NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452248 |
2rqm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqm
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 500
_Distance_constraint_stats_list.Viol_count 514
_Distance_constraint_stats_list.Viol_total 503.707
_Distance_constraint_stats_list.Viol_max 0.372
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0490
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 0.108 0.056 9 0 "[ . 1 . 2]"
1 3 ILE 0.320 0.117 8 0 "[ . 1 . 2]"
1 4 ARG 0.161 0.056 9 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TYR 1.192 0.177 11 0 "[ . 1 . 2]"
1 7 ASN 0.024 0.024 17 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.013 0.013 3 0 "[ . 1 . 2]"
1 11 MET 0.914 0.177 11 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.003 0.003 6 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TRP 0.003 0.003 6 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.565 0.146 3 0 "[ . 1 . 2]"
1 24 ILE 0.551 0.146 3 0 "[ . 1 . 2]"
1 25 GLU 0.186 0.132 8 0 "[ . 1 . 2]"
1 26 GLU 0.323 0.132 8 0 "[ . 1 . 2]"
1 27 GLY 0.151 0.127 7 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.013 0.013 19 0 "[ . 1 . 2]"
1 30 PRO 0.013 0.013 19 0 "[ . 1 . 2]"
1 31 GLU 1.994 0.212 11 0 "[ . 1 . 2]"
1 32 HIS 1.994 0.212 11 0 "[ . 1 . 2]"
1 33 LYS 0.675 0.115 15 0 "[ . 1 . 2]"
1 34 ARG 1.345 0.132 15 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.669 0.132 15 0 "[ . 1 . 2]"
1 37 ALA 0.081 0.062 20 0 "[ . 1 . 2]"
1 38 PRO 0.081 0.062 20 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.080 0.033 1 0 "[ . 1 . 2]"
1 43 LYS 0.080 0.033 1 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PRO 0.013 0.013 10 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.013 0.013 10 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 0.207 0.079 12 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.218 0.079 12 0 "[ . 1 . 2]"
1 53 LEU 0.010 0.010 5 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.316 0.168 3 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.316 0.168 3 0 "[ . 1 . 2]"
1 62 LEU 0.448 0.120 10 0 "[ . 1 . 2]"
1 63 MET 0.390 0.085 18 0 "[ . 1 . 2]"
1 64 MET 0.755 0.174 4 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.022 0.022 6 0 "[ . 1 . 2]"
1 69 SER 1.245 0.087 14 0 "[ . 1 . 2]"
1 70 GLY 1.222 0.087 14 0 "[ . 1 . 2]"
1 71 ASN 1.321 0.153 11 0 "[ . 1 . 2]"
1 72 PRO 0.482 0.097 9 0 "[ . 1 . 2]"
1 73 THR 4.216 0.372 18 0 "[ . 1 . 2]"
1 74 GLU 0.820 0.150 6 0 "[ . 1 . 2]"
1 75 LYS 2.272 0.165 16 0 "[ . 1 . 2]"
1 76 GLU 1.362 0.372 18 0 "[ . 1 . 2]"
1 77 THR 0.174 0.056 10 0 "[ . 1 . 2]"
1 78 GLU 0.050 0.048 14 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.160 0.065 11 0 "[ . 1 . 2]"
1 81 THR 0.542 0.081 18 0 "[ . 1 . 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.162 0.058 17 0 "[ . 1 . 2]"
1 84 TRP 1.178 0.065 11 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.050 0.050 9 0 "[ . 1 . 2]"
1 87 SER 0.317 0.080 12 0 "[ . 1 . 2]"
1 88 LEU 0.712 0.066 9 0 "[ . 1 . 2]"
1 89 PHE 0.926 0.080 12 0 "[ . 1 . 2]"
1 90 ASN 0.526 0.133 18 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TYR 0.896 0.133 18 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 VAL 0.121 0.034 3 0 "[ . 1 . 2]"
1 96 GLN 0.508 0.159 12 0 "[ . 1 . 2]"
1 97 ARG 0.528 0.159 12 0 "[ . 1 . 2]"
1 98 PHE 0.020 0.020 17 0 "[ . 1 . 2]"
1 99 ILE 0.097 0.081 16 0 "[ . 1 . 2]"
1 100 VAL 0.025 0.021 14 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.730 0.081 18 0 "[ . 1 . 2]"
1 106 ILE 0.046 0.021 14 0 "[ . 1 . 2]"
1 107 PHE 2.013 0.091 9 0 "[ . 1 . 2]"
1 108 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LEU 1.383 0.348 7 0 "[ . 1 . 2]"
1 110 ARG 1.723 0.348 7 0 "[ . 1 . 2]"
1 111 ASP 0.729 0.113 15 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 TYR 0.118 0.038 14 0 "[ . 1 . 2]"
1 115 ALA 0.198 0.048 18 0 "[ . 1 . 2]"
1 116 TRP 1.995 0.174 4 0 "[ . 1 . 2]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ILE 0.853 0.091 9 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 PHE 0.386 0.055 2 0 "[ . 1 . 2]"
1 122 LEU 0.442 0.063 14 0 "[ . 1 . 2]"
1 123 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 SER 0.044 0.027 20 0 "[ . 1 . 2]"
1 125 GLN 0.817 0.142 3 0 "[ . 1 . 2]"
1 126 ASP 0.409 0.142 3 0 "[ . 1 . 2]"
1 127 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 VAL 0.037 0.037 10 0 "[ . 1 . 2]"
1 132 THR 0.543 0.127 13 0 "[ . 1 . 2]"
1 133 LEU 1.032 0.127 13 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 MET 0.273 0.097 8 0 "[ . 1 . 2]"
1 138 TYR 0.509 0.122 11 0 "[ . 1 . 2]"
1 139 PRO 1.147 0.139 5 0 "[ . 1 . 2]"
1 140 GLY 0.761 0.139 5 0 "[ . 1 . 2]"
1 141 LYS 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 34 ARG HB3 1 35 PRO HD2 3.000 . 6.000 4.342 3.272 4.980 . 0 0 "[ . 1 . 2]" 1
2 1 44 LEU MD2 1 45 ASP HA 3.000 . 7.000 6.088 5.575 6.788 . 0 0 "[ . 1 . 2]" 1
3 1 89 PHE QD 1 107 PHE QE 3.000 . 6.000 5.930 5.493 6.047 0.047 17 0 "[ . 1 . 2]" 1
4 1 88 LEU MD2 1 89 PHE QD 3.000 . 6.500 5.178 4.505 6.009 . 0 0 "[ . 1 . 2]" 1
5 1 77 THR HG1 1 99 ILE MD 3.000 . 6.500 3.619 2.089 4.901 . 0 0 "[ . 1 . 2]" 1
6 1 99 ILE MD 1 105 ALA MB 3.000 . 5.500 4.124 2.123 4.758 . 0 0 "[ . 1 . 2]" 1
7 1 100 VAL MG1 1 106 ILE MD 3.000 . 6.000 3.954 2.756 5.844 . 0 0 "[ . 1 . 2]" 1
8 1 100 VAL MG1 1 106 ILE QG 3.000 . 6.000 5.032 3.803 6.021 0.021 14 0 "[ . 1 . 2]" 1
9 1 116 TRP HH2 1 138 TYR QE 3.000 . 6.000 5.493 4.218 6.122 0.122 11 0 "[ . 1 . 2]" 1
10 1 116 TRP HH2 1 138 TYR QD 3.000 . 6.000 4.300 2.168 5.844 . 0 0 "[ . 1 . 2]" 1
11 1 64 MET ME 1 118 ILE HB 3.000 . 6.000 5.356 4.713 5.985 . 0 0 "[ . 1 . 2]" 1
12 1 88 LEU MD1 1 118 ILE MD 3.000 . 6.000 2.281 1.970 4.200 . 0 0 "[ . 1 . 2]" 1
13 1 88 LEU MD2 1 118 ILE QG 3.000 . 6.000 2.374 2.077 3.474 . 0 0 "[ . 1 . 2]" 1
14 1 121 PHE QE 1 122 LEU MD1 3.000 . 6.000 5.689 5.120 6.043 0.043 8 0 "[ . 1 . 2]" 1
15 1 3 ILE HA 1 6 TYR H 2.000 . 5.000 3.761 3.166 5.010 0.010 1 0 "[ . 1 . 2]" 1
16 1 4 ARG HA 1 5 ASP H 2.000 . 4.000 3.510 3.465 3.566 . 0 0 "[ . 1 . 2]" 1
17 1 4 ARG QB 1 5 ASP H 2.000 . 4.000 2.829 2.380 3.604 . 0 0 "[ . 1 . 2]" 1
18 1 5 ASP HA 1 6 TYR H 2.000 . 4.000 3.552 3.530 3.580 . 0 0 "[ . 1 . 2]" 1
19 1 5 ASP H 1 6 TYR H 2.000 . 4.000 2.784 2.592 2.979 . 0 0 "[ . 1 . 2]" 1
20 1 7 ASN HA 1 8 ASP H 2.000 . 4.000 3.568 3.542 3.607 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASP HA 1 13 ARG H 2.000 . 5.000 3.699 3.263 4.387 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASP QB 1 11 MET H 2.000 . 4.000 2.501 2.296 2.773 . 0 0 "[ . 1 . 2]" 1
23 1 11 MET ME 1 12 ALA H 2.000 . 6.000 4.970 4.581 5.385 . 0 0 "[ . 1 . 2]" 1
24 1 12 ALA H 1 14 LEU H 2.000 . 5.000 3.989 3.741 4.277 . 0 0 "[ . 1 . 2]" 1
25 1 13 ARG H 1 14 LEU H 2.000 . 4.000 2.692 2.467 2.887 . 0 0 "[ . 1 . 2]" 1
26 1 13 ARG QB 1 14 LEU H 2.000 . 4.000 2.800 2.385 3.211 . 0 0 "[ . 1 . 2]" 1
27 1 14 LEU HA 1 15 LEU H 2.000 . 4.000 3.559 3.527 3.612 . 0 0 "[ . 1 . 2]" 1
28 1 20 LYS QB 1 21 ASP H 2.000 . 4.000 2.803 2.334 3.470 . 0 0 "[ . 1 . 2]" 1
29 1 21 ASP HA 1 22 ASP H 2.000 . 4.000 3.552 3.516 3.581 . 0 0 "[ . 1 . 2]" 1
30 1 22 ASP HA 1 25 GLU H 2.000 . 5.000 3.477 3.035 3.969 . 0 0 "[ . 1 . 2]" 1
31 1 23 ASP H 1 24 ILE HG13 2.000 . 4.500 4.340 3.681 4.646 0.146 3 0 "[ . 1 . 2]" 1
