NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573497 |
2mkr   |
19791 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mkr
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 1071
_Distance_constraint_stats_list.Viol_count 454
_Distance_constraint_stats_list.Viol_total 542.613
_Distance_constraint_stats_list.Viol_max 0.708
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0598
_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 HIS 0.010 0.003 12 0 "[ . 1 . 2]"
1 4 SER 0.011 0.003 12 0 "[ . 1 . 2]"
1 5 GLY 0.060 0.037 4 0 "[ . 1 . 2]"
1 6 ALA 0.116 0.014 17 0 "[ . 1 . 2]"
1 7 ALA 0.128 0.067 11 0 "[ . 1 . 2]"
1 8 ILE 0.240 0.059 10 0 "[ . 1 . 2]"
1 9 PHE 0.014 0.010 15 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.143 0.017 20 0 "[ . 1 . 2]"
1 12 VAL 0.109 0.059 10 0 "[ . 1 . 2]"
1 13 SER 0.038 0.034 1 0 "[ . 1 . 2]"
1 14 GLY 0.048 0.006 18 0 "[ . 1 . 2]"
1 15 ILE 0.001 0.001 9 0 "[ . 1 . 2]"
1 16 ILE 2.783 0.189 3 0 "[ . 1 . 2]"
1 17 ALA 0.024 0.005 17 0 "[ . 1 . 2]"
1 18 ILE 0.624 0.131 10 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.002 0.001 1 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.425 0.037 8 0 "[ . 1 . 2]"
1 23 SER 0.344 0.037 8 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.072 0.045 9 0 "[ . 1 . 2]"
1 26 GLU 0.079 0.017 9 0 "[ . 1 . 2]"
1 27 LEU 2.793 0.189 3 0 "[ . 1 . 2]"
1 28 THR 0.008 0.005 19 0 "[ . 1 . 2]"
1 29 TRP 0.048 0.006 18 0 "[ . 1 . 2]"
1 30 ARG 0.013 0.013 3 0 "[ . 1 . 2]"
1 31 SER 0.026 0.005 19 0 "[ . 1 . 2]"
1 32 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.006 0.005 19 0 "[ . 1 . 2]"
1 36 LYS 0.020 0.005 19 0 "[ . 1 . 2]"
1 37 VAL 0.013 0.013 3 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.003 0.002 1 0 "[ . 1 . 2]"
1 40 VAL 0.018 0.005 19 0 "[ . 1 . 2]"
1 41 VAL 0.168 0.086 1 0 "[ . 1 . 2]"
1 42 LEU 4.864 0.258 13 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 THR 0.168 0.086 1 0 "[ . 1 . 2]"
1 45 ILE 0.094 0.094 15 0 "[ . 1 . 2]"
1 46 ASP 0.025 0.008 15 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 2.531 0.145 5 0 "[ . 1 . 2]"
1 49 GLN 11.879 0.708 4 17 "[***+** ***** -*****]"
1 50 ALA 0.602 0.116 14 0 "[ . 1 . 2]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.100 0.061 13 0 "[ . 1 . 2]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 0.089 0.060 6 0 "[ . 1 . 2]"
1 60 LEU 0.799 0.154 14 0 "[ . 1 . 2]"
1 61 ARG 11.875 0.708 4 17 "[***+** ***** -*****]"
1 62 LEU 0.773 0.135 1 0 "[ . 1 . 2]"
1 63 ILE 0.256 0.119 5 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.029 0.008 15 0 "[ . 1 . 2]"
1 66 VAL 0.003 0.003 2 0 "[ . 1 . 2]"
1 67 ASP 0.019 0.006 6 0 "[ . 1 . 2]"
1 68 GLU 0.027 0.006 6 0 "[ . 1 . 2]"
1 69 SER 0.003 0.001 14 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.103 0.097 15 0 "[ . 1 . 2]"
1 72 ARG 0.097 0.097 15 0 "[ . 1 . 2]"
1 73 LYS 0.540 0.152 17 0 "[ . 1 . 2]"
1 74 ASP 0.336 0.138 15 0 "[ . 1 . 2]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.002 0.002 10 0 "[ . 1 . 2]"
1 78 ASN 0.607 0.145 17 0 "[ . 1 . 2]"
1 79 GLU 0.493 0.145 17 0 "[ . 1 . 2]"
1 80 VAL 0.205 0.152 17 0 "[ . 1 . 2]"
1 81 VAL 0.147 0.053 14 0 "[ . 1 . 2]"
1 82 PRO 0.011 0.011 9 0 "[ . 1 . 2]"
1 83 LYS 0.011 0.011 9 0 "[ . 1 . 2]"
1 84 PRO 0.003 0.003 2 0 "[ . 1 . 2]"
1 85 GLN 0.004 0.002 7 0 "[ . 1 . 2]"
1 86 ARG 0.207 0.119 5 0 "[ . 1 . 2]"
1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.010 0.004 2 0 "[ . 1 . 2]"
1 90 SER 0.017 0.003 13 0 "[ . 1 . 2]"
1 91 PHE 0.002 0.001 8 0 "[ . 1 . 2]"
1 92 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.128 0.073 9 0 "[ . 1 . 2]"
1 94 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.016 0.016 8 0 "[ . 1 . 2]"
1 96 VAL 0.182 0.073 9 0 "[ . 1 . 2]"
1 97 MET 0.195 0.154 14 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.001 0.001 2 0 "[ . 1 . 2]"
1 102 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 THR 0.116 0.116 7 0 "[ . 1 . 2]"
1 104 LEU 4.176 0.258 13 0 "[ . 1 . 2]"
1 105 GLN 0.748 0.122 15 0 "[ . 1 . 2]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ILE 1.425 0.147 5 0 "[ . 1 . 2]"
1 108 ILE 1.008 0.145 5 0 "[ . 1 . 2]"
1 109 SER 0.004 0.002 4 0 "[ . 1 . 2]"
1 110 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TYR 0.002 0.002 2 0 "[ . 1 . 2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ASP 0.004 0.002 4 0 "[ . 1 . 2]"
1 114 ALA 0.001 0.001 4 0 "[ . 1 . 2]"
1 115 ASP 0.003 0.002 2 0 "[ . 1 . 2]"
2 1 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ASP 0.001 0.001 2 0 "[ . 1 . 2]"
2 4 GLU 0.003 0.002 7 0 "[ . 1 . 2]"
2 5 SER 0.003 0.002 7 0 "[ . 1 . 2]"
2 6 TRP 0.016 0.004 2 0 "[ . 1 . 2]"
2 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 TYR 0.002 0.002 9 0 "[ . 1 . 2]"
2 9 ILE 0.190 0.061 13 0 "[ . 1 . 2]"
2 10 PHE 0.063 0.010 5 0 "[ . 1 . 2]"
2 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 THR 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 3 HIS HD2 1 18 ILE HB 4.000 . 4.000 3.286 2.364 3.930 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS HD2 1 18 ILE MG 5.000 . 5.000 3.626 2.556 4.152 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS HD2 1 20 GLU QG 6.000 . 6.000 2.960 1.958 4.392 . 0 0 "[ . 1 . 2]" 1
4 1 3 HIS HD2 1 103 THR MG 5.000 . 5.000 2.854 1.841 4.155 . 0 0 "[ . 1 . 2]" 1
5 1 3 HIS QB 1 4 SER H 5.000 . 5.000 3.729 2.583 3.873 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS HA 1 4 SER H 2.800 . 2.800 2.455 2.161 2.803 0.003 12 0 "[ . 1 . 2]" 1
7 1 4 SER QB 1 5 GLY H 4.000 . 4.000 2.632 2.007 3.103 . 0 0 "[ . 1 . 2]" 1
8 1 4 SER HA 1 5 GLY H 2.800 . 2.800 2.335 2.170 2.614 . 0 0 "[ . 1 . 2]" 1
9 1 4 SER QB 1 17 ALA MB 6.740 . 6.740 2.749 1.964 3.552 . 0 0 "[ . 1 . 2]" 1
10 1 4 SER HA 1 17 ALA MB 6.005 . 6.005 3.722 2.817 4.076 . 0 0 "[ . 1 . 2]" 1
11 1 4 SER HA 1 100 ILE MD 5.000 . 5.000 3.505 2.826 3.955 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER H 1 17 ALA HA 5.000 . 5.000 4.724 3.865 5.001 0.001 5 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 100 ILE MD 5.000 . 5.000 3.918 3.567 4.165 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER HA 1 15 ILE MG 6.005 . 6.005 4.199 3.942 4.598 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER QB 1 15 ILE MG 4.000 . 4.000 2.753 2.371 2.967 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLY H 1 17 ALA HA 4.000 . 4.000 3.952 3.593 4.005 0.005 17 0 "[ . 1 . 2]" 1
17 1 5 GLY H 1 16 ILE HA 5.000 . 5.000 4.733 4.516 4.916 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLY H 1 16 ILE HB 5.000 . 5.000 4.228 3.928 4.698 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLY H 1 17 ALA MB 6.000 . 6.000 4.597 3.893 4.910 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLY H 1 96 VAL MG1 6.000 . 6.000 4.487 3.995 4.977 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLY H 1 100 ILE MD 5.000 . 5.000 3.303 2.891 3.975 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLY QA 1 15 ILE MD 6.000 . 6.000 4.428 4.146 4.453 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLY QA 1 16 ILE MG 6.000 . 6.000 3.422 3.075 4.103 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLY QA 1 96 VAL MG1 5.000 . 5.000 2.170 1.763 2.602 0.037 4 0 "[ . 1 . 2]" 1
25 1 5 GLY QA 1 6 ALA H 4.000 . 4.000 2.195 2.128 2.258 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLY H 1 6 ALA H 5.000 . 5.000 4.297 4.121 4.381 . 0 0 "[ . 1 . 2]" 1
27 1 6 ALA H 1 6 ALA MB 3.363 . 3.363 2.154 2.082 2.230 . 0 0 "[ . 1 . 2]" 1
28 1 6 ALA H 1 6 ALA HA 2.800 . 2.800 2.805 2.797 2.814 0.014 17 0 "[ . 1 . 2]" 1
29 1 6 ALA H 1 7 ALA H 5.000 . 5.000 4.426 4.227 4.630 . 0 0 "[ . 1 . 2]" 1
30 1 6 ALA HA 1 15 ILE HB 6.000 . 6.000 5.058 4.664 5.389 . 0 0 "[ . 1 . 2]" 1
31 1 6 ALA HA 1 15 ILE HA 4.000 . 4.000 2.377 2.042 2.718 . 0 0 "[ . 1 . 2]" 1
32 1 6 ALA MB 1 15 ILE HA 6.005 . 6.005 3.933 3.577 4.271 . 0 0 "[ . 1 . 2]" 1
33 1 6 ALA H 1 15 ILE HA 5.000 . 5.000 4.705 4.421 5.001 0.001 9 0 "[ . 1 . 2]" 1
34 1 6 ALA H 1 16 ILE H 5.000 . 5.000 4.760 4.577 5.002 0.002 2 0 "[ . 1 . 2]" 1
35 1 6 ALA H 1 96 VAL MG1 4.000 . 4.000 2.421 1.871 3.153 . 0 0 "[ . 1 . 2]" 1
36 1 6 ALA HA 1 15 ILE QG 5.000 . 5.000 4.244 3.935 4.456 . 0 0 "[ . 1 . 2]" 1
37 1 6 ALA HA 1 16 ILE HB 6.000 . 6.000 5.012 4.577 5.281 . 0 0 "[ . 1 . 2]" 1
38 1 6 ALA HA 1 7 ALA H 2.800 . 2.800 2.180 2.141 2.247 . 0 0 "[ . 1 . 2]" 1
39 1 6 ALA MB 1 7 ALA H 4.804 . 4.804 3.262 2.736 3.535 . 0 0 "[ . 1 . 2]" 1
40 1 7 ALA H 1 15 ILE MD 4.804 . 4.804 3.383 3.086 3.599 . 0 0 "[ . 1 . 2]" 1
41 1 7 ALA H 1 15 ILE HA 4.000 . 4.000 2.625 2.232 3.156 . 0 0 "[ . 1 . 2]" 1
42 1 7 ALA MB 1 16 ILE MD 7.211 . 7.211 2.100 1.733 2.432 0.067 11 0 "[ . 1 . 2]" 1
43 1 7 ALA H 1 15 ILE QG 6.000 . 6.000 5.077 4.849 5.246 . 0 0 "[ . 1 . 2]" 1
44 1 7 ALA H 1 16 ILE HB 5.000 . 5.000 3.756 3.262 4.573 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA H 1 16 ILE H 4.000 . 4.000 3.139 2.547 4.002 0.002 10 0 "[ . 1 . 2]" 1
46 1 7 ALA H 1 29 TRP HD1 5.000 . 5.000 3.943 3.525 4.395 . 0 0 "[ . 1 . 2]" 1
47 1 7 ALA MB 1 16 ILE HB 4.000 . 4.000 2.022 1.810 2.252 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA MB 1 16 ILE QG 5.000 . 5.000 3.439 2.615 3.711 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA MB 1 16 ILE MG 4.000 . 4.000 2.730 2.576 2.783 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA MB 1 89 PHE QB 5.000 . 5.000 2.906 2.273 3.521 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA MB 1 91 PHE HA 6.000 . 6.000 4.651 4.212 4.996 . 0 0 "[ . 1 . 2]" 1
52 1 7 ALA HA 1 8 ILE H 2.800 . 2.800 2.176 2.143 2.332 . 0 0 "[ . 1 . 2]" 1
53 1 8 ILE H 1 8 ILE HB 4.000 . 4.000 2.667 2.611 2.803 . 0 0 "[ . 1 . 2]" 1
54 1 8 ILE H 1 8 ILE QG 4.300 2.100 4.300 2.986 2.377 3.180 . 0 0 "[ . 1 . 2]" 1
55 1 8 ILE MG 1 11 LYS HA 4.804 . 4.804 2.699 2.480 3.244 . 0 0 "[ . 1 . 2]" 1
56 1 8 ILE HA 1 13 SER HA 5.000 . 5.000 2.922 1.962 3.316 . 0 0 "[ . 1 . 2]" 1
57 1 8 ILE QG 1 13 SER HA 5.000 . 5.000 2.180 1.959 2.346 . 0 0 "[ . 1 . 2]" 1
58 1 8 ILE MG 1 13 SER HA 6.005 . 6.005 2.483 2.202 2.717 . 0 0 "[ . 1 . 2]" 1
59 1 8 ILE HA 1 14 GLY H 4.000 . 4.000 2.819 2.610 3.111 . 0 0 "[ . 1 . 2]" 1
60 1 8 ILE H 1 90 SER H 4.000 . 4.000 3.320 2.942 3.679 . 0 0 "[ . 1 . 2]" 1
61 1 8 ILE H 1 90 SER QB 5.000 . 5.000 3.472 3.096 4.157 . 0 0 "[ . 1 . 2]" 1
62 1 8 ILE H 1 91 PHE HA 6.000 . 6.000 3.515 2.975 4.301 . 0 0 "[ . 1 . 2]" 1
63 1 8 ILE MD 1 13 SER QB 6.000 . 6.000 4.127 2.993 4.453 . 0 0 "[ . 1 . 2]" 1
64 1 8 ILE MD 1 14 GLY H 5.000 . 5.000 4.162 4.135 4.170 . 0 0 "[ . 1 . 2]" 1
65 1 8 ILE HA 1 9 PHE H 2.800 . 2.800 2.153 2.135 2.189 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE HB 1 9 PHE H 5.000 . 5.000 4.157 3.962 4.356 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE QG 1 9 PHE H 5.000 . 5.000 4.318 4.170 4.415 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE MG 1 9 PHE H 4.804 . 4.804 2.584 2.130 3.062 . 0 0 "[ . 1 . 2]" 1
69 1 9 PHE H 1 13 SER HA 5.000 . 5.000 4.428 3.622 4.957 . 0 0 "[ . 1 . 2]" 1
70 1 9 PHE HA 1 89 PHE HA 6.000 . 6.000 3.466 2.901 3.861 . 0 0 "[ . 1 . 2]" 1
71 1 9 PHE HA 1 89 PHE QD 6.000 . 6.000 3.552 2.392 5.333 . 0 0 "[ . 1 . 2]" 1
72 1 9 PHE H 1 12 VAL HB 5.000 . 5.000 3.379 2.928 3.934 . 0 0 "[ . 1 . 2]" 1
73 1 9 PHE H 1 12 VAL H 4.000 . 4.000 3.242 2.821 4.002 0.002 20 0 "[ . 1 . 2]" 1
74 1 9 PHE H 1 10 GLU H 5.000 . 5.000 4.331 3.987 4.506 . 0 0 "[ . 1 . 2]" 1
75 1 9 PHE HA 1 10 GLU H 4.000 . 4.000 2.168 2.138 2.206 . 0 0 "[ . 1 . 2]" 1
76 1 9 PHE QB 1 10 GLU H 6.000 . 6.000 3.698 3.283 3.926 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLU H 1 10 GLU QG 4.000 . 4.000 3.014 2.538 3.573 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLU H 1 11 LYS H 4.000 . 4.000 2.783 2.629 3.403 . 0 0 "[ . 1 . 2]" 1
79 1 9 PHE H 1 11 LYS H 5.000 . 5.000 4.442 3.442 5.010 0.010 15 0 "[ . 1 . 2]" 1
80 1 10 GLU HA 1 11 LYS H 4.000 . 4.000 2.884 2.407 3.570 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLU QG 1 11 LYS H 5.000 . 5.000 4.363 3.513 4.483 . 0 0 "[ . 1 . 2]" 1
