HB3 1 67 THR HB 5.500 . 5.500 3.152 2.798 3.600 . 0 0 "[ . 1 . ]" 2
275 1 40 PHE QB 1 67 THR MG 3.940 . 3.940 3.461 2.906 3.940 0.000 2 0 "[ . 1 . ]" 2
276 1 40 PHE H 1 40 PHE QD 4.410 . 4.410 2.751 2.105 3.112 . 0 0 "[ . 1 . ]" 2
277 1 40 PHE H 1 40 PHE QE 4.410 . 4.410 4.412 4.297 4.439 0.029 16 0 "[ . 1 . ]" 2
278 1 40 PHE QD 1 67 THR MG 3.520 . 3.520 2.077 1.889 2.919 0.011 14 0 "[ . 1 . ]" 2
279 1 40 PHE QE 1 67 THR MG 4.940 . 4.940 2.456 1.893 3.303 0.007 12 0 "[ . 1 . ]" 2
280 1 40 PHE QE 1 68 MET HA 5.500 . 5.500 2.673 2.186 3.028 . 0 0 "[ . 1 . ]" 2
281 1 40 PHE QE 1 71 TYR QB 4.410 . 4.410 2.819 1.895 3.752 0.005 2 0 "[ . 1 . ]" 2
282 1 40 PHE H 1 41 GLY H 2.810 . 2.810 2.597 2.434 2.732 . 0 0 "[ . 1 . ]" 2
283 1 40 PHE QD 1 41 GLY H 5.500 . 5.500 4.444 4.333 4.628 . 0 0 "[ . 1 . ]" 2
284 1 40 PHE QD 1 64 ALA HA 5.500 . 5.500 4.500 3.889 5.495 . 0 0 "[ . 1 . ]" 2
285 1 40 PHE QD 1 68 MET H 5.500 . 5.500 3.625 2.211 4.353 . 0 0 "[ . 1 . ]" 2
286 1 40 PHE HZ 1 71 TYR QB 4.940 . 4.940 3.155 1.933 4.031 . 0 0 "[ . 1 . ]" 2
287 1 40 PHE HZ 1 71 TYR QD 4.410 . 4.410 2.446 1.893 3.657 0.007 7 0 "[ . 1 . ]" 2
288 1 40 PHE HZ 1 72 TYR QE 5.500 . 5.500 2.675 2.175 3.350 . 0 0 "[ . 1 . ]" 2
289 1 41 GLY QA 1 59 MET ME 3.940 . 3.940 3.422 3.229 3.625 . 0 0 "[ . 1 . ]" 2
290 1 41 GLY QA 1 64 ALA MB 3.150 . 3.150 1.984 1.877 2.244 0.023 6 0 "[ . 1 . ]" 2
291 1 42 LYS HA 1 42 LYS QB 3.150 . 3.150 2.473 2.181 2.539 . 0 0 "[ . 1 . ]" 2
292 1 42 LYS HA 1 43 VAL HB 4.940 . 4.940 4.547 4.514 4.593 . 0 0 "[ . 1 . ]" 2
293 1 43 VAL HA 1 45 ASN H 5.500 . 5.500 3.388 3.105 3.505 . 0 0 "[ . 1 . ]" 2
294 1 42 LYS HA 1 43 VAL MG2 4.410 . 4.410 3.837 3.747 3.937 . 0 0 "[ . 1 . ]" 2
295 1 42 LYS HA 1 43 VAL H 2.500 . 2.500 2.229 2.185 2.309 . 0 0 "[ . 1 . ]" 2
296 1 42 LYS QB 1 43 VAL H 3.940 . 3.940 2.965 2.813 3.198 . 0 0 "[ . 1 . ]" 2
297 1 42 LYS QB 1 44 THR MG 3.520 . 3.520 3.507 3.243 3.615 0.095 5 0 "[ . 1 . ]" 2
298 1 42 LYS H 1 43 VAL H 5.500 . 5.500 4.304 4.245 4.369 . 0 0 "[ . 1 . ]" 2
299 1 42 LYS H 1 60 ASN H 4.410 . 4.410 3.639 3.366 4.053 . 0 0 "[ . 1 . ]" 2
300 1 42 LYS H 1 59 MET HB3 5.500 . 5.500 3.898 3.509 4.393 . 0 0 "[ . 1 . ]" 2
301 1 42 LYS H 1 60 ASN HB2 5.500 . 5.500 4.433 2.842 5.113 . 0 0 "[ . 1 . ]" 2
302 1 42 LYS HA 1 64 ALA MB 4.940 . 4.940 4.960 4.840 5.033 0.093 16 0 "[ . 1 . ]" 2
303 1 42 LYS QB 1 60 ASN HB2 3.940 . 3.940 3.169 2.155 3.936 . 0 0 "[ . 1 . ]" 2
304 1 42 LYS H 1 42 LYS QB 3.940 . 3.940 2.732 2.691 3.159 . 0 0 "[ . 1 . ]" 2
305 1 43 VAL HA 1 43 VAL MG1 2.810 . 2.810 2.445 2.404 2.501 . 0 0 "[ . 1 . ]" 2
306 1 43 VAL HA 1 43 VAL MG2 2.810 . 2.810 2.196 2.166 2.245 . 0 0 "[ . 1 . ]" 2
307 1 43 VAL MG1 1 44 THR HA 5.500 . 5.500 3.904 3.763 4.246 . 0 0 "[ . 1 . ]" 2
308 1 43 VAL MG1 1 44 THR H 3.520 . 3.520 2.973 2.619 3.522 0.002 6 0 "[ . 1 . ]" 2
309 1 43 VAL MG2 1 44 THR H 4.410 . 4.410 4.017 3.924 4.179 . 0 0 "[ . 1 . ]" 2
310 1 43 VAL HA 1 44 THR MG 4.940 . 4.940 3.687 3.199 5.017 0.077 6 0 "[ . 1 . ]" 2
311 1 43 VAL HA 1 44 THR H 2.500 . 2.500 2.168 2.138 2.275 . 0 0 "[ . 1 . ]" 2
312 1 43 VAL MG1 1 46 LEU HB2 4.940 . 4.940 2.574 2.269 3.093 . 0 0 "[ . 1 . ]" 2
313 1 43 VAL HA 1 59 MET HA 3.940 . 3.940 3.127 2.779 3.480 . 0 0 "[ . 1 . ]" 2
314 1 43 VAL HA 1 59 MET ME 4.940 . 4.940 3.086 2.690 3.245 . 0 0 "[ . 1 . ]" 2
315 1 43 VAL MG1 1 45 ASN H 2.810 . 2.810 1.993 1.892 2.195 0.008 12 0 "[ . 1 . ]" 2
316 1 43 VAL MG2 1 45 ASN H 5.500 . 5.500 4.260 4.182 4.339 . 0 0 "[ . 1 . ]" 2
317 1 43 VAL MG1 1 57 ILE HA 4.410 . 4.410 3.911 3.422 4.417 0.007 4 0 "[ . 1 . ]" 2
318 1 43 VAL MG1 1 58 GLU H 4.410 . 4.410 3.347 2.494 4.218 . 0 0 "[ . 1 . ]" 2
319 1 43 VAL MG1 1 59 MET HA 5.500 . 5.500 4.673 4.292 5.001 . 0 0 "[ . 1 . ]" 2
320 1 43 VAL MG2 1 59 MET HA 5.500 . 5.500 4.364 4.020 4.813 . 0 0 "[ . 1 . ]" 2
321 1 43 VAL MG2 1 59 MET ME 2.500 . 2.500 2.504 2.288 2.532 0.032 12 0 "[ . 1 . ]" 2
322 1 43 VAL H 1 43 VAL MG1 4.410 . 4.410 3.745 3.727 3.765 . 0 0 "[ . 1 . ]" 2
323 1 43 VAL H 1 43 VAL MG2 2.810 . 2.810 2.735 2.661 2.817 0.007 14 0 "[ . 1 . ]" 2
324 1 43 VAL H 1 43 VAL HB 2.810 . 2.810 2.415 2.380 2.467 . 0 0 "[ . 1 . ]" 2
325 1 44 THR HA 1 44 THR MG 2.500 . 2.500 2.483 1.962 2.677 0.177 12 0 "[ . 1 . ]" 2
326 1 44 THR MG 1 45 ASN H 5.500 . 5.500 3.908 3.594 4.471 . 0 0 "[ . 1 . ]" 2
327 1 44 THR HA 1 45 ASN H 4.410 . 4.410 3.276 3.033 3.381 . 0 0 "[ . 1 . ]" 2
328 1 44 THR HB 1 45 ASN H 5.500 . 5.500 4.350 3.746 4.589 . 0 0 "[ . 1 . ]" 2
329 1 44 THR H 1 45 ASN H 2.810 . 2.810 2.428 2.157 2.807 . 0 0 "[ . 1 . ]" 2
330 1 44 THR MG 1 59 MET HA 5.500 . 5.500 3.122 2.118 5.146 . 0 0 "[ . 1 . ]" 2
331 1 44 THR MG 1 60 ASN HA 2.500 . 2.500 2.007 1.814 2.524 0.086 14 0 "[ . 1 . ]" 2
332 1 44 THR HB 1 60 ASN HB2 5.500 . 5.500 5.610 5.554 5.691 0.191 4 0 "[ . 1 . ]" 2
333 1 44 THR MG 1 60 ASN HB3 2.810 . 2.810 2.759 2.057 2.968 0.158 6 0 "[ . 1 . ]" 2
334 1 44 THR H 1 59 MET HA 3.940 . 3.940 2.983 2.771 3.350 . 0 0 "[ . 1 . ]" 2
335 1 45 ASN H 1 45 ASN QB 3.520 . 3.520 3.019 2.944 3.046 . 0 0 "[ . 1 . ]" 2
