NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482541 |
1q1v   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q1v
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 836
_Distance_constraint_stats_list.Viol_count 362
_Distance_constraint_stats_list.Viol_total 71.648
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0198
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.000 0.000 . 0 "[ . 1]"
1 2 GLU 0.118 0.033 1 0 "[ . 1]"
1 3 PRO 0.253 0.033 1 0 "[ . 1]"
1 4 LEU 0.000 0.000 . 0 "[ . 1]"
1 5 ILE 0.007 0.007 9 0 "[ . 1]"
1 6 LYS 0.015 0.008 10 0 "[ . 1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 8 LEU 0.029 0.011 1 0 "[ . 1]"
1 9 LYS 0.021 0.011 1 0 "[ . 1]"
1 10 LYS 0.058 0.044 10 0 "[ . 1]"
1 11 PRO 0.014 0.011 2 0 "[ . 1]"
1 12 PRO 0.161 0.041 9 0 "[ . 1]"
1 13 THR 0.043 0.020 8 0 "[ . 1]"
1 14 ASP 0.022 0.016 2 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 0.179 0.027 9 0 "[ . 1]"
1 17 LEU 0.226 0.036 8 0 "[ . 1]"
1 18 LYS 0.104 0.028 1 0 "[ . 1]"
1 19 GLU 0.037 0.013 5 0 "[ . 1]"
1 20 THR 0.291 0.041 8 0 "[ . 1]"
1 21 ILE 0.836 0.058 8 0 "[ . 1]"
1 22 LYS 0.173 0.038 8 0 "[ . 1]"
1 23 LYS 0.230 0.032 5 0 "[ . 1]"
1 24 LEU 0.436 0.045 4 0 "[ . 1]"
1 25 LEU 0.030 0.012 10 0 "[ . 1]"
1 26 ALA 0.074 0.021 4 0 "[ . 1]"
1 27 SER 0.114 0.031 8 0 "[ . 1]"
1 28 ALA 0.082 0.014 7 0 "[ . 1]"
1 29 ASN 0.123 0.029 6 0 "[ . 1]"
1 30 LEU 0.333 0.032 5 0 "[ . 1]"
1 31 GLU 0.000 0.000 . 0 "[ . 1]"
1 32 GLU 0.113 0.029 6 0 "[ . 1]"
1 33 VAL 0.167 0.056 1 0 "[ . 1]"
1 34 THR 0.118 0.056 1 0 "[ . 1]"
1 35 MET 0.000 0.000 . 0 "[ . 1]"
1 36 LYS 0.002 0.002 2 0 "[ . 1]"
1 37 GLN 0.009 0.006 10 0 "[ . 1]"
1 38 ILE 0.712 0.060 2 0 "[ . 1]"
1 39 CYS 0.011 0.011 8 0 "[ . 1]"
1 40 LYS 0.056 0.021 6 0 "[ . 1]"
1 41 LYS 0.114 0.034 9 0 "[ . 1]"
1 42 VAL 0.105 0.030 5 0 "[ . 1]"
1 43 TYR 0.381 0.035 8 0 "[ . 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 ASN 0.158 0.041 8 0 "[ . 1]"
1 46 TYR 0.383 0.041 9 0 "[ . 1]"
1 47 PRO 0.000 0.000 . 0 "[ . 1]"
1 48 THR 0.002 0.002 1 0 "[ . 1]"
1 49 TYR 0.035 0.021 9 0 "[ . 1]"
1 50 ASP 0.292 0.056 7 0 "[ . 1]"
1 51 LEU 1.256 0.100 7 0 "[ . 1]"
1 52 THR 0.046 0.017 2 0 "[ . 1]"
1 53 GLU 0.611 0.100 7 0 "[ . 1]"
1 54 ARG 0.058 0.020 1 0 "[ . 1]"
1 55 LYS 0.034 0.034 10 0 "[ . 1]"
1 56 ASP 0.037 0.034 10 0 "[ . 1]"
1 57 PHE 0.302 0.045 2 0 "[ . 1]"
1 58 ILE 0.117 0.021 2 0 "[ . 1]"
1 59 LYS 0.156 0.031 6 0 "[ . 1]"
1 60 THR 0.071 0.028 9 0 "[ . 1]"
1 61 THR 0.992 0.058 8 0 "[ . 1]"
1 62 VAL 0.508 0.060 2 0 "[ . 1]"
1 63 LYS 0.059 0.017 3 0 "[ . 1]"
1 64 GLU 0.400 0.056 8 0 "[ . 1]"
1 65 LEU 1.379 0.086 1 0 "[ . 1]"
1 66 ILE 0.693 0.086 1 0 "[ . 1]"
1 67 SER 0.158 0.033 5 0 "[ . 1]"
1 68 LEU 0.218 0.047 5 0 "[ . 1]"
1 69 GLU 0.021 0.011 5 0 "[ . 1]"
1 70 HIS 0.113 0.047 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 50 ASP H 1 51 LEU H 5.000 . 5.500 3.319 3.214 3.624 . 0 0 "[ . 1]" 1
2 1 51 LEU H 1 52 THR H 4.500 2.300 5.000 4.381 4.291 4.443 . 0 0 "[ . 1]" 1
3 1 1 ASP H1 1 1 ASP HA 5.000 . 5.500 2.432 2.251 2.619 . 0 0 "[ . 1]" 1
4 1 1 ASP HA 1 2 GLU H 4.000 . 4.500 3.162 2.184 3.592 . 0 0 "[ . 1]" 1
5 1 1 ASP HA 1 4 LEU H 4.000 . 4.500 3.579 3.071 4.107 . 0 0 "[ . 1]" 1
6 1 1 ASP H1 1 1 ASP QB 4.500 . 5.000 2.602 1.928 3.212 . 0 0 "[ . 1]" 1
7 1 2 GLU H 1 2 GLU QG 4.500 . 5.000 3.312 2.859 4.001 . 0 0 "[ . 1]" 1
8 1 3 PRO QB 1 4 LEU H 4.000 . 4.500 3.241 2.641 3.698 . 0 0 "[ . 1]" 1
9 1 4 LEU H 1 5 ILE H 4.000 . 4.500 3.300 2.340 4.493 . 0 0 "[ . 1]" 1
10 1 4 LEU HA 1 5 ILE H 4.000 . 4.500 2.817 2.217 3.598 . 0 0 "[ . 1]" 1
11 1 4 LEU H 1 4 LEU QB 3.500 . 4.000 2.529 1.933 2.944 . 0 0 "[ . 1]" 1
12 1 4 LEU QB 1 5 ILE H 4.000 . 4.500 3.627 2.196 4.065 . 0 0 "[ . 1]" 1
13 1 4 LEU H 1 4 LEU QD 4.000 . 4.500 3.640 3.362 3.938 . 0 0 "[ . 1]" 1
14 1 5 ILE H 1 5 ILE HB 4.000 . 4.500 2.766 2.288 3.617 . 0 0 "[ . 1]" 1
15 1 5 ILE MG 1 6 LYS H 4.000 . 4.500 3.079 1.859 3.879 . 0 0 "[ . 1]" 1
16 1 5 ILE H 1 5 ILE MG 4.000 . 4.500 2.954 1.852 4.042 . 0 0 "[ . 1]" 1
17 1 5 ILE QG 1 6 LYS H 5.500 . 6.000 3.460 2.134 4.920 . 0 0 "[ . 1]" 1
18 1 5 ILE H 1 5 ILE QG 4.000 . 4.500 3.328 2.473 3.960 . 0 0 "[ . 1]" 1
19 1 5 ILE H 1 5 ILE MD 4.000 . 4.500 3.907 2.288 4.326 . 0 0 "[ . 1]" 1
20 1 6 LYS H 1 6 LYS QG 4.000 . 4.500 3.561 2.076 4.235 . 0 0 "[ . 1]" 1
21 1 6 LYS H 1 6 LYS QD 5.000 . 5.500 4.343 3.647 5.113 . 0 0 "[ . 1]" 1
22 1 6 LYS H 1 6 LYS QE 5.500 . 6.000 5.029 3.214 6.008 0.008 10 0 "[ . 1]" 1
23 1 7 LYS H 1 7 LYS QB 3.500 . 4.000 2.497 1.999 3.243 . 0 0 "[ . 1]" 1
24 1 7 LYS QB 1 8 LEU H 4.000 . 4.500 3.388 2.173 3.944 . 0 0 "[ . 1]" 1
25 1 7 LYS H 1 7 LYS QG 4.000 . 4.500 3.339 1.865 4.055 . 0 0 "[ . 1]" 1
26 1 7 LYS QG 1 8 LEU H 4.000 . 4.500 3.425 2.211 4.426 . 0 0 "[ . 1]" 1
27 1 7 LYS H 1 7 LYS QD 5.500 . 6.000 4.418 3.298 4.943 . 0 0 "[ . 1]" 1
28 1 7 LYS H 1 7 LYS QE 5.500 . 6.000 5.032 3.900 5.770 . 0 0 "[ . 1]" 1
29 1 8 LEU H 1 9 LYS H 4.000 . 4.500 3.114 2.303 4.511 0.011 1 0 "[ . 1]" 1
30 1 8 LEU H 1 8 LEU QB 3.500 . 4.000 2.264 1.969 3.037 . 0 0 "[ . 1]" 1
31 1 8 LEU QB 1 9 LYS H 4.000 . 4.500 3.146 1.837 4.079 . 0 0 "[ . 1]" 1
32 1 8 LEU H 1 8 LEU HG 3.500 . 4.000 3.272 2.163 4.008 0.008 1 0 "[ . 1]" 1
33 1 8 LEU H 1 8 LEU QD 4.000 . 4.500 2.960 2.009 3.564 . 0 0 "[ . 1]" 1
34 1 8 LEU QD 1 9 LYS H 4.500 . 5.000 3.894 2.830 4.587 . 0 0 "[ . 1]" 1
35 1 9 LYS HA 1 10 LYS H 3.500 . 4.000 2.629 2.251 2.865 . 0 0 "[ . 1]" 1
36 1 8 LEU H 1 9 LYS QB 4.500 . 5.000 4.468 3.448 5.009 0.009 4 0 "[ . 1]" 1
37 1 9 LYS QB 1 10 LYS H 4.000 . 4.500 2.855 1.913 4.008 . 0 0 "[ . 1]" 1
38 1 9 LYS H 1 9 LYS QG 4.000 . 4.500 2.955 2.149 4.255 . 0 0 "[ . 1]" 1
39 1 9 LYS H 1 9 LYS QD 4.000 . 4.500 3.429 2.307 4.407 . 0 0 "[ . 1]" 1
40 1 9 LYS H 1 9 LYS QE 5.500 . 6.000 4.858 3.932 5.612 . 0 0 "[ . 1]" 1
41 1 10 LYS H 1 10 LYS QB 3.500 . 4.000 2.707 2.392 3.196 . 0 0 "[ . 1]" 1
42 1 10 LYS H 1 10 LYS QG 4.000 . 4.500 3.309 2.011 4.236 . 0 0 "[ . 1]" 1
43 1 10 LYS H 1 10 LYS QD 3.500 . 4.000 3.766 3.275 4.044 0.044 10 0 "[ . 1]" 1
44 1 10 LYS H 1 11 PRO QD 4.000 . 4.500 3.860 2.184 4.375 . 0 0 "[ . 1]" 1
45 1 12 PRO QB 1 17 LEU H 4.000 . 4.500 3.233 2.856 3.632 . 0 0 "[ . 1]" 1
46 1 12 PRO QB 1 13 THR H 4.000 . 4.500 3.285 2.569 3.658 . 0 0 "[ . 1]" 1
47 1 14 ASP H 1 15 GLU H 4.000 . 4.500 2.879 2.778 2.927 . 0 0 "[ . 1]" 1
48 1 14 ASP HA 1 16 GLU H 5.000 . 5.500 4.316 4.065 4.616 . 0 0 "[ . 1]" 1
49 1 14 ASP HA 1 17 LEU H 4.000 . 4.500 3.422 3.048 3.598 . 0 0 "[ . 1]" 1
50 1 14 ASP HA 1 15 GLU H 4.000 . 4.500 3.553 3.539 3.566 . 0 0 "[ . 1]" 1
51 1 15 GLU H 1 15 GLU QB 3.500 . 4.000 2.064 1.926 2.255 . 0 0 "[ . 1]" 1
52 1 16 GLU H 1 17 LEU H 4.000 . 4.500 2.645 2.449 2.791 . 0 0 "[ . 1]" 1
53 1 15 GLU H 1 16 GLU H 4.000 . 4.500 2.768 2.661 2.891 . 0 0 "[ . 1]" 1
54 1 13 THR H 1 16 GLU H 4.000 . 4.500 3.909 3.135 4.266 . 0 0 "[ . 1]" 1
55 1 16 GLU H 1 16 GLU QB 3.500 . 4.000 2.058 1.930 2.212 . 0 0 "[ . 1]" 1
56 1 16 GLU QB 1 17 LEU H 4.000 . 4.500 2.520 2.367 2.781 . 0 0 "[ . 1]" 1
57 1 16 GLU H 1 16 GLU QG 3.500 . 4.000 3.020 2.339 3.954 . 0 0 "[ . 1]" 1
58 1 13 THR H 1 16 GLU QG 4.000 . 4.500 3.605 2.598 4.519 0.019 2 0 "[ . 1]" 1
59 1 17 LEU H 1 18 LYS H 4.000 . 4.500 2.940 2.850 3.092 . 0 0 "[ . 1]" 1
60 1 13 THR H 1 17 LEU H 5.000 . 5.500 4.975 4.007 5.451 . 0 0 "[ . 1]" 1
61 1 17 LEU HA 1 18 LYS H 4.000 . 4.500 3.589 3.583 3.593 . 0 0 "[ . 1]" 1
62 1 17 LEU HA 1 20 THR H 5.000 . 5.500 3.737 3.619 3.890 . 0 0 "[ . 1]" 1
63 1 17 LEU H 1 17 LEU QB 3.500 . 4.000 2.101 1.956 2.244 . 0 0 "[ . 1]" 1
64 1 17 LEU QB 1 18 LYS H 4.000 . 4.500 2.287 2.141 2.496 . 0 0 "[ . 1]" 1
65 1 16 GLU H 1 17 LEU HG 5.000 . 5.500 5.029 4.519 5.524 0.024 10 0 "[ . 1]" 1
66 1 17 LEU H 1 17 LEU HG 4.000 . 4.500 2.736 2.215 3.554 . 0 0 "[ . 1]" 1
67 1 17 LEU HG 1 18 LYS H 4.500 . 5.000 4.564 4.352 4.787 . 0 0 "[ . 1]" 1
68 1 17 LEU H 1 17 LEU QD 4.000 . 4.500 3.113 1.840 3.472 . 0 0 "[ . 1]" 1
69 1 17 LEU QD 1 18 LYS H 4.000 . 4.500 3.811 3.681 3.923 . 0 0 "[ . 1]" 1
70 1 17 LEU QD 1 21 ILE H 4.500 . 5.000 4.690 4.294 4.882 . 0 0 "[ . 1]" 1
71 1 17 LEU QD 1 54 ARG HE 5.000 . 5.500 4.582 3.483 5.304 . 0 0 "[ . 1]" 1
72 1 17 LEU QD 1 20 THR H 5.000 . 5.500 4.715 4.523 4.846 . 0 0 "[ . 1]" 1
73 1 17 LEU QD 1 19 GLU H 5.000 2.300 5.500 5.302 4.863 5.462 . 0 0 "[ . 1]" 1
74 1 16 GLU H 1 18 LYS H 5.000 . 5.500 4.484 4.115 4.813 . 0 0 "[ . 1]" 1
75 1 18 LYS H 1 19 GLU H 4.000 . 4.500 2.931 2.833 3.034 . 0 0 "[ . 1]" 1
76 1 18 LYS HA 1 21 ILE H 4.000 . 4.500 3.612 3.290 3.746 . 0 0 "[ . 1]" 1
77 1 18 LYS HA 1 19 GLU H 4.000 . 4.500 3.584 3.580 3.592 . 0 0 "[ . 1]" 1
78 1 18 LYS H 1 18 LYS QB 3.500 . 4.000 2.100 1.948 2.187 . 0 0 "[ . 1]" 1
79 1 18 LYS QB 1 19 GLU H 3.500 . 4.000 2.320 2.240 2.418 . 0 0 "[ . 1]" 1
80 1 18 LYS H 1 18 LYS QG 4.000 . 4.500 3.844 3.495 3.992 . 0 0 "[ . 1]" 1
81 1 18 LYS H 1 18 LYS QD 4.500 . 5.000 4.309 3.831 4.569 . 0 0 "[ . 1]" 1
82 1 19 GLU QB 1 22 LYS H 5.000 . 5.500 5.057 4.840 5.390 . 0 0 "[ . 1]" 1
83 1 19 GLU QB 1 20 THR H 4.000 . 4.500 2.255 2.023 2.579 . 0 0 "[ . 1]" 1
84 1 19 GLU H 1 19 GLU QB 3.500 . 4.000 2.060 1.930 2.176 . 0 0 "[ . 1]" 1
85 1 20 THR HB 1 21 ILE H 4.000 . 4.500 2.367 2.276 2.477 . 0 0 "[ . 1]" 1
