NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634523 |
6gvt   |
34290 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gvt
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 78
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 268.528
_Distance_constraint_stats_list.Viol_max 0.319
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0872
_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 DC 1.383 0.206 8 0 "[ . 1 . 2]"
1 2 DT 1.204 0.128 11 0 "[ . 1 . 2]"
1 3 DG 0.154 0.055 12 0 "[ . 1 . 2]"
1 4 DT 1.430 0.196 11 0 "[ . 1 . 2]"
1 5 DG 1.522 0.138 17 0 "[ . 1 . 2]"
1 6 DC 4.141 0.319 10 0 "[ . 1 . 2]"
1 7 DT 0.089 0.028 14 0 "[ . 1 . 2]"
1 9 DA 0.084 0.034 14 0 "[ . 1 . 2]"
2 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 SER 0.747 0.196 11 0 "[ . 1 . 2]"
2 56 ARG 1.126 0.138 17 0 "[ . 1 . 2]"
2 59 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 LYS 1.447 0.171 18 0 "[ . 1 . 2]"
2 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 TRP 3.687 0.238 3 0 "[ . 1 . 2]"
2 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 97 TYR 0.287 0.086 2 0 "[ . 1 . 2]"
2 100 ILE 1.423 0.206 8 0 "[ . 1 . 2]"
2 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 108 VAL 4.141 0.319 10 0 "[ . 1 . 2]"
2 111 LYS 0.084 0.034 14 0 "[ . 1 . 2]"
2 112 TYR 0.089 0.028 14 0 "[ . 1 . 2]"
3 1 ATP 1.293 0.171 18 0 "[ . 1 . 2]"
4 1 ATP 2.522 0.238 3 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 5 DG H4' 2 56 ARG QG . . 5.100 4.148 2.966 5.238 0.138 17 0 "[ . 1 . 2]" 1
2 1 5 DG H1' 2 56 ARG QG . . 4.600 2.931 2.238 4.264 . 0 0 "[ . 1 . 2]" 1
3 1 5 DG H4' 2 56 ARG QD . . 4.700 4.176 2.891 4.804 0.104 10 0 "[ . 1 . 2]" 1
4 1 5 DG Q2' 2 56 ARG QD . . 4.600 4.196 2.846 4.716 0.116 2 0 "[ . 1 . 2]" 1
5 1 5 DG H1' 2 56 ARG QD . . 4.500 3.603 2.155 4.550 0.050 14 0 "[ . 1 . 2]" 1
6 1 5 DG Q2' 2 59 TRP QB . . 4.500 3.298 2.827 3.725 . 0 0 "[ . 1 . 2]" 1
7 1 5 DG H1' 2 59 TRP QB . . 4.100 3.476 3.040 3.710 . 0 0 "[ . 1 . 2]" 1
8 1 6 DC Q5' 2 60 HIS HE1 . . 4.300 2.336 1.963 3.624 . 0 0 "[ . 1 . 2]" 1
9 1 6 DC H3' 2 60 HIS HE1 . . 4.400 3.266 2.478 4.391 . 0 0 "[ . 1 . 2]" 1
10 1 7 DT M7 2 63 LEU MD1 . . 5.200 2.257 2.005 2.454 . 0 0 "[ . 1 . 2]" 1
11 1 6 DC H4' 2 63 LEU MD1 . . 5.400 3.377 2.853 3.875 . 0 0 "[ . 1 . 2]" 1
12 1 6 DC H1' 2 63 LEU MD1 . . 5.600 3.690 3.334 4.050 . 0 0 "[ . 1 . 2]" 1
13 1 7 DT M7 2 67 LYS QE . . 5.600 3.311 2.975 3.841 . 0 0 "[ . 1 . 2]" 1
14 1 2 DT Q2' 2 92 TRP HH2 . . 4.000 2.318 2.197 2.504 . 0 0 "[ . 1 . 2]" 1
15 1 2 DT Q5' 2 92 TRP HH2 . . 5.400 5.009 4.233 5.528 0.128 11 0 "[ . 1 . 2]" 1
16 1 2 DT H1' 2 92 TRP HH2 . . 5.300 4.719 4.578 5.042 . 0 0 "[ . 1 . 2]" 1
17 1 2 DT Q2' 2 92 TRP HZ2 . . 4.000 2.204 2.105 2.396 . 0 0 "[ . 1 . 2]" 1
18 1 2 DT H3' 2 92 TRP HH2 . . 4.000 3.912 3.708 4.080 0.080 20 0 "[ . 1 . 2]" 1
19 1 2 DT H3' 2 92 TRP HZ2 . . 3.400 2.643 2.414 2.802 . 0 0 "[ . 1 . 2]" 1
20 1 3 DG H8 2 92 TRP HZ2 . . 4.000 2.633 2.366 2.886 . 0 0 "[ . 1 . 2]" 1
21 1 3 DG H8 2 92 TRP HE1 . . 4.500 4.254 3.967 4.449 . 0 0 "[ . 1 . 2]" 1
22 1 3 DG H8 2 92 TRP HH2 . . 4.500 2.898 2.686 3.114 . 0 0 "[ . 1 . 2]" 1
23 1 2 DT H1' 2 96 LYS QE . . 4.000 3.288 2.973 3.606 . 0 0 "[ . 1 . 2]" 1
24 1 2 DT Q2' 2 96 LYS QE . . 4.000 2.642 2.362 2.828 . 0 0 "[ . 1 . 2]" 1
25 1 4 DT M7 2 97 TYR HE1 . . 4.900 4.575 4.230 4.918 0.018 18 0 "[ . 1 . 2]" 1
26 1 4 DT M7 2 97 TYR HD1 . . 4.100 3.765 3.457 4.023 . 0 0 "[ . 1 . 2]" 1
27 1 4 DT M7 2 100 ILE MD . . 5.200 3.114 2.912 3.477 . 0 0 "[ . 1 . 2]" 1
28 1 2 DT Q2' 2 100 ILE MD . . 4.000 2.608 2.384 2.879 . 0 0 "[ . 1 . 2]" 1
29 1 2 DT Q5' 2 100 ILE MD . . 5.600 4.678 3.781 5.305 . 0 0 "[ . 1 . 2]" 1
30 1 2 DT H3' 2 100 ILE MD . . 4.900 4.690 4.462 4.924 0.024 17 0 "[ . 1 . 2]" 1
31 1 2 DT H6 2 100 ILE MD . . 4.800 3.042 2.907 3.226 . 0 0 "[ . 1 . 2]" 1
32 1 4 DT M7 2 100 ILE MG . . 3.600 2.017 1.886 2.277 . 0 0 "[ . 1 . 2]" 1
33 1 2 DT M7 2 100 ILE QG . . 5.100 2.358 2.202 2.784 . 0 0 "[ . 1 . 2]" 1
34 1 2 DT Q2' 2 100 ILE QG . . 5.200 4.509 4.273 4.840 . 0 0 "[ . 1 . 2]" 1
35 1 1 DC H3' 2 100 ILE QG . . 5.700 5.749 5.464 5.906 0.206 8 0 "[ . 1 . 2]" 1
36 1 2 DT H6 2 100 ILE QG . . 5.100 4.388 4.184 4.637 . 0 0 "[ . 1 . 2]" 1
37 1 4 DT H6 2 100 ILE MG . . 5.000 4.534 4.263 4.903 . 0 0 "[ . 1 . 2]" 1
38 1 4 DT M7 2 100 ILE HB . . 4.500 3.576 3.297 3.965 . 0 0 "[ . 1 . 2]" 1
39 1 7 DT M7 2 112 TYR QD . . 5.800 5.686 5.305 5.828 0.028 14 0 "[ . 1 . 2]" 1
40 1 7 DT M7 2 108 VAL MG1 . . 4.700 3.051 2.384 3.851 . 0 0 "[ . 1 . 2]" 1
41 1 6 DC H5 2 108 VAL MG2 . . 5.300 5.353 4.399 5.556 0.256 13 0 "[ . 1 . 2]" 1
42 1 6 DC H1' 2 108 VAL MG1 . . 4.600 4.071 3.386 4.919 0.319 10 0 "[ . 1 . 2]" 1
43 1 5 DG H1 2 101 THR MG . . 3.200 2.401 2.318 2.545 . 0 0 "[ . 1 . 2]" 1
44 1 5 DG H1 2 101 THR HG1 . . 3.000 2.621 2.566 2.700 . 0 0 "[ . 1 . 2]" 1
45 1 5 DG H1 2 101 THR HB . . 4.200 3.778 3.707 3.887 . 0 0 "[ . 1 . 2]" 1
46 1 5 DG H1 2 97 TYR QE . . 3.500 3.211 2.763 3.488 . 0 0 "[ . 1 . 2]" 1
47 1 5 DG H1 2 59 TRP HE3 . . 4.100 3.551 3.386 3.881 . 0 0 "[ . 1 . 2]" 1
48 1 4 DT M7 1 5 DG H1 . . 3.500 3.448 3.034 3.581 0.081 11 0 "[ . 1 . 2]" 1
49 1 4 DT H3 2 97 TYR HE1 . . 4.400 4.128 3.514 4.486 0.086 2 0 "[ . 1 . 2]" 1
50 1 4 DT H3 2 55 SER QB . . 3.000 1.798 1.546 2.041 . 0 0 "[ . 1 . 2]" 1
51 1 4 DT H3 2 55 SER H . . 4.700 4.607 4.396 4.896 0.196 11 0 "[ . 1 . 2]" 1
52 1 4 DT H3 2 55 SER HG . . 4.000 3.130 2.654 4.080 0.080 17 0 "[ . 1 . 2]" 1
53 1 3 DG Q2 2 85 LYS H . . 5.400 3.553 2.840 3.856 . 0 0 "[ . 1 . 2]" 1
54 1 3 DG H1 2 85 LYS QG . . 4.600 4.401 4.124 4.655 0.055 12 0 "[ . 1 . 2]" 1
55 1 3 DG H1 2 85 LYS QD . . 5.200 3.602 3.045 4.381 . 0 0 "[ . 1 . 2]" 1
56 1 3 DG H1 2 55 SER H . . 5.300 4.548 3.924 4.956 . 0 0 "[ . 1 . 2]" 1
57 1 3 DG Q2 2 55 SER H . . 4.100 3.223 2.826 3.577 . 0 0 "[ . 1 . 2]" 1
58 1 3 DG H1 2 86 ALA H . . 5.500 4.555 3.722 5.034 . 0 0 "[ . 1 . 2]" 1
59 2 85 LYS CA 4 1 ATP PG . . 7.000 4.172 4.038 4.347 . 0 0 "[ . 1 . 2]" 1
60 2 87 LYS CA 4 1 ATP PG . . 7.000 4.987 4.535 5.368 . 0 0 "[ . 1 . 2]" 1
61 2 87 LYS CB 4 1 ATP PG . . 7.000 4.613 4.242 5.157 . 0 0 "[ . 1 . 2]" 1
62 2 85 LYS CB 4 1 ATP PA . . 7.000 5.748 5.257 6.117 . 0 0 "[ . 1 . 2]" 1
63 2 87 LYS NZ 4 1 ATP PG . . 7.000 3.764 3.391 5.050 . 0 0 "[ . 1 . 2]" 1
64 2 85 LYS NZ 4 1 ATP PA . . 8.000 4.852 4.619 5.127 . 0 0 "[ . 1 . 2]" 1
65 2 85 LYS N 4 1 ATP PG . . 7.000 5.191 4.989 5.412 . 0 0 "[ . 1 . 2]" 1
66 2 92 TRP CE3 4 1 ATP PG . . 10.000 10.126 10.012 10.238 0.238 3 0 "[ . 1 . 2]" 1
67 2 85 LYS CA 4 1 ATP PB . . 8.000 5.120 4.840 5.503 . 0 0 "[ . 1 . 2]" 1
68 2 53 ASP N 3 1 ATP PG . . 7.000 5.533 5.377 5.666 . 0 0 "[ . 1 . 2]" 1
69 2 55 SER CA 3 1 ATP PB . . 8.000 7.250 6.974 7.783 . 0 0 "[ . 1 . 2]" 1
70 2 54 ARG CA 3 1 ATP PB . . 8.000 7.128 7.059 7.277 . 0 0 "[ . 1 . 2]" 1
71 2 85 LYS CB 3 1 ATP PG . . 8.000 7.218 6.883 7.470 . 0 0 "[ . 1 . 2]" 1
72 2 85 LYS CD 3 1 ATP PG . . 8.000 7.378 7.020 7.675 . 0 0 "[ . 1 . 2]" 1
73 2 85 LYS CA 3 1 ATP PG . . 8.000 8.032 7.688 8.171 0.171 18 0 "[ . 1 . 2]" 1
74 1 9 DA P 2 111 LYS NZ . . 8.000 7.192 5.335 8.034 0.034 14 0 "[ . 1 . 2]" 1
75 1 3 DG P 2 96 LYS NZ . . 8.000 6.367 5.396 7.431 . 0 0 "[ . 1 . 2]" 1
76 2 47 TYR CD2 3 1 ATP PG . . 8.000 7.464 7.082 7.786 . 0 0 "[ . 1 . 2]" 1
77 1 6 DC P 2 59 TRP CE2 . . 7.000 6.496 6.332 6.671 . 0 0 "[ . 1 . 2]" 1
78 1 3 DG P 2 92 TRP CE2 . . 7.000 4.969 4.647 5.295 . 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 2192
_Distance_constraint_stats_list.Viol_count 5155
_Distance_constraint_stats_list.Viol_total 5833.768
_Distance_constraint_stats_list.Viol_max 0.656
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0566
_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 1 DC 3.254 0.188 3 0 "[ . 1 . 2]"
1 2 DT 2.316 0.112 2 0 "[ . 1 . 2]"
1 3 DG 4.341 0.245 20 0 "[ . 1 . 2]"
1 4 DT 3.996 0.422 4 0 "[ . 1 . 2]"
1 5 DG 3.155 0.244 17 0 "[ . 1 . 2]"
1 6 DC 6.157 0.213 6 0 "[ . 1 . 2]"
1 7 DT 6.867 0.213 6 0 "[ . 1 . 2]"
1 8 DC 5.557 0.196 15 0 "[ . 1 . 2]"
1 9 DA 5.251 0.196 15 0 "[ . 1 . 2]"
2 1 THR 0.462 0.093 2 0 "[ . 1 . 2]"
2 2 VAL 0.247 0.088 13 0 "[ . 1 . 2]"
2 3 VAL 3.592 0.191 13 0 "[ . 1 . 2]"
2 4 GLU 3.931 0.272 10 0 "[ . 1 . 2]"
2 5 PHE 6.038 0.272 10 0 "[ . 1 . 2]"
2 6 GLU 4.268 0.191 13 0 "[ . 1 . 2]"
2 7 GLU 4.400 0.656 14 2 "[ - . 1 +. 2]"
2 8 LEU 9.163 0.203 18 0 "[ . 1 . 2]"
2 9 ARG 3.955 0.203 18 0 "[ . 1 . 2]"
2 10 LYS 6.546 0.457 18 0 "[ . 1 . 2]"
2 11 GLU 3.900 0.167 11 0 "[ . 1 . 2]"
2 12 LEU 16.361 0.226 18 0 "[ . 1 . 2]"
2 13 VAL 2.270 0.110 15 0 "[ . 1 . 2]"
2 14 LYS 10.155 0.409 18 0 "[ . 1 . 2]"
2 15 ARG 8.519 0.233 18 0 "[ . 1 . 2]"
2 16 ASP 3.972 0.146 4 0 "[ . 1 . 2]"
2 17 SER 1.646 0.176 10 0 "[ . 1 . 2]"
2 18 GLY 1.266 0.076 4 0 "[ . 1 . 2]"
2 19 LYS 5.430 0.176 10 0 "[ . 1 . 2]"
2 20 PRO 2.532 0.116 7 0 "[ . 1 . 2]"
2 21 VAL 5.724 0.297 12 0 "[ . 1 . 2]"
2 22 GLU 5.367 0.174 8 0 "[ . 1 . 2]"
2 23 LYS 8.171 0.136 17 0 "[ . 1 . 2]"
2 24 ILE 6.542 0.148 20 0 "[ . 1 . 2]"
2 25 LYS 14.013 0.174 8 0 "[ . 1 . 2]"
2 26 GLU 7.606 0.240 3 0 "[ . 1 . 2]"
2 27 GLU 2.716 0.076 16 0 "[ . 1 . 2]"
2 28 ILE 4.045 0.086 8 0 "[ . 1 . 2]"
2 29 CYS 2.373 0.240 3 0 "[ . 1 . 2]"
2 30 THR 0.662 0.180 8 0 "[ . 1 . 2]"
2 31 LYS 1.948 0.121 19 0 "[ . 1 . 2]"
2 32 SER 0.113 0.060 8 0 "[ . 1 . 2]"
2 37 ILE 2.694 0.125 2 0 "[ . 1 . 2]"
2 39 GLU 1.638 0.357 9 0 "[ . 1 . 2]"
2 40 ILE 3.149 0.197 15 0 "[ . 1 . 2]"
2 41 ILE 2.662 0.140 10 0 "[ . 1 . 2]"
2 42 CYS 0.465 0.064 3 0 "[ . 1 . 2]"
2 43 GLU 1.309 0.146 18 0 "[ . 1 . 2]"
2 44 ASN 2.278 0.298 5 0 "[ . 1 . 2]"
2 45 LYS 5.065 0.357 9 0 "[ . 1 . 2]"
2 46 THR 10.441 0.179 5 0 "[ . 1 . 2]"
2 47 TYR 5.556 0.304 1 0 "[ . 1 . 2]"
2 48 ALA 1.044 0.304 1 0 "[ . 1 . 2]"
2 49 ASP 3.250 0.213 9 0 "[ . 1 . 2]"
2 50 VAL 3.585 0.156 9 0 "[ . 1 . 2]"
2 51 ASN 2.020 0.116 4 0 "[ . 1 . 2]"
2 52 ILE 5.952 0.301 14 0 "[ . 1 . 2]"
2 53 ASP 3.619 0.115 6 0 "[ . 1 . 2]"
2 54 ARG 5.934 0.246 17 0 "[ . 1 . 2]"
2 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 ARG 3.096 0.189 17 0 "[ . 1 . 2]"
2 57 GLY 3.226 0.200 14 0 "[ . 1 . 2]"
2 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 TRP 12.056 0.179 4 0 "[ . 1 . 2]"
2 60 HIS 9.939 0.189 17 0 "[ . 1 . 2]"
2 61 VAL 2.978 0.143 1 0 "[ . 1 . 2]"
2 62 ILE 5.588 0.114 16 0 "[ . 1 . 2]"
2 63 LEU 1.128 0.093 12 0 "[ . 1 . 2]"
2 64 TYR 7.062 0.136 11 0 "[ . 1 . 2]"
2 65 LEU 6.777 0.136 11 0 "[ . 1 . 2]"
2 66 MET 3.180 0.225 12 0 "[ . 1 . 2]"
2 67 LYS 6.660 0.225 12 0 "[ . 1 . 2]"
2 68 HIS 3.241 0.123 3 0 "[ . 1 . 2]"
2 69 GLY 0.193 0.089 11 0 "[ . 1 . 2]"
2 70 VAL 2.975 0.159 11 0 "[ . 1 . 2]"
2 71 THR 3.467 0.146 4 0 "[ . 1 . 2]"
2 72 ASP 3.180 0.226 18 0 "[ . 1 . 2]"
2 73 PRO 5.148 0.223 12 0 "[ . 1 . 2]"
2 74 ASP 0.874 0.106 12 0 "[ . 1 . 2]"
2 75 LYS 4.001 0.310 3 0 "[ . 1 . 2]"
2 76 ILE 10.603 0.210 8 0 "[ . 1 . 2]"
2 77 LEU 5.971 0.223 12 0 "[ . 1 . 2]"
2 78 GLU 3.979 0.342 12 0 "[ . 1 . 2]"
2 79 LEU 1.880 0.140 3 0 "[ . 1 . 2]"
2 80 LEU 0.977 0.132 20 0 "[ . 1 . 2]"
2 81 PRO 0.909 0.150 9 0 "[ . 1 . 2]"
2 82 ARG 3.611 0.245 13 0 "[ . 1 . 2]"
2 83 ASP 2.889 0.179 5 0 "[ . 1 . 2]"
2 84 SER 1.929 0.146 13 0 "[ . 1 . 2]"
2 85 LYS 0.347 0.052 16 0 "[ . 1 . 2]"
2 86 ALA 5.344 0.275 10 0 "[ . 1 . 2]"
2 87 LYS 3.936 0.245 13 0 "[ . 1 . 2]"
2 88 GLU 0.235 0.138 20 0 "[ . 1 . 2]"
2 89 ASN 0.875 0.174 20 0 "[ . 1 . 2]"
2 92 TRP 4.148 0.148 13 0 "[ . 1 . 2]"
2 94 THR 4.231 0.174 20 0 "[ . 1 . 2]"
2 95 GLN 3.050 0.109 13 0 "[ . 1 . 2]"
2 96 LYS 3.697 0.107 17 0 "[ . 1 . 2]"
2 97 TYR 14.406 0.275 10 0 "[ . 1 . 2]"
2 98 PHE 14.863 0.210 8 0 "[ . 1 . 2]"
2 99 VAL 2.205 0.109 13 0 "[ . 1 . 2]"
2 100 ILE 4.998 0.170 11 0 "[ . 1 . 2]"
2 101 THR 1.187 0.073 20 0 "[ . 1 . 2]"
2 102 LEU 5.929 0.185 20 0 "[ . 1 . 2]"
2 103 SER 3.798 0.111 8 0 "[ . 1 . 2]"
2 104 LYS 5.125 0.225 20 0 "[ . 1 . 2]"
2 105 ALA 5.240 0.225 20 0 "[ . 1 . 2]"
2 106 TRP 18.450 0.274 1 0 "[ . 1 . 2]"
2 107 SER 1.732 0.131 18 0 "[ . 1 . 2]"
2 108 VAL 5.073 0.179 6 0 "[ . 1 . 2]"
2 109 VAL 7.669 0.251 8 0 "[ . 1 . 2]"
2 110 LYS 11.071 0.274 1 0 "[ . 1 . 2]"
2 111 LYS 6.978 0.218 6 0 "[ . 1 . 2]"
2 112 TYR 13.727 0.513 6 1 "[ .+ 1 . 2]"
2 113 LEU 5.994 0.191 13 0 "[ . 1 . 2]"
2 114 GLU 3.495 0.513 6 1 "[ .+ 1 . 2]"
2 115 ALA 0.191 0.191 13 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 2 54 ARG H 2 56 ARG H . . 5.380 4.235 4.098 4.375 . 0 0 "[ . 1 . 2]" 2
2 2 55 SER H 2 56 ARG H . . 3.990 2.662 2.604 2.741 . 0 0 "[ . 1 . 2]" 2
3 2 56 ARG H 2 57 GLY H . . 3.450 2.540 2.452 2.607 . 0 0 "[ . 1 . 2]" 2
4 2 55 SER QB 2 56 ARG H . . 5.040 2.749 2.392 3.484 . 0 0 "[ . 1 . 2]" 2
5 2 56 ARG H 2 56 ARG HD3 . . 4.760 3.768 2.340 4.810 0.050 13 0 "[ . 1 . 2]" 2
6 2 56 ARG H 2 59 TRP QB . . 4.920 4.484 4.396 4.635 . 0 0 "[ . 1 . 2]" 2
7 2 56 ARG H 2 56 ARG HD2 . . 4.760 3.789 2.537 4.610 . 0 0 "[ . 1 . 2]" 2
8 2 56 ARG H 2 57 GLY HA3 . . 5.500 4.818 4.730 4.871 . 0 0 "[ . 1 . 2]" 2
9 2 56 ARG H 2 56 ARG HB2 . . 3.460 2.356 2.190 2.618 . 0 0 "[ . 1 . 2]" 2
10 2 56 ARG H 2 56 ARG HB3 . . 3.870 3.571 3.508 3.641 . 0 0 "[ . 1 . 2]" 2
11 2 52 ILE MG 2 56 ARG H . . 4.950 4.475 4.293 4.669 . 0 0 "[ . 1 . 2]" 2
12 2 52 ILE MD 2 56 ARG H . . 5.050 4.557 4.306 4.718 . 0 0 "[ . 1 . 2]" 2
13 2 59 TRP HE1 2 60 HIS HA . . 5.300 5.223 5.115 5.301 0.001 4 0 "[ . 1 . 2]" 2
14 2 59 TRP HE1 2 108 VAL QG . . 4.580 4.209 3.952 4.374 . 0 0 "[ . 1 . 2]" 2
15 2 8 LEU HA 2 106 TRP HE1 . . 5.210 4.893 4.754 5.247 0.037 5 0 "[ . 1 . 2]" 2
16 2 106 TRP HE1 2 107 SER HA . . 5.500 5.556 5.450 5.631 0.131 18 0 "[ . 1 . 2]" 2
17 2 11 GLU HA 2 106 TRP HE1 . . 5.450 5.437 5.132 5.527 0.077 4 0 "[ . 1 . 2]" 2
18 2 12 LEU HA 2 106 TRP HE1 . . 5.140 4.980 4.589 5.129 . 0 0 "[ . 1 . 2]" 2
19 2 106 TRP HE1 2 110 LYS QE . . 3.980 2.942 2.572 4.003 0.023 1 0 "[ . 1 . 2]" 2
20 2 11 GLU QB 2 106 TRP HE1 . . 3.930 3.055 2.708 3.360 . 0 0 "[ . 1 . 2]" 2
21 2 106 TRP HE1 2 110 LYS QD . . 3.200 2.946 2.602 3.120 . 0 0 "[ . 1 . 2]" 2
22 2 8 LEU QD 2 106 TRP HE1 . . 3.460 3.454 3.334 3.531 0.071 5 0 "[ . 1 . 2]" 2
23 2 106 TRP HE1 2 110 LYS QB . . 4.100 4.039 3.862 4.162 0.062 19 0 "[ . 1 . 2]" 2
24 2 12 LEU H 2 106 TRP HE1 . . 5.340 5.274 4.876 5.422 0.082 18 0 "[ . 1 . 2]" 2
25 2 12 LEU QD 2 106 TRP HE1 . . 3.930 3.590 3.437 3.710 . 0 0 "[ . 1 . 2]" 2
26 2 98 PHE H 2 98 PHE HD1 . . 4.160 4.058 3.981 4.144 . 0 0 "[ . 1 . 2]" 2
27 2 98 PHE H 2 101 THR HB . . 5.280 5.255 5.186 5.298 0.018 20 0 "[ . 1 . 2]" 2
28 2 96 LYS HA 2 98 PHE H . . 5.500 4.541 4.464 4.615 . 0 0 "[ . 1 . 2]" 2
29 2 98 PHE H 2 99 VAL HA . . 5.500 5.330 5.302 5.355 . 0 0 "[ . 1 . 2]" 2
30 2 98 PHE H 2 98 PHE HB2 . . 3.530 2.811 2.778 2.834 . 0 0 "[ . 1 . 2]" 2
31 2 103 SER H 2 105 ALA H . . 4.340 4.104 4.029 4.277 . 0 0 "[ . 1 . 2]" 2
32 2 102 LEU QD 2 105 ALA H . . 5.100 4.580 4.394 4.968 . 0 0 "[ . 1 . 2]" 2
33 2 104 LYS H 2 105 ALA H . . 3.320 2.515 2.395 2.580 . 0 0 "[ . 1 . 2]" 2
34 2 59 TRP HZ3 2 105 ALA H . . 3.440 2.511 2.386 2.548 . 0 0 "[ . 1 . 2]" 2
35 2 102 LEU HA 2 105 ALA H . . 4.180 3.284 3.120 3.441 . 0 0 "[ . 1 . 2]" 2
36 2 105 ALA H 2 106 TRP HB3 . . 4.970 4.734 4.672 4.856 . 0 0 "[ . 1 . 2]" 2
37 2 104 LYS QB 2 105 ALA H . . 3.260 2.617 2.418 2.742 . 0 0 "[ . 1 . 2]" 2
38 2 105 ALA H 2 105 ALA MB . . 2.770 2.211 2.194 2.224 . 0 0 "[ . 1 . 2]" 2
39 2 62 ILE MG 2 105 ALA H . . 4.950 4.708 4.648 4.801 . 0 0 "[ . 1 . 2]" 2
40 2 17 SER H 2 70 VAL H . . 5.490 5.039 4.688 5.419 . 0 0 "[ . 1 . 2]" 2
41 2 66 MET HA 2 70 VAL H . . 3.520 3.367 3.176 3.527 0.007 8 0 "[ . 1 . 2]" 2
42 2 68 HIS HB2 2 70 VAL H . . 4.450 3.193 3.059 3.401 . 0 0 "[ . 1 . 2]" 2
43 2 70 VAL H 2 70 VAL HB . . 3.110 2.428 2.380 2.620 . 0 0 "[ . 1 . 2]" 2
44 2 65 LEU HB2 2 70 VAL H . . 4.750 4.628 4.434 4.820 0.070 12 0 "[ . 1 . 2]" 2
45 2 104 LYS QE 2 105 ALA H . . 5.500 5.142 4.309 5.725 0.225 20 0 "[ . 1 . 2]" 2
46 2 105 ALA H 2 108 VAL H . . 4.840 4.909 4.866 4.960 0.120 19 0 "[ . 1 . 2]" 2
47 2 53 ASP H 2 54 ARG H . . 4.660 4.683 4.666 4.691 0.031 4 0 "[ . 1 . 2]" 2
48 2 53 ASP H 2 57 GLY H . . 5.040 4.666 4.571 4.804 . 0 0 "[ . 1 . 2]" 2
49 2 52 ILE HA 2 53 ASP H . . 2.970 2.405 2.375 2.433 . 0 0 "[ . 1 . 2]" 2
50 2 53 ASP H 2 56 ARG HB2 . . 5.310 3.264 3.101 3.654 . 0 0 "[ . 1 . 2]" 2
51 2 52 ILE HB 2 53 ASP H . . 4.050 3.940 3.911 3.962 . 0 0 "[ . 1 . 2]" 2
52 2 50 VAL MG2 2 53 ASP H . . 5.390 5.261 5.214 5.337 . 0 0 "[ . 1 . 2]" 2
53 2 52 ILE MG 2 53 ASP H . . 3.540 3.338 3.271 3.414 . 0 0 "[ . 1 . 2]" 2
54 2 52 ILE MD 2 53 ASP H . . 3.580 3.673 3.643 3.695 0.115 6 0 "[ . 1 . 2]" 2
55 2 6 GLU H 2 8 LEU H . . 4.310 4.064 3.980 4.146 . 0 0 "[ . 1 . 2]" 2
56 2 8 LEU H 2 11 GLU H . . 5.190 4.941 4.818 5.039 . 0 0 "[ . 1 . 2]" 2
57 2 5 PHE HA 2 8 LEU H . . 3.550 3.469 3.355 3.564 0.014 5 0 "[ . 1 . 2]" 2
58 2 4 GLU HA 2 8 LEU H . . 4.640 4.146 3.914 4.293 . 0 0 "[ . 1 . 2]" 2
59 2 6 GLU HA 2 8 LEU H . . 4.640 4.512 4.399 4.640 0.000 5 0 "[ . 1 . 2]" 2
60 2 6 GLU QG 2 8 LEU H . . 5.470 5.344 5.233 5.447 . 0 0 "[ . 1 . 2]" 2
61 2 7 GLU HG2 2 8 LEU H . . 4.770 3.648 2.551 4.960 0.190 7 0 "[ . 1 . 2]" 2
62 2 7 GLU QB 2 8 LEU H . . 3.960 3.047 2.507 3.658 . 0 0 "[ . 1 . 2]" 2
63 2 8 LEU H 2 8 LEU HB2 . . 3.610 2.144 2.100 2.450 . 0 0 "[ . 1 . 2]" 2
64 2 8 LEU H 2 9 ARG HG3 . . 4.340 4.232 4.066 4.333 . 0 0 "[ . 1 . 2]" 2
65 2 8 LEU H 2 8 LEU QD . . 3.610 2.591 2.410 3.647 0.037 5 0 "[ . 1 . 2]" 2
66 2 47 TYR H 2 47 TYR HD2 . . 4.570 4.475 3.270 4.683 0.113 20 0 "[ . 1 . 2]" 2
67 2 46 THR HB 2 47 TYR H . . 4.040 4.064 3.497 4.169 0.129 6 0 "[ . 1 . 2]" 2
68 2 47 TYR H 2 48 ALA HA . . 4.810 4.476 4.372 5.114 0.304 1 0 "[ . 1 . 2]" 2
69 2 46 THR MG 2 47 TYR H . . 3.580 2.138 1.932 2.321 . 0 0 "[ . 1 . 2]" 2
70 2 40 ILE MD 2 47 TYR H . . 4.310 3.541 3.389 3.697 . 0 0 "[ . 1 . 2]" 2
71 2 46 THR H 2 47 TYR H . . 5.290 2.138 1.858 4.112 . 0 0 "[ . 1 . 2]" 2
72 2 40 ILE MG 2 47 TYR H . . 5.500 5.350 4.655 5.542 0.042 14 0 "[ . 1 . 2]" 2
73 2 21 VAL H 2 23 LYS H . . 4.230 4.282 4.248 4.356 0.126 12 0 "[ . 1 . 2]" 2
74 2 20 PRO HA 2 21 VAL H . . 2.760 2.430 2.359 2.459 . 0 0 "[ . 1 . 2]" 2
75 2 21 VAL H 2 22 GLU HA . . 5.500 5.277 5.252 5.351 . 0 0 "[ . 1 . 2]" 2
76 2 21 VAL H 2 75 LYS HA . . 5.500 5.001 4.371 5.534 0.034 15 0 "[ . 1 . 2]" 2
77 2 20 PRO HB2 2 21 VAL H . . 3.280 2.718 2.609 2.880 . 0 0 "[ . 1 . 2]" 2
78 2 21 VAL H 2 21 VAL HB . . 2.650 2.414 2.293 2.536 . 0 0 "[ . 1 . 2]" 2
79 2 59 TRP HZ3 2 104 LYS H . . 4.170 3.910 3.792 4.026 . 0 0 "[ . 1 . 2]" 2
80 2 104 LYS H 2 105 ALA HA . . 5.350 5.165 5.086 5.218 . 0 0 "[ . 1 . 2]" 2
81 2 104 LYS H 2 104 LYS QB . . 3.200 2.286 2.216 2.338 . 0 0 "[ . 1 . 2]" 2
82 2 104 LYS H 2 105 ALA MB . . 4.260 4.192 4.096 4.233 . 0 0 "[ . 1 . 2]" 2
83 2 29 CYS H 2 31 LYS H . . 4.210 4.117 4.031 4.233 0.023 17 0 "[ . 1 . 2]" 2
84 2 31 LYS H 2 32 SER H . . 4.540 4.221 2.476 4.600 0.060 8 0 "[ . 1 . 2]" 2
85 2 30 THR HA 2 31 LYS H . . 3.470 3.460 3.398 3.480 0.010 9 0 "[ . 1 . 2]" 2
86 2 29 CYS HA 2 31 LYS H . . 4.090 3.892 3.668 4.027 . 0 0 "[ . 1 . 2]" 2
87 2 28 ILE HA 2 31 LYS H . . 3.870 3.492 3.357 3.670 . 0 0 "[ . 1 . 2]" 2
88 2 29 CYS QB 2 31 LYS H . . 4.770 4.760 4.666 4.833 0.063 10 0 "[ . 1 . 2]" 2
89 2 31 LYS H 2 31 LYS HG2 . . 3.960 3.563 2.166 3.805 . 0 0 "[ . 1 . 2]" 2
90 2 31 LYS H 2 31 LYS HG3 . . 3.960 2.604 2.417 3.619 . 0 0 "[ . 1 . 2]" 2
91 2 30 THR MG 2 31 LYS H . . 3.700 2.620 2.521 2.925 . 0 0 "[ . 1 . 2]" 2
92 2 28 ILE MG 2 31 LYS H . . 4.670 4.335 4.092 4.495 . 0 0 "[ . 1 . 2]" 2
93 2 4 GLU H 2 5 PHE H . . 4.160 2.475 2.408 2.522 . 0 0 "[ . 1 . 2]" 2
94 2 5 PHE H 2 8 LEU H . . 5.500 4.811 4.685 4.915 . 0 0 "[ . 1 . 2]" 2
95 2 2 VAL HA 2 5 PHE H . . 4.130 3.330 3.164 3.514 . 0 0 "[ . 1 . 2]" 2
96 2 4 GLU QG 2 5 PHE H . . 4.080 4.084 3.914 4.352 0.272 10 0 "[ . 1 . 2]" 2
97 2 4 GLU QB 2 5 PHE H . . 3.590 2.688 2.586 2.817 . 0 0 "[ . 1 . 2]" 2
98 2 5 PHE H 2 6 GLU HB3 . . 4.870 4.559 4.466 4.693 . 0 0 "[ . 1 . 2]" 2
99 2 2 VAL QG 2 5 PHE H . . 5.170 4.242 4.101 4.413 . 0 0 "[ . 1 . 2]" 2
100 2 5 PHE H 2 99 VAL QG . . 4.590 2.997 2.841 3.129 . 0 0 "[ . 1 . 2]" 2
101 2 4 GLU H 2 7 GLU H . . 5.300 4.792 4.568 4.899 . 0 0 "[ . 1 . 2]" 2
102 2 1 THR HA 2 4 GLU H . . 4.720 3.495 3.335 3.591 . 0 0 "[ . 1 . 2]" 2
103 2 4 GLU H 2 4 GLU QG . . 3.350 2.271 2.022 2.748 . 0 0 "[ . 1 . 2]" 2
104 2 4 GLU H 2 4 GLU QB . . 3.140 2.440 2.343 2.485 . 0 0 "[ . 1 . 2]" 2
105 2 3 VAL HB 2 4 GLU H . . 4.080 3.311 2.836 4.133 0.053 9 0 "[ . 1 . 2]" 2
106 2 1 THR MG 2 4 GLU H . . 5.190 4.771 4.305 5.283 0.093 2 0 "[ . 1 . 2]" 2
107 2 22 GLU H 2 24 ILE H . . 4.070 4.102 4.044 4.142 0.072 17 0 "[ . 1 . 2]" 2
108 2 21 VAL H 2 24 ILE H . . 5.050 5.147 5.079 5.198 0.148 20 0 "[ . 1 . 2]" 2
109 2 23 LYS H 2 24 ILE H . . 2.940 2.361 2.316 2.395 . 0 0 "[ . 1 . 2]" 2
110 2 22 GLU HA 2 24 ILE H . . 4.520 4.005 3.956 4.062 . 0 0 "[ . 1 . 2]" 2
111 2 21 VAL HA 2 24 ILE H . . 3.270 3.148 3.037 3.284 0.014 16 0 "[ . 1 . 2]" 2
112 2 23 LYS QE 2 24 ILE H . . 5.270 5.235 5.180 5.273 0.003 2 0 "[ . 1 . 2]" 2
113 2 24 ILE H 2 26 GLU QB . . 4.580 4.577 4.476 4.657 0.077 8 0 "[ . 1 . 2]" 2
114 2 24 ILE H 2 24 ILE HB . . 2.810 2.249 2.211 2.282 . 0 0 "[ . 1 . 2]" 2
115 2 24 ILE H 2 25 LYS HD2 . . 4.550 3.576 3.430 3.660 . 0 0 "[ . 1 . 2]" 2
116 2 24 ILE H 2 24 ILE MD . . 2.800 2.146 2.050 2.187 . 0 0 "[ . 1 . 2]" 2
117 2 2 VAL H 2 3 VAL H . . 3.650 2.667 2.617 2.716 . 0 0 "[ . 1 . 2]" 2
118 2 3 VAL H 2 4 GLU H . . 3.540 2.512 2.385 2.595 . 0 0 "[ . 1 . 2]" 2
119 2 1 THR HA 2 3 VAL H . . 4.580 4.294 4.007 4.581 0.001 18 0 "[ . 1 . 2]" 2
120 2 3 VAL H 2 4 GLU HA . . 5.290 5.155 5.071 5.225 . 0 0 "[ . 1 . 2]" 2
121 2 3 VAL H 2 3 VAL HA . . 2.910 2.894 2.869 2.924 0.014 7 0 "[ . 1 . 2]" 2
122 2 3 VAL H 2 4 GLU QG . . 4.420 3.996 3.683 4.564 0.144 7 0 "[ . 1 . 2]" 2
123 2 2 VAL HB 2 3 VAL H . . 3.180 2.923 2.771 3.043 . 0 0 "[ . 1 . 2]" 2
124 2 3 VAL H 2 3 VAL HB . . 2.890 2.418 2.367 2.514 . 0 0 "[ . 1 . 2]" 2
125 2 2 VAL QG 2 3 VAL H . . 3.530 3.389 3.304 3.451 . 0 0 "[ . 1 . 2]" 2
126 2 95 GLN H 2 96 LYS H . . 3.690 2.540 2.500 2.589 . 0 0 "[ . 1 . 2]" 2
127 2 94 THR HB 2 95 GLN H . . 4.090 2.845 2.755 2.923 . 0 0 "[ . 1 . 2]" 2
128 2 95 GLN H 2 95 GLN QG . . 3.610 2.153 2.085 2.233 . 0 0 "[ . 1 . 2]" 2
129 2 95 GLN H 2 95 GLN QB . . 3.040 2.470 2.413 2.523 . 0 0 "[ . 1 . 2]" 2
130 2 94 THR MG 2 95 GLN H . . 4.230 3.667 3.583 3.862 . 0 0 "[ . 1 . 2]" 2
131 2 95 GLN H 2 96 LYS QB . . 5.360 4.305 4.269 4.360 . 0 0 "[ . 1 . 2]" 2
132 2 13 VAL H 2 16 ASP H . . 4.910 4.811 4.711 4.941 0.031 15 0 "[ . 1 . 2]" 2
133 2 16 ASP H 2 72 ASP H . . 5.450 4.715 4.298 4.994 . 0 0 "[ . 1 . 2]" 2
134 2 15 ARG H 2 16 ASP H . . 2.920 2.272 2.236 2.322 . 0 0 "[ . 1 . 2]" 2
135 2 15 ARG HA 2 16 ASP H . . 3.480 3.349 3.237 3.422 . 0 0 "[ . 1 . 2]" 2
136 2 14 LYS HA 2 16 ASP H . . 3.940 3.889 3.797 3.959 0.019 6 0 "[ . 1 . 2]" 2
137 2 13 VAL HA 2 16 ASP H . . 3.510 3.172 3.070 3.320 . 0 0 "[ . 1 . 2]" 2
138 2 12 LEU HA 2 16 ASP H . . 4.860 4.740 4.612 4.882 0.022 16 0 "[ . 1 . 2]" 2
139 2 16 ASP H 2 16 ASP QB . . 2.690 2.219 2.203 2.228 . 0 0 "[ . 1 . 2]" 2
140 2 15 ARG QB 2 16 ASP H . . 3.820 3.386 3.215 3.610 . 0 0 "[ . 1 . 2]" 2
141 2 15 ARG QG 2 16 ASP H . . 4.520 4.386 4.276 4.461 . 0 0 "[ . 1 . 2]" 2
142 2 13 VAL MG2 2 16 ASP H . . 5.270 4.928 4.840 5.053 . 0 0 "[ . 1 . 2]" 2
143 2 16 ASP H 2 71 THR MG . . 5.500 4.220 4.082 4.343 . 0 0 "[ . 1 . 2]" 2
144 2 47 TYR H 2 48 ALA H . . 3.570 1.774 1.643 2.599 . 0 0 "[ . 1 . 2]" 2
145 2 47 TYR HD2 2 48 ALA H . . 4.480 3.719 2.778 4.065 . 0 0 "[ . 1 . 2]" 2
146 2 2 VAL H 2 3 VAL HB . . 5.180 4.866 4.758 4.979 . 0 0 "[ . 1 . 2]" 2
147 2 17 SER H 2 19 LYS H . . 4.940 3.915 3.765 4.120 . 0 0 "[ . 1 . 2]" 2
148 2 16 ASP QB 2 19 LYS H . . 5.500 5.186 4.939 5.534 0.034 16 0 "[ . 1 . 2]" 2
149 2 19 LYS H 2 19 LYS QB . . 3.300 2.568 2.404 2.630 . 0 0 "[ . 1 . 2]" 2
150 2 18 GLY H 2 19 LYS H . . 3.130 2.583 2.501 2.658 . 0 0 "[ . 1 . 2]" 2
151 2 19 LYS H 2 70 VAL HA . . 5.100 5.108 4.683 5.259 0.159 11 0 "[ . 1 . 2]" 2
152 2 19 LYS H 2 19 LYS QE . . 4.140 3.506 3.240 3.812 . 0 0 "[ . 1 . 2]" 2
153 2 19 LYS H 2 19 LYS QG . . 3.590 2.010 1.863 2.252 . 0 0 "[ . 1 . 2]" 2
154 2 46 THR H 2 48 ALA H . . 5.500 3.096 2.978 3.310 . 0 0 "[ . 1 . 2]" 2
155 2 48 ALA H 2 51 ASN H . . 5.290 4.757 4.610 4.825 . 0 0 "[ . 1 . 2]" 2
156 2 48 ALA H 2 50 VAL H . . 4.620 4.526 4.411 4.617 . 0 0 "[ . 1 . 2]" 2
157 2 47 TYR HB3 2 48 ALA H . . 4.630 4.107 4.001 4.491 . 0 0 "[ . 1 . 2]" 2
158 2 47 TYR HB2 2 48 ALA H . . 4.630 4.070 3.104 4.199 . 0 0 "[ . 1 . 2]" 2
159 2 46 THR MG 2 48 ALA H . . 4.110 2.810 1.906 2.993 . 0 0 "[ . 1 . 2]" 2
160 2 2 VAL H 2 2 VAL HB . . 3.110 2.429 2.398 2.449 . 0 0 "[ . 1 . 2]" 2
161 2 1 THR MG 2 2 VAL H . . 3.800 3.299 2.017 3.888 0.088 13 0 "[ . 1 . 2]" 2
162 2 2 VAL H 2 2 VAL QG . . 2.920 2.085 2.032 2.159 . 0 0 "[ . 1 . 2]" 2
163 2 2 VAL H 2 99 VAL QG . . 5.500 5.013 4.460 5.506 0.006 5 0 "[ . 1 . 2]" 2
164 2 19 LYS H 2 20 PRO HD2 . . 4.950 4.866 4.849 4.890 . 0 0 "[ . 1 . 2]" 2
165 2 75 LYS H 2 77 LEU H . . 4.210 4.020 3.812 4.186 . 0 0 "[ . 1 . 2]" 2
166 2 75 LYS H 2 78 GLU H . . 5.500 4.601 4.491 4.748 . 0 0 "[ . 1 . 2]" 2
167 2 74 ASP HB3 2 75 LYS H . . 4.180 3.721 2.721 4.043 . 0 0 "[ . 1 . 2]" 2
168 2 75 LYS H 2 75 LYS HG2 . . 4.180 2.707 1.797 4.298 0.118 3 0 "[ . 1 . 2]" 2