336 1 45 ASN QB 1 45 ASN QD 2.810 . 2.810 2.184 2.065 2.442 . 0 0 "[ . 1 . ]" 2
337 1 45 ASN QB 1 46 LEU H 3.940 . 3.940 3.202 2.796 3.644 . 0 0 "[ . 1 . ]" 2
338 1 45 ASN HA 1 46 LEU H 2.810 . 2.810 2.267 2.142 2.421 . 0 0 "[ . 1 . ]" 2
339 1 45 ASN H 1 46 LEU H 5.500 . 5.500 4.174 3.784 4.324 . 0 0 "[ . 1 . ]" 2
340 1 45 ASN QB 1 58 GLU QB 2.810 . 2.810 2.194 1.892 2.816 0.008 15 0 "[ . 1 . ]" 2
341 1 45 ASN H 1 58 GLU H 3.940 . 3.940 3.127 2.554 3.924 . 0 0 "[ . 1 . ]" 2
342 1 45 ASN QB 1 58 GLU H 5.500 . 5.500 3.007 2.078 3.902 . 0 0 "[ . 1 . ]" 2
343 1 45 ASN QB 1 94 LEU QD 3.520 . 3.520 3.089 2.635 3.521 0.001 5 0 "[ . 1 . ]" 2
344 1 46 LEU HA 1 46 LEU QD 2.500 . 2.500 1.959 1.874 2.303 0.026 4 0 "[ . 1 . ]" 2
345 1 46 LEU HB2 1 47 LEU H 5.500 . 5.500 4.321 4.100 4.465 . 0 0 "[ . 1 . ]" 2
346 1 46 LEU H 1 47 LEU H 5.500 . 5.500 3.984 3.643 4.260 . 0 0 "[ . 1 . ]" 2
347 1 46 LEU QD 1 47 LEU H 2.810 . 2.810 2.282 1.900 2.722 . 0 0 "[ . 1 . ]" 2
348 1 46 LEU QD 1 48 MET QG 4.410 . 4.410 2.571 2.110 3.341 . 0 0 "[ . 1 . ]" 2
349 1 46 LEU QD 1 57 ILE HA 4.940 . 4.940 3.015 2.190 3.396 . 0 0 "[ . 1 . ]" 2
350 1 46 LEU HB2 1 57 ILE MG 3.940 . 3.940 3.034 1.900 3.947 0.007 16 0 "[ . 1 . ]" 2
351 1 46 LEU HA 1 57 ILE HA 2.810 . 2.810 2.353 1.947 2.744 . 0 0 "[ . 1 . ]" 2
352 1 47 LEU HA 1 48 MET H 2.500 . 2.500 2.167 2.139 2.273 . 0 0 "[ . 1 . ]" 2
353 1 47 LEU QD 1 56 PHE QB 4.410 . 4.410 3.286 2.112 3.887 . 0 0 "[ . 1 . ]" 2
354 1 47 LEU HB3 1 56 PHE QB 3.940 . 3.940 2.655 2.064 3.187 . 0 0 "[ . 1 . ]" 2
355 1 47 LEU QD 1 56 PHE QD 3.150 . 3.150 2.897 2.523 3.155 0.005 4 0 "[ . 1 . ]" 2
356 1 47 LEU HB3 1 56 PHE QD 5.500 . 5.500 3.410 3.029 3.780 . 0 0 "[ . 1 . ]" 2
357 1 47 LEU HB3 1 56 PHE QE 5.500 . 5.500 5.261 4.892 5.512 0.012 5 0 "[ . 1 . ]" 2
358 1 47 LEU H 1 57 ILE HA 3.940 . 3.940 3.320 2.587 3.761 . 0 0 "[ . 1 . ]" 2
359 1 47 LEU QD 1 48 MET H 3.150 . 3.150 2.551 1.896 3.153 0.004 3 0 "[ . 1 . ]" 2
360 1 47 LEU HB3 1 47 LEU QD 2.810 . 2.810 2.068 1.916 2.305 . 0 0 "[ . 1 . ]" 2
361 1 47 LEU H 1 47 LEU QD 4.410 . 4.410 3.753 3.639 3.981 . 0 0 "[ . 1 . ]" 2
362 1 47 LEU HB3 1 94 LEU QD 3.940 . 3.940 2.840 1.952 3.664 . 0 0 "[ . 1 . ]" 2
363 1 47 LEU H 1 94 LEU QD 4.410 . 4.410 3.859 3.147 4.337 . 0 0 "[ . 1 . ]" 2
364 1 48 MET ME 1 50 LYS QE 3.520 . 3.520 3.525 3.398 3.550 0.030 1 0 "[ . 1 . ]" 2
365 1 48 MET HA 1 55 ALA HA 3.150 . 3.150 2.384 1.912 3.162 0.012 4 0 "[ . 1 . ]" 2
366 1 48 MET HA 1 55 ALA MB 2.810 . 2.810 2.714 2.137 2.829 0.019 7 0 "[ . 1 . ]" 2
367 1 48 MET QG 1 55 ALA MB 3.940 . 3.940 3.219 1.898 3.941 0.002 5 0 "[ . 1 . ]" 2
368 1 48 MET H 1 48 MET QB 3.520 . 3.520 2.594 2.215 2.891 . 0 0 "[ . 1 . ]" 2
369 1 48 MET ME 1 48 MET QG 2.810 . 2.810 2.202 1.983 2.330 . 0 0 "[ . 1 . ]" 2
370 1 48 MET H 1 49 LEU H 4.940 . 4.940 4.279 3.884 4.540 . 0 0 "[ . 1 . ]" 2
371 1 49 LEU HA 1 50 LYS HA 5.500 . 5.500 4.460 4.410 4.514 . 0 0 "[ . 1 . ]" 2
372 1 49 LEU QB 1 54 GLN H 5.500 . 5.500 3.364 2.664 3.799 . 0 0 "[ . 1 . ]" 2
373 1 49 LEU H 1 55 ALA HA 3.520 . 3.520 2.515 1.895 2.868 0.005 4 0 "[ . 1 . ]" 2
374 1 49 LEU QD 1 56 PHE QE 5.500 . 5.500 2.559 1.952 2.839 . 0 0 "[ . 1 . ]" 2
375 1 49 LEU H 1 56 PHE H 5.500 . 5.500 4.276 3.496 4.786 . 0 0 "[ . 1 . ]" 2
376 1 49 LEU QD 1 54 GLN H 5.500 . 5.500 4.171 2.276 4.801 . 0 0 "[ . 1 . ]" 2
377 1 49 LEU QD 1 54 GLN HB2 3.940 . 3.940 3.374 1.936 3.937 . 0 0 "[ . 1 . ]" 2
378 1 50 LYS HA 1 54 GLN H 5.500 . 5.500 4.361 4.016 4.658 . 0 0 "[ . 1 . ]" 2
379 1 52 LYS H 1 53 ASN H 3.940 . 3.940 2.656 2.234 3.274 . 0 0 "[ . 1 . ]" 2
380 1 53 ASN HA 1 53 ASN QB 2.500 . 2.500 2.446 2.221 2.528 0.028 5 0 "[ . 1 . ]" 2
381 1 53 ASN H 1 53 ASN QB 5.500 . 5.500 3.167 3.031 3.318 . 0 0 "[ . 1 . ]" 2
382 1 53 ASN HA 1 53 ASN QD 3.940 . 3.940 1.904 1.857 2.294 0.043 15 0 "[ . 1 . ]" 2
383 1 53 ASN QB 1 53 ASN QD 3.150 . 3.150 2.606 2.546 2.748 . 0 0 "[ . 1 . ]" 2
384 1 53 ASN HA 1 54 GLN H 3.150 . 3.150 2.464 2.286 2.752 . 0 0 "[ . 1 . ]" 2
385 1 53 ASN H 1 54 GLN H 3.940 . 3.940 3.014 1.932 3.442 . 0 0 "[ . 1 . ]" 2
386 1 53 ASN QB 1 54 GLN H 4.940 . 4.940 3.895 3.816 4.037 . 0 0 "[ . 1 . ]" 2
387 1 54 GLN H 1 55 ALA H 4.940 . 4.940 4.236 4.042 4.375 . 0 0 "[ . 1 . ]" 2
388 1 54 GLN HA 1 55 ALA MB 4.410 . 4.410 3.928 3.789 3.982 . 0 0 "[ . 1 . ]" 2
389 1 54 GLN HA 1 55 ALA H 2.810 . 2.810 2.181 2.132 2.378 . 0 0 "[ . 1 . ]" 2
390 1 54 GLN HA 1 54 GLN QG . . 4.410 2.581 2.134 3.088 . 0 0 "[ . 1 . ]" 2
391 1 54 GLN HB3 1 55 ALA H 3.940 . 3.940 3.181 2.537 3.397 . 0 0 "[ . 1 . ]" 2
392 1 55 ALA HA 1 56 PHE H 2.810 . 2.810 2.419 2.347 2.511 . 0 0 "[ . 1 . ]" 2
393 1 55 ALA HA 1 56 PHE QB 5.500 . 5.500 4.460 4.232 4.559 . 0 0 "[ . 1 . ]" 2
394 1 55 ALA HA 1 56 PHE QD 5.500 . 5.500 2.434 2.320 2.619 . 0 0 "[ . 1 . ]" 2
395 1 55 ALA MB 1 56 PHE H 2.500 . 2.500 2.402 2.181 2.514 0.014 3 0 "[ . 1 . ]" 2
396 1 55 ALA H 1 55 ALA MB 3.150 . 3.150 2.351 2.287 2.736 . 0 0 "[ . 1 . ]" 2
397 1 56 PHE HA 1 56 PHE QD 5.500 . 5.500 3.278 3.140 3.361 . 0 0 "[ . 1 . ]" 2
398 1 56 PHE HA 1 57 ILE H 2.500 . 2.500 2.145 2.133 2.209 . 0 0 "[ . 1 . ]" 2
