NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
544067 |
2lfo   |
17767 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lfo
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 47
_Distance_constraint_stats_list.Viol_count 93
_Distance_constraint_stats_list.Viol_total 692.555
_Distance_constraint_stats_list.Viol_max 1.381
_Distance_constraint_stats_list.Viol_rms 0.1485
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0368
_Distance_constraint_stats_list.Viol_average_violations_only 0.3723
_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 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.134 0.134 14 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 MET 0.776 0.393 2 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 4.183 0.523 8 2 "[ -. + 1 . 2]"
1 55 ARG 0.377 0.191 18 0 "[ . 1 . 2]"
1 62 PHE 1.772 0.253 12 0 "[ . 1 . 2]"
1 70 ILE 0.623 0.171 5 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.138 0.138 20 0 "[ . 1 . 2]"
1 89 LEU 13.283 0.952 6 14 "[****.+ *1-****** *2]"
1 98 HIS 12.686 1.381 19 13 "[ * .* ***** ****+-]"
1 111 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 PHE 0.309 0.201 19 0 "[ . 1 . 2]"
1 118 LEU 0.348 0.100 13 0 "[ . 1 . 2]"
2 1 GCH 33.127 1.381 19 18 "[***-.* ***********+*]"
3 1 CHO 1.500 0.393 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 TYR CE1 3 1 CHO C18 6.000 . 6.500 3.805 3.404 4.135 . 0 0 "[ . 1 . 2]" 1
2 1 14 TYR CE1 3 1 CHO C19 6.000 . 6.500 3.746 2.760 5.055 . 0 0 "[ . 1 . 2]" 1
3 1 14 TYR CD1 3 1 CHO C19 6.000 . 6.500 4.433 3.699 5.559 . 0 0 "[ . 1 . 2]" 1
4 1 14 TYR CD1 3 1 CHO C18 6.000 . 6.500 5.133 4.638 5.437 . 0 0 "[ . 1 . 2]" 1
5 1 17 PHE CD1 3 1 CHO C19 6.000 . 6.500 3.521 2.588 5.375 . 0 0 "[ . 1 . 2]" 1
6 1 17 PHE CE1 3 1 CHO C19 6.000 . 6.500 3.768 2.816 5.696 . 0 0 "[ . 1 . 2]" 1
7 1 18 LEU CD1 3 1 CHO C7 6.000 . 6.500 5.075 4.182 5.758 . 0 0 "[ . 1 . 2]" 1
8 1 21 LEU CD1 2 1 GCH C24 3.000 . 4.500 3.208 2.709 4.634 0.134 14 0 "[ . 1 . 2]" 1
9 1 23 LEU CD1 3 1 CHO C7 6.000 . 6.500 3.006 2.695 3.598 . 0 0 "[ . 1 . 2]" 1
10 1 23 LEU CD2 3 1 CHO C7 6.000 . 6.500 4.282 3.805 4.985 . 0 0 "[ . 1 . 2]" 1
11 1 27 LEU CD1 3 1 CHO C24 6.000 . 6.500 3.075 2.309 4.732 . 0 0 "[ . 1 . 2]" 1
12 1 27 LEU CD2 3 1 CHO C24 6.000 . 6.500 3.434 2.687 5.554 . 0 0 "[ . 1 . 2]" 1
13 1 30 MET CE 3 1 CHO C24 6.000 . 6.500 5.141 3.640 6.893 0.393 2 0 "[ . 1 . 2]" 1
14 1 31 ALA CB 3 1 CHO C21 6.000 . 6.500 2.959 2.367 4.397 . 0 0 "[ . 1 . 2]" 1
15 1 34 ILE CD1 3 1 CHO C24 6.000 . 6.500 3.056 2.230 5.304 . 0 0 "[ . 1 . 2]" 1
16 1 34 ILE CG2 3 1 CHO C24 6.000 . 6.500 4.164 2.174 5.971 . 0 0 "[ . 1 . 2]" 1
17 1 49 VAL CG1 2 1 GCH C3 3.000 . 4.500 4.702 4.367 5.023 0.523 8 2 "[ -. + 1 . 2]" 1
18 1 49 VAL CG1 2 1 GCH C7 4.000 2.500 5.500 3.733 3.242 4.189 . 0 0 "[ . 1 . 2]" 1
19 1 49 VAL CG2 2 1 GCH C3 3.000 . 4.500 4.166 3.931 4.323 . 0 0 "[ . 1 . 2]" 1
20 1 49 VAL CG2 2 1 GCH C7 4.000 2.500 5.500 3.004 2.621 3.291 . 0 0 "[ . 1 . 2]" 1
21 1 55 ARG CB 3 1 CHO C24 6.000 . 6.500 4.860 3.043 6.686 0.186 18 0 "[ . 1 . 2]" 1
22 1 55 ARG CG 3 1 CHO C24 6.000 . 6.500 4.692 3.166 6.691 0.191 18 0 "[ . 1 . 2]" 1
23 1 55 ARG CD 3 1 CHO C24 6.000 . 6.500 5.004 3.235 6.451 . 0 0 "[ . 1 . 2]" 1
24 1 62 PHE CE1 2 1 GCH C3 3.000 . 4.500 4.072 3.802 4.350 . 0 0 "[ . 1 . 2]" 1
25 1 62 PHE CZ 2 1 GCH C3 3.000 . 4.500 4.562 4.290 4.753 0.253 12 0 "[ . 1 . 2]" 1
26 1 70 ILE CG2 2 1 GCH C7 3.000 . 4.500 3.672 3.286 4.094 . 0 0 "[ . 1 . 2]" 1
27 1 70 ILE CD1 2 1 GCH C7 3.000 . 4.500 4.316 3.845 4.671 0.171 5 0 "[ . 1 . 2]" 1
28 1 76 LYS CD 2 1 GCH C24 4.000 2.500 5.500 3.868 2.855 4.992 . 0 0 "[ . 1 . 2]" 1
29 1 78 LEU CG 2 1 GCH C24 5.000 3.000 7.000 5.824 4.818 6.601 . 0 0 "[ . 1 . 2]" 1
30 1 78 LEU CD1 2 1 GCH C24 3.000 . 4.500 3.919 3.093 4.638 0.138 20 0 "[ . 1 . 2]" 1
31 1 78 LEU CD1 2 1 GCH C18 3.000 . 4.500 2.972 2.544 3.525 . 0 0 "[ . 1 . 2]" 1
32 1 98 HIS CB 2 1 GCH C12 4.000 2.500 5.500 4.081 3.646 4.533 . 0 0 "[ . 1 . 2]" 1
33 1 98 HIS CB 2 1 GCH C21 5.000 3.000 7.000 7.634 7.066 8.381 1.381 19 13 "[ * .* ***** ****+-]" 1
34 1 89 LEU CD2 2 1 GCH C3 3.000 . 4.500 5.164 4.874 5.452 0.952 6 14 "[****.+ *1-****** *2]" 1
35 1 89 LEU CD1 2 1 GCH C3 5.000 3.000 7.000 5.289 4.990 5.561 . 0 0 "[ . 1 . 2]" 1
36 1 111 ILE CD1 3 1 CHO C3 6.000 . 6.500 3.761 2.735 4.610 . 0 0 "[ . 1 . 2]" 1
37 1 111 ILE CG2 3 1 CHO C3 6.000 . 6.500 5.232 3.644 6.112 . 0 0 "[ . 1 . 2]" 1
38 1 111 ILE CG2 2 1 GCH C12 3.000 . 4.500 3.768 3.458 4.198 . 0 0 "[ . 1 . 2]" 1
39 1 111 ILE CG2 2 1 GCH C21 5.000 3.000 7.000 5.829 5.198 6.757 . 0 0 "[ . 1 . 2]" 1
40 1 113 PHE CD1 2 1 GCH C21 4.000 2.500 5.500 4.266 3.345 5.134 . 0 0 "[ . 1 . 2]" 1
41 1 113 PHE CE1 2 1 GCH C21 4.000 2.500 5.500 4.472 3.686 5.227 . 0 0 "[ . 1 . 2]" 1
42 1 113 PHE CZ 2 1 GCH C21 4.000 2.500 5.500 4.874 4.107 5.701 0.201 19 0 "[ . 1 . 2]" 1
43 1 113 PHE CZ 2 1 GCH C18 4.000 2.500 5.500 4.448 3.692 4.918 . 0 0 "[ . 1 . 2]" 1
44 1 118 LEU CG 3 1 CHO C3 6.000 . 6.500 6.166 5.013 6.600 0.100 13 0 "[ . 1 . 2]" 1
45 1 118 LEU CG 3 1 CHO C19 6.000 . 6.500 4.851 4.050 5.489 . 0 0 "[ . 1 . 2]" 1
46 1 118 LEU CD2 3 1 CHO C3 6.000 . 6.500 4.522 3.591 4.967 . 0 0 "[ . 1 . 2]" 1
47 1 118 LEU CD2 3 1 CHO C19 6.000 . 6.500 2.900 2.343 3.393 . 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 2144
_Distance_constraint_stats_list.Viol_count 3687
_Distance_constraint_stats_list.Viol_total 4640.581
_Distance_constraint_stats_list.Viol_max 1.778
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0629
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PHE 5.406 0.157 14 0 "[ . 1 . 2]"
1 3 SER 2.096 0.169 10 0 "[ . 1 . 2]"
1 4 GLY 1.285 0.111 6 0 "[ . 1 . 2]"
1 5 THR 3.750 0.175 20 0 "[ . 1 . 2]"
1 6 TRP 13.669 0.210 10 0 "[ . 1 . 2]"
1 7 GLN 1.288 0.180 5 0 "[ . 1 . 2]"
1 8 VAL 10.980 1.117 16 4 "[ **- 1 .+ 2]"
1 9 TYR 5.398 0.245 4 0 "[ . 1 . 2]"
1 10 ALA 0.810 0.112 18 0 "[ . 1 . 2]"
1 11 GLN 1.318 0.199 18 0 "[ . 1 . 2]"
1 12 GLU 9.074 0.638 6 1 "[ .+ 1 . 2]"
1 13 ASN 16.258 0.638 6 1 "[ .+ 1 . 2]"
1 14 TYR 3.534 0.135 12 0 "[ . 1 . 2]"
1 15 GLU 3.553 0.284 18 0 "[ . 1 . 2]"
1 16 GLU 2.659 0.159 1 0 "[ . 1 . 2]"
1 17 PHE 6.528 0.217 4 0 "[ . 1 . 2]"
1 18 LEU 2.491 0.121 4 0 "[ . 1 . 2]"
1 19 LYS 2.838 0.159 1 0 "[ . 1 . 2]"
1 20 ALA 6.360 0.217 4 0 "[ . 1 . 2]"
1 21 LEU 1.516 0.094 4 0 "[ . 1 . 2]"
1 22 ALA 1.300 0.104 6 0 "[ . 1 . 2]"
1 23 LEU 5.594 0.212 11 0 "[ . 1 . 2]"
1 24 PRO 3.180 0.152 5 0 "[ . 1 . 2]"
1 25 GLU 1.403 0.166 4 0 "[ . 1 . 2]"
1 26 ASP 1.906 0.138 4 0 "[ . 1 . 2]"
1 27 LEU 7.329 0.167 9 0 "[ . 1 . 2]"
1 28 ILE 4.544 0.172 8 0 "[ . 1 . 2]"
1 29 LYS 3.910 0.313 16 0 "[ . 1 . 2]"
1 30 MET 7.083 0.194 12 0 "[ . 1 . 2]"
1 31 ALA 2.340 0.174 11 0 "[ . 1 . 2]"
1 32 ARG 1.335 0.113 12 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 5.516 0.202 3 0 "[ . 1 . 2]"
1 35 LYS 0.571 0.121 5 0 "[ . 1 . 2]"
1 36 PRO 1.331 0.139 20 0 "[ . 1 . 2]"
1 37 ILE 3.177 0.139 20 0 "[ . 1 . 2]"
1 38 VAL 2.061 0.141 13 0 "[ . 1 . 2]"
1 39 GLU 5.129 0.160 13 0 "[ . 1 . 2]"
1 40 ILE 5.797 0.160 13 0 "[ . 1 . 2]"
1 41 GLN 0.584 0.062 13 0 "[ . 1 . 2]"
1 42 GLN 6.723 0.317 14 0 "[ . 1 . 2]"
1 43 LYS 2.778 0.203 5 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 1.367 0.130 5 0 "[ . 1 . 2]"
1 46 ASP 2.224 0.193 7 0 "[ . 1 . 2]"
1 47 PHE 3.655 0.134 18 0 "[ . 1 . 2]"
1 48 VAL 3.651 0.119 16 0 "[ . 1 . 2]"
1 49 VAL 2.151 0.096 18 0 "[ . 1 . 2]"
1 50 THR 2.415 0.093 2 0 "[ . 1 . 2]"
1 51 SER 1.047 0.135 7 0 "[ . 1 . 2]"
1 52 LYS 2.935 0.215 16 0 "[ . 1 . 2]"
1 53 THR 5.116 0.234 10 0 "[ . 1 . 2]"
1 54 PRO 5.562 0.167 9 0 "[ . 1 . 2]"
1 55 ARG 0.670 0.152 2 0 "[ . 1 . 2]"
1 56 GLN 0.157 0.049 12 0 "[ . 1 . 2]"
1 57 THR 1.755 0.149 6 0 "[ . 1 . 2]"
1 58 VAL 2.492 0.234 10 0 "[ . 1 . 2]"
1 59 THR 0.743 0.085 8 0 "[ . 1 . 2]"
1 60 ASN 6.225 0.352 7 0 "[ . 1 . 2]"
1 61 SER 3.139 0.096 18 0 "[ . 1 . 2]"
1 62 PHE 4.748 0.193 7 0 "[ . 1 . 2]"
1 63 THR 0.281 0.101 17 0 "[ . 1 . 2]"
1 64 LEU 3.466 0.160 6 0 "[ . 1 . 2]"
1 65 GLY 0.524 0.065 6 0 "[ . 1 . 2]"
1 66 LYS 0.300 0.051 6 0 "[ . 1 . 2]"
1 67 GLU 0.185 0.051 6 0 "[ . 1 . 2]"
1 68 ALA 1.390 0.102 15 0 "[ . 1 . 2]"
1 69 ASP 2.437 0.310 7 0 "[ . 1 . 2]"
1 70 ILE 10.381 0.310 7 0 "[ . 1 . 2]"
1 71 THR 7.990 0.352 7 0 "[ . 1 . 2]"
1 72 THR 1.774 0.139 19 0 "[ . 1 . 2]"
1 73 MET 3.084 0.215 16 0 "[ . 1 . 2]"
1 74 ASP 2.373 0.204 1 0 "[ . 1 . 2]"
1 75 GLY 0.465 0.094 2 0 "[ . 1 . 2]"
1 76 LYS 3.429 0.153 3 0 "[ . 1 . 2]"
1 77 LYS 0.908 0.281 14 0 "[ . 1 . 2]"
1 78 LEU 1.237 0.086 17 0 "[ . 1 . 2]"
1 79 LYS 2.982 0.221 2 0 "[ . 1 . 2]"
1 80 CYS 3.636 0.148 3 0 "[ . 1 . 2]"
1 81 THR 4.215 1.778 6 1 "[ .+ 1 . 2]"
1 82 VAL 6.354 0.345 6 0 "[ . 1 . 2]"
1 83 HIS 8.979 1.778 6 1 "[ .+ 1 . 2]"
1 84 LEU 3.991 0.438 13 0 "[ . 1 . 2]"
1 85 ALA 5.625 0.438 13 0 "[ . 1 . 2]"
1 86 ASN 1.139 0.289 18 0 "[ . 1 . 2]"
1 87 GLY 0.310 0.090 2 0 "[ . 1 . 2]"
1 88 LYS 4.669 1.176 4 2 "[ +. - . 2]"
1 89 LEU 3.450 0.157 14 0 "[ . 1 . 2]"
1 90 VAL 6.636 1.553 6 1 "[ .+ 1 . 2]"
1 91 CYS 0.805 0.126 2 0 "[ . 1 . 2]"
1 92 LYS 3.948 0.178 8 0 "[ . 1 . 2]"
1 93 SER 2.283 0.111 3 0 "[ . 1 . 2]"
1 94 GLU 0.753 0.299 20 0 "[ . 1 . 2]"
1 95 LYS 2.509 0.170 15 0 "[ . 1 . 2]"
1 96 PHE 2.766 0.170 15 0 "[ . 1 . 2]"
1 97 SER 1.762 0.164 10 0 "[ . 1 . 2]"
1 98 HIS 3.833 0.213 4 0 "[ . 1 . 2]"
1 99 GLU 6.967 0.402 19 0 "[ . 1 . 2]"
1 101 GLU 0.206 0.047 5 0 "[ . 1 . 2]"
1 102 VAL 1.308 0.071 16 0 "[ . 1 . 2]"
1 103 LYS 1.436 0.094 20 0 "[ . 1 . 2]"
1 104 GLY 0.376 0.083 11 0 "[ . 1 . 2]"
1 105 ASN 1.002 0.132 13 0 "[ . 1 . 2]"
1 106 GLU 0.831 0.090 12 0 "[ . 1 . 2]"
1 107 MET 4.861 0.178 9 0 "[ . 1 . 2]"
1 108 VAL 0.037 0.019 19 0 "[ . 1 . 2]"
1 109 GLU 3.785 0.402 19 0 "[ . 1 . 2]"
1 110 THR 2.790 0.169 12 0 "[ . 1 . 2]"
1 111 ILE 4.957 0.235 4 0 "[ . 1 . 2]"
1 112 THR 4.184 0.387 19 0 "[ . 1 . 2]"
1 113 PHE 6.811 0.164 4 0 "[ . 1 . 2]"
1 114 GLY 0.385 0.095 12 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 VAL 5.826 0.164 4 0 "[ . 1 . 2]"
1 117 THR 5.354 0.773 8 2 "[ - + 1 . 2]"
1 118 LEU 10.221 0.773 8 2 "[ - + 1 . 2]"
1 119 ILE 7.287 0.241 8 0 "[ . 1 . 2]"
1 120 ARG 3.366 0.718 5 1 "[ + 1 . 2]"
1 121 ARG 11.150 0.384 6 0 "[ . 1 . 2]"
1 122 SER 7.495 0.213 12 0 "[ . 1 . 2]"
1 123 LYS 6.372 1.117 16 4 "[ **- 1 .+ 2]"
1 124 ARG 5.426 0.257 1 0 "[ . 1 . 2]"
1 125 VAL 3.472 0.257 1 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 2 PHE HB3 1 40 ILE MD 2.625 . 3.450 2.401 2.113 2.623 . 0 0 "[ . 1 . 2]" 2
2 1 3 SER QB 1 42 GLN H 2.635 . 3.470 2.488 2.031 3.181 . 0 0 "[ . 1 . 2]" 2
3 1 3 SER QB 1 4 GLY H 2.935 . 4.070 3.608 3.335 3.900 . 0 0 "[ . 1 . 2]" 2
4 1 4 GLY HA3 1 6 TRP H 3.650 . 5.500 5.558 5.478 5.611 0.111 6 0 "[ . 1 . 2]" 2
5 1 4 GLY HA3 1 5 THR H 2.625 . 3.450 2.274 2.198 2.402 . 0 0 "[ . 1 . 2]" 2
6 1 5 THR HB 1 39 GLU HG2 3.415 . 5.030 4.587 4.362 4.716 . 0 0 "[ . 1 . 2]" 2
7 1 5 THR H 1 5 THR HB 2.760 . 3.720 3.710 3.643 3.765 0.045 7 0 "[ . 1 . 2]" 2
8 1 5 THR HB 1 6 TRP H 3.025 . 4.250 3.497 3.431 3.556 . 0 0 "[ . 1 . 2]" 2
9 1 5 THR HB 1 39 GLU HA 3.015 . 4.230 4.213 3.965 4.309 0.079 13 0 "[ . 1 . 2]" 2
10 1 53 THR MG 1 57 THR HA 2.470 . 3.140 3.097 2.552 3.245 0.105 1 0 "[ . 1 . 2]" 2
11 1 5 THR HA 1 5 THR MG 2.400 . 3.000 2.226 2.178 2.274 . 0 0 "[ . 1 . 2]" 2
12 1 5 THR MG 1 40 ILE H 2.585 . 3.370 3.298 3.122 3.416 0.046 15 0 "[ . 1 . 2]" 2
13 1 8 VAL MG1 1 120 ARG HD3 3.785 . 5.770 4.305 3.356 5.756 . 0 0 "[ . 1 . 2]" 2
14 1 8 VAL MG1 1 120 ARG HD2 3.785 . 5.770 3.632 2.038 5.089 . 0 0 "[ . 1 . 2]" 2
15 1 8 VAL H 1 8 VAL MG1 2.760 . 3.720 2.840 1.826 3.818 0.098 13 0 "[ . 1 . 2]" 2
16 1 9 TYR QD 1 10 ALA MB 3.240 . 4.680 4.568 4.292 4.724 0.044 18 0 "[ . 1 . 2]" 2
17 1 12 GLU HA 1 12 GLU HG3 2.800 . 3.800 2.972 2.146 3.843 0.043 16 0 "[ . 1 . 2]" 2
18 1 12 GLU HA 1 12 GLU HG2 2.800 . 3.800 3.197 2.443 3.662 . 0 0 "[ . 1 . 2]" 2
19 1 5 THR MG 1 39 GLU HG3 2.965 . 4.130 2.078 1.934 2.292 . 0 0 "[ . 1 . 2]" 2
20 1 5 THR MG 1 39 GLU HG2 2.855 . 3.910 2.176 2.113 2.326 . 0 0 "[ . 1 . 2]" 2
21 1 13 ASN HB2 1 13 ASN HD21 2.665 . 3.530 2.419 2.088 3.209 . 0 0 "[ . 1 . 2]" 2
22 1 13 ASN HB3 1 16 GLU HB3 3.160 . 4.520 3.758 2.119 4.576 0.056 1 0 "[ . 1 . 2]" 2
23 1 13 ASN HB3 1 118 LEU MD1 3.650 . 5.500 4.431 3.991 4.911 . 0 0 "[ . 1 . 2]" 2
24 1 13 ASN HB2 1 118 LEU HB2 3.650 . 5.500 4.176 3.740 4.704 . 0 0 "[ . 1 . 2]" 2
25 1 13 ASN HB2 1 118 LEU MD1 3.650 . 5.500 3.460 3.074 3.784 . 0 0 "[ . 1 . 2]" 2
26 1 14 TYR QD 1 15 GLU HA 3.650 . 5.500 2.866 2.740 3.154 . 0 0 "[ . 1 . 2]" 2
27 1 15 GLU HA 1 15 GLU HG3 2.855 . 3.910 3.816 3.507 4.194 0.284 18 0 "[ . 1 . 2]" 2
28 1 15 GLU HA 1 15 GLU HG2 2.855 . 3.910 3.745 3.561 3.982 0.072 16 0 "[ . 1 . 2]" 2
29 1 13 ASN HB3 1 16 GLU HB2 3.160 . 4.520 3.921 3.255 4.598 0.078 18 0 "[ . 1 . 2]" 2
30 1 14 TYR QD 1 15 GLU HB2 3.620 . 5.440 4.480 3.898 4.699 . 0 0 "[ . 1 . 2]" 2
31 1 16 GLU H 1 16 GLU HB2 2.670 . 3.540 2.391 2.140 2.742 . 0 0 "[ . 1 . 2]" 2
32 1 17 PHE HA 1 17 PHE QD 2.780 . 3.760 2.293 2.112 2.983 . 0 0 "[ . 1 . 2]" 2
33 1 14 TYR HA 1 17 PHE HB2 3.295 . 4.790 3.897 3.457 4.362 . 0 0 "[ . 1 . 2]" 2
34 1 17 PHE HB2 1 118 LEU HB2 2.820 . 3.840 2.725 2.438 3.270 . 0 0 "[ . 1 . 2]" 2
35 1 17 PHE HB3 1 118 LEU MD2 2.905 . 4.010 2.662 2.437 2.853 . 0 0 "[ . 1 . 2]" 2
36 1 17 PHE HB2 1 20 ALA MB 3.650 . 5.500 4.508 4.352 4.741 . 0 0 "[ . 1 . 2]" 2
37 1 17 PHE HB2 1 21 LEU MD1 3.650 . 5.500 4.869 4.615 5.098 . 0 0 "[ . 1 . 2]" 2
38 1 17 PHE HB2 1 118 LEU HG 3.650 . 5.500 5.522 5.298 5.663 0.163 4 0 "[ . 1 . 2]" 2
39 1 17 PHE HB3 1 118 LEU HG 3.650 . 5.500 5.364 5.177 5.541 0.041 7 0 "[ . 1 . 2]" 2
40 1 17 PHE QD 1 18 LEU HA 3.650 . 5.500 4.300 3.496 4.510 . 0 0 "[ . 1 . 2]" 2
41 1 18 LEU HA 1 21 LEU H 3.140 . 4.480 3.564 3.349 3.879 . 0 0 "[ . 1 . 2]" 2
42 1 18 LEU HA 1 20 ALA H 3.650 . 5.500 3.949 3.738 4.221 . 0 0 "[ . 1 . 2]" 2
43 1 18 LEU HB2 1 18 LEU MD1 2.725 . 3.650 2.480 2.348 2.565 . 0 0 "[ . 1 . 2]" 2
44 1 18 LEU HB2 1 18 LEU MD2 2.740 . 3.680 3.186 3.172 3.199 . 0 0 "[ . 1 . 2]" 2
45 1 18 LEU HB2 1 28 ILE MG 2.910 . 4.020 2.219 1.984 2.530 . 0 0 "[ . 1 . 2]" 2
46 1 18 LEU HB3 1 18 LEU MD1 2.725 . 3.650 2.218 2.119 2.343 . 0 0 "[ . 1 . 2]" 2
47 1 18 LEU HB3 1 18 LEU MD2 2.740 . 3.680 2.515 2.452 2.608 . 0 0 "[ . 1 . 2]" 2
48 1 18 LEU HB3 1 28 ILE MG 2.910 . 4.020 3.136 2.729 3.576 . 0 0 "[ . 1 . 2]" 2
49 1 18 LEU HG 1 28 ILE MG 2.910 . 4.020 3.237 2.992 3.393 . 0 0 "[ . 1 . 2]" 2
50 1 19 LYS HG3 1 28 ILE MG 3.080 . 4.360 3.782 2.996 4.347 . 0 0 "[ . 1 . 2]" 2
51 1 19 LYS QE 1 19 LYS HG3 2.655 . 3.510 2.566 2.366 3.060 . 0 0 "[ . 1 . 2]" 2
52 1 18 LEU HG 1 28 ILE HA 3.265 . 4.730 4.714 4.561 4.808 0.078 12 0 "[ . 1 . 2]" 2
53 1 16 GLU HA 1 19 LYS HG3 2.805 . 3.810 2.245 2.022 2.558 . 0 0 "[ . 1 . 2]" 2
54 1 19 LYS HA 1 19 LYS HG3 2.885 . 3.970 3.757 3.300 3.968 . 0 0 "[ . 1 . 2]" 2
55 1 17 PHE HB3 1 18 LEU MD2 2.860 . 3.920 3.186 2.920 3.365 . 0 0 "[ . 1 . 2]" 2
56 1 18 LEU HA 1 18 LEU MD2 2.505 . 3.210 2.107 2.021 2.178 . 0 0 "[ . 1 . 2]" 2
57 1 14 TYR QE 1 18 LEU MD2 2.655 . 3.510 3.247 2.856 3.462 . 0 0 "[ . 1 . 2]" 2
58 1 18 LEU MD1 1 28 ILE HA 2.855 . 3.910 2.128 1.966 2.304 . 0 0 "[ . 1 . 2]" 2
59 1 15 GLU HA 1 18 LEU MD1 2.825 . 3.850 2.496 2.060 3.119 . 0 0 "[ . 1 . 2]" 2
60 1 18 LEU HA 1 18 LEU MD1 3.015 . 4.230 3.762 3.669 3.821 . 0 0 "[ . 1 . 2]" 2
61 1 18 LEU MD1 1 32 ARG HA 3.140 . 4.480 4.069 3.611 4.411 . 0 0 "[ . 1 . 2]" 2
62 1 14 TYR HA 1 18 LEU MD1 3.650 . 5.500 5.064 4.884 5.226 . 0 0 "[ . 1 . 2]" 2
63 1 14 TYR QD 1 18 LEU MD1 3.210 . 4.620 2.988 2.545 3.332 . 0 0 "[ . 1 . 2]" 2
64 1 18 LEU MD1 1 28 ILE H 3.180 . 4.560 4.291 4.158 4.507 . 0 0 "[ . 1 . 2]" 2
65 1 18 LEU MD1 1 31 ALA H 3.440 . 5.080 4.136 3.849 4.521 . 0 0 "[ . 1 . 2]" 2
66 1 19 LYS HA 1 23 LEU H 3.480 . 5.160 3.283 3.075 3.626 . 0 0 "[ . 1 . 2]" 2
67 1 19 LYS HA 1 19 LYS QB 2.295 . 2.790 2.271 2.226 2.317 . 0 0 "[ . 1 . 2]" 2
68 1 29 LYS QB 1 32 ARG QD 2.875 . 3.950 3.886 3.652 4.020 0.070 10 0 "[ . 1 . 2]" 2
69 1 29 LYS QB 1 29 LYS QE 2.990 . 4.180 2.787 1.949 3.833 . 0 0 "[ . 1 . 2]" 2
70 1 19 LYS QE 1 19 LYS HG2 2.380 . 2.960 2.313 2.150 2.497 . 0 0 "[ . 1 . 2]" 2
71 1 19 LYS HA 1 19 LYS HG2 2.545 . 3.290 2.715 2.553 3.027 . 0 0 "[ . 1 . 2]" 2
72 1 19 LYS HG2 1 20 ALA H 3.300 . 4.800 4.373 4.006 4.822 0.022 3 0 "[ . 1 . 2]" 2
73 1 19 LYS HG2 1 28 ILE MD 2.800 . 3.800 2.214 1.862 3.011 . 0 0 "[ . 1 . 2]" 2
74 1 19 LYS HG2 1 28 ILE MG 2.735 . 3.670 2.858 2.558 3.197 . 0 0 "[ . 1 . 2]" 2
75 1 19 LYS QB 1 20 ALA HA 3.590 . 5.380 3.927 3.826 4.027 . 0 0 "[ . 1 . 2]" 2
76 1 17 PHE QD 1 20 ALA HA 3.650 . 5.500 5.566 5.492 5.717 0.217 4 0 "[ . 1 . 2]" 2
77 1 20 ALA HA 1 23 LEU H 3.650 . 5.500 5.645 5.564 5.712 0.212 11 0 "[ . 1 . 2]" 2
78 1 20 ALA MB 1 21 LEU MD2 3.425 . 5.050 3.869 3.051 4.515 . 0 0 "[ . 1 . 2]" 2
79 1 20 ALA MB 1 116 VAL HB 2.790 . 3.780 3.457 3.224 3.669 . 0 0 "[ . 1 . 2]" 2
80 1 20 ALA MB 1 21 LEU HG 2.700 . 3.600 3.104 2.911 3.306 . 0 0 "[ . 1 . 2]" 2
81 1 19 LYS QB 1 20 ALA MB 2.955 . 4.110 3.868 3.710 3.999 . 0 0 "[ . 1 . 2]" 2
82 1 20 ALA MB 1 114 GLY QA 2.730 . 3.660 1.999 1.840 2.218 . 0 0 "[ . 1 . 2]" 2
83 1 17 PHE HA 1 20 ALA MB 2.460 . 3.120 2.655 2.327 2.893 . 0 0 "[ . 1 . 2]" 2
84 1 17 PHE QD 1 20 ALA MB 2.665 . 3.530 2.609 2.460 3.078 . 0 0 "[ . 1 . 2]" 2
85 1 20 ALA MB 1 21 LEU H 2.620 . 3.440 3.062 2.784 3.353 . 0 0 "[ . 1 . 2]" 2
86 1 21 LEU HA 1 23 LEU H 3.485 . 5.170 4.684 4.517 4.910 . 0 0 "[ . 1 . 2]" 2
87 1 20 ALA H 1 21 LEU HA 3.555 . 5.310 5.038 4.938 5.138 . 0 0 "[ . 1 . 2]" 2
88 1 21 LEU HB2 1 21 LEU MD2 3.005 . 4.210 3.101 2.906 3.182 . 0 0 "[ . 1 . 2]" 2
89 1 21 LEU HB3 1 21 LEU MD2 2.735 . 3.670 2.197 2.091 2.335 . 0 0 "[ . 1 . 2]" 2
90 1 21 LEU HB2 1 21 LEU MD1 2.825 . 3.850 2.160 2.082 2.292 . 0 0 "[ . 1 . 2]" 2
91 1 21 LEU HB3 1 21 LEU MD1 2.815 . 3.830 2.652 2.461 2.948 . 0 0 "[ . 1 . 2]" 2
92 1 21 LEU HB2 1 23 LEU H 3.180 . 4.560 3.310 3.081 3.583 . 0 0 "[ . 1 . 2]" 2
93 1 21 LEU HB3 1 23 LEU H 3.345 . 4.890 4.478 4.161 4.904 0.014 12 0 "[ . 1 . 2]" 2
94 1 21 LEU H 1 21 LEU HB3 2.825 . 3.850 3.656 3.605 3.772 . 0 0 "[ . 1 . 2]" 2
95 1 20 ALA H 1 21 LEU HB2 3.350 . 4.900 4.653 4.421 4.928 0.028 12 0 "[ . 1 . 2]" 2
96 1 21 LEU H 1 21 LEU HG 2.890 . 3.980 2.591 2.294 2.942 . 0 0 "[ . 1 . 2]" 2
97 1 65 GLY H 1 82 VAL MG1 3.650 . 5.500 4.486 3.350 4.931 . 0 0 "[ . 1 . 2]" 2
