NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | program | type | subtype | subsubtype |
|
|
369444 |
1bbn   |
4094 | cing | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bbn
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 583
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 1.941
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0177
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0539
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.000 0.000 . 0 "[ ]"
1 4 ALA 0.000 0.000 . 0 "[ ]"
1 5 HIS 0.004 0.004 1 0 "[ ]"
1 6 LYS 0.000 0.000 . 0 "[ ]"
1 7 CYS 0.004 0.004 1 0 "[ ]"
1 8 ASP 0.079 0.079 1 0 "[ ]"
1 9 ILE 0.079 0.079 1 0 "[ ]"
1 10 THR 0.028 0.028 1 0 "[ ]"
1 11 LEU 0.028 0.028 1 0 "[ ]"
1 12 GLN 0.008 0.008 1 0 "[ ]"
1 13 GLU 0.008 0.008 1 0 "[ ]"
1 14 ILE 0.000 0.000 . 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 LYS 0.014 0.014 1 0 "[ ]"
1 17 THR 0.014 0.014 1 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 19 ASN 0.000 0.000 . 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 LEU 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 GLU 0.077 0.077 1 0 "[ ]"
1 24 GLN 0.163 0.086 1 0 "[ ]"
1 25 LYS 0.086 0.086 1 0 "[ ]"
1 26 THR 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.018 0.018 1 0 "[ ]"
1 28 CYS 0.018 0.018 1 0 "[ ]"
1 29 THR 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.202 0.202 1 0 "[ ]"
1 32 THR 0.202 0.202 1 0 "[ ]"
1 33 VAL 0.000 0.000 . 0 "[ ]"
1 34 THR 0.000 0.000 . 0 "[ ]"
1 35 ASP 0.000 0.000 . 0 "[ ]"
1 36 ILE 0.000 0.000 . 0 "[ ]"
1 37 PHE 0.000 0.000 . 0 "[ ]"
1 38 ALA 0.015 0.015 1 0 "[ ]"
1 39 ALA 0.015 0.015 1 0 "[ ]"
1 40 SER 0.000 0.000 . 0 "[ ]"
1 41 LYS 0.000 0.000 . 0 "[ ]"
1 42 ASP 0.000 0.000 . 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 44 THR 0.151 0.151 1 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.000 0.000 . 0 "[ ]"
1 48 THR 0.151 0.151 1 0 "[ ]"
1 49 PHE 0.000 0.000 . 0 "[ ]"
1 50 CYS 0.000 0.000 . 0 "[ ]"
1 51 ARG 0.000 0.000 . 0 "[ ]"
1 52 ALA 0.000 0.000 . 0 "[ ]"
1 53 ALA 0.000 0.000 . 0 "[ ]"
1 54 THR 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.000 0.000 . 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 57 ARG 0.000 0.000 . 0 "[ ]"
1 58 GLN 0.005 0.005 1 0 "[ ]"
1 59 PHE 0.005 0.005 1 0 "[ ]"
1 60 TYR 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 62 HIS 0.000 0.000 . 0 "[ ]"
1 63 HIS 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 66 ASP 0.000 0.000 . 0 "[ ]"
1 67 THR 0.071 0.051 1 0 "[ ]"
1 68 ARG 0.000 0.000 . 0 "[ ]"
1 69 CYS 0.060 0.051 1 0 "[ ]"
1 70 LEU 0.029 0.020 1 0 "[ ]"
1 71 GLY 0.000 0.000 . 0 "[ ]"
1 72 ALA 0.000 0.000 . 0 "[ ]"
1 73 THR 0.000 0.000 . 0 "[ ]"
1 74 ALA 0.000 0.000 . 0 "[ ]"
1 75 GLN 0.000 0.000 . 0 "[ ]"
1 76 GLN 0.000 0.000 . 0 "[ ]"
1 77 PHE 0.000 0.000 . 0 "[ ]"
1 78 HIS 0.036 0.036 1 0 "[ ]"
1 79 ARG 0.036 0.036 1 0 "[ ]"
1 80 HIS 0.000 0.000 . 0 "[ ]"
1 81 LYS 0.032 0.032 1 0 "[ ]"
1 82 GLN 0.032 0.032 1 0 "[ ]"
1 83 LEU 0.000 0.000 . 0 "[ ]"
1 84 ILE 0.026 0.026 1 0 "[ ]"
1 85 ARG 0.098 0.072 1 0 "[ ]"
1 86 PHE 0.072 0.072 1 0 "[ ]"
1 87 LEU 0.000 0.000 . 0 "[ ]"
1 88 LYS 0.000 0.000 . 0 "[ ]"
1 89 ARG 0.058 0.058 1 0 "[ ]"
1 90 LEU 0.058 0.058 1 0 "[ ]"
1 91 ASP 0.000 0.000 . 0 "[ ]"
1 92 ARG 0.023 0.023 1 0 "[ ]"
1 93 ASN 0.023 0.023 1 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 TRP 0.000 0.000 . 0 "[ ]"
1 96 GLY 0.000 0.000 . 0 "[ ]"
1 97 LEU 0.000 0.000 . 0 "[ ]"
1 98 ALA 0.058 0.058 1 0 "[ ]"
1 99 GLY 0.058 0.058 1 0 "[ ]"
1 100 LEU 0.000 0.000 . 0 "[ ]"
1 101 ASN 0.000 0.000 . 0 "[ ]"
1 102 SER 0.000 0.000 . 0 "[ ]"
1 103 CYS 0.023 0.023 1 0 "[ ]"
1 104 PRO 0.000 0.000 . 0 "[ ]"
1 105 VAL 0.023 0.023 1 0 "[ ]"
1 106 LYS 0.000 0.000 . 0 "[ ]"
1 107 GLU 0.064 0.064 1 0 "[ ]"
1 108 ALA 0.000 0.000 . 0 "[ ]"
1 109 ASP 0.113 0.064 1 0 "[ ]"
1 110 GLN 0.000 0.000 . 0 "[ ]"
1 111 SER 0.049 0.049 1 0 "[ ]"
1 112 THR 0.000 0.000 . 0 "[ ]"
1 113 LEU 0.000 0.000 . 0 "[ ]"
1 114 GLU 0.068 0.068 1 0 "[ ]"
1 115 ASN 0.068 0.068 1 0 "[ ]"
1 116 PHE 0.000 0.000 . 0 "[ ]"
1 117 LEU 0.000 0.000 . 0 "[ ]"
1 118 GLU 0.063 0.063 1 0 "[ ]"
1 119 ARG 0.258 0.194 1 0 "[ ]"
1 120 LEU 0.000 0.000 . 0 "[ ]"
1 121 LYS 0.017 0.017 1 0 "[ ]"
1 122 THR 0.385 0.194 1 0 "[ ]"
1 123 ILE 0.238 0.135 1 0 "[ ]"
1 124 MET 0.124 0.065 1 0 "[ ]"
1 125 ARG 0.138 0.061 1 0 "[ ]"
1 126 GLU 0.078 0.061 1 0 "[ ]"
1 127 LYS 0.000 0.000 . 0 "[ ]"
1 128 TYR 0.000 0.000 . 0 "[ ]"
1 129 SER 0.000 0.000 . 0 "[ ]"
1 130 LYS 0.000 0.000 . 0 "[ ]"
1 131 CYS 0.014 0.014 1 0 "[ ]"
1 132 SER 0.014 0.014 1 0 "[ ]"
1 133 SER 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU QB 1 4 ALA H 4.000 . 6.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
2 1 4 ALA HA 1 5 HIS H 3.000 . 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
3 1 6 LYS QB 1 7 CYS H 3.000 . 4.300 3.728 3.728 3.728 . 0 0 "[ ]" 1
4 1 6 LYS HA 1 7 CYS H 2.500 . 2.700 2.212 2.212 2.212 . 0 0 "[ ]" 1
5 1 7 CYS H 1 8 ASP H 3.000 . 3.500 1.840 1.840 1.840 . 0 0 "[ ]" 1
6 1 8 ASP QB 1 9 ILE H 2.500 . 3.700 2.460 2.460 2.460 . 0 0 "[ ]" 1
7 1 8 ASP HA 1 9 ILE H 3.000 . 3.500 3.579 3.579 3.579 0.079 1 0 "[ ]" 1
8 1 9 ILE HB 1 10 THR H 3.000 . 3.500 2.164 2.164 2.164 . 0 0 "[ ]" 1
9 1 9 ILE MG 1 10 THR HA 4.000 . 5.800 3.014 3.014 3.014 . 0 0 "[ ]" 1
10 1 9 ILE H 1 10 THR H 3.000 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
11 1 10 THR HB 1 11 LEU H 2.500 . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1
12 1 10 THR H 1 11 LEU H 3.000 . 3.300 2.847 2.847 2.847 . 0 0 "[ ]" 1
13 1 11 LEU QB 1 12 GLN H 3.000 . 4.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
14 1 11 LEU HA 1 12 GLN H 4.000 . 5.000 3.614 3.614 3.614 . 0 0 "[ ]" 1
15 1 11 LEU H 1 12 GLN H 2.500 . 2.900 2.646 2.646 2.646 . 0 0 "[ ]" 1
16 1 12 GLN QB 1 13 GLU H 3.000 . 4.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
17 1 12 GLN HA 1 13 GLU H 3.000 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
18 1 12 GLN H 1 13 GLU H 2.500 . 2.900 2.670 2.670 2.670 . 0 0 "[ ]" 1
19 1 13 GLU QB 1 14 ILE H 2.500 . 3.700 2.723 2.723 2.723 . 0 0 "[ ]" 1
20 1 13 GLU H 1 14 ILE H 2.500 . 2.900 2.430 2.430 2.430 . 0 0 "[ ]" 1
21 1 14 ILE HB 1 15 ILE H 3.000 . 3.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
22 1 14 ILE H 1 15 ILE H 2.500 . 2.900 2.593 2.593 2.593 . 0 0 "[ ]" 1
23 1 15 ILE HB 1 16 LYS H 2.500 . 2.700 2.537 2.537 2.537 . 0 0 "[ ]" 1
24 1 15 ILE HA 1 16 LYS H 4.000 . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
25 1 15 ILE H 1 16 LYS H 3.000 . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
26 1 16 LYS QB 1 17 THR H 2.500 . 3.700 2.828 2.828 2.828 . 0 0 "[ ]" 1
27 1 16 LYS HA 1 17 THR H 3.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1
28 1 16 LYS H 1 17 THR H 2.500 . 2.900 2.651 2.651 2.651 . 0 0 "[ ]" 1
29 1 17 THR HB 1 18 LEU H 2.500 . 2.700 2.620 2.620 2.620 . 0 0 "[ ]" 1
30 1 17 THR H 1 18 LEU H 2.500 . 2.900 2.512 2.512 2.512 . 0 0 "[ ]" 1
31 1 18 LEU QB 1 19 ASN H 2.500 . 3.700 2.766 2.766 2.766 . 0 0 "[ ]" 1
32 1 18 LEU H 1 19 ASN H 3.000 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
33 1 19 ASN QB 1 20 SER H 2.500 . 3.700 2.912 2.912 2.912 . 0 0 "[ ]" 1
34 1 19 ASN H 1 20 SER H 3.000 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
35 1 20 SER QB 1 21 LEU H 3.000 . 4.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
36 1 20 SER HA 1 21 LEU H 4.000 . 5.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
37 1 20 SER H 1 21 LEU H 2.500 . 2.900 2.668 2.668 2.668 . 0 0 "[ ]" 1
38 1 21 LEU QB 1 22 THR H 3.000 . 4.500 3.107 3.107 3.107 . 0 0 "[ ]" 1
39 1 21 LEU HA 1 22 THR H 3.000 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
40 1 21 LEU H 1 22 THR H 3.000 . 3.500 2.595 2.595 2.595 . 0 0 "[ ]" 1
41 1 22 THR HB 1 23 GLU H 4.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
42 1 22 THR HA 1 23 GLU H 3.000 . 3.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
43 1 22 THR H 1 23 GLU H 3.000 . 3.500 2.638 2.638 2.638 . 0 0 "[ ]" 1
44 1 23 GLU HA 1 24 GLN H 3.000 . 3.500 3.577 3.577 3.577 0.077 1 0 "[ ]" 1
45 1 23 GLU H 1 24 GLN H 4.000 . 5.000 2.763 2.763 2.763 . 0 0 "[ ]" 1
46 1 24 GLN QB 1 25 LYS H 3.000 . 4.300 3.967 3.967 3.967 . 0 0 "[ ]" 1
47 1 24 GLN HA 1 25 LYS H 2.500 . 2.700 2.451 2.451 2.451 . 0 0 "[ ]" 1
48 1 24 GLN H 1 25 LYS H 3.000 . 3.500 3.586 3.586 3.586 0.086 1 0 "[ ]" 1
49 1 25 LYS QB 1 26 THR H 4.000 . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
50 1 25 LYS HA 1 26 THR H 3.000 . 3.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
51 1 26 THR HA 1 27 LEU H 4.000 . 5.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
52 1 27 LEU HA 1 28 CYS H 3.000 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
53 1 28 CYS QB 1 29 THR H 4.000 . 6.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
54 1 28 CYS H 1 29 THR H 3.000 . 3.500 2.287 2.287 2.287 . 0 0 "[ ]" 1
55 1 29 THR MG 1 30 GLU QG 4.000 . 7.500 5.317 5.317 5.317 . 0 0 "[ ]" 1
56 1 31 LEU QB 1 32 THR H 3.000 . 4.500 3.707 3.707 3.707 . 0 0 "[ ]" 1
57 1 31 LEU H 1 32 THR H 3.000 . 3.500 3.702 3.702 3.702 0.202 1 0 "[ ]" 1
58 1 31 LEU HA 1 32 THR MG 4.000 . 6.500 4.298 4.298 4.298 . 0 0 "[ ]" 1
59 1 32 THR HB 1 33 VAL H 4.000 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
60 1 32 THR HA 1 33 VAL H 3.000 . 3.500 2.175 2.175 2.175 . 0 0 "[ ]" 1
61 1 32 THR H 1 33 VAL H 4.000 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
62 1 32 THR HA 1 33 VAL QG 4.000 . 7.400 3.320 3.320 3.320 . 0 0 "[ ]" 1
63 1 33 VAL HB 1 34 THR H 4.000 . 5.000 1.929 1.929 1.929 . 0 0 "[ ]" 1
64 1 34 THR HB 1 35 ASP H 4.000 . 5.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
65 1 34 THR HA 1 35 ASP H 2.500 . 2.700 2.247 2.247 2.247 . 0 0 "[ ]" 1
66 1 34 THR H 1 35 ASP H 4.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
67 1 36 ILE H 1 37 PHE H 3.000 . 3.500 2.639 2.639 2.639 . 0 0 "[ ]" 1
68 1 36 ILE QG 1 37 PHE HA 4.000 . 6.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
69 1 36 ILE MD 1 37 PHE HA 4.000 . 6.500 5.205 5.205 5.205 . 0 0 "[ ]" 1
70 1 36 ILE MD 1 37 PHE QE 3.000 . 6.800 3.324 3.324 3.324 . 0 0 "[ ]" 1
71 1 36 ILE QG 1 37 PHE QE 3.000 . 6.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