32 1 33 LYS HA 1 34 ARG H 2.000 . 4.000 2.393 2.125 2.663 . 0 0 "[ . 1 . 2]" 1
33 1 33 LYS HE3 1 34 ARG H 2.000 . 4.000 3.695 2.424 4.115 0.115 15 0 "[ . 1 . 2]" 1
34 1 39 ILE HA 1 40 ASP H 2.000 . 4.000 3.446 3.178 3.567 . 0 0 "[ . 1 . 2]" 1
35 1 39 ILE QG 1 40 ASP H 2.000 . 4.700 3.423 2.186 4.509 . 0 0 "[ . 1 . 2]" 1
36 1 40 ASP HA 1 41 PHE H 2.000 . 4.000 3.548 3.502 3.566 . 0 0 "[ . 1 . 2]" 1
37 1 40 ASP HB2 1 41 PHE H 2.000 . 4.400 3.128 2.183 3.861 . 0 0 "[ . 1 . 2]" 1
38 1 41 PHE HA 1 42 SER H 2.000 . 4.000 3.520 3.467 3.567 . 0 0 "[ . 1 . 2]" 1
39 1 41 PHE QD 1 42 SER H 2.000 . 5.000 4.122 3.850 4.451 . 0 0 "[ . 1 . 2]" 1
40 1 42 SER HA 1 43 LYS H 2.000 . 4.000 3.501 3.447 3.552 . 0 0 "[ . 1 . 2]" 1
41 1 42 SER HB2 1 43 LYS H 2.000 . 4.000 3.474 2.804 4.033 0.033 1 0 "[ . 1 . 2]" 1
42 1 44 LEU HB2 1 45 ASP H 2.000 . 6.000 2.944 2.290 3.931 . 0 0 "[ . 1 . 2]" 1
43 1 46 PRO HA 1 47 GLY H 2.000 . 6.000 2.822 2.166 3.595 . 0 0 "[ . 1 . 2]" 1
44 1 46 PRO QD 1 47 GLY H 2.000 . 5.500 4.046 2.224 5.006 . 0 0 "[ . 1 . 2]" 1
45 1 47 GLY H 1 48 LYS H 2.000 . 4.500 2.778 2.005 3.760 . 0 0 "[ . 1 . 2]" 1
46 1 51 SER H 1 52 ILE H 2.000 . 4.000 2.813 2.490 3.170 . 0 0 "[ . 1 . 2]" 1
47 1 63 MET H 1 134 GLU H 2.000 . 6.000 3.531 2.807 4.275 . 0 0 "[ . 1 . 2]" 1
48 1 66 VAL MG1 1 122 LEU H 2.000 . 6.500 5.800 5.400 6.305 . 0 0 "[ . 1 . 2]" 1
49 1 68 VAL QG 1 69 SER H 2.000 . 4.000 2.900 1.778 3.299 0.022 6 0 "[ . 1 . 2]" 1
50 1 71 ASN HD21 1 73 THR HB 2.000 . 4.000 3.585 2.624 4.153 0.153 11 0 "[ . 1 . 2]" 1
51 1 71 ASN HD22 1 73 THR HB 2.000 . 4.000 3.421 1.942 4.114 0.114 16 0 "[ . 1 . 2]" 1
52 1 73 THR HB 1 75 LYS H 2.000 . 4.000 3.379 2.381 4.094 0.094 2 0 "[ . 1 . 2]" 1
53 1 74 GLU HB2 1 75 LYS H 2.000 . 4.000 3.617 2.833 4.092 0.092 9 0 "[ . 1 . 2]" 1
54 1 75 LYS HB3 1 76 GLU H 2.000 . 4.000 3.708 3.092 4.134 0.134 6 0 "[ . 1 . 2]" 1
55 1 81 THR HA 1 84 TRP H 2.000 . 4.000 3.374 3.193 3.661 . 0 0 "[ . 1 . 2]" 1
56 1 83 LEU QD 1 84 TRP H 2.000 . 5.500 3.881 3.010 4.091 . 0 0 "[ . 1 . 2]" 1
57 1 87 SER H 1 88 LEU H 2.000 . 4.000 2.750 2.331 2.913 . 0 0 "[ . 1 . 2]" 1
58 1 90 ASN HA 1 91 ALA H 2.000 . 4.000 3.472 3.425 3.544 . 0 0 "[ . 1 . 2]" 1
59 1 92 ASN HA 1 93 TYR H 2.000 . 4.000 2.819 2.297 3.111 . 0 0 "[ . 1 . 2]" 1
60 1 90 ASN H 1 93 TYR H 2.000 . 5.000 4.948 4.683 5.133 0.133 18 0 "[ . 1 . 2]" 1
61 1 92 ASN H 1 93 TYR H 2.000 . 4.000 2.763 2.546 3.199 . 0 0 "[ . 1 . 2]" 1
62 1 96 GLN QB 1 97 ARG H 2.000 . 4.000 3.229 2.476 3.917 . 0 0 "[ . 1 . 2]" 1
63 1 97 ARG HA 1 108 MET H 2.000 . 5.000 3.300 2.780 3.814 . 0 0 "[ . 1 . 2]" 1
64 1 97 ARG H 1 98 PHE QD 2.000 . 5.000 4.487 3.818 5.020 0.020 17 0 "[ . 1 . 2]" 1
65 1 99 ILE QG 1 100 VAL H 2.000 . 5.000 3.382 2.802 3.727 . 0 0 "[ . 1 . 2]" 1
66 1 103 ASP HA 1 104 ARG H 2.000 . 4.000 3.453 3.248 3.565 . 0 0 "[ . 1 . 2]" 1
67 1 109 LEU QB 1 111 ASP H 2.000 . 4.000 2.860 2.258 3.868 . 0 0 "[ . 1 . 2]" 1
68 1 110 ARG H 1 111 ASP HA 2.000 . 5.000 5.012 4.790 5.113 0.113 15 0 "[ . 1 . 2]" 1
69 1 131 VAL HA 1 132 THR H 2.000 . 4.000 2.171 2.123 2.285 . 0 0 "[ . 1 . 2]" 1
70 1 131 VAL QG 1 132 THR H 2.000 . 4.000 2.887 2.055 3.263 . 0 0 "[ . 1 . 2]" 1
71 1 132 THR H 1 133 LEU HA 2.000 . 5.000 4.925 4.537 5.127 0.127 13 0 "[ . 1 . 2]" 1
72 1 1 GLY QA 1 2 ASP H 3.000 . 5.000 2.312 2.125 2.771 . 0 0 "[ . 1 . 2]" 1
73 1 2 ASP HA 1 3 ILE H 3.000 . 5.000 2.766 2.140 3.554 . 0 0 "[ . 1 . 2]" 1
74 1 3 ILE H 1 4 ARG H 3.000 . 5.000 2.789 1.783 4.437 0.017 4 0 "[ . 1 . 2]" 1
75 1 3 ILE QG 1 4 ARG H 3.000 . 5.000 3.633 2.302 4.631 . 0 0 "[ . 1 . 2]" 1
76 1 4 ARG H 1 5 ASP H 3.000 . 5.000 2.656 2.073 2.834 . 0 0 "[ . 1 . 2]" 1
77 1 6 TYR HA 1 7 ASN H 3.000 . 5.000 3.545 3.507 3.565 . 0 0 "[ . 1 . 2]" 1
78 1 6 TYR H 1 7 ASN H 3.000 . 5.000 2.679 2.434 2.811 . 0 0 "[ . 1 . 2]" 1
79 1 9 ALA HA 1 10 ASP H 3.000 . 5.000 3.579 3.563 3.593 . 0 0 "[ . 1 . 2]" 1
80 1 9 ALA MB 1 10 ASP H 3.000 . 5.000 2.218 1.980 2.554 . 0 0 "[ . 1 . 2]" 1
81 1 11 MET HA 1 12 ALA H 3.000 . 5.000 3.563 3.526 3.599 . 0 0 "[ . 1 . 2]" 1
82 1 11 MET H 1 13 ARG H 3.000 . 6.000 4.181 3.922 4.560 . 0 0 "[ . 1 . 2]" 1
83 1 12 ALA HA 1 13 ARG H 3.000 . 5.000 3.561 3.525 3.603 . 0 0 "[ . 1 . 2]" 1
84 1 12 ALA MB 1 13 ARG H 3.000 . 5.000 2.470 2.163 2.786 . 0 0 "[ . 1 . 2]" 1
85 1 12 ALA H 1 13 ARG H 3.000 . 5.000 2.684 2.542 2.919 . 0 0 "[ . 1 . 2]" 1
86 1 13 ARG H 1 15 LEU H 3.000 . 6.000 4.285 4.026 4.650 . 0 0 "[ . 1 . 2]" 1
87 1 15 LEU HA 1 16 GLU H 3.000 . 5.000 3.218 2.456 3.582 . 0 0 "[ . 1 . 2]" 1
88 1 21 ASP HA 1 24 ILE H 3.000 . 5.000 3.476 3.133 3.898 . 0 0 "[ . 1 . 2]" 1
89 1 20 LYS H 1 21 ASP H 3.000 . 5.000 2.679 2.439 2.876 . 0 0 "[ . 1 . 2]" 1
90 1 23 ASP HA 1 27 GLY H 3.000 . 6.000 4.911 2.685 6.012 0.012 1 0 "[ . 1 . 2]" 1
91 1 24 ILE HA 1 25 GLU H 3.000 . 5.000 3.515 3.358 3.586 . 0 0 "[ . 1 . 2]" 1
92 1 24 ILE H 1 25 GLU H 3.000 . 5.000 2.544 2.261 2.768 . 0 0 "[ . 1 . 2]" 1
93 1 25 GLU HA 1 26 GLU H 3.000 . 5.000 3.504 3.393 3.582 . 0 0 "[ . 1 . 2]" 1
94 1 25 GLU HB2 1 26 GLU H 3.000 . 5.000 3.333 2.484 4.088 . 0 0 "[ . 1 . 2]" 1
95 1 25 GLU HG3 1 26 GLU H 3.000 . 5.000 4.552 3.646 5.132 0.132 8 0 "[ . 1 . 2]" 1
96 1 26 GLU HA 1 27 GLY H 3.000 . 5.000 2.878 2.156 3.575 . 0 0 "[ . 1 . 2]" 1
97 1 26 GLU HB3 1 27 GLY H 3.000 . 5.000 3.482 1.801 4.503 . 0 0 "[ . 1 . 2]" 1
98 1 27 GLY QA 1 28 ASP H 3.000 . 5.000 2.573 2.237 2.904 . 0 0 "[ . 1 . 2]" 1
99 1 28 ASP HA 1 29 LEU H 3.000 . 5.000 2.227 2.129 2.470 . 0 0 "[ . 1 . 2]" 1
100 1 30 PRO HA 1 31 GLU H 3.000 . 5.000 2.449 2.144 3.260 . 0 0 "[ . 1 . 2]" 1
101 1 31 GLU HA 1 32 HIS H 3.000 . 5.000 3.373 3.234 3.525 . 0 0 "[ . 1 . 2]" 1
102 1 31 GLU H 1 32 HIS H 3.000 . 5.000 2.426 2.158 2.691 . 0 0 "[ . 1 . 2]" 1
103 1 32 HIS HB2 1 33 LYS H 3.000 . 5.000 4.262 3.616 4.537 . 0 0 "[ . 1 . 2]" 1
104 1 33 LYS HB2 1 34 ARG H 3.000 . 5.000 3.793 3.025 4.412 . 0 0 "[ . 1 . 2]" 1
105 1 33 LYS H 1 34 ARG H 3.000 . 5.000 4.509 4.279 4.606 . 0 0 "[ . 1 . 2]" 1
106 1 36 SER HA 1 37 ALA H 3.000 . 5.000 2.159 2.126 2.238 . 0 0 "[ . 1 . 2]" 1
107 1 36 SER H 1 37 ALA H 3.000 . 5.000 4.300 4.026 4.524 . 0 0 "[ . 1 . 2]" 1
108 1 36 SER H 1 37 ALA MB 3.000 . 7.000 5.336 4.805 5.692 . 0 0 "[ . 1 . 2]" 1
109 1 38 PRO HA 1 39 ILE H 3.000 . 5.000 2.581 2.145 3.575 . 0 0 "[ . 1 . 2]" 1
110 1 46 PRO QB 1 47 GLY H 3.000 . 4.000 2.783 1.966 3.675 . 0 0 "[ . 1 . 2]" 1
111 1 49 PRO HA 1 50 GLU H 3.000 . 5.500 2.812 2.132 3.568 . 0 0 "[ . 1 . 2]" 1
112 1 49 PRO HA 1 51 SER H 3.000 . 5.500 3.973 3.217 5.327 . 0 0 "[ . 1 . 2]" 1
113 1 50 GLU H 1 51 SER H 3.000 . 5.000 2.912 2.229 4.229 . 0 0 "[ . 1 . 2]" 1
114 1 50 GLU QB 1 51 SER H 3.000 . 5.000 3.527 2.855 3.897 . 0 0 "[ . 1 . 2]" 1
115 1 51 SER QB 1 52 ILE H 3.000 . 5.000 2.796 2.305 3.476 . 0 0 "[ . 1 . 2]" 1
116 1 52 ILE HA 1 53 LEU H 3.000 . 5.000 3.531 3.484 3.580 . 0 0 "[ . 1 . 2]" 1
117 1 52 ILE HB 1 53 LEU H 3.000 . 5.000 3.708 3.379 3.978 . 0 0 "[ . 1 . 2]" 1
118 1 52 ILE MD 1 53 LEU H 3.000 . 5.000 2.756 1.790 3.870 0.010 5 0 "[ . 1 . 2]" 1
119 1 54 LYS QB 1 55 MET H 3.000 . 5.000 2.730 2.454 2.918 . 0 0 "[ . 1 . 2]" 1
120 1 63 MET HB2 1 107 PHE H 3.000 . 6.000 5.056 3.314 6.085 0.085 18 0 "[ . 1 . 2]" 1
121 1 65 PHE QB 1 66 VAL H 3.000 . 5.000 3.500 3.186 3.671 . 0 0 "[ . 1 . 2]" 1
122 1 65 PHE QD 1 107 PHE H 3.000 . 6.000 5.446 5.055 5.935 . 0 0 "[ . 1 . 2]" 1