399 1 56 PHE HA 1 56 PHE QB 3.150 . 3.150 2.289 2.240 2.390 . 0 0 "[ . 1 . ]" 2
400 1 56 PHE H 1 56 PHE QB 3.520 . 3.520 2.887 2.769 3.010 . 0 0 "[ . 1 . ]" 2
401 1 56 PHE QB 1 57 ILE H 3.520 . 3.520 3.351 2.853 3.394 . 0 0 "[ . 1 . ]" 2
402 1 56 PHE QB 1 94 LEU QD 4.940 . 4.940 2.638 1.966 3.677 . 0 0 "[ . 1 . ]" 2
403 1 56 PHE H 1 56 PHE QD 4.940 . 4.940 2.281 2.110 2.872 . 0 0 "[ . 1 . ]" 2
404 1 56 PHE QD 1 57 ILE H 5.500 . 5.500 4.771 4.089 4.892 . 0 0 "[ . 1 . ]" 2
405 1 56 PHE QD 1 94 LEU QD 4.940 . 4.940 3.743 2.745 4.893 . 0 0 "[ . 1 . ]" 2
406 1 57 ILE HA 1 57 ILE MG 3.150 . 3.150 2.478 2.277 3.191 0.041 16 0 "[ . 1 . ]" 2
407 1 57 ILE HA 1 58 GLU H 2.500 . 2.500 2.237 2.136 2.325 . 0 0 "[ . 1 . ]" 2
408 1 57 ILE HB 1 58 GLU H 4.410 . 4.410 2.962 2.658 4.008 . 0 0 "[ . 1 . ]" 2
409 1 57 ILE H 1 58 GLU H 5.500 . 5.500 4.450 4.151 4.525 . 0 0 "[ . 1 . ]" 2
410 1 57 ILE MG 1 58 GLU H 3.940 . 3.940 3.958 3.764 4.012 0.072 6 0 "[ . 1 . ]" 2
411 1 57 ILE MG 1 59 MET QG 5.500 . 5.500 5.265 4.045 5.535 0.035 6 0 "[ . 1 . ]" 2
412 1 58 GLU HA 1 65 ALA MB 5.500 . 5.500 4.852 4.075 5.329 . 0 0 "[ . 1 . ]" 2
413 1 58 GLU H 1 58 GLU QB 5.500 . 5.500 2.372 2.164 2.509 . 0 0 "[ . 1 . ]" 2
414 1 58 GLU HA 1 59 MET H 3.150 . 3.150 2.157 2.133 2.206 . 0 0 "[ . 1 . ]" 2
415 1 58 GLU QG 1 94 LEU H 5.500 . 5.500 4.160 2.538 5.465 . 0 0 "[ . 1 . ]" 2
416 1 58 GLU H 1 94 LEU QD 5.500 . 5.500 4.395 3.471 5.424 . 0 0 "[ . 1 . ]" 2
417 1 59 MET H 1 59 MET QG 4.410 . 4.410 2.383 2.037 2.689 . 0 0 "[ . 1 . ]" 2
418 1 59 MET HA 1 59 MET ME 3.150 . 3.150 2.623 2.354 3.017 . 0 0 "[ . 1 . ]" 2
419 1 59 MET ME 1 60 ASN H 3.520 . 3.520 3.529 3.262 3.572 0.052 11 0 "[ . 1 . ]" 2
420 1 59 MET HA 1 60 ASN HA 5.500 . 5.500 4.330 4.302 4.365 . 0 0 "[ . 1 . ]" 2
421 1 59 MET HA 1 60 ASN H 2.810 . 2.810 2.214 2.103 2.345 . 0 0 "[ . 1 . ]" 2
422 1 59 MET HA 1 61 THR H 4.940 . 4.940 3.988 3.698 4.586 . 0 0 "[ . 1 . ]" 2
423 1 59 MET HA 1 64 ALA MB 5.500 . 5.500 3.550 3.171 4.205 . 0 0 "[ . 1 . ]" 2
424 1 59 MET ME 1 64 ALA MB 2.500 . 2.500 1.963 1.875 2.506 0.025 3 0 "[ . 1 . ]" 2
425 1 59 MET HB2 1 65 ALA HA 3.520 . 3.520 3.484 3.241 3.537 0.017 7 0 "[ . 1 . ]" 2
426 1 59 MET QG 1 65 ALA HA 4.410 . 4.410 2.010 1.872 2.458 0.028 16 0 "[ . 1 . ]" 2
427 1 59 MET QG 1 65 ALA MB 4.410 . 4.410 2.246 1.909 2.729 . 0 0 "[ . 1 . ]" 2
428 1 60 ASN HA 1 61 THR H 4.410 . 4.410 3.483 3.351 3.567 . 0 0 "[ . 1 . ]" 2
429 1 60 ASN H 1 60 ASN HB2 3.940 . 3.940 2.786 2.345 2.952 . 0 0 "[ . 1 . ]" 2
430 1 60 ASN HB2 1 61 THR H 4.940 . 4.940 2.899 2.303 3.444 . 0 0 "[ . 1 . ]" 2
431 1 60 ASN QD 1 61 THR MG 4.410 . 4.410 4.116 3.492 4.516 0.106 6 0 "[ . 1 . ]" 2
432 1 60 ASN H 1 61 THR H 3.520 . 3.520 2.651 2.338 3.123 . 0 0 "[ . 1 . ]" 2
433 1 60 ASN H 1 64 ALA MB 5.500 . 5.500 3.587 3.337 3.835 . 0 0 "[ . 1 . ]" 2
434 1 61 THR MG 1 62 GLU HA 4.940 . 4.940 4.850 4.594 5.094 0.154 6 0 "[ . 1 . ]" 2
435 1 61 THR MG 1 62 GLU H 3.940 . 3.940 3.755 2.753 3.948 0.008 11 0 "[ . 1 . ]" 2
436 1 61 THR MG 1 63 GLU H 5.500 . 5.500 3.504 2.838 4.414 . 0 0 "[ . 1 . ]" 2
437 1 61 THR H 1 62 GLU H 5.500 . 5.500 4.411 4.260 4.512 . 0 0 "[ . 1 . ]" 2
438 1 61 THR H 1 63 GLU H 5.500 . 5.500 5.320 4.618 5.510 0.010 5 0 "[ . 1 . ]" 2
439 1 61 THR H 1 64 ALA H 4.940 . 4.940 3.931 3.619 4.221 . 0 0 "[ . 1 . ]" 2
440 1 61 THR H 1 65 ALA H 5.500 . 5.500 4.436 4.188 4.688 . 0 0 "[ . 1 . ]" 2
441 1 62 GLU HA 1 62 GLU QG 2.500 . 2.500 2.326 2.107 2.471 . 0 0 "[ . 1 . ]" 2
442 1 62 GLU HA 1 62 GLU QB 3.150 . 3.150 2.409 2.320 2.491 . 0 0 "[ . 1 . ]" 2
443 1 62 GLU H 1 62 GLU QB 3.940 . 3.940 2.387 2.169 2.646 . 0 0 "[ . 1 . ]" 2
444 1 62 GLU HA 1 63 GLU H 5.500 . 5.500 3.534 3.431 3.565 . 0 0 "[ . 1 . ]" 2
445 1 62 GLU HA 1 65 ALA MB 2.810 . 2.810 2.729 2.630 2.839 0.029 5 0 "[ . 1 . ]" 2
446 1 62 GLU H 1 63 GLU H 3.940 . 3.940 2.709 2.374 3.041 . 0 0 "[ . 1 . ]" 2
447 1 63 GLU HA 1 63 GLU QB 2.500 . 2.500 2.473 2.323 2.537 0.037 14 0 "[ . 1 . ]" 2
448 1 63 GLU HA 1 64 ALA H 5.500 . 5.500 3.475 3.428 3.529 . 0 0 "[ . 1 . ]" 2
449 1 63 GLU HA 1 66 ASN QB 3.150 . 3.150 3.022 2.720 3.173 0.023 10 0 "[ . 1 . ]" 2
450 1 63 GLU H 1 63 GLU QB 2.810 . 2.810 2.189 2.040 2.552 . 0 0 "[ . 1 . ]" 2
451 1 63 GLU HA 1 66 ASN QD 4.410 . 4.410 3.696 1.886 4.397 0.014 10 0 "[ . 1 . ]" 2
452 1 63 GLU HA 1 63 GLU QG 2.810 . 2.810 2.273 2.105 2.671 . 0 0 "[ . 1 . ]" 2
453 1 63 GLU H 1 64 ALA H 3.940 . 3.940 2.707 2.450 2.918 . 0 0 "[ . 1 . ]" 2
454 1 63 GLU H 1 63 GLU QG 3.940 . 3.940 3.287 2.043 3.948 0.008 5 0 "[ . 1 . ]" 2
455 1 63 GLU QB 1 64 ALA H 3.520 . 3.520 2.871 2.609 3.031 . 0 0 "[ . 1 . ]" 2
456 1 63 GLU QB 1 67 THR H 5.500 . 5.500 5.028 4.684 5.483 . 0 0 "[ . 1 . ]" 2
457 1 64 ALA H 1 64 ALA MB 2.500 . 2.500 2.143 2.067 2.219 . 0 0 "[ . 1 . ]" 2
458 1 64 ALA MB 1 65 ALA H 2.500 . 2.500 2.488 2.400 2.522 0.022 16 0 "[ . 1 . ]" 2
459 1 64 ALA HA 1 65 ALA H 4.940 . 4.940 3.557 3.537 3.569 . 0 0 "[ . 1 . ]" 2
460 1 64 ALA HA 1 67 THR H 5.500 . 5.500 4.164 3.722 4.478 . 0 0 "[ . 1 . ]" 2
461 1 64 ALA HA 1 67 THR HB 3.940 . 3.940 3.155 2.601 3.391 . 0 0 "[ . 1 . ]" 2