72 1 36 ILE MG 1 37 PHE QE 4.000 . 8.500 4.492 4.492 4.492 . 0 0 "[ ]" 1
73 1 36 ILE MG 1 37 PHE QD 3.000 . 6.800 4.654 4.654 4.654 . 0 0 "[ ]" 1
74 1 36 ILE QG 1 37 PHE QD 3.000 . 6.300 3.092 3.092 3.092 . 0 0 "[ ]" 1
75 1 36 ILE MD 1 37 PHE HZ 3.000 . 4.800 3.215 3.215 3.215 . 0 0 "[ ]" 1
76 1 36 ILE QG 1 37 PHE HZ 3.000 . 4.300 3.418 3.418 3.418 . 0 0 "[ ]" 1
77 1 36 ILE MG 1 37 PHE HZ 4.000 . 6.500 5.292 5.292 5.292 . 0 0 "[ ]" 1
78 1 37 PHE QB 1 38 ALA H 3.000 . 4.500 3.759 3.759 3.759 . 0 0 "[ ]" 1
79 1 37 PHE HA 1 38 ALA H 3.000 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
80 1 37 PHE H 1 38 ALA H 2.500 . 2.900 2.515 2.515 2.515 . 0 0 "[ ]" 1
81 1 38 ALA HA 1 39 ALA H 3.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
82 1 38 ALA H 1 39 ALA H 3.000 . 3.500 2.215 2.215 2.215 . 0 0 "[ ]" 1
83 1 39 ALA MB 1 40 SER H 3.000 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
84 1 39 ALA HA 1 40 SER H 2.500 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1
85 1 40 SER H 1 41 LYS H 4.000 . 5.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
86 1 41 LYS QB 1 42 ASP H 3.000 . 4.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
87 1 42 ASP QB 1 43 THR H 4.000 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
88 1 42 ASP H 1 43 THR H 2.500 . 2.900 2.649 2.649 2.649 . 0 0 "[ ]" 1
89 1 43 THR HB 1 44 THR H 3.000 . 3.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
90 1 44 THR HA 1 45 GLU H 3.000 . 3.500 2.776 2.776 2.776 . 0 0 "[ ]" 1
91 1 44 THR H 1 45 GLU H 4.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
92 1 46 LYS H 1 47 GLU H 3.000 . 3.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
93 1 47 GLU QB 1 48 THR H 2.500 . 3.700 2.764 2.764 2.764 . 0 0 "[ ]" 1
94 1 47 GLU HA 1 48 THR H 4.000 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
95 1 47 GLU H 1 48 THR H 3.000 . 3.500 2.644 2.644 2.644 . 0 0 "[ ]" 1
96 1 48 THR HA 1 49 PHE H 3.000 . 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
97 1 48 THR H 1 49 PHE H 3.000 . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 1
98 1 48 THR HB 1 49 PHE QD 4.000 . 7.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
99 1 48 THR MG 1 49 PHE QD 4.000 . 8.500 4.085 4.085 4.085 . 0 0 "[ ]" 1
100 1 49 PHE QB 1 50 CYS H 3.000 . 4.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
101 1 49 PHE HA 1 50 CYS H 4.000 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
102 1 49 PHE H 1 50 CYS H 3.000 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
103 1 50 CYS QB 1 51 ARG H 3.000 . 4.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
104 1 50 CYS H 1 51 ARG H 2.500 . 2.900 2.519 2.519 2.519 . 0 0 "[ ]" 1
105 1 51 ARG QB 1 52 ALA H 3.000 . 4.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
106 1 51 ARG H 1 52 ALA H 2.500 . 2.900 2.682 2.682 2.682 . 0 0 "[ ]" 1
107 1 52 ALA MB 1 53 ALA H 3.000 . 5.000 3.029 3.029 3.029 . 0 0 "[ ]" 1
108 1 52 ALA HA 1 53 ALA H 3.000 . 3.500 3.444 3.444 3.444 . 0 0 "[ ]" 1
109 1 52 ALA H 1 53 ALA H 2.500 . 2.900 2.654 2.654 2.654 . 0 0 "[ ]" 1
110 1 53 ALA HA 1 54 THR H 4.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
111 1 53 ALA H 1 54 THR H 3.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
112 1 54 THR H 1 55 VAL H 2.500 . 2.900 2.564 2.564 2.564 . 0 0 "[ ]" 1
113 1 54 THR MG 1 55 VAL HA 3.000 . 4.800 3.141 3.141 3.141 . 0 0 "[ ]" 1
114 1 55 VAL HB 1 56 LEU H 3.000 . 3.500 2.719 2.719 2.719 . 0 0 "[ ]" 1
115 1 55 VAL HA 1 56 LEU H 4.000 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
116 1 55 VAL H 1 56 LEU H 3.000 . 3.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
117 1 57 ARG H 1 58 GLN H 3.000 . 3.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
118 1 58 GLN QB 1 59 PHE H 2.500 . 3.700 2.961 2.961 2.961 . 0 0 "[ ]" 1
119 1 58 GLN HA 1 59 PHE H 3.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
120 1 58 GLN H 1 59 PHE H 3.000 . 3.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
121 1 59 PHE QB 1 60 TYR H 3.000 . 4.500 2.544 2.544 2.544 . 0 0 "[ ]" 1
122 1 59 PHE H 1 60 TYR H 3.000 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
123 1 59 PHE QD 1 60 TYR QB 4.000 . 8.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
124 1 60 TYR QB 1 61 SER H 3.000 . 4.500 3.670 3.670 3.670 . 0 0 "[ ]" 1
125 1 60 TYR HA 1 61 SER H 4.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
126 1 60 TYR H 1 61 SER H 3.000 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
127 1 60 TYR QD 1 61 SER HA 3.000 . 5.300 3.967 3.967 3.967 . 0 0 "[ ]" 1
128 1 61 SER QB 1 62 HIS H 3.000 . 4.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
129 1 61 SER H 1 62 HIS H 2.500 . 2.900 2.423 2.423 2.423 . 0 0 "[ ]" 1
130 1 62 HIS QB 1 63 HIS H 3.000 . 4.500 2.388 2.388 2.388 . 0 0 "[ ]" 1
131 1 62 HIS H 1 63 HIS H 2.500 . 2.900 2.644 2.644 2.644 . 0 0 "[ ]" 1
132 1 63 HIS QB 1 64 GLU H 3.000 . 4.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
133 1 63 HIS HA 1 64 GLU H 4.000 . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
134 1 63 HIS H 1 64 GLU H 3.000 . 3.500 2.745 2.745 2.745 . 0 0 "[ ]" 1
135 1 67 THR HA 1 68 ARG H 3.000 . 3.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
136 1 68 ARG QB 1 69 CYS H 4.000 . 6.000 2.258 2.258 2.258 . 0 0 "[ ]" 1
137 1 68 ARG HA 1 69 CYS H 4.000 . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
138 1 68 ARG H 1 69 CYS H 3.000 . 3.500 3.101 3.101 3.101 . 0 0 "[ ]" 1
139 1 69 CYS QB 1 70 LEU H 3.000 . 4.500 2.881 2.881 2.881 . 0 0 "[ ]" 1
140 1 69 CYS HA 1 70 LEU H 3.000 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
141 1 69 CYS H 1 70 LEU H 3.000 . 3.500 2.610 2.610 2.610 . 0 0 "[ ]" 1
142 1 70 LEU QB 1 71 GLY H 4.000 . 6.000 2.147 2.147 2.147 . 0 0 "[ ]" 1
143 1 70 LEU H 1 71 GLY H 3.000 . 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 1
144 1 71 GLY QA 1 72 ALA H 2.500 . 3.700 2.158 2.158 2.158 . 0 0 "[ ]" 1
145 1 71 GLY H 1 72 ALA H 4.000 . 5.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
146 1 72 ALA MB 1 73 THR H 3.000 . 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
147 1 72 ALA H 1 73 THR H 2.500 . 2.900 2.135 2.135 2.135 . 0 0 "[ ]" 1
148 1 75 GLN QB 1 76 GLN H 2.500 . 3.700 2.467 2.467 2.467 . 0 0 "[ ]" 1
149 1 76 GLN QB 1 77 PHE H 3.000 . 4.500 3.176 3.176 3.176 . 0 0 "[ ]" 1
150 1 76 GLN HA 1 77 PHE H 3.000 . 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 1
151 1 76 GLN H 1 77 PHE H 2.500 . 2.900 2.716 2.716 2.716 . 0 0 "[ ]" 1
152 1 77 PHE QB 1 78 HIS H 3.000 . 4.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
153 1 77 PHE HA 1 78 HIS H 4.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
154 1 78 HIS QB 1 79 ARG H 3.000 . 4.500 2.606 2.606 2.606 . 0 0 "[ ]" 1
155 1 78 HIS HA 1 79 ARG H 3.000 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1
156 1 78 HIS H 1 79 ARG H 3.000 . 3.500 2.579 2.579 2.579 . 0 0 "[ ]" 1
157 1 79 ARG QB 1 80 HIS H 3.000 . 4.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
158 1 79 ARG HA 1 80 HIS H 4.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
159 1 79 ARG H 1 80 HIS H 4.000 . 5.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
160 1 80 HIS QB 1 81 LYS H 3.000 . 4.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
161 1 80 HIS H 1 81 LYS H 2.500 . 2.900 2.699 2.699 2.699 . 0 0 "[ ]" 1
162 1 81 LYS QB 1 82 GLN H 2.500 . 3.700 2.706 2.706 2.706 . 0 0 "[ ]" 1
163 1 81 LYS HA 1 82 GLN H 3.000 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
164 1 81 LYS H 1 82 GLN H 2.500 . 2.900 2.705 2.705 2.705 . 0 0 "[ ]" 1
165 1 82 GLN QB 1 83 LEU H 3.000 . 4.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
166 1 82 GLN HA 1 83 LEU H 4.000 . 5.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
167 1 83 LEU QB 1 84 ILE H 3.000 . 4.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
168 1 83 LEU H 1 84 ILE H 2.500 . 2.900 2.623 2.623 2.623 . 0 0 "[ ]" 1
169 1 84 ILE HB 1 85 ARG H 2.500 . 2.700 2.726 2.726 2.726 0.026 1 0 "[ ]" 1
170 1 84 ILE HA 1 85 ARG H 4.000 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
171 1 84 ILE H 1 85 ARG H 2.500 . 2.900 2.694 2.694 2.694 . 0 0 "[ ]" 1
172 1 85 ARG QB 1 86 PHE H 2.500 . 3.700 2.441 2.441 2.441 . 0 0 "[ ]" 1
173 1 85 ARG HA 1 86 PHE H 3.000 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
174 1 85 ARG H 1 86 PHE H 3.000 . 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 1
175 1 86 PHE QB 1 87 LEU H 4.000 . 6.000 2.857 2.857 2.857 . 0 0 "[ ]" 1
176 1 86 PHE HA 1 87 LEU H 4.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
177 1 86 PHE H 1 87 LEU H 2.500 . 2.900 2.753 2.753 2.753 . 0 0 "[ ]" 1
178 1 87 LEU QB 1 88 LYS H 3.000 . 4.500 2.453 2.453 2.453 . 0 0 "[ ]" 1
179 1 87 LEU HA 1 88 LYS H 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
180 1 87 LEU H 1 88 LYS H 2.500 . 2.900 2.745 2.745 2.745 . 0 0 "[ ]" 1
181 1 87 LEU QD 1 88 LYS HG3 3.000 . 6.700 4.508 4.508 4.508 . 0 0 "[ ]" 1
182 1 87 LEU QD 1 88 LYS HG2 3.000 . 6.700 4.972 4.972 4.972 . 0 0 "[ ]" 1
183 1 88 LYS QB 1 89 ARG H 3.000 . 4.500 2.530 2.530 2.530 . 0 0 "[ ]" 1
184 1 88 LYS HA 1 89 ARG H 4.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
185 1 88 LYS H 1 89 ARG H 2.500 . 2.900 2.854 2.854 2.854 . 0 0 "[ ]" 1
186 1 89 ARG QB 1 90 LEU H 2.500 . 3.700 2.507 2.507 2.507 . 0 0 "[ ]" 1
187 1 89 ARG HA 1 90 LEU H 3.000 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
188 1 89 ARG H 1 90 LEU H 2.500 . 2.900 2.700 2.700 2.700 . 0 0 "[ ]" 1
189 1 90 LEU QB 1 91 ASP H 2.500 . 3.700 3.215 3.215 3.215 . 0 0 "[ ]" 1
190 1 90 LEU HA 1 91 ASP H 3.000 . 3.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
191 1 90 LEU H 1 91 ASP H 3.000 . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
192 1 91 ASP QB 1 92 ARG H 2.500 . 3.700 2.739 2.739 2.739 . 0 0 "[ ]" 1
193 1 91 ASP H 1 92 ARG H 2.500 . 2.900 2.342 2.342 2.342 . 0 0 "[ ]" 1
194 1 92 ARG QB 1 93 ASN H 2.500 . 3.700 2.726 2.726 2.726 . 0 0 "[ ]" 1
195 1 92 ARG HA 1 93 ASN H 3.000 . 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
196 1 92 ARG H 1 93 ASN H 3.000 . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
197 1 93 ASN QB 1 94 LEU H 4.000 . 6.000 2.478 2.478 2.478 . 0 0 "[ ]" 1