98 1 82 VAL MG1 1 83 HIS H 3.000 . 4.200 2.671 2.100 4.162 . 0 0 "[ . 1 . 2]" 2
99 1 17 PHE QE 1 21 LEU MD2 2.600 . 3.400 2.650 2.007 3.296 . 0 0 "[ . 1 . 2]" 2
100 1 17 PHE QD 1 21 LEU MD2 3.115 . 4.430 3.908 3.413 4.433 0.003 2 0 "[ . 1 . 2]" 2
101 1 62 PHE QD 1 82 VAL MG1 2.995 . 4.190 3.221 2.152 3.736 . 0 0 "[ . 1 . 2]" 2
102 1 21 LEU H 1 21 LEU MD1 2.885 . 3.970 3.195 2.263 3.645 . 0 0 "[ . 1 . 2]" 2
103 1 17 PHE QE 1 21 LEU MD1 2.860 . 3.920 2.710 2.109 3.040 . 0 0 "[ . 1 . 2]" 2
104 1 17 PHE QD 1 21 LEU MD1 2.925 . 4.050 2.990 1.970 3.322 . 0 0 "[ . 1 . 2]" 2
105 1 18 LEU HA 1 21 LEU MD1 2.700 . 3.600 2.026 1.811 2.296 . 0 0 "[ . 1 . 2]" 2
106 1 21 LEU H 1 22 ALA HA 3.245 . 4.690 4.496 4.165 4.669 . 0 0 "[ . 1 . 2]" 2
107 1 19 LYS HA 1 23 LEU QB 2.965 . 4.130 3.799 3.653 4.045 . 0 0 "[ . 1 . 2]" 2
108 1 22 ALA H 1 23 LEU QB 3.325 . 4.850 4.613 4.378 4.855 0.005 10 0 "[ . 1 . 2]" 2
109 1 21 LEU H 1 23 LEU HG 3.650 . 5.500 3.947 3.365 4.478 . 0 0 "[ . 1 . 2]" 2
110 1 22 ALA H 1 23 LEU MD1 3.650 . 5.500 5.008 4.585 5.521 0.021 10 0 "[ . 1 . 2]" 2
111 1 23 LEU H 1 23 LEU MD1 3.065 . 4.330 3.618 3.382 3.965 . 0 0 "[ . 1 . 2]" 2
112 1 23 LEU HA 1 23 LEU MD1 2.855 . 3.910 3.842 3.682 3.885 . 0 0 "[ . 1 . 2]" 2
113 1 23 LEU MD1 1 74 ASP HB3 3.545 . 5.290 4.972 3.797 5.384 0.094 12 0 "[ . 1 . 2]" 2
114 1 23 LEU MD2 1 24 PRO HD2 3.055 . 4.310 2.836 2.221 3.738 . 0 0 "[ . 1 . 2]" 2
115 1 24 PRO HB3 1 26 ASP H 3.375 . 4.950 3.953 3.602 4.461 . 0 0 "[ . 1 . 2]" 2
116 1 23 LEU QB 1 24 PRO QG 3.205 . 4.610 3.832 3.494 4.046 . 0 0 "[ . 1 . 2]" 2
117 1 24 PRO QG 1 27 LEU MD1 3.175 . 4.550 3.195 2.764 3.749 . 0 0 "[ . 1 . 2]" 2
118 1 24 PRO QG 1 27 LEU MD2 3.175 . 4.550 3.139 2.462 4.208 . 0 0 "[ . 1 . 2]" 2
119 1 23 LEU MD1 1 24 PRO HD2 3.055 . 4.310 3.917 3.666 4.262 . 0 0 "[ . 1 . 2]" 2
120 1 24 PRO HD2 1 27 LEU MD2 3.145 . 4.490 2.876 2.044 3.616 . 0 0 "[ . 1 . 2]" 2
121 1 23 LEU QB 1 24 PRO HD2 2.700 . 3.600 2.101 1.893 2.277 . 0 0 "[ . 1 . 2]" 2
122 1 23 LEU QB 1 24 PRO HD3 2.700 . 3.600 2.852 2.536 3.374 . 0 0 "[ . 1 . 2]" 2
123 1 53 THR MG 1 54 PRO HD2 2.830 . 3.860 3.845 3.420 4.009 0.149 19 0 "[ . 1 . 2]" 2
124 1 24 PRO HD3 1 27 LEU QB 3.180 . 4.560 4.102 3.795 4.372 . 0 0 "[ . 1 . 2]" 2
125 1 24 PRO HD2 1 27 LEU QB 2.765 . 3.730 2.712 2.218 3.329 . 0 0 "[ . 1 . 2]" 2
126 1 23 LEU HA 1 24 PRO HD2 2.525 . 3.250 3.003 2.492 3.250 0.000 16 0 "[ . 1 . 2]" 2
127 1 23 LEU HA 1 24 PRO HD3 2.405 . 3.010 2.151 1.970 2.478 . 0 0 "[ . 1 . 2]" 2
128 1 25 GLU HB2 1 26 ASP H 2.825 . 3.850 3.092 2.670 3.945 0.095 8 0 "[ . 1 . 2]" 2
129 1 26 ASP HA 1 30 MET H 3.515 . 5.230 5.162 4.748 5.321 0.091 9 0 "[ . 1 . 2]" 2
130 1 26 ASP HA 1 29 LYS H 2.885 . 3.970 3.704 3.462 3.878 . 0 0 "[ . 1 . 2]" 2
131 1 26 ASP H 1 26 ASP HB3 2.785 . 3.770 2.687 2.354 3.562 . 0 0 "[ . 1 . 2]" 2
132 1 27 LEU HA 1 30 MET H 2.720 . 3.640 3.311 2.980 3.550 . 0 0 "[ . 1 . 2]" 2
133 1 84 LEU QD 1 85 ALA H 2.805 . 3.810 2.806 1.734 3.477 0.066 7 0 "[ . 1 . 2]" 2
134 1 84 LEU H 1 84 LEU QD 2.840 . 3.880 3.762 3.665 3.823 . 0 0 "[ . 1 . 2]" 2
135 1 84 LEU HA 1 84 LEU QD 2.500 . 3.200 2.203 1.864 3.002 . 0 0 "[ . 1 . 2]" 2
136 1 84 LEU QD 1 85 ALA HA 3.105 . 4.410 3.873 2.550 4.505 0.095 4 0 "[ . 1 . 2]" 2
137 1 27 LEU HA 1 27 LEU MD1 2.885 . 3.970 2.770 2.394 3.408 . 0 0 "[ . 1 . 2]" 2
138 1 24 PRO HD2 1 27 LEU MD1 3.145 . 4.490 4.140 2.955 4.553 0.063 11 0 "[ . 1 . 2]" 2
139 1 27 LEU H 1 27 LEU MD1 3.405 . 5.010 4.003 3.596 4.310 . 0 0 "[ . 1 . 2]" 2
140 1 27 LEU MD1 1 30 MET H 3.650 . 5.500 5.296 5.006 5.642 0.142 7 0 "[ . 1 . 2]" 2
141 1 84 LEU QD 1 86 ASN HA 3.485 . 5.170 4.766 3.698 5.243 0.073 9 0 "[ . 1 . 2]" 2
142 1 27 LEU HA 1 28 ILE HA 3.650 . 5.500 4.835 4.791 4.867 . 0 0 "[ . 1 . 2]" 2
143 1 28 ILE HA 1 31 ALA HA 3.650 . 5.500 5.349 5.087 5.672 0.172 8 0 "[ . 1 . 2]" 2
144 1 25 GLU HA 1 28 ILE HB 2.590 . 3.380 2.466 1.968 3.315 . 0 0 "[ . 1 . 2]" 2
145 1 28 ILE HB 1 28 ILE MD 2.620 . 3.440 2.385 2.254 3.243 . 0 0 "[ . 1 . 2]" 2
146 1 28 ILE H 1 28 ILE HB 2.500 . 3.200 2.479 2.362 2.848 . 0 0 "[ . 1 . 2]" 2
147 1 19 LYS HA 1 28 ILE MD 2.610 . 3.420 2.569 2.315 3.400 . 0 0 "[ . 1 . 2]" 2
148 1 25 GLU HA 1 28 ILE MD 2.535 . 3.270 2.041 1.885 3.159 . 0 0 "[ . 1 . 2]" 2
149 1 24 PRO HD2 1 28 ILE MD 3.060 . 4.320 4.327 3.295 4.438 0.118 3 0 "[ . 1 . 2]" 2
150 1 19 LYS QE 1 28 ILE MD 3.000 . 4.200 2.555 2.052 3.665 . 0 0 "[ . 1 . 2]" 2
151 1 28 ILE H 1 28 ILE MG 2.785 . 3.770 3.744 3.718 3.767 . 0 0 "[ . 1 . 2]" 2
152 1 25 GLU HA 1 28 ILE MG 2.795 . 3.790 3.676 3.354 3.941 0.151 4 0 "[ . 1 . 2]" 2
153 1 15 GLU HA 1 28 ILE MG 2.870 . 3.940 2.565 2.184 2.895 . 0 0 "[ . 1 . 2]" 2
154 1 28 ILE HA 1 28 ILE MG 2.490 . 3.180 2.468 2.316 2.569 . 0 0 "[ . 1 . 2]" 2
155 1 26 ASP HA 1 29 LYS QB 2.640 . 3.480 3.364 2.966 3.589 0.109 10 0 "[ . 1 . 2]" 2
156 1 29 LYS QB 1 30 MET H 2.615 . 3.430 2.881 2.539 3.158 . 0 0 "[ . 1 . 2]" 2
157 1 30 MET H 1 30 MET HB2 2.795 . 3.790 2.786 2.327 3.691 . 0 0 "[ . 1 . 2]" 2
158 1 30 MET HG2 1 34 ILE MD 3.650 . 5.500 4.622 3.470 5.518 0.018 2 0 "[ . 1 . 2]" 2
159 1 30 MET HG3 1 34 ILE MD 3.650 . 5.500 4.637 2.021 5.657 0.157 9 0 "[ . 1 . 2]" 2
160 1 30 MET HA 1 30 MET HG2 2.850 . 3.900 3.226 2.538 3.758 . 0 0 "[ . 1 . 2]" 2
161 1 30 MET HA 1 30 MET HG3 2.850 . 3.900 3.124 2.272 3.950 0.050 19 0 "[ . 1 . 2]" 2
162 1 18 LEU MD1 1 31 ALA MB 2.625 . 3.450 2.132 1.905 2.675 . 0 0 "[ . 1 . 2]" 2
163 1 28 ILE HA 1 31 ALA MB 2.690 . 3.580 2.563 2.310 2.951 . 0 0 "[ . 1 . 2]" 2
164 1 30 MET H 1 31 ALA MB 3.055 . 4.310 3.945 3.811 4.163 . 0 0 "[ . 1 . 2]" 2
165 1 14 TYR QD 1 32 ARG HA 3.000 . 4.200 2.848 2.513 3.301 . 0 0 "[ . 1 . 2]" 2
166 1 34 ILE MG 1 36 PRO QG 2.695 . 3.590 2.789 2.062 3.616 0.026 15 0 "[ . 1 . 2]" 2
167 1 32 ARG HB2 1 32 ARG QD 2.400 . 3.000 2.536 2.157 3.035 0.035 6 0 "[ . 1 . 2]" 2
168 1 32 ARG HB3 1 32 ARG QD 2.400 . 3.000 2.522 2.264 3.032 0.032 18 0 "[ . 1 . 2]" 2
169 1 33 ASP H 1 34 ILE HB 3.475 . 5.150 4.257 4.059 4.448 . 0 0 "[ . 1 . 2]" 2
170 1 67 GLU HG2 1 80 CYS H 3.585 . 5.370 4.524 4.098 5.151 . 0 0 "[ . 1 . 2]" 2
171 1 34 ILE HB 1 35 LYS H 3.295 . 4.790 4.214 3.986 4.437 . 0 0 "[ . 1 . 2]" 2
172 1 31 ALA HA 1 34 ILE HG12 3.010 . 4.220 4.216 3.580 4.394 0.174 11 0 "[ . 1 . 2]" 2
173 1 31 ALA HA 1 34 ILE HG13 2.750 . 3.700 2.734 2.140 3.053 . 0 0 "[ . 1 . 2]" 2
174 1 34 ILE HA 1 34 ILE HG13 2.675 . 3.550 3.257 3.048 3.473 . 0 0 "[ . 1 . 2]" 2
175 1 31 ALA HA 1 34 ILE MD 2.635 . 3.470 2.930 1.872 3.564 0.094 3 0 "[ . 1 . 2]" 2
176 1 34 ILE MD 1 54 PRO HD3 2.855 . 3.910 3.671 2.322 3.959 0.049 2 0 "[ . 1 . 2]" 2
177 1 34 ILE H 1 34 ILE MG 2.825 . 3.850 3.799 3.771 3.873 0.023 13 0 "[ . 1 . 2]" 2
178 1 34 ILE HA 1 34 ILE MG 2.555 . 3.310 2.387 2.258 2.546 . 0 0 "[ . 1 . 2]" 2
179 1 9 TYR QE 1 123 LYS QE 3.255 . 4.710 3.391 2.327 4.764 0.054 10 0 "[ . 1 . 2]" 2
180 1 9 TYR QD 1 123 LYS QE 3.085 . 4.370 3.856 3.056 4.350 . 0 0 "[ . 1 . 2]" 2
181 1 35 LYS HA 1 35 LYS HG2 2.945 . 4.090 3.081 2.528 3.750 . 0 0 "[ . 1 . 2]" 2
182 1 84 LEU H 1 84 LEU HG 3.255 . 4.710 4.507 4.405 4.690 . 0 0 "[ . 1 . 2]" 2
183 1 84 LEU HG 1 88 LYS H 3.465 . 5.130 4.042 3.214 5.219 0.089 13 0 "[ . 1 . 2]" 2
184 1 84 LEU HA 1 84 LEU HG 2.990 . 4.180 3.097 2.324 3.713 . 0 0 "[ . 1 . 2]" 2
185 1 120 ARG HA 1 120 ARG HG3 3.005 . 4.210 3.177 2.388 3.811 . 0 0 "[ . 1 . 2]" 2
186 1 34 ILE MG 1 36 PRO HD3 2.695 . 3.590 2.073 1.982 2.158 . 0 0 "[ . 1 . 2]" 2
187 1 34 ILE MG 1 36 PRO HD2 2.695 . 3.590 3.606 3.383 3.668 0.078 20 0 "[ . 1 . 2]" 2
188 1 35 LYS HA 1 36 PRO HD2 2.695 . 3.590 2.319 1.950 2.823 . 0 0 "[ . 1 . 2]" 2
189 1 36 PRO HA 1 37 ILE HB 3.265 . 4.730 4.415 4.267 4.620 . 0 0 "[ . 1 . 2]" 2
190 1 37 ILE HB 1 38 VAL H 3.650 . 5.500 4.113 4.069 4.162 . 0 0 "[ . 1 . 2]" 2
191 1 7 GLN HA 1 37 ILE HG13 2.760 . 3.720 3.372 3.219 3.529 . 0 0 "[ . 1 . 2]" 2
192 1 7 GLN HA 1 37 ILE HG12 2.730 . 3.660 2.319 2.188 2.498 . 0 0 "[ . 1 . 2]" 2
193 1 37 ILE HA 1 37 ILE HG12 2.935 . 4.070 2.273 2.162 2.368 . 0 0 "[ . 1 . 2]" 2
194 1 8 VAL H 1 37 ILE HG12 2.885 . 3.970 4.042 3.979 4.097 0.127 19 0 "[ . 1 . 2]" 2
195 1 6 TRP H 1 37 ILE HG13 3.605 . 5.410 4.586 4.288 4.950 . 0 0 "[ . 1 . 2]" 2
196 1 37 ILE HG12 1 39 GLU H 3.650 . 5.500 5.450 5.306 5.534 0.034 6 0 "[ . 1 . 2]" 2
197 1 37 ILE MG 1 38 VAL H 3.110 . 4.420 3.754 3.607 3.924 . 0 0 "[ . 1 . 2]" 2
198 1 37 ILE MG 1 39 GLU H 3.310 . 4.820 3.901 3.516 4.234 . 0 0 "[ . 1 . 2]" 2
199 1 39 GLU HG3 1 40 ILE H 3.005 . 4.210 4.300 4.251 4.370 0.160 13 0 "[ . 1 . 2]" 2
200 1 39 GLU HG2 1 40 ILE H 3.015 . 4.230 3.954 3.637 4.207 . 0 0 "[ . 1 . 2]" 2
201 1 39 GLU HA 1 39 GLU HG3 2.810 . 3.820 2.343 2.270 2.418 . 0 0 "[ . 1 . 2]" 2
202 1 37 ILE MD 1 39 GLU HG3 2.595 . 3.390 2.303 2.148 2.478 . 0 0 "[ . 1 . 2]" 2
203 1 37 ILE MD 1 39 GLU HG2 2.735 . 3.670 3.590 3.356 3.710 0.040 19 0 "[ . 1 . 2]" 2
204 1 40 ILE HB 1 40 ILE MD 2.540 . 3.280 3.200 3.184 3.216 . 0 0 "[ . 1 . 2]" 2
205 1 40 ILE H 1 40 ILE HG12 3.310 . 4.820 4.633 4.597 4.673 . 0 0 "[ . 1 . 2]" 2
206 1 40 ILE HG13 1 41 GLN H 3.640 . 5.480 4.284 4.104 4.499 . 0 0 "[ . 1 . 2]" 2
207 1 6 TRP HD1 1 40 ILE HG13 3.650 . 5.500 5.470 5.260 5.555 0.055 14 0 "[ . 1 . 2]" 2
208 1 40 ILE HA 1 40 ILE HG13 2.880 . 3.960 3.553 3.511 3.590 . 0 0 "[ . 1 . 2]" 2
209 1 40 ILE HA 1 40 ILE HG12 2.915 . 4.030 2.388 2.326 2.427 . 0 0 "[ . 1 . 2]" 2
210 1 40 ILE MD 1 48 VAL H 3.200 . 4.600 3.572 3.291 3.974 . 0 0 "[ . 1 . 2]" 2
211 1 2 PHE QD 1 40 ILE MD 2.965 . 4.130 3.820 3.461 4.142 0.012 7 0 "[ . 1 . 2]" 2
212 1 3 SER HA 1 40 ILE MD 2.550 . 3.300 2.116 1.969 2.321 . 0 0 "[ . 1 . 2]" 2
213 1 2 PHE HB2 1 40 ILE MD 2.795 . 3.790 3.323 2.897 3.604 . 0 0 "[ . 1 . 2]" 2
214 1 6 TRP H 1 40 ILE MG 2.750 . 3.700 3.702 3.621 3.778 0.078 18 0 "[ . 1 . 2]" 2
215 1 2 PHE QD 1 40 ILE MG 3.150 . 4.500 3.904 3.477 4.447 . 0 0 "[ . 1 . 2]" 2
216 1 6 TRP HZ2 1 40 ILE MG 3.365 . 4.930 4.346 4.232 4.449 . 0 0 "[ . 1 . 2]" 2
217 1 40 ILE HA 1 40 ILE MG 2.800 . 3.800 3.219 3.213 3.230 . 0 0 "[ . 1 . 2]" 2
218 1 3 SER HA 1 40 ILE MG 2.855 . 3.910 2.728 2.478 2.886 . 0 0 "[ . 1 . 2]" 2
219 1 2 PHE HB3 1 40 ILE MG 2.810 . 3.820 3.291 2.916 3.634 . 0 0 "[ . 1 . 2]" 2
220 1 4 GLY H 1 40 ILE MG 3.220 . 4.640 1.925 1.798 2.107 0.002 14 0 "[ . 1 . 2]" 2
221 1 42 GLN HA 1 47 PHE HA 2.625 . 3.450 2.212 2.093 2.671 . 0 0 "[ . 1 . 2]" 2
222 1 42 GLN HA 1 48 VAL H 3.315 . 4.830 3.185 3.025 3.441 . 0 0 "[ . 1 . 2]" 2
223 1 42 GLN HE22 1 42 GLN HG3 2.755 . 3.710 3.586 3.450 3.984 0.274 16 0 "[ . 1 . 2]" 2
224 1 42 GLN HG3 1 43 LYS HA 2.705 . 3.610 3.347 3.017 3.642 0.032 11 0 "[ . 1 . 2]" 2
225 1 103 LYS HA 1 103 LYS QG 2.675 . 3.550 2.342 2.068 2.591 . 0 0 "[ . 1 . 2]" 2
226 1 103 LYS H 1 103 LYS QG 3.010 . 4.220 3.385 2.591 4.212 . 0 0 "[ . 1 . 2]" 2
227 1 44 GLY HA2 1 45 ASP HA 3.300 . 4.800 4.515 4.452 4.581 . 0 0 "[ . 1 . 2]" 2
228 1 44 GLY HA3 1 45 ASP HA 3.300 . 4.800 4.397 4.361 4.457 . 0 0 "[ . 1 . 2]" 2
229 1 46 ASP HB2 1 47 PHE H 3.075 . 4.350 4.118 3.030 4.392 0.042 5 0 "[ . 1 . 2]" 2
230 1 47 PHE HB3 1 49 VAL H 3.250 . 4.700 4.380 4.242 4.486 . 0 0 "[ . 1 . 2]" 2
231 1 47 PHE HB3 1 62 PHE H 3.650 . 5.500 4.444 4.208 4.783 . 0 0 "[ . 1 . 2]" 2
232 1 47 PHE HB3 1 62 PHE HZ 3.650 . 5.500 3.309 3.198 3.473 . 0 0 "[ . 1 . 2]" 2
233 1 40 ILE MD 1 47 PHE HB3 2.800 . 3.800 3.070 2.790 3.478 . 0 0 "[ . 1 . 2]" 2
234 1 41 GLN H 1 48 VAL HB 2.755 . 3.710 3.442 3.255 3.661 . 0 0 "[ . 1 . 2]" 2
235 1 48 VAL HA 1 48 VAL QG 2.280 . 2.760 2.122 2.086 2.152 . 0 0 "[ . 1 . 2]" 2
236 1 6 TRP H 1 38 VAL HB 2.930 . 4.060 3.484 3.226 3.835 . 0 0 "[ . 1 . 2]" 2
237 1 6 TRP HB2 1 38 VAL HB 2.725 . 3.650 3.021 2.583 3.386 . 0 0 "[ . 1 . 2]" 2
238 1 6 TRP HD1 1 38 VAL HB 3.315 . 4.830 3.583 3.281 4.191 . 0 0 "[ . 1 . 2]" 2
239 1 71 THR MG 1 72 THR HA 3.075 . 4.350 4.095 3.899 4.332 . 0 0 "[ . 1 . 2]" 2
240 1 71 THR MG 1 75 GLY HA2 3.245 . 4.690 3.197 2.706 3.359 . 0 0 "[ . 1 . 2]" 2
241 1 71 THR MG 1 77 LYS QE 2.985 . 4.170 3.009 2.126 4.188 0.018 14 0 "[ . 1 . 2]" 2
242 1 49 VAL HA 1 50 THR HB 3.210 . 4.620 4.548 4.440 4.635 0.015 11 0 "[ . 1 . 2]" 2
243 1 39 GLU HB2 1 50 THR HB 2.530 . 3.260 2.578 2.223 2.907 . 0 0 "[ . 1 . 2]" 2
244 1 39 GLU HB3 1 50 THR HB 2.645 . 3.490 2.800 2.432 3.139 . 0 0 "[ . 1 . 2]" 2
245 1 50 THR H 1 50 THR MG 2.895 . 3.990 3.816 3.774 3.879 . 0 0 "[ . 1 . 2]" 2
246 1 5 THR MG 1 6 TRP H 3.160 . 4.520 3.800 3.673 3.927 . 0 0 "[ . 1 . 2]" 2
247 1 10 ALA MB 1 121 ARG H 2.550 . 3.300 2.261 1.773 2.767 0.027 6 0 "[ . 1 . 2]" 2
248 1 49 VAL H 1 61 SER HA 2.755 . 3.710 3.163 3.026 3.476 . 0 0 "[ . 1 . 2]" 2
249 1 52 LYS HB2 1 53 THR H 3.190 . 4.580 4.243 3.999 4.458 . 0 0 "[ . 1 . 2]" 2
250 1 54 PRO HA 1 56 GLN H 3.650 . 5.500 5.297 4.947 5.502 0.002 5 0 "[ . 1 . 2]" 2
251 1 9 TYR QE 1 121 ARG HB2 3.080 . 4.360 3.621 2.835 4.399 0.039 19 0 "[ . 1 . 2]" 2
252 1 19 LYS QB 1 21 LEU H 3.320 . 4.840 4.600 4.433 4.845 0.005 12 0 "[ . 1 . 2]" 2
253 1 53 THR HA 1 54 PRO HG2 3.245 . 4.690 4.593 4.434 4.855 0.165 18 0 "[ . 1 . 2]" 2
254 1 53 THR MG 1 54 PRO HD3 3.130 . 4.460 3.824 3.471 4.409 . 0 0 "[ . 1 . 2]" 2
255 1 53 THR HA 1 54 PRO HD3 2.775 . 3.750 2.037 1.858 2.701 . 0 0 "[ . 1 . 2]" 2
256 1 53 THR HA 1 54 PRO HD2 2.580 . 3.360 2.967 2.495 3.366 0.006 11 0 "[ . 1 . 2]" 2
257 1 55 ARG HB2 1 55 ARG QD 2.885 . 3.970 2.606 2.238 3.315 . 0 0 "[ . 1 . 2]" 2
258 1 55 ARG HB3 1 55 ARG QD 2.885 . 3.970 2.599 2.149 3.216 . 0 0 "[ . 1 . 2]" 2
259 1 57 THR H 1 57 THR HB 2.770 . 3.740 2.980 2.400 3.634 . 0 0 "[ . 1 . 2]" 2
260 1 58 VAL HB 1 59 THR H 3.130 . 4.460 2.782 2.415 4.056 . 0 0 "[ . 1 . 2]" 2
261 1 48 VAL QG 1 60 ASN H 2.805 . 3.810 3.815 3.608 3.929 0.119 16 0 "[ . 1 . 2]" 2
262 1 58 VAL HA 1 59 THR HB 3.590 . 5.380 4.700 4.246 4.999 . 0 0 "[ . 1 . 2]" 2
263 1 48 VAL QG 1 59 THR HB 3.095 . 4.390 4.220 4.056 4.406 0.016 2 0 "[ . 1 . 2]" 2
264 1 60 ASN HB2 1 62 PHE QD 3.650 . 5.500 4.621 4.327 4.997 . 0 0 "[ . 1 . 2]" 2
265 1 60 ASN HB3 1 62 PHE QD 3.650 . 5.500 3.459 3.206 3.709 . 0 0 "[ . 1 . 2]" 2
266 1 60 ASN HB3 1 70 ILE HB 3.650 . 5.500 2.958 2.596 3.490 . 0 0 "[ . 1 . 2]" 2
267 1 60 ASN HB2 1 70 ILE HB 3.650 . 5.500 4.303 4.160 4.488 . 0 0 "[ . 1 . 2]" 2
268 1 49 VAL H 1 61 SER QB 3.210 . 4.620 4.621 4.290 4.716 0.096 18 0 "[ . 1 . 2]" 2
269 1 62 PHE QD 1 63 THR HA 3.650 . 5.500 3.687 3.390 3.915 . 0 0 "[ . 1 . 2]" 2
270 1 47 PHE QD 1 63 THR HA 3.255 . 4.710 3.848 3.526 4.099 . 0 0 "[ . 1 . 2]" 2
271 1 63 THR HA 1 64 LEU H 2.425 . 3.050 2.173 2.138 2.210 . 0 0 "[ . 1 . 2]" 2
272 1 46 ASP H 1 63 THR HA 3.650 . 5.500 4.374 4.246 4.504 . 0 0 "[ . 1 . 2]" 2
273 1 63 THR HB 1 66 LYS HB2 2.720 . 3.640 2.045 1.908 2.360 . 0 0 "[ . 1 . 2]" 2
274 1 63 THR HB 1 66 LYS QE 3.650 . 5.500 3.487 2.044 4.919 . 0 0 "[ . 1 . 2]" 2
275 1 62 PHE HA 1 63 THR HB 3.420 . 5.040 4.867 4.756 4.997 . 0 0 "[ . 1 . 2]" 2
276 1 45 ASP HB3 1 63 THR MG 2.785 . 3.770 2.514 2.137 3.600 . 0 0 "[ . 1 . 2]" 2
277 1 45 ASP HB2 1 63 THR MG 2.785 . 3.770 2.523 2.141 2.738 . 0 0 "[ . 1 . 2]" 2
278 1 63 THR MG 1 64 LEU HG 3.415 . 5.030 4.416 4.218 4.684 . 0 0 "[ . 1 . 2]" 2
279 1 47 PHE QD 1 63 THR MG 3.580 . 5.360 4.810 4.509 5.043 . 0 0 "[ . 1 . 2]" 2
280 1 64 LEU HB2 1 83 HIS HA 3.650 . 5.500 4.603 4.179 5.009 . 0 0 "[ . 1 . 2]" 2
281 1 45 ASP HB3 1 64 LEU HB2 3.240 . 4.680 2.401 2.093 2.912 . 0 0 "[ . 1 . 2]" 2
282 1 45 ASP HB2 1 64 LEU HB2 3.240 . 4.680 3.940 2.746 4.328 . 0 0 "[ . 1 . 2]" 2
283 1 64 LEU HB3 1 64 LEU MD2 2.710 . 3.620 2.422 2.371 2.458 . 0 0 "[ . 1 . 2]" 2
284 1 64 LEU HB3 1 64 LEU MD1 2.600 . 3.400 2.272 2.206 2.346 . 0 0 "[ . 1 . 2]" 2
285 1 64 LEU HB2 1 64 LEU MD1 2.690 . 3.580 2.417 2.360 2.484 . 0 0 "[ . 1 . 2]" 2
286 1 64 LEU HG 1 84 LEU QD 3.650 . 5.500 5.095 4.565 5.596 0.096 2 0 "[ . 1 . 2]" 2
287 1 47 PHE QE 1 64 LEU HG 2.960 . 4.120 2.312 1.965 2.600 . 0 0 "[ . 1 . 2]" 2
288 1 64 LEU MD2 1 84 LEU H 2.805 . 3.810 2.630 2.130 3.151 . 0 0 "[ . 1 . 2]" 2
289 1 64 LEU MD2 1 84 LEU HA 3.325 . 4.850 3.670 3.395 4.027 . 0 0 "[ . 1 . 2]" 2
290 1 64 LEU HA 1 64 LEU MD2 2.505 . 3.210 1.974 1.884 2.023 . 0 0 "[ . 1 . 2]" 2
291 1 47 PHE QE 1 64 LEU MD1 2.605 . 3.410 2.201 2.020 2.366 . 0 0 "[ . 1 . 2]" 2
292 1 64 LEU HA 1 64 LEU MD1 3.050 . 4.300 3.787 3.748 3.822 . 0 0 "[ . 1 . 2]" 2
293 1 63 THR HB 1 66 LYS HB3 2.720 . 3.640 3.257 2.401 3.537 . 0 0 "[ . 1 . 2]" 2
294 1 66 LYS H 1 66 LYS HB2 2.805 . 3.810 2.583 2.457 2.674 . 0 0 "[ . 1 . 2]" 2
295 1 66 LYS H 1 66 LYS HG3 3.035 . 4.270 3.681 3.178 4.261 . 0 0 "[ . 1 . 2]" 2
296 1 66 LYS HA 1 66 LYS HG3 2.890 . 3.980 2.668 2.223 2.890 . 0 0 "[ . 1 . 2]" 2
297 1 66 LYS HA 1 66 LYS HG2 2.810 . 3.820 2.661 2.323 3.578 . 0 0 "[ . 1 . 2]" 2
298 1 63 THR HB 1 66 LYS HG3 3.650 . 5.500 4.151 3.374 4.965 . 0 0 "[ . 1 . 2]" 2
299 1 63 THR HB 1 66 LYS HG2 3.585 . 5.370 4.561 3.751 5.085 . 0 0 "[ . 1 . 2]" 2
300 1 66 LYS QE 1 66 LYS HG3 2.785 . 3.770 2.904 2.274 3.512 . 0 0 "[ . 1 . 2]" 2
301 1 66 LYS QE 1 66 LYS HG2 2.800 . 3.800 2.682 2.288 3.312 . 0 0 "[ . 1 . 2]" 2
302 1 107 MET HA 1 107 MET QG 2.620 . 3.440 2.459 2.282 2.642 . 0 0 "[ . 1 . 2]" 2
303 1 67 GLU QB 1 68 ALA H 2.950 . 4.100 3.748 3.574 3.861 . 0 0 "[ . 1 . 2]" 2
304 1 67 GLU HG3 1 80 CYS H 3.585 . 5.370 4.479 3.936 5.021 . 0 0 "[ . 1 . 2]" 2
305 1 62 PHE QD 1 68 ALA MB 3.050 . 4.300 3.807 3.630 3.966 . 0 0 "[ . 1 . 2]" 2
306 1 68 ALA MB 1 79 LYS HA 3.605 . 5.410 4.845 4.355 5.028 . 0 0 "[ . 1 . 2]" 2
307 1 62 PHE HA 1 68 ALA MB 2.455 . 3.110 2.053 1.914 2.227 . 0 0 "[ . 1 . 2]" 2
308 1 67 GLU HA 1 68 ALA MB 2.995 . 4.190 3.955 3.894 4.011 . 0 0 "[ . 1 . 2]" 2
309 1 62 PHE HB2 1 68 ALA MB 2.670 . 3.540 2.568 2.351 2.734 . 0 0 "[ . 1 . 2]" 2
310 1 62 PHE HB3 1 68 ALA MB 2.570 . 3.340 2.126 2.008 2.299 . 0 0 "[ . 1 . 2]" 2
311 1 68 ALA MB 1 70 ILE MG 2.605 . 3.410 2.868 2.117 3.118 . 0 0 "[ . 1 . 2]" 2
312 1 68 ALA MB 1 70 ILE HG13 3.505 . 5.210 4.640 3.772 4.937 . 0 0 "[ . 1 . 2]" 2
313 1 70 ILE HB 1 80 CYS H 3.650 . 5.500 5.588 5.538 5.648 0.148 3 0 "[ . 1 . 2]" 2
314 1 70 ILE HB 1 70 ILE MD 2.720 . 3.640 2.242 2.159 2.277 . 0 0 "[ . 1 . 2]" 2
315 1 70 ILE H 1 70 ILE HG13 3.160 . 4.520 1.907 1.733 2.030 0.067 7 0 "[ . 1 . 2]" 2
316 1 70 ILE MD 1 71 THR H 2.750 . 3.700 3.317 3.207 3.442 . 0 0 "[ . 1 . 2]" 2
317 1 70 ILE H 1 70 ILE MD 2.970 . 4.140 3.078 2.751 3.258 . 0 0 "[ . 1 . 2]" 2
318 1 70 ILE HA 1 70 ILE MD 2.855 . 3.910 3.748 3.705 3.802 . 0 0 "[ . 1 . 2]" 2