169 2 52 ILE MG 2 54 ARG H . . 5.460 4.790 4.648 4.885 . 0 0 "[ . 1 . 2]" 2
170 2 60 HIS H 2 61 VAL H . . 3.970 2.701 2.632 2.738 . 0 0 "[ . 1 . 2]" 2
171 2 58 ASP HA 2 61 VAL H . . 4.800 3.560 3.506 3.626 . 0 0 "[ . 1 . 2]" 2
172 2 61 VAL H 2 61 VAL HB . . 3.390 2.508 2.485 2.538 . 0 0 "[ . 1 . 2]" 2
173 2 64 TYR H 2 65 LEU H . . 3.400 2.680 2.644 2.707 . 0 0 "[ . 1 . 2]" 2
174 2 64 TYR HE2 2 65 LEU H . . 5.390 5.452 5.402 5.498 0.108 13 0 "[ . 1 . 2]" 2
175 2 64 TYR QB 2 65 LEU H . . 3.480 2.512 2.479 2.574 . 0 0 "[ . 1 . 2]" 2
176 2 65 LEU H 2 65 LEU MD2 . . 3.140 3.067 3.032 3.109 . 0 0 "[ . 1 . 2]" 2
177 2 65 LEU H 2 65 LEU HB2 . . 3.760 3.609 3.599 3.617 . 0 0 "[ . 1 . 2]" 2
178 2 65 LEU H 2 65 LEU HG . . 2.920 1.966 1.913 2.014 . 0 0 "[ . 1 . 2]" 2
179 2 85 LYS QG 2 88 GLU H . . 5.500 4.514 4.253 4.695 . 0 0 "[ . 1 . 2]" 2
180 2 16 ASP HA 2 72 ASP H . . 4.800 3.516 3.129 4.290 . 0 0 "[ . 1 . 2]" 2
181 2 72 ASP H 2 73 PRO QD . . 5.010 4.082 3.387 4.326 . 0 0 "[ . 1 . 2]" 2
182 2 72 ASP H 2 72 ASP HB2 . . 3.480 2.764 2.500 3.341 . 0 0 "[ . 1 . 2]" 2
183 2 12 LEU HB3 2 72 ASP H . . 4.370 3.881 2.173 4.459 0.089 13 0 "[ . 1 . 2]" 2
184 2 13 VAL MG2 2 72 ASP H . . 4.860 4.541 4.160 4.788 . 0 0 "[ . 1 . 2]" 2
185 2 71 THR MG 2 72 ASP H . . 4.110 3.336 1.648 3.947 . 0 0 "[ . 1 . 2]" 2
186 2 12 LEU QD 2 72 ASP H . . 5.350 4.407 3.139 4.874 . 0 0 "[ . 1 . 2]" 2
187 2 54 ARG H 2 57 GLY H . . 5.300 4.798 4.665 4.921 . 0 0 "[ . 1 . 2]" 2
188 2 47 TYR HD2 2 54 ARG H . . 5.500 5.259 4.929 5.493 . 0 0 "[ . 1 . 2]" 2
189 2 54 ARG H 2 54 ARG HG3 . . 4.190 2.050 1.956 2.784 . 0 0 "[ . 1 . 2]" 2
190 2 54 ARG H 2 54 ARG HG2 . . 4.190 3.159 1.792 3.376 . 0 0 "[ . 1 . 2]" 2
191 2 108 VAL H 2 109 VAL H . . 3.120 2.550 2.499 2.619 . 0 0 "[ . 1 . 2]" 2
192 2 106 TRP HA 2 108 VAL H . . 4.650 4.245 4.076 4.382 . 0 0 "[ . 1 . 2]" 2
193 2 9 ARG H 2 11 GLU H . . 4.570 4.408 4.185 4.473 . 0 0 "[ . 1 . 2]" 2
194 2 108 VAL H 2 111 LYS H . . 5.010 4.881 4.825 4.933 . 0 0 "[ . 1 . 2]" 2
195 2 59 TRP HH2 2 108 VAL H . . 4.920 4.508 4.304 4.684 . 0 0 "[ . 1 . 2]" 2
196 2 8 LEU HA 2 11 GLU H . . 3.570 3.459 3.343 3.574 0.004 5 0 "[ . 1 . 2]" 2
197 2 105 ALA HA 2 108 VAL H . . 3.770 3.573 3.461 3.674 . 0 0 "[ . 1 . 2]" 2
198 2 106 TRP HB3 2 108 VAL H . . 5.070 5.071 4.988 5.138 0.068 10 0 "[ . 1 . 2]" 2
199 2 10 LYS QE 2 11 GLU H . . 4.730 2.907 2.614 3.263 . 0 0 "[ . 1 . 2]" 2
200 2 108 VAL H 2 108 VAL HB . . 2.900 2.414 2.294 2.610 . 0 0 "[ . 1 . 2]" 2
201 2 10 LYS QD 2 11 GLU H . . 3.710 3.323 3.091 3.422 . 0 0 "[ . 1 . 2]" 2
202 2 108 VAL H 2 108 VAL QG . . 2.850 2.215 2.016 2.357 . 0 0 "[ . 1 . 2]" 2
203 2 11 GLU H 2 12 LEU QD . . 4.960 4.585 4.551 4.663 . 0 0 "[ . 1 . 2]" 2
204 2 11 GLU H 2 11 GLU QB . . 2.720 2.232 2.204 2.251 . 0 0 "[ . 1 . 2]" 2
205 2 11 GLU H 2 12 LEU HB2 . . 5.330 4.556 4.488 4.635 . 0 0 "[ . 1 . 2]" 2
206 2 11 GLU H 2 14 LYS HG2 . . 5.500 4.879 4.809 5.098 . 0 0 "[ . 1 . 2]" 2
207 2 108 VAL H 2 110 LYS H . . 4.420 4.217 4.139 4.305 . 0 0 "[ . 1 . 2]" 2
208 2 106 TRP HA 2 110 LYS H . . 4.120 3.760 3.675 3.813 . 0 0 "[ . 1 . 2]" 2
209 2 110 LYS H 2 110 LYS QE . . 4.850 4.628 4.470 4.699 . 0 0 "[ . 1 . 2]" 2
210 2 110 LYS H 2 111 LYS QB . . 4.840 4.804 4.757 4.850 0.010 14 0 "[ . 1 . 2]" 2
211 2 110 LYS H 2 110 LYS QD . . 3.950 3.587 3.489 3.749 . 0 0 "[ . 1 . 2]" 2
212 2 110 LYS H 2 110 LYS HG3 . . 4.290 3.616 3.555 3.760 . 0 0 "[ . 1 . 2]" 2
213 2 110 LYS H 2 113 LEU QD . . 4.480 4.012 3.948 4.057 . 0 0 "[ . 1 . 2]" 2
214 2 110 LYS H 2 110 LYS QB . . 2.790 2.401 2.352 2.444 . 0 0 "[ . 1 . 2]" 2
215 2 106 TRP HZ3 2 110 LYS H . . 5.260 4.586 4.440 4.737 . 0 0 "[ . 1 . 2]" 2
216 2 106 TRP HB3 2 110 LYS H . . 5.490 5.554 5.498 5.606 0.116 12 0 "[ . 1 . 2]" 2
217 2 107 SER HA 2 109 VAL H . . 4.390 4.415 4.367 4.474 0.084 6 0 "[ . 1 . 2]" 2
218 2 106 TRP HA 2 109 VAL H . . 3.910 3.346 3.222 3.451 . 0 0 "[ . 1 . 2]" 2
219 2 108 VAL HB 2 109 VAL H . . 4.050 3.359 2.797 4.122 0.072 8 0 "[ . 1 . 2]" 2
220 2 109 VAL H 2 109 VAL HB . . 3.140 2.376 2.341 2.474 . 0 0 "[ . 1 . 2]" 2
221 2 108 VAL QG 2 109 VAL H . . 3.490 2.908 2.335 3.297 . 0 0 "[ . 1 . 2]" 2
222 2 97 TYR HA 2 100 ILE H . . 4.840 3.624 3.537 3.730 . 0 0 "[ . 1 . 2]" 2
223 2 96 LYS HA 2 100 ILE H . . 5.500 4.104 4.023 4.204 . 0 0 "[ . 1 . 2]" 2
224 2 99 VAL HB 2 100 ILE H . . 3.850 2.761 2.658 2.849 . 0 0 "[ . 1 . 2]" 2
225 2 100 ILE H 2 102 LEU QB . . 5.500 5.346 5.232 5.542 0.042 17 0 "[ . 1 . 2]" 2
226 2 99 VAL QG 2 100 ILE H . . 3.970 3.120 3.010 3.232 . 0 0 "[ . 1 . 2]" 2
227 2 96 LYS QB 2 100 ILE H . . 5.340 5.391 5.335 5.436 0.096 14 0 "[ . 1 . 2]" 2
228 2 96 LYS QG 2 100 ILE H . . 5.050 4.378 4.267 4.484 . 0 0 "[ . 1 . 2]" 2
229 2 12 LEU QD 2 14 LYS H . . 5.320 5.373 5.331 5.434 0.114 18 0 "[ . 1 . 2]" 2
230 2 12 LEU H 2 14 LYS H . . 4.280 3.969 3.939 4.010 . 0 0 "[ . 1 . 2]" 2
231 2 14 LYS H 2 16 ASP H . . 4.350 3.926 3.856 4.004 . 0 0 "[ . 1 . 2]" 2
232 2 14 LYS H 2 15 ARG HA . . 5.260 5.204 5.175 5.250 . 0 0 "[ . 1 . 2]" 2
233 2 10 LYS HA 2 14 LYS H . . 4.240 4.288 3.810 4.375 0.135 15 0 "[ . 1 . 2]" 2
234 2 12 LEU HA 2 14 LYS H . . 4.760 4.356 4.331 4.470 . 0 0 "[ . 1 . 2]" 2
235 2 14 LYS H 2 16 ASP QB . . 5.230 4.705 4.609 4.815 . 0 0 "[ . 1 . 2]" 2
236 2 13 VAL HB 2 14 LYS H . . 3.130 2.978 2.918 3.019 . 0 0 "[ . 1 . 2]" 2
237 2 14 LYS H 2 14 LYS QB . . 2.600 2.350 2.295 2.382 . 0 0 "[ . 1 . 2]" 2
238 2 10 LYS QD 2 14 LYS H . . 5.500 4.393 4.307 4.530 . 0 0 "[ . 1 . 2]" 2
239 2 14 LYS H 2 14 LYS HG2 . . 3.660 3.275 3.199 3.416 . 0 0 "[ . 1 . 2]" 2
240 2 13 VAL MG2 2 14 LYS H . . 4.110 4.123 4.114 4.133 0.023 7 0 "[ . 1 . 2]" 2
241 2 60 HIS H 2 62 ILE H . . 5.210 4.261 4.218 4.296 . 0 0 "[ . 1 . 2]" 2
242 2 58 ASP HA 2 62 ILE H . . 5.130 4.007 3.951 4.068 . 0 0 "[ . 1 . 2]" 2
243 2 62 ILE H 2 63 LEU HB2 . . 5.500 4.656 4.611 4.702 . 0 0 "[ . 1 . 2]" 2
244 2 59 TRP HA 2 62 ILE H . . 5.140 3.788 3.727 3.837 . 0 0 "[ . 1 . 2]" 2
245 2 60 HIS HA 2 62 ILE H . . 5.500 4.469 4.429 4.550 . 0 0 "[ . 1 . 2]" 2
246 2 61 VAL HB 2 62 ILE H . . 3.970 4.003 3.985 4.017 0.047 17 0 "[ . 1 . 2]" 2
247 2 62 ILE H 2 62 ILE HG12 . . 4.100 3.738 3.708 3.772 . 0 0 "[ . 1 . 2]" 2
248 2 62 ILE H 2 62 ILE HB . . 3.530 2.288 2.252 2.306 . 0 0 "[ . 1 . 2]" 2
249 2 62 ILE H 2 62 ILE HG13 . . 4.090 2.468 2.432 2.511 . 0 0 "[ . 1 . 2]" 2
250 2 37 ILE MD 2 62 ILE H . . 5.500 5.404 5.178 5.586 0.086 14 0 "[ . 1 . 2]" 2
251 2 58 ASP H 2 59 TRP H . . 4.560 2.408 2.373 2.480 . 0 0 "[ . 1 . 2]" 2
252 2 100 ILE H 2 100 ILE MG . . 3.610 3.675 3.661 3.689 0.079 4 0 "[ . 1 . 2]" 2
253 2 14 LYS H 2 14 LYS QE . . 5.050 4.869 4.741 5.049 . 0 0 "[ . 1 . 2]" 2
254 2 101 THR H 2 102 LEU H . . 3.400 2.717 2.669 2.753 . 0 0 "[ . 1 . 2]" 2
255 2 98 PHE HA 2 102 LEU H . . 4.180 3.909 3.763 3.995 . 0 0 "[ . 1 . 2]" 2
256 2 101 THR HB 2 102 LEU H . . 3.020 2.736 2.657 2.798 . 0 0 "[ . 1 . 2]" 2
257 2 102 LEU H 2 104 LYS QB . . 5.500 5.312 5.131 5.432 . 0 0 "[ . 1 . 2]" 2
258 2 102 LEU H 2 102 LEU QB . . 3.250 2.132 2.077 2.268 . 0 0 "[ . 1 . 2]" 2
259 2 102 LEU H 2 102 LEU QD . . 3.730 3.207 2.122 3.478 . 0 0 "[ . 1 . 2]" 2
260 2 13 VAL H 2 16 ASP QB . . 5.050 4.554 4.453 4.724 . 0 0 "[ . 1 . 2]" 2
261 2 12 LEU HG 2 13 VAL H . . 4.410 4.477 4.435 4.520 0.110 15 0 "[ . 1 . 2]" 2
262 2 13 VAL H 2 14 LYS H . . 3.150 2.530 2.456 2.588 . 0 0 "[ . 1 . 2]" 2
263 2 11 GLU H 2 13 VAL H . . 4.730 4.121 3.910 4.210 . 0 0 "[ . 1 . 2]" 2
264 2 13 VAL H 2 13 VAL HB . . 2.900 2.311 2.290 2.336 . 0 0 "[ . 1 . 2]" 2
265 2 12 LEU HB2 2 13 VAL H . . 3.840 2.723 2.651 2.806 . 0 0 "[ . 1 . 2]" 2
266 2 13 VAL H 2 13 VAL MG2 . . 2.820 2.427 2.384 2.470 . 0 0 "[ . 1 . 2]" 2
267 2 12 LEU QD 2 13 VAL H . . 4.190 4.165 4.119 4.194 0.004 7 0 "[ . 1 . 2]" 2
268 2 58 ASP H 2 59 TRP QB . . 5.500 4.110 4.069 4.179 . 0 0 "[ . 1 . 2]" 2
269 2 23 LYS HA 2 27 GLU H . . 4.190 3.800 3.628 3.901 . 0 0 "[ . 1 . 2]" 2
270 2 27 GLU H 2 28 ILE HA . . 5.300 5.072 5.047 5.089 . 0 0 "[ . 1 . 2]" 2
271 2 24 ILE HA 2 27 GLU H . . 4.010 3.837 3.640 3.930 . 0 0 "[ . 1 . 2]" 2
272 2 23 LYS QE 2 27 GLU H . . 4.740 4.519 4.387 4.585 . 0 0 "[ . 1 . 2]" 2
273 2 27 GLU H 2 27 GLU QB . . 3.040 2.480 2.449 2.506 . 0 0 "[ . 1 . 2]" 2
274 2 27 GLU H 2 28 ILE HB . . 4.560 4.505 4.461 4.539 . 0 0 "[ . 1 . 2]" 2
275 2 110 LYS H 2 113 LEU HG . . 4.360 4.432 4.399 4.470 0.110 4 0 "[ . 1 . 2]" 2
276 2 27 GLU H 2 30 THR MG . . 5.000 4.431 4.341 4.596 . 0 0 "[ . 1 . 2]" 2
277 2 24 ILE H 2 27 GLU H . . 5.040 4.770 4.696 4.830 . 0 0 "[ . 1 . 2]" 2
278 2 96 LYS H 2 98 PHE H . . 5.110 3.972 3.908 4.053 . 0 0 "[ . 1 . 2]" 2
279 2 96 LYS H 2 97 TYR H . . 3.800 2.557 2.486 2.587 . 0 0 "[ . 1 . 2]" 2
280 2 95 GLN QB 2 96 LYS H . . 3.570 3.635 3.615 3.651 0.081 18 0 "[ . 1 . 2]" 2
281 2 96 LYS H 2 96 LYS QD . . 4.530 4.388 4.351 4.418 . 0 0 "[ . 1 . 2]" 2
282 2 96 LYS H 2 96 LYS QG . . 4.220 3.966 3.959 3.974 . 0 0 "[ . 1 . 2]" 2
283 2 112 TYR H 2 114 GLU H . . 3.870 3.878 3.728 3.925 0.055 2 0 "[ . 1 . 2]" 2
284 2 111 LYS H 2 114 GLU H . . 4.890 4.831 4.763 4.857 . 0 0 "[ . 1 . 2]" 2
285 2 114 GLU H 2 114 GLU HA . . 2.830 2.839 2.824 2.904 0.074 6 0 "[ . 1 . 2]" 2
286 2 111 LYS HA 2 114 GLU H . . 3.730 3.229 3.178 3.263 . 0 0 "[ . 1 . 2]" 2
287 2 110 LYS HA 2 114 GLU H . . 4.630 4.492 4.362 4.551 . 0 0 "[ . 1 . 2]" 2
288 2 114 GLU H 2 114 GLU HB3 . . 3.590 2.543 2.346 3.513 . 0 0 "[ . 1 . 2]" 2
289 2 114 GLU H 2 114 GLU HB2 . . 3.590 3.362 2.103 3.587 . 0 0 "[ . 1 . 2]" 2
290 2 113 LEU QB 2 114 GLU H . . 3.950 3.955 3.884 3.976 0.026 13 0 "[ . 1 . 2]" 2
291 2 113 LEU QD 2 114 GLU H . . 3.670 3.133 3.011 3.218 . 0 0 "[ . 1 . 2]" 2
292 2 111 LYS HA 2 113 LEU H . . 4.090 4.015 3.907 4.170 0.080 4 0 "[ . 1 . 2]" 2
293 2 50 VAL H 2 52 ILE H . . 3.980 3.419 3.372 3.779 . 0 0 "[ . 1 . 2]" 2
294 2 47 TYR HD2 2 52 ILE H . . 5.500 3.811 3.397 5.801 0.301 14 0 "[ . 1 . 2]" 2
295 2 47 TYR HA 2 52 ILE H . . 4.100 3.770 3.538 3.989 . 0 0 "[ . 1 . 2]" 2
296 2 51 ASN HA 2 52 ILE H . . 3.130 2.924 2.608 2.981 . 0 0 "[ . 1 . 2]" 2
297 2 109 VAL HA 2 113 LEU H . . 4.420 4.418 4.317 4.457 0.037 16 0 "[ . 1 . 2]" 2
298 2 112 TYR QB 2 113 LEU H . . 3.400 3.225 3.178 3.303 . 0 0 "[ . 1 . 2]" 2
299 2 50 VAL HB 2 52 ILE H . . 4.910 4.075 3.936 4.773 . 0 0 "[ . 1 . 2]" 2
300 2 113 LEU H 2 113 LEU HG . . 3.000 1.920 1.829 1.984 . 0 0 "[ . 1 . 2]" 2
301 2 52 ILE H 2 52 ILE HB . . 3.090 2.595 2.565 2.887 . 0 0 "[ . 1 . 2]" 2
302 2 113 LEU H 2 113 LEU QB . . 3.450 2.826 2.785 2.879 . 0 0 "[ . 1 . 2]" 2
303 2 50 VAL MG2 2 52 ILE H . . 3.370 2.079 1.999 2.606 . 0 0 "[ . 1 . 2]" 2
304 2 52 ILE H 2 52 ILE MG . . 2.920 2.007 1.975 2.055 . 0 0 "[ . 1 . 2]" 2
305 2 52 ILE H 2 52 ILE MD . . 4.440 4.357 4.333 4.512 0.072 14 0 "[ . 1 . 2]" 2
306 2 79 LEU H 2 80 LEU H . . 2.920 2.522 2.441 2.596 . 0 0 "[ . 1 . 2]" 2
307 2 78 GLU H 2 80 LEU H . . 3.990 3.911 3.793 4.122 0.132 20 0 "[ . 1 . 2]" 2
308 2 78 GLU HA 2 80 LEU H . . 5.500 3.829 3.732 3.898 . 0 0 "[ . 1 . 2]" 2
309 2 77 LEU HA 2 80 LEU H . . 3.830 3.644 3.454 3.875 0.045 18 0 "[ . 1 . 2]" 2
310 2 79 LEU HB3 2 80 LEU H . . 4.400 4.415 4.365 4.455 0.055 20 0 "[ . 1 . 2]" 2
311 2 80 LEU H 2 80 LEU MD1 . . 5.500 3.936 3.547 4.273 . 0 0 "[ . 1 . 2]" 2
312 2 80 LEU H 2 80 LEU MD2 . . 5.500 3.939 3.199 4.237 . 0 0 "[ . 1 . 2]" 2
313 2 77 LEU MD2 2 80 LEU H . . 5.500 4.825 4.729 4.944 . 0 0 "[ . 1 . 2]" 2
314 2 20 PRO HA 2 23 LYS H . . 4.780 4.868 4.832 4.896 0.116 7 0 "[ . 1 . 2]" 2
315 2 23 LYS H 2 23 LYS HG2 . . 3.170 2.432 2.369 2.553 . 0 0 "[ . 1 . 2]" 2
316 2 22 GLU HA 2 23 LYS H . . 3.450 3.490 3.481 3.505 0.055 11 0 "[ . 1 . 2]" 2
317 2 21 VAL HA 2 23 LYS H . . 3.850 3.741 3.675 3.857 0.007 16 0 "[ . 1 . 2]" 2
318 2 23 LYS H 2 23 LYS QE . . 4.680 4.525 4.488 4.593 . 0 0 "[ . 1 . 2]" 2
319 2 20 PRO HB2 2 23 LYS H . . 3.940 3.937 3.893 3.971 0.031 14 0 "[ . 1 . 2]" 2
320 2 23 LYS H 2 24 ILE MD . . 3.510 3.134 2.971 3.214 . 0 0 "[ . 1 . 2]" 2
321 2 9 ARG H 2 10 LYS H . . 3.370 2.736 2.645 2.829 . 0 0 "[ . 1 . 2]" 2
322 2 9 ARG H 2 12 LEU HG . . 4.910 4.930 4.868 5.022 0.112 18 0 "[ . 1 . 2]" 2
323 2 8 LEU H 2 9 ARG H . . 3.110 2.682 2.588 2.755 . 0 0 "[ . 1 . 2]" 2
324 2 5 PHE HA 2 9 ARG H . . 4.110 3.595 3.515 3.681 . 0 0 "[ . 1 . 2]" 2
325 2 8 LEU HB2 2 9 ARG H . . 4.190 2.853 2.757 3.906 . 0 0 "[ . 1 . 2]" 2
326 2 9 ARG H 2 9 ARG HG3 . . 3.420 2.342 2.229 2.394 . 0 0 "[ . 1 . 2]" 2
327 2 8 LEU HG 2 9 ARG H . . 4.940 5.043 4.908 5.143 0.203 18 0 "[ . 1 . 2]" 2
328 2 8 LEU QD 2 9 ARG H . . 3.980 3.924 3.063 3.979 . 0 0 "[ . 1 . 2]" 2
329 2 62 ILE H 2 63 LEU H . . 3.590 2.591 2.551 2.632 . 0 0 "[ . 1 . 2]" 2
330 2 60 HIS HA 2 63 LEU H . . 3.910 3.631 3.532 3.743 . 0 0 "[ . 1 . 2]" 2
331 2 61 VAL HA 2 63 LEU H . . 4.950 4.429 4.337 4.486 . 0 0 "[ . 1 . 2]" 2
332 2 63 LEU H 2 64 TYR QB . . 4.390 4.307 4.249 4.353 . 0 0 "[ . 1 . 2]" 2
333 2 62 ILE HG12 2 63 LEU H . . 5.440 5.149 5.130 5.171 . 0 0 "[ . 1 . 2]" 2
334 2 62 ILE HB 2 63 LEU H . . 3.660 2.824 2.785 2.879 . 0 0 "[ . 1 . 2]" 2
335 2 63 LEU H 2 63 LEU HB2 . . 3.370 2.336 2.319 2.353 . 0 0 "[ . 1 . 2]" 2
336 2 63 LEU H 2 63 LEU HG . . 3.260 2.416 2.345 2.480 . 0 0 "[ . 1 . 2]" 2
337 2 65 LEU H 2 66 MET H . . 3.660 2.615 2.580 2.635 . 0 0 "[ . 1 . 2]" 2
338 2 66 MET H 2 66 MET HB2 . . 3.210 2.254 2.089 2.309 . 0 0 "[ . 1 . 2]" 2
339 2 65 LEU HB2 2 66 MET H . . 4.320 4.139 4.108 4.174 . 0 0 "[ . 1 . 2]" 2
340 2 65 LEU HG 2 66 MET H . . 3.300 2.649 2.568 2.719 . 0 0 "[ . 1 . 2]" 2
341 2 62 ILE MG 2 66 MET H . . 5.130 4.555 4.496 4.611 . 0 0 "[ . 1 . 2]" 2
342 2 63 LEU H 2 66 MET H . . 5.500 4.908 4.823 5.018 . 0 0 "[ . 1 . 2]" 2
343 2 66 MET H 2 70 VAL H . . 5.500 5.330 5.223 5.507 0.007 12 0 "[ . 1 . 2]" 2
344 2 64 TYR H 2 66 MET H . . 4.730 3.804 3.719 3.891 . 0 0 "[ . 1 . 2]" 2
345 2 63 LEU HA 2 66 MET H . . 4.010 3.597 3.505 3.771 . 0 0 "[ . 1 . 2]" 2
346 2 86 ALA H 2 87 LYS H . . 3.680 2.714 2.590 2.797 . 0 0 "[ . 1 . 2]" 2
347 2 86 ALA H 2 87 LYS HB3 . . 5.490 4.787 4.550 4.916 . 0 0 "[ . 1 . 2]" 2
348 2 85 LYS QG 2 86 ALA H . . 5.050 4.340 4.208 4.483 . 0 0 "[ . 1 . 2]" 2
349 2 12 LEU H 2 13 VAL H . . 3.360 2.536 2.491 2.585 . 0 0 "[ . 1 . 2]" 2
350 2 11 GLU H 2 12 LEU H . . 3.070 2.464 2.422 2.516 . 0 0 "[ . 1 . 2]" 2
351 2 8 LEU HA 2 12 LEU H . . 4.590 4.004 3.735 4.488 . 0 0 "[ . 1 . 2]" 2
352 2 10 LYS HA 2 12 LEU H . . 4.550 4.377 4.321 4.424 . 0 0 "[ . 1 . 2]" 2
353 2 11 GLU QB 2 12 LEU H . . 2.930 2.847 2.745 2.941 0.011 4 0 "[ . 1 . 2]" 2
354 2 12 LEU H 2 12 LEU HB2 . . 3.170 2.322 2.278 2.376 . 0 0 "[ . 1 . 2]" 2
355 2 12 LEU H 2 13 VAL MG2 . . 4.200 4.228 4.205 4.251 0.051 16 0 "[ . 1 . 2]" 2
356 2 12 LEU H 2 12 LEU HG . . 3.360 2.427 2.381 2.480 . 0 0 "[ . 1 . 2]" 2
357 2 12 LEU H 2 12 LEU QD . . 3.300 3.183 3.158 3.216 . 0 0 "[ . 1 . 2]" 2
358 2 16 ASP H 2 17 SER H . . 4.840 4.672 4.659 4.682 . 0 0 "[ . 1 . 2]" 2
359 2 17 SER H 2 70 VAL HA . . 4.220 2.464 2.169 2.645 . 0 0 "[ . 1 . 2]" 2
360 2 17 SER H 2 19 LYS QE . . 5.500 5.059 4.389 5.569 0.069 17 0 "[ . 1 . 2]" 2
361 2 16 ASP QB 2 17 SER H . . 3.810 3.420 3.378 3.486 . 0 0 "[ . 1 . 2]" 2
362 2 17 SER H 2 19 LYS QG . . 4.840 4.379 3.988 4.923 0.083 13 0 "[ . 1 . 2]" 2
363 2 106 TRP H 2 108 VAL H . . 4.530 4.095 4.022 4.150 . 0 0 "[ . 1 . 2]" 2
364 2 86 ALA H 2 97 TYR HE2 . . 4.810 4.697 4.467 4.860 0.050 12 0 "[ . 1 . 2]" 2
365 2 86 ALA H 2 86 ALA MB . . 3.200 2.189 2.166 2.229 . 0 0 "[ . 1 . 2]" 2
366 2 86 ALA H 2 88 GLU H . . 5.290 4.906 4.745 5.073 . 0 0 "[ . 1 . 2]" 2
367 2 84 SER QB 2 86 ALA H . . 4.330 2.535 2.298 2.703 . 0 0 "[ . 1 . 2]" 2
368 2 11 GLU HA 2 12 LEU H . . 3.480 3.535 3.513 3.555 0.075 18 0 "[ . 1 . 2]" 2
369 2 10 LYS QE 2 12 LEU H . . 5.500 5.179 4.901 5.521 0.021 19 0 "[ . 1 . 2]" 2
370 2 59 TRP H 2 60 HIS H . . 3.560 2.625 2.583 2.667 . 0 0 "[ . 1 . 2]" 2
371 2 59 TRP H 2 59 TRP HD1 . . 5.260 4.808 4.778 4.865 . 0 0 "[ . 1 . 2]" 2
372 2 59 TRP H 2 59 TRP QB . . 3.560 2.185 2.177 2.203 . 0 0 "[ . 1 . 2]" 2
373 2 58 ASP QB 2 59 TRP H . . 3.990 2.946 2.892 3.017 . 0 0 "[ . 1 . 2]" 2
374 2 59 TRP H 2 62 ILE MD . . 4.700 4.725 4.708 4.755 0.055 9 0 "[ . 1 . 2]" 2
375 2 59 TRP H 2 61 VAL H . . 4.760 4.038 3.979 4.092 . 0 0 "[ . 1 . 2]" 2
376 2 55 SER HA 2 59 TRP H . . 5.280 4.423 4.232 4.588 . 0 0 "[ . 1 . 2]" 2
377 2 110 LYS H 2 112 TYR H . . 4.220 3.936 3.898 3.974 . 0 0 "[ . 1 . 2]" 2
378 2 109 VAL H 2 112 TYR H . . 5.500 4.635 4.576 4.666 . 0 0 "[ . 1 . 2]" 2
379 2 112 TYR H 2 113 LEU H . . 2.870 2.475 2.444 2.501 . 0 0 "[ . 1 . 2]" 2
380 2 112 TYR H 2 112 TYR HD2 . . 3.590 3.577 3.491 3.616 0.026 9 0 "[ . 1 . 2]" 2
381 2 111 LYS H 2 112 TYR H . . 2.960 2.451 2.384 2.544 . 0 0 "[ . 1 . 2]" 2
382 2 112 TYR H 2 113 LEU HA . . 5.330 5.152 5.123 5.173 . 0 0 "[ . 1 . 2]" 2
383 2 109 VAL HA 2 112 TYR H . . 3.620 3.276 3.215 3.332 . 0 0 "[ . 1 . 2]" 2
384 2 112 TYR H 2 112 TYR QB . . 2.890 2.021 1.998 2.033 . 0 0 "[ . 1 . 2]" 2
385 2 111 LYS QB 2 112 TYR H . . 3.680 3.691 3.675 3.710 0.030 5 0 "[ . 1 . 2]" 2
386 2 111 LYS QG 2 112 TYR H . . 3.640 2.500 2.360 2.571 . 0 0 "[ . 1 . 2]" 2
387 2 110 LYS QB 2 112 TYR H . . 5.180 4.957 4.894 4.984 . 0 0 "[ . 1 . 2]" 2
388 2 102 LEU QD 2 106 TRP H . . 5.190 4.029 3.572 5.131 . 0 0 "[ . 1 . 2]" 2
389 2 105 ALA H 2 106 TRP H . . 3.230 2.608 2.554 2.731 . 0 0 "[ . 1 . 2]" 2
390 2 106 TRP H 2 106 TRP HD1 . . 5.090 4.857 4.799 4.910 . 0 0 "[ . 1 . 2]" 2
391 2 103 SER HA 2 106 TRP H . . 3.930 3.849 3.735 3.947 0.017 1 0 "[ . 1 . 2]" 2
392 2 106 TRP H 2 106 TRP HB3 . . 3.000 2.358 2.315 2.397 . 0 0 "[ . 1 . 2]" 2
393 2 106 TRP H 2 108 VAL QG . . 5.060 4.707 4.169 5.078 0.018 1 0 "[ . 1 . 2]" 2
394 2 105 ALA MB 2 106 TRP H . . 3.010 2.677 2.567 2.770 . 0 0 "[ . 1 . 2]" 2
395 2 62 ILE MG 2 106 TRP H . . 4.940 4.803 4.648 4.944 0.004 2 0 "[ . 1 . 2]" 2
396 2 12 LEU QD 2 106 TRP H . . 4.530 4.353 4.252 4.434 . 0 0 "[ . 1 . 2]" 2
397 2 5 PHE H 2 6 GLU H . . 4.000 2.524 2.447 2.647 . 0 0 "[ . 1 . 2]" 2
398 2 97 TYR H 2 98 PHE H . . 3.670 2.605 2.570 2.641 . 0 0 "[ . 1 . 2]" 2
399 2 97 TYR H 2 99 VAL H . . 5.000 4.160 4.090 4.261 . 0 0 "[ . 1 . 2]" 2
400 2 97 TYR H 2 97 TYR QB . . 3.530 2.097 2.075 2.130 . 0 0 "[ . 1 . 2]" 2
401 2 95 GLN QB 2 97 TYR H . . 5.500 5.252 5.202 5.327 . 0 0 "[ . 1 . 2]" 2
402 2 97 TYR H 2 100 ILE HB . . 5.500 5.118 5.058 5.177 . 0 0 "[ . 1 . 2]" 2
403 2 94 THR MG 2 97 TYR H . . 4.900 4.640 4.512 4.770 . 0 0 "[ . 1 . 2]" 2
404 2 96 LYS QB 2 97 TYR H . . 4.050 2.563 2.500 2.644 . 0 0 "[ . 1 . 2]" 2
405 2 66 MET H 2 67 LYS H . . 3.400 2.546 2.517 2.586 . 0 0 "[ . 1 . 2]" 2
406 2 67 LYS H 2 70 VAL H . . 5.250 5.280 5.180 5.354 0.104 5 0 "[ . 1 . 2]" 2
407 2 67 LYS H 2 67 LYS HB2 . . 3.520 2.474 2.413 2.528 . 0 0 "[ . 1 . 2]" 2
408 2 67 LYS H 2 67 LYS HG2 . . 3.390 2.434 2.162 3.244 . 0 0 "[ . 1 . 2]" 2
409 2 77 LEU H 2 79 LEU H . . 4.320 4.219 4.054 4.332 0.012 9 0 "[ . 1 . 2]" 2
410 2 79 LEU H 2 80 LEU HA . . 5.200 4.775 4.641 4.863 . 0 0 "[ . 1 . 2]" 2
411 2 75 LYS HA 2 79 LEU H . . 3.990 3.947 3.763 4.130 0.140 3 0 "[ . 1 . 2]" 2
412 2 79 LEU H 2 79 LEU HG . . 2.950 2.062 1.999 2.161 . 0 0 "[ . 1 . 2]" 2
413 2 79 LEU H 2 79 LEU HB3 . . 3.150 2.683 2.593 2.738 . 0 0 "[ . 1 . 2]" 2
414 2 79 LEU H 2 79 LEU QD . . 3.110 3.010 2.969 3.074 . 0 0 "[ . 1 . 2]" 2
415 2 77 LEU MD2 2 79 LEU H . . 5.500 5.014 4.892 5.152 . 0 0 "[ . 1 . 2]" 2
416 2 26 GLU H 2 27 GLU H . . 3.010 2.568 2.486 2.655 . 0 0 "[ . 1 . 2]" 2
417 2 24 ILE H 2 26 GLU H . . 4.250 3.753 3.701 3.797 . 0 0 "[ . 1 . 2]" 2
418 2 23 LYS H 2 26 GLU H . . 4.770 4.762 4.680 4.819 0.049 3 0 "[ . 1 . 2]" 2
419 2 23 LYS HA 2 26 GLU H . . 3.310 3.317 3.232 3.398 0.088 17 0 "[ . 1 . 2]" 2
420 2 26 GLU H 2 29 CYS QB . . 5.050 5.094 4.835 5.290 0.240 3 0 "[ . 1 . 2]" 2
421 2 26 GLU H 2 41 ILE MG . . 5.480 4.945 4.787 5.055 . 0 0 "[ . 1 . 2]" 2
422 2 26 GLU H 2 26 GLU HA . . 2.940 2.892 2.873 2.914 . 0 0 "[ . 1 . 2]" 2
423 2 25 LYS HA 2 26 GLU H . . 3.490 3.498 3.470 3.531 0.041 9 0 "[ . 1 . 2]" 2
424 2 26 GLU H 2 26 GLU QB . . 2.490 2.230 2.207 2.245 . 0 0 "[ . 1 . 2]" 2
425 2 25 LYS HD2 2 26 GLU H . . 3.690 3.578 3.094 3.723 0.033 17 0 "[ . 1 . 2]" 2
426 2 25 LYS HG2 2 26 GLU H . . 4.230 2.434 2.290 2.645 . 0 0 "[ . 1 . 2]" 2
427 2 64 TYR HA 2 67 LYS H . . 4.000 3.297 3.187 3.392 . 0 0 "[ . 1 . 2]" 2
428 2 65 LEU HA 2 67 LYS H . . 4.370 3.875 3.783 3.926 . 0 0 "[ . 1 . 2]" 2
429 2 67 LYS H 2 67 LYS HE2 . . 5.500 4.698 4.385 5.426 . 0 0 "[ . 1 . 2]" 2
430 2 66 MET HB3 2 67 LYS H . . 4.240 3.837 3.516 3.941 . 0 0 "[ . 1 . 2]" 2
431 2 67 LYS H 2 67 LYS HG3 . . 3.490 3.279 2.237 3.632 0.142 6 0 "[ . 1 . 2]" 2
432 2 67 LYS H 2 67 LYS HD2 . . 5.140 4.687 4.292 4.857 . 0 0 "[ . 1 . 2]" 2
433 2 65 LEU H 2 67 LYS H . . 4.550 4.114 4.071 4.155 . 0 0 "[ . 1 . 2]" 2
434 2 67 LYS H 2 68 HIS HA . . 5.470 5.170 5.110 5.211 . 0 0 "[ . 1 . 2]" 2
435 2 63 LEU HA 2 67 LYS H . . 5.120 4.742 4.660 4.955 . 0 0 "[ . 1 . 2]" 2
436 2 66 MET HB2 2 67 LYS H . . 3.600 3.190 3.155 3.292 . 0 0 "[ . 1 . 2]" 2
437 2 100 ILE H 2 101 THR H . . 3.750 2.671 2.621 2.730 . 0 0 "[ . 1 . 2]" 2
438 2 101 THR H 2 101 THR HB . . 2.820 2.364 2.344 2.384 . 0 0 "[ . 1 . 2]" 2
439 2 101 THR H 2 102 LEU QB . . 4.680 4.528 4.444 4.687 0.007 8 0 "[ . 1 . 2]" 2
440 2 100 ILE MG 2 101 THR H . . 3.340 3.114 3.022 3.175 . 0 0 "[ . 1 . 2]" 2
441 2 100 ILE MD 2 101 THR H . . 4.980 4.627 4.573 4.675 . 0 0 "[ . 1 . 2]" 2
442 2 101 THR H 2 102 LEU QD . . 5.500 4.972 3.710 5.323 . 0 0 "[ . 1 . 2]" 2
443 2 44 ASN H 2 45 LYS H . . 3.510 2.413 2.351 2.475 . 0 0 "[ . 1 . 2]" 2
444 2 40 ILE HA 2 45 LYS H . . 3.380 3.115 2.970 3.364 . 0 0 "[ . 1 . 2]" 2
445 2 39 GLU QG 2 45 LYS H . . 4.810 3.252 2.922 5.167 0.357 9 0 "[ . 1 . 2]" 2
446 2 39 GLU QB 2 45 LYS H . . 4.640 4.567 3.338 4.775 0.135 2 0 "[ . 1 . 2]" 2
447 2 45 LYS H 2 45 LYS HG2 . . 3.210 3.128 2.973 3.261 0.051 17 0 "[ . 1 . 2]" 2
448 2 40 ILE MG 2 45 LYS H . . 4.830 4.751 4.609 4.953 0.123 9 0 "[ . 1 . 2]" 2
449 2 40 ILE MD 2 45 LYS H . . 3.860 3.559 3.210 3.867 0.007 1 0 "[ . 1 . 2]" 2
450 2 51 ASN H 2 52 ILE H . . 3.110 2.836 2.782 3.014 . 0 0 "[ . 1 . 2]" 2
451 2 50 VAL H 2 51 ASN H . . 2.910 2.222 2.155 2.267 . 0 0 "[ . 1 . 2]" 2
452 2 51 ASN H 2 51 ASN HA . . 2.560 2.256 2.246 2.267 . 0 0 "[ . 1 . 2]" 2
453 2 48 ALA HA 2 51 ASN H . . 3.700 3.016 2.883 3.089 . 0 0 "[ . 1 . 2]" 2
454 2 49 ASP QB 2 51 ASN H . . 4.810 4.371 4.321 4.434 . 0 0 "[ . 1 . 2]" 2
455 2 51 ASN H 2 51 ASN HB3 . . 3.980 3.855 3.594 3.998 0.018 7 0 "[ . 1 . 2]" 2
456 2 50 VAL HB 2 51 ASN H . . 4.400 4.381 4.334 4.417 0.017 7 0 "[ . 1 . 2]" 2
457 2 50 VAL MG2 2 51 ASN H . . 3.490 3.173 3.093 3.255 . 0 0 "[ . 1 . 2]" 2
458 2 50 VAL MG1 2 51 ASN H . . 5.250 4.287 4.257 4.324 . 0 0 "[ . 1 . 2]" 2
459 2 51 ASN H 2 52 ILE MG . . 4.470 4.133 4.049 4.198 . 0 0 "[ . 1 . 2]" 2
460 2 100 ILE HB 2 101 THR H . . 4.100 2.710 2.676 2.747 . 0 0 "[ . 1 . 2]" 2
461 2 21 VAL H 2 22 GLU H . . 3.290 2.717 2.682 2.823 . 0 0 "[ . 1 . 2]" 2
462 2 22 GLU H 2 23 LYS H . . 2.990 2.655 2.630 2.671 . 0 0 "[ . 1 . 2]" 2
463 2 20 PRO HA 2 22 GLU H . . 4.310 4.272 4.186 4.337 0.027 14 0 "[ . 1 . 2]" 2
464 2 22 GLU H 2 22 GLU HA . . 2.820 2.846 2.840 2.856 0.036 8 0 "[ . 1 . 2]" 2
465 2 22 GLU H 2 25 LYS QE . . 5.380 5.383 5.244 5.554 0.174 8 0 "[ . 1 . 2]" 2
466 2 20 PRO HB2 2 22 GLU H . . 3.670 2.613 2.553 2.698 . 0 0 "[ . 1 . 2]" 2
467 2 22 GLU H 2 22 GLU QG . . 3.050 2.071 2.045 2.122 . 0 0 "[ . 1 . 2]" 2
468 2 22 GLU H 2 25 LYS HD2 . . 4.820 4.806 4.604 4.866 0.046 4 0 "[ . 1 . 2]" 2
469 2 22 GLU H 2 23 LYS HG2 . . 4.570 4.202 4.129 4.352 . 0 0 "[ . 1 . 2]" 2
470 2 25 LYS H 2 28 ILE H . . 4.810 4.868 4.832 4.896 0.086 8 0 "[ . 1 . 2]" 2
471 2 28 ILE H 2 30 THR H . . 4.610 3.837 3.771 3.897 . 0 0 "[ . 1 . 2]" 2
472 2 25 LYS HA 2 28 ILE H . . 3.700 3.309 3.221 3.445 . 0 0 "[ . 1 . 2]" 2
473 2 28 ILE H 2 29 CYS QB . . 4.700 4.322 4.032 4.464 . 0 0 "[ . 1 . 2]" 2
474 2 27 GLU HG3 2 28 ILE H . . 4.590 3.196 3.117 3.302 . 0 0 "[ . 1 . 2]" 2
475 2 27 GLU QB 2 28 ILE H . . 3.650 3.719 3.710 3.726 0.076 16 0 "[ . 1 . 2]" 2
476 2 28 ILE H 2 28 ILE HB . . 2.850 2.348 2.328 2.370 . 0 0 "[ . 1 . 2]" 2
477 2 28 ILE H 2 28 ILE MD . . 3.790 3.720 3.631 3.810 0.020 3 0 "[ . 1 . 2]" 2
478 2 26 GLU H 2 28 ILE H . . 4.700 3.918 3.812 3.993 . 0 0 "[ . 1 . 2]" 2
479 2 28 ILE H 2 29 CYS HA . . 5.400 5.007 4.955 5.065 . 0 0 "[ . 1 . 2]" 2
480 2 40 ILE MD 2 49 ASP H . . 5.150 3.786 3.547 3.970 . 0 0 "[ . 1 . 2]" 2
481 2 47 TYR H 2 49 ASP H . . 4.200 3.294 3.089 4.413 0.213 9 0 "[ . 1 . 2]" 2
482 2 48 ALA H 2 49 ASP H . . 3.400 2.677 2.611 2.707 . 0 0 "[ . 1 . 2]" 2
483 2 46 THR H 2 49 ASP H . . 3.720 3.400 3.027 3.488 . 0 0 "[ . 1 . 2]" 2
484 2 49 ASP H 2 51 ASN H . . 3.910 3.675 3.570 3.733 . 0 0 "[ . 1 . 2]" 2
485 2 49 ASP H 2 50 VAL H . . 3.120 2.614 2.554 2.678 . 0 0 "[ . 1 . 2]" 2
486 2 47 TYR HA 2 49 ASP H . . 4.060 3.766 3.580 3.856 . 0 0 "[ . 1 . 2]" 2
487 2 49 ASP H 2 49 ASP QB . . 3.130 2.194 2.177 2.231 . 0 0 "[ . 1 . 2]" 2
488 2 46 THR MG 2 49 ASP H . . 5.000 4.584 3.830 4.744 . 0 0 "[ . 1 . 2]" 2
489 2 49 ASP H 2 50 VAL MG2 . . 4.060 3.761 3.580 3.829 . 0 0 "[ . 1 . 2]" 2
490 2 7 GLU H 2 9 ARG H . . 4.460 4.200 4.049 4.275 . 0 0 "[ . 1 . 2]" 2
491 2 5 PHE H 2 7 GLU H . . 4.980 4.215 4.044 4.298 . 0 0 "[ . 1 . 2]" 2