86 1 20 THR H 1 20 THR HB 4.000 . 4.500 2.367 2.212 2.506 . 0 0 "[ . 1]" 1
87 1 20 THR H 1 21 ILE H 4.000 . 4.500 2.968 2.691 3.082 . 0 0 "[ . 1]" 1
88 1 19 GLU H 1 21 ILE H 4.000 . 4.500 4.464 4.373 4.513 0.013 5 0 "[ . 1]" 1
89 1 21 ILE HA 1 23 LYS H 5.000 . 5.500 3.811 3.686 3.949 . 0 0 "[ . 1]" 1
90 1 21 ILE HA 1 24 LEU H 4.000 . 4.500 3.081 2.904 3.783 . 0 0 "[ . 1]" 1
91 1 21 ILE HA 1 22 LYS H 4.500 . 5.000 3.588 3.581 3.594 . 0 0 "[ . 1]" 1
92 1 21 ILE HA 1 25 LEU H 4.500 . 5.000 4.079 3.612 4.407 . 0 0 "[ . 1]" 1
93 1 21 ILE H 1 21 ILE HB 3.500 . 4.000 2.444 2.344 2.535 . 0 0 "[ . 1]" 1
94 1 21 ILE H 1 21 ILE QG 3.500 . 4.000 2.052 1.860 2.291 . 0 0 "[ . 1]" 1
95 1 21 ILE QG 1 22 LYS H 4.000 . 4.500 4.022 3.923 4.153 . 0 0 "[ . 1]" 1
96 1 21 ILE H 1 21 ILE MD 3.500 . 4.000 2.662 2.424 2.881 . 0 0 "[ . 1]" 1
97 1 22 LYS QB 1 23 LYS H 3.500 . 4.000 2.871 2.643 3.541 . 0 0 "[ . 1]" 1
98 1 22 LYS H 1 22 LYS QB 3.500 . 4.000 2.204 2.132 2.499 . 0 0 "[ . 1]" 1
99 1 22 LYS H 1 22 LYS QG 4.000 . 4.500 3.789 1.943 4.030 . 0 0 "[ . 1]" 1
100 1 22 LYS QD 1 24 LEU H 4.500 . 5.000 4.907 4.717 5.023 0.023 9 0 "[ . 1]" 1
101 1 22 LYS H 1 22 LYS QD 3.500 . 4.000 3.958 3.780 4.036 0.036 3 0 "[ . 1]" 1
102 1 23 LYS H 1 24 LEU H 4.000 . 4.500 2.453 2.336 2.893 . 0 0 "[ . 1]" 1
103 1 22 LYS H 1 23 LYS H 4.000 . 4.500 2.833 2.765 2.866 . 0 0 "[ . 1]" 1
104 1 23 LYS H 1 23 LYS QB 3.500 . 4.000 2.141 1.949 2.477 . 0 0 "[ . 1]" 1
105 1 24 LEU H 1 25 LEU H 4.000 . 4.500 2.857 2.475 3.161 . 0 0 "[ . 1]" 1
106 1 24 LEU HA 1 26 ALA H 4.000 . 4.500 4.465 4.333 4.521 0.021 4 0 "[ . 1]" 1
107 1 24 LEU HA 1 25 LEU H 4.000 . 4.500 3.581 3.561 3.591 . 0 0 "[ . 1]" 1
108 1 24 LEU HA 1 27 SER H 4.000 . 4.500 3.817 3.594 3.951 . 0 0 "[ . 1]" 1
109 1 24 LEU H 1 24 LEU QB 3.500 . 4.000 2.374 2.064 2.461 . 0 0 "[ . 1]" 1
110 1 24 LEU QB 1 26 ALA H 4.500 . 5.000 4.397 4.165 5.012 0.012 2 0 "[ . 1]" 1
111 1 24 LEU QB 1 25 LEU H 3.500 . 4.000 2.193 1.865 3.254 . 0 0 "[ . 1]" 1
112 1 24 LEU QB 1 27 SER H 5.500 . 6.000 4.763 4.654 4.870 . 0 0 "[ . 1]" 1
113 1 25 LEU QB 1 26 ALA H 4.000 . 4.500 3.030 2.524 3.374 . 0 0 "[ . 1]" 1
114 1 25 LEU H 1 25 LEU QB 3.500 . 4.000 2.421 2.143 2.606 . 0 0 "[ . 1]" 1
115 1 25 LEU HG 1 26 ALA H 4.000 . 4.500 2.716 1.843 4.207 . 0 0 "[ . 1]" 1
116 1 25 LEU HG 1 27 SER H 5.000 . 5.500 4.679 4.192 5.399 . 0 0 "[ . 1]" 1
117 1 25 LEU QD 1 26 ALA H 4.000 . 4.500 2.920 1.993 3.970 . 0 0 "[ . 1]" 1
118 1 25 LEU H 1 25 LEU QD 3.500 . 4.000 2.709 1.944 3.646 . 0 0 "[ . 1]" 1
119 1 25 LEU H 1 26 ALA H 4.000 . 4.500 2.749 2.598 2.821 . 0 0 "[ . 1]" 1
120 1 26 ALA H 1 27 SER H 4.000 . 4.500 2.714 2.642 2.787 . 0 0 "[ . 1]" 1
121 1 26 ALA HA 1 28 ALA H 4.500 . 5.000 3.982 3.428 4.439 . 0 0 "[ . 1]" 1
122 1 26 ALA HA 1 27 SER H 4.000 . 4.500 3.434 3.370 3.523 . 0 0 "[ . 1]" 1
123 1 26 ALA MB 1 27 SER H 4.000 . 4.500 2.990 2.702 3.164 . 0 0 "[ . 1]" 1
124 1 27 SER QB 1 28 ALA H 4.000 . 4.500 3.761 3.134 4.077 . 0 0 "[ . 1]" 1
125 1 27 SER H 1 27 SER QB 3.500 . 4.000 2.614 2.189 2.953 . 0 0 "[ . 1]" 1
126 1 28 ALA H 1 29 ASN H 4.000 . 4.500 4.400 4.291 4.489 . 0 0 "[ . 1]" 1
127 1 28 ALA HA 1 29 ASN H 3.500 . 4.000 2.533 2.330 2.842 . 0 0 "[ . 1]" 1
128 1 28 ALA MB 1 30 LEU H 4.500 . 5.000 4.811 4.635 5.008 0.008 7 0 "[ . 1]" 1
129 1 28 ALA MB 1 33 VAL H 5.000 . 5.500 5.173 4.741 5.504 0.004 3 0 "[ . 1]" 1
130 1 28 ALA MB 1 29 ASN H 4.000 . 4.500 2.472 2.069 2.807 . 0 0 "[ . 1]" 1
131 1 27 SER H 1 28 ALA MB 4.000 . 4.500 3.572 3.317 4.006 . 0 0 "[ . 1]" 1
132 1 29 ASN QB 1 30 LEU H 4.000 . 4.500 3.563 3.387 3.752 . 0 0 "[ . 1]" 1
133 1 29 ASN H 1 29 ASN QB 3.500 . 4.000 2.074 1.943 2.243 . 0 0 "[ . 1]" 1
134 1 29 ASN QB 1 32 GLU H 4.500 . 5.000 2.570 2.413 2.762 . 0 0 "[ . 1]" 1
135 1 29 ASN H 1 30 LEU H 5.000 . 5.500 4.453 4.280 4.574 . 0 0 "[ . 1]" 1
136 1 30 LEU H 1 32 GLU H 5.000 . 5.500 3.959 3.814 4.054 . 0 0 "[ . 1]" 1
137 1 30 LEU H 1 31 GLU H 4.000 . 4.500 2.967 2.793 3.044 . 0 0 "[ . 1]" 1
138 1 30 LEU HA 1 33 VAL H 4.000 . 4.500 3.756 3.340 4.210 . 0 0 "[ . 1]" 1
139 1 30 LEU HA 1 32 GLU H 4.000 . 4.500 3.763 3.698 3.880 . 0 0 "[ . 1]" 1
140 1 30 LEU HA 1 31 GLU H 4.000 . 4.500 3.587 3.583 3.590 . 0 0 "[ . 1]" 1
141 1 30 LEU H 1 30 LEU QB 3.500 . 4.000 2.391 2.097 2.627 . 0 0 "[ . 1]" 1
142 1 30 LEU QB 1 33 VAL H 5.500 . 6.000 4.877 4.606 5.218 . 0 0 "[ . 1]" 1
143 1 30 LEU QB 1 32 GLU H 5.000 . 5.500 4.219 4.177 4.270 . 0 0 "[ . 1]" 1
144 1 30 LEU QB 1 31 GLU H 4.000 . 4.500 2.333 2.233 2.434 . 0 0 "[ . 1]" 1
145 1 30 LEU H 1 30 LEU HG 4.000 . 4.500 2.616 1.843 3.875 . 0 0 "[ . 1]" 1
146 1 30 LEU HG 1 32 GLU H 5.500 . 6.000 5.740 5.501 6.005 0.005 5 0 "[ . 1]" 1
147 1 30 LEU HG 1 31 GLU H 5.500 . 6.000 4.359 3.881 4.966 . 0 0 "[ . 1]" 1
148 1 28 ALA H 1 30 LEU QD 4.000 . 4.500 4.166 3.914 4.433 . 0 0 "[ . 1]" 1
149 1 30 LEU H 1 30 LEU QD 4.000 . 4.500 2.129 1.786 2.571 0.014 2 0 "[ . 1]" 1
150 1 29 ASN H 1 30 LEU QD 5.500 2.300 6.000 4.731 4.361 4.994 . 0 0 "[ . 1]" 1
151 1 27 SER H 1 30 LEU QD 4.500 . 5.000 5.002 4.938 5.031 0.031 8 0 "[ . 1]" 1
152 1 31 GLU QB 1 32 GLU H 4.000 . 4.500 3.218 2.894 3.758 . 0 0 "[ . 1]" 1
153 1 31 GLU H 1 31 GLU QB 3.500 . 4.000 2.100 1.933 2.480 . 0 0 "[ . 1]" 1
154 1 32 GLU QB 1 33 VAL H 4.000 . 4.500 3.540 3.139 3.797 . 0 0 "[ . 1]" 1
155 1 29 ASN QD 1 32 GLU QB 4.000 . 4.500 3.798 3.236 4.331 . 0 0 "[ . 1]" 1
156 1 32 GLU H 1 32 GLU QB 3.500 . 4.000 2.334 2.161 2.432 . 0 0 "[ . 1]" 1
157 1 33 VAL H 1 33 VAL HB 3.500 . 4.000 2.639 2.293 3.640 . 0 0 "[ . 1]" 1
158 1 33 VAL HB 1 34 THR H 4.000 . 4.500 4.186 3.484 4.457 . 0 0 "[ . 1]" 1
159 1 5 ILE HA 1 6 LYS H 3.500 . 4.000 2.704 2.239 3.591 . 0 0 "[ . 1]" 1
160 1 34 THR MG 1 35 MET H 4.500 . 5.000 3.581 3.290 3.978 . 0 0 "[ . 1]" 1
161 1 34 THR MG 1 36 LYS H 5.000 . 5.500 3.093 1.919 4.327 . 0 0 "[ . 1]" 1
162 1 33 VAL H 1 34 THR MG 5.000 . 5.500 4.892 3.932 5.511 0.011 8 0 "[ . 1]" 1
163 1 34 THR MG 1 37 GLN H 5.000 . 5.500 3.045 1.874 4.919 . 0 0 "[ . 1]" 1
164 1 34 THR H 1 34 THR MG 3.500 . 4.000 2.292 1.833 3.086 . 0 0 "[ . 1]" 1
165 1 34 THR MG 1 37 GLN QE 4.500 . 5.000 3.857 2.591 4.750 . 0 0 "[ . 1]" 1
166 1 35 MET H 1 36 LYS H 5.000 . 5.500 2.802 2.622 3.028 . 0 0 "[ . 1]" 1
167 1 34 THR H 1 35 MET H 5.500 . 6.000 4.507 4.430 4.618 . 0 0 "[ . 1]" 1
168 1 35 MET HA 1 38 ILE H 4.000 . 4.500 3.453 3.297 3.756 . 0 0 "[ . 1]" 1
169 1 35 MET QB 1 36 LYS H 4.000 . 4.500 3.144 2.389 3.524 . 0 0 "[ . 1]" 1
170 1 36 LYS H 1 38 ILE H 5.000 . 5.500 4.180 3.908 4.800 . 0 0 "[ . 1]" 1
171 1 36 LYS H 1 37 GLN H 4.000 . 4.500 2.856 2.617 3.131 . 0 0 "[ . 1]" 1
172 1 36 LYS HA 1 39 CYS H 4.000 . 4.500 3.883 3.658 4.240 . 0 0 "[ . 1]" 1
173 1 36 LYS H 1 36 LYS QB 3.500 . 4.000 2.101 1.965 2.443 . 0 0 "[ . 1]" 1
174 1 36 LYS QB 1 37 GLN H 4.000 . 4.500 2.315 2.078 2.627 . 0 0 "[ . 1]" 1
175 1 36 LYS H 1 36 LYS QG 4.000 . 4.500 3.548 1.866 4.000 . 0 0 "[ . 1]" 1
176 1 36 LYS H 1 36 LYS QD 4.000 . 4.500 3.889 3.127 4.465 . 0 0 "[ . 1]" 1
177 1 37 GLN QB 1 38 ILE H 4.000 . 4.500 2.558 1.985 2.829 . 0 0 "[ . 1]" 1
178 1 37 GLN H 1 37 GLN QB 3.500 . 4.000 2.072 1.921 2.340 . 0 0 "[ . 1]" 1
179 1 42 VAL H 1 43 TYR H 4.000 . 4.500 3.043 2.888 3.221 . 0 0 "[ . 1]" 1
180 1 41 LYS H 1 42 VAL H 4.000 . 4.500 2.906 2.862 2.988 . 0 0 "[ . 1]" 1
181 1 42 VAL HA 1 45 ASN H 4.000 . 4.500 3.601 3.404 3.719 . 0 0 "[ . 1]" 1
182 1 41 LYS H 1 42 VAL HA 5.000 . 5.500 5.490 5.442 5.530 0.030 5 0 "[ . 1]" 1
183 1 37 GLN H 1 38 ILE H 4.000 . 4.500 2.669 2.485 2.917 . 0 0 "[ . 1]" 1
184 1 38 ILE H 1 39 CYS H 4.000 . 4.500 2.744 2.544 2.936 . 0 0 "[ . 1]" 1
185 1 38 ILE H 1 40 LYS H 5.000 . 5.500 4.187 3.768 5.042 . 0 0 "[ . 1]" 1
186 1 38 ILE HA 1 42 VAL H 5.500 . 6.000 3.469 3.275 3.635 . 0 0 "[ . 1]" 1
187 1 37 GLN H 1 38 ILE HA 5.500 . 6.000 5.329 5.175 5.482 . 0 0 "[ . 1]" 1
188 1 38 ILE HA 1 41 LYS H 4.000 . 4.500 3.963 3.706 4.215 . 0 0 "[ . 1]" 1
189 1 38 ILE HA 1 39 CYS H 4.500 . 5.000 3.562 3.532 3.592 . 0 0 "[ . 1]" 1
190 1 38 ILE H 1 38 ILE HB 3.500 . 4.000 2.355 2.267 2.450 . 0 0 "[ . 1]" 1
191 1 38 ILE HB 1 39 CYS H 4.000 . 4.500 2.477 1.947 2.768 . 0 0 "[ . 1]" 1
192 1 16 GLU HA 1 17 LEU H 4.000 . 4.500 3.570 3.503 3.593 . 0 0 "[ . 1]" 1
193 1 16 GLU HA 1 19 GLU H 4.000 . 4.500 3.738 3.616 3.955 . 0 0 "[ . 1]" 1
194 1 38 ILE H 1 39 CYS QB 5.000 . 5.500 4.370 4.189 4.618 . 0 0 "[ . 1]" 1
195 1 39 CYS H 1 39 CYS QB 3.500 . 4.000 2.133 2.002 2.387 . 0 0 "[ . 1]" 1
196 1 39 CYS QB 1 40 LYS H 5.000 . 5.500 2.559 2.123 2.834 . 0 0 "[ . 1]" 1
197 1 39 CYS H 1 40 LYS QB 5.000 . 5.500 4.374 4.023 4.595 . 0 0 "[ . 1]" 1
198 1 40 LYS H 1 40 LYS QD 5.000 . 5.500 3.722 2.277 4.593 . 0 0 "[ . 1]" 1
199 1 41 LYS QB 1 42 VAL H 4.000 . 4.500 2.261 1.995 2.419 . 0 0 "[ . 1]" 1
200 1 41 LYS H 1 41 LYS QB 3.500 . 4.000 2.192 1.972 2.381 . 0 0 "[ . 1]" 1
201 1 42 VAL H 1 42 VAL HB 4.000 . 4.500 2.348 2.147 2.497 . 0 0 "[ . 1]" 1
202 1 42 VAL HB 1 43 TYR H 4.000 . 4.500 2.559 1.967 3.682 . 0 0 "[ . 1]" 1
203 1 41 LYS H 1 42 VAL HB 5.000 . 5.500 4.724 4.576 4.908 . 0 0 "[ . 1]" 1
204 1 42 VAL H 1 42 VAL QG 3.500 . 4.000 2.178 1.842 2.506 . 0 0 "[ . 1]" 1
205 1 42 VAL QG 1 43 TYR H 4.000 . 4.500 2.591 1.779 3.068 0.021 9 0 "[ . 1]" 1
206 1 42 VAL QG 1 44 GLU H 5.000 . 5.500 4.338 3.940 4.551 . 0 0 "[ . 1]" 1