462 1 64 ALA HA 1 67 THR MG 5.500 . 5.500 4.336 3.826 4.567 . 0 0 "[ . 1 . ]" 2
463 1 64 ALA HA 1 68 MET H 5.500 . 5.500 4.247 3.927 4.592 . 0 0 "[ . 1 . ]" 2
464 1 64 ALA H 1 65 ALA H 3.150 . 3.150 2.591 2.436 2.715 . 0 0 "[ . 1 . ]" 2
465 1 65 ALA HA 1 66 ASN H 5.500 . 5.500 3.564 3.496 3.573 . 0 0 "[ . 1 . ]" 2
466 1 65 ALA HA 1 68 MET H 5.500 . 5.500 3.752 3.454 4.007 . 0 0 "[ . 1 . ]" 2
467 1 65 ALA HA 1 69 VAL MG2 5.500 . 5.500 4.747 4.376 5.026 . 0 0 "[ . 1 . ]" 2
468 1 65 ALA MB 1 69 VAL MG2 5.500 . 5.500 4.451 3.959 4.689 . 0 0 "[ . 1 . ]" 2
469 1 65 ALA H 1 66 ASN H 3.150 . 3.150 2.883 2.607 3.018 . 0 0 "[ . 1 . ]" 2
470 1 65 ALA H 1 67 THR H 5.500 . 5.500 4.594 4.090 4.885 . 0 0 "[ . 1 . ]" 2
471 1 66 ASN HA 1 69 VAL HB 3.940 . 3.940 3.875 3.535 3.952 0.012 10 0 "[ . 1 . ]" 2
472 1 66 ASN HA 1 66 ASN QB 3.940 . 3.940 2.446 2.156 2.538 . 0 0 "[ . 1 . ]" 2
473 1 66 ASN H 1 66 ASN QB 2.500 . 2.500 2.161 2.074 2.447 . 0 0 "[ . 1 . ]" 2
474 1 66 ASN QB 1 66 ASN QD 3.150 . 3.150 2.152 2.062 2.333 . 0 0 "[ . 1 . ]" 2
475 1 66 ASN QB 1 67 THR H 3.520 . 3.520 2.389 2.152 3.067 . 0 0 "[ . 1 . ]" 2
476 1 66 ASN HA 1 67 THR H 5.500 . 5.500 3.566 3.545 3.574 . 0 0 "[ . 1 . ]" 2
477 1 66 ASN HA 1 69 VAL MG2 5.500 . 5.500 4.328 3.680 4.719 . 0 0 "[ . 1 . ]" 2
478 1 66 ASN HA 1 69 VAL H 4.940 . 4.940 3.891 3.733 4.268 . 0 0 "[ . 1 . ]" 2
479 1 66 ASN H 1 66 ASN QD 3.520 . 3.520 3.009 1.959 3.549 0.029 15 0 "[ . 1 . ]" 2
480 1 66 ASN H 1 67 THR H 3.520 . 3.520 3.051 2.662 3.237 . 0 0 "[ . 1 . ]" 2
481 1 66 ASN HA 1 88 PHE QE 2.500 . 2.500 2.304 1.908 2.513 0.013 14 0 "[ . 1 . ]" 2
482 1 67 THR HA 1 67 THR MG 2.500 . 2.500 2.453 2.362 2.510 0.010 7 0 "[ . 1 . ]" 2
483 1 67 THR H 1 67 THR HB 3.150 . 3.150 2.594 2.417 2.825 . 0 0 "[ . 1 . ]" 2
484 1 67 THR MG 1 68 MET H 3.940 . 3.940 3.336 2.917 3.882 . 0 0 "[ . 1 . ]" 2
485 1 67 THR HA 1 68 MET H 4.940 . 4.940 3.535 3.445 3.569 . 0 0 "[ . 1 . ]" 2
486 1 67 THR HB 1 68 MET H 3.520 . 3.520 2.613 2.327 3.093 . 0 0 "[ . 1 . ]" 2
487 1 67 THR H 1 68 MET H 3.520 . 3.520 2.920 2.657 3.089 . 0 0 "[ . 1 . ]" 2
488 1 67 THR HA 1 70 ASN QB 2.810 . 2.810 2.318 1.892 2.809 0.008 10 0 "[ . 1 . ]" 2
489 1 67 THR HA 1 70 ASN H 4.940 . 4.940 3.824 3.200 4.229 . 0 0 "[ . 1 . ]" 2
490 1 67 THR MG 1 71 TYR H 5.500 . 5.500 3.491 2.979 3.919 . 0 0 "[ . 1 . ]" 2
491 1 67 THR MG 1 71 TYR QD 5.500 . 5.500 3.680 3.140 4.353 . 0 0 "[ . 1 . ]" 2
492 1 67 THR MG 1 72 TYR QE 5.500 . 5.500 5.492 5.228 5.527 0.027 14 0 "[ . 1 . ]" 2
493 1 67 THR H 1 67 THR MG 3.940 . 3.940 3.769 3.739 3.782 . 0 0 "[ . 1 . ]" 2
494 1 68 MET HA 1 69 VAL H 5.500 . 5.500 3.569 3.565 3.571 . 0 0 "[ . 1 . ]" 2
495 1 68 MET HA 1 71 TYR H 5.500 . 5.500 4.499 4.068 4.890 . 0 0 "[ . 1 . ]" 2
496 1 68 MET ME 1 69 VAL MG2 5.500 . 5.500 4.865 4.650 5.153 . 0 0 "[ . 1 . ]" 2
497 1 68 MET HA 1 71 TYR QB 4.410 . 4.410 3.797 3.208 4.325 . 0 0 "[ . 1 . ]" 2
498 1 68 MET ME 1 72 TYR QD 4.410 . 4.410 3.418 2.652 4.085 . 0 0 "[ . 1 . ]" 2
499 1 68 MET ME 1 72 TYR QE 2.810 . 2.810 2.243 1.897 2.818 0.008 16 0 "[ . 1 . ]" 2
500 1 68 MET ME 1 86 ILE MD 2.500 . 2.500 1.990 1.892 2.313 0.008 14 0 "[ . 1 . ]" 2
501 1 68 MET ME 1 86 ILE MG 3.150 . 3.150 2.285 1.894 2.889 0.006 3 0 "[ . 1 . ]" 2
502 1 68 MET HA 1 68 MET QG 3.150 . 3.150 2.469 2.000 3.180 0.030 14 0 "[ . 1 . ]" 2
503 1 68 MET H 1 69 VAL MG2 5.500 . 5.500 4.735 4.239 5.055 . 0 0 "[ . 1 . ]" 2
504 1 68 MET H 1 69 VAL H 3.940 . 3.940 3.108 2.869 3.256 . 0 0 "[ . 1 . ]" 2
505 1 68 MET QB 1 72 TYR QD 4.940 . 4.940 4.498 3.654 4.956 0.016 14 0 "[ . 1 . ]" 2
506 1 69 VAL HA 1 69 VAL MG1 2.810 . 2.810 2.322 2.156 2.424 . 0 0 "[ . 1 . ]" 2
507 1 69 VAL HA 1 69 VAL MG2 2.500 . 2.500 2.344 2.216 2.491 . 0 0 "[ . 1 . ]" 2
508 1 69 VAL HA 1 70 ASN H 4.940 . 4.940 3.534 3.399 3.571 . 0 0 "[ . 1 . ]" 2
509 1 69 VAL HA 1 72 TYR H 4.940 . 4.940 3.503 3.100 3.807 . 0 0 "[ . 1 . ]" 2
510 1 69 VAL H 1 69 VAL HB 2.810 . 2.810 2.508 2.393 2.704 . 0 0 "[ . 1 . ]" 2
511 1 69 VAL HB 1 70 ASN H 3.520 . 3.520 2.528 2.205 3.208 . 0 0 "[ . 1 . ]" 2
512 1 69 VAL HA 1 86 ILE MD 5.500 . 5.500 5.322 4.886 5.511 0.011 10 0 "[ . 1 . ]" 2
513 1 69 VAL MG1 1 70 ASN HA 4.410 . 4.410 3.500 3.187 3.903 . 0 0 "[ . 1 . ]" 2
514 1 69 VAL H 1 69 VAL MG1 4.410 . 4.410 3.761 3.739 3.779 . 0 0 "[ . 1 . ]" 2
515 1 69 VAL H 1 69 VAL MG2 2.810 . 2.810 2.257 1.897 2.574 0.003 7 0 "[ . 1 . ]" 2
516 1 69 VAL MG2 1 70 ASN H 4.410 . 4.410 3.786 3.504 4.017 . 0 0 "[ . 1 . ]" 2
517 1 69 VAL MG1 1 70 ASN H 4.410 . 4.410 3.364 2.912 3.962 . 0 0 "[ . 1 . ]" 2
518 1 69 VAL MG1 1 73 THR MG 4.940 . 4.940 4.059 3.172 4.691 . 0 0 "[ . 1 . ]" 2
519 1 69 VAL MG2 1 86 ILE MG 2.810 . 2.810 2.277 1.894 2.705 0.006 14 0 "[ . 1 . ]" 2
520 1 69 VAL HA 1 86 ILE MG 3.520 . 3.520 2.767 1.896 3.142 0.004 12 0 "[ . 1 . ]" 2
521 1 69 VAL MG2 1 87 GLN HA 4.410 . 4.410 2.100 1.894 2.699 0.006 2 0 "[ . 1 . ]" 2
522 1 69 VAL MG2 1 88 PHE QD 5.500 . 5.500 2.765 2.338 3.209 . 0 0 "[ . 1 . ]" 2
523 1 69 VAL MG1 1 88 PHE QD 5.500 . 5.500 2.840 2.332 3.126 . 0 0 "[ . 1 . ]" 2