492 2 6 GLU H 2 7 GLU H . . 3.320 2.646 2.608 2.717 . 0 0 "[ . 1 . 2]" 2
493 2 4 GLU HA 2 7 GLU H . . 4.180 3.370 3.154 3.592 . 0 0 "[ . 1 . 2]" 2
494 2 6 GLU QG 2 7 GLU H . . 3.490 3.512 3.451 3.576 0.086 14 0 "[ . 1 . 2]" 2
495 2 6 GLU HB3 2 7 GLU H . . 3.030 2.837 2.720 2.918 . 0 0 "[ . 1 . 2]" 2
496 2 62 ILE H 2 64 TYR H . . 4.320 3.952 3.858 4.048 . 0 0 "[ . 1 . 2]" 2
497 2 63 LEU H 2 64 TYR H . . 3.510 2.588 2.557 2.631 . 0 0 "[ . 1 . 2]" 2
498 2 64 TYR H 2 67 LYS H . . 5.090 4.826 4.757 4.927 . 0 0 "[ . 1 . 2]" 2
499 2 64 TYR H 2 64 TYR HD2 . . 4.630 4.517 4.484 4.542 . 0 0 "[ . 1 . 2]" 2
500 2 61 VAL HA 2 64 TYR H . . 4.130 3.366 3.228 3.510 . 0 0 "[ . 1 . 2]" 2
501 2 64 TYR H 2 64 TYR QB . . 3.050 2.199 2.171 2.226 . 0 0 "[ . 1 . 2]" 2
502 2 64 TYR H 2 65 LEU MD2 . . 5.500 4.652 4.605 4.698 . 0 0 "[ . 1 . 2]" 2
503 2 64 TYR H 2 66 MET HB2 . . 4.900 4.790 4.492 4.991 0.091 12 0 "[ . 1 . 2]" 2
504 2 63 LEU HB2 2 64 TYR H . . 3.790 2.859 2.708 2.941 . 0 0 "[ . 1 . 2]" 2
505 2 64 TYR H 2 65 LEU HG . . 3.790 3.888 3.855 3.926 0.136 11 0 "[ . 1 . 2]" 2
506 2 37 ILE MD 2 64 TYR H . . 4.400 4.143 3.808 4.393 . 0 0 "[ . 1 . 2]" 2
507 2 98 PHE H 2 99 VAL H . . 3.830 2.719 2.680 2.747 . 0 0 "[ . 1 . 2]" 2
508 2 99 VAL H 2 100 ILE H . . 3.810 2.627 2.607 2.661 . 0 0 "[ . 1 . 2]" 2
509 2 99 VAL H 2 101 THR H . . 4.960 4.250 4.213 4.285 . 0 0 "[ . 1 . 2]" 2
510 2 98 PHE HE1 2 99 VAL H . . 4.940 4.919 4.831 4.969 0.029 14 0 "[ . 1 . 2]" 2
511 2 98 PHE HD1 2 99 VAL H . . 4.100 2.784 2.714 2.855 . 0 0 "[ . 1 . 2]" 2
512 2 99 VAL H 2 100 ILE HA . . 5.500 5.256 5.235 5.285 . 0 0 "[ . 1 . 2]" 2
513 2 99 VAL H 2 101 THR HB . . 5.500 5.491 5.425 5.547 0.047 8 0 "[ . 1 . 2]" 2
514 2 98 PHE HB2 2 99 VAL H . . 4.360 4.162 4.102 4.193 . 0 0 "[ . 1 . 2]" 2
515 2 95 GLN QB 2 99 VAL H . . 5.500 4.563 4.427 4.852 . 0 0 "[ . 1 . 2]" 2
516 2 99 VAL H 2 99 VAL HB . . 3.140 2.304 2.253 2.356 . 0 0 "[ . 1 . 2]" 2
517 2 99 VAL H 2 99 VAL QG . . 3.310 2.428 2.342 2.487 . 0 0 "[ . 1 . 2]" 2
518 2 28 ILE H 2 31 LYS QE . . 5.500 5.173 4.743 5.337 . 0 0 "[ . 1 . 2]" 2
519 2 76 ILE H 2 77 LEU HA . . 5.400 5.235 5.195 5.293 . 0 0 "[ . 1 . 2]" 2
520 2 76 ILE H 2 77 LEU H . . 3.410 2.574 2.528 2.644 . 0 0 "[ . 1 . 2]" 2
521 2 75 LYS H 2 76 ILE H . . 3.290 2.350 2.295 2.405 . 0 0 "[ . 1 . 2]" 2
522 2 74 ASP HA 2 76 ILE H . . 4.790 4.268 4.198 4.417 . 0 0 "[ . 1 . 2]" 2
523 2 73 PRO HA 2 76 ILE H . . 3.790 2.957 2.819 3.065 . 0 0 "[ . 1 . 2]" 2
524 2 76 ILE H 2 76 ILE HB . . 3.240 2.427 2.213 2.557 . 0 0 "[ . 1 . 2]" 2
525 2 76 ILE H 2 76 ILE HG13 . . 4.190 3.611 3.472 3.755 . 0 0 "[ . 1 . 2]" 2
526 2 76 ILE H 2 76 ILE MD . . 3.070 2.751 2.052 3.114 0.044 11 0 "[ . 1 . 2]" 2
527 2 76 ILE H 2 102 LEU QD . . 4.820 4.141 4.035 4.227 . 0 0 "[ . 1 . 2]" 2
528 2 66 MET H 2 68 HIS H . . 4.690 3.983 3.934 4.039 . 0 0 "[ . 1 . 2]" 2
529 2 67 LYS H 2 68 HIS H . . 3.250 2.473 2.399 2.525 . 0 0 "[ . 1 . 2]" 2
530 2 65 LEU HA 2 68 HIS H . . 3.730 3.092 2.997 3.177 . 0 0 "[ . 1 . 2]" 2
531 2 68 HIS H 2 68 HIS HB2 . . 3.260 2.308 2.221 2.358 . 0 0 "[ . 1 . 2]" 2
532 2 67 LYS HB3 2 68 HIS H . . 4.020 3.947 3.889 4.088 0.068 16 0 "[ . 1 . 2]" 2
533 2 22 GLU H 2 25 LYS H . . 5.500 5.492 5.440 5.518 0.018 2 0 "[ . 1 . 2]" 2
534 2 25 LYS H 2 27 GLU H . . 4.520 4.274 4.239 4.322 . 0 0 "[ . 1 . 2]" 2
535 2 25 LYS H 2 26 GLU H . . 3.090 2.492 2.474 2.522 . 0 0 "[ . 1 . 2]" 2
536 2 25 LYS H 2 25 LYS HA . . 2.890 2.919 2.915 2.926 0.036 14 0 "[ . 1 . 2]" 2
537 2 25 LYS H 2 25 LYS QE . . 4.300 3.396 2.877 3.547 . 0 0 "[ . 1 . 2]" 2
538 2 25 LYS H 2 26 GLU QB . . 4.260 4.230 4.201 4.266 0.006 4 0 "[ . 1 . 2]" 2
539 2 25 LYS H 2 25 LYS HD2 . . 2.870 1.830 1.765 1.936 . 0 0 "[ . 1 . 2]" 2
540 2 25 LYS H 2 25 LYS HG2 . . 3.400 2.740 2.645 3.073 . 0 0 "[ . 1 . 2]" 2
541 2 24 ILE MG 2 25 LYS H . . 2.950 2.916 2.835 2.996 0.046 12 0 "[ . 1 . 2]" 2
542 2 25 LYS H 2 28 ILE MD . . 4.970 4.829 4.664 4.999 0.029 8 0 "[ . 1 . 2]" 2
543 2 24 ILE H 2 25 LYS H . . 3.140 2.686 2.657 2.715 . 0 0 "[ . 1 . 2]" 2
544 2 23 LYS H 2 25 LYS H . . 4.550 4.461 4.407 4.499 . 0 0 "[ . 1 . 2]" 2
545 2 23 LYS HA 2 25 LYS H . . 4.570 4.594 4.548 4.662 0.092 17 0 "[ . 1 . 2]" 2
546 2 24 ILE HB 2 25 LYS H . . 3.010 2.702 2.648 2.777 . 0 0 "[ . 1 . 2]" 2
547 2 25 LYS H 2 25 LYS HB3 . . 2.990 2.703 2.662 2.722 . 0 0 "[ . 1 . 2]" 2
548 2 64 TYR HD2 2 68 HIS H . . 5.500 5.495 5.314 5.567 0.067 15 0 "[ . 1 . 2]" 2
549 2 110 LYS H 2 111 LYS H . . 3.210 2.682 2.636 2.745 . 0 0 "[ . 1 . 2]" 2
550 2 111 LYS H 2 113 LEU H . . 3.990 4.020 3.935 4.145 0.155 6 0 "[ . 1 . 2]" 2
551 2 111 LYS H 2 112 TYR HD2 . . 5.500 5.391 5.342 5.480 . 0 0 "[ . 1 . 2]" 2
552 2 111 LYS H 2 112 TYR HA . . 5.200 5.095 5.044 5.148 . 0 0 "[ . 1 . 2]" 2
553 2 110 LYS HA 2 111 LYS H . . 3.570 3.571 3.553 3.609 0.039 6 0 "[ . 1 . 2]" 2
554 2 109 VAL HB 2 111 LYS H . . 5.500 5.082 4.964 5.686 0.186 8 0 "[ . 1 . 2]" 2
555 2 111 LYS H 2 111 LYS QB . . 2.630 2.465 2.387 2.494 . 0 0 "[ . 1 . 2]" 2
556 2 111 LYS H 2 111 LYS QG . . 3.000 2.214 2.144 2.308 . 0 0 "[ . 1 . 2]" 2
557 2 110 LYS HG3 2 111 LYS H . . 3.520 2.818 2.609 3.139 . 0 0 "[ . 1 . 2]" 2
558 2 110 LYS QB 2 111 LYS H . . 3.610 3.604 3.508 3.648 0.038 1 0 "[ . 1 . 2]" 2
559 2 41 ILE H 2 44 ASN H . . 5.500 5.438 5.305 5.562 0.062 12 0 "[ . 1 . 2]" 2
560 2 41 ILE H 2 41 ILE HB . . 3.070 2.300 2.224 2.355 . 0 0 "[ . 1 . 2]" 2
561 2 40 ILE HB 2 41 ILE H . . 3.280 2.709 2.543 2.805 . 0 0 "[ . 1 . 2]" 2
562 2 37 ILE MD 2 41 ILE H . . 4.650 4.120 3.658 4.673 0.023 10 0 "[ . 1 . 2]" 2
563 2 40 ILE H 2 41 ILE H . . 3.390 2.547 2.497 2.609 . 0 0 "[ . 1 . 2]" 2
564 2 41 ILE H 2 41 ILE QG . . 3.030 2.450 2.382 2.545 . 0 0 "[ . 1 . 2]" 2
565 2 40 ILE H 2 40 ILE MG . . 3.870 3.742 3.697 3.771 . 0 0 "[ . 1 . 2]" 2
566 2 74 ASP HA 2 77 LEU H . . 4.210 3.598 3.361 3.831 . 0 0 "[ . 1 . 2]" 2
567 2 76 ILE HB 2 77 LEU H . . 3.410 2.630 2.493 2.825 . 0 0 "[ . 1 . 2]" 2
568 2 77 LEU H 2 77 LEU QB . . 2.750 2.194 2.173 2.220 . 0 0 "[ . 1 . 2]" 2
569 2 77 LEU H 2 102 LEU QD . . 5.500 4.321 4.105 4.661 . 0 0 "[ . 1 . 2]" 2
570 2 77 LEU H 2 77 LEU MD2 . . 4.160 4.002 3.979 4.029 . 0 0 "[ . 1 . 2]" 2
571 2 42 CYS H 2 43 GLU HA . . 5.120 4.850 4.750 4.922 . 0 0 "[ . 1 . 2]" 2
572 2 39 GLU HA 2 42 CYS H . . 4.540 3.668 2.667 4.057 . 0 0 "[ . 1 . 2]" 2
573 2 41 ILE H 2 42 CYS H . . 2.980 2.563 2.434 2.645 . 0 0 "[ . 1 . 2]" 2
574 2 40 ILE H 2 42 CYS H . . 5.500 3.998 3.852 4.155 . 0 0 "[ . 1 . 2]" 2
575 2 42 CYS H 2 44 ASN H . . 4.070 3.882 3.761 3.965 . 0 0 "[ . 1 . 2]" 2
576 2 41 ILE HB 2 42 CYS H . . 3.230 2.860 2.777 2.934 . 0 0 "[ . 1 . 2]" 2
577 2 40 ILE HB 2 42 CYS H . . 5.250 5.040 4.937 5.214 . 0 0 "[ . 1 . 2]" 2
578 2 41 ILE QG 2 42 CYS H . . 4.300 4.278 4.255 4.305 0.005 15 0 "[ . 1 . 2]" 2
579 2 28 ILE MG 2 42 CYS H . . 5.050 4.938 4.756 5.114 0.064 3 0 "[ . 1 . 2]" 2
580 2 40 ILE H 2 40 ILE HB . . 3.390 2.411 2.283 2.601 . 0 0 "[ . 1 . 2]" 2
581 2 39 GLU QG 2 40 ILE H . . 4.680 3.994 2.672 4.761 0.081 7 0 "[ . 1 . 2]" 2
582 2 74 ASP H 2 77 LEU H . . 5.100 4.898 4.751 5.027 . 0 0 "[ . 1 . 2]" 2
583 2 74 ASP H 2 76 ILE H . . 4.100 3.980 3.908 4.108 0.008 16 0 "[ . 1 . 2]" 2
584 2 74 ASP H 2 75 LYS H . . 2.940 2.665 2.579 2.748 . 0 0 "[ . 1 . 2]" 2
585 2 72 ASP HA 2 74 ASP H . . 4.120 3.839 3.720 3.935 . 0 0 "[ . 1 . 2]" 2
586 2 73 PRO QD 2 74 ASP H . . 3.710 2.781 2.570 2.974 . 0 0 "[ . 1 . 2]" 2
587 2 74 ASP H 2 74 ASP HB3 . . 3.660 3.402 2.582 3.609 . 0 0 "[ . 1 . 2]" 2
588 2 73 PRO QB 2 74 ASP H . . 4.070 3.560 3.467 3.641 . 0 0 "[ . 1 . 2]" 2
589 2 74 ASP H 2 102 LEU QD . . 5.340 5.055 4.846 5.159 . 0 0 "[ . 1 . 2]" 2
590 2 87 LYS H 2 88 GLU H . . 3.980 2.566 2.485 2.681 . 0 0 "[ . 1 . 2]" 2
591 2 85 LYS HA 2 87 LYS H . . 4.540 3.224 3.140 3.320 . 0 0 "[ . 1 . 2]" 2
592 2 77 LEU H 2 78 GLU H . . 3.330 2.523 2.440 2.565 . 0 0 "[ . 1 . 2]" 2
593 2 76 ILE H 2 78 GLU H . . 4.660 3.881 3.806 4.090 . 0 0 "[ . 1 . 2]" 2
594 2 78 GLU H 2 79 LEU H . . 3.100 2.577 2.502 2.647 . 0 0 "[ . 1 . 2]" 2
595 2 74 ASP HA 2 78 GLU H . . 4.400 4.423 4.248 4.506 0.106 12 0 "[ . 1 . 2]" 2
596 2 77 LEU QB 2 78 GLU H . . 3.510 2.886 2.829 2.976 . 0 0 "[ . 1 . 2]" 2
597 2 77 LEU MD2 2 78 GLU H . . 4.450 3.314 3.241 3.442 . 0 0 "[ . 1 . 2]" 2
598 2 78 GLU H 2 78 GLU HB2 . . 3.180 2.559 2.207 2.640 . 0 0 "[ . 1 . 2]" 2
599 2 76 ILE HB 2 78 GLU H . . 4.970 4.892 4.774 5.099 0.129 8 0 "[ . 1 . 2]" 2
600 2 78 GLU H 2 79 LEU QD . . 5.500 4.451 4.375 4.515 . 0 0 "[ . 1 . 2]" 2
601 2 81 PRO HA 2 82 ARG H . . 2.840 2.259 2.186 2.318 . 0 0 "[ . 1 . 2]" 2
602 2 46 THR HB 2 82 ARG H . . 5.500 5.426 5.097 5.554 0.054 16 0 "[ . 1 . 2]" 2
603 2 82 ARG H 2 82 ARG QD . . 3.690 2.121 1.616 3.421 . 0 0 "[ . 1 . 2]" 2
604 2 81 PRO HB3 2 82 ARG H . . 4.170 3.567 3.125 3.855 . 0 0 "[ . 1 . 2]" 2
605 2 81 PRO HB2 2 82 ARG H . . 4.170 3.375 2.946 3.829 . 0 0 "[ . 1 . 2]" 2
606 2 13 VAL H 2 15 ARG H . . 4.440 3.937 3.826 4.075 . 0 0 "[ . 1 . 2]" 2
607 2 12 LEU H 2 15 ARG H . . 5.270 4.866 4.762 5.025 . 0 0 "[ . 1 . 2]" 2
608 2 15 ARG H 2 16 ASP HA . . 4.750 4.673 4.585 4.732 . 0 0 "[ . 1 . 2]" 2
609 2 14 LYS HA 2 15 ARG H . . 3.460 3.463 3.429 3.497 0.037 6 0 "[ . 1 . 2]" 2
610 2 11 GLU HA 2 15 ARG H . . 4.840 4.509 4.329 4.618 . 0 0 "[ . 1 . 2]" 2
611 2 13 VAL HA 2 15 ARG H . . 4.410 3.887 3.779 3.987 . 0 0 "[ . 1 . 2]" 2
612 2 12 LEU HA 2 15 ARG H . . 3.610 3.565 3.484 3.698 0.088 7 0 "[ . 1 . 2]" 2
613 2 15 ARG H 2 16 ASP QB . . 3.790 3.874 3.837 3.903 0.113 10 0 "[ . 1 . 2]" 2
614 2 15 ARG H 2 15 ARG QB . . 3.130 2.442 2.331 2.686 . 0 0 "[ . 1 . 2]" 2
615 2 87 LYS H 2 87 LYS HB3 . . 3.400 2.312 2.235 2.369 . 0 0 "[ . 1 . 2]" 2
616 2 15 ARG H 2 15 ARG QG . . 3.080 2.671 2.598 2.735 . 0 0 "[ . 1 . 2]" 2
617 2 14 LYS HG2 2 15 ARG H . . 4.070 4.129 4.073 4.195 0.125 8 0 "[ . 1 . 2]" 2
618 2 13 VAL MG2 2 15 ARG H . . 5.270 5.175 5.085 5.287 0.017 6 0 "[ . 1 . 2]" 2
619 2 12 LEU QD 2 15 ARG H . . 4.960 4.883 4.795 4.972 0.012 2 0 "[ . 1 . 2]" 2
620 2 10 LYS H 2 12 LEU QD . . 5.390 4.935 4.823 5.286 . 0 0 "[ . 1 . 2]" 2
621 2 10 LYS H 2 12 LEU H . . 4.270 3.820 3.753 3.977 . 0 0 "[ . 1 . 2]" 2
622 2 8 LEU H 2 10 LYS H . . 4.360 4.015 3.902 4.261 . 0 0 "[ . 1 . 2]" 2
623 2 7 GLU HA 2 10 LYS H . . 3.910 3.735 3.617 3.963 0.053 18 0 "[ . 1 . 2]" 2
624 2 10 LYS H 2 11 GLU QB . . 4.570 4.330 4.228 4.417 . 0 0 "[ . 1 . 2]" 2
625 2 89 ASN HD22 2 94 THR HA . . 4.460 4.059 2.333 4.634 0.174 20 0 "[ . 1 . 2]" 2
626 2 89 ASN HD21 2 94 THR HA . . 4.460 3.366 2.413 4.482 0.022 20 0 "[ . 1 . 2]" 2
627 2 29 CYS H 2 29 CYS QB . . 3.230 2.334 2.193 2.410 . 0 0 "[ . 1 . 2]" 2
628 2 26 GLU QB 2 29 CYS H . . 5.500 5.347 5.264 5.446 . 0 0 "[ . 1 . 2]" 2
629 2 27 GLU HG3 2 29 CYS H . . 5.500 5.386 5.299 5.452 . 0 0 "[ . 1 . 2]" 2
630 2 28 ILE HB 2 29 CYS H . . 3.660 2.861 2.676 2.942 . 0 0 "[ . 1 . 2]" 2
631 2 29 CYS H 2 41 ILE MG . . 4.600 3.712 3.241 3.974 . 0 0 "[ . 1 . 2]" 2
632 2 28 ILE MG 2 29 CYS H . . 3.520 3.417 3.219 3.503 . 0 0 "[ . 1 . 2]" 2
633 2 59 TRP QB 2 60 HIS H . . 3.810 2.454 2.391 2.533 . 0 0 "[ . 1 . 2]" 2
634 2 60 HIS H 2 60 HIS HB2 . . 3.680 2.332 2.309 2.385 . 0 0 "[ . 1 . 2]" 2
635 2 60 HIS H 2 60 HIS HB3 . . 3.680 3.554 3.544 3.570 . 0 0 "[ . 1 . 2]" 2
636 2 60 HIS H 2 61 VAL HB . . 5.060 4.993 4.920 5.065 0.005 2 0 "[ . 1 . 2]" 2
637 2 52 ILE MD 2 60 HIS H . . 5.360 4.674 4.498 4.847 . 0 0 "[ . 1 . 2]" 2
638 2 31 LYS HB2 2 32 SER H . . 4.770 3.332 3.030 3.689 . 0 0 "[ . 1 . 2]" 2
639 2 54 ARG QB 2 55 SER H . . 4.650 2.717 2.558 3.585 . 0 0 "[ . 1 . 2]" 2
640 2 54 ARG H 2 55 SER H . . 4.290 2.635 2.582 2.735 . 0 0 "[ . 1 . 2]" 2
641 2 55 SER H 2 57 GLY H . . 4.780 4.072 4.029 4.210 . 0 0 "[ . 1 . 2]" 2
642 2 43 GLU H 2 44 ASN H . . 3.600 2.828 2.776 2.907 . 0 0 "[ . 1 . 2]" 2
643 2 39 GLU QG 2 44 ASN H . . 5.500 3.997 3.523 5.641 0.141 9 0 "[ . 1 . 2]" 2
644 2 43 GLU HG3 2 44 ASN H . . 5.500 5.017 4.823 5.171 . 0 0 "[ . 1 . 2]" 2
645 2 44 ASN H 2 45 LYS HG2 . . 5.220 4.572 4.325 4.754 . 0 0 "[ . 1 . 2]" 2
646 2 39 GLU QB 2 44 ASN H . . 5.500 5.127 3.870 5.398 . 0 0 "[ . 1 . 2]" 2
647 2 43 GLU HG2 2 44 ASN H . . 5.500 5.062 4.871 5.325 . 0 0 "[ . 1 . 2]" 2
648 2 82 ARG HA 2 84 SER H . . 4.780 3.436 3.289 3.621 . 0 0 "[ . 1 . 2]" 2
649 2 82 ARG H 2 84 SER H . . 4.740 4.213 4.147 4.265 . 0 0 "[ . 1 . 2]" 2
650 2 84 SER H 2 86 ALA H . . 5.090 4.478 4.277 4.661 . 0 0 "[ . 1 . 2]" 2
651 2 84 SER H 2 84 SER QB . . 3.620 2.317 2.211 2.499 . 0 0 "[ . 1 . 2]" 2
652 2 84 SER H 2 87 LYS HB2 . . 4.210 4.057 3.796 4.247 0.037 12 0 "[ . 1 . 2]" 2
653 2 102 LEU H 2 103 SER H . . 3.280 2.542 2.514 2.569 . 0 0 "[ . 1 . 2]" 2
654 2 103 SER H 2 104 LYS H . . 3.480 2.645 2.582 2.696 . 0 0 "[ . 1 . 2]" 2
655 2 101 THR H 2 103 SER H . . 4.430 3.999 3.939 4.045 . 0 0 "[ . 1 . 2]" 2
656 2 103 SER H 2 103 SER HA . . 2.850 2.860 2.848 2.879 0.029 17 0 "[ . 1 . 2]" 2
657 2 103 SER H 2 104 LYS QB . . 4.560 4.552 4.411 4.633 0.073 9 0 "[ . 1 . 2]" 2
658 2 102 LEU QB 2 103 SER H . . 3.410 2.922 2.839 3.029 . 0 0 "[ . 1 . 2]" 2
659 2 8 LEU QD 2 103 SER H . . 4.370 4.055 3.856 4.133 . 0 0 "[ . 1 . 2]" 2
660 2 99 VAL QG 2 103 SER H . . 4.420 4.085 3.963 4.244 . 0 0 "[ . 1 . 2]" 2
661 2 102 LEU QD 2 103 SER H . . 4.200 4.219 4.004 4.293 0.093 7 0 "[ . 1 . 2]" 2
662 2 82 ARG H 2 83 ASP H . . 3.490 2.590 2.502 2.664 . 0 0 "[ . 1 . 2]" 2
663 2 83 ASP H 2 84 SER H . . 3.400 2.434 2.357 2.515 . 0 0 "[ . 1 . 2]" 2
664 2 81 PRO HA 2 83 ASP H . . 4.060 3.813 3.679 3.914 . 0 0 "[ . 1 . 2]" 2
665 2 46 THR HB 2 83 ASP H . . 5.260 5.132 4.868 5.366 0.106 11 0 "[ . 1 . 2]" 2
666 2 83 ASP H 2 84 SER QB . . 4.520 4.199 4.000 4.549 0.029 8 0 "[ . 1 . 2]" 2
667 2 83 ASP H 2 87 LYS HB2 . . 5.250 5.181 4.906 5.366 0.116 12 0 "[ . 1 . 2]" 2
668 2 82 ARG HG3 2 83 ASP H . . 4.940 4.341 3.100 4.825 . 0 0 "[ . 1 . 2]" 2
669 2 46 THR MG 2 83 ASP H . . 3.570 3.670 3.579 3.749 0.179 5 0 "[ . 1 . 2]" 2
670 2 44 ASN HA 2 44 ASN HD21 . . 4.280 3.823 3.506 4.522 0.242 5 0 "[ . 1 . 2]" 2
671 2 107 SER H 2 110 LYS H . . 5.150 4.825 4.775 4.881 . 0 0 "[ . 1 . 2]" 2
672 2 12 LEU QD 2 107 SER H . . 5.500 5.328 5.248 5.414 . 0 0 "[ . 1 . 2]" 2
673 2 105 ALA H 2 107 SER H . . 4.380 4.061 3.997 4.154 . 0 0 "[ . 1 . 2]" 2
674 2 106 TRP H 2 107 SER H . . 3.180 2.525 2.470 2.593 . 0 0 "[ . 1 . 2]" 2
675 2 107 SER H 2 109 VAL H . . 4.340 4.152 4.100 4.217 . 0 0 "[ . 1 . 2]" 2
676 2 107 SER H 2 108 VAL H . . 3.350 2.657 2.622 2.691 . 0 0 "[ . 1 . 2]" 2
677 2 107 SER H 2 107 SER HA . . 2.910 2.850 2.839 2.861 . 0 0 "[ . 1 . 2]" 2
678 2 105 ALA HA 2 107 SER H . . 4.730 4.395 4.343 4.455 . 0 0 "[ . 1 . 2]" 2
679 2 106 TRP HB3 2 107 SER H . . 3.390 2.742 2.690 2.797 . 0 0 "[ . 1 . 2]" 2
680 2 107 SER H 2 108 VAL HB . . 5.130 4.841 4.704 5.044 . 0 0 "[ . 1 . 2]" 2
681 2 107 SER H 2 108 VAL QG . . 4.300 4.037 3.893 4.164 . 0 0 "[ . 1 . 2]" 2
682 2 105 ALA MB 2 107 SER H . . 5.290 4.550 4.499 4.638 . 0 0 "[ . 1 . 2]" 2
683 2 8 LEU QD 2 107 SER H . . 4.930 4.644 4.498 4.919 . 0 0 "[ . 1 . 2]" 2
684 2 44 ASN HA 2 44 ASN HD22 . . 4.280 2.685 1.858 4.353 0.073 5 0 "[ . 1 . 2]" 2
685 2 51 ASN HA 2 51 ASN HD21 . . 4.420 3.737 3.449 4.464 0.044 7 0 "[ . 1 . 2]" 2
686 2 16 ASP H 2 18 GLY H . . 5.500 4.994 4.821 5.283 . 0 0 "[ . 1 . 2]" 2
687 2 18 GLY H 2 19 LYS HA . . 5.170 5.198 5.141 5.246 0.076 4 0 "[ . 1 . 2]" 2
688 2 18 GLY H 2 19 LYS QB . . 4.950 4.842 4.606 4.998 0.048 10 0 "[ . 1 . 2]" 2
689 2 17 SER H 2 18 GLY H . . 3.680 2.432 2.381 2.483 . 0 0 "[ . 1 . 2]" 2
690 2 18 GLY H 2 19 LYS QE . . 4.920 4.936 4.873 4.992 0.072 16 0 "[ . 1 . 2]" 2
691 2 16 ASP QB 2 18 GLY H . . 3.940 2.907 2.716 3.207 . 0 0 "[ . 1 . 2]" 2
692 2 18 GLY H 2 19 LYS QG . . 4.330 3.935 3.689 4.316 . 0 0 "[ . 1 . 2]" 2
693 2 49 ASP QB 2 50 VAL H . . 3.170 2.556 2.470 2.636 . 0 0 "[ . 1 . 2]" 2
694 2 47 TYR HA 2 50 VAL H . . 3.760 3.721 3.492 3.806 0.046 14 0 "[ . 1 . 2]" 2
695 2 50 VAL H 2 50 VAL HB . . 3.780 3.715 3.678 3.733 . 0 0 "[ . 1 . 2]" 2
696 2 50 VAL H 2 50 VAL MG1 . . 3.330 2.803 2.743 2.882 . 0 0 "[ . 1 . 2]" 2
697 2 50 VAL H 2 52 ILE MG . . 4.300 3.731 3.674 3.793 . 0 0 "[ . 1 . 2]" 2
698 2 95 GLN HE22 2 95 GLN QG . . 3.830 2.260 2.156 2.852 . 0 0 "[ . 1 . 2]" 2
699 2 95 GLN QB 2 95 GLN HE22 . . 5.010 3.728 1.703 3.933 . 0 0 "[ . 1 . 2]" 2
700 2 95 GLN HE22 2 99 VAL QG . . 5.500 4.933 3.123 5.179 . 0 0 "[ . 1 . 2]" 2
701 2 95 GLN HE21 2 99 VAL QG . . 5.500 5.415 3.164 5.609 0.109 13 0 "[ . 1 . 2]" 2
702 2 17 SER H 2 71 THR H . . 4.570 3.050 2.770 3.219 . 0 0 "[ . 1 . 2]" 2
703 2 70 VAL H 2 71 THR H . . 4.640 4.635 4.583 4.663 0.023 1 0 "[ . 1 . 2]" 2
704 2 16 ASP H 2 71 THR H . . 5.090 5.035 4.864 5.153 0.063 15 0 "[ . 1 . 2]" 2
705 2 16 ASP HA 2 71 THR H . . 3.980 2.563 2.420 2.647 . 0 0 "[ . 1 . 2]" 2
706 2 70 VAL HA 2 71 THR H . . 4.500 2.253 2.207 2.295 . 0 0 "[ . 1 . 2]" 2
707 2 66 MET HA 2 71 THR H . . 5.330 5.314 5.100 5.428 0.098 7 0 "[ . 1 . 2]" 2
708 2 16 ASP QB 2 71 THR H . . 3.740 3.276 3.136 3.363 . 0 0 "[ . 1 . 2]" 2
709 2 71 THR H 2 71 THR MG . . 4.440 3.949 3.913 4.009 . 0 0 "[ . 1 . 2]" 2
710 2 71 THR H 2 72 ASP HB2 . . 5.010 4.338 4.066 4.989 . 0 0 "[ . 1 . 2]" 2
711 2 29 CYS H 2 30 THR H . . 3.250 2.591 2.517 2.662 . 0 0 "[ . 1 . 2]" 2
712 2 30 THR H 2 31 LYS H . . 2.880 2.340 2.247 2.504 . 0 0 "[ . 1 . 2]" 2
713 2 26 GLU HA 2 30 THR H . . 4.760 4.644 4.468 4.940 0.180 8 0 "[ . 1 . 2]" 2
714 2 27 GLU HA 2 30 THR H . . 4.380 4.060 3.871 4.239 . 0 0 "[ . 1 . 2]" 2
715 2 29 CYS QB 2 30 THR H . . 3.610 3.148 2.982 3.231 . 0 0 "[ . 1 . 2]" 2
716 2 30 THR H 2 31 LYS QD . . 5.500 5.136 4.791 5.344 . 0 0 "[ . 1 . 2]" 2
717 2 28 ILE HA 2 30 THR H . . 4.690 3.959 3.779 4.142 . 0 0 "[ . 1 . 2]" 2
718 2 27 GLU QB 2 30 THR H . . 5.500 5.430 5.293 5.546 0.046 13 0 "[ . 1 . 2]" 2
719 2 30 THR H 2 30 THR MG . . 3.010 1.941 1.906 1.995 . 0 0 "[ . 1 . 2]" 2
720 2 57 GLY H 2 58 ASP H . . 4.010 2.713 2.650 2.755 . 0 0 "[ . 1 . 2]" 2
721 2 54 ARG HA 2 57 GLY H . . 5.450 3.529 3.187 3.628 . 0 0 "[ . 1 . 2]" 2
722 2 56 ARG HB2 2 57 GLY H . . 4.220 2.905 2.830 2.999 . 0 0 "[ . 1 . 2]" 2
723 2 45 LYS H 2 46 THR H . . 4.370 4.364 4.276 4.411 0.041 8 0 "[ . 1 . 2]" 2
724 2 40 ILE HA 2 46 THR H . . 5.070 4.838 4.624 5.001 . 0 0 "[ . 1 . 2]" 2
725 2 46 THR H 2 49 ASP QB . . 3.690 3.715 3.067 3.835 0.145 16 0 "[ . 1 . 2]" 2
726 2 46 THR H 2 48 ALA MB . . 3.990 3.893 3.344 4.031 0.041 7 0 "[ . 1 . 2]" 2
727 2 46 THR H 2 50 VAL MG2 . . 5.500 5.547 5.508 5.656 0.156 9 0 "[ . 1 . 2]" 2
728 2 40 ILE MG 2 46 THR H . . 4.930 4.841 4.558 5.094 0.164 9 0 "[ . 1 . 2]" 2
729 2 46 THR H 2 50 VAL H . . 5.500 5.570 5.463 5.599 0.099 19 0 "[ . 1 . 2]" 2
730 2 46 THR H 2 46 THR HB . . 3.790 3.519 3.425 3.579 . 0 0 "[ . 1 . 2]" 2
731 2 66 MET H 2 69 GLY H . . 5.500 5.065 4.966 5.198 . 0 0 "[ . 1 . 2]" 2
732 2 69 GLY H 2 70 VAL H . . 2.920 2.670 2.620 2.720 . 0 0 "[ . 1 . 2]" 2
733 2 67 LYS H 2 69 GLY H . . 4.150 3.852 3.792 3.921 . 0 0 "[ . 1 . 2]" 2
734 2 68 HIS H 2 69 GLY H . . 3.150 2.632 2.588 2.674 . 0 0 "[ . 1 . 2]" 2
735 2 68 HIS HA 2 69 GLY H . . 3.510 3.316 3.288 3.346 . 0 0 "[ . 1 . 2]" 2
736 2 66 MET HA 2 69 GLY H . . 3.950 3.290 3.135 3.430 . 0 0 "[ . 1 . 2]" 2
737 2 68 HIS HB2 2 69 GLY H . . 4.070 3.673 3.618 3.724 . 0 0 "[ . 1 . 2]" 2
738 2 67 LYS HB3 2 69 GLY H . . 5.390 5.040 4.951 5.093 . 0 0 "[ . 1 . 2]" 2
739 2 16 ASP QB 2 72 ASP H . . 5.500 2.605 2.399 2.857 . 0 0 "[ . 1 . 2]" 2
740 2 13 VAL MG2 2 16 ASP QB . . 4.640 3.613 3.496 3.797 . 0 0 "[ . 1 . 2]" 2
741 2 16 ASP QB 2 71 THR MG . . 4.190 3.852 3.630 4.042 . 0 0 "[ . 1 . 2]" 2
742 2 98 PHE HE1 2 102 LEU QB . . 5.190 4.987 4.909 5.097 . 0 0 "[ . 1 . 2]" 2
743 2 15 ARG HD3 2 106 TRP HZ2 . . 4.070 4.019 3.867 4.303 0.233 18 0 "[ . 1 . 2]" 2
744 2 79 LEU HB3 2 79 LEU QD . . 2.930 2.136 2.118 2.156 . 0 0 "[ . 1 . 2]" 2
745 2 78 GLU H 2 79 LEU HB3 . . 5.310 4.988 4.801 5.091 . 0 0 "[ . 1 . 2]" 2
746 2 98 PHE HD1 2 102 LEU QB . . 5.500 5.141 5.065 5.234 . 0 0 "[ . 1 . 2]" 2
747 2 101 THR HB 2 102 LEU QB . . 4.680 4.376 4.257 4.549 . 0 0 "[ . 1 . 2]" 2
748 2 76 ILE MG 2 102 LEU QB . . 4.990 4.247 4.056 4.442 . 0 0 "[ . 1 . 2]" 2
749 2 72 ASP H 2 72 ASP HB3 . . 3.970 2.539 2.150 3.567 . 0 0 "[ . 1 . 2]" 2
750 2 72 ASP HB3 2 73 PRO QD . . 4.950 4.144 4.107 4.187 . 0 0 "[ . 1 . 2]" 2
751 2 13 VAL MG2 2 72 ASP HB3 . . 4.510 4.030 3.886 4.282 . 0 0 "[ . 1 . 2]" 2
752 2 71 THR H 2 72 ASP HB3 . . 5.500 3.762 3.574 4.078 . 0 0 "[ . 1 . 2]" 2
753 2 110 LYS HA 2 113 LEU QB . . 4.310 4.180 4.127 4.235 . 0 0 "[ . 1 . 2]" 2
754 2 113 LEU QB 2 113 LEU QD . . 2.860 1.886 1.875 1.891 . 0 0 "[ . 1 . 2]" 2
755 2 112 TYR H 2 113 LEU QB . . 4.980 4.776 4.731 4.865 . 0 0 "[ . 1 . 2]" 2
756 2 51 ASN H 2 52 ILE HB . . 5.500 4.984 4.827 5.076 . 0 0 "[ . 1 . 2]" 2
757 2 52 ILE HB 2 57 GLY H . . 5.500 5.572 5.539 5.607 0.107 6 0 "[ . 1 . 2]" 2
758 2 24 ILE H 2 25 LYS QE . . 5.500 5.054 4.710 5.204 . 0 0 "[ . 1 . 2]" 2
759 2 45 LYS H 2 45 LYS HE3 . . 5.500 5.460 5.099 5.759 0.259 16 0 "[ . 1 . 2]" 2
760 2 16 ASP QB 2 72 ASP HB3 . . 3.610 3.318 2.834 3.666 0.056 12 0 "[ . 1 . 2]" 2
761 2 72 ASP HB3 2 75 LYS H . . 4.880 4.007 3.692 4.399 . 0 0 "[ . 1 . 2]" 2
762 2 45 LYS HG2 2 49 ASP QB . . 4.230 3.646 3.542 3.939 . 0 0 "[ . 1 . 2]" 2
763 2 48 ALA MB 2 49 ASP QB . . 4.340 4.134 4.087 4.165 . 0 0 "[ . 1 . 2]" 2
764 2 14 LYS QE 2 15 ARG HA . . 5.500 5.084 4.115 5.522 0.022 7 0 "[ . 1 . 2]" 2
765 2 23 LYS QE 2 27 GLU HA . . 5.350 5.319 5.084 5.393 0.043 6 0 "[ . 1 . 2]" 2
766 2 10 LYS QD 2 10 LYS QE . . 2.400 2.118 2.105 2.122 . 0 0 "[ . 1 . 2]" 2
767 2 25 LYS QE 2 43 GLU H . . 5.030 4.846 4.555 5.065 0.035 13 0 "[ . 1 . 2]" 2
768 2 10 LYS H 2 10 LYS QE . . 4.220 3.839 3.531 3.998 . 0 0 "[ . 1 . 2]" 2
769 2 22 GLU HA 2 25 LYS QE . . 3.820 3.794 3.648 3.866 0.046 16 0 "[ . 1 . 2]" 2
770 2 111 LYS H 2 111 LYS QE . . 5.000 4.394 3.518 4.780 . 0 0 "[ . 1 . 2]" 2
771 2 25 LYS QE 2 43 GLU HA . . 5.410 5.470 5.403 5.556 0.146 18 0 "[ . 1 . 2]" 2
772 2 111 LYS QE 2 111 LYS QG . . 2.930 2.450 2.303 2.859 . 0 0 "[ . 1 . 2]" 2
773 2 59 TRP HA 2 63 LEU HB2 . . 5.480 5.490 5.389 5.573 0.093 12 0 "[ . 1 . 2]" 2
774 2 45 LYS H 2 49 ASP QB . . 5.480 5.127 4.941 5.280 . 0 0 "[ . 1 . 2]" 2
775 2 49 ASP QB 2 50 VAL MG1 . . 4.220 2.710 2.629 2.878 . 0 0 "[ . 1 . 2]" 2
776 2 31 LYS H 2 31 LYS QE . . 4.880 4.480 4.081 4.641 . 0 0 "[ . 1 . 2]" 2
777 2 106 TRP HZ2 2 110 LYS QE . . 4.640 3.587 2.874 4.914 0.274 1 0 "[ . 1 . 2]" 2
778 2 110 LYS QE 2 110 LYS HG2 . . 3.520 3.250 2.507 3.524 0.004 15 0 "[ . 1 . 2]" 2
779 2 74 ASP H 2 77 LEU QB . . 5.500 5.128 4.842 5.340 . 0 0 "[ . 1 . 2]" 2
780 2 76 ILE H 2 77 LEU QB . . 4.650 4.295 4.234 4.379 . 0 0 "[ . 1 . 2]" 2
781 2 73 PRO HA 2 77 LEU QB . . 5.500 4.985 4.810 5.134 . 0 0 "[ . 1 . 2]" 2
782 2 76 ILE HA 2 77 LEU QB . . 5.500 5.170 5.151 5.194 . 0 0 "[ . 1 . 2]" 2
783 2 77 LEU QB 2 78 GLU HA . . 4.480 4.301 4.251 4.355 . 0 0 "[ . 1 . 2]" 2
784 2 77 LEU QB 2 77 LEU MD2 . . 3.240 2.148 2.134 2.160 . 0 0 "[ . 1 . 2]" 2
785 2 67 LYS H 2 67 LYS HE3 . . 5.500 4.996 4.320 5.215 . 0 0 "[ . 1 . 2]" 2
786 2 67 LYS HE3 2 112 TYR HE2 . . 5.500 4.877 4.143 5.099 . 0 0 "[ . 1 . 2]" 2
787 2 28 ILE MG 2 29 CYS QB . . 5.100 4.370 3.916 4.568 . 0 0 "[ . 1 . 2]" 2
788 2 8 LEU HB3 2 9 ARG H . . 4.190 3.047 2.595 3.265 . 0 0 "[ . 1 . 2]" 2
789 2 8 LEU H 2 8 LEU HB3 . . 3.610 3.394 2.460 3.477 . 0 0 "[ . 1 . 2]" 2
790 2 25 LYS HG2 2 29 CYS QB . . 5.500 4.917 4.218 5.262 . 0 0 "[ . 1 . 2]" 2
791 2 29 CYS QB 2 41 ILE MG . . 5.010 4.041 2.753 4.542 . 0 0 "[ . 1 . 2]" 2
792 2 58 ASP QB 2 97 TYR HE2 . . 5.500 4.670 4.268 5.040 . 0 0 "[ . 1 . 2]" 2
793 2 58 ASP QB 2 101 THR MG . . 4.340 3.364 3.259 3.458 . 0 0 "[ . 1 . 2]" 2
794 2 58 ASP QB 2 62 ILE MD . . 4.030 2.819 2.787 2.871 . 0 0 "[ . 1 . 2]" 2
795 2 58 ASP QB 2 62 ILE MG . . 5.500 5.268 5.226 5.313 . 0 0 "[ . 1 . 2]" 2
796 2 65 LEU HB3 2 66 MET H . . 4.340 4.255 4.221 4.290 . 0 0 "[ . 1 . 2]" 2
797 2 65 LEU H 2 65 LEU HB3 . . 4.020 2.609 2.566 2.652 . 0 0 "[ . 1 . 2]" 2
798 2 24 ILE MG 2 65 LEU HB3 . . 3.620 3.356 3.158 3.636 0.016 9 0 "[ . 1 . 2]" 2
799 2 74 ASP H 2 74 ASP HB2 . . 3.660 2.469 2.360 2.533 . 0 0 "[ . 1 . 2]" 2
800 2 74 ASP HB2 2 75 LYS H . . 4.180 3.153 2.885 3.972 . 0 0 "[ . 1 . 2]" 2
801 2 97 TYR HD2 2 98 PHE HB3 . . 5.100 4.453 4.369 4.538 . 0 0 "[ . 1 . 2]" 2
802 2 98 PHE H 2 98 PHE HB3 . . 4.160 2.121 2.081 2.168 . 0 0 "[ . 1 . 2]" 2
803 2 98 PHE HB3 2 99 VAL H . . 4.440 2.867 2.760 2.923 . 0 0 "[ . 1 . 2]" 2
804 2 86 ALA MB 2 98 PHE HB3 . . 5.640 5.660 5.590 5.703 0.063 5 0 "[ . 1 . 2]" 2
805 2 12 LEU HB2 2 72 ASP HA . . 4.670 3.393 3.117 3.534 . 0 0 "[ . 1 . 2]" 2
806 2 64 TYR QB 2 65 LEU MD2 . . 4.770 4.304 4.231 4.353 . 0 0 "[ . 1 . 2]" 2
807 2 64 TYR QB 2 65 LEU HA . . 4.350 4.265 4.243 4.283 . 0 0 "[ . 1 . 2]" 2
808 2 37 ILE MD 2 64 TYR QB . . 3.640 2.283 2.037 2.443 . 0 0 "[ . 1 . 2]" 2
809 2 28 ILE HB 2 29 CYS HA . . 5.500 4.474 4.373 4.547 . 0 0 "[ . 1 . 2]" 2
810 2 27 GLU HG3 2 28 ILE HB . . 5.500 4.390 4.293 4.457 . 0 0 "[ . 1 . 2]" 2
811 2 28 ILE HB 2 64 TYR HE2 . . 5.000 4.589 4.430 4.922 . 0 0 "[ . 1 . 2]" 2
812 2 24 ILE HA 2 28 ILE HB . . 5.500 4.871 4.605 5.062 . 0 0 "[ . 1 . 2]" 2
813 2 28 ILE HB 2 41 ILE MG . . 3.590 2.138 2.039 2.211 . 0 0 "[ . 1 . 2]" 2
814 2 28 ILE HB 2 28 ILE MD . . 3.520 2.364 2.329 2.389 . 0 0 "[ . 1 . 2]" 2