207 1 42 VAL QG 1 45 ASN H 4.000 . 4.500 4.227 4.082 4.296 . 0 0 "[ . 1]" 1
208 1 41 LYS H 1 42 VAL QG 4.000 . 4.500 4.215 3.710 4.415 . 0 0 "[ . 1]" 1
209 1 42 VAL QG 1 46 TYR H 5.000 . 5.500 4.046 3.862 4.157 . 0 0 "[ . 1]" 1
210 1 44 GLU H 1 44 GLU QB 3.500 . 4.000 2.015 1.953 2.122 . 0 0 "[ . 1]" 1
211 1 44 GLU QB 1 45 ASN H 4.000 . 4.500 2.480 2.361 2.608 . 0 0 "[ . 1]" 1
212 1 44 GLU QB 1 46 TYR H 5.500 . 6.000 4.312 4.241 4.374 . 0 0 "[ . 1]" 1
213 1 20 THR H 1 45 ASN QB 5.000 . 5.500 5.493 5.433 5.541 0.041 8 0 "[ . 1]" 1
214 1 45 ASN H 1 45 ASN QB 3.500 . 4.000 2.126 1.970 2.542 . 0 0 "[ . 1]" 1
215 1 45 ASN QB 1 46 TYR H 4.000 . 4.500 3.072 2.953 3.189 . 0 0 "[ . 1]" 1
216 1 46 TYR QB 1 49 TYR H 4.500 . 5.000 4.124 3.878 4.676 . 0 0 "[ . 1]" 1
217 1 47 PRO QB 1 49 TYR H 5.000 . 5.500 4.553 4.421 4.859 . 0 0 "[ . 1]" 1
218 1 47 PRO QB 1 48 THR H 4.000 . 4.500 2.792 2.537 3.398 . 0 0 "[ . 1]" 1
219 1 48 THR HB 1 49 TYR H 4.000 . 4.500 3.907 3.068 4.502 0.002 1 0 "[ . 1]" 1
220 1 48 THR H 1 48 THR HB 4.000 . 4.500 3.202 2.322 3.550 . 0 0 "[ . 1]" 1
221 1 49 TYR H 1 50 ASP H 5.000 . 5.500 4.530 4.282 4.658 . 0 0 "[ . 1]" 1
222 1 48 THR H 1 49 TYR H 4.000 . 4.500 2.932 2.700 3.507 . 0 0 "[ . 1]" 1
223 1 49 TYR HA 1 50 ASP H 3.500 . 4.000 2.283 2.210 2.320 . 0 0 "[ . 1]" 1
224 1 49 TYR H 1 49 TYR QB 3.500 . 4.000 2.455 2.278 2.660 . 0 0 "[ . 1]" 1
225 1 49 TYR QB 1 50 ASP H 4.000 . 4.500 2.978 2.854 3.306 . 0 0 "[ . 1]" 1
226 1 49 TYR H 1 49 TYR QD 4.000 . 4.500 3.331 2.915 3.917 . 0 0 "[ . 1]" 1
227 1 49 TYR QD 1 50 ASP H 4.500 . 5.000 3.744 3.257 4.171 . 0 0 "[ . 1]" 1
228 1 48 THR H 1 49 TYR QD 5.000 . 5.500 4.446 3.724 4.966 . 0 0 "[ . 1]" 1
229 1 50 ASP HA 1 51 LEU H 3.000 . 3.500 2.745 2.642 2.847 . 0 0 "[ . 1]" 1
230 1 50 ASP QB 1 51 LEU H 5.000 . 5.500 3.900 3.869 3.950 . 0 0 "[ . 1]" 1
231 1 50 ASP H 1 50 ASP QB 3.500 . 4.000 2.178 2.033 2.394 . 0 0 "[ . 1]" 1
232 1 50 ASP QB 1 52 THR H 5.000 . 5.500 4.659 4.330 4.978 . 0 0 "[ . 1]" 1
233 1 51 LEU HA 1 52 THR H 4.000 . 4.500 2.237 2.210 2.279 . 0 0 "[ . 1]" 1
234 1 51 LEU HA 1 54 ARG H 4.500 . 5.000 4.310 3.965 4.493 . 0 0 "[ . 1]" 1
235 1 51 LEU H 1 51 LEU QB 2.500 . 3.000 1.975 1.917 2.020 . 0 0 "[ . 1]" 1
236 1 49 TYR H 1 51 LEU QB 5.000 . 5.500 5.320 4.962 5.510 0.010 10 0 "[ . 1]" 1
237 1 50 ASP H 1 51 LEU QB 4.500 . 5.000 5.022 4.923 5.056 0.056 7 0 "[ . 1]" 1
238 1 51 LEU QB 1 53 GLU H 5.000 2.300 5.500 5.557 5.516 5.600 0.100 7 0 "[ . 1]" 1
239 1 51 LEU QB 1 52 THR H 4.000 . 4.500 3.782 3.715 3.843 . 0 0 "[ . 1]" 1
240 1 51 LEU H 1 51 LEU HG 4.000 . 4.500 4.129 3.989 4.266 . 0 0 "[ . 1]" 1
241 1 51 LEU HG 1 55 LYS H 5.000 . 5.500 4.593 4.173 4.778 . 0 0 "[ . 1]" 1
242 1 51 LEU HG 1 52 THR H 5.500 . 6.000 5.340 5.180 5.515 . 0 0 "[ . 1]" 1
243 1 51 LEU HG 1 54 ARG H 5.500 2.300 6.000 5.913 5.618 6.020 0.020 1 0 "[ . 1]" 1
244 1 49 TYR H 1 51 LEU QD 5.000 . 5.500 4.449 4.125 4.759 . 0 0 "[ . 1]" 1
245 1 50 ASP H 1 51 LEU QD 5.500 . 6.000 3.942 3.650 4.225 . 0 0 "[ . 1]" 1
246 1 51 LEU QD 1 54 ARG HE 5.000 . 5.500 4.494 3.070 4.972 . 0 0 "[ . 1]" 1
247 1 51 LEU QD 1 55 LYS H 5.500 . 6.000 2.135 1.839 2.355 . 0 0 "[ . 1]" 1
248 1 51 LEU QD 1 52 THR H 5.500 . 6.000 2.749 2.545 2.989 . 0 0 "[ . 1]" 1
249 1 51 LEU QD 1 54 ARG H 5.000 . 5.500 2.917 2.733 3.011 . 0 0 "[ . 1]" 1
250 1 52 THR HB 1 53 GLU H 4.000 . 4.500 2.329 2.227 2.418 . 0 0 "[ . 1]" 1
251 1 52 THR H 1 52 THR HB 4.000 . 4.500 3.250 3.087 3.310 . 0 0 "[ . 1]" 1
252 1 53 GLU H 1 54 ARG HE 5.500 . 6.000 5.508 4.883 5.994 . 0 0 "[ . 1]" 1
253 1 53 GLU H 1 55 LYS H 4.500 . 5.000 3.578 3.502 3.695 . 0 0 "[ . 1]" 1
254 1 52 THR H 1 53 GLU H 4.000 . 4.500 2.378 2.289 2.424 . 0 0 "[ . 1]" 1
255 1 53 GLU H 1 54 ARG H 4.000 . 4.500 2.697 2.518 2.873 . 0 0 "[ . 1]" 1
256 1 53 GLU HA 1 55 LYS H 4.500 . 5.000 3.977 3.804 4.209 . 0 0 "[ . 1]" 1
257 1 53 GLU HA 1 56 ASP H 5.500 . 6.000 3.674 3.492 3.913 . 0 0 "[ . 1]" 1
258 1 53 GLU HA 1 54 ARG H 4.000 . 4.500 3.587 3.571 3.593 . 0 0 "[ . 1]" 1
259 1 53 GLU QB 1 54 ARG H 4.500 . 5.000 2.214 2.069 2.420 . 0 0 "[ . 1]" 1
260 1 53 GLU H 1 53 GLU QG 4.000 . 4.500 2.597 2.039 3.874 . 0 0 "[ . 1]" 1
261 1 53 GLU QG 1 54 ARG H 4.000 . 4.500 3.982 3.637 4.253 . 0 0 "[ . 1]" 1
262 1 54 ARG QB 1 54 ARG HE 4.000 . 4.500 3.340 2.318 3.814 . 0 0 "[ . 1]" 1
263 1 54 ARG QB 1 55 LYS H 5.000 . 5.500 2.909 2.835 3.003 . 0 0 "[ . 1]" 1
264 1 54 ARG H 1 54 ARG QB 3.500 . 4.000 2.027 1.954 2.129 . 0 0 "[ . 1]" 1
265 1 55 LYS H 1 56 ASP H 4.000 . 4.500 2.823 2.753 2.956 . 0 0 "[ . 1]" 1
266 1 54 ARG H 1 55 LYS H 3.500 . 4.000 2.635 2.551 2.721 . 0 0 "[ . 1]" 1
267 1 55 LYS HA 1 56 ASP H 4.500 . 5.000 3.591 3.586 3.595 . 0 0 "[ . 1]" 1
268 1 55 LYS HA 1 57 PHE H 4.500 . 5.000 4.046 3.869 4.228 . 0 0 "[ . 1]" 1
269 1 55 LYS HA 1 58 ILE H 4.000 . 4.500 3.280 3.169 3.396 . 0 0 "[ . 1]" 1
270 1 54 ARG H 1 55 LYS HA 5.000 2.300 5.500 5.269 5.207 5.346 . 0 0 "[ . 1]" 1
271 1 55 LYS H 1 55 LYS QB 3.500 . 4.000 2.147 2.058 2.171 . 0 0 "[ . 1]" 1
272 1 55 LYS QB 1 56 ASP H 4.000 . 4.500 2.177 2.017 2.264 . 0 0 "[ . 1]" 1
273 1 55 LYS QB 1 57 PHE H 5.500 . 6.000 4.284 4.101 4.371 . 0 0 "[ . 1]" 1
274 1 55 LYS H 1 55 LYS QG 3.500 . 4.000 3.922 3.779 3.977 . 0 0 "[ . 1]" 1
275 1 55 LYS QG 1 56 ASP H 4.000 . 4.500 3.562 3.114 4.122 . 0 0 "[ . 1]" 1
276 1 56 ASP H 1 57 PHE H 4.000 . 4.500 2.712 2.626 2.779 . 0 0 "[ . 1]" 1
277 1 55 LYS H 1 56 ASP HA 5.000 2.300 5.500 5.434 5.373 5.534 0.034 10 0 "[ . 1]" 1
278 1 56 ASP HA 1 57 PHE H 4.000 . 4.500 3.517 3.490 3.538 . 0 0 "[ . 1]" 1
279 1 56 ASP HA 1 59 LYS H 5.000 . 5.500 3.954 3.624 4.277 . 0 0 "[ . 1]" 1
280 1 56 ASP HA 1 60 THR H 5.000 . 5.500 4.220 4.084 4.425 . 0 0 "[ . 1]" 1
281 1 56 ASP H 1 56 ASP QB 3.500 . 4.000 2.197 1.954 2.530 . 0 0 "[ . 1]" 1
282 1 56 ASP QB 1 57 PHE H 4.000 . 4.500 2.728 2.611 2.821 . 0 0 "[ . 1]" 1
283 1 56 ASP QB 1 58 ILE H 5.500 . 6.000 4.799 4.568 4.995 . 0 0 "[ . 1]" 1
284 1 57 PHE H 1 58 ILE H 4.000 . 4.500 2.626 2.514 2.723 . 0 0 "[ . 1]" 1
285 1 56 ASP H 1 57 PHE HA 5.500 . 6.000 5.374 5.303 5.434 . 0 0 "[ . 1]" 1
286 1 57 PHE HA 1 58 ILE H 4.500 . 5.000 3.565 3.528 3.592 . 0 0 "[ . 1]" 1
287 1 57 PHE HA 1 61 THR H 4.500 . 5.000 4.293 4.139 4.512 . 0 0 "[ . 1]" 1
288 1 57 PHE HA 1 60 THR H 4.500 . 5.000 3.692 3.536 3.916 . 0 0 "[ . 1]" 1
289 1 57 PHE H 1 57 PHE QB 3.500 . 4.000 1.996 1.976 2.036 . 0 0 "[ . 1]" 1
290 1 57 PHE QB 1 58 ILE H 4.000 . 4.500 2.703 2.529 2.902 . 0 0 "[ . 1]" 1
291 1 54 ARG HE 1 57 PHE QD 5.500 . 6.000 5.367 4.137 6.003 0.003 6 0 "[ . 1]" 1
292 1 57 PHE H 1 57 PHE QD 4.000 . 4.500 3.856 3.789 3.968 . 0 0 "[ . 1]" 1
293 1 57 PHE QD 1 58 ILE H 4.000 . 4.500 2.994 2.600 3.452 . 0 0 "[ . 1]" 1
294 1 17 LEU H 1 57 PHE QE 4.500 . 5.000 4.655 4.261 4.924 . 0 0 "[ . 1]" 1
295 1 18 LYS H 1 57 PHE QE 4.500 . 5.000 3.143 2.905 3.491 . 0 0 "[ . 1]" 1
296 1 57 PHE H 1 57 PHE QE 5.500 . 6.000 5.928 5.873 6.017 0.017 5 0 "[ . 1]" 1
297 1 58 ILE H 1 59 LYS H 4.000 . 4.500 3.047 2.807 3.239 . 0 0 "[ . 1]" 1
298 1 58 ILE HA 1 61 THR H 4.500 . 5.000 3.321 3.218 3.445 . 0 0 "[ . 1]" 1
299 1 57 PHE H 1 58 ILE HB 4.500 . 5.000 4.562 4.373 4.848 . 0 0 "[ . 1]" 1
300 1 58 ILE H 1 58 ILE HB 3.500 . 4.000 2.354 2.231 2.499 . 0 0 "[ . 1]" 1
301 1 58 ILE HB 1 61 THR H 5.000 2.300 5.500 5.137 5.076 5.204 . 0 0 "[ . 1]" 1
302 1 58 ILE HB 1 59 LYS H 4.000 . 4.500 2.084 1.942 2.160 . 0 0 "[ . 1]" 1
303 1 58 ILE HB 1 60 THR H 5.000 . 5.500 4.657 4.553 4.777 . 0 0 "[ . 1]" 1
304 1 58 ILE H 1 58 ILE MG 4.000 . 4.500 3.693 3.668 3.705 . 0 0 "[ . 1]" 1
305 1 58 ILE MG 1 59 LYS H 4.000 . 4.500 2.702 2.200 3.270 . 0 0 "[ . 1]" 1
306 1 58 ILE MG 1 60 THR H 5.000 . 5.500 4.690 4.437 4.982 . 0 0 "[ . 1]" 1
307 1 57 PHE H 1 58 ILE QG 5.000 . 5.500 4.231 3.701 4.797 . 0 0 "[ . 1]" 1
308 1 58 ILE H 1 58 ILE QG 4.000 . 4.500 2.135 1.864 2.492 . 0 0 "[ . 1]" 1
309 1 58 ILE H 1 58 ILE MD 4.000 . 4.500 3.040 2.626 3.331 . 0 0 "[ . 1]" 1
310 1 57 PHE H 1 59 LYS QB 5.500 . 6.000 5.305 4.960 5.927 . 0 0 "[ . 1]" 1
311 1 58 ILE H 1 59 LYS QB 4.500 . 5.000 4.590 4.276 5.019 0.019 9 0 "[ . 1]" 1
312 1 59 LYS H 1 59 LYS QB 3.500 . 4.000 2.168 2.073 2.222 . 0 0 "[ . 1]" 1
313 1 59 LYS QB 1 60 THR H 3.500 . 4.000 2.730 2.430 3.305 . 0 0 "[ . 1]" 1
314 1 60 THR HB 1 61 THR H 4.000 . 4.500 2.935 2.786 3.587 . 0 0 "[ . 1]" 1
315 1 60 THR HB 1 63 LYS H 5.500 . 6.000 5.780 5.549 5.932 . 0 0 "[ . 1]" 1
316 1 60 THR H 1 60 THR HB 3.500 . 4.000 2.549 2.193 3.433 . 0 0 "[ . 1]" 1
317 1 61 THR H 1 62 VAL H 4.000 . 4.500 2.712 2.619 2.790 . 0 0 "[ . 1]" 1
318 1 60 THR H 1 61 THR H 4.000 . 4.500 2.613 2.553 2.674 . 0 0 "[ . 1]" 1
319 1 61 THR HA 1 62 VAL H 4.000 . 4.500 3.566 3.545 3.584 . 0 0 "[ . 1]" 1
320 1 61 THR HA 1 65 LEU H 4.000 . 4.500 4.517 4.482 4.542 0.042 7 0 "[ . 1]" 1
321 1 61 THR H 1 61 THR MG 4.000 . 4.500 2.786 2.673 2.882 . 0 0 "[ . 1]" 1
322 1 61 THR MG 1 64 GLU H 5.000 . 5.500 4.818 4.706 4.913 . 0 0 "[ . 1]" 1
323 1 60 THR H 1 61 THR MG 5.000 . 5.500 4.656 4.557 4.744 . 0 0 "[ . 1]" 1
324 1 62 VAL H 1 64 GLU H 4.500 . 5.000 3.881 3.718 4.023 . 0 0 "[ . 1]" 1
325 1 62 VAL H 1 63 LYS H 4.000 . 4.500 2.566 2.401 2.724 . 0 0 "[ . 1]" 1
326 1 61 THR H 1 62 VAL HA 5.000 2.300 5.500 5.381 5.312 5.445 . 0 0 "[ . 1]" 1