319 1 70 ILE MD 1 72 THR HA 3.020 . 4.240 4.255 4.081 4.366 0.126 5 0 "[ . 1 . 2]" 2
320 1 70 ILE MD 1 71 THR HB 3.475 . 5.150 5.190 5.129 5.257 0.107 19 0 "[ . 1 . 2]" 2
321 1 61 SER H 1 70 ILE MG 2.955 . 4.110 2.116 2.057 2.180 . 0 0 "[ . 1 . 2]" 2
322 1 62 PHE QD 1 70 ILE MG 2.980 . 4.160 2.700 2.207 3.167 . 0 0 "[ . 1 . 2]" 2
323 1 70 ILE MG 1 79 LYS HA 3.435 . 5.070 4.485 4.128 4.791 . 0 0 "[ . 1 . 2]" 2
324 1 60 ASN HA 1 70 ILE MG 3.095 . 4.390 2.545 2.409 2.658 . 0 0 "[ . 1 . 2]" 2
325 1 62 PHE HA 1 70 ILE MG 3.130 . 4.460 4.139 3.982 4.344 . 0 0 "[ . 1 . 2]" 2
326 1 69 ASP HA 1 70 ILE MG 3.320 . 4.840 4.054 3.929 4.288 . 0 0 "[ . 1 . 2]" 2
327 1 62 PHE HB3 1 70 ILE MG 3.080 . 4.360 3.031 2.894 3.183 . 0 0 "[ . 1 . 2]" 2
328 1 70 ILE MG 1 80 CYS QB 2.785 . 3.770 3.687 3.113 3.907 0.137 4 0 "[ . 1 . 2]" 2
329 1 70 ILE HA 1 71 THR HB 3.295 . 4.790 4.791 4.685 4.878 0.088 3 0 "[ . 1 . 2]" 2
330 1 23 LEU MD1 1 74 ASP HB2 3.545 . 5.290 4.517 3.939 5.494 0.204 1 0 "[ . 1 . 2]" 2
331 1 72 THR MG 1 74 ASP HB2 2.945 . 4.090 3.624 2.281 4.229 0.139 19 0 "[ . 1 . 2]" 2
332 1 23 LEU MD2 1 74 ASP HB3 3.545 . 5.290 3.722 2.390 4.401 . 0 0 "[ . 1 . 2]" 2
333 1 72 THR MG 1 74 ASP HB3 2.945 . 4.090 2.771 2.012 4.090 . 0 0 "[ . 1 . 2]" 2
334 1 105 ASN HB2 1 124 ARG HB2 3.300 . 4.800 4.071 2.752 4.855 0.055 6 0 "[ . 1 . 2]" 2
335 1 77 LYS HA 1 77 LYS HG2 2.915 . 4.030 2.987 2.533 3.953 . 0 0 "[ . 1 . 2]" 2
336 1 77 LYS HA 1 77 LYS HG3 2.915 . 4.030 3.434 2.198 3.780 . 0 0 "[ . 1 . 2]" 2
337 1 77 LYS QE 1 77 LYS HG2 2.770 . 3.740 2.575 2.349 3.295 . 0 0 "[ . 1 . 2]" 2
338 1 77 LYS QE 1 77 LYS HG3 2.770 . 3.740 2.508 2.188 3.309 . 0 0 "[ . 1 . 2]" 2
339 1 78 LEU HB2 1 78 LEU MD1 2.845 . 3.890 2.206 2.096 2.316 . 0 0 "[ . 1 . 2]" 2
340 1 78 LEU HB3 1 78 LEU MD1 2.845 . 3.890 2.593 2.397 3.089 . 0 0 "[ . 1 . 2]" 2
341 1 78 LEU HB3 1 78 LEU MD2 2.845 . 3.890 2.246 2.131 2.346 . 0 0 "[ . 1 . 2]" 2
342 1 78 LEU HB2 1 78 LEU MD2 2.845 . 3.890 3.125 2.728 3.204 . 0 0 "[ . 1 . 2]" 2
343 1 77 LYS HA 1 78 LEU HG 3.650 . 5.500 3.676 3.363 3.972 . 0 0 "[ . 1 . 2]" 2
344 1 78 LEU HA 1 78 LEU MD1 3.240 . 4.680 3.951 3.669 4.044 . 0 0 "[ . 1 . 2]" 2
345 1 76 LYS H 1 78 LEU MD1 3.650 . 5.500 4.657 3.755 4.914 . 0 0 "[ . 1 . 2]" 2
346 1 78 LEU MD1 1 79 LYS H 3.485 . 5.170 4.798 4.550 4.957 . 0 0 "[ . 1 . 2]" 2
347 1 78 LEU HA 1 78 LEU MD2 3.240 . 4.680 2.496 2.182 3.483 . 0 0 "[ . 1 . 2]" 2
348 1 79 LYS QB 1 80 CYS H 2.545 . 3.290 3.322 3.188 3.406 0.116 8 0 "[ . 1 . 2]" 2
349 1 69 ASP HA 1 79 LYS QB 2.970 . 4.140 3.279 2.247 4.020 . 0 0 "[ . 1 . 2]" 2
350 1 79 LYS HA 1 79 LYS QD 3.095 . 4.390 3.991 2.461 4.411 0.021 4 0 "[ . 1 . 2]" 2
351 1 123 LYS HA 1 123 LYS QD 3.105 . 4.410 4.002 2.858 4.479 0.069 2 0 "[ . 1 . 2]" 2
352 1 9 TYR QE 1 123 LYS QD 3.315 . 4.830 4.035 3.409 4.557 . 0 0 "[ . 1 . 2]" 2
353 1 9 TYR QD 1 123 LYS QD 3.435 . 5.070 4.495 3.885 4.975 . 0 0 "[ . 1 . 2]" 2
354 1 79 LYS H 1 79 LYS QD 3.235 . 4.670 4.264 3.739 4.753 0.083 16 0 "[ . 1 . 2]" 2
355 1 123 LYS H 1 123 LYS QD 3.200 . 4.600 4.076 3.683 4.668 0.068 5 0 "[ . 1 . 2]" 2
356 1 69 ASP HA 1 79 LYS QD 3.420 . 5.040 4.239 2.375 5.095 0.055 3 0 "[ . 1 . 2]" 2
357 1 80 CYS QB 1 82 VAL H 3.650 . 5.500 3.769 2.902 4.896 . 0 0 "[ . 1 . 2]" 2
358 1 80 CYS QB 1 81 THR H 3.250 . 4.700 3.670 3.439 3.887 . 0 0 "[ . 1 . 2]" 2
359 1 70 ILE HG12 1 80 CYS QB 3.255 . 4.710 2.735 2.284 3.284 . 0 0 "[ . 1 . 2]" 2
360 1 70 ILE HG13 1 80 CYS QB 2.820 . 3.840 3.468 2.977 3.881 0.041 18 0 "[ . 1 . 2]" 2
361 1 70 ILE MD 1 80 CYS QB 2.880 . 3.960 3.084 2.668 3.606 . 0 0 "[ . 1 . 2]" 2
362 1 81 THR H 1 81 THR HB 2.945 . 4.090 2.836 2.678 3.343 . 0 0 "[ . 1 . 2]" 2
363 1 81 THR HA 1 81 THR MG 2.470 . 3.140 2.579 2.130 3.211 0.071 2 0 "[ . 1 . 2]" 2
364 1 62 PHE QD 1 82 VAL HB 3.140 . 4.480 2.939 2.386 4.654 0.174 2 0 "[ . 1 . 2]" 2
365 1 64 LEU MD2 1 82 VAL HB 3.060 . 4.320 3.533 2.860 4.420 0.100 2 0 "[ . 1 . 2]" 2
366 1 82 VAL HA 1 82 VAL MG2 2.740 . 3.680 2.549 2.308 2.737 . 0 0 "[ . 1 . 2]" 2
367 1 83 HIS HB3 1 90 VAL QG 3.650 . 5.500 5.360 4.477 5.581 0.081 13 0 "[ . 1 . 2]" 2
368 1 83 HIS HB2 1 85 ALA MB 3.650 . 5.500 4.355 4.212 4.560 . 0 0 "[ . 1 . 2]" 2
369 1 83 HIS HB3 1 85 ALA MB 3.650 . 5.500 5.475 5.345 5.576 0.076 3 0 "[ . 1 . 2]" 2
370 1 64 LEU HB3 1 83 HIS HB2 3.490 . 5.180 4.472 3.945 5.017 . 0 0 "[ . 1 . 2]" 2
371 1 83 HIS HB2 1 84 LEU H 2.675 . 3.550 2.762 2.512 2.888 . 0 0 "[ . 1 . 2]" 2
372 1 83 HIS HB3 1 84 LEU H 3.060 . 4.320 3.919 3.671 4.046 . 0 0 "[ . 1 . 2]" 2
373 1 84 LEU HB3 1 85 ALA H 3.190 . 4.580 4.202 3.831 4.410 . 0 0 "[ . 1 . 2]" 2
374 1 84 LEU HB2 1 85 ALA H 3.460 . 5.120 4.317 4.086 4.446 . 0 0 "[ . 1 . 2]" 2
375 1 64 LEU MD2 1 84 LEU HB3 3.590 . 5.380 3.702 2.935 4.262 . 0 0 "[ . 1 . 2]" 2
376 1 64 LEU MD2 1 84 LEU HB2 2.980 . 4.160 2.653 2.100 3.243 . 0 0 "[ . 1 . 2]" 2
377 1 84 LEU HB3 1 84 LEU QD 2.530 . 3.260 2.182 2.070 2.264 . 0 0 "[ . 1 . 2]" 2
378 1 84 LEU HB2 1 84 LEU QD 2.520 . 3.240 2.194 2.084 2.419 . 0 0 "[ . 1 . 2]" 2
379 1 84 LEU HB2 1 89 LEU QD 3.210 . 3.740 2.551 2.198 2.891 . 0 0 "[ . 1 . 2]" 2
380 1 55 ARG QG 1 56 GLN H 3.090 . 4.380 3.818 1.829 4.350 . 0 0 "[ . 1 . 2]" 2
381 1 85 ALA MB 1 86 ASN HB3 3.445 . 5.090 4.957 3.097 5.127 0.037 6 0 "[ . 1 . 2]" 2
382 1 85 ALA MB 1 86 ASN HB2 3.045 . 4.290 3.752 3.591 3.908 . 0 0 "[ . 1 . 2]" 2
383 1 85 ALA MB 1 86 ASN HA 3.305 . 4.810 4.727 4.368 4.861 0.051 6 0 "[ . 1 . 2]" 2
384 1 84 LEU HA 1 85 ALA MB 3.045 . 4.290 3.973 3.824 4.080 . 0 0 "[ . 1 . 2]" 2
385 1 84 LEU H 1 85 ALA MB 3.570 . 5.340 4.795 4.705 4.854 . 0 0 "[ . 1 . 2]" 2
386 1 88 LYS QG 1 89 LEU H 3.275 . 4.750 3.728 2.246 4.777 0.027 12 0 "[ . 1 . 2]" 2
387 1 89 LEU HB3 1 89 LEU QD 2.880 . 3.960 2.376 2.289 2.441 . 0 0 "[ . 1 . 2]" 2
388 1 89 LEU H 1 89 LEU HB2 2.870 . 3.940 2.379 2.185 2.509 . 0 0 "[ . 1 . 2]" 2
389 1 89 LEU H 1 89 LEU HB3 2.835 . 3.870 2.957 2.727 3.213 . 0 0 "[ . 1 . 2]" 2
390 1 83 HIS HA 1 89 LEU QD 3.650 . 4.570 3.554 3.316 3.881 . 0 0 "[ . 1 . 2]" 2
391 1 84 LEU HA 1 89 LEU QD 3.445 . 4.020 2.305 2.020 2.490 . 0 0 "[ . 1 . 2]" 2
392 1 62 PHE QE 1 89 LEU QD 3.045 . 4.290 2.366 2.112 2.579 . 0 0 "[ . 1 . 2]" 2
393 1 47 PHE QE 1 89 LEU QD 2.940 . 3.540 2.820 2.470 3.286 . 0 0 "[ . 1 . 2]" 2
394 1 89 LEU QD 1 90 VAL H 3.240 . 3.990 2.836 2.186 3.514 . 0 0 "[ . 1 . 2]" 2
395 1 89 LEU H 1 89 LEU QD 3.590 . 4.110 3.474 3.144 3.655 . 0 0 "[ . 1 . 2]" 2
396 1 89 LEU HA 1 89 LEU QD 3.040 . 3.550 1.917 1.829 2.138 . 0 0 "[ . 1 . 2]" 2
397 1 85 ALA H 1 90 VAL QG 2.620 . 3.440 3.206 2.809 3.583 0.143 13 0 "[ . 1 . 2]" 2
398 1 90 VAL HA 1 90 VAL QG 2.405 . 3.010 2.138 2.066 2.455 . 0 0 "[ . 1 . 2]" 2
399 1 121 ARG HA 1 122 SER H 2.465 . 3.130 2.172 2.105 2.312 . 0 0 "[ . 1 . 2]" 2
400 1 92 LYS HB3 1 93 SER H 3.020 . 4.240 3.956 3.761 4.142 . 0 0 "[ . 1 . 2]" 2
401 1 92 LYS HB2 1 93 SER H 3.020 . 4.240 4.054 3.974 4.271 0.031 20 0 "[ . 1 . 2]" 2
402 1 92 LYS H 1 92 LYS QG 3.030 . 4.260 4.020 3.943 4.112 . 0 0 "[ . 1 . 2]" 2
403 1 123 LYS H 1 123 LYS QG 2.875 . 3.950 2.210 1.916 3.070 . 0 0 "[ . 1 . 2]" 2
404 1 92 LYS HA 1 92 LYS QG 2.655 . 3.510 2.436 2.287 2.596 . 0 0 "[ . 1 . 2]" 2
405 1 92 LYS QG 1 97 SER HA 3.010 . 4.220 2.741 2.334 3.022 . 0 0 "[ . 1 . 2]" 2
406 1 29 LYS H 1 29 LYS QD 2.955 . 4.110 3.521 2.117 4.128 0.018 10 0 "[ . 1 . 2]" 2
407 1 103 LYS H 1 103 LYS QD 3.275 . 4.750 4.296 3.702 4.728 . 0 0 "[ . 1 . 2]" 2
408 1 92 LYS HA 1 93 SER HB3 3.650 . 5.500 5.327 4.444 5.549 0.049 15 0 "[ . 1 . 2]" 2
409 1 92 LYS HA 1 93 SER HB2 3.650 . 5.500 4.999 4.425 5.497 . 0 0 "[ . 1 . 2]" 2
410 1 93 SER HB2 1 113 PHE HZ 3.650 . 5.500 4.713 4.003 5.465 . 0 0 "[ . 1 . 2]" 2
411 1 94 GLU HA 1 94 GLU HG3 2.820 . 3.840 3.256 2.505 4.139 0.299 20 0 "[ . 1 . 2]" 2
412 1 94 GLU HA 1 94 GLU HG2 2.820 . 3.840 3.238 2.537 4.044 0.204 13 0 "[ . 1 . 2]" 2
413 1 95 LYS HB3 1 96 PHE QE 3.065 . 4.330 2.927 2.686 3.478 . 0 0 "[ . 1 . 2]" 2
414 1 95 LYS HB2 1 96 PHE QE 3.065 . 4.330 4.065 3.298 4.221 . 0 0 "[ . 1 . 2]" 2
415 1 95 LYS QD 1 96 PHE QE 2.925 . 4.050 3.097 2.794 3.796 . 0 0 "[ . 1 . 2]" 2
416 1 95 LYS QD 1 96 PHE HZ 3.210 . 4.620 2.690 2.290 3.683 . 0 0 "[ . 1 . 2]" 2
417 1 95 LYS HA 1 95 LYS QD 2.995 . 4.190 3.958 2.983 4.187 . 0 0 "[ . 1 . 2]" 2
418 1 112 THR MG 1 113 PHE HB3 3.650 . 5.500 5.556 5.508 5.606 0.106 7 0 "[ . 1 . 2]" 2
419 1 17 PHE QE 1 113 PHE HB3 2.940 . 4.080 2.381 2.072 3.393 . 0 0 "[ . 1 . 2]" 2
420 1 97 SER HA 1 113 PHE QE 3.650 . 5.500 5.076 4.577 5.428 . 0 0 "[ . 1 . 2]" 2
421 1 97 SER QB 1 112 THR H 3.650 . 5.500 5.313 4.861 5.531 0.031 5 0 "[ . 1 . 2]" 2
422 1 48 VAL QG 1 61 SER QB 2.505 . 3.210 2.350 2.078 2.611 . 0 0 "[ . 1 . 2]" 2
423 1 92 LYS HB3 1 97 SER QB 3.235 . 4.670 4.476 4.014 4.727 0.057 13 0 "[ . 1 . 2]" 2
424 1 92 LYS HB2 1 97 SER QB 3.235 . 4.670 3.336 2.624 3.736 . 0 0 "[ . 1 . 2]" 2
425 1 91 CYS H 1 98 HIS QB 3.650 . 4.140 3.259 2.788 3.594 . 0 0 "[ . 1 . 2]" 2
426 1 98 HIS QB 1 111 ILE HG12 3.525 . 5.250 4.083 3.857 4.303 . 0 0 "[ . 1 . 2]" 2
427 1 101 GLU HA 1 102 VAL HB 3.190 . 4.580 4.526 4.401 4.595 0.015 20 0 "[ . 1 . 2]" 2
428 1 2 PHE QD 1 102 VAL HB 3.650 . 5.500 4.537 4.243 4.838 . 0 0 "[ . 1 . 2]" 2
429 1 6 TRP HZ2 1 102 VAL HB 3.650 . 5.500 5.432 5.089 5.571 0.071 16 0 "[ . 1 . 2]" 2
430 1 102 VAL HB 1 103 LYS H 3.100 . 4.400 4.315 4.234 4.409 0.009 14 0 "[ . 1 . 2]" 2
431 1 6 TRP HH2 1 102 VAL MG2 2.780 . 3.760 3.112 2.637 3.515 . 0 0 "[ . 1 . 2]" 2
432 1 76 LYS HA 1 76 LYS QG 2.620 . 3.440 2.334 2.058 2.997 . 0 0 "[ . 1 . 2]" 2
433 1 6 TRP HZ3 1 106 GLU HA 3.010 . 4.220 3.440 3.007 3.913 . 0 0 "[ . 1 . 2]" 2
434 1 6 TRP HE3 1 106 GLU HA 3.090 . 4.380 3.617 3.100 4.034 . 0 0 "[ . 1 . 2]" 2
435 1 106 GLU H 1 106 GLU HB3 2.985 . 4.170 3.730 3.652 3.796 . 0 0 "[ . 1 . 2]" 2
436 1 103 LYS H 1 106 GLU HB3 3.395 . 4.990 4.620 4.293 4.873 . 0 0 "[ . 1 . 2]" 2
437 1 106 GLU H 1 106 GLU HG2 3.255 . 4.710 4.271 3.771 4.633 . 0 0 "[ . 1 . 2]" 2
438 1 106 GLU H 1 106 GLU HG3 3.255 . 4.710 3.234 2.834 3.682 . 0 0 "[ . 1 . 2]" 2
439 1 106 GLU HG3 1 123 LYS HA 3.650 . 5.500 3.887 2.919 4.550 . 0 0 "[ . 1 . 2]" 2
440 1 106 GLU HG2 1 123 LYS HA 3.650 . 5.500 2.918 2.169 3.559 . 0 0 "[ . 1 . 2]" 2
441 1 106 GLU HA 1 106 GLU HG3 3.020 . 4.240 2.869 2.531 3.274 . 0 0 "[ . 1 . 2]" 2
442 1 106 GLU HA 1 106 GLU HG2 3.020 . 4.240 2.577 2.339 2.799 . 0 0 "[ . 1 . 2]" 2
443 1 103 LYS H 1 107 MET QB 3.190 . 4.580 4.388 4.161 4.587 0.007 17 0 "[ . 1 . 2]" 2
444 1 59 THR HA 1 59 THR MG 2.595 . 3.390 2.419 2.146 3.212 . 0 0 "[ . 1 . 2]" 2
445 1 108 VAL HA 1 108 VAL MG2 2.835 . 3.870 2.830 2.394 3.223 . 0 0 "[ . 1 . 2]" 2
446 1 108 VAL HA 1 108 VAL MG1 2.835 . 3.870 2.518 2.165 3.213 . 0 0 "[ . 1 . 2]" 2
447 1 117 THR HA 1 117 THR MG 2.585 . 3.370 2.490 2.205 3.130 . 0 0 "[ . 1 . 2]" 2
448 1 110 THR MG 1 111 ILE H 2.625 . 3.450 2.987 2.662 3.360 . 0 0 "[ . 1 . 2]" 2
449 1 49 VAL MG2 1 50 THR H 3.225 . 4.650 4.094 3.878 4.208 . 0 0 "[ . 1 . 2]" 2
450 1 111 ILE H 1 111 ILE HB 2.925 . 4.050 2.957 2.888 3.081 . 0 0 "[ . 1 . 2]" 2
451 1 111 ILE HB 1 113 PHE QD 3.445 . 5.090 3.746 3.426 4.179 . 0 0 "[ . 1 . 2]" 2
452 1 111 ILE HB 1 118 LEU HG 3.340 . 4.880 4.725 4.407 4.933 0.053 11 0 "[ . 1 . 2]" 2
453 1 111 ILE HB 1 111 ILE MD 2.715 . 3.630 2.340 2.273 2.399 . 0 0 "[ . 1 . 2]" 2
454 1 111 ILE H 1 111 ILE HG13 2.970 . 4.140 2.029 1.815 2.136 . 0 0 "[ . 1 . 2]" 2
455 1 111 ILE HA 1 111 ILE HG13 2.830 . 3.860 3.299 3.209 3.396 . 0 0 "[ . 1 . 2]" 2
456 1 110 THR HA 1 111 ILE HG13 2.990 . 4.180 3.372 3.170 3.485 . 0 0 "[ . 1 . 2]" 2
457 1 110 THR HA 1 111 ILE HG12 3.650 . 5.500 4.522 4.285 4.746 . 0 0 "[ . 1 . 2]" 2
458 1 110 THR HB 1 111 ILE HG13 3.650 . 5.500 5.485 5.344 5.562 0.062 18 0 "[ . 1 . 2]" 2
459 1 111 ILE H 1 111 ILE MD 3.095 . 4.390 3.593 3.362 3.752 . 0 0 "[ . 1 . 2]" 2
460 1 17 PHE QE 1 111 ILE MD 3.315 . 4.830 3.732 3.165 4.409 . 0 0 "[ . 1 . 2]" 2
461 1 111 ILE HA 1 111 ILE MD 2.940 . 4.080 4.026 3.993 4.065 . 0 0 "[ . 1 . 2]" 2
462 1 110 THR HA 1 111 ILE MD 3.345 . 4.890 4.790 4.587 4.925 0.035 13 0 "[ . 1 . 2]" 2
463 1 111 ILE MD 1 120 ARG HD2 3.595 . 5.390 4.326 2.523 5.422 0.032 19 0 "[ . 1 . 2]" 2
464 1 111 ILE MD 1 120 ARG HD3 3.595 . 5.390 3.297 2.136 4.860 . 0 0 "[ . 1 . 2]" 2
465 1 111 ILE MD 1 118 LEU HG 2.940 . 4.080 3.527 3.186 4.002 . 0 0 "[ . 1 . 2]" 2
466 1 98 HIS HD2 1 111 ILE MD 3.235 . 4.670 4.640 4.517 4.731 0.061 6 0 "[ . 1 . 2]" 2
467 1 99 GLU H 1 111 ILE MG 3.650 . 5.500 3.805 3.531 4.115 . 0 0 "[ . 1 . 2]" 2
468 1 111 ILE MG 1 113 PHE QE 2.715 . 3.630 2.600 2.045 3.248 . 0 0 "[ . 1 . 2]" 2
469 1 111 ILE MG 1 112 THR HA 3.300 . 4.800 4.020 3.893 4.129 . 0 0 "[ . 1 . 2]" 2
470 1 111 ILE HA 1 111 ILE MG 2.605 . 3.410 2.206 2.138 2.249 . 0 0 "[ . 1 . 2]" 2
471 1 111 ILE MG 1 113 PHE HA 3.490 . 5.180 4.998 4.801 5.150 . 0 0 "[ . 1 . 2]" 2
472 1 111 ILE MG 1 112 THR HB 3.270 . 4.740 4.535 4.399 4.736 . 0 0 "[ . 1 . 2]" 2
473 1 111 ILE MG 1 113 PHE HB3 3.650 . 5.500 5.091 4.846 5.306 . 0 0 "[ . 1 . 2]" 2
474 1 98 HIS QB 1 111 ILE MG 3.095 . 4.390 2.446 2.238 2.624 . 0 0 "[ . 1 . 2]" 2
475 1 111 ILE MD 1 111 ILE MG 2.515 . 3.230 2.081 1.911 2.219 . 0 0 "[ . 1 . 2]" 2
476 1 98 HIS HD2 1 111 ILE MG 3.650 . 5.500 4.027 3.768 4.315 . 0 0 "[ . 1 . 2]" 2
477 1 17 PHE QE 1 112 THR HA 3.495 . 5.190 4.743 2.646 5.218 0.028 19 0 "[ . 1 . 2]" 2
478 1 59 THR H 1 59 THR MG 2.955 . 4.110 3.647 2.244 3.930 . 0 0 "[ . 1 . 2]" 2
479 1 112 THR H 1 112 THR MG 2.935 . 4.070 3.970 3.904 4.006 . 0 0 "[ . 1 . 2]" 2
480 1 112 THR MG 1 118 LEU H 3.235 . 4.670 4.417 4.243 4.589 . 0 0 "[ . 1 . 2]" 2
481 1 17 PHE QE 1 112 THR MG 3.650 . 5.500 5.337 4.299 5.572 0.072 19 0 "[ . 1 . 2]" 2
482 1 112 THR HA 1 112 THR MG 2.585 . 3.370 2.346 2.296 2.423 . 0 0 "[ . 1 . 2]" 2
483 1 17 PHE QE 1 113 PHE HB2 2.905 . 4.010 2.073 1.885 2.416 . 0 0 "[ . 1 . 2]" 2
484 1 17 PHE QD 1 113 PHE HB2 3.065 . 4.330 4.191 4.070 4.414 0.084 12 0 "[ . 1 . 2]" 2
485 1 21 LEU HG 1 113 PHE HB2 3.650 . 5.500 5.160 4.400 5.527 0.027 6 0 "[ . 1 . 2]" 2
486 1 112 THR MG 1 113 PHE HB2 3.650 . 5.500 5.064 4.984 5.190 . 0 0 "[ . 1 . 2]" 2
487 1 112 THR HA 1 113 PHE HB2 3.650 . 5.500 4.411 4.281 4.635 . 0 0 "[ . 1 . 2]" 2
488 1 20 ALA HA 1 114 GLY QA 3.650 . 5.500 4.075 3.651 4.328 . 0 0 "[ . 1 . 2]" 2
489 1 113 PHE HA 1 114 GLY QA 2.965 . 4.130 3.989 3.971 4.008 . 0 0 "[ . 1 . 2]" 2
490 1 17 PHE QD 1 114 GLY QA 3.260 . 4.720 4.199 4.008 4.815 0.095 12 0 "[ . 1 . 2]" 2
491 1 17 PHE QE 1 114 GLY QA 3.460 . 5.120 3.830 3.450 4.611 . 0 0 "[ . 1 . 2]" 2
492 1 96 PHE QE 1 114 GLY QA 3.650 . 5.500 3.837 3.335 4.458 . 0 0 "[ . 1 . 2]" 2
493 1 111 ILE H 1 118 LEU HB2 3.650 . 5.500 5.426 4.942 5.593 0.093 12 0 "[ . 1 . 2]" 2
494 1 118 LEU HB3 1 119 ILE H 3.650 . 5.500 4.365 4.214 4.467 . 0 0 "[ . 1 . 2]" 2
495 1 17 PHE QD 1 118 LEU HB2 3.010 . 4.220 2.829 1.779 3.279 0.021 12 0 "[ . 1 . 2]" 2
496 1 117 THR HA 1 118 LEU HB3 3.650 . 5.500 4.662 4.599 4.793 . 0 0 "[ . 1 . 2]" 2
497 1 118 LEU HB3 1 119 ILE HA 3.650 . 5.500 5.003 4.834 5.150 . 0 0 "[ . 1 . 2]" 2
498 1 117 THR HA 1 118 LEU HB2 3.375 . 4.950 4.858 4.639 4.958 0.008 6 0 "[ . 1 . 2]" 2
499 1 17 PHE HB2 1 118 LEU HB3 3.650 . 5.500 4.337 4.058 5.013 . 0 0 "[ . 1 . 2]" 2
500 1 111 ILE H 1 118 LEU HG 3.640 . 5.480 4.653 4.408 4.952 . 0 0 "[ . 1 . 2]" 2
501 1 17 PHE QE 1 118 LEU HG 3.525 . 5.250 5.076 4.809 5.289 0.039 19 0 "[ . 1 . 2]" 2
502 1 118 LEU HG 1 119 ILE HA 3.650 . 5.500 4.355 3.968 4.800 . 0 0 "[ . 1 . 2]" 2
503 1 14 TYR HA 1 118 LEU HG 3.330 . 4.860 4.547 4.364 4.790 . 0 0 "[ . 1 . 2]" 2
504 1 118 LEU HG 1 120 ARG HD3 3.075 . 4.350 2.915 1.968 3.902 . 0 0 "[ . 1 . 2]" 2
505 1 118 LEU HG 1 120 ARG HD2 3.075 . 4.350 3.470 2.338 4.341 . 0 0 "[ . 1 . 2]" 2
506 1 118 LEU H 1 118 LEU MD1 3.190 . 4.580 4.140 4.008 4.250 . 0 0 "[ . 1 . 2]" 2
507 1 111 ILE H 1 118 LEU MD1 3.650 . 5.500 5.264 5.038 5.505 0.005 8 0 "[ . 1 . 2]" 2
508 1 14 TYR HA 1 118 LEU MD1 2.460 . 3.120 2.070 1.940 2.318 . 0 0 "[ . 1 . 2]" 2
509 1 17 PHE HB2 1 118 LEU MD1 3.085 . 4.370 3.700 3.371 3.941 . 0 0 "[ . 1 . 2]" 2
510 1 118 LEU H 1 118 LEU MD2 3.650 . 5.500 4.343 4.207 4.415 . 0 0 "[ . 1 . 2]" 2
511 1 118 LEU HA 1 119 ILE HB 3.400 . 5.000 4.612 4.345 4.805 . 0 0 "[ . 1 . 2]" 2
512 1 119 ILE HA 1 119 ILE HG12 2.840 . 3.880 2.575 2.271 3.569 . 0 0 "[ . 1 . 2]" 2
513 1 120 ARG HA 1 120 ARG HG2 3.005 . 4.210 2.909 2.362 3.696 . 0 0 "[ . 1 . 2]" 2
514 1 119 ILE HA 1 119 ILE MD 2.825 . 3.850 3.531 2.986 3.804 . 0 0 "[ . 1 . 2]" 2
515 1 110 THR HA 1 119 ILE MD 3.090 . 4.380 4.266 3.979 4.455 0.075 9 0 "[ . 1 . 2]" 2
516 1 110 THR HB 1 119 ILE MD 3.265 . 4.730 4.795 4.703 4.870 0.140 14 0 "[ . 1 . 2]" 2
517 1 119 ILE H 1 119 ILE MD 2.940 . 4.080 3.757 2.009 4.138 0.058 1 0 "[ . 1 . 2]" 2
518 1 119 ILE MD 1 120 ARG H 3.505 . 5.210 4.970 4.773 5.225 0.015 19 0 "[ . 1 . 2]" 2
519 1 119 ILE HA 1 119 ILE MG 2.535 . 3.270 2.380 2.203 2.554 . 0 0 "[ . 1 . 2]" 2
520 1 110 THR HA 1 119 ILE MG 2.890 . 3.980 3.443 2.705 3.885 . 0 0 "[ . 1 . 2]" 2
521 1 119 ILE MG 1 121 ARG QD 3.385 . 4.970 3.715 2.361 4.947 . 0 0 "[ . 1 . 2]" 2
522 1 119 ILE H 1 119 ILE MG 3.000 . 4.200 3.792 3.661 3.874 . 0 0 "[ . 1 . 2]" 2
523 1 119 ILE MG 1 121 ARG H 3.330 . 4.860 4.760 4.366 4.988 0.128 17 0 "[ . 1 . 2]" 2
524 1 8 VAL MG2 1 120 ARG HD3 3.785 . 5.770 4.263 3.407 5.562 . 0 0 "[ . 1 . 2]" 2
525 1 9 TYR QE 1 121 ARG HB3 3.080 . 4.360 3.440 2.851 4.505 0.145 8 0 "[ . 1 . 2]" 2
526 1 121 ARG HG3 1 122 SER H 3.585 . 5.370 4.374 3.639 5.415 0.045 3 0 "[ . 1 . 2]" 2
527 1 121 ARG HG2 1 122 SER H 3.585 . 5.370 4.597 4.126 5.349 . 0 0 "[ . 1 . 2]" 2
528 1 121 ARG H 1 121 ARG HG2 3.140 . 4.480 3.994 1.804 4.716 0.236 2 0 "[ . 1 . 2]" 2
529 1 121 ARG H 1 121 ARG HG3 3.140 . 4.480 3.707 3.322 4.255 . 0 0 "[ . 1 . 2]" 2
530 1 122 SER HA 1 123 LYS H 2.650 . 3.500 2.165 2.085 2.250 . 0 0 "[ . 1 . 2]" 2
531 1 122 SER HB2 1 123 LYS H 3.175 . 4.550 3.938 3.121 4.438 . 0 0 "[ . 1 . 2]" 2
532 1 9 TYR QE 1 123 LYS HA 3.010 . 4.220 3.881 3.423 4.219 . 0 0 "[ . 1 . 2]" 2
533 1 9 TYR QD 1 123 LYS QB 3.180 . 4.560 4.032 3.607 4.349 . 0 0 "[ . 1 . 2]" 2
534 1 8 VAL H 1 123 LYS QG 3.650 . 5.500 5.451 5.036 6.617 1.117 16 4 "[ **- 1 .+ 2]" 2
535 1 124 ARG HB3 1 125 VAL H 2.650 . 3.500 3.364 2.763 3.563 0.063 15 0 "[ . 1 . 2]" 2
536 1 124 ARG HB2 1 125 VAL H 2.985 . 4.170 4.160 3.930 4.232 0.062 16 0 "[ . 1 . 2]" 2