82 1 11 LYS H 1 11 LYS QG 4.490 . 4.490 3.207 2.563 3.966 . 0 0 "[ . 1 . 2]" 1
83 1 11 LYS H 1 11 LYS QD 5.612 . 5.612 3.904 2.524 4.956 . 0 0 "[ . 1 . 2]" 1
84 1 11 LYS H 1 11 LYS HA 2.800 . 2.800 2.346 2.273 2.791 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE HB 1 11 LYS H 5.000 . 5.000 4.967 4.209 5.017 0.017 20 0 "[ . 1 . 2]" 1
86 1 8 ILE MG 1 11 LYS H 4.000 . 4.000 3.047 2.172 3.261 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE MG 1 11 LYS QG 6.700 . 6.700 4.377 3.868 4.855 . 0 0 "[ . 1 . 2]" 1
88 1 11 LYS QG 1 12 VAL H 5.612 . 5.612 4.396 2.188 4.900 . 0 0 "[ . 1 . 2]" 1
89 1 11 LYS QB 1 12 VAL H 5.000 . 5.000 3.716 2.334 4.037 . 0 0 "[ . 1 . 2]" 1
90 1 11 LYS HA 1 12 VAL H 4.000 . 4.000 2.979 2.828 3.574 . 0 0 "[ . 1 . 2]" 1
91 1 11 LYS H 1 12 VAL H 4.000 . 4.000 2.598 1.868 2.900 . 0 0 "[ . 1 . 2]" 1
92 1 11 LYS QD 1 12 VAL H 5.612 . 5.612 4.555 3.634 4.912 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL H 1 12 VAL HB 2.800 . 2.800 2.704 2.571 2.793 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL H 1 12 VAL MG2 4.804 . 4.804 2.712 2.080 3.008 . 0 0 "[ . 1 . 2]" 1
95 1 12 VAL H 1 12 VAL MG1 4.804 . 4.804 3.872 3.767 3.918 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL H 1 13 SER H 5.000 . 5.000 4.366 4.252 4.571 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL MG2 1 13 SER H 4.804 . 4.804 4.013 4.006 4.023 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL HA 1 13 SER H 2.800 . 2.800 2.157 2.126 2.200 . 0 0 "[ . 1 . 2]" 1
99 1 12 VAL MG1 1 13 SER H 4.804 . 4.804 2.460 2.135 2.763 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL QG 1 31 SER HA 6.005 . 6.005 3.141 2.765 3.472 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL MG2 1 31 SER QB 6.005 . 6.005 4.457 4.455 4.461 . 0 0 "[ . 1 . 2]" 1
102 1 12 VAL MG2 1 36 LYS QD 7.206 . 7.206 3.947 2.505 5.346 . 0 0 "[ . 1 . 2]" 1
103 1 8 ILE HA 1 12 VAL H 5.000 . 5.000 4.211 3.893 5.059 0.059 10 0 "[ . 1 . 2]" 1
104 1 8 ILE MG 1 12 VAL H 4.000 . 4.000 2.202 1.951 3.331 . 0 0 "[ . 1 . 2]" 1
105 1 9 PHE HA 1 12 VAL H 6.000 . 6.000 4.389 4.155 5.459 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL H 1 29 TRP HZ2 6.000 . 6.000 3.906 3.437 4.769 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE MD 1 13 SER HA 6.005 . 6.005 3.706 2.868 4.003 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL HB 1 13 SER H 5.000 . 5.000 4.108 3.943 4.305 . 0 0 "[ . 1 . 2]" 1
109 1 13 SER H 1 13 SER QB 3.600 2.257 3.600 2.669 2.223 2.909 0.034 1 0 "[ . 1 . 2]" 1
110 1 13 SER H 1 14 GLY H 5.000 . 5.000 4.412 4.277 4.533 . 0 0 "[ . 1 . 2]" 1
111 1 13 SER QB 1 14 GLY H 4.000 . 4.000 3.400 3.201 3.563 . 0 0 "[ . 1 . 2]" 1
112 1 8 ILE QG 1 13 SER H 6.700 . 6.700 4.511 4.201 4.641 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE MG 1 13 SER H 7.200 . 7.200 3.355 3.161 3.600 . 0 0 "[ . 1 . 2]" 1
114 1 7 ALA H 1 14 GLY H 5.000 . 5.000 3.918 3.106 4.404 . 0 0 "[ . 1 . 2]" 1
115 1 13 SER HA 1 14 GLY H 2.800 . 2.800 2.151 2.142 2.169 . 0 0 "[ . 1 . 2]" 1
116 1 14 GLY QA 1 31 SER HA 5.000 . 5.000 2.124 1.900 2.397 . 0 0 "[ . 1 . 2]" 1
117 1 8 ILE QG 1 14 GLY H 4.000 . 4.000 2.979 2.625 3.301 . 0 0 "[ . 1 . 2]" 1
118 1 8 ILE MG 1 14 GLY H 5.000 . 5.000 3.876 3.556 4.167 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLY H 1 29 TRP HD1 5.000 . 5.000 4.933 4.355 5.006 0.006 18 0 "[ . 1 . 2]" 1
120 1 14 GLY H 1 29 TRP HZ2 5.000 . 5.000 3.668 3.049 4.281 . 0 0 "[ . 1 . 2]" 1
121 1 6 ALA MB 1 15 ILE MD 8.653 . 8.653 2.608 2.054 3.019 . 0 0 "[ . 1 . 2]" 1
122 1 6 ALA MB 1 15 ILE MG 8.653 . 8.653 3.843 3.416 4.188 . 0 0 "[ . 1 . 2]" 1
123 1 6 ALA HA 1 15 ILE MG 6.005 . 6.005 3.047 2.632 3.475 . 0 0 "[ . 1 . 2]" 1
124 1 6 ALA HA 1 15 ILE MD 6.005 . 6.005 2.098 1.932 2.364 . 0 0 "[ . 1 . 2]" 1
125 1 14 GLY QA 1 15 ILE H 4.000 . 4.000 2.270 2.258 2.280 . 0 0 "[ . 1 . 2]" 1
126 1 15 ILE MD 1 15 ILE MG 3.606 . 3.606 2.054 1.884 2.227 . 0 0 "[ . 1 . 2]" 1
127 1 15 ILE H 1 15 ILE QG 5.000 . 5.000 2.390 2.305 2.600 . 0 0 "[ . 1 . 2]" 1
128 1 15 ILE H 1 15 ILE HB 4.000 . 4.000 2.714 2.680 2.774 . 0 0 "[ . 1 . 2]" 1
129 1 15 ILE MD 1 32 THR HA 4.804 . 4.804 4.002 4.001 4.005 . 0 0 "[ . 1 . 2]" 1
130 1 15 ILE H 1 29 TRP HA 5.000 . 5.000 4.755 4.051 4.965 . 0 0 "[ . 1 . 2]" 1
131 1 15 ILE H 1 29 TRP HD1 5.000 . 5.000 4.198 3.314 4.770 . 0 0 "[ . 1 . 2]" 1
132 1 15 ILE H 1 30 ARG QB 6.000 . 6.000 4.275 3.295 4.686 . 0 0 "[ . 1 . 2]" 1
133 1 15 ILE H 1 32 THR HA 6.000 . 6.000 4.058 3.674 4.697 . 0 0 "[ . 1 . 2]" 1
134 1 15 ILE H 1 32 THR H 5.000 . 5.000 4.234 3.961 4.632 . 0 0 "[ . 1 . 2]" 1
135 1 7 ALA MB 1 15 ILE HA 6.000 . 6.000 4.023 3.828 4.310 . 0 0 "[ . 1 . 2]" 1
136 1 5 GLY H 1 16 ILE H 4.000 . 4.000 2.971 2.684 3.186 . 0 0 "[ . 1 . 2]" 1
137 1 6 ALA HA 1 16 ILE H 4.000 . 4.000 3.402 3.127 3.624 . 0 0 "[ . 1 . 2]" 1
138 1 15 ILE HA 1 16 ILE H 2.800 . 2.800 2.180 2.142 2.206 . 0 0 "[ . 1 . 2]" 1
139 1 16 ILE QG 1 16 ILE MG 3.002 . 3.002 2.087 1.998 2.241 . 0 0 "[ . 1 . 2]" 1
140 1 16 ILE H 1 16 ILE QG 5.000 . 5.000 3.942 3.520 4.055 . 0 0 "[ . 1 . 2]" 1
141 1 16 ILE MG 1 100 ILE MD 4.000 . 4.000 2.035 1.888 2.187 . 0 0 "[ . 1 . 2]" 1
142 1 7 ALA MB 1 16 ILE H 6.000 . 6.000 3.228 3.008 3.491 . 0 0 "[ . 1 . 2]" 1
143 1 16 ILE H 1 29 TRP QB 6.000 . 6.000 5.346 5.313 5.351 . 0 0 "[ . 1 . 2]" 1
144 1 16 ILE QG 1 27 LEU QD 6.000 . 6.000 1.896 1.637 2.103 0.163 5 0 "[ . 1 . 2]" 1
145 1 4 SER HA 1 16 ILE MG 6.000 . 6.000 2.955 2.677 3.594 . 0 0 "[ . 1 . 2]" 1
146 1 16 ILE MG 1 27 LEU HA 6.000 . 6.000 5.007 4.995 5.012 . 0 0 "[ . 1 . 2]" 1
147 1 16 ILE MG 1 27 LEU QD 5.000 . 5.000 2.588 1.791 3.031 0.009 2 0 "[ . 1 . 2]" 1
148 1 16 ILE MG 1 27 LEU HG 5.000 . 5.000 3.247 2.711 4.059 . 0 0 "[ . 1 . 2]" 1
149 1 16 ILE MD 1 27 LEU HG 6.000 . 6.000 3.254 2.638 4.643 . 0 0 "[ . 1 . 2]" 1
150 1 16 ILE MD 1 27 LEU QD 4.000 . 4.000 1.763 1.611 2.459 0.189 3 0 "[ . 1 . 2]" 1
151 1 16 ILE MD 1 89 PHE QB 6.700 . 6.700 3.857 3.202 4.455 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE MD 1 89 PHE QD 5.000 . 5.000 3.331 2.410 3.715 . 0 0 "[ . 1 . 2]" 1
153 1 16 ILE MD 1 100 ILE MG 6.000 . 6.000 3.679 3.371 3.949 . 0 0 "[ . 1 . 2]" 1
154 1 4 SER QB 1 17 ALA HA 5.612 . 5.612 2.749 2.138 3.467 . 0 0 "[ . 1 . 2]" 1
155 1 4 SER HA 1 17 ALA HA 4.000 . 4.000 2.408 1.999 2.613 . 0 0 "[ . 1 . 2]" 1
156 1 16 ILE HB 1 17 ALA H 5.000 . 5.000 4.269 4.136 4.485 . 0 0 "[ . 1 . 2]" 1
157 1 16 ILE MD 1 17 ALA H 6.005 . 6.005 4.314 4.013 4.948 . 0 0 "[ . 1 . 2]" 1
158 1 16 ILE HA 1 17 ALA H 2.800 . 2.800 2.233 2.142 2.291 . 0 0 "[ . 1 . 2]" 1
159 1 17 ALA H 1 18 ILE H 5.000 . 5.000 4.187 4.057 4.346 . 0 0 "[ . 1 . 2]" 1
160 1 17 ALA HA 1 18 ILE H 2.800 . 2.800 2.147 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
161 1 17 ALA H 1 28 THR H 4.000 . 4.000 3.114 2.939 3.453 . 0 0 "[ . 1 . 2]" 1
162 1 17 ALA H 1 29 TRP HA 4.000 . 4.000 3.441 3.144 3.685 . 0 0 "[ . 1 . 2]" 1
163 1 17 ALA H 1 27 LEU QD 5.000 . 5.000 3.550 2.969 3.719 . 0 0 "[ . 1 . 2]" 1
164 1 17 ALA H 1 28 THR HB 5.000 . 5.000 3.402 3.058 4.469 . 0 0 "[ . 1 . 2]" 1
165 1 17 ALA H 1 29 TRP HD1 6.000 . 6.000 5.171 4.923 5.361 . 0 0 "[ . 1 . 2]" 1
166 1 17 ALA HA 1 100 ILE MD 6.000 . 6.000 4.843 4.014 4.997 . 0 0 "[ . 1 . 2]" 1
167 1 3 HIS HA 1 18 ILE MG 7.206 . 7.206 5.535 4.672 6.001 . 0 0 "[ . 1 . 2]" 1
168 1 3 HIS HA 1 18 ILE QG 6.735 . 6.735 4.641 3.906 5.136 . 0 0 "[ . 1 . 2]" 1
169 1 3 HIS HA 1 18 ILE HB 6.000 . 6.000 4.361 3.363 4.894 . 0 0 "[ . 1 . 2]" 1
170 1 3 HIS QB 1 18 ILE HB 6.000 . 6.000 2.622 1.993 3.965 . 0 0 "[ . 1 . 2]" 1
171 1 3 HIS HA 1 18 ILE MD 6.005 . 6.005 4.183 3.456 4.830 . 0 0 "[ . 1 . 2]" 1
172 1 4 SER HA 1 18 ILE H 6.000 . 6.000 3.357 2.936 3.664 . 0 0 "[ . 1 . 2]" 1
173 1 17 ALA MB 1 18 ILE H 4.804 . 4.804 3.182 2.932 3.316 . 0 0 "[ . 1 . 2]" 1
174 1 18 ILE H 1 18 ILE HB 4.000 . 4.000 2.624 2.614 2.639 . 0 0 "[ . 1 . 2]" 1
175 1 18 ILE H 1 18 ILE QG 4.490 . 4.490 2.203 2.144 2.333 . 0 0 "[ . 1 . 2]" 1
176 1 18 ILE H 1 18 ILE MD 4.804 . 4.804 3.717 3.672 3.803 . 0 0 "[ . 1 . 2]" 1
177 1 18 ILE MD 1 27 LEU QD . . 5.769 2.899 2.028 3.428 . 0 0 "[ . 1 . 2]" 1
178 1 18 ILE MD 1 27 LEU HG 6.400 2.195 6.400 4.375 3.570 4.846 . 0 0 "[ . 1 . 2]" 1
179 1 18 ILE MD 1 100 ILE MD 5.000 . 5.000 2.936 2.223 3.400 . 0 0 "[ . 1 . 2]" 1
180 1 18 ILE MD 1 100 ILE HA 4.000 . 4.000 3.074 2.597 3.331 . 0 0 "[ . 1 . 2]" 1
181 1 3 HIS HA 1 18 ILE H 5.000 . 5.000 4.539 3.921 5.000 . 0 0 "[ . 1 . 2]" 1
182 1 3 HIS QB 1 18 ILE H 5.000 . 5.000 3.048 2.600 3.995 . 0 0 "[ . 1 . 2]" 1
183 1 4 SER QB 1 18 ILE H 5.000 . 5.000 4.055 3.556 4.457 . 0 0 "[ . 1 . 2]" 1
184 1 18 ILE H 1 100 ILE MD 6.000 . 6.000 4.846 4.298 4.998 . 0 0 "[ . 1 . 2]" 1
185 1 18 ILE HA 1 27 LEU HG 5.000 . 5.000 3.689 2.452 5.001 0.001 5 0 "[ . 1 . 2]" 1
186 1 18 ILE MG 1 27 LEU HA 5.000 . 5.000 3.285 2.925 3.650 . 0 0 "[ . 1 . 2]" 1
187 1 18 ILE MD 1 27 LEU HA 6.000 . 6.000 4.794 4.314 5.003 . 0 0 "[ . 1 . 2]" 1
188 1 18 ILE MG 1 107 ILE MD 4.000 . 4.000 2.055 1.752 2.355 0.048 19 0 "[ . 1 . 2]" 1
189 1 18 ILE H 1 19 ASN H 6.000 . 6.000 4.527 4.493 4.546 . 0 0 "[ . 1 . 2]" 1
190 1 18 ILE QG 1 19 ASN H 5.612 . 5.612 4.213 4.204 4.231 . 0 0 "[ . 1 . 2]" 1
191 1 18 ILE HB 1 19 ASN H 5.000 . 5.000 3.989 3.944 4.022 . 0 0 "[ . 1 . 2]" 1
192 1 18 ILE MG 1 19 ASN H 4.804 . 4.804 2.409 2.251 2.496 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE MD 1 19 ASN H 6.000 . 6.000 4.998 4.989 5.000 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE HA 1 19 ASN H 2.800 . 2.800 2.176 2.162 2.188 . 0 0 "[ . 1 . 2]" 1
195 1 19 ASN H 1 20 GLU H 5.000 . 5.000 4.215 3.996 4.349 . 0 0 "[ . 1 . 2]" 1
196 1 19 ASN QB 1 22 VAL MG1 7.206 . 7.206 3.378 2.317 4.325 . 0 0 "[ . 1 . 2]" 1
197 1 19 ASN H 1 26 GLU H 5.000 . 5.000 3.052 2.528 3.807 . 0 0 "[ . 1 . 2]" 1
198 1 19 ASN H 1 27 LEU QB 6.000 . 6.000 4.618 4.126 4.955 . 0 0 "[ . 1 . 2]" 1
199 1 18 ILE MG 1 20 GLU QG 7.206 . 7.206 2.675 1.956 3.952 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASN QB 1 20 GLU H 5.000 . 5.000 3.642 3.372 3.922 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN HA 1 20 GLU H 2.800 . 2.800 2.160 2.139 2.202 . 0 0 "[ . 1 . 2]" 1
202 1 20 GLU H 1 20 GLU QG 5.000 . 5.000 2.727 1.940 3.273 . 0 0 "[ . 1 . 2]" 1
203 1 20 GLU H 1 22 VAL H 5.000 . 5.000 4.761 4.049 5.001 0.001 1 0 "[ . 1 . 2]" 1
204 1 20 GLU QG 1 25 ALA MB 7.206 . 7.206 3.551 1.941 5.202 . 0 0 "[ . 1 . 2]" 1
205 1 20 GLU QG 1 107 ILE MD 5.000 . 5.000 3.302 1.962 3.711 . 0 0 "[ . 1 . 2]" 1
206 1 20 GLU QB 1 25 ALA MB 6.000 . 6.000 4.196 2.564 4.455 . 0 0 "[ . 1 . 2]" 1
207 1 20 GLU QB 1 21 ASP H 5.000 . 5.000 3.673 2.936 4.028 . 0 0 "[ . 1 . 2]" 1
208 1 20 GLU H 1 21 ASP H 4.000 . 4.000 2.684 2.106 2.919 . 0 0 "[ . 1 . 2]" 1
209 1 20 GLU HA 1 21 ASP H 5.000 . 5.000 3.019 2.875 3.464 . 0 0 "[ . 1 . 2]" 1
210 1 21 ASP QB 1 22 VAL H 5.000 . 5.000 2.953 2.633 4.009 . 0 0 "[ . 1 . 2]" 1
211 1 21 ASP H 1 22 VAL H 4.000 . 4.000 2.368 2.109 2.779 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLU HA 1 22 VAL H 4.000 . 4.000 3.714 3.127 3.971 . 0 0 "[ . 1 . 2]" 1
213 1 21 ASP HA 1 22 VAL H 4.000 . 4.000 3.473 3.016 3.526 . 0 0 "[ . 1 . 2]" 1
214 1 22 VAL H 1 22 VAL MG1 3.363 . 3.363 2.125 1.863 2.793 . 0 0 "[ . 1 . 2]" 1
215 1 22 VAL H 1 22 VAL HB 4.000 . 4.000 2.914 2.708 3.632 . 0 0 "[ . 1 . 2]" 1
216 1 22 VAL H 1 22 VAL MG2 4.804 . 4.804 3.660 2.001 3.983 . 0 0 "[ . 1 . 2]" 1
217 1 22 VAL MG1 1 23 SER H 4.804 . 4.804 3.523 1.823 3.756 . 0 0 "[ . 1 . 2]" 1
218 1 22 VAL MG2 1 23 SER H 6.005 . 6.005 2.089 1.844 3.275 . 0 0 "[ . 1 . 2]" 1
219 1 22 VAL H 1 23 SER H 5.000 . 5.000 4.452 2.979 4.584 . 0 0 "[ . 1 . 2]" 1
220 1 22 VAL MG1 1 25 ALA HA 6.005 . 6.005 2.387 1.829 4.282 . 0 0 "[ . 1 . 2]" 1
221 1 22 VAL MG2 1 25 ALA HA 6.005 . 6.005 4.194 1.831 5.017 . 0 0 "[ . 1 . 2]" 1
222 1 22 VAL H 1 25 ALA MB 7.206 . 7.206 4.626 3.723 5.270 . 0 0 "[ . 1 . 2]" 1
223 1 22 VAL H 1 25 ALA HA 5.000 . 5.000 3.628 2.882 4.363 . 0 0 "[ . 1 . 2]" 1