524 1 69 VAL MG2 1 88 PHE QE 5.500 . 5.500 2.936 2.511 3.205 . 0 0 "[ . 1 . ]" 2
525 1 69 VAL MG1 1 88 PHE QE 5.500 . 5.500 2.490 2.191 3.040 . 0 0 "[ . 1 . ]" 2
526 1 69 VAL MG1 1 88 PHE H 4.940 . 4.940 2.500 2.011 2.927 . 0 0 "[ . 1 . ]" 2
527 1 69 VAL MG2 1 88 PHE H 4.940 . 4.940 2.435 2.127 2.885 . 0 0 "[ . 1 . ]" 2
528 1 69 VAL HA 1 72 TYR QB 5.500 . 5.500 2.645 2.247 3.031 . 0 0 "[ . 1 . ]" 2
529 1 69 VAL HA 1 72 TYR QD 5.500 . 5.500 3.542 2.951 4.086 . 0 0 "[ . 1 . ]" 2
530 1 69 VAL H 1 70 ASN H 3.520 . 3.520 2.597 2.419 2.737 . 0 0 "[ . 1 . ]" 2
531 1 70 ASN HA 1 70 ASN QB 2.810 . 2.810 2.450 2.302 2.539 . 0 0 "[ . 1 . ]" 2
532 1 70 ASN H 1 70 ASN QB 3.150 . 3.150 2.180 2.051 2.340 . 0 0 "[ . 1 . ]" 2
533 1 70 ASN QB 1 71 TYR H 3.940 . 3.940 2.347 2.032 2.980 . 0 0 "[ . 1 . ]" 2
534 1 70 ASN QB 1 70 ASN QD 2.810 . 2.810 2.238 2.065 2.547 . 0 0 "[ . 1 . ]" 2
535 1 70 ASN H 1 70 ASN QD 4.410 . 4.410 4.154 3.693 4.405 . 0 0 "[ . 1 . ]" 2
536 1 70 ASN QD 1 71 TYR H 5.500 . 5.500 4.454 2.391 5.335 . 0 0 "[ . 1 . ]" 2
537 1 70 ASN HA 1 73 THR H 5.500 . 5.500 3.831 3.488 4.072 . 0 0 "[ . 1 . ]" 2
538 1 71 TYR HA 1 71 TYR QD . . 2.810 2.404 2.035 2.820 0.010 8 0 "[ . 1 . ]" 2
539 1 71 TYR H 1 71 TYR QB 2.500 . 2.500 2.254 2.221 2.311 . 0 0 "[ . 1 . ]" 2
540 1 71 TYR HA 1 71 TYR QB 3.520 . 3.520 2.333 2.279 2.379 . 0 0 "[ . 1 . ]" 2
541 1 71 TYR H 1 71 TYR QD 4.940 . 4.940 4.194 4.175 4.235 . 0 0 "[ . 1 . ]" 2
542 1 71 TYR QD 1 72 TYR QD 4.410 . 4.410 3.397 2.314 4.236 . 0 0 "[ . 1 . ]" 2
543 1 71 TYR QD 1 72 TYR QE 3.940 . 3.940 3.225 2.342 3.931 . 0 0 "[ . 1 . ]" 2
544 1 71 TYR QB 1 72 TYR H 3.520 . 3.520 2.545 2.049 2.989 . 0 0 "[ . 1 . ]" 2
545 1 71 TYR QD 1 75 VAL QG 4.940 . 4.940 3.536 2.913 4.043 . 0 0 "[ . 1 . ]" 2
546 1 71 TYR QE 1 72 TYR QD 4.940 . 4.940 4.020 3.381 4.584 . 0 0 "[ . 1 . ]" 2
547 1 71 TYR QE 1 72 TYR QE 3.520 . 3.520 3.026 2.648 3.495 . 0 0 "[ . 1 . ]" 2
548 1 71 TYR QE 1 75 VAL HB 4.940 . 4.940 4.240 3.378 4.946 0.006 8 0 "[ . 1 . ]" 2
549 1 71 TYR QE 1 75 VAL QG 2.810 . 2.810 2.716 2.373 2.817 0.007 10 0 "[ . 1 . ]" 2
550 1 71 TYR H 1 72 TYR H 3.150 . 3.150 2.705 2.413 2.998 . 0 0 "[ . 1 . ]" 2
551 1 72 TYR HA 1 72 TYR QD 3.150 . 3.150 1.984 1.867 2.292 0.033 4 0 "[ . 1 . ]" 2
552 1 72 TYR HA 1 72 TYR QE 4.940 . 4.940 4.267 4.184 4.439 . 0 0 "[ . 1 . ]" 2
553 1 72 TYR HA 1 73 THR H 4.940 . 4.940 3.188 3.041 3.402 . 0 0 "[ . 1 . ]" 2
554 1 72 TYR HA 1 75 VAL QG 4.940 . 4.940 3.078 2.084 3.904 . 0 0 "[ . 1 . ]" 2
555 1 72 TYR HA 1 75 VAL H 3.520 . 3.520 3.192 2.808 3.498 . 0 0 "[ . 1 . ]" 2
556 1 72 TYR HA 1 75 VAL HB 4.940 . 4.940 3.937 2.784 4.952 0.012 5 0 "[ . 1 . ]" 2
557 1 72 TYR H 1 72 TYR QD 4.410 . 4.410 3.278 2.983 3.437 . 0 0 "[ . 1 . ]" 2
558 1 72 TYR H 1 72 TYR QB 3.520 . 3.520 2.364 2.287 2.456 . 0 0 "[ . 1 . ]" 2
559 1 72 TYR HA 1 72 TYR QB 2.810 . 2.810 2.402 2.361 2.432 . 0 0 "[ . 1 . ]" 2
560 1 72 TYR QB 1 73 THR H 5.500 . 5.500 3.490 3.098 3.685 . 0 0 "[ . 1 . ]" 2
561 1 72 TYR QB 1 77 PRO QD 5.500 . 5.500 3.014 2.571 3.538 . 0 0 "[ . 1 . ]" 2
562 1 72 TYR QB 1 86 ILE HB 3.940 . 3.940 3.013 1.878 3.300 0.022 12 0 "[ . 1 . ]" 2
563 1 72 TYR QB 1 86 ILE MD 3.940 . 3.940 3.857 3.311 3.963 0.023 12 0 "[ . 1 . ]" 2
564 1 72 TYR QB 1 86 ILE MG 4.410 . 4.410 3.383 2.804 3.765 . 0 0 "[ . 1 . ]" 2
565 1 72 TYR QD 1 75 VAL QG 4.940 . 4.940 2.797 2.129 3.451 . 0 0 "[ . 1 . ]" 2
566 1 72 TYR QD 1 77 PRO HA 5.500 . 5.500 5.102 4.189 5.511 0.011 2 0 "[ . 1 . ]" 2
567 1 72 TYR QD 1 77 PRO QD 4.410 . 4.410 3.523 2.887 4.156 . 0 0 "[ . 1 . ]" 2
568 1 72 TYR QD 1 86 ILE MD 4.940 . 4.940 2.745 1.895 3.627 0.005 13 0 "[ . 1 . ]" 2
569 1 72 TYR QD 1 86 ILE MG 4.940 . 4.940 2.523 1.897 2.912 0.003 4 0 "[ . 1 . ]" 2
570 1 72 TYR QE 1 75 VAL QG 3.520 . 3.520 3.436 3.124 3.530 0.010 13 0 "[ . 1 . ]" 2
571 1 72 TYR QE 1 77 PRO HA 5.500 . 5.500 4.476 3.297 5.147 . 0 0 "[ . 1 . ]" 2
572 1 72 TYR QE 1 86 ILE MD 5.500 . 5.500 2.471 1.894 4.238 0.006 4 0 "[ . 1 . ]" 2
573 1 73 THR HA 1 73 THR MG 2.500 . 2.500 2.366 2.186 2.468 . 0 0 "[ . 1 . ]" 2
574 1 73 THR H 1 73 THR HB 3.150 . 3.150 2.562 2.385 2.913 . 0 0 "[ . 1 . ]" 2
575 1 73 THR HB 1 74 SER H 5.500 . 5.500 2.899 2.530 3.276 . 0 0 "[ . 1 . ]" 2
576 1 72 TYR H 1 73 THR H 3.520 . 3.520 2.674 2.622 2.756 . 0 0 "[ . 1 . ]" 2
577 1 73 THR MG 1 74 SER H 5.500 . 5.500 3.656 3.378 4.051 . 0 0 "[ . 1 . ]" 2
578 1 73 THR H 1 73 THR MG 3.940 . 3.940 3.761 3.710 3.786 . 0 0 "[ . 1 . ]" 2
579 1 73 THR H 1 74 SER H 3.520 . 3.520 2.665 2.352 2.953 . 0 0 "[ . 1 . ]" 2
580 1 74 SER HA 1 74 SER QB 2.500 . 2.500 2.364 2.159 2.499 . 0 0 "[ . 1 . ]" 2
581 1 74 SER HA 1 75 VAL H 3.940 . 3.940 3.545 3.504 3.569 . 0 0 "[ . 1 . ]" 2
582 1 74 SER H 1 74 SER QB 3.940 . 3.940 2.577 2.381 3.143 . 0 0 "[ . 1 . ]" 2
583 1 74 SER QB 1 75 VAL QG 3.150 . 3.150 2.987 2.429 3.160 0.010 3 0 "[ . 1 . ]" 2
584 1 74 SER HA 1 75 VAL QG 5.500 . 5.500 4.658 4.268 4.812 . 0 0 "[ . 1 . ]" 2
585 1 74 SER QB 1 75 VAL H 3.520 . 3.520 2.492 2.055 2.877 . 0 0 "[ . 1 . ]" 2
586 1 74 SER H 1 75 VAL H 3.520 . 3.520 2.092 1.907 2.393 . 0 0 "[ . 1 . ]" 2