537 1 6 TRP HE3 1 124 ARG HB2 3.150 . 4.500 3.179 2.956 3.462 . 0 0 "[ . 1 . 2]" 2
538 1 6 TRP HZ3 1 124 ARG HB2 3.650 . 5.500 2.716 2.458 3.073 . 0 0 "[ . 1 . 2]" 2
539 1 123 LYS HA 1 124 ARG HB3 3.600 . 5.400 5.191 5.027 5.427 0.027 14 0 "[ . 1 . 2]" 2
540 1 123 LYS HA 1 124 ARG HB2 3.650 . 5.500 4.243 4.177 4.294 . 0 0 "[ . 1 . 2]" 2
541 1 6 TRP HE3 1 124 ARG HB3 3.230 . 4.660 4.673 4.531 4.757 0.097 14 0 "[ . 1 . 2]" 2
542 1 105 ASN HB3 1 124 ARG HB2 3.300 . 4.800 4.136 2.846 4.778 . 0 0 "[ . 1 . 2]" 2
543 1 6 TRP HZ2 1 124 ARG QG 3.300 . 4.800 4.275 3.826 4.738 . 0 0 "[ . 1 . 2]" 2
544 1 6 TRP HE3 1 124 ARG QG 2.930 . 4.060 3.267 2.910 3.669 . 0 0 "[ . 1 . 2]" 2
545 1 6 TRP HH2 1 124 ARG QG 3.165 . 4.530 3.976 3.543 4.354 . 0 0 "[ . 1 . 2]" 2
546 1 6 TRP HZ3 1 124 ARG QG 3.130 . 4.460 3.475 3.114 3.909 . 0 0 "[ . 1 . 2]" 2
547 1 124 ARG HA 1 124 ARG QG 2.625 . 3.450 2.234 2.196 2.270 . 0 0 "[ . 1 . 2]" 2
548 1 6 TRP HZ3 1 124 ARG HD3 3.000 . 4.200 3.123 2.890 3.496 . 0 0 "[ . 1 . 2]" 2
549 1 6 TRP HZ3 1 124 ARG HD2 3.150 . 4.500 4.526 4.440 4.582 0.082 16 0 "[ . 1 . 2]" 2
550 1 6 TRP HH2 1 124 ARG HD3 3.110 . 4.420 3.046 2.757 3.316 . 0 0 "[ . 1 . 2]" 2
551 1 6 TRP HH2 1 124 ARG HD2 3.125 . 4.450 3.946 3.653 4.103 . 0 0 "[ . 1 . 2]" 2
552 1 124 ARG HD3 1 125 VAL H 3.565 . 5.330 5.204 4.870 5.321 . 0 0 "[ . 1 . 2]" 2
553 1 124 ARG HD2 1 125 VAL H 3.325 . 4.850 4.864 4.718 4.932 0.082 15 0 "[ . 1 . 2]" 2
554 1 105 ASN HA 1 124 ARG HD2 3.455 . 5.110 4.686 4.405 4.939 . 0 0 "[ . 1 . 2]" 2
555 1 4 GLY HA2 1 124 ARG HD2 3.650 . 5.500 5.239 4.599 5.526 0.026 2 0 "[ . 1 . 2]" 2
556 1 124 ARG HB3 1 124 ARG HD3 2.535 . 3.270 3.055 2.868 3.296 0.026 10 0 "[ . 1 . 2]" 2
557 1 124 ARG HB3 1 124 ARG HD2 2.890 . 3.980 3.726 3.649 3.803 . 0 0 "[ . 1 . 2]" 2
558 1 124 ARG HB2 1 124 ARG HD2 2.820 . 3.840 3.654 3.516 3.720 . 0 0 "[ . 1 . 2]" 2
559 1 124 ARG HB2 1 124 ARG HD3 2.465 . 3.130 2.450 2.279 2.568 . 0 0 "[ . 1 . 2]" 2
560 1 53 THR MG 1 73 MET ME 2.420 . 3.040 2.095 1.890 2.572 . 0 0 "[ . 1 . 2]" 2
561 1 51 SER HB2 1 73 MET ME 2.880 . 3.960 2.278 1.951 2.673 . 0 0 "[ . 1 . 2]" 2
562 1 73 MET HA 1 73 MET ME 2.925 . 4.050 3.809 3.006 4.101 0.051 7 0 "[ . 1 . 2]" 2
563 1 58 VAL H 1 73 MET ME 2.925 . 4.050 3.421 2.451 4.055 0.005 13 0 "[ . 1 . 2]" 2
564 1 51 SER H 1 73 MET ME 3.415 . 5.030 4.512 4.186 4.831 . 0 0 "[ . 1 . 2]" 2
565 1 52 LYS H 1 73 MET ME 3.260 . 4.720 4.826 4.710 4.935 0.215 16 0 "[ . 1 . 2]" 2
566 1 73 MET ME 1 74 ASP H 3.490 . 5.180 5.050 4.701 5.261 0.081 6 0 "[ . 1 . 2]" 2
567 1 22 ALA MB 1 23 LEU HA 3.260 . 4.720 4.204 4.136 4.257 . 0 0 "[ . 1 . 2]" 2
568 1 22 ALA MB 1 23 LEU H 2.915 . 4.030 3.655 3.594 3.701 . 0 0 "[ . 1 . 2]" 2
569 1 21 LEU H 1 22 ALA MB 3.380 . 4.960 4.698 4.503 4.796 . 0 0 "[ . 1 . 2]" 2
570 1 6 TRP H 1 107 MET ME 3.050 . 4.300 4.381 4.323 4.478 0.178 9 0 "[ . 1 . 2]" 2
571 1 2 PHE QD 1 107 MET ME 3.505 . 5.210 4.021 3.276 4.553 . 0 0 "[ . 1 . 2]" 2
572 1 6 TRP HZ2 1 107 MET ME 3.650 . 5.500 4.730 4.319 4.966 . 0 0 "[ . 1 . 2]" 2
573 1 6 TRP HE3 1 107 MET ME 3.045 . 4.290 3.768 3.473 3.987 . 0 0 "[ . 1 . 2]" 2
574 1 6 TRP HA 1 107 MET ME 3.525 . 5.250 4.587 4.488 4.654 . 0 0 "[ . 1 . 2]" 2
575 1 107 MET HA 1 107 MET ME 3.650 . 5.500 4.543 4.414 4.652 . 0 0 "[ . 1 . 2]" 2
576 1 2 PHE HA 1 107 MET ME 3.650 . 5.500 4.995 4.451 5.303 . 0 0 "[ . 1 . 2]" 2
577 1 8 VAL HA 1 107 MET ME 3.650 . 5.500 5.486 5.256 5.593 0.093 6 0 "[ . 1 . 2]" 2
578 1 107 MET ME 1 122 SER HB3 2.940 . 4.080 2.946 2.144 3.578 . 0 0 "[ . 1 . 2]" 2
579 1 107 MET ME 1 122 SER HB2 2.940 . 4.080 2.785 2.098 3.444 . 0 0 "[ . 1 . 2]" 2
580 1 6 TRP HB2 1 107 MET ME 2.780 . 3.760 2.507 2.390 2.610 . 0 0 "[ . 1 . 2]" 2
581 1 6 TRP HB3 1 107 MET ME 2.805 . 3.810 2.783 2.662 2.915 . 0 0 "[ . 1 . 2]" 2
582 1 107 MET ME 1 107 MET QG 2.505 . 3.210 2.384 2.322 2.518 . 0 0 "[ . 1 . 2]" 2
583 1 12 GLU HA 1 119 ILE HB 3.650 . 5.500 5.413 4.748 5.581 0.081 7 0 "[ . 1 . 2]" 2
584 1 17 PHE HA 1 116 VAL HB 3.040 . 4.280 2.698 2.537 2.999 . 0 0 "[ . 1 . 2]" 2
585 1 17 PHE QD 1 116 VAL HB 3.205 . 4.610 2.024 1.863 2.707 . 0 0 "[ . 1 . 2]" 2
586 1 98 HIS QB 1 111 ILE MD 3.650 . 5.500 4.407 4.237 4.510 . 0 0 "[ . 1 . 2]" 2
587 1 92 LYS HA 1 97 SER QB 2.825 . 3.850 3.203 3.027 3.545 . 0 0 "[ . 1 . 2]" 2
588 1 96 PHE HA 1 97 SER QB 3.645 . 5.490 4.287 3.858 4.663 . 0 0 "[ . 1 . 2]" 2
589 1 95 LYS HA 1 96 PHE QE 3.650 . 5.500 5.469 5.396 5.554 0.054 4 0 "[ . 1 . 2]" 2
590 1 90 VAL HB 1 91 CYS H 3.215 . 4.630 4.126 3.711 4.393 . 0 0 "[ . 1 . 2]" 2
591 1 9 TYR QE 1 121 ARG QD 3.650 . 5.500 4.120 2.954 5.394 . 0 0 "[ . 1 . 2]" 2
592 1 89 LEU HA 1 90 VAL HB 3.315 . 4.830 4.689 4.506 4.866 0.036 9 0 "[ . 1 . 2]" 2
593 1 88 LYS HE3 1 88 LYS QG 2.850 . 3.900 2.665 2.287 3.274 . 0 0 "[ . 1 . 2]" 2
594 1 88 LYS HE2 1 88 LYS QG 2.850 . 3.900 2.748 2.021 3.462 . 0 0 "[ . 1 . 2]" 2
595 1 84 LEU HB3 1 85 ALA HA 3.650 . 5.500 4.735 4.507 4.872 . 0 0 "[ . 1 . 2]" 2
596 1 84 LEU HB3 1 89 LEU HA 3.650 . 5.500 5.339 5.060 5.513 0.013 3 0 "[ . 1 . 2]" 2
597 1 84 LEU HB2 1 89 LEU HA 3.650 . 5.500 4.252 3.980 4.469 . 0 0 "[ . 1 . 2]" 2
598 1 72 THR HA 1 72 THR MG 2.540 . 3.280 3.211 3.190 3.223 . 0 0 "[ . 1 . 2]" 2
599 1 72 THR H 1 72 THR MG 2.670 . 3.540 1.977 1.720 2.098 0.080 19 0 "[ . 1 . 2]" 2
600 1 123 LYS QE 1 123 LYS QG 2.730 . 3.450 2.200 2.120 2.328 . 0 0 "[ . 1 . 2]" 2
601 1 123 LYS QB 1 123 LYS QE 3.105 . 4.410 2.966 2.087 3.598 . 0 0 "[ . 1 . 2]" 2
602 1 63 THR HB 1 66 LYS QD 2.880 . 3.960 2.914 1.912 3.948 . 0 0 "[ . 1 . 2]" 2
603 1 66 LYS HA 1 66 LYS QD 2.990 . 4.180 3.876 2.845 4.177 . 0 0 "[ . 1 . 2]" 2
604 1 62 PHE HB2 1 63 THR HB 3.650 . 5.500 5.024 4.846 5.283 . 0 0 "[ . 1 . 2]" 2
605 1 62 PHE HB2 1 70 ILE MG 3.650 . 5.500 4.462 4.333 4.623 . 0 0 "[ . 1 . 2]" 2
606 1 62 PHE HB2 1 64 LEU HA 3.635 . 5.470 5.273 5.038 5.503 0.033 11 0 "[ . 1 . 2]" 2
607 1 57 THR HA 1 58 VAL H 2.475 . 3.150 2.166 2.134 2.216 . 0 0 "[ . 1 . 2]" 2
608 1 52 LYS QG 1 57 THR HB 3.045 . 4.290 3.857 2.264 4.349 0.059 12 0 "[ . 1 . 2]" 2
609 1 28 ILE HA 1 28 ILE QG 2.600 . 3.400 2.416 2.309 3.203 . 0 0 "[ . 1 . 2]" 2
610 1 76 LYS HA 1 76 LYS QD 2.695 . 3.590 3.207 2.138 3.743 0.153 3 0 "[ . 1 . 2]" 2
611 1 76 LYS QD 1 77 LYS H 2.905 . 4.010 3.830 3.263 4.058 0.048 18 0 "[ . 1 . 2]" 2
612 1 76 LYS H 1 76 LYS QD 3.385 . 4.970 4.621 3.732 5.057 0.087 19 0 "[ . 1 . 2]" 2
613 1 25 GLU HA 1 28 ILE QG 2.870 . 3.940 2.969 1.808 3.382 . 0 0 "[ . 1 . 2]" 2
614 1 41 GLN H 1 41 GLN HB3 2.820 . 3.840 3.354 3.081 3.837 . 0 0 "[ . 1 . 2]" 2
615 1 41 GLN H 1 41 GLN HB2 2.820 . 3.840 3.594 2.714 3.858 0.018 20 0 "[ . 1 . 2]" 2
616 1 40 ILE HA 1 40 ILE MD 2.605 . 3.410 3.363 3.303 3.435 0.025 11 0 "[ . 1 . 2]" 2
617 1 3 SER QB 1 40 ILE MD 3.045 . 4.290 3.373 3.103 3.621 . 0 0 "[ . 1 . 2]" 2
618 1 3 SER H 1 40 ILE MD 3.385 . 4.970 3.521 3.207 3.844 . 0 0 "[ . 1 . 2]" 2
619 1 39 GLU HG2 1 50 THR HB 3.650 . 5.500 4.945 4.656 5.199 . 0 0 "[ . 1 . 2]" 2
620 1 5 THR HB 1 37 ILE MD 2.690 . 3.580 1.907 1.827 2.051 . 0 0 "[ . 1 . 2]" 2
621 1 5 THR HA 1 37 ILE MD 2.845 . 3.890 2.614 2.428 2.809 . 0 0 "[ . 1 . 2]" 2
622 1 37 ILE HA 1 37 ILE MD 3.050 . 4.300 3.384 3.327 3.465 . 0 0 "[ . 1 . 2]" 2
623 1 6 TRP HB2 1 37 ILE MD 3.395 . 4.990 4.594 4.393 4.853 . 0 0 "[ . 1 . 2]" 2
624 1 20 ALA MB 1 113 PHE HA 3.650 . 5.500 5.543 5.287 5.641 0.141 11 0 "[ . 1 . 2]" 2
625 1 20 ALA MB 1 113 PHE HB2 3.650 . 5.500 5.099 4.630 5.344 . 0 0 "[ . 1 . 2]" 2
626 1 3 SER QB 1 47 PHE QD 3.650 . 5.500 5.444 4.771 5.591 0.091 11 0 "[ . 1 . 2]" 2
627 1 18 LEU MD1 1 28 ILE MG 2.605 . 3.410 1.932 1.831 2.044 . 0 0 "[ . 1 . 2]" 2
628 1 34 ILE MG 1 54 PRO HD3 2.825 . 3.850 3.179 2.253 3.971 0.121 18 0 "[ . 1 . 2]" 2
629 1 51 SER HB3 1 73 MET ME 2.880 . 3.960 2.439 2.062 2.990 . 0 0 "[ . 1 . 2]" 2
630 1 23 LEU MD2 1 74 ASP HB2 3.545 . 5.290 3.049 2.244 4.881 . 0 0 "[ . 1 . 2]" 2
631 1 60 ASN HB2 1 70 ILE MG 2.920 . 4.040 3.741 3.573 4.004 . 0 0 "[ . 1 . 2]" 2
632 1 60 ASN HB3 1 70 ILE MG 2.920 . 4.040 2.295 2.092 2.698 . 0 0 "[ . 1 . 2]" 2
633 1 64 LEU MD1 1 84 LEU HB2 2.645 . 3.490 2.240 1.944 2.488 . 0 0 "[ . 1 . 2]" 2
634 1 64 LEU MD1 1 84 LEU HB3 2.855 . 3.910 2.729 2.346 3.158 . 0 0 "[ . 1 . 2]" 2
635 1 20 ALA MB 1 114 GLY H 3.200 . 4.600 4.443 4.173 4.570 . 0 0 "[ . 1 . 2]" 2
636 1 27 LEU HA 1 30 MET ME 3.020 . 4.240 2.536 1.808 4.071 . 0 0 "[ . 1 . 2]" 2
637 1 30 MET H 1 30 MET ME 3.240 . 4.680 3.741 3.300 4.169 . 0 0 "[ . 1 . 2]" 2
638 1 28 ILE H 1 30 MET ME 3.650 . 5.500 5.032 4.670 5.509 0.009 19 0 "[ . 1 . 2]" 2
639 1 26 ASP H 1 30 MET ME 3.650 . 5.500 5.452 5.028 5.638 0.138 4 0 "[ . 1 . 2]" 2
640 1 6 TRP HA 1 125 VAL H 3.090 . 4.380 3.559 3.068 4.186 . 0 0 "[ . 1 . 2]" 2
641 1 124 ARG HA 1 125 VAL H 2.485 . 3.170 2.254 2.195 2.388 . 0 0 "[ . 1 . 2]" 2
642 1 125 VAL H 1 125 VAL HB 2.860 . 3.920 3.479 2.650 3.934 0.014 14 0 "[ . 1 . 2]" 2
643 1 124 ARG QG 1 125 VAL H 2.685 . 3.570 2.395 2.262 2.505 . 0 0 "[ . 1 . 2]" 2
644 1 124 ARG HE 1 125 VAL H 3.615 . 5.430 4.492 4.030 4.805 . 0 0 "[ . 1 . 2]" 2
645 1 124 ARG H 1 124 ARG HD3 3.650 . 5.500 4.623 4.423 4.740 . 0 0 "[ . 1 . 2]" 2
646 1 123 LYS QB 1 124 ARG H 2.805 . 3.810 2.967 2.765 3.119 . 0 0 "[ . 1 . 2]" 2
647 1 124 ARG H 1 124 ARG HB2 2.555 . 3.310 2.205 2.116 2.305 . 0 0 "[ . 1 . 2]" 2
648 1 124 ARG H 1 124 ARG HB3 2.820 . 3.840 2.983 2.826 3.169 . 0 0 "[ . 1 . 2]" 2
649 1 124 ARG H 1 124 ARG QG 2.935 . 4.070 3.792 3.612 3.919 . 0 0 "[ . 1 . 2]" 2
650 1 123 LYS HA 1 124 ARG H 2.645 . 3.490 2.217 2.169 2.288 . 0 0 "[ . 1 . 2]" 2
651 1 6 TRP HZ3 1 124 ARG H 2.760 . 3.720 3.669 3.437 3.761 0.041 19 0 "[ . 1 . 2]" 2
652 1 6 TRP HE3 1 124 ARG H 2.805 . 3.810 3.146 2.833 3.350 . 0 0 "[ . 1 . 2]" 2
653 1 106 GLU HA 1 124 ARG H 3.115 . 4.430 3.035 2.598 3.412 . 0 0 "[ . 1 . 2]" 2
654 1 9 TYR QE 1 123 LYS H 3.345 . 4.890 3.104 2.286 3.778 . 0 0 "[ . 1 . 2]" 2
655 1 6 TRP HE3 1 123 LYS H 3.320 . 4.840 4.638 4.376 4.896 0.056 8 0 "[ . 1 . 2]" 2
656 1 9 TYR QD 1 123 LYS H 2.950 . 4.100 3.175 2.792 3.456 . 0 0 "[ . 1 . 2]" 2
657 1 8 VAL HA 1 123 LYS H 3.075 . 4.350 3.484 3.198 3.638 . 0 0 "[ . 1 . 2]" 2
658 1 122 SER HB3 1 123 LYS H 3.175 . 4.550 3.539 2.958 4.110 . 0 0 "[ . 1 . 2]" 2
659 1 123 LYS H 1 123 LYS QB 2.495 . 3.190 2.870 2.469 3.127 . 0 0 "[ . 1 . 2]" 2
660 1 6 TRP HB3 1 123 LYS H 3.440 . 5.080 3.970 3.653 4.329 . 0 0 "[ . 1 . 2]" 2
661 1 122 SER H 1 122 SER HB3 3.005 . 4.210 3.380 2.683 3.833 . 0 0 "[ . 1 . 2]" 2
662 1 8 VAL HA 1 122 SER H 3.195 . 4.590 4.312 4.202 4.521 . 0 0 "[ . 1 . 2]" 2
663 1 121 ARG QD 1 122 SER H 3.650 . 5.500 5.281 4.009 5.592 0.092 14 0 "[ . 1 . 2]" 2
664 1 106 GLU HB3 1 122 SER H 3.440 . 5.080 4.721 4.282 5.098 0.018 7 0 "[ . 1 . 2]" 2
665 1 107 MET ME 1 122 SER H 3.340 . 4.880 4.663 4.207 4.934 0.054 11 0 "[ . 1 . 2]" 2
666 1 122 SER H 1 122 SER HB2 3.005 . 4.210 2.981 2.677 3.481 . 0 0 "[ . 1 . 2]" 2
667 1 9 TYR QE 1 122 SER H 3.185 . 4.570 4.289 3.731 4.603 0.033 20 0 "[ . 1 . 2]" 2
668 1 9 TYR QD 1 122 SER H 3.565 . 5.330 5.001 4.633 5.282 . 0 0 "[ . 1 . 2]" 2
669 1 121 ARG HE 1 122 SER H 3.650 . 5.500 5.458 4.358 5.713 0.213 12 0 "[ . 1 . 2]" 2
670 1 107 MET H 1 122 SER H 2.915 . 4.030 3.280 2.951 3.597 . 0 0 "[ . 1 . 2]" 2
671 1 109 GLU H 1 122 SER H 3.440 . 5.080 4.280 3.895 4.750 . 0 0 "[ . 1 . 2]" 2
672 1 121 ARG H 1 122 SER H 3.575 . 5.350 4.297 4.161 4.477 . 0 0 "[ . 1 . 2]" 2
673 1 121 ARG H 1 121 ARG QD 3.120 . 4.440 3.932 2.383 4.491 0.051 12 0 "[ . 1 . 2]" 2
674 1 8 VAL HA 1 121 ARG H 3.310 . 4.820 4.467 4.205 4.723 . 0 0 "[ . 1 . 2]" 2
675 1 120 ARG HA 1 121 ARG H 2.390 . 2.980 2.257 2.076 2.447 . 0 0 "[ . 1 . 2]" 2
676 1 9 TYR QE 1 121 ARG H 3.650 . 5.500 5.301 4.750 5.581 0.081 19 0 "[ . 1 . 2]" 2
677 1 121 ARG H 1 121 ARG HE 2.870 . 3.940 2.922 2.396 3.954 0.014 6 0 "[ . 1 . 2]" 2
678 1 119 ILE MG 1 120 ARG H 2.610 . 3.420 2.828 2.439 3.124 . 0 0 "[ . 1 . 2]" 2
679 1 119 ILE HA 1 120 ARG H 2.410 . 3.020 2.169 2.143 2.212 . 0 0 "[ . 1 . 2]" 2
680 1 120 ARG H 1 121 ARG HE 3.650 . 5.500 4.446 3.475 5.635 0.135 18 0 "[ . 1 . 2]" 2
681 1 119 ILE H 1 120 ARG H 3.650 . 5.500 4.396 4.262 4.548 . 0 0 "[ . 1 . 2]" 2
682 1 109 GLU H 1 120 ARG H 2.985 . 4.170 3.747 3.123 4.241 0.071 3 0 "[ . 1 . 2]" 2
683 1 118 LEU HG 1 119 ILE H 3.130 . 4.460 3.842 3.457 4.182 . 0 0 "[ . 1 . 2]" 2
684 1 118 LEU MD1 1 119 ILE H 2.415 . 3.030 2.306 1.929 2.571 . 0 0 "[ . 1 . 2]" 2
685 1 119 ILE H 1 119 ILE HG13 2.890 . 3.980 2.746 2.262 3.634 . 0 0 "[ . 1 . 2]" 2
686 1 119 ILE H 1 119 ILE HG12 2.890 . 3.980 3.410 3.038 4.119 0.139 7 0 "[ . 1 . 2]" 2
687 1 119 ILE H 1 119 ILE HB 2.550 . 3.300 2.531 2.268 2.722 . 0 0 "[ . 1 . 2]" 2
688 1 12 GLU HB3 1 119 ILE H 2.790 . 3.780 3.338 2.624 3.826 0.046 2 0 "[ . 1 . 2]" 2
689 1 12 GLU HB2 1 119 ILE H 2.790 . 3.780 3.302 2.552 3.860 0.080 19 0 "[ . 1 . 2]" 2
690 1 13 ASN HB2 1 119 ILE H 3.455 . 5.110 4.283 3.138 5.351 0.241 8 0 "[ . 1 . 2]" 2
691 1 13 ASN HD22 1 119 ILE H 3.325 . 4.850 4.310 2.865 4.917 0.067 16 0 "[ . 1 . 2]" 2
692 1 118 LEU H 1 118 LEU HG 3.175 . 4.550 4.456 4.381 4.565 0.015 4 0 "[ . 1 . 2]" 2
693 1 118 LEU H 1 118 LEU HB2 2.590 . 3.380 2.721 2.475 2.882 . 0 0 "[ . 1 . 2]" 2
694 1 117 THR MG 1 118 LEU H 2.620 . 3.440 3.571 3.324 4.213 0.773 8 2 "[ - + 1 . 2]" 2
695 1 118 LEU H 1 118 LEU HB3 2.505 . 3.210 2.476 2.393 2.625 . 0 0 "[ . 1 . 2]" 2
696 1 111 ILE HB 1 118 LEU H 3.040 . 4.280 3.663 3.460 3.975 . 0 0 "[ . 1 . 2]" 2
697 1 17 PHE HB2 1 118 LEU H 3.270 . 4.740 4.372 3.895 4.744 0.004 12 0 "[ . 1 . 2]" 2
698 1 13 ASN HB2 1 118 LEU H 3.650 . 5.500 4.758 4.088 5.556 0.056 15 0 "[ . 1 . 2]" 2
699 1 117 THR HB 1 118 LEU H 3.230 . 4.660 4.423 4.249 4.561 . 0 0 "[ . 1 . 2]" 2
700 1 117 THR HA 1 118 LEU H 2.405 . 3.010 2.255 2.188 2.413 . 0 0 "[ . 1 . 2]" 2
701 1 112 THR HA 1 118 LEU H 2.815 . 3.830 3.034 2.877 3.208 . 0 0 "[ . 1 . 2]" 2
702 1 17 PHE QD 1 118 LEU H 3.375 . 4.950 4.401 2.472 4.931 . 0 0 "[ . 1 . 2]" 2
703 1 17 PHE QE 1 118 LEU H 3.650 . 5.500 4.727 2.058 5.376 . 0 0 "[ . 1 . 2]" 2
704 1 118 LEU H 1 119 ILE H 3.105 . 4.410 4.323 4.181 4.450 0.040 11 0 "[ . 1 . 2]" 2
705 1 111 ILE H 1 118 LEU H 3.050 . 4.300 3.974 3.630 4.392 0.092 19 0 "[ . 1 . 2]" 2
706 1 116 VAL HB 1 117 THR H 3.080 . 4.360 4.034 3.785 4.188 . 0 0 "[ . 1 . 2]" 2
707 1 117 THR H 1 117 THR HB 2.430 . 3.060 2.702 2.480 3.101 0.041 8 0 "[ . 1 . 2]" 2
708 1 116 VAL HA 1 117 THR H 2.215 . 2.630 2.142 2.082 2.220 . 0 0 "[ . 1 . 2]" 2
709 1 112 THR HA 1 117 THR H 3.365 . 4.930 4.437 4.038 4.814 . 0 0 "[ . 1 . 2]" 2
710 1 13 ASN HD22 1 117 THR H 3.380 . 4.960 4.283 3.646 4.698 . 0 0 "[ . 1 . 2]" 2
711 1 13 ASN HD21 1 117 THR H 3.270 . 4.740 3.857 3.487 4.556 . 0 0 "[ . 1 . 2]" 2
712 1 116 VAL H 1 117 THR H 3.505 . 5.210 4.325 4.220 4.444 . 0 0 "[ . 1 . 2]" 2
713 1 117 THR H 1 118 LEU H 3.295 . 4.790 3.989 3.655 4.128 . 0 0 "[ . 1 . 2]" 2
714 1 112 THR MG 1 116 VAL H 2.585 . 3.370 3.367 3.226 3.456 0.086 8 0 "[ . 1 . 2]" 2
715 1 20 ALA MB 1 116 VAL H 3.160 . 4.520 3.926 3.712 4.194 . 0 0 "[ . 1 . 2]" 2
716 1 116 VAL H 1 116 VAL HB 2.540 . 3.280 2.795 2.656 2.943 . 0 0 "[ . 1 . 2]" 2
717 1 113 PHE HB2 1 116 VAL H 3.650 . 5.500 5.006 4.864 5.095 . 0 0 "[ . 1 . 2]" 2
718 1 17 PHE HB2 1 116 VAL H 3.650 . 5.500 5.568 5.505 5.636 0.136 4 0 "[ . 1 . 2]" 2
719 1 114 GLY QA 1 116 VAL H 3.000 . 4.200 3.604 3.524 3.698 . 0 0 "[ . 1 . 2]" 2
720 1 116 VAL H 1 117 THR HA 3.650 . 5.500 4.844 4.756 4.969 . 0 0 "[ . 1 . 2]" 2
721 1 112 THR HA 1 116 VAL H 3.020 . 4.240 4.237 4.112 4.278 0.038 14 0 "[ . 1 . 2]" 2
722 1 17 PHE QD 1 116 VAL H 3.200 . 4.600 3.887 3.660 4.648 0.048 4 0 "[ . 1 . 2]" 2
723 1 17 PHE QE 1 116 VAL H 3.650 . 5.500 4.275 3.992 4.562 . 0 0 "[ . 1 . 2]" 2
724 1 116 VAL H 1 118 LEU H 3.650 . 5.500 5.458 5.090 5.625 0.125 12 0 "[ . 1 . 2]" 2
725 1 112 THR MG 1 115 GLY H 2.920 . 4.040 3.444 3.249 3.620 . 0 0 "[ . 1 . 2]" 2
726 1 20 ALA MB 1 115 GLY H 3.650 . 5.500 4.539 4.284 4.777 . 0 0 "[ . 1 . 2]" 2
727 1 115 GLY H 1 116 VAL HB 3.650 . 5.500 5.126 4.936 5.287 . 0 0 "[ . 1 . 2]" 2
728 1 113 PHE HB2 1 115 GLY H 3.650 . 5.500 5.376 5.149 5.475 . 0 0 "[ . 1 . 2]" 2
729 1 114 GLY QA 1 115 GLY H 2.630 . 3.460 2.863 2.831 2.900 . 0 0 "[ . 1 . 2]" 2
730 1 115 GLY H 1 116 VAL H 2.690 . 3.580 2.462 2.411 2.552 . 0 0 "[ . 1 . 2]" 2
731 1 114 GLY H 1 115 GLY H 2.935 . 4.070 2.654 2.586 2.734 . 0 0 "[ . 1 . 2]" 2
732 1 112 THR MG 1 114 GLY H 3.295 . 4.790 4.783 4.709 4.837 0.047 2 0 "[ . 1 . 2]" 2
733 1 113 PHE HB2 1 114 GLY H 3.160 . 4.520 4.162 3.961 4.282 . 0 0 "[ . 1 . 2]" 2
734 1 114 GLY H 1 114 GLY QA 2.300 . 2.800 2.200 2.187 2.208 . 0 0 "[ . 1 . 2]" 2
735 1 96 PHE QD 1 114 GLY H 2.965 . 4.130 3.671 3.206 4.093 . 0 0 "[ . 1 . 2]" 2
736 1 17 PHE QE 1 114 GLY H 3.650 . 5.500 4.325 4.003 5.233 . 0 0 "[ . 1 . 2]" 2
737 1 96 PHE QE 1 114 GLY H 3.650 . 5.500 2.518 2.013 3.369 . 0 0 "[ . 1 . 2]" 2
738 1 112 THR MG 1 113 PHE H 2.555 . 3.310 3.029 2.947 3.120 . 0 0 "[ . 1 . 2]" 2
739 1 20 ALA MB 1 113 PHE H 3.630 . 5.460 5.130 4.892 5.292 . 0 0 "[ . 1 . 2]" 2
740 1 111 ILE HB 1 113 PHE H 3.650 . 5.500 4.679 4.531 4.862 . 0 0 "[ . 1 . 2]" 2
741 1 113 PHE H 1 116 VAL HB 3.555 . 5.310 3.732 3.644 3.958 . 0 0 "[ . 1 . 2]" 2
742 1 113 PHE H 1 113 PHE HB2 2.800 . 3.800 2.720 2.603 2.801 . 0 0 "[ . 1 . 2]" 2
743 1 112 THR HB 1 113 PHE H 3.065 . 4.330 4.310 4.237 4.361 0.031 11 0 "[ . 1 . 2]" 2
744 1 113 PHE H 1 117 THR HA 3.035 . 4.270 3.781 3.450 4.183 . 0 0 "[ . 1 . 2]" 2
745 1 112 THR HA 1 113 PHE H 2.380 . 2.960 2.151 2.123 2.188 . 0 0 "[ . 1 . 2]" 2
746 1 17 PHE QD 1 113 PHE H 2.930 . 4.060 3.937 3.732 4.120 0.060 11 0 "[ . 1 . 2]" 2
747 1 17 PHE QE 1 113 PHE H 2.720 . 3.640 3.057 2.514 3.318 . 0 0 "[ . 1 . 2]" 2
748 1 113 PHE H 1 116 VAL H 2.775 . 3.750 3.020 2.941 3.179 . 0 0 "[ . 1 . 2]" 2
749 1 113 PHE H 1 114 GLY H 3.650 . 5.500 4.333 4.311 4.359 . 0 0 "[ . 1 . 2]" 2
750 1 112 THR H 1 113 PHE H 3.455 . 5.110 3.929 3.788 4.040 . 0 0 "[ . 1 . 2]" 2
751 1 113 PHE H 1 118 LEU H 3.615 . 5.430 3.914 3.582 4.251 . 0 0 "[ . 1 . 2]" 2
752 1 111 ILE MD 1 112 THR H 3.495 . 5.190 4.753 4.581 5.127 . 0 0 "[ . 1 . 2]" 2
753 1 111 ILE MG 1 112 THR H 2.460 . 3.120 1.902 1.768 2.349 0.032 11 0 "[ . 1 . 2]" 2
754 1 111 ILE HB 1 112 THR H 2.940 . 4.080 3.210 2.925 3.690 . 0 0 "[ . 1 . 2]" 2
755 1 112 THR H 1 113 PHE HB2 3.650 . 5.500 4.596 4.355 4.990 . 0 0 "[ . 1 . 2]" 2