224 1 22 VAL H 1 26 GLU H 5.000 . 5.000 4.948 4.615 5.017 0.017 9 0 "[ . 1 . 2]" 1
225 1 22 VAL MG1 1 25 ALA MB 7.206 . 7.206 3.667 3.176 5.004 . 0 0 "[ . 1 . 2]" 1
226 1 22 VAL HA 1 23 SER H 4.000 . 4.000 2.374 2.250 3.581 . 0 0 "[ . 1 . 2]" 1
227 1 22 VAL HB 1 23 SER H 4.000 . 4.000 3.799 1.960 4.037 0.037 8 0 "[ . 1 . 2]" 1
228 1 24 PRO QG 1 41 VAL MG2 6.005 . 6.005 4.265 3.154 4.459 . 0 0 "[ . 1 . 2]" 1
229 1 24 PRO QB 1 41 VAL MG2 6.005 . 6.005 3.522 1.908 4.320 . 0 0 "[ . 1 . 2]" 1
230 1 20 GLU HA 1 25 ALA HA 5.000 . 5.000 3.416 2.152 3.726 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLU HA 1 25 ALA MB 6.005 . 6.005 2.862 1.973 3.739 . 0 0 "[ . 1 . 2]" 1
232 1 24 PRO HA 1 25 ALA H 4.000 . 4.000 3.293 2.312 3.533 . 0 0 "[ . 1 . 2]" 1
233 1 24 PRO QB 1 25 ALA H 5.000 . 5.000 3.434 2.752 3.897 . 0 0 "[ . 1 . 2]" 1
234 1 25 ALA MB 1 107 ILE MD 7.211 . 7.211 2.989 2.196 3.835 . 0 0 "[ . 1 . 2]" 1
235 1 22 VAL QG 1 25 ALA H 6.000 . 6.000 2.199 1.813 4.002 . 0 0 "[ . 1 . 2]" 1
236 1 25 ALA H 1 41 VAL QG 6.000 . 6.000 4.303 3.859 4.452 . 0 0 "[ . 1 . 2]" 1
237 1 25 ALA H 1 111 TYR QE 5.000 . 5.000 4.249 2.807 4.470 . 0 0 "[ . 1 . 2]" 1
238 1 22 VAL HB 1 25 ALA HA 6.000 . 6.000 4.875 4.383 5.954 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE MG 1 25 ALA MB 6.000 . 6.000 3.220 3.022 3.573 . 0 0 "[ . 1 . 2]" 1
240 1 19 ASN QB 1 26 GLU H 5.000 . 5.000 2.948 2.136 3.524 . 0 0 "[ . 1 . 2]" 1
241 1 22 VAL MG1 1 26 GLU QG 7.206 . 7.206 3.376 1.886 5.344 . 0 0 "[ . 1 . 2]" 1
242 1 25 ALA MB 1 26 GLU H 4.804 . 4.804 2.691 1.972 3.231 . 0 0 "[ . 1 . 2]" 1
243 1 25 ALA HA 1 26 GLU H 2.800 . 2.800 2.331 2.134 2.689 . 0 0 "[ . 1 . 2]" 1
244 1 25 ALA H 1 26 GLU H 5.000 . 5.000 4.362 3.849 4.610 . 0 0 "[ . 1 . 2]" 1
245 1 26 GLU H 1 26 GLU QG 5.000 . 5.000 3.403 2.134 4.323 . 0 0 "[ . 1 . 2]" 1
246 1 26 GLU H 1 27 LEU H 6.000 . 6.000 4.351 4.124 4.488 . 0 0 "[ . 1 . 2]" 1
247 1 26 GLU QB 1 39 THR MG 7.206 . 7.206 2.639 1.976 3.557 . 0 0 "[ . 1 . 2]" 1
248 1 26 GLU HA 1 41 VAL HA 5.000 . 5.000 2.169 1.983 2.412 . 0 0 "[ . 1 . 2]" 1
249 1 26 GLU QB 1 41 VAL MG2 6.005 . 6.005 3.798 2.774 4.456 . 0 0 "[ . 1 . 2]" 1
250 1 20 GLU HA 1 26 GLU H 5.000 . 5.000 4.382 3.736 4.719 . 0 0 "[ . 1 . 2]" 1
251 1 26 GLU HA 1 42 LEU QD 6.000 . 6.000 3.906 3.283 4.435 . 0 0 "[ . 1 . 2]" 1
252 1 26 GLU QG 1 41 VAL HA 5.000 . 5.000 2.747 1.952 4.456 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE HA 1 27 LEU QB 6.000 . 6.000 3.614 3.079 4.139 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE HA 1 27 LEU HA 5.000 . 5.000 2.235 2.009 2.407 . 0 0 "[ . 1 . 2]" 1
255 1 19 ASN H 1 27 LEU HA 4.000 . 4.000 3.242 2.530 3.541 . 0 0 "[ . 1 . 2]" 1
256 1 26 GLU QB 1 27 LEU H 4.000 . 4.000 2.828 2.295 3.562 . 0 0 "[ . 1 . 2]" 1
257 1 27 LEU QB 1 27 LEU HG 2.800 . 2.800 2.460 2.164 2.525 . 0 0 "[ . 1 . 2]" 1
258 1 27 LEU H 1 27 LEU QD 4.804 . 4.804 3.571 3.560 3.580 . 0 0 "[ . 1 . 2]" 1
259 1 27 LEU HA 1 40 VAL H 5.000 . 5.000 4.805 4.500 5.003 0.003 10 0 "[ . 1 . 2]" 1
260 1 27 LEU H 1 40 VAL H . . 4.000 3.040 2.727 3.510 . 0 0 "[ . 1 . 2]" 1
261 1 27 LEU H 1 39 THR HA 5.000 . 5.000 4.676 4.259 5.002 0.002 1 0 "[ . 1 . 2]" 1
262 1 27 LEU H 1 39 THR MG 5.000 . 5.000 3.348 2.862 3.822 . 0 0 "[ . 1 . 2]" 1
263 1 27 LEU H 1 42 LEU H 5.000 . 5.000 3.584 2.923 3.964 . 0 0 "[ . 1 . 2]" 1
264 1 18 ILE QG 1 27 LEU HA 6.000 . 6.000 3.311 2.803 3.615 . 0 0 "[ . 1 . 2]" 1
265 1 27 LEU HA 1 42 LEU QD 6.000 . 6.000 3.608 3.135 3.915 . 0 0 "[ . 1 . 2]" 1
266 1 27 LEU QB 1 42 LEU QD 6.000 . 6.000 2.129 1.741 2.734 0.059 3 0 "[ . 1 . 2]" 1
267 1 17 ALA MB 1 28 THR HB 7.206 . 7.206 2.761 2.427 3.966 . 0 0 "[ . 1 . 2]" 1
268 1 18 ILE HA 1 28 THR H 5.000 . 5.000 3.229 2.924 3.541 . 0 0 "[ . 1 . 2]" 1
269 1 27 LEU H 1 28 THR H 5.000 . 5.000 4.258 4.151 4.507 . 0 0 "[ . 1 . 2]" 1
270 1 27 LEU QD 1 28 THR H 6.005 . 6.005 3.337 2.505 3.814 . 0 0 "[ . 1 . 2]" 1
271 1 27 LEU HA 1 28 THR H 2.800 . 2.800 2.156 2.143 2.261 . 0 0 "[ . 1 . 2]" 1
272 1 28 THR H 1 28 THR HB 4.000 . 4.000 2.777 2.581 3.457 . 0 0 "[ . 1 . 2]" 1
273 1 28 THR HB 1 29 TRP H 6.000 . 6.000 3.737 3.550 3.947 . 0 0 "[ . 1 . 2]" 1
274 1 28 THR HB 1 39 THR HA 6.000 . 6.000 5.387 4.975 5.737 . 0 0 "[ . 1 . 2]" 1
275 1 28 THR MG 1 39 THR MG 5.769 . 5.769 2.742 2.199 3.147 . 0 0 "[ . 1 . 2]" 1
276 1 28 THR HA 1 39 THR MG 6.005 . 6.005 2.601 1.980 3.553 . 0 0 "[ . 1 . 2]" 1
277 1 18 ILE QG 1 28 THR H 6.000 . 6.000 4.428 3.977 4.743 . 0 0 "[ . 1 . 2]" 1
278 1 19 ASN H 1 28 THR H 5.000 . 5.000 4.222 3.651 4.538 . 0 0 "[ . 1 . 2]" 1
279 1 28 THR HA 1 37 VAL MG2 6.000 . 6.000 4.236 3.957 5.000 . 0 0 "[ . 1 . 2]" 1
280 1 28 THR HB 1 37 VAL MG2 6.000 . 6.000 4.628 4.227 4.962 . 0 0 "[ . 1 . 2]" 1
281 1 28 THR HB 1 39 THR MG 6.000 . 6.000 4.283 3.684 4.996 . 0 0 "[ . 1 . 2]" 1
282 1 28 THR MG 1 37 VAL MG2 5.000 . 5.000 2.545 2.320 3.468 . 0 0 "[ . 1 . 2]" 1
283 1 28 THR MG 1 37 VAL MG1 6.000 . 6.000 4.120 3.761 4.162 . 0 0 "[ . 1 . 2]" 1
284 1 16 ILE HA 1 29 TRP HA 5.000 . 5.000 2.143 2.004 2.513 . 0 0 "[ . 1 . 2]" 1
285 1 28 THR MG 1 29 TRP H 7.206 . 7.206 2.341 1.997 3.630 . 0 0 "[ . 1 . 2]" 1
286 1 28 THR HA 1 29 TRP H 2.800 . 2.800 2.226 2.134 2.279 . 0 0 "[ . 1 . 2]" 1
287 1 29 TRP QB 1 38 HIS QB 6.000 . 6.000 3.431 2.226 4.772 . 0 0 "[ . 1 . 2]" 1
288 1 29 TRP H 1 38 HIS H 4.000 . 4.000 3.186 2.549 3.566 . 0 0 "[ . 1 . 2]" 1
289 1 29 TRP H 1 39 THR HA 5.000 . 5.000 3.496 3.101 3.952 . 0 0 "[ . 1 . 2]" 1
290 1 29 TRP H 1 37 VAL QG 6.700 . 6.700 2.923 2.729 4.222 . 0 0 "[ . 1 . 2]" 1
291 1 16 ILE QG 1 29 TRP HA 4.000 . 4.000 2.625 2.421 2.954 . 0 0 "[ . 1 . 2]" 1
292 1 7 ALA MB 1 29 TRP HD1 4.000 . 4.000 2.627 2.076 3.274 . 0 0 "[ . 1 . 2]" 1
293 1 16 ILE HA 1 29 TRP HD1 6.000 . 6.000 3.051 2.858 3.312 . 0 0 "[ . 1 . 2]" 1
294 1 16 ILE HB 1 29 TRP HD1 4.000 . 4.000 2.908 2.625 3.620 . 0 0 "[ . 1 . 2]" 1
295 1 16 ILE MD 1 29 TRP HD1 5.000 . 5.000 2.973 2.458 3.395 . 0 0 "[ . 1 . 2]" 1
296 1 16 ILE QG 1 29 TRP HD1 4.000 . 4.000 2.969 1.976 3.540 . 0 0 "[ . 1 . 2]" 1
297 1 12 VAL HB 1 29 TRP HZ2 5.000 . 5.000 2.369 2.013 2.639 . 0 0 "[ . 1 . 2]" 1
298 1 12 VAL MG2 1 29 TRP HZ2 5.000 . 5.000 4.019 3.731 4.165 . 0 0 "[ . 1 . 2]" 1
299 1 29 TRP HZ2 1 31 SER HA 7.000 . 7.000 4.081 3.634 4.407 . 0 0 "[ . 1 . 2]" 1
300 1 15 ILE H 1 30 ARG H 4.000 . 4.000 3.390 2.766 3.607 . 0 0 "[ . 1 . 2]" 1
301 1 16 ILE HA 1 30 ARG H 5.000 . 5.000 3.477 3.269 4.035 . 0 0 "[ . 1 . 2]" 1
302 1 29 TRP HA 1 30 ARG H 2.800 . 2.800 2.150 2.139 2.160 . 0 0 "[ . 1 . 2]" 1
303 1 29 TRP QB 1 30 ARG H 5.000 . 5.000 3.904 3.830 3.934 . 0 0 "[ . 1 . 2]" 1
304 1 29 TRP H 1 30 ARG H 5.000 . 5.000 4.057 3.960 4.194 . 0 0 "[ . 1 . 2]" 1
305 1 30 ARG H 1 30 ARG QG 4.000 . 4.000 2.337 1.984 3.370 . 0 0 "[ . 1 . 2]" 1
306 1 30 ARG H 1 31 SER H 5.000 . 5.000 4.456 4.408 4.543 . 0 0 "[ . 1 . 2]" 1
307 1 30 ARG HA 1 37 VAL QG 6.740 . 6.740 2.045 1.956 2.183 . 0 0 "[ . 1 . 2]" 1
308 1 30 ARG HA 1 37 VAL HA 4.000 . 4.000 2.643 2.263 3.217 . 0 0 "[ . 1 . 2]" 1
309 1 30 ARG HA 1 38 HIS H 5.000 . 5.000 4.020 3.582 4.604 . 0 0 "[ . 1 . 2]" 1
310 1 14 GLY QA 1 30 ARG H 5.000 . 5.000 4.356 4.117 4.457 . 0 0 "[ . 1 . 2]" 1
311 1 15 ILE MG 1 30 ARG H 6.000 . 6.000 4.809 4.588 5.001 . 0 0 "[ . 1 . 2]" 1
312 1 30 ARG H 1 37 VAL HA 6.000 . 6.000 4.931 4.706 5.204 . 0 0 "[ . 1 . 2]" 1
313 1 30 ARG H 1 37 VAL QG 6.000 . 6.000 3.486 3.237 4.079 . 0 0 "[ . 1 . 2]" 1
314 1 30 ARG HA 1 37 VAL HB 6.000 . 6.000 2.616 2.316 3.916 . 0 0 "[ . 1 . 2]" 1
315 1 30 ARG QB 1 37 VAL HA 6.000 . 6.000 4.344 3.845 5.268 . 0 0 "[ . 1 . 2]" 1
316 1 30 ARG QB 1 37 VAL QG 5.000 . 5.000 2.460 1.923 3.302 . 0 0 "[ . 1 . 2]" 1
317 1 30 ARG HA 1 31 SER H 2.800 . 2.800 2.185 2.148 2.235 . 0 0 "[ . 1 . 2]" 1
318 1 30 ARG QG 1 31 SER H 5.000 . 5.000 4.098 3.560 4.417 . 0 0 "[ . 1 . 2]" 1
319 1 30 ARG QB 1 31 SER H 4.000 . 4.000 3.030 2.837 3.308 . 0 0 "[ . 1 . 2]" 1
320 1 31 SER H 1 32 THR H 5.000 . 5.000 4.629 4.601 4.644 . 0 0 "[ . 1 . 2]" 1
321 1 31 SER H 1 36 LYS H 4.000 . 4.000 3.626 2.923 3.981 . 0 0 "[ . 1 . 2]" 1
322 1 31 SER H 1 37 VAL HA 4.000 . 4.000 3.462 3.113 3.900 . 0 0 "[ . 1 . 2]" 1
323 1 31 SER H 1 36 LYS QB 5.000 . 5.000 4.279 3.981 4.455 . 0 0 "[ . 1 . 2]" 1
324 1 31 SER H 1 37 VAL QG 5.000 . 5.000 3.702 3.517 3.722 . 0 0 "[ . 1 . 2]" 1
325 1 31 SER H 1 38 HIS H 6.000 . 6.000 5.376 5.039 5.789 . 0 0 "[ . 1 . 2]" 1
326 1 31 SER QB 1 36 LYS QB 6.000 . 6.000 2.983 2.526 3.943 . 0 0 "[ . 1 . 2]" 1
327 1 31 SER QB 1 32 THR H 4.000 . 4.000 2.990 2.455 3.568 . 0 0 "[ . 1 . 2]" 1
328 1 32 THR H 1 33 ASP H 4.000 . 4.000 2.742 2.348 2.975 . 0 0 "[ . 1 . 2]" 1
329 1 12 VAL MG1 1 32 THR H 5.000 . 5.000 3.710 3.311 4.027 . 0 0 "[ . 1 . 2]" 1
330 1 14 GLY QA 1 32 THR H 4.000 . 4.000 2.115 1.961 2.452 . 0 0 "[ . 1 . 2]" 1
331 1 14 GLY QA 1 32 THR MG 6.000 . 6.000 3.235 1.938 4.198 . 0 0 "[ . 1 . 2]" 1
332 1 33 ASP H 1 34 GLY H 4.000 . 4.000 2.704 1.959 3.896 . 0 0 "[ . 1 . 2]" 1
333 1 12 VAL MG1 1 33 ASP H 6.000 . 6.000 4.646 3.981 4.997 . 0 0 "[ . 1 . 2]" 1
334 1 33 ASP HA 1 34 GLY H 4.000 . 4.000 3.079 2.226 3.574 . 0 0 "[ . 1 . 2]" 1
335 1 31 SER QB 1 34 GLY H 6.000 . 6.000 2.857 1.977 4.028 . 0 0 "[ . 1 . 2]" 1
336 1 34 GLY QA 1 35 ASP H 5.000 . 5.000 2.341 2.109 2.766 . 0 0 "[ . 1 . 2]" 1
337 1 31 SER H 1 35 ASP H 6.000 . 6.000 4.877 3.583 6.005 0.005 19 0 "[ . 1 . 2]" 1
338 1 31 SER QB 1 36 LYS H 5.000 . 5.000 2.574 2.078 3.032 . 0 0 "[ . 1 . 2]" 1
339 1 31 SER HA 1 36 LYS H 5.000 . 5.000 4.961 4.639 5.005 0.005 19 0 "[ . 1 . 2]" 1
340 1 35 ASP HA 1 36 LYS H 4.000 . 4.000 3.125 2.427 3.571 . 0 0 "[ . 1 . 2]" 1
341 1 35 ASP H 1 36 LYS H 4.000 . 4.000 2.212 1.998 3.360 . 0 0 "[ . 1 . 2]" 1
342 1 35 ASP QB 1 36 LYS H 5.000 . 5.000 3.388 2.156 4.034 . 0 0 "[ . 1 . 2]" 1
343 1 36 LYS QB 1 36 LYS QD 2.800 . 2.800 2.103 1.976 2.235 . 0 0 "[ . 1 . 2]" 1
344 1 36 LYS HA 1 36 LYS QD 5.000 . 5.000 3.308 2.111 4.153 . 0 0 "[ . 1 . 2]" 1
345 1 36 LYS H 1 36 LYS QG 5.000 . 5.000 3.555 2.758 4.260 . 0 0 "[ . 1 . 2]" 1
346 1 36 LYS H 1 36 LYS QD 4.490 . 4.490 3.744 2.905 4.015 . 0 0 "[ . 1 . 2]" 1
347 1 30 ARG QG 1 37 VAL MG2 6.005 . 6.005 3.332 1.787 4.275 0.013 3 0 "[ . 1 . 2]" 1
348 1 30 ARG QD 1 37 VAL MG2 7.206 . 7.206 3.916 2.879 5.336 . 0 0 "[ . 1 . 2]" 1
349 1 36 LYS QB 1 37 VAL H 5.000 . 5.000 3.369 2.734 3.777 . 0 0 "[ . 1 . 2]" 1
350 1 36 LYS HA 1 37 VAL H 2.800 . 2.800 2.156 2.140 2.271 . 0 0 "[ . 1 . 2]" 1
351 1 36 LYS QG 1 37 VAL H 5.000 . 5.000 3.685 2.680 4.474 . 0 0 "[ . 1 . 2]" 1
352 1 36 LYS H 1 37 VAL H 5.000 . 5.000 4.327 4.188 4.524 . 0 0 "[ . 1 . 2]" 1
353 1 37 VAL H 1 37 VAL MG1 4.804 . 4.804 2.236 2.053 2.713 . 0 0 "[ . 1 . 2]" 1
354 1 37 VAL H 1 37 VAL HB 4.000 . 4.000 3.300 3.173 3.739 . 0 0 "[ . 1 . 2]" 1
355 1 37 VAL HA 1 38 HIS H 2.800 . 2.800 2.198 2.146 2.272 . 0 0 "[ . 1 . 2]" 1
356 1 30 ARG QG 1 37 VAL HA 6.700 . 6.700 5.110 3.647 5.972 . 0 0 "[ . 1 . 2]" 1
357 1 37 VAL HB 1 38 HIS H 5.000 . 5.000 4.055 2.720 4.270 . 0 0 "[ . 1 . 2]" 1
358 1 37 VAL MG2 1 38 HIS H 4.804 . 4.804 2.321 2.080 3.666 . 0 0 "[ . 1 . 2]" 1
359 1 38 HIS H 1 39 THR H 5.000 . 5.000 4.396 4.106 4.477 . 0 0 "[ . 1 . 2]" 1
360 1 28 THR MG 1 38 HIS H 6.000 . 6.000 4.248 3.777 4.668 . 0 0 "[ . 1 . 2]" 1
361 1 29 TRP QB 1 38 HIS H 6.000 . 6.000 3.012 2.668 3.325 . 0 0 "[ . 1 . 2]" 1
362 1 27 LEU QD 1 38 HIS HD2 6.700 . 6.700 4.586 3.812 4.974 . 0 0 "[ . 1 . 2]" 1
363 1 28 THR HA 1 39 THR HA 4.000 . 4.000 2.490 2.150 2.874 . 0 0 "[ . 1 . 2]" 1
364 1 28 THR MG 1 39 THR HA 6.005 . 6.005 3.556 2.894 3.921 . 0 0 "[ . 1 . 2]" 1
365 1 38 HIS HA 1 39 THR H 2.800 . 2.800 2.261 2.149 2.282 . 0 0 "[ . 1 . 2]" 1
366 1 38 HIS QB 1 39 THR H 5.612 . 5.612 3.395 2.708 3.891 . 0 0 "[ . 1 . 2]" 1
367 1 39 THR H 1 39 THR MG 4.804 . 4.804 3.899 3.717 3.943 . 0 0 "[ . 1 . 2]" 1
368 1 39 THR H 1 39 THR HB 4.000 . 4.000 2.882 2.660 3.033 . 0 0 "[ . 1 . 2]" 1
369 1 39 THR HA 1 40 VAL H 2.800 . 2.800 2.201 2.139 2.258 . 0 0 "[ . 1 . 2]" 1
370 1 39 THR H 1 40 VAL H 5.000 . 5.000 4.393 4.111 4.503 . 0 0 "[ . 1 . 2]" 1