327 1 62 VAL HA 1 64 GLU H 5.500 . 6.000 4.143 4.032 4.235 . 0 0 "[ . 1]" 1
328 1 62 VAL HA 1 65 LEU H 4.500 . 5.000 3.177 3.032 3.441 . 0 0 "[ . 1]" 1
329 1 62 VAL HA 1 63 LYS H 4.500 . 5.000 3.580 3.565 3.595 . 0 0 "[ . 1]" 1
330 1 62 VAL H 1 62 VAL HB 3.500 . 4.000 2.375 2.262 2.537 . 0 0 "[ . 1]" 1
331 1 62 VAL HB 1 63 LYS H 4.000 . 4.500 2.353 2.142 2.535 . 0 0 "[ . 1]" 1
332 1 63 LYS QB 1 64 GLU H 3.500 . 4.000 2.646 2.497 2.792 . 0 0 "[ . 1]" 1
333 1 63 LYS H 1 63 LYS QB 3.500 . 4.000 2.150 1.950 2.557 . 0 0 "[ . 1]" 1
334 1 63 LYS H 1 64 GLU H 4.000 . 4.500 2.759 2.582 2.867 . 0 0 "[ . 1]" 1
335 1 64 GLU HA 1 65 LEU H 4.000 . 4.500 3.516 3.501 3.554 . 0 0 "[ . 1]" 1
336 1 64 GLU HA 1 66 ILE H 4.000 . 4.500 4.008 3.809 4.325 . 0 0 "[ . 1]" 1
337 1 63 LYS H 1 64 GLU HA 5.000 . 5.500 5.420 5.266 5.504 0.004 7 0 "[ . 1]" 1
338 1 64 GLU HA 1 67 SER H 3.500 . 4.000 3.466 3.205 3.749 . 0 0 "[ . 1]" 1
339 1 64 GLU QB 1 65 LEU H 4.000 . 4.500 2.809 2.569 3.496 . 0 0 "[ . 1]" 1
340 1 64 GLU H 1 64 GLU QG 3.500 . 4.000 3.462 2.282 4.000 . 0 0 "[ . 1]" 1
341 1 64 GLU QG 1 65 LEU H 4.000 . 4.500 3.883 1.865 4.439 . 0 0 "[ . 1]" 1
342 1 64 GLU H 1 65 LEU H 4.000 . 4.500 2.444 2.309 2.594 . 0 0 "[ . 1]" 1
343 1 65 LEU H 1 66 ILE H 4.000 . 4.500 2.382 2.345 2.424 . 0 0 "[ . 1]" 1
344 1 65 LEU H 1 68 LEU H 5.500 . 6.000 4.645 4.490 4.742 . 0 0 "[ . 1]" 1
345 1 63 LYS H 1 65 LEU H 5.000 . 5.500 4.082 3.982 4.296 . 0 0 "[ . 1]" 1
346 1 64 GLU H 1 65 LEU HA 5.000 . 5.500 5.158 5.038 5.296 . 0 0 "[ . 1]" 1
347 1 65 LEU HA 1 66 ILE H 4.500 . 5.000 3.469 3.442 3.528 . 0 0 "[ . 1]" 1
348 1 65 LEU HA 1 68 LEU H 4.000 . 4.500 3.453 3.150 3.692 . 0 0 "[ . 1]" 1
349 1 65 LEU HA 1 67 SER H 4.000 . 4.500 4.164 4.048 4.305 . 0 0 "[ . 1]" 1
350 1 64 GLU H 1 65 LEU QB 4.500 . 5.000 4.015 3.872 4.181 . 0 0 "[ . 1]" 1
351 1 65 LEU H 1 65 LEU QB 3.500 . 4.000 1.968 1.954 1.976 . 0 0 "[ . 1]" 1
352 1 65 LEU QB 1 66 ILE H 3.500 . 4.000 3.104 2.889 3.211 . 0 0 "[ . 1]" 1
353 1 65 LEU QB 1 67 SER H 4.500 2.300 5.000 4.909 4.771 5.008 0.008 7 0 "[ . 1]" 1
354 1 66 ILE H 1 68 LEU H 5.500 . 6.000 3.856 3.686 3.976 . 0 0 "[ . 1]" 1
355 1 66 ILE H 1 67 SER H 4.000 . 4.500 2.412 2.222 2.608 . 0 0 "[ . 1]" 1
356 1 65 LEU H 1 66 ILE HA 4.500 2.300 5.000 5.064 5.035 5.086 0.086 1 0 "[ . 1]" 1
357 1 66 ILE HA 1 68 LEU H 5.500 . 6.000 4.652 4.450 4.830 . 0 0 "[ . 1]" 1
358 1 66 ILE HA 1 69 GLU H 4.500 . 5.000 4.023 3.698 4.456 . 0 0 "[ . 1]" 1
359 1 66 ILE HA 1 67 SER H 4.000 . 4.500 3.514 3.502 3.537 . 0 0 "[ . 1]" 1
360 1 66 ILE H 1 66 ILE HB 3.500 . 4.000 2.231 2.161 2.371 . 0 0 "[ . 1]" 1
361 1 66 ILE HB 1 67 SER H 4.000 . 4.500 2.843 2.714 2.910 . 0 0 "[ . 1]" 1
362 1 66 ILE H 1 66 ILE QG 4.000 . 4.500 2.433 2.001 2.586 . 0 0 "[ . 1]" 1
363 1 66 ILE QG 1 67 SER H 4.500 . 5.000 4.188 4.041 4.266 . 0 0 "[ . 1]" 1
364 1 67 SER QB 1 68 LEU H 4.000 . 4.500 2.855 2.559 3.433 . 0 0 "[ . 1]" 1
365 1 67 SER QB 1 69 GLU H 5.500 . 6.000 4.680 4.485 5.163 . 0 0 "[ . 1]" 1
366 1 67 SER H 1 67 SER QB 3.500 . 4.000 2.370 2.012 2.866 . 0 0 "[ . 1]" 1
367 1 68 LEU HA 1 69 GLU H 4.000 . 4.500 3.316 2.974 3.554 . 0 0 "[ . 1]" 1
368 1 68 LEU HA 1 70 HIS H 4.000 . 4.500 4.384 4.151 4.547 0.047 5 0 "[ . 1]" 1
369 1 67 SER H 1 68 LEU HA 4.500 2.300 5.000 5.008 4.953 5.033 0.033 5 0 "[ . 1]" 1
370 1 68 LEU H 1 68 LEU QB 3.500 . 4.000 2.221 2.039 2.443 . 0 0 "[ . 1]" 1
371 1 68 LEU QB 1 69 GLU H 3.500 . 4.000 3.216 2.547 3.776 . 0 0 "[ . 1]" 1
372 1 69 GLU H 1 69 GLU QB 3.500 . 4.000 2.600 2.252 2.922 . 0 0 "[ . 1]" 1
373 1 69 GLU QB 1 70 HIS H 4.000 . 4.500 3.738 3.206 3.861 . 0 0 "[ . 1]" 1
374 1 22 LYS HA 1 23 LYS H 4.000 . 4.500 3.510 3.485 3.535 . 0 0 "[ . 1]" 1
375 1 22 LYS HA 1 24 LEU H 5.000 . 5.500 4.407 4.032 5.484 . 0 0 "[ . 1]" 1
376 1 22 LYS HA 1 25 LEU H 4.000 . 4.500 4.064 3.449 4.462 . 0 0 "[ . 1]" 1
377 1 19 GLU H 1 20 THR H 4.000 . 4.500 3.005 2.859 3.148 . 0 0 "[ . 1]" 1
378 1 20 THR HA 1 21 ILE H 4.500 . 5.000 3.588 3.581 3.592 . 0 0 "[ . 1]" 1
379 1 20 THR HA 1 23 LYS H 4.000 . 4.500 3.791 3.658 3.923 . 0 0 "[ . 1]" 1
380 1 20 THR HA 1 22 LYS H 4.500 . 5.000 4.873 4.686 5.038 0.038 8 0 "[ . 1]" 1
381 1 19 GLU HA 1 21 ILE H 5.000 . 5.500 4.653 4.500 4.812 . 0 0 "[ . 1]" 1
382 1 19 GLU HA 1 22 LYS H 4.000 . 4.500 3.634 3.442 3.977 . 0 0 "[ . 1]" 1
383 1 19 GLU HA 1 20 THR H 4.500 . 5.000 3.588 3.558 3.596 . 0 0 "[ . 1]" 1
384 1 19 GLU H 1 19 GLU QG 3.500 . 4.000 3.659 2.800 4.007 0.007 5 0 "[ . 1]" 1
385 1 25 LEU HA 1 26 ALA H 4.000 . 4.500 3.558 3.556 3.562 . 0 0 "[ . 1]" 1
386 1 32 GLU H 1 33 VAL H 3.500 . 4.000 2.400 2.008 2.706 . 0 0 "[ . 1]" 1
387 1 31 GLU H 1 33 VAL H 4.500 . 5.000 4.386 4.151 4.726 . 0 0 "[ . 1]" 1
388 1 33 VAL H 1 34 THR H 4.000 . 4.500 4.453 4.331 4.556 0.056 1 0 "[ . 1]" 1
389 1 33 VAL HA 1 37 GLN H 5.500 . 6.000 5.129 4.634 5.491 . 0 0 "[ . 1]" 1
390 1 33 VAL HA 1 34 THR H 3.500 . 4.000 2.253 2.204 2.362 . 0 0 "[ . 1]" 1
391 1 33 VAL HA 1 37 GLN QE 5.000 . 5.500 3.585 2.573 4.645 . 0 0 "[ . 1]" 1
392 1 30 LEU H 1 33 VAL QG 5.500 . 6.000 3.860 3.421 4.291 . 0 0 "[ . 1]" 1
393 1 33 VAL H 1 33 VAL QG 3.500 . 4.000 2.411 1.797 2.951 0.003 6 0 "[ . 1]" 1
394 1 32 GLU H 1 33 VAL QG 4.000 . 4.500 3.255 2.851 3.471 . 0 0 "[ . 1]" 1
395 1 33 VAL QG 1 34 THR H 3.500 . 4.000 2.588 1.987 3.584 . 0 0 "[ . 1]" 1
396 1 58 ILE H 1 59 LYS HA 5.500 . 6.000 5.586 5.419 5.722 . 0 0 "[ . 1]" 1
397 1 59 LYS HA 1 62 VAL H 4.000 . 4.500 3.756 3.559 3.968 . 0 0 "[ . 1]" 1
398 1 59 LYS HA 1 60 THR H 4.000 . 4.500 3.574 3.569 3.578 . 0 0 "[ . 1]" 1
399 1 59 LYS H 1 59 LYS QG 4.000 . 4.500 3.444 2.372 3.980 . 0 0 "[ . 1]" 1
400 1 59 LYS QG 1 60 THR H 5.500 . 6.000 3.172 1.772 4.416 0.028 9 0 "[ . 1]" 1
401 1 59 LYS QD 1 61 THR H 5.500 . 6.000 5.298 4.383 6.031 0.031 6 0 "[ . 1]" 1
402 1 59 LYS H 1 59 LYS QD 4.000 . 4.500 3.869 1.991 4.437 . 0 0 "[ . 1]" 1
403 1 59 LYS QD 1 60 THR H 4.500 . 5.000 3.260 2.391 4.377 . 0 0 "[ . 1]" 1
404 1 68 LEU H 1 69 GLU H 4.000 . 4.500 2.376 2.143 2.780 . 0 0 "[ . 1]" 1
405 1 69 GLU H 1 70 HIS H 4.000 . 4.500 2.282 1.974 2.830 . 0 0 "[ . 1]" 1
406 1 69 GLU H 1 69 GLU QG 4.000 . 4.500 3.885 3.394 4.196 . 0 0 "[ . 1]" 1
407 1 69 GLU QG 1 70 HIS H 5.000 . 5.500 4.522 4.368 4.656 . 0 0 "[ . 1]" 1
408 1 37 GLN H 1 39 CYS H 5.000 . 5.500 4.282 3.868 4.995 . 0 0 "[ . 1]" 1
409 1 37 GLN HA 1 40 LYS H 4.500 . 5.000 3.662 3.256 4.013 . 0 0 "[ . 1]" 1
410 1 37 GLN H 1 37 GLN QG 4.000 . 4.500 3.268 2.473 3.962 . 0 0 "[ . 1]" 1
411 1 15 GLU HA 1 18 LYS H 4.000 . 4.500 4.062 3.778 4.378 . 0 0 "[ . 1]" 1
412 1 15 GLU H 1 15 GLU QG 3.500 . 4.000 3.416 2.189 3.985 . 0 0 "[ . 1]" 1
413 1 28 ALA H 1 29 ASN HA 4.500 . 5.000 4.802 4.654 5.014 0.014 7 0 "[ . 1]" 1
414 1 29 ASN HA 1 30 LEU H 4.000 . 4.500 2.212 2.201 2.227 . 0 0 "[ . 1]" 1
415 1 29 ASN H 1 29 ASN QD 5.000 . 5.500 3.635 2.600 4.585 . 0 0 "[ . 1]" 1
416 1 43 TYR H 1 44 GLU H 4.000 . 4.500 2.838 2.723 2.956 . 0 0 "[ . 1]" 1
417 1 43 TYR HA 1 44 GLU H 4.000 . 4.500 3.573 3.569 3.583 . 0 0 "[ . 1]" 1
418 1 63 LYS HA 1 64 GLU H 4.000 . 4.500 3.541 3.526 3.562 . 0 0 "[ . 1]" 1
419 1 63 LYS HA 1 66 ILE H 5.000 . 5.500 3.445 3.274 3.638 . 0 0 "[ . 1]" 1
420 1 63 LYS H 1 63 LYS QG 4.000 . 4.500 3.372 1.916 3.954 . 0 0 "[ . 1]" 1
421 1 63 LYS H 1 63 LYS QD 4.000 . 4.500 4.215 2.996 4.514 0.014 3 0 "[ . 1]" 1
422 1 63 LYS H 1 63 LYS QE 4.000 . 4.500 4.290 3.691 4.498 . 0 0 "[ . 1]" 1
423 1 42 VAL H 1 44 GLU H 4.000 . 4.500 4.300 4.153 4.462 . 0 0 "[ . 1]" 1
424 1 44 GLU H 1 45 ASN H 4.000 . 4.500 2.903 2.853 2.975 . 0 0 "[ . 1]" 1
425 1 44 GLU H 1 46 TYR H 5.000 . 5.500 3.864 3.817 3.935 . 0 0 "[ . 1]" 1
426 1 44 GLU HA 1 45 ASN H 4.000 . 4.500 3.568 3.562 3.578 . 0 0 "[ . 1]" 1
427 1 44 GLU HA 1 46 TYR H 5.000 . 5.500 4.162 4.062 4.263 . 0 0 "[ . 1]" 1
428 1 44 GLU H 1 44 GLU QG 4.000 . 4.500 3.642 3.243 3.863 . 0 0 "[ . 1]" 1
429 1 52 THR HA 1 53 GLU H 5.000 . 5.500 3.580 3.577 3.585 . 0 0 "[ . 1]" 1
430 1 52 THR HA 1 55 LYS H 4.500 . 5.000 3.930 3.841 4.032 . 0 0 "[ . 1]" 1
431 1 52 THR HA 1 54 ARG H 5.000 . 5.500 5.255 4.992 5.407 . 0 0 "[ . 1]" 1
432 1 51 LEU H 1 52 THR MG 5.000 . 5.500 5.413 5.331 5.503 0.003 7 0 "[ . 1]" 1
433 1 52 THR MG 1 53 GLU H 4.500 . 5.000 3.847 3.796 3.885 . 0 0 "[ . 1]" 1
434 1 52 THR MG 1 55 LYS H 5.500 . 6.000 5.263 5.169 5.340 . 0 0 "[ . 1]" 1
435 1 52 THR H 1 52 THR MG 4.000 . 4.500 3.598 3.547 3.760 . 0 0 "[ . 1]" 1
436 1 52 THR MG 1 54 ARG H 5.500 . 6.000 5.832 5.633 5.987 . 0 0 "[ . 1]" 1
437 1 45 ASN H 1 45 ASN QD 5.000 . 5.500 4.022 1.850 4.765 . 0 0 "[ . 1]" 1
438 1 45 ASN H 1 46 TYR H 4.000 . 4.500 2.370 2.329 2.409 . 0 0 "[ . 1]" 1
439 1 45 ASN HA 1 46 TYR H 4.500 . 5.000 3.441 3.394 3.475 . 0 0 "[ . 1]" 1
440 1 41 LYS HA 1 42 VAL H 4.000 . 4.500 3.588 3.568 3.598 . 0 0 "[ . 1]" 1
441 1 41 LYS HA 1 44 GLU H 4.000 . 4.500 3.420 3.266 3.628 . 0 0 "[ . 1]" 1
442 1 41 LYS QG 1 42 VAL H 5.500 . 6.000 4.078 3.872 4.303 . 0 0 "[ . 1]" 1
443 1 41 LYS H 1 41 LYS QG 4.500 . 5.000 2.606 2.073 3.519 . 0 0 "[ . 1]" 1
444 1 41 LYS QD 1 42 VAL H 4.500 . 5.000 4.476 4.025 4.929 . 0 0 "[ . 1]" 1
445 1 41 LYS H 1 41 LYS QD 4.000 . 4.500 3.344 1.886 4.215 . 0 0 "[ . 1]" 1