756 1 98 HIS QB 1 112 THR H 3.565 . 5.330 4.651 4.261 5.015 . 0 0 "[ . 1 . 2]" 2
757 1 112 THR H 1 112 THR HB 2.525 . 3.250 2.956 2.771 3.050 . 0 0 "[ . 1 . 2]" 2
758 1 112 THR H 1 113 PHE HA 3.515 . 5.230 4.817 4.684 4.925 . 0 0 "[ . 1 . 2]" 2
759 1 111 ILE HA 1 112 THR H 2.375 . 2.950 2.403 2.212 2.548 . 0 0 "[ . 1 . 2]" 2
760 1 112 THR H 1 113 PHE QE 3.290 . 4.780 3.939 3.359 4.540 . 0 0 "[ . 1 . 2]" 2
761 1 112 THR H 1 113 PHE QD 3.650 . 5.500 2.905 2.650 3.231 . 0 0 "[ . 1 . 2]" 2
762 1 99 GLU H 1 112 THR H 3.650 . 5.500 5.243 4.858 5.496 . 0 0 "[ . 1 . 2]" 2
763 1 81 THR MG 1 82 VAL H 2.725 . 3.650 3.696 3.402 3.919 0.269 15 0 "[ . 1 . 2]" 2
764 1 110 THR H 1 111 ILE MD 3.650 . 5.500 5.161 4.828 5.395 . 0 0 "[ . 1 . 2]" 2
765 1 110 THR H 1 119 ILE MG 3.650 . 5.500 5.214 4.503 5.571 0.071 9 0 "[ . 1 . 2]" 2
766 1 110 THR H 1 111 ILE HG13 3.190 . 4.580 4.192 3.864 4.484 . 0 0 "[ . 1 . 2]" 2
767 1 110 THR H 1 110 THR MG 2.890 . 3.980 3.933 3.877 3.979 . 0 0 "[ . 1 . 2]" 2
768 1 110 THR H 1 110 THR HB 2.575 . 3.350 2.911 2.747 3.199 . 0 0 "[ . 1 . 2]" 2
769 1 109 GLU HA 1 110 THR H 2.465 . 3.130 2.217 2.137 2.301 . 0 0 "[ . 1 . 2]" 2
770 1 99 GLU H 1 110 THR H 2.940 . 4.080 3.129 2.821 3.338 . 0 0 "[ . 1 . 2]" 2
771 1 110 THR H 1 111 ILE H 3.485 . 5.170 4.060 3.811 4.215 . 0 0 "[ . 1 . 2]" 2
772 1 107 MET ME 1 109 GLU H 3.650 . 5.500 5.462 5.132 5.608 0.108 7 0 "[ . 1 . 2]" 2
773 1 109 GLU H 1 121 ARG HA 3.040 . 4.280 3.290 2.945 3.714 . 0 0 "[ . 1 . 2]" 2
774 1 107 MET QB 1 108 VAL H 2.965 . 4.130 3.836 3.628 3.956 . 0 0 "[ . 1 . 2]" 2
775 1 107 MET QG 1 108 VAL H 2.550 . 3.300 2.938 2.245 3.274 . 0 0 "[ . 1 . 2]" 2
776 1 107 MET HA 1 108 VAL H 2.335 . 2.870 2.141 2.102 2.201 . 0 0 "[ . 1 . 2]" 2
777 1 107 MET H 1 107 MET ME 3.370 . 4.940 4.444 4.263 4.662 . 0 0 "[ . 1 . 2]" 2
778 1 107 MET H 1 107 MET QB 2.730 . 3.660 2.480 2.347 2.623 . 0 0 "[ . 1 . 2]" 2
779 1 107 MET H 1 107 MET QG 3.035 . 4.270 4.055 3.951 4.243 . 0 0 "[ . 1 . 2]" 2
780 1 106 GLU HB2 1 107 MET H 3.020 . 4.240 4.104 3.823 4.330 0.090 12 0 "[ . 1 . 2]" 2
781 1 106 GLU HB3 1 107 MET H 2.695 . 3.590 3.016 2.623 3.439 . 0 0 "[ . 1 . 2]" 2
782 1 106 GLU HA 1 107 MET H 2.420 . 3.040 2.200 2.108 2.363 . 0 0 "[ . 1 . 2]" 2
783 1 107 MET H 1 123 LYS HA 3.035 . 4.270 3.225 2.761 3.447 . 0 0 "[ . 1 . 2]" 2
784 1 6 TRP HE3 1 107 MET H 3.050 . 4.300 3.371 2.970 3.709 . 0 0 "[ . 1 . 2]" 2
785 1 6 TRP HZ3 1 107 MET H 3.460 . 5.120 3.907 3.321 4.320 . 0 0 "[ . 1 . 2]" 2
786 1 9 TYR QE 1 107 MET H 3.650 . 5.500 5.284 4.983 5.545 0.045 17 0 "[ . 1 . 2]" 2
787 1 102 VAL MG2 1 106 GLU H 3.650 . 5.500 5.484 5.102 5.565 0.065 18 0 "[ . 1 . 2]" 2
788 1 102 VAL MG1 1 106 GLU H 3.650 . 5.500 3.727 3.424 4.056 . 0 0 "[ . 1 . 2]" 2
789 1 106 GLU H 1 106 GLU HB2 2.490 . 3.180 2.586 2.447 2.693 . 0 0 "[ . 1 . 2]" 2
790 1 6 TRP HZ3 1 106 GLU H 3.160 . 4.520 3.649 3.031 3.895 . 0 0 "[ . 1 . 2]" 2
791 1 6 TRP HE3 1 106 GLU H 3.650 . 5.500 5.381 4.899 5.543 0.043 2 0 "[ . 1 . 2]" 2
792 1 6 TRP HH2 1 106 GLU H 3.650 . 5.500 5.147 4.507 5.488 . 0 0 "[ . 1 . 2]" 2
793 1 105 ASN H 1 106 GLU H 2.525 . 3.250 2.242 2.025 2.542 . 0 0 "[ . 1 . 2]" 2
794 1 102 VAL MG2 1 103 LYS H 2.965 . 4.130 3.962 3.871 4.033 . 0 0 "[ . 1 . 2]" 2
795 1 102 VAL MG1 1 103 LYS H 2.965 . 4.130 2.832 2.651 2.986 . 0 0 "[ . 1 . 2]" 2
796 1 66 LYS HG2 1 67 GLU H 3.210 . 4.620 3.668 2.957 4.603 . 0 0 "[ . 1 . 2]" 2
797 1 66 LYS HG3 1 67 GLU H 3.210 . 4.620 4.373 3.483 4.671 0.051 6 0 "[ . 1 . 2]" 2
798 1 103 LYS H 1 103 LYS HB3 2.725 . 3.650 3.447 2.698 3.744 0.094 20 0 "[ . 1 . 2]" 2
799 1 103 LYS H 1 103 LYS HB2 2.725 . 3.650 2.580 2.399 2.940 . 0 0 "[ . 1 . 2]" 2
800 1 67 GLU H 1 67 GLU QB 2.370 . 2.940 2.279 2.236 2.337 . 0 0 "[ . 1 . 2]" 2
801 1 103 LYS H 1 106 GLU HB2 3.040 . 4.280 3.944 3.606 4.228 . 0 0 "[ . 1 . 2]" 2
802 1 103 LYS H 1 107 MET HA 2.610 . 3.420 2.991 2.827 3.152 . 0 0 "[ . 1 . 2]" 2
803 1 103 LYS H 1 106 GLU H 2.980 . 4.160 3.381 3.146 3.564 . 0 0 "[ . 1 . 2]" 2
804 1 102 VAL H 1 102 VAL MG2 2.840 . 3.880 2.724 2.589 2.864 . 0 0 "[ . 1 . 2]" 2
805 1 102 VAL H 1 102 VAL MG1 2.840 . 3.880 3.778 3.711 3.827 . 0 0 "[ . 1 . 2]" 2
806 1 102 VAL H 1 102 VAL HB 2.365 . 2.930 2.497 2.405 2.607 . 0 0 "[ . 1 . 2]" 2
807 1 101 GLU HG3 1 102 VAL H 2.775 . 3.750 2.868 2.533 3.280 . 0 0 "[ . 1 . 2]" 2
808 1 101 GLU HG2 1 102 VAL H 2.775 . 3.750 3.383 2.545 3.797 0.047 5 0 "[ . 1 . 2]" 2
809 1 88 LYS HA 1 89 LEU H 2.290 . 2.780 2.279 2.150 2.574 . 0 0 "[ . 1 . 2]" 2
810 1 101 GLU HA 1 102 VAL H 2.405 . 3.010 2.155 2.121 2.210 . 0 0 "[ . 1 . 2]" 2
811 1 2 PHE QE 1 89 LEU H 2.895 . 3.990 3.017 2.389 3.491 . 0 0 "[ . 1 . 2]" 2
812 1 2 PHE HZ 1 89 LEU H 2.900 . 4.000 2.063 1.789 2.362 0.011 8 0 "[ . 1 . 2]" 2
813 1 88 LYS H 1 89 LEU H 3.435 . 5.070 4.457 4.336 4.530 . 0 0 "[ . 1 . 2]" 2
814 1 99 GLU H 1 110 THR MG 3.425 . 5.050 4.806 4.292 5.111 0.061 19 0 "[ . 1 . 2]" 2
815 1 99 GLU H 1 111 ILE HG12 3.590 . 5.380 3.802 3.299 4.085 . 0 0 "[ . 1 . 2]" 2
816 1 98 HIS QB 1 99 GLU H 3.190 . 4.580 3.813 3.744 3.893 . 0 0 "[ . 1 . 2]" 2
817 1 99 GLU H 1 110 THR HB 3.175 . 4.550 3.986 3.471 4.461 . 0 0 "[ . 1 . 2]" 2
818 1 99 GLU H 1 111 ILE HA 2.395 . 2.990 3.143 3.071 3.225 0.235 4 0 "[ . 1 . 2]" 2
819 1 98 HIS HD2 1 99 GLU H 3.650 . 5.500 2.687 2.253 3.052 . 0 0 "[ . 1 . 2]" 2
820 1 59 THR MG 1 60 ASN H 2.735 . 3.670 2.928 2.463 3.742 0.072 8 0 "[ . 1 . 2]" 2
821 1 60 ASN H 1 60 ASN HB2 2.920 . 4.040 2.480 2.379 2.560 . 0 0 "[ . 1 . 2]" 2
822 1 60 ASN H 1 60 ASN HB3 2.920 . 4.040 3.662 3.575 3.715 . 0 0 "[ . 1 . 2]" 2
823 1 59 THR HB 1 60 ASN H 3.145 . 4.490 4.094 3.692 4.282 . 0 0 "[ . 1 . 2]" 2
824 1 59 THR HA 1 60 ASN H 2.415 . 3.030 2.142 2.108 2.195 . 0 0 "[ . 1 . 2]" 2
825 1 59 THR H 1 60 ASN H 3.240 . 4.680 4.313 4.088 4.492 . 0 0 "[ . 1 . 2]" 2
826 1 60 ASN H 1 61 SER H 3.390 . 4.980 4.334 4.226 4.477 . 0 0 "[ . 1 . 2]" 2
827 1 97 SER H 1 97 SER QB 2.625 . 3.450 3.077 2.797 3.339 . 0 0 "[ . 1 . 2]" 2
828 1 96 PHE HA 1 97 SER H 2.425 . 3.050 2.563 2.447 2.662 . 0 0 "[ . 1 . 2]" 2
829 1 96 PHE QD 1 97 SER H 3.025 . 4.250 4.112 3.983 4.234 . 0 0 "[ . 1 . 2]" 2
830 1 97 SER H 1 113 PHE QE 3.030 . 4.260 4.224 3.972 4.302 0.042 19 0 "[ . 1 . 2]" 2
831 1 97 SER H 1 112 THR H 2.825 . 3.850 3.716 3.435 3.906 0.056 8 0 "[ . 1 . 2]" 2
832 1 95 LYS HG2 1 96 PHE H 3.475 . 5.150 4.547 4.322 5.201 0.051 15 0 "[ . 1 . 2]" 2
833 1 95 LYS HG3 1 96 PHE H 3.475 . 5.150 5.142 4.961 5.265 0.115 6 0 "[ . 1 . 2]" 2
834 1 93 SER HB3 1 96 PHE H 3.215 . 4.630 3.630 2.008 4.017 . 0 0 "[ . 1 . 2]" 2
835 1 93 SER HB2 1 96 PHE H 3.215 . 4.630 2.173 1.863 3.734 . 0 0 "[ . 1 . 2]" 2
836 1 94 GLU HA 1 96 PHE H 3.360 . 4.920 4.628 4.420 4.867 . 0 0 "[ . 1 . 2]" 2
837 1 93 SER HA 1 96 PHE H 3.230 . 4.660 4.586 4.389 4.699 0.039 13 0 "[ . 1 . 2]" 2
838 1 92 LYS HA 1 96 PHE H 3.650 . 5.500 5.529 5.268 5.630 0.130 3 0 "[ . 1 . 2]" 2
839 1 95 LYS H 1 96 PHE H 2.595 . 3.390 1.946 1.762 2.052 0.038 11 0 "[ . 1 . 2]" 2
840 1 94 GLU H 1 96 PHE H 3.025 . 4.250 3.612 3.353 3.851 . 0 0 "[ . 1 . 2]" 2
841 1 95 LYS H 1 95 LYS HG2 3.340 . 4.880 4.576 4.426 4.756 . 0 0 "[ . 1 . 2]" 2
842 1 95 LYS H 1 95 LYS HG3 3.340 . 4.880 4.596 3.706 4.789 . 0 0 "[ . 1 . 2]" 2
843 1 94 GLU QB 1 95 LYS H 2.760 . 3.720 3.111 2.596 3.768 0.048 20 0 "[ . 1 . 2]" 2
844 1 93 SER HB3 1 95 LYS H 3.650 . 5.500 3.592 2.914 4.089 . 0 0 "[ . 1 . 2]" 2
845 1 93 SER HB2 1 95 LYS H 3.650 . 5.500 2.531 2.128 4.199 . 0 0 "[ . 1 . 2]" 2
846 1 92 LYS QG 1 93 SER H 2.865 . 3.930 2.361 2.057 2.505 . 0 0 "[ . 1 . 2]" 2
847 1 92 LYS QD 1 93 SER H 3.050 . 4.300 4.217 3.398 4.378 0.078 19 0 "[ . 1 . 2]" 2
848 1 93 SER H 1 93 SER HB3 2.725 . 3.650 3.574 2.559 3.729 0.079 7 0 "[ . 1 . 2]" 2
849 1 93 SER H 1 93 SER HB2 2.725 . 3.650 2.978 2.640 3.417 . 0 0 "[ . 1 . 2]" 2
850 1 93 SER H 1 97 SER QB 2.835 . 3.870 3.692 3.361 3.981 0.111 3 0 "[ . 1 . 2]" 2
851 1 92 LYS HA 1 93 SER H 2.345 . 2.890 2.179 2.122 2.216 . 0 0 "[ . 1 . 2]" 2
852 1 93 SER H 1 97 SER HA 2.625 . 3.450 2.593 2.450 2.835 . 0 0 "[ . 1 . 2]" 2
853 1 93 SER H 1 96 PHE H 2.680 . 3.560 3.517 3.256 3.602 0.042 12 0 "[ . 1 . 2]" 2
854 1 90 VAL QG 1 92 LYS H 2.840 . 3.880 2.799 1.812 3.544 . 0 0 "[ . 1 . 2]" 2
855 1 90 VAL HB 1 92 LYS H 3.650 . 5.500 4.601 3.613 5.607 0.107 6 0 "[ . 1 . 2]" 2
856 1 92 LYS H 1 92 LYS QD 3.650 . 5.500 4.751 4.607 4.918 . 0 0 "[ . 1 . 2]" 2
857 1 92 LYS H 1 92 LYS HB3 2.975 . 4.150 2.559 2.445 2.716 . 0 0 "[ . 1 . 2]" 2
858 1 92 LYS H 1 92 LYS HB2 2.975 . 4.150 2.787 2.412 3.016 . 0 0 "[ . 1 . 2]" 2
859 1 92 LYS H 1 92 LYS QE 3.335 . 4.870 4.434 4.101 4.755 . 0 0 "[ . 1 . 2]" 2
860 1 92 LYS H 1 97 SER QB 3.650 . 5.500 5.353 4.639 5.664 0.164 10 0 "[ . 1 . 2]" 2
861 1 82 VAL HA 1 92 LYS H 3.350 . 4.900 4.308 3.410 4.826 . 0 0 "[ . 1 . 2]" 2
862 1 81 THR H 1 92 LYS H 3.650 . 5.500 4.696 3.565 5.555 0.055 13 0 "[ . 1 . 2]" 2
863 1 82 VAL MG2 1 92 LYS H 3.650 . 5.500 5.246 4.619 5.636 0.136 15 0 "[ . 1 . 2]" 2
864 1 82 VAL MG1 1 92 LYS H 3.650 . 5.500 5.391 5.077 5.678 0.178 8 0 "[ . 1 . 2]" 2
865 1 90 VAL QG 1 91 CYS H 2.460 . 3.120 2.726 2.331 3.186 0.066 8 0 "[ . 1 . 2]" 2
866 1 82 VAL MG2 1 91 CYS H 3.650 . 5.500 4.609 3.033 5.499 . 0 0 "[ . 1 . 2]" 2
867 1 82 VAL MG1 1 91 CYS H 3.650 . 5.500 4.319 3.690 5.626 0.126 2 0 "[ . 1 . 2]" 2
868 1 90 VAL HA 1 91 CYS H 2.355 . 2.910 2.154 2.104 2.221 . 0 0 "[ . 1 . 2]" 2
869 1 91 CYS H 1 98 HIS HD2 3.650 . 5.500 4.700 4.295 5.248 . 0 0 "[ . 1 . 2]" 2
870 1 91 CYS H 1 92 LYS H 3.165 . 4.530 3.519 2.369 4.108 . 0 0 "[ . 1 . 2]" 2
871 1 91 CYS H 1 98 HIS H 3.190 . 4.580 3.675 3.286 4.126 . 0 0 "[ . 1 . 2]" 2
872 1 90 VAL H 1 90 VAL QG 2.435 . 3.070 2.478 2.179 2.722 . 0 0 "[ . 1 . 2]" 2
873 1 90 VAL H 1 90 VAL HB 2.495 . 3.190 2.757 2.624 3.389 0.199 6 0 "[ . 1 . 2]" 2
874 1 83 HIS HB2 1 90 VAL H 3.650 . 5.500 5.290 5.091 5.496 . 0 0 "[ . 1 . 2]" 2
875 1 83 HIS HB3 1 90 VAL H 3.650 . 5.500 5.538 5.463 5.597 0.097 2 0 "[ . 1 . 2]" 2
876 1 82 VAL HA 1 90 VAL H 3.160 . 4.520 4.249 3.910 4.476 . 0 0 "[ . 1 . 2]" 2
877 1 83 HIS HA 1 90 VAL H 3.280 . 4.760 4.712 4.579 4.777 0.017 9 0 "[ . 1 . 2]" 2
878 1 89 LEU HA 1 90 VAL H 2.455 . 3.110 2.134 2.087 2.213 . 0 0 "[ . 1 . 2]" 2
879 1 84 LEU QD 1 88 LYS H 2.585 . 3.370 3.006 2.433 3.369 . 0 0 "[ . 1 . 2]" 2
880 1 88 LYS H 1 88 LYS QG 2.935 . 4.070 3.253 2.401 3.983 . 0 0 "[ . 1 . 2]" 2
881 1 86 ASN HB3 1 88 LYS H 3.460 . 5.120 4.468 3.100 4.812 . 0 0 "[ . 1 . 2]" 2
882 1 86 ASN HB2 1 88 LYS H 3.135 . 4.470 3.632 3.238 4.588 0.118 18 0 "[ . 1 . 2]" 2
883 1 84 LEU HA 1 88 LYS H 3.205 . 4.610 4.376 4.021 4.591 . 0 0 "[ . 1 . 2]" 2
884 1 25 GLU H 1 28 ILE H 3.395 . 4.990 4.749 4.575 4.908 . 0 0 "[ . 1 . 2]" 2
885 1 84 LEU QD 1 87 GLY H 2.945 . 4.090 2.711 1.753 3.203 0.047 13 0 "[ . 1 . 2]" 2
886 1 84 LEU HG 1 87 GLY H 3.040 . 4.280 3.243 2.491 4.370 0.090 2 0 "[ . 1 . 2]" 2
887 1 84 LEU HB3 1 87 GLY H 3.600 . 5.400 5.081 4.844 5.438 0.038 14 0 "[ . 1 . 2]" 2
888 1 87 GLY H 1 88 LYS QB 3.650 . 5.500 4.684 4.421 5.052 . 0 0 "[ . 1 . 2]" 2
889 1 86 ASN HB3 1 87 GLY H 3.390 . 4.980 4.415 3.719 4.507 . 0 0 "[ . 1 . 2]" 2
890 1 86 ASN HB2 1 87 GLY H 3.310 . 4.820 4.155 4.021 4.474 . 0 0 "[ . 1 . 2]" 2
891 1 86 ASN HA 1 87 GLY H 2.485 . 3.170 2.917 2.818 3.153 . 0 0 "[ . 1 . 2]" 2
892 1 87 GLY H 1 88 LYS H 2.815 . 3.830 2.490 2.367 2.607 . 0 0 "[ . 1 . 2]" 2
893 1 85 ALA H 1 85 ALA MB 2.495 . 3.190 2.544 2.414 2.764 . 0 0 "[ . 1 . 2]" 2
894 1 84 LEU HG 1 85 ALA H 2.835 . 3.870 3.585 3.136 4.308 0.438 13 0 "[ . 1 . 2]" 2
895 1 83 HIS HB2 1 85 ALA H 3.650 . 5.500 5.420 5.115 5.701 0.201 6 0 "[ . 1 . 2]" 2
896 1 85 ALA H 1 86 ASN HB2 3.650 . 5.500 5.161 4.935 5.630 0.130 18 0 "[ . 1 . 2]" 2
897 1 84 LEU HA 1 85 ALA H 2.270 . 2.740 2.132 2.112 2.161 . 0 0 "[ . 1 . 2]" 2
898 1 85 ALA H 1 88 LYS H 2.700 . 3.600 3.037 2.624 3.398 . 0 0 "[ . 1 . 2]" 2
899 1 64 LEU MD1 1 84 LEU H 2.855 . 3.910 3.225 2.801 3.667 . 0 0 "[ . 1 . 2]" 2
900 1 84 LEU H 1 84 LEU HB2 2.470 . 3.140 2.684 2.543 2.851 . 0 0 "[ . 1 . 2]" 2
901 1 84 LEU H 1 84 LEU HB3 2.595 . 3.390 2.526 2.439 2.652 . 0 0 "[ . 1 . 2]" 2
902 1 83 HIS HA 1 84 LEU H 2.370 . 2.940 2.268 2.204 2.384 . 0 0 "[ . 1 . 2]" 2
903 1 82 VAL MG2 1 83 HIS H 3.000 . 4.200 3.758 1.878 4.240 0.040 6 0 "[ . 1 . 2]" 2
904 1 64 LEU MD2 1 83 HIS H 3.075 . 4.350 3.921 3.325 4.347 . 0 0 "[ . 1 . 2]" 2
905 1 82 VAL HB 1 83 HIS H 2.980 . 4.160 3.812 3.452 4.003 . 0 0 "[ . 1 . 2]" 2
906 1 83 HIS H 1 90 VAL HB 2.850 . 3.900 3.682 3.128 5.303 1.403 6 1 "[ .+ 1 . 2]" 2
907 1 83 HIS H 1 83 HIS HB3 2.690 . 3.580 3.399 3.191 3.560 . 0 0 "[ . 1 . 2]" 2
908 1 83 HIS H 1 83 HIS HB2 2.935 . 4.070 3.922 3.794 4.013 . 0 0 "[ . 1 . 2]" 2
909 1 82 VAL HA 1 83 HIS H 2.295 . 2.790 2.169 2.083 2.306 . 0 0 "[ . 1 . 2]" 2
910 1 83 HIS H 1 83 HIS HD2 3.205 . 4.610 3.011 2.365 4.843 0.233 6 0 "[ . 1 . 2]" 2
911 1 82 VAL H 1 83 HIS H 3.425 . 5.050 4.536 4.444 4.589 . 0 0 "[ . 1 . 2]" 2
912 1 82 VAL H 1 82 VAL MG1 2.955 . 4.110 3.382 1.792 3.791 0.008 2 0 "[ . 1 . 2]" 2
913 1 82 VAL H 1 82 VAL MG2 2.955 . 4.110 2.283 1.815 3.849 . 0 0 "[ . 1 . 2]" 2
914 1 82 VAL H 1 82 VAL HB 2.545 . 3.290 2.833 2.672 2.975 . 0 0 "[ . 1 . 2]" 2
915 1 81 THR HB 1 82 VAL H 3.180 . 4.560 4.420 4.004 4.592 0.032 14 0 "[ . 1 . 2]" 2
916 1 81 THR HA 1 82 VAL H 2.460 . 3.120 2.382 2.193 2.822 . 0 0 "[ . 1 . 2]" 2
917 1 70 ILE MG 1 80 CYS H 3.130 . 4.460 3.888 3.692 4.054 . 0 0 "[ . 1 . 2]" 2
918 1 70 ILE MD 1 80 CYS H 3.255 . 4.710 3.804 3.582 4.025 . 0 0 "[ . 1 . 2]" 2
919 1 70 ILE HG13 1 80 CYS H 3.085 . 4.370 2.886 2.696 3.017 . 0 0 "[ . 1 . 2]" 2
920 1 70 ILE HG12 1 80 CYS H 2.745 . 3.690 3.298 3.129 3.448 . 0 0 "[ . 1 . 2]" 2
921 1 80 CYS H 1 80 CYS QB 2.630 . 3.460 2.420 2.265 2.548 . 0 0 "[ . 1 . 2]" 2
922 1 80 CYS H 1 81 THR HA 3.495 . 5.190 4.983 4.733 5.176 . 0 0 "[ . 1 . 2]" 2
923 1 79 LYS HA 1 80 CYS H 2.340 . 2.880 2.139 2.101 2.178 . 0 0 "[ . 1 . 2]" 2
924 1 68 ALA H 1 80 CYS H 2.835 . 3.870 3.389 3.151 3.764 . 0 0 "[ . 1 . 2]" 2
925 1 70 ILE H 1 80 CYS H 2.965 . 4.130 3.840 3.398 4.179 0.049 16 0 "[ . 1 . 2]" 2
926 1 78 LEU MD2 1 79 LYS H 3.485 . 5.170 3.908 3.585 4.524 . 0 0 "[ . 1 . 2]" 2
927 1 78 LEU HB2 1 79 LYS H 2.700 . 3.600 3.577 3.300 3.684 0.084 7 0 "[ . 1 . 2]" 2
928 1 78 LEU HB3 1 79 LYS H 2.700 . 3.600 2.728 2.364 2.964 . 0 0 "[ . 1 . 2]" 2
929 1 79 LYS H 1 79 LYS QB 2.730 . 3.660 2.825 2.507 3.230 . 0 0 "[ . 1 . 2]" 2
930 1 78 LEU HA 1 79 LYS H 2.485 . 3.170 2.306 2.200 2.486 . 0 0 "[ . 1 . 2]" 2
931 1 70 ILE MD 1 78 LEU H 2.785 . 3.770 3.053 2.818 3.368 . 0 0 "[ . 1 . 2]" 2
932 1 78 LEU H 1 78 LEU HG 2.790 . 3.780 2.772 2.527 3.182 . 0 0 "[ . 1 . 2]" 2
933 1 70 ILE HA 1 78 LEU H 3.650 . 5.500 5.395 4.955 5.585 0.085 12 0 "[ . 1 . 2]" 2
934 1 77 LYS HA 1 78 LEU H 2.250 . 2.700 2.128 2.097 2.172 . 0 0 "[ . 1 . 2]" 2
935 1 78 LEU H 1 79 LYS H 3.210 . 4.620 4.421 4.356 4.473 . 0 0 "[ . 1 . 2]" 2
936 1 77 LYS QE 1 78 LEU H 3.650 . 5.500 5.137 2.817 5.586 0.086 17 0 "[ . 1 . 2]" 2
937 1 77 LYS H 1 78 LEU H 3.125 . 4.450 4.362 4.240 4.458 0.008 13 0 "[ . 1 . 2]" 2
938 1 76 LYS HA 1 77 LYS H 2.310 . 2.820 2.232 2.126 2.354 . 0 0 "[ . 1 . 2]" 2
939 1 77 LYS H 1 77 LYS QE 3.650 . 5.500 4.771 2.002 5.407 . 0 0 "[ . 1 . 2]" 2
940 1 76 LYS H 1 78 LEU MD2 3.650 . 5.500 5.395 5.038 5.574 0.074 17 0 "[ . 1 . 2]" 2
941 1 72 THR MG 1 76 LYS H 2.660 . 3.520 1.869 1.725 2.072 0.075 16 0 "[ . 1 . 2]" 2
942 1 71 THR MG 1 76 LYS H 2.675 . 3.550 3.462 2.975 3.632 0.082 11 0 "[ . 1 . 2]" 2
943 1 76 LYS H 1 76 LYS HB2 2.695 . 3.590 2.470 2.217 2.849 . 0 0 "[ . 1 . 2]" 2
944 1 76 LYS H 1 76 LYS HB3 2.695 . 3.590 3.602 3.346 3.704 0.114 13 0 "[ . 1 . 2]" 2
945 1 30 MET HB3 1 31 ALA H 2.895 . 3.990 3.761 3.293 4.115 0.125 3 0 "[ . 1 . 2]" 2
946 1 71 THR HA 1 76 LYS H 3.525 . 5.250 4.843 4.174 5.261 0.011 4 0 "[ . 1 . 2]" 2
947 1 72 THR H 1 76 LYS H 2.790 . 3.780 3.329 2.976 3.745 . 0 0 "[ . 1 . 2]" 2
948 1 72 THR MG 1 75 GLY H 2.935 . 4.070 2.150 1.789 2.596 0.011 9 0 "[ . 1 . 2]" 2
949 1 71 THR MG 1 75 GLY H 2.865 . 3.930 3.683 3.327 3.845 . 0 0 "[ . 1 . 2]" 2
950 1 74 ASP HB2 1 75 GLY H 3.365 . 4.930 4.213 3.477 4.500 . 0 0 "[ . 1 . 2]" 2
951 1 74 ASP HB3 1 75 GLY H 3.365 . 4.930 3.578 2.769 4.493 . 0 0 "[ . 1 . 2]" 2
952 1 75 GLY H 1 76 LYS HA 3.495 . 5.190 4.964 4.620 5.205 0.015 14 0 "[ . 1 . 2]" 2
953 1 75 GLY H 1 76 LYS H 2.610 . 3.420 2.286 1.863 2.669 . 0 0 "[ . 1 . 2]" 2
954 1 74 ASP H 1 75 GLY H 2.525 . 3.250 2.459 2.241 2.645 . 0 0 "[ . 1 . 2]" 2
955 1 72 THR MG 1 74 ASP H 2.855 . 3.910 2.179 1.876 2.471 . 0 0 "[ . 1 . 2]" 2
956 1 71 THR MG 1 74 ASP H 3.435 . 5.070 5.032 4.786 5.191 0.121 7 0 "[ . 1 . 2]" 2
957 1 74 ASP H 1 74 ASP HB2 2.945 . 4.090 3.109 2.630 3.693 . 0 0 "[ . 1 . 2]" 2
958 1 74 ASP H 1 74 ASP HB3 2.945 . 4.090 2.497 2.108 3.578 . 0 0 "[ . 1 . 2]" 2
959 1 74 ASP H 1 76 LYS H 3.025 . 4.250 3.905 3.534 4.277 0.027 6 0 "[ . 1 . 2]" 2
960 1 70 ILE MD 1 72 THR H 3.300 . 4.800 3.845 3.454 4.208 . 0 0 "[ . 1 . 2]" 2
961 1 71 THR MG 1 72 THR H 2.650 . 3.500 2.522 2.256 2.913 . 0 0 "[ . 1 . 2]" 2
962 1 71 THR HB 1 72 THR H 3.290 . 4.780 3.983 3.723 4.151 . 0 0 "[ . 1 . 2]" 2
963 1 71 THR HA 1 72 THR H 2.425 . 3.050 2.151 2.091 2.236 . 0 0 "[ . 1 . 2]" 2
964 1 70 ILE MG 1 71 THR H 2.870 . 3.940 3.434 3.275 3.534 . 0 0 "[ . 1 . 2]" 2
965 1 71 THR H 1 71 THR MG 2.870 . 3.940 3.956 3.888 3.998 0.058 10 0 "[ . 1 . 2]" 2
966 1 70 ILE HB 1 71 THR H 2.755 . 3.710 2.320 2.092 2.468 . 0 0 "[ . 1 . 2]" 2
967 1 71 THR H 1 71 THR HB 2.515 . 3.230 2.864 2.739 2.976 . 0 0 "[ . 1 . 2]" 2
968 1 70 ILE HA 1 71 THR H 2.335 . 2.870 2.479 2.396 2.605 . 0 0 "[ . 1 . 2]" 2
969 1 60 ASN HA 1 71 THR H 2.510 . 3.220 3.451 3.378 3.572 0.352 7 0 "[ . 1 . 2]" 2
970 1 61 SER H 1 71 THR H 3.410 . 5.020 4.837 4.697 4.967 . 0 0 "[ . 1 . 2]" 2
971 1 70 ILE H 1 71 THR H 3.560 . 5.320 4.475 4.443 4.545 . 0 0 "[ . 1 . 2]" 2
972 1 70 ILE H 1 70 ILE MG 2.935 . 4.070 3.116 2.818 3.263 . 0 0 "[ . 1 . 2]" 2
973 1 70 ILE H 1 70 ILE HG12 2.740 . 3.680 3.539 3.257 3.663 . 0 0 "[ . 1 . 2]" 2
974 1 70 ILE H 1 70 ILE HB 2.825 . 3.850 3.746 3.661 3.809 . 0 0 "[ . 1 . 2]" 2
975 1 59 THR H 1 59 THR HB 2.590 . 3.380 2.804 2.617 3.053 . 0 0 "[ . 1 . 2]" 2
976 1 58 VAL HA 1 59 THR H 2.375 . 2.950 2.267 2.152 2.360 . 0 0 "[ . 1 . 2]" 2
977 1 69 ASP HA 1 70 ILE H 2.350 . 2.900 2.126 2.086 2.222 . 0 0 "[ . 1 . 2]" 2
978 1 70 ILE H 1 79 LYS HA 2.785 . 3.770 2.853 2.522 3.174 . 0 0 "[ . 1 . 2]" 2