371 1 28 THR HA 1 39 THR HB 6.000 . 6.000 4.835 4.202 5.617 . 0 0 "[ . 1 . 2]" 1
372 1 28 THR MG 1 39 THR HB 6.000 . 6.000 4.600 4.010 4.990 . 0 0 "[ . 1 . 2]" 1
373 1 27 LEU QD 1 40 VAL MG2 7.211 . 7.211 3.873 1.798 4.456 0.002 14 0 "[ . 1 . 2]" 1
374 1 27 LEU QD 1 40 VAL HB 7.206 . 7.206 3.994 2.440 5.207 . 0 0 "[ . 1 . 2]" 1
375 1 27 LEU QD 1 40 VAL MG1 5.769 . 5.769 2.141 1.798 3.567 0.002 12 0 "[ . 1 . 2]" 1
376 1 28 THR HA 1 40 VAL H 4.000 . 4.000 3.720 3.347 4.005 0.005 19 0 "[ . 1 . 2]" 1
377 1 39 THR HB 1 40 VAL H 5.000 . 5.000 3.829 3.506 4.178 . 0 0 "[ . 1 . 2]" 1
378 1 39 THR MG 1 40 VAL H 4.804 . 4.804 2.528 2.146 3.277 . 0 0 "[ . 1 . 2]" 1
379 1 40 VAL H 1 40 VAL HB 4.000 . 4.000 3.233 2.809 3.797 . 0 0 "[ . 1 . 2]" 1
380 1 40 VAL H 1 40 VAL MG1 4.804 . 4.804 2.257 1.968 3.909 . 0 0 "[ . 1 . 2]" 1
381 1 40 VAL MG1 1 62 LEU QD 7.211 . 7.211 3.993 3.594 4.455 . 0 0 "[ . 1 . 2]" 1
382 1 40 VAL MG2 1 62 LEU QD 7.211 . 7.211 4.336 3.126 4.457 . 0 0 "[ . 1 . 2]" 1
383 1 27 LEU QB 1 40 VAL H 6.000 . 6.000 3.378 2.922 3.895 . 0 0 "[ . 1 . 2]" 1
384 1 27 LEU QD 1 40 VAL H 6.000 . 6.000 3.150 2.647 4.454 . 0 0 "[ . 1 . 2]" 1
385 1 40 VAL MG2 1 87 HIS HD2 6.000 . 6.000 3.740 2.630 4.702 . 0 0 "[ . 1 . 2]" 1
386 1 27 LEU QB 1 40 VAL MG2 6.000 . 6.000 4.005 1.958 4.323 . 0 0 "[ . 1 . 2]" 1
387 1 40 VAL H 1 41 VAL H 5.000 . 5.000 4.240 4.066 4.437 . 0 0 "[ . 1 . 2]" 1
388 1 40 VAL HB 1 41 VAL H 5.000 . 5.000 4.167 3.099 4.402 . 0 0 "[ . 1 . 2]" 1
389 1 40 VAL HA 1 41 VAL H 4.000 . 4.000 2.168 2.136 2.247 . 0 0 "[ . 1 . 2]" 1
390 1 40 VAL MG1 1 41 VAL H 6.005 . 6.005 3.894 2.631 4.135 . 0 0 "[ . 1 . 2]" 1
391 1 40 VAL MG2 1 41 VAL H 4.804 . 4.804 2.694 2.103 4.014 . 0 0 "[ . 1 . 2]" 1
392 1 41 VAL H 1 41 VAL MG1 4.804 . 4.804 3.515 1.966 3.785 . 0 0 "[ . 1 . 2]" 1
393 1 41 VAL H 1 41 VAL HB 4.000 . 4.000 2.627 2.517 2.743 . 0 0 "[ . 1 . 2]" 1
394 1 41 VAL H 1 41 VAL MG2 4.804 . 4.804 2.349 1.968 3.778 . 0 0 "[ . 1 . 2]" 1
395 1 41 VAL HB 1 44 THR MG 6.005 . 6.005 2.655 1.831 4.229 . 0 0 "[ . 1 . 2]" 1
396 1 27 LEU H 1 41 VAL HA 4.000 . 4.000 3.227 2.666 3.508 . 0 0 "[ . 1 . 2]" 1
397 1 41 VAL H 1 44 THR MG 6.000 . 6.000 3.588 3.047 4.349 . 0 0 "[ . 1 . 2]" 1
398 1 26 GLU QB 1 41 VAL HA 5.000 . 5.000 3.452 2.333 4.425 . 0 0 "[ . 1 . 2]" 1
399 1 25 ALA MB 1 42 LEU QD 7.211 . 7.211 2.742 2.094 3.346 . 0 0 "[ . 1 . 2]" 1
400 1 26 GLU HA 1 42 LEU H 4.000 . 4.000 2.382 1.976 3.155 . 0 0 "[ . 1 . 2]" 1
401 1 40 VAL MG2 1 42 LEU QD 7.211 . 7.211 3.808 2.981 4.455 . 0 0 "[ . 1 . 2]" 1
402 1 40 VAL MG1 1 42 LEU QD 8.653 . 8.653 3.047 2.384 5.017 . 0 0 "[ . 1 . 2]" 1
403 1 41 VAL MG2 1 42 LEU H 7.206 . 7.206 3.867 2.150 4.258 . 0 0 "[ . 1 . 2]" 1
404 1 41 VAL H 1 42 LEU H 5.000 . 5.000 4.510 4.293 4.611 . 0 0 "[ . 1 . 2]" 1
405 1 41 VAL HB 1 42 LEU H 6.000 . 6.000 4.143 3.972 4.381 . 0 0 "[ . 1 . 2]" 1
406 1 41 VAL MG1 1 42 LEU H 6.005 . 6.005 2.810 2.133 3.959 . 0 0 "[ . 1 . 2]" 1
407 1 42 LEU H 1 42 LEU QD 4.804 . 4.804 3.218 2.898 3.396 . 0 0 "[ . 1 . 2]" 1
408 1 42 LEU H 1 42 LEU HG 4.000 . 4.000 2.593 2.174 2.887 . 0 0 "[ . 1 . 2]" 1
409 1 42 LEU H 1 43 SER H 4.200 . 4.200 2.519 2.386 2.729 . 0 0 "[ . 1 . 2]" 1
410 1 42 LEU QD 1 107 ILE QG 6.000 . 6.000 3.479 3.167 3.966 . 0 0 "[ . 1 . 2]" 1
411 1 42 LEU QD 1 107 ILE MD 4.000 . 4.000 1.782 1.653 2.167 0.147 5 0 "[ . 1 . 2]" 1
412 1 42 LEU QD 1 107 ILE MG 6.000 . 6.000 2.882 2.188 3.464 . 0 0 "[ . 1 . 2]" 1
413 1 25 ALA MB 1 42 LEU H 6.000 . 6.000 3.566 2.970 4.335 . 0 0 "[ . 1 . 2]" 1
414 1 42 LEU QB 1 107 ILE MG 6.000 . 6.000 2.723 2.442 3.141 . 0 0 "[ . 1 . 2]" 1
415 1 26 GLU HA 1 42 LEU HG 5.000 . 5.000 3.320 2.371 4.290 . 0 0 "[ . 1 . 2]" 1
416 1 18 ILE QG 1 42 LEU QD 5.000 . 5.000 2.725 2.324 3.276 . 0 0 "[ . 1 . 2]" 1
417 1 42 LEU QD 1 45 ILE QG 6.000 . 6.000 2.515 2.081 3.377 . 0 0 "[ . 1 . 2]" 1
418 1 42 LEU QD 1 62 LEU QD 6.000 . 6.000 3.072 2.742 3.305 . 0 0 "[ . 1 . 2]" 1
419 1 42 LEU QD 1 104 LEU HA 6.000 . 6.000 2.882 2.130 3.191 . 0 0 "[ . 1 . 2]" 1
420 1 42 LEU QD 1 104 LEU QD 6.000 . 6.000 1.651 1.542 1.801 0.258 13 0 "[ . 1 . 2]" 1
421 1 18 ILE MG 1 42 LEU QD 4.000 . 4.000 1.814 1.669 2.213 0.131 10 0 "[ . 1 . 2]" 1
422 1 42 LEU HA 1 43 SER H 4.000 . 4.000 3.454 3.278 3.491 . 0 0 "[ . 1 . 2]" 1
423 1 42 LEU QB 1 43 SER H 4.000 . 4.000 2.924 2.784 3.395 . 0 0 "[ . 1 . 2]" 1
424 1 42 LEU HG 1 43 SER H 5.000 . 5.000 4.647 4.386 4.978 . 0 0 "[ . 1 . 2]" 1
425 1 42 LEU MD2 1 43 SER H 6.005 . 6.005 4.680 4.589 4.846 . 0 0 "[ . 1 . 2]" 1
426 1 43 SER H 1 44 THR MG 6.005 . 6.005 4.072 3.428 4.518 . 0 0 "[ . 1 . 2]" 1
427 1 43 SER HA 1 111 TYR QB 6.000 . 6.000 4.375 3.588 5.035 . 0 0 "[ . 1 . 2]" 1
428 1 43 SER H 1 111 TYR QE 6.000 . 6.000 4.971 3.933 5.348 . 0 0 "[ . 1 . 2]" 1
429 1 43 SER HA 1 111 TYR QD 4.000 . 4.000 3.262 2.400 3.568 . 0 0 "[ . 1 . 2]" 1
430 1 24 PRO QB 1 43 SER H 5.000 . 5.000 3.956 3.248 4.456 . 0 0 "[ . 1 . 2]" 1
431 1 41 VAL QG 1 44 THR MG 8.653 . 8.653 2.722 1.714 3.766 0.086 1 0 "[ . 1 . 2]" 1
432 1 43 SER H 1 44 THR H 4.000 . 4.000 2.696 2.423 2.821 . 0 0 "[ . 1 . 2]" 1
433 1 43 SER HA 1 44 THR H 5.000 . 5.000 3.507 3.479 3.549 . 0 0 "[ . 1 . 2]" 1
434 1 44 THR H 1 44 THR MG 4.804 . 4.804 2.243 1.960 2.496 . 0 0 "[ . 1 . 2]" 1
435 1 44 THR HA 1 45 ILE H 4.000 . 4.000 3.478 3.453 3.508 . 0 0 "[ . 1 . 2]" 1
436 1 44 THR H 1 45 ILE H 4.000 . 4.000 2.609 2.487 2.733 . 0 0 "[ . 1 . 2]" 1
437 1 41 VAL HB 1 44 THR H 5.000 . 5.000 3.351 3.004 4.768 . 0 0 "[ . 1 . 2]" 1
438 1 41 VAL QG 1 44 THR H 5.000 . 5.000 2.393 1.917 3.056 . 0 0 "[ . 1 . 2]" 1
439 1 44 THR H 1 65 LYS QD 6.000 . 6.000 5.095 4.608 5.346 . 0 0 "[ . 1 . 2]" 1
440 1 40 VAL MG2 1 45 ILE MD 5.769 . 5.769 3.257 2.781 4.005 . 0 0 "[ . 1 . 2]" 1
441 1 40 VAL MG1 1 45 ILE MD 7.211 . 7.211 3.825 2.162 4.818 . 0 0 "[ . 1 . 2]" 1
442 1 42 LEU HA 1 45 ILE MD 7.206 . 7.206 3.202 1.875 3.602 . 0 0 "[ . 1 . 2]" 1
443 1 44 THR MG 1 45 ILE H 6.005 . 6.005 2.935 1.987 4.161 . 0 0 "[ . 1 . 2]" 1
444 1 45 ILE H 1 45 ILE MG 4.804 . 4.804 3.765 3.761 3.770 . 0 0 "[ . 1 . 2]" 1
445 1 45 ILE H 1 45 ILE HB 4.000 . 4.000 2.617 2.453 2.662 . 0 0 "[ . 1 . 2]" 1
446 1 45 ILE H 1 45 ILE QG 4.000 . 4.000 2.132 1.942 3.240 . 0 0 "[ . 1 . 2]" 1
447 1 45 ILE H 1 45 ILE MD 4.804 . 4.804 2.754 1.865 3.023 . 0 0 "[ . 1 . 2]" 1
448 1 45 ILE MD 1 62 LEU QD 7.211 . 7.211 2.741 1.706 3.874 0.094 15 0 "[ . 1 . 2]" 1
449 1 45 ILE HA 1 64 GLY QA 5.000 . 5.000 2.092 1.943 2.651 . 0 0 "[ . 1 . 2]" 1
450 1 42 LEU QD 1 45 ILE H 6.000 . 6.000 4.419 4.256 4.455 . 0 0 "[ . 1 . 2]" 1
451 1 42 LEU QD 1 45 ILE HB 6.000 . 6.000 3.812 3.282 4.171 . 0 0 "[ . 1 . 2]" 1
452 1 45 ILE HB 1 108 ILE MD 6.000 . 6.000 2.578 2.031 3.262 . 0 0 "[ . 1 . 2]" 1
453 1 45 ILE MG 1 62 LEU HG 6.000 . 6.000 3.816 2.448 4.948 . 0 0 "[ . 1 . 2]" 1
454 1 45 ILE MG 1 62 LEU HA 6.000 . 6.000 3.507 3.047 4.010 . 0 0 "[ . 1 . 2]" 1
455 1 45 ILE MD 1 62 LEU HG 6.000 . 6.000 3.987 2.668 4.842 . 0 0 "[ . 1 . 2]" 1
456 1 45 ILE MD 1 64 GLY QA 5.000 . 5.000 3.067 2.442 3.714 . 0 0 "[ . 1 . 2]" 1
457 1 45 ILE MD 1 87 HIS HD2 5.000 . 5.000 3.665 3.098 4.166 . 0 0 "[ . 1 . 2]" 1
458 1 45 ILE HA 1 46 ASP H 4.000 . 4.000 2.274 2.137 2.338 . 0 0 "[ . 1 . 2]" 1
459 1 45 ILE MD 1 46 ASP H 6.005 . 6.005 3.738 3.425 4.973 . 0 0 "[ . 1 . 2]" 1
460 1 45 ILE QG 1 46 ASP H 5.000 . 5.000 4.401 4.073 4.466 . 0 0 "[ . 1 . 2]" 1
461 1 45 ILE MG 1 46 ASP H 4.804 . 4.804 2.136 1.946 2.881 . 0 0 "[ . 1 . 2]" 1
462 1 45 ILE H 1 46 ASP H 5.000 . 5.000 4.617 4.469 4.644 . 0 0 "[ . 1 . 2]" 1
463 1 46 ASP H 1 47 LYS H 4.000 . 4.000 2.087 1.973 2.243 . 0 0 "[ . 1 . 2]" 1
464 1 46 ASP H 1 64 GLY QA 6.000 . 6.000 2.793 1.991 3.308 . 0 0 "[ . 1 . 2]" 1
465 1 46 ASP H 1 65 LYS H 5.000 . 5.000 4.313 3.726 4.739 . 0 0 "[ . 1 . 2]" 1
466 1 46 ASP HA 1 65 LYS HA 5.000 . 5.000 4.807 4.058 5.008 0.008 15 0 "[ . 1 . 2]" 1
467 1 46 ASP QB 1 65 LYS QG 5.000 . 5.000 2.155 1.840 3.346 . 0 0 "[ . 1 . 2]" 1
468 1 46 ASP QB 1 47 LYS H 4.000 . 4.000 2.455 2.237 2.956 . 0 0 "[ . 1 . 2]" 1
469 1 47 LYS H 1 47 LYS QG 4.000 . 4.000 3.308 2.676 3.586 . 0 0 "[ . 1 . 2]" 1
470 1 47 LYS QB 1 63 ILE MD 7.206 . 7.206 4.580 3.568 5.162 . 0 0 "[ . 1 . 2]" 1
471 1 47 LYS H 1 63 ILE HB 4.000 . 4.000 2.649 2.156 3.356 . 0 0 "[ . 1 . 2]" 1
472 1 47 LYS H 1 108 ILE MD 6.700 . 6.700 4.225 3.624 4.807 . 0 0 "[ . 1 . 2]" 1
473 1 47 LYS HA 1 108 ILE MD 5.000 . 5.000 3.732 2.962 4.165 . 0 0 "[ . 1 . 2]" 1
474 1 47 LYS QG 1 63 ILE HB 5.000 . 5.000 2.621 1.856 3.251 . 0 0 "[ . 1 . 2]" 1
475 1 47 LYS QG 1 63 ILE MD 6.000 . 6.000 3.849 2.446 4.454 . 0 0 "[ . 1 . 2]" 1
476 1 47 LYS QG 1 48 LEU H 5.000 . 5.000 2.796 1.968 4.267 . 0 0 "[ . 1 . 2]" 1
477 1 47 LYS H 1 48 LEU H 5.000 . 5.000 4.440 4.336 4.455 . 0 0 "[ . 1 . 2]" 1
478 1 47 LYS HA 1 48 LEU H 2.800 . 2.800 2.383 2.173 2.493 . 0 0 "[ . 1 . 2]" 1
479 1 47 LYS QD 1 48 LEU H 4.490 . 4.490 3.506 1.937 4.005 . 0 0 "[ . 1 . 2]" 1
480 1 48 LEU H 1 48 LEU HG 5.000 . 5.000 3.384 1.979 4.620 . 0 0 "[ . 1 . 2]" 1
481 1 48 LEU H 1 49 GLN H 6.000 . 6.000 4.354 4.003 4.525 . 0 0 "[ . 1 . 2]" 1
482 1 48 LEU HA 1 62 LEU QD 7.206 . 7.206 2.869 2.334 3.762 . 0 0 "[ . 1 . 2]" 1
483 1 48 LEU H 1 63 ILE H 5.000 . 5.000 4.901 4.415 5.010 0.010 6 0 "[ . 1 . 2]" 1
484 1 48 LEU H 1 108 ILE MD 6.000 . 6.000 4.383 3.545 4.992 . 0 0 "[ . 1 . 2]" 1
485 1 48 LEU HA 1 62 LEU HG 5.000 . 5.000 4.679 2.959 5.007 0.007 13 0 "[ . 1 . 2]" 1
486 1 48 LEU HA 1 108 ILE MD 6.000 . 6.000 4.526 3.829 4.937 . 0 0 "[ . 1 . 2]" 1
487 1 48 LEU QB 1 108 ILE MD 6.000 . 6.000 3.679 2.968 4.238 . 0 0 "[ . 1 . 2]" 1
488 1 48 LEU QD 1 62 LEU HA 6.000 . 6.000 3.921 2.635 4.458 . 0 0 "[ . 1 . 2]" 1
489 1 48 LEU QD 1 105 GLN HA 2.800 . 2.800 2.038 1.833 2.081 . 0 0 "[ . 1 . 2]" 1
490 1 48 LEU QD 1 105 GLN QB 5.000 . 5.000 2.653 1.825 3.147 . 0 0 "[ . 1 . 2]" 1
491 1 48 LEU QD 1 108 ILE MD 6.000 . 6.000 1.834 1.655 2.251 0.145 5 0 "[ . 1 . 2]" 1
492 1 48 LEU HA 1 49 GLN H 2.800 . 2.800 2.201 2.143 2.304 . 0 0 "[ . 1 . 2]" 1
493 1 48 LEU HG 1 49 GLN H 5.000 . 5.000 4.392 3.544 4.948 . 0 0 "[ . 1 . 2]" 1
494 1 48 LEU QD 1 49 GLN H 5.392 . 5.392 3.565 2.889 4.001 . 0 0 "[ . 1 . 2]" 1
495 1 48 LEU QB 1 49 GLN H 4.000 . 4.000 3.066 2.627 3.488 . 0 0 "[ . 1 . 2]" 1
496 1 49 GLN H 1 61 ARG QB 6.000 . 6.000 4.153 3.177 5.333 . 0 0 "[ . 1 . 2]" 1
497 1 49 GLN H 1 62 LEU QD 5.000 . 5.000 3.442 2.623 3.717 . 0 0 "[ . 1 . 2]" 1
498 1 49 GLN HA 1 50 ALA H 2.800 . 2.800 2.253 2.142 2.413 . 0 0 "[ . 1 . 2]" 1
499 1 49 GLN QB 1 50 ALA H 4.000 . 4.000 3.345 2.729 3.566 . 0 0 "[ . 1 . 2]" 1
500 1 49 GLN QG 1 50 ALA H 5.612 . 5.612 2.689 1.994 4.665 . 0 0 "[ . 1 . 2]" 1
501 1 50 ALA MB 1 60 LEU HA 5.000 . 5.000 2.501 1.954 3.041 . 0 0 "[ . 1 . 2]" 1
502 1 50 ALA MB 1 60 LEU QD . . 5.000 1.858 1.684 2.183 0.116 14 0 "[ . 1 . 2]" 1
503 1 50 ALA MB 1 97 MET ME 5.769 . 5.769 2.174 1.904 2.425 . 0 0 "[ . 1 . 2]" 1
504 1 50 ALA MB 1 101 LYS QE 2.800 . 2.800 1.966 1.799 2.079 0.001 2 0 "[ . 1 . 2]" 1
505 1 50 ALA HA 1 60 LEU HG 6.000 . 6.000 3.483 2.367 4.569 . 0 0 "[ . 1 . 2]" 1
506 1 50 ALA HA 1 51 THR H 2.800 . 2.800 2.413 2.248 2.442 . 0 0 "[ . 1 . 2]" 1
507 1 50 ALA MB 1 51 THR H 4.804 . 4.804 2.473 2.315 2.761 . 0 0 "[ . 1 . 2]" 1
508 1 51 THR H 1 51 THR MG 4.804 . 4.804 2.286 1.952 3.751 . 0 0 "[ . 1 . 2]" 1
509 1 51 THR HA 1 52 PRO QD 5.000 . 5.000 2.127 2.058 2.199 . 0 0 "[ . 1 . 2]" 1
510 1 51 THR HB 1 52 PRO QD 5.000 . 5.000 2.106 1.966 3.343 . 0 0 "[ . 1 . 2]" 1
511 1 51 THR MG 1 59 MET ME 7.211 . 7.211 3.172 2.767 4.073 . 0 0 "[ . 1 . 2]" 1
512 1 51 THR MG 1 59 MET QB 6.005 . 6.005 2.352 1.829 4.160 . 0 0 "[ . 1 . 2]" 1
513 1 51 THR H 1 59 MET H 4.000 . 4.000 3.246 2.862 3.581 . 0 0 "[ . 1 . 2]" 1
514 1 51 THR H 1 60 LEU HA 5.000 . 5.000 3.330 2.865 3.862 . 0 0 "[ . 1 . 2]" 1
515 1 51 THR H 1 59 MET QB 6.000 . 6.000 4.166 3.778 4.610 . 0 0 "[ . 1 . 2]" 1
516 1 51 THR H 1 60 LEU QD 6.000 . 6.000 4.121 3.105 4.453 . 0 0 "[ . 1 . 2]" 1