587 1 75 VAL HB 1 76 THR H 4.940 . 4.940 4.109 2.714 4.440 . 0 0 "[ . 1 . ]" 2
588 1 75 VAL HA 1 76 THR H 2.500 . 2.500 2.178 2.149 2.340 . 0 0 "[ . 1 . ]" 2
589 1 75 VAL HA 1 75 VAL QG 2.500 . 2.500 2.209 2.067 2.458 . 0 0 "[ . 1 . ]" 2
590 1 75 VAL H 1 75 VAL QG 2.500 . 2.500 2.201 1.898 2.506 0.006 4 0 "[ . 1 . ]" 2
591 1 75 VAL QG 1 76 THR H 2.810 . 2.810 2.480 2.044 2.878 0.068 11 0 "[ . 1 . ]" 2
592 1 75 VAL H 1 76 THR H 4.940 . 4.940 4.482 4.354 4.594 . 0 0 "[ . 1 . ]" 2
593 1 76 THR HA 1 77 PRO QD 2.500 . 2.500 1.796 1.777 1.833 0.123 16 0 "[ . 1 . ]" 2
594 1 76 THR HA 1 77 PRO QG 3.520 . 3.520 3.633 3.562 3.720 0.200 12 0 "[ . 1 . ]" 2
595 1 76 THR H 1 76 THR HB 2.500 . 2.500 2.319 2.258 2.503 0.003 11 0 "[ . 1 . ]" 2
596 1 76 THR H 1 76 THR MG 3.520 . 3.520 3.641 3.589 3.684 0.164 5 0 "[ . 1 . ]" 2
597 1 76 THR MG 1 77 PRO HA 3.520 . 3.520 3.640 3.588 3.708 0.188 12 0 "[ . 1 . ]" 2
598 1 76 THR HB 1 78 VAL QG 4.410 . 4.410 4.007 3.204 4.398 . 0 0 "[ . 1 . ]" 2
599 1 76 THR MG 1 78 VAL QG 2.500 . 2.500 2.422 1.913 2.528 0.028 1 0 "[ . 1 . ]" 2
600 1 76 THR MG 1 83 PRO HA 3.940 . 3.940 3.068 2.780 3.361 . 0 0 "[ . 1 . ]" 2
601 1 76 THR MG 1 83 PRO QB 3.150 . 3.150 2.406 2.042 2.625 . 0 0 "[ . 1 . ]" 2
602 1 77 PRO QG 1 85 TYR HA 5.500 . 5.500 3.688 2.564 4.851 . 0 0 "[ . 1 . ]" 2
603 1 78 VAL HB 1 79 LEU H 3.520 . 3.520 2.902 2.207 3.620 0.100 13 0 "[ . 1 . ]" 2
604 1 78 VAL QG 1 79 LEU QB 3.940 . 3.940 3.937 3.613 4.006 0.066 8 0 "[ . 1 . ]" 2
605 1 78 VAL QG 1 79 LEU H 3.150 . 3.150 2.189 1.882 2.716 0.018 6 0 "[ . 1 . ]" 2
606 1 78 VAL QG 1 80 ARG H 5.500 . 5.500 3.553 3.085 4.149 . 0 0 "[ . 1 . ]" 2
607 1 78 VAL QG 1 81 GLY QA 2.500 . 2.500 2.531 2.466 2.611 0.111 15 0 "[ . 1 . ]" 2
608 1 78 VAL HA 1 82 GLN H 4.410 . 4.410 4.262 3.695 4.440 0.030 13 0 "[ . 1 . ]" 2
609 1 78 VAL HB 1 82 GLN H 5.500 . 5.500 3.635 2.266 5.281 . 0 0 "[ . 1 . ]" 2
610 1 78 VAL QG 1 82 GLN HA 3.940 . 3.940 3.753 3.096 4.014 0.074 2 0 "[ . 1 . ]" 2
611 1 78 VAL QG 1 83 PRO HG3 4.940 . 4.940 2.690 1.890 3.832 0.010 9 0 "[ . 1 . ]" 2
612 1 78 VAL QG 1 82 GLN H 3.150 . 3.150 2.341 1.892 2.965 0.008 15 0 "[ . 1 . ]" 2
613 1 78 VAL QG 1 83 PRO HA 2.500 . 2.500 2.051 1.881 2.587 0.087 13 0 "[ . 1 . ]" 2
614 1 79 LEU HA 1 79 LEU QB 2.810 . 2.810 2.324 2.121 2.536 . 0 0 "[ . 1 . ]" 2
615 1 79 LEU HA 1 79 LEU HG 3.940 . 3.940 3.463 2.202 4.200 0.260 7 0 "[ . 1 . ]" 2
616 1 79 LEU H 1 79 LEU QD 4.940 . 4.940 3.030 1.864 4.036 0.036 7 0 "[ . 1 . ]" 2
617 1 79 LEU QB 1 79 LEU QD 2.810 . 2.810 1.940 1.852 2.041 0.048 9 0 "[ . 1 . ]" 2
618 1 79 LEU HA 1 80 ARG HA 4.410 . 4.410 4.376 4.347 4.403 . 0 0 "[ . 1 . ]" 2
619 1 79 LEU HA 1 80 ARG H 3.520 . 3.520 2.164 2.141 2.198 . 0 0 "[ . 1 . ]" 2
620 1 79 LEU QD 1 80 ARG H 4.410 . 4.410 3.228 2.251 4.370 . 0 0 "[ . 1 . ]" 2
621 1 79 LEU H 1 84 ILE MG 4.410 . 4.410 3.756 3.041 4.417 0.007 2 0 "[ . 1 . ]" 2
622 1 79 LEU H 1 79 LEU QB 3.940 . 3.940 2.661 2.188 3.281 . 0 0 "[ . 1 . ]" 2
623 1 79 LEU H 1 80 ARG H 5.500 . 5.500 4.094 3.815 4.270 . 0 0 "[ . 1 . ]" 2
624 1 79 LEU H 1 82 GLN H 3.520 . 3.520 2.260 1.948 2.661 . 0 0 "[ . 1 . ]" 2
625 1 79 LEU HA 1 82 GLN H 5.500 . 5.500 4.148 3.872 4.414 . 0 0 "[ . 1 . ]" 2
626 1 80 ARG H 1 81 GLY H 4.410 . 4.410 2.996 2.637 3.682 . 0 0 "[ . 1 . ]" 2
627 1 80 ARG HA 1 81 GLY H 3.520 . 3.520 3.157 2.875 3.564 0.044 3 0 "[ . 1 . ]" 2
628 1 80 ARG HA 1 80 ARG QD 5.500 . 5.500 3.522 1.894 4.245 0.006 4 0 "[ . 1 . ]" 2
629 1 80 ARG HA 1 81 GLY QA 5.500 . 5.500 4.104 4.001 4.235 . 0 0 "[ . 1 . ]" 2
630 1 80 ARG H 1 82 GLN H 5.500 . 5.500 4.225 3.986 4.654 . 0 0 "[ . 1 . ]" 2
631 1 81 GLY QA 1 82 GLN H 3.150 . 3.150 2.840 2.603 2.919 . 0 0 "[ . 1 . ]" 2
632 1 81 GLY H 1 81 GLY QA 2.500 . 2.500 2.345 2.220 2.491 . 0 0 "[ . 1 . ]" 2
633 1 81 GLY H 1 82 GLN H 3.520 . 3.520 2.117 1.886 2.565 0.014 12 0 "[ . 1 . ]" 2
634 1 82 GLN HA 1 82 GLN QG 3.150 . 3.150 2.465 2.063 3.101 . 0 0 "[ . 1 . ]" 2
635 1 82 GLN QG 1 83 PRO QD 4.410 . 4.410 3.381 2.508 4.394 . 0 0 "[ . 1 . ]" 2
636 1 82 GLN HA 1 82 GLN QB 2.500 . 2.500 2.461 2.256 2.536 0.036 7 0 "[ . 1 . ]" 2
637 1 82 GLN H 1 82 GLN QB 2.810 . 2.810 2.560 2.233 2.784 . 0 0 "[ . 1 . ]" 2
638 1 82 GLN HA 1 83 PRO QD 2.500 . 2.500 1.938 1.855 1.994 0.045 12 0 "[ . 1 . ]" 2
639 1 82 GLN QB 1 83 PRO QD 4.410 . 4.410 3.681 3.472 3.775 . 0 0 "[ . 1 . ]" 2
640 1 82 GLN H 1 83 PRO QD 4.940 . 4.940 3.663 3.357 3.942 . 0 0 "[ . 1 . ]" 2
641 1 83 PRO HA 1 83 PRO QB 2.500 . 2.500 2.200 2.174 2.224 . 0 0 "[ . 1 . ]" 2
642 1 83 PRO HA 1 84 ILE H 2.500 . 2.500 2.178 2.134 2.263 . 0 0 "[ . 1 . ]" 2
643 1 83 PRO QB 1 85 TYR QD 5.500 . 5.500 3.827 3.392 4.864 . 0 0 "[ . 1 . ]" 2
644 1 84 ILE HB 1 84 ILE MD 2.810 . 2.810 2.578 2.506 2.610 . 0 0 "[ . 1 . ]" 2
645 1 84 ILE HA 1 85 TYR H 2.500 . 2.500 2.143 2.132 2.154 . 0 0 "[ . 1 . ]" 2
646 1 84 ILE MD 1 86 ILE MD 3.520 . 3.520 3.468 3.273 3.538 0.018 12 0 "[ . 1 . ]" 2
647 1 84 ILE MG 1 86 ILE MD 5.500 . 5.500 5.187 4.962 5.408 . 0 0 "[ . 1 . ]" 2
648 1 85 TYR HA 1 85 TYR QB 2.810 . 2.810 2.402 2.238 2.485 . 0 0 "[ . 1 . ]" 2