123 1 66 VAL H 1 105 ALA H 3.000 . 5.000 3.243 2.717 3.621 . 0 0 "[ . 1 . 2]" 1
124 1 66 VAL MG1 1 67 THR H 3.000 . 5.000 3.265 2.915 4.081 . 0 0 "[ . 1 . 2]" 1
125 1 66 VAL QG 1 67 THR H 3.000 . 5.000 3.162 2.863 3.690 . 0 0 "[ . 1 . 2]" 1
126 1 67 THR HA 1 68 VAL H 3.000 . 5.000 2.167 2.107 2.230 . 0 0 "[ . 1 . 2]" 1
127 1 68 VAL HA 1 69 SER H 3.000 . 5.000 3.558 3.515 3.594 . 0 0 "[ . 1 . 2]" 1
128 1 69 SER HA 1 70 GLY H 2.000 . 3.500 3.561 3.541 3.587 0.087 14 0 "[ . 1 . 2]" 1
129 1 70 GLY QA 1 71 ASN H 3.000 . 5.000 2.886 2.754 2.918 . 0 0 "[ . 1 . 2]" 1
130 1 72 PRO HA 1 73 THR H 3.000 . 5.000 3.513 3.459 3.585 . 0 0 "[ . 1 . 2]" 1
131 1 71 ASN HD22 1 72 PRO HD3 3.000 . 6.000 5.842 5.066 6.097 0.097 9 0 "[ . 1 . 2]" 1
132 1 73 THR HA 1 74 GLU H 3.000 . 5.000 2.191 2.108 2.498 . 0 0 "[ . 1 . 2]" 1
133 1 73 THR HB 1 74 GLU H 3.000 . 5.000 3.793 2.292 4.422 . 0 0 "[ . 1 . 2]" 1
134 1 73 THR HG1 1 74 GLU H 3.000 . 5.000 4.657 3.802 5.150 0.150 6 0 "[ . 1 . 2]" 1
135 1 74 GLU H 1 75 LYS H 3.000 . 5.000 2.577 2.149 2.801 . 0 0 "[ . 1 . 2]" 1
136 1 75 LYS H 1 76 GLU H 3.000 . 5.000 2.872 2.599 3.101 . 0 0 "[ . 1 . 2]" 1
137 1 76 GLU H 1 77 THR H 3.000 . 5.000 2.803 2.640 3.004 . 0 0 "[ . 1 . 2]" 1
138 1 77 THR HA 1 78 GLU H 3.000 . 5.000 3.529 3.485 3.567 . 0 0 "[ . 1 . 2]" 1
139 1 77 THR HB 1 78 GLU H 3.000 . 5.000 3.403 2.510 4.047 . 0 0 "[ . 1 . 2]" 1
140 1 77 THR HG1 1 78 GLU H 3.000 . 5.000 4.727 4.300 5.048 0.048 14 0 "[ . 1 . 2]" 1
141 1 77 THR HG1 1 104 ARG H 3.000 . 6.000 4.144 3.274 5.215 . 0 0 "[ . 1 . 2]" 1
142 1 77 THR HG1 1 105 ALA H 3.000 . 6.000 5.069 3.850 6.056 0.056 10 0 "[ . 1 . 2]" 1
143 1 78 GLU HA 1 81 THR H 3.000 . 5.000 3.875 3.648 4.092 . 0 0 "[ . 1 . 2]" 1
144 1 78 GLU H 1 79 GLU H 3.000 . 5.000 2.744 2.643 2.902 . 0 0 "[ . 1 . 2]" 1
145 1 79 GLU H 1 80 ILE H 3.000 . 5.000 2.825 2.718 2.989 . 0 0 "[ . 1 . 2]" 1
146 1 80 ILE HG12 1 81 THR H 3.000 . 5.000 4.891 3.836 5.011 0.011 3 0 "[ . 1 . 2]" 1
147 1 80 ILE H 1 81 THR H 3.000 . 5.000 2.687 2.590 2.787 . 0 0 "[ . 1 . 2]" 1
148 1 81 THR HA 1 85 GLN H 3.000 . 5.000 3.871 3.674 4.025 . 0 0 "[ . 1 . 2]" 1
149 1 81 THR HG1 1 82 SER H 3.000 . 5.000 4.403 4.240 4.594 . 0 0 "[ . 1 . 2]" 1
150 1 82 SER HA 1 85 GLN H 3.000 . 5.000 3.388 3.047 3.817 . 0 0 "[ . 1 . 2]" 1
151 1 82 SER H 1 83 LEU H 3.000 . 5.000 2.634 2.495 2.725 . 0 0 "[ . 1 . 2]" 1
152 1 83 LEU H 1 84 TRP H 3.000 . 5.000 2.752 2.681 2.911 . 0 0 "[ . 1 . 2]" 1
153 1 84 TRP H 1 85 GLN H 3.000 . 5.000 2.727 2.512 2.914 . 0 0 "[ . 1 . 2]" 1
154 1 86 GLY HA3 1 87 SER H 3.000 . 5.000 2.707 2.524 2.912 . 0 0 "[ . 1 . 2]" 1
155 1 86 GLY H 1 87 SER H 3.000 . 5.000 2.736 2.473 2.884 . 0 0 "[ . 1 . 2]" 1
156 1 87 SER QB 1 88 LEU H 3.000 . 5.000 2.593 2.283 3.102 . 0 0 "[ . 1 . 2]" 1
157 1 87 SER QB 1 89 PHE H 3.000 . 5.000 4.788 4.470 5.080 0.080 12 0 "[ . 1 . 2]" 1
158 1 88 LEU MD2 1 122 LEU H 3.000 . 5.500 5.381 5.029 5.563 0.063 14 0 "[ . 1 . 2]" 1
159 1 89 PHE HB3 1 90 ASN H 3.000 . 5.000 3.854 3.680 4.211 . 0 0 "[ . 1 . 2]" 1
160 1 89 PHE HB2 1 90 ASN H 3.000 . 5.000 3.161 2.924 3.560 . 0 0 "[ . 1 . 2]" 1
161 1 88 LEU H 1 89 PHE H 3.000 . 5.000 2.612 2.270 2.834 . 0 0 "[ . 1 . 2]" 1
162 1 89 PHE H 1 90 ASN H 3.000 . 5.000 2.521 2.316 2.619 . 0 0 "[ . 1 . 2]" 1
163 1 89 PHE H 1 93 TYR H 3.000 . 5.500 4.703 4.521 5.071 . 0 0 "[ . 1 . 2]" 1
164 1 88 LEU H 1 90 ASN H 3.000 . 5.000 3.905 3.588 4.387 . 0 0 "[ . 1 . 2]" 1
165 1 90 ASN H 1 91 ALA H 3.000 . 5.000 2.449 2.380 2.523 . 0 0 "[ . 1 . 2]" 1
166 1 90 ASN QB 1 91 ALA H 3.000 . 5.000 3.071 2.477 3.657 . 0 0 "[ . 1 . 2]" 1
167 1 90 ASN QD 1 91 ALA H 3.000 . 5.000 4.244 3.401 4.876 . 0 0 "[ . 1 . 2]" 1
168 1 91 ALA HA 1 92 ASN H 3.000 . 5.000 3.205 3.073 3.359 . 0 0 "[ . 1 . 2]" 1
169 1 91 ALA H 1 92 ASN H 3.000 . 5.000 2.451 2.356 2.582 . 0 0 "[ . 1 . 2]" 1
170 1 91 ALA H 1 93 TYR H 3.000 . 5.000 3.833 3.235 4.779 . 0 0 "[ . 1 . 2]" 1
171 1 91 ALA MB 1 92 ASN H 3.000 . 5.000 3.331 3.059 3.469 . 0 0 "[ . 1 . 2]" 1
172 1 91 ALA MB 1 93 TYR H 3.000 . 5.000 3.443 2.956 4.355 . 0 0 "[ . 1 . 2]" 1
173 1 94 ASP HA 1 95 VAL H 3.000 . 5.000 2.339 2.145 3.056 . 0 0 "[ . 1 . 2]" 1
174 1 94 ASP H 1 95 VAL H 3.000 . 5.000 3.829 2.678 4.249 . 0 0 "[ . 1 . 2]" 1
175 1 95 VAL HA 1 96 GLN H 3.000 . 5.000 2.346 2.146 2.631 . 0 0 "[ . 1 . 2]" 1
176 1 94 ASP H 1 95 VAL QG 3.000 . 5.000 3.599 2.945 4.120 . 0 0 "[ . 1 . 2]" 1
177 1 96 GLN HE22 1 97 ARG H 3.000 . 6.000 5.068 3.392 6.127 0.127 19 0 "[ . 1 . 2]" 1
178 1 97 ARG HA 1 98 PHE H 3.000 . 5.000 2.157 2.098 2.222 . 0 0 "[ . 1 . 2]" 1
179 1 98 PHE HA 1 99 ILE H 3.000 . 5.000 2.288 2.164 2.400 . 0 0 "[ . 1 . 2]" 1
180 1 98 PHE HA 1 106 ILE H 3.000 . 6.000 5.047 4.870 5.159 . 0 0 "[ . 1 . 2]" 1
181 1 99 ILE QG 1 101 GLY H 3.000 . 5.500 3.987 3.545 4.994 . 0 0 "[ . 1 . 2]" 1
182 1 99 ILE QG 1 104 ARG H 3.000 . 6.300 4.702 3.810 5.938 . 0 0 "[ . 1 . 2]" 1
183 1 100 VAL HA 1 101 GLY H 3.000 . 5.500 2.163 2.138 2.225 . 0 0 "[ . 1 . 2]" 1
184 1 98 PHE H 1 100 VAL MG1 3.000 . 6.500 5.319 4.530 5.774 . 0 0 "[ . 1 . 2]" 1
185 1 100 VAL MG1 1 101 GLY H 3.000 . 5.500 4.072 3.870 4.254 . 0 0 "[ . 1 . 2]" 1
186 1 102 SER H 1 103 ASP H 3.000 . 5.000 2.906 2.818 3.042 . 0 0 "[ . 1 . 2]" 1
187 1 102 SER QB 1 103 ASP H 3.000 . 5.000 3.115 2.800 3.699 . 0 0 "[ . 1 . 2]" 1
188 1 103 ASP H 1 104 ARG H 3.000 . 5.000 2.515 2.145 2.806 . 0 0 "[ . 1 . 2]" 1
189 1 104 ARG HA 1 105 ALA H 3.000 . 5.000 2.280 2.127 2.570 . 0 0 "[ . 1 . 2]" 1
190 1 104 ARG QB 1 105 ALA H 3.000 . 5.000 2.727 1.994 3.488 . 0 0 "[ . 1 . 2]" 1
191 1 100 VAL H 1 105 ALA HA 3.000 . 5.500 3.281 2.731 3.928 . 0 0 "[ . 1 . 2]" 1
192 1 105 ALA HA 1 106 ILE H 3.000 . 6.000 2.286 2.180 2.508 . 0 0 "[ . 1 . 2]" 1
193 1 105 ALA MB 1 106 ILE H 3.000 . 6.000 2.854 2.263 3.291 . 0 0 "[ . 1 . 2]" 1
194 1 98 PHE H 1 106 ILE H 3.000 . 6.000 3.279 2.977 3.722 . 0 0 "[ . 1 . 2]" 1
195 1 106 ILE QG 1 107 PHE H 3.000 . 6.000 2.843 2.372 4.191 . 0 0 "[ . 1 . 2]" 1
196 1 106 ILE QG 1 108 MET H 3.000 . 6.000 3.891 3.319 4.651 . 0 0 "[ . 1 . 2]" 1
197 1 64 MET H 1 107 PHE H 3.000 . 5.000 2.974 2.591 3.364 . 0 0 "[ . 1 . 2]" 1
198 1 64 MET H 1 108 MET HA 3.000 . 5.000 3.621 3.325 3.972 . 0 0 "[ . 1 . 2]" 1
199 1 108 MET HA 1 109 LEU H 3.000 . 5.000 2.163 2.115 2.227 . 0 0 "[ . 1 . 2]" 1
200 1 111 ASP HA 1 113 SER H 3.000 . 6.000 4.104 3.488 4.505 . 0 0 "[ . 1 . 2]" 1
201 1 113 SER QB 1 114 TYR H 3.000 . 5.500 2.710 2.028 3.451 . 0 0 "[ . 1 . 2]" 1
202 1 114 TYR H 1 115 ALA H 3.000 . 5.500 2.561 2.107 2.835 . 0 0 "[ . 1 . 2]" 1
203 1 115 ALA H 1 116 TRP H 3.000 . 5.000 2.851 2.706 3.054 . 0 0 "[ . 1 . 2]" 1
204 1 115 ALA MB 1 116 TRP H 3.000 . 5.000 2.425 2.106 2.639 . 0 0 "[ . 1 . 2]" 1
205 1 116 TRP QB 1 117 GLU H 3.000 . 5.000 2.846 2.581 3.104 . 0 0 "[ . 1 . 2]" 1
206 1 118 ILE QG 1 122 LEU H 3.000 . 5.000 3.918 3.738 4.039 . 0 0 "[ . 1 . 2]" 1
207 1 119 LYS QB 1 120 ASP H 3.000 . 5.000 2.423 2.139 2.575 . 0 0 "[ . 1 . 2]" 1
208 1 120 ASP H 1 121 PHE H 3.000 . 5.000 2.690 2.591 2.811 . 0 0 "[ . 1 . 2]" 1
209 1 120 ASP QB 1 121 PHE H 3.000 . 5.000 2.579 2.272 3.557 . 0 0 "[ . 1 . 2]" 1
210 1 121 PHE HA 1 124 SER H 3.000 . 5.000 3.636 3.337 3.956 . 0 0 "[ . 1 . 2]" 1
211 1 121 PHE H 1 122 LEU H 3.000 . 5.000 2.772 2.697 2.895 . 0 0 "[ . 1 . 2]" 1