446 1 41 LYS H 1 41 LYS QE 5.500 . 6.000 4.290 3.571 4.909 . 0 0 "[ . 1]" 1
447 1 39 CYS H 1 41 LYS H 5.000 . 5.500 4.487 3.697 5.213 . 0 0 "[ . 1]" 1
448 1 39 CYS H 1 40 LYS H 4.000 . 4.500 2.695 2.457 2.929 . 0 0 "[ . 1]" 1
449 1 39 CYS HA 1 42 VAL H 4.000 . 4.500 4.209 4.040 4.479 . 0 0 "[ . 1]" 1
450 1 38 ILE H 1 39 CYS HA 5.000 . 5.500 5.383 5.235 5.511 0.011 8 0 "[ . 1]" 1
451 1 39 CYS HA 1 40 LYS H 5.500 . 6.000 3.562 3.520 3.588 . 0 0 "[ . 1]" 1
452 1 54 ARG H 1 54 ARG HE 5.500 . 6.000 3.350 2.662 3.878 . 0 0 "[ . 1]" 1
453 1 54 ARG HA 1 54 ARG HE 4.000 . 4.500 3.145 1.950 4.386 . 0 0 "[ . 1]" 1
454 1 54 ARG HA 1 55 LYS H 4.000 . 4.500 3.488 3.443 3.522 . 0 0 "[ . 1]" 1
455 1 54 ARG HA 1 57 PHE H 4.000 . 4.500 3.305 3.128 3.513 . 0 0 "[ . 1]" 1
456 1 53 GLU H 1 54 ARG QG 5.500 . 6.000 5.516 4.756 6.002 0.002 7 0 "[ . 1]" 1
457 1 54 ARG H 1 54 ARG QG 3.500 . 4.000 3.151 2.480 3.641 . 0 0 "[ . 1]" 1
458 1 54 ARG H 1 54 ARG QD 4.500 . 5.000 3.005 2.176 4.277 . 0 0 "[ . 1]" 1
459 1 40 LYS HA 1 42 VAL H 5.500 . 6.000 5.044 4.579 5.373 . 0 0 "[ . 1]" 1
460 1 40 LYS HA 1 43 TYR H 4.500 . 5.000 4.032 3.820 4.197 . 0 0 "[ . 1]" 1
461 1 40 LYS HA 1 41 LYS H 4.500 . 5.000 3.576 3.507 3.596 . 0 0 "[ . 1]" 1
462 1 40 LYS QG 1 41 LYS H 4.000 . 4.500 4.087 3.662 4.493 . 0 0 "[ . 1]" 1
463 1 40 LYS H 1 40 LYS QE 4.500 . 5.000 4.658 3.786 4.987 . 0 0 "[ . 1]" 1
464 1 46 TYR HA 1 49 TYR H 5.000 . 5.500 3.970 3.459 5.038 . 0 0 "[ . 1]" 1
465 1 45 ASN H 1 46 TYR HA 5.000 . 5.500 5.117 5.075 5.160 . 0 0 "[ . 1]" 1
466 1 45 ASN QD 1 46 TYR HA 5.500 . 6.000 5.691 4.932 6.021 0.021 3 0 "[ . 1]" 1
467 1 46 TYR HA 1 48 THR H 5.000 . 5.500 4.036 3.230 4.442 . 0 0 "[ . 1]" 1
468 1 31 GLU H 1 32 GLU H 4.000 . 4.500 2.689 2.653 2.765 . 0 0 "[ . 1]" 1
469 1 31 GLU HA 1 33 VAL H 4.500 . 5.000 3.881 3.686 4.167 . 0 0 "[ . 1]" 1
470 1 31 GLU HA 1 32 GLU H 4.000 . 4.500 3.400 3.304 3.481 . 0 0 "[ . 1]" 1
471 1 31 GLU H 1 31 GLU QG 3.500 . 4.000 3.566 1.873 3.966 . 0 0 "[ . 1]" 1
472 1 67 SER H 1 68 LEU H 3.500 . 4.000 2.241 2.175 2.289 . 0 0 "[ . 1]" 1
473 1 67 SER H 1 69 GLU H 4.000 . 4.500 3.651 3.497 3.921 . 0 0 "[ . 1]" 1
474 1 66 ILE H 1 67 SER HA 5.500 . 6.000 5.148 4.991 5.303 . 0 0 "[ . 1]" 1
475 1 67 SER HA 1 68 LEU H 4.000 . 4.500 3.539 3.521 3.558 . 0 0 "[ . 1]" 1
476 1 67 SER HA 1 69 GLU H 4.500 . 5.000 4.329 3.923 4.932 . 0 0 "[ . 1]" 1
477 1 60 THR HA 1 64 GLU H 4.000 . 4.500 3.699 3.515 3.968 . 0 0 "[ . 1]" 1
478 1 60 THR HA 1 63 LYS H 4.000 . 4.500 3.518 3.194 3.724 . 0 0 "[ . 1]" 1
479 1 60 THR MG 1 61 THR H 4.000 . 4.500 3.799 3.445 4.218 . 0 0 "[ . 1]" 1
480 1 60 THR MG 1 62 VAL H 5.500 . 6.000 5.198 4.974 5.717 . 0 0 "[ . 1]" 1
481 1 60 THR MG 1 63 LYS H 5.500 . 6.000 4.854 4.533 5.228 . 0 0 "[ . 1]" 1
482 1 60 THR H 1 60 THR MG 4.000 . 4.500 3.599 2.821 3.710 . 0 0 "[ . 1]" 1
483 1 13 THR HA 1 14 ASP H 4.000 . 4.500 2.395 2.275 2.484 . 0 0 "[ . 1]" 1
484 1 13 THR HA 1 16 GLU H 5.000 . 5.500 4.624 4.533 4.716 . 0 0 "[ . 1]" 1
485 1 13 THR HA 1 15 GLU H 4.000 . 4.500 4.250 4.023 4.414 . 0 0 "[ . 1]" 1
486 1 13 THR HB 1 14 ASP H 4.000 . 4.500 3.236 2.574 3.982 . 0 0 "[ . 1]" 1
487 1 13 THR HB 1 16 GLU H 4.500 . 5.000 3.535 2.843 4.677 . 0 0 "[ . 1]" 1
488 1 13 THR HB 1 15 GLU H 4.000 . 4.500 3.002 2.470 4.475 . 0 0 "[ . 1]" 1
489 1 13 THR H 1 13 THR HB 4.000 . 4.500 3.107 2.355 3.628 . 0 0 "[ . 1]" 1
490 1 13 THR MG 1 14 ASP H 4.000 . 4.500 3.036 1.927 3.953 . 0 0 "[ . 1]" 1
491 1 13 THR MG 1 16 GLU H 4.000 . 4.500 4.072 2.026 4.520 0.020 8 0 "[ . 1]" 1
492 1 13 THR MG 1 15 GLU H 4.000 . 4.500 3.365 2.160 4.431 . 0 0 "[ . 1]" 1
493 1 13 THR H 1 13 THR MG 3.500 . 4.000 2.884 2.006 3.683 . 0 0 "[ . 1]" 1
494 1 34 THR H 1 37 GLN H 4.000 . 4.500 3.291 2.941 3.520 . 0 0 "[ . 1]" 1
495 1 34 THR HA 1 35 MET H 4.000 . 4.500 2.479 2.356 2.642 . 0 0 "[ . 1]" 1
496 1 34 THR HA 1 36 LYS H 4.000 . 4.500 4.259 4.065 4.502 0.002 2 0 "[ . 1]" 1
497 1 34 THR HA 1 37 GLN H 4.500 2.300 5.000 4.873 4.605 5.006 0.006 10 0 "[ . 1]" 1
498 1 27 SER HA 1 28 ALA H 4.000 . 4.500 3.131 2.723 3.430 . 0 0 "[ . 1]" 1
499 1 48 THR HA 1 49 TYR H 4.000 . 4.500 3.281 2.724 3.560 . 0 0 "[ . 1]" 1
500 1 48 THR MG 1 49 TYR H 4.000 . 4.500 3.890 2.191 4.370 . 0 0 "[ . 1]" 1
501 1 48 THR H 1 48 THR MG 4.000 . 4.500 2.596 1.885 3.330 . 0 0 "[ . 1]" 1
502 1 24 LEU H 1 24 LEU HG 3.500 . 4.000 2.122 1.849 3.995 . 0 0 "[ . 1]" 1
503 1 24 LEU H 1 24 LEU QD 3.500 . 4.000 2.786 1.867 3.008 . 0 0 "[ . 1]" 1
504 1 24 LEU QD 1 45 ASN QD 5.000 . 5.500 4.753 2.538 5.478 . 0 0 "[ . 1]" 1
505 1 24 LEU QD 1 41 LYS H 4.000 . 4.500 3.884 3.500 4.217 . 0 0 "[ . 1]" 1
506 1 23 LYS H 1 23 LYS QG 4.000 . 4.500 3.253 1.940 4.013 . 0 0 "[ . 1]" 1
507 1 23 LYS QG 1 24 LEU H 4.500 . 5.000 4.161 3.628 4.526 . 0 0 "[ . 1]" 1
508 1 23 LYS H 1 23 LYS QD 4.000 . 4.500 3.677 2.987 4.316 . 0 0 "[ . 1]" 1
509 1 21 ILE H 1 21 ILE MG 3.500 . 4.000 3.698 3.690 3.703 . 0 0 "[ . 1]" 1
510 1 21 ILE MG 1 23 LYS H 4.000 . 4.500 4.523 4.504 4.532 0.032 5 0 "[ . 1]" 1
511 1 21 ILE MG 1 22 LYS H 3.500 . 4.000 3.285 3.074 3.470 . 0 0 "[ . 1]" 1
512 1 20 THR MG 1 21 ILE H 4.000 . 4.500 3.005 2.769 3.178 . 0 0 "[ . 1]" 1
513 1 20 THR MG 1 23 LYS H 4.500 . 5.000 4.567 4.433 4.682 . 0 0 "[ . 1]" 1
514 1 20 THR MG 1 42 VAL H 5.500 . 6.000 4.304 4.101 4.760 . 0 0 "[ . 1]" 1
515 1 20 THR MG 1 22 LYS H 5.000 . 5.500 5.034 4.802 5.195 . 0 0 "[ . 1]" 1
516 1 20 THR MG 1 45 ASN H 5.000 . 5.500 3.664 3.540 3.766 . 0 0 "[ . 1]" 1
517 1 20 THR MG 1 45 ASN QD 5.000 . 5.500 3.165 2.362 4.089 . 0 0 "[ . 1]" 1
518 1 66 ILE H 1 66 ILE MG 3.500 . 4.000 3.664 3.628 3.697 . 0 0 "[ . 1]" 1
519 1 66 ILE H 1 66 ILE MD 4.000 . 4.500 3.694 3.421 3.859 . 0 0 "[ . 1]" 1
520 1 66 ILE MD 1 67 SER H 4.500 . 5.000 4.788 4.661 4.865 . 0 0 "[ . 1]" 1
521 1 65 LEU H 1 65 LEU HG 4.000 2.300 4.500 4.291 4.223 4.326 . 0 0 "[ . 1]" 1
522 1 30 LEU H 1 65 LEU QD 4.000 . 4.500 4.481 4.375 4.529 0.029 2 0 "[ . 1]" 1
523 1 64 GLU H 1 65 LEU QD 4.000 . 4.500 4.540 4.515 4.556 0.056 8 0 "[ . 1]" 1
524 1 65 LEU H 1 65 LEU QD 3.500 . 4.000 2.966 2.840 3.070 . 0 0 "[ . 1]" 1
525 1 65 LEU QD 1 66 ILE H 4.000 . 4.500 2.483 2.110 2.718 . 0 0 "[ . 1]" 1
526 1 33 VAL H 1 65 LEU QD 5.000 . 5.500 5.455 5.345 5.526 0.026 5 0 "[ . 1]" 1
527 1 31 GLU H 1 65 LEU QD 5.000 . 5.500 4.983 4.713 5.213 . 0 0 "[ . 1]" 1
528 1 65 LEU QD 1 67 SER H 4.000 . 4.500 4.281 4.054 4.437 . 0 0 "[ . 1]" 1
529 1 38 ILE H 1 38 ILE MG 4.000 . 4.500 3.698 3.677 3.720 . 0 0 "[ . 1]" 1
530 1 38 ILE MG 1 61 THR H 4.000 . 4.500 4.507 4.450 4.551 0.051 8 0 "[ . 1]" 1
531 1 38 ILE MG 1 62 VAL H 4.000 . 4.500 3.391 3.325 3.435 . 0 0 "[ . 1]" 1
532 1 38 ILE MG 1 63 LYS H 4.000 . 4.500 4.437 4.293 4.517 0.017 3 0 "[ . 1]" 1
533 1 38 ILE MG 1 39 CYS H 4.000 . 4.500 3.246 2.863 3.507 . 0 0 "[ . 1]" 1
534 1 38 ILE H 1 38 ILE QG 3.500 . 4.000 2.117 2.013 2.282 . 0 0 "[ . 1]" 1
535 1 38 ILE QG 1 39 CYS H 5.000 . 5.500 4.015 3.723 4.225 . 0 0 "[ . 1]" 1
536 1 38 ILE H 1 38 ILE MD 4.000 . 4.500 2.973 2.778 3.231 . 0 0 "[ . 1]" 1
537 1 25 LEU H 1 38 ILE MD 4.000 . 4.500 3.976 3.416 4.356 . 0 0 "[ . 1]" 1
538 1 38 ILE MD 1 39 CYS H 5.000 . 5.500 4.431 4.314 4.544 . 0 0 "[ . 1]" 1
539 1 68 LEU H 1 68 LEU MD1 4.000 . 4.500 3.763 2.504 4.317 . 0 0 "[ . 1]" 1
540 1 68 LEU H 1 68 LEU MD2 4.000 . 4.500 4.098 3.217 4.428 . 0 0 "[ . 1]" 1
541 1 68 LEU QD 1 69 GLU H 4.000 . 4.500 4.157 3.677 4.475 . 0 0 "[ . 1]" 1
542 1 68 LEU QD 1 70 HIS H 5.500 . 6.000 5.319 4.749 5.861 . 0 0 "[ . 1]" 1
543 1 21 ILE H 1 62 VAL QG 5.000 2.800 5.500 5.487 5.404 5.530 0.030 5 0 "[ . 1]" 1
544 1 38 ILE H 1 62 VAL QG 5.500 . 6.000 4.201 3.957 4.463 . 0 0 "[ . 1]" 1
545 1 61 THR H 1 62 VAL QG 4.000 . 4.500 4.103 4.013 4.242 . 0 0 "[ . 1]" 1
546 1 62 VAL H 1 62 VAL QG 3.500 . 4.000 2.201 2.066 2.430 . 0 0 "[ . 1]" 1
547 1 62 VAL QG 1 64 GLU H 5.000 . 5.500 4.393 4.306 4.526 . 0 0 "[ . 1]" 1
548 1 25 LEU H 1 62 VAL QG 4.000 . 4.500 3.996 3.649 4.343 . 0 0 "[ . 1]" 1
549 1 62 VAL QG 1 63 LYS H 4.000 . 4.500 3.111 3.001 3.243 . 0 0 "[ . 1]" 1
550 1 39 CYS H 1 62 VAL QG 5.500 . 6.000 5.184 4.863 5.456 . 0 0 "[ . 1]" 1
551 1 47 PRO HA 1 49 TYR H 4.500 . 5.000 3.880 3.716 4.473 . 0 0 "[ . 1]" 1
552 1 47 PRO HA 1 48 THR H 4.500 . 5.000 3.580 3.489 3.594 . 0 0 "[ . 1]" 1
553 1 47 PRO QG 1 49 TYR H 5.500 . 6.000 4.586 4.324 5.154 . 0 0 "[ . 1]" 1
554 1 47 PRO QG 1 48 THR H 4.500 . 5.000 2.011 1.845 2.702 . 0 0 "[ . 1]" 1
555 1 46 TYR H 1 47 PRO QD 4.500 . 5.000 2.321 2.215 2.541 . 0 0 "[ . 1]" 1
556 1 47 PRO QD 1 48 THR H 4.500 . 5.000 2.554 2.408 2.649 . 0 0 "[ . 1]" 1
557 1 3 PRO HA 1 4 LEU H 3.500 . 4.000 3.502 3.343 3.590 . 0 0 "[ . 1]" 1
558 1 3 PRO QG 1 4 LEU H 5.000 . 5.500 2.543 1.859 3.269 . 0 0 "[ . 1]" 1
559 1 2 GLU H 1 3 PRO QD 5.500 . 6.000 2.029 1.831 2.246 . 0 0 "[ . 1]" 1
560 1 12 PRO HA 1 16 GLU H 5.000 . 5.500 5.226 4.790 5.501 0.001 2 0 "[ . 1]" 1
561 1 12 PRO HA 1 17 LEU H 5.500 . 6.000 5.531 5.156 5.905 . 0 0 "[ . 1]" 1
562 1 12 PRO HA 1 13 THR H 3.500 . 4.000 2.279 2.212 2.477 . 0 0 "[ . 1]" 1
563 1 12 PRO QG 1 16 GLU H 5.000 . 5.500 5.490 5.339 5.527 0.027 9 0 "[ . 1]" 1
564 1 12 PRO QD 1 13 THR H 5.500 . 6.000 4.921 4.797 4.999 . 0 0 "[ . 1]" 1
565 1 43 TYR QE 1 51 LEU QB . . 4.000 2.698 2.083 3.196 . 0 0 "[ . 1]" 1