198 1 93 ASN HA 1 94 LEU H 4.000 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
199 1 93 ASN H 1 94 LEU H 2.500 . 2.900 2.550 2.550 2.550 . 0 0 "[ ]" 1
200 1 94 LEU HA 1 95 TRP H 4.000 . 5.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
201 1 94 LEU H 1 95 TRP H 3.000 . 3.500 3.105 3.105 3.105 . 0 0 "[ ]" 1
202 1 95 TRP QB 1 96 GLY H 2.500 . 3.700 3.551 3.551 3.551 . 0 0 "[ ]" 1
203 1 95 TRP HA 1 96 GLY H 4.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
204 1 95 TRP H 1 96 GLY H 2.500 . 2.900 2.337 2.337 2.337 . 0 0 "[ ]" 1
205 1 96 GLY QA 1 97 LEU H 3.000 . 4.500 2.797 2.797 2.797 . 0 0 "[ ]" 1
206 1 96 GLY H 1 97 LEU H 2.500 . 2.900 2.743 2.743 2.743 . 0 0 "[ ]" 1
207 1 97 LEU H 1 98 ALA H 2.500 . 2.900 2.424 2.424 2.424 . 0 0 "[ ]" 1
208 1 98 ALA MB 1 99 GLY H 2.500 . 4.200 2.504 2.504 2.504 . 0 0 "[ ]" 1
209 1 98 ALA HA 1 99 GLY H 3.000 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
210 1 98 ALA H 1 99 GLY H 2.500 . 2.900 2.837 2.837 2.837 . 0 0 "[ ]" 1
211 1 99 GLY QA 1 100 LEU H 2.500 . 3.700 2.648 2.648 2.648 . 0 0 "[ ]" 1
212 1 99 GLY H 1 100 LEU H 2.500 . 2.900 2.676 2.676 2.676 . 0 0 "[ ]" 1
213 1 101 ASN QB 1 102 SER H 4.000 . 6.000 1.928 1.928 1.928 . 0 0 "[ ]" 1
214 1 102 SER QB 1 103 CYS HA 4.000 . 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
215 1 103 CYS HA 1 104 PRO QD 2.500 . 3.700 1.951 1.951 1.951 . 0 0 "[ ]" 1
216 1 103 CYS HA 1 104 PRO QG 4.000 . 6.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
217 1 104 PRO QB 1 105 VAL H 3.000 . 4.500 3.867 3.867 3.867 . 0 0 "[ ]" 1
218 1 104 PRO HA 1 105 VAL H 3.000 . 3.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
219 1 105 VAL HA 1 106 LYS H 2.500 . 2.700 2.259 2.259 2.259 . 0 0 "[ ]" 1
220 1 106 LYS QB 1 107 GLU H 3.000 . 4.500 2.828 2.828 2.828 . 0 0 "[ ]" 1
221 1 107 GLU QB 1 108 ALA H 3.000 . 4.500 3.849 3.849 3.849 . 0 0 "[ ]" 1
222 1 108 ALA MB 1 109 ASP H 2.500 . 4.200 2.936 2.936 2.936 . 0 0 "[ ]" 1
223 1 108 ALA HA 1 109 ASP H 2.500 . 2.700 2.225 2.225 2.225 . 0 0 "[ ]" 1
224 1 109 ASP QB 1 110 GLN H 4.000 . 6.000 1.990 1.990 1.990 . 0 0 "[ ]" 1
225 1 109 ASP H 1 110 GLN H 4.000 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
226 1 110 GLN QB 1 111 SER H 3.000 . 4.500 3.870 3.870 3.870 . 0 0 "[ ]" 1
227 1 110 GLN H 1 111 SER H 4.000 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
228 1 111 SER HA 1 112 THR H 2.500 . 2.700 2.637 2.637 2.637 . 0 0 "[ ]" 1
229 1 111 SER H 1 112 THR H 4.000 . 5.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
230 1 111 SER HA 1 112 THR MG 4.000 . 6.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
231 1 112 THR HA 1 113 LEU H 2.500 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1
232 1 113 LEU QB 1 114 GLU H 4.000 . 6.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
233 1 113 LEU H 1 114 GLU H 3.000 . 3.500 2.757 2.757 2.757 . 0 0 "[ ]" 1
234 1 114 GLU QB 1 115 ASN H 3.000 . 4.500 2.484 2.484 2.484 . 0 0 "[ ]" 1
235 1 114 GLU HA 1 115 ASN H 3.000 . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
236 1 114 GLU H 1 115 ASN H 3.000 . 3.500 2.735 2.735 2.735 . 0 0 "[ ]" 1
237 1 115 ASN QB 1 116 PHE H 3.000 . 4.500 3.053 3.053 3.053 . 0 0 "[ ]" 1
238 1 115 ASN H 1 116 PHE H 2.500 . 2.900 2.542 2.542 2.542 . 0 0 "[ ]" 1
239 1 116 PHE QB 1 117 LEU H 3.000 . 4.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
240 1 116 PHE HA 1 117 LEU H 4.000 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
241 1 116 PHE H 1 117 LEU H 3.000 . 3.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
242 1 117 LEU H 1 118 GLU H 3.000 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
243 1 118 GLU HA 1 119 ARG H 3.000 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
244 1 119 ARG QB 1 120 LEU H 2.500 . 3.700 3.042 3.042 3.042 . 0 0 "[ ]" 1
245 1 119 ARG HA 1 120 LEU H 3.000 . 3.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
246 1 119 ARG H 1 120 LEU H 2.500 . 2.900 2.618 2.618 2.618 . 0 0 "[ ]" 1
247 1 120 LEU QB 1 121 LYS H 3.000 . 4.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
248 1 120 LEU HA 1 121 LYS H 4.000 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
249 1 120 LEU H 1 121 LYS H 2.500 . 2.900 2.524 2.524 2.524 . 0 0 "[ ]" 1
250 1 121 LYS QB 1 122 THR H 2.500 . 3.700 2.530 2.530 2.530 . 0 0 "[ ]" 1
251 1 121 LYS HA 1 122 THR H 3.000 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
252 1 121 LYS H 1 122 THR H 2.500 . 2.900 2.488 2.488 2.488 . 0 0 "[ ]" 1
253 1 121 LYS QB 1 122 THR MG 3.000 . 5.800 4.081 4.081 4.081 . 0 0 "[ ]" 1
254 1 121 LYS QE 1 122 THR MG 3.000 . 5.800 3.803 3.803 3.803 . 0 0 "[ ]" 1
255 1 122 THR HB 1 123 ILE H 2.500 . 2.700 2.835 2.835 2.835 0.135 1 0 "[ ]" 1
256 1 122 THR HA 1 123 ILE H 3.000 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1
257 1 122 THR H 1 123 ILE H 2.500 . 2.900 2.717 2.717 2.717 . 0 0 "[ ]" 1
258 1 123 ILE HB 1 124 MET H 2.500 . 2.700 2.582 2.582 2.582 . 0 0 "[ ]" 1
259 1 123 ILE HA 1 124 MET H 3.000 . 3.500 3.565 3.565 3.565 0.065 1 0 "[ ]" 1
260 1 123 ILE H 1 124 MET H 2.500 . 2.900 2.725 2.725 2.725 . 0 0 "[ ]" 1
261 1 123 ILE MG 1 124 MET HA 3.000 . 4.800 3.286 3.286 3.286 . 0 0 "[ ]" 1
262 1 123 ILE MG 1 124 MET QG 4.000 . 7.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
263 1 124 MET QB 1 125 ARG H 3.000 . 4.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
264 1 124 MET HA 1 125 ARG H 3.000 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
265 1 124 MET H 1 125 ARG H 3.000 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
266 1 125 ARG QB 1 126 GLU H 2.500 . 3.700 2.025 2.025 2.025 . 0 0 "[ ]" 1
267 1 125 ARG HA 1 126 GLU H 3.000 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1
268 1 125 ARG H 1 126 GLU H 2.500 . 2.900 2.917 2.917 2.917 0.017 1 0 "[ ]" 1
269 1 126 GLU QB 1 127 LYS H 2.500 . 3.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
270 1 126 GLU H 1 127 LYS H 3.000 . 3.500 3.048 3.048 3.048 . 0 0 "[ ]" 1
271 1 127 LYS HA 1 128 TYR H 4.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
272 1 127 LYS H 1 128 TYR H 2.500 . 2.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
273 1 128 TYR QB 1 129 SER H 3.000 . 4.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
274 1 128 TYR HA 1 129 SER H 3.000 . 3.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
275 1 128 TYR H 1 129 SER H 2.500 . 2.900 2.449 2.449 2.449 . 0 0 "[ ]" 1
276 1 129 SER H 1 130 LYS H 3.000 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
277 1 130 LYS QB 1 131 CYS H 3.000 . 4.500 3.519 3.519 3.519 . 0 0 "[ ]" 1
278 1 130 LYS HA 1 131 CYS H 3.000 . 3.500 3.275 3.275 3.275 . 0 0 "[ ]" 1
279 1 130 LYS H 1 131 CYS H 2.500 . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 1
280 1 131 CYS H 1 132 SER H 2.500 . 2.900 2.914 2.914 2.914 0.014 1 0 "[ ]" 1
281 1 132 SER QB 1 133 SER H 4.000 . 6.000 2.748 2.748 2.748 . 0 0 "[ ]" 1
282 1 132 SER HA 1 133 SER H 2.500 . 2.700 2.399 2.399 2.399 . 0 0 "[ ]" 1
283 1 5 HIS H 1 7 CYS H 4.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
284 1 7 CYS HA 1 10 THR HB 4.000 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
285 1 8 ASP HA 1 11 LEU QB 4.000 . 6.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
286 1 9 ILE HA 1 12 GLN QB 4.000 . 6.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
287 1 9 ILE HA 1 12 GLN H 4.000 . 5.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
288 1 9 ILE H 1 11 LEU H 4.000 . 5.000 3.759 3.759 3.759 . 0 0 "[ ]" 1
289 1 9 ILE HA 1 12 GLN QG 3.000 . 4.300 2.721 2.721 2.721 . 0 0 "[ ]" 1
290 1 10 THR HA 1 13 GLU QB 4.000 . 6.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
291 1 10 THR HA 1 13 GLU H 4.000 . 5.000 4.066 4.066 4.066 . 0 0 "[ ]" 1
292 1 10 THR MG 1 14 ILE HB 3.000 . 4.800 3.791 3.791 3.791 . 0 0 "[ ]" 1
293 1 10 THR MG 1 14 ILE QG 3.000 . 5.800 3.737 3.737 3.737 . 0 0 "[ ]" 1
294 1 10 THR MG 1 14 ILE MD 3.000 . 6.300 2.165 2.165 2.165 . 0 0 "[ ]" 1
295 1 10 THR MG 1 13 GLU QB 4.000 . 7.500 4.207 4.207 4.207 . 0 0 "[ ]" 1
296 1 11 LEU HA 1 14 ILE HB 3.000 . 3.300 1.960 1.960 1.960 . 0 0 "[ ]" 1
297 1 11 LEU HA 1 14 ILE H 4.000 . 5.000 2.987 2.987 2.987 . 0 0 "[ ]" 1
298 1 11 LEU QD 1 15 ILE MD 3.000 . 7.200 3.890 3.890 3.890 . 0 0 "[ ]" 1
299 1 11 LEU HG 1 15 ILE MD 4.000 . 6.500 3.772 3.772 3.772 . 0 0 "[ ]" 1
300 1 11 LEU QB 1 15 ILE MD 4.000 . 7.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
301 1 11 LEU HA 1 14 ILE MD 3.000 . 4.800 2.585 2.585 2.585 . 0 0 "[ ]" 1
302 1 12 GLN HA 1 15 ILE HB 3.000 . 3.300 2.595 2.595 2.595 . 0 0 "[ ]" 1
303 1 12 GLN HA 1 15 ILE H 4.000 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
304 1 12 GLN HA 1 14 ILE H 4.000 . 5.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
305 1 12 GLN H 1 14 ILE H 4.000 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
306 1 12 GLN HA 1 15 ILE MG 3.000 . 4.800 3.953 3.953 3.953 . 0 0 "[ ]" 1
307 1 12 GLN HA 1 15 ILE MD 3.000 . 4.800 1.831 1.831 1.831 . 0 0 "[ ]" 1
308 1 13 GLU HA 1 16 LYS QB 3.000 . 4.300 2.940 2.940 2.940 . 0 0 "[ ]" 1
309 1 13 GLU HA 1 15 ILE H 4.000 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
310 1 13 GLU HA 1 16 LYS QE 3.000 . 4.300 2.675 2.675 2.675 . 0 0 "[ ]" 1
311 1 14 ILE HA 1 17 THR HB 3.000 . 3.300 2.712 2.712 2.712 . 0 0 "[ ]" 1
312 1 14 ILE HA 1 17 THR H 4.000 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
313 1 14 ILE HA 1 16 LYS H 4.000 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
314 1 14 ILE HA 1 17 THR MG 4.000 . 6.500 3.924 3.924 3.924 . 0 0 "[ ]" 1
315 1 15 ILE HA 1 18 LEU QB 3.000 . 4.300 2.609 2.609 2.609 . 0 0 "[ ]" 1
316 1 15 ILE HA 1 18 LEU H 4.000 . 5.000 3.245 3.245 3.245 . 0 0 "[ ]" 1
317 1 15 ILE HA 1 17 THR H 4.000 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
318 1 15 ILE H 1 17 THR H 4.000 . 5.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
319 1 16 LYS HA 1 19 ASN QB 3.000 . 4.300 2.850 2.850 2.850 . 0 0 "[ ]" 1
320 1 16 LYS HA 1 19 ASN H 4.000 . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1
321 1 17 THR HA 1 20 SER QB 3.000 . 4.300 2.295 2.295 2.295 . 0 0 "[ ]" 1
322 1 17 THR HA 1 19 ASN H 4.000 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
323 1 17 THR H 1 19 ASN H 4.000 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