649 1 85 TYR H 1 85 TYR QB 3.150 . 3.150 2.359 2.185 2.734 . 0 0 "[ . 1 . ]" 2
650 1 85 TYR HA 1 86 ILE H 2.500 . 2.500 2.262 2.193 2.414 . 0 0 "[ . 1 . ]" 2
651 1 85 TYR QD 1 86 ILE H 4.940 . 4.940 3.959 2.960 4.401 . 0 0 "[ . 1 . ]" 2
652 1 85 TYR H 1 85 TYR QD 4.940 . 4.940 2.388 1.890 3.248 0.010 8 0 "[ . 1 . ]" 2
653 1 85 TYR H 1 86 ILE H 5.500 . 5.500 4.614 4.597 4.625 . 0 0 "[ . 1 . ]" 2
654 1 86 ILE HA 1 87 GLN H 2.500 . 2.500 2.185 2.155 2.231 . 0 0 "[ . 1 . ]" 2
655 1 86 ILE HA 1 86 ILE QG 4.410 . 4.410 2.291 2.209 2.863 . 0 0 "[ . 1 . ]" 2
656 1 86 ILE H 1 86 ILE QG 4.410 . 4.410 3.304 2.896 3.426 . 0 0 "[ . 1 . ]" 2
657 1 86 ILE HB 1 86 ILE MD 3.520 . 3.520 2.198 2.049 3.220 . 0 0 "[ . 1 . ]" 2
658 1 86 ILE MD 1 86 ILE MG 2.500 . 2.500 2.471 2.131 2.524 0.024 3 0 "[ . 1 . ]" 2
659 1 86 ILE H 1 86 ILE MD 5.500 . 5.500 3.703 3.553 3.908 . 0 0 "[ . 1 . ]" 2
660 1 86 ILE HA 1 86 ILE MG 3.520 . 3.520 2.558 2.402 2.610 . 0 0 "[ . 1 . ]" 2
661 1 87 GLN HA 1 87 GLN QB 2.810 . 2.810 2.427 2.175 2.538 . 0 0 "[ . 1 . ]" 2
662 1 87 GLN HA 1 88 PHE H 2.500 . 2.500 2.487 2.430 2.521 0.021 16 0 "[ . 1 . ]" 2
663 1 87 GLN H 1 88 PHE H 5.500 . 5.500 4.447 4.389 4.496 . 0 0 "[ . 1 . ]" 2
664 1 88 PHE H 1 88 PHE HB2 2.810 . 2.810 2.498 2.292 2.838 0.028 14 0 "[ . 1 . ]" 2
665 1 88 PHE H 1 88 PHE QD 3.520 . 3.520 2.794 1.989 3.308 . 0 0 "[ . 1 . ]" 2
666 1 88 PHE HB3 1 89 SER H 4.410 . 4.410 2.436 1.894 3.534 0.006 4 0 "[ . 1 . ]" 2
667 1 88 PHE QD 1 89 SER H 4.940 . 4.940 3.729 3.167 4.748 . 0 0 "[ . 1 . ]" 2
668 1 89 SER H 1 89 SER QB 3.940 . 3.940 2.633 2.286 3.057 . 0 0 "[ . 1 . ]" 2
669 1 91 HIS HA 1 91 HIS QB 2.500 . 2.500 2.413 2.165 2.538 0.038 12 0 "[ . 1 . ]" 2
670 1 91 HIS HA 1 92 LYS QG 5.500 . 5.500 4.604 3.316 5.574 0.074 8 0 "[ . 1 . ]" 2
671 1 91 HIS QB 1 93 GLU H 4.410 . 4.410 3.759 2.107 4.441 0.031 8 0 "[ . 1 . ]" 2
672 1 92 LYS HA 1 93 GLU H 4.940 . 4.940 2.957 2.250 3.570 . 0 0 "[ . 1 . ]" 2
673 1 93 GLU HA 1 93 GLU QG 2.810 . 2.810 2.349 2.081 2.658 . 0 0 "[ . 1 . ]" 2
674 1 93 GLU HA 1 94 LEU H 2.500 . 2.500 2.304 2.139 2.457 . 0 0 "[ . 1 . ]" 2
675 1 93 GLU H 1 94 LEU H 4.940 . 4.940 4.519 4.295 4.649 . 0 0 "[ . 1 . ]" 2
676 1 93 GLU HA 1 93 GLU QB 2.500 . 2.500 2.450 2.243 2.524 0.024 8 0 "[ . 1 . ]" 2
677 1 93 GLU QB 1 94 LEU H 3.520 . 3.520 2.873 2.285 3.511 . 0 0 "[ . 1 . ]" 2
678 1 94 LEU HA 1 94 LEU QD 2.500 . 2.500 2.118 1.895 2.462 0.005 8 0 "[ . 1 . ]" 2
679 1 94 LEU HA 1 95 LYS H 3.520 . 3.520 2.177 2.140 2.271 . 0 0 "[ . 1 . ]" 2
680 1 94 LEU QB 1 95 LYS H 5.500 . 5.500 3.454 2.715 3.961 . 0 0 "[ . 1 . ]" 2
681 1 94 LEU QB 1 94 LEU QD 2.500 . 2.500 1.947 1.901 2.020 . 0 0 "[ . 1 . ]" 2
682 1 94 LEU QD 1 95 LYS H 5.500 . 5.500 3.336 2.248 4.044 . 0 0 "[ . 1 . ]" 2
683 1 95 LYS HA 1 95 LYS QB 2.500 . 2.500 2.310 2.150 2.507 0.007 16 0 "[ . 1 . ]" 2
684 1 95 LYS HA 1 95 LYS QG 3.150 . 3.150 2.662 2.105 3.278 0.128 14 0 "[ . 1 . ]" 2
685 1 95 LYS H 1 95 LYS QB 3.940 . 3.940 2.633 2.143 3.229 . 0 0 "[ . 1 . ]" 2
686 1 94 LEU H 1 95 LYS H 5.500 . 5.500 4.455 4.184 4.622 . 0 0 "[ . 1 . ]" 2
687 1 96 THR HA 1 97 ASP H 3.940 . 3.940 2.169 2.142 2.208 . 0 0 "[ . 1 . ]" 2
688 1 96 THR HA 1 96 THR MG 2.500 . 2.500 2.203 1.938 2.439 . 0 0 "[ . 1 . ]" 2
689 1 96 THR H 1 96 THR MG 5.500 . 5.500 3.207 2.414 3.921 . 0 0 "[ . 1 . ]" 2
690 1 97 ASP HA 1 97 ASP QB 2.500 . 2.500 2.370 2.158 2.532 0.032 14 0 "[ . 1 . ]" 2
691 1 97 ASP H 1 97 ASP QB 4.410 . 4.410 2.734 2.101 3.485 . 0 0 "[ . 1 . ]" 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 58
_Distance_constraint_stats_list.Viol_count 157
_Distance_constraint_stats_list.Viol_total 29.810
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0119
_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 17 ARG 0.017 0.014 4 0 "[ . 1 . ]"
1 19 ILE 0.004 0.004 11 0 "[ . 1 . ]"
1 20 HIS 0.016 0.010 4 0 "[ . 1 . ]"
1 21 ILE 0.062 0.016 2 0 "[ . 1 . ]"
1 22 ARG 0.165 0.029 3 0 "[ . 1 . ]"
1 29 THR 0.176 0.033 11 0 "[ . 1 . ]"
1 30 GLU 0.104 0.017 9 0 "[ . 1 . ]"
1 31 GLY 0.019 0.008 13 0 "[ . 1 . ]"
1 32 GLU 0.018 0.006 6 0 "[ . 1 . ]"
1 33 VAL 0.564 0.047 3 0 "[ . 1 . ]"
1 34 ILE 0.126 0.017 9 0 "[ . 1 . ]"
1 35 SER 0.019 0.008 13 0 "[ . 1 . ]"
1 36 LEU 0.018 0.006 6 0 "[ . 1 . ]"
1 37 GLY 0.388 0.047 3 0 "[ . 1 . ]"
1 38 LEU 0.022 0.013 10 0 "[ . 1 . ]"
1 45 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 47 LEU 0.066 0.016 16 0 "[ . 1 . ]"
1 49 LEU 0.352 0.047 11 0 "[ . 1 . ]"
1 54 GLN 0.352 0.047 11 0 "[ . 1 . ]"
1 55 ALA 0.062 0.016 2 0 "[ . 1 . ]"
1 56 PHE 0.066 0.016 16 0 "[ . 1 . ]"
1 57 ILE 0.004 0.004 11 0 "[ . 1 . ]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 59 MET 0.017 0.014 4 0 "[ . 1 . ]"
1 61 THR 0.023 0.009 6 0 "[ . 1 . ]"
1 62 GLU 0.004 0.004 15 0 "[ . 1 . ]"
1 63 GLU 0.039 0.010 12 0 "[ . 1 . ]"
1 64 ALA 0.012 0.012 15 0 "[ . 1 . ]"
1 65 ALA 0.181 0.024 7 0 "[ . 1 . ]"
1 66 ASN 0.057 0.013 14 0 "[ . 1 . ]"
1 67 THR 0.074 0.013 11 0 "[ . 1 . ]"
1 68 MET 0.092 0.019 8 0 "[ . 1 . ]"
1 69 VAL 0.158 0.024 7 0 "[ . 1 . ]"
1 70 ASN 0.053 0.013 14 0 "[ . 1 . ]"