979 1 52 LYS H 1 58 VAL H 3.650 . 5.500 5.317 5.069 5.560 0.060 1 0 "[ . 1 . 2]" 2
980 1 69 ASP H 1 70 ILE MG 3.165 . 4.530 4.277 3.950 4.517 . 0 0 "[ . 1 . 2]" 2
981 1 69 ASP H 1 70 ILE HG13 3.650 . 5.500 5.479 5.201 5.607 0.107 5 0 "[ . 1 . 2]" 2
982 1 68 ALA MB 1 69 ASP H 2.425 . 3.050 2.801 2.526 3.076 0.026 9 0 "[ . 1 . 2]" 2
983 1 69 ASP H 1 69 ASP HB2 2.765 . 3.730 2.850 2.133 3.649 . 0 0 "[ . 1 . 2]" 2
984 1 69 ASP H 1 69 ASP HB3 2.765 . 3.730 2.647 2.209 3.608 . 0 0 "[ . 1 . 2]" 2
985 1 69 ASP H 1 79 LYS HA 3.510 . 5.220 4.877 4.487 5.280 0.060 13 0 "[ . 1 . 2]" 2
986 1 69 ASP H 1 70 ILE H 3.155 . 4.510 4.361 3.842 4.509 . 0 0 "[ . 1 . 2]" 2
987 1 68 ALA H 1 81 THR MG 3.615 . 5.430 4.784 3.654 5.456 0.026 19 0 "[ . 1 . 2]" 2
988 1 68 ALA H 1 70 ILE MG 3.650 . 5.500 4.795 4.608 5.023 . 0 0 "[ . 1 . 2]" 2
989 1 68 ALA H 1 70 ILE HG13 3.650 . 5.500 5.534 5.350 5.602 0.102 15 0 "[ . 1 . 2]" 2
990 1 68 ALA H 1 79 LYS QD 3.650 . 5.500 5.458 4.893 5.552 0.052 14 0 "[ . 1 . 2]" 2
991 1 68 ALA H 1 68 ALA MB 2.530 . 3.260 2.515 2.353 2.624 . 0 0 "[ . 1 . 2]" 2
992 1 67 GLU HA 1 68 ALA H 2.400 . 3.000 2.185 2.149 2.237 . 0 0 "[ . 1 . 2]" 2
993 1 68 ALA H 1 81 THR HA 3.125 . 4.450 3.315 2.941 3.862 . 0 0 "[ . 1 . 2]" 2
994 1 68 ALA H 1 69 ASP HA 3.430 . 5.060 4.884 4.713 5.067 0.007 16 0 "[ . 1 . 2]" 2
995 1 68 ALA H 1 79 LYS HA 3.390 . 4.980 4.409 4.095 4.657 . 0 0 "[ . 1 . 2]" 2
996 1 63 THR MG 1 66 LYS H 3.110 . 4.420 4.257 3.967 4.450 0.030 11 0 "[ . 1 . 2]" 2
997 1 66 LYS H 1 66 LYS HB3 2.805 . 3.810 3.663 3.398 3.770 . 0 0 "[ . 1 . 2]" 2
998 1 66 LYS H 1 66 LYS QE 3.650 . 5.500 4.948 3.467 5.539 0.039 16 0 "[ . 1 . 2]" 2
999 1 63 THR HB 1 66 LYS H 3.120 . 4.440 3.739 3.356 3.970 . 0 0 "[ . 1 . 2]" 2
1000 1 64 LEU HA 1 66 LYS H 2.800 . 3.800 3.552 3.294 3.695 . 0 0 "[ . 1 . 2]" 2
1001 1 65 GLY H 1 66 LYS H 2.680 . 3.560 2.363 2.232 2.539 . 0 0 "[ . 1 . 2]" 2
1002 1 65 GLY H 1 82 VAL MG2 3.650 . 5.500 5.142 4.137 5.556 0.056 6 0 "[ . 1 . 2]" 2
1003 1 64 LEU MD1 1 65 GLY H 3.515 . 5.230 5.109 4.827 5.251 0.021 5 0 "[ . 1 . 2]" 2
1004 1 64 LEU HB3 1 65 GLY H 2.740 . 3.680 3.539 3.231 3.696 0.016 19 0 "[ . 1 . 2]" 2
1005 1 64 LEU HB2 1 65 GLY H 3.195 . 4.590 4.358 4.205 4.442 . 0 0 "[ . 1 . 2]" 2
1006 1 64 LEU HG 1 65 GLY H 3.490 . 5.180 5.194 5.125 5.245 0.065 6 0 "[ . 1 . 2]" 2
1007 1 65 GLY H 1 83 HIS HB2 3.160 . 4.520 3.605 3.326 3.870 . 0 0 "[ . 1 . 2]" 2
1008 1 64 LEU HA 1 65 GLY H 2.310 . 2.820 2.126 2.097 2.146 . 0 0 "[ . 1 . 2]" 2
1009 1 65 GLY H 1 83 HIS HA 2.820 . 3.840 2.327 1.891 2.588 . 0 0 "[ . 1 . 2]" 2
1010 1 64 LEU H 1 64 LEU MD2 2.780 . 3.760 3.144 2.990 3.290 . 0 0 "[ . 1 . 2]" 2
1011 1 64 LEU H 1 64 LEU MD1 2.880 . 3.960 3.738 3.687 3.796 . 0 0 "[ . 1 . 2]" 2
1012 1 63 THR MG 1 64 LEU H 2.590 . 3.380 2.573 2.380 2.791 . 0 0 "[ . 1 . 2]" 2
1013 1 64 LEU H 1 64 LEU HB3 2.725 . 3.650 3.580 3.561 3.594 . 0 0 "[ . 1 . 2]" 2
1014 1 64 LEU H 1 64 LEU HB2 2.495 . 3.190 2.454 2.371 2.553 . 0 0 "[ . 1 . 2]" 2
1015 1 64 LEU H 1 64 LEU HG 2.460 . 3.120 2.337 2.185 2.452 . 0 0 "[ . 1 . 2]" 2
1016 1 45 ASP HB2 1 64 LEU H 2.850 . 3.900 3.791 2.535 3.981 0.081 6 0 "[ . 1 . 2]" 2
1017 1 45 ASP HB3 1 64 LEU H 2.850 . 3.900 2.730 2.413 3.896 . 0 0 "[ . 1 . 2]" 2
1018 1 63 THR HB 1 64 LEU H 3.195 . 4.590 3.952 3.812 4.044 . 0 0 "[ . 1 . 2]" 2
1019 1 46 ASP HA 1 64 LEU H 2.730 . 3.660 3.532 3.349 3.718 0.058 5 0 "[ . 1 . 2]" 2
1020 1 62 PHE QD 1 64 LEU H 3.220 . 4.640 4.006 3.761 4.119 . 0 0 "[ . 1 . 2]" 2
1021 1 47 PHE QD 1 64 LEU H 3.055 . 4.310 3.766 3.462 3.946 . 0 0 "[ . 1 . 2]" 2
1022 1 47 PHE QE 1 64 LEU H 3.125 . 4.450 4.177 3.861 4.436 . 0 0 "[ . 1 . 2]" 2
1023 1 63 THR H 1 63 THR MG 2.955 . 4.110 3.914 3.868 3.948 . 0 0 "[ . 1 . 2]" 2
1024 1 63 THR H 1 68 ALA MB 2.810 . 3.820 2.660 2.363 2.998 . 0 0 "[ . 1 . 2]" 2
1025 1 62 PHE HB3 1 63 THR H 2.830 . 3.860 3.575 3.457 3.864 0.004 7 0 "[ . 1 . 2]" 2
1026 1 62 PHE HB2 1 63 THR H 2.635 . 3.470 2.267 2.036 2.723 . 0 0 "[ . 1 . 2]" 2
1027 1 63 THR H 1 63 THR HB 2.485 . 3.170 2.831 2.738 2.927 . 0 0 "[ . 1 . 2]" 2
1028 1 62 PHE HA 1 63 THR H 2.430 . 3.060 2.458 2.244 2.598 . 0 0 "[ . 1 . 2]" 2
1029 1 62 PHE QD 1 63 THR H 2.980 . 4.160 3.391 3.028 3.779 . 0 0 "[ . 1 . 2]" 2
1030 1 48 VAL QG 1 62 PHE H 2.985 . 4.170 4.003 3.781 4.146 . 0 0 "[ . 1 . 2]" 2
1031 1 47 PHE HB2 1 62 PHE H 2.740 . 3.680 3.412 3.220 3.696 0.016 2 0 "[ . 1 . 2]" 2
1032 1 62 PHE H 1 68 ALA MB 3.065 . 4.330 4.233 4.086 4.371 0.041 8 0 "[ . 1 . 2]" 2
1033 1 62 PHE H 1 62 PHE HB3 2.930 . 4.060 3.568 3.514 3.631 . 0 0 "[ . 1 . 2]" 2
1034 1 62 PHE H 1 62 PHE HB2 2.910 . 4.020 3.945 3.888 3.999 . 0 0 "[ . 1 . 2]" 2
1035 1 61 SER QB 1 62 PHE H 2.320 . 2.840 2.844 2.659 2.900 0.060 1 0 "[ . 1 . 2]" 2
1036 1 48 VAL HA 1 62 PHE H 3.100 . 4.400 3.942 3.771 4.117 . 0 0 "[ . 1 . 2]" 2
1037 1 46 ASP HA 1 62 PHE H 3.040 . 4.280 4.303 4.072 4.396 0.116 4 0 "[ . 1 . 2]" 2
1038 1 61 SER HA 1 62 PHE H 2.270 . 2.740 2.280 2.219 2.344 . 0 0 "[ . 1 . 2]" 2
1039 1 62 PHE H 1 62 PHE QD 2.710 . 3.620 3.308 3.205 3.464 . 0 0 "[ . 1 . 2]" 2
1040 1 47 PHE QD 1 62 PHE H 3.355 . 4.910 4.970 4.908 5.044 0.134 18 0 "[ . 1 . 2]" 2
1041 1 47 PHE H 1 62 PHE H 2.695 . 3.590 2.738 2.654 2.825 . 0 0 "[ . 1 . 2]" 2
1042 1 62 PHE H 1 63 THR H 3.185 . 4.570 4.359 4.272 4.383 . 0 0 "[ . 1 . 2]" 2
1043 1 48 VAL QG 1 61 SER H 3.195 . 4.590 4.550 4.330 4.634 0.044 17 0 "[ . 1 . 2]" 2
1044 1 59 THR MG 1 61 SER H 3.265 . 4.730 4.421 4.117 4.720 . 0 0 "[ . 1 . 2]" 2
1045 1 61 SER H 1 70 ILE HG12 3.650 . 5.500 5.571 5.544 5.591 0.091 3 0 "[ . 1 . 2]" 2
1046 1 61 SER H 1 68 ALA MB 3.465 . 5.130 4.631 4.311 4.864 . 0 0 "[ . 1 . 2]" 2
1047 1 61 SER H 1 61 SER QB 2.495 . 3.190 2.914 2.698 3.196 0.006 1 0 "[ . 1 . 2]" 2
1048 1 61 SER H 1 70 ILE HA 2.845 . 3.890 3.784 3.582 3.975 0.085 17 0 "[ . 1 . 2]" 2
1049 1 60 ASN HA 1 61 SER H 2.220 . 2.640 2.212 2.189 2.264 . 0 0 "[ . 1 . 2]" 2
1050 1 61 SER H 1 62 PHE QD 3.200 . 4.600 4.136 3.848 4.305 . 0 0 "[ . 1 . 2]" 2
1051 1 61 SER H 1 62 PHE H 3.415 . 5.030 4.478 4.431 4.528 . 0 0 "[ . 1 . 2]" 2
1052 1 57 THR HB 1 58 VAL H 3.055 . 4.310 4.010 3.313 4.403 0.093 14 0 "[ . 1 . 2]" 2
1053 1 58 VAL H 1 58 VAL HB 2.770 . 3.740 3.621 2.469 3.769 0.029 19 0 "[ . 1 . 2]" 2
1054 1 53 THR MG 1 58 VAL H 2.655 . 3.510 3.551 3.126 3.744 0.234 10 0 "[ . 1 . 2]" 2
1055 1 57 THR H 1 57 THR MG 2.970 . 4.140 2.851 1.833 3.807 . 0 0 "[ . 1 . 2]" 2
1056 1 31 ALA H 1 34 ILE H 3.625 . 5.450 4.844 4.542 5.370 . 0 0 "[ . 1 . 2]" 2
1057 1 53 THR MG 1 56 GLN H 3.170 . 4.540 3.751 3.484 3.891 . 0 0 "[ . 1 . 2]" 2
1058 1 54 PRO HD2 1 56 GLN H 3.650 . 5.500 4.782 4.384 5.206 . 0 0 "[ . 1 . 2]" 2
1059 1 56 GLN H 1 57 THR HA 3.265 . 4.730 4.549 4.387 4.705 . 0 0 "[ . 1 . 2]" 2
1060 1 56 GLN H 1 57 THR H 3.165 . 4.530 4.135 3.861 4.345 . 0 0 "[ . 1 . 2]" 2
1061 1 53 THR H 1 56 GLN H 3.175 . 4.550 4.155 3.880 4.540 . 0 0 "[ . 1 . 2]" 2
1062 1 55 ARG H 1 56 GLN H 2.520 . 3.240 2.359 2.042 2.722 . 0 0 "[ . 1 . 2]" 2
1063 1 54 PRO HD3 1 55 ARG H 3.140 . 4.480 3.978 3.721 4.350 . 0 0 "[ . 1 . 2]" 2
1064 1 55 ARG H 1 55 ARG HB3 2.795 . 3.790 3.448 3.071 3.726 . 0 0 "[ . 1 . 2]" 2
1065 1 55 ARG H 1 55 ARG HB2 2.795 . 3.790 2.691 2.180 3.778 . 0 0 "[ . 1 . 2]" 2
1066 1 53 THR MG 1 55 ARG H 3.650 . 5.500 4.151 3.955 4.393 . 0 0 "[ . 1 . 2]" 2
1067 1 53 THR H 1 53 THR MG 2.795 . 3.790 2.647 2.261 2.836 . 0 0 "[ . 1 . 2]" 2
1068 1 52 LYS QG 1 53 THR H 3.320 . 4.840 4.031 2.764 4.703 . 0 0 "[ . 1 . 2]" 2
1069 1 52 LYS HB3 1 53 THR H 3.190 . 4.580 3.387 2.857 3.916 . 0 0 "[ . 1 . 2]" 2
1070 1 53 THR H 1 54 PRO HA 3.610 . 5.420 5.124 4.916 5.296 . 0 0 "[ . 1 . 2]" 2
1071 1 52 LYS HA 1 53 THR H 2.435 . 3.070 2.149 2.108 2.224 . 0 0 "[ . 1 . 2]" 2
1072 1 50 THR MG 1 52 LYS H 3.195 . 4.590 3.874 3.330 4.605 0.015 18 0 "[ . 1 . 2]" 2
1073 1 52 LYS H 1 53 THR MG 3.300 . 4.800 4.003 3.840 4.357 . 0 0 "[ . 1 . 2]" 2
1074 1 52 LYS H 1 52 LYS QG 2.865 . 3.930 2.753 2.011 3.883 . 0 0 "[ . 1 . 2]" 2
1075 1 52 LYS H 1 52 LYS QE 3.650 . 5.500 4.718 3.571 5.592 0.092 7 0 "[ . 1 . 2]" 2
1076 1 38 VAL HA 1 52 LYS H 3.125 . 4.450 3.989 3.562 4.492 0.042 13 0 "[ . 1 . 2]" 2
1077 1 51 SER HA 1 52 LYS H 2.315 . 2.830 2.149 2.102 2.217 . 0 0 "[ . 1 . 2]" 2
1078 1 50 THR MG 1 51 SER H 2.665 . 3.530 3.043 2.607 3.373 . 0 0 "[ . 1 . 2]" 2
1079 1 50 THR HA 1 51 SER H 2.445 . 3.090 2.157 2.126 2.193 . 0 0 "[ . 1 . 2]" 2
1080 1 51 SER H 1 58 VAL H 3.090 . 4.380 3.567 3.240 3.874 . 0 0 "[ . 1 . 2]" 2
1081 1 49 VAL MG1 1 50 THR H 3.225 . 4.650 2.655 2.452 2.958 . 0 0 "[ . 1 . 2]" 2
1082 1 49 VAL HB 1 50 THR H 3.030 . 4.260 4.101 3.903 4.273 0.013 16 0 "[ . 1 . 2]" 2
1083 1 50 THR H 1 50 THR HB 2.620 . 3.440 2.564 2.481 2.683 . 0 0 "[ . 1 . 2]" 2
1084 1 40 ILE HA 1 50 THR H 2.660 . 3.520 3.021 2.751 3.221 . 0 0 "[ . 1 . 2]" 2
1085 1 49 VAL HA 1 50 THR H 2.365 . 2.930 2.135 2.100 2.184 . 0 0 "[ . 1 . 2]" 2
1086 1 48 VAL QG 1 49 VAL H 2.500 . 3.200 3.092 3.024 3.165 . 0 0 "[ . 1 . 2]" 2
1087 1 49 VAL H 1 49 VAL HB 2.815 . 3.830 2.605 2.446 2.712 . 0 0 "[ . 1 . 2]" 2
1088 1 48 VAL HA 1 49 VAL H 2.370 . 2.940 2.146 2.114 2.175 . 0 0 "[ . 1 . 2]" 2
1089 1 49 VAL H 1 62 PHE HZ 3.650 . 5.500 5.466 5.192 5.559 0.059 6 0 "[ . 1 . 2]" 2
1090 1 49 VAL H 1 50 THR H 3.535 . 5.270 4.443 4.330 4.519 . 0 0 "[ . 1 . 2]" 2
1091 1 48 VAL H 1 48 VAL QG 2.500 . 3.200 2.831 2.605 2.967 . 0 0 "[ . 1 . 2]" 2
1092 1 47 PHE HB2 1 48 VAL H 2.855 . 3.910 3.946 3.875 3.998 0.088 6 0 "[ . 1 . 2]" 2
1093 1 47 PHE HB3 1 48 VAL H 2.600 . 3.400 2.733 2.631 2.811 . 0 0 "[ . 1 . 2]" 2
1094 1 48 VAL H 1 48 VAL HB 2.495 . 3.190 2.774 2.704 2.898 . 0 0 "[ . 1 . 2]" 2
1095 1 41 GLN QG 1 48 VAL H 3.280 . 4.760 3.656 3.033 4.822 0.062 13 0 "[ . 1 . 2]" 2
1096 1 48 VAL H 1 61 SER QB 3.650 . 5.500 5.191 5.047 5.328 . 0 0 "[ . 1 . 2]" 2
1097 1 47 PHE HA 1 48 VAL H 2.300 . 2.800 2.239 2.200 2.291 . 0 0 "[ . 1 . 2]" 2
1098 1 48 VAL H 1 61 SER HA 3.455 . 5.110 4.708 4.642 4.803 . 0 0 "[ . 1 . 2]" 2
1099 1 47 PHE QD 1 48 VAL H 2.950 . 4.100 4.103 4.012 4.169 0.069 4 0 "[ . 1 . 2]" 2
1100 1 48 VAL H 1 49 VAL H 2.840 . 3.880 3.908 3.860 3.946 0.066 2 0 "[ . 1 . 2]" 2
1101 1 47 PHE H 1 47 PHE HB2 2.555 . 3.310 2.498 2.418 2.612 . 0 0 "[ . 1 . 2]" 2
1102 1 47 PHE H 1 47 PHE HB3 2.865 . 3.930 3.684 3.631 3.758 . 0 0 "[ . 1 . 2]" 2
1103 1 47 PHE H 1 64 LEU HG 3.650 . 5.500 5.056 4.780 5.368 . 0 0 "[ . 1 . 2]" 2
1104 1 46 ASP HB3 1 47 PHE H 3.075 . 4.350 3.642 3.143 4.231 . 0 0 "[ . 1 . 2]" 2
1105 1 47 PHE H 1 62 PHE HB3 3.650 . 5.500 5.516 5.431 5.560 0.060 8 0 "[ . 1 . 2]" 2
1106 1 47 PHE H 1 61 SER QB 3.640 . 5.480 4.514 4.267 4.793 . 0 0 "[ . 1 . 2]" 2
1107 1 46 ASP HA 1 47 PHE H 2.280 . 2.760 2.141 2.107 2.164 . 0 0 "[ . 1 . 2]" 2
1108 1 47 PHE H 1 63 THR HA 2.890 . 3.980 3.250 3.132 3.387 . 0 0 "[ . 1 . 2]" 2
1109 1 47 PHE H 1 62 PHE QD 3.195 . 4.590 3.904 3.643 4.099 . 0 0 "[ . 1 . 2]" 2
1110 1 47 PHE H 1 47 PHE QD 2.645 . 3.490 2.656 2.412 2.820 . 0 0 "[ . 1 . 2]" 2
1111 1 47 PHE H 1 48 VAL H 3.240 . 4.680 4.455 4.403 4.511 . 0 0 "[ . 1 . 2]" 2
1112 1 45 ASP H 1 46 ASP H 2.355 . 2.910 1.930 1.741 2.298 0.059 14 0 "[ . 1 . 2]" 2
1113 1 46 ASP H 1 47 PHE H 3.310 . 4.820 4.497 4.403 4.548 . 0 0 "[ . 1 . 2]" 2
1114 1 45 ASP H 1 64 LEU MD1 3.575 . 5.350 5.002 4.705 5.317 . 0 0 "[ . 1 . 2]" 2
1115 1 45 ASP H 1 63 THR MG 3.345 . 4.890 4.142 3.870 4.390 . 0 0 "[ . 1 . 2]" 2
1116 1 45 ASP H 1 64 LEU HB2 3.650 . 5.500 5.496 5.421 5.535 0.035 20 0 "[ . 1 . 2]" 2
1117 1 26 ASP H 1 27 LEU QB 3.440 . 5.080 4.421 4.245 4.608 . 0 0 "[ . 1 . 2]" 2
1118 1 26 ASP H 1 29 LYS QD 3.650 . 5.500 4.833 4.337 5.523 0.023 12 0 "[ . 1 . 2]" 2
1119 1 24 PRO HB2 1 26 ASP H 2.475 . 3.150 3.082 2.864 3.192 0.042 13 0 "[ . 1 . 2]" 2
1120 1 25 GLU HB3 1 26 ASP H 2.825 . 3.850 3.461 2.556 3.900 0.050 14 0 "[ . 1 . 2]" 2
1121 1 26 ASP H 1 26 ASP HB2 2.785 . 3.770 2.654 2.200 3.623 . 0 0 "[ . 1 . 2]" 2
1122 1 42 GLN HG2 1 43 LYS H 2.810 . 3.820 3.879 3.465 4.023 0.203 5 0 "[ . 1 . 2]" 2
1123 1 43 LYS H 1 43 LYS QG 3.175 . 4.550 3.984 2.972 4.400 . 0 0 "[ . 1 . 2]" 2
1124 1 43 LYS H 1 43 LYS HB3 2.895 . 3.990 3.305 2.900 3.925 . 0 0 "[ . 1 . 2]" 2
1125 1 43 LYS H 1 43 LYS HB2 2.895 . 3.990 3.119 2.624 3.534 . 0 0 "[ . 1 . 2]" 2
1126 1 42 GLN HG3 1 43 LYS H 2.435 . 3.070 2.692 2.283 2.974 . 0 0 "[ . 1 . 2]" 2
1127 1 42 GLN HA 1 43 LYS H 2.270 . 2.740 2.464 2.202 2.737 . 0 0 "[ . 1 . 2]" 2
1128 1 43 LYS H 1 47 PHE HA 2.800 . 3.800 3.611 3.299 3.857 0.057 15 0 "[ . 1 . 2]" 2
1129 1 42 GLN HE22 1 43 LYS H 3.650 . 5.500 5.343 4.656 5.643 0.143 11 0 "[ . 1 . 2]" 2
1130 1 42 GLN HE21 1 43 LYS H 3.650 . 5.500 4.349 3.738 5.274 . 0 0 "[ . 1 . 2]" 2
1131 1 43 LYS H 1 46 ASP H 3.265 . 4.730 3.632 3.405 3.907 . 0 0 "[ . 1 . 2]" 2
1132 1 42 GLN H 1 43 LYS H 3.600 . 5.400 4.396 4.276 4.490 . 0 0 "[ . 1 . 2]" 2
1133 1 42 GLN H 1 42 GLN HG2 2.920 . 4.040 2.973 2.460 3.946 . 0 0 "[ . 1 . 2]" 2
1134 1 42 GLN H 1 42 GLN QB 2.475 . 3.150 2.747 2.326 3.034 . 0 0 "[ . 1 . 2]" 2
1135 1 41 GLN QG 1 42 GLN H 3.150 . 4.500 4.133 3.739 4.413 . 0 0 "[ . 1 . 2]" 2
1136 1 3 SER HA 1 42 GLN H 2.660 . 3.520 3.579 3.270 3.689 0.169 10 0 "[ . 1 . 2]" 2
1137 1 41 GLN HA 1 42 GLN H 2.390 . 2.980 2.234 2.153 2.263 . 0 0 "[ . 1 . 2]" 2
1138 1 4 GLY H 1 42 GLN H 3.650 . 5.500 5.071 4.576 5.333 . 0 0 "[ . 1 . 2]" 2
1139 1 40 ILE MD 1 41 GLN H 2.385 . 2.970 2.978 2.859 3.029 0.059 6 0 "[ . 1 . 2]" 2
1140 1 40 ILE HG12 1 41 GLN H 2.390 . 2.980 2.610 2.395 2.860 . 0 0 "[ . 1 . 2]" 2
1141 1 40 ILE HB 1 41 GLN H 3.135 . 4.470 4.164 4.079 4.263 . 0 0 "[ . 1 . 2]" 2
1142 1 41 GLN H 1 41 GLN QG 2.695 . 3.590 2.267 1.972 2.556 . 0 0 "[ . 1 . 2]" 2
1143 1 3 SER HA 1 41 GLN H 3.365 . 4.930 4.792 4.607 4.976 0.046 3 0 "[ . 1 . 2]" 2
1144 1 40 ILE HA 1 41 GLN H 2.350 . 2.900 2.130 2.109 2.154 . 0 0 "[ . 1 . 2]" 2
1145 1 41 GLN H 1 42 GLN H 3.325 . 4.850 4.384 4.280 4.471 . 0 0 "[ . 1 . 2]" 2
1146 1 41 GLN H 1 48 VAL H 2.860 . 3.920 3.158 2.970 3.294 . 0 0 "[ . 1 . 2]" 2
1147 1 41 GLN H 1 50 THR H 3.410 . 5.020 4.546 4.193 4.798 . 0 0 "[ . 1 . 2]" 2
1148 1 40 ILE H 1 40 ILE MD 3.010 . 4.220 4.131 4.061 4.238 0.018 18 0 "[ . 1 . 2]" 2
1149 1 39 GLU HB3 1 40 ILE H 2.720 . 3.640 3.500 3.285 3.727 0.087 17 0 "[ . 1 . 2]" 2
1150 1 40 ILE H 1 40 ILE HB 2.620 . 3.440 3.249 3.127 3.352 . 0 0 "[ . 1 . 2]" 2
1151 1 4 GLY HA2 1 40 ILE H 3.650 . 5.500 4.873 4.720 4.959 . 0 0 "[ . 1 . 2]" 2
1152 1 40 ILE H 1 50 THR HB 3.635 . 5.470 5.369 5.090 5.558 0.088 5 0 "[ . 1 . 2]" 2
1153 1 39 GLU HA 1 40 ILE H 2.325 . 2.850 2.141 2.102 2.173 . 0 0 "[ . 1 . 2]" 2
1154 1 6 TRP HD1 1 40 ILE H 3.185 . 4.570 4.187 3.863 4.473 . 0 0 "[ . 1 . 2]" 2
1155 1 5 THR H 1 40 ILE H 3.650 . 5.500 5.126 4.974 5.243 . 0 0 "[ . 1 . 2]" 2
1156 1 37 ILE MD 1 39 GLU H 2.525 . 3.250 3.255 3.155 3.305 0.055 20 0 "[ . 1 . 2]" 2
1157 1 39 GLU H 1 50 THR MG 2.950 . 4.100 4.170 4.131 4.193 0.093 2 0 "[ . 1 . 2]" 2
1158 1 39 GLU H 1 39 GLU HG3 2.705 . 3.610 3.432 3.104 3.602 . 0 0 "[ . 1 . 2]" 2
1159 1 39 GLU H 1 39 GLU HB3 2.700 . 3.600 3.430 3.352 3.548 . 0 0 "[ . 1 . 2]" 2
1160 1 38 VAL HA 1 39 GLU H 2.320 . 2.840 2.154 2.131 2.179 . 0 0 "[ . 1 . 2]" 2
1161 1 39 GLU H 1 50 THR HB 3.065 . 4.330 3.581 3.270 3.881 . 0 0 "[ . 1 . 2]" 2
1162 1 37 ILE MD 1 38 VAL H 2.460 . 3.120 2.742 2.611 2.976 . 0 0 "[ . 1 . 2]" 2
1163 1 37 ILE HG13 1 38 VAL H 2.890 . 3.980 3.980 3.858 4.027 0.047 19 0 "[ . 1 . 2]" 2
1164 1 38 VAL H 1 38 VAL HB 2.460 . 3.120 2.601 2.505 2.672 . 0 0 "[ . 1 . 2]" 2
1165 1 6 TRP HB2 1 38 VAL H 3.330 . 4.860 4.008 3.830 4.205 . 0 0 "[ . 1 . 2]" 2
1166 1 7 GLN HA 1 38 VAL H 2.460 . 3.120 3.141 2.962 3.261 0.141 13 0 "[ . 1 . 2]" 2
1167 1 34 ILE MG 1 35 LYS H 2.905 . 4.010 2.809 2.436 3.334 . 0 0 "[ . 1 . 2]" 2
1168 1 35 LYS H 1 35 LYS HG2 3.290 . 4.780 3.479 1.936 4.356 . 0 0 "[ . 1 . 2]" 2
1169 1 35 LYS H 1 35 LYS HG3 3.290 . 4.780 3.071 2.319 4.305 . 0 0 "[ . 1 . 2]" 2
1170 1 35 LYS H 1 35 LYS HB2 2.900 . 4.000 2.914 2.567 3.740 . 0 0 "[ . 1 . 2]" 2
1171 1 35 LYS H 1 35 LYS HB3 2.900 . 4.000 3.665 3.279 3.819 . 0 0 "[ . 1 . 2]" 2
1172 1 34 ILE HA 1 35 LYS H 2.575 . 3.350 2.136 2.077 2.187 . 0 0 "[ . 1 . 2]" 2
1173 1 34 ILE H 1 34 ILE MD 3.115 . 4.430 3.883 3.454 4.378 . 0 0 "[ . 1 . 2]" 2
1174 1 34 ILE H 1 34 ILE HG12 2.615 . 3.430 3.267 2.822 3.536 0.106 4 0 "[ . 1 . 2]" 2
1175 1 34 ILE H 1 34 ILE HG13 2.465 . 3.130 2.414 1.861 3.164 0.034 9 0 "[ . 1 . 2]" 2
1176 1 34 ILE H 1 34 ILE HB 2.395 . 2.990 2.584 2.434 2.758 . 0 0 "[ . 1 . 2]" 2
1177 1 33 ASP HB2 1 34 ILE H 3.155 . 4.510 3.983 2.846 4.407 . 0 0 "[ . 1 . 2]" 2
1178 1 33 ASP HB3 1 34 ILE H 3.155 . 4.510 3.354 2.664 4.144 . 0 0 "[ . 1 . 2]" 2
1179 1 31 ALA HA 1 34 ILE H 2.910 . 4.020 3.020 2.802 3.456 . 0 0 "[ . 1 . 2]" 2
1180 1 34 ILE H 1 35 LYS HA 3.650 . 5.500 5.258 4.983 5.512 0.012 18 0 "[ . 1 . 2]" 2
1181 1 34 ILE H 1 35 LYS H 3.190 . 4.580 4.394 4.171 4.555 . 0 0 "[ . 1 . 2]" 2
1182 1 33 ASP H 1 34 ILE H 3.005 . 4.210 2.058 1.842 2.290 . 0 0 "[ . 1 . 2]" 2
1183 1 28 ILE MG 1 32 ARG H 3.240 . 4.680 4.364 3.989 4.679 . 0 0 "[ . 1 . 2]" 2
1184 1 31 ALA MB 1 32 ARG H 2.840 . 3.880 2.826 2.708 2.983 . 0 0 "[ . 1 . 2]" 2
1185 1 32 ARG H 1 32 ARG HB3 2.775 . 3.750 2.608 2.302 3.590 . 0 0 "[ . 1 . 2]" 2
1186 1 32 ARG H 1 32 ARG HB2 2.775 . 3.750 3.401 2.317 3.626 . 0 0 "[ . 1 . 2]" 2
1187 1 32 ARG H 1 32 ARG QD 3.100 . 4.400 3.802 3.403 4.134 . 0 0 "[ . 1 . 2]" 2
1188 1 30 MET HA 1 32 ARG H 2.985 . 4.170 3.976 3.729 4.193 0.023 4 0 "[ . 1 . 2]" 2
1189 1 32 ARG H 1 33 ASP HA 3.650 . 5.500 5.286 5.107 5.443 . 0 0 "[ . 1 . 2]" 2
1190 1 14 TYR QD 1 32 ARG H 3.340 . 4.880 4.678 4.192 4.947 0.067 2 0 "[ . 1 . 2]" 2
1191 1 31 ALA H 1 32 ARG H 2.575 . 3.350 2.726 2.652 2.845 . 0 0 "[ . 1 . 2]" 2
1192 1 18 LEU MD1 1 32 ARG H 3.650 . 5.500 3.912 3.375 4.230 . 0 0 "[ . 1 . 2]" 2
1193 1 31 ALA H 1 34 ILE MD 3.460 . 5.120 4.136 3.160 5.000 . 0 0 "[ . 1 . 2]" 2
1194 1 31 ALA H 1 31 ALA MB 2.430 . 3.060 2.211 2.172 2.239 . 0 0 "[ . 1 . 2]" 2
1195 1 31 ALA H 1 34 ILE HG13 3.085 . 4.370 4.231 3.830 4.402 0.032 3 0 "[ . 1 . 2]" 2
1196 1 30 MET HB2 1 31 ALA H 2.895 . 3.990 2.777 2.317 3.910 . 0 0 "[ . 1 . 2]" 2
1197 1 28 ILE HA 1 31 ALA H 2.900 . 4.000 3.483 3.288 3.805 . 0 0 "[ . 1 . 2]" 2
1198 1 29 LYS HA 1 31 ALA H 3.540 . 5.280 4.693 4.412 5.003 . 0 0 "[ . 1 . 2]" 2
1199 1 29 LYS H 1 31 ALA H 3.055 . 4.310 4.051 3.790 4.297 . 0 0 "[ . 1 . 2]" 2