324 1 18 LEU HA 1 21 LEU QB 3.000 . 4.300 3.484 3.484 3.484 . 0 0 "[ ]" 1
325 1 18 LEU HA 1 21 LEU H 4.000 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
326 1 18 LEU H 1 20 SER H 4.000 . 5.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
327 1 19 ASN HA 1 22 THR HB 4.000 . 5.000 3.271 3.271 3.271 . 0 0 "[ ]" 1
328 1 19 ASN H 1 21 LEU H 4.000 . 5.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
329 1 19 ASN HA 1 22 THR MG 4.000 . 6.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
330 1 20 SER HA 1 23 GLU QB 3.000 . 4.300 3.550 3.550 3.550 . 0 0 "[ ]" 1
331 1 21 LEU HA 1 24 GLN QB 4.000 . 6.000 5.101 5.101 5.101 . 0 0 "[ ]" 1
332 1 21 LEU HA 1 24 GLN H 4.000 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
333 1 21 LEU HA 1 23 GLU H 4.000 . 5.000 3.467 3.467 3.467 . 0 0 "[ ]" 1
334 1 21 LEU H 1 23 GLU H 4.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
335 1 22 THR HA 1 24 GLN H 4.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
336 1 23 GLU HA 1 25 LYS H 4.000 . 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
337 1 24 GLN HA 1 27 LEU QB 4.000 . 6.000 5.518 5.518 5.518 . 0 0 "[ ]" 1
338 1 25 LYS HA 1 28 CYS QB 4.000 . 6.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
339 1 26 THR HA 1 29 THR H 4.000 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
340 1 26 THR HA 1 28 CYS H 4.000 . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 1
341 1 27 LEU HA 1 30 GLU QB 3.000 . 4.300 3.978 3.978 3.978 . 0 0 "[ ]" 1
342 1 27 LEU H 1 29 THR H 4.000 . 5.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
343 1 28 CYS HA 1 31 LEU MD1 4.000 . 6.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
344 1 28 CYS HA 1 31 LEU MD2 4.000 . 6.500 4.547 4.547 4.547 . 0 0 "[ ]" 1
345 1 28 CYS HA 1 31 LEU HG 4.000 . 5.000 4.156 4.156 4.156 . 0 0 "[ ]" 1
346 1 28 CYS QB 1 31 LEU QD 4.000 . 8.400 3.769 3.769 3.769 . 0 0 "[ ]" 1
347 1 29 THR HA 1 31 LEU H 4.000 . 5.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
348 1 30 GLU HA 1 32 THR MG 4.000 . 6.500 5.113 5.113 5.113 . 0 0 "[ ]" 1
349 1 34 THR HB 1 36 ILE MG 3.000 . 4.800 4.094 4.094 4.094 . 0 0 "[ ]" 1
350 1 34 THR MG 1 36 ILE HB 3.000 . 4.800 4.048 4.048 4.048 . 0 0 "[ ]" 1
351 1 34 THR MG 1 36 ILE MD 3.000 . 6.300 4.031 4.031 4.031 . 0 0 "[ ]" 1
352 1 36 ILE HA 1 38 ALA H 4.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
353 1 36 ILE H 1 38 ALA H 4.000 . 5.000 4.787 4.787 4.787 . 0 0 "[ ]" 1
354 1 37 PHE H 1 39 ALA H 4.000 . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
355 1 43 THR HB 1 47 GLU QB 3.000 . 4.300 3.007 3.007 3.007 . 0 0 "[ ]" 1
356 1 43 THR MG 1 47 GLU QB 3.000 . 5.800 2.616 2.616 2.616 . 0 0 "[ ]" 1
357 1 44 THR HA 1 48 THR H 4.000 . 5.000 5.151 5.151 5.151 0.151 1 0 "[ ]" 1
358 1 44 THR HA 1 47 GLU H 4.000 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 1
359 1 45 GLU HA 1 48 THR HB 3.000 . 3.300 2.739 2.739 2.739 . 0 0 "[ ]" 1
360 1 45 GLU QB 1 49 PHE QE 3.000 . 6.300 1.962 1.962 1.962 . 0 0 "[ ]" 1
361 1 45 GLU QB 1 49 PHE HZ 3.000 . 4.300 3.340 3.340 3.340 . 0 0 "[ ]" 1
362 1 46 LYS HA 1 49 PHE QB 4.000 . 6.000 2.779 2.779 2.779 . 0 0 "[ ]" 1
363 1 46 LYS HA 1 49 PHE H 4.000 . 5.000 3.433 3.433 3.433 . 0 0 "[ ]" 1
364 1 46 LYS HA 1 49 PHE QD 3.000 . 5.300 2.179 2.179 2.179 . 0 0 "[ ]" 1
365 1 47 GLU HA 1 50 CYS QB 3.000 . 4.300 3.108 3.108 3.108 . 0 0 "[ ]" 1
366 1 47 GLU HA 1 50 CYS H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
367 1 47 GLU H 1 49 PHE H 4.000 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
368 1 48 THR HA 1 51 ARG QB 3.000 . 4.300 2.768 2.768 2.768 . 0 0 "[ ]" 1
369 1 48 THR HA 1 52 ALA H 4.000 . 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
370 1 48 THR HA 1 51 ARG H 4.000 . 5.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
371 1 48 THR H 1 50 CYS H 4.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
372 1 48 THR MG 1 52 ALA MB 3.000 . 6.300 3.054 3.054 3.054 . 0 0 "[ ]" 1
373 1 48 THR HA 1 51 ARG QD 4.000 . 6.000 3.140 3.140 3.140 . 0 0 "[ ]" 1
374 1 49 PHE HA 1 52 ALA MB 3.000 . 4.800 2.701 2.701 2.701 . 0 0 "[ ]" 1
375 1 49 PHE HA 1 52 ALA H 4.000 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
376 1 49 PHE HA 1 51 ARG H 4.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
377 1 50 CYS HA 1 53 ALA MB 4.000 . 6.500 2.074 2.074 2.074 . 0 0 "[ ]" 1
378 1 50 CYS H 1 52 ALA H 4.000 . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
379 1 50 CYS HA 1 52 ALA MB 4.000 . 6.500 5.332 5.332 5.332 . 0 0 "[ ]" 1
380 1 51 ARG HA 1 54 THR HB 3.000 . 3.300 3.190 3.190 3.190 . 0 0 "[ ]" 1
381 1 51 ARG HA 1 54 THR H 4.000 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
382 1 51 ARG HA 1 53 ALA H 4.000 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
383 1 51 ARG H 1 53 ALA H 4.000 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
384 1 52 ALA HA 1 55 VAL HB 3.000 . 3.300 2.792 2.792 2.792 . 0 0 "[ ]" 1
385 1 52 ALA HA 1 56 LEU H 4.000 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
386 1 52 ALA HA 1 55 VAL H 4.000 . 5.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
387 1 52 ALA H 1 54 THR H 4.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
388 1 52 ALA HA 1 55 VAL MG2 4.000 . 6.500 3.039 3.039 3.039 . 0 0 "[ ]" 1
389 1 52 ALA HA 1 55 VAL MG1 4.000 . 6.500 4.210 4.210 4.210 . 0 0 "[ ]" 1
390 1 52 ALA MB 1 55 VAL HB 3.000 . 4.800 3.995 3.995 3.995 . 0 0 "[ ]" 1
391 1 52 ALA MB 1 56 LEU QD 3.000 . 7.200 2.708 2.708 2.708 . 0 0 "[ ]" 1
392 1 53 ALA HA 1 56 LEU QB 4.000 . 6.000 2.186 2.186 2.186 . 0 0 "[ ]" 1
393 1 53 ALA HA 1 55 VAL H 4.000 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
394 1 53 ALA HA 1 56 LEU MD1 3.000 . 4.800 3.139 3.139 3.139 . 0 0 "[ ]" 1
395 1 53 ALA HA 1 56 LEU MD2 3.000 . 4.800 3.548 3.548 3.548 . 0 0 "[ ]" 1
396 1 54 THR HA 1 57 ARG QB 4.000 . 6.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
397 1 54 THR HA 1 57 ARG QD 4.000 . 6.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
398 1 55 VAL HA 1 58 GLN QB 4.000 . 6.000 2.949 2.949 2.949 . 0 0 "[ ]" 1
399 1 55 VAL HA 1 58 GLN H 4.000 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
400 1 55 VAL HA 1 57 ARG H 4.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
401 1 56 LEU HA 1 59 PHE QB 4.000 . 6.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
402 1 56 LEU HA 1 59 PHE H 4.000 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
403 1 58 GLN HA 1 61 SER QB 4.000 . 6.000 2.709 2.709 2.709 . 0 0 "[ ]" 1
404 1 58 GLN H 1 60 TYR H 4.000 . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
405 1 59 PHE HA 1 62 HIS QB 4.000 . 6.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
406 1 59 PHE HA 1 62 HIS H 4.000 . 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
407 1 59 PHE H 1 61 SER H 4.000 . 5.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
408 1 59 PHE HA 1 63 HIS HD2 3.000 . 3.300 1.997 1.997 1.997 . 0 0 "[ ]" 1
409 1 59 PHE QB 1 63 HIS HD2 4.000 . 6.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
410 1 59 PHE QD 1 63 HIS QB 4.000 . 8.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
411 1 60 TYR HA 1 63 HIS QB 4.000 . 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
412 1 60 TYR HA 1 64 GLU H 4.000 . 5.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
413 1 60 TYR HA 1 63 HIS H 4.000 . 5.000 4.858 4.858 4.858 . 0 0 "[ ]" 1
414 1 60 TYR HA 1 62 HIS H 4.000 . 5.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
415 1 60 TYR H 1 62 HIS H 4.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
416 1 61 SER HA 1 64 GLU QB 4.000 . 6.000 3.261 3.261 3.261 . 0 0 "[ ]" 1
417 1 61 SER H 1 63 HIS H 4.000 . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 1
418 1 62 HIS H 1 64 GLU H 4.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
419 1 63 HIS HA 1 66 ASP QB 3.000 . 4.300 1.960 1.960 1.960 . 0 0 "[ ]" 1
420 1 63 HIS HA 1 66 ASP H 4.000 . 5.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
421 1 67 THR HA 1 70 LEU QB 3.000 . 4.300 1.959 1.959 1.959 . 0 0 "[ ]" 1
422 1 67 THR H 1 69 CYS H 4.000 . 5.000 5.051 5.051 5.051 0.051 1 0 "[ ]" 1
423 1 67 THR HA 1 70 LEU HG 3.000 . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1
424 1 67 THR HA 1 70 LEU QD 3.000 . 5.700 2.212 2.212 2.212 . 0 0 "[ ]" 1
425 1 67 THR HB 1 70 LEU QD 4.000 . 7.400 4.423 4.423 4.423 . 0 0 "[ ]" 1
426 1 67 THR HB 1 70 LEU QB 4.000 . 6.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
427 1 67 THR MG 1 70 LEU QD 4.000 . 8.900 2.415 2.415 2.415 . 0 0 "[ ]" 1
428 1 68 ARG H 1 70 LEU H 4.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
429 1 71 GLY QA 1 73 THR H 4.000 . 6.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
430 1 71 GLY QA 1 76 GLN QB 4.000 . 7.000 3.436 3.436 3.436 . 0 0 "[ ]" 1
431 1 73 THR HA 1 75 GLN H 4.000 . 5.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
432 1 73 THR MG 1 76 GLN QB 4.000 . 7.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
433 1 73 THR MG 1 76 GLN QG 4.000 . 7.500 4.924 4.924 4.924 . 0 0 "[ ]" 1
434 1 74 ALA HA 1 77 PHE QB 3.000 . 4.300 2.480 2.480 2.480 . 0 0 "[ ]" 1
435 1 74 ALA MB 1 77 PHE QB 4.000 . 7.500 3.675 3.675 3.675 . 0 0 "[ ]" 1
436 1 75 GLN HA 1 78 HIS QB 4.000 . 6.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
437 1 75 GLN HA 1 77 PHE H 4.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
438 1 76 GLN HA 1 79 ARG QB 4.000 . 6.000 2.429 2.429 2.429 . 0 0 "[ ]" 1
439 1 76 GLN HA 1 79 ARG H 4.000 . 5.000 3.377 3.377 3.377 . 0 0 "[ ]" 1
440 1 76 GLN H 1 78 HIS H 4.000 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
441 1 77 PHE HA 1 80 HIS QB 4.000 . 6.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
442 1 77 PHE HA 1 80 HIS H 4.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
443 1 77 PHE HA 1 80 HIS HD2 4.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
444 1 78 HIS HA 1 81 LYS QB 4.000 . 6.000 2.909 2.909 2.909 . 0 0 "[ ]" 1
445 1 78 HIS HA 1 82 GLN H 4.000 . 5.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
446 1 78 HIS HE1 1 82 GLN QG 4.000 . 6.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
447 1 79 ARG HA 1 82 GLN QB 4.000 . 6.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