1 71 TYR 0.035 0.013 11 0 "[ . 1 . ]"
1 72 TYR 0.080 0.019 8 0 "[ . 1 . ]"
1 79 LEU 0.051 0.013 15 0 "[ . 1 . ]"
1 82 GLN 0.051 0.013 15 0 "[ . 1 . ]"
1 85 TYR 0.165 0.029 3 0 "[ . 1 . ]"
1 87 GLN 0.016 0.010 4 0 "[ . 1 . ]"
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 22 ARG H 1 85 TYR O 2.300 . 2.500 2.117 1.806 2.450 . 0 0 "[ . 1 . ]" 3
2 1 22 ARG N 1 85 TYR O 3.300 2.500 3.500 2.779 2.526 3.062 . 0 0 "[ . 1 . ]" 3
3 1 22 ARG O 1 85 TYR H 2.300 . 2.500 2.488 2.241 2.529 0.029 3 0 "[ . 1 . ]" 3
4 1 22 ARG O 1 85 TYR N 3.300 2.500 3.500 2.943 2.691 3.109 . 0 0 "[ . 1 . ]" 3
5 1 20 HIS O 1 87 GLN H 2.300 . 2.500 1.951 1.790 2.312 0.010 4 0 "[ . 1 . ]" 3
6 1 20 HIS O 1 87 GLN N 3.300 2.500 3.500 2.748 2.494 3.138 0.006 12 0 "[ . 1 . ]" 3
7 1 19 ILE H 1 57 ILE O 2.300 . 2.500 2.063 1.802 2.330 . 0 0 "[ . 1 . ]" 3
8 1 19 ILE N 1 57 ILE O 3.300 2.500 3.500 2.955 2.745 3.244 . 0 0 "[ . 1 . ]" 3
9 1 21 ILE H 1 55 ALA O 2.300 . 2.500 1.997 1.784 2.474 0.016 2 0 "[ . 1 . ]" 3
10 1 21 ILE N 1 55 ALA O 3.300 2.500 3.500 2.890 2.726 3.190 . 0 0 "[ . 1 . ]" 3
11 1 21 ILE O 1 55 ALA H 2.300 . 2.500 2.419 2.198 2.511 0.011 4 0 "[ . 1 . ]" 3
12 1 21 ILE O 1 55 ALA N 3.300 2.500 3.500 3.298 3.134 3.386 . 0 0 "[ . 1 . ]" 3
13 1 19 ILE O 1 57 ILE H 2.300 . 2.500 2.363 2.107 2.504 0.004 11 0 "[ . 1 . ]" 3
14 1 19 ILE O 1 57 ILE N 3.300 2.500 3.500 3.293 3.010 3.443 . 0 0 "[ . 1 . ]" 3
15 1 17 ARG O 1 59 MET H 2.300 . 2.500 2.231 1.799 2.514 0.014 4 0 "[ . 1 . ]" 3
16 1 17 ARG O 1 59 MET N 3.300 2.500 3.500 3.162 2.738 3.465 . 0 0 "[ . 1 . ]" 3
17 1 47 LEU H 1 56 PHE O 2.300 . 2.500 1.934 1.784 2.291 0.016 16 0 "[ . 1 . ]" 3
18 1 47 LEU N 1 56 PHE O 3.300 2.500 3.500 2.835 2.556 3.029 . 0 0 "[ . 1 . ]" 3
19 1 49 LEU H 1 54 GLN O 2.300 . 2.500 2.201 1.793 2.521 0.021 6 0 "[ . 1 . ]" 3
20 1 49 LEU N 1 54 GLN O 3.300 2.500 3.500 2.983 2.594 3.205 . 0 0 "[ . 1 . ]" 3
21 1 49 LEU O 1 54 GLN H 2.300 . 2.500 2.511 2.427 2.547 0.047 11 0 "[ . 1 . ]" 3
22 1 49 LEU O 1 54 GLN N 3.300 2.500 3.500 3.450 3.383 3.499 . 0 0 "[ . 1 . ]" 3
23 1 47 LEU O 1 56 PHE H 2.300 . 2.500 1.977 1.788 2.448 0.012 3 0 "[ . 1 . ]" 3
24 1 47 LEU O 1 56 PHE N 3.300 2.500 3.500 2.827 2.488 3.181 0.012 5 0 "[ . 1 . ]" 3
25 1 45 ASN O 1 58 GLU H 2.300 . 2.500 2.102 1.803 2.448 . 0 0 "[ . 1 . ]" 3
26 1 45 ASN O 1 58 GLU N 3.300 2.500 3.500 2.967 2.640 3.284 . 0 0 "[ . 1 . ]" 3
27 1 29 THR O 1 33 VAL H 2.300 . 2.500 2.373 1.893 2.533 0.033 11 0 "[ . 1 . ]" 3
28 1 29 THR O 1 33 VAL N 3.300 2.500 3.500 3.334 2.869 3.498 . 0 0 "[ . 1 . ]" 3
29 1 30 GLU O 1 34 ILE H 2.300 . 2.500 1.810 1.783 1.928 0.017 9 0 "[ . 1 . ]" 3
30 1 30 GLU O 1 34 ILE N 3.300 2.500 3.500 2.686 2.563 2.771 . 0 0 "[ . 1 . ]" 3
31 1 31 GLY O 1 35 SER H 2.300 . 2.500 2.242 1.799 2.508 0.008 13 0 "[ . 1 . ]" 3
32 1 31 GLY O 1 35 SER N 3.300 2.500 3.500 2.996 2.572 3.267 . 0 0 "[ . 1 . ]" 3
33 1 32 GLU O 1 36 LEU H 2.300 . 2.500 2.414 2.094 2.506 0.006 6 0 "[ . 1 . ]" 3
34 1 32 GLU O 1 36 LEU N 3.300 2.500 3.500 3.286 2.990 3.391 . 0 0 "[ . 1 . ]" 3
35 1 33 VAL O 1 37 GLY H 2.300 . 2.500 2.524 2.503 2.547 0.047 3 0 "[ . 1 . ]" 3
36 1 33 VAL O 1 37 GLY N 3.300 2.500 3.500 3.358 3.117 3.473 . 0 0 "[ . 1 . ]" 3
37 1 34 ILE O 1 38 LEU H 2.300 . 2.500 1.906 1.787 2.172 0.013 10 0 "[ . 1 . ]" 3
38 1 34 ILE O 1 38 LEU N 3.300 2.500 3.500 2.663 2.503 2.936 . 0 0 "[ . 1 . ]" 3
39 1 61 THR O 1 65 ALA H 2.300 . 2.500 2.438 2.315 2.509 0.009 6 0 "[ . 1 . ]" 3
40 1 61 THR O 1 65 ALA N 3.300 2.500 3.500 3.366 3.232 3.480 . 0 0 "[ . 1 . ]" 3
41 1 62 GLU O 1 66 ASN H 2.300 . 2.500 2.068 1.796 2.329 0.004 15 0 "[ . 1 . ]" 3
42 1 62 GLU O 1 66 ASN N 3.300 2.500 3.500 2.988 2.719 3.283 . 0 0 "[ . 1 . ]" 3
43 1 63 GLU O 1 67 THR H 2.300 . 2.500 2.482 2.376 2.510 0.010 12 0 "[ . 1 . ]" 3
44 1 63 GLU O 1 67 THR N 3.300 2.500 3.500 3.343 3.149 3.483 . 0 0 "[ . 1 . ]" 3
45 1 64 ALA O 1 68 MET H 2.300 . 2.500 2.236 2.002 2.512 0.012 15 0 "[ . 1 . ]" 3
46 1 64 ALA O 1 68 MET N 3.300 2.500 3.500 3.118 2.870 3.285 . 0 0 "[ . 1 . ]" 3
47 1 65 ALA O 1 69 VAL H 2.300 . 2.500 2.503 2.431 2.524 0.024 7 0 "[ . 1 . ]" 3
48 1 65 ALA O 1 69 VAL N 3.300 2.500 3.500 3.433 3.360 3.483 . 0 0 "[ . 1 . ]" 3
49 1 66 ASN O 1 70 ASN H 2.300 . 2.500 1.843 1.787 1.986 0.013 14 0 "[ . 1 . ]" 3
50 1 66 ASN O 1 70 ASN N 3.300 2.500 3.500 2.693 2.507 2.872 . 0 0 "[ . 1 . ]" 3
51 1 67 THR O 1 71 TYR H 2.300 . 2.500 1.936 1.787 2.318 0.013 11 0 "[ . 1 . ]" 3
52 1 67 THR O 1 71 TYR N 3.300 2.500 3.500 2.794 2.590 3.104 . 0 0 "[ . 1 . ]" 3
53 1 68 MET O 1 72 TYR H 2.300 . 2.500 2.415 2.163 2.519 0.019 8 0 "[ . 1 . ]" 3
54 1 68 MET O 1 72 TYR N 3.300 2.500 3.500 3.298 3.025 3.451 . 0 0 "[ . 1 . ]" 3
55 1 79 LEU H 1 82 GLN O 2.300 . 2.500 2.065 1.787 2.508 0.013 15 0 "[ . 1 . ]" 3
56 1 79 LEU N 1 82 GLN O 3.300 2.500 3.500 2.894 2.569 3.221 . 0 0 "[ . 1 . ]" 3
57 1 79 LEU O 1 82 GLN H 2.300 . 2.500 2.073 1.788 2.503 0.012 13 0 "[ . 1 . ]" 3
58 1 79 LEU O 1 82 GLN N 3.300 2.500 3.500 2.805 2.551 3.228 . 0 0 "[ . 1 . ]" 3
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 2:26:01 AM GMT (wattos1)