566 1 43 TYR QD 1 51 LEU QB . . 4.000 3.680 3.408 3.968 . 0 0 "[ . 1]" 1
567 1 51 LEU HG 1 57 PHE QD 5.500 . 6.000 6.017 5.987 6.045 0.045 2 0 "[ . 1]" 1
568 1 17 LEU QD 1 51 LEU HG 4.000 . 4.500 2.532 2.200 2.856 . 0 0 "[ . 1]" 1
569 1 43 TYR QD 1 51 LEU HG . 2.300 4.500 4.486 4.325 4.533 0.033 3 0 "[ . 1]" 1
570 1 46 TYR QD 1 51 LEU HG . . 4.000 3.886 3.582 4.007 0.007 5 0 "[ . 1]" 1
571 1 43 TYR QD 1 51 LEU QD 5.500 . 6.000 4.625 4.540 4.754 . 0 0 "[ . 1]" 1
572 1 46 TYR QD 1 51 LEU QD 5.500 . 6.000 3.473 3.280 3.729 . 0 0 "[ . 1]" 1
573 1 30 LEU QB 1 30 LEU HG 2.500 . 3.000 2.309 2.279 2.366 . 0 0 "[ . 1]" 1
574 1 30 LEU HA 1 30 LEU QD . . 4.000 1.996 1.808 2.317 . 0 0 "[ . 1]" 1
575 1 28 ALA MB 1 33 VAL QG 4.000 . 4.500 2.391 1.802 3.332 . 0 0 "[ . 1]" 1
576 1 10 LYS HA 1 11 PRO QD . . 4.000 2.012 1.903 2.346 . 0 0 "[ . 1]" 1
577 1 8 LEU QD 1 9 LYS HA 5.500 . 6.000 4.633 2.431 5.697 . 0 0 "[ . 1]" 1
578 1 57 PHE HA 1 57 PHE QE 5.500 . 6.000 4.876 4.776 4.934 . 0 0 "[ . 1]" 1
579 1 57 PHE HA 1 60 THR HB 4.000 . 4.000 2.752 2.258 3.930 . 0 0 "[ . 1]" 1
580 1 57 PHE QD 1 58 ILE HB . . 5.000 4.665 4.309 4.973 . 0 0 "[ . 1]" 1
581 1 57 PHE QD 1 58 ILE QG 5.500 . 6.000 2.503 2.136 2.908 . 0 0 "[ . 1]" 1
582 1 43 TYR QE 1 58 ILE QG 5.500 . 6.000 5.505 4.629 5.955 . 0 0 "[ . 1]" 1
583 1 43 TYR QD 1 58 ILE QG 5.500 . 6.000 5.743 5.009 6.021 0.021 2 0 "[ . 1]" 1
584 1 9 LYS HA 1 9 LYS QD . . 5.000 3.537 2.041 4.425 . 0 0 "[ . 1]" 1
585 1 9 LYS HA 1 9 LYS QE 5.500 . 6.000 4.068 3.117 4.675 . 0 0 "[ . 1]" 1
586 1 7 LYS HA 1 7 LYS QE 5.500 . 6.000 4.003 2.606 4.904 . 0 0 "[ . 1]" 1
587 1 2 GLU HA 1 3 PRO QD . . 4.000 3.469 3.463 3.479 . 0 0 "[ . 1]" 1
588 1 14 ASP QB 1 57 PHE HZ 5.500 . 6.000 4.015 3.602 5.015 . 0 0 "[ . 1]" 1
589 1 14 ASP QB 1 57 PHE QE . . 5.000 3.953 3.673 4.283 . 0 0 "[ . 1]" 1
590 1 21 ILE HB 1 21 ILE MD 3.500 . 4.000 1.991 1.931 2.069 . 0 0 "[ . 1]" 1
591 1 21 ILE MG 1 38 ILE HA 4.000 . 4.500 4.488 4.418 4.531 0.031 10 0 "[ . 1]" 1
592 1 4 LEU HA 1 4 LEU QD . . 4.000 2.325 1.806 2.856 . 0 0 "[ . 1]" 1
593 1 62 VAL HB 1 66 ILE MD 4.000 . 4.500 4.048 3.555 4.422 . 0 0 "[ . 1]" 1
594 1 24 LEU QD 1 62 VAL QG 3.000 2.300 3.500 3.383 2.890 3.542 0.042 8 0 "[ . 1]" 1
595 1 62 VAL QG 1 66 ILE MD 3.000 2.300 3.500 2.328 2.290 2.455 0.010 8 0 "[ . 1]" 1
596 1 62 VAL QG 1 65 LEU QD 3.500 . 4.000 2.287 2.068 2.619 . 0 0 "[ . 1]" 1
597 1 38 ILE MG 1 62 VAL QG 4.000 . 4.000 1.807 1.787 1.862 0.013 9 0 "[ . 1]" 1
598 1 38 ILE MD 1 62 VAL QG 4.000 . 4.500 1.777 1.740 1.802 0.060 2 0 "[ . 1]" 1
599 1 68 LEU HA 1 68 LEU QD . . 4.000 2.304 1.794 2.909 0.006 6 0 "[ . 1]" 1
600 1 24 LEU QB 1 58 ILE MG 5.500 . 6.000 5.574 5.244 6.015 0.015 2 0 "[ . 1]" 1
601 1 24 LEU QB 1 62 VAL QG 5.500 . 6.000 3.758 3.435 5.287 . 0 0 "[ . 1]" 1
602 1 24 LEU QB 1 24 LEU QD 2.500 . 3.000 1.880 1.799 1.959 0.001 8 0 "[ . 1]" 1
603 1 24 LEU QB 1 38 ILE MD 4.500 . 5.000 2.863 2.458 4.264 . 0 0 "[ . 1]" 1
604 1 24 LEU HA 1 24 LEU QD . . 4.000 2.211 1.965 3.358 . 0 0 "[ . 1]" 1
605 1 24 LEU QD 1 61 THR MG 4.000 . 4.500 4.487 4.184 4.545 0.045 4 0 "[ . 1]" 1
606 1 24 LEU QD 1 38 ILE HA 5.500 . 6.000 2.732 2.435 3.100 . 0 0 "[ . 1]" 1
607 1 24 LEU QD 1 38 ILE MD 3.000 2.300 3.500 2.411 2.276 2.625 0.024 2 0 "[ . 1]" 1
608 1 55 LYS HA 1 55 LYS QE 5.500 . 6.000 4.277 2.736 4.913 . 0 0 "[ . 1]" 1
609 1 38 ILE HB 1 61 THR MG 5.500 . 6.000 5.483 5.355 5.713 . 0 0 "[ . 1]" 1
610 1 38 ILE QG 1 61 THR MG 4.000 . 4.500 4.228 4.078 4.412 . 0 0 "[ . 1]" 1
611 1 38 ILE MD 1 61 THR MG 3.500 . 4.000 4.005 3.981 4.048 0.048 2 0 "[ . 1]" 1
612 1 49 TYR HA 1 49 TYR QE 5.500 . 6.000 4.277 4.061 4.485 . 0 0 "[ . 1]" 1
613 1 49 TYR HA 1 49 TYR QD . . 4.000 2.038 1.851 2.315 . 0 0 "[ . 1]" 1
614 1 49 TYR QB 1 49 TYR QE . . 4.000 3.986 3.971 4.002 0.002 6 0 "[ . 1]" 1
615 1 49 TYR QB 1 49 TYR QD . . 3.000 2.210 2.162 2.274 . 0 0 "[ . 1]" 1
616 1 49 TYR QE 1 51 LEU QD 5.500 . 6.000 4.850 4.651 5.065 . 0 0 "[ . 1]" 1
617 1 46 TYR QD 1 49 TYR QE 5.500 . 6.000 2.852 2.668 3.014 . 0 0 "[ . 1]" 1
618 1 49 TYR QD 1 51 LEU QD . . 5.000 3.305 2.996 3.658 . 0 0 "[ . 1]" 1
619 1 46 TYR HA 1 49 TYR QD 5.500 . 6.000 2.306 1.869 2.899 . 0 0 "[ . 1]" 1
620 1 46 TYR QD 1 49 TYR QD . . 4.000 2.098 1.903 2.285 . 0 0 "[ . 1]" 1
621 1 66 ILE HA 1 66 ILE MD 4.500 . 5.000 3.729 3.676 3.802 . 0 0 "[ . 1]" 1
622 1 17 LEU HA 1 57 PHE QD 5.500 . 6.000 5.989 5.919 6.036 0.036 8 0 "[ . 1]" 1
623 1 17 LEU HA 1 57 PHE QE 5.500 . 6.000 4.741 4.482 5.149 . 0 0 "[ . 1]" 1
624 1 17 LEU HA 1 20 THR HB . . 5.000 3.053 2.908 3.252 . 0 0 "[ . 1]" 1
625 1 17 LEU HA 1 46 TYR QE . . 5.000 2.359 1.988 2.669 . 0 0 "[ . 1]" 1
626 1 17 LEU QB 1 57 PHE HZ 5.500 . 6.000 3.946 3.345 4.405 . 0 0 "[ . 1]" 1
627 1 17 LEU QB 1 57 PHE QD 5.500 . 6.000 3.345 3.236 3.452 . 0 0 "[ . 1]" 1
628 1 17 LEU QB 1 57 PHE QE . . 5.000 2.074 1.831 2.396 . 0 0 "[ . 1]" 1
629 1 17 LEU QD 1 57 PHE QD . . 4.000 2.648 2.066 3.584 . 0 0 "[ . 1]" 1
630 1 17 LEU QD 1 57 PHE QE . . 5.000 2.847 1.904 3.677 . 0 0 "[ . 1]" 1
631 1 17 LEU HA 1 17 LEU QD . . 4.000 1.872 1.804 1.989 . 0 0 "[ . 1]" 1
632 1 17 LEU QD 1 43 TYR QE 5.500 . 6.000 5.238 4.905 5.413 . 0 0 "[ . 1]" 1
633 1 17 LEU QD 1 43 TYR QD 5.500 . 6.000 5.082 4.823 5.261 . 0 0 "[ . 1]" 1
634 1 17 LEU QD 1 46 TYR QD . . 5.000 2.646 2.319 2.938 . 0 0 "[ . 1]" 1
635 1 17 LEU QD 1 46 TYR QE . . 4.000 2.191 2.008 2.392 . 0 0 "[ . 1]" 1
636 1 23 LYS QB 1 23 LYS QD 3.000 . 3.000 2.075 1.891 2.451 . 0 0 "[ . 1]" 1
637 1 23 LYS HA 1 23 LYS QG . . 4.000 2.198 1.948 2.518 . 0 0 "[ . 1]" 1
638 1 23 LYS HA 1 23 LYS QD . . 4.000 3.310 2.340 3.966 . 0 0 "[ . 1]" 1
639 1 56 ASP QB 1 59 LYS QE 4.000 . 4.500 3.726 2.722 4.503 0.003 8 0 "[ . 1]" 1
640 1 65 LEU HA 1 65 LEU QD . . 4.000 3.271 3.248 3.311 . 0 0 "[ . 1]" 1
641 1 61 THR HA 1 64 GLU QB 5.500 . 6.000 3.068 2.667 3.898 . 0 0 "[ . 1]" 1
642 1 38 ILE HA 1 38 ILE MD 4.000 . 4.500 1.838 1.801 1.869 . 0 0 "[ . 1]" 1
643 1 38 ILE MD 1 38 ILE MG 3.000 . 3.500 1.918 1.815 2.025 . 0 0 "[ . 1]" 1
644 1 38 ILE HA 1 38 ILE QG 3.500 . 4.000 2.963 2.861 3.029 . 0 0 "[ . 1]" 1
645 1 25 LEU HA 1 38 ILE MD 4.500 . 5.000 4.280 3.383 4.698 . 0 0 "[ . 1]" 1
646 1 33 VAL QG 1 38 ILE MD 3.000 . 3.500 2.166 1.830 2.863 . 0 0 "[ . 1]" 1
647 1 22 LYS QB 1 23 LYS QE 4.500 . 5.000 4.547 3.896 4.952 . 0 0 "[ . 1]" 1
648 1 22 LYS QB 1 22 LYS QD . . 3.000 2.145 1.922 2.442 . 0 0 "[ . 1]" 1
649 1 22 LYS HA 1 22 LYS QD 4.500 . 5.000 3.369 1.834 4.116 . 0 0 "[ . 1]" 1
650 1 20 THR HB 1 46 TYR QE . . 5.000 2.235 2.047 2.701 . 0 0 "[ . 1]" 1
651 1 20 THR MG 1 46 TYR QD 5.500 . 6.000 3.280 3.041 3.935 . 0 0 "[ . 1]" 1
652 1 20 THR MG 1 46 TYR QE . . 5.000 2.488 2.057 2.707 . 0 0 "[ . 1]" 1
653 1 21 ILE HA 1 25 LEU QD 5.500 . 6.000 4.026 3.400 4.907 . 0 0 "[ . 1]" 1
654 1 24 LEU HA 1 25 LEU QD 5.500 . 6.000 5.175 4.756 5.895 . 0 0 "[ . 1]" 1
655 1 25 LEU HA 1 25 LEU QD . . 4.000 2.960 2.151 3.421 . 0 0 "[ . 1]" 1
656 1 30 LEU HA 1 33 VAL QG . . 5.000 2.252 1.800 2.916 0.000 5 0 "[ . 1]" 1
657 1 30 LEU QD 1 33 VAL QG 4.000 . 4.000 2.918 2.493 3.444 . 0 0 "[ . 1]" 1
658 1 33 VAL QG 1 38 ILE QG 4.000 . 4.500 2.405 2.135 3.019 . 0 0 "[ . 1]" 1
659 1 59 LYS HA 1 59 LYS QD 4.000 . 4.500 3.909 3.034 4.272 . 0 0 "[ . 1]" 1
660 1 59 LYS HA 1 59 LYS QE 5.500 . 6.000 4.687 3.768 5.518 . 0 0 "[ . 1]" 1
661 1 43 TYR HA 1 43 TYR QD . . 4.000 1.859 1.812 1.918 . 0 0 "[ . 1]" 1
662 1 43 TYR HA 1 46 TYR QD 5.500 . 6.000 4.016 3.686 4.308 . 0 0 "[ . 1]" 1
663 1 40 LYS HA 1 43 TYR QB . . 5.000 2.957 2.622 3.383 . 0 0 "[ . 1]" 1
664 1 63 LYS QB 1 63 LYS QE 2.500 . 3.000 2.212 1.817 2.745 . 0 0 "[ . 1]" 1
665 1 18 LYS QG 1 61 THR MG 4.000 . 4.500 4.011 3.477 4.511 0.011 5 0 "[ . 1]" 1
666 1 63 LYS HA 1 63 LYS QD . . 5.000 3.667 3.068 4.208 . 0 0 "[ . 1]" 1
667 1 63 LYS HA 1 63 LYS QE 5.500 . 6.000 3.708 2.027 4.447 . 0 0 "[ . 1]" 1
668 1 45 ASN QB 1 46 TYR QD . . 5.000 3.326 3.104 3.483 . 0 0 "[ . 1]" 1
669 1 45 ASN QB 1 46 TYR QE . . 5.000 3.340 2.979 3.591 . 0 0 "[ . 1]" 1
670 1 41 LYS HA 1 41 LYS QD . . 4.000 2.995 2.206 4.034 0.034 9 0 "[ . 1]" 1
671 1 41 LYS QB 1 41 LYS QD 3.000 . 3.500 2.093 1.891 2.306 . 0 0 "[ . 1]" 1
672 1 41 LYS HA 1 41 LYS QE 5.500 . 6.000 3.835 2.179 4.717 . 0 0 "[ . 1]" 1
673 1 40 LYS HA 1 43 TYR QE 5.500 . 6.000 5.252 4.226 5.768 . 0 0 "[ . 1]" 1
674 1 40 LYS HA 1 43 TYR QD . . 4.000 3.717 2.971 4.017 0.017 5 0 "[ . 1]" 1
675 1 40 LYS HA 1 40 LYS QB 2.500 . 3.000 2.489 2.423 2.546 . 0 0 "[ . 1]" 1
676 1 40 LYS QB 1 40 LYS QD 3.000 . 3.500 2.150 1.898 2.452 . 0 0 "[ . 1]" 1
677 1 40 LYS HA 1 40 LYS QD 3.000 . 3.500 2.689 1.966 3.521 0.021 6 0 "[ . 1]" 1
678 1 40 LYS HA 1 40 LYS QE 5.500 . 6.000 3.311 2.243 4.245 . 0 0 "[ . 1]" 1
679 1 43 TYR QD 1 46 TYR HA 5.500 . 6.000 6.008 5.962 6.035 0.035 8 0 "[ . 1]" 1
680 1 46 TYR HA 1 47 PRO QD . . 5.000 2.434 2.335 2.528 . 0 0 "[ . 1]" 1
681 1 46 TYR HA 1 46 TYR QE 5.500 . 6.000 4.289 4.170 4.451 . 0 0 "[ . 1]" 1
682 1 46 TYR QB 1 49 TYR QD . 2.300 3.500 2.761 2.506 2.998 . 0 0 "[ . 1]" 1
683 1 46 TYR QB 1 46 TYR QD . . 3.000 2.186 2.166 2.223 . 0 0 "[ . 1]" 1
684 1 48 THR HA 1 48 THR HB 3.000 . 3.500 2.639 2.434 2.917 . 0 0 "[ . 1]" 1
685 1 3 PRO HA 1 3 PRO QG 3.000 . 3.500 3.514 3.511 3.517 0.017 10 0 "[ . 1]" 1