212 1 121 PHE QB 1 122 LEU H 3.000 . 5.000 2.555 2.434 2.682 . 0 0 "[ . 1 . 2]" 1
213 1 121 PHE QD 1 122 LEU H 3.000 . 5.000 3.447 3.203 3.686 . 0 0 "[ . 1 . 2]" 1
214 1 120 ASP H 1 122 LEU H 3.000 . 5.000 4.162 3.954 4.349 . 0 0 "[ . 1 . 2]" 1
215 1 123 VAL H 1 124 SER H 3.000 . 5.000 2.519 2.428 2.609 . 0 0 "[ . 1 . 2]" 1
216 1 120 ASP H 1 123 VAL QG 3.000 . 5.000 3.957 3.728 4.558 . 0 0 "[ . 1 . 2]" 1
217 1 123 VAL QG 1 124 SER H 3.000 . 5.000 2.811 2.394 3.478 . 0 0 "[ . 1 . 2]" 1
218 1 124 SER H 1 125 GLN H 3.000 . 5.000 2.608 2.346 2.765 . 0 0 "[ . 1 . 2]" 1
219 1 122 LEU H 1 124 SER QB 3.000 . 5.000 4.832 4.395 5.027 0.027 20 0 "[ . 1 . 2]" 1
220 1 125 GLN HA 1 126 ASP H 3.000 . 5.000 2.221 2.119 2.383 . 0 0 "[ . 1 . 2]" 1
221 1 125 GLN HG3 1 126 ASP H 3.000 . 5.000 4.050 2.241 5.142 0.142 3 0 "[ . 1 . 2]" 1
222 1 126 ASP HA 1 127 ARG H 3.000 . 5.000 3.482 3.248 3.565 . 0 0 "[ . 1 . 2]" 1
223 1 126 ASP QB 1 127 ARG H 3.000 . 5.000 2.895 2.429 3.492 . 0 0 "[ . 1 . 2]" 1
224 1 129 ALA H 1 130 GLU H 3.000 . 5.000 3.899 2.419 4.610 . 0 0 "[ . 1 . 2]" 1
225 1 67 THR H 1 130 GLU H 3.000 . 5.000 3.745 3.211 4.390 . 0 0 "[ . 1 . 2]" 1
226 1 65 PHE H 1 132 THR H 3.000 . 5.000 3.429 3.180 3.750 . 0 0 "[ . 1 . 2]" 1
227 1 139 PRO HA 1 140 GLY H 3.000 . 5.000 2.828 2.140 3.504 . 0 0 "[ . 1 . 2]" 1
228 1 139 PRO HB2 1 140 GLY H 3.000 . 5.000 3.260 1.977 4.229 . 0 0 "[ . 1 . 2]" 1
229 1 140 GLY HA3 1 141 LYS H 3.000 . 5.000 2.798 2.136 3.556 . 0 0 "[ . 1 . 2]" 1
230 1 2 ASP HB2 1 3 ILE H 4.000 . 6.000 3.569 1.938 4.547 . 0 0 "[ . 1 . 2]" 1
231 1 2 ASP H 1 3 ILE H 4.000 . 6.000 3.649 2.002 4.563 . 0 0 "[ . 1 . 2]" 1
232 1 2 ASP H 1 4 ARG H 4.000 . 6.000 5.043 3.835 6.056 0.056 9 0 "[ . 1 . 2]" 1
233 1 3 ILE HA 1 4 ARG H 4.000 . 6.000 3.088 2.135 3.605 . 0 0 "[ . 1 . 2]" 1
234 1 4 ARG H 1 7 ASN HD22 4.000 . 6.000 5.460 4.831 6.024 0.024 17 0 "[ . 1 . 2]" 1
235 1 4 ARG QG 1 5 ASP H 4.000 . 6.000 3.741 1.937 4.629 . 0 0 "[ . 1 . 2]" 1
236 1 6 TYR QD 1 7 ASN HD21 4.000 . 6.000 4.026 2.272 5.843 . 0 0 "[ . 1 . 2]" 1
237 1 12 ALA HA 1 14 LEU H 4.000 . 6.000 4.188 3.892 4.582 . 0 0 "[ . 1 . 2]" 1
238 1 12 ALA HA 1 15 LEU H 4.000 . 6.000 3.359 2.999 3.932 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG HA 1 15 LEU H 4.000 . 6.000 4.604 4.348 5.109 . 0 0 "[ . 1 . 2]" 1
240 1 13 ARG QD 1 14 LEU H 4.000 . 6.000 4.844 3.433 5.648 . 0 0 "[ . 1 . 2]" 1
241 1 23 ASP H 1 24 ILE HB 4.000 . 6.000 5.093 4.623 6.123 0.123 1 0 "[ . 1 . 2]" 1
242 1 23 ASP H 1 24 ILE H 4.000 . 6.000 2.607 2.356 2.808 . 0 0 "[ . 1 . 2]" 1
243 1 21 ASP H 1 24 ILE MD 4.000 . 6.000 4.484 3.894 5.076 . 0 0 "[ . 1 . 2]" 1
244 1 24 ILE QG 1 25 GLU H 4.000 . 6.000 3.770 2.173 4.197 . 0 0 "[ . 1 . 2]" 1
245 1 26 GLU QG 1 27 GLY H 4.000 . 6.000 3.395 1.673 4.542 0.127 7 0 "[ . 1 . 2]" 1
246 1 27 GLY H 1 28 ASP H 4.000 . 6.000 2.821 2.143 3.549 . 0 0 "[ . 1 . 2]" 1
247 1 28 ASP QB 1 29 LEU H 4.000 . 6.000 3.312 2.335 3.991 . 0 0 "[ . 1 . 2]" 1
248 1 28 ASP H 1 29 LEU H 4.000 . 6.000 4.371 3.838 4.606 . 0 0 "[ . 1 . 2]" 1
249 1 30 PRO HA 1 32 HIS H 4.000 . 6.000 3.565 2.910 4.225 . 0 0 "[ . 1 . 2]" 1
250 1 31 GLU QB 1 32 HIS H 4.000 . 6.000 3.233 2.532 3.895 . 0 0 "[ . 1 . 2]" 1
251 1 34 ARG HD3 1 36 SER H 4.000 . 6.000 3.616 2.109 5.278 . 0 0 "[ . 1 . 2]" 1
252 1 34 ARG QD 1 36 SER H 4.000 . 6.000 3.189 1.973 4.165 . 0 0 "[ . 1 . 2]" 1
253 1 35 PRO HB3 1 36 SER H 4.000 . 6.000 4.138 3.683 4.543 . 0 0 "[ . 1 . 2]" 1
254 1 35 PRO HB2 1 36 SER H 4.000 . 6.000 3.199 2.192 4.089 . 0 0 "[ . 1 . 2]" 1
255 1 36 SER QB 1 37 ALA H 4.000 . 6.000 3.495 2.871 3.918 . 0 0 "[ . 1 . 2]" 1
256 1 38 PRO HB3 1 39 ILE H 4.000 . 6.000 4.311 3.600 4.687 . 0 0 "[ . 1 . 2]" 1
257 1 39 ILE HB 1 40 ASP H 4.000 . 6.000 3.436 2.247 4.359 . 0 0 "[ . 1 . 2]" 1
258 1 42 SER H 1 43 LYS H 4.000 . 6.000 2.520 2.300 2.725 . 0 0 "[ . 1 . 2]" 1
259 1 44 LEU H 1 45 ASP H 4.000 . 6.000 2.433 2.290 2.635 . 0 0 "[ . 1 . 2]" 1
260 1 50 GLU HA 1 53 LEU H 4.000 . 6.000 3.414 2.955 4.214 . 0 0 "[ . 1 . 2]" 1
261 1 50 GLU QG 1 51 SER H 4.000 . 6.000 4.444 2.974 5.020 . 0 0 "[ . 1 . 2]" 1
262 1 52 ILE H 1 53 LEU HA 4.000 . 6.000 5.308 5.216 5.477 . 0 0 "[ . 1 . 2]" 1
263 1 65 PHE QB 1 132 THR H 4.000 . 6.000 3.447 2.980 4.099 . 0 0 "[ . 1 . 2]" 1
264 1 66 VAL H 1 67 THR H 4.000 . 6.000 4.204 3.938 4.293 . 0 0 "[ . 1 . 2]" 1
265 1 74 GLU H 1 76 GLU H 4.000 . 6.000 4.731 4.429 5.106 . 0 0 "[ . 1 . 2]" 1
266 1 75 LYS HA 1 76 GLU H 4.000 . 6.000 3.534 3.461 3.576 . 0 0 "[ . 1 . 2]" 1
267 1 75 LYS H 1 77 THR H 4.000 . 6.000 4.596 4.135 5.157 . 0 0 "[ . 1 . 2]" 1
268 1 80 ILE HA 1 83 LEU H 4.000 . 6.000 3.353 3.154 3.686 . 0 0 "[ . 1 . 2]" 1
269 1 80 ILE MD 1 81 THR H 4.000 . 6.000 4.604 4.495 4.688 . 0 0 "[ . 1 . 2]" 1
270 1 80 ILE QG 1 81 THR H 4.000 . 6.000 3.873 3.663 4.001 . 0 0 "[ . 1 . 2]" 1
271 1 83 LEU H 1 85 GLN H 4.000 . 6.000 4.132 3.902 4.576 . 0 0 "[ . 1 . 2]" 1
272 1 83 LEU H 1 84 TRP HA 4.000 . 6.000 5.341 5.287 5.446 . 0 0 "[ . 1 . 2]" 1
273 1 86 GLY HA3 1 90 ASN HD21 4.000 . 6.000 4.550 3.502 6.050 0.050 9 0 "[ . 1 . 2]" 1
274 1 86 GLY QA 1 90 ASN HD21 4.000 . 6.000 3.893 3.033 5.534 . 0 0 "[ . 1 . 2]" 1
275 1 87 SER QB 1 90 ASN HD21 4.000 . 6.000 5.048 3.848 6.038 0.038 13 0 "[ . 1 . 2]" 1
276 1 88 LEU HA 1 91 ALA H 4.000 . 6.000 3.541 3.227 3.964 . 0 0 "[ . 1 . 2]" 1
277 1 90 ASN HA 1 92 ASN H 4.000 . 6.000 3.521 3.312 3.853 . 0 0 "[ . 1 . 2]" 1
278 1 91 ALA HA 1 93 TYR H 4.000 . 6.000 4.941 4.438 5.920 . 0 0 "[ . 1 . 2]" 1
279 1 90 ASN HD21 1 91 ALA H 4.000 . 6.000 4.548 3.758 5.101 . 0 0 "[ . 1 . 2]" 1
280 1 91 ALA H 1 92 ASN HA 4.000 . 6.000 4.618 4.344 4.764 . 0 0 "[ . 1 . 2]" 1
281 1 93 TYR QD 1 94 ASP H 4.000 . 6.000 4.049 3.565 4.486 . 0 0 "[ . 1 . 2]" 1
282 1 94 ASP HB2 1 95 VAL H 4.000 . 6.000 4.509 4.398 4.605 . 0 0 "[ . 1 . 2]" 1
283 1 96 GLN H 1 108 MET H 4.000 . 6.000 3.349 2.696 3.952 . 0 0 "[ . 1 . 2]" 1
284 1 40 ASP QB 1 41 PHE H 4.000 . 6.000 2.490 1.953 3.355 . 0 0 "[ . 1 . 2]" 1
285 1 99 ILE HA 1 106 ILE H 4.000 . 6.500 3.299 2.440 3.590 . 0 0 "[ . 1 . 2]" 1
286 1 101 GLY H 1 104 ARG H 4.000 . 6.000 5.494 5.114 5.743 . 0 0 "[ . 1 . 2]" 1
287 1 104 ARG QD 1 105 ALA H 4.000 . 6.000 4.846 3.936 5.808 . 0 0 "[ . 1 . 2]" 1
288 1 104 ARG H 1 105 ALA H 4.000 . 6.000 4.353 4.224 4.451 . 0 0 "[ . 1 . 2]" 1
289 1 98 PHE H 1 105 ALA MB 4.000 . 6.000 4.292 3.818 4.689 . 0 0 "[ . 1 . 2]" 1
290 1 98 PHE H 1 106 ILE HB 4.000 . 6.000 5.066 4.691 5.496 . 0 0 "[ . 1 . 2]" 1
291 1 98 PHE H 1 106 ILE QG 4.000 . 6.000 4.190 2.408 4.504 . 0 0 "[ . 1 . 2]" 1
292 1 107 PHE HB2 1 108 MET H 4.000 . 6.000 4.368 3.679 4.530 . 0 0 "[ . 1 . 2]" 1
293 1 109 LEU QD 1 111 ASP H 4.000 . 6.000 4.083 3.587 4.583 . 0 0 "[ . 1 . 2]" 1
294 1 113 SER HA 1 114 TYR H 4.000 . 6.000 3.530 3.431 3.609 . 0 0 "[ . 1 . 2]" 1
295 1 114 TYR HB2 1 115 ALA H 4.000 . 6.000 4.405 4.068 4.513 . 0 0 "[ . 1 . 2]" 1
296 1 119 LYS HA 1 122 LEU H 4.000 . 6.000 3.516 3.320 3.735 . 0 0 "[ . 1 . 2]" 1
297 1 122 LEU HB3 1 123 VAL H 4.000 . 6.000 3.585 2.867 3.823 . 0 0 "[ . 1 . 2]" 1
298 1 124 SER HA 1 125 GLN H 4.000 . 6.000 3.359 3.268 3.504 . 0 0 "[ . 1 . 2]" 1
299 1 133 LEU HB3 1 134 GLU H 4.000 . 6.000 3.352 2.510 4.371 . 0 0 "[ . 1 . 2]" 1
300 1 139 PRO HB3 1 140 GLY H 4.000 . 6.000 3.973 2.782 4.702 . 0 0 "[ . 1 . 2]" 1
301 1 140 GLY H 1 141 LYS H 4.000 . 6.000 3.783 2.199 4.571 . 0 0 "[ . 1 . 2]" 1