448 1 79 ARG HA 1 83 LEU H 4.000 . 5.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
449 1 79 ARG HA 1 82 GLN H 4.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
450 1 80 HIS HA 1 83 LEU QB 4.000 . 6.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
451 1 80 HIS HA 1 84 ILE H 4.000 . 5.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
452 1 80 HIS H 1 82 GLN H 4.000 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
453 1 80 HIS HE1 1 84 ILE MD 4.000 . 6.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
454 1 80 HIS HE1 1 83 LEU QD 3.000 . 5.700 2.596 2.596 2.596 . 0 0 "[ ]" 1
455 1 80 HIS HA 1 83 LEU QD 4.000 . 7.400 3.646 3.646 3.646 . 0 0 "[ ]" 1
456 1 81 LYS HA 1 84 ILE HB 4.000 . 5.000 3.319 3.319 3.319 . 0 0 "[ ]" 1
457 1 81 LYS HA 1 84 ILE H 4.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
458 1 81 LYS HA 1 83 LEU H 4.000 . 5.000 4.176 4.176 4.176 . 0 0 "[ ]" 1
459 1 81 LYS H 1 83 LEU H 4.000 . 5.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
460 1 81 LYS HA 1 84 ILE MG 4.000 . 6.500 4.580 4.580 4.580 . 0 0 "[ ]" 1
461 1 82 GLN HA 1 85 ARG QB 3.000 . 4.300 2.737 2.737 2.737 . 0 0 "[ ]" 1
462 1 82 GLN HA 1 84 ILE H 4.000 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
463 1 82 GLN H 1 84 ILE H 4.000 . 5.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
464 1 82 GLN HA 1 85 ARG QG 4.000 . 6.000 4.711 4.711 4.711 . 0 0 "[ ]" 1
465 1 82 GLN HA 1 85 ARG QD 3.000 . 4.300 3.494 3.494 3.494 . 0 0 "[ ]" 1
466 1 83 LEU HA 1 86 PHE QB 4.000 . 6.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
467 1 83 LEU HA 1 86 PHE H 4.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
468 1 83 LEU HA 1 85 ARG H 4.000 . 5.000 4.292 4.292 4.292 . 0 0 "[ ]" 1
469 1 83 LEU H 1 85 ARG H 4.000 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
470 1 83 LEU HA 1 86 PHE QE 4.000 . 7.000 6.264 6.264 6.264 . 0 0 "[ ]" 1
471 1 83 LEU HA 1 86 PHE QD 4.000 . 7.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
472 1 84 ILE HA 1 87 LEU QB 3.000 . 4.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
473 1 84 ILE HA 1 88 LYS H 4.000 . 5.000 4.332 4.332 4.332 . 0 0 "[ ]" 1
474 1 84 ILE HA 1 87 LEU H 4.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
475 1 84 ILE H 1 86 PHE H 4.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
476 1 84 ILE HA 1 87 LEU QD 3.000 . 5.700 2.913 2.913 2.913 . 0 0 "[ ]" 1
477 1 85 ARG HA 1 88 LYS QB 3.000 . 4.300 3.138 3.138 3.138 . 0 0 "[ ]" 1
478 1 85 ARG H 1 87 LEU H 4.000 . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
479 1 86 PHE HA 1 89 ARG QB 3.000 . 4.300 3.063 3.063 3.063 . 0 0 "[ ]" 1
480 1 86 PHE HA 1 90 LEU H 4.000 . 5.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
481 1 86 PHE HA 1 89 ARG H 4.000 . 5.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
482 1 86 PHE HA 1 88 LYS H 4.000 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
483 1 87 LEU HA 1 90 LEU QB 4.000 . 6.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
484 1 87 LEU H 1 89 ARG H 4.000 . 5.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
485 1 87 LEU HA 1 90 LEU QD 3.000 . 5.700 3.951 3.951 3.951 . 0 0 "[ ]" 1
486 1 88 LYS HA 1 91 ASP QB 4.000 . 6.000 2.683 2.683 2.683 . 0 0 "[ ]" 1
487 1 88 LYS HA 1 92 ARG H 4.000 . 5.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
488 1 88 LYS HA 1 91 ASP H 4.000 . 5.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
489 1 88 LYS H 1 90 LEU H 4.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
490 1 89 ARG HA 1 92 ARG QB 4.000 . 6.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
491 1 89 ARG HA 1 92 ARG H 4.000 . 5.000 3.814 3.814 3.814 . 0 0 "[ ]" 1
492 1 89 ARG H 1 91 ASP H 4.000 . 5.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
493 1 90 LEU HA 1 93 ASN QB 4.000 . 6.000 2.652 2.652 2.652 . 0 0 "[ ]" 1
494 1 90 LEU HA 1 93 ASN H 4.000 . 5.000 3.307 3.307 3.307 . 0 0 "[ ]" 1
495 1 91 ASP HA 1 94 LEU QB 4.000 . 6.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
496 1 91 ASP HA 1 95 TRP H 4.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
497 1 91 ASP HA 1 94 LEU H 4.000 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
498 1 91 ASP HA 1 94 LEU QD 4.000 . 7.400 4.091 4.091 4.091 . 0 0 "[ ]" 1
499 1 92 ARG HA 1 95 TRP QB 4.000 . 6.000 5.303 5.303 5.303 . 0 0 "[ ]" 1
500 1 92 ARG HA 1 95 TRP H 4.000 . 5.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
501 1 92 ARG HA 1 94 LEU H 4.000 . 5.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
502 1 92 ARG H 1 94 LEU H 4.000 . 5.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
503 1 92 ARG QD 1 95 TRP HZ2 4.000 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
504 1 93 ASN HA 1 97 LEU H 4.000 . 5.000 3.996 3.996 3.996 . 0 0 "[ ]" 1
505 1 93 ASN HA 1 96 GLY H 4.000 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
506 1 93 ASN HA 1 95 TRP H 4.000 . 5.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
507 1 93 ASN H 1 95 TRP H 4.000 . 5.000 4.531 4.531 4.531 . 0 0 "[ ]" 1
508 1 94 LEU HA 1 97 LEU QB 4.000 . 6.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
509 1 94 LEU HA 1 97 LEU H 4.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
510 1 94 LEU HA 1 97 LEU QD 4.000 . 7.400 4.884 4.884 4.884 . 0 0 "[ ]" 1
511 1 95 TRP HA 1 98 ALA MB 4.000 . 6.500 2.143 2.143 2.143 . 0 0 "[ ]" 1
512 1 95 TRP H 1 97 LEU H 4.000 . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
513 1 95 TRP HH2 1 99 GLY QA 4.000 . 7.000 5.943 5.943 5.943 . 0 0 "[ ]" 1
514 1 95 TRP HE3 1 98 ALA MB 4.000 . 6.500 3.406 3.406 3.406 . 0 0 "[ ]" 1
515 1 95 TRP HD1 1 98 ALA MB 4.000 . 6.500 5.347 5.347 5.347 . 0 0 "[ ]" 1
516 1 98 ALA MB 1 100 LEU QD 2.500 . 6.600 3.084 3.084 3.084 . 0 0 "[ ]" 1
517 1 100 LEU QB 1 103 CYS QB 4.000 . 7.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
518 1 100 LEU QD 1 103 CYS QB 4.000 . 8.400 3.682 3.682 3.682 . 0 0 "[ ]" 1
519 1 103 CYS H 1 105 VAL H 4.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1
520 1 107 GLU HA 1 109 ASP H 4.000 . 6.000 6.064 6.064 6.064 0.064 1 0 "[ ]" 1
521 1 109 ASP H 1 111 SER H 4.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
522 1 110 GLN QB 1 112 THR MG 4.000 . 7.500 5.105 5.105 5.105 . 0 0 "[ ]" 1
523 1 110 GLN QG 1 112 THR MG 4.000 . 7.500 5.504 5.504 5.504 . 0 0 "[ ]" 1
524 1 112 THR HB 1 114 GLU QB 4.000 . 6.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
525 1 112 THR HB 1 114 GLU QG 4.000 . 6.000 4.651 4.651 4.651 . 0 0 "[ ]" 1
526 1 113 LEU HA 1 116 PHE QB 4.000 . 6.000 1.966 1.966 1.966 . 0 0 "[ ]" 1
527 1 113 LEU HG 1 117 LEU QD 3.000 . 5.700 3.391 3.391 3.391 . 0 0 "[ ]" 1
528 1 113 LEU QD 1 117 LEU HG 3.000 . 5.700 2.695 2.695 2.695 . 0 0 "[ ]" 1
529 1 113 LEU QD 1 116 PHE QB 4.000 . 8.400 2.865 2.865 2.865 . 0 0 "[ ]" 1
530 1 113 LEU HA 1 116 PHE QD 4.000 . 4.700 3.477 3.477 3.477 . 0 0 "[ ]" 1
531 1 113 LEU QD 1 116 PHE QD 3.000 . 7.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
532 1 113 LEU QD 1 116 PHE QE 3.000 . 7.700 3.342 3.342 3.342 . 0 0 "[ ]" 1
533 1 114 GLU HA 1 117 LEU QB 4.000 . 6.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
534 1 115 ASN HA 1 118 GLU QB 4.000 . 6.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
535 1 115 ASN HA 1 117 LEU H 4.000 . 5.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
536 1 115 ASN H 1 117 LEU H 4.000 . 5.000 4.718 4.718 4.718 . 0 0 "[ ]" 1
537 1 115 ASN HA 1 118 GLU QG 3.000 . 4.300 3.750 3.750 3.750 . 0 0 "[ ]" 1
538 1 116 PHE HA 1 119 ARG QB 4.000 . 6.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
539 1 116 PHE HA 1 120 LEU H 4.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
540 1 116 PHE HA 1 119 ARG H 4.000 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
541 1 116 PHE H 1 118 GLU H 4.000 . 5.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
542 1 116 PHE HA 1 119 ARG QG 3.000 . 4.300 3.680 3.680 3.680 . 0 0 "[ ]" 1
543 1 117 LEU HA 1 120 LEU QB 4.000 . 6.000 2.030 2.030 2.030 . 0 0 "[ ]" 1
544 1 117 LEU HA 1 121 LYS H 4.000 . 5.000 4.289 4.289 4.289 . 0 0 "[ ]" 1
545 1 117 LEU H 1 119 ARG H 4.000 . 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
546 1 117 LEU HA 1 120 LEU QD 3.000 . 5.700 2.424 2.424 2.424 . 0 0 "[ ]" 1
547 1 117 LEU QB 1 120 LEU QD 4.000 . 8.400 4.111 4.111 4.111 . 0 0 "[ ]" 1
548 1 118 GLU HA 1 122 THR H 4.000 . 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
549 1 118 GLU HA 1 121 LYS H 4.000 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
550 1 118 GLU HA 1 120 LEU H 4.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
551 1 118 GLU QG 1 122 THR MG 3.000 . 5.800 3.544 3.544 3.544 . 0 0 "[ ]" 1
552 1 119 ARG HA 1 122 THR HB 3.000 . 3.300 3.494 3.494 3.494 0.194 1 0 "[ ]" 1
553 1 119 ARG H 1 121 LYS H 4.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
554 1 120 LEU HA 1 123 ILE HB 3.000 . 3.300 3.078 3.078 3.078 . 0 0 "[ ]" 1
555 1 120 LEU HA 1 122 THR H 4.400 . 5.400 4.525 4.525 4.525 . 0 0 "[ ]" 1
556 1 120 LEU H 1 122 THR H 4.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
557 1 121 LYS HA 1 124 MET QB 4.000 . 6.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
558 1 121 LYS HA 1 125 ARG H 4.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
559 1 121 LYS HA 1 124 MET H 4.000 . 5.000 3.644 3.644 3.644 . 0 0 "[ ]" 1
560 1 121 LYS H 1 123 ILE H 4.000 . 5.000 4.184 4.184 4.184 . 0 0 "[ ]" 1
561 1 122 THR HA 1 125 ARG QB 3.000 . 4.300 3.441 3.441 3.441 . 0 0 "[ ]" 1
562 1 122 THR HA 1 126 GLU H 4.000 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
563 1 122 THR HA 1 125 ARG H 4.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
564 1 122 THR HA 1 124 MET H 4.000 . 5.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
565 1 122 THR H 1 124 MET H 4.000 . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
566 1 123 ILE HA 1 126 GLU QB 3.000 . 4.300 3.230 3.230 3.230 . 0 0 "[ ]" 1
567 1 123 ILE HA 1 126 GLU H 4.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
568 1 123 ILE H 1 125 ARG H 4.000 . 5.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
569 1 124 MET HA 1 127 LYS QB 4.000 . 6.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
570 1 124 MET HA 1 128 TYR H 4.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