686 1 12 PRO QB 1 46 TYR QE 5.500 . 6.000 2.571 2.333 2.706 . 0 0 "[ . 1]" 1
687 1 12 PRO QD 1 51 LEU QD 3.500 . 4.000 2.698 2.258 3.351 . 0 0 "[ . 1]" 1
688 1 36 LYS HA 1 36 LYS QE . . 5.000 3.842 2.552 4.606 . 0 0 "[ . 1]" 1
689 1 46 TYR QE 1 51 LEU QD 5.500 . 6.000 4.404 4.216 4.530 . 0 0 "[ . 1]" 1
690 1 14 ASP QB 1 57 PHE QD 4.500 . 5.000 4.895 4.759 5.016 0.016 2 0 "[ . 1]" 1
691 1 21 ILE QG 1 46 TYR QE 3.500 . 4.000 3.987 3.933 4.023 0.023 4 0 "[ . 1]" 1
692 1 46 TYR QE 1 49 TYR QE 3.500 . 4.000 3.863 3.500 4.021 0.021 9 0 "[ . 1]" 1
693 1 46 TYR QB 1 49 TYR QE 5.500 . 6.000 4.759 4.482 4.928 . 0 0 "[ . 1]" 1
694 1 12 PRO HA 1 46 TYR QE 4.500 . 5.000 4.953 4.669 5.041 0.041 9 0 "[ . 1]" 1
695 1 12 PRO HB3 1 46 TYR QE 4.500 . 5.000 2.706 2.405 2.810 . 0 0 "[ . 1]" 1
696 1 12 PRO HB2 1 46 TYR QE 4.500 . 5.000 3.242 2.869 3.531 . 0 0 "[ . 1]" 1
697 1 46 TYR HA 1 51 LEU HG 5.500 . 6.000 5.909 5.685 6.022 0.022 3 0 "[ . 1]" 1
698 1 46 TYR QB 1 51 LEU HG 4.500 . 5.000 3.195 3.000 3.320 . 0 0 "[ . 1]" 1
699 1 49 TYR HA 1 51 LEU QD 5.500 . 6.000 4.230 3.957 4.601 . 0 0 "[ . 1]" 1
700 1 6 LYS HA 1 6 LYS QG 3.500 . 4.000 2.322 1.968 3.281 . 0 0 "[ . 1]" 1
701 1 6 LYS HA 1 6 LYS QD 4.500 . 5.000 3.455 1.996 4.346 . 0 0 "[ . 1]" 1
702 1 5 ILE MG 1 6 LYS HA 4.500 . 5.000 3.782 3.122 4.533 . 0 0 "[ . 1]" 1
703 1 5 ILE MD 1 6 LYS HA 5.500 . 6.000 5.663 5.084 6.007 0.007 9 0 "[ . 1]" 1
704 1 6 LYS HA 1 6 LYS QE 5.500 . 6.000 4.232 3.381 4.646 . 0 0 "[ . 1]" 1
705 1 28 ALA MB 1 30 LEU HA 4.500 . 5.000 4.645 4.466 4.795 . 0 0 "[ . 1]" 1
706 1 28 ALA MB 1 30 LEU HG 5.500 . 6.000 5.832 5.508 6.008 0.008 5 0 "[ . 1]" 1
707 1 28 ALA HA 1 30 LEU QD 5.500 . 6.000 5.403 5.029 5.876 . 0 0 "[ . 1]" 1
708 1 28 ALA MB 1 30 LEU QD 3.500 . 4.000 3.880 3.618 4.013 0.013 2 0 "[ . 1]" 1
709 1 30 LEU QD 1 33 VAL HB 4.500 . 5.000 4.112 3.606 4.928 . 0 0 "[ . 1]" 1
710 1 30 LEU QD 1 69 GLU QB 4.500 . 5.000 3.053 2.684 3.363 . 0 0 "[ . 1]" 1
711 1 30 LEU QD 1 69 GLU QG 4.500 . 5.000 4.235 3.463 4.779 . 0 0 "[ . 1]" 1
712 1 30 LEU QD 1 70 HIS QB 4.500 . 5.000 4.372 3.986 4.939 . 0 0 "[ . 1]" 1
713 1 28 ALA HA 1 29 ASN HA 5.500 . 6.000 4.436 4.412 4.500 . 0 0 "[ . 1]" 1
714 1 27 SER HA 1 28 ALA HA 5.500 . 6.000 4.488 4.413 4.564 . 0 0 "[ . 1]" 1
715 1 25 LEU HA 1 28 ALA MB 3.500 . 4.000 2.885 2.418 3.667 . 0 0 "[ . 1]" 1
716 1 25 LEU QD 1 28 ALA MB 4.500 . 5.000 4.397 3.514 5.006 0.006 10 0 "[ . 1]" 1
717 1 28 ALA MB 1 33 VAL HB 4.500 . 5.000 4.095 3.076 5.011 0.011 3 0 "[ . 1]" 1
718 1 28 ALA MB 1 29 ASN HA 5.500 . 6.000 4.270 4.099 4.400 . 0 0 "[ . 1]" 1
719 1 27 SER QB 1 28 ALA MB 5.500 . 6.000 3.827 3.225 4.246 . 0 0 "[ . 1]" 1
720 1 8 LEU HA 1 8 LEU QD 3.500 . 4.000 2.722 2.127 3.367 . 0 0 "[ . 1]" 1
721 1 8 LEU QB 1 8 LEU HG 2.500 . 3.000 2.496 2.417 2.546 . 0 0 "[ . 1]" 1
722 1 57 PHE QD 1 58 ILE HA 5.500 . 6.000 3.765 3.560 3.983 . 0 0 "[ . 1]" 1
723 1 57 PHE QD 1 58 ILE MD 5.500 . 6.000 3.216 2.049 3.980 . 0 0 "[ . 1]" 1
724 1 57 PHE QD 1 60 THR HB 5.500 . 6.000 4.086 3.619 4.526 . 0 0 "[ . 1]" 1
725 1 14 ASP HA 1 57 PHE QE 4.500 . 5.000 3.437 2.952 3.728 . 0 0 "[ . 1]" 1
726 1 17 LEU QD 1 58 ILE HB 5.500 . 6.000 4.308 4.066 4.526 . 0 0 "[ . 1]" 1
727 1 58 ILE MD 1 58 ILE MG 3.500 . 4.000 2.202 1.784 2.515 0.016 10 0 "[ . 1]" 1
728 1 17 LEU QD 1 58 ILE MG 4.500 . 5.000 3.614 3.001 3.993 . 0 0 "[ . 1]" 1
729 1 9 LYS QB 1 9 LYS QD 2.500 . 3.000 2.128 1.922 2.321 . 0 0 "[ . 1]" 1
730 1 10 LYS HA 1 10 LYS QD 4.500 . 5.000 3.574 2.484 4.255 . 0 0 "[ . 1]" 1
731 1 10 LYS QB 1 10 LYS QD 2.500 . 3.000 2.103 1.968 2.298 . 0 0 "[ . 1]" 1
732 1 10 LYS QB 1 11 PRO QD 4.500 . 5.000 3.036 2.013 3.755 . 0 0 "[ . 1]" 1
733 1 10 LYS QG 1 11 PRO QD 4.500 . 5.000 3.302 1.789 4.279 0.011 2 0 "[ . 1]" 1
734 1 10 LYS QD 1 11 PRO QD 4.500 . 5.000 4.261 3.597 5.002 0.002 10 0 "[ . 1]" 1
735 1 7 LYS HA 1 7 LYS QD 4.500 . 5.000 3.580 2.700 4.443 . 0 0 "[ . 1]" 1
736 1 2 GLU HA 1 3 PRO QG 5.500 . 6.000 5.249 5.238 5.264 . 0 0 "[ . 1]" 1
737 1 14 ASP HA 1 17 LEU QB 5.500 . 6.000 2.440 2.046 2.756 . 0 0 "[ . 1]" 1
738 1 14 ASP HA 1 17 LEU QD 4.500 . 5.000 2.868 2.514 3.282 . 0 0 "[ . 1]" 1
739 1 21 ILE HA 1 21 ILE QG 3.500 . 4.000 2.421 2.336 2.501 . 0 0 "[ . 1]" 1
740 1 21 ILE HA 1 21 ILE MD 4.500 . 5.000 3.830 3.756 3.889 . 0 0 "[ . 1]" 1
741 1 21 ILE HA 1 24 LEU QB 5.500 . 6.000 2.815 2.108 4.051 . 0 0 "[ . 1]" 1
742 1 21 ILE HA 1 24 LEU HG 5.500 . 6.000 2.685 1.969 4.308 . 0 0 "[ . 1]" 1
743 1 21 ILE HA 1 24 LEU QD 5.500 . 6.000 1.856 1.764 2.043 0.036 8 0 "[ . 1]" 1
744 1 21 ILE HA 1 61 THR MG 5.500 . 6.000 4.481 4.366 4.651 . 0 0 "[ . 1]" 1
745 1 20 THR MG 1 21 ILE HA 4.500 . 5.000 3.295 3.039 3.549 . 0 0 "[ . 1]" 1
746 1 21 ILE HB 1 61 THR MG 4.500 . 5.000 2.842 2.647 3.066 . 0 0 "[ . 1]" 1
747 1 18 LYS HA 1 21 ILE HB 3.500 . 4.000 2.871 2.636 3.005 . 0 0 "[ . 1]" 1
748 1 21 ILE MG 1 62 VAL HA 3.500 . 4.000 3.696 3.599 3.810 . 0 0 "[ . 1]" 1
749 1 21 ILE MG 1 62 VAL QG 3.500 . 4.000 1.818 1.772 1.891 0.028 3 0 "[ . 1]" 1
750 1 21 ILE MG 1 61 THR MG 3.500 . 4.000 1.809 1.742 1.922 0.058 8 0 "[ . 1]" 1
751 1 18 LYS HA 1 21 ILE MG 4.500 . 5.000 4.119 3.798 4.288 . 0 0 "[ . 1]" 1
752 1 18 LYS QG 1 21 ILE MG 4.500 . 5.000 4.433 3.961 4.819 . 0 0 "[ . 1]" 1
753 1 21 ILE QG 1 62 VAL QG 3.500 . 4.000 3.227 3.040 3.351 . 0 0 "[ . 1]" 1
754 1 21 ILE MD 1 21 ILE MG 3.500 . 4.000 2.615 2.504 2.746 . 0 0 "[ . 1]" 1
755 1 18 LYS HA 1 21 ILE MD 3.500 . 4.000 1.936 1.790 2.248 0.010 10 0 "[ . 1]" 1
756 1 4 LEU HA 1 5 ILE HB 5.500 . 6.000 4.747 4.068 5.339 . 0 0 "[ . 1]" 1
757 1 4 LEU QB 1 4 LEU HG 2.500 . 3.000 2.435 2.198 2.547 . 0 0 "[ . 1]" 1
758 1 59 LYS HA 1 62 VAL HB 4.500 . 5.000 3.587 3.276 3.854 . 0 0 "[ . 1]" 1
759 1 59 LYS HA 1 62 VAL QG 4.500 . 5.000 3.518 3.344 3.782 . 0 0 "[ . 1]" 1
760 1 39 CYS HA 1 42 VAL HB 4.500 . 5.000 3.046 2.445 4.165 . 0 0 "[ . 1]" 1
761 1 17 LEU QD 1 42 VAL MG1 4.500 . 5.000 3.058 2.247 4.347 . 0 0 "[ . 1]" 1
762 1 20 THR MG 1 42 VAL MG1 4.500 . 5.000 3.368 2.813 4.409 . 0 0 "[ . 1]" 1
763 1 17 LEU QD 1 42 VAL MG2 4.500 . 5.000 3.703 2.690 4.300 . 0 0 "[ . 1]" 1
764 1 20 THR MG 1 42 VAL MG2 4.500 . 5.000 2.763 2.334 3.627 . 0 0 "[ . 1]" 1
765 1 42 VAL QG 1 43 TYR HA 4.500 . 5.000 3.107 2.848 3.338 . 0 0 "[ . 1]" 1
766 1 39 CYS HA 1 42 VAL QG 3.500 . 4.000 2.983 2.209 3.885 . 0 0 "[ . 1]" 1
767 1 16 GLU HA 1 16 GLU QG 3.500 . 4.000 2.260 1.936 2.598 . 0 0 "[ . 1]" 1
768 1 68 LEU QB 1 68 LEU HG 2.500 . 3.000 2.423 2.199 2.545 . 0 0 "[ . 1]" 1
769 1 20 THR MG 1 24 LEU QB 4.500 . 5.000 4.593 4.108 4.847 . 0 0 "[ . 1]" 1
770 1 20 THR MG 1 24 LEU HG 4.500 . 5.000 3.545 3.116 4.766 . 0 0 "[ . 1]" 1
771 1 24 LEU QD 1 27 SER QB 5.500 . 6.000 4.709 4.110 5.538 . 0 0 "[ . 1]" 1
772 1 55 LYS QB 1 55 LYS QD 2.500 . 3.000 2.083 1.943 2.346 . 0 0 "[ . 1]" 1
773 1 21 ILE MD 1 61 THR MG 3.500 . 4.000 1.877 1.786 2.141 0.014 9 0 "[ . 1]" 1
774 1 18 LYS HA 1 61 THR MG 4.500 . 5.000 3.609 3.467 3.820 . 0 0 "[ . 1]" 1
775 1 18 LYS QB 1 61 THR MG 4.500 . 5.000 4.982 4.943 5.028 0.028 1 0 "[ . 1]" 1
776 1 49 TYR QB 1 51 LEU QD 4.500 . 5.000 2.103 1.801 2.425 . 0 0 "[ . 1]" 1
777 1 12 PRO QD 1 49 TYR QD 5.500 . 6.000 2.997 2.451 3.409 . 0 0 "[ . 1]" 1
778 1 30 LEU QD 1 66 ILE HA 5.500 . 6.000 3.476 2.777 3.922 . 0 0 "[ . 1]" 1
779 1 66 ILE MD 1 66 ILE MG 3.500 . 4.000 1.842 1.794 1.959 0.006 2 0 "[ . 1]" 1
780 1 66 ILE MG 1 70 HIS HA 4.500 . 5.000 3.796 3.010 4.997 . 0 0 "[ . 1]" 1
781 1 66 ILE MG 1 67 SER HA 5.500 . 6.000 3.496 3.360 3.585 . 0 0 "[ . 1]" 1
782 1 66 ILE MG 1 67 SER QB 4.500 . 5.000 3.959 3.444 4.393 . 0 0 "[ . 1]" 1
783 1 14 ASP HA 1 17 LEU HG 5.500 . 6.000 3.980 2.943 4.751 . 0 0 "[ . 1]" 1
784 1 17 LEU QD 1 58 ILE MD 3.500 . 4.000 1.892 1.816 2.009 . 0 0 "[ . 1]" 1
785 1 17 LEU QD 1 20 THR HB 5.500 . 6.000 3.588 3.351 3.749 . 0 0 "[ . 1]" 1
786 1 17 LEU QD 1 20 THR MG 3.500 . 4.000 3.873 3.701 4.017 0.017 10 0 "[ . 1]" 1
787 1 23 LYS HA 1 23 LYS QE 5.500 . 6.000 3.719 2.251 4.919 . 0 0 "[ . 1]" 1
788 1 26 ALA HA 1 27 SER HA 5.500 . 6.000 4.609 4.550 4.755 . 0 0 "[ . 1]" 1
789 1 26 ALA MB 1 27 SER HA 5.500 . 6.000 4.091 3.978 4.213 . 0 0 "[ . 1]" 1
790 1 26 ALA MB 1 27 SER QB 5.500 . 6.000 3.728 3.402 4.595 . 0 0 "[ . 1]" 1
791 1 18 LYS QB 1 21 ILE MG 5.500 . 6.000 5.541 5.341 5.691 . 0 0 "[ . 1]" 1
792 1 30 LEU QD 1 38 ILE MD 4.500 . 5.000 4.878 4.706 5.032 0.032 5 0 "[ . 1]" 1
793 1 28 ALA MB 1 38 ILE MD 4.500 . 5.000 4.675 4.002 4.952 . 0 0 "[ . 1]" 1
794 1 38 ILE MD 1 42 VAL MG2 4.500 . 5.000 3.651 3.142 5.000 0.000 9 0 "[ . 1]" 1
795 1 33 VAL HB 1 38 ILE MD 5.500 . 6.000 4.204 2.714 4.627 . 0 0 "[ . 1]" 1
796 1 52 THR MG 1 53 GLU HA 4.500 . 5.000 4.947 4.675 5.017 0.017 2 0 "[ . 1]" 1
797 1 22 LYS HA 1 25 LEU QB 4.500 . 5.000 3.912 2.657 4.784 . 0 0 "[ . 1]" 1
798 1 22 LYS HA 1 25 LEU HG 4.500 . 5.000 3.436 2.700 4.580 . 0 0 "[ . 1]" 1
799 1 22 LYS HA 1 25 LEU QD 4.500 . 5.000 2.258 1.788 3.145 0.012 10 0 "[ . 1]" 1
800 1 17 LEU QD 1 20 THR HA 5.500 . 6.000 5.984 5.835 6.033 0.033 4 0 "[ . 1]" 1
801 1 20 THR MG 1 21 ILE QG 4.500 . 5.000 2.845 2.646 3.124 . 0 0 "[ . 1]" 1
802 1 20 THR MG 1 45 ASN QB 4.500 . 5.000 1.993 1.789 2.161 0.011 2 0 "[ . 1]" 1
803 1 30 LEU HA 1 33 VAL HB 4.500 . 5.000 3.206 2.434 4.788 . 0 0 "[ . 1]" 1