815 2 94 THR HB 2 97 TYR QB . . 5.500 5.364 5.186 5.539 0.039 8 0 "[ . 1 . 2]" 2
816 2 97 TYR QB 2 101 THR HB . . 5.500 5.517 5.411 5.572 0.072 19 0 "[ . 1 . 2]" 2
817 2 75 LYS H 2 76 ILE HB . . 4.900 4.528 4.282 4.717 . 0 0 "[ . 1 . 2]" 2
818 2 76 ILE HB 2 76 ILE MD . . 3.390 2.917 2.276 3.251 . 0 0 "[ . 1 . 2]" 2
819 2 92 TRP HZ3 2 97 TYR QB . . 4.580 2.797 2.597 3.046 . 0 0 "[ . 1 . 2]" 2
820 2 109 VAL HA 2 112 TYR QB . . 4.080 2.304 2.197 2.399 . 0 0 "[ . 1 . 2]" 2
821 2 111 LYS QB 2 112 TYR QB . . 4.870 4.849 4.804 4.881 0.011 10 0 "[ . 1 . 2]" 2
822 2 112 TYR QB 2 113 LEU QB . . 5.040 4.398 4.316 4.579 . 0 0 "[ . 1 . 2]" 2
823 2 23 LYS H 2 24 ILE HB . . 4.470 4.375 4.290 4.458 . 0 0 "[ . 1 . 2]" 2
824 2 24 ILE HB 2 26 GLU H . . 5.190 4.837 4.803 4.870 . 0 0 "[ . 1 . 2]" 2
825 2 76 ILE HB 2 102 LEU QD . . 4.820 2.426 2.247 2.547 . 0 0 "[ . 1 . 2]" 2
826 2 99 VAL H 2 100 ILE HB . . 5.500 4.607 4.568 4.635 . 0 0 "[ . 1 . 2]" 2
827 2 100 ILE H 2 100 ILE HB . . 3.530 2.236 2.219 2.259 . 0 0 "[ . 1 . 2]" 2
828 2 99 VAL QG 2 100 ILE HB . . 4.930 4.535 4.460 4.645 . 0 0 "[ . 1 . 2]" 2
829 2 40 ILE HB 2 41 ILE QG . . 4.090 3.300 3.065 3.494 . 0 0 "[ . 1 . 2]" 2
830 2 37 ILE MD 2 40 ILE HB . . 5.130 3.108 2.532 3.819 . 0 0 "[ . 1 . 2]" 2
831 2 62 ILE HB 2 101 THR MG . . 4.350 3.873 3.705 4.000 . 0 0 "[ . 1 . 2]" 2
832 2 62 ILE HB 2 102 LEU QD . . 5.000 4.809 4.474 4.950 . 0 0 "[ . 1 . 2]" 2
833 2 51 ASN H 2 51 ASN HB2 . . 3.980 3.370 2.955 3.594 . 0 0 "[ . 1 . 2]" 2
834 2 4 GLU QG 2 7 GLU H . . 5.500 5.367 5.174 5.685 0.185 6 0 "[ . 1 . 2]" 2
835 2 1 THR HA 2 4 GLU QG . . 5.000 3.217 2.775 3.968 . 0 0 "[ . 1 . 2]" 2
836 2 40 ILE HB 2 41 ILE HA . . 5.080 4.400 4.151 4.657 . 0 0 "[ . 1 . 2]" 2
837 2 24 ILE HA 2 27 GLU HG2 . . 4.420 2.721 2.448 2.844 . 0 0 "[ . 1 . 2]" 2
838 2 23 LYS QE 2 27 GLU HG2 . . 5.500 5.215 4.957 5.335 . 0 0 "[ . 1 . 2]" 2
839 2 27 GLU HG2 2 31 LYS QE . . 5.500 5.143 4.597 5.547 0.047 7 0 "[ . 1 . 2]" 2
840 2 27 GLU H 2 27 GLU HG2 . . 3.550 2.223 2.182 2.298 . 0 0 "[ . 1 . 2]" 2
841 2 27 GLU HG2 2 28 ILE H . . 3.980 2.601 2.538 2.655 . 0 0 "[ . 1 . 2]" 2
842 2 27 GLU HA 2 27 GLU HG2 . . 3.800 3.722 3.702 3.745 . 0 0 "[ . 1 . 2]" 2
843 2 26 GLU H 2 27 GLU HG2 . . 5.030 4.249 4.142 4.321 . 0 0 "[ . 1 . 2]" 2
844 2 21 VAL H 2 22 GLU QG . . 4.860 4.059 3.988 4.224 . 0 0 "[ . 1 . 2]" 2
845 2 22 GLU QG 2 24 ILE H . . 4.750 4.475 4.441 4.501 . 0 0 "[ . 1 . 2]" 2
846 2 22 GLU QG 2 23 LYS H . . 3.520 2.542 2.502 2.565 . 0 0 "[ . 1 . 2]" 2
847 2 3 VAL HA 2 6 GLU QG . . 3.520 3.628 3.570 3.711 0.191 13 0 "[ . 1 . 2]" 2
848 2 21 VAL HA 2 22 GLU QG . . 5.490 5.001 4.959 5.079 . 0 0 "[ . 1 . 2]" 2
849 2 22 GLU QG 2 23 LYS QE . . 4.590 4.451 4.267 4.638 0.048 13 0 "[ . 1 . 2]" 2
850 2 22 GLU QB 2 22 GLU QG . . 2.400 2.116 2.113 2.120 . 0 0 "[ . 1 . 2]" 2
851 2 22 GLU QG 2 23 LYS HG2 . . 3.980 2.411 2.339 2.491 . 0 0 "[ . 1 . 2]" 2
852 2 2 VAL QG 2 6 GLU QG . . 5.110 4.768 4.409 5.014 . 0 0 "[ . 1 . 2]" 2
853 2 20 PRO HG2 2 22 GLU QG . . 2.400 2.140 2.091 2.206 . 0 0 "[ . 1 . 2]" 2
854 2 6 GLU H 2 6 GLU QG . . 3.950 3.924 3.900 3.956 0.006 5 0 "[ . 1 . 2]" 2
855 2 6 GLU QG 2 10 LYS QE . . 5.230 5.290 5.236 5.322 0.092 18 0 "[ . 1 . 2]" 2
856 2 7 GLU HG3 2 8 LEU H . . 4.770 3.696 2.639 4.950 0.180 5 0 "[ . 1 . 2]" 2
857 2 22 GLU HA 2 22 GLU QG . . 3.350 3.330 3.324 3.334 . 0 0 "[ . 1 . 2]" 2
858 2 40 ILE H 2 41 ILE HB . . 5.500 4.607 4.462 4.717 . 0 0 "[ . 1 . 2]" 2
859 2 87 LYS HB3 2 88 GLU H . . 4.880 2.819 2.522 3.134 . 0 0 "[ . 1 . 2]" 2
860 2 85 LYS HA 2 87 LYS HB3 . . 4.720 4.061 3.866 4.233 . 0 0 "[ . 1 . 2]" 2
861 2 63 LEU HA 2 66 MET HB2 . . 5.070 2.585 2.362 2.905 . 0 0 "[ . 1 . 2]" 2
862 2 65 LEU HG 2 66 MET HB2 . . 4.670 4.443 4.192 4.564 . 0 0 "[ . 1 . 2]" 2
863 2 62 ILE MG 2 66 MET HB2 . . 4.690 4.254 4.099 4.320 . 0 0 "[ . 1 . 2]" 2
864 2 46 THR MG 2 81 PRO HB3 . . 3.940 3.214 2.924 3.606 . 0 0 "[ . 1 . 2]" 2
865 2 95 GLN QG 2 96 LYS H . . 4.350 2.382 2.345 2.431 . 0 0 "[ . 1 . 2]" 2
866 2 95 GLN QG 2 96 LYS HA . . 4.510 3.320 3.221 4.194 . 0 0 "[ . 1 . 2]" 2
867 2 95 GLN QG 2 96 LYS QB . . 3.400 3.196 3.150 3.442 0.042 14 0 "[ . 1 . 2]" 2
868 2 19 LYS QB 2 20 PRO HD2 . . 4.400 2.380 2.271 2.545 . 0 0 "[ . 1 . 2]" 2
869 2 19 LYS QB 2 19 LYS QE . . 4.440 2.766 1.950 3.889 . 0 0 "[ . 1 . 2]" 2
870 2 19 LYS QB 2 24 ILE H . . 4.990 4.752 4.400 5.034 0.044 8 0 "[ . 1 . 2]" 2
871 2 19 LYS QB 2 23 LYS HG2 . . 3.320 3.391 3.332 3.456 0.136 17 0 "[ . 1 . 2]" 2
872 2 73 PRO QB 2 77 LEU H . . 5.500 4.366 4.246 4.490 . 0 0 "[ . 1 . 2]" 2
873 2 72 ASP HA 2 73 PRO QB . . 4.840 4.570 4.505 4.630 . 0 0 "[ . 1 . 2]" 2
874 2 73 PRO QB 2 102 LEU QD . . 4.100 1.967 1.879 2.036 . 0 0 "[ . 1 . 2]" 2
875 2 73 PRO QB 2 75 LYS H . . 5.080 4.938 4.787 5.070 . 0 0 "[ . 1 . 2]" 2
876 2 73 PRO QB 2 98 PHE HE2 . . 4.250 2.239 2.058 2.326 . 0 0 "[ . 1 . 2]" 2
877 2 73 PRO QB 2 77 LEU QB . . 4.090 4.096 3.960 4.185 0.095 14 0 "[ . 1 . 2]" 2
878 2 25 LYS HB3 2 25 LYS QE . . 4.310 1.889 1.831 1.948 . 0 0 "[ . 1 . 2]" 2
879 2 25 LYS HB3 2 26 GLU H . . 4.140 4.230 4.195 4.255 0.115 20 0 "[ . 1 . 2]" 2
880 2 13 VAL H 2 14 LYS QB . . 4.630 4.524 4.445 4.601 . 0 0 "[ . 1 . 2]" 2
881 2 10 LYS HA 2 14 LYS QB . . 4.620 4.572 4.363 4.694 0.074 5 0 "[ . 1 . 2]" 2
882 2 14 LYS QB 2 14 LYS QE . . 3.580 2.478 1.886 3.745 0.165 10 0 "[ . 1 . 2]" 2
883 2 10 LYS QD 2 14 LYS QB . . 3.390 3.380 3.198 3.495 0.105 18 0 "[ . 1 . 2]" 2
884 2 19 LYS QB 2 23 LYS HB2 . . 3.190 2.246 2.086 2.327 . 0 0 "[ . 1 . 2]" 2
885 2 13 VAL MG2 2 14 LYS QB . . 5.420 5.387 5.326 5.434 0.014 18 0 "[ . 1 . 2]" 2
886 2 14 LYS QB 2 16 ASP H . . 5.020 4.984 4.933 5.031 0.011 6 0 "[ . 1 . 2]" 2
887 2 24 ILE H 2 25 LYS HB3 . . 5.230 5.288 5.231 5.332 0.102 18 0 "[ . 1 . 2]" 2
888 2 25 LYS HB3 2 41 ILE MG . . 4.010 2.774 2.504 2.893 . 0 0 "[ . 1 . 2]" 2
889 2 59 TRP HZ2 2 108 VAL HB . . 5.080 4.044 3.705 4.224 . 0 0 "[ . 1 . 2]" 2
890 2 31 LYS H 2 31 LYS HB2 . . 3.340 2.363 2.316 2.520 . 0 0 "[ . 1 . 2]" 2
891 2 22 GLU H 2 23 LYS HB2 . . 5.130 4.904 4.845 4.935 . 0 0 "[ . 1 . 2]" 2
892 2 23 LYS HB2 2 24 ILE H . . 3.870 3.119 3.071 3.156 . 0 0 "[ . 1 . 2]" 2
893 2 23 LYS H 2 23 LYS HB2 . . 3.350 2.439 2.375 2.472 . 0 0 "[ . 1 . 2]" 2
894 2 19 LYS HA 2 23 LYS HB2 . . 4.830 4.460 4.311 4.560 . 0 0 "[ . 1 . 2]" 2
895 2 23 LYS HB2 2 23 LYS QE . . 3.990 3.410 3.355 3.543 . 0 0 "[ . 1 . 2]" 2
896 2 22 GLU QG 2 23 LYS HB2 . . 4.870 4.075 4.004 4.112 . 0 0 "[ . 1 . 2]" 2
897 2 20 PRO HG2 2 23 LYS HB2 . . 3.900 3.891 3.705 3.952 0.052 12 0 "[ . 1 . 2]" 2
898 2 23 LYS HB2 2 23 LYS HG2 . . 2.970 2.448 2.430 2.467 . 0 0 "[ . 1 . 2]" 2
899 2 108 VAL HA 2 111 LYS QB . . 3.950 4.026 3.958 4.129 0.179 6 0 "[ . 1 . 2]" 2
900 2 50 VAL HB 2 52 ILE HB . . 4.780 3.443 3.285 3.628 . 0 0 "[ . 1 . 2]" 2
901 2 50 VAL HB 2 52 ILE MG . . 4.290 4.148 4.074 4.234 . 0 0 "[ . 1 . 2]" 2
902 2 21 VAL HB 2 22 GLU H . . 4.070 3.830 2.809 4.104 0.034 20 0 "[ . 1 . 2]" 2
903 2 21 VAL HB 2 24 ILE H . . 5.450 5.426 5.288 5.492 0.042 20 0 "[ . 1 . 2]" 2
904 2 29 CYS H 2 31 LYS HB2 . . 5.500 5.412 5.288 5.537 0.037 6 0 "[ . 1 . 2]" 2
905 2 12 LEU H 2 13 VAL HB . . 4.940 4.616 4.560 4.682 . 0 0 "[ . 1 . 2]" 2
906 2 30 THR H 2 31 LYS HB2 . . 5.500 4.452 4.344 4.663 . 0 0 "[ . 1 . 2]" 2
907 2 109 VAL HB 2 110 LYS H . . 3.860 2.746 2.615 3.843 . 0 0 "[ . 1 . 2]" 2
908 2 106 TRP HE3 2 109 VAL HB . . 4.550 2.911 2.557 4.399 . 0 0 "[ . 1 . 2]" 2
909 2 23 LYS HB2 2 24 ILE MD . . 3.280 2.638 2.445 2.772 . 0 0 "[ . 1 . 2]" 2
910 2 108 VAL H 2 109 VAL HB . . 5.130 4.719 4.636 4.817 . 0 0 "[ . 1 . 2]" 2
911 2 109 VAL HB 2 112 TYR HE2 . . 5.900 5.986 5.726 6.041 0.141 11 0 "[ . 1 . 2]" 2
912 2 111 LYS QB 2 111 LYS QE . . 3.900 1.930 1.868 1.986 . 0 0 "[ . 1 . 2]" 2
913 2 111 LYS QB 2 113 LEU H . . 5.320 5.068 4.988 5.180 . 0 0 "[ . 1 . 2]" 2
914 2 111 LYS QB 2 114 GLU H . . 5.500 4.772 4.739 4.804 . 0 0 "[ . 1 . 2]" 2
915 2 40 ILE MG 2 61 VAL HB . . 3.420 2.454 2.325 2.602 . 0 0 "[ . 1 . 2]" 2
916 2 62 ILE HG12 2 76 ILE MD . . 4.230 2.819 2.201 4.077 . 0 0 "[ . 1 . 2]" 2
917 2 11 GLU H 2 13 VAL HB . . 5.500 5.409 5.101 5.513 0.013 2 0 "[ . 1 . 2]" 2
918 2 104 LYS QB 2 108 VAL H . . 5.500 5.103 4.864 5.508 0.008 20 0 "[ . 1 . 2]" 2
919 2 87 LYS H 2 88 GLU QB . . 5.130 4.542 4.374 4.697 . 0 0 "[ . 1 . 2]" 2
920 2 88 GLU H 2 88 GLU QB . . 3.740 2.581 2.469 2.706 . 0 0 "[ . 1 . 2]" 2
921 2 99 VAL HB 2 100 ILE HA . . 4.650 4.525 4.475 4.587 . 0 0 "[ . 1 . 2]" 2
922 2 87 LYS QG 2 88 GLU QB . . 4.460 2.914 2.588 3.753 . 0 0 "[ . 1 . 2]" 2
923 2 98 PHE HD1 2 99 VAL HB . . 4.950 4.122 4.056 4.195 . 0 0 "[ . 1 . 2]" 2
924 2 104 LYS QB 2 104 LYS QE . . 4.070 2.125 1.885 3.614 . 0 0 "[ . 1 . 2]" 2
925 2 109 VAL H 2 110 LYS QB . . 4.730 4.669 4.563 4.736 0.006 16 0 "[ . 1 . 2]" 2
926 2 110 LYS QB 2 113 LEU H . . 5.120 4.809 4.769 4.865 . 0 0 "[ . 1 . 2]" 2
927 2 106 TRP HZ2 2 110 LYS QB . . 4.640 3.354 3.167 3.483 . 0 0 "[ . 1 . 2]" 2
928 2 110 LYS QB 2 111 LYS QB . . 4.830 4.848 4.784 4.923 0.093 1 0 "[ . 1 . 2]" 2
929 2 110 LYS QB 2 110 LYS QD . . 3.110 2.241 2.056 2.340 . 0 0 "[ . 1 . 2]" 2
930 2 110 LYS QB 2 110 LYS QE . . 4.130 2.387 1.955 3.639 . 0 0 "[ . 1 . 2]" 2
931 2 103 SER HA 2 106 TRP HB3 . . 4.880 3.059 2.949 3.186 . 0 0 "[ . 1 . 2]" 2
932 2 56 ARG HA 2 59 TRP QB . . 5.270 2.112 2.022 2.301 . 0 0 "[ . 1 . 2]" 2
933 2 12 LEU HG 2 106 TRP HB3 . . 5.500 5.276 5.130 5.368 . 0 0 "[ . 1 . 2]" 2
934 2 12 LEU QD 2 106 TRP HB3 . . 4.270 3.245 3.144 3.338 . 0 0 "[ . 1 . 2]" 2
935 2 8 LEU QD 2 106 TRP HB3 . . 4.630 2.859 2.725 2.996 . 0 0 "[ . 1 . 2]" 2
936 2 26 GLU QB 2 27 GLU H . . 3.220 2.738 2.681 2.797 . 0 0 "[ . 1 . 2]" 2
937 2 70 VAL HB 2 71 THR H . . 5.500 4.176 3.983 4.318 . 0 0 "[ . 1 . 2]" 2
938 2 17 SER H 2 70 VAL HB . . 5.500 5.448 5.103 5.577 0.077 11 0 "[ . 1 . 2]" 2
939 2 27 GLU QG 2 28 ILE MD . . 4.940 3.337 3.265 3.426 . 0 0 "[ . 1 . 2]" 2
940 2 15 ARG QB 2 16 ASP HA . . 4.660 4.069 3.894 4.214 . 0 0 "[ . 1 . 2]" 2
941 2 14 LYS HG3 2 15 ARG QB . . 3.770 3.717 3.640 3.809 0.039 2 0 "[ . 1 . 2]" 2
942 2 12 LEU QD 2 15 ARG QB . . 4.760 3.812 3.604 4.257 . 0 0 "[ . 1 . 2]" 2
943 2 12 LEU HA 2 15 ARG QB . . 4.000 3.027 2.693 3.632 . 0 0 "[ . 1 . 2]" 2
944 2 101 THR HB 2 102 LEU QD . . 5.050 4.157 2.407 4.618 . 0 0 "[ . 1 . 2]" 2
945 2 100 ILE H 2 101 THR HB . . 5.220 4.803 4.758 4.874 . 0 0 "[ . 1 . 2]" 2
946 2 97 TYR HA 2 101 THR HB . . 5.460 5.083 4.949 5.161 . 0 0 "[ . 1 . 2]" 2
947 2 62 ILE MD 2 101 THR HB . . 4.500 3.960 3.856 4.048 . 0 0 "[ . 1 . 2]" 2
948 2 39 GLU QB 2 41 ILE H . . 5.230 4.922 4.787 5.104 . 0 0 "[ . 1 . 2]" 2
949 2 4 GLU QB 2 7 GLU H . . 5.260 4.879 4.648 5.069 . 0 0 "[ . 1 . 2]" 2
950 2 4 GLU QB 2 8 LEU H . . 5.500 4.874 4.584 5.039 . 0 0 "[ . 1 . 2]" 2
951 2 1 THR HA 2 4 GLU QB . . 4.910 3.028 2.673 3.408 . 0 0 "[ . 1 . 2]" 2
952 2 27 GLU QB 2 28 ILE HA . . 4.670 4.613 4.581 4.642 . 0 0 "[ . 1 . 2]" 2
953 2 24 ILE HA 2 27 GLU QB . . 4.450 4.410 4.224 4.481 0.031 8 0 "[ . 1 . 2]" 2
954 2 23 LYS QE 2 27 GLU QB . . 5.500 3.518 3.089 3.702 . 0 0 "[ . 1 . 2]" 2
955 2 27 GLU QB 2 31 LYS QE . . 5.500 3.275 3.045 3.763 . 0 0 "[ . 1 . 2]" 2
956 2 21 VAL HA 2 25 LYS HD2 . . 4.700 4.685 4.557 4.857 0.157 8 0 "[ . 1 . 2]" 2
957 2 76 ILE H 2 76 ILE HG12 . . 4.190 2.754 1.963 4.129 . 0 0 "[ . 1 . 2]" 2
958 2 67 LYS H 2 67 LYS HD3 . . 5.140 4.105 3.472 4.899 . 0 0 "[ . 1 . 2]" 2
959 2 78 GLU H 2 78 GLU HB3 . . 3.180 2.527 2.384 3.522 0.342 12 0 "[ . 1 . 2]" 2
960 2 10 LYS QD 2 11 GLU QB . . 3.840 3.474 3.263 3.599 . 0 0 "[ . 1 . 2]" 2
961 2 8 LEU QD 2 11 GLU QB . . 3.550 3.222 3.026 3.349 . 0 0 "[ . 1 . 2]" 2
962 2 25 LYS HD2 2 26 GLU QB . . 4.740 4.773 4.251 4.858 0.118 9 0 "[ . 1 . 2]" 2
963 2 24 ILE HB 2 25 LYS HD2 . . 4.190 3.472 3.325 3.753 . 0 0 "[ . 1 . 2]" 2
964 2 22 GLU HA 2 25 LYS HD2 . . 3.170 2.797 2.417 2.899 . 0 0 "[ . 1 . 2]" 2
965 2 25 LYS HD2 2 25 LYS QE . . 2.430 2.211 2.196 2.312 . 0 0 "[ . 1 . 2]" 2
966 2 31 LYS HB2 2 31 LYS QD . . 3.620 2.466 2.355 3.344 . 0 0 "[ . 1 . 2]" 2
967 2 7 GLU QB 2 9 ARG H . . 5.500 5.147 4.835 5.507 0.007 17 0 "[ . 1 . 2]" 2
968 2 9 ARG H 2 11 GLU QB . . 5.500 5.422 5.091 5.531 0.031 16 0 "[ . 1 . 2]" 2
969 2 7 GLU H 2 7 GLU QB . . 2.760 2.423 2.115 2.580 . 0 0 "[ . 1 . 2]" 2
970 2 10 LYS HA 2 11 GLU QB . . 5.410 5.183 5.163 5.205 . 0 0 "[ . 1 . 2]" 2
971 2 11 GLU QB 2 13 VAL H . . 5.130 4.882 4.745 4.959 . 0 0 "[ . 1 . 2]" 2
972 2 11 GLU QB 2 12 LEU HA . . 4.210 4.164 4.103 4.251 0.041 1 0 "[ . 1 . 2]" 2
973 2 11 GLU QB 2 12 LEU HG . . 4.640 3.371 3.209 3.643 . 0 0 "[ . 1 . 2]" 2
974 2 11 GLU QB 2 12 LEU QD . . 4.280 3.756 3.638 3.832 . 0 0 "[ . 1 . 2]" 2
975 2 52 ILE QG 2 57 GLY H . . 5.140 3.291 3.100 3.443 . 0 0 "[ . 1 . 2]" 2
976 2 52 ILE QG 2 53 ASP H . . 3.920 1.952 1.900 1.979 . 0 0 "[ . 1 . 2]" 2
977 2 45 LYS QD 2 46 THR H . . 4.290 3.640 3.416 3.990 . 0 0 "[ . 1 . 2]" 2
978 2 45 LYS H 2 45 LYS QD . . 4.600 4.154 4.075 4.262 . 0 0 "[ . 1 . 2]" 2
979 2 45 LYS HA 2 45 LYS QD . . 3.620 2.072 2.023 2.274 . 0 0 "[ . 1 . 2]" 2
980 2 45 LYS QD 2 49 ASP HA . . 5.070 3.813 3.257 4.769 . 0 0 "[ . 1 . 2]" 2
981 2 45 LYS QD 2 45 LYS HG2 . . 2.790 2.381 2.193 2.447 . 0 0 "[ . 1 . 2]" 2
982 2 40 ILE MD 2 45 LYS QD . . 5.260 4.764 4.279 5.197 . 0 0 "[ . 1 . 2]" 2
983 2 45 LYS QD 2 49 ASP QB . . 4.130 3.028 2.275 3.795 . 0 0 "[ . 1 . 2]" 2
984 2 106 TRP HZ2 2 110 LYS QD . . 4.340 3.912 2.871 4.301 . 0 0 "[ . 1 . 2]" 2
985 2 107 SER HA 2 110 LYS QD . . 4.640 2.444 2.114 3.296 . 0 0 "[ . 1 . 2]" 2
986 2 110 LYS QD 2 111 LYS HA . . 5.680 5.476 5.264 5.656 . 0 0 "[ . 1 . 2]" 2
987 2 94 THR HB 2 95 GLN QB . . 4.940 4.150 4.045 4.275 . 0 0 "[ . 1 . 2]" 2
988 2 6 GLU H 2 6 GLU HB3 . . 3.350 2.285 2.246 2.342 . 0 0 "[ . 1 . 2]" 2
989 2 22 GLU QB 2 25 LYS HD2 . . 4.710 4.585 4.192 4.688 . 0 0 "[ . 1 . 2]" 2
990 2 22 GLU QB 2 25 LYS QE . . 5.090 5.059 4.887 5.116 0.026 16 0 "[ . 1 . 2]" 2
991 2 22 GLU QB 2 25 LYS HG2 . . 5.500 4.855 4.720 5.131 . 0 0 "[ . 1 . 2]" 2
992 2 111 LYS QD 2 112 TYR H . . 4.650 4.384 3.128 4.546 . 0 0 "[ . 1 . 2]" 2
993 2 111 LYS H 2 111 LYS QD . . 4.390 3.866 3.674 4.293 . 0 0 "[ . 1 . 2]" 2
994 2 111 LYS QD 2 112 TYR HA . . 5.200 5.096 2.722 5.310 0.110 15 0 "[ . 1 . 2]" 2
995 2 108 VAL HA 2 111 LYS QD . . 4.040 2.455 2.223 3.320 . 0 0 "[ . 1 . 2]" 2
996 2 21 VAL H 2 22 GLU QB . . 4.700 4.748 4.731 4.819 0.119 12 0 "[ . 1 . 2]" 2
997 2 22 GLU QB 2 24 ILE H . . 5.140 5.039 5.010 5.061 . 0 0 "[ . 1 . 2]" 2
998 2 4 GLU HA 2 6 GLU HB3 . . 5.500 4.951 4.804 5.102 . 0 0 "[ . 1 . 2]" 2
999 2 22 GLU H 2 22 GLU QB . . 2.810 2.414 2.384 2.437 . 0 0 "[ . 1 . 2]" 2
1000 2 4 GLU H 2 6 GLU HB3 . . 4.770 4.778 4.700 4.827 0.057 7 0 "[ . 1 . 2]" 2
1001 2 22 GLU QB 2 23 LYS H . . 3.670 3.714 3.699 3.723 0.053 20 0 "[ . 1 . 2]" 2
1002 2 3 VAL HA 2 6 GLU HB3 . . 2.670 2.246 2.162 2.382 . 0 0 "[ . 1 . 2]" 2
1003 2 21 VAL HA 2 22 GLU QB . . 5.500 5.441 5.425 5.458 . 0 0 "[ . 1 . 2]" 2
1004 2 22 GLU QB 2 23 LYS HG2 . . 4.570 4.462 4.391 4.528 . 0 0 "[ . 1 . 2]" 2
1005 2 41 ILE QG 2 41 ILE MG . . 2.560 2.340 2.315 2.366 . 0 0 "[ . 1 . 2]" 2
1006 2 61 VAL HA 2 64 TYR HD2 . . 4.790 4.360 4.098 4.617 . 0 0 "[ . 1 . 2]" 2
1007 2 61 VAL HA 2 64 TYR QB . . 4.150 2.599 2.404 2.810 . 0 0 "[ . 1 . 2]" 2
1008 2 60 HIS HA 2 61 VAL HA . . 5.490 4.700 4.689 4.720 . 0 0 "[ . 1 . 2]" 2
1009 2 21 VAL HA 2 75 LYS HA . . 5.500 5.148 4.404 5.687 0.187 12 0 "[ . 1 . 2]" 2
1010 2 61 VAL HA 2 65 LEU MD2 . . 4.840 4.294 4.148 4.412 . 0 0 "[ . 1 . 2]" 2
1011 2 21 VAL HA 2 24 ILE MD . . 2.540 2.047 1.994 2.116 . 0 0 "[ . 1 . 2]" 2
1012 2 21 VAL HA 2 25 LYS H . . 4.800 4.766 4.683 4.814 0.014 19 0 "[ . 1 . 2]" 2
1013 2 21 VAL HA 2 24 ILE HB . . 3.100 2.826 2.673 2.981 . 0 0 "[ . 1 . 2]" 2
1014 2 65 LEU HA 2 68 HIS HB2 . . 4.350 2.691 2.527 2.849 . 0 0 "[ . 1 . 2]" 2
1015 2 67 LYS H 2 68 HIS HB2 . . 5.100 4.537 4.374 4.609 . 0 0 "[ . 1 . 2]" 2
1016 2 68 HIS HB2 2 70 VAL HB . . 5.140 3.790 3.492 4.287 . 0 0 "[ . 1 . 2]" 2
1017 2 28 ILE MD 2 68 HIS HB2 . . 4.960 3.451 3.088 3.752 . 0 0 "[ . 1 . 2]" 2
1018 2 62 ILE HA 2 65 LEU H . . 3.910 3.746 3.633 3.833 . 0 0 "[ . 1 . 2]" 2
1019 2 62 ILE HA 2 64 TYR H . . 5.450 4.209 4.140 4.264 . 0 0 "[ . 1 . 2]" 2
1020 2 62 ILE HA 2 62 ILE HG12 . . 3.760 2.417 2.400 2.444 . 0 0 "[ . 1 . 2]" 2
1021 2 62 ILE HA 2 62 ILE HG13 . . 2.890 2.771 2.744 2.804 . 0 0 "[ . 1 . 2]" 2
1022 2 62 ILE HA 2 65 LEU HB3 . . 5.040 4.662 4.535 4.768 . 0 0 "[ . 1 . 2]" 2
1023 2 62 ILE HA 2 66 MET HB2 . . 5.500 5.436 5.186 5.566 0.066 6 0 "[ . 1 . 2]" 2
1024 2 12 LEU H 2 13 VAL HA . . 5.240 5.193 5.153 5.227 . 0 0 "[ . 1 . 2]" 2
1025 2 13 VAL HA 2 16 ASP HA . . 5.060 4.733 4.572 4.971 . 0 0 "[ . 1 . 2]" 2
1026 2 13 VAL HA 2 72 ASP HA . . 4.060 3.121 2.986 3.264 . 0 0 "[ . 1 . 2]" 2
1027 2 13 VAL HA 2 73 PRO QD . . 4.760 3.927 3.755 4.143 . 0 0 "[ . 1 . 2]" 2
1028 2 13 VAL HA 2 72 ASP HB3 . . 4.840 4.401 3.926 4.742 . 0 0 "[ . 1 . 2]" 2
1029 2 12 LEU HB2 2 13 VAL HA . . 4.970 4.452 4.366 4.515 . 0 0 "[ . 1 . 2]" 2
1030 2 13 VAL HA 2 16 ASP QB . . 3.610 2.285 2.149 2.493 . 0 0 "[ . 1 . 2]" 2
1031 2 13 VAL HA 2 13 VAL MG2 . . 2.860 2.264 2.250 2.277 . 0 0 "[ . 1 . 2]" 2
1032 2 24 ILE HG12 2 25 LYS H . . 5.120 5.069 5.003 5.148 0.028 3 0 "[ . 1 . 2]" 2
1033 2 24 ILE H 2 24 ILE HG12 . . 3.930 3.921 3.848 3.976 0.046 16 0 "[ . 1 . 2]" 2
1034 2 21 VAL HA 2 24 ILE HG12 . . 3.610 3.353 3.118 3.649 0.039 16 0 "[ . 1 . 2]" 2
1035 2 95 GLN QB 2 96 LYS QB . . 5.210 4.861 4.807 4.881 . 0 0 "[ . 1 . 2]" 2
1036 2 73 PRO HG3 2 98 PHE HZ . . 4.350 3.382 3.047 3.588 . 0 0 "[ . 1 . 2]" 2
1037 2 23 LYS QD 2 27 GLU H . . 5.500 5.416 5.085 5.547 0.047 6 0 "[ . 1 . 2]" 2
1038 2 23 LYS QD 2 26 GLU H . . 5.080 4.979 4.891 5.079 . 0 0 "[ . 1 . 2]" 2
1039 2 23 LYS H 2 23 LYS QD . . 3.930 3.512 3.426 3.682 . 0 0 "[ . 1 . 2]" 2
1040 2 20 PRO HG2 2 23 LYS QD . . 4.070 3.588 3.493 3.812 . 0 0 "[ . 1 . 2]" 2
1041 2 23 LYS QD 2 26 GLU QB . . 4.190 3.284 3.136 3.467 . 0 0 "[ . 1 . 2]" 2
1042 2 23 LYS QD 2 23 LYS HG2 . . 2.590 2.201 2.195 2.211 . 0 0 "[ . 1 . 2]" 2
1043 2 23 LYS QD 2 24 ILE H . . 5.190 4.943 4.896 5.026 . 0 0 "[ . 1 . 2]" 2
1044 2 65 LEU HA 2 65 LEU HG . . 3.990 3.654 3.642 3.667 . 0 0 "[ . 1 . 2]" 2
1045 2 62 ILE HA 2 65 LEU HG . . 3.760 2.495 2.386 2.645 . 0 0 "[ . 1 . 2]" 2
1046 2 20 PRO HG2 2 21 VAL H . . 4.700 4.522 4.438 4.638 . 0 0 "[ . 1 . 2]" 2
1047 2 20 PRO HG2 2 22 GLU H . . 4.610 3.602 3.521 3.660 . 0 0 "[ . 1 . 2]" 2
1048 2 20 PRO HG2 2 24 ILE H . . 5.500 5.501 5.410 5.528 0.028 5 0 "[ . 1 . 2]" 2
1049 2 20 PRO HG2 2 23 LYS H . . 3.910 3.241 3.113 3.285 . 0 0 "[ . 1 . 2]" 2
1050 2 20 PRO HG2 2 22 GLU QB . . 5.500 4.314 4.266 4.385 . 0 0 "[ . 1 . 2]" 2
1051 2 20 PRO HG2 2 23 LYS HG2 . . 3.850 2.081 2.037 2.140 . 0 0 "[ . 1 . 2]" 2
1052 2 64 TYR HD2 2 65 LEU HG . . 5.150 4.770 4.673 4.830 . 0 0 "[ . 1 . 2]" 2
1053 2 79 LEU HG 2 80 LEU H . . 4.820 3.257 3.118 3.383 . 0 0 "[ . 1 . 2]" 2
1054 2 12 LEU QD 2 15 ARG QG . . 4.640 4.273 3.834 4.758 0.118 6 0 "[ . 1 . 2]" 2
1055 2 15 ARG QG 2 106 TRP HZ3 . . 5.500 4.828 4.410 5.566 0.066 2 0 "[ . 1 . 2]" 2
1056 2 11 GLU HA 2 15 ARG QG . . 4.260 3.881 3.701 3.963 . 0 0 "[ . 1 . 2]" 2
1057 2 14 LYS QE 2 15 ARG QG . . 5.400 3.502 2.052 4.275 . 0 0 "[ . 1 . 2]" 2
1058 2 14 LYS QB 2 15 ARG QG . . 4.110 4.034 3.816 4.142 0.032 8 0 "[ . 1 . 2]" 2
1059 2 14 LYS HG3 2 15 ARG QG . . 3.080 2.115 2.071 2.206 . 0 0 "[ . 1 . 2]" 2
1060 2 6 GLU H 2 9 ARG HG3 . . 5.500 4.798 4.676 4.851 . 0 0 "[ . 1 . 2]" 2
1061 2 9 ARG HG3 2 12 LEU H . . 5.500 5.563 5.504 5.620 0.120 18 0 "[ . 1 . 2]" 2
1062 2 108 VAL HA 2 111 LYS H . . 4.120 3.843 3.749 3.985 . 0 0 "[ . 1 . 2]" 2
1063 2 108 VAL HA 2 109 VAL HA . . 4.810 4.700 4.666 4.719 . 0 0 "[ . 1 . 2]" 2
1064 2 108 VAL HA 2 111 LYS QE . . 4.440 3.857 2.348 4.448 0.008 6 0 "[ . 1 . 2]" 2
1065 2 108 VAL HA 2 108 VAL QG . . 2.900 2.176 2.115 2.269 . 0 0 "[ . 1 . 2]" 2
1066 2 108 VAL HA 2 112 TYR H . . 4.810 4.457 4.371 4.550 . 0 0 "[ . 1 . 2]" 2
1067 2 108 VAL H 2 109 VAL HA . . 5.170 5.192 5.160 5.238 0.068 12 0 "[ . 1 . 2]" 2
1068 2 109 VAL HA 2 111 LYS H . . 4.450 4.329 4.241 4.448 . 0 0 "[ . 1 . 2]" 2
1069 2 109 VAL HA 2 112 TYR HE2 . . 4.480 4.522 4.468 4.586 0.106 8 0 "[ . 1 . 2]" 2
1070 2 109 VAL HA 2 113 LEU HG . . 5.460 4.803 4.740 4.868 . 0 0 "[ . 1 . 2]" 2
1071 2 67 LYS HG2 2 112 TYR HE2 . . 4.850 4.363 2.490 4.881 0.031 4 0 "[ . 1 . 2]" 2
1072 2 66 MET HA 2 67 LYS HG2 . . 5.500 5.430 5.328 5.725 0.225 12 0 "[ . 1 . 2]" 2
1073 2 62 ILE H 2 63 LEU HG . . 4.930 4.503 4.394 4.577 . 0 0 "[ . 1 . 2]" 2
1074 2 63 LEU HG 2 64 TYR H . . 5.020 4.552 4.485 4.600 . 0 0 "[ . 1 . 2]" 2
1075 2 63 LEU HG 2 105 ALA MB . . 3.200 2.856 2.756 2.986 . 0 0 "[ . 1 . 2]" 2
1076 2 59 TRP HA 2 63 LEU HG . . 4.510 3.997 3.949 4.090 . 0 0 "[ . 1 . 2]" 2
1077 2 63 LEU HA 2 63 LEU HG . . 3.780 2.910 2.849 2.940 . 0 0 "[ . 1 . 2]" 2
1078 2 108 VAL HA 2 110 LYS H . . 5.220 4.746 4.636 4.863 . 0 0 "[ . 1 . 2]" 2
1079 2 112 TYR H 2 113 LEU HG . . 4.420 3.799 3.745 3.856 . 0 0 "[ . 1 . 2]" 2
1080 2 113 LEU HA 2 113 LEU HG . . 3.740 3.677 3.655 3.696 . 0 0 "[ . 1 . 2]" 2
1081 2 110 LYS HA 2 113 LEU HG . . 3.740 2.053 1.989 2.108 . 0 0 "[ . 1 . 2]" 2
1082 2 82 ARG HG2 2 83 ASP H . . 4.940 3.936 3.334 4.985 0.045 4 0 "[ . 1 . 2]" 2
1083 2 77 LEU HA 2 77 LEU HG . . 3.690 2.445 2.412 2.475 . 0 0 "[ . 1 . 2]" 2
1084 2 77 LEU HG 2 80 LEU H . . 5.040 4.917 4.727 5.069 0.029 12 0 "[ . 1 . 2]" 2
1085 2 77 LEU HG 2 78 GLU H . . 4.480 4.499 4.476 4.521 0.041 7 0 "[ . 1 . 2]" 2
1086 2 77 LEU HG 2 78 GLU HA . . 4.460 4.526 4.500 4.564 0.104 17 0 "[ . 1 . 2]" 2
1087 2 75 LYS H 2 75 LYS HG3 . . 4.180 3.000 2.160 4.345 0.165 3 0 "[ . 1 . 2]" 2
1088 2 102 LEU H 2 102 LEU HG . . 3.510 3.237 2.986 3.658 0.148 8 0 "[ . 1 . 2]" 2
1089 2 98 PHE HE2 2 102 LEU HG . . 4.910 4.824 4.692 4.964 0.054 17 0 "[ . 1 . 2]" 2
1090 2 22 GLU HA 2 25 LYS HG2 . . 4.770 3.708 3.533 4.098 . 0 0 "[ . 1 . 2]" 2
1091 2 25 LYS HA 2 25 LYS HG2 . . 3.650 3.634 3.618 3.653 0.003 11 0 "[ . 1 . 2]" 2
1092 2 25 LYS QE 2 25 LYS HG2 . . 3.670 3.505 3.308 3.540 . 0 0 "[ . 1 . 2]" 2
1093 2 73 PRO HA 2 77 LEU H . . 4.000 4.124 4.047 4.223 0.223 12 0 "[ . 1 . 2]" 2
1094 2 73 PRO HA 2 75 LYS H . . 4.010 3.929 3.707 4.076 0.066 4 0 "[ . 1 . 2]" 2
1095 2 73 PRO HA 2 76 ILE HB . . 3.210 2.453 2.311 2.622 . 0 0 "[ . 1 . 2]" 2
1096 2 73 PRO HA 2 76 ILE MG . . 3.770 3.778 3.675 3.905 0.135 16 0 "[ . 1 . 2]" 2
1097 2 73 PRO HA 2 76 ILE MD . . 5.500 3.132 2.015 3.791 . 0 0 "[ . 1 . 2]" 2
1098 2 73 PRO HA 2 102 LEU QD . . 3.680 2.515 2.451 2.624 . 0 0 "[ . 1 . 2]" 2
1099 2 23 LYS H 2 24 ILE HA . . 5.100 4.948 4.916 4.973 . 0 0 "[ . 1 . 2]" 2
1100 2 24 ILE HA 2 28 ILE MD . . 3.930 3.506 3.352 3.654 . 0 0 "[ . 1 . 2]" 2
1101 2 24 ILE HA 2 26 GLU H . . 4.870 4.319 4.185 4.403 . 0 0 "[ . 1 . 2]" 2
1102 2 24 ILE HA 2 27 GLU HG3 . . 4.230 4.113 3.827 4.242 0.012 13 0 "[ . 1 . 2]" 2
1103 2 45 LYS HG2 2 49 ASP HA . . 5.500 5.549 5.399 5.650 0.150 1 0 "[ . 1 . 2]" 2
1104 2 45 LYS HG2 2 46 THR H . . 4.710 4.716 4.565 4.773 0.063 13 0 "[ . 1 . 2]" 2
1105 2 39 GLU QB 2 45 LYS HG2 . . 4.640 4.167 2.750 4.496 . 0 0 "[ . 1 . 2]" 2
1106 2 40 ILE MD 2 45 LYS HG2 . . 4.940 4.638 4.372 4.992 0.052 9 0 "[ . 1 . 2]" 2
1107 2 39 GLU QG 2 45 LYS HG2 . . 4.520 2.503 2.251 4.119 . 0 0 "[ . 1 . 2]" 2
1108 2 8 LEU HG 2 103 SER H . . 4.170 4.198 4.054 4.281 0.111 8 0 "[ . 1 . 2]" 2
1109 2 8 LEU H 2 8 LEU HG . . 5.500 4.079 3.957 4.540 . 0 0 "[ . 1 . 2]" 2
1110 2 5 PHE HA 2 8 LEU HG . . 4.630 4.344 4.245 4.539 . 0 0 "[ . 1 . 2]" 2
1111 2 8 LEU HG 2 103 SER HA . . 3.090 3.143 3.089 3.197 0.107 1 0 "[ . 1 . 2]" 2
1112 2 8 LEU HG 2 106 TRP HB3 . . 5.070 5.103 5.020 5.163 0.093 1 0 "[ . 1 . 2]" 2
1113 2 8 LEU HG 2 99 VAL QG . . 3.720 3.710 3.564 3.784 0.064 17 0 "[ . 1 . 2]" 2
1114 2 8 LEU HG 2 12 LEU QD . . 4.030 3.747 3.633 3.910 . 0 0 "[ . 1 . 2]" 2
1115 2 1 THR HA 2 2 VAL HA . . 5.190 4.771 4.729 4.807 . 0 0 "[ . 1 . 2]" 2
1116 2 2 VAL HA 2 99 VAL QG . . 5.500 4.077 3.783 4.497 . 0 0 "[ . 1 . 2]" 2
1117 2 96 LYS QG 2 100 ILE HB . . 5.500 4.132 3.965 4.222 . 0 0 "[ . 1 . 2]" 2
1118 2 3 VAL HA 2 6 GLU H . . 4.200 3.111 3.012 3.266 . 0 0 "[ . 1 . 2]" 2
1119 2 3 VAL HA 2 4 GLU H . . 3.520 3.529 3.508 3.545 0.025 2 0 "[ . 1 . 2]" 2
1120 2 3 VAL HA 2 7 GLU H . . 5.050 4.246 4.077 4.457 . 0 0 "[ . 1 . 2]" 2
1121 2 2 VAL HA 2 2 VAL QG . . 2.430 2.110 2.101 2.119 . 0 0 "[ . 1 . 2]" 2
1122 2 27 GLU HA 2 28 ILE HA . . 4.920 4.651 4.632 4.671 . 0 0 "[ . 1 . 2]" 2
1123 2 28 ILE HA 2 64 TYR HE2 . . 5.160 4.968 4.537 5.223 0.063 20 0 "[ . 1 . 2]" 2
1124 2 28 ILE HA 2 31 LYS QE . . 4.610 3.780 3.182 4.122 . 0 0 "[ . 1 . 2]" 2
1125 2 28 ILE HA 2 31 LYS HB2 . . 4.030 3.070 2.813 3.392 . 0 0 "[ . 1 . 2]" 2
1126 2 11 GLU H 2 12 LEU HG . . 4.500 4.182 4.127 4.271 . 0 0 "[ . 1 . 2]" 2
1127 2 12 LEU HA 2 12 LEU HG . . 3.410 2.969 2.916 3.152 . 0 0 "[ . 1 . 2]" 2
1128 2 100 ILE HA 2 103 SER H . . 4.420 3.668 3.596 3.783 . 0 0 "[ . 1 . 2]" 2
1129 2 99 VAL QG 2 100 ILE HA . . 4.000 3.141 3.032 3.284 . 0 0 "[ . 1 . 2]" 2
1130 2 84 SER QB 2 85 LYS HA . . 4.890 4.808 4.491 4.942 0.052 16 0 "[ . 1 . 2]" 2
1131 2 84 SER QB 2 85 LYS HB2 . . 5.500 5.123 4.500 5.534 0.034 11 0 "[ . 1 . 2]" 2
1132 2 84 SER QB 2 85 LYS HB3 . . 5.500 4.881 4.219 5.453 . 0 0 "[ . 1 . 2]" 2