571 1 124 MET HA 1 127 LYS H 4.000 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
572 1 124 MET H 1 126 GLU H 4.000 . 5.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
573 1 124 MET HA 1 128 TYR QD 3.000 . 5.300 3.084 3.084 3.084 . 0 0 "[ ]" 1
574 1 124 MET ME 1 128 TYR QD 3.000 . 6.800 3.842 3.842 3.842 . 0 0 "[ ]" 1
575 1 124 MET QB 1 128 TYR QD 3.000 . 6.300 2.635 2.635 2.635 . 0 0 "[ ]" 1
576 1 124 MET HA 1 128 TYR QE 4.000 . 7.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
577 1 124 MET ME 1 128 TYR QE 4.000 . 8.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
578 1 124 MET QB 1 128 TYR QE 4.000 . 8.000 2.849 2.849 2.849 . 0 0 "[ ]" 1
579 1 125 ARG HA 1 128 TYR QB 4.000 . 6.000 3.073 3.073 3.073 . 0 0 "[ ]" 1
580 1 125 ARG HA 1 128 TYR H 4.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
581 1 125 ARG HA 1 127 LYS H 4.000 . 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
582 1 127 LYS HA 1 130 LYS QB 4.000 . 6.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
583 1 129 SER H 1 131 CYS H 4.000 . 5.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 228
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.728
_Distance_constraint_stats_list.Viol_max 0.364
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.1821
_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 10 THR 0.000 0.000 . 0 "[ ]"
1 11 LEU 0.000 0.000 . 0 "[ ]"
1 14 ILE 0.000 0.000 . 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 21 LEU 0.000 0.000 . 0 "[ ]"
1 27 LEU 0.000 0.000 . 0 "[ ]"
1 28 CYS 0.000 0.000 . 0 "[ ]"
1 29 THR 0.000 0.000 . 0 "[ ]"
1 31 LEU 0.000 0.000 . 0 "[ ]"
1 32 THR 0.000 0.000 . 0 "[ ]"
1 33 VAL 0.114 0.114 1 0 "[ ]"
1 34 THR 0.120 0.120 1 0 "[ ]"
1 35 ASP 0.000 0.000 . 0 "[ ]"
1 36 ILE 0.000 0.000 . 0 "[ ]"
1 37 PHE 0.000 0.000 . 0 "[ ]"
1 43 THR 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 48 THR 0.000 0.000 . 0 "[ ]"
1 49 PHE 0.000 0.000 . 0 "[ ]"
1 50 CYS 0.364 0.364 1 0 "[ ]"
1 51 ARG 0.000 0.000 . 0 "[ ]"
1 52 ALA 0.000 0.000 . 0 "[ ]"
1 53 ALA 0.000 0.000 . 0 "[ ]"
1 54 THR 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.000 0.000 . 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 59 PHE 0.000 0.000 . 0 "[ ]"
1 60 TYR 0.000 0.000 . 0 "[ ]"
1 63 HIS 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 69 CYS 0.000 0.000 . 0 "[ ]"
1 70 LEU 0.000 0.000 . 0 "[ ]"
1 71 GLY 0.000 0.000 . 0 "[ ]"
1 77 PHE 0.000 0.000 . 0 "[ ]"
1 80 HIS 0.000 0.000 . 0 "[ ]"
1 83 LEU 0.000 0.000 . 0 "[ ]"
1 84 ILE 0.000 0.000 . 0 "[ ]"
1 86 PHE 0.000 0.000 . 0 "[ ]"
1 87 LEU 0.000 0.000 . 0 "[ ]"
1 88 LYS 0.000 0.000 . 0 "[ ]"
1 89 ARG 0.000 0.000 . 0 "[ ]"
1 90 LEU 0.000 0.000 . 0 "[ ]"
1 91 ASP 0.000 0.000 . 0 "[ ]"
1 93 ASN 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 TRP 0.494 0.364 1 0 "[ ]"
1 97 LEU 0.000 0.000 . 0 "[ ]"
1 98 ALA 0.000 0.000 . 0 "[ ]"
1 101 ASN 0.130 0.130 1 0 "[ ]"
1 105 VAL 0.000 0.000 . 0 "[ ]"
1 107 GLU 0.000 0.000 . 0 "[ ]"
1 108 ALA 0.000 0.000 . 0 "[ ]"
1 110 GLN 0.120 0.120 1 0 "[ ]"
1 111 SER 0.114 0.114 1 0 "[ ]"
1 112 THR 0.000 0.000 . 0 "[ ]"
1 113 LEU 0.000 0.000 . 0 "[ ]"
1 114 GLU 0.000 0.000 . 0 "[ ]"
1 116 PHE 0.000 0.000 . 0 "[ ]"
1 120 LEU 0.000 0.000 . 0 "[ ]"
1 121 LYS 0.000 0.000 . 0 "[ ]"
1 123 ILE 0.000 0.000 . 0 "[ ]"
1 124 MET 0.000 0.000 . 0 "[ ]"
1 128 TYR 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 THR MG 1 97 LEU QD 3.000 . 7.200 1.823 1.823 1.823 . 0 0 "[ ]" 2
2 1 10 THR HB 1 97 LEU QD 3.000 . 5.700 2.307 2.307 2.307 . 0 0 "[ ]" 2
3 1 10 THR HA 1 97 LEU QD 4.000 . 6.700 4.379 4.379 4.379 . 0 0 "[ ]" 2
4 1 10 THR MG 1 93 ASN HA 3.000 . 4.800 3.938 3.938 3.938 . 0 0 "[ ]" 2
5 1 10 THR MG 1 93 ASN QB 3.000 . 5.800 3.112 3.112 3.112 . 0 0 "[ ]" 2
6 1 11 LEU QD 1 46 LYS QB 4.000 . 8.400 5.144 5.144 5.144 . 0 0 "[ ]" 2
7 1 11 LEU QD 1 124 MET ME 3.000 . 7.200 4.300 4.300 4.300 . 0 0 "[ ]" 2
8 1 11 LEU HG 1 128 TYR QD 3.000 . 5.300 4.100 4.100 4.100 . 0 0 "[ ]" 2
9 1 11 LEU QB 1 128 TYR QD 3.000 . 6.300 3.990 3.990 3.990 . 0 0 "[ ]" 2
10 1 11 LEU QD 1 128 TYR QD 3.000 . 7.700 3.074 3.074 3.074 . 0 0 "[ ]" 2
11 1 11 LEU QD 1 128 TYR HA 4.000 . 7.400 4.600 4.600 4.600 . 0 0 "[ ]" 2
12 1 11 LEU QD 1 128 TYR QB 3.000 . 6.700 4.207 4.207 4.207 . 0 0 "[ ]" 2
13 1 11 LEU QD 1 128 TYR QE 4.000 . 9.400 2.038 2.038 2.038 . 0 0 "[ ]" 2
14 1 14 ILE HA 1 90 LEU QD 3.000 . 5.700 2.809 2.809 2.809 . 0 0 "[ ]" 2
15 1 14 ILE HG13 1 90 LEU HA 4.000 . 6.000 4.226 4.226 4.226 . 0 0 "[ ]" 2
16 1 14 ILE HG13 1 93 ASN QB 4.000 . 7.000 2.512 2.512 2.512 . 0 0 "[ ]" 2
17 1 14 ILE HG12 1 93 ASN QB 4.000 . 7.000 3.040 3.040 3.040 . 0 0 "[ ]" 2
18 1 14 ILE MD 1 93 ASN QB 3.000 . 5.800 1.967 1.967 1.967 . 0 0 "[ ]" 2
19 1 14 ILE MD 1 97 LEU QB 3.000 . 5.800 3.289 3.289 3.289 . 0 0 "[ ]" 2
20 1 14 ILE MG 1 124 MET ME 3.000 . 6.300 1.698 1.698 1.698 . 0 0 "[ ]" 2
21 1 14 ILE MG 1 124 MET QB 3.000 . 5.800 3.946 3.946 3.946 . 0 0 "[ ]" 2
22 1 14 ILE MG 1 124 MET QG 3.000 . 5.800 4.277 4.277 4.277 . 0 0 "[ ]" 2
23 1 15 ILE QG 1 124 MET HA 3.000 . 4.300 3.915 3.915 3.915 . 0 0 "[ ]" 2
24 1 15 ILE MD 1 124 MET QB 4.000 . 7.500 3.527 3.527 3.527 . 0 0 "[ ]" 2
25 1 15 ILE MG 1 124 MET QB 4.000 . 7.500 3.345 3.345 3.345 . 0 0 "[ ]" 2
26 1 15 ILE QG 1 124 MET QG 3.000 . 5.300 3.993 3.993 3.993 . 0 0 "[ ]" 2
27 1 15 ILE QG 1 124 MET ME 3.000 . 5.800 2.253 2.253 2.253 . 0 0 "[ ]" 2
28 1 15 ILE MD 1 124 MET ME 3.000 . 6.300 3.779 3.779 3.779 . 0 0 "[ ]" 2
29 1 15 ILE MD 1 128 TYR QB 3.000 . 5.800 2.034 2.034 2.034 . 0 0 "[ ]" 2
30 1 15 ILE MD 1 128 TYR QD 3.000 . 6.800 1.916 1.916 1.916 . 0 0 "[ ]" 2
31 1 15 ILE QG 1 128 TYR QD 4.000 . 8.000 2.150 2.150 2.150 . 0 0 "[ ]" 2
32 1 15 ILE MG 1 128 TYR QD 3.000 . 6.800 3.965 3.965 3.965 . 0 0 "[ ]" 2
33 1 15 ILE QG 1 128 TYR QE 4.000 . 8.000 2.900 2.900 2.900 . 0 0 "[ ]" 2
34 1 15 ILE MG 1 128 TYR QE 4.000 . 8.500 5.229 5.229 5.229 . 0 0 "[ ]" 2
35 1 17 THR HA 1 86 PHE QD 3.000 . 5.300 3.203 3.203 3.203 . 0 0 "[ ]" 2
36 1 17 THR HA 1 86 PHE QE 3.000 . 5.300 1.985 1.985 1.985 . 0 0 "[ ]" 2
37 1 17 THR MG 1 89 ARG HE 3.000 . 5.800 3.062 3.062 3.062 . 0 0 "[ ]" 2
38 1 17 THR MG 1 89 ARG QB 3.000 . 5.800 3.011 3.011 3.011 . 0 0 "[ ]" 2
39 1 17 THR MG 1 89 ARG HG3 3.000 . 5.800 4.747 4.747 4.747 . 0 0 "[ ]" 2
40 1 17 THR MG 1 86 PHE HA 3.000 . 4.800 3.631 3.631 3.631 . 0 0 "[ ]" 2
41 1 17 THR MG 1 86 PHE QB 3.000 . 5.800 3.471 3.471 3.471 . 0 0 "[ ]" 2
42 1 17 THR MG 1 90 LEU HA 4.000 . 6.500 3.524 3.524 3.524 . 0 0 "[ ]" 2
43 1 17 THR HB 1 90 LEU QD 2.500 . 5.100 2.097 2.097 2.097 . 0 0 "[ ]" 2
44 1 18 LEU HA 1 86 PHE QE 4.000 . 8.000 6.300 6.300 6.300 . 0 0 "[ ]" 2
45 1 18 LEU QD 1 120 LEU HA 3.000 . 5.700 3.874 3.874 3.874 . 0 0 "[ ]" 2
46 1 18 LEU QD 1 120 LEU HG 3.000 . 5.700 3.853 3.853 3.853 . 0 0 "[ ]" 2
47 1 18 LEU QD 1 120 LEU QD 3.000 . 8.100 1.774 1.774 1.774 . 0 0 "[ ]" 2
48 1 18 LEU QD 1 124 MET HA 4.000 . 7.400 5.613 5.613 5.613 . 0 0 "[ ]" 2
49 1 18 LEU QD 1 124 MET QB 4.000 . 8.400 3.653 3.653 3.653 . 0 0 "[ ]" 2
50 1 18 LEU QD 1 124 MET QG 3.000 . 6.700 2.857 2.857 2.857 . 0 0 "[ ]" 2
51 1 18 LEU HG 1 124 MET QG 3.000 . 4.300 1.953 1.953 1.953 . 0 0 "[ ]" 2
52 1 18 LEU HA 1 124 MET ME 3.000 . 4.800 3.964 3.964 3.964 . 0 0 "[ ]" 2
53 1 18 LEU QD 1 124 MET ME 3.000 . 7.200 2.767 2.767 2.767 . 0 0 "[ ]" 2
54 1 18 LEU QD 1 121 LYS HA 3.000 . 5.700 2.192 2.192 2.192 . 0 0 "[ ]" 2
55 1 21 LEU QB 1 59 PHE QD 4.000 . 8.000 6.491 6.491 6.491 . 0 0 "[ ]" 2
56 1 21 LEU HA 1 83 LEU QD 4.000 . 7.400 3.197 3.197 3.197 . 0 0 "[ ]" 2
57 1 21 LEU QD 1 86 PHE QD 4.000 . 9.400 3.064 3.064 3.064 . 0 0 "[ ]" 2
58 1 21 LEU QD 1 86 PHE HA 4.000 . 7.400 4.357 4.357 4.357 . 0 0 "[ ]" 2
59 1 21 LEU MD1 1 86 PHE QB 4.000 . 7.500 3.155 3.155 3.155 . 0 0 "[ ]" 2
60 1 21 LEU MD2 1 86 PHE QB 4.000 . 7.500 2.582 2.582 2.582 . 0 0 "[ ]" 2
61 1 27 LEU QD 1 71 GLY QA 4.000 . 9.400 3.374 3.374 3.374 . 0 0 "[ ]" 2
62 1 28 CYS QB 1 80 HIS HE1 4.000 . 6.000 4.984 4.984 4.984 . 0 0 "[ ]" 2
63 1 28 CYS QB 1 83 LEU QD 3.000 . 6.700 2.981 2.981 2.981 . 0 0 "[ ]" 2
64 1 29 THR HA 1 113 LEU QB 3.000 . 4.300 2.056 2.056 2.056 . 0 0 "[ ]" 2
65 1 29 THR HA 1 113 LEU QD 3.000 . 5.700 1.926 1.926 1.926 . 0 0 "[ ]" 2
66 1 29 THR HB 1 114 GLU HA 3.000 . 3.300 2.557 2.557 2.557 . 0 0 "[ ]" 2
67 1 29 THR HB 1 114 GLU QB 3.000 . 4.300 3.537 3.537 3.537 . 0 0 "[ ]" 2
68 1 29 THR HB 1 114 GLU QG 3.000 . 4.300 2.420 2.420 2.420 . 0 0 "[ ]" 2
69 1 29 THR HB 1 113 LEU QB 4.000 . 6.000 2.559 2.559 2.559 . 0 0 "[ ]" 2
70 1 29 THR HB 1 113 LEU QD 3.000 . 5.700 3.240 3.240 3.240 . 0 0 "[ ]" 2
71 1 29 THR MG 1 113 LEU QD 3.000 . 7.200 1.729 1.729 1.729 . 0 0 "[ ]" 2
72 1 29 THR MG 1 83 LEU MD1 4.000 . 8.000 4.807 4.807 4.807 . 0 0 "[ ]" 2
73 1 29 THR MG 1 83 LEU MD2 4.000 . 8.000 5.318 5.318 5.318 . 0 0 "[ ]" 2
74 1 31 LEU QD 1 63 HIS HD2 4.000 . 7.400 3.373 3.373 3.373 . 0 0 "[ ]" 2
75 1 31 LEU MD1 1 63 HIS HE1 4.000 . 6.500 2.894 2.894 2.894 . 0 0 "[ ]" 2
76 1 31 LEU MD2 1 63 HIS HE1 4.000 . 6.500 2.254 2.254 2.254 . 0 0 "[ ]" 2
77 1 32 THR HA 1 112 THR HB 4.000 . 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 2
78 1 32 THR HA 1 112 THR HA 2.500 . 2.700 2.082 2.082 2.082 . 0 0 "[ ]" 2
79 1 32 THR HA 1 112 THR MG 3.000 . 4.800 3.676 3.676 3.676 . 0 0 "[ ]" 2
80 1 32 THR HA 1 110 GLN QG 4.000 . 6.000 4.281 4.281 4.281 . 0 0 "[ ]" 2
81 1 32 THR HB 1 110 GLN QB 3.000 . 4.300 2.947 2.947 2.947 . 0 0 "[ ]" 2
82 1 32 THR HB 1 110 GLN QG 3.000 . 4.300 2.093 2.093 2.093 . 0 0 "[ ]" 2
83 1 32 THR MG 1 112 THR HB 3.000 . 4.800 3.751 3.751 3.751 . 0 0 "[ ]" 2
84 1 32 THR MG 1 112 THR HA 3.000 . 4.800 2.267 2.267 2.267 . 0 0 "[ ]" 2
85 1 32 THR MG 1 110 GLN QG 3.000 . 5.800 3.045 3.045 3.045 . 0 0 "[ ]" 2
86 1 32 THR MG 1 110 GLN QB 3.000 . 5.800 2.862 2.862 2.862 . 0 0 "[ ]" 2
87 1 33 VAL H 1 112 THR HA 3.300 2.500 3.500 3.267 3.267 3.267 . 0 0 "[ ]" 2
88 1 33 VAL H 1 111 SER H 3.300 2.500 3.500 3.614 3.614 3.614 0.114 1 0 "[ ]" 2
89 1 33 VAL MG1 1 113 LEU HA 3.000 . 4.800 3.466 3.466 3.466 . 0 0 "[ ]" 2
90 1 33 VAL MG2 1 113 LEU HA 3.000 . 4.800 2.282 2.282 2.282 . 0 0 "[ ]" 2
91 1 33 VAL QG 1 111 SER QB 4.000 . 8.400 3.641 3.641 3.641 . 0 0 "[ ]" 2