302 1 6 TYR HA 1 9 ALA H 3.000 . 6.000 4.058 3.641 4.426 . 0 0 "[ . 1 . 2]" 1
303 1 8 ASP HA 1 11 MET H 3.000 . 6.000 4.613 4.333 4.826 . 0 0 "[ . 1 . 2]" 1
304 1 13 ARG HA 1 14 LEU H 3.000 . 6.000 3.497 3.409 3.561 . 0 0 "[ . 1 . 2]" 1
305 1 13 ARG HA 1 16 GLU H 3.000 . 6.000 3.673 3.268 4.497 . 0 0 "[ . 1 . 2]" 1
306 1 20 LYS HA 1 21 ASP H 3.000 . 6.000 3.549 3.500 3.572 . 0 0 "[ . 1 . 2]" 1
307 1 20 LYS HA 1 23 ASP H 3.000 . 6.000 3.409 3.012 3.723 . 0 0 "[ . 1 . 2]" 1
308 1 35 PRO HD2 1 36 SER H 3.000 . 6.000 2.682 2.099 3.084 . 0 0 "[ . 1 . 2]" 1
309 1 44 LEU HA 1 45 ASP H 3.000 . 6.000 3.488 3.342 3.578 . 0 0 "[ . 1 . 2]" 1
310 1 52 ILE HA 1 55 MET H 3.000 . 6.000 3.319 3.076 3.715 . 0 0 "[ . 1 . 2]" 1
311 1 10 ASP QB 1 11 MET ME 2.000 . 5.000 3.796 2.223 5.013 0.013 3 0 "[ . 1 . 2]" 1
312 1 20 LYS QG 1 21 ASP HA 2.000 . 4.000 3.565 3.197 3.938 . 0 0 "[ . 1 . 2]" 1
313 1 29 LEU HA 1 30 PRO HD3 2.000 . 4.000 2.148 1.827 2.749 . 0 0 "[ . 1 . 2]" 1
314 1 29 LEU HA 1 30 PRO HD2 2.000 . 4.000 2.478 2.026 2.950 . 0 0 "[ . 1 . 2]" 1
315 1 34 ARG HA 1 35 PRO HD3 2.000 . 5.000 2.190 1.831 2.637 . 0 0 "[ . 1 . 2]" 1
316 1 37 ALA MB 1 38 PRO HD2 2.000 . 4.500 3.088 2.720 3.521 . 0 0 "[ . 1 . 2]" 1
317 1 45 ASP HA 1 46 PRO HD3 2.000 . 6.000 2.415 1.956 2.762 . 0 0 "[ . 1 . 2]" 1
318 1 50 GLU HA 1 52 ILE MD 2.000 . 5.000 3.995 1.913 5.043 0.043 19 0 "[ . 1 . 2]" 1
319 1 50 GLU HA 1 52 ILE QG 2.000 . 4.000 3.442 2.766 4.079 0.079 12 0 "[ . 1 . 2]" 1
320 1 52 ILE MD 1 53 LEU HA 2.000 . 5.600 3.563 2.462 4.928 . 0 0 "[ . 1 . 2]" 1
321 1 63 MET ME 1 106 ILE HG13 2.000 . 6.000 4.874 3.003 5.985 . 0 0 "[ . 1 . 2]" 1
322 1 63 MET ME 1 106 ILE QG 2.000 . 6.000 4.372 2.456 5.337 . 0 0 "[ . 1 . 2]" 1
323 1 64 MET QB 1 131 VAL QG 2.000 . 4.000 2.258 1.763 3.414 0.037 10 0 "[ . 1 . 2]" 1
324 1 64 MET ME 1 115 ALA MB 2.000 . 5.000 2.464 1.988 3.576 . 0 0 "[ . 1 . 2]" 1
325 1 71 ASN HA 1 72 PRO HD2 2.000 . 4.000 2.791 2.084 3.297 . 0 0 "[ . 1 . 2]" 1
326 1 66 VAL MG1 1 80 ILE QG 2.000 . 6.500 5.024 4.381 6.315 . 0 0 "[ . 1 . 2]" 1
327 1 88 LEU MD2 1 93 TYR QE 2.000 . 5.000 3.162 2.393 4.368 . 0 0 "[ . 1 . 2]" 1
328 1 88 LEU MD2 1 107 PHE QD 2.000 . 5.000 4.820 3.034 5.066 0.066 9 0 "[ . 1 . 2]" 1
329 1 88 LEU HA 1 91 ALA MB 2.000 . 4.000 2.917 2.426 3.845 . 0 0 "[ . 1 . 2]" 1
330 1 78 GLU QB 1 99 ILE MD 2.000 . 5.500 3.113 2.183 4.492 . 0 0 "[ . 1 . 2]" 1
331 1 99 ILE QG 1 105 ALA HA 2.000 . 4.500 3.681 2.708 4.581 0.081 16 0 "[ . 1 . 2]" 1
332 1 98 PHE QD 1 106 ILE QG 2.000 . 7.000 4.034 2.719 4.854 . 0 0 "[ . 1 . 2]" 1
333 1 109 LEU QD 1 118 ILE MD 2.000 . 4.000 2.247 1.782 3.975 0.018 13 0 "[ . 1 . 2]" 1
334 1 107 PHE QD 1 118 ILE QG 2.000 . 4.500 4.538 4.462 4.591 0.091 9 0 "[ . 1 . 2]" 1
335 1 66 VAL MG1 1 122 LEU MD1 2.000 . 4.000 2.929 2.278 3.621 . 0 0 "[ . 1 . 2]" 1
336 1 66 VAL MG1 1 122 LEU MD2 2.000 . 4.000 3.222 2.733 3.604 . 0 0 "[ . 1 . 2]" 1
337 1 84 TRP HZ3 1 122 LEU MD2 2.000 . 4.000 3.665 2.805 4.026 0.026 8 0 "[ . 1 . 2]" 1
338 1 84 TRP QB 1 122 LEU MD2 2.000 . 4.500 3.360 2.684 4.238 . 0 0 "[ . 1 . 2]" 1
339 1 88 LEU MD1 1 122 LEU MD2 2.000 . 4.500 3.022 2.573 3.756 . 0 0 "[ . 1 . 2]" 1
340 1 66 VAL MG1 1 131 VAL HA 2.000 . 4.000 3.132 2.654 3.728 . 0 0 "[ . 1 . 2]" 1
341 1 62 LEU QD 1 133 LEU HA 2.000 . 6.000 4.153 3.079 5.195 . 0 0 "[ . 1 . 2]" 1
342 1 116 TRP HZ3 1 133 LEU MD1 2.000 . 4.000 3.246 1.979 4.064 0.064 7 0 "[ . 1 . 2]" 1
343 1 139 PRO HB2 1 140 GLY HA3 2.000 . 4.500 4.436 3.981 4.639 0.139 5 0 "[ . 1 . 2]" 1
344 1 21 ASP HA 1 24 ILE MD 3.000 . 6.000 2.691 2.071 3.713 . 0 0 "[ . 1 . 2]" 1
345 1 28 ASP HB2 1 29 LEU QD 3.000 . 6.600 5.012 3.749 6.457 . 0 0 "[ . 1 . 2]" 1
346 1 29 LEU QB 1 30 PRO HD3 3.000 . 5.000 3.725 3.045 4.479 . 0 0 "[ . 1 . 2]" 1
347 1 29 LEU QB 1 30 PRO HD2 3.000 . 5.000 2.986 1.787 3.906 0.013 19 0 "[ . 1 . 2]" 1
348 1 29 LEU QD 1 30 PRO HD2 3.000 . 5.000 3.218 1.879 4.302 . 0 0 "[ . 1 . 2]" 1
349 1 31 GLU HA 1 32 HIS HB2 3.000 . 5.500 5.588 5.365 5.712 0.212 11 0 "[ . 1 . 2]" 1
350 1 34 ARG QD 1 36 SER HA 3.000 . 5.000 4.697 3.540 5.132 0.132 15 0 "[ . 1 . 2]" 1
351 1 36 SER HA 1 37 ALA MB 3.000 . 5.000 4.051 3.990 4.147 . 0 0 "[ . 1 . 2]" 1
352 1 37 ALA HA 1 38 PRO HD3 3.000 . 5.000 3.961 3.760 4.342 . 0 0 "[ . 1 . 2]" 1
353 1 37 ALA HA 1 38 PRO HD2 3.000 . 5.000 4.131 3.786 4.390 . 0 0 "[ . 1 . 2]" 1
354 1 45 ASP HA 1 46 PRO HB2 3.000 . 6.000 5.353 4.760 5.828 . 0 0 "[ . 1 . 2]" 1
355 1 45 ASP HA 1 46 PRO HD2 3.000 . 6.000 2.303 1.978 2.816 . 0 0 "[ . 1 . 2]" 1
356 1 63 MET QB 1 65 PHE QD 3.000 . 6.000 4.660 3.916 5.378 . 0 0 "[ . 1 . 2]" 1
357 1 64 MET QB 1 133 LEU MD2 3.000 . 5.000 3.966 2.992 5.005 0.005 16 0 "[ . 1 . 2]" 1
358 1 64 MET ME 1 115 ALA HA 3.000 . 5.000 3.019 2.604 4.226 . 0 0 "[ . 1 . 2]" 1
359 1 64 MET ME 1 119 LYS QE 3.000 . 5.000 4.075 2.242 4.973 . 0 0 "[ . 1 . 2]" 1
360 1 64 MET ME 1 133 LEU MD2 3.000 . 5.000 2.242 1.802 2.976 . 0 0 "[ . 1 . 2]" 1
361 1 66 VAL MG1 1 67 THR HA 3.000 . 7.000 4.291 4.086 5.720 . 0 0 "[ . 1 . 2]" 1
362 1 78 GLU HA 1 99 ILE MD 3.000 . 5.500 2.923 2.179 4.028 . 0 0 "[ . 1 . 2]" 1
363 1 79 GLU HB2 1 80 ILE MD 3.000 . 6.000 5.157 4.932 5.788 . 0 0 "[ . 1 . 2]" 1
364 1 80 ILE HA 1 83 LEU HB2 3.000 . 5.000 2.678 2.480 2.922 . 0 0 "[ . 1 . 2]" 1
365 1 80 ILE HA 1 83 LEU QD 3.000 . 5.000 2.473 2.110 3.130 . 0 0 "[ . 1 . 2]" 1
366 1 80 ILE MD 1 83 LEU HB2 3.000 . 6.500 2.871 2.340 5.324 . 0 0 "[ . 1 . 2]" 1
367 1 80 ILE QG 1 84 TRP HD1 3.000 . 5.000 4.762 4.053 5.065 0.065 11 0 "[ . 1 . 2]" 1
368 1 80 ILE QG 1 84 TRP HZ3 3.000 . 6.000 3.763 3.202 5.149 . 0 0 "[ . 1 . 2]" 1
369 1 81 THR HG1 1 105 ALA HA 3.000 . 5.000 5.008 4.823 5.081 0.081 18 0 "[ . 1 . 2]" 1
370 1 84 TRP HE3 1 88 LEU MD1 3.000 . 5.000 4.806 4.280 5.059 0.059 3 0 "[ . 1 . 2]" 1
371 1 87 SER QB 1 88 LEU MD1 3.000 . 5.000 4.501 2.409 4.979 . 0 0 "[ . 1 . 2]" 1
372 1 88 LEU MD2 1 93 TYR QD 3.000 . 4.500 2.203 1.795 3.223 0.005 12 0 "[ . 1 . 2]" 1
373 1 88 LEU MD2 1 121 PHE QE 3.000 . 5.000 2.934 2.579 4.103 . 0 0 "[ . 1 . 2]" 1
374 1 91 ALA MB 1 93 TYR QD 3.000 . 4.500 3.013 2.318 3.524 . 0 0 "[ . 1 . 2]" 1
375 1 91 ALA MB 1 93 TYR QE 3.000 . 5.000 2.874 2.518 3.280 . 0 0 "[ . 1 . 2]" 1
376 1 81 THR HG1 1 99 ILE MD 3.000 . 5.500 3.776 1.950 4.715 . 0 0 "[ . 1 . 2]" 1
377 1 99 ILE MD 1 105 ALA HA 3.000 . 5.500 4.847 2.697 5.517 0.017 17 0 "[ . 1 . 2]" 1
378 1 77 THR HB 1 99 ILE QG 3.000 . 6.000 4.321 3.369 5.554 . 0 0 "[ . 1 . 2]" 1
379 1 99 ILE HA 1 105 ALA HA 3.000 . 5.500 2.665 2.230 2.990 . 0 0 "[ . 1 . 2]" 1
380 1 63 MET ME 1 106 ILE MD 3.000 . 6.000 3.233 1.779 4.351 0.021 6 0 "[ . 1 . 2]" 1
381 1 65 PHE QD 1 106 ILE MD 3.000 . 6.000 3.637 2.916 4.706 . 0 0 "[ . 1 . 2]" 1
382 1 65 PHE QD 1 106 ILE QG 3.000 . 6.000 3.832 3.416 5.308 . 0 0 "[ . 1 . 2]" 1
383 1 98 PHE HA 1 106 ILE QG 3.000 . 7.000 6.429 4.168 6.777 . 0 0 "[ . 1 . 2]" 1
384 1 98 PHE HB2 1 106 ILE QG 3.000 . 6.000 4.290 2.253 4.832 . 0 0 "[ . 1 . 2]" 1
385 1 106 ILE QG 1 108 MET HA 3.000 . 6.300 4.246 3.737 5.655 . 0 0 "[ . 1 . 2]" 1
386 1 62 LEU MD1 1 115 ALA HA 3.000 . 6.000 4.583 3.578 6.048 0.048 18 0 "[ . 1 . 2]" 1
387 1 115 ALA MB 1 133 LEU MD2 3.000 . 5.000 3.862 2.842 5.015 0.015 8 0 "[ . 1 . 2]" 1
388 1 88 LEU MD2 1 118 ILE HA 3.000 . 5.500 3.858 3.501 4.393 . 0 0 "[ . 1 . 2]" 1