1133 2 84 SER QB 2 87 LYS HB2 . . 5.460 4.597 4.064 5.308 . 0 0 "[ . 1 . 2]" 2
1134 2 84 SER QB 2 94 THR MG . . 5.500 5.562 5.410 5.646 0.146 13 0 "[ . 1 . 2]" 2
1135 2 11 GLU H 2 14 LYS HG3 . . 5.500 5.419 5.158 5.557 0.057 2 0 "[ . 1 . 2]" 2
1136 2 14 LYS H 2 14 LYS HG3 . . 4.080 2.661 2.541 2.830 . 0 0 "[ . 1 . 2]" 2
1137 2 14 LYS HG3 2 15 ARG H . . 4.230 2.484 2.417 2.594 . 0 0 "[ . 1 . 2]" 2
1138 2 14 LYS QE 2 14 LYS HG3 . . 3.590 3.124 2.417 3.526 . 0 0 "[ . 1 . 2]" 2
1139 2 14 LYS HG3 2 71 THR MG . . 5.500 5.381 5.266 5.534 0.034 3 0 "[ . 1 . 2]" 2
1140 2 23 LYS HG2 2 24 ILE H . . 4.770 4.482 4.416 4.610 . 0 0 "[ . 1 . 2]" 2
1141 2 23 LYS QE 2 23 LYS HG2 . . 3.530 3.333 3.315 3.505 . 0 0 "[ . 1 . 2]" 2
1142 2 19 LYS QG 2 23 LYS HG2 . . 5.290 5.040 4.692 5.326 0.036 17 0 "[ . 1 . 2]" 2
1143 2 111 LYS QG 2 112 TYR HD2 . . 5.330 5.365 5.303 5.393 0.063 7 0 "[ . 1 . 2]" 2
1144 2 111 LYS QG 2 113 LEU H . . 5.390 4.525 4.472 4.641 . 0 0 "[ . 1 . 2]" 2
1145 2 111 LYS QG 2 114 GLU H . . 5.500 5.031 4.902 5.346 . 0 0 "[ . 1 . 2]" 2
1146 2 108 VAL HA 2 111 LYS QG . . 4.380 2.294 2.212 2.484 . 0 0 "[ . 1 . 2]" 2
1147 2 111 LYS HA 2 111 LYS QG . . 3.490 3.330 3.310 3.462 . 0 0 "[ . 1 . 2]" 2
1148 2 106 TRP HB3 2 110 LYS HG2 . . 5.500 5.509 5.388 5.562 0.062 1 0 "[ . 1 . 2]" 2
1149 2 64 TYR HA 2 66 MET H . . 5.330 4.032 3.980 4.078 . 0 0 "[ . 1 . 2]" 2
1150 2 63 LEU H 2 64 TYR HA . . 5.150 5.181 5.157 5.223 0.073 12 0 "[ . 1 . 2]" 2
1151 2 64 TYR HA 2 64 TYR HD2 . . 4.240 4.197 4.162 4.224 . 0 0 "[ . 1 . 2]" 2
1152 2 64 TYR HA 2 67 LYS HB2 . . 4.030 3.246 3.091 3.385 . 0 0 "[ . 1 . 2]" 2
1153 2 64 TYR HA 2 67 LYS HG2 . . 4.460 3.295 2.663 4.550 0.090 12 0 "[ . 1 . 2]" 2
1154 2 37 ILE MD 2 64 TYR HA . . 4.770 4.624 4.279 4.809 0.039 17 0 "[ . 1 . 2]" 2
1155 2 106 TRP HE1 2 110 LYS HG2 . . 5.500 5.433 5.118 5.527 0.027 18 0 "[ . 1 . 2]" 2
1156 2 110 LYS HG2 2 111 LYS HA . . 5.310 4.515 4.340 4.632 . 0 0 "[ . 1 . 2]" 2
1157 2 110 LYS H 2 110 LYS HG2 . . 3.790 2.286 2.183 2.430 . 0 0 "[ . 1 . 2]" 2
1158 2 106 TRP HD1 2 110 LYS HG2 . . 5.500 5.389 5.137 5.488 . 0 0 "[ . 1 . 2]" 2
1159 2 110 LYS HG2 2 111 LYS H . . 4.230 2.437 2.201 2.639 . 0 0 "[ . 1 . 2]" 2
1160 2 110 LYS HA 2 110 LYS HG2 . . 3.800 3.742 3.708 3.807 0.007 12 0 "[ . 1 . 2]" 2
1161 2 110 LYS HG2 2 111 LYS QB . . 5.070 3.654 3.484 3.775 . 0 0 "[ . 1 . 2]" 2
1162 2 46 THR MG 2 81 PRO HA . . 4.760 4.795 4.688 4.910 0.150 9 0 "[ . 1 . 2]" 2
1163 2 81 PRO HA 2 82 ARG HA . . 4.570 4.385 4.349 4.415 . 0 0 "[ . 1 . 2]" 2
1164 2 79 LEU QD 2 81 PRO HA . . 5.330 5.250 4.907 5.358 0.028 6 0 "[ . 1 . 2]" 2
1165 2 29 CYS H 2 30 THR HA . . 5.400 5.199 5.132 5.272 . 0 0 "[ . 1 . 2]" 2
1166 2 29 CYS QB 2 30 THR HA . . 4.610 4.195 3.987 4.451 . 0 0 "[ . 1 . 2]" 2
1167 2 30 THR HA 2 30 THR MG . . 3.220 3.225 3.220 3.229 0.009 16 0 "[ . 1 . 2]" 2
1168 2 41 ILE HA 2 43 GLU H . . 4.540 3.358 3.178 3.471 . 0 0 "[ . 1 . 2]" 2
1169 2 25 LYS QE 2 41 ILE HA . . 5.430 4.917 4.768 5.066 . 0 0 "[ . 1 . 2]" 2
1170 2 41 ILE HA 2 41 ILE QG . . 3.090 2.748 2.661 2.805 . 0 0 "[ . 1 . 2]" 2
1171 2 41 ILE HA 2 41 ILE MG . . 2.670 2.489 2.422 2.555 . 0 0 "[ . 1 . 2]" 2
1172 2 97 TYR HA 2 100 ILE MG . . 4.370 4.016 3.955 4.063 . 0 0 "[ . 1 . 2]" 2
1173 2 97 TYR HA 2 100 ILE HB . . 4.590 2.826 2.760 2.896 . 0 0 "[ . 1 . 2]" 2
1174 2 77 LEU MD2 2 94 THR MG . . 5.500 5.076 4.384 5.455 . 0 0 "[ . 1 . 2]" 2
1175 2 86 ALA H 2 94 THR MG . . 5.390 4.895 4.613 5.070 . 0 0 "[ . 1 . 2]" 2
1176 2 96 LYS QB 2 97 TYR HA . . 5.350 4.232 4.164 4.282 . 0 0 "[ . 1 . 2]" 2
1177 2 103 SER HA 2 107 SER H . . 5.410 4.195 4.128 4.298 . 0 0 "[ . 1 . 2]" 2
1178 2 94 THR H 2 94 THR MG . . 4.400 3.753 3.740 3.765 . 0 0 "[ . 1 . 2]" 2
1179 2 87 LYS H 2 94 THR MG . . 5.480 5.402 4.972 5.570 0.090 16 0 "[ . 1 . 2]" 2
1180 2 94 THR MG 2 97 TYR HD2 . . 4.970 3.016 2.683 3.148 . 0 0 "[ . 1 . 2]" 2
1181 2 94 THR MG 2 97 TYR QB . . 3.840 3.659 3.482 3.850 0.010 8 0 "[ . 1 . 2]" 2
1182 2 77 LEU QB 2 94 THR MG . . 5.500 5.388 5.107 5.567 0.067 5 0 "[ . 1 . 2]" 2
1183 2 77 LEU HG 2 94 THR MG . . 5.450 4.574 3.896 4.903 . 0 0 "[ . 1 . 2]" 2
1184 2 46 THR MG 2 84 SER H . . 5.160 5.099 4.881 5.191 0.031 20 0 "[ . 1 . 2]" 2
1185 2 12 LEU HG 2 71 THR MG . . 4.240 3.789 3.740 3.905 . 0 0 "[ . 1 . 2]" 2
1186 2 12 LEU H 2 71 THR MG . . 4.890 4.389 4.342 4.485 . 0 0 "[ . 1 . 2]" 2
1187 2 71 THR MG 2 106 TRP HH2 . . 3.570 3.384 3.076 3.684 0.114 3 0 "[ . 1 . 2]" 2
1188 2 71 THR MG 2 106 TRP HZ3 . . 2.990 2.973 2.797 3.115 0.125 7 0 "[ . 1 . 2]" 2
1189 2 16 ASP HA 2 71 THR MG . . 3.990 3.906 3.840 3.976 . 0 0 "[ . 1 . 2]" 2
1190 2 12 LEU HA 2 71 THR MG . . 3.500 2.075 2.015 2.177 . 0 0 "[ . 1 . 2]" 2
1191 2 15 ARG QB 2 71 THR MG . . 2.990 2.395 2.083 2.878 . 0 0 "[ . 1 . 2]" 2
1192 2 12 LEU QD 2 71 THR MG . . 3.120 1.836 1.794 1.915 . 0 0 "[ . 1 . 2]" 2
1193 2 40 ILE HA 2 46 THR HA . . 4.820 3.649 3.309 3.843 . 0 0 "[ . 1 . 2]" 2
1194 2 46 THR MG 2 82 ARG H . . 5.230 4.767 4.460 4.934 . 0 0 "[ . 1 . 2]" 2
1195 2 46 THR H 2 46 THR MG . . 3.320 2.429 2.396 2.506 . 0 0 "[ . 1 . 2]" 2
1196 2 45 LYS HA 2 46 THR MG . . 4.000 3.345 3.151 3.693 . 0 0 "[ . 1 . 2]" 2
1197 2 46 THR MG 2 82 ARG QD . . 4.060 3.983 3.712 4.217 0.157 8 0 "[ . 1 . 2]" 2
1198 2 46 THR MG 2 81 PRO HB2 . . 3.940 3.288 2.685 3.906 . 0 0 "[ . 1 . 2]" 2
1199 2 40 ILE MD 2 46 THR MG . . 4.410 4.064 3.987 4.140 . 0 0 "[ . 1 . 2]" 2
1200 2 16 ASP QB 2 70 VAL HA . . 4.880 4.716 4.542 4.936 0.056 7 0 "[ . 1 . 2]" 2
1201 2 39 GLU QB 2 40 ILE HA . . 5.020 4.155 3.879 4.750 . 0 0 "[ . 1 . 2]" 2
1202 2 40 ILE HA 2 42 CYS H . . 4.880 4.458 4.324 4.596 . 0 0 "[ . 1 . 2]" 2
1203 2 40 ILE HA 2 43 GLU H . . 5.340 3.860 3.618 4.096 . 0 0 "[ . 1 . 2]" 2
1204 2 60 HIS HA 2 64 TYR H . . 5.500 4.270 4.186 4.386 . 0 0 "[ . 1 . 2]" 2
1205 2 60 HIS HA 2 63 LEU HB2 . . 4.100 2.900 2.766 3.053 . 0 0 "[ . 1 . 2]" 2
1206 2 24 ILE H 2 25 LYS HA . . 5.500 5.274 5.253 5.298 . 0 0 "[ . 1 . 2]" 2
1207 2 25 LYS HA 2 25 LYS QE . . 4.870 4.178 3.986 4.275 . 0 0 "[ . 1 . 2]" 2
1208 2 25 LYS HA 2 26 GLU QB . . 5.160 5.142 5.115 5.171 0.011 4 0 "[ . 1 . 2]" 2
1209 2 25 LYS HA 2 41 ILE MG . . 3.120 2.077 1.924 2.207 . 0 0 "[ . 1 . 2]" 2
1210 2 25 LYS HA 2 28 ILE MG . . 4.480 4.058 3.998 4.228 . 0 0 "[ . 1 . 2]" 2
1211 2 25 LYS HA 2 28 ILE MD . . 4.070 3.612 3.395 3.972 . 0 0 "[ . 1 . 2]" 2
1212 2 49 ASP QB 2 50 VAL HA . . 4.860 4.368 4.324 4.405 . 0 0 "[ . 1 . 2]" 2
1213 2 50 VAL HA 2 50 VAL MG1 . . 2.880 2.294 2.265 2.327 . 0 0 "[ . 1 . 2]" 2
1214 2 16 ASP HA 2 71 THR HA . . 4.410 4.489 4.351 4.556 0.146 4 0 "[ . 1 . 2]" 2
1215 2 12 LEU QD 2 71 THR HA . . 4.100 3.676 3.532 3.912 . 0 0 "[ . 1 . 2]" 2
1216 2 70 VAL H 2 71 THR HA . . 5.500 5.342 5.135 5.465 . 0 0 "[ . 1 . 2]" 2
1217 2 56 ARG HA 2 60 HIS H . . 4.620 3.782 3.682 3.941 . 0 0 "[ . 1 . 2]" 2
1218 2 52 ILE MD 2 56 ARG HA . . 5.500 4.318 4.255 4.420 . 0 0 "[ . 1 . 2]" 2
1219 2 29 CYS HA 2 30 THR MG . . 5.280 4.973 4.912 5.047 . 0 0 "[ . 1 . 2]" 2
1220 2 29 CYS QB 2 30 THR MG . . 4.410 4.392 4.233 4.430 0.020 4 0 "[ . 1 . 2]" 2
1221 2 30 THR MG 2 31 LYS QE . . 4.920 3.356 2.439 3.860 . 0 0 "[ . 1 . 2]" 2
1222 2 30 THR MG 2 31 LYS HB2 . . 4.580 4.058 3.947 4.374 . 0 0 "[ . 1 . 2]" 2
1223 2 29 CYS H 2 30 THR MG . . 4.050 3.807 3.750 3.901 . 0 0 "[ . 1 . 2]" 2
1224 2 5 PHE HA 2 9 ARG HG3 . . 5.330 5.127 4.984 5.189 . 0 0 "[ . 1 . 2]" 2
1225 2 5 PHE HA 2 98 PHE HE1 . . 3.380 3.444 3.402 3.482 0.102 18 0 "[ . 1 . 2]" 2
1226 2 56 ARG HA 2 59 TRP H . . 4.560 2.985 2.866 3.179 . 0 0 "[ . 1 . 2]" 2
1227 2 56 ARG HA 2 60 HIS HD2 . . 5.170 3.948 3.837 4.070 . 0 0 "[ . 1 . 2]" 2
1228 2 56 ARG HA 2 57 GLY HA2 . . 4.980 4.837 4.820 4.848 . 0 0 "[ . 1 . 2]" 2
1229 2 59 TRP HA 2 62 ILE HB . . 4.540 3.112 2.999 3.172 . 0 0 "[ . 1 . 2]" 2
1230 2 59 TRP HA 2 101 THR MG . . 3.710 3.379 3.225 3.477 . 0 0 "[ . 1 . 2]" 2
1231 2 101 THR MG 2 102 LEU H . . 3.750 3.334 3.262 3.386 . 0 0 "[ . 1 . 2]" 2
1232 2 101 THR MG 2 103 SER H . . 5.500 4.957 4.865 5.018 . 0 0 "[ . 1 . 2]" 2
1233 2 59 TRP H 2 101 THR MG . . 4.790 4.759 4.673 4.828 0.038 20 0 "[ . 1 . 2]" 2
1234 2 101 THR H 2 101 THR MG . . 3.910 3.736 3.730 3.748 . 0 0 "[ . 1 . 2]" 2
1235 2 97 TYR HE2 2 101 THR MG . . 5.200 4.783 4.533 4.947 . 0 0 "[ . 1 . 2]" 2
1236 2 59 TRP HE3 2 101 THR MG . . 3.160 2.396 2.199 2.545 . 0 0 "[ . 1 . 2]" 2
1237 2 59 TRP QB 2 101 THR MG . . 4.000 3.906 3.753 3.998 . 0 0 "[ . 1 . 2]" 2
1238 2 101 THR MG 2 105 ALA MB . . 3.090 2.989 2.931 3.066 . 0 0 "[ . 1 . 2]" 2
1239 2 62 ILE MD 2 101 THR MG . . 2.700 2.226 2.148 2.314 . 0 0 "[ . 1 . 2]" 2
1240 2 62 ILE MG 2 101 THR MG . . 3.550 3.198 3.021 3.352 . 0 0 "[ . 1 . 2]" 2
1241 2 101 THR MG 2 102 LEU QD . . 4.010 3.603 2.447 3.909 . 0 0 "[ . 1 . 2]" 2
1242 2 47 TYR HA 2 51 ASN H . . 5.500 4.756 4.652 4.825 . 0 0 "[ . 1 . 2]" 2
1243 2 47 TYR HA 2 57 GLY H . . 5.500 5.525 5.375 5.638 0.138 14 0 "[ . 1 . 2]" 2
1244 2 47 TYR HA 2 57 GLY HA3 . . 4.090 3.931 3.649 4.097 0.007 10 0 "[ . 1 . 2]" 2
1245 2 47 TYR HA 2 48 ALA MB . . 5.280 4.984 4.915 5.002 . 0 0 "[ . 1 . 2]" 2
1246 2 47 TYR HA 2 50 VAL MG1 . . 5.500 5.000 4.551 5.267 . 0 0 "[ . 1 . 2]" 2
1247 2 47 TYR HA 2 52 ILE MG . . 3.640 2.348 2.211 2.544 . 0 0 "[ . 1 . 2]" 2
1248 2 40 ILE MD 2 47 TYR HA . . 3.830 3.144 2.891 3.332 . 0 0 "[ . 1 . 2]" 2
1249 2 47 TYR HA 2 49 ASP QB . . 5.500 4.348 4.093 4.529 . 0 0 "[ . 1 . 2]" 2
1250 2 46 THR MG 2 47 TYR HA . . 4.680 4.313 4.219 4.383 . 0 0 "[ . 1 . 2]" 2
1251 2 17 SER HA 2 19 LYS H . . 5.100 4.474 4.348 4.547 . 0 0 "[ . 1 . 2]" 2
1252 2 104 LYS HA 2 107 SER H . . 4.030 3.402 3.246 3.536 . 0 0 "[ . 1 . 2]" 2
1253 2 104 LYS HA 2 104 LYS QE . . 4.290 3.683 2.996 4.379 0.089 20 0 "[ . 1 . 2]" 2
1254 2 104 LYS HA 2 105 ALA MB . . 5.200 5.042 5.029 5.057 . 0 0 "[ . 1 . 2]" 2
1255 2 104 LYS HA 2 108 VAL H . . 5.220 4.303 4.126 4.485 . 0 0 "[ . 1 . 2]" 2
1256 2 22 GLU HA 2 25 LYS H . . 4.170 3.887 3.856 3.923 . 0 0 "[ . 1 . 2]" 2
1257 2 66 MET HA 2 68 HIS H . . 4.640 3.940 3.898 4.014 . 0 0 "[ . 1 . 2]" 2
1258 2 59 TRP HA 2 62 ILE MD . . 3.340 3.335 3.294 3.373 0.033 8 0 "[ . 1 . 2]" 2
1259 2 96 LYS HA 2 99 VAL H . . 4.190 3.609 3.478 3.766 . 0 0 "[ . 1 . 2]" 2
1260 2 96 LYS HA 2 97 TYR HA . . 4.950 4.806 4.786 4.829 . 0 0 "[ . 1 . 2]" 2
1261 2 96 LYS HA 2 99 VAL HB . . 3.690 2.933 2.729 3.117 . 0 0 "[ . 1 . 2]" 2
1262 2 96 LYS HA 2 96 LYS QD . . 4.670 3.975 3.951 3.997 . 0 0 "[ . 1 . 2]" 2
1263 2 96 LYS HA 2 99 VAL QG . . 3.790 3.504 3.335 3.651 . 0 0 "[ . 1 . 2]" 2
1264 2 96 LYS HA 2 100 ILE HB . . 5.500 5.170 5.004 5.305 . 0 0 "[ . 1 . 2]" 2
1265 2 55 SER HA 2 57 GLY H . . 5.340 4.467 4.387 4.551 . 0 0 "[ . 1 . 2]" 2
1266 2 84 SER HA 2 86 ALA H . . 4.800 3.816 3.694 3.946 . 0 0 "[ . 1 . 2]" 2
1267 2 51 ASN HA 2 52 ILE HA . . 5.240 4.661 4.523 4.682 . 0 0 "[ . 1 . 2]" 2
1268 2 84 SER HA 2 85 LYS HA . . 5.500 4.398 4.353 4.427 . 0 0 "[ . 1 . 2]" 2
1269 2 16 ASP QB 2 17 SER HA . . 5.300 4.788 4.741 4.857 . 0 0 "[ . 1 . 2]" 2
1270 2 17 SER HA 2 19 LYS QG . . 4.890 4.572 4.134 5.066 0.176 10 0 "[ . 1 . 2]" 2
1271 2 17 SER HA 2 19 LYS QE . . 4.860 4.343 3.981 4.649 . 0 0 "[ . 1 . 2]" 2
1272 2 22 GLU HA 2 23 LYS HA . . 5.140 4.695 4.685 4.727 . 0 0 "[ . 1 . 2]" 2
1273 2 23 LYS HA 2 26 GLU HA . . 5.500 5.160 5.046 5.279 . 0 0 "[ . 1 . 2]" 2
1274 2 26 GLU HA 2 29 CYS QB . . 4.220 3.485 3.333 3.701 . 0 0 "[ . 1 . 2]" 2
1275 2 9 ARG H 2 10 LYS HA . . 5.410 5.335 5.257 5.417 0.007 18 0 "[ . 1 . 2]" 2
1276 2 10 LYS HA 2 13 VAL H . . 3.900 3.716 3.377 3.790 . 0 0 "[ . 1 . 2]" 2
1277 2 10 LYS HA 2 10 LYS QE . . 4.510 4.265 4.150 4.967 0.457 18 0 "[ . 1 . 2]" 2
1278 2 10 LYS HA 2 13 VAL HB . . 3.300 3.161 2.591 3.279 . 0 0 "[ . 1 . 2]" 2
1279 2 10 LYS HA 2 10 LYS QD . . 3.780 3.495 3.453 3.631 . 0 0 "[ . 1 . 2]" 2
1280 2 10 LYS HA 2 12 LEU HB2 . . 5.360 5.463 5.383 5.510 0.150 12 0 "[ . 1 . 2]" 2
1281 2 9 ARG HG3 2 10 LYS HA . . 4.800 4.133 4.030 4.296 . 0 0 "[ . 1 . 2]" 2
1282 2 10 LYS HA 2 13 VAL MG2 . . 4.330 3.992 3.661 4.103 . 0 0 "[ . 1 . 2]" 2
1283 2 110 LYS HA 2 111 LYS HA . . 5.010 4.711 4.677 4.732 . 0 0 "[ . 1 . 2]" 2
1284 2 51 ASN H 2 52 ILE HA . . 5.500 5.383 5.352 5.412 . 0 0 "[ . 1 . 2]" 2
1285 2 83 ASP H 2 84 SER HA . . 5.500 4.897 4.837 4.990 . 0 0 "[ . 1 . 2]" 2
1286 2 52 ILE HA 2 52 ILE MG . . 3.520 3.226 3.218 3.232 . 0 0 "[ . 1 . 2]" 2
1287 2 52 ILE HA 2 52 ILE MD . . 3.700 3.681 3.654 3.703 0.003 3 0 "[ . 1 . 2]" 2
1288 2 75 LYS HA 2 78 GLU H . . 3.760 3.009 2.822 3.287 . 0 0 "[ . 1 . 2]" 2
1289 2 26 GLU HA 2 26 GLU QB . . 2.680 2.351 2.340 2.364 . 0 0 "[ . 1 . 2]" 2
1290 2 25 LYS HG2 2 26 GLU HA . . 4.740 3.553 3.327 3.628 . 0 0 "[ . 1 . 2]" 2
1291 2 26 GLU HA 2 27 GLU H . . 3.560 3.584 3.573 3.592 0.032 8 0 "[ . 1 . 2]" 2
1292 2 6 GLU HA 2 6 GLU QG . . 3.470 3.126 3.095 3.151 . 0 0 "[ . 1 . 2]" 2
1293 2 39 GLU HA 2 39 GLU QG . . 3.590 2.709 2.237 3.342 . 0 0 "[ . 1 . 2]" 2
1294 2 39 GLU HA 2 39 GLU QB . . 2.610 2.415 2.160 2.511 . 0 0 "[ . 1 . 2]" 2
1295 2 27 GLU HA 2 30 THR MG . . 3.620 2.463 2.307 2.682 . 0 0 "[ . 1 . 2]" 2
1296 2 6 GLU HA 2 9 ARG H . . 4.040 3.798 3.683 3.971 . 0 0 "[ . 1 . 2]" 2
1297 2 6 GLU HA 2 10 LYS H . . 4.590 4.363 4.243 4.451 . 0 0 "[ . 1 . 2]" 2
1298 2 27 GLU HA 2 31 LYS H . . 5.500 5.198 4.933 5.562 0.062 8 0 "[ . 1 . 2]" 2
1299 2 27 GLU HA 2 31 LYS QE . . 4.580 3.933 3.727 4.078 . 0 0 "[ . 1 . 2]" 2
1300 2 27 GLU HA 2 27 GLU QB . . 2.690 2.170 2.163 2.178 . 0 0 "[ . 1 . 2]" 2
1301 2 6 GLU HA 2 9 ARG HG3 . . 4.190 2.512 2.334 2.737 . 0 0 "[ . 1 . 2]" 2
1302 2 106 TRP HZ2 2 110 LYS HA . . 5.350 5.229 4.994 5.355 0.005 10 0 "[ . 1 . 2]" 2
1303 2 110 LYS HA 2 113 LEU H . . 3.810 3.316 3.242 3.367 . 0 0 "[ . 1 . 2]" 2
1304 2 110 LYS HA 2 112 TYR H . . 4.310 4.026 3.988 4.081 . 0 0 "[ . 1 . 2]" 2
1305 2 110 LYS HA 2 112 TYR HD2 . . 5.110 4.715 4.637 4.781 . 0 0 "[ . 1 . 2]" 2
1306 2 110 LYS HA 2 110 LYS QD . . 4.620 4.418 4.178 4.536 . 0 0 "[ . 1 . 2]" 2
1307 2 110 LYS HA 2 113 LEU QD . . 2.940 2.261 2.180 2.314 . 0 0 "[ . 1 . 2]" 2
1308 2 109 VAL H 2 110 LYS HA . . 5.160 5.160 5.102 5.180 0.020 16 0 "[ . 1 . 2]" 2
1309 2 86 ALA MB 2 97 TYR QB . . 3.730 3.694 3.486 3.771 0.041 15 0 "[ . 1 . 2]" 2
1310 2 112 TYR HA 2 113 LEU H . . 3.520 3.540 3.518 3.553 0.033 4 0 "[ . 1 . 2]" 2
1311 2 111 LYS QB 2 112 TYR HA . . 4.590 4.644 4.608 4.672 0.082 1 0 "[ . 1 . 2]" 2
1312 2 111 LYS QG 2 112 TYR HA . . 4.290 3.341 3.245 3.978 . 0 0 "[ . 1 . 2]" 2
1313 2 95 GLN HA 2 95 GLN QG . . 3.380 3.352 3.331 3.469 0.089 14 0 "[ . 1 . 2]" 2
1314 2 95 GLN HA 2 98 PHE HD1 . . 3.720 3.102 2.966 3.260 . 0 0 "[ . 1 . 2]" 2
1315 2 98 PHE HA 2 101 THR HB . . 3.530 3.079 2.928 3.186 . 0 0 "[ . 1 . 2]" 2
1316 2 95 GLN HA 2 98 PHE HB3 . . 3.760 2.234 2.138 2.433 . 0 0 "[ . 1 . 2]" 2
1317 2 94 THR MG 2 95 GLN HA . . 4.030 3.582 3.476 3.848 . 0 0 "[ . 1 . 2]" 2
1318 2 98 PHE HA 2 102 LEU QD . . 4.620 3.786 2.598 4.200 . 0 0 "[ . 1 . 2]" 2
1319 2 98 PHE HA 2 101 THR H . . 4.730 3.704 3.582 3.803 . 0 0 "[ . 1 . 2]" 2
1320 2 97 TYR HE2 2 98 PHE HA . . 4.840 4.350 4.296 4.410 . 0 0 "[ . 1 . 2]" 2
1321 2 66 MET H 2 67 LYS HA . . 5.470 5.184 5.163 5.219 . 0 0 "[ . 1 . 2]" 2
1322 2 67 LYS HA 2 69 GLY H . . 4.460 3.400 3.271 3.484 . 0 0 "[ . 1 . 2]" 2
1323 2 67 LYS HA 2 67 LYS HG2 . . 3.200 2.811 2.328 3.137 . 0 0 "[ . 1 . 2]" 2
1324 2 86 ALA MB 2 98 PHE H . . 5.090 5.090 4.977 5.132 0.042 5 0 "[ . 1 . 2]" 2
1325 2 86 ALA MB 2 98 PHE HA . . 5.500 5.538 5.506 5.577 0.077 12 0 "[ . 1 . 2]" 2
1326 2 86 ALA MB 2 94 THR MG . . 3.250 1.992 1.906 2.072 . 0 0 "[ . 1 . 2]" 2
1327 2 85 LYS HA 2 88 GLU H . . 5.010 4.183 3.798 4.486 . 0 0 "[ . 1 . 2]" 2
1328 2 7 GLU HA 2 9 ARG H . . 5.120 4.758 4.647 4.816 . 0 0 "[ . 1 . 2]" 2
1329 2 6 GLU H 2 7 GLU HA . . 5.460 5.279 5.247 5.346 . 0 0 "[ . 1 . 2]" 2
1330 2 7 GLU HA 2 10 LYS QE . . 3.540 3.265 3.052 3.459 . 0 0 "[ . 1 . 2]" 2
1331 2 6 GLU QG 2 7 GLU HA . . 3.760 3.495 3.420 3.572 . 0 0 "[ . 1 . 2]" 2
1332 2 13 VAL H 2 14 LYS HA . . 5.360 5.160 5.085 5.216 . 0 0 "[ . 1 . 2]" 2
1333 2 14 LYS H 2 14 LYS HA . . 2.920 2.898 2.884 2.906 . 0 0 "[ . 1 . 2]" 2
1334 2 14 LYS HA 2 14 LYS QB . . 2.570 2.168 2.153 2.182 . 0 0 "[ . 1 . 2]" 2
1335 2 14 LYS HA 2 14 LYS HG3 . . 3.670 3.597 3.575 3.636 . 0 0 "[ . 1 . 2]" 2
1336 2 13 VAL HA 2 14 LYS HA . . 4.880 4.704 4.688 4.719 . 0 0 "[ . 1 . 2]" 2
1337 2 77 LEU H 2 78 GLU HA . . 5.150 5.144 5.082 5.182 0.032 19 0 "[ . 1 . 2]" 2
1338 2 11 GLU HA 2 14 LYS H . . 3.970 3.447 3.339 3.534 . 0 0 "[ . 1 . 2]" 2
1339 2 10 LYS HA 2 11 GLU HA . . 5.180 4.687 4.652 4.719 . 0 0 "[ . 1 . 2]" 2
1340 2 77 LEU HA 2 78 GLU HA . . 5.500 4.742 4.719 4.773 . 0 0 "[ . 1 . 2]" 2
1341 2 11 GLU HA 2 11 GLU QB . . 2.550 2.417 2.357 2.450 . 0 0 "[ . 1 . 2]" 2
1342 2 11 GLU HA 2 13 VAL H . . 4.840 4.385 4.267 4.475 . 0 0 "[ . 1 . 2]" 2
1343 2 11 GLU HA 2 12 LEU HA . . 5.020 4.755 4.729 4.777 . 0 0 "[ . 1 . 2]" 2
1344 2 10 LYS QE 2 11 GLU HA . . 4.570 3.725 3.280 4.056 . 0 0 "[ . 1 . 2]" 2
1345 2 11 GLU HA 2 14 LYS QE . . 4.890 4.048 3.204 4.583 . 0 0 "[ . 1 . 2]" 2
1346 2 11 GLU HA 2 14 LYS QB . . 3.360 3.459 3.361 3.527 0.167 11 0 "[ . 1 . 2]" 2
1347 2 64 TYR H 2 65 LEU HA . . 5.390 5.280 5.256 5.299 . 0 0 "[ . 1 . 2]" 2
1348 2 63 LEU HA 2 65 LEU H . . 5.480 4.789 4.741 4.823 . 0 0 "[ . 1 . 2]" 2
1349 2 106 TRP HA 2 109 VAL HB . . 4.220 2.872 2.730 3.883 . 0 0 "[ . 1 . 2]" 2
1350 2 71 THR MG 2 106 TRP HA . . 4.940 4.698 4.519 4.968 0.028 3 0 "[ . 1 . 2]" 2
1351 2 62 ILE MG 2 106 TRP HA . . 5.390 5.103 4.875 5.275 . 0 0 "[ . 1 . 2]" 2
1352 2 37 ILE MD 2 65 LEU HA . . 5.500 5.576 5.512 5.625 0.125 2 0 "[ . 1 . 2]" 2
1353 2 29 CYS HA 2 41 ILE MG . . 5.500 4.394 3.776 4.740 . 0 0 "[ . 1 . 2]" 2
1354 2 28 ILE MG 2 29 CYS HA . . 3.450 3.231 3.073 3.333 . 0 0 "[ . 1 . 2]" 2
1355 2 82 ARG HA 2 82 ARG QD . . 3.830 3.712 3.601 3.850 0.020 1 0 "[ . 1 . 2]" 2
1356 2 82 ARG HA 2 87 LYS HB2 . . 3.290 3.421 3.227 3.535 0.245 13 0 "[ . 1 . 2]" 2
1357 2 110 LYS H 2 111 LYS HA . . 5.470 5.311 5.275 5.337 . 0 0 "[ . 1 . 2]" 2
1358 2 111 LYS HA 2 112 TYR HA . . 5.500 4.731 4.682 4.748 . 0 0 "[ . 1 . 2]" 2
1359 2 111 LYS HA 2 111 LYS QE . . 4.470 4.166 3.966 4.294 . 0 0 "[ . 1 . 2]" 2
1360 2 111 LYS HA 2 111 LYS QB . . 2.550 2.178 2.171 2.193 . 0 0 "[ . 1 . 2]" 2
1361 2 77 LEU HA 2 79 LEU H . . 4.730 4.425 4.245 4.571 . 0 0 "[ . 1 . 2]" 2
1362 2 77 LEU HA 2 98 PHE HD2 . . 4.430 3.955 3.165 4.452 0.022 17 0 "[ . 1 . 2]" 2
1363 2 77 LEU HA 2 77 LEU MD2 . . 3.860 3.529 3.514 3.549 . 0 0 "[ . 1 . 2]" 2
1364 2 102 LEU HA 2 104 LYS H . . 4.940 4.298 4.197 4.410 . 0 0 "[ . 1 . 2]" 2
1365 2 102 LEU HA 2 102 LEU HG . . 3.520 2.435 2.172 2.567 . 0 0 "[ . 1 . 2]" 2
1366 2 102 LEU HA 2 105 ALA MB . . 3.000 2.373 2.238 2.461 . 0 0 "[ . 1 . 2]" 2
1367 2 62 ILE MG 2 102 LEU HA . . 3.500 3.334 3.173 3.437 . 0 0 "[ . 1 . 2]" 2
1368 2 102 LEU HA 2 102 LEU QD . . 2.990 2.138 1.949 2.806 . 0 0 "[ . 1 . 2]" 2
1369 2 82 ARG HA 2 87 LYS HA . . 4.980 4.288 3.743 4.714 . 0 0 "[ . 1 . 2]" 2
1370 2 86 ALA H 2 87 LYS HA . . 5.210 4.991 4.881 5.109 . 0 0 "[ . 1 . 2]" 2
1371 2 87 LYS HA 2 87 LYS QG . . 3.410 2.500 2.459 2.549 . 0 0 "[ . 1 . 2]" 2
1372 2 4 GLU HA 2 4 GLU QG . . 2.900 2.479 2.282 2.976 0.076 14 0 "[ . 1 . 2]" 2
1373 2 4 GLU HA 2 6 GLU H . . 4.860 4.108 4.014 4.224 . 0 0 "[ . 1 . 2]" 2
1374 2 8 LEU HA 2 106 TRP HD1 . . 4.950 4.496 4.299 4.849 . 0 0 "[ . 1 . 2]" 2
1375 2 8 LEU HA 2 12 LEU HG . . 4.600 3.473 3.265 4.167 . 0 0 "[ . 1 . 2]" 2
1376 2 8 LEU HA 2 12 LEU QD . . 4.800 3.723 3.605 4.422 . 0 0 "[ . 1 . 2]" 2
1377 2 5 PHE HA 2 8 LEU HA . . 5.430 5.482 5.445 5.538 0.108 9 0 "[ . 1 . 2]" 2
1378 2 8 LEU HA 2 8 LEU HG . . 3.780 3.631 3.615 3.666 . 0 0 "[ . 1 . 2]" 2
1379 2 8 LEU HA 2 8 LEU QD . . 2.810 1.845 1.821 2.018 . 0 0 "[ . 1 . 2]" 2
1380 2 58 ASP HA 2 61 VAL HB . . 4.160 3.980 3.882 4.064 . 0 0 "[ . 1 . 2]" 2
1381 2 58 ASP HA 2 62 ILE HG13 . . 4.130 3.736 3.690 3.783 . 0 0 "[ . 1 . 2]" 2
1382 2 58 ASP HA 2 62 ILE MD . . 4.470 3.988 3.945 4.048 . 0 0 "[ . 1 . 2]" 2
1383 2 74 ASP HA 2 77 LEU QB . . 5.500 2.994 2.570 3.361 . 0 0 "[ . 1 . 2]" 2
1384 2 74 ASP HA 2 77 LEU MD2 . . 4.220 3.970 3.609 4.254 0.034 12 0 "[ . 1 . 2]" 2
1385 2 47 TYR H 2 48 ALA MB . . 4.030 3.497 3.395 4.161 0.131 1 0 "[ . 1 . 2]" 2
1386 2 48 ALA H 2 48 ALA MB . . 2.830 2.180 2.161 2.187 . 0 0 "[ . 1 . 2]" 2
1387 2 48 ALA MB 2 51 ASN H . . 4.370 4.283 4.180 4.344 . 0 0 "[ . 1 . 2]" 2
1388 2 48 ALA MB 2 49 ASP H . . 3.060 3.001 2.990 3.018 . 0 0 "[ . 1 . 2]" 2
1389 2 48 ALA MB 2 50 VAL H . . 4.780 4.708 4.645 4.767 . 0 0 "[ . 1 . 2]" 2
1390 2 47 TYR HD2 2 48 ALA MB . . 5.310 3.971 3.350 4.642 . 0 0 "[ . 1 . 2]" 2
1391 2 45 LYS HA 2 48 ALA MB . . 4.880 4.759 4.515 4.907 0.027 19 0 "[ . 1 . 2]" 2
1392 2 46 THR MG 2 48 ALA MB . . 5.500 3.508 2.439 3.704 . 0 0 "[ . 1 . 2]" 2
1393 2 24 ILE MG 2 26 GLU H . . 4.910 4.645 4.597 4.710 . 0 0 "[ . 1 . 2]" 2
1394 2 24 ILE HA 2 24 ILE MG . . 2.740 2.598 2.544 2.642 . 0 0 "[ . 1 . 2]" 2
1395 2 24 ILE MG 2 25 LYS QE . . 4.560 3.951 3.533 4.215 . 0 0 "[ . 1 . 2]" 2
1396 2 24 ILE MG 2 28 ILE H . . 4.730 4.571 4.414 4.657 . 0 0 "[ . 1 . 2]" 2
1397 2 24 ILE H 2 24 ILE MG . . 3.880 3.678 3.655 3.695 . 0 0 "[ . 1 . 2]" 2
1398 2 24 ILE MG 2 65 LEU HA . . 4.690 4.383 4.124 4.695 0.005 9 0 "[ . 1 . 2]" 2
1399 2 24 ILE MG 2 65 LEU MD2 . . 3.900 3.067 2.798 3.414 . 0 0 "[ . 1 . 2]" 2
1400 2 24 ILE MG 2 25 LYS HB3 . . 3.850 3.365 3.272 3.512 . 0 0 "[ . 1 . 2]" 2
1401 2 24 ILE MG 2 28 ILE MD . . 5.500 2.114 1.923 2.264 . 0 0 "[ . 1 . 2]" 2
1402 2 68 HIS HA 2 70 VAL H . . 4.970 4.470 4.360 4.574 . 0 0 "[ . 1 . 2]" 2
1403 2 48 ALA MB 2 49 ASP HA . . 4.010 3.954 3.929 3.979 . 0 0 "[ . 1 . 2]" 2
1404 2 49 ASP HA 2 51 ASN H . . 4.240 4.218 4.154 4.276 0.036 15 0 "[ . 1 . 2]" 2
1405 2 49 ASP HA 2 50 VAL MG1 . . 4.870 4.409 4.345 4.475 . 0 0 "[ . 1 . 2]" 2
1406 2 23 LYS HA 2 24 ILE HA . . 5.010 4.778 4.734 4.817 . 0 0 "[ . 1 . 2]" 2
1407 2 23 LYS HA 2 23 LYS QE . . 4.020 2.480 2.350 2.648 . 0 0 "[ . 1 . 2]" 2
1408 2 22 GLU QG 2 23 LYS HA . . 3.820 3.492 3.446 3.511 . 0 0 "[ . 1 . 2]" 2
1409 2 23 LYS HA 2 26 GLU QB . . 2.920 2.251 2.126 2.353 . 0 0 "[ . 1 . 2]" 2
1410 2 23 LYS HA 2 23 LYS QD . . 3.030 2.054 1.988 2.085 . 0 0 "[ . 1 . 2]" 2
1411 2 23 LYS HA 2 23 LYS HG2 . . 3.320 3.142 3.062 3.191 . 0 0 "[ . 1 . 2]" 2
1412 2 22 GLU H 2 23 LYS HA . . 5.300 5.280 5.266 5.298 . 0 0 "[ . 1 . 2]" 2
1413 2 76 ILE MG 2 77 LEU H . . 3.740 3.368 2.999 3.654 . 0 0 "[ . 1 . 2]" 2
1414 2 76 ILE H 2 76 ILE MG . . 3.850 3.727 3.646 3.763 . 0 0 "[ . 1 . 2]" 2
1415 2 76 ILE HA 2 76 ILE MG . . 3.670 2.426 2.251 2.614 . 0 0 "[ . 1 . 2]" 2
1416 2 62 ILE HG12 2 76 ILE MG . . 3.370 2.584 2.258 3.337 . 0 0 "[ . 1 . 2]" 2
1417 2 76 ILE MG 2 77 LEU QB . . 4.250 3.905 3.480 4.157 . 0 0 "[ . 1 . 2]" 2
1418 2 62 ILE MG 2 105 ALA MB . . 2.480 2.233 2.200 2.265 . 0 0 "[ . 1 . 2]" 2
1419 2 76 ILE MG 2 102 LEU QD . . 3.080 2.085 1.767 2.179 . 0 0 "[ . 1 . 2]" 2
1420 2 63 LEU H 2 105 ALA MB . . 4.160 4.093 3.936 4.186 0.026 1 0 "[ . 1 . 2]" 2
1421 2 76 ILE MG 2 102 LEU HG . . 3.280 2.623 2.295 3.168 . 0 0 "[ . 1 . 2]" 2
1422 2 12 LEU QD 2 76 ILE MG . . 5.370 4.830 4.543 5.214 . 0 0 "[ . 1 . 2]" 2
1423 2 12 LEU QD 2 105 ALA MB . . 5.500 4.728 4.645 4.832 . 0 0 "[ . 1 . 2]" 2
1424 2 40 ILE MG 2 61 VAL H . . 4.780 4.441 4.292 4.643 . 0 0 "[ . 1 . 2]" 2
1425 2 40 ILE MG 2 41 ILE H . . 3.460 3.483 3.335 3.575 0.115 9 0 "[ . 1 . 2]" 2
1426 2 40 ILE MG 2 42 CYS H . . 5.130 5.056 4.927 5.165 0.035 9 0 "[ . 1 . 2]" 2
1427 2 40 ILE MG 2 43 GLU H . . 5.410 4.471 4.296 4.629 . 0 0 "[ . 1 . 2]" 2
1428 2 40 ILE MG 2 43 GLU HA . . 5.400 4.556 4.285 4.943 . 0 0 "[ . 1 . 2]" 2
1429 2 40 ILE MG 2 47 TYR HA . . 5.500 5.086 4.849 5.250 . 0 0 "[ . 1 . 2]" 2
1430 2 40 ILE MG 2 41 ILE HA . . 3.740 3.449 3.402 3.592 . 0 0 "[ . 1 . 2]" 2
1431 2 40 ILE HA 2 40 ILE MG . . 3.130 2.393 2.240 2.505 . 0 0 "[ . 1 . 2]" 2
1432 2 40 ILE MG 2 61 VAL HA . . 4.360 4.239 3.891 4.473 0.113 9 0 "[ . 1 . 2]" 2
1433 2 100 ILE HA 2 100 ILE MG . . 3.380 2.554 2.531 2.585 . 0 0 "[ . 1 . 2]" 2
1434 2 62 ILE H 2 62 ILE MG . . 3.760 3.713 3.691 3.727 . 0 0 "[ . 1 . 2]" 2
1435 2 62 ILE MG 2 65 LEU H . . 5.360 5.069 5.013 5.136 . 0 0 "[ . 1 . 2]" 2
1436 2 62 ILE MG 2 102 LEU H . . 5.500 5.220 5.079 5.340 . 0 0 "[ . 1 . 2]" 2
1437 2 62 ILE MG 2 63 LEU H . . 3.660 3.313 3.233 3.397 . 0 0 "[ . 1 . 2]" 2
1438 2 59 TRP HA 2 62 ILE MG . . 4.430 4.315 4.208 4.391 . 0 0 "[ . 1 . 2]" 2
1439 2 62 ILE HA 2 62 ILE MG . . 3.090 2.538 2.513 2.555 . 0 0 "[ . 1 . 2]" 2
1440 2 62 ILE HG12 2 62 ILE MG . . 3.320 2.353 2.342 2.383 . 0 0 "[ . 1 . 2]" 2
1441 2 62 ILE MG 2 102 LEU HG . . 3.290 3.260 2.696 3.404 0.114 16 0 "[ . 1 . 2]" 2
1442 2 62 ILE MD 2 62 ILE MG . . 2.430 1.979 1.969 1.988 . 0 0 "[ . 1 . 2]" 2
1443 2 62 ILE MG 2 102 LEU QD . . 3.050 2.596 2.215 3.141 0.091 8 0 "[ . 1 . 2]" 2
1444 2 12 LEU QD 2 62 ILE MG . . 5.100 4.618 4.440 4.730 . 0 0 "[ . 1 . 2]" 2
1445 2 114 GLU HA 2 115 ALA H . . 3.400 2.370 2.325 2.492 . 0 0 "[ . 1 . 2]" 2
1446 2 111 LYS HA 2 114 GLU HA . . 4.810 4.815 4.757 5.028 0.218 6 0 "[ . 1 . 2]" 2
1447 2 113 LEU QB 2 114 GLU HA . . 4.780 4.717 4.689 4.783 0.003 13 0 "[ . 1 . 2]" 2
1448 2 113 LEU QD 2 114 GLU HA . . 4.110 2.754 2.660 3.038 . 0 0 "[ . 1 . 2]" 2
1449 2 41 ILE H 2 41 ILE MG . . 3.840 3.706 3.661 3.731 . 0 0 "[ . 1 . 2]" 2