1200 1 28 ILE MG 1 30 MET H 3.515 . 5.230 4.888 4.627 5.243 0.013 4 0 "[ . 1 . 2]" 2
1201 1 27 LEU MD2 1 30 MET H 3.650 . 5.500 5.258 4.343 5.584 0.084 2 0 "[ . 1 . 2]" 2
1202 1 29 LYS QD 1 30 MET H 3.650 . 5.500 4.889 4.209 5.307 . 0 0 "[ . 1 . 2]" 2
1203 1 30 MET H 1 30 MET HB3 2.795 . 3.790 3.498 2.684 3.699 . 0 0 "[ . 1 . 2]" 2
1204 1 30 MET H 1 30 MET HG3 2.865 . 3.930 2.844 1.914 3.786 . 0 0 "[ . 1 . 2]" 2
1205 1 30 MET H 1 30 MET HG2 2.865 . 3.930 3.175 1.751 4.124 0.194 12 0 "[ . 1 . 2]" 2
1206 1 28 ILE HA 1 30 MET H 3.435 . 5.070 4.080 3.795 4.340 . 0 0 "[ . 1 . 2]" 2
1207 1 30 MET H 1 32 ARG QD 3.650 . 5.500 5.143 4.662 5.505 0.005 12 0 "[ . 1 . 2]" 2
1208 1 29 LYS H 1 30 MET H 2.550 . 3.300 2.488 2.216 2.677 . 0 0 "[ . 1 . 2]" 2
1209 1 30 MET H 1 31 ALA H 2.530 . 3.260 2.284 2.149 2.492 . 0 0 "[ . 1 . 2]" 2
1210 1 28 ILE MG 1 29 LYS H 2.890 . 3.980 3.614 3.225 4.011 0.031 4 0 "[ . 1 . 2]" 2
1211 1 29 LYS H 1 29 LYS QB 2.220 . 2.640 2.362 2.161 2.499 . 0 0 "[ . 1 . 2]" 2
1212 1 26 ASP H 1 29 LYS H 3.650 . 5.500 4.967 4.790 5.126 . 0 0 "[ . 1 . 2]" 2
1213 1 29 LYS H 1 29 LYS QE 3.615 . 5.430 4.536 3.328 5.130 . 0 0 "[ . 1 . 2]" 2
1214 1 29 LYS H 1 30 MET ME 3.215 . 4.630 4.593 4.035 4.762 0.132 15 0 "[ . 1 . 2]" 2
1215 1 28 ILE MD 1 29 LYS H 3.370 . 4.940 4.747 4.417 4.958 0.018 1 0 "[ . 1 . 2]" 2
1216 1 28 ILE H 1 28 ILE MD 2.635 . 3.470 3.418 2.572 3.536 0.066 12 0 "[ . 1 . 2]" 2
1217 1 25 GLU HA 1 28 ILE H 2.710 . 3.620 3.355 2.879 3.641 0.021 17 0 "[ . 1 . 2]" 2
1218 1 26 ASP H 1 28 ILE H 2.945 . 4.090 3.922 3.792 4.098 0.008 18 0 "[ . 1 . 2]" 2
1219 1 27 LEU H 1 28 ILE MD 3.430 . 5.060 4.807 4.075 5.043 . 0 0 "[ . 1 . 2]" 2
1220 1 27 LEU H 1 27 LEU MD2 3.405 . 5.010 4.264 3.979 4.411 . 0 0 "[ . 1 . 2]" 2
1221 1 23 LEU QB 1 27 LEU H 3.595 . 5.390 5.350 5.191 5.432 0.042 5 0 "[ . 1 . 2]" 2
1222 1 27 LEU H 1 27 LEU QB 2.275 . 2.750 2.208 2.102 2.263 . 0 0 "[ . 1 . 2]" 2
1223 1 24 PRO HB2 1 27 LEU H 2.495 . 3.190 2.306 1.974 2.675 . 0 0 "[ . 1 . 2]" 2
1224 1 27 LEU H 1 28 ILE HA 3.575 . 5.350 5.111 4.949 5.238 . 0 0 "[ . 1 . 2]" 2
1225 1 24 PRO HD2 1 27 LEU H 3.385 . 4.970 4.364 4.067 4.980 0.010 11 0 "[ . 1 . 2]" 2
1226 1 25 GLU HA 1 27 LEU H 3.295 . 4.790 4.415 3.960 4.772 . 0 0 "[ . 1 . 2]" 2
1227 1 24 PRO HD3 1 27 LEU H 3.650 . 5.500 5.581 5.517 5.652 0.152 5 0 "[ . 1 . 2]" 2
1228 1 27 LEU H 1 28 ILE H 2.475 . 3.150 2.483 2.295 2.638 . 0 0 "[ . 1 . 2]" 2
1229 1 25 GLU H 1 28 ILE MD 2.835 . 3.870 3.523 3.138 4.036 0.166 4 0 "[ . 1 . 2]" 2
1230 1 24 PRO HB3 1 25 GLU H 2.970 . 4.140 3.811 3.543 4.056 . 0 0 "[ . 1 . 2]" 2
1231 1 24 PRO HA 1 25 GLU H 2.325 . 2.850 2.132 2.105 2.151 . 0 0 "[ . 1 . 2]" 2
1232 1 90 VAL H 1 91 CYS H 3.145 . 4.490 4.278 3.994 4.399 . 0 0 "[ . 1 . 2]" 2
1233 1 23 LEU H 1 28 ILE MD 2.760 . 3.720 3.555 3.200 3.779 0.059 20 0 "[ . 1 . 2]" 2
1234 1 23 LEU H 1 23 LEU MD2 3.065 . 4.330 3.679 2.776 3.965 . 0 0 "[ . 1 . 2]" 2
1235 1 23 LEU H 1 23 LEU QB 2.385 . 2.970 2.341 2.258 2.518 . 0 0 "[ . 1 . 2]" 2
1236 1 23 LEU H 1 23 LEU HG 2.590 . 3.380 2.624 2.435 2.815 . 0 0 "[ . 1 . 2]" 2
1237 1 18 LEU HA 1 23 LEU H 3.565 . 5.330 4.677 4.376 5.090 . 0 0 "[ . 1 . 2]" 2
1238 1 22 ALA HA 1 23 LEU H 2.575 . 3.350 2.825 2.708 2.929 . 0 0 "[ . 1 . 2]" 2
1239 1 21 LEU MD2 1 22 ALA H 3.515 . 5.230 4.958 4.678 5.312 0.082 12 0 "[ . 1 . 2]" 2
1240 1 21 LEU MD1 1 22 ALA H 3.565 . 5.330 4.923 4.323 5.207 . 0 0 "[ . 1 . 2]" 2
1241 1 22 ALA H 1 23 LEU MD2 3.650 . 5.500 5.283 4.130 5.591 0.091 1 0 "[ . 1 . 2]" 2
1242 1 21 LEU HB3 1 22 ALA H 3.100 . 4.400 4.363 4.252 4.456 0.056 10 0 "[ . 1 . 2]" 2
1243 1 22 ALA H 1 22 ALA MB 2.400 . 3.000 2.880 2.823 2.936 . 0 0 "[ . 1 . 2]" 2
1244 1 22 ALA H 1 22 ALA HA 2.230 . 2.660 2.266 2.261 2.271 . 0 0 "[ . 1 . 2]" 2
1245 1 20 ALA HA 1 22 ALA H 2.865 . 3.930 3.450 3.377 3.573 . 0 0 "[ . 1 . 2]" 2
1246 1 22 ALA H 1 23 LEU H 2.495 . 3.190 2.633 2.488 2.742 . 0 0 "[ . 1 . 2]" 2
1247 1 21 LEU H 1 22 ALA H 2.525 . 3.250 2.378 2.140 2.525 . 0 0 "[ . 1 . 2]" 2
1248 1 21 LEU H 1 21 LEU MD2 2.955 . 4.110 3.872 3.558 4.111 0.001 19 0 "[ . 1 . 2]" 2
1249 1 21 LEU H 1 21 LEU HB2 2.360 . 2.920 2.535 2.400 2.711 . 0 0 "[ . 1 . 2]" 2
1250 1 21 LEU H 1 23 LEU H 3.085 . 4.370 3.374 3.059 3.617 . 0 0 "[ . 1 . 2]" 2
1251 1 20 ALA H 1 21 LEU H 2.430 . 3.060 2.413 2.328 2.517 . 0 0 "[ . 1 . 2]" 2
1252 1 20 ALA H 1 21 LEU MD2 3.650 . 5.500 5.222 4.505 5.590 0.090 1 0 "[ . 1 . 2]" 2
1253 1 20 ALA H 1 21 LEU MD1 3.550 . 5.300 4.161 3.314 4.788 . 0 0 "[ . 1 . 2]" 2
1254 1 18 LEU MD2 1 20 ALA H 3.650 . 5.500 5.166 4.966 5.374 . 0 0 "[ . 1 . 2]" 2
1255 1 20 ALA H 1 28 ILE MD 3.650 . 5.500 4.832 4.570 5.146 . 0 0 "[ . 1 . 2]" 2
1256 1 20 ALA H 1 21 LEU HG 3.085 . 4.370 3.946 3.301 4.411 0.041 1 0 "[ . 1 . 2]" 2
1257 1 20 ALA H 1 20 ALA MB 2.260 . 2.720 2.277 2.134 2.326 . 0 0 "[ . 1 . 2]" 2
1258 1 19 LYS QB 1 20 ALA H 2.470 . 3.140 3.000 2.721 3.153 0.013 14 0 "[ . 1 . 2]" 2
1259 1 20 ALA H 1 116 VAL HB 3.650 . 5.500 5.464 5.256 5.569 0.069 12 0 "[ . 1 . 2]" 2
1260 1 17 PHE HB2 1 20 ALA H 3.650 . 5.500 5.476 5.356 5.568 0.068 8 0 "[ . 1 . 2]" 2
1261 1 17 PHE HA 1 20 ALA H 2.640 . 3.480 3.225 3.087 3.331 . 0 0 "[ . 1 . 2]" 2
1262 1 17 PHE QD 1 20 ALA H 3.650 . 5.500 4.245 3.860 4.413 . 0 0 "[ . 1 . 2]" 2
1263 1 20 ALA H 1 23 LEU H 3.650 . 5.500 4.950 4.802 5.112 . 0 0 "[ . 1 . 2]" 2
1264 1 18 LEU MD1 1 19 LYS H 3.445 . 5.090 4.720 4.528 4.833 . 0 0 "[ . 1 . 2]" 2
1265 1 19 LYS H 1 28 ILE MG 2.860 . 3.920 3.889 3.623 4.017 0.097 8 0 "[ . 1 . 2]" 2
1266 1 19 LYS H 1 28 ILE MD 2.730 . 3.660 3.203 2.871 3.552 . 0 0 "[ . 1 . 2]" 2
1267 1 19 LYS H 1 19 LYS HG3 2.460 . 3.120 2.513 1.816 3.047 . 0 0 "[ . 1 . 2]" 2
1268 1 19 LYS H 1 19 LYS QB 2.290 . 2.780 2.671 2.565 2.773 . 0 0 "[ . 1 . 2]" 2
1269 1 15 GLU HA 1 19 LYS H 3.435 . 5.070 4.692 4.479 5.040 . 0 0 "[ . 1 . 2]" 2
1270 1 19 LYS H 1 21 LEU H 3.085 . 4.370 4.042 3.876 4.304 . 0 0 "[ . 1 . 2]" 2
1271 1 17 PHE H 1 19 LYS H 3.125 . 4.450 4.079 3.821 4.266 . 0 0 "[ . 1 . 2]" 2
1272 1 19 LYS H 1 19 LYS QE 3.650 . 5.500 4.091 3.740 4.365 . 0 0 "[ . 1 . 2]" 2
1273 1 18 LEU H 1 18 LEU MD1 2.895 . 3.990 3.776 3.664 3.908 . 0 0 "[ . 1 . 2]" 2
1274 1 18 LEU H 1 18 LEU MD2 2.715 . 3.630 2.643 2.480 2.833 . 0 0 "[ . 1 . 2]" 2
1275 1 18 LEU H 1 18 LEU HB2 2.700 . 3.600 2.642 2.560 2.740 . 0 0 "[ . 1 . 2]" 2
1276 1 18 LEU H 1 28 ILE MG 2.985 . 4.170 4.141 4.032 4.242 0.072 12 0 "[ . 1 . 2]" 2
1277 1 18 LEU H 1 18 LEU HG 2.445 . 3.090 2.221 2.088 2.421 . 0 0 "[ . 1 . 2]" 2
1278 1 18 LEU H 1 18 LEU HB3 2.700 . 3.600 3.599 3.582 3.613 0.013 2 0 "[ . 1 . 2]" 2
1279 1 17 PHE HB3 1 18 LEU H 2.575 . 3.350 2.780 2.646 2.904 . 0 0 "[ . 1 . 2]" 2
1280 1 15 GLU HA 1 18 LEU H 2.890 . 3.980 3.422 3.188 3.968 . 0 0 "[ . 1 . 2]" 2
1281 1 14 TYR HA 1 18 LEU H 3.265 . 4.730 4.418 4.091 4.680 . 0 0 "[ . 1 . 2]" 2
1282 1 17 PHE QD 1 18 LEU H 2.970 . 4.140 4.087 3.928 4.179 0.039 17 0 "[ . 1 . 2]" 2
1283 1 18 LEU H 1 21 LEU H 3.650 . 5.500 5.117 4.821 5.393 . 0 0 "[ . 1 . 2]" 2
1284 1 17 PHE H 1 18 LEU H 2.365 . 2.930 2.506 2.321 2.685 . 0 0 "[ . 1 . 2]" 2
1285 1 17 PHE H 1 21 LEU MD1 3.650 . 5.500 5.441 5.088 5.594 0.094 4 0 "[ . 1 . 2]" 2
1286 1 17 PHE H 1 18 LEU MD2 3.650 . 5.500 4.356 4.117 4.633 . 0 0 "[ . 1 . 2]" 2
1287 1 17 PHE H 1 118 LEU HB2 3.640 . 5.480 4.927 4.608 5.489 0.009 4 0 "[ . 1 . 2]" 2
1288 1 17 PHE H 1 118 LEU MD1 3.650 . 5.500 4.498 4.098 4.842 . 0 0 "[ . 1 . 2]" 2
1289 1 17 PHE H 1 18 LEU HG 3.035 . 4.270 4.038 3.817 4.301 0.031 15 0 "[ . 1 . 2]" 2
1290 1 17 PHE H 1 116 VAL HB 3.650 . 5.500 4.711 4.458 5.203 . 0 0 "[ . 1 . 2]" 2
1291 1 17 PHE H 1 17 PHE HB2 2.385 . 2.970 2.646 2.383 2.803 . 0 0 "[ . 1 . 2]" 2
1292 1 14 TYR HA 1 17 PHE H 2.935 . 4.070 3.630 3.432 3.811 . 0 0 "[ . 1 . 2]" 2
1293 1 17 PHE H 1 17 PHE QD 2.995 . 4.190 4.177 4.160 4.195 0.005 1 0 "[ . 1 . 2]" 2
1294 1 16 GLU H 1 17 PHE H 2.625 . 3.450 2.471 2.211 2.582 . 0 0 "[ . 1 . 2]" 2
1295 1 17 PHE H 1 17 PHE HB3 2.605 . 3.410 2.438 2.330 2.640 . 0 0 "[ . 1 . 2]" 2
1296 1 16 GLU H 1 18 LEU HG 3.510 . 5.220 4.567 4.403 4.679 . 0 0 "[ . 1 . 2]" 2
1297 1 16 GLU H 1 19 LYS HG3 3.650 . 5.500 4.664 4.471 4.954 . 0 0 "[ . 1 . 2]" 2
1298 1 16 GLU H 1 16 GLU HB3 2.670 . 3.540 3.047 2.382 3.577 0.037 9 0 "[ . 1 . 2]" 2
1299 1 16 GLU H 1 17 PHE HB2 3.490 . 5.180 4.923 4.557 5.177 . 0 0 "[ . 1 . 2]" 2
1300 1 13 ASN HA 1 16 GLU H 2.955 . 4.110 3.562 3.280 4.082 . 0 0 "[ . 1 . 2]" 2
1301 1 14 TYR QD 1 16 GLU H 3.650 . 5.500 4.947 4.756 5.126 . 0 0 "[ . 1 . 2]" 2
1302 1 14 TYR H 1 16 GLU H 3.205 . 4.610 3.616 3.236 3.960 . 0 0 "[ . 1 . 2]" 2
1303 1 16 GLU H 1 17 PHE HB3 3.350 . 4.900 4.634 4.290 4.818 . 0 0 "[ . 1 . 2]" 2
1304 1 16 GLU H 1 18 LEU MD1 3.650 . 5.500 5.374 5.092 5.523 0.023 13 0 "[ . 1 . 2]" 2
1305 1 16 GLU H 1 18 LEU MD2 3.650 . 5.500 5.501 5.242 5.577 0.077 4 0 "[ . 1 . 2]" 2
1306 1 15 GLU H 1 18 LEU MD1 3.345 . 4.890 4.558 4.200 4.901 0.011 8 0 "[ . 1 . 2]" 2
1307 1 15 GLU H 1 28 ILE MG 3.555 . 5.310 4.775 4.349 5.080 . 0 0 "[ . 1 . 2]" 2
1308 1 15 GLU H 1 118 LEU MD1 3.650 . 5.500 4.831 4.682 5.047 . 0 0 "[ . 1 . 2]" 2
1309 1 15 GLU H 1 18 LEU MD2 3.650 . 5.500 5.166 4.938 5.417 . 0 0 "[ . 1 . 2]" 2
1310 1 15 GLU H 1 118 LEU MD2 3.650 . 5.500 5.498 5.311 5.600 0.100 3 0 "[ . 1 . 2]" 2
1311 1 15 GLU H 1 18 LEU HG 3.170 . 4.540 4.222 4.005 4.463 . 0 0 "[ . 1 . 2]" 2
1312 1 15 GLU H 1 15 GLU HB3 2.290 . 2.780 2.638 2.265 2.786 0.006 12 0 "[ . 1 . 2]" 2
1313 1 14 TYR HB2 1 15 GLU H 2.870 . 3.940 3.622 3.522 3.733 . 0 0 "[ . 1 . 2]" 2
1314 1 14 TYR HB3 1 15 GLU H 2.870 . 3.940 2.144 2.044 2.277 . 0 0 "[ . 1 . 2]" 2
1315 1 15 GLU H 1 16 GLU HA 3.625 . 5.450 5.267 5.177 5.376 . 0 0 "[ . 1 . 2]" 2
1316 1 13 ASN HA 1 15 GLU H 3.075 . 4.350 4.368 4.189 4.456 0.106 4 0 "[ . 1 . 2]" 2
1317 1 14 TYR QE 1 15 GLU H 3.420 . 5.040 5.061 4.889 5.159 0.119 8 0 "[ . 1 . 2]" 2
1318 1 14 TYR QD 1 15 GLU H 2.890 . 3.980 2.794 2.645 2.944 . 0 0 "[ . 1 . 2]" 2
1319 1 14 TYR H 1 15 GLU H 2.655 . 3.510 2.669 2.425 3.018 . 0 0 "[ . 1 . 2]" 2
1320 1 14 TYR H 1 14 TYR HB2 2.630 . 3.460 2.649 2.422 2.850 . 0 0 "[ . 1 . 2]" 2
1321 1 14 TYR H 1 17 PHE HB3 3.480 . 5.160 5.191 5.038 5.295 0.135 12 0 "[ . 1 . 2]" 2
1322 1 14 TYR H 1 14 TYR HB3 2.630 . 3.460 2.491 2.430 2.564 . 0 0 "[ . 1 . 2]" 2
1323 1 13 ASN HB2 1 14 TYR H 3.350 . 4.900 4.322 4.241 4.386 . 0 0 "[ . 1 . 2]" 2
1324 1 14 TYR H 1 14 TYR QD 2.995 . 4.190 4.193 4.167 4.218 0.028 7 0 "[ . 1 . 2]" 2
1325 1 14 TYR H 1 118 LEU MD1 2.795 . 3.790 3.322 2.939 3.652 . 0 0 "[ . 1 . 2]" 2
1326 1 13 ASN H 1 118 LEU MD1 3.100 . 4.400 3.825 2.709 4.532 0.132 18 0 "[ . 1 . 2]" 2
1327 1 13 ASN H 1 119 ILE HB 3.645 . 5.490 5.297 4.617 5.684 0.194 2 0 "[ . 1 . 2]" 2
1328 1 12 GLU HB3 1 13 ASN H 2.740 . 3.680 2.267 1.697 3.182 0.103 11 0 "[ . 1 . 2]" 2
1329 1 12 GLU HB2 1 13 ASN H 2.740 . 3.680 3.386 2.181 4.007 0.327 2 0 "[ . 1 . 2]" 2
1330 1 13 ASN H 1 13 ASN HB3 2.905 . 4.010 3.478 2.713 3.873 . 0 0 "[ . 1 . 2]" 2
1331 1 13 ASN H 1 13 ASN HB2 2.955 . 4.110 3.270 2.799 3.598 . 0 0 "[ . 1 . 2]" 2
1332 1 12 GLU HA 1 13 ASN H 2.280 . 2.760 2.557 1.974 3.398 0.638 6 1 "[ .+ 1 . 2]" 2
1333 1 13 ASN H 1 13 ASN HA 2.340 . 2.880 2.620 2.304 2.939 0.059 6 0 "[ . 1 . 2]" 2
1334 1 13 ASN H 1 14 TYR H 2.800 . 3.800 3.351 2.506 3.890 0.090 12 0 "[ . 1 . 2]" 2
1335 1 13 ASN H 1 13 ASN HD22 3.650 . 5.500 3.599 2.968 4.225 . 0 0 "[ . 1 . 2]" 2
1336 1 12 GLU H 1 118 LEU MD1 2.985 . 4.170 3.729 3.187 4.212 0.042 19 0 "[ . 1 . 2]" 2
1337 1 10 ALA MB 1 12 GLU H 3.100 . 4.400 2.880 2.606 3.843 . 0 0 "[ . 1 . 2]" 2
1338 1 11 GLN HA 1 12 GLU H 2.275 . 2.750 2.734 2.239 2.949 0.199 18 0 "[ . 1 . 2]" 2
1339 1 10 ALA MB 1 11 GLN H 3.190 . 4.580 2.509 2.077 2.960 . 0 0 "[ . 1 . 2]" 2
1340 1 9 TYR H 1 10 ALA MB 2.785 . 3.770 3.760 3.502 3.882 0.112 18 0 "[ . 1 . 2]" 2
1341 1 8 VAL HB 1 9 TYR H 3.055 . 4.310 3.852 2.827 4.238 . 0 0 "[ . 1 . 2]" 2
1342 1 8 VAL HA 1 9 TYR H 2.570 . 3.340 2.179 2.134 2.306 . 0 0 "[ . 1 . 2]" 2
1343 1 9 TYR H 1 122 SER HA 2.735 . 3.670 3.084 2.944 3.270 . 0 0 "[ . 1 . 2]" 2
1344 1 9 TYR H 1 9 TYR QE 3.650 . 5.500 4.205 3.879 4.490 . 0 0 "[ . 1 . 2]" 2
1345 1 9 TYR H 1 9 TYR QD 2.755 . 3.710 2.550 1.801 3.022 . 0 0 "[ . 1 . 2]" 2
1346 1 8 VAL H 1 8 VAL MG2 2.760 . 3.720 2.935 1.809 3.784 0.064 18 0 "[ . 1 . 2]" 2
1347 1 8 VAL H 1 37 ILE HG13 3.650 . 5.500 5.366 5.224 5.513 0.013 8 0 "[ . 1 . 2]" 2
1348 1 8 VAL H 1 8 VAL HB 2.730 . 3.660 2.716 2.264 3.615 . 0 0 "[ . 1 . 2]" 2
1349 1 7 GLN QB 1 8 VAL H 2.880 . 3.960 3.751 3.107 3.937 . 0 0 "[ . 1 . 2]" 2
1350 1 7 GLN HG3 1 8 VAL H 3.485 . 5.170 4.283 2.720 5.212 0.042 4 0 "[ . 1 . 2]" 2
1351 1 7 GLN HG2 1 8 VAL H 3.485 . 5.170 4.020 2.992 5.113 . 0 0 "[ . 1 . 2]" 2
1352 1 7 GLN HA 1 8 VAL H 2.490 . 3.180 2.134 2.108 2.160 . 0 0 "[ . 1 . 2]" 2
1353 1 6 TRP H 1 37 ILE MD 2.610 . 3.420 2.560 2.360 2.866 . 0 0 "[ . 1 . 2]" 2
1354 1 6 TRP H 1 6 TRP HB2 2.785 . 3.770 2.782 2.729 2.857 . 0 0 "[ . 1 . 2]" 2
1355 1 5 THR HA 1 6 TRP H 2.575 . 3.350 2.146 2.115 2.167 . 0 0 "[ . 1 . 2]" 2
1356 1 6 TRP H 1 39 GLU HA 2.805 . 3.810 3.807 3.714 3.859 0.049 19 0 "[ . 1 . 2]" 2
1357 1 6 TRP H 1 6 TRP HD1 2.720 . 3.640 2.444 2.356 2.530 . 0 0 "[ . 1 . 2]" 2
1358 1 5 THR H 1 6 TRP H 3.385 . 4.970 4.172 4.099 4.276 . 0 0 "[ . 1 . 2]" 2
1359 1 4 GLY H 1 40 ILE MD 2.850 . 3.900 2.974 2.753 3.265 . 0 0 "[ . 1 . 2]" 2
1360 1 4 GLY H 1 5 THR MG 3.525 . 5.250 4.623 4.484 4.791 . 0 0 "[ . 1 . 2]" 2
1361 1 3 SER HA 1 4 GLY H 2.455 . 3.110 2.178 2.112 2.234 . 0 0 "[ . 1 . 2]" 2
1362 1 4 GLY H 1 6 TRP HD1 3.565 . 5.330 4.816 4.592 5.118 . 0 0 "[ . 1 . 2]" 2
1363 1 4 GLY H 1 5 THR H 3.220 . 4.640 4.297 4.249 4.356 . 0 0 "[ . 1 . 2]" 2
1364 1 3 SER H 1 40 ILE MG 3.350 . 4.900 4.407 4.200 4.550 . 0 0 "[ . 1 . 2]" 2
1365 1 1 ALA MB 1 3 SER H 2.620 . 3.440 2.606 2.351 3.085 . 0 0 "[ . 1 . 2]" 2
1366 1 2 PHE HB2 1 3 SER H 2.900 . 4.000 3.027 2.866 3.155 . 0 0 "[ . 1 . 2]" 2
1367 1 2 PHE HB3 1 3 SER H 2.990 . 4.180 3.642 3.507 3.847 . 0 0 "[ . 1 . 2]" 2
1368 1 3 SER H 1 3 SER QB 2.390 . 2.980 2.694 2.063 2.891 . 0 0 "[ . 1 . 2]" 2
1369 1 3 SER H 1 47 PHE QE 3.545 . 5.290 4.069 3.574 4.495 . 0 0 "[ . 1 . 2]" 2
1370 1 3 SER H 1 4 GLY H 3.140 . 4.480 4.372 4.241 4.511 0.031 7 0 "[ . 1 . 2]" 2
1371 1 2 PHE QD 1 3 SER H 3.390 . 4.980 4.438 4.083 4.604 . 0 0 "[ . 1 . 2]" 2
1372 1 3 SER H 1 6 TRP HZ2 3.560 . 5.320 4.693 4.388 4.970 . 0 0 "[ . 1 . 2]" 2
1373 1 3 SER H 1 42 GLN HG2 3.325 . 4.850 4.101 3.396 4.898 0.048 1 0 "[ . 1 . 2]" 2
1374 1 41 GLN HE21 1 48 VAL QG 3.190 . 4.580 3.388 2.442 4.556 . 0 0 "[ . 1 . 2]" 2
1375 1 41 GLN HE22 1 48 VAL QG 3.190 . 4.580 3.789 2.830 4.585 0.005 13 0 "[ . 1 . 2]" 2
1376 1 42 GLN HE21 1 64 LEU MD1 3.425 . 5.050 4.337 3.552 5.162 0.112 10 0 "[ . 1 . 2]" 2
1377 1 42 GLN HE22 1 64 LEU MD1 3.425 . 5.050 3.755 3.128 4.360 . 0 0 "[ . 1 . 2]" 2
1378 1 42 GLN HE21 1 42 GLN HG3 2.755 . 3.710 2.489 2.181 3.418 . 0 0 "[ . 1 . 2]" 2
1379 1 13 ASN HD21 1 118 LEU MD1 3.100 . 4.400 4.428 3.953 4.699 0.299 19 0 "[ . 1 . 2]" 2
1380 1 13 ASN HD22 1 119 ILE MD 3.485 . 5.170 4.286 3.211 5.154 . 0 0 "[ . 1 . 2]" 2
1381 1 12 GLU HB3 1 13 ASN HD22 3.650 . 5.500 3.822 3.310 4.512 . 0 0 "[ . 1 . 2]" 2
1382 1 12 GLU HB2 1 13 ASN HD22 3.650 . 5.500 5.165 4.390 5.591 0.091 20 0 "[ . 1 . 2]" 2
1383 1 12 GLU HB2 1 13 ASN HD21 3.610 . 5.420 4.901 4.025 5.766 0.346 8 0 "[ . 1 . 2]" 2
1384 1 12 GLU HB3 1 13 ASN HD21 3.610 . 5.420 3.732 3.155 4.561 . 0 0 "[ . 1 . 2]" 2
1385 1 13 ASN HB2 1 13 ASN HD22 2.830 . 3.860 3.556 3.418 3.893 0.033 15 0 "[ . 1 . 2]" 2
1386 1 13 ASN HD22 1 117 THR HB 3.300 . 4.800 3.933 3.365 5.101 0.301 8 0 "[ . 1 . 2]" 2
1387 1 13 ASN HD21 1 116 VAL HA 3.650 . 5.500 5.374 4.430 5.615 0.115 4 0 "[ . 1 . 2]" 2
1388 1 13 ASN HD21 1 118 LEU HA 3.200 . 4.600 3.531 2.996 4.406 . 0 0 "[ . 1 . 2]" 2
1389 1 4 GLY H 1 6 TRP HE1 3.105 . 4.410 3.576 3.158 3.957 . 0 0 "[ . 1 . 2]" 2
1390 1 5 THR H 1 6 TRP HE1 3.650 . 5.500 4.718 4.521 4.936 . 0 0 "[ . 1 . 2]" 2
1391 1 2 PHE HA 1 6 TRP HE1 2.775 . 3.750 3.291 3.073 3.516 . 0 0 "[ . 1 . 2]" 2
1392 1 4 GLY HA3 1 6 TRP HE1 3.115 . 4.430 3.935 3.728 4.166 . 0 0 "[ . 1 . 2]" 2
1393 1 2 PHE HB3 1 6 TRP HE1 3.335 . 4.870 4.008 3.661 4.308 . 0 0 "[ . 1 . 2]" 2
1394 1 6 TRP HE1 1 40 ILE HB 3.225 . 4.650 4.680 4.563 4.723 0.073 5 0 "[ . 1 . 2]" 2
1395 1 6 TRP HE1 1 40 ILE MG 2.470 . 3.140 2.199 2.125 2.245 . 0 0 "[ . 1 . 2]" 2
1396 1 6 TRP HE1 1 107 MET ME 2.665 . 3.530 3.598 3.528 3.640 0.110 6 0 "[ . 1 . 2]" 2
1397 1 98 HIS H 1 98 HIS QB 2.865 . 3.910 2.427 2.342 2.577 . 0 0 "[ . 1 . 2]" 2
1398 1 97 SER QB 1 98 HIS H 2.895 . 3.990 3.385 2.859 3.790 . 0 0 "[ . 1 . 2]" 2
1399 1 97 SER HA 1 98 HIS H 2.425 . 3.050 2.156 2.121 2.228 . 0 0 "[ . 1 . 2]" 2
1400 1 98 HIS H 1 113 PHE QE 3.650 . 5.500 4.843 4.418 5.386 . 0 0 "[ . 1 . 2]" 2
1401 1 46 ASP H 1 64 LEU MD1 3.570 . 5.340 5.288 5.112 5.394 0.054 3 0 "[ . 1 . 2]" 2
1402 1 46 ASP H 1 63 THR MG 3.030 . 4.260 3.511 3.110 3.815 . 0 0 "[ . 1 . 2]" 2
1403 1 46 ASP H 1 47 PHE QD 3.415 . 5.030 3.967 3.845 4.226 . 0 0 "[ . 1 . 2]" 2
1404 1 119 ILE MG 1 121 ARG HE 3.195 . 4.590 3.224 2.479 4.636 0.046 15 0 "[ . 1 . 2]" 2
1405 1 10 ALA MB 1 121 ARG HE 2.950 . 4.100 3.124 2.322 4.173 0.073 11 0 "[ . 1 . 2]" 2
1406 1 124 ARG HE 1 124 ARG QG 2.710 . 3.620 2.608 2.401 2.956 . 0 0 "[ . 1 . 2]" 2
1407 1 124 ARG HB3 1 124 ARG HE 3.230 . 4.660 2.152 1.873 2.444 . 0 0 "[ . 1 . 2]" 2
1408 1 124 ARG HB2 1 124 ARG HE 2.720 . 3.640 3.219 2.843 3.498 . 0 0 "[ . 1 . 2]" 2
1409 1 124 ARG HE 1 125 VAL HA 3.650 . 5.500 5.369 4.729 5.581 0.081 9 0 "[ . 1 . 2]" 2
1410 1 105 ASN HA 1 124 ARG HE 3.035 . 4.270 3.966 3.485 4.294 0.024 10 0 "[ . 1 . 2]" 2
1411 1 8 VAL HB 1 120 ARG HE 3.140 . 4.480 4.156 2.292 4.594 0.114 15 0 "[ . 1 . 2]" 2
1412 1 97 SER H 1 98 HIS H 3.300 . 4.800 4.113 3.769 4.263 . 0 0 "[ . 1 . 2]" 2
1413 1 24 PRO HA 1 27 LEU QB 3.415 . 5.030 4.746 4.433 5.023 . 0 0 "[ . 1 . 2]" 2
1414 1 2 PHE HA 1 40 ILE MG 2.865 . 3.930 4.022 3.979 4.064 0.134 17 0 "[ . 1 . 2]" 2
1415 1 2 PHE HB3 1 3 SER HA 3.170 . 4.540 4.279 4.165 4.470 . 0 0 "[ . 1 . 2]" 2
1416 1 2 PHE HB2 1 3 SER HA 3.650 . 5.500 4.639 4.321 4.802 . 0 0 "[ . 1 . 2]" 2
1417 1 4 GLY HA3 1 5 THR MG 3.650 . 5.500 4.400 4.279 4.574 . 0 0 "[ . 1 . 2]" 2
1418 1 4 GLY HA3 1 124 ARG QG 3.650 . 5.500 3.916 3.523 4.266 . 0 0 "[ . 1 . 2]" 2