389 1 88 LEU QD 1 118 ILE HA 3.000 . 5.500 3.763 3.432 4.234 . 0 0 "[ . 1 . 2]" 1
390 1 88 LEU MD2 1 118 ILE HG13 3.000 . 5.500 2.436 2.094 4.200 . 0 0 "[ . 1 . 2]" 1
391 1 93 TYR HB2 1 118 ILE MD 3.000 . 5.500 4.455 3.896 4.972 . 0 0 "[ . 1 . 2]" 1
392 1 93 TYR QE 1 118 ILE MD 3.000 . 5.500 4.799 2.696 5.516 0.016 17 0 "[ . 1 . 2]" 1
393 1 114 TYR QD 1 118 ILE MD 3.000 . 5.500 3.748 3.367 4.623 . 0 0 "[ . 1 . 2]" 1
394 1 114 TYR QE 1 118 ILE MD 3.000 . 5.500 3.194 2.411 4.935 . 0 0 "[ . 1 . 2]" 1
395 1 119 LYS HA 1 123 VAL QG 3.000 . 5.000 3.851 3.535 4.589 . 0 0 "[ . 1 . 2]" 1
396 1 88 LEU MD2 1 122 LEU HA 3.000 . 6.500 5.628 5.226 6.111 . 0 0 "[ . 1 . 2]" 1
397 1 88 LEU MD1 1 122 LEU MD1 3.000 . 6.000 4.212 3.473 5.604 . 0 0 "[ . 1 . 2]" 1
398 1 121 PHE QD 1 122 LEU MD1 3.000 . 6.000 4.429 4.121 4.688 . 0 0 "[ . 1 . 2]" 1
399 1 84 TRP HD1 1 122 LEU MD2 3.000 . 6.000 3.949 3.382 4.813 . 0 0 "[ . 1 . 2]" 1
400 1 84 TRP HE3 1 122 LEU MD2 3.000 . 5.000 3.455 2.919 4.106 . 0 0 "[ . 1 . 2]" 1
401 1 84 TRP HH2 1 122 LEU MD2 3.000 . 5.000 3.756 3.274 4.356 . 0 0 "[ . 1 . 2]" 1
402 1 121 PHE QD 1 122 LEU MD2 3.000 . 5.000 2.419 2.106 2.729 . 0 0 "[ . 1 . 2]" 1
403 1 133 LEU MD1 1 138 TYR QE 3.000 . 6.000 4.388 2.629 6.049 0.049 18 0 "[ . 1 . 2]" 1
404 1 116 TRP HE3 1 133 LEU MD2 3.000 . 5.000 4.063 3.270 5.059 0.059 12 0 "[ . 1 . 2]" 1
405 1 116 TRP HZ3 1 133 LEU MD2 3.000 . 5.000 2.543 1.769 3.674 0.031 5 0 "[ . 1 . 2]" 1
406 1 133 LEU MD2 1 138 TYR QE 3.000 . 6.000 4.811 3.489 6.034 0.034 12 0 "[ . 1 . 2]" 1
407 1 106 ILE QG 1 108 MET ME 4.000 . 6.000 4.124 2.434 5.645 . 0 0 "[ . 1 . 2]" 1
408 1 93 TYR QD 1 118 ILE MD 4.000 . 4.500 3.819 2.694 4.465 . 0 0 "[ . 1 . 2]" 1
409 1 88 LEU MD2 1 121 PHE QD 4.000 . 6.000 2.731 2.334 3.659 . 0 0 "[ . 1 . 2]" 1
410 1 84 TRP HZ2 1 122 LEU MD2 4.000 . 6.000 3.539 2.771 3.991 . 0 0 "[ . 1 . 2]" 1
411 1 116 TRP HH2 1 133 LEU MD2 4.000 . 6.000 3.382 2.398 4.951 . 0 0 "[ . 1 . 2]" 1
412 1 31 GLU HA 1 32 HIS HA 3.000 . 6.000 4.629 4.447 4.793 . 0 0 "[ . 1 . 2]" 1
413 1 52 ILE HA 1 53 LEU QB 3.000 . 6.000 5.236 5.151 5.465 . 0 0 "[ . 1 . 2]" 1
414 1 93 TYR QE 1 114 TYR QD 2.000 . 5.000 3.849 3.133 4.362 . 0 0 "[ . 1 . 2]" 1
415 1 93 TYR QE 1 114 TYR QE 2.000 . 5.000 3.999 3.006 5.007 0.007 6 0 "[ . 1 . 2]" 1
416 1 93 TYR QD 1 114 TYR QD 2.000 . 5.500 4.017 3.217 4.635 . 0 0 "[ . 1 . 2]" 1
417 1 93 TYR QD 1 114 TYR QE 2.000 . 5.000 3.589 3.251 4.066 . 0 0 "[ . 1 . 2]" 1
418 1 93 TYR HE2 1 114 TYR QD 2.000 . 5.000 4.812 3.300 5.017 0.017 7 0 "[ . 1 . 2]" 1
419 1 93 TYR HE1 1 114 TYR QD 2.000 . 5.000 4.152 3.165 4.879 . 0 0 "[ . 1 . 2]" 1
420 1 93 TYR HD2 1 114 TYR QE 2.000 . 5.000 4.360 3.769 5.018 0.018 7 0 "[ . 1 . 2]" 1
421 1 93 TYR HD1 1 114 TYR QE 2.000 . 5.000 4.033 3.293 5.038 0.038 14 0 "[ . 1 . 2]" 1
422 1 116 TRP HH2 1 139 PRO HB3 3.000 . 5.000 4.239 2.619 5.069 0.069 4 0 "[ . 1 . 2]" 1
423 1 67 THR HA 1 104 ARG HA 2.000 . 5.000 2.176 1.874 2.620 . 0 0 "[ . 1 . 2]" 1
424 1 66 VAL HA 1 67 THR H 2.000 . 5.000 2.186 2.135 2.208 . 0 0 "[ . 1 . 2]" 1
425 1 66 VAL HB 1 67 THR H 2.000 . 5.000 4.327 3.729 4.430 . 0 0 "[ . 1 . 2]" 1
426 1 73 THR H 1 76 GLU QB 2.000 . 5.800 5.629 5.142 6.172 0.372 18 0 "[ . 1 . 2]" 1
427 1 73 THR H 1 76 GLU QG 2.000 . 5.000 4.792 4.174 5.155 0.155 2 0 "[ . 1 . 2]" 1
428 1 73 THR H 1 75 LYS QD 2.000 . 5.300 5.309 4.612 5.465 0.165 16 0 "[ . 1 . 2]" 1
429 1 90 ASN H 1 91 ALA MB 2.000 . 5.000 4.209 4.113 4.285 . 0 0 "[ . 1 . 2]" 1
430 1 89 PHE HA 1 93 TYR H 2.000 . 5.000 2.828 2.170 3.345 . 0 0 "[ . 1 . 2]" 1
431 1 93 TYR HA 1 94 ASP H 2.000 . 5.000 2.288 2.145 3.550 . 0 0 "[ . 1 . 2]" 1
432 1 100 VAL HA 1 102 SER H 2.000 . 6.500 5.384 4.946 5.497 . 0 0 "[ . 1 . 2]" 1
433 1 99 ILE HA 1 101 GLY H 2.000 . 6.000 5.517 5.175 5.989 . 0 0 "[ . 1 . 2]" 1
434 1 103 ASP H 1 104 ARG QB 2.000 . 6.000 4.808 4.275 5.351 . 0 0 "[ . 1 . 2]" 1
435 1 111 ASP H 1 112 GLY H 2.000 . 5.000 4.371 4.232 4.454 . 0 0 "[ . 1 . 2]" 1
436 1 107 PHE HA 1 108 MET H 2.000 . 5.000 2.164 2.110 2.367 . 0 0 "[ . 1 . 2]" 1
437 1 63 MET QB 1 108 MET H 2.000 . 6.000 4.764 3.551 5.857 . 0 0 "[ . 1 . 2]" 1
438 1 108 MET H 1 109 LEU QD 2.000 . 5.000 3.992 3.240 4.591 . 0 0 "[ . 1 . 2]" 1
439 1 109 LEU H 1 110 ARG QG 2.000 . 6.400 5.888 5.245 6.748 0.348 7 0 "[ . 1 . 2]" 1
440 1 95 VAL HB 1 110 ARG H 2.000 . 6.000 4.963 3.714 6.034 0.034 3 0 "[ . 1 . 2]" 1
441 1 124 SER QB 1 125 GLN H 2.000 . 5.000 3.234 2.791 3.430 . 0 0 "[ . 1 . 2]" 1
442 1 123 VAL QG 1 125 GLN H 2.000 . 6.000 4.132 3.857 4.416 . 0 0 "[ . 1 . 2]" 1
443 1 88 LEU MD2 1 118 ILE HB 2.000 . 5.500 3.750 3.282 4.247 . 0 0 "[ . 1 . 2]" 1
444 1 88 LEU MD2 1 118 ILE MD 2.000 . 5.500 2.551 1.897 2.938 . 0 0 "[ . 1 . 2]" 1
445 1 88 LEU MD2 1 118 ILE MG 2.000 . 5.500 4.456 4.187 4.890 . 0 0 "[ . 1 . 2]" 1
446 1 88 LEU MD2 1 95 VAL HB 2.000 . 6.000 5.618 3.520 6.029 0.029 13 0 "[ . 1 . 2]" 1
447 1 88 LEU MD1 1 95 VAL HB 2.000 . 7.000 4.152 3.104 5.970 . 0 0 "[ . 1 . 2]" 1
448 1 84 TRP HH2 1 125 GLN HE21 2.000 . 5.000 4.678 3.402 5.062 0.062 11 0 "[ . 1 . 2]" 1
449 1 84 TRP HZ2 1 125 GLN HE21 2.000 . 5.000 2.673 1.859 3.672 . 0 0 "[ . 1 . 2]" 1
450 1 83 LEU HB2 1 125 GLN HE21 2.000 . 6.000 5.472 4.251 6.058 0.058 17 0 "[ . 1 . 2]" 1
451 1 89 PHE QD 1 93 TYR QD 2.000 . 6.000 5.898 5.506 6.073 0.073 14 0 "[ . 1 . 2]" 1
452 1 116 TRP HH2 1 139 PRO HB2 2.000 . 6.000 5.182 2.677 6.066 0.066 17 0 "[ . 1 . 2]" 1
453 1 116 TRP HH2 1 139 PRO QD 2.000 . 6.000 2.825 1.900 4.775 . 0 0 "[ . 1 . 2]" 1
454 1 116 TRP HZ2 1 139 PRO HB2 2.000 . 6.000 4.765 3.111 6.106 0.106 5 0 "[ . 1 . 2]" 1
455 1 84 TRP HE1 1 121 PHE QD 2.000 . 6.500 4.395 3.884 4.831 . 0 0 "[ . 1 . 2]" 1
456 1 84 TRP HE3 1 107 PHE QD 2.000 . 5.000 4.779 4.397 4.999 . 0 0 "[ . 1 . 2]" 1
457 1 84 TRP HE3 1 107 PHE QE 2.000 . 5.000 2.721 2.347 3.060 . 0 0 "[ . 1 . 2]" 1
458 1 84 TRP HZ3 1 107 PHE QD 2.000 . 5.000 4.933 4.567 5.048 0.048 16 0 "[ . 1 . 2]" 1
459 1 84 TRP HZ3 1 107 PHE QE 2.000 . 5.000 2.984 2.811 3.210 . 0 0 "[ . 1 . 2]" 1
460 1 84 TRP HD1 1 121 PHE QE 2.000 . 6.000 2.198 1.793 2.798 0.007 8 0 "[ . 1 . 2]" 1
461 1 84 TRP HE3 1 121 PHE QE 2.000 . 6.000 5.941 5.128 6.055 0.055 2 0 "[ . 1 . 2]" 1
462 1 107 PHE QE 1 121 PHE QE 2.000 . 6.000 5.672 5.043 6.020 0.020 3 0 "[ . 1 . 2]" 1
463 1 115 ALA MB 1 116 TRP HE3 2.000 . 4.000 2.923 2.041 3.779 . 0 0 "[ . 1 . 2]" 1
464 1 115 ALA MB 1 116 TRP HZ3 2.000 . 4.000 3.411 2.583 4.040 0.040 6 0 "[ . 1 . 2]" 1
465 1 116 TRP HZ2 1 139 PRO QG 2.000 . 4.600 3.272 1.872 4.612 0.012 12 0 "[ . 1 . 2]" 1
466 1 116 TRP HH2 1 139 PRO QG 2.000 . 4.000 3.189 1.791 4.023 0.023 17 0 "[ . 1 . 2]" 1
467 1 96 GLN HA 1 97 ARG QD 2.000 . 3.500 3.058 2.301 3.659 0.159 12 0 "[ . 1 . 2]" 1
468 1 97 ARG QG 1 98 PHE HA 2.000 . 5.000 3.885 3.354 4.271 . 0 0 "[ . 1 . 2]" 1
469 1 15 LEU QD 1 18 TRP HD1 3.000 . 4.500 2.986 2.111 4.042 . 0 0 "[ . 1 . 2]" 1
470 1 15 LEU QD 1 18 TRP HE1 3.000 . 5.000 3.344 1.797 4.955 0.003 6 0 "[ . 1 . 2]" 1
471 1 11 MET ME 1 14 LEU QD 3.000 . 5.000 3.045 1.922 4.763 . 0 0 "[ . 1 . 2]" 1
472 1 11 MET ME 1 15 LEU QD 3.000 . 5.000 3.622 2.360 4.310 . 0 0 "[ . 1 . 2]" 1
473 1 3 ILE MG 1 6 TYR QE 3.000 . 6.000 5.056 2.905 6.117 0.117 8 0 "[ . 1 . 2]" 1
474 1 3 ILE MG 1 6 TYR QD 3.000 . 6.000 3.984 3.141 4.791 . 0 0 "[ . 1 . 2]" 1