1450 2 25 LYS H 2 41 ILE MG . . 4.140 3.968 3.792 4.067 . 0 0 "[ . 1 . 2]" 2
1451 2 41 ILE MG 2 42 CYS H . . 3.750 3.359 3.173 3.509 . 0 0 "[ . 1 . 2]" 2
1452 2 41 ILE MG 2 64 TYR HE2 . . 4.920 4.163 3.813 4.631 . 0 0 "[ . 1 . 2]" 2
1453 2 25 LYS QE 2 41 ILE MG . . 3.820 3.859 3.644 3.960 0.140 10 0 "[ . 1 . 2]" 2
1454 2 28 ILE MG 2 41 ILE MG . . 2.500 2.224 2.116 2.383 . 0 0 "[ . 1 . 2]" 2
1455 2 28 ILE H 2 41 ILE MG . . 4.510 3.915 3.761 4.016 . 0 0 "[ . 1 . 2]" 2
1456 2 41 ILE MG 2 42 CYS HA . . 3.500 3.367 3.236 3.526 0.026 5 0 "[ . 1 . 2]" 2
1457 2 88 GLU HA 2 88 GLU QG . . 3.430 2.666 2.458 2.810 . 0 0 "[ . 1 . 2]" 2
1458 2 87 LYS QG 2 88 GLU HA . . 4.260 3.939 3.729 4.398 0.138 20 0 "[ . 1 . 2]" 2
1459 2 28 ILE MG 2 41 ILE H . . 4.800 4.632 4.425 4.803 0.003 17 0 "[ . 1 . 2]" 2
1460 2 28 ILE H 2 28 ILE MG . . 3.690 3.738 3.723 3.750 0.060 13 0 "[ . 1 . 2]" 2
1461 2 28 ILE MG 2 64 TYR HD2 . . 5.500 3.955 3.581 4.354 . 0 0 "[ . 1 . 2]" 2
1462 2 28 ILE MG 2 64 TYR HE2 . . 5.500 2.331 2.037 2.823 . 0 0 "[ . 1 . 2]" 2
1463 2 28 ILE HA 2 28 ILE MG . . 2.930 2.477 2.449 2.521 . 0 0 "[ . 1 . 2]" 2
1464 2 28 ILE MG 2 41 ILE HB . . 3.890 2.865 2.689 3.076 . 0 0 "[ . 1 . 2]" 2
1465 2 28 ILE MG 2 31 LYS HB2 . . 5.500 3.694 3.320 3.952 . 0 0 "[ . 1 . 2]" 2
1466 2 45 LYS HA 2 46 THR H . . 3.280 2.711 2.631 2.778 . 0 0 "[ . 1 . 2]" 2
1467 2 45 LYS HA 2 49 ASP QB . . 4.630 4.423 4.206 4.564 . 0 0 "[ . 1 . 2]" 2
1468 2 45 LYS HA 2 45 LYS HG2 . . 3.240 3.032 2.948 3.113 . 0 0 "[ . 1 . 2]" 2
1469 2 78 GLU H 2 79 LEU HA . . 5.500 5.218 5.129 5.275 . 0 0 "[ . 1 . 2]" 2
1470 2 79 LEU HA 2 79 LEU HG . . 3.720 3.705 3.675 3.728 0.008 20 0 "[ . 1 . 2]" 2
1471 2 28 ILE MG 2 30 THR H . . 4.880 4.659 4.543 4.774 . 0 0 "[ . 1 . 2]" 2
1472 2 112 TYR HD2 2 113 LEU HA . . 4.740 4.609 4.425 4.705 . 0 0 "[ . 1 . 2]" 2
1473 2 30 THR H 2 31 LYS HA . . 5.500 4.988 4.845 5.138 . 0 0 "[ . 1 . 2]" 2
1474 2 31 LYS HA 2 31 LYS QE . . 5.130 4.532 3.994 4.948 . 0 0 "[ . 1 . 2]" 2
1475 2 31 LYS HA 2 31 LYS QD . . 4.150 3.782 2.051 3.986 . 0 0 "[ . 1 . 2]" 2
1476 2 105 ALA HA 2 109 VAL H . . 4.620 4.448 4.319 4.528 . 0 0 "[ . 1 . 2]" 2
1477 2 105 ALA HA 2 108 VAL HB . . 4.210 3.465 2.888 4.258 0.048 15 0 "[ . 1 . 2]" 2
1478 2 62 ILE MG 2 105 ALA HA . . 4.530 4.572 4.542 4.597 0.067 11 0 "[ . 1 . 2]" 2
1479 2 15 ARG HA 2 16 ASP HA . . 4.880 4.803 4.787 4.829 . 0 0 "[ . 1 . 2]" 2
1480 2 15 ARG HA 2 15 ARG QG . . 3.090 2.643 2.357 2.814 . 0 0 "[ . 1 . 2]" 2
1481 2 14 LYS HG3 2 15 ARG HA . . 3.830 3.929 3.866 3.971 0.141 16 0 "[ . 1 . 2]" 2
1482 2 15 ARG HA 2 16 ASP QB . . 5.300 5.034 4.942 5.098 . 0 0 "[ . 1 . 2]" 2
1483 2 47 TYR HA 2 48 ALA HA . . 4.910 4.834 4.809 4.847 . 0 0 "[ . 1 . 2]" 2
1484 2 48 ALA HA 2 49 ASP QB . . 5.440 5.112 5.090 5.147 . 0 0 "[ . 1 . 2]" 2
1485 2 48 ALA HA 2 50 VAL H . . 4.450 4.158 4.056 4.243 . 0 0 "[ . 1 . 2]" 2
1486 2 48 ALA HA 2 51 ASN HA . . 3.770 2.846 2.633 2.977 . 0 0 "[ . 1 . 2]" 2
1487 2 47 TYR H 2 52 ILE MG . . 4.840 4.705 4.476 4.781 . 0 0 "[ . 1 . 2]" 2
1488 2 48 ALA H 2 52 ILE MG . . 4.930 4.886 4.750 4.948 0.018 10 0 "[ . 1 . 2]" 2
1489 2 52 ILE MG 2 57 GLY HA3 . . 3.470 2.717 2.569 2.787 . 0 0 "[ . 1 . 2]" 2
1490 2 40 ILE MD 2 52 ILE MG . . 4.240 4.115 3.879 4.270 0.030 1 0 "[ . 1 . 2]" 2
1491 2 52 ILE MG 2 57 GLY H . . 3.790 2.895 2.783 3.002 . 0 0 "[ . 1 . 2]" 2
1492 2 51 ASN HA 2 52 ILE MG . . 4.810 4.438 4.271 4.504 . 0 0 "[ . 1 . 2]" 2
1493 2 52 ILE MG 2 57 GLY HA2 . . 3.810 2.751 2.555 2.860 . 0 0 "[ . 1 . 2]" 2
1494 2 52 ILE MD 2 52 ILE MG . . 2.930 2.048 2.031 2.075 . 0 0 "[ . 1 . 2]" 2
1495 2 44 ASN HA 2 45 LYS HG2 . . 4.660 4.282 4.200 4.370 . 0 0 "[ . 1 . 2]" 2
1496 2 19 LYS HA 2 20 PRO HD2 . . 3.360 2.249 2.172 2.314 . 0 0 "[ . 1 . 2]" 2
1497 2 19 LYS HA 2 19 LYS QE . . 4.390 4.174 3.988 4.397 0.007 7 0 "[ . 1 . 2]" 2
1498 2 19 LYS HA 2 20 PRO HG2 . . 4.620 4.436 4.376 4.482 . 0 0 "[ . 1 . 2]" 2
1499 2 52 ILE MG 2 53 ASP HA . . 4.870 4.239 4.158 4.309 . 0 0 "[ . 1 . 2]" 2
1500 2 53 ASP HA 2 54 ARG QB . . 5.060 4.533 4.430 4.577 . 0 0 "[ . 1 . 2]" 2
1501 2 51 ASN HA 2 51 ASN HD22 . . 4.420 2.501 1.885 4.092 . 0 0 "[ . 1 . 2]" 2
1502 2 48 ALA MB 2 51 ASN HA . . 4.490 4.400 4.241 4.515 0.025 1 0 "[ . 1 . 2]" 2
1503 2 22 GLU H 2 24 ILE MD . . 4.950 4.303 4.164 4.356 . 0 0 "[ . 1 . 2]" 2
1504 2 21 VAL H 2 24 ILE MD . . 4.350 4.017 3.901 4.076 . 0 0 "[ . 1 . 2]" 2
1505 2 24 ILE MD 2 25 LYS H . . 4.050 4.110 4.065 4.143 0.093 3 0 "[ . 1 . 2]" 2
1506 2 19 LYS H 2 24 ILE MD . . 4.710 4.367 4.061 4.516 . 0 0 "[ . 1 . 2]" 2
1507 2 24 ILE MD 2 70 VAL HA . . 4.860 4.713 4.551 4.879 0.019 15 0 "[ . 1 . 2]" 2
1508 2 24 ILE HB 2 24 ILE MD . . 3.300 2.423 2.361 2.461 . 0 0 "[ . 1 . 2]" 2
1509 2 20 PRO HA 2 24 ILE MD . . 4.920 4.273 4.128 4.356 . 0 0 "[ . 1 . 2]" 2
1510 2 62 ILE H 2 62 ILE MD . . 3.870 3.587 3.564 3.607 . 0 0 "[ . 1 . 2]" 2
1511 2 62 ILE MD 2 102 LEU H . . 4.810 4.770 4.658 4.836 0.026 15 0 "[ . 1 . 2]" 2
1512 2 62 ILE MD 2 63 LEU H . . 4.950 4.747 4.719 4.795 . 0 0 "[ . 1 . 2]" 2
1513 2 62 ILE MD 2 76 ILE HA . . 4.500 4.526 4.478 4.609 0.109 17 0 "[ . 1 . 2]" 2
1514 2 62 ILE HB 2 62 ILE MD . . 3.220 2.349 2.334 2.363 . 0 0 "[ . 1 . 2]" 2
1515 2 62 ILE MD 2 76 ILE MG . . 2.680 2.267 2.197 2.455 . 0 0 "[ . 1 . 2]" 2
1516 2 62 ILE MD 2 102 LEU QD . . 3.480 3.064 2.493 3.361 . 0 0 "[ . 1 . 2]" 2
1517 2 100 ILE H 2 100 ILE MD . . 4.420 3.507 3.401 3.571 . 0 0 "[ . 1 . 2]" 2
1518 2 92 TRP HZ2 2 100 ILE MD . . 4.500 4.225 4.102 4.440 . 0 0 "[ . 1 . 2]" 2
1519 2 92 TRP HZ3 2 100 ILE MD . . 3.970 2.535 2.324 2.805 . 0 0 "[ . 1 . 2]" 2
1520 2 100 ILE HB 2 100 ILE MD . . 3.220 2.321 2.272 2.351 . 0 0 "[ . 1 . 2]" 2
1521 2 100 ILE MD 2 100 ILE MG . . 2.980 1.988 1.970 2.012 . 0 0 "[ . 1 . 2]" 2
1522 2 99 VAL QG 2 100 ILE MD . . 5.050 4.308 4.197 4.431 . 0 0 "[ . 1 . 2]" 2
1523 2 52 ILE MD 2 57 GLY H . . 3.950 3.554 3.448 3.697 . 0 0 "[ . 1 . 2]" 2
1524 2 52 ILE MD 2 57 GLY HA2 . . 3.580 2.829 2.643 3.080 . 0 0 "[ . 1 . 2]" 2
1525 2 52 ILE MD 2 56 ARG HB2 . . 4.460 2.750 2.188 3.066 . 0 0 "[ . 1 . 2]" 2
1526 2 52 ILE HB 2 52 ILE MD . . 2.790 2.275 2.243 2.302 . 0 0 "[ . 1 . 2]" 2
1527 2 79 LEU QD 2 80 LEU HA . . 3.390 2.637 2.505 2.856 . 0 0 "[ . 1 . 2]" 2
1528 2 12 LEU QD 2 76 ILE MD . . 4.380 4.245 3.532 4.520 0.140 12 0 "[ . 1 . 2]" 2
1529 2 76 ILE MD 2 77 LEU H . . 4.690 4.410 4.016 4.622 . 0 0 "[ . 1 . 2]" 2
1530 2 75 LYS H 2 76 ILE MD . . 4.440 4.169 3.350 4.585 0.145 9 0 "[ . 1 . 2]" 2
1531 2 76 ILE HA 2 76 ILE MD . . 3.200 2.356 2.054 2.939 . 0 0 "[ . 1 . 2]" 2
1532 2 73 PRO QD 2 76 ILE MD . . 5.500 5.038 4.042 5.612 0.112 15 0 "[ . 1 . 2]" 2
1533 2 62 ILE HA 2 76 ILE MD . . 4.510 3.574 3.155 4.344 . 0 0 "[ . 1 . 2]" 2
1534 2 76 ILE MD 2 102 LEU HG . . 4.470 4.410 4.014 4.576 0.106 19 0 "[ . 1 . 2]" 2
1535 2 76 ILE MD 2 102 LEU QD . . 2.980 2.788 2.399 3.159 0.179 11 0 "[ . 1 . 2]" 2
1536 2 86 ALA HA 2 94 THR HB . . 5.220 5.105 4.734 5.314 0.094 19 0 "[ . 1 . 2]" 2
1537 2 46 THR MG 2 83 ASP HA . . 5.280 5.023 4.899 5.205 . 0 0 "[ . 1 . 2]" 2
1538 2 12 LEU QD 2 72 ASP HA . . 5.040 3.745 3.594 3.881 . 0 0 "[ . 1 . 2]" 2
1539 2 72 ASP HA 2 75 LYS H . . 5.500 5.122 4.774 5.382 . 0 0 "[ . 1 . 2]" 2
1540 2 12 LEU HA 2 72 ASP HA . . 4.750 4.645 4.402 4.804 0.054 12 0 "[ . 1 . 2]" 2
1541 2 16 ASP QB 2 72 ASP HA . . 4.920 3.293 3.084 3.642 . 0 0 "[ . 1 . 2]" 2
1542 2 13 VAL MG2 2 72 ASP HA . . 3.620 2.752 2.585 2.886 . 0 0 "[ . 1 . 2]" 2
1543 2 71 THR MG 2 72 ASP HA . . 4.050 3.754 3.478 3.924 . 0 0 "[ . 1 . 2]" 2
1544 2 12 LEU HG 2 72 ASP HA . . 5.490 5.566 5.301 5.716 0.226 18 0 "[ . 1 . 2]" 2
1545 2 41 ILE H 2 41 ILE MD . . 3.810 3.723 3.649 3.821 0.011 3 0 "[ . 1 . 2]" 2
1546 2 25 LYS H 2 41 ILE MD . . 5.430 5.454 5.290 5.514 0.084 15 0 "[ . 1 . 2]" 2
1547 2 41 ILE MD 2 42 CYS H . . 5.300 4.835 4.807 4.855 . 0 0 "[ . 1 . 2]" 2
1548 2 41 ILE MD 2 43 GLU H . . 5.500 4.984 4.827 5.092 . 0 0 "[ . 1 . 2]" 2
1549 2 41 ILE MD 2 64 TYR HD2 . . 4.650 2.995 2.339 3.572 . 0 0 "[ . 1 . 2]" 2
1550 2 41 ILE MD 2 64 TYR HE2 . . 4.570 4.016 3.307 4.592 0.022 10 0 "[ . 1 . 2]" 2
1551 2 41 ILE HA 2 41 ILE MD . . 2.870 2.007 1.982 2.022 . 0 0 "[ . 1 . 2]" 2
1552 2 41 ILE MD 2 61 VAL HA . . 4.470 3.802 3.615 4.122 . 0 0 "[ . 1 . 2]" 2
1553 2 25 LYS QE 2 41 ILE MD . . 5.450 5.026 4.900 5.222 . 0 0 "[ . 1 . 2]" 2
1554 2 41 ILE HB 2 41 ILE MD . . 3.270 3.249 3.241 3.255 . 0 0 "[ . 1 . 2]" 2
1555 2 37 ILE MD 2 41 ILE MD . . 3.850 3.239 2.766 3.837 . 0 0 "[ . 1 . 2]" 2
1556 2 41 ILE MD 2 65 LEU H . . 4.620 3.944 3.707 4.292 . 0 0 "[ . 1 . 2]" 2
1557 2 13 VAL MG2 2 73 PRO QD . . 3.520 2.251 2.129 2.427 . 0 0 "[ . 1 . 2]" 2
1558 2 73 PRO QD 2 75 LYS H . . 5.250 4.753 4.512 4.996 . 0 0 "[ . 1 . 2]" 2
1559 2 72 ASP HA 2 73 PRO QD . . 3.410 1.956 1.919 1.999 . 0 0 "[ . 1 . 2]" 2
1560 2 71 THR MG 2 73 PRO QD . . 4.410 3.881 3.776 4.008 . 0 0 "[ . 1 . 2]" 2
1561 2 12 LEU HG 2 73 PRO QD . . 4.070 4.003 3.854 4.077 0.007 18 0 "[ . 1 . 2]" 2
1562 2 12 LEU QD 2 73 PRO QD . . 4.830 2.279 2.116 2.530 . 0 0 "[ . 1 . 2]" 2
1563 2 13 VAL H 2 73 PRO QD . . 5.030 3.727 3.617 3.873 . 0 0 "[ . 1 . 2]" 2
1564 2 20 PRO HD2 2 23 LYS H . . 4.470 4.200 4.105 4.269 . 0 0 "[ . 1 . 2]" 2
1565 2 20 PRO HD2 2 23 LYS QE . . 5.060 4.540 4.433 5.093 0.033 11 0 "[ . 1 . 2]" 2
1566 2 19 LYS QG 2 20 PRO HD2 . . 4.670 4.040 3.435 4.341 . 0 0 "[ . 1 . 2]" 2
1567 2 20 PRO HD2 2 23 LYS QD . . 4.250 3.975 3.881 4.098 . 0 0 "[ . 1 . 2]" 2
1568 2 20 PRO HD2 2 23 LYS HG2 . . 3.340 2.649 2.589 2.742 . 0 0 "[ . 1 . 2]" 2
1569 2 40 ILE MD 2 48 ALA H . . 5.180 4.574 4.357 4.691 . 0 0 "[ . 1 . 2]" 2
1570 2 40 ILE MD 2 41 ILE H . . 4.910 4.743 4.640 4.798 . 0 0 "[ . 1 . 2]" 2
1571 2 40 ILE MD 2 46 THR H . . 4.680 2.986 2.787 3.317 . 0 0 "[ . 1 . 2]" 2
1572 2 40 ILE H 2 40 ILE MD . . 3.440 3.417 3.198 3.637 0.197 15 0 "[ . 1 . 2]" 2
1573 2 40 ILE MD 2 50 VAL H . . 4.190 4.235 4.103 4.318 0.128 9 0 "[ . 1 . 2]" 2
1574 2 40 ILE MD 2 46 THR HA . . 3.600 2.165 1.965 2.305 . 0 0 "[ . 1 . 2]" 2
1575 2 40 ILE MD 2 46 THR HB . . 4.620 4.145 3.989 4.280 . 0 0 "[ . 1 . 2]" 2
1576 2 40 ILE HA 2 40 ILE MD . . 2.880 2.024 1.972 2.140 . 0 0 "[ . 1 . 2]" 2
1577 2 40 ILE MD 2 49 ASP QB . . 4.620 2.922 2.644 3.147 . 0 0 "[ . 1 . 2]" 2
1578 2 40 ILE MD 2 57 GLY HA3 . . 5.090 4.625 4.368 5.017 . 0 0 "[ . 1 . 2]" 2
1579 2 39 GLU QG 2 40 ILE MD . . 5.020 3.785 3.301 5.029 0.009 7 0 "[ . 1 . 2]" 2
1580 2 40 ILE MD 2 61 VAL HB . . 5.500 4.774 4.518 4.978 . 0 0 "[ . 1 . 2]" 2
1581 2 40 ILE HB 2 40 ILE MD . . 3.670 3.249 3.234 3.256 . 0 0 "[ . 1 . 2]" 2
1582 2 40 ILE MD 2 40 ILE MG . . 2.660 1.989 1.961 2.002 . 0 0 "[ . 1 . 2]" 2
1583 2 37 ILE MD 2 61 VAL H . . 4.610 4.366 4.109 4.588 . 0 0 "[ . 1 . 2]" 2
1584 2 37 ILE MD 2 65 LEU H . . 4.940 4.425 4.324 4.519 . 0 0 "[ . 1 . 2]" 2
1585 2 37 ILE MD 2 64 TYR HD2 . . 3.630 2.873 2.781 3.001 . 0 0 "[ . 1 . 2]" 2
1586 2 37 ILE MD 2 64 TYR HE2 . . 4.270 4.012 3.381 4.279 0.009 19 0 "[ . 1 . 2]" 2
1587 2 37 ILE MD 2 61 VAL HA . . 2.980 2.484 2.293 2.724 . 0 0 "[ . 1 . 2]" 2
1588 2 37 ILE MD 2 61 VAL HB . . 4.550 3.508 3.224 3.782 . 0 0 "[ . 1 . 2]" 2
1589 2 37 ILE MD 2 65 LEU MD2 . . 4.860 4.861 4.679 4.954 0.094 9 0 "[ . 1 . 2]" 2
1590 2 52 ILE HB 2 57 GLY HA3 . . 5.500 5.535 5.428 5.622 0.122 11 0 "[ . 1 . 2]" 2
1591 2 52 ILE MD 2 57 GLY HA3 . . 4.400 3.821 3.644 4.015 . 0 0 "[ . 1 . 2]" 2
1592 2 68 HIS HA 2 68 HIS HE1 . . 5.150 4.903 4.831 4.975 . 0 0 "[ . 1 . 2]" 2
1593 2 28 ILE MD 2 68 HIS HE1 . . 4.540 4.389 4.106 4.578 0.038 14 0 "[ . 1 . 2]" 2
1594 2 31 LYS HB2 2 68 HIS HE1 . . 5.050 5.094 4.948 5.171 0.121 19 0 "[ . 1 . 2]" 2
1595 2 31 LYS QD 2 68 HIS HE1 . . 4.790 3.232 2.746 4.846 0.056 13 0 "[ . 1 . 2]" 2
1596 2 97 TYR HD1 2 100 ILE MG . . 4.360 4.459 4.418 4.530 0.170 11 0 "[ . 1 . 2]" 2
1597 2 92 TRP HE3 2 97 TYR HD1 . . 4.940 5.032 4.976 5.088 0.148 13 0 "[ . 1 . 2]" 2
1598 2 97 TYR HA 2 97 TYR HD1 . . 3.870 2.644 2.593 2.687 . 0 0 "[ . 1 . 2]" 2
1599 2 86 ALA MB 2 97 TYR HD1 . . 5.500 5.490 5.313 5.582 0.082 20 0 "[ . 1 . 2]" 2
1600 2 97 TYR HD1 2 100 ILE MD . . 5.500 4.824 4.645 5.044 . 0 0 "[ . 1 . 2]" 2
1601 2 97 TYR H 2 97 TYR HD1 . . 5.210 4.893 4.861 4.929 . 0 0 "[ . 1 . 2]" 2
1602 2 97 TYR HD2 2 98 PHE H . . 3.760 3.287 3.213 3.354 . 0 0 "[ . 1 . 2]" 2
1603 2 97 TYR HD2 2 98 PHE HA . . 4.020 3.816 3.725 3.884 . 0 0 "[ . 1 . 2]" 2
1604 2 86 ALA H 2 97 TYR HD2 . . 5.280 4.875 4.607 5.043 . 0 0 "[ . 1 . 2]" 2
1605 2 97 TYR H 2 97 TYR HD2 . . 4.210 4.267 4.216 4.325 0.115 4 0 "[ . 1 . 2]" 2
1606 2 94 THR HA 2 97 TYR HD2 . . 4.240 3.553 3.282 3.837 . 0 0 "[ . 1 . 2]" 2
1607 2 86 ALA HA 2 97 TYR HD2 . . 3.950 4.085 3.999 4.225 0.275 10 0 "[ . 1 . 2]" 2
1608 2 86 ALA MB 2 97 TYR HD2 . . 3.150 2.464 2.376 2.552 . 0 0 "[ . 1 . 2]" 2
1609 2 94 THR HB 2 97 TYR HD2 . . 5.800 5.727 5.432 5.814 0.014 6 0 "[ . 1 . 2]" 2
1610 2 97 TYR HD2 2 101 THR HB . . 5.500 5.477 5.294 5.564 0.064 20 0 "[ . 1 . 2]" 2
1611 2 110 LYS H 2 112 TYR HD2 . . 4.990 5.025 5.006 5.067 0.077 8 0 "[ . 1 . 2]" 2
1612 2 67 LYS HA 2 112 TYR HD2 . . 5.380 5.272 5.062 5.480 0.100 8 0 "[ . 1 . 2]" 2
1613 2 64 TYR HD2 2 65 LEU HB2 . . 4.700 4.717 4.668 4.755 0.055 15 0 "[ . 1 . 2]" 2
1614 2 109 VAL H 2 112 TYR HD2 . . 5.110 5.166 5.136 5.223 0.113 6 0 "[ . 1 . 2]" 2
1615 2 112 TYR HD2 2 113 LEU H . . 3.440 3.356 3.092 3.419 . 0 0 "[ . 1 . 2]" 2
1616 2 112 TYR QB 2 112 TYR HD2 . . 2.530 2.310 2.290 2.356 . 0 0 "[ . 1 . 2]" 2
1617 2 112 TYR HD2 2 113 LEU QB . . 3.640 3.156 3.013 3.311 . 0 0 "[ . 1 . 2]" 2
1618 2 112 TYR HD2 2 113 LEU QD . . 2.990 3.006 2.882 3.053 0.063 4 0 "[ . 1 . 2]" 2
1619 2 109 VAL HA 2 112 TYR HD2 . . 2.920 2.371 2.331 2.452 . 0 0 "[ . 1 . 2]" 2
1620 2 109 VAL HB 2 112 TYR HD2 . . 4.600 4.537 4.338 4.601 0.001 14 0 "[ . 1 . 2]" 2
1621 2 28 ILE MD 2 64 TYR HD2 . . 3.970 3.069 2.737 3.255 . 0 0 "[ . 1 . 2]" 2
1622 2 64 TYR HD2 2 65 LEU HA . . 3.390 3.180 3.091 3.255 . 0 0 "[ . 1 . 2]" 2
1623 2 64 TYR HD2 2 65 LEU MD2 . . 4.350 4.387 4.274 4.430 0.080 20 0 "[ . 1 . 2]" 2
1624 2 64 TYR HD2 2 65 LEU H . . 3.830 3.123 3.086 3.174 . 0 0 "[ . 1 . 2]" 2
1625 2 64 TYR QB 2 64 TYR HD2 . . 3.180 2.380 2.363 2.402 . 0 0 "[ . 1 . 2]" 2
1626 2 98 PHE HE1 2 99 VAL QG . . 2.940 2.907 2.796 2.963 0.023 2 0 "[ . 1 . 2]" 2
1627 2 98 PHE HE1 2 102 LEU QD . . 4.200 4.150 3.951 4.234 0.034 18 0 "[ . 1 . 2]" 2
1628 2 47 TYR HD2 2 52 ILE MG . . 4.790 3.752 3.453 4.859 0.069 14 0 "[ . 1 . 2]" 2
1629 2 47 TYR HA 2 47 TYR HD2 . . 5.120 4.071 3.941 4.595 . 0 0 "[ . 1 . 2]" 2
1630 2 47 TYR HD2 2 54 ARG HA . . 5.290 4.633 3.827 4.998 . 0 0 "[ . 1 . 2]" 2
1631 2 98 PHE H 2 98 PHE HD2 . . 5.190 5.053 5.024 5.082 . 0 0 "[ . 1 . 2]" 2
1632 2 77 LEU H 2 98 PHE HD2 . . 5.500 4.699 4.149 5.229 . 0 0 "[ . 1 . 2]" 2
1633 2 97 TYR HD2 2 98 PHE HD2 . . 5.500 5.620 5.543 5.704 0.204 10 0 "[ . 1 . 2]" 2
1634 2 98 PHE HA 2 98 PHE HD2 . . 3.530 3.209 3.098 3.283 . 0 0 "[ . 1 . 2]" 2
1635 2 98 PHE HB2 2 98 PHE HD2 . . 3.660 2.475 2.446 2.515 . 0 0 "[ . 1 . 2]" 2
1636 2 77 LEU QB 2 98 PHE HD2 . . 3.710 3.319 2.733 3.722 0.012 8 0 "[ . 1 . 2]" 2
1637 2 76 ILE MG 2 98 PHE HD2 . . 3.220 3.209 2.752 3.373 0.153 11 0 "[ . 1 . 2]" 2
1638 2 77 LEU MD1 2 98 PHE HD2 . . 3.710 3.595 3.146 3.762 0.052 3 0 "[ . 1 . 2]" 2
1639 2 98 PHE HD2 2 102 LEU QD . . 3.690 2.830 2.358 3.056 . 0 0 "[ . 1 . 2]" 2
1640 2 76 ILE HB 2 98 PHE HD2 . . 4.610 4.228 3.859 4.648 0.038 17 0 "[ . 1 . 2]" 2
1641 2 77 LEU HG 2 98 PHE HD2 . . 5.500 4.997 4.251 5.428 . 0 0 "[ . 1 . 2]" 2
1642 2 73 PRO QB 2 98 PHE HD2 . . 4.400 4.438 4.231 4.540 0.140 12 0 "[ . 1 . 2]" 2
1643 2 73 PRO HA 2 98 PHE HE2 . . 4.030 3.597 3.406 3.828 . 0 0 "[ . 1 . 2]" 2
1644 2 73 PRO QD 2 98 PHE HE2 . . 5.500 5.406 5.109 5.553 0.053 12 0 "[ . 1 . 2]" 2
1645 2 76 ILE HB 2 98 PHE HE2 . . 4.150 3.146 2.789 3.534 . 0 0 "[ . 1 . 2]" 2
1646 2 77 LEU QB 2 98 PHE HE2 . . 3.570 3.000 2.534 3.451 . 0 0 "[ . 1 . 2]" 2
1647 2 98 PHE HE2 2 102 LEU QB . . 5.380 4.613 4.277 4.776 . 0 0 "[ . 1 . 2]" 2
1648 2 98 PHE HD1 2 99 VAL QG . . 3.040 2.068 2.036 2.080 . 0 0 "[ . 1 . 2]" 2
1649 2 98 PHE HE2 2 102 LEU QD . . 3.040 2.363 2.203 2.448 . 0 0 "[ . 1 . 2]" 2
1650 2 12 LEU QD 2 98 PHE HE2 . . 5.130 4.876 4.669 5.148 0.018 19 0 "[ . 1 . 2]" 2
1651 2 73 PRO HA 2 98 PHE HZ . . 4.690 4.628 4.498 4.759 0.069 16 0 "[ . 1 . 2]" 2
1652 2 73 PRO QB 2 98 PHE HZ . . 4.330 2.059 1.979 2.120 . 0 0 "[ . 1 . 2]" 2
1653 2 73 PRO HG2 2 98 PHE HZ . . 4.350 3.572 3.273 3.759 . 0 0 "[ . 1 . 2]" 2
1654 2 98 PHE HZ 2 102 LEU QD . . 3.240 3.102 3.020 3.178 . 0 0 "[ . 1 . 2]" 2
1655 2 73 PRO QD 2 98 PHE HZ . . 5.010 4.841 4.612 5.015 0.005 18 0 "[ . 1 . 2]" 2
1656 2 106 TRP HD1 2 107 SER H . . 4.490 4.419 4.288 4.502 0.012 8 0 "[ . 1 . 2]" 2
1657 2 106 TRP HB3 2 106 TRP HD1 . . 2.780 2.508 2.496 2.525 . 0 0 "[ . 1 . 2]" 2
1658 2 106 TRP HD1 2 110 LYS QE . . 4.100 3.977 3.434 4.244 0.144 20 0 "[ . 1 . 2]" 2
1659 2 106 TRP HD1 2 110 LYS QD . . 3.310 3.219 3.032 3.380 0.070 19 0 "[ . 1 . 2]" 2
1660 2 8 LEU HG 2 106 TRP HD1 . . 5.500 4.818 4.698 4.864 . 0 0 "[ . 1 . 2]" 2
1661 2 8 LEU QD 2 106 TRP HD1 . . 2.620 2.176 2.085 2.289 . 0 0 "[ . 1 . 2]" 2
1662 2 12 LEU HG 2 106 TRP HD1 . . 4.660 4.347 4.069 4.511 . 0 0 "[ . 1 . 2]" 2
1663 2 12 LEU QD 2 106 TRP HD1 . . 5.500 3.289 3.144 3.435 . 0 0 "[ . 1 . 2]" 2
1664 2 59 TRP HD1 2 60 HIS H . . 4.580 3.685 3.618 3.777 . 0 0 "[ . 1 . 2]" 2
1665 2 59 TRP HD1 2 60 HIS HA . . 4.320 3.764 3.710 3.860 . 0 0 "[ . 1 . 2]" 2
1666 2 92 TRP HH2 2 97 TYR HA . . 4.410 3.903 3.727 4.166 . 0 0 "[ . 1 . 2]" 2
1667 2 92 TRP HH2 2 100 ILE HB . . 4.430 4.202 4.084 4.302 . 0 0 "[ . 1 . 2]" 2
1668 2 92 TRP HH2 2 100 ILE HG12 . . 5.500 5.151 4.951 5.403 . 0 0 "[ . 1 . 2]" 2
1669 2 92 TRP HH2 2 100 ILE HG13 . . 5.500 5.045 4.891 5.271 . 0 0 "[ . 1 . 2]" 2
1670 2 92 TRP HH2 2 100 ILE MG . . 3.550 3.542 3.349 3.635 0.085 20 0 "[ . 1 . 2]" 2
1671 2 92 TRP HH2 2 100 ILE MD . . 3.220 2.359 2.204 2.576 . 0 0 "[ . 1 . 2]" 2
1672 2 15 ARG HD3 2 106 TRP HH2 . . 3.630 2.963 2.595 3.754 0.124 18 0 "[ . 1 . 2]" 2
1673 2 15 ARG QG 2 106 TRP HH2 . . 3.470 2.768 2.280 3.555 0.085 14 0 "[ . 1 . 2]" 2
1674 2 106 TRP HH2 2 110 LYS QD . . 5.460 5.151 4.283 5.497 0.037 13 0 "[ . 1 . 2]" 2
1675 2 15 ARG HD2 2 106 TRP HH2 . . 3.630 2.957 1.914 3.615 . 0 0 "[ . 1 . 2]" 2
1676 2 15 ARG QB 2 106 TRP HH2 . . 3.820 2.620 2.376 2.759 . 0 0 "[ . 1 . 2]" 2
1677 2 106 TRP HH2 2 113 LEU QD . . 3.880 3.210 2.935 3.422 . 0 0 "[ . 1 . 2]" 2
1678 2 12 LEU QD 2 106 TRP HH2 . . 4.400 4.300 4.128 4.402 0.002 1 0 "[ . 1 . 2]" 2
1679 2 59 TRP HH2 2 106 TRP H . . 5.370 5.304 5.184 5.383 0.013 6 0 "[ . 1 . 2]" 2
1680 2 59 TRP HH2 2 104 LYS QE . . 4.080 3.454 3.163 4.259 0.179 4 0 "[ . 1 . 2]" 2
1681 2 59 TRP HH2 2 105 ALA H . . 3.670 3.559 3.388 3.646 . 0 0 "[ . 1 . 2]" 2
1682 2 59 TRP HH2 2 104 LYS HA . . 3.920 3.924 3.818 4.068 0.148 12 0 "[ . 1 . 2]" 2
1683 2 59 TRP HH2 2 105 ALA HA . . 3.220 2.723 2.407 2.830 . 0 0 "[ . 1 . 2]" 2
1684 2 59 TRP HH2 2 108 VAL HB . . 5.100 3.999 3.627 4.309 . 0 0 "[ . 1 . 2]" 2
1685 2 59 TRP HH2 2 104 LYS QB . . 3.100 2.319 2.136 2.916 . 0 0 "[ . 1 . 2]" 2
1686 2 59 TRP HH2 2 105 ALA MB . . 3.680 3.679 3.500 3.738 0.058 8 0 "[ . 1 . 2]" 2
1687 2 106 TRP HE3 2 110 LYS QD . . 4.760 4.706 4.380 4.771 0.011 4 0 "[ . 1 . 2]" 2
1688 2 106 TRP HA 2 106 TRP HE3 . . 2.710 2.127 2.045 2.207 . 0 0 "[ . 1 . 2]" 2
1689 2 66 MET HB3 2 106 TRP HE3 . . 4.940 4.259 3.706 4.795 . 0 0 "[ . 1 . 2]" 2
1690 2 71 THR MG 2 106 TRP HE3 . . 3.520 3.191 2.949 3.467 . 0 0 "[ . 1 . 2]" 2
1691 2 12 LEU QD 2 106 TRP HE3 . . 3.520 3.178 3.020 3.258 . 0 0 "[ . 1 . 2]" 2
1692 2 106 TRP HE3 2 110 LYS H . . 4.020 3.947 3.845 4.034 0.014 8 0 "[ . 1 . 2]" 2
1693 2 68 HIS H 2 68 HIS HD2 . . 3.580 2.820 2.683 2.984 . 0 0 "[ . 1 . 2]" 2
1694 2 67 LYS HB2 2 68 HIS HD2 . . 4.080 3.722 3.452 4.023 . 0 0 "[ . 1 . 2]" 2
1695 2 67 LYS H 2 68 HIS HD2 . . 4.740 4.175 4.026 4.321 . 0 0 "[ . 1 . 2]" 2
1696 2 68 HIS HA 2 68 HIS HD2 . . 4.080 4.132 4.006 4.203 0.123 3 0 "[ . 1 . 2]" 2
1697 2 65 LEU HA 2 68 HIS HD2 . . 3.850 2.307 2.155 2.458 . 0 0 "[ . 1 . 2]" 2
1698 2 68 HIS HB2 2 68 HIS HD2 . . 3.000 2.660 2.627 2.690 . 0 0 "[ . 1 . 2]" 2
1699 2 28 ILE MD 2 68 HIS HD2 . . 3.900 3.067 2.806 3.347 . 0 0 "[ . 1 . 2]" 2
1700 2 92 TRP HE3 2 97 TYR HA . . 3.830 3.819 3.518 3.948 0.118 5 0 "[ . 1 . 2]" 2
1701 2 66 MET HA 2 106 TRP HZ3 . . 5.500 5.459 4.974 5.577 0.077 5 0 "[ . 1 . 2]" 2
1702 2 59 TRP HZ3 2 104 LYS QE . . 4.970 4.204 3.240 5.116 0.146 1 0 "[ . 1 . 2]" 2
1703 2 59 TRP HZ3 2 108 VAL QG . . 4.620 4.612 4.292 4.743 0.123 6 0 "[ . 1 . 2]" 2
1704 2 59 TRP HZ3 2 62 ILE MG . . 5.500 5.202 5.088 5.318 . 0 0 "[ . 1 . 2]" 2
1705 2 59 TRP HZ3 2 63 LEU HG . . 5.500 5.375 5.276 5.516 0.016 7 0 "[ . 1 . 2]" 2
1706 2 92 TRP HE3 2 97 TYR H . . 4.110 3.090 2.915 3.186 . 0 0 "[ . 1 . 2]" 2
1707 2 92 TRP HE3 2 96 LYS QG . . 4.340 3.664 3.342 3.871 . 0 0 "[ . 1 . 2]" 2
1708 2 92 TRP HZ3 2 100 ILE HB . . 4.710 3.801 3.496 3.944 . 0 0 "[ . 1 . 2]" 2
1709 2 92 TRP HZ3 2 97 TYR H . . 4.600 3.191 3.045 3.422 . 0 0 "[ . 1 . 2]" 2
1710 2 92 TRP HZ3 2 97 TYR HA . . 3.740 2.142 2.012 2.256 . 0 0 "[ . 1 . 2]" 2
1711 2 92 TRP HZ3 2 100 ILE MG . . 4.620 4.401 4.114 4.548 . 0 0 "[ . 1 . 2]" 2
1712 2 66 MET HB3 2 106 TRP HZ3 . . 4.610 4.159 3.634 4.723 0.113 19 0 "[ . 1 . 2]" 2
1713 2 106 TRP HZ3 2 109 VAL HB . . 5.020 3.833 3.454 5.271 0.251 8 0 "[ . 1 . 2]" 2
1714 2 12 LEU QD 2 106 TRP HZ3 . . 4.050 4.017 3.791 4.102 0.052 14 0 "[ . 1 . 2]" 2
1715 2 106 TRP HA 2 106 TRP HZ3 . . 4.500 4.489 4.393 4.555 0.055 12 0 "[ . 1 . 2]" 2
1716 2 106 TRP HZ3 2 110 LYS HA . . 4.160 4.266 4.169 4.414 0.254 3 0 "[ . 1 . 2]" 2
1717 2 106 TRP HZ3 2 113 LEU QD . . 3.470 3.092 2.913 3.298 . 0 0 "[ . 1 . 2]" 2
1718 2 59 TRP HA 2 59 TRP HZ3 . . 4.940 4.949 4.870 5.010 0.070 2 0 "[ . 1 . 2]" 2
1719 2 59 TRP HZ3 2 105 ALA HA . . 3.740 3.212 3.105 3.331 . 0 0 "[ . 1 . 2]" 2
1720 2 59 TRP HZ3 2 104 LYS QB . . 3.100 2.181 2.092 2.342 . 0 0 "[ . 1 . 2]" 2
1721 2 59 TRP HZ3 2 105 ALA MB . . 3.300 2.482 2.389 2.533 . 0 0 "[ . 1 . 2]" 2
1722 2 59 TRP HZ3 2 106 TRP H . . 4.900 4.989 4.960 5.033 0.133 4 0 "[ . 1 . 2]" 2
1723 2 92 TRP HZ3 2 96 LYS QG . . 3.960 2.423 2.284 2.569 . 0 0 "[ . 1 . 2]" 2
1724 2 106 TRP HZ3 2 110 LYS QD . . 5.500 5.463 4.930 5.653 0.153 13 0 "[ . 1 . 2]" 2
1725 2 97 TYR HE1 2 101 THR HB . . 4.870 4.214 3.828 4.564 . 0 0 "[ . 1 . 2]" 2
1726 2 60 HIS HD2 2 61 VAL H . . 4.930 5.032 4.999 5.073 0.143 1 0 "[ . 1 . 2]" 2
1727 2 57 GLY H 2 60 HIS HD2 . . 5.030 4.437 4.259 4.523 . 0 0 "[ . 1 . 2]" 2
1728 2 52 ILE MD 2 60 HIS HD2 . . 3.820 2.332 2.219 2.426 . 0 0 "[ . 1 . 2]" 2
1729 2 60 HIS H 2 60 HIS HD2 . . 3.720 3.108 3.047 3.178 . 0 0 "[ . 1 . 2]" 2
1730 2 56 ARG H 2 60 HIS HD2 . . 5.500 5.539 5.404 5.616 0.116 7 0 "[ . 1 . 2]" 2
1731 2 59 TRP HD1 2 60 HIS HD2 . . 4.390 4.444 4.259 4.542 0.152 12 0 "[ . 1 . 2]" 2
1732 2 60 HIS HA 2 60 HIS HD2 . . 4.750 4.478 4.437 4.561 . 0 0 "[ . 1 . 2]" 2
1733 2 57 GLY HA2 2 60 HIS HD2 . . 4.010 3.265 3.014 3.379 . 0 0 "[ . 1 . 2]" 2
1734 2 60 HIS HB2 2 60 HIS HD2 . . 3.900 2.612 2.597 2.625 . 0 0 "[ . 1 . 2]" 2
1735 2 60 HIS HB3 2 60 HIS HD2 . . 3.900 3.688 3.657 3.710 . 0 0 "[ . 1 . 2]" 2
1736 2 56 ARG HB2 2 60 HIS HD2 . . 4.290 3.979 3.427 4.239 . 0 0 "[ . 1 . 2]" 2
1737 2 56 ARG HB3 2 60 HIS HD2 . . 3.940 2.754 2.564 2.934 . 0 0 "[ . 1 . 2]" 2
1738 2 52 ILE HB 2 60 HIS HD2 . . 5.500 5.539 5.434 5.622 0.122 12 0 "[ . 1 . 2]" 2
1739 2 97 TYR QB 2 97 TYR HE2 . . 4.400 4.366 4.351 4.376 . 0 0 "[ . 1 . 2]" 2
1740 2 97 TYR HE2 2 101 THR HB . . 5.290 5.116 4.889 5.231 . 0 0 "[ . 1 . 2]" 2
1741 2 94 THR MG 2 97 TYR HE2 . . 4.380 4.402 4.067 4.479 0.099 6 0 "[ . 1 . 2]" 2
1742 2 86 ALA MB 2 97 TYR HE2 . . 3.280 2.797 2.664 2.970 . 0 0 "[ . 1 . 2]" 2
1743 2 97 TYR HE2 2 98 PHE HB2 . . 4.550 4.600 4.406 4.673 0.123 3 0 "[ . 1 . 2]" 2
1744 2 112 TYR HE2 2 113 LEU H . . 5.290 5.018 4.827 5.153 . 0 0 "[ . 1 . 2]" 2
1745 2 67 LYS HA 2 112 TYR HE2 . . 4.350 3.358 3.126 3.589 . 0 0 "[ . 1 . 2]" 2
1746 2 112 TYR QB 2 112 TYR HE2 . . 4.400 4.388 4.377 4.408 0.008 14 0 "[ . 1 . 2]" 2
1747 2 67 LYS HE2 2 112 TYR HE2 . . 5.500 3.776 2.717 4.120 . 0 0 "[ . 1 . 2]" 2
1748 2 112 TYR HE2 2 113 LEU QB . . 3.890 3.095 3.012 3.169 . 0 0 "[ . 1 . 2]" 2
1749 2 112 TYR HE2 2 113 LEU QD . . 3.200 3.183 3.054 3.259 0.059 6 0 "[ . 1 . 2]" 2
1750 2 112 TYR HE2 2 113 LEU HA . . 4.860 4.901 4.758 4.939 0.079 16 0 "[ . 1 . 2]" 2
1751 2 59 TRP HE3 2 105 ALA H . . 4.510 4.537 4.492 4.583 0.073 2 0 "[ . 1 . 2]" 2
1752 2 59 TRP HE3 2 62 ILE MG . . 5.090 4.840 4.707 4.965 . 0 0 "[ . 1 . 2]" 2
1753 2 59 TRP H 2 59 TRP HE3 . . 4.940 4.881 4.807 4.942 0.002 2 0 "[ . 1 . 2]" 2
1754 2 59 TRP HA 2 59 TRP HE3 . . 3.060 2.703 2.637 2.778 . 0 0 "[ . 1 . 2]" 2
1755 2 59 TRP HE3 2 104 LYS QB . . 4.260 4.281 4.128 4.423 0.163 12 0 "[ . 1 . 2]" 2
1756 2 59 TRP HE3 2 105 ALA MB . . 3.480 2.991 2.901 3.090 . 0 0 "[ . 1 . 2]" 2
1757 2 59 TRP HE3 2 62 ILE MD . . 4.300 4.335 4.287 4.365 0.065 17 0 "[ . 1 . 2]" 2
1758 2 64 TYR QB 2 64 TYR HE2 . . 4.560 4.427 4.412 4.443 . 0 0 "[ . 1 . 2]" 2
1759 2 24 ILE MG 2 64 TYR HE2 . . 5.500 5.252 4.849 5.533 0.033 14 0 "[ . 1 . 2]" 2
1760 2 28 ILE MD 2 64 TYR HE2 . . 2.820 2.117 1.999 2.290 . 0 0 "[ . 1 . 2]" 2