517 1 51 THR H 1 97 MET ME 5.000 . 5.000 3.035 2.169 3.795 . 0 0 "[ . 1 . 2]" 1
518 1 51 THR HB 1 55 SER QB 4.000 . 4.000 2.866 2.516 3.459 . 0 0 "[ . 1 . 2]" 1
519 1 51 THR MG 1 59 MET QG 6.000 . 6.000 3.391 2.541 4.380 . 0 0 "[ . 1 . 2]" 1
520 1 53 ALA MB 1 94 ARG QD 4.804 . 4.804 2.983 1.881 3.564 . 0 0 "[ . 1 . 2]" 1
521 1 53 ALA MB 1 54 SER H 4.804 . 4.804 2.810 2.680 2.921 . 0 0 "[ . 1 . 2]" 1
522 1 54 SER QB 1 55 SER H 4.000 . 4.000 2.888 2.782 3.429 . 0 0 "[ . 1 . 2]" 1
523 1 54 SER HA 1 55 SER H 4.000 . 4.000 3.491 3.481 3.498 . 0 0 "[ . 1 . 2]" 1
524 1 52 PRO QB 1 55 SER H 6.000 . 6.000 2.978 2.728 3.261 . 0 0 "[ . 1 . 2]" 1
525 1 52 PRO QG 1 55 SER H 4.000 . 4.000 2.479 2.295 2.708 . 0 0 "[ . 1 . 2]" 1
526 1 52 PRO QD 1 55 SER H 6.000 . 6.000 4.055 3.847 4.377 . 0 0 "[ . 1 . 2]" 1
527 1 52 PRO QG 1 55 SER QB 5.000 . 5.000 2.155 1.849 3.062 . 0 0 "[ . 1 . 2]" 1
528 1 55 SER QB 1 56 GLU H 6.000 . 6.000 3.233 2.414 3.772 . 0 0 "[ . 1 . 2]" 1
529 1 55 SER HA 1 56 GLU H 4.000 . 4.000 2.207 2.143 2.426 . 0 0 "[ . 1 . 2]" 1
530 1 56 GLU QB 1 57 LYS H 5.000 . 5.000 2.823 2.347 3.768 . 0 0 "[ . 1 . 2]" 1
531 1 56 GLU H 1 57 LYS H 4.000 . 4.000 2.636 2.323 2.853 . 0 0 "[ . 1 . 2]" 1
532 1 56 GLU HA 1 57 LYS H 4.000 . 4.000 3.493 2.942 3.568 . 0 0 "[ . 1 . 2]" 1
533 1 57 LYS QB 1 57 LYS QD 3.143 . 3.143 2.110 1.972 2.426 . 0 0 "[ . 1 . 2]" 1
534 1 57 LYS H 1 57 LYS QG 4.490 . 4.490 2.733 1.986 4.002 . 0 0 "[ . 1 . 2]" 1
535 1 57 LYS QE 1 59 MET ME 6.005 . 6.005 3.199 2.082 4.284 . 0 0 "[ . 1 . 2]" 1
536 1 57 LYS QB 1 58 MET H 5.000 . 5.000 3.561 2.973 3.979 . 0 0 "[ . 1 . 2]" 1
537 1 58 MET QB 1 58 MET ME 3.002 . 3.002 1.990 1.887 2.139 . 0 0 "[ . 1 . 2]" 1
538 1 58 MET H 1 58 MET QG 5.000 . 5.000 2.800 2.061 4.002 . 0 0 "[ . 1 . 2]" 1
539 1 58 MET HA 1 97 MET ME 6.005 . 6.005 3.642 2.740 4.328 . 0 0 "[ . 1 . 2]" 1
540 1 58 MET QB 1 59 MET H 5.000 . 5.000 3.385 3.210 3.887 . 0 0 "[ . 1 . 2]" 1
541 1 58 MET HA 1 59 MET H 4.000 . 4.000 2.144 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
542 1 58 MET QG 1 59 MET H 5.000 . 5.000 4.224 3.105 4.435 . 0 0 "[ . 1 . 2]" 1
543 1 59 MET H 1 59 MET QG 4.000 . 4.000 3.186 2.935 3.572 . 0 0 "[ . 1 . 2]" 1
544 1 51 THR MG 1 59 MET H 5.000 . 5.000 2.374 1.952 3.611 . 0 0 "[ . 1 . 2]" 1
545 1 59 MET HA 1 91 PHE QD 6.000 . 6.000 2.987 2.331 4.706 . 0 0 "[ . 1 . 2]" 1
546 1 59 MET QG 1 88 MET ME 6.000 . 6.000 4.060 3.076 4.454 . 0 0 "[ . 1 . 2]" 1
547 1 50 ALA HA 1 60 LEU HA 4.000 . 4.000 2.225 1.981 2.682 . 0 0 "[ . 1 . 2]" 1
548 1 50 ALA HA 1 60 LEU QD 6.205 . 6.205 3.199 2.191 3.709 . 0 0 "[ . 1 . 2]" 1
549 1 59 MET QB 1 60 LEU H 5.000 . 5.000 2.505 2.343 2.896 . 0 0 "[ . 1 . 2]" 1
550 1 59 MET HA 1 60 LEU H 4.000 . 4.000 2.364 2.214 2.428 . 0 0 "[ . 1 . 2]" 1
551 1 60 LEU QD 1 97 MET ME 7.211 . 7.211 2.683 1.817 3.843 . 0 0 "[ . 1 . 2]" 1
552 1 60 LEU QD 1 97 MET QG 6.105 . 6.105 2.838 1.746 4.036 0.154 14 0 "[ . 1 . 2]" 1
553 1 60 LEU QD 1 101 LYS HA 5.000 . 5.000 2.852 2.142 3.487 . 0 0 "[ . 1 . 2]" 1
554 1 60 LEU H 1 90 SER HA 5.000 . 5.000 3.676 2.996 4.432 . 0 0 "[ . 1 . 2]" 1
555 1 60 LEU H 1 91 PHE QD 6.000 . 6.000 3.018 2.194 4.254 . 0 0 "[ . 1 . 2]" 1
556 1 60 LEU H 1 91 PHE H 5.000 . 5.000 4.558 3.993 5.001 0.001 8 0 "[ . 1 . 2]" 1
557 1 60 LEU HA 1 97 MET ME 6.000 . 6.000 3.817 3.201 4.739 . 0 0 "[ . 1 . 2]" 1
558 1 49 GLN H 1 61 ARG H 4.000 . 4.000 3.579 3.134 3.872 . 0 0 "[ . 1 . 2]" 1
559 1 50 ALA HA 1 61 ARG H 4.000 . 4.000 2.817 2.201 3.237 . 0 0 "[ . 1 . 2]" 1
560 1 60 LEU QD 1 61 ARG H 6.005 . 6.005 2.709 1.965 3.850 . 0 0 "[ . 1 . 2]" 1
561 1 60 LEU QB 1 61 ARG H 5.000 . 5.000 3.236 2.734 3.675 . 0 0 "[ . 1 . 2]" 1
562 1 60 LEU HA 1 61 ARG H 2.800 . 2.800 2.285 2.147 2.424 . 0 0 "[ . 1 . 2]" 1
563 1 61 ARG HA 1 88 MET HA 5.000 . 5.000 1.991 1.948 2.170 . 0 0 "[ . 1 . 2]" 1
564 1 49 GLN QB 1 61 ARG QB 5.600 3.400 5.600 2.912 2.692 4.362 0.708 4 17 "[***+** ***** -*****]" 1
565 1 49 GLN QB 1 61 ARG H 6.000 . 6.000 3.847 3.310 4.445 . 0 0 "[ . 1 . 2]" 1
566 1 50 ALA MB 1 61 ARG H 6.000 . 6.000 3.496 2.880 3.966 . 0 0 "[ . 1 . 2]" 1
567 1 61 ARG HA 1 88 MET QB 6.000 . 6.000 3.134 1.962 3.690 . 0 0 "[ . 1 . 2]" 1
568 1 27 LEU QD 1 62 LEU QD 8.653 . 8.653 3.290 2.783 4.145 . 0 0 "[ . 1 . 2]" 1
569 1 45 ILE MD 1 62 LEU QB 7.206 . 7.206 2.424 1.834 3.266 . 0 0 "[ . 1 . 2]" 1
570 1 48 LEU HA 1 62 LEU HA 5.000 . 5.000 2.715 2.039 3.138 . 0 0 "[ . 1 . 2]" 1
571 1 49 GLN H 1 62 LEU HA 4.000 . 4.000 3.170 2.730 3.514 . 0 0 "[ . 1 . 2]" 1
572 1 61 ARG HA 1 62 LEU H 4.000 . 4.000 2.190 2.133 2.291 . 0 0 "[ . 1 . 2]" 1
573 1 61 ARG H 1 62 LEU H 4.400 2.200 4.400 4.280 3.990 4.445 0.045 14 0 "[ . 1 . 2]" 1
574 1 62 LEU H 1 62 LEU QD 4.804 . 4.804 2.792 1.769 3.449 0.031 15 0 "[ . 1 . 2]" 1
575 1 62 LEU H 1 62 LEU HG 4.200 . 4.200 3.449 2.399 4.245 0.045 17 0 "[ . 1 . 2]" 1
576 1 62 LEU H 1 63 ILE H 5.000 . 5.000 4.468 4.360 4.569 . 0 0 "[ . 1 . 2]" 1
577 1 62 LEU H 1 88 MET HA 5.000 . 5.000 3.192 2.182 3.595 . 0 0 "[ . 1 . 2]" 1
578 1 47 LYS QB 1 63 ILE HB 5.000 . 5.000 2.610 1.962 3.224 . 0 0 "[ . 1 . 2]" 1
579 1 47 LYS H 1 63 ILE H 4.000 . 4.000 3.269 2.861 3.677 . 0 0 "[ . 1 . 2]" 1
580 1 48 LEU HA 1 63 ILE H 4.000 . 4.000 3.346 2.636 3.821 . 0 0 "[ . 1 . 2]" 1
581 1 62 LEU QD 1 63 ILE H 4.804 . 4.804 3.563 3.450 3.589 . 0 0 "[ . 1 . 2]" 1
582 1 62 LEU HA 1 63 ILE H 4.000 . 4.000 2.210 2.143 2.225 . 0 0 "[ . 1 . 2]" 1
583 1 62 LEU QB 1 63 ILE H 4.000 . 4.000 2.932 2.817 3.238 . 0 0 "[ . 1 . 2]" 1
584 1 63 ILE QG 1 63 ILE MG 3.002 . 3.002 2.209 2.042 2.233 . 0 0 "[ . 1 . 2]" 1
585 1 63 ILE H 1 63 ILE QG 4.000 . 4.000 2.426 2.122 3.546 . 0 0 "[ . 1 . 2]" 1
586 1 63 ILE MG 1 84 PRO QB 6.005 . 6.005 3.012 2.402 3.854 . 0 0 "[ . 1 . 2]" 1
587 1 63 ILE MD 1 86 ARG QD 8.088 . 8.088 3.011 1.870 3.833 . 0 0 "[ . 1 . 2]" 1
588 1 45 ILE MG 1 63 ILE H 5.000 . 5.000 2.792 2.128 3.334 . 0 0 "[ . 1 . 2]" 1
589 1 63 ILE HA 1 86 ARG QG 4.000 . 4.000 2.917 2.209 3.541 . 0 0 "[ . 1 . 2]" 1
590 1 47 LYS QB 1 63 ILE MG 5.000 . 5.000 3.553 2.999 3.723 . 0 0 "[ . 1 . 2]" 1
591 1 63 ILE MG 1 86 ARG QG 6.000 . 6.000 2.124 1.900 2.903 . 0 0 "[ . 1 . 2]" 1
592 1 47 LYS QE 1 63 ILE MD 6.000 . 6.000 3.796 2.519 4.453 . 0 0 "[ . 1 . 2]" 1
593 1 49 GLN QB 1 63 ILE MD 5.000 . 5.000 3.366 2.700 3.711 . 0 0 "[ . 1 . 2]" 1
594 1 63 ILE HA 1 64 GLY H 2.800 . 2.800 2.178 2.143 2.213 . 0 0 "[ . 1 . 2]" 1
595 1 63 ILE MD 1 64 GLY H 6.005 . 6.005 3.911 3.599 4.720 . 0 0 "[ . 1 . 2]" 1
596 1 64 GLY H 1 86 ARG HA 4.000 . 4.000 3.150 2.298 3.848 . 0 0 "[ . 1 . 2]" 1
597 1 45 ILE HA 1 64 GLY H 6.000 . 6.000 4.439 3.937 4.868 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLY H 1 84 PRO QB 6.000 . 6.000 4.409 3.307 5.346 . 0 0 "[ . 1 . 2]" 1
599 1 64 GLY H 1 86 ARG QG 6.000 . 6.000 3.694 2.962 4.961 . 0 0 "[ . 1 . 2]" 1
600 1 46 ASP QB 1 65 LYS HA 5.000 . 5.000 2.334 1.984 2.573 . 0 0 "[ . 1 . 2]" 1
601 1 64 GLY QA 1 65 LYS H 4.000 . 4.000 2.262 2.222 2.282 . 0 0 "[ . 1 . 2]" 1
602 1 64 GLY H 1 65 LYS H 5.000 . 5.000 4.547 4.353 4.619 . 0 0 "[ . 1 . 2]" 1
603 1 65 LYS H 1 65 LYS QD 5.612 . 5.612 3.405 2.312 4.248 . 0 0 "[ . 1 . 2]" 1
604 1 65 LYS H 1 65 LYS QG 4.000 . 4.000 2.753 1.957 3.505 . 0 0 "[ . 1 . 2]" 1
605 1 65 LYS H 1 66 VAL H 5.000 . 5.000 4.533 4.412 4.624 . 0 0 "[ . 1 . 2]" 1
606 1 44 THR HA 1 65 LYS H 5.000 . 5.000 4.333 3.683 4.999 . 0 0 "[ . 1 . 2]" 1
607 1 46 ASP QB 1 65 LYS H 5.000 . 5.000 3.319 2.458 4.323 . 0 0 "[ . 1 . 2]" 1
608 1 46 ASP HA 1 65 LYS QG 5.000 . 5.000 3.252 2.218 4.465 . 0 0 "[ . 1 . 2]" 1
609 1 46 ASP HA 1 65 LYS QE 4.000 . 4.000 3.171 2.222 3.564 . 0 0 "[ . 1 . 2]" 1
610 1 65 LYS QG 1 66 VAL H 5.000 . 5.000 3.570 2.763 4.422 . 0 0 "[ . 1 . 2]" 1
611 1 65 LYS QD 1 66 VAL H 6.735 . 6.735 4.690 4.206 5.468 . 0 0 "[ . 1 . 2]" 1
612 1 65 LYS HA 1 66 VAL H 2.800 . 2.800 2.441 2.135 2.728 . 0 0 "[ . 1 . 2]" 1
613 1 65 LYS QB 1 66 VAL H 4.000 . 4.000 2.457 1.962 3.352 . 0 0 "[ . 1 . 2]" 1
614 1 66 VAL H 1 66 VAL HB 4.000 . 4.000 3.234 2.617 3.866 . 0 0 "[ . 1 . 2]" 1
615 1 66 VAL H 1 67 ASP H 5.000 . 5.000 4.512 4.342 4.616 . 0 0 "[ . 1 . 2]" 1
616 1 66 VAL QG 1 84 PRO QG 6.740 . 6.740 2.869 1.900 4.288 . 0 0 "[ . 1 . 2]" 1
617 1 46 ASP QB 1 66 VAL H 6.000 . 6.000 4.376 3.887 4.778 . 0 0 "[ . 1 . 2]" 1
618 1 66 VAL HA 1 84 PRO HA 4.000 . 4.000 3.435 2.015 4.003 0.003 2 0 "[ . 1 . 2]" 1
619 1 66 VAL HA 1 84 PRO QB 6.000 . 6.000 3.941 2.049 5.316 . 0 0 "[ . 1 . 2]" 1
620 1 66 VAL QG 1 67 ASP H 4.804 . 4.804 2.612 1.891 3.565 . 0 0 "[ . 1 . 2]" 1
621 1 66 VAL HA 1 67 ASP H 2.800 . 2.800 2.317 2.142 2.587 . 0 0 "[ . 1 . 2]" 1
622 1 66 VAL HB 1 67 ASP H 4.000 . 4.000 3.193 1.990 3.975 . 0 0 "[ . 1 . 2]" 1
623 1 67 ASP QB 1 68 GLU H 5.000 . 5.000 3.750 3.434 4.042 . 0 0 "[ . 1 . 2]" 1
624 1 67 ASP H 1 68 GLU H 4.000 . 4.000 3.736 2.890 4.006 0.006 6 0 "[ . 1 . 2]" 1
625 1 67 ASP HA 1 68 GLU H 2.800 . 2.800 2.245 2.139 2.603 . 0 0 "[ . 1 . 2]" 1
626 1 68 GLU H 1 68 GLU QG 4.000 . 4.000 2.733 1.994 3.549 . 0 0 "[ . 1 . 2]" 1
627 1 68 GLU H 1 69 SER H 4.000 . 4.000 3.047 2.205 4.001 0.001 14 0 "[ . 1 . 2]" 1
628 1 68 GLU HA 1 69 SER H 4.000 . 4.000 2.930 2.168 3.555 . 0 0 "[ . 1 . 2]" 1
629 1 68 GLU QB 1 69 SER H 5.000 . 5.000 3.494 1.957 4.041 . 0 0 "[ . 1 . 2]" 1
630 1 69 SER QB 1 70 LYS H 5.000 . 5.000 3.217 2.006 4.056 . 0 0 "[ . 1 . 2]" 1
631 1 69 SER H 1 70 LYS H 4.000 . 4.000 2.520 1.996 3.792 . 0 0 "[ . 1 . 2]" 1
632 1 69 SER HA 1 70 LYS H 4.000 . 4.000 3.244 2.436 3.571 . 0 0 "[ . 1 . 2]" 1
633 1 70 LYS HA 1 70 LYS QD 5.000 . 5.000 3.322 1.977 4.137 . 0 0 "[ . 1 . 2]" 1
634 1 70 LYS H 1 70 LYS QG 4.000 . 4.000 3.090 2.055 3.565 . 0 0 "[ . 1 . 2]" 1
635 1 67 ASP QB 1 70 LYS H 6.000 . 6.000 4.198 2.392 5.347 . 0 0 "[ . 1 . 2]" 1
636 1 70 LYS QB 1 71 LYS H 2.800 . 2.800 2.303 1.997 2.501 . 0 0 "[ . 1 . 2]" 1
637 1 70 LYS H 1 71 LYS H 4.000 . 4.000 2.521 1.973 3.127 . 0 0 "[ . 1 . 2]" 1
638 1 71 LYS H 1 71 LYS QD 4.490 . 4.490 3.642 2.615 4.010 . 0 0 "[ . 1 . 2]" 1
639 1 71 LYS H 1 72 ARG H 5.000 . 5.000 4.228 2.618 4.647 . 0 0 "[ . 1 . 2]" 1
640 1 71 LYS QB 1 72 ARG H 4.000 . 4.000 2.890 1.961 3.684 . 0 0 "[ . 1 . 2]" 1
641 1 71 LYS HA 1 81 VAL QG 7.206 . 7.206 4.411 1.835 5.348 . 0 0 "[ . 1 . 2]" 1
642 1 68 GLU HA 1 71 LYS H 5.000 . 5.000 4.461 3.501 5.005 0.005 20 0 "[ . 1 . 2]" 1
643 1 71 LYS HA 1 82 PRO QD 5.000 . 5.000 3.419 2.169 4.468 . 0 0 "[ . 1 . 2]" 1
644 1 71 LYS HA 1 72 ARG H 2.800 . 2.800 2.401 2.138 2.897 0.097 15 0 "[ . 1 . 2]" 1
645 1 72 ARG H 1 72 ARG QG 4.490 . 4.490 3.188 2.159 4.001 . 0 0 "[ . 1 . 2]" 1
646 1 72 ARG QB 1 73 LYS H 4.000 . 4.000 2.714 1.942 3.578 . 0 0 "[ . 1 . 2]" 1
647 1 72 ARG HA 1 73 LYS H 2.800 . 2.800 2.396 2.143 2.778 . 0 0 "[ . 1 . 2]" 1
648 1 73 LYS H 1 73 LYS QG 5.000 . 5.000 2.793 1.975 4.206 . 0 0 "[ . 1 . 2]" 1
649 1 73 LYS HA 1 80 VAL QG 5.000 . 5.000 3.449 1.981 3.737 . 0 0 "[ . 1 . 2]" 1
650 1 73 LYS QB 1 74 ASP H 4.490 . 4.490 3.575 1.892 3.994 . 0 0 "[ . 1 . 2]" 1
651 1 73 LYS H 1 74 ASP H 4.000 . 4.000 3.787 3.169 4.138 0.138 15 0 "[ . 1 . 2]" 1
652 1 73 LYS HA 1 74 ASP H 2.800 . 2.800 2.264 2.139 2.870 0.070 15 0 "[ . 1 . 2]" 1
653 1 74 ASP H 1 79 GLU HA 5.000 . 5.000 4.547 3.391 5.033 0.033 1 0 "[ . 1 . 2]" 1
654 1 74 ASP HA 1 75 ASN H 5.000 . 5.000 2.994 2.147 3.571 . 0 0 "[ . 1 . 2]" 1
655 1 74 ASP QB 1 75 ASN H 5.000 . 5.000 2.929 1.974 4.044 . 0 0 "[ . 1 . 2]" 1
656 1 75 ASN QB 1 76 GLU QG 6.735 . 6.735 4.472 2.507 5.261 . 0 0 "[ . 1 . 2]" 1
657 1 75 ASN H 1 76 GLU H 4.000 . 4.000 2.689 1.959 3.885 . 0 0 "[ . 1 . 2]" 1
658 1 75 ASN QB 1 76 GLU H 5.000 . 5.000 2.860 1.940 4.037 . 0 0 "[ . 1 . 2]" 1
659 1 75 ASN HA 1 76 GLU H 4.000 . 4.000 3.193 2.140 3.569 . 0 0 "[ . 1 . 2]" 1
660 1 76 GLU QB 1 77 GLY H 5.000 . 5.000 3.307 1.941 3.996 . 0 0 "[ . 1 . 2]" 1
661 1 76 GLU HA 1 77 GLY H 4.000 . 4.000 2.802 2.143 3.574 . 0 0 "[ . 1 . 2]" 1
662 1 77 GLY H 1 77 GLY QA 2.800 . 2.800 2.370 2.209 2.501 . 0 0 "[ . 1 . 2]" 1
663 1 73 LYS QB 1 77 GLY H 6.000 . 6.000 5.108 3.964 5.373 . 0 0 "[ . 1 . 2]" 1