92 1 33 VAL QG 1 116 PHE QB 3.000 . 6.700 2.579 2.579 2.579 . 0 0 "[ ]" 2
93 1 33 VAL HA 1 55 VAL QG 3.000 . 5.700 4.001 4.001 4.001 . 0 0 "[ ]" 2
94 1 33 VAL HB 1 55 VAL QG 2.500 . 5.100 2.319 2.319 2.319 . 0 0 "[ ]" 2
95 1 33 VAL QG 1 55 VAL MG1 3.000 . 7.200 2.616 2.616 2.616 . 0 0 "[ ]" 2
96 1 33 VAL QG 1 55 VAL MG2 3.000 . 7.200 4.109 4.109 4.109 . 0 0 "[ ]" 2
97 1 33 VAL QG 1 59 PHE QB 4.000 . 8.400 3.779 3.779 3.779 . 0 0 "[ ]" 2
98 1 33 VAL QG 1 116 PHE QD 3.000 . 7.700 3.253 3.253 3.253 . 0 0 "[ ]" 2
99 1 34 THR HA 1 111 SER H 3.300 2.500 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 2
100 1 34 THR HA 1 110 GLN HA 3.000 . 3.300 3.420 3.420 3.420 0.120 1 0 "[ ]" 2
101 1 34 THR HA 1 110 GLN QG 4.000 . 6.000 4.573 4.573 4.573 . 0 0 "[ ]" 2
102 1 34 THR HA 1 110 GLN QB 4.000 . 6.000 5.508 5.508 5.508 . 0 0 "[ ]" 2
103 1 35 ASP HA 1 116 PHE QD 3.000 . 5.300 3.465 3.465 3.465 . 0 0 "[ ]" 2
104 1 35 ASP HA 1 111 SER QB 4.000 . 6.000 3.118 3.118 3.118 . 0 0 "[ ]" 2
105 1 35 ASP HB3 1 111 SER QB 3.000 . 4.300 3.394 3.394 3.394 . 0 0 "[ ]" 2
106 1 35 ASP HB2 1 111 SER QB 3.000 . 4.300 1.868 1.868 1.868 . 0 0 "[ ]" 2
107 1 36 ILE HA 1 107 GLU QG 4.000 . 6.000 4.169 4.169 4.169 . 0 0 "[ ]" 2
108 1 36 ILE HA 1 108 ALA MB 3.000 . 4.800 3.203 3.203 3.203 . 0 0 "[ ]" 2
109 1 36 ILE MD 1 48 THR HA 3.000 . 4.800 3.428 3.428 3.428 . 0 0 "[ ]" 2
110 1 36 ILE QG 1 48 THR MG 3.000 . 5.800 2.969 2.969 2.969 . 0 0 "[ ]" 2
111 1 36 ILE MD 1 48 THR MG 3.000 . 6.300 2.046 2.046 2.046 . 0 0 "[ ]" 2
112 1 36 ILE MG 1 51 ARG QB 4.000 . 7.500 2.912 2.912 2.912 . 0 0 "[ ]" 2
113 1 36 ILE MG 1 52 ALA HA 4.000 . 6.500 3.331 3.331 3.331 . 0 0 "[ ]" 2
114 1 36 ILE MG 1 52 ALA MB 3.000 . 6.300 3.676 3.676 3.676 . 0 0 "[ ]" 2
115 1 36 ILE QG 1 52 ALA HA 4.000 . 6.000 4.783 4.783 4.783 . 0 0 "[ ]" 2
116 1 36 ILE MD 1 52 ALA HA 3.000 . 4.800 2.735 2.735 2.735 . 0 0 "[ ]" 2
117 1 36 ILE MD 1 52 ALA MB 3.000 . 6.300 1.959 1.959 1.959 . 0 0 "[ ]" 2
118 1 36 ILE QG 1 52 ALA MB 3.000 . 5.800 3.734 3.734 3.734 . 0 0 "[ ]" 2
119 1 37 PHE HZ 1 123 ILE MD 4.000 . 6.500 5.080 5.080 5.080 . 0 0 "[ ]" 2
120 1 37 PHE HZ 1 123 ILE QG 3.000 . 4.300 3.622 3.622 3.622 . 0 0 "[ ]" 2
121 1 37 PHE HZ 1 123 ILE MG 4.000 . 6.500 4.440 4.440 4.440 . 0 0 "[ ]" 2
122 1 37 PHE HZ 1 48 THR MG 4.000 . 6.500 3.262 3.262 3.262 . 0 0 "[ ]" 2
123 1 37 PHE HZ 1 120 LEU HA 4.000 . 5.000 3.197 3.197 3.197 . 0 0 "[ ]" 2
124 1 37 PHE HZ 1 120 LEU HG 4.000 . 5.000 2.700 2.700 2.700 . 0 0 "[ ]" 2
125 1 37 PHE HZ 1 120 LEU QB 4.000 . 6.000 4.454 4.454 4.454 . 0 0 "[ ]" 2
126 1 37 PHE HZ 1 120 LEU QD 4.000 . 7.400 3.402 3.402 3.402 . 0 0 "[ ]" 2
127 1 37 PHE QE 1 123 ILE MD 4.000 . 8.500 3.568 3.568 3.568 . 0 0 "[ ]" 2
128 1 37 PHE QE 1 116 PHE HA 3.000 . 5.300 3.308 3.308 3.308 . 0 0 "[ ]" 2
129 1 37 PHE QE 1 120 LEU HA 3.000 . 5.300 4.027 4.027 4.027 . 0 0 "[ ]" 2
130 1 37 PHE QE 1 123 ILE QG 4.000 . 8.000 2.626 2.626 2.626 . 0 0 "[ ]" 2
131 1 37 PHE QE 1 123 ILE MG 4.000 . 8.500 3.226 3.226 3.226 . 0 0 "[ ]" 2
132 1 37 PHE QE 1 48 THR HB 4.000 . 7.000 4.819 4.819 4.819 . 0 0 "[ ]" 2
133 1 37 PHE QE 1 48 THR MG 3.000 . 6.800 2.261 2.261 2.261 . 0 0 "[ ]" 2
134 1 37 PHE QE 1 120 LEU QB 4.000 . 8.000 4.305 4.305 4.305 . 0 0 "[ ]" 2
135 1 37 PHE QD 1 116 PHE HA 4.000 . 7.000 3.422 3.422 3.422 . 0 0 "[ ]" 2
136 1 37 PHE QD 1 123 ILE QG 3.000 . 6.300 3.590 3.590 3.590 . 0 0 "[ ]" 2
137 1 37 PHE QD 1 48 THR MG 4.000 . 8.500 3.750 3.750 3.750 . 0 0 "[ ]" 2
138 1 37 PHE QD 1 120 LEU QB 4.000 . 8.000 6.104 6.104 6.104 . 0 0 "[ ]" 2
139 1 37 PHE QD 1 120 LEU HG 4.000 . 7.000 5.658 5.658 5.658 . 0 0 "[ ]" 2
140 1 37 PHE QD 1 120 LEU QD 4.000 . 9.400 5.389 5.389 5.389 . 0 0 "[ ]" 2
141 1 43 THR MG 1 51 ARG QD 3.000 . 5.800 3.193 3.193 3.193 . 0 0 "[ ]" 2
142 1 45 GLU QG 1 98 ALA HA 4.000 . 6.000 5.230 5.230 5.230 . 0 0 "[ ]" 2
143 1 46 LYS HA 1 98 ALA HA 4.000 . 5.000 3.162 3.162 3.162 . 0 0 "[ ]" 2
144 1 46 LYS QG 1 98 ALA HA 4.000 . 6.000 4.043 4.043 4.043 . 0 0 "[ ]" 2
145 1 49 PHE QD 1 95 TRP HA 3.000 . 5.300 4.651 4.651 4.651 . 0 0 "[ ]" 2
146 1 49 PHE QD 1 94 LEU QD 4.000 . 9.400 1.889 1.889 1.889 . 0 0 "[ ]" 2
147 1 49 PHE QD 1 124 MET ME 3.000 . 6.800 4.799 4.799 4.799 . 0 0 "[ ]" 2
148 1 49 PHE QD 1 97 LEU QD 3.000 . 7.700 4.099 4.099 4.099 . 0 0 "[ ]" 2
149 1 49 PHE HA 1 94 LEU QD 3.000 . 5.700 1.958 1.958 1.958 . 0 0 "[ ]" 2
150 1 49 PHE QD 1 94 LEU HG 3.000 . 5.300 2.340 2.340 2.340 . 0 0 "[ ]" 2
151 1 49 PHE QB 1 98 ALA MB 3.000 . 5.800 2.805 2.805 2.805 . 0 0 "[ ]" 2
152 1 49 PHE QB 1 94 LEU QD 4.000 . 8.400 2.565 2.565 2.565 . 0 0 "[ ]" 2
153 1 49 PHE HZ 1 124 MET ME 4.000 . 6.500 4.245 4.245 4.245 . 0 0 "[ ]" 2
154 1 49 PHE QE 1 124 MET ME 3.000 . 6.800 3.587 3.587 3.587 . 0 0 "[ ]" 2
155 1 50 CYS HA 1 95 TRP HE3 4.000 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 2
156 1 50 CYS HA 1 95 TRP HD1 4.000 . 5.000 5.364 5.364 5.364 0.364 1 0 "[ ]" 2
157 1 50 CYS QB 1 98 ALA MB 3.000 . 5.800 2.463 2.463 2.463 . 0 0 "[ ]" 2
158 1 51 ARG HA 1 105 VAL QG 3.000 . 5.700 3.180 3.180 3.180 . 0 0 "[ ]" 2
159 1 51 ARG QB 1 105 VAL QG 4.000 . 8.400 2.467 2.467 2.467 . 0 0 "[ ]" 2
160 1 51 ARG QG 1 105 VAL QG 4.000 . 8.400 2.613 2.613 2.613 . 0 0 "[ ]" 2
161 1 52 ALA HA 1 116 PHE QD 4.000 . 7.000 5.807 5.807 5.807 . 0 0 "[ ]" 2
162 1 52 ALA MB 1 116 PHE QD 3.000 . 6.800 4.851 4.851 4.851 . 0 0 "[ ]" 2
163 1 52 ALA HA 1 116 PHE HZ 4.000 . 5.000 3.105 3.105 3.105 . 0 0 "[ ]" 2
164 1 52 ALA MB 1 116 PHE HZ 3.000 . 4.800 2.035 2.035 2.035 . 0 0 "[ ]" 2
165 1 53 ALA HA 1 91 ASP HA 4.000 . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 2
166 1 53 ALA MB 1 91 ASP HA 4.000 . 6.500 3.524 3.524 3.524 . 0 0 "[ ]" 2
167 1 53 ALA MB 1 95 TRP QB 4.000 . 7.500 1.877 1.877 1.877 . 0 0 "[ ]" 2
168 1 53 ALA MB 1 95 TRP HE3 4.000 . 6.500 4.181 4.181 4.181 . 0 0 "[ ]" 2
169 1 54 THR HB 1 105 VAL MG1 4.000 . 6.500 3.620 3.620 3.620 . 0 0 "[ ]" 2
170 1 54 THR HB 1 105 VAL MG2 4.000 . 6.500 3.830 3.830 3.830 . 0 0 "[ ]" 2
171 1 54 THR HB 1 105 VAL HB 4.000 . 5.000 3.112 3.112 3.112 . 0 0 "[ ]" 2
172 1 54 THR MG 1 105 VAL MG1 3.000 . 6.300 2.465 2.465 2.465 . 0 0 "[ ]" 2
173 1 54 THR MG 1 105 VAL MG2 3.000 . 6.300 3.805 3.805 3.805 . 0 0 "[ ]" 2
174 1 54 THR MG 1 105 VAL HB 3.000 . 4.800 3.058 3.058 3.058 . 0 0 "[ ]" 2
175 1 55 VAL HB 1 116 PHE QD 4.000 . 7.000 5.608 5.608 5.608 . 0 0 "[ ]" 2
176 1 55 VAL QG 1 116 PHE QD 3.000 . 7.700 4.111 4.111 4.111 . 0 0 "[ ]" 2
177 1 55 VAL HA 1 105 VAL QG 4.000 . 7.400 3.916 3.916 3.916 . 0 0 "[ ]" 2
178 1 55 VAL QG 1 105 VAL HB 3.000 . 5.700 3.475 3.475 3.475 . 0 0 "[ ]" 2
179 1 56 LEU QD 1 116 PHE HZ 2.500 . 5.100 2.736 2.736 2.736 . 0 0 "[ ]" 2
180 1 56 LEU QD 1 116 PHE QD 4.000 . 9.400 4.250 4.250 4.250 . 0 0 "[ ]" 2
181 1 56 LEU QD 1 113 LEU MD1 4.000 . 8.900 4.206 4.206 4.206 . 0 0 "[ ]" 2
182 1 56 LEU QD 1 113 LEU MD2 4.000 . 8.900 4.875 4.875 4.875 . 0 0 "[ ]" 2
183 1 56 LEU QD 1 91 ASP HA 4.000 . 7.400 3.509 3.509 3.509 . 0 0 "[ ]" 2
184 1 56 LEU QD 1 90 LEU HG 3.000 . 5.700 3.501 3.501 3.501 . 0 0 "[ ]" 2
185 1 56 LEU QD 1 90 LEU QB 3.000 . 6.700 2.516 2.516 2.516 . 0 0 "[ ]" 2
186 1 59 PHE QD 1 87 LEU QD 3.000 . 7.700 1.860 1.860 1.860 . 0 0 "[ ]" 2
187 1 59 PHE QD 1 113 LEU MD1 3.000 . 6.800 2.301 2.301 2.301 . 0 0 "[ ]" 2
188 1 59 PHE QD 1 113 LEU MD2 3.000 . 6.700 2.862 2.862 2.862 . 0 0 "[ ]" 2
189 1 59 PHE QD 1 87 LEU QB 4.000 . 8.000 4.365 4.365 4.365 . 0 0 "[ ]" 2
190 1 60 TYR QD 1 88 LYS HA 3.000 . 5.300 4.485 4.485 4.485 . 0 0 "[ ]" 2
191 1 60 TYR QD 1 88 LYS QE 3.000 . 6.300 3.069 3.069 3.069 . 0 0 "[ ]" 2
192 1 60 TYR QD 1 88 LYS QB 3.000 . 6.300 4.866 4.866 4.866 . 0 0 "[ ]" 2
193 1 60 TYR QD 1 91 ASP QB 4.000 . 8.000 4.251 4.251 4.251 . 0 0 "[ ]" 2
194 1 60 TYR QE 1 91 ASP QB 3.000 . 6.300 4.576 4.576 4.576 . 0 0 "[ ]" 2
195 1 60 TYR QE 1 88 LYS QE 4.000 . 8.000 1.993 1.993 1.993 . 0 0 "[ ]" 2
196 1 60 TYR QE 1 88 LYS HA 3.000 . 5.300 4.700 4.700 4.700 . 0 0 "[ ]" 2
197 1 60 TYR QD 1 87 LEU QB 3.000 . 6.300 3.621 3.621 3.621 . 0 0 "[ ]" 2
198 1 60 TYR QD 1 84 ILE MG 3.000 . 6.800 2.180 2.180 2.180 . 0 0 "[ ]" 2
199 1 60 TYR QD 1 87 LEU QD 4.000 . 9.400 3.430 3.430 3.430 . 0 0 "[ ]" 2
200 1 60 TYR HA 1 87 LEU QB 4.000 . 6.000 3.966 3.966 3.966 . 0 0 "[ ]" 2
201 1 60 TYR HA 1 87 LEU QD 3.000 . 5.700 2.440 2.440 2.440 . 0 0 "[ ]" 2
202 1 60 TYR HA 1 84 ILE MG 4.000 . 6.500 3.465 3.465 3.465 . 0 0 "[ ]" 2
203 1 60 TYR HA 1 84 ILE MD 3.000 . 4.800 2.888 2.888 2.888 . 0 0 "[ ]" 2
204 1 60 TYR QB 1 87 LEU QD 3.000 . 6.700 1.804 1.804 1.804 . 0 0 "[ ]" 2
205 1 60 TYR QB 1 84 ILE MG 4.000 . 7.500 2.702 2.702 2.702 . 0 0 "[ ]" 2
206 1 60 TYR QB 1 84 ILE MD 4.000 . 7.500 3.338 3.338 3.338 . 0 0 "[ ]" 2
207 1 64 GLU QB 1 80 HIS HE1 4.000 . 6.000 4.888 4.888 4.888 . 0 0 "[ ]" 2
208 1 64 GLU QG 1 80 HIS HE1 4.000 . 6.000 5.274 5.274 5.274 . 0 0 "[ ]" 2
209 1 64 GLU HA 1 84 ILE QG 3.000 . 4.300 2.780 2.780 2.780 . 0 0 "[ ]" 2
210 1 64 GLU HA 1 84 ILE MG 3.000 . 4.800 3.336 3.336 3.336 . 0 0 "[ ]" 2
211 1 64 GLU HA 1 84 ILE MD 3.000 . 4.800 1.909 1.909 1.909 . 0 0 "[ ]" 2
212 1 64 GLU HB3 1 84 ILE QG 4.000 . 6.000 4.341 4.341 4.341 . 0 0 "[ ]" 2
213 1 64 GLU HB3 1 84 ILE MG 3.000 . 4.800 3.402 3.402 3.402 . 0 0 "[ ]" 2
214 1 64 GLU HB2 1 84 ILE QG 4.000 . 6.000 2.980 2.980 2.980 . 0 0 "[ ]" 2
215 1 64 GLU HB2 1 84 ILE MG 3.000 . 4.800 1.993 1.993 1.993 . 0 0 "[ ]" 2
216 1 64 GLU QB 1 83 LEU QD 4.000 . 8.400 4.857 4.857 4.857 . 0 0 "[ ]" 2
217 1 64 GLU QG 1 84 ILE QG 3.000 . 5.300 2.390 2.390 2.390 . 0 0 "[ ]" 2
218 1 64 GLU QG 1 84 ILE MG 3.000 . 5.800 2.494 2.494 2.494 . 0 0 "[ ]" 2
219 1 69 CYS QB 1 80 HIS HE1 3.000 . 4.300 3.266 3.266 3.266 . 0 0 "[ ]" 2
220 1 70 LEU HA 1 77 PHE HA 4.000 . 5.000 4.182 4.182 4.182 . 0 0 "[ ]" 2
221 1 70 LEU HA 1 80 HIS QB 4.000 . 6.000 3.410 3.410 3.410 . 0 0 "[ ]" 2
222 1 70 LEU QD 1 77 PHE HA 3.000 . 5.700 2.693 2.693 2.693 . 0 0 "[ ]" 2
223 1 70 LEU QD 1 80 HIS QB 3.000 . 6.700 2.799 2.799 2.799 . 0 0 "[ ]" 2
224 1 70 LEU QD 1 80 HIS HD2 3.000 . 5.700 1.975 1.975 1.975 . 0 0 "[ ]" 2
225 1 70 LEU HA 1 80 HIS HD2 4.000 . 5.000 3.632 3.632 3.632 . 0 0 "[ ]" 2
226 1 94 LEU QD 1 124 MET ME 4.000 . 8.900 2.673 2.673 2.673 . 0 0 "[ ]" 2