1761 2 92 TRP HZ2 2 96 LYS QD . . 4.830 4.799 4.605 4.867 0.037 17 0 "[ . 1 . 2]" 2
1762 2 92 TRP HZ2 2 96 LYS QG . . 5.030 5.088 5.037 5.137 0.107 17 0 "[ . 1 . 2]" 2
1763 2 59 TRP HZ2 2 105 ALA HA . . 3.860 3.911 3.802 3.967 0.107 11 0 "[ . 1 . 2]" 2
1764 2 59 TRP HZ2 2 104 LYS QB . . 4.860 4.422 4.192 5.022 0.162 1 0 "[ . 1 . 2]" 2
1765 2 59 TRP HZ2 2 108 VAL QG . . 3.410 2.523 2.289 2.808 . 0 0 "[ . 1 . 2]" 2
1766 2 12 LEU HA 2 106 TRP HZ2 . . 4.410 4.403 3.994 4.511 0.101 18 0 "[ . 1 . 2]" 2
1767 2 15 ARG HD2 2 106 TRP HZ2 . . 4.070 3.205 2.221 3.695 . 0 0 "[ . 1 . 2]" 2
1768 2 15 ARG QG 2 106 TRP HZ2 . . 3.140 2.449 2.026 3.180 0.040 7 0 "[ . 1 . 2]" 2
1769 2 15 ARG QB 2 106 TRP HZ2 . . 4.140 3.653 3.267 3.809 . 0 0 "[ . 1 . 2]" 2
1770 2 71 THR MG 2 106 TRP HZ2 . . 5.500 4.168 3.885 4.578 . 0 0 "[ . 1 . 2]" 2
1771 2 106 TRP HZ2 2 113 LEU QD . . 5.500 4.576 4.328 4.784 . 0 0 "[ . 1 . 2]" 2
1772 2 12 LEU QD 2 106 TRP HZ2 . . 3.840 3.876 3.741 3.934 0.094 1 0 "[ . 1 . 2]" 2
1773 2 11 GLU HA 2 106 TRP HZ2 . . 5.500 5.277 5.056 5.514 0.014 1 0 "[ . 1 . 2]" 2
1774 2 60 HIS H 2 60 HIS HE1 . . 5.500 5.620 5.503 5.665 0.165 2 0 "[ . 1 . 2]" 2
1775 2 56 ARG HB3 2 60 HIS HE1 . . 5.350 5.181 4.929 5.392 0.042 11 0 "[ . 1 . 2]" 2
1776 2 59 TRP HE1 2 60 HIS HE1 . . 4.960 4.867 4.239 5.028 0.068 2 0 "[ . 1 . 2]" 2
1777 2 59 TRP HD1 2 60 HIS HE1 . . 4.280 3.850 3.278 4.038 . 0 0 "[ . 1 . 2]" 2
1778 2 2 VAL HA 2 5 PHE QB . . 4.140 2.645 2.401 2.990 . 0 0 "[ . 1 . 2]" 2
1779 2 3 VAL H 2 3 VAL QG . . 3.850 2.150 2.000 2.285 . 0 0 "[ . 1 . 2]" 2
1780 2 3 VAL QG 2 4 GLU H . . 3.690 3.112 2.424 3.451 . 0 0 "[ . 1 . 2]" 2
1781 2 3 VAL QG 2 4 GLU HA . . 3.530 3.435 3.115 3.563 0.033 7 0 "[ . 1 . 2]" 2
1782 2 3 VAL QG 2 4 GLU QG . . 4.000 3.196 2.269 3.780 . 0 0 "[ . 1 . 2]" 2
1783 2 3 VAL QG 2 5 PHE H . . 5.440 4.525 4.176 4.757 . 0 0 "[ . 1 . 2]" 2
1784 2 4 GLU HA 2 7 GLU QG . . 3.900 2.930 2.166 3.978 0.078 3 0 "[ . 1 . 2]" 2
1785 2 4 GLU QB 2 5 PHE QB . . 4.610 3.981 3.929 4.048 . 0 0 "[ . 1 . 2]" 2
1786 2 5 PHE H 2 5 PHE QB . . 3.380 2.108 2.075 2.136 . 0 0 "[ . 1 . 2]" 2
1787 2 5 PHE HA 2 8 LEU QB . . 3.610 2.576 2.528 2.655 . 0 0 "[ . 1 . 2]" 2
1788 2 5 PHE QB 2 6 GLU H . . 4.430 2.865 2.776 2.972 . 0 0 "[ . 1 . 2]" 2
1789 2 5 PHE QB 2 8 LEU QB . . 5.180 4.405 4.327 4.475 . 0 0 "[ . 1 . 2]" 2
1790 2 5 PHE QB 2 98 PHE HD1 . . 3.570 3.641 3.602 3.682 0.112 11 0 "[ . 1 . 2]" 2
1791 2 5 PHE QB 2 98 PHE HE1 . . 2.650 2.641 2.579 2.669 0.019 2 0 "[ . 1 . 2]" 2
1792 2 5 PHE QB 2 98 PHE HZ . . 4.720 4.761 4.682 4.811 0.091 5 0 "[ . 1 . 2]" 2
1793 2 5 PHE QB 2 99 VAL QG . . 5.340 2.165 2.084 2.262 . 0 0 "[ . 1 . 2]" 2
1794 2 7 GLU H 2 7 GLU QG . . 3.190 2.342 1.977 3.846 0.656 14 2 "[ - . 1 +. 2]" 2
1795 2 7 GLU QB 2 8 LEU QB . . 5.340 4.534 3.748 5.096 . 0 0 "[ . 1 . 2]" 2
1796 2 7 GLU QG 2 8 LEU H . . 3.990 3.219 2.309 4.089 0.099 7 0 "[ . 1 . 2]" 2
1797 2 8 LEU H 2 8 LEU QB . . 2.940 2.113 2.082 2.187 . 0 0 "[ . 1 . 2]" 2
1798 2 8 LEU QB 2 9 ARG H . . 3.400 2.591 2.548 2.687 . 0 0 "[ . 1 . 2]" 2
1799 2 8 LEU QB 2 11 GLU QB . . 5.000 4.777 4.489 5.016 0.016 5 0 "[ . 1 . 2]" 2
1800 2 8 LEU QB 2 98 PHE HE1 . . 4.670 4.705 4.613 4.765 0.095 5 0 "[ . 1 . 2]" 2
1801 2 9 ARG H 2 9 ARG QB . . 3.500 2.376 2.350 2.426 . 0 0 "[ . 1 . 2]" 2
1802 2 9 ARG H 2 9 ARG QD . . 4.630 4.046 3.936 4.085 . 0 0 "[ . 1 . 2]" 2
1803 2 9 ARG H 2 10 LYS QB . . 5.280 4.463 4.333 5.005 . 0 0 "[ . 1 . 2]" 2
1804 2 9 ARG HA 2 9 ARG QD . . 4.190 3.679 3.624 3.821 . 0 0 "[ . 1 . 2]" 2
1805 2 9 ARG QB 2 9 ARG QD . . 3.290 2.281 2.198 2.566 . 0 0 "[ . 1 . 2]" 2
1806 2 9 ARG QB 2 10 LYS H . . 4.090 3.669 3.600 3.714 . 0 0 "[ . 1 . 2]" 2
1807 2 9 ARG QD 2 10 LYS H . . 4.050 3.063 2.832 3.165 . 0 0 "[ . 1 . 2]" 2
1808 2 9 ARG QD 2 10 LYS HA . . 5.280 2.681 2.599 2.777 . 0 0 "[ . 1 . 2]" 2
1809 2 9 ARG QD 2 11 GLU H . . 5.340 4.969 4.787 5.076 . 0 0 "[ . 1 . 2]" 2
1810 2 9 ARG QD 2 73 PRO QD . . 5.310 4.822 4.379 5.311 0.001 12 0 "[ . 1 . 2]" 2
1811 2 10 LYS H 2 10 LYS QB . . 2.950 2.217 2.164 2.545 . 0 0 "[ . 1 . 2]" 2
1812 2 10 LYS HA 2 10 LYS QG . . 3.490 2.479 2.360 3.384 . 0 0 "[ . 1 . 2]" 2
1813 2 10 LYS QB 2 10 LYS QD . . 2.910 2.722 2.229 2.809 . 0 0 "[ . 1 . 2]" 2
1814 2 10 LYS QB 2 10 LYS QE . . 3.920 1.923 1.815 3.592 . 0 0 "[ . 1 . 2]" 2
1815 2 10 LYS QB 2 11 GLU HA . . 4.480 4.304 4.235 4.506 0.026 18 0 "[ . 1 . 2]" 2
1816 2 10 LYS QD 2 10 LYS QG . . 2.360 2.024 2.008 2.115 . 0 0 "[ . 1 . 2]" 2
1817 2 10 LYS QE 2 10 LYS QG . . 2.620 2.351 2.018 2.411 . 0 0 "[ . 1 . 2]" 2
1818 2 10 LYS QG 2 14 LYS H . . 5.000 5.028 4.863 5.409 0.409 18 0 "[ . 1 . 2]" 2
1819 2 11 GLU HA 2 11 GLU QG . . 3.170 2.783 2.367 2.969 . 0 0 "[ . 1 . 2]" 2
1820 2 11 GLU QB 2 11 GLU QG . . 2.420 2.040 2.020 2.119 . 0 0 "[ . 1 . 2]" 2
1821 2 11 GLU QG 2 12 LEU H . . 4.330 4.029 3.819 4.200 . 0 0 "[ . 1 . 2]" 2
1822 2 11 GLU QG 2 12 LEU HA . . 4.390 3.968 3.699 4.216 . 0 0 "[ . 1 . 2]" 2
1823 2 11 GLU QG 2 12 LEU QD . . 4.190 3.891 3.549 4.125 . 0 0 "[ . 1 . 2]" 2
1824 2 11 GLU QG 2 14 LYS H . . 5.340 5.110 4.826 5.257 . 0 0 "[ . 1 . 2]" 2
1825 2 11 GLU QG 2 15 ARG H . . 5.340 4.845 4.575 4.969 . 0 0 "[ . 1 . 2]" 2
1826 2 11 GLU QG 2 15 ARG QG . . 4.130 2.853 2.658 3.131 . 0 0 "[ . 1 . 2]" 2
1827 2 11 GLU QG 2 15 ARG QD . . 4.830 3.989 3.627 4.516 . 0 0 "[ . 1 . 2]" 2
1828 2 11 GLU QG 2 106 TRP HD1 . . 5.340 4.476 3.998 4.928 . 0 0 "[ . 1 . 2]" 2
1829 2 11 GLU QG 2 106 TRP HE1 . . 4.000 2.402 2.099 2.754 . 0 0 "[ . 1 . 2]" 2
1830 2 11 GLU QG 2 106 TRP HZ2 . . 3.710 2.435 2.260 2.631 . 0 0 "[ . 1 . 2]" 2
1831 2 12 LEU QD 2 15 ARG QD . . 5.340 5.280 4.939 5.436 0.096 9 0 "[ . 1 . 2]" 2
1832 2 12 LEU QD 2 73 PRO QG . . 4.910 2.507 2.231 2.777 . 0 0 "[ . 1 . 2]" 2
1833 2 14 LYS QD 2 15 ARG H . . 4.340 3.826 3.646 4.085 . 0 0 "[ . 1 . 2]" 2
1834 2 14 LYS QD 2 15 ARG HA . . 3.930 3.513 3.259 3.772 . 0 0 "[ . 1 . 2]" 2
1835 2 15 ARG H 2 15 ARG QD . . 5.150 4.499 4.198 4.567 . 0 0 "[ . 1 . 2]" 2
1836 2 15 ARG QD 2 106 TRP HZ3 . . 4.830 4.505 4.250 4.807 . 0 0 "[ . 1 . 2]" 2
1837 2 15 ARG QD 2 106 TRP HZ2 . . 3.420 3.034 2.208 3.416 . 0 0 "[ . 1 . 2]" 2
1838 2 15 ARG QD 2 106 TRP HH2 . . 3.160 2.371 1.905 2.764 . 0 0 "[ . 1 . 2]" 2
1839 2 18 GLY QA 2 19 LYS QG . . 5.180 4.202 3.937 4.412 . 0 0 "[ . 1 . 2]" 2
1840 2 20 PRO HB2 2 21 VAL QG . . 5.420 3.591 3.380 4.229 . 0 0 "[ . 1 . 2]" 2
1841 2 21 VAL H 2 75 LYS QB . . 4.480 3.850 3.304 4.581 0.101 3 0 "[ . 1 . 2]" 2
1842 2 21 VAL H 2 75 LYS QE . . 5.340 3.913 2.868 5.637 0.297 12 0 "[ . 1 . 2]" 2
1843 2 21 VAL HA 2 21 VAL QG . . 2.950 2.233 2.102 2.298 . 0 0 "[ . 1 . 2]" 2
1844 2 21 VAL QG 2 22 GLU H . . 3.820 2.553 2.296 3.379 . 0 0 "[ . 1 . 2]" 2
1845 2 21 VAL QG 2 23 LYS H . . 4.560 4.077 3.990 4.343 . 0 0 "[ . 1 . 2]" 2
1846 2 21 VAL QG 2 24 ILE H . . 4.180 3.783 3.712 3.886 . 0 0 "[ . 1 . 2]" 2
1847 2 21 VAL QG 2 24 ILE HB . . 4.410 2.901 2.761 3.142 . 0 0 "[ . 1 . 2]" 2
1848 2 21 VAL QG 2 25 LYS H . . 4.140 3.849 3.750 3.916 . 0 0 "[ . 1 . 2]" 2
1849 2 21 VAL QG 2 75 LYS HA . . 3.920 3.196 2.453 3.835 . 0 0 "[ . 1 . 2]" 2
1850 2 24 ILE MD 2 75 LYS QE . . 4.030 2.621 1.908 3.789 . 0 0 "[ . 1 . 2]" 2
1851 2 25 LYS QE 2 43 GLU QB . . 4.540 3.648 3.279 4.081 . 0 0 "[ . 1 . 2]" 2
1852 2 26 GLU HA 2 26 GLU QG . . 2.970 2.571 2.361 3.031 0.061 11 0 "[ . 1 . 2]" 2
1853 2 26 GLU QG 2 27 GLU H . . 5.010 3.776 3.636 4.321 . 0 0 "[ . 1 . 2]" 2
1854 2 27 GLU HA 2 31 LYS QG . . 5.340 4.321 4.175 4.504 . 0 0 "[ . 1 . 2]" 2
1855 2 27 GLU HG3 2 28 ILE QG . . 5.020 2.204 2.099 2.266 . 0 0 "[ . 1 . 2]" 2
1856 2 28 ILE H 2 28 ILE QG . . 4.100 2.595 2.561 2.631 . 0 0 "[ . 1 . 2]" 2
1857 2 28 ILE HA 2 28 ILE QG . . 3.120 2.306 2.270 2.329 . 0 0 "[ . 1 . 2]" 2
1858 2 28 ILE HA 2 31 LYS QG . . 4.710 3.281 2.238 3.575 . 0 0 "[ . 1 . 2]" 2
1859 2 28 ILE QG 2 29 CYS H . . 4.950 4.252 4.204 4.286 . 0 0 "[ . 1 . 2]" 2
1860 2 28 ILE QG 2 64 TYR HE2 . . 4.340 3.204 2.797 3.593 . 0 0 "[ . 1 . 2]" 2
1861 2 30 THR MG 2 31 LYS QG . . 2.820 2.365 2.235 2.718 . 0 0 "[ . 1 . 2]" 2
1862 2 31 LYS H 2 31 LYS QG . . 3.320 2.429 2.150 2.563 . 0 0 "[ . 1 . 2]" 2
1863 2 31 LYS HA 2 31 LYS QG . . 3.350 2.392 2.260 3.034 . 0 0 "[ . 1 . 2]" 2
1864 2 31 LYS QD 2 31 LYS QG . . 2.390 2.119 2.115 2.124 . 0 0 "[ . 1 . 2]" 2
1865 2 31 LYS QE 2 31 LYS QG . . 3.400 2.159 2.099 2.334 . 0 0 "[ . 1 . 2]" 2
1866 2 37 ILE MD 2 60 HIS QB . . 5.040 3.528 3.093 3.963 . 0 0 "[ . 1 . 2]" 2
1867 2 37 ILE MD 2 61 VAL QG . . 3.030 2.618 2.279 2.906 . 0 0 "[ . 1 . 2]" 2
1868 2 39 GLU QB 2 42 CYS QB . . 5.290 4.882 3.286 5.296 0.006 14 0 "[ . 1 . 2]" 2
1869 2 40 ILE HA 2 40 ILE QG . . 3.700 2.917 2.726 3.063 . 0 0 "[ . 1 . 2]" 2
1870 2 40 ILE HA 2 45 LYS QB . . 4.720 3.434 3.031 3.888 . 0 0 "[ . 1 . 2]" 2
1871 2 40 ILE MG 2 61 VAL QG . . 3.010 2.063 1.955 2.116 . 0 0 "[ . 1 . 2]" 2
1872 2 40 ILE QG 2 41 ILE H . . 4.470 4.085 3.831 4.214 . 0 0 "[ . 1 . 2]" 2
1873 2 40 ILE MD 2 45 LYS QB . . 3.750 2.360 2.094 2.763 . 0 0 "[ . 1 . 2]" 2
1874 2 40 ILE MD 2 47 TYR QB . . 5.180 4.222 3.961 4.755 . 0 0 "[ . 1 . 2]" 2
1875 2 41 ILE H 2 42 CYS QB . . 5.030 4.648 4.443 4.859 . 0 0 "[ . 1 . 2]" 2
1876 2 41 ILE H 2 61 VAL QG . . 4.870 4.053 3.767 4.275 . 0 0 "[ . 1 . 2]" 2
1877 2 41 ILE HB 2 42 CYS QB . . 4.920 4.772 4.361 4.961 0.041 10 0 "[ . 1 . 2]" 2
1878 2 41 ILE MG 2 42 CYS QB . . 4.860 4.446 4.072 4.740 . 0 0 "[ . 1 . 2]" 2
1879 2 42 CYS H 2 42 CYS QB . . 3.310 2.420 2.170 2.543 . 0 0 "[ . 1 . 2]" 2
1880 2 42 CYS H 2 44 ASN QB . . 5.340 4.962 4.616 5.160 . 0 0 "[ . 1 . 2]" 2
1881 2 43 GLU H 2 43 GLU QB . . 3.670 3.088 2.842 3.354 . 0 0 "[ . 1 . 2]" 2
1882 2 43 GLU HA 2 43 GLU QG . . 3.000 2.290 2.224 2.387 . 0 0 "[ . 1 . 2]" 2
1883 2 44 ASN H 2 44 ASN QB . . 3.570 2.359 2.208 2.435 . 0 0 "[ . 1 . 2]" 2
1884 2 44 ASN HA 2 44 ASN QD . . 3.650 2.566 1.852 3.948 0.298 5 0 "[ . 1 . 2]" 2
1885 2 44 ASN QB 2 44 ASN QD . . 2.880 2.458 2.122 2.710 . 0 0 "[ . 1 . 2]" 2
1886 2 44 ASN QB 2 45 LYS H . . 4.280 2.871 2.696 3.002 . 0 0 "[ . 1 . 2]" 2
1887 2 45 LYS H 2 45 LYS QB . . 3.680 2.708 2.663 2.777 . 0 0 "[ . 1 . 2]" 2
1888 2 45 LYS HA 2 45 LYS QE . . 4.120 3.702 3.030 4.069 . 0 0 "[ . 1 . 2]" 2
1889 2 45 LYS QB 2 46 THR H . . 3.610 2.006 1.802 2.085 . 0 0 "[ . 1 . 2]" 2
1890 2 45 LYS QB 2 47 TYR H . . 5.340 3.597 3.248 5.383 0.043 1 0 "[ . 1 . 2]" 2
1891 2 45 LYS QB 2 48 ALA MB . . 4.690 3.914 3.650 4.201 . 0 0 "[ . 1 . 2]" 2
1892 2 45 LYS QB 2 49 ASP H . . 4.020 2.881 2.751 3.202 . 0 0 "[ . 1 . 2]" 2
1893 2 45 LYS QB 2 49 ASP QB . . 4.350 2.117 1.912 2.196 . 0 0 "[ . 1 . 2]" 2
1894 2 46 THR MG 2 83 ASP QB . . 4.690 2.520 2.266 2.751 . 0 0 "[ . 1 . 2]" 2
1895 2 47 TYR H 2 47 TYR QB . . 3.620 3.133 2.365 3.437 . 0 0 "[ . 1 . 2]" 2
1896 2 47 TYR QB 2 48 ALA H . . 3.850 3.623 3.033 3.713 . 0 0 "[ . 1 . 2]" 2
1897 2 47 TYR QB 2 48 ALA MB . . 5.320 4.656 3.942 4.732 . 0 0 "[ . 1 . 2]" 2
1898 2 47 TYR QB 2 52 ILE H . . 4.620 3.407 2.791 3.599 . 0 0 "[ . 1 . 2]" 2
1899 2 47 TYR QB 2 52 ILE MG . . 3.850 2.150 1.929 2.295 . 0 0 "[ . 1 . 2]" 2
1900 2 47 TYR QB 2 54 ARG QB . . 5.340 4.228 2.953 4.887 . 0 0 "[ . 1 . 2]" 2
1901 2 47 TYR QB 2 57 GLY HA3 . . 3.590 3.178 2.292 3.790 0.200 14 0 "[ . 1 . 2]" 2
1902 2 47 TYR HD2 2 54 ARG QG . . 5.340 3.850 2.719 5.389 0.049 6 0 "[ . 1 . 2]" 2
1903 2 51 ASN H 2 51 ASN QB . . 3.230 3.165 2.832 3.344 0.114 6 0 "[ . 1 . 2]" 2
1904 2 51 ASN H 2 51 ASN QD . . 5.340 3.642 3.268 5.180 . 0 0 "[ . 1 . 2]" 2
1905 2 51 ASN HA 2 51 ASN QD . . 3.720 2.436 1.876 3.772 0.052 7 0 "[ . 1 . 2]" 2
1906 2 51 ASN QB 2 52 ILE H . . 4.230 3.893 3.864 4.071 . 0 0 "[ . 1 . 2]" 2
1907 2 51 ASN QD 2 52 ILE H . . 5.010 4.894 4.494 5.126 0.116 4 0 "[ . 1 . 2]" 2
1908 2 52 ILE HA 2 53 ASP QB . . 5.270 4.563 4.424 4.620 . 0 0 "[ . 1 . 2]" 2
1909 2 52 ILE MD 2 56 ARG QG . . 4.980 3.796 3.199 4.160 . 0 0 "[ . 1 . 2]" 2
1910 2 53 ASP H 2 53 ASP QB . . 3.470 2.328 2.187 2.390 . 0 0 "[ . 1 . 2]" 2
1911 2 53 ASP HA 2 54 ARG QD . . 5.490 5.556 5.513 5.601 0.111 2 0 "[ . 1 . 2]" 2
1912 2 53 ASP QB 2 54 ARG H . . 3.850 2.863 2.802 2.919 . 0 0 "[ . 1 . 2]" 2
1913 2 53 ASP QB 2 55 SER H . . 5.160 2.844 2.671 3.018 . 0 0 "[ . 1 . 2]" 2
1914 2 54 ARG H 2 54 ARG QG . . 3.360 1.982 1.771 2.052 . 0 0 "[ . 1 . 2]" 2
1915 2 54 ARG H 2 54 ARG QD . . 3.810 4.015 3.789 4.056 0.246 17 0 "[ . 1 . 2]" 2
1916 2 54 ARG QD 2 55 SER H . . 5.450 5.236 4.433 5.360 . 0 0 "[ . 1 . 2]" 2
1917 2 56 ARG H 2 56 ARG QG . . 3.900 2.590 2.002 3.586 . 0 0 "[ . 1 . 2]" 2
1918 2 56 ARG H 2 56 ARG QD . . 4.100 3.262 2.160 3.838 . 0 0 "[ . 1 . 2]" 2
1919 2 56 ARG QG 2 60 HIS HD2 . . 4.590 4.519 3.938 4.779 0.189 17 0 "[ . 1 . 2]" 2
1920 2 56 ARG QD 2 60 HIS HD2 . . 5.340 5.008 4.471 5.425 0.085 18 0 "[ . 1 . 2]" 2
1921 2 58 ASP HA 2 61 VAL QG . . 4.290 1.981 1.941 2.047 . 0 0 "[ . 1 . 2]" 2
1922 2 59 TRP HE3 2 63 LEU QD . . 5.130 4.181 4.101 4.244 . 0 0 "[ . 1 . 2]" 2
1923 2 59 TRP HZ3 2 63 LEU QD . . 4.870 4.200 4.132 4.306 . 0 0 "[ . 1 . 2]" 2
1924 2 59 TRP HZ2 2 63 LEU QD . . 3.820 2.888 2.748 3.008 . 0 0 "[ . 1 . 2]" 2
1925 2 59 TRP HH2 2 63 LEU QD . . 4.100 3.674 3.486 3.839 . 0 0 "[ . 1 . 2]" 2
1926 2 59 TRP HH2 2 104 LYS QG . . 4.310 3.766 1.918 4.384 0.074 7 0 "[ . 1 . 2]" 2
1927 2 59 TRP HH2 2 104 LYS QD . . 4.550 4.352 2.751 4.652 0.102 13 0 "[ . 1 . 2]" 2
1928 2 61 VAL H 2 61 VAL QG . . 4.100 2.124 2.090 2.168 . 0 0 "[ . 1 . 2]" 2
1929 2 61 VAL HA 2 61 VAL QG . . 3.040 2.234 2.221 2.251 . 0 0 "[ . 1 . 2]" 2
1930 2 61 VAL QG 2 62 ILE H . . 4.180 2.211 2.170 2.239 . 0 0 "[ . 1 . 2]" 2
1931 2 61 VAL QG 2 62 ILE HA . . 4.590 3.079 3.052 3.107 . 0 0 "[ . 1 . 2]" 2
1932 2 61 VAL QG 2 63 LEU H . . 5.440 4.157 4.112 4.185 . 0 0 "[ . 1 . 2]" 2
1933 2 61 VAL QG 2 64 TYR H . . 5.290 4.203 4.091 4.281 . 0 0 "[ . 1 . 2]" 2
1934 2 61 VAL QG 2 64 TYR QB . . 4.910 3.473 3.304 3.622 . 0 0 "[ . 1 . 2]" 2
1935 2 61 VAL QG 2 64 TYR HD2 . . 5.200 3.967 3.681 4.213 . 0 0 "[ . 1 . 2]" 2
1936 2 61 VAL QG 2 65 LEU H . . 4.540 3.876 3.745 4.004 . 0 0 "[ . 1 . 2]" 2
1937 2 62 ILE HA 2 66 MET QG . . 4.990 4.189 4.062 4.538 . 0 0 "[ . 1 . 2]" 2
1938 2 62 ILE HA 2 76 ILE QG . . 5.340 4.735 3.379 5.400 0.060 10 0 "[ . 1 . 2]" 2
1939 2 62 ILE MG 2 66 MET QG . . 3.470 3.140 2.953 3.282 . 0 0 "[ . 1 . 2]" 2
1940 2 62 ILE MG 2 76 ILE QG . . 4.150 3.202 2.385 3.643 . 0 0 "[ . 1 . 2]" 2
1941 2 63 LEU H 2 63 LEU QD . . 4.000 3.175 3.110 3.209 . 0 0 "[ . 1 . 2]" 2
1942 2 63 LEU HA 2 67 LYS QE . . 5.340 4.579 4.343 4.785 . 0 0 "[ . 1 . 2]" 2
1943 2 63 LEU QD 2 64 TYR H . . 5.130 4.221 4.136 4.266 . 0 0 "[ . 1 . 2]" 2
1944 2 63 LEU QD 2 105 ALA HA . . 4.070 2.181 2.111 2.271 . 0 0 "[ . 1 . 2]" 2
1945 2 63 LEU QD 2 105 ALA MB . . 3.580 2.271 2.201 2.347 . 0 0 "[ . 1 . 2]" 2
1946 2 63 LEU QD 2 108 VAL HB . . 4.550 3.140 2.334 4.095 . 0 0 "[ . 1 . 2]" 2
1947 2 64 TYR HA 2 67 LYS QD . . 4.760 4.487 3.165 4.831 0.071 9 0 "[ . 1 . 2]" 2
1948 2 65 LEU HG 2 66 MET QG . . 4.350 3.438 3.194 3.992 . 0 0 "[ . 1 . 2]" 2
1949 2 66 MET H 2 66 MET QG . . 3.390 2.682 2.546 3.033 . 0 0 "[ . 1 . 2]" 2
1950 2 66 MET HA 2 66 MET QG . . 3.410 2.205 2.127 2.257 . 0 0 "[ . 1 . 2]" 2
1951 2 66 MET HA 2 109 VAL QG . . 5.010 3.861 3.724 4.042 . 0 0 "[ . 1 . 2]" 2
1952 2 66 MET HB2 2 109 VAL QG . . 4.820 2.371 2.172 2.549 . 0 0 "[ . 1 . 2]" 2
1953 2 66 MET QG 2 67 LYS H . . 5.040 4.438 4.402 4.546 . 0 0 "[ . 1 . 2]" 2
1954 2 66 MET QG 2 70 VAL H . . 5.340 4.888 4.716 5.084 . 0 0 "[ . 1 . 2]" 2
1955 2 66 MET QG 2 71 THR HA . . 4.000 2.680 2.332 3.227 . 0 0 "[ . 1 . 2]" 2
1956 2 66 MET QG 2 71 THR MG . . 3.810 3.174 2.888 3.690 . 0 0 "[ . 1 . 2]" 2
1957 2 66 MET QG 2 76 ILE MD . . 4.250 3.669 3.332 4.188 . 0 0 "[ . 1 . 2]" 2
1958 2 66 MET QG 2 102 LEU QD . . 5.140 4.292 3.974 5.202 0.062 11 0 "[ . 1 . 2]" 2
1959 2 66 MET QG 2 106 TRP HE3 . . 4.360 4.079 3.849 4.290 . 0 0 "[ . 1 . 2]" 2
1960 2 66 MET QG 2 106 TRP HZ3 . . 4.440 4.423 3.943 4.658 0.218 19 0 "[ . 1 . 2]" 2
1961 2 67 LYS H 2 67 LYS QD . . 4.380 3.806 3.365 4.110 . 0 0 "[ . 1 . 2]" 2
1962 2 67 LYS H 2 109 VAL QG . . 4.270 3.984 3.709 4.077 . 0 0 "[ . 1 . 2]" 2
1963 2 67 LYS HA 2 67 LYS QD . . 4.230 2.453 2.009 3.809 . 0 0 "[ . 1 . 2]" 2
1964 2 67 LYS HA 2 109 VAL QG . . 3.600 3.655 3.391 3.774 0.174 19 0 "[ . 1 . 2]" 2
1965 2 67 LYS HB2 2 67 LYS QD . . 3.390 3.184 2.593 3.344 . 0 0 "[ . 1 . 2]" 2
1966 2 67 LYS HB2 2 67 LYS QE . . 4.630 4.217 4.035 4.513 . 0 0 "[ . 1 . 2]" 2
1967 2 67 LYS QE 2 67 LYS HG2 . . 3.290 2.357 2.310 2.444 . 0 0 "[ . 1 . 2]" 2
1968 2 67 LYS QE 2 109 VAL HA . . 5.340 3.964 3.393 4.299 . 0 0 "[ . 1 . 2]" 2
1969 2 67 LYS QE 2 109 VAL QG . . 4.220 2.583 2.175 2.979 . 0 0 "[ . 1 . 2]" 2
1970 2 67 LYS QE 2 112 TYR HE2 . . 4.740 3.646 2.691 3.953 . 0 0 "[ . 1 . 2]" 2
1971 2 67 LYS QE 2 112 TYR HD2 . . 3.820 3.781 2.992 3.948 0.128 19 0 "[ . 1 . 2]" 2
1972 2 68 HIS HB2 2 70 VAL QG . . 5.250 3.250 2.833 3.607 . 0 0 "[ . 1 . 2]" 2
1973 2 69 GLY QA 2 71 THR H . . 5.500 5.409 5.195 5.589 0.089 11 0 "[ . 1 . 2]" 2
1974 2 70 VAL HA 2 70 VAL QG . . 2.850 2.101 2.082 2.126 . 0 0 "[ . 1 . 2]" 2
1975 2 70 VAL QG 2 72 ASP HB3 . . 4.700 3.768 3.398 4.290 . 0 0 "[ . 1 . 2]" 2
1976 2 70 VAL QG 2 75 LYS QB . . 4.310 3.707 2.660 4.347 0.037 12 0 "[ . 1 . 2]" 2
1977 2 72 ASP HA 2 73 PRO QG . . 4.350 3.891 3.853 3.933 . 0 0 "[ . 1 . 2]" 2
1978 2 72 ASP HB3 2 75 LYS QB . . 4.910 4.330 3.080 4.891 . 0 0 "[ . 1 . 2]" 2
1979 2 72 ASP HB3 2 75 LYS QG . . 5.030 3.563 2.536 5.043 0.013 3 0 "[ . 1 . 2]" 2
1980 2 73 PRO HA 2 76 ILE QG . . 4.120 2.541 1.899 3.679 . 0 0 "[ . 1 . 2]" 2
1981 2 73 PRO QG 2 74 ASP H . . 4.330 2.804 2.669 2.976 . 0 0 "[ . 1 . 2]" 2
1982 2 73 PRO QG 2 98 PHE HE1 . . 5.350 4.845 4.639 5.064 . 0 0 "[ . 1 . 2]" 2
1983 2 73 PRO QG 2 98 PHE HZ . . 3.680 3.081 2.864 3.222 . 0 0 "[ . 1 . 2]" 2
1984 2 73 PRO QG 2 98 PHE HE2 . . 4.580 4.180 3.976 4.284 . 0 0 "[ . 1 . 2]" 2
1985 2 74 ASP H 2 74 ASP QB . . 2.820 2.401 2.196 2.486 . 0 0 "[ . 1 . 2]" 2
1986 2 74 ASP H 2 75 LYS QB . . 5.340 4.867 4.191 5.164 . 0 0 "[ . 1 . 2]" 2
1987 2 74 ASP QB 2 75 LYS H . . 3.530 2.852 2.673 2.986 . 0 0 "[ . 1 . 2]" 2
1988 2 74 ASP QB 2 75 LYS HA . . 5.310 4.090 4.028 4.248 . 0 0 "[ . 1 . 2]" 2
1989 2 74 ASP QB 2 75 LYS QB . . 5.030 4.080 3.838 4.495 . 0 0 "[ . 1 . 2]" 2
1990 2 75 LYS H 2 75 LYS QB . . 3.090 2.592 2.141 2.831 . 0 0 "[ . 1 . 2]" 2
1991 2 75 LYS H 2 75 LYS QG . . 3.540 2.288 1.767 3.850 0.310 3 0 "[ . 1 . 2]" 2
1992 2 75 LYS H 2 75 LYS QE . . 5.330 4.036 2.641 4.878 . 0 0 "[ . 1 . 2]" 2
1993 2 75 LYS H 2 76 ILE QG . . 5.340 4.210 3.462 5.413 0.073 19 0 "[ . 1 . 2]" 2
1994 2 75 LYS HA 2 75 LYS QG . . 3.490 3.091 2.177 3.488 . 0 0 "[ . 1 . 2]" 2
1995 2 75 LYS QB 2 76 ILE H . . 4.210 3.463 2.721 3.727 . 0 0 "[ . 1 . 2]" 2
1996 2 75 LYS QG 2 77 LEU H . . 5.490 4.895 4.539 5.652 0.162 8 0 "[ . 1 . 2]" 2
1997 2 76 ILE H 2 76 ILE QG . . 3.380 2.528 1.953 3.475 0.095 19 0 "[ . 1 . 2]" 2
1998 2 76 ILE QG 2 76 ILE MG . . 3.260 2.172 2.005 2.295 . 0 0 "[ . 1 . 2]" 2
1999 2 76 ILE QG 2 98 PHE HE2 . . 4.970 4.511 4.144 5.095 0.125 2 0 "[ . 1 . 2]" 2
2000 2 76 ILE QG 2 98 PHE HD2 . . 5.340 5.396 5.228 5.550 0.210 8 0 "[ . 1 . 2]" 2
2001 2 76 ILE QG 2 102 LEU HG . . 3.440 3.526 3.209 3.625 0.185 20 0 "[ . 1 . 2]" 2
2002 2 77 LEU H 2 78 GLU QB . . 4.990 4.275 4.198 4.417 . 0 0 "[ . 1 . 2]" 2
2003 2 78 GLU H 2 78 GLU QB . . 2.730 2.219 2.185 2.237 . 0 0 "[ . 1 . 2]" 2
2004 2 78 GLU HA 2 78 GLU QG . . 3.400 2.872 2.317 3.065 . 0 0 "[ . 1 . 2]" 2
2005 2 78 GLU QB 2 79 LEU H . . 3.350 2.772 2.676 2.980 . 0 0 "[ . 1 . 2]" 2
2006 2 78 GLU QG 2 79 LEU H . . 4.390 3.812 3.589 4.408 0.018 12 0 "[ . 1 . 2]" 2
2007 2 79 LEU HG 2 80 LEU QD . . 5.310 4.564 3.704 5.163 . 0 0 "[ . 1 . 2]" 2
2008 2 79 LEU QD 2 81 PRO QB . . 5.340 5.025 4.758 5.362 0.022 1 0 "[ . 1 . 2]" 2
2009 2 80 LEU H 2 80 LEU QB . . 3.030 2.223 2.059 2.485 . 0 0 "[ . 1 . 2]" 2
2010 2 80 LEU HA 2 80 LEU QD . . 3.290 2.017 1.892 2.149 . 0 0 "[ . 1 . 2]" 2
2011 2 81 PRO HA 2 82 ARG QB . . 5.340 4.329 4.192 4.633 . 0 0 "[ . 1 . 2]" 2
2012 2 81 PRO QB 2 82 ARG H . . 3.340 3.027 2.835 3.194 . 0 0 "[ . 1 . 2]" 2
2013 2 81 PRO QB 2 83 ASP H . . 3.320 2.460 2.203 2.704 . 0 0 "[ . 1 . 2]" 2
2014 2 81 PRO QB 2 84 SER H . . 5.340 3.139 2.791 3.422 . 0 0 "[ . 1 . 2]" 2
2015 2 82 ARG H 2 82 ARG QB . . 3.430 2.562 2.361 2.910 . 0 0 "[ . 1 . 2]" 2
2016 2 82 ARG H 2 82 ARG QG . . 3.690 2.736 1.772 3.328 . 0 0 "[ . 1 . 2]" 2
2017 2 82 ARG QB 2 82 ARG QD . . 2.950 2.634 2.274 2.895 . 0 0 "[ . 1 . 2]" 2
2018 2 82 ARG QG 2 83 ASP H . . 4.280 3.422 3.057 3.861 . 0 0 "[ . 1 . 2]" 2
2019 2 83 ASP H 2 83 ASP QB . . 3.460 2.407 2.331 2.485 . 0 0 "[ . 1 . 2]" 2
2020 2 84 SER QB 2 85 LYS QB . . 4.780 4.443 3.870 4.809 0.029 12 0 "[ . 1 . 2]" 2
2021 2 92 TRP HZ3 2 100 ILE QG . . 5.340 4.444 4.325 4.693 . 0 0 "[ . 1 . 2]" 2
2022 2 92 TRP HH2 2 100 ILE QG . . 4.790 4.539 4.384 4.752 . 0 0 "[ . 1 . 2]" 2
2023 2 95 GLN H 2 95 GLN QE . . 5.140 4.774 4.564 4.982 . 0 0 "[ . 1 . 2]" 2
2024 2 95 GLN HA 2 95 GLN QE . . 5.530 5.401 3.639 5.569 0.039 18 0 "[ . 1 . 2]" 2
2025 2 95 GLN QE 2 96 LYS QB . . 4.400 4.125 3.964 4.415 0.015 16 0 "[ . 1 . 2]" 2
2026 2 95 GLN QE 2 99 VAL QG . . 4.660 4.569 2.800 4.746 0.086 2 0 "[ . 1 . 2]" 2
2027 2 97 TYR HA 2 100 ILE QG . . 5.340 4.298 4.174 4.466 . 0 0 "[ . 1 . 2]" 2
2028 2 100 ILE H 2 100 ILE QG . . 4.400 2.440 2.374 2.538 . 0 0 "[ . 1 . 2]" 2
2029 2 100 ILE HA 2 100 ILE QG . . 3.600 2.285 2.265 2.320 . 0 0 "[ . 1 . 2]" 2
2030 2 100 ILE HA 2 103 SER QB . . 5.340 2.670 2.588 2.769 . 0 0 "[ . 1 . 2]" 2
2031 2 100 ILE HB 2 103 SER QB . . 5.340 5.304 5.224 5.433 0.093 20 0 "[ . 1 . 2]" 2
2032 2 100 ILE MG 2 103 SER QB . . 4.800 4.080 3.972 4.174 . 0 0 "[ . 1 . 2]" 2
2033 2 100 ILE QG 2 101 THR H . . 5.070 4.266 4.242 4.291 . 0 0 "[ . 1 . 2]" 2
2034 2 101 THR H 2 103 SER QB . . 4.880 4.817 4.743 4.953 0.073 20 0 "[ . 1 . 2]" 2
2035 2 102 LEU H 2 103 SER QB . . 4.730 4.334 4.283 4.561 . 0 0 "[ . 1 . 2]" 2
2036 2 102 LEU QB 2 103 SER QB . . 4.830 4.211 4.061 4.657 . 0 0 "[ . 1 . 2]" 2
2037 2 103 SER H 2 103 SER QB . . 3.700 2.245 2.225 2.376 . 0 0 "[ . 1 . 2]" 2
2038 2 103 SER QB 2 104 LYS H . . 4.250 2.624 2.586 2.698 . 0 0 "[ . 1 . 2]" 2
2039 2 103 SER QB 2 105 ALA H . . 5.340 4.797 4.757 4.888 . 0 0 "[ . 1 . 2]" 2
2040 2 104 LYS H 2 104 LYS QG . . 4.600 2.774 2.284 4.032 . 0 0 "[ . 1 . 2]" 2
2041 2 104 LYS H 2 104 LYS QD . . 5.030 3.969 3.603 4.852 . 0 0 "[ . 1 . 2]" 2
2042 2 104 LYS HA 2 104 LYS QG . . 3.520 2.474 2.105 2.816 . 0 0 "[ . 1 . 2]" 2
2043 2 104 LYS HA 2 104 LYS QD . . 4.380 3.228 2.007 4.170 . 0 0 "[ . 1 . 2]" 2
2044 2 104 LYS QG 2 105 ALA H . . 5.130 4.111 3.710 4.228 . 0 0 "[ . 1 . 2]" 2
2045 2 104 LYS QD 2 105 ALA H . . 5.340 5.017 4.557 5.495 0.155 2 0 "[ . 1 . 2]" 2
2046 2 106 TRP HA 2 109 VAL QG . . 5.440 3.334 2.091 3.589 . 0 0 "[ . 1 . 2]" 2
2047 2 106 TRP HE3 2 109 VAL QG . . 3.750 3.177 2.054 3.589 . 0 0 "[ . 1 . 2]" 2
2048 2 106 TRP HZ3 2 109 VAL QG . . 3.490 2.832 2.396 3.336 . 0 0 "[ . 1 . 2]" 2
2049 2 107 SER H 2 109 VAL QG . . 5.440 5.158 4.450 5.279 . 0 0 "[ . 1 . 2]" 2
2050 2 109 VAL H 2 109 VAL QG . . 2.900 2.369 2.320 2.435 . 0 0 "[ . 1 . 2]" 2
2051 2 109 VAL HA 2 109 VAL QG . . 2.960 2.107 2.072 2.161 . 0 0 "[ . 1 . 2]" 2
2052 2 109 VAL QG 2 112 TYR QB . . 4.370 3.410 3.342 3.487 . 0 0 "[ . 1 . 2]" 2
2053 2 109 VAL QG 2 112 TYR HD2 . . 2.970 2.201 2.138 2.283 . 0 0 "[ . 1 . 2]" 2
2054 2 109 VAL QG 2 113 LEU HG . . 3.800 3.370 3.252 3.517 . 0 0 "[ . 1 . 2]" 2
2055 2 110 LYS HA 2 114 GLU QB . . 5.010 4.935 4.809 5.271 0.261 14 0 "[ . 1 . 2]" 2
2056 2 111 LYS H 2 114 GLU QB . . 5.340 4.776 4.738 4.849 . 0 0 "[ . 1 . 2]" 2
2057 2 111 LYS HA 2 114 GLU QB . . 4.560 2.397 2.217 2.465 . 0 0 "[ . 1 . 2]" 2
2058 2 111 LYS QB 2 114 GLU QG . . 4.490 3.975 3.364 4.242 . 0 0 "[ . 1 . 2]" 2
2059 2 112 TYR H 2 114 GLU QB . . 5.340 4.883 4.508 4.998 . 0 0 "[ . 1 . 2]" 2
2060 2 112 TYR HA 2 114 GLU QG . . 5.470 4.515 4.154 5.983 0.513 6 1 "[ .+ 1 . 2]" 2
2061 2 113 LEU H 2 114 GLU QG . . 4.820 4.196 3.925 4.330 . 0 0 "[ . 1 . 2]" 2
2062 2 113 LEU HA 2 114 GLU QG . . 5.320 4.808 4.646 5.375 0.055 4 0 "[ . 1 . 2]" 2
2063 2 113 LEU QD 2 114 GLU QB . . 4.800 3.696 3.576 3.981 . 0 0 "[ . 1 . 2]" 2
2064 2 114 GLU H 2 114 GLU QB . . 2.780 2.310 2.086 2.377 . 0 0 "[ . 1 . 2]" 2
2065 2 114 GLU H 2 114 GLU QG . . 3.280 2.357 2.221 2.764 . 0 0 "[ . 1 . 2]" 2
2066 2 114 GLU HA 2 114 GLU QB . . 2.610 2.227 2.177 2.498 . 0 0 "[ . 1 . 2]" 2
2067 2 114 GLU HA 2 114 GLU QG . . 3.570 3.220 2.375 3.468 . 0 0 "[ . 1 . 2]" 2
2068 2 114 GLU QB 2 115 ALA H . . 3.990 2.603 2.404 2.689 . 0 0 "[ . 1 . 2]" 2
2069 1 1 DC H1' 1 1 DC H6 . . 3.700 3.682 3.573 3.727 0.027 13 0 "[ . 1 . 2]" 2
2070 1 1 DC H3' 1 1 DC H6 . . 3.500 3.279 2.333 3.688 0.188 3 0 "[ . 1 . 2]" 2
2071 1 1 DC H4' 1 1 DC H6 . . 4.500 4.454 4.405 4.528 0.028 15 0 "[ . 1 . 2]" 2
2072 1 1 DC Q2' 1 1 DC H6 . . 3.000 1.974 1.903 2.078 . 0 0 "[ . 1 . 2]" 2
2073 1 1 DC H1' 1 1 DC H3' . . 4.000 3.971 3.892 4.053 0.053 10 0 "[ . 1 . 2]" 2
2074 1 1 DC H1' 1 1 DC H4' . . 3.900 3.649 3.255 3.918 0.018 4 0 "[ . 1 . 2]" 2
2075 1 1 DC H1' 1 1 DC Q2' . . 3.000 2.214 2.180 2.254 . 0 0 "[ . 1 . 2]" 2
2076 1 1 DC H3' 1 2 DT H6 . . 3.300 2.744 2.359 3.316 0.016 18 0 "[ . 1 . 2]" 2
2077 1 1 DC Q2' 1 2 DT H6 . . 3.400 2.935 2.301 3.465 0.065 9 0 "[ . 1 . 2]" 2