664 1 77 GLY QA 1 78 ASN H 4.000 . 4.000 2.572 2.133 2.874 . 0 0 "[ . 1 . 2]" 1
665 1 77 GLY H 1 78 ASN H 4.000 . 4.000 2.614 1.894 4.002 0.002 10 0 "[ . 1 . 2]" 1
666 1 78 ASN H 1 78 ASN HA 2.800 . 2.800 2.657 2.271 2.903 0.103 19 0 "[ . 1 . 2]" 1
667 1 78 ASN H 1 78 ASN QD 5.000 . 5.000 3.837 2.557 4.454 . 0 0 "[ . 1 . 2]" 1
668 1 78 ASN H 1 79 GLU H 4.000 . 4.000 3.724 2.693 4.145 0.145 17 0 "[ . 1 . 2]" 1
669 1 73 LYS HA 1 79 GLU HA 4.000 . 4.000 3.303 2.540 4.066 0.066 1 0 "[ . 1 . 2]" 1
670 1 78 ASN QB 1 79 GLU H 4.000 . 4.000 3.441 1.874 3.683 . 0 0 "[ . 1 . 2]" 1
671 1 78 ASN HA 1 79 GLU H 2.800 . 2.800 2.227 2.140 2.908 0.108 19 0 "[ . 1 . 2]" 1
672 1 79 GLU H 1 79 GLU QB 3.143 . 3.143 2.494 2.051 2.820 . 0 0 "[ . 1 . 2]" 1
673 1 79 GLU H 1 79 GLU QG 4.000 . 4.000 2.723 1.994 3.570 . 0 0 "[ . 1 . 2]" 1
674 1 79 GLU H 1 80 VAL H 5.000 . 5.000 3.978 3.006 4.641 . 0 0 "[ . 1 . 2]" 1
675 1 78 ASN QB 1 80 VAL QG 8.088 . 8.088 3.739 2.629 5.118 . 0 0 "[ . 1 . 2]" 1
676 1 79 GLU QB 1 80 VAL H 4.490 . 4.490 3.529 1.981 4.012 . 0 0 "[ . 1 . 2]" 1
677 1 79 GLU HA 1 80 VAL H 2.800 . 2.800 2.329 2.140 2.656 . 0 0 "[ . 1 . 2]" 1
678 1 79 GLU QG 1 80 VAL H 6.000 . 6.000 4.188 3.588 4.883 . 0 0 "[ . 1 . 2]" 1
679 1 80 VAL H 1 80 VAL HB 4.000 . 4.000 3.016 2.399 3.715 . 0 0 "[ . 1 . 2]" 1
680 1 73 LYS HA 1 80 VAL H 4.000 . 4.000 3.394 2.028 4.152 0.152 17 0 "[ . 1 . 2]" 1
681 1 80 VAL QG 1 81 VAL H 4.804 . 4.804 2.308 1.887 3.436 . 0 0 "[ . 1 . 2]" 1
682 1 80 VAL H 1 81 VAL H 5.000 . 5.000 4.495 4.034 4.655 . 0 0 "[ . 1 . 2]" 1
683 1 80 VAL HB 1 81 VAL H 4.000 . 4.000 3.745 2.547 4.021 0.021 14 0 "[ . 1 . 2]" 1
684 1 80 VAL HA 1 81 VAL H 2.800 . 2.800 2.251 2.162 2.388 . 0 0 "[ . 1 . 2]" 1
685 1 81 VAL H 1 81 VAL HB 2.800 . 2.800 2.699 2.500 2.853 0.053 14 0 "[ . 1 . 2]" 1
686 1 81 VAL HA 1 82 PRO QD 4.000 . 4.000 2.315 1.941 3.552 . 0 0 "[ . 1 . 2]" 1
687 1 71 LYS QG 1 81 VAL HA 6.000 . 6.000 4.593 2.253 5.351 . 0 0 "[ . 1 . 2]" 1
688 1 81 VAL QG 1 82 PRO QD 6.005 . 6.005 2.085 1.823 3.058 . 0 0 "[ . 1 . 2]" 1
689 1 82 PRO HA 1 82 PRO QD 4.000 . 4.000 3.357 3.215 3.535 . 0 0 "[ . 1 . 2]" 1
690 1 82 PRO QG 1 83 LYS H 5.000 . 5.000 4.415 3.465 4.590 . 0 0 "[ . 1 . 2]" 1
691 1 82 PRO QD 1 83 LYS H 5.000 . 5.000 4.283 3.946 4.537 . 0 0 "[ . 1 . 2]" 1
692 1 82 PRO HA 1 83 LYS H 2.800 . 2.800 2.516 2.209 2.811 0.011 9 0 "[ . 1 . 2]" 1
693 1 82 PRO QB 1 83 LYS H 5.000 . 5.000 3.723 1.860 4.008 . 0 0 "[ . 1 . 2]" 1
694 1 83 LYS H 1 83 LYS QG 4.000 . 4.000 2.791 1.957 3.566 . 0 0 "[ . 1 . 2]" 1
695 1 83 LYS HA 1 84 PRO QD 4.000 . 4.000 2.089 1.934 2.226 . 0 0 "[ . 1 . 2]" 1
696 1 80 VAL QG 1 83 LYS H 6.000 . 6.000 4.097 3.420 4.455 . 0 0 "[ . 1 . 2]" 1
697 1 66 VAL QG 1 83 LYS HA 6.000 . 6.000 3.930 2.533 4.455 . 0 0 "[ . 1 . 2]" 1
698 1 66 VAL QG 1 84 PRO HA 4.804 . 4.804 2.910 1.849 3.566 . 0 0 "[ . 1 . 2]" 1
699 1 83 LYS HA 1 84 PRO QG 5.612 . 5.612 3.999 3.840 4.140 . 0 0 "[ . 1 . 2]" 1
700 1 66 VAL QG 1 84 PRO QB 5.000 . 5.000 2.386 1.861 3.302 . 0 0 "[ . 1 . 2]" 1
701 1 66 VAL QG 1 84 PRO QD 6.000 . 6.000 2.761 1.821 3.544 . 0 0 "[ . 1 . 2]" 1
702 1 64 GLY H 1 85 GLN H 5.000 . 5.000 3.662 3.181 4.214 . 0 0 "[ . 1 . 2]" 1
703 1 64 GLY QA 1 85 GLN H 5.000 . 5.000 3.370 2.363 4.035 . 0 0 "[ . 1 . 2]" 1
704 1 84 PRO HA 1 85 GLN H 2.800 . 2.800 2.310 2.149 2.672 . 0 0 "[ . 1 . 2]" 1
705 1 85 GLN H 1 85 GLN QG 4.000 . 4.000 2.654 1.980 3.563 . 0 0 "[ . 1 . 2]" 1
706 1 65 LYS HA 1 85 GLN H 6.000 . 6.000 5.511 4.823 6.002 0.002 7 0 "[ . 1 . 2]" 1
707 1 63 ILE MD 1 86 ARG QG 6.005 . 6.005 1.982 1.681 3.512 0.119 5 0 "[ . 1 . 2]" 1
708 1 63 ILE HA 1 86 ARG HA 5.000 . 5.000 2.340 2.087 2.735 . 0 0 "[ . 1 . 2]" 1
709 1 85 GLN QB 1 86 ARG H 4.000 . 4.000 2.890 1.988 3.514 . 0 0 "[ . 1 . 2]" 1
710 1 85 GLN QG 1 86 ARG H 5.000 . 5.000 3.894 3.145 4.388 . 0 0 "[ . 1 . 2]" 1
711 1 85 GLN HA 1 86 ARG H 2.800 . 2.800 2.258 2.140 2.627 . 0 0 "[ . 1 . 2]" 1
712 1 85 GLN H 1 86 ARG H 5.000 . 5.000 4.500 4.252 4.621 . 0 0 "[ . 1 . 2]" 1
713 1 86 ARG H 1 86 ARG QD 5.612 . 5.612 3.944 1.993 5.001 . 0 0 "[ . 1 . 2]" 1
714 1 63 ILE MD 1 86 ARG HA 4.000 . 4.000 2.678 2.273 3.336 . 0 0 "[ . 1 . 2]" 1
715 1 63 ILE MG 1 86 ARG HA 4.000 . 4.000 3.336 3.331 3.346 . 0 0 "[ . 1 . 2]" 1
716 1 63 ILE MG 1 86 ARG QD 8.088 . 8.088 3.467 2.562 4.000 . 0 0 "[ . 1 . 2]" 1
717 1 62 LEU H 1 87 HIS H 5.000 . 5.000 3.379 2.868 3.966 . 0 0 "[ . 1 . 2]" 1
718 1 62 LEU HA 1 87 HIS H 6.000 . 6.000 4.940 4.649 5.479 . 0 0 "[ . 1 . 2]" 1
719 1 86 ARG HA 1 87 HIS H 2.800 . 2.800 2.169 2.141 2.227 . 0 0 "[ . 1 . 2]" 1
720 1 86 ARG H 1 87 HIS H 5.000 . 5.000 3.965 3.633 4.411 . 0 0 "[ . 1 . 2]" 1
721 1 87 HIS H 1 88 MET H 5.000 . 5.000 4.439 4.277 4.535 . 0 0 "[ . 1 . 2]" 1
722 1 87 HIS QB 1 88 MET H 4.000 . 4.000 3.033 2.594 3.404 . 0 0 "[ . 1 . 2]" 1
723 1 61 ARG HA 1 87 HIS H 6.000 . 6.000 5.021 4.671 5.556 . 0 0 "[ . 1 . 2]" 1
724 1 62 LEU QB 1 87 HIS H 6.000 . 6.000 3.555 3.107 5.044 . 0 0 "[ . 1 . 2]" 1
725 1 62 LEU QD 1 87 HIS H 6.000 . 6.000 4.336 2.768 4.460 . 0 0 "[ . 1 . 2]" 1
726 1 63 ILE HA 1 87 HIS H 6.000 . 6.000 3.550 3.195 3.868 . 0 0 "[ . 1 . 2]" 1
727 1 62 LEU QB 1 87 HIS QB 6.000 . 6.000 3.239 2.229 4.748 . 0 0 "[ . 1 . 2]" 1
728 1 62 LEU QD 1 87 HIS QB 6.000 . 6.000 3.223 1.929 3.966 . 0 0 "[ . 1 . 2]" 1
729 1 61 ARG QB 1 88 MET HA 6.000 . 6.000 3.049 2.008 4.077 . 0 0 "[ . 1 . 2]" 1
730 1 87 HIS HA 1 88 MET H 2.800 . 2.800 2.198 2.140 2.331 . 0 0 "[ . 1 . 2]" 1
731 1 9 PHE QD 1 88 MET H 6.000 . 6.000 5.091 4.572 5.348 . 0 0 "[ . 1 . 2]" 1
732 1 9 PHE QE 1 88 MET H 4.000 . 4.000 3.452 3.005 3.565 . 0 0 "[ . 1 . 2]" 1
733 1 61 ARG HA 1 88 MET QG 6.000 . 6.000 4.778 3.842 5.202 . 0 0 "[ . 1 . 2]" 1
734 1 61 ARG HA 1 89 PHE H 5.000 . 5.000 3.165 2.698 3.590 . 0 0 "[ . 1 . 2]" 1
735 1 88 MET QB 1 89 PHE H 5.000 . 5.000 2.853 2.694 3.403 . 0 0 "[ . 1 . 2]" 1
736 1 88 MET H 1 89 PHE H 5.000 . 5.000 4.436 4.277 4.548 . 0 0 "[ . 1 . 2]" 1
737 1 88 MET QG 1 89 PHE H 5.000 . 5.000 4.336 3.880 4.465 . 0 0 "[ . 1 . 2]" 1
738 1 88 MET HA 1 89 PHE H 2.800 . 2.800 2.235 2.139 2.274 . 0 0 "[ . 1 . 2]" 1
739 1 62 LEU H 1 89 PHE H 5.000 . 5.000 4.763 4.007 5.004 0.004 2 0 "[ . 1 . 2]" 1
740 1 62 LEU QD 1 89 PHE QD 5.000 . 5.000 2.943 2.430 3.306 . 0 0 "[ . 1 . 2]" 1
741 1 8 ILE HB 1 90 SER QB 5.000 . 5.000 1.971 1.842 2.478 . 0 0 "[ . 1 . 2]" 1
742 1 8 ILE MG 1 90 SER QB 6.005 . 6.005 3.050 2.708 3.391 . 0 0 "[ . 1 . 2]" 1
743 1 8 ILE MD 1 90 SER QB 7.206 . 7.206 2.475 1.939 2.954 . 0 0 "[ . 1 . 2]" 1
744 1 9 PHE HA 1 90 SER H 6.000 . 6.000 3.641 3.102 4.118 . 0 0 "[ . 1 . 2]" 1
745 1 59 MET QG 1 90 SER HA 5.000 . 5.000 2.279 1.966 3.248 . 0 0 "[ . 1 . 2]" 1
746 1 59 MET HA 1 90 SER HA 5.000 . 5.000 2.854 2.269 3.684 . 0 0 "[ . 1 . 2]" 1
747 1 59 MET QG 1 90 SER QB 6.000 . 6.000 3.285 2.295 4.686 . 0 0 "[ . 1 . 2]" 1
748 1 89 PHE H 1 90 SER H 5.000 . 5.000 4.433 4.233 4.518 . 0 0 "[ . 1 . 2]" 1
749 1 89 PHE QB 1 90 SER H 5.000 . 5.000 2.707 2.379 3.210 . 0 0 "[ . 1 . 2]" 1
750 1 89 PHE HA 1 90 SER H 4.000 . 4.000 2.297 2.149 2.417 . 0 0 "[ . 1 . 2]" 1
751 1 90 SER H 1 91 PHE H 6.000 . 6.000 4.534 4.301 4.607 . 0 0 "[ . 1 . 2]" 1
752 1 7 ALA HA 1 90 SER H 5.000 . 5.000 4.974 4.789 5.003 0.003 13 0 "[ . 1 . 2]" 1
753 1 7 ALA MB 1 90 SER H 6.000 . 6.000 4.532 4.168 4.997 . 0 0 "[ . 1 . 2]" 1
754 1 8 ILE HB 1 90 SER H 4.000 . 4.000 3.296 2.967 4.002 0.002 7 0 "[ . 1 . 2]" 1
755 1 8 ILE MD 1 90 SER H 6.000 . 6.000 4.158 3.488 4.996 . 0 0 "[ . 1 . 2]" 1
756 1 8 ILE MG 1 90 SER H 6.000 . 6.000 4.279 3.989 4.662 . 0 0 "[ . 1 . 2]" 1
757 1 7 ALA HA 1 91 PHE HA 6.000 . 6.000 3.363 2.795 3.891 . 0 0 "[ . 1 . 2]" 1
758 1 59 MET HA 1 91 PHE H 5.000 . 5.000 2.786 2.377 3.290 . 0 0 "[ . 1 . 2]" 1
759 1 90 SER QB 1 91 PHE H 5.000 . 5.000 2.950 2.576 3.681 . 0 0 "[ . 1 . 2]" 1
760 1 90 SER HA 1 91 PHE H 4.000 . 4.000 2.258 2.141 2.377 . 0 0 "[ . 1 . 2]" 1
761 1 91 PHE H 1 92 ASN H 5.000 . 5.000 4.401 4.202 4.489 . 0 0 "[ . 1 . 2]" 1
762 1 91 PHE QD 1 96 VAL MG1 5.000 . 5.000 3.096 2.611 3.712 . 0 0 "[ . 1 . 2]" 1
763 1 91 PHE QD 1 100 ILE QG 6.000 . 6.000 3.959 3.719 4.279 . 0 0 "[ . 1 . 2]" 1
764 1 91 PHE QD 1 100 ILE HB 6.000 . 6.000 5.310 5.064 5.347 . 0 0 "[ . 1 . 2]" 1
765 1 58 MET ME 1 92 ASN HA 4.804 . 4.804 2.221 1.944 2.509 . 0 0 "[ . 1 . 2]" 1
766 1 91 PHE HA 1 92 ASN H 4.000 . 4.000 2.398 2.179 2.486 . 0 0 "[ . 1 . 2]" 1
767 1 58 MET ME 1 92 ASN QB 5.000 . 5.000 3.679 3.516 3.710 . 0 0 "[ . 1 . 2]" 1
768 1 58 MET ME 1 93 ASN HA 6.005 . 6.005 2.623 2.015 3.782 . 0 0 "[ . 1 . 2]" 1
769 1 92 ASN HA 1 93 ASN H 4.000 . 4.000 2.954 2.872 3.523 . 0 0 "[ . 1 . 2]" 1
770 1 92 ASN H 1 93 ASN H 4.000 . 4.000 2.413 1.999 2.795 . 0 0 "[ . 1 . 2]" 1
771 1 93 ASN H 1 94 ARG H 6.000 . 6.000 4.109 3.765 4.562 . 0 0 "[ . 1 . 2]" 1
772 1 93 ASN QB 1 94 ARG H 6.735 . 6.735 3.384 3.001 3.826 . 0 0 "[ . 1 . 2]" 1
773 1 93 ASN H 1 96 VAL HB 5.000 . 5.000 4.197 3.893 4.418 . 0 0 "[ . 1 . 2]" 1
774 1 58 MET ME 1 93 ASN H 6.000 . 6.000 2.506 2.090 4.237 . 0 0 "[ . 1 . 2]" 1
775 1 93 ASN H 1 96 VAL QG 6.000 . 6.000 4.332 3.950 4.452 . 0 0 "[ . 1 . 2]" 1
776 1 93 ASN QB 1 96 VAL HB 5.000 . 5.000 2.219 1.880 2.835 . 0 0 "[ . 1 . 2]" 1
777 1 93 ASN HA 1 94 ARG H 4.000 . 4.000 2.178 2.140 2.262 . 0 0 "[ . 1 . 2]" 1
778 1 58 MET ME 1 94 ARG H 6.000 . 6.000 3.096 2.423 4.279 . 0 0 "[ . 1 . 2]" 1
779 1 58 MET ME 1 94 ARG HA 5.000 . 5.000 3.804 3.228 4.164 . 0 0 "[ . 1 . 2]" 1
780 1 94 ARG HA 1 97 MET QB 6.000 . 6.000 2.954 2.321 3.951 . 0 0 "[ . 1 . 2]" 1
781 1 94 ARG HA 1 97 MET ME 5.000 . 5.000 3.724 2.975 4.163 . 0 0 "[ . 1 . 2]" 1
782 1 94 ARG QB 1 95 THR H 5.000 . 5.000 2.814 2.309 3.523 . 0 0 "[ . 1 . 2]" 1
783 1 94 ARG H 1 95 THR H 4.000 . 4.000 2.522 2.357 2.686 . 0 0 "[ . 1 . 2]" 1
784 1 94 ARG HA 1 95 THR H 5.000 . 5.000 3.516 3.487 3.564 . 0 0 "[ . 1 . 2]" 1
785 1 95 THR H 1 95 THR HB 2.800 . 2.800 2.577 2.501 2.754 . 0 0 "[ . 1 . 2]" 1
786 1 95 THR H 1 96 VAL H 4.000 . 4.000 2.579 2.351 2.772 . 0 0 "[ . 1 . 2]" 1
787 1 93 ASN QB 1 96 VAL MG2 6.740 . 6.740 1.886 1.727 2.131 0.073 9 0 "[ . 1 . 2]" 1
788 1 95 THR HA 1 96 VAL H 5.000 . 5.000 3.523 3.484 3.559 . 0 0 "[ . 1 . 2]" 1
789 1 95 THR HB 1 96 VAL H 4.000 . 4.000 2.918 2.389 4.016 0.016 8 0 "[ . 1 . 2]" 1
790 1 95 THR H 1 96 VAL MG2 4.804 . 4.804 3.836 3.588 4.000 . 0 0 "[ . 1 . 2]" 1
791 1 96 VAL H 1 96 VAL MG2 3.363 . 3.363 1.993 1.952 2.131 . 0 0 "[ . 1 . 2]" 1
792 1 96 VAL H 1 96 VAL HB 4.000 . 4.000 2.625 2.596 2.676 . 0 0 "[ . 1 . 2]" 1
793 1 96 VAL HA 1 99 ASN QB 5.000 . 5.000 2.804 2.081 3.387 . 0 0 "[ . 1 . 2]" 1
794 1 96 VAL MG1 1 100 ILE MD 6.000 . 6.000 3.192 2.769 3.764 . 0 0 "[ . 1 . 2]" 1
795 1 59 MET HA 1 97 MET ME 7.206 . 7.206 4.234 2.981 5.102 . 0 0 "[ . 1 . 2]" 1
796 1 94 ARG HA 1 97 MET H 5.000 . 5.000 3.603 3.324 3.966 . 0 0 "[ . 1 . 2]" 1
797 1 96 VAL H 1 97 MET H 4.000 . 4.000 2.572 2.353 2.896 . 0 0 "[ . 1 . 2]" 1
798 1 96 VAL MG2 1 97 MET H 4.804 . 4.804 3.682 3.546 3.773 . 0 0 "[ . 1 . 2]" 1
799 1 96 VAL HA 1 97 MET H 5.000 . 5.000 3.541 3.501 3.571 . 0 0 "[ . 1 . 2]" 1
800 1 96 VAL MG1 1 97 MET H 4.804 . 4.804 3.583 3.325 3.776 . 0 0 "[ . 1 . 2]" 1
801 1 97 MET H 1 97 MET ME 6.005 . 6.005 4.771 4.116 5.001 . 0 0 "[ . 1 . 2]" 1
802 1 97 MET H 1 97 MET QG 5.000 . 5.000 3.288 2.070 4.003 . 0 0 "[ . 1 . 2]" 1
803 1 97 MET H 1 98 ASP H 4.000 . 4.000 2.648 2.421 2.713 . 0 0 "[ . 1 . 2]" 1
804 1 91 PHE QB 1 97 MET H 6.000 . 6.000 4.084 3.555 4.577 . 0 0 "[ . 1 . 2]" 1
805 1 91 PHE QD 1 97 MET H 6.000 . 6.000 3.879 2.928 4.786 . 0 0 "[ . 1 . 2]" 1
806 1 50 ALA HA 1 97 MET ME 5.000 . 5.000 4.034 3.496 4.167 . 0 0 "[ . 1 . 2]" 1
807 1 95 THR HA 1 98 ASP QB 5.000 . 5.000 2.945 2.321 4.203 . 0 0 "[ . 1 . 2]" 1
808 1 95 THR HA 1 98 ASP H 5.000 . 5.000 3.708 3.451 3.971 . 0 0 "[ . 1 . 2]" 1
809 1 97 MET QB 1 98 ASP H 4.000 . 4.000 2.958 2.684 3.528 . 0 0 "[ . 1 . 2]" 1
810 1 97 MET QG 1 98 ASP H 5.000 . 5.000 3.678 2.011 4.448 . 0 0 "[ . 1 . 2]" 1