475 1 3 ILE MD 1 6 TYR QE 3.000 . 6.000 4.734 2.236 6.037 0.037 10 0 "[ . 1 . 2]" 1
476 1 3 ILE MD 1 6 TYR QD 3.000 . 6.000 3.945 2.175 5.424 . 0 0 "[ . 1 . 2]" 1
477 1 52 ILE MD 1 55 MET ME 3.000 . 6.000 4.558 4.046 5.496 . 0 0 "[ . 1 . 2]" 1
478 1 52 ILE MG 1 55 MET ME 3.000 . 5.000 2.503 1.873 3.434 . 0 0 "[ . 1 . 2]" 1
479 1 64 MET ME 1 116 TRP HH2 2.000 . 5.000 4.948 4.116 5.174 0.174 4 0 "[ . 1 . 2]" 1
480 1 64 MET ME 1 116 TRP HZ3 2.000 . 5.000 3.357 2.205 3.906 . 0 0 "[ . 1 . 2]" 1
481 1 116 TRP HH2 1 137 MET ME 2.000 . 5.000 3.701 2.318 5.097 0.097 8 0 "[ . 1 . 2]" 1
482 1 116 TRP HZ3 1 137 MET ME 2.000 . 5.000 4.054 2.380 5.062 0.062 5 0 "[ . 1 . 2]" 1
483 1 6 TYR QE 1 11 MET HA 3.000 . 6.000 5.814 4.991 6.177 0.177 11 0 "[ . 1 . 2]" 1
484 1 6 TYR QE 1 11 MET ME 3.000 . 4.000 3.597 2.735 4.093 0.093 7 0 "[ . 1 . 2]" 1
485 1 6 TYR QD 1 11 MET ME 3.000 . 5.500 4.545 3.538 5.228 . 0 0 "[ . 1 . 2]" 1
486 1 36 SER HA 1 38 PRO QD 3.000 . 5.000 3.046 2.805 3.489 . 0 0 "[ . 1 . 2]" 1
487 1 36 SER QB 1 38 PRO QD 3.000 . 5.000 3.254 2.239 4.321 . 0 0 "[ . 1 . 2]" 1
488 1 37 ALA H 1 38 PRO QD 3.000 . 4.000 2.010 1.738 2.294 0.062 20 0 "[ . 1 . 2]" 1
489 1 37 ALA H 1 38 PRO HA 3.000 . 5.500 5.273 5.077 5.495 . 0 0 "[ . 1 . 2]" 1
490 1 40 ASP H 1 41 PHE QD 3.000 . 5.000 4.145 3.697 4.848 . 0 0 "[ . 1 . 2]" 1
491 1 43 LYS H 1 44 LEU QD 3.000 . 5.000 3.723 3.366 4.362 . 0 0 "[ . 1 . 2]" 1
492 1 44 LEU QD 1 45 ASP H 3.000 . 5.000 3.769 2.460 4.082 . 0 0 "[ . 1 . 2]" 1
493 1 46 PRO HA 1 48 LYS H 3.000 . 4.400 3.704 3.089 4.413 0.013 10 0 "[ . 1 . 2]" 1
494 1 46 PRO QB 1 48 LYS H 3.000 . 5.000 3.878 2.319 4.754 . 0 0 "[ . 1 . 2]" 1
495 1 59 GLY H 1 60 LYS H 3.000 . 5.000 2.327 2.025 2.830 . 0 0 "[ . 1 . 2]" 1
496 1 59 GLY H 1 61 THR H 3.000 . 6.500 6.194 5.342 6.668 0.168 3 0 "[ . 1 . 2]" 1
497 1 58 LYS HA 1 59 GLY H 3.000 . 4.000 2.315 2.140 2.432 . 0 0 "[ . 1 . 2]" 1
498 1 58 LYS QB 1 59 GLY H 3.000 . 5.000 2.825 2.386 3.948 . 0 0 "[ . 1 . 2]" 1
499 1 58 LYS QG 1 59 GLY H 3.000 . 6.000 3.708 1.908 4.395 . 0 0 "[ . 1 . 2]" 1
500 1 62 LEU H 1 109 LEU H 3.000 . 4.500 4.093 3.190 4.620 0.120 10 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 106
_Distance_constraint_stats_list.Viol_count 643
_Distance_constraint_stats_list.Viol_total 562.748
_Distance_constraint_stats_list.Viol_max 0.213
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0133
_Distance_constraint_stats_list.Viol_average_violations_only 0.0438
_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 4 ARG 0.022 0.022 2 0 "[ . 1 . 2]"
1 5 ASP 1.170 0.128 1 0 "[ . 1 . 2]"
1 6 TYR 0.652 0.105 10 0 "[ . 1 . 2]"
1 7 ASN 1.740 0.152 9 0 "[ . 1 . 2]"
1 8 ASP 2.487 0.195 3 0 "[ . 1 . 2]"
1 9 ALA 2.653 0.190 12 0 "[ . 1 . 2]"
1 10 ASP 1.762 0.134 10 0 "[ . 1 . 2]"
1 11 MET 1.938 0.152 9 0 "[ . 1 . 2]"
1 12 ALA 3.652 0.213 4 0 "[ . 1 . 2]"
1 13 ARG 1.483 0.190 12 0 "[ . 1 . 2]"
1 14 LEU 1.110 0.134 10 0 "[ . 1 . 2]"
1 15 LEU 0.198 0.059 15 0 "[ . 1 . 2]"
1 16 GLU 1.269 0.213 4 0 "[ . 1 . 2]"
1 17 GLN 0.673 0.104 8 0 "[ . 1 . 2]"
1 18 TRP 0.384 0.060 14 0 "[ . 1 . 2]"
1 19 GLU 0.786 0.142 11 0 "[ . 1 . 2]"
1 20 LYS 0.362 0.050 13 0 "[ . 1 . 2]"
1 21 ASP 1.088 0.104 8 0 "[ . 1 . 2]"
1 22 ASP 0.646 0.111 9 0 "[ . 1 . 2]"
1 23 ASP 0.786 0.142 11 0 "[ . 1 . 2]"
1 24 ILE 0.281 0.050 13 0 "[ . 1 . 2]"
1 25 GLU 0.415 0.096 18 0 "[ . 1 . 2]"
1 26 GLU 0.262 0.111 9 0 "[ . 1 . 2]"
1 39 ILE 0.150 0.062 6 0 "[ . 1 . 2]"
1 40 ASP 0.243 0.067 5 0 "[ . 1 . 2]"
1 41 PHE 0.533 0.089 2 0 "[ . 1 . 2]"
1 43 LYS 0.150 0.062 6 0 "[ . 1 . 2]"
1 44 LEU 0.243 0.067 5 0 "[ . 1 . 2]"
1 45 ASP 0.533 0.089 2 0 "[ . 1 . 2]"
1 50 GLU 0.702 0.097 11 0 "[ . 1 . 2]"
1 51 SER 0.434 0.095 19 0 "[ . 1 . 2]"
1 52 ILE 1.128 0.124 18 0 "[ . 1 . 2]"
1 54 LYS 0.702 0.097 11 0 "[ . 1 . 2]"
1 55 MET 0.434 0.095 19 0 "[ . 1 . 2]"
1 56 THR 1.128 0.124 18 0 "[ . 1 . 2]"
1 62 LEU 0.098 0.043 3 0 "[ . 1 . 2]"
1 63 MET 1.145 0.145 2 0 "[ . 1 . 2]"
1 64 MET 0.167 0.072 17 0 "[ . 1 . 2]"
1 65 PHE 0.126 0.028 19 0 "[ . 1 . 2]"
1 66 VAL 0.162 0.063 10 0 "[ . 1 . 2]"
1 67 THR 0.364 0.065 16 0 "[ . 1 . 2]"
1 68 VAL 1.522 0.136 19 0 "[ . 1 . 2]"
1 74 GLU 0.133 0.041 19 0 "[ . 1 . 2]"
1 75 LYS 0.441 0.077 4 0 "[ . 1 . 2]"
1 76 GLU 1.133 0.087 8 0 "[ . 1 . 2]"
1 77 THR 0.272 0.061 10 0 "[ . 1 . 2]"
1 78 GLU 0.970 0.081 5 0 "[ . 1 . 2]"
1 79 GLU 0.673 0.077 4 0 "[ . 1 . 2]"
1 80 ILE 1.270 0.087 8 0 "[ . 1 . 2]"
1 81 THR 0.311 0.061 10 0 "[ . 1 . 2]"
1 82 SER 1.865 0.126 20 0 "[ . 1 . 2]"
1 83 LEU 0.450 0.046 5 0 "[ . 1 . 2]"
1 84 TRP 0.139 0.027 8 0 "[ . 1 . 2]"
1 85 GLN 0.040 0.035 14 0 "[ . 1 . 2]"
1 86 GLY 1.028 0.126 20 0 "[ . 1 . 2]"
1 87 SER 0.218 0.046 5 0 "[ . 1 . 2]"
1 88 LEU 0.003 0.003 19 0 "[ . 1 . 2]"
1 96 GLN 0.306 0.061 14 0 "[ . 1 . 2]"
1 98 PHE 0.670 0.080 6 0 "[ . 1 . 2]"
1 103 ASP 1.522 0.136 19 0 "[ . 1 . 2]"
1 105 ALA 0.162 0.063 10 0 "[ . 1 . 2]"
1 106 ILE 0.670 0.080 6 0 "[ . 1 . 2]"
1 107 PHE 0.167 0.072 17 0 "[ . 1 . 2]"
1 108 MET 0.306 0.061 14 0 "[ . 1 . 2]"
1 109 LEU 0.098 0.043 3 0 "[ . 1 . 2]"
1 115 ALA 0.845 0.090 5 0 "[ . 1 . 2]"
1 116 TRP 0.477 0.088 8 0 "[ . 1 . 2]"
1 117 GLU 0.548 0.071 4 0 "[ . 1 . 2]"
1 118 ILE 0.093 0.053 1 0 "[ . 1 . 2]"
1 119 LYS 1.263 0.092 18 0 "[ . 1 . 2]"
1 120 ASP 1.100 0.097 7 0 "[ . 1 . 2]"
1 121 PHE 0.548 0.071 4 0 "[ . 1 . 2]"
1 122 LEU 0.093 0.053 1 0 "[ . 1 . 2]"
1 123 VAL 0.418 0.092 18 0 "[ . 1 . 2]"
1 124 SER 0.623 0.097 7 0 "[ . 1 . 2]"
1 130 GLU 0.364 0.065 16 0 "[ . 1 . 2]"
1 132 THR 0.126 0.028 19 0 "[ . 1 . 2]"
1 134 GLU 1.145 0.145 2 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 62 LEU O 1 109 LEU N 2.700 2.200 3.000 2.833 2.658 2.991 . 0 0 "[ . 1 . 2]" 2
2 1 62 LEU O 1 109 LEU H 1.700 . 2.000 1.931 1.811 2.043 0.043 3 0 "[ . 1 . 2]" 2
3 1 64 MET N 1 107 PHE O 2.700 2.200 3.000 2.851 2.747 3.001 0.001 17 0 "[ . 1 . 2]" 2
4 1 64 MET H 1 107 PHE O 1.700 . 2.000 1.918 1.782 2.072 0.072 17 0 "[ . 1 . 2]" 2
5 1 64 MET O 1 107 PHE N 2.700 2.200 3.000 2.909 2.774 3.001 0.001 3 0 "[ . 1 . 2]" 2
6 1 64 MET O 1 107 PHE H 1.700 . 2.000 1.959 1.834 2.044 0.044 1 0 "[ . 1 . 2]" 2
7 1 66 VAL N 1 105 ALA O 2.700 2.200 3.000 2.853 2.731 2.928 . 0 0 "[ . 1 . 2]" 2
8 1 66 VAL H 1 105 ALA O 1.700 . 2.000 1.909 1.846 2.000 0.000 8 0 "[ . 1 . 2]" 2
9 1 66 VAL O 1 105 ALA N 2.700 2.200 3.000 2.865 2.795 2.963 . 0 0 "[ . 1 . 2]" 2
10 1 66 VAL O 1 105 ALA H 1.700 . 2.000 1.957 1.835 2.063 0.063 10 0 "[ . 1 . 2]" 2
11 1 68 VAL N 1 103 ASP O 2.700 2.200 3.000 2.865 2.724 2.987 . 0 0 "[ . 1 . 2]" 2
12 1 68 VAL H 1 103 ASP O 1.700 . 2.000 2.076 2.010 2.136 0.136 19 0 "[ . 1 . 2]" 2
13 1 98 PHE O 1 106 ILE N 2.700 2.200 3.000 2.916 2.729 3.011 0.011 6 0 "[ . 1 . 2]" 2
14 1 98 PHE O 1 106 ILE H 1.700 . 2.000 1.989 1.897 2.080 0.080 6 0 "[ . 1 . 2]" 2
15 1 98 PHE N 1 106 ILE O 2.700 2.200 3.000 2.938 2.834 3.008 0.008 19 0 "[ . 1 . 2]" 2
16 1 98 PHE H 1 106 ILE O 1.700 . 2.000 1.986 1.897 2.056 0.056 4 0 "[ . 1 . 2]" 2
17 1 96 GLN O 1 108 MET N 2.700 2.200 3.000 2.767 2.651 2.869 . 0 0 "[ . 1 . 2]" 2
18 1 96 GLN O 1 108 MET H 1.700 . 2.000 1.879 1.831 1.940 . 0 0 "[ . 1 . 2]" 2
19 1 96 GLN N 1 108 MET O 2.700 2.200 3.000 2.908 2.711 3.008 0.008 6 0 "[ . 1 . 2]" 2
20 1 96 GLN H 1 108 MET O 1.700 . 2.000 1.964 1.828 2.061 0.061 14 0 "[ . 1 . 2]" 2