227 1 95 TRP HZ2 1 101 ASN HA 4.000 . 5.000 5.130 5.130 5.130 0.130 1 0 "[ ]" 2
228 1 95 TRP HH2 1 101 ASN HA 4.000 . 5.000 2.670 2.670 2.670 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 98
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 0.790
_Distance_constraint_stats_list.Viol_max 0.134
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0395
_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 9 ILE 0.000 0.000 . 0 "[ ]"
1 10 THR 0.045 0.045 1 0 "[ ]"
1 11 LEU 0.000 0.000 . 0 "[ ]"
1 12 GLN 0.058 0.053 1 0 "[ ]"
1 13 GLU 0.000 0.000 . 0 "[ ]"
1 14 ILE 0.045 0.045 1 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 LYS 0.058 0.053 1 0 "[ ]"
1 17 THR 0.081 0.079 1 0 "[ ]"
1 18 LEU 0.000 0.000 . 0 "[ ]"
1 19 ASN 0.000 0.000 . 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 LEU 0.081 0.079 1 0 "[ ]"
1 33 VAL 0.031 0.031 1 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 GLU 0.024 0.024 1 0 "[ ]"
1 48 THR 0.012 0.012 1 0 "[ ]"
1 49 PHE 0.000 0.000 . 0 "[ ]"
1 50 CYS 0.021 0.021 1 0 "[ ]"
1 51 ARG 0.058 0.034 1 0 "[ ]"
1 52 ALA 0.012 0.012 1 0 "[ ]"
1 53 ALA 0.000 0.000 . 0 "[ ]"
1 54 THR 0.038 0.021 1 0 "[ ]"
1 55 VAL 0.083 0.049 1 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 57 ARG 0.000 0.000 . 0 "[ ]"
1 58 GLN 0.017 0.017 1 0 "[ ]"
1 59 PHE 0.049 0.049 1 0 "[ ]"
1 60 TYR 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 75 GLN 0.000 0.000 . 0 "[ ]"
1 76 GLN 0.000 0.000 . 0 "[ ]"
1 77 PHE 0.040 0.040 1 0 "[ ]"
1 79 ARG 0.000 0.000 . 0 "[ ]"
1 80 HIS 0.000 0.000 . 0 "[ ]"
1 81 LYS 0.040 0.040 1 0 "[ ]"
1 82 GLN 0.000 0.000 . 0 "[ ]"
1 83 LEU 0.018 0.018 1 0 "[ ]"
1 84 ILE 0.000 0.000 . 0 "[ ]"
1 85 ARG 0.016 0.016 1 0 "[ ]"
1 86 PHE 0.077 0.077 1 0 "[ ]"
1 87 LEU 0.018 0.018 1 0 "[ ]"
1 88 LYS 0.000 0.000 . 0 "[ ]"
1 89 ARG 0.016 0.016 1 0 "[ ]"
1 90 LEU 0.108 0.077 1 0 "[ ]"
1 91 ASP 0.000 0.000 . 0 "[ ]"
1 92 ARG 0.134 0.134 1 0 "[ ]"
1 93 ASN 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.031 0.031 1 0 "[ ]"
1 96 GLY 0.134 0.134 1 0 "[ ]"
1 111 SER 0.031 0.031 1 0 "[ ]"
1 113 LEU 0.000 0.000 . 0 "[ ]"
1 114 GLU 0.093 0.093 1 0 "[ ]"
1 115 ASN 0.000 0.000 . 0 "[ ]"
1 116 PHE 0.010 0.010 1 0 "[ ]"
1 117 LEU 0.000 0.000 . 0 "[ ]"
1 118 GLU 0.093 0.093 1 0 "[ ]"
1 119 ARG 0.000 0.000 . 0 "[ ]"
1 120 LEU 0.010 0.010 1 0 "[ ]"
1 121 LYS 0.000 0.000 . 0 "[ ]"
1 122 THR 0.000 0.000 . 0 "[ ]"
1 123 ILE 0.000 0.000 . 0 "[ ]"
1 124 MET 0.000 0.000 . 0 "[ ]"
1 125 ARG 0.000 0.000 . 0 "[ ]"
1 126 GLU 0.000 0.000 . 0 "[ ]"
1 127 LYS 0.000 0.000 . 0 "[ ]"
1 128 TYR 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ILE O 1 13 GLU H 1.800 . 2.300 2.217 2.217 2.217 . 0 0 "[ ]" 3
2 1 9 ILE O 1 13 GLU N 2.800 2.400 3.300 3.138 3.138 3.138 . 0 0 "[ ]" 3
3 1 10 THR O 1 14 ILE H 1.800 . 2.300 2.345 2.345 2.345 0.045 1 0 "[ ]" 3
4 1 10 THR O 1 14 ILE N 2.800 2.400 3.300 3.143 3.143 3.143 . 0 0 "[ ]" 3
5 1 11 LEU O 1 15 ILE H 1.800 . 2.300 2.170 2.170 2.170 . 0 0 "[ ]" 3
6 1 11 LEU O 1 15 ILE N 2.800 2.400 3.300 2.836 2.836 2.836 . 0 0 "[ ]" 3
7 1 12 GLN O 1 16 LYS H 1.800 . 2.300 2.353 2.353 2.353 0.053 1 0 "[ ]" 3
8 1 12 GLN O 1 16 LYS N 2.800 2.400 3.300 3.306 3.306 3.306 0.006 1 0 "[ ]" 3
9 1 13 GLU O 1 17 THR H 1.800 . 2.300 2.235 2.235 2.235 . 0 0 "[ ]" 3
10 1 13 GLU O 1 17 THR N 2.800 2.400 3.300 3.140 3.140 3.140 . 0 0 "[ ]" 3
11 1 14 ILE O 1 18 LEU H 1.800 . 2.300 2.296 2.296 2.296 . 0 0 "[ ]" 3
12 1 14 ILE O 1 18 LEU N 2.800 2.400 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 3
13 1 15 ILE O 1 19 ASN H 1.800 . 2.300 2.206 2.206 2.206 . 0 0 "[ ]" 3
14 1 15 ILE O 1 19 ASN N 2.800 2.400 3.300 3.038 3.038 3.038 . 0 0 "[ ]" 3
15 1 16 LYS O 1 20 SER H 1.800 . 2.300 2.259 2.259 2.259 . 0 0 "[ ]" 3
16 1 16 LYS O 1 20 SER N 2.800 2.400 3.300 3.032 3.032 3.032 . 0 0 "[ ]" 3
17 1 17 THR O 1 21 LEU H 1.800 . 2.300 2.379 2.379 2.379 0.079 1 0 "[ ]" 3
18 1 17 THR O 1 21 LEU N 2.800 2.400 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 3
19 1 33 VAL O 1 111 SER N 2.800 2.400 3.300 3.131 3.131 3.131 . 0 0 "[ ]" 3
20 1 33 VAL O 1 111 SER H 1.800 . 2.300 2.331 2.331 2.331 0.031 1 0 "[ ]" 3
21 1 45 GLU O 1 49 PHE H 1.800 . 2.300 2.291 2.291 2.291 . 0 0 "[ ]" 3
22 1 45 GLU O 1 49 PHE N 2.800 2.400 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 3
23 1 46 LYS O 1 50 CYS H 1.800 . 2.300 2.268 2.268 2.268 . 0 0 "[ ]" 3
24 1 46 LYS O 1 50 CYS N 2.800 2.400 3.300 3.188 3.188 3.188 . 0 0 "[ ]" 3
25 1 47 GLU O 1 51 ARG H 1.800 . 2.300 2.324 2.324 2.324 0.024 1 0 "[ ]" 3
26 1 47 GLU O 1 51 ARG N 2.800 2.400 3.300 3.266 3.266 3.266 . 0 0 "[ ]" 3
27 1 48 THR O 1 52 ALA H 1.800 . 2.300 2.312 2.312 2.312 0.012 1 0 "[ ]" 3
28 1 48 THR O 1 52 ALA N 2.800 2.400 3.300 3.229 3.229 3.229 . 0 0 "[ ]" 3
29 1 49 PHE O 1 53 ALA H 1.800 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 3
30 1 49 PHE O 1 53 ALA N 2.800 2.400 3.300 2.757 2.757 2.757 . 0 0 "[ ]" 3
31 1 50 CYS O 1 54 THR H 1.800 . 2.300 2.321 2.321 2.321 0.021 1 0 "[ ]" 3
32 1 50 CYS O 1 54 THR N 2.800 2.400 3.300 3.134 3.134 3.134 . 0 0 "[ ]" 3
33 1 51 ARG O 1 55 VAL H 1.800 . 2.300 2.334 2.334 2.334 0.034 1 0 "[ ]" 3
34 1 51 ARG O 1 55 VAL N 2.800 2.400 3.300 3.298 3.298 3.298 . 0 0 "[ ]" 3
35 1 52 ALA O 1 56 LEU H 1.800 . 2.300 2.210 2.210 2.210 . 0 0 "[ ]" 3
36 1 52 ALA O 1 56 LEU N 2.800 2.400 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 3
37 1 53 ALA O 1 57 ARG H 1.800 . 2.300 2.205 2.205 2.205 . 0 0 "[ ]" 3
38 1 53 ALA O 1 57 ARG N 2.800 2.400 3.300 2.924 2.924 2.924 . 0 0 "[ ]" 3
39 1 54 THR O 1 58 GLN H 1.800 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 3
40 1 54 THR O 1 58 GLN N 2.800 2.400 3.300 3.250 3.250 3.250 . 0 0 "[ ]" 3
41 1 55 VAL O 1 59 PHE H 1.800 . 2.300 2.349 2.349 2.349 0.049 1 0 "[ ]" 3
42 1 55 VAL O 1 59 PHE N 2.800 2.400 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 3
43 1 56 LEU O 1 60 TYR H 1.800 . 2.300 2.243 2.243 2.243 . 0 0 "[ ]" 3
44 1 56 LEU O 1 60 TYR N 2.800 2.400 3.300 3.163 3.163 3.163 . 0 0 "[ ]" 3
45 1 57 ARG O 1 61 SER H 1.800 . 2.300 2.229 2.229 2.229 . 0 0 "[ ]" 3
46 1 57 ARG O 1 61 SER N 2.800 2.400 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 3
47 1 75 GLN O 1 79 ARG H 1.800 . 2.300 2.232 2.232 2.232 . 0 0 "[ ]" 3
48 1 75 GLN O 1 79 ARG N 2.800 2.400 3.300 3.190 3.190 3.190 . 0 0 "[ ]" 3
49 1 76 GLN O 1 80 HIS H 1.800 . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 3
50 1 76 GLN O 1 80 HIS N 2.800 2.400 3.300 3.089 3.089 3.089 . 0 0 "[ ]" 3
51 1 77 PHE O 1 81 LYS H 1.800 . 2.300 2.340 2.340 2.340 0.040 1 0 "[ ]" 3
52 1 77 PHE O 1 81 LYS N 2.800 2.400 3.300 3.250 3.250 3.250 . 0 0 "[ ]" 3
53 1 80 HIS O 1 84 ILE H 1.800 . 2.300 2.255 2.255 2.255 . 0 0 "[ ]" 3
54 1 80 HIS O 1 84 ILE N 2.800 2.400 3.300 3.201 3.201 3.201 . 0 0 "[ ]" 3
55 1 82 GLN O 1 86 PHE H 1.800 . 2.300 2.239 2.239 2.239 . 0 0 "[ ]" 3
56 1 82 GLN O 1 86 PHE N 2.800 2.400 3.300 3.216 3.216 3.216 . 0 0 "[ ]" 3
57 1 83 LEU O 1 87 LEU H 1.800 . 2.300 2.318 2.318 2.318 0.018 1 0 "[ ]" 3
58 1 83 LEU O 1 87 LEU N 2.800 2.400 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 3
59 1 84 ILE O 1 88 LYS H 1.800 . 2.300 2.224 2.224 2.224 . 0 0 "[ ]" 3
60 1 84 ILE O 1 88 LYS N 2.800 2.400 3.300 3.183 3.183 3.183 . 0 0 "[ ]" 3
61 1 85 ARG O 1 89 ARG H 1.800 . 2.300 2.316 2.316 2.316 0.016 1 0 "[ ]" 3
62 1 85 ARG O 1 89 ARG N 2.800 2.400 3.300 3.275 3.275 3.275 . 0 0 "[ ]" 3
63 1 86 PHE O 1 90 LEU H 1.800 . 2.300 2.377 2.377 2.377 0.077 1 0 "[ ]" 3
64 1 86 PHE O 1 90 LEU N 2.800 2.400 3.300 3.287 3.287 3.287 . 0 0 "[ ]" 3
65 1 87 LEU O 1 91 ASP H 1.800 . 2.300 2.196 2.196 2.196 . 0 0 "[ ]" 3
66 1 87 LEU O 1 91 ASP N 2.800 2.400 3.300 2.880 2.880 2.880 . 0 0 "[ ]" 3
67 1 89 ARG O 1 93 ASN H 1.800 . 2.300 2.247 2.247 2.247 . 0 0 "[ ]" 3
68 1 89 ARG O 1 93 ASN N 2.800 2.400 3.300 3.159 3.159 3.159 . 0 0 "[ ]" 3
69 1 90 LEU O 1 94 LEU H 1.800 . 2.300 2.331 2.331 2.331 0.031 1 0 "[ ]" 3
70 1 90 LEU O 1 94 LEU N 2.800 2.400 3.300 3.154 3.154 3.154 . 0 0 "[ ]" 3
71 1 92 ARG O 1 96 GLY H 1.800 . 2.300 2.434 2.434 2.434 0.134 1 0 "[ ]" 3
72 1 92 ARG O 1 96 GLY N 2.800 2.400 3.300 3.009 3.009 3.009 . 0 0 "[ ]" 3
73 1 33 VAL N 1 111 SER O 2.800 2.400 3.300 2.928 2.928 2.928 . 0 0 "[ ]" 3
74 1 33 VAL H 1 111 SER O 1.800 . 2.300 2.168 2.168 2.168 . 0 0 "[ ]" 3
75 1 113 LEU O 1 117 LEU H 1.800 . 2.300 2.152 2.152 2.152 . 0 0 "[ ]" 3
76 1 113 LEU O 1 117 LEU N 2.800 2.400 3.300 3.117 3.117 3.117 . 0 0 "[ ]" 3
77 1 114 GLU O 1 118 GLU H 1.800 . 2.300 2.393 2.393 2.393 0.093 1 0 "[ ]" 3
78 1 114 GLU O 1 118 GLU N 2.800 2.400 3.300 3.270 3.270 3.270 . 0 0 "[ ]" 3
79 1 115 ASN O 1 119 ARG H 1.800 . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 3
80 1 115 ASN O 1 119 ARG N 2.800 2.400 3.300 3.156 3.156 3.156 . 0 0 "[ ]" 3
81 1 116 PHE O 1 120 LEU H 1.800 . 2.300 2.310 2.310 2.310 0.010 1 0 "[ ]" 3
82 1 116 PHE O 1 120 LEU N 2.800 2.400 3.300 3.040 3.040 3.040 . 0 0 "[ ]" 3
83 1 117 LEU O 1 121 LYS H 1.800 . 2.300 2.215 2.215 2.215 . 0 0 "[ ]" 3
84 1 117 LEU O 1 121 LYS N 2.800 2.400 3.300 3.119 3.119 3.119 . 0 0 "[ ]" 3
85 1 118 GLU O 1 122 THR H 1.800 . 2.300 2.262 2.262 2.262 . 0 0 "[ ]" 3
86 1 118 GLU O 1 122 THR N 2.800 2.400 3.300 3.215 3.215 3.215 . 0 0 "[ ]" 3
87 1 119 ARG O 1 123 ILE H 1.800 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 3
88 1 119 ARG O 1 123 ILE N 2.800 2.400 3.300 3.117 3.117 3.117 . 0 0 "[ ]" 3
89 1 120 LEU O 1 124 MET H 1.800 . 2.300 2.241 2.241 2.241 . 0 0 "[ ]" 3
90 1 120 LEU O 1 124 MET N 2.800 2.400 3.300 3.174 3.174 3.174 . 0 0 "[ ]" 3
91 1 121 LYS O 1 125 ARG H 1.800 . 2.300 2.213 2.213 2.213 . 0 0 "[ ]" 3
92 1 121 LYS O 1 125 ARG N 2.800 2.400 3.300 3.179 3.179 3.179 . 0 0 "[ ]" 3
93 1 122 THR O 1 126 GLU H 1.800 . 2.300 2.237 2.237 2.237 . 0 0 "[ ]" 3
94 1 122 THR O 1 126 GLU N 2.800 2.400 3.300 3.087 3.087 3.087 . 0 0 "[ ]" 3
95 1 123 ILE O 1 127 LYS H 1.800 . 2.300 2.236 2.236 2.236 . 0 0 "[ ]" 3
96 1 123 ILE O 1 127 LYS N 2.800 2.400 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 3
97 1 124 MET O 1 128 TYR H 1.800 . 2.300 2.210 2.210 2.210 . 0 0 "[ ]" 3
98 1 124 MET O 1 128 TYR N 2.800 2.400 3.300 2.995 2.995 2.995 . 0 0 "[ ]" 3
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 10:24:18 AM GMT (wattos1)