811 1 98 ASP HA 1 101 LYS QD 6.000 . 6.000 4.135 3.511 5.345 . 0 0 "[ . 1 . 2]" 1
812 1 98 ASP HA 1 101 LYS QE 5.000 . 5.000 4.138 3.392 4.457 . 0 0 "[ . 1 . 2]" 1
813 1 94 ARG HA 1 98 ASP H 5.000 . 5.000 4.169 3.805 4.645 . 0 0 "[ . 1 . 2]" 1
814 1 95 THR MG 1 98 ASP H 6.000 . 6.000 4.880 4.605 4.998 . 0 0 "[ . 1 . 2]" 1
815 1 96 VAL HA 1 99 ASN H 5.000 . 5.000 3.388 3.059 3.782 . 0 0 "[ . 1 . 2]" 1
816 1 98 ASP QB 1 99 ASN H 4.000 . 4.000 2.811 2.552 3.544 . 0 0 "[ . 1 . 2]" 1
817 1 98 ASP HA 1 99 ASN H 5.000 . 5.000 3.503 3.485 3.552 . 0 0 "[ . 1 . 2]" 1
818 1 98 ASP H 1 99 ASN H 4.000 . 4.000 2.526 2.317 2.682 . 0 0 "[ . 1 . 2]" 1
819 1 95 THR HA 1 99 ASN H 5.000 . 5.000 4.626 4.068 4.998 . 0 0 "[ . 1 . 2]" 1
820 1 99 ASN HA 1 102 MET ME 4.000 . 4.000 2.852 1.975 3.332 . 0 0 "[ . 1 . 2]" 1
821 1 99 ASN HA 1 102 MET QG 5.000 . 5.000 3.069 1.837 4.457 . 0 0 "[ . 1 . 2]" 1
822 1 96 VAL QG 1 99 ASN QB 6.000 . 6.000 3.314 2.869 3.813 . 0 0 "[ . 1 . 2]" 1
823 1 18 ILE MD 1 100 ILE QG 6.700 . 6.700 4.644 3.988 4.948 . 0 0 "[ . 1 . 2]" 1
824 1 18 ILE MD 1 100 ILE MG 5.000 . 5.000 2.616 1.949 2.880 . 0 0 "[ . 1 . 2]" 1
825 1 99 ASN HA 1 100 ILE H 4.000 . 4.000 3.505 3.461 3.551 . 0 0 "[ . 1 . 2]" 1
826 1 99 ASN H 1 100 ILE H 4.000 . 4.000 2.590 2.398 2.742 . 0 0 "[ . 1 . 2]" 1
827 1 99 ASN QB 1 100 ILE H 4.000 . 4.000 2.759 2.497 2.935 . 0 0 "[ . 1 . 2]" 1
828 1 100 ILE HA 1 100 ILE MD 4.804 . 4.804 1.992 1.965 2.033 . 0 0 "[ . 1 . 2]" 1
829 1 100 ILE H 1 100 ILE QG 4.100 . 4.100 2.029 1.958 2.129 . 0 0 "[ . 1 . 2]" 1
830 1 100 ILE H 1 100 ILE HB 4.000 . 4.000 2.591 2.550 2.638 . 0 0 "[ . 1 . 2]" 1
831 1 100 ILE H 1 100 ILE MG 4.804 . 4.804 3.773 3.766 3.780 . 0 0 "[ . 1 . 2]" 1
832 1 100 ILE MG 1 101 LYS H 4.000 . 4.000 3.328 3.227 3.337 . 0 0 "[ . 1 . 2]" 1
833 1 100 ILE H 1 101 LYS H 4.000 . 4.000 2.671 2.562 2.837 . 0 0 "[ . 1 . 2]" 1
834 1 100 ILE MG 1 103 THR HB 6.000 . 6.000 4.008 3.820 4.229 . 0 0 "[ . 1 . 2]" 1
835 1 97 MET HA 1 100 ILE H 4.000 . 4.000 3.536 3.188 3.961 . 0 0 "[ . 1 . 2]" 1
836 1 97 MET HA 1 100 ILE HB 5.000 . 5.000 3.314 2.809 3.913 . 0 0 "[ . 1 . 2]" 1
837 1 5 GLY QA 1 100 ILE MD 4.000 . 4.000 2.516 1.948 2.968 . 0 0 "[ . 1 . 2]" 1
838 1 16 ILE HB 1 100 ILE MD 5.000 . 5.000 4.122 3.907 4.167 . 0 0 "[ . 1 . 2]" 1
839 1 16 ILE MD 1 100 ILE MD 6.000 . 6.000 4.144 4.089 4.161 . 0 0 "[ . 1 . 2]" 1
840 1 98 ASP HA 1 101 LYS QB 4.000 . 4.000 2.968 2.751 3.249 . 0 0 "[ . 1 . 2]" 1
841 1 98 ASP HA 1 101 LYS H 5.000 . 5.000 3.623 3.290 3.943 . 0 0 "[ . 1 . 2]" 1
842 1 100 ILE HB 1 101 LYS H 4.000 . 4.000 2.313 2.242 2.371 . 0 0 "[ . 1 . 2]" 1
843 1 100 ILE MD 1 101 LYS H 6.000 . 6.000 4.573 4.482 4.606 . 0 0 "[ . 1 . 2]" 1
844 1 101 LYS H 1 101 LYS QD 5.000 . 5.000 4.415 4.159 4.457 . 0 0 "[ . 1 . 2]" 1
845 1 101 LYS H 1 101 LYS QG 5.000 . 5.000 3.822 2.559 3.986 . 0 0 "[ . 1 . 2]" 1
846 1 101 LYS H 1 102 MET H 4.000 . 4.000 2.752 2.658 2.812 . 0 0 "[ . 1 . 2]" 1
847 1 101 LYS HA 1 104 LEU QD 6.005 . 6.005 2.928 1.994 3.272 . 0 0 "[ . 1 . 2]" 1
848 1 60 LEU QD 1 101 LYS H 5.000 . 5.000 2.892 2.415 3.411 . 0 0 "[ . 1 . 2]" 1
849 1 101 LYS HA 1 104 LEU QB 4.000 . 4.000 2.531 2.256 2.871 . 0 0 "[ . 1 . 2]" 1
850 1 48 LEU QD 1 101 LYS HA 4.000 . 4.000 2.484 1.931 2.917 . 0 0 "[ . 1 . 2]" 1
851 1 101 LYS HA 1 104 LEU MD1 4.000 . 4.000 2.986 1.996 3.332 . 0 0 "[ . 1 . 2]" 1
852 1 99 ASN HA 1 102 MET QB 4.000 . 4.000 3.179 2.592 3.581 . 0 0 "[ . 1 . 2]" 1
853 1 99 ASN HA 1 102 MET H 5.000 . 5.000 3.826 3.586 3.996 . 0 0 "[ . 1 . 2]" 1
854 1 101 LYS HA 1 102 MET H 4.000 . 4.000 3.547 3.493 3.558 . 0 0 "[ . 1 . 2]" 1
855 1 101 LYS QG 1 102 MET H 5.000 . 5.000 3.816 3.593 4.247 . 0 0 "[ . 1 . 2]" 1
856 1 101 LYS QB 1 102 MET H 4.000 . 4.000 2.485 2.382 2.780 . 0 0 "[ . 1 . 2]" 1
857 1 102 MET H 1 102 MET QG 5.000 . 5.000 3.079 2.043 3.975 . 0 0 "[ . 1 . 2]" 1
858 1 102 MET HA 1 105 GLN QG 5.000 . 5.000 3.086 1.922 4.441 . 0 0 "[ . 1 . 2]" 1
859 1 60 LEU QD 1 102 MET H 6.700 . 6.700 4.594 4.151 4.971 . 0 0 "[ . 1 . 2]" 1
860 1 98 ASP HA 1 102 MET H 5.000 . 5.000 3.785 3.480 4.466 . 0 0 "[ . 1 . 2]" 1
861 1 18 ILE MD 1 103 THR HB 5.000 . 5.000 2.586 1.940 2.931 . 0 0 "[ . 1 . 2]" 1
862 1 100 ILE HA 1 103 THR HB 4.000 . 4.000 2.898 2.635 2.998 . 0 0 "[ . 1 . 2]" 1
863 1 102 MET QG 1 103 THR H 4.000 . 4.000 2.884 2.010 3.574 . 0 0 "[ . 1 . 2]" 1
864 1 102 MET QB 1 103 THR H 4.000 . 4.000 3.005 2.328 3.568 . 0 0 "[ . 1 . 2]" 1
865 1 102 MET HA 1 103 THR H 4.000 . 4.000 3.519 3.478 3.563 . 0 0 "[ . 1 . 2]" 1
866 1 102 MET H 1 103 THR H 4.000 . 4.000 2.681 2.508 2.815 . 0 0 "[ . 1 . 2]" 1
867 1 103 THR H 1 103 THR MG 4.804 . 4.804 3.760 3.749 3.774 . 0 0 "[ . 1 . 2]" 1
868 1 103 THR H 1 103 THR HB 4.000 . 4.000 2.496 2.454 2.532 . 0 0 "[ . 1 . 2]" 1
869 1 103 THR HA 1 106 GLN H 4.000 . 4.000 3.586 3.391 3.832 . 0 0 "[ . 1 . 2]" 1
870 1 100 ILE HA 1 103 THR H 4.000 . 4.000 3.634 3.495 3.836 . 0 0 "[ . 1 . 2]" 1
871 1 99 ASN HA 1 103 THR H 5.000 . 5.000 4.017 3.641 4.418 . 0 0 "[ . 1 . 2]" 1
872 1 103 THR HA 1 106 GLN QB 4.000 . 4.000 3.173 2.679 3.572 . 0 0 "[ . 1 . 2]" 1
873 1 103 THR HA 1 106 GLN QG 5.000 . 5.000 2.947 1.960 4.322 . 0 0 "[ . 1 . 2]" 1
874 1 103 THR MG 1 107 ILE MD 5.000 . 5.000 2.247 1.684 2.766 0.116 7 0 "[ . 1 . 2]" 1
875 1 100 ILE HA 1 103 THR MG 5.000 . 5.000 4.154 3.970 4.168 . 0 0 "[ . 1 . 2]" 1
876 1 103 THR HB 1 104 LEU H 4.000 . 4.000 2.769 2.336 3.034 . 0 0 "[ . 1 . 2]" 1
877 1 103 THR HA 1 104 LEU H 4.000 . 4.000 3.504 3.456 3.565 . 0 0 "[ . 1 . 2]" 1
878 1 103 THR H 1 104 LEU H 4.000 . 4.000 2.506 2.328 2.736 . 0 0 "[ . 1 . 2]" 1
879 1 104 LEU H 1 104 LEU HG 4.000 . 4.000 3.546 2.487 4.002 0.002 12 0 "[ . 1 . 2]" 1
880 1 104 LEU H 1 104 LEU QD 4.804 . 4.804 3.100 2.192 3.567 . 0 0 "[ . 1 . 2]" 1
881 1 104 LEU HA 1 107 ILE MD 4.000 . 4.000 2.013 1.840 2.424 . 0 0 "[ . 1 . 2]" 1
882 1 48 LEU QD 1 104 LEU H 5.000 . 5.000 3.598 3.307 3.712 . 0 0 "[ . 1 . 2]" 1
883 1 101 LYS HA 1 104 LEU H 5.000 . 5.000 3.409 3.181 3.796 . 0 0 "[ . 1 . 2]" 1
884 1 48 LEU QD 1 104 LEU QB 6.700 . 6.700 1.809 1.664 2.152 0.136 9 0 "[ . 1 . 2]" 1
885 1 62 LEU QD 1 104 LEU QD 6.700 . 6.700 1.859 1.665 2.250 0.135 1 0 "[ . 1 . 2]" 1
886 1 27 LEU QD 1 104 LEU QD 5.000 . 5.000 2.497 1.958 2.752 . 0 0 "[ . 1 . 2]" 1
887 1 48 LEU QD 1 104 LEU QD 6.700 . 6.700 2.285 1.872 2.936 . 0 0 "[ . 1 . 2]" 1
888 1 45 ILE QG 1 104 LEU QD 5.000 . 5.000 2.727 1.838 3.305 . 0 0 "[ . 1 . 2]" 1
889 1 102 MET HA 1 105 GLN H 5.000 . 5.000 3.624 3.429 3.744 . 0 0 "[ . 1 . 2]" 1
890 1 104 LEU QB 1 105 GLN H 4.000 . 4.000 2.745 2.505 2.948 . 0 0 "[ . 1 . 2]" 1
891 1 104 LEU H 1 105 GLN H 4.000 . 4.000 2.533 2.329 2.751 . 0 0 "[ . 1 . 2]" 1
892 1 105 GLN H 1 105 GLN QG 4.000 . 4.000 2.632 2.116 3.067 . 0 0 "[ . 1 . 2]" 1
893 1 105 GLN HA 1 106 GLN H 4.000 . 4.000 3.492 3.478 3.533 . 0 0 "[ . 1 . 2]" 1
894 1 105 GLN H 1 106 GLN H 4.000 . 4.000 2.589 2.385 2.723 . 0 0 "[ . 1 . 2]" 1
895 1 105 GLN QB 1 106 GLN H 4.000 . 4.000 3.081 2.645 3.569 . 0 0 "[ . 1 . 2]" 1
896 1 105 GLN HA 1 108 ILE MG 6.005 . 6.005 4.547 4.321 4.936 . 0 0 "[ . 1 . 2]" 1
897 1 105 GLN HA 1 108 ILE H 5.000 . 5.000 3.619 3.360 4.028 . 0 0 "[ . 1 . 2]" 1
898 1 101 LYS HA 1 105 GLN H 5.000 . 5.000 3.973 3.667 4.222 . 0 0 "[ . 1 . 2]" 1
899 1 105 GLN HA 1 108 ILE HB 4.000 . 4.000 3.193 2.954 3.584 . 0 0 "[ . 1 . 2]" 1
900 1 105 GLN HA 1 108 ILE QG 5.000 . 5.000 3.762 3.018 4.347 . 0 0 "[ . 1 . 2]" 1
901 1 105 GLN HA 1 108 ILE MD 4.000 . 4.000 2.703 2.207 3.326 . 0 0 "[ . 1 . 2]" 1
902 1 102 MET HA 1 105 GLN QB 4.000 . 4.000 3.059 2.612 3.575 . 0 0 "[ . 1 . 2]" 1
903 1 48 LEU QD 1 105 GLN QG 5.000 . 5.000 2.289 1.678 3.307 0.122 15 0 "[ . 1 . 2]" 1
904 1 105 GLN QG 1 106 GLN H 5.000 . 5.000 3.600 1.986 4.455 . 0 0 "[ . 1 . 2]" 1
905 1 106 GLN H 1 106 GLN QG 4.000 . 4.000 2.623 2.122 3.044 . 0 0 "[ . 1 . 2]" 1
906 1 106 GLN H 1 107 ILE QG 6.000 . 6.000 3.854 3.703 4.145 . 0 0 "[ . 1 . 2]" 1
907 1 103 THR MG 1 106 GLN H 6.000 . 6.000 4.656 4.277 4.954 . 0 0 "[ . 1 . 2]" 1
908 1 25 ALA MB 1 107 ILE MG 5.769 . 5.769 2.064 1.755 2.623 0.045 9 0 "[ . 1 . 2]" 1
909 1 106 GLN HA 1 107 ILE H 4.000 . 4.000 3.511 3.476 3.548 . 0 0 "[ . 1 . 2]" 1
910 1 106 GLN QB 1 107 ILE H 4.000 . 4.000 3.033 2.568 3.573 . 0 0 "[ . 1 . 2]" 1
911 1 106 GLN H 1 107 ILE H 4.000 . 4.000 2.503 2.365 2.742 . 0 0 "[ . 1 . 2]" 1
912 1 107 ILE H 1 107 ILE MD 4.804 . 4.804 3.200 2.979 3.549 . 0 0 "[ . 1 . 2]" 1
913 1 107 ILE H 1 107 ILE QG 4.000 . 4.000 1.996 1.967 2.091 . 0 0 "[ . 1 . 2]" 1
914 1 107 ILE H 1 107 ILE HB 4.000 . 4.000 2.611 2.585 2.633 . 0 0 "[ . 1 . 2]" 1
915 1 107 ILE H 1 107 ILE MG 4.804 . 4.804 3.773 3.765 3.785 . 0 0 "[ . 1 . 2]" 1
916 1 107 ILE HA 1 110 ARG QB 4.000 . 4.000 2.953 2.538 3.570 . 0 0 "[ . 1 . 2]" 1
917 1 107 ILE HA 1 110 ARG H 4.000 . 4.000 3.658 3.479 3.815 . 0 0 "[ . 1 . 2]" 1
918 1 104 LEU HA 1 107 ILE H 4.000 . 4.000 3.403 3.202 3.884 . 0 0 "[ . 1 . 2]" 1
919 1 104 LEU HA 1 107 ILE HB 4.000 . 4.000 3.112 2.556 3.550 . 0 0 "[ . 1 . 2]" 1
920 1 42 LEU QD 1 108 ILE QG 8.094 . 8.094 3.927 3.432 4.534 . 0 0 "[ . 1 . 2]" 1
921 1 107 ILE H 1 108 ILE H 4.000 . 4.000 2.597 2.424 2.780 . 0 0 "[ . 1 . 2]" 1
922 1 107 ILE HB 1 108 ILE H 5.000 . 5.000 2.617 2.186 2.945 . 0 0 "[ . 1 . 2]" 1
923 1 107 ILE MD 1 108 ILE H 6.005 . 6.005 4.244 3.866 4.636 . 0 0 "[ . 1 . 2]" 1
924 1 107 ILE HA 1 108 ILE H 4.000 . 4.000 3.532 3.479 3.572 . 0 0 "[ . 1 . 2]" 1
925 1 107 ILE MG 1 108 ILE H 4.804 . 4.804 3.590 3.234 3.834 . 0 0 "[ . 1 . 2]" 1
926 1 108 ILE H 1 108 ILE QG 4.000 . 4.000 2.005 1.961 2.131 . 0 0 "[ . 1 . 2]" 1
927 1 108 ILE H 1 108 ILE MD 4.804 . 4.804 3.293 2.706 3.653 . 0 0 "[ . 1 . 2]" 1
928 1 108 ILE H 1 108 ILE HB 4.000 . 4.000 2.618 2.591 2.667 . 0 0 "[ . 1 . 2]" 1
929 1 108 ILE H 1 109 SER H 4.000 . 4.000 2.520 2.358 2.682 . 0 0 "[ . 1 . 2]" 1
930 1 45 ILE HB 1 108 ILE MG 6.000 . 6.000 3.849 3.317 4.528 . 0 0 "[ . 1 . 2]" 1
931 1 47 LYS HA 1 108 ILE MG 6.000 . 6.000 4.130 3.487 4.725 . 0 0 "[ . 1 . 2]" 1
932 1 108 ILE MG 1 112 LYS QE 5.000 . 5.000 2.757 1.817 3.710 . 0 0 "[ . 1 . 2]" 1
933 1 48 LEU HG 1 108 ILE MD 6.000 . 6.000 2.977 2.116 4.018 . 0 0 "[ . 1 . 2]" 1
934 1 104 LEU QB 1 108 ILE MD 6.000 . 6.000 2.827 1.922 3.380 . 0 0 "[ . 1 . 2]" 1
935 1 108 ILE HA 1 109 SER H 5.000 . 5.000 3.520 3.482 3.565 . 0 0 "[ . 1 . 2]" 1
936 1 108 ILE MD 1 109 SER H 6.005 . 6.005 4.356 4.080 4.723 . 0 0 "[ . 1 . 2]" 1
937 1 108 ILE HB 1 109 SER H 4.000 . 4.000 2.688 2.335 2.921 . 0 0 "[ . 1 . 2]" 1
938 1 108 ILE MG 1 109 SER H 4.804 . 4.804 3.675 3.430 3.823 . 0 0 "[ . 1 . 2]" 1
939 1 109 SER H 1 109 SER QB 3.143 . 3.143 2.311 2.160 2.731 . 0 0 "[ . 1 . 2]" 1
940 1 109 SER QB 1 110 ARG H 4.490 . 4.490 2.977 2.585 3.561 . 0 0 "[ . 1 . 2]" 1
941 1 109 SER H 1 110 ARG H 4.000 . 4.000 2.546 2.354 2.713 . 0 0 "[ . 1 . 2]" 1
942 1 105 GLN HA 1 109 SER H 5.000 . 5.000 3.990 3.539 4.603 . 0 0 "[ . 1 . 2]" 1
943 1 109 SER HA 1 112 LYS QG 5.000 . 5.000 2.558 1.837 3.813 . 0 0 "[ . 1 . 2]" 1
944 1 108 ILE HA 1 110 ARG H 5.000 . 5.000 4.200 3.851 4.511 . 0 0 "[ . 1 . 2]" 1
945 1 109 SER HA 1 110 ARG H 4.000 . 4.000 3.495 3.466 3.532 . 0 0 "[ . 1 . 2]" 1
946 1 110 ARG H 1 110 ARG QD 5.000 . 5.000 4.117 3.255 4.451 . 0 0 "[ . 1 . 2]" 1
947 1 110 ARG H 1 110 ARG QG 4.000 . 4.000 2.774 2.137 3.565 . 0 0 "[ . 1 . 2]" 1
948 1 106 GLN HA 1 110 ARG H 5.000 . 5.000 4.030 3.756 4.742 . 0 0 "[ . 1 . 2]" 1
949 1 107 ILE MG 1 110 ARG H 6.000 . 6.000 4.793 4.474 4.981 . 0 0 "[ . 1 . 2]" 1
950 1 108 ILE HA 1 111 TYR H 4.000 . 4.000 3.486 3.105 3.715 . 0 0 "[ . 1 . 2]" 1
951 1 109 SER HA 1 111 TYR H 5.000 . 5.000 4.188 3.966 4.517 . 0 0 "[ . 1 . 2]" 1
952 1 110 ARG H 1 111 TYR H 4.000 . 4.000 2.523 2.286 2.714 . 0 0 "[ . 1 . 2]" 1
953 1 110 ARG QG 1 111 TYR H 5.000 . 5.000 3.938 2.006 4.456 . 0 0 "[ . 1 . 2]" 1
954 1 110 ARG HA 1 111 TYR H 4.000 . 4.000 3.497 3.474 3.548 . 0 0 "[ . 1 . 2]" 1
955 1 111 TYR H 1 112 LYS H 2.800 . 2.800 2.440 2.259 2.584 . 0 0 "[ . 1 . 2]" 1