804 1 28 ALA HA 1 33 VAL QG 5.500 . 6.000 4.604 4.011 5.663 . 0 0 "[ . 1]" 1
805 1 59 LYS QB 1 59 LYS QD 2.500 . 3.000 2.227 2.099 2.396 . 0 0 "[ . 1]" 1
806 1 66 ILE MG 1 70 HIS QB 4.500 . 5.000 3.433 2.437 4.070 . 0 0 "[ . 1]" 1
807 1 67 SER HA 1 70 HIS QB 4.500 . 5.000 3.911 3.193 4.475 . 0 0 "[ . 1]" 1
808 1 67 SER QB 1 70 HIS QB 5.500 . 6.000 5.496 5.042 5.987 . 0 0 "[ . 1]" 1
809 1 30 LEU QD 1 70 HIS HD2 5.500 . 6.000 5.738 3.661 6.016 0.016 8 0 "[ . 1]" 1
810 1 68 LEU HA 1 70 HIS HD2 5.500 . 6.000 4.199 3.367 6.019 0.019 2 0 "[ . 1]" 1
811 1 68 LEU QD 1 70 HIS HD2 5.500 . 6.000 5.231 4.223 5.935 . 0 0 "[ . 1]" 1
812 1 66 ILE MG 1 70 HIS HD2 5.500 . 6.000 5.490 3.740 5.984 . 0 0 "[ . 1]" 1
813 1 69 GLU HA 1 70 HIS HD2 5.500 . 6.000 4.060 3.504 4.419 . 0 0 "[ . 1]" 1
814 1 69 GLU QB 1 70 HIS HD2 5.500 . 6.000 4.977 2.127 5.530 . 0 0 "[ . 1]" 1
815 1 69 GLU QG 1 70 HIS HD2 5.500 . 6.000 5.503 4.159 5.964 . 0 0 "[ . 1]" 1
816 1 70 HIS HA 1 70 HIS HD2 4.500 . 5.000 4.352 4.171 4.480 . 0 0 "[ . 1]" 1
817 1 70 HIS QB 1 70 HIS HD2 3.500 . 4.000 2.821 2.764 2.913 . 0 0 "[ . 1]" 1
818 1 69 GLU HA 1 70 HIS HE1 5.500 . 6.000 5.941 5.746 6.011 0.011 5 0 "[ . 1]" 1
819 1 13 THR MG 1 15 GLU QB 5.500 . 6.000 3.520 1.981 4.239 . 0 0 "[ . 1]" 1
820 1 29 ASN QB 1 32 GLU QB 4.500 . 5.000 1.842 1.771 2.188 0.029 6 0 "[ . 1]" 1
821 1 29 ASN QB 1 32 GLU QG 4.500 . 5.000 3.320 2.171 3.954 . 0 0 "[ . 1]" 1
822 1 42 VAL MG2 1 43 TYR QD 5.500 . 6.000 4.559 3.488 5.068 . 0 0 "[ . 1]" 1
823 1 54 ARG HA 1 54 ARG QD 4.500 . 5.000 3.224 2.019 3.991 . 0 0 "[ . 1]" 1
824 1 42 VAL MG2 1 46 TYR QD 5.500 . 6.000 3.615 1.869 4.474 . 0 0 "[ . 1]" 1
825 1 45 ASN HA 1 46 TYR QD 5.500 . 6.000 4.991 4.761 5.122 . 0 0 "[ . 1]" 1
826 1 12 PRO QG 1 46 TYR QE 5.500 . 6.000 2.349 2.021 2.770 . 0 0 "[ . 1]" 1
827 1 32 GLU HA 1 32 GLU QG 3.500 . 4.000 2.171 1.932 2.589 . 0 0 "[ . 1]" 1
828 1 33 VAL QG 1 34 THR HA 5.500 . 6.000 3.585 3.214 3.856 . 0 0 "[ . 1]" 1
829 1 47 PRO HA 1 48 THR MG 5.500 . 6.000 5.122 4.477 5.927 . 0 0 "[ . 1]" 1
830 1 47 PRO QG 1 48 THR MG 4.500 . 5.000 3.162 2.186 4.117 . 0 0 "[ . 1]" 1
831 1 47 PRO HA 1 47 PRO QG 3.500 . 4.000 3.518 3.515 3.522 . 0 0 "[ . 1]" 1
832 1 2 GLU QB 1 3 PRO QD 4.500 . 5.000 1.802 1.767 1.889 0.033 1 0 "[ . 1]" 1
833 1 2 GLU QG 1 3 PRO QD 5.500 . 6.000 3.630 3.544 3.690 . 0 0 "[ . 1]" 1
834 1 36 LYS QB 1 36 LYS QD 2.500 . 3.000 2.033 1.907 2.182 . 0 0 "[ . 1]" 1
835 1 18 LYS QD 1 21 ILE MG 4.500 . 5.000 4.552 3.828 5.003 0.003 5 0 "[ . 1]" 1
836 1 18 LYS QD 1 61 THR MG 4.500 . 5.000 4.146 3.325 4.972 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 101
_Distance_constraint_stats_list.Viol_total 23.266
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0108
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 THR 0.007 0.007 7 0 "[ . 1]"
1 14 ASP 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.055 0.025 2 0 "[ . 1]"
1 16 GLU 0.000 0.000 . 0 "[ . 1]"
1 17 LEU 0.046 0.035 6 0 "[ . 1]"
1 18 LYS 0.141 0.036 1 0 "[ . 1]"
1 19 GLU 0.100 0.040 8 0 "[ . 1]"
1 20 THR 0.264 0.042 4 0 "[ . 1]"
1 21 ILE 0.039 0.035 6 0 "[ . 1]"
1 22 LYS 0.157 0.036 1 0 "[ . 1]"
1 23 LYS 0.046 0.040 8 0 "[ . 1]"
1 24 LEU 0.264 0.042 4 0 "[ . 1]"
1 25 LEU 0.000 0.000 . 0 "[ . 1]"
1 26 ALA 0.016 0.009 10 0 "[ . 1]"
1 34 THR 0.030 0.017 8 0 "[ . 1]"
1 35 MET 0.027 0.027 4 0 "[ . 1]"
1 36 LYS 0.000 0.000 . 0 "[ . 1]"
1 37 GLN 0.046 0.041 8 0 "[ . 1]"
1 38 ILE 0.071 0.034 4 0 "[ . 1]"
1 39 CYS 0.027 0.027 4 0 "[ . 1]"
1 40 LYS 0.000 0.000 . 0 "[ . 1]"
1 41 LYS 0.276 0.048 3 0 "[ . 1]"
1 42 VAL 0.041 0.034 4 0 "[ . 1]"
1 43 TYR 0.000 0.000 . 0 "[ . 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 ASN 0.230 0.048 3 0 "[ . 1]"
1 46 TYR 0.000 0.000 . 0 "[ . 1]"
1 52 THR 0.504 0.071 6 0 "[ . 1]"
1 53 GLU 0.320 0.069 9 0 "[ . 1]"
1 54 ARG 0.000 0.000 . 0 "[ . 1]"
1 55 LYS 0.151 0.035 5 0 "[ . 1]"
1 56 ASP 0.518 0.071 6 0 "[ . 1]"
1 57 PHE 0.320 0.069 9 0 "[ . 1]"
1 58 ILE 0.162 0.038 2 0 "[ . 1]"
1 59 LYS 0.157 0.035 5 0 "[ . 1]"
1 60 THR 0.014 0.009 3 0 "[ . 1]"
1 61 THR 0.033 0.016 8 0 "[ . 1]"
1 62 VAL 0.162 0.038 2 0 "[ . 1]"
1 63 LYS 0.203 0.029 10 0 "[ . 1]"
1 64 GLU 0.000 0.000 . 0 "[ . 1]"
1 65 LEU 0.033 0.016 8 0 "[ . 1]"
1 66 ILE 0.000 0.000 . 0 "[ . 1]"
1 67 SER 0.196 0.029 10 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 THR O 1 17 LEU H 2.150 . 2.500 2.235 2.024 2.377 . 0 0 "[ . 1]" 2
2 1 13 THR O 1 17 LEU N 2.900 2.500 3.300 3.173 2.986 3.307 0.007 7 0 "[ . 1]" 2
3 1 14 ASP O 1 18 LYS H 2.150 . 2.500 2.057 1.946 2.297 . 0 0 "[ . 1]" 2
4 1 14 ASP O 1 18 LYS N 2.900 2.500 3.300 2.994 2.854 3.276 . 0 0 "[ . 1]" 2
5 1 15 GLU O 1 19 GLU H 2.150 . 2.500 2.291 1.990 2.416 . 0 0 "[ . 1]" 2
6 1 15 GLU O 1 19 GLU N 2.900 2.500 3.300 3.223 2.952 3.325 0.025 2 0 "[ . 1]" 2
7 1 16 GLU O 1 20 THR H 2.150 . 2.500 2.185 2.029 2.311 . 0 0 "[ . 1]" 2
8 1 16 GLU O 1 20 THR N 2.900 2.500 3.300 3.142 2.995 3.278 . 0 0 "[ . 1]" 2
9 1 17 LEU O 1 21 ILE H 2.150 . 2.500 2.262 2.061 2.390 . 0 0 "[ . 1]" 2
10 1 17 LEU O 1 21 ILE N 2.900 2.500 3.300 3.221 3.035 3.335 0.035 6 0 "[ . 1]" 2
11 1 18 LYS O 1 22 LYS H 2.150 . 2.500 1.820 1.764 1.924 0.036 1 0 "[ . 1]" 2
12 1 18 LYS O 1 22 LYS N 2.900 2.500 3.300 2.787 2.727 2.892 . 0 0 "[ . 1]" 2
13 1 19 GLU O 1 23 LYS H 2.150 . 2.500 2.341 2.101 2.540 0.040 8 0 "[ . 1]" 2
14 1 19 GLU O 1 23 LYS N 2.900 2.500 3.300 3.131 2.949 3.305 0.005 7 0 "[ . 1]" 2
15 1 20 THR O 1 24 LEU H 2.150 . 2.500 2.493 2.342 2.542 0.042 4 0 "[ . 1]" 2
16 1 20 THR O 1 24 LEU N 2.900 2.500 3.300 3.291 3.248 3.341 0.041 6 0 "[ . 1]" 2
17 1 21 ILE O 1 25 LEU H 2.150 . 2.500 2.299 1.878 2.462 . 0 0 "[ . 1]" 2
18 1 21 ILE O 1 25 LEU N 2.900 2.500 3.300 3.151 2.822 3.257 . 0 0 "[ . 1]" 2
19 1 22 LYS O 1 26 ALA H 2.150 . 2.500 2.427 2.191 2.507 0.007 7 0 "[ . 1]" 2
20 1 22 LYS O 1 26 ALA N 2.900 2.500 3.300 3.256 3.120 3.309 0.009 10 0 "[ . 1]" 2
21 1 34 THR O 1 38 ILE H 2.150 . 2.500 2.251 1.844 2.432 . 0 0 "[ . 1]" 2
22 1 34 THR O 1 38 ILE N 2.900 2.500 3.300 3.196 2.813 3.317 0.017 8 0 "[ . 1]" 2
23 1 35 MET O 1 39 CYS H 2.150 . 2.500 1.929 1.773 2.252 0.027 4 0 "[ . 1]" 2
24 1 35 MET O 1 39 CYS N 2.900 2.500 3.300 2.820 2.621 3.218 . 0 0 "[ . 1]" 2
25 1 36 LYS O 1 40 LYS H 2.150 . 2.500 2.163 1.984 2.337 . 0 0 "[ . 1]" 2
26 1 36 LYS O 1 40 LYS N 2.900 2.500 3.300 3.078 2.880 3.247 . 0 0 "[ . 1]" 2
27 1 37 GLN O 1 41 LYS H 2.150 . 2.500 2.051 1.759 2.387 0.041 8 0 "[ . 1]" 2
28 1 37 GLN O 1 41 LYS N 2.900 2.500 3.300 2.981 2.695 3.305 0.005 2 0 "[ . 1]" 2
29 1 38 ILE O 1 42 VAL H 2.150 . 2.500 2.105 1.766 2.506 0.034 4 0 "[ . 1]" 2
30 1 38 ILE O 1 42 VAL N 2.900 2.500 3.300 2.961 2.666 3.274 . 0 0 "[ . 1]" 2
31 1 39 CYS O 1 43 TYR H 2.150 . 2.500 2.269 2.048 2.421 . 0 0 "[ . 1]" 2
32 1 39 CYS O 1 43 TYR N 2.900 2.500 3.300 3.179 3.005 3.297 . 0 0 "[ . 1]" 2
33 1 40 LYS O 1 44 GLU H 2.150 . 2.500 2.206 1.978 2.359 . 0 0 "[ . 1]" 2
34 1 40 LYS O 1 44 GLU N 2.900 2.500 3.300 3.127 2.900 3.274 . 0 0 "[ . 1]" 2
35 1 41 LYS O 1 45 ASN H 2.150 . 2.500 2.443 2.384 2.484 . 0 0 "[ . 1]" 2
36 1 41 LYS O 1 45 ASN N 2.900 2.500 3.300 3.319 3.260 3.348 0.048 3 0 "[ . 1]" 2
37 1 42 VAL O 1 46 TYR H 2.150 . 2.500 2.191 2.029 2.263 . 0 0 "[ . 1]" 2
38 1 42 VAL O 1 46 TYR N 2.900 2.500 3.300 2.912 2.779 2.996 . 0 0 "[ . 1]" 2
39 1 52 THR O 1 56 ASP H 2.150 . 2.500 2.398 2.368 2.458 . 0 0 "[ . 1]" 2
40 1 52 THR O 1 56 ASP N 2.900 2.500 3.300 3.350 3.337 3.371 0.071 6 0 "[ . 1]" 2
41 1 53 GLU O 1 57 PHE H 2.150 . 2.500 2.445 2.390 2.478 . 0 0 "[ . 1]" 2
42 1 53 GLU O 1 57 PHE N 2.900 2.500 3.300 3.332 3.300 3.369 0.069 9 0 "[ . 1]" 2
43 1 54 ARG O 1 58 ILE H 2.150 . 2.500 2.091 1.829 2.494 . 0 0 "[ . 1]" 2
44 1 54 ARG O 1 58 ILE N 2.900 2.500 3.300 2.958 2.745 3.239 . 0 0 "[ . 1]" 2
45 1 55 LYS O 1 59 LYS H 2.150 . 2.500 2.430 2.373 2.507 0.007 2 0 "[ . 1]" 2
46 1 55 LYS O 1 59 LYS N 2.900 2.500 3.300 3.301 3.223 3.335 0.035 5 0 "[ . 1]" 2
47 1 56 ASP O 1 60 THR H 2.150 . 2.500 2.290 2.111 2.400 . 0 0 "[ . 1]" 2
48 1 56 ASP O 1 60 THR N 2.900 2.500 3.300 3.209 3.052 3.309 0.009 3 0 "[ . 1]" 2
49 1 57 PHE O 1 61 THR H 2.150 . 2.500 2.051 1.812 2.293 . 0 0 "[ . 1]" 2
50 1 57 PHE O 1 61 THR N 2.900 2.500 3.300 2.788 2.620 3.067 . 0 0 "[ . 1]" 2
51 1 58 ILE O 1 62 VAL H 2.150 . 2.500 2.427 2.371 2.468 . 0 0 "[ . 1]" 2
52 1 58 ILE O 1 62 VAL N 2.900 2.500 3.300 3.313 3.282 3.338 0.038 2 0 "[ . 1]" 2
53 1 59 LYS O 1 63 LYS H 2.150 . 2.500 2.112 1.876 2.354 . 0 0 "[ . 1]" 2
54 1 59 LYS O 1 63 LYS N 2.900 2.500 3.300 3.070 2.835 3.307 0.007 2 0 "[ . 1]" 2
55 1 60 THR O 1 64 GLU H 2.150 . 2.500 2.054 1.815 2.340 . 0 0 "[ . 1]" 2
56 1 60 THR O 1 64 GLU N 2.900 2.500 3.300 2.906 2.669 3.228 . 0 0 "[ . 1]" 2
57 1 61 THR O 1 65 LEU H 2.150 . 2.500 2.453 2.368 2.516 0.016 8 0 "[ . 1]" 2
58 1 61 THR O 1 65 LEU N 2.900 2.500 3.300 3.220 3.150 3.268 . 0 0 "[ . 1]" 2
59 1 62 VAL O 1 66 ILE H 2.150 . 2.500 1.995 1.839 2.306 . 0 0 "[ . 1]" 2
60 1 62 VAL O 1 66 ILE N 2.900 2.500 3.300 2.782 2.609 3.068 . 0 0 "[ . 1]" 2
61 1 63 LYS O 1 67 SER H 2.150 . 2.500 2.508 2.491 2.520 0.020 8 0 "[ . 1]" 2
62 1 63 LYS O 1 67 SER N 2.900 2.500 3.300 3.308 3.287 3.329 0.029 10 0 "[ . 1]" 2
stop_
save_
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