21 1 67 THR N 1 130 GLU O 2.700 2.200 3.000 2.807 2.617 2.965 . 0 0 "[ . 1 . 2]" 2
22 1 67 THR H 1 130 GLU O 1.700 . 2.000 1.994 1.879 2.065 0.065 16 0 "[ . 1 . 2]" 2
23 1 65 PHE O 1 132 THR N 2.700 2.200 3.000 2.882 2.617 3.006 0.006 19 0 "[ . 1 . 2]" 2
24 1 65 PHE O 1 132 THR H 1.700 . 2.000 1.950 1.844 2.028 0.028 19 0 "[ . 1 . 2]" 2
25 1 65 PHE N 1 132 THR O 2.700 2.200 3.000 2.757 2.629 2.870 . 0 0 "[ . 1 . 2]" 2
26 1 65 PHE H 1 132 THR O 1.700 . 2.000 1.874 1.830 2.000 0.000 1 0 "[ . 1 . 2]" 2
27 1 63 MET O 1 134 GLU N 2.700 2.200 3.000 2.938 2.719 3.077 0.077 12 0 "[ . 1 . 2]" 2
28 1 63 MET O 1 134 GLU H 1.700 . 2.000 2.015 1.853 2.145 0.145 2 0 "[ . 1 . 2]" 2
29 1 74 GLU O 1 78 GLU N 2.700 2.200 3.000 2.877 2.733 3.009 0.009 10 0 "[ . 1 . 2]" 2
30 1 74 GLU O 1 78 GLU H 1.700 . 2.000 1.940 1.810 2.041 0.041 19 0 "[ . 1 . 2]" 2
31 1 75 LYS O 1 79 GLU N 2.700 2.200 3.000 2.923 2.780 3.040 0.040 18 0 "[ . 1 . 2]" 2
32 1 75 LYS O 1 79 GLU H 1.700 . 2.000 1.961 1.815 2.077 0.077 4 0 "[ . 1 . 2]" 2
33 1 76 GLU O 1 80 ILE N 2.700 2.200 3.000 3.001 2.866 3.059 0.059 8 0 "[ . 1 . 2]" 2
34 1 76 GLU O 1 80 ILE H 1.700 . 2.000 2.029 1.902 2.087 0.087 8 0 "[ . 1 . 2]" 2
35 1 77 THR O 1 81 THR N 2.700 2.200 3.000 2.904 2.824 2.997 . 0 0 "[ . 1 . 2]" 2
36 1 77 THR O 1 81 THR H 1.700 . 2.000 1.989 1.908 2.061 0.061 10 0 "[ . 1 . 2]" 2
37 1 78 GLU O 1 82 SER N 2.700 2.200 3.000 2.924 2.810 3.014 0.014 14 0 "[ . 1 . 2]" 2
38 1 78 GLU O 1 82 SER H 1.700 . 2.000 2.034 1.926 2.081 0.081 5 0 "[ . 1 . 2]" 2
39 1 79 GLU O 1 83 LEU N 2.700 2.200 3.000 2.931 2.888 2.991 . 0 0 "[ . 1 . 2]" 2
40 1 79 GLU O 1 83 LEU H 1.700 . 2.000 2.001 1.921 2.043 0.043 13 0 "[ . 1 . 2]" 2
41 1 80 ILE O 1 84 TRP N 2.700 2.200 3.000 2.920 2.793 2.998 . 0 0 "[ . 1 . 2]" 2
42 1 80 ILE O 1 84 TRP H 1.700 . 2.000 1.970 1.850 2.027 0.027 8 0 "[ . 1 . 2]" 2
43 1 81 THR O 1 85 GLN N 2.700 2.200 3.000 2.784 2.678 3.004 0.004 14 0 "[ . 1 . 2]" 2
44 1 81 THR O 1 85 GLN H 1.700 . 2.000 1.876 1.839 2.035 0.035 14 0 "[ . 1 . 2]" 2
45 1 82 SER O 1 86 GLY N 2.700 2.200 3.000 2.977 2.859 3.029 0.029 13 0 "[ . 1 . 2]" 2
46 1 82 SER O 1 86 GLY H 1.700 . 2.000 2.043 1.973 2.126 0.126 20 0 "[ . 1 . 2]" 2
47 1 83 LEU O 1 87 SER N 2.700 2.200 3.000 2.921 2.771 3.015 0.015 5 0 "[ . 1 . 2]" 2
48 1 83 LEU O 1 87 SER H 1.700 . 2.000 1.985 1.831 2.046 0.046 5 0 "[ . 1 . 2]" 2
49 1 84 TRP O 1 88 LEU N 2.700 2.200 3.000 2.773 2.615 2.901 . 0 0 "[ . 1 . 2]" 2
50 1 84 TRP O 1 88 LEU H 1.700 . 2.000 1.864 1.780 2.003 0.003 19 0 "[ . 1 . 2]" 2
51 1 115 ALA O 1 119 LYS N 2.700 2.200 3.000 2.953 2.859 3.018 0.018 8 0 "[ . 1 . 2]" 2
52 1 115 ALA O 1 119 LYS H 1.700 . 2.000 2.039 1.963 2.090 0.090 5 0 "[ . 1 . 2]" 2
53 1 116 TRP O 1 120 ASP N 2.700 2.200 3.000 2.908 2.734 3.062 0.062 8 0 "[ . 1 . 2]" 2
54 1 116 TRP O 1 120 ASP H 1.700 . 2.000 1.983 1.834 2.088 0.088 8 0 "[ . 1 . 2]" 2
55 1 117 GLU O 1 121 PHE N 2.700 2.200 3.000 2.938 2.794 3.031 0.031 4 0 "[ . 1 . 2]" 2
56 1 117 GLU O 1 121 PHE H 1.700 . 2.000 2.007 1.860 2.071 0.071 4 0 "[ . 1 . 2]" 2
57 1 118 ILE O 1 122 LEU N 2.700 2.200 3.000 2.868 2.715 2.941 . 0 0 "[ . 1 . 2]" 2
58 1 118 ILE O 1 122 LEU H 1.700 . 2.000 1.962 1.846 2.053 0.053 1 0 "[ . 1 . 2]" 2
59 1 119 LYS O 1 123 VAL N 2.700 2.200 3.000 2.931 2.757 3.056 0.056 18 0 "[ . 1 . 2]" 2
60 1 119 LYS O 1 123 VAL H 1.700 . 2.000 1.988 1.828 2.092 0.092 18 0 "[ . 1 . 2]" 2
61 1 120 ASP O 1 124 SER N 2.700 2.200 3.000 2.769 2.675 2.912 . 0 0 "[ . 1 . 2]" 2
62 1 120 ASP O 1 124 SER H 1.700 . 2.000 2.012 1.880 2.097 0.097 7 0 "[ . 1 . 2]" 2
63 1 50 GLU O 1 54 LYS N 2.700 2.200 3.000 2.893 2.734 3.005 0.005 13 0 "[ . 1 . 2]" 2
64 1 50 GLU O 1 54 LYS H 1.700 . 2.000 2.009 1.868 2.097 0.097 11 0 "[ . 1 . 2]" 2
65 1 51 SER O 1 55 MET N 2.700 2.200 3.000 2.813 2.703 3.016 0.016 19 0 "[ . 1 . 2]" 2
66 1 51 SER O 1 55 MET H 1.700 . 2.000 1.979 1.809 2.095 0.095 19 0 "[ . 1 . 2]" 2
67 1 52 ILE O 1 56 THR N 2.700 2.200 3.000 2.827 2.721 2.950 . 0 0 "[ . 1 . 2]" 2
68 1 52 ILE O 1 56 THR H 1.700 . 2.000 2.056 2.010 2.124 0.124 18 0 "[ . 1 . 2]" 2
69 1 4 ARG O 1 8 ASP N 2.700 2.200 3.000 2.840 2.673 2.970 . 0 0 "[ . 1 . 2]" 2
70 1 4 ARG O 1 8 ASP H 1.700 . 2.000 1.892 1.748 2.022 0.022 2 0 "[ . 1 . 2]" 2
71 1 5 ASP O 1 9 ALA N 2.700 2.200 3.000 2.956 2.779 3.049 0.049 15 0 "[ . 1 . 2]" 2
72 1 5 ASP O 1 9 ALA H 1.700 . 2.000 2.047 1.958 2.128 0.128 1 0 "[ . 1 . 2]" 2
73 1 6 TYR O 1 10 ASP N 2.700 2.200 3.000 2.817 2.692 2.907 . 0 0 "[ . 1 . 2]" 2
74 1 6 TYR O 1 10 ASP H 1.700 . 2.000 2.014 1.893 2.105 0.105 10 0 "[ . 1 . 2]" 2
75 1 7 ASN O 1 11 MET N 2.700 2.200 3.000 2.853 2.715 2.989 . 0 0 "[ . 1 . 2]" 2
76 1 7 ASN O 1 11 MET H 1.700 . 2.000 2.087 2.014 2.152 0.152 9 0 "[ . 1 . 2]" 2
77 1 8 ASP O 1 12 ALA N 2.700 2.200 3.000 2.968 2.895 3.050 0.050 3 0 "[ . 1 . 2]" 2
78 1 8 ASP O 1 12 ALA H 1.700 . 2.000 2.117 1.991 2.195 0.195 3 0 "[ . 1 . 2]" 2
79 1 9 ALA O 1 13 ARG N 2.700 2.200 3.000 2.966 2.778 3.059 0.059 12 0 "[ . 1 . 2]" 2
80 1 9 ALA O 1 13 ARG H 1.700 . 2.000 2.045 1.870 2.190 0.190 12 0 "[ . 1 . 2]" 2
81 1 10 ASP O 1 14 LEU N 2.700 2.200 3.000 2.901 2.702 3.011 0.011 10 0 "[ . 1 . 2]" 2
82 1 10 ASP O 1 14 LEU H 1.700 . 2.000 2.054 1.984 2.134 0.134 10 0 "[ . 1 . 2]" 2
83 1 11 MET O 1 15 LEU N 2.700 2.200 3.000 2.865 2.726 3.018 0.018 15 0 "[ . 1 . 2]" 2
84 1 11 MET O 1 15 LEU H 1.700 . 2.000 1.948 1.780 2.059 0.059 15 0 "[ . 1 . 2]" 2
85 1 12 ALA O 1 16 GLU N 2.700 2.200 3.000 2.639 2.384 3.002 0.002 15 0 "[ . 1 . 2]" 2
86 1 12 ALA O 1 16 GLU H 1.700 . 2.000 2.044 1.853 2.213 0.213 4 0 "[ . 1 . 2]" 2
87 1 16 GLU O 1 20 LYS N 2.700 2.200 3.000 2.843 2.694 3.007 0.007 6 0 "[ . 1 . 2]" 2
88 1 16 GLU O 1 20 LYS H 1.700 . 2.000 1.906 1.798 2.034 0.034 20 0 "[ . 1 . 2]" 2
89 1 17 GLN O 1 21 ASP N 2.700 2.200 3.000 2.916 2.769 3.081 0.081 8 0 "[ . 1 . 2]" 2
90 1 17 GLN O 1 21 ASP H 1.700 . 2.000 1.988 1.827 2.104 0.104 8 0 "[ . 1 . 2]" 2
91 1 18 TRP O 1 22 ASP N 2.700 2.200 3.000 2.917 2.767 3.013 0.013 9 0 "[ . 1 . 2]" 2
92 1 18 TRP O 1 22 ASP H 1.700 . 2.000 1.988 1.837 2.060 0.060 14 0 "[ . 1 . 2]" 2
93 1 19 GLU O 1 23 ASP N 2.700 2.200 3.000 2.876 2.604 3.044 0.044 2 0 "[ . 1 . 2]" 2
94 1 19 GLU O 1 23 ASP H 1.700 . 2.000 2.016 1.865 2.142 0.142 11 0 "[ . 1 . 2]" 2
95 1 20 LYS O 1 24 ILE N 2.700 2.200 3.000 2.872 2.714 3.007 0.007 13 0 "[ . 1 . 2]" 2
96 1 20 LYS O 1 24 ILE H 1.700 . 2.000 1.977 1.838 2.050 0.050 13 0 "[ . 1 . 2]" 2
97 1 21 ASP O 1 25 GLU N 2.700 2.200 3.000 2.858 2.689 3.060 0.060 18 0 "[ . 1 . 2]" 2
98 1 21 ASP O 1 25 GLU H 1.700 . 2.000 1.978 1.786 2.096 0.096 18 0 "[ . 1 . 2]" 2
99 1 22 ASP O 1 26 GLU N 2.700 2.200 3.000 2.764 2.613 2.945 . 0 0 "[ . 1 . 2]" 2
100 1 22 ASP O 1 26 GLU H 1.700 . 2.000 1.947 1.794 2.111 0.111 9 0 "[ . 1 . 2]" 2
101 1 39 ILE O 1 43 LYS N 2.700 2.200 3.000 2.813 2.688 2.912 . 0 0 "[ . 1 . 2]" 2
102 1 39 ILE O 1 43 LYS H 1.700 . 2.000 1.962 1.821 2.062 0.062 6 0 "[ . 1 . 2]" 2
103 1 40 ASP O 1 44 LEU N 2.700 2.200 3.000 2.912 2.770 3.014 0.014 15 0 "[ . 1 . 2]" 2
104 1 40 ASP O 1 44 LEU H 1.700 . 2.000 1.963 1.865 2.067 0.067 5 0 "[ . 1 . 2]" 2
105 1 41 PHE O 1 45 ASP N 2.700 2.200 3.000 2.763 2.607 2.872 . 0 0 "[ . 1 . 2]" 2
106 1 41 PHE O 1 45 ASP H 1.700 . 2.000 2.011 1.884 2.089 0.089 2 0 "[ . 1 . 2]" 2
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