2078 1 1 DC H6 1 2 DT M7 . . 4.500 3.353 2.491 4.155 . 0 0 "[ . 1 . 2]" 2
2079 1 1 DC Q5' 1 2 DT H6 . . 5.500 4.412 3.606 5.261 . 0 0 "[ . 1 . 2]" 2
2080 1 2 DT H1' 1 2 DT H6 . . 3.700 3.721 3.709 3.739 0.039 18 0 "[ . 1 . 2]" 2
2081 1 2 DT Q2' 1 2 DT H6 . . 3.000 2.235 2.031 2.549 . 0 0 "[ . 1 . 2]" 2
2082 1 2 DT H3' 1 2 DT H6 . . 4.000 4.066 3.981 4.112 0.112 2 0 "[ . 1 . 2]" 2
2083 1 2 DT H4' 1 2 DT H6 . . 4.500 4.416 4.150 4.526 0.026 15 0 "[ . 1 . 2]" 2
2084 1 2 DT H1' 1 2 DT H3' . . 3.900 3.830 3.800 3.891 . 0 0 "[ . 1 . 2]" 2
2085 1 2 DT H1' 1 2 DT H4' . . 3.600 3.376 3.226 3.536 . 0 0 "[ . 1 . 2]" 2
2086 1 2 DT H1' 1 2 DT Q2' . . 3.000 2.262 2.247 2.273 . 0 0 "[ . 1 . 2]" 2
2087 1 2 DT Q2' 1 2 DT H3' . . 3.000 2.223 2.210 2.234 . 0 0 "[ . 1 . 2]" 2
2088 1 2 DT H4' 1 3 DG H3' . . 4.900 4.255 3.784 4.677 . 0 0 "[ . 1 . 2]" 2
2089 1 2 DT H3' 1 3 DG H3' . . 3.500 2.415 2.135 2.787 . 0 0 "[ . 1 . 2]" 2
2090 1 2 DT H3' 1 3 DG H4' . . 4.800 4.614 4.371 4.880 0.080 11 0 "[ . 1 . 2]" 2
2091 1 3 DG H1' 1 3 DG H8 . . 3.800 3.875 3.848 3.904 0.104 5 0 "[ . 1 . 2]" 2
2092 1 3 DG Q2' 1 3 DG H8 . . 3.500 2.104 1.992 2.292 . 0 0 "[ . 1 . 2]" 2
2093 1 3 DG H3' 1 3 DG H8 . . 4.800 4.133 3.888 4.364 . 0 0 "[ . 1 . 2]" 2
2094 1 3 DG H4' 1 3 DG H8 . . 4.900 4.985 4.734 5.145 0.245 20 0 "[ . 1 . 2]" 2
2095 1 3 DG H1' 1 3 DG H3' . . 3.900 3.855 3.756 3.941 0.041 11 0 "[ . 1 . 2]" 2
2096 1 3 DG H3' 1 3 DG Q5' . . 3.000 2.635 2.564 2.691 . 0 0 "[ . 1 . 2]" 2
2097 1 3 DG Q2' 1 3 DG H3' . . 3.000 2.200 2.176 2.221 . 0 0 "[ . 1 . 2]" 2
2098 1 3 DG H1' 1 3 DG H4' . . 3.500 3.296 3.096 3.480 . 0 0 "[ . 1 . 2]" 2
2099 1 3 DG Q2' 1 4 DT H6 . . 4.000 3.087 2.755 3.427 . 0 0 "[ . 1 . 2]" 2
2100 1 3 DG H3' 1 4 DT H6 . . 4.700 4.440 3.787 4.823 0.123 10 0 "[ . 1 . 2]" 2
2101 1 3 DG Q2' 1 4 DT M7 . . 4.300 2.700 2.324 3.110 . 0 0 "[ . 1 . 2]" 2
2102 1 4 DT H1' 1 4 DT H6 . . 3.700 3.662 3.489 3.734 0.034 14 0 "[ . 1 . 2]" 2
2103 1 4 DT H3' 1 4 DT H6 . . 4.300 4.153 3.952 4.244 . 0 0 "[ . 1 . 2]" 2
2104 1 4 DT H4' 1 4 DT H6 . . 4.800 4.883 4.583 5.222 0.422 4 0 "[ . 1 . 2]" 2
2105 1 4 DT Q2' 1 4 DT H6 . . 3.000 1.964 1.821 2.146 . 0 0 "[ . 1 . 2]" 2
2106 1 4 DT H6 1 4 DT M7 . . 3.000 2.207 2.198 2.222 . 0 0 "[ . 1 . 2]" 2
2107 1 4 DT H1' 1 4 DT H4' . . 3.500 3.274 2.925 3.603 0.103 15 0 "[ . 1 . 2]" 2
2108 1 4 DT H1' 1 4 DT H3' . . 4.000 3.787 3.707 3.881 . 0 0 "[ . 1 . 2]" 2
2109 1 4 DT Q2' 1 4 DT M7 . . 5.500 3.651 3.542 3.791 . 0 0 "[ . 1 . 2]" 2
2110 1 4 DT Q2' 1 5 DG Q5' . . 5.000 3.136 2.731 3.284 . 0 0 "[ . 1 . 2]" 2
2111 1 4 DT Q2' 1 5 DG H8 . . 5.500 2.673 2.283 3.489 . 0 0 "[ . 1 . 2]" 2
2112 1 5 DG H1' 1 5 DG H8 . . 3.900 3.893 3.864 3.913 0.013 1 0 "[ . 1 . 2]" 2
2113 1 5 DG Q2' 1 5 DG H8 . . 3.200 2.673 2.268 3.111 . 0 0 "[ . 1 . 2]" 2
2114 1 5 DG H3' 1 5 DG H8 . . 3.800 3.940 3.768 4.044 0.244 17 0 "[ . 1 . 2]" 2
2115 1 5 DG Q5' 1 5 DG H8 . . 3.100 2.028 1.934 2.309 . 0 0 "[ . 1 . 2]" 2
2116 1 5 DG H1' 1 5 DG H3' . . 4.000 4.003 3.959 4.054 0.054 3 0 "[ . 1 . 2]" 2
2117 1 5 DG H1' 1 5 DG Q5' . . 4.100 4.030 3.958 4.096 . 0 0 "[ . 1 . 2]" 2
2118 1 5 DG Q2' 1 5 DG Q5' . . 3.500 2.544 2.384 2.775 . 0 0 "[ . 1 . 2]" 2
2119 1 5 DG Q2' 1 6 DC H4' . . 5.000 4.380 3.685 5.003 0.003 16 0 "[ . 1 . 2]" 2
2120 1 6 DC H1' 1 6 DC H6 . . 3.900 3.692 3.655 3.732 . 0 0 "[ . 1 . 2]" 2
2121 1 6 DC Q2' 1 6 DC H6 . . 3.300 2.480 2.197 2.739 . 0 0 "[ . 1 . 2]" 2
2122 1 6 DC H3' 1 6 DC H6 . . 4.400 4.182 3.970 4.391 . 0 0 "[ . 1 . 2]" 2
2123 1 6 DC H4' 1 6 DC H6 . . 4.300 4.403 4.359 4.466 0.166 16 0 "[ . 1 . 2]" 2
2124 1 6 DC H1' 1 6 DC H3' . . 3.900 3.821 3.797 3.858 . 0 0 "[ . 1 . 2]" 2
2125 1 6 DC Q2' 1 6 DC H5 . . 5.500 4.292 4.148 4.468 . 0 0 "[ . 1 . 2]" 2
2126 1 6 DC H5 1 6 DC H6 . . 3.000 2.435 2.423 2.443 . 0 0 "[ . 1 . 2]" 2
2127 1 6 DC Q2' 1 7 DT H6 . . 3.400 2.716 2.339 3.065 . 0 0 "[ . 1 . 2]" 2
2128 1 6 DC H1' 1 7 DT H6 . . 3.300 2.726 2.417 3.179 . 0 0 "[ . 1 . 2]" 2
2129 1 6 DC H3' 1 7 DT H6 . . 4.500 4.641 4.519 4.713 0.213 6 0 "[ . 1 . 2]" 2
2130 1 6 DC H4' 1 7 DT H6 . . 4.800 4.693 4.143 4.946 0.146 17 0 "[ . 1 . 2]" 2
2131 1 6 DC H3' 1 7 DT Q5' . . 4.500 4.216 3.993 4.509 0.009 14 0 "[ . 1 . 2]" 2
2132 1 6 DC H3' 1 7 DT Q2' . . 4.500 4.539 4.475 4.596 0.096 14 0 "[ . 1 . 2]" 2
2133 1 6 DC H1' 1 7 DT M7 . . 3.300 2.450 2.113 2.958 . 0 0 "[ . 1 . 2]" 2
2134 1 7 DT H1' 1 7 DT H6 . . 3.800 3.737 3.732 3.745 . 0 0 "[ . 1 . 2]" 2
2135 1 7 DT Q2' 1 7 DT H6 . . 3.000 2.096 2.010 2.339 . 0 0 "[ . 1 . 2]" 2
2136 1 7 DT H4' 1 7 DT H6 . . 4.800 4.578 4.479 4.643 . 0 0 "[ . 1 . 2]" 2
2137 1 7 DT H6 1 7 DT M7 . . 3.000 2.207 2.197 2.215 . 0 0 "[ . 1 . 2]" 2
2138 1 7 DT H1' 1 7 DT H4' . . 3.200 3.253 3.187 3.321 0.121 8 0 "[ . 1 . 2]" 2
2139 1 7 DT H1' 1 8 DC H6 . . 3.000 2.549 2.268 3.138 0.138 4 0 "[ . 1 . 2]" 2
2140 1 7 DT Q2' 1 8 DC H6 . . 4.200 3.493 2.792 4.325 0.125 14 0 "[ . 1 . 2]" 2
2141 1 7 DT H3' 1 8 DC H6 . . 5.000 4.670 4.407 5.182 0.182 14 0 "[ . 1 . 2]" 2
2142 1 7 DT H4' 1 8 DC H6 . . 3.800 3.623 3.063 3.897 0.097 2 0 "[ . 1 . 2]" 2
2143 1 7 DT H1' 1 8 DC Q2' . . 3.700 3.156 2.338 3.867 0.167 12 0 "[ . 1 . 2]" 2
2144 1 8 DC H1' 1 8 DC H6 . . 4.000 3.730 3.711 3.739 . 0 0 "[ . 1 . 2]" 2
2145 1 8 DC H1' 1 8 DC H5 . . 5.400 5.434 5.398 5.447 0.047 10 0 "[ . 1 . 2]" 2
2146 1 8 DC H4' 1 8 DC H6 . . 4.600 4.474 4.265 4.657 0.057 4 0 "[ . 1 . 2]" 2
2147 1 8 DC Q2' 1 8 DC H6 . . 3.000 2.193 1.899 2.493 . 0 0 "[ . 1 . 2]" 2
2148 1 8 DC H1' 1 8 DC H3' . . 4.000 3.853 3.775 3.956 . 0 0 "[ . 1 . 2]" 2
2149 1 8 DC H1' 1 8 DC H4' . . 4.000 3.387 3.160 3.714 . 0 0 "[ . 1 . 2]" 2
2150 1 8 DC H3' 1 9 DA H8 . . 4.100 3.697 2.435 4.271 0.171 1 0 "[ . 1 . 2]" 2
2151 1 8 DC H4' 1 9 DA H8 . . 3.200 2.511 2.267 3.163 . 0 0 "[ . 1 . 2]" 2
2152 1 8 DC Q2' 1 9 DA H8 . . 4.100 4.184 4.032 4.296 0.196 15 0 "[ . 1 . 2]" 2
2153 1 9 DA H1' 1 9 DA H8 . . 3.800 3.900 3.832 3.924 0.124 13 0 "[ . 1 . 2]" 2
2154 1 9 DA H4' 1 9 DA H8 . . 4.800 4.681 4.228 4.811 0.011 7 0 "[ . 1 . 2]" 2
2155 1 9 DA Q2' 1 9 DA H8 . . 3.100 2.505 2.251 3.164 0.064 18 0 "[ . 1 . 2]" 2
2156 2 113 LEU HA 2 113 LEU MD2 . . 4.000 4.043 4.008 4.060 0.060 13 0 "[ . 1 . 2]" 2
2157 2 28 ILE MG 2 64 TYR QE . . 4.500 2.328 2.036 2.816 . 0 0 "[ . 1 . 2]" 2
2158 2 28 ILE MD 2 64 TYR QE . . 5.500 2.116 1.998 2.289 . 0 0 "[ . 1 . 2]" 2
2159 2 37 ILE MD 2 64 TYR QD . . 5.000 2.775 2.721 2.832 . 0 0 "[ . 1 . 2]" 2
2160 2 55 SER QB 2 97 TYR QE . . 5.000 4.215 3.490 4.811 . 0 0 "[ . 1 . 2]" 2
2161 2 77 LEU MD1 2 98 PHE HZ . . 5.800 4.705 4.235 5.014 . 0 0 "[ . 1 . 2]" 2
2162 2 59 TRP HH2 2 108 VAL QG . . 4.000 2.918 2.719 3.204 . 0 0 "[ . 1 . 2]" 2
2163 2 63 LEU MD2 2 109 VAL MG2 . . 4.500 2.021 1.875 3.069 . 0 0 "[ . 1 . 2]" 2
2164 2 63 LEU MD1 2 108 VAL MG1 . . 5.300 2.940 2.521 3.522 . 0 0 "[ . 1 . 2]" 2
2165 2 21 VAL QG 2 78 GLU QG . . 4.600 2.526 2.013 4.558 . 0 0 "[ . 1 . 2]" 2
2166 2 21 VAL QG 2 75 LYS QG . . 4.700 3.576 2.517 4.253 . 0 0 "[ . 1 . 2]" 2
2167 2 25 LYS QE 2 79 LEU MD1 . . 5.600 5.642 5.538 5.689 0.089 16 0 "[ . 1 . 2]" 2
2168 2 62 ILE QG 2 76 ILE MG . . 4.500 2.532 2.233 3.211 . 0 0 "[ . 1 . 2]" 2
2169 2 12 LEU MD2 2 102 LEU MD1 . . 5.800 4.497 3.983 5.828 0.028 17 0 "[ . 1 . 2]" 2
2170 2 37 ILE QG 2 64 TYR QB . . 4.200 3.253 2.987 3.598 . 0 0 "[ . 1 . 2]" 2
2171 2 28 ILE MD 2 68 HIS QB . . 4.500 3.229 2.868 3.509 . 0 0 "[ . 1 . 2]" 2
2172 2 23 LYS QB 2 27 GLU QG . . 5.100 4.365 4.228 4.474 . 0 0 "[ . 1 . 2]" 2
2173 2 25 LYS QB 2 26 GLU QB . . 5.200 4.870 4.794 4.924 . 0 0 "[ . 1 . 2]" 2
2174 2 16 ASP QB 2 18 GLY QA . . 5.000 3.424 3.236 3.576 . 0 0 "[ . 1 . 2]" 2
2175 2 16 ASP HA 2 18 GLY QA . . 5.500 5.369 5.286 5.439 . 0 0 "[ . 1 . 2]" 2
2176 2 17 SER HA 2 18 GLY QA . . 4.500 4.246 4.192 4.289 . 0 0 "[ . 1 . 2]" 2
2177 2 37 ILE MG 2 64 TYR QE . . 4.900 2.899 2.554 3.301 . 0 0 "[ . 1 . 2]" 2
2178 2 37 ILE MD 2 64 TYR HE1 . . 5.100 4.673 4.239 4.945 . 0 0 "[ . 1 . 2]" 2
2179 2 113 LEU HA 2 115 ALA MB . . 5.500 5.217 5.084 5.691 0.191 13 0 "[ . 1 . 2]" 2
2180 2 113 LEU HA 2 114 GLU QB . . 6.000 5.262 5.074 5.310 . 0 0 "[ . 1 . 2]" 2
2181 2 104 LYS HA 2 107 SER HA . . 5.800 5.402 5.234 5.588 . 0 0 "[ . 1 . 2]" 2
2182 2 104 LYS HA 2 108 VAL QG . . 5.300 4.239 3.789 4.680 . 0 0 "[ . 1 . 2]" 2
2183 2 107 SER HA 2 111 LYS QB . . 5.800 4.444 4.239 4.579 . 0 0 "[ . 1 . 2]" 2
2184 2 59 TRP HA 2 63 LEU QB . . 6.000 5.266 5.180 5.334 . 0 0 "[ . 1 . 2]" 2
2185 2 14 LYS QG 2 15 ARG QB . . 6.000 3.644 3.571 3.730 . 0 0 "[ . 1 . 2]" 2
2186 2 26 GLU QB 2 30 THR MG . . 6.000 5.129 5.007 5.330 . 0 0 "[ . 1 . 2]" 2
2187 2 26 GLU QG 2 30 THR MG . . 6.000 4.071 3.806 4.636 . 0 0 "[ . 1 . 2]" 2
2188 2 30 THR HA 2 31 LYS QB . . 5.500 5.400 5.320 5.453 . 0 0 "[ . 1 . 2]" 2
2189 2 100 ILE MG 2 104 LYS QB . . 6.000 3.721 3.374 3.908 . 0 0 "[ . 1 . 2]" 2
2190 2 47 TYR QB 2 83 ASP QB . . 5.600 4.996 4.479 5.716 0.116 11 0 "[ . 1 . 2]" 2
2191 2 17 SER QB 2 70 VAL QG . . 4.000 2.608 2.147 3.337 . 0 0 "[ . 1 . 2]" 2
2192 2 85 LYS QZ 2 92 TRP HE1 . . 4.500 2.827 2.563 3.603 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 291
_Distance_constraint_stats_list.Viol_total 5802.879
_Distance_constraint_stats_list.Viol_max 2.877
_Distance_constraint_stats_list.Viol_rms 0.7937
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9067
_Distance_constraint_stats_list.Viol_average_violations_only 0.9971
_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 7 DT 0.536 0.387 6 0 "[ . 1 . 2]"
2 54 ARG 93.660 2.211 4 20 [***+********-*******]
2 67 LYS 9.619 1.275 8 8 "[*- .* + * ** . *2]"
2 86 ALA 52.410 2.877 5 20 [**-*+***************]
2 112 TYR 9.083 1.275 8 8 "[*- .* + * ** . *2]"
3 1 ATP 85.711 1.776 11 20 [**********+*-*******]
4 1 ATP 194.814 2.877 5 20 [***-+***************]
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 3 1 ATP PA 3 1 ATP PG . . 4.300 4.303 4.205 4.410 0.110 11 0 "[ . 1 . 2]" 3
2 3 1 ATP O3A 3 1 ATP PG . . 2.900 3.572 3.485 3.650 0.750 6 20 [*****+***********-**] 3
3 3 1 ATP O2A 3 1 ATP PG . . 4.000 5.709 5.627 5.776 1.776 11 20 [**********+******-**] 3
4 4 1 ATP PA 4 1 ATP PG . . 3.900 4.360 4.284 4.412 0.512 1 2 "[+ -. 1 . 2]" 3
5 4 1 ATP O1B 4 1 ATP PG . . 2.700 3.022 2.985 3.062 0.362 20 0 "[ . 1 . 2]" 3
6 4 1 ATP O1B 4 1 ATP PA . . 2.700 3.117 3.086 3.151 0.451 20 0 "[ . 1 . 2]" 3
7 4 1 ATP O1A 4 1 ATP O3G . . 2.900 5.012 4.883 5.116 2.216 14 20 [************-+******] 3
8 4 1 ATP O1A 4 1 ATP O2G . . 3.900 4.758 4.687 4.844 0.944 13 20 [******-*****+*******] 3
9 4 1 ATP O1A 4 1 ATP PG . . 3.800 3.947 3.898 3.998 0.198 14 0 "[ . 1 . 2]" 3
10 2 67 LYS O 2 112 TYR HH . . 5.500 5.951 5.444 6.775 1.275 8 8 "[*- .* + * ** . *2]" 3
11 1 7 DT O4 2 67 LYS NZ . . 3.000 2.993 2.919 3.387 0.387 6 0 "[ . 1 . 2]" 3
12 2 54 ARG NE 3 1 ATP PG . . 3.500 4.014 3.875 4.106 0.606 14 12 "[*** .** *1 -+* ***2]" 3
13 2 54 ARG CZ 3 1 ATP PG . . 3.500 4.865 4.616 5.142 1.642 6 20 [*****+*************-] 3
14 2 54 ARG NH1 4 1 ATP PB . . 3.500 5.084 4.068 5.711 2.211 4 20 [***+****-***********] 3
15 2 54 ARG NH2 4 1 ATP PB . . 3.500 4.720 3.888 5.636 2.136 5 18 "[ -**+ **************]" 3
16 2 86 ALA CA 4 1 ATP PG . . 3.500 6.120 5.778 6.377 2.877 5 20 [**-*+***************] 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 2150
_Distance_constraint_stats_list.Viol_total 27249.867
_Distance_constraint_stats_list.Viol_max 2.242
_Distance_constraint_stats_list.Viol_rms 0.3310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6308
_Distance_constraint_stats_list.Viol_average_violations_only 0.6337
_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
2 1 THR 27.554 1.014 14 19 "[************ +-*****]"
2 2 VAL 21.854 0.818 9 20 [********+********-**]
2 3 VAL 23.775 0.865 18 20 [**********-******+**]
2 4 GLU 24.858 0.956 8 19 "[**-****+***** ******]"
2 5 PHE 37.173 1.014 14 19 "[************ +-*****]"
2 6 GLU 21.854 0.818 9 20 [********+********-**]
2 7 GLU 56.971 1.052 8 20 [*******+**-*********]
2 8 LEU 33.546 0.956 8 19 "[**-****+***** ******]"
2 9 ARG 32.633 0.913 12 20 [***********+-*******]
2 10 LYS 27.604 0.907 1 19 "[+******-********* **]"
2 11 GLU 68.560 1.052 8 20 [*******+***-********]
2 12 LEU 8.688 0.712 5 1 "[ + 1 . 2]"
2 13 VAL 23.015 0.913 12 20 [***********+-*******]
2 14 LYS 27.604 0.907 1 19 "[+******-********* **]"
2 15 ARG 35.365 1.046 14 20 [*************+***-**]
2 21 VAL 39.871 1.205 19 20 [**-***************+*]
2 23 LYS 18.912 0.720 9 20 [**-*****+***********]
2 24 ILE 29.699 0.931 9 20 [********+*******-***]
2 25 LYS 56.747 1.205 19 20 [*****************-+*]
2 26 GLU 57.251 1.794 8 20 [*******+******-*****]
2 27 GLU 18.912 0.720 9 20 [**-*****+***********]
2 28 ILE 29.699 0.931 9 20 [********+*******-***]
2 29 CYS 16.875 0.873 3 16 "[**+ **** * **** *-**]"
2 30 THR 57.251 1.794 8 20 [*******+******-*****]
2 35 LYS 23.644 1.008 19 18 "[ ****** ******-***+*]"
2 36 LEU 35.906 1.113 10 20 [*********+***-******]
2 37 ILE 19.169 1.011 8 19 [*******+*1***-******]
2 38 LYS 19.323 1.059 6 14 "[-* *.+* * ****** **]"
2 39 GLU 23.644 1.008 19 18 "[ ****** ******-***+*]"
2 40 ILE 35.906 1.113 10 20 [*********+***-******]
2 41 ILE 19.169 1.011 8 19 [*******+*1***-******]
2 42 CYS 19.323 1.059 6 14 "[-* *.+* * ****** **]"
2 54 ARG 94.731 2.242 6 20 [*****+***-**********]
2 55 SER 20.640 0.768 17 13 "[-* *.* **** ** +**2]"
2 56 ARG 12.917 0.563 8 15 "[*** ***+-1* **.* ***]"
2 57 GLY 34.385 1.044 17 20 [**********-*****+***]
2 58 ASP 59.172 1.021 7 20 [****-*+*************]
2 59 TRP 42.470 0.893 12 20 [-**********+********]
2 60 HIS 36.585 0.891 12 20 [********-**+********]
2 61 VAL 59.520 1.044 17 20 [**********-*****+***]
2 62 ILE 62.563 1.019 11 20 [****-*****+*********]
2 63 LEU 55.550 0.992 16 20 [***********-***+****]
2 64 TYR 59.817 1.075 9 20 [********+-**********]
2 65 LEU 25.135 0.967 10 20 [*********+-*********]
2 66 MET 34.384 1.019 11 20 [**********+*******-*]
2 67 LYS 31.641 0.992 16 20 [**********-****+****]
2 68 HIS 36.149 1.075 9 20 [********+**-********]
2 73 PRO 17.054 0.678 12 20 [**-********+********]
2 74 ASP 31.715 1.012 12 20 [***********+***-****]
2 75 LYS 19.851 0.854 16 18 "[*********1* **-+****]"
2 77 LEU 17.054 0.678 12 20 [**-********+********]
2 78 GLU 31.715 1.012 12 20 [***********+***-****]
2 79 LEU 19.851 0.854 16 18 "[*********1* **-+****]"
2 88 GLU 28.093 1.829 20 20 [*********-*********+]
2 89 ASN 18.059 1.496 10 14 "[ ********+ * -** *2]"
2 90 GLU 2.458 0.410 5 0 "[ . 1 . 2]"
2 93 ASN 25.972 1.122 4 20 [***+***************-]
2 94 THR 14.903 0.733 18 16 "[** *-****** ***+**]"
2 95 GLN 13.764 0.767 14 11 "[- ** * *1* *+*** 2]"
2 96 LYS 22.906 0.818 14 20 [****-********+******]
2 97 TYR 39.129 1.122 4 20 [***+*************-**]
2 98 PHE 41.281 0.910 12 20 [******-****+********]
2 99 VAL 32.486 0.821 17 19 [-***************+**2]
2 100 ILE 43.313 0.818 14 20 [*************+****-*]
2 101 THR 26.502 0.581 10 19 "[*********+ ******-**]"
2 102 LEU 37.523 0.910 12 20 [******-****+********]
2 103 SER 44.438 0.839 1 20 [+*************-*****]
2 104 LYS 45.529 0.895 2 20 [*+***************-**]
2 105 ALA 43.542 0.986 19 20 [*-****************+*]
2 106 TRP 21.993 0.532 8 4 "[ . + 1* . * -2]"
2 107 SER 55.684 0.963 13 20 [************+*-*****]
2 108 VAL 58.898 0.952 3 20 [**+**************-**]
2 109 VAL 50.572 0.986 19 20 [***************-**+*]
2 110 LYS 37.491 0.757 1 19 "[+**** ************-*]"
2 111 LYS 29.968 0.963 13 20 [***********-+*******]
2 112 TYR 33.775 0.952 3 20 [**+*-***************]
2 113 LEU 20.375 0.634 1 20 [+************-******]
2 114 GLU 26.643 0.757 1 19 "[+**** *-************]"
3 1 ATP 65.817 2.242 6 20 [*****+*******-******]
4 1 ATP 48.610 1.829 20 20 [*************-*****+]
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 2 5 PHE O 2 9 ARG N . . 2.400 2.833 2.783 2.861 0.461 9 0 "[ . 1 . 2]" 4
2 2 5 PHE O 2 9 ARG H . . 1.800 1.848 1.813 1.878 0.078 9 0 "[ . 1 . 2]" 4
3 2 4 GLU O 2 8 LEU N . . 2.400 3.189 2.871 3.356 0.956 8 19 "[**-****+***** ******]" 4
4 2 4 GLU O 2 8 LEU H . . 1.800 2.254 1.912 2.447 0.647 8 10 "[** . +-** *** *]" 4
5 2 3 VAL O 2 7 GLU N . . 2.400 3.132 3.009 3.265 0.865 18 20 [*-***************+**] 4
6 2 3 VAL O 2 7 GLU H . . 1.800 2.256 2.102 2.409 0.609 4 5 "[ +. 1- * . **2]" 4
7 2 2 VAL O 2 6 GLU N . . 2.400 3.060 2.935 3.218 0.818 9 20 [********+****-******] 4
8 2 2 VAL O 2 6 GLU H . . 1.800 2.233 2.031 2.393 0.593 9 5 "[ *. +1 * . - *]" 4
9 2 1 THR O 2 5 PHE N . . 2.400 3.248 2.888 3.414 1.014 14 19 "[************ +***-**]" 4
10 2 1 THR O 2 5 PHE H . . 1.800 2.330 1.919 2.488 0.688 9 14 "[****** *+1* *-* **]" 4
11 2 11 GLU O 2 15 ARG N . . 2.400 3.339 3.251 3.446 1.046 14 20 [*************+***-**] 4
12 2 11 GLU O 2 15 ARG H . . 1.800 2.629 2.547 2.726 0.926 5 20 [****+************-**] 4
13 2 10 LYS O 2 14 LYS N . . 2.400 3.234 2.867 3.307 0.907 1 19 "[+-*************** **]" 4
14 2 10 LYS O 2 14 LYS H . . 1.800 2.346 1.952 2.421 0.621 1 18 "[+ *****-********* **]" 4
15 2 9 ARG O 2 13 VAL N . . 2.400 3.128 2.926 3.313 0.913 12 20 [****-******+********] 4
16 2 9 ARG O 2 13 VAL H . . 1.800 2.223 1.984 2.429 0.629 12 5 "[ . * *1 +- . * 2]" 4
17 2 8 LEU O 2 12 LEU N . . 2.400 2.786 2.727 3.112 0.712 5 1 "[ + 1 . 2]" 4
18 2 8 LEU O 2 12 LEU H . . 1.800 1.846 1.761 2.218 0.418 5 0 "[ . 1 . 2]" 4
19 2 7 GLU O 2 11 GLU N . . 2.400 3.400 3.330 3.452 1.052 8 20 [*******+***-********] 4
20 2 7 GLU O 2 11 GLU H . . 1.800 2.460 2.382 2.504 0.704 8 20 [*******+***-********] 4
21 2 26 GLU O 2 30 THR N . . 2.400 3.911 3.682 4.194 1.794 8 20 [-******+************] 4
22 2 26 GLU O 2 30 THR H . . 1.800 3.152 2.949 3.430 1.630 8 20 [*******+******-*****] 4
23 2 25 LYS O 2 29 CYS N . . 2.400 2.987 2.820 3.273 0.873 3 16 "[**+ **** * **** *-**]" 4
24 2 25 LYS O 2 29 CYS H . . 1.800 2.057 1.868 2.353 0.553 3 2 "[ + . - 1 . 2]" 4
25 2 24 ILE O 2 28 ILE N . . 2.400 3.255 3.117 3.331 0.931 9 20 [**-*****+***********] 4
26 2 24 ILE O 2 28 ILE H . . 1.800 2.430 2.273 2.516 0.716 9 19 "[** *****+*******-***]" 4
27 2 23 LYS O 2 27 GLU N . . 2.400 3.032 2.907 3.120 0.720 9 20 [**-*****+***********] 4
28 2 23 LYS O 2 27 GLU H . . 1.800 2.113 1.982 2.208 0.408 9 0 "[ . 1 . 2]" 4
29 2 21 VAL O 2 25 LYS N . . 2.400 3.571 3.499 3.605 1.205 19 20 [**-***************+*] 4
30 2 21 VAL O 2 25 LYS H . . 1.800 2.622 2.546 2.657 0.857 19 20 [**-***************+*] 4
31 2 38 LYS O 2 42 CYS N . . 2.400 3.055 2.663 3.459 1.059 6 14 "[-* *.+* * ****** **]" 4
32 2 38 LYS O 2 42 CYS H . . 1.800 2.108 1.734 2.516 0.716 12 6 "[ .** 1 + *.- *2]" 4
33 2 37 ILE O 2 41 ILE N . . 2.400 3.053 2.869 3.411 1.011 8 19 [*******+*1***-******] 4
34 2 37 ILE O 2 41 ILE H . . 1.800 2.105 1.900 2.486 0.686 8 2 "[ . + 1 - 2]" 4
35 2 36 LEU O 2 40 ILE N . . 2.400 3.445 3.410 3.513 1.113 10 20 [*********+******-***] 4
36 2 36 LEU O 2 40 ILE H . . 1.800 2.550 2.504 2.617 0.817 10 20 [*********+***-******] 4
37 2 35 LYS O 2 39 GLU N . . 2.400 3.166 2.755 3.408 1.008 19 18 "[ *-**** **********+*]" 4
38 2 35 LYS O 2 39 GLU H . . 1.800 2.216 1.843 2.435 0.635 14 7 "[ . * *1* +- * *2]" 4
39 2 64 TYR O 2 68 HIS N . . 2.400 3.428 3.365 3.475 1.075 9 20 [********+**-********] 4
40 2 64 TYR O 2 68 HIS H . . 1.800 2.579 2.555 2.628 0.828 14 20 [***********-*+******] 4
41 2 63 LEU O 2 67 LYS N . . 2.400 3.253 3.145 3.392 0.992 16 20 [**********-****+****] 4
42 2 63 LEU O 2 67 LYS H . . 1.800 2.529 2.436 2.657 0.857 16 20 [**********-****+****] 4
43 2 62 ILE O 2 66 MET N . . 2.400 3.369 3.318 3.419 1.019 11 20 [**********+*******-*] 4
44 2 62 ILE O 2 66 MET H . . 1.800 2.550 2.522 2.585 0.785 6 20 [*****+************-*] 4
45 2 61 VAL O 2 65 LEU N . . 2.400 3.228 3.078 3.367 0.967 10 20 [*********+*********-] 4
46 2 61 VAL O 2 65 LEU H . . 1.800 2.229 2.078 2.367 0.567 10 6 "[ . *+-* ** 2]" 4
47 2 60 HIS O 2 64 TYR N . . 2.400 3.112 2.989 3.291 0.891 12 20 [**-********+********] 4
48 2 60 HIS O 2 64 TYR H . . 1.800 2.272 2.157 2.416 0.616 1 7 "[+ .* - * *.* * 2]" 4
49 2 59 TRP O 2 63 LEU N . . 2.400 3.176 3.097 3.293 0.893 12 20 [*-*********+********] 4
50 2 59 TRP O 2 63 LEU H . . 1.800 2.220 2.137 2.333 0.533 14 2 "[ . 1 - +. 2]" 4
51 2 58 ASP O 2 62 ILE N . . 2.400 3.261 3.206 3.333 0.933 9 20 [********+**********-] 4
52 2 58 ASP O 2 62 ILE H . . 1.800 2.348 2.287 2.417 0.617 9 17 "[*** -***+****** ***2]" 4
53 2 57 GLY O 2 61 VAL N . . 2.400 3.424 3.383 3.444 1.044 17 20 [**********-*****+***] 4
54 2 57 GLY O 2 61 VAL H . . 1.800 2.495 2.463 2.520 0.720 18 20 [**********-******+**] 4
55 2 56 ARG O 2 60 HIS N . . 2.400 2.921 2.866 2.963 0.563 8 15 "[*** ***+-1* **.* ***]" 4
56 2 56 ARG O 2 60 HIS H . . 1.800 1.924 1.862 1.969 0.169 14 0 "[ . 1 . 2]" 4
57 2 55 SER O 2 59 TRP N . . 2.400 2.957 2.824 3.168 0.768 17 13 "[-* *.* **** ** +**2]" 4
58 2 55 SER O 2 59 TRP H . . 1.800 2.171 2.041 2.395 0.595 17 2 "[ . 1 - + 2]" 4
59 2 54 ARG O 2 58 ASP N . . 2.400 3.323 3.197 3.421 1.021 7 20 [******+-************] 4
60 2 54 ARG O 2 58 ASP H . . 1.800 2.426 2.313 2.504 0.704 1 20 [+********-**********] 4
61 2 75 LYS O 2 79 LEU N . . 2.400 3.056 2.860 3.254 0.854 16 18 "[*********1* **-+****]" 4
62 2 75 LYS O 2 79 LEU H . . 1.800 2.137 1.939 2.325 0.525 16 1 "[ . 1 .+ 2]" 4
63 2 74 ASP O 2 78 GLU N . . 2.400 3.290 3.164 3.412 1.012 12 20 [***********+***-****] 4
64 2 74 ASP O 2 78 GLU H . . 1.800 2.496 2.419 2.554 0.754 12 20 [***********+***-****] 4
65 2 73 PRO O 2 77 LEU N . . 2.400 3.003 2.907 3.078 0.678 12 20 [**-********+********] 4
66 2 73 PRO O 2 77 LEU H . . 1.800 2.050 1.959 2.122 0.322 12 0 "[ . 1 . 2]" 4
67 2 110 LYS O 2 114 GLU N . . 2.400 3.021 2.895 3.071 0.671 14 19 "[***** *-*****+******]" 4
68 2 110 LYS O 2 114 GLU H . . 1.800 2.511 2.227 2.557 0.757 1 19 "[+**-* **************]" 4
69 2 109 VAL O 2 113 LEU N . . 2.400 3.010 2.972 3.034 0.634 1 20 [+************-******] 4
70 2 109 VAL O 2 113 LEU H . . 1.800 2.209 2.113 2.272 0.472 8 0 "[ . 1 . 2]" 4
71 2 108 VAL O 2 112 TYR N . . 2.400 3.304 3.262 3.352 0.952 3 20 [**+************-****] 4
72 2 108 VAL O 2 112 TYR H . . 1.800 2.585 2.549 2.624 0.824 3 20 [**+*-***************] 4
73 2 107 SER O 2 111 LYS N . . 2.400 3.306 3.232 3.363 0.963 13 20 [-***********+*******] 4
74 2 107 SER O 2 111 LYS H . . 1.800 2.392 2.323 2.444 0.644 13 20 [***********-+*******] 4
75 2 106 TRP O 2 110 LYS N . . 2.400 2.870 2.828 2.932 0.532 8 2 "[ . + 1 . -2]" 4
76 2 106 TRP O 2 110 LYS H . . 1.800 1.873 1.839 1.955 0.155 8 0 "[ . 1 . 2]" 4
77 2 105 ALA O 2 109 VAL N . . 2.400 3.300 3.194 3.386 0.986 19 20 [-*****************+*] 4
78 2 105 ALA O 2 109 VAL H . . 1.800 2.410 2.278 2.507 0.707 9 19 "[ *******+******-****]" 4
79 2 104 LYS O 2 108 VAL N . . 2.400 3.179 3.086 3.295 0.895 2 20 [*+***********-******] 4
80 2 104 LYS O 2 108 VAL H . . 1.800 2.277 2.188 2.387 0.587 2 7 "[ +**. * 1 .* - *]" 4
81 2 103 SER O 2 107 SER N . . 2.400 3.177 3.130 3.239 0.839 1 20 [+*********-*********] 4
82 2 103 SER O 2 107 SER H . . 1.800 2.309 2.251 2.369 0.569 1 13 "[+ ***** ** **- * *]" 4
83 2 102 LEU O 2 106 TRP N . . 2.400 2.832 2.795 2.931 0.531 17 2 "[ . 1- . + 2]" 4
84 2 102 LEU O 2 106 TRP H . . 1.800 1.925 1.870 2.038 0.238 11 0 "[ . 1 . 2]" 4
85 2 101 THR O 2 105 ALA N . . 2.400 2.911 2.824 2.981 0.581 10 13 "[ -* *** *+ * ** ***]" 4
86 2 101 THR O 2 105 ALA H . . 1.800 1.957 1.864 2.028 0.228 16 0 "[ . 1 . 2]" 4
87 2 100 ILE O 2 104 LYS N . . 2.400 3.084 3.042 3.172 0.772 14 20 [*************+****-*] 4
88 2 100 ILE O 2 104 LYS H . . 1.800 2.137 2.087 2.218 0.418 14 0 "[ . 1 . 2]" 4
89 2 99 VAL O 2 103 SER N . . 2.400 3.006 2.892 3.221 0.821 17 18 "[****-*** *******+**2]" 4
90 2 99 VAL O 2 103 SER H . . 1.800 2.130 1.968 2.387 0.587 17 2 "[ . 1- . + 2]" 4
91 2 98 PHE O 2 102 LEU N . . 2.400 3.248 3.144 3.310 0.910 12 20 [*******-***+********] 4
92 2 98 PHE O 2 102 LEU H . . 1.800 2.270 2.152 2.339 0.539 12 9 "[ . - ** +*** **2]" 4
93 2 97 TYR O 2 101 THR N . . 2.400 2.919 2.876 2.973 0.573 20 17 "[** *** *** ******-*+]" 4
94 2 97 TYR O 2 101 THR H . . 1.800 1.938 1.901 1.991 0.191 20 0 "[ . 1 . 2]" 4
95 2 96 LYS O 2 100 ILE N . . 2.400 3.146 3.075 3.218 0.818 14 20 [****-********+******] 4
96 2 96 LYS O 2 100 ILE H . . 1.800 2.200 2.123 2.276 0.476 11 0 "[ . 1 . 2]" 4
97 2 95 GLN O 2 99 VAL N . . 2.400 2.913 2.837 3.167 0.767 14 11 "[- ** * *1* *+*** 2]" 4
98 2 95 GLN O 2 99 VAL H . . 1.800 1.975 1.883 2.244 0.444 14 0 "[ . 1 . 2]" 4
99 2 94 THR O 2 98 PHE N . . 2.400 2.950 2.842 3.133 0.733 18 16 "[** *-****** ***+**]" 4
100 2 94 THR O 2 98 PHE H . . 1.800 1.995 1.892 2.174 0.374 18 0 "[ . 1 . 2]" 4
101 2 93 ASN O 2 97 TYR N . . 2.400 3.230 3.125 3.522 1.122 4 20 [***+-***************] 4
102 2 93 ASN O 2 97 TYR H . . 1.800 2.269 2.175 2.559 0.759 4 3 "[ +. 1 . * -]" 4
103 2 88 GLU H 4 1 ATP O1G . . 1.800 3.205 2.757 3.629 1.829 20 20 [*********-*********+] 4
104 2 90 GLU H 4 1 ATP O1A . . 1.800 1.902 1.694 2.210 0.410 5 0 "[ . 1 . 2]" 4
105 2 89 ASN H 4 1 ATP O3G . . 1.800 2.703 2.077 3.296 1.496 10 14 "[ ********+ * -** *2]" 4
106 2 55 SER H 3 1 ATP O3G . . 1.800 1.904 1.803 2.220 0.420 1 0 "[ . 1 . 2]" 4
107 2 54 ARG H 3 1 ATP O1G . . 1.800 3.053 2.818 3.429 1.629 6 20 [*****+*******-******] 4
108 2 54 ARG HE 3 1 ATP O2G . . 1.800 3.733 3.457 4.042 2.242 6 20 [***-*+**************] 4
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