1419 1 4 GLY HA2 1 5 THR MG 3.650 . 5.500 3.666 3.538 3.874 . 0 0 "[ . 1 . 2]" 2
1420 1 5 THR HA 1 39 GLU HB3 3.555 . 5.310 5.279 5.101 5.377 0.067 5 0 "[ . 1 . 2]" 2
1421 1 5 THR HA 1 39 GLU HA 2.640 . 3.480 2.760 2.676 2.820 . 0 0 "[ . 1 . 2]" 2
1422 1 2 PHE HZ 1 88 LYS HA 2.940 . 4.080 2.809 2.239 3.611 . 0 0 "[ . 1 . 2]" 2
1423 1 2 PHE QE 1 88 LYS HA 3.085 . 4.370 2.979 2.359 3.565 . 0 0 "[ . 1 . 2]" 2
1424 1 6 TRP HA 1 124 ARG HA 2.735 . 3.670 2.352 2.004 2.789 . 0 0 "[ . 1 . 2]" 2
1425 1 88 LYS HA 1 88 LYS HE3 3.600 . 5.400 4.284 3.825 5.451 0.051 19 0 "[ . 1 . 2]" 2
1426 1 88 LYS HA 1 88 LYS HE2 3.600 . 5.400 4.703 3.879 5.363 . 0 0 "[ . 1 . 2]" 2
1427 1 6 TRP HA 1 7 GLN QB 2.965 . 4.130 4.058 3.979 4.310 0.180 5 0 "[ . 1 . 2]" 2
1428 1 88 LYS HA 1 88 LYS QG 2.655 . 3.510 2.764 2.285 3.422 . 0 0 "[ . 1 . 2]" 2
1429 1 88 LYS HA 1 88 LYS QD 2.455 . 3.110 2.996 2.059 4.286 1.176 4 2 "[ +. - . 2]" 2
1430 1 84 LEU QD 1 88 LYS HA 2.870 . 3.940 3.380 3.204 3.799 . 0 0 "[ . 1 . 2]" 2
1431 1 6 TRP HA 1 124 ARG QG 3.150 . 4.500 3.606 3.281 3.907 . 0 0 "[ . 1 . 2]" 2
1432 1 14 TYR HA 1 17 PHE HB3 3.040 . 4.280 3.013 2.833 3.244 . 0 0 "[ . 1 . 2]" 2
1433 1 15 GLU HA 1 18 LEU MD2 3.170 . 4.540 3.899 3.621 4.456 . 0 0 "[ . 1 . 2]" 2
1434 1 15 GLU HA 1 18 LEU HG 3.105 . 4.410 2.251 1.907 2.915 . 0 0 "[ . 1 . 2]" 2
1435 1 16 GLU HA 1 116 VAL MG1 3.650 . 5.500 4.686 4.439 5.168 . 0 0 "[ . 1 . 2]" 2
1436 1 16 GLU HA 1 116 VAL MG2 3.650 . 5.500 4.713 4.372 5.118 . 0 0 "[ . 1 . 2]" 2
1437 1 16 GLU HA 1 19 LYS QD 2.865 . 3.930 3.764 2.300 4.032 0.102 1 0 "[ . 1 . 2]" 2
1438 1 16 GLU HA 1 19 LYS QE 3.450 . 5.100 3.565 2.718 4.603 . 0 0 "[ . 1 . 2]" 2
1439 1 17 PHE HA 1 116 VAL MG1 3.105 . 4.410 2.445 2.311 2.668 . 0 0 "[ . 1 . 2]" 2
1440 1 17 PHE HA 1 116 VAL MG2 3.105 . 4.410 2.100 1.919 2.338 . 0 0 "[ . 1 . 2]" 2
1441 1 18 LEU HA 1 21 LEU MD2 3.650 . 5.500 4.611 4.335 4.983 . 0 0 "[ . 1 . 2]" 2
1442 1 18 LEU HA 1 18 LEU HG 2.760 . 3.720 3.414 3.321 3.497 . 0 0 "[ . 1 . 2]" 2
1443 1 19 LYS HA 1 28 ILE QG 3.105 . 4.410 4.329 4.130 4.488 0.078 8 0 "[ . 1 . 2]" 2
1444 1 19 LYS HA 1 19 LYS QE 3.650 . 5.500 4.392 3.821 4.702 . 0 0 "[ . 1 . 2]" 2
1445 1 20 ALA HA 1 21 LEU HG 3.650 . 5.500 4.969 4.578 5.273 . 0 0 "[ . 1 . 2]" 2
1446 1 21 LEU HA 1 21 LEU MD2 2.675 . 3.550 2.479 2.093 3.101 . 0 0 "[ . 1 . 2]" 2
1447 1 21 LEU HA 1 21 LEU MD1 3.215 . 4.630 3.889 3.734 3.992 . 0 0 "[ . 1 . 2]" 2
1448 1 23 LEU HA 1 23 LEU MD2 2.855 . 3.910 2.084 2.001 2.253 . 0 0 "[ . 1 . 2]" 2
1449 1 23 LEU HA 1 23 LEU HG 2.795 . 3.790 2.927 2.655 3.450 . 0 0 "[ . 1 . 2]" 2
1450 1 23 LEU HA 1 24 PRO QG 2.990 . 4.180 3.881 3.714 4.135 . 0 0 "[ . 1 . 2]" 2
1451 1 23 LEU HA 1 24 PRO HB3 3.650 . 5.500 5.234 4.895 5.453 . 0 0 "[ . 1 . 2]" 2
1452 1 26 ASP HA 1 29 LYS QD 2.775 . 3.750 2.678 1.956 3.787 0.037 16 0 "[ . 1 . 2]" 2
1453 1 26 ASP HA 1 29 LYS QE 3.345 . 4.890 3.985 1.958 4.827 . 0 0 "[ . 1 . 2]" 2
1454 1 27 LEU HA 1 27 LEU MD2 2.885 . 3.970 3.718 3.297 3.890 . 0 0 "[ . 1 . 2]" 2
1455 1 27 LEU HA 1 31 ALA MB 3.650 . 5.500 4.542 3.919 5.118 . 0 0 "[ . 1 . 2]" 2
1456 1 27 LEU HA 1 30 MET HG3 3.500 . 5.200 3.555 2.733 4.772 . 0 0 "[ . 1 . 2]" 2
1457 1 27 LEU HA 1 30 MET HG2 3.500 . 5.200 3.754 1.987 5.139 . 0 0 "[ . 1 . 2]" 2
1458 1 28 ILE HA 1 28 ILE MD 2.860 . 3.920 3.754 2.261 3.897 . 0 0 "[ . 1 . 2]" 2
1459 1 19 LYS QE 1 28 ILE HA 3.650 . 5.500 5.474 5.133 5.630 0.130 3 0 "[ . 1 . 2]" 2
1460 1 28 ILE MG 1 29 LYS HA 3.020 . 4.240 3.554 3.302 4.068 . 0 0 "[ . 1 . 2]" 2
1461 1 29 LYS HA 1 29 LYS HG3 2.860 . 3.920 2.886 2.518 3.174 . 0 0 "[ . 1 . 2]" 2
1462 1 29 LYS HA 1 29 LYS HG2 2.860 . 3.920 2.742 2.440 3.664 . 0 0 "[ . 1 . 2]" 2
1463 1 29 LYS HA 1 29 LYS QD 3.155 . 4.510 3.905 1.952 4.224 . 0 0 "[ . 1 . 2]" 2
1464 1 29 LYS HA 1 32 ARG QD 3.055 . 4.310 2.578 2.051 3.292 . 0 0 "[ . 1 . 2]" 2
1465 1 29 LYS HA 1 29 LYS QE 3.650 . 5.500 4.397 4.030 5.200 . 0 0 "[ . 1 . 2]" 2
1466 1 31 ALA HA 1 34 ILE HB 3.260 . 4.720 2.216 1.923 2.589 . 0 0 "[ . 1 . 2]" 2
1467 1 32 ARG HA 1 32 ARG QD 3.340 . 4.880 4.348 4.025 4.634 . 0 0 "[ . 1 . 2]" 2
1468 1 34 ILE HA 1 34 ILE HG12 2.815 . 3.830 2.451 2.221 2.686 . 0 0 "[ . 1 . 2]" 2
1469 1 34 ILE MG 1 35 LYS HA 2.895 . 3.990 3.658 3.399 3.900 . 0 0 "[ . 1 . 2]" 2
1470 1 35 LYS HA 1 35 LYS HG3 2.945 . 4.090 3.277 2.595 4.211 0.121 5 0 "[ . 1 . 2]" 2
1471 1 35 LYS HA 1 36 PRO HD3 2.695 . 3.590 2.461 2.131 2.877 . 0 0 "[ . 1 . 2]" 2
1472 1 48 VAL HA 1 61 SER QB 2.790 . 3.780 3.156 2.871 3.307 . 0 0 "[ . 1 . 2]" 2
1473 1 37 ILE HA 1 37 ILE MG 2.505 . 3.210 3.217 3.211 3.226 0.016 13 0 "[ . 1 . 2]" 2
1474 1 37 ILE HA 1 37 ILE HG13 2.745 . 3.690 3.442 3.371 3.490 . 0 0 "[ . 1 . 2]" 2
1475 1 36 PRO HB2 1 37 ILE HA 3.150 . 4.500 4.485 4.243 4.639 0.139 20 0 "[ . 1 . 2]" 2
1476 1 38 VAL HA 1 38 VAL MG2 2.550 . 3.300 2.441 2.361 2.528 . 0 0 "[ . 1 . 2]" 2
1477 1 38 VAL HA 1 38 VAL MG1 2.550 . 3.300 2.343 2.205 2.447 . 0 0 "[ . 1 . 2]" 2
1478 1 38 VAL HA 1 51 SER QB 3.565 . 5.330 5.159 4.864 5.356 0.026 3 0 "[ . 1 . 2]" 2
1479 1 38 VAL HA 1 51 SER HA 2.705 . 3.610 3.600 3.403 3.723 0.113 7 0 "[ . 1 . 2]" 2
1480 1 5 THR MG 1 39 GLU HA 2.755 . 3.710 2.334 2.118 2.466 . 0 0 "[ . 1 . 2]" 2
1481 1 39 GLU HA 1 50 THR HB 3.410 . 5.020 4.763 4.550 5.023 0.003 2 0 "[ . 1 . 2]" 2
1482 1 84 LEU QD 1 89 LEU HA 2.895 . 3.990 2.949 2.570 3.767 . 0 0 "[ . 1 . 2]" 2
1483 1 89 LEU HA 1 90 VAL QG 3.085 . 4.370 3.388 3.214 3.542 . 0 0 "[ . 1 . 2]" 2
1484 1 41 GLN HA 1 41 GLN QG 2.705 . 3.610 3.210 2.571 3.413 . 0 0 "[ . 1 . 2]" 2
1485 1 42 GLN HA 1 42 GLN HG2 2.780 . 3.760 3.821 3.639 4.077 0.317 14 0 "[ . 1 . 2]" 2
1486 1 43 LYS HA 1 43 LYS QG 2.720 . 3.640 2.432 2.124 2.786 . 0 0 "[ . 1 . 2]" 2
1487 1 45 ASP HA 1 64 LEU MD2 3.330 . 4.860 4.385 4.077 4.847 . 0 0 "[ . 1 . 2]" 2
1488 1 45 ASP HA 1 64 LEU HG 2.980 . 4.160 2.860 2.506 3.437 . 0 0 "[ . 1 . 2]" 2
1489 1 46 ASP HA 1 63 THR MG 2.885 . 3.970 2.829 2.473 3.051 . 0 0 "[ . 1 . 2]" 2
1490 1 46 ASP HA 1 63 THR HB 3.650 . 5.500 4.733 4.560 4.895 . 0 0 "[ . 1 . 2]" 2
1491 1 46 ASP HA 1 63 THR HA 2.545 . 3.290 2.116 1.956 2.281 . 0 0 "[ . 1 . 2]" 2
1492 1 71 THR HA 1 71 THR MG 2.550 . 3.300 2.304 2.234 2.368 . 0 0 "[ . 1 . 2]" 2
1493 1 71 THR HA 1 77 LYS QE 3.650 . 5.500 4.555 3.087 5.189 . 0 0 "[ . 1 . 2]" 2
1494 1 50 THR HA 1 50 THR MG 2.560 . 3.320 2.379 2.250 2.483 . 0 0 "[ . 1 . 2]" 2
1495 1 49 VAL HB 1 50 THR HA 3.335 . 4.870 4.769 4.555 4.919 0.049 7 0 "[ . 1 . 2]" 2
1496 1 50 THR HA 1 51 SER QB 3.515 . 5.230 4.578 4.378 4.663 . 0 0 "[ . 1 . 2]" 2
1497 1 50 THR HA 1 59 THR HB 3.650 . 5.500 5.178 3.919 5.558 0.058 11 0 "[ . 1 . 2]" 2
1498 1 48 VAL QG 1 61 SER HA 2.505 . 3.210 3.190 2.938 3.276 0.066 5 0 "[ . 1 . 2]" 2
1499 1 50 THR MG 1 51 SER HA 2.985 . 4.170 3.954 3.690 4.193 0.023 19 0 "[ . 1 . 2]" 2
1500 1 51 SER HA 1 52 LYS QG 3.580 . 5.360 4.136 3.434 5.495 0.135 7 0 "[ . 1 . 2]" 2
1501 1 47 PHE HB3 1 61 SER HA 3.505 . 5.210 4.820 4.630 5.193 . 0 0 "[ . 1 . 2]" 2
1502 1 51 SER HA 1 73 MET ME 3.235 . 4.670 4.275 4.004 4.545 . 0 0 "[ . 1 . 2]" 2
1503 1 48 VAL HA 1 61 SER HA 2.545 . 3.290 2.395 2.241 2.546 . 0 0 "[ . 1 . 2]" 2
1504 1 34 ILE MG 1 53 THR HA 3.100 . 4.400 4.333 3.034 4.602 0.202 3 0 "[ . 1 . 2]" 2
1505 1 53 THR HA 1 53 THR MG 2.720 . 3.640 2.534 2.468 2.634 . 0 0 "[ . 1 . 2]" 2
1506 1 36 PRO HB3 1 53 THR HA 3.590 . 5.380 4.059 3.094 5.262 . 0 0 "[ . 1 . 2]" 2
1507 1 36 PRO QG 1 53 THR HA 3.125 . 4.450 3.762 3.100 4.498 0.048 16 0 "[ . 1 . 2]" 2
1508 1 53 THR HA 1 73 MET ME 3.540 . 5.280 5.035 4.508 5.305 0.025 7 0 "[ . 1 . 2]" 2
1509 1 53 THR HA 1 54 PRO HG3 3.245 . 4.690 4.081 3.830 4.752 0.062 3 0 "[ . 1 . 2]" 2
1510 1 54 PRO HA 1 55 ARG QG 3.595 . 5.390 5.200 4.545 5.542 0.152 2 0 "[ . 1 . 2]" 2
1511 1 34 ILE MG 1 54 PRO HA 3.650 . 5.500 5.319 3.428 5.607 0.107 15 0 "[ . 1 . 2]" 2
1512 1 34 ILE MD 1 54 PRO HA 3.650 . 5.500 5.017 3.731 5.518 0.018 3 0 "[ . 1 . 2]" 2
1513 1 55 ARG HA 1 55 ARG QG 2.655 . 3.510 2.431 2.120 3.353 . 0 0 "[ . 1 . 2]" 2
1514 1 55 ARG HA 1 55 ARG QD 3.115 . 4.430 3.910 2.016 4.493 0.063 19 0 "[ . 1 . 2]" 2
1515 1 70 ILE MD 1 71 THR HA 3.100 . 4.400 3.297 3.099 3.529 . 0 0 "[ . 1 . 2]" 2
1516 1 57 THR MG 1 58 VAL HA 3.610 . 5.420 4.508 3.692 5.569 0.149 6 0 "[ . 1 . 2]" 2
1517 1 58 VAL HA 1 59 THR MG 3.650 . 5.500 5.127 3.901 5.419 . 0 0 "[ . 1 . 2]" 2
1518 1 112 THR MG 1 117 THR HA 3.050 . 4.300 2.693 2.517 2.857 . 0 0 "[ . 1 . 2]" 2
1519 1 50 THR HB 1 59 THR HA 3.650 . 5.500 5.443 5.024 5.585 0.085 8 0 "[ . 1 . 2]" 2
1520 1 60 ASN HA 1 61 SER QB 3.465 . 5.130 4.681 4.564 4.777 . 0 0 "[ . 1 . 2]" 2
1521 1 60 ASN HA 1 71 THR HB 3.650 . 5.500 5.401 5.168 5.551 0.051 20 0 "[ . 1 . 2]" 2
1522 1 59 THR MG 1 60 ASN HA 3.010 . 4.220 4.002 3.713 4.218 . 0 0 "[ . 1 . 2]" 2
1523 1 48 VAL QG 1 60 ASN HA 3.415 . 5.030 4.999 4.811 5.068 0.038 10 0 "[ . 1 . 2]" 2
1524 1 60 ASN HA 1 70 ILE HG12 3.650 . 5.500 5.494 5.241 5.601 0.101 12 0 "[ . 1 . 2]" 2
1525 1 45 ASP HB3 1 63 THR HA 3.460 . 5.120 4.064 3.792 5.221 0.101 17 0 "[ . 1 . 2]" 2
1526 1 45 ASP HB2 1 63 THR HA 3.460 . 5.120 4.424 3.557 4.726 . 0 0 "[ . 1 . 2]" 2
1527 1 63 THR HA 1 64 LEU HB2 3.350 . 4.900 4.590 4.512 4.677 . 0 0 "[ . 1 . 2]" 2
1528 1 63 THR HA 1 68 ALA MB 3.585 . 5.370 5.061 4.878 5.397 0.027 7 0 "[ . 1 . 2]" 2
1529 1 63 THR HA 1 63 THR MG 2.605 . 3.410 2.278 2.169 2.364 . 0 0 "[ . 1 . 2]" 2
1530 1 64 LEU HA 1 83 HIS HB2 3.650 . 5.500 4.757 4.364 5.044 . 0 0 "[ . 1 . 2]" 2
1531 1 70 ILE HA 1 70 ILE MG 2.520 . 3.240 2.269 2.197 2.326 . 0 0 "[ . 1 . 2]" 2
1532 1 60 ASN HA 1 70 ILE HA 3.650 . 5.500 3.685 3.420 3.894 . 0 0 "[ . 1 . 2]" 2
1533 1 71 THR MG 1 75 GLY HA3 3.245 . 4.690 4.608 4.107 4.784 0.094 2 0 "[ . 1 . 2]" 2
1534 1 13 ASN HB2 1 118 LEU HA 2.810 . 3.820 3.059 2.204 3.982 0.162 8 0 "[ . 1 . 2]" 2
1535 1 17 PHE HB2 1 118 LEU HA 3.100 . 4.400 4.199 3.958 4.471 0.071 12 0 "[ . 1 . 2]" 2
1536 1 70 ILE MD 1 79 LYS HA 3.190 . 4.580 3.895 3.342 4.215 . 0 0 "[ . 1 . 2]" 2
1537 1 70 ILE HG13 1 79 LYS HA 3.150 . 4.500 2.902 2.465 3.267 . 0 0 "[ . 1 . 2]" 2
1538 1 79 LYS HA 1 79 LYS HG2 2.860 . 3.920 3.065 2.551 3.848 . 0 0 "[ . 1 . 2]" 2
1539 1 79 LYS HA 1 79 LYS HG3 2.860 . 3.920 3.478 2.958 3.946 0.026 10 0 "[ . 1 . 2]" 2
1540 1 67 GLU QG 1 79 LYS HA 3.195 . 4.590 4.017 3.733 4.334 . 0 0 "[ . 1 . 2]" 2
1541 1 69 ASP HA 1 79 LYS HA 2.635 . 3.470 2.588 2.170 3.021 . 0 0 "[ . 1 . 2]" 2
1542 1 79 LYS QB 1 80 CYS HA 3.185 . 4.570 4.295 4.122 4.514 . 0 0 "[ . 1 . 2]" 2
1543 1 70 ILE MD 1 80 CYS HA 3.650 . 5.500 4.956 4.309 5.403 . 0 0 "[ . 1 . 2]" 2
1544 1 116 VAL HA 1 116 VAL MG2 2.615 . 3.430 2.508 2.369 2.630 . 0 0 "[ . 1 . 2]" 2
1545 1 116 VAL HA 1 116 VAL MG1 2.615 . 3.430 2.281 2.223 2.346 . 0 0 "[ . 1 . 2]" 2
1546 1 20 ALA MB 1 116 VAL HA 3.650 . 5.500 5.082 4.950 5.307 . 0 0 "[ . 1 . 2]" 2
1547 1 82 VAL HA 1 82 VAL MG1 2.740 . 3.680 2.394 2.115 3.188 . 0 0 "[ . 1 . 2]" 2
1548 1 64 LEU MD1 1 84 LEU HA 3.145 . 4.490 4.272 3.784 4.560 0.070 4 0 "[ . 1 . 2]" 2
1549 1 84 LEU HA 1 89 LEU HA 2.655 . 3.510 2.467 2.271 2.592 . 0 0 "[ . 1 . 2]" 2
1550 1 85 ALA HA 1 90 VAL QG 3.650 . 5.500 4.690 4.398 5.008 . 0 0 "[ . 1 . 2]" 2
1551 1 85 ALA MB 1 90 VAL HA 3.650 . 5.500 5.442 5.103 5.562 0.062 11 0 "[ . 1 . 2]" 2
1552 1 64 LEU MD2 1 83 HIS HA 2.725 . 3.650 2.512 2.088 2.959 . 0 0 "[ . 1 . 2]" 2
1553 1 92 LYS HA 1 98 HIS QB 3.195 . 4.590 4.336 4.217 4.428 . 0 0 "[ . 1 . 2]" 2
1554 1 96 PHE HA 1 112 THR MG 3.650 . 5.500 4.598 4.070 5.116 . 0 0 "[ . 1 . 2]" 2
1555 1 96 PHE HA 1 113 PHE HA 3.580 . 5.360 5.186 4.796 5.437 0.077 12 0 "[ . 1 . 2]" 2
1556 1 92 LYS QD 1 97 SER HA 3.255 . 4.710 4.475 3.714 4.811 0.101 10 0 "[ . 1 . 2]" 2
1557 1 90 VAL QG 1 97 SER HA 3.650 . 5.500 4.924 4.423 5.400 . 0 0 "[ . 1 . 2]" 2
1558 1 97 SER HA 1 111 ILE MG 3.650 . 5.500 5.191 4.918 5.467 . 0 0 "[ . 1 . 2]" 2
1559 1 92 LYS HA 1 97 SER HA 2.605 . 3.410 1.942 1.804 2.107 . 0 0 "[ . 1 . 2]" 2
1560 1 92 LYS QG 1 97 SER QB 2.830 . 3.860 2.018 1.859 2.234 . 0 0 "[ . 1 . 2]" 2
1561 1 92 LYS QD 1 97 SER QB 3.030 . 4.260 3.149 2.187 3.881 . 0 0 "[ . 1 . 2]" 2
1562 1 92 LYS QE 1 97 SER QB 3.335 . 4.870 3.985 2.130 4.904 0.034 14 0 "[ . 1 . 2]" 2
1563 1 102 VAL HA 1 107 MET HA 2.520 . 3.240 2.136 2.019 2.237 . 0 0 "[ . 1 . 2]" 2
1564 1 102 VAL HA 1 107 MET QB 3.140 . 4.480 3.214 2.999 3.433 . 0 0 "[ . 1 . 2]" 2
1565 1 102 VAL HA 1 107 MET QG 2.820 . 3.840 3.187 2.916 3.689 . 0 0 "[ . 1 . 2]" 2
1566 1 102 VAL MG1 1 103 LYS HA 3.650 . 5.500 3.558 3.394 3.728 . 0 0 "[ . 1 . 2]" 2
1567 1 103 LYS HA 1 103 LYS QE 3.650 . 5.500 4.442 3.884 5.064 . 0 0 "[ . 1 . 2]" 2
1568 1 102 VAL MG2 1 103 LYS HA 3.650 . 5.500 5.515 5.449 5.544 0.044 13 0 "[ . 1 . 2]" 2
1569 1 105 ASN HA 1 124 ARG QG 3.630 . 5.460 4.446 4.242 4.720 . 0 0 "[ . 1 . 2]" 2
1570 1 105 ASN HA 1 124 ARG HB3 2.950 . 4.100 3.749 3.250 4.136 0.036 17 0 "[ . 1 . 2]" 2
1571 1 105 ASN HA 1 124 ARG HB2 3.010 . 4.220 2.938 2.713 3.139 . 0 0 "[ . 1 . 2]" 2
1572 1 106 GLU HA 1 123 LYS QB 2.995 . 4.190 3.929 3.441 4.251 0.061 4 0 "[ . 1 . 2]" 2
1573 1 110 THR HA 1 111 ILE HA 3.210 . 4.620 4.399 4.383 4.419 . 0 0 "[ . 1 . 2]" 2
1574 1 112 THR HA 1 117 THR MG 2.920 . 4.040 3.769 3.327 4.427 0.387 19 0 "[ . 1 . 2]" 2
1575 1 112 THR HA 1 118 LEU HB2 3.650 . 5.500 5.384 5.080 5.539 0.039 15 0 "[ . 1 . 2]" 2
1576 1 112 THR HA 1 117 THR HA 2.565 . 3.330 2.126 1.773 2.544 0.027 6 0 "[ . 1 . 2]" 2
1577 1 112 THR MG 1 115 GLY HA3 3.430 . 5.060 4.780 4.481 4.989 . 0 0 "[ . 1 . 2]" 2
1578 1 112 THR MG 1 115 GLY HA2 3.430 . 5.060 3.490 3.181 3.729 . 0 0 "[ . 1 . 2]" 2
1579 1 67 GLU QB 1 81 THR HA 3.240 . 4.680 3.659 3.245 4.199 . 0 0 "[ . 1 . 2]" 2
1580 1 68 ALA MB 1 81 THR HA 3.650 . 5.500 4.669 4.046 5.392 . 0 0 "[ . 1 . 2]" 2
1581 1 48 VAL HA 1 49 VAL HA 3.145 . 4.490 4.410 4.388 4.423 . 0 0 "[ . 1 . 2]" 2
1582 1 48 VAL QG 1 59 THR HA 3.045 . 4.290 4.074 3.889 4.318 0.028 2 0 "[ . 1 . 2]" 2
1583 1 118 LEU HA 1 118 LEU MD1 2.525 . 3.250 2.055 1.923 2.153 . 0 0 "[ . 1 . 2]" 2
1584 1 119 ILE HA 1 119 ILE HG13 2.840 . 3.880 3.189 2.197 3.429 . 0 0 "[ . 1 . 2]" 2
1585 1 110 THR HB 1 119 ILE HA 3.580 . 5.360 5.139 4.675 5.365 0.005 8 0 "[ . 1 . 2]" 2
1586 1 110 THR HA 1 119 ILE HA 2.725 . 3.650 2.489 2.203 2.754 . 0 0 "[ . 1 . 2]" 2
1587 1 107 MET ME 1 122 SER HA 3.650 . 5.500 4.976 4.677 5.222 . 0 0 "[ . 1 . 2]" 2
1588 1 122 SER HA 1 123 LYS QG 3.275 . 4.750 3.606 3.475 3.802 . 0 0 "[ . 1 . 2]" 2
1589 1 8 VAL HB 1 122 SER HA 3.615 . 5.430 4.294 3.346 5.104 . 0 0 "[ . 1 . 2]" 2
1590 1 122 SER HA 1 123 LYS QB 3.650 . 5.500 4.409 4.215 4.601 . 0 0 "[ . 1 . 2]" 2
1591 1 6 TRP HB3 1 122 SER HA 3.640 . 5.480 4.301 3.857 4.655 . 0 0 "[ . 1 . 2]" 2
1592 1 8 VAL HA 1 122 SER HA 2.660 . 3.520 1.910 1.750 2.103 0.050 17 0 "[ . 1 . 2]" 2
1593 1 123 LYS HA 1 123 LYS QG 2.910 . 4.020 3.158 2.404 3.376 . 0 0 "[ . 1 . 2]" 2
1594 1 106 GLU HA 1 123 LYS HA 2.710 . 3.620 2.339 1.991 2.624 . 0 0 "[ . 1 . 2]" 2
1595 1 125 VAL HA 1 125 VAL MG1 2.675 . 3.550 2.579 2.214 3.214 . 0 0 "[ . 1 . 2]" 2
1596 1 125 VAL HA 1 125 VAL MG2 2.675 . 3.550 2.695 2.272 3.210 . 0 0 "[ . 1 . 2]" 2
1597 1 3 SER QB 1 41 GLN HA 2.815 . 3.830 3.276 2.785 3.870 0.040 13 0 "[ . 1 . 2]" 2
1598 1 70 ILE MD 1 72 THR HB 3.650 . 5.500 3.922 3.722 4.208 . 0 0 "[ . 1 . 2]" 2
1599 1 72 THR HB 1 76 LYS HB2 3.650 . 5.500 4.324 3.781 5.246 . 0 0 "[ . 1 . 2]" 2
1600 1 72 THR HB 1 76 LYS HB3 3.650 . 5.500 5.351 4.831 5.577 0.077 18 0 "[ . 1 . 2]" 2
1601 1 47 PHE HA 1 47 PHE QD 2.915 . 4.030 2.949 2.800 3.173 . 0 0 "[ . 1 . 2]" 2
1602 1 3 SER QB 1 42 GLN QB 3.585 . 5.370 2.800 1.844 3.724 . 0 0 "[ . 1 . 2]" 2
1603 1 1 ALA MB 1 3 SER QB 3.105 . 4.410 3.544 2.862 3.840 . 0 0 "[ . 1 . 2]" 2
1604 1 124 ARG HB3 1 125 VAL HA 3.065 . 4.330 4.358 4.168 4.587 0.257 1 0 "[ . 1 . 2]" 2
1605 1 8 VAL HA 1 122 SER HB3 3.400 . 5.000 3.383 2.343 4.286 . 0 0 "[ . 1 . 2]" 2
1606 1 8 VAL HA 1 122 SER HB2 3.400 . 5.000 3.572 2.599 4.218 . 0 0 "[ . 1 . 2]" 2
1607 1 6 TRP HA 1 122 SER HB3 3.650 . 5.500 4.554 3.994 5.236 . 0 0 "[ . 1 . 2]" 2
1608 1 6 TRP HA 1 122 SER HB2 3.650 . 5.500 5.103 4.153 5.710 0.210 10 0 "[ . 1 . 2]" 2
1609 1 6 TRP HB2 1 122 SER HB2 3.465 . 5.130 3.583 2.723 4.225 . 0 0 "[ . 1 . 2]" 2
1610 1 6 TRP HB3 1 122 SER HB2 3.220 . 4.640 2.999 1.977 3.881 . 0 0 "[ . 1 . 2]" 2
1611 1 6 TRP HB3 1 122 SER HB3 3.220 . 4.640 2.640 2.271 3.343 . 0 0 "[ . 1 . 2]" 2
1612 1 6 TRP HB2 1 122 SER HB3 3.465 . 5.130 3.218 2.501 4.050 . 0 0 "[ . 1 . 2]" 2
1613 1 107 MET QB 1 122 SER HB2 3.275 . 4.750 2.849 2.056 4.017 . 0 0 "[ . 1 . 2]" 2
1614 1 107 MET QB 1 122 SER HB3 3.275 . 4.750 3.080 1.934 4.051 . 0 0 "[ . 1 . 2]" 2
1615 1 19 LYS QB 1 19 LYS QE 2.720 . 3.640 3.571 3.481 3.732 0.092 1 0 "[ . 1 . 2]" 2
1616 1 2 PHE QE 1 101 GLU HA 3.320 . 4.840 4.325 3.751 4.751 . 0 0 "[ . 1 . 2]" 2
1617 1 2 PHE HZ 1 101 GLU HA 3.020 . 4.240 3.501 2.630 3.894 . 0 0 "[ . 1 . 2]" 2
1618 1 57 THR HA 1 73 MET ME 3.310 . 4.820 4.341 3.572 4.916 0.096 12 0 "[ . 1 . 2]" 2
1619 1 52 LYS QG 1 57 THR HA 3.430 . 5.060 4.417 3.860 5.036 . 0 0 "[ . 1 . 2]" 2
1620 1 57 THR HA 1 57 THR MG 2.670 . 3.540 2.630 2.164 3.225 . 0 0 "[ . 1 . 2]" 2
1621 1 40 ILE MD 1 47 PHE HA 3.060 . 4.320 3.892 3.617 4.306 . 0 0 "[ . 1 . 2]" 2
1622 1 46 ASP HA 1 47 PHE QD 3.585 . 5.370 3.098 2.893 3.293 . 0 0 "[ . 1 . 2]" 2
1623 1 45 ASP HA 1 64 LEU MD1 2.555 . 3.310 2.437 2.229 2.716 . 0 0 "[ . 1 . 2]" 2
1624 1 39 GLU HA 1 39 GLU HG2 2.445 . 3.090 2.724 2.560 2.857 . 0 0 "[ . 1 . 2]" 2
1625 1 37 ILE MD 1 39 GLU HA 2.430 . 3.060 2.912 2.790 3.023 . 0 0 "[ . 1 . 2]" 2
1626 1 6 TRP HZ3 1 105 ASN HA 3.440 . 5.080 3.172 2.736 3.614 . 0 0 "[ . 1 . 2]" 2
1627 1 6 TRP HE3 1 105 ASN HA 3.650 . 5.500 5.137 4.875 5.418 . 0 0 "[ . 1 . 2]" 2
1628 1 98 HIS HA 1 111 ILE MG 2.870 . 3.940 2.395 1.993 2.781 . 0 0 "[ . 1 . 2]" 2
1629 1 98 HIS HA 1 111 ILE MD 3.385 . 4.970 4.752 4.487 4.940 . 0 0 "[ . 1 . 2]" 2
1630 1 17 PHE HA 1 118 LEU HB2 3.650 . 5.500 5.021 4.751 5.405 . 0 0 "[ . 1 . 2]" 2
1631 1 14 TYR HA 1 14 TYR QD 2.435 . 3.070 2.998 2.812 3.091 0.021 4 0 "[ . 1 . 2]" 2
1632 1 14 TYR QD 1 15 GLU HB3 2.665 . 3.530 3.156 2.927 3.373 . 0 0 "[ . 1 . 2]" 2
1633 1 14 TYR QD 1 118 LEU MD2 3.135 . 4.470 2.637 2.138 3.105 . 0 0 "[ . 1 . 2]" 2
1634 1 14 TYR QD 1 118 LEU MD1 2.400 . 3.000 2.466 2.074 2.984 . 0 0 "[ . 1 . 2]" 2
1635 1 14 TYR QD 1 18 LEU MD2 2.910 . 4.020 3.682 3.462 3.854 . 0 0 "[ . 1 . 2]" 2
1636 