956 1 111 TYR QB 1 112 LYS H 4.000 . 4.000 3.462 3.199 3.574 . 0 0 "[ . 1 . 2]" 1
957 1 111 TYR HA 1 112 LYS H 4.000 . 4.000 3.233 3.157 3.382 . 0 0 "[ . 1 . 2]" 1
958 1 111 TYR HA 1 114 ALA MB 7.206 . 7.206 3.382 2.067 5.505 . 0 0 "[ . 1 . 2]" 1
959 1 107 ILE HA 1 111 TYR H 5.000 . 5.000 4.560 4.143 4.945 . 0 0 "[ . 1 . 2]" 1
960 1 107 ILE MG 1 111 TYR H 6.000 . 6.000 4.580 4.336 4.877 . 0 0 "[ . 1 . 2]" 1
961 1 108 ILE HA 1 111 TYR QD 4.000 . 4.000 3.306 2.721 3.565 . 0 0 "[ . 1 . 2]" 1
962 1 24 PRO HA 1 111 TYR QE 6.000 . 6.000 3.794 2.179 4.404 . 0 0 "[ . 1 . 2]" 1
963 1 25 ALA MB 1 111 TYR QE 5.000 . 5.000 2.424 1.869 3.422 . 0 0 "[ . 1 . 2]" 1
964 1 107 ILE MG 1 111 TYR QE 4.000 . 4.000 1.985 1.855 2.969 . 0 0 "[ . 1 . 2]" 1
965 1 109 SER HA 1 112 LYS QB 4.000 . 4.000 2.460 1.981 3.569 . 0 0 "[ . 1 . 2]" 1
966 1 110 ARG HA 1 112 LYS H 5.000 . 5.000 3.846 3.584 4.089 . 0 0 "[ . 1 . 2]" 1
967 1 112 LYS H 1 112 LYS QB 3.143 . 3.143 2.252 2.057 2.621 . 0 0 "[ . 1 . 2]" 1
968 1 112 LYS H 1 112 LYS QG 4.000 . 4.000 3.005 2.106 3.436 . 0 0 "[ . 1 . 2]" 1
969 1 109 SER HA 1 112 LYS H 4.000 . 4.000 3.447 3.143 3.669 . 0 0 "[ . 1 . 2]" 1
970 1 108 ILE HA 1 112 LYS H 6.000 . 6.000 4.777 3.853 5.602 . 0 0 "[ . 1 . 2]" 1
971 1 109 SER QB 1 112 LYS H 6.000 . 6.000 4.812 4.586 5.080 . 0 0 "[ . 1 . 2]" 1
972 1 108 ILE MG 1 112 LYS QG 5.000 . 5.000 2.669 1.862 3.710 . 0 0 "[ . 1 . 2]" 1
973 1 109 SER HA 1 112 LYS QD 5.000 . 5.000 3.432 2.009 4.455 . 0 0 "[ . 1 . 2]" 1
974 1 112 LYS H 1 113 ASP H 2.800 . 2.800 2.376 1.998 2.795 . 0 0 "[ . 1 . 2]" 1
975 1 112 LYS QG 1 113 ASP H 5.000 . 5.000 4.039 2.172 4.455 . 0 0 "[ . 1 . 2]" 1
976 1 112 LYS QB 1 113 ASP H 4.490 . 4.490 2.815 2.112 3.561 . 0 0 "[ . 1 . 2]" 1
977 1 113 ASP QB 1 114 ALA H 4.000 . 4.000 2.926 2.102 3.573 . 0 0 "[ . 1 . 2]" 1
978 1 113 ASP H 1 114 ALA H 2.800 . 2.800 2.281 2.000 2.723 . 0 0 "[ . 1 . 2]" 1
979 1 110 ARG HA 1 113 ASP H 5.000 . 5.000 4.247 3.642 4.968 . 0 0 "[ . 1 . 2]" 1
980 1 109 SER HA 1 113 ASP H 5.000 . 5.000 4.625 3.782 5.002 0.002 4 0 "[ . 1 . 2]" 1
981 1 114 ALA H 1 114 ALA MB 3.363 . 3.363 2.334 2.085 2.813 . 0 0 "[ . 1 . 2]" 1
982 1 114 ALA H 1 115 ASP H 2.800 . 2.800 2.639 2.237 2.801 0.001 4 0 "[ . 1 . 2]" 1
983 1 114 ALA HA 1 115 ASP H 4.000 . 4.000 3.312 2.482 3.569 . 0 0 "[ . 1 . 2]" 1
984 1 114 ALA MB 1 115 ASP H 4.804 . 4.804 2.833 1.968 3.708 . 0 0 "[ . 1 . 2]" 1
985 1 111 TYR HA 1 115 ASP H 5.000 . 5.000 3.518 2.068 5.002 0.002 2 0 "[ . 1 . 2]" 1
986 2 1 ASP HA 2 2 LEU H 4.000 . 4.000 2.721 2.185 3.555 . 0 0 "[ . 1 . 2]" 1
987 2 1 ASP QB 2 2 LEU H 5.000 . 5.000 3.702 2.440 4.020 . 0 0 "[ . 1 . 2]" 1
988 2 2 LEU QB 2 2 LEU HG 2.800 . 2.800 2.426 2.170 2.484 . 0 0 "[ . 1 . 2]" 1
989 2 2 LEU H 2 3 ASP H 2.800 . 2.800 2.207 1.992 2.630 . 0 0 "[ . 1 . 2]" 1
990 2 2 LEU HA 2 3 ASP H 4.000 . 4.000 3.297 3.152 3.569 . 0 0 "[ . 1 . 2]" 1
991 2 3 ASP H 2 4 GLU H 2.800 . 2.800 2.492 2.260 2.708 . 0 0 "[ . 1 . 2]" 1
992 2 3 ASP HA 2 4 GLU H 4.000 . 4.000 3.482 3.179 3.570 . 0 0 "[ . 1 . 2]" 1
993 2 3 ASP HA 2 6 TRP HD1 6.500 3.000 6.500 4.773 2.999 5.586 0.001 2 0 "[ . 1 . 2]" 1
994 2 3 ASP QB 2 4 GLU H 5.612 . 5.612 2.922 2.114 3.561 . 0 0 "[ . 1 . 2]" 1
995 2 4 GLU H 2 5 SER H 2.800 . 2.800 2.642 2.257 2.802 0.002 7 0 "[ . 1 . 2]" 1
996 2 4 GLU HA 2 5 SER H 4.000 . 4.000 3.524 3.488 3.563 . 0 0 "[ . 1 . 2]" 1
997 2 5 SER HA 2 6 TRP H 5.000 . 5.000 3.502 3.482 3.569 . 0 0 "[ . 1 . 2]" 1
998 2 5 SER H 2 6 TRP H 3.400 . 3.400 2.529 2.260 2.838 . 0 0 "[ . 1 . 2]" 1
999 2 6 TRP H 2 7 ASP H 3.400 . 3.400 2.564 2.263 2.742 . 0 0 "[ . 1 . 2]" 1
1000 2 6 TRP HA 2 7 ASP H 5.000 . 5.000 3.468 3.273 3.498 . 0 0 "[ . 1 . 2]" 1
1001 2 6 TRP QB 2 7 ASP H 5.000 . 5.000 2.966 2.879 3.427 . 0 0 "[ . 1 . 2]" 1
1002 2 7 ASP HA 2 10 PHE QD 6.735 . 6.735 3.716 2.991 4.505 . 0 0 "[ . 1 . 2]" 1
1003 2 7 ASP QB 2 8 TYR H 4.000 . 4.000 2.861 2.622 3.065 . 0 0 "[ . 1 . 2]" 1
1004 2 7 ASP H 2 8 TYR H 3.400 . 3.400 2.448 2.258 2.737 . 0 0 "[ . 1 . 2]" 1
1005 2 8 TYR H 2 8 TYR QD 5.612 . 5.612 3.511 2.460 4.227 . 0 0 "[ . 1 . 2]" 1
1006 2 8 TYR HA 2 11 GLU QG 6.000 . 6.000 3.879 1.841 4.534 . 0 0 "[ . 1 . 2]" 1
1007 2 6 TRP HH2 2 9 ILE MG 7.206 . 7.206 5.004 4.488 5.526 . 0 0 "[ . 1 . 2]" 1
1008 2 6 TRP HE3 2 9 ILE MG 7.206 . 7.206 3.048 1.831 4.836 . 0 0 "[ . 1 . 2]" 1
1009 2 8 TYR HA 2 9 ILE H 5.000 . 5.000 3.485 3.263 3.568 . 0 0 "[ . 1 . 2]" 1
1010 2 8 TYR H 2 9 ILE H 2.800 . 2.800 2.457 2.141 2.802 0.002 9 0 "[ . 1 . 2]" 1
1011 2 8 TYR QD 2 9 ILE HA 6.735 . 6.735 4.757 3.021 5.995 . 0 0 "[ . 1 . 2]" 1
1012 2 6 TRP HE3 2 10 PHE QD 6.735 . 6.735 5.766 4.907 6.006 . 0 0 "[ . 1 . 2]" 1
1013 2 6 TRP HD1 2 10 PHE HZ 6.000 . 6.000 5.671 4.581 6.004 0.004 2 0 "[ . 1 . 2]" 1
1014 2 9 ILE HA 2 10 PHE H 5.000 . 5.000 3.495 3.464 3.549 . 0 0 "[ . 1 . 2]" 1
1015 2 9 ILE QG 2 10 PHE H 5.000 . 5.000 3.771 2.344 3.986 . 0 0 "[ . 1 . 2]" 1
1016 2 10 PHE HA 2 11 GLU H 4.000 . 4.000 3.407 3.148 3.573 . 0 0 "[ . 1 . 2]" 1
1017 2 11 GLU H 2 12 THR H 5.000 . 5.000 2.526 2.158 2.937 . 0 0 "[ . 1 . 2]" 1
1018 2 12 THR HB 2 13 THR H 5.000 . 5.000 3.513 2.016 4.369 . 0 0 "[ . 1 . 2]" 1
1019 2 12 THR H 2 13 THR H 5.000 . 5.000 4.357 2.563 4.641 . 0 0 "[ . 1 . 2]" 1
1020 2 12 THR HA 2 13 THR H 4.000 . 4.000 2.361 2.140 3.552 . 0 0 "[ . 1 . 2]" 1
1021 2 12 THR MG 2 13 THR H 6.005 . 6.005 3.214 1.891 4.222 . 0 0 "[ . 1 . 2]" 1
1022 2 4 GLU HA 2 7 ASP QB 6.000 . 6.000 3.069 2.018 3.886 . 0 0 "[ . 1 . 2]" 1
1023 2 8 TYR HA 2 11 GLU QB 6.000 . 6.000 2.404 1.975 3.594 . 0 0 "[ . 1 . 2]" 1
1024 1 59 MET QG 2 6 TRP HH2 6.500 . 6.500 5.638 4.858 5.793 . 0 0 "[ . 1 . 2]" 1
1025 1 59 MET ME 2 6 TRP HA 6.500 . 6.500 4.277 3.377 5.366 . 0 0 "[ . 1 . 2]" 1
1026 1 59 MET ME 2 6 TRP HZ3 6.500 . 6.500 3.842 2.029 4.962 . 0 0 "[ . 1 . 2]" 1
1027 1 88 MET ME 2 6 TRP QB 6.500 . 6.500 4.055 1.959 4.825 . 0 0 "[ . 1 . 2]" 1
1028 1 88 MET ME 2 6 TRP HD1 6.500 . 6.500 2.950 1.959 3.810 . 0 0 "[ . 1 . 2]" 1
1029 1 88 MET QG 2 6 TRP HD1 6.500 . 6.500 3.765 2.687 4.866 . 0 0 "[ . 1 . 2]" 1
1030 1 59 MET ME 2 9 ILE MG 6.500 . 6.500 2.779 1.826 3.679 . 0 0 "[ . 1 . 2]" 1
1031 1 59 MET ME 2 9 ILE QG 6.500 . 6.500 3.622 3.267 4.273 . 0 0 "[ . 1 . 2]" 1
1032 1 88 MET ME 2 9 ILE MG 6.500 . 6.500 4.112 3.685 4.511 . 0 0 "[ . 1 . 2]" 1
1033 1 57 LYS QG 2 9 ILE MG 6.500 . 6.500 4.387 3.258 4.827 . 0 0 "[ . 1 . 2]" 1
1034 1 59 MET ME 2 9 ILE MD 6.500 . 6.500 2.043 1.740 2.791 0.060 6 0 "[ . 1 . 2]" 1
1035 1 88 MET ME 2 9 ILE MD 6.500 . 6.500 4.401 2.605 4.511 . 0 0 "[ . 1 . 2]" 1
1036 1 57 LYS QE 2 9 ILE MD 6.500 . 6.500 3.098 2.146 4.493 . 0 0 "[ . 1 . 2]" 1
1037 1 57 LYS QD 2 9 ILE MD 6.500 . 6.500 3.075 1.933 4.387 . 0 0 "[ . 1 . 2]" 1
1038 1 57 LYS QG 2 9 ILE MD 6.500 . 6.500 2.509 1.739 4.525 0.061 13 0 "[ . 1 . 2]" 1
1039 1 57 LYS QB 2 9 ILE MD 6.500 . 6.500 3.048 1.798 4.105 0.002 11 0 "[ . 1 . 2]" 1
1040 1 57 LYS HA 2 9 ILE MD 6.500 . 6.500 4.984 4.000 5.414 . 0 0 "[ . 1 . 2]" 1
1041 1 59 MET ME 2 10 PHE QD 6.500 . 6.500 4.221 3.720 4.818 . 0 0 "[ . 1 . 2]" 1
1042 1 59 MET ME 2 10 PHE QE 6.500 . 6.500 2.772 1.948 3.691 . 0 0 "[ . 1 . 2]" 1
1043 1 88 MET ME 2 10 PHE QD 6.500 . 6.500 3.782 3.168 4.029 . 0 0 "[ . 1 . 2]" 1
1044 1 88 MET ME 2 10 PHE QE 6.500 . 6.500 1.900 1.822 1.967 . 0 0 "[ . 1 . 2]" 1
1045 1 88 MET QG 2 10 PHE HZ 6.500 . 6.500 4.145 3.016 5.004 . 0 0 "[ . 1 . 2]" 1
1046 1 88 MET QB 2 10 PHE QD 6.500 . 6.500 3.393 3.074 3.798 . 0 0 "[ . 1 . 2]" 1
1047 1 88 MET QB 2 10 PHE QB 6.500 . 6.500 4.004 3.748 4.356 . 0 0 "[ . 1 . 2]" 1
1048 1 88 MET QB 2 10 PHE HA 6.500 . 6.500 5.797 5.792 5.807 . 0 0 "[ . 1 . 2]" 1
1049 1 60 LEU HA 2 10 PHE HZ 6.500 . 6.500 5.419 4.493 6.174 . 0 0 "[ . 1 . 2]" 1
1050 1 60 LEU HA 2 10 PHE QE 6.500 . 6.500 3.239 2.501 3.877 . 0 0 "[ . 1 . 2]" 1
1051 1 51 THR HA 2 10 PHE HA 6.500 . 6.500 3.980 3.159 4.619 . 0 0 "[ . 1 . 2]" 1
1052 1 51 THR HA 2 10 PHE QD 6.500 . 6.500 4.589 3.690 5.241 . 0 0 "[ . 1 . 2]" 1
1053 1 51 THR HB 2 10 PHE QD 6.500 . 6.500 5.523 4.741 5.793 . 0 0 "[ . 1 . 2]" 1
1054 1 51 THR HG1 2 10 PHE QE 6.500 . 6.500 2.720 1.977 3.231 . 0 0 "[ . 1 . 2]" 1
1055 1 51 THR HG1 2 10 PHE HZ 6.500 . 6.500 3.983 3.451 4.682 . 0 0 "[ . 1 . 2]" 1
1056 1 50 ALA HA 2 10 PHE QE 6.500 . 6.500 3.934 3.287 4.289 . 0 0 "[ . 1 . 2]" 1
1057 1 50 ALA HA 2 10 PHE QD 6.500 . 6.500 3.208 2.869 3.379 . 0 0 "[ . 1 . 2]" 1
1058 1 50 ALA MB 2 10 PHE QE 6.500 . 6.500 4.755 4.461 4.825 . 0 0 "[ . 1 . 2]" 1
1059 1 50 ALA MB 2 10 PHE QD 6.500 . 6.500 4.632 4.245 4.824 . 0 0 "[ . 1 . 2]" 1
1060 1 49 GLN HA 2 10 PHE HA 6.500 . 6.500 6.477 6.181 6.510 0.010 5 0 "[ . 1 . 2]" 1
1061 1 49 GLN QB 2 10 PHE QD 6.500 . 6.500 4.207 3.336 4.952 . 0 0 "[ . 1 . 2]" 1
1062 1 49 GLN QG 2 10 PHE HA 6.500 . 6.500 4.134 3.270 5.787 . 0 0 "[ . 1 . 2]" 1
1063 1 49 GLN QG 2 10 PHE QB 6.500 . 6.500 4.016 3.024 4.689 . 0 0 "[ . 1 . 2]" 1
1064 1 49 GLN QG 2 10 PHE QD 6.500 . 6.500 4.673 3.618 5.165 . 0 0 "[ . 1 . 2]" 1
1065 1 57 LYS QE 2 6 TRP HZ3 6.500 . 6.500 3.076 2.167 4.403 . 0 0 "[ . 1 . 2]" 1
1066 1 57 LYS QE 2 6 TRP HZ2 6.500 . 6.500 4.286 2.312 5.786 . 0 0 "[ . 1 . 2]" 1
1067 1 57 LYS QE 2 6 TRP HH2 6.500 . 6.500 2.613 1.871 3.978 . 0 0 "[ . 1 . 2]" 1
1068 1 57 LYS QE 2 6 TRP HE3 6.500 . 6.500 4.968 4.192 5.711 . 0 0 "[ . 1 . 2]" 1
1069 1 51 THR HG1 2 9 ILE MD 6.500 . 6.500 2.409 1.853 4.173 . 0 0 "[ . 1 . 2]" 1
1070 1 51 THR HG1 2 10 PHE HA 6.500 . 6.500 3.104 2.446 3.529 . 0 0 "[ . 1 . 2]" 1
1071 1 49 GLN QB 2 10 PHE QB 6.500 . 6.500 3.613 3.084 4.202 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 1.304
_Distance_constraint_stats_list.Viol_max 0.008
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0033
_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 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.058 0.008 9 0 "[ . 1 . 2]"
1 26 GLU 0.058 0.008 9 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 0.002 0.001 17 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.002 0.001 17 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.005 0.003 10 0 "[ . 1 . 2]"
1 60 LEU 0.001 0.001 9 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.005 0.003 10 0 "[ . 1 . 2]"
1 87 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.001 0.001 9 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 19 ASN O 1 26 GLU H 2.000 . 2.500 2.453 2.153 2.508 0.008 9 0 "[ . 1 . 2]" 2
2 1 19 ASN O 1 26 GLU N 3.000 2.300 3.500 3.320 2.918 3.470 . 0 0 "[ . 1 . 2]" 2
3 1 27 LEU H 1 40 VAL O 2.000 . 2.500 1.928 1.662 2.496 . 0 0 "[ . 1 . 2]" 2
4 1 27 LEU N 1 40 VAL O 3.000 2.300 3.500 2.842 2.577 3.338 . 0 0 "[ . 1 . 2]" 2
5 1 17 ALA O 1 28 THR H 2.000 . 2.500 1.787 1.691 2.020 . 0 0 "[ . 1 . 2]" 2
6 1 17 ALA O 1 28 THR N 3.000 2.300 3.500 2.732 2.588 2.922 . 0 0 "[ . 1 . 2]" 2
7 1 29 TRP H 1 38 HIS O 2.000 . 2.500 2.181 1.837 2.501 0.001 17 0 "[ . 1 . 2]" 2
8 1 29 TRP N 1 38 HIS O 3.000 2.300 3.500 2.999 2.631 3.389 . 0 0 "[ . 1 . 2]" 2
9 1 15 ILE O 1 30 ARG H 2.000 . 2.500 2.018 1.846 2.234 . 0 0 "[ . 1 . 2]" 2
10 1 15 ILE O 1 30 ARG N 3.000 2.300 3.500 2.943 2.762 3.160 . 0 0 "[ . 1 . 2]" 2
11 1 5 GLY O 1 16 ILE H 2.000 . 2.500 1.932 1.766 2.101 . 0 0 "[ . 1 . 2]" 2
12 1 5 GLY O 1 16 ILE N 3.000 2.300 3.500 2.890 2.686 3.050 . 0 0 "[ . 1 . 2]" 2
13 1 17 ALA H 1 28 THR O 2.000 . 2.500 1.698 1.630 2.003 . 0 0 "[ . 1 . 2]" 2
14 1 17 ALA N 1 28 THR O 3.000 2.300 3.500 2.631 2.569 2.929 . 0 0 "[ . 1 . 2]" 2
15 1 60 LEU H 1 89 PHE O 2.000 . 2.500 2.083 1.679 2.501 0.001 9 0 "[ . 1 . 2]" 2
16 1 60 LEU N 1 89 PHE O 3.000 2.300 3.500 2.973 2.594 3.384 . 0 0 "[ . 1 . 2]" 2
17 1 62 LEU H 1 87 HIS O 2.000 . 2.500 1.780 1.635 2.166 . 0 0 "[ . 1 . 2]" 2
18 1 62 LEU N 1 87 HIS O 3.000 2.300 3.500 2.669 2.574 2.960 . 0 0 "[ . 1 . 2]" 2
19 1 47 LYS O 1 63 ILE H 2.000 . 2.500 2.091 1.666 2.503 0.003 10 0 "[ . 1 . 2]" 2
20 1 47 LYS O 1 63 ILE N 3.000 2.300 3.500 3.024 2.592 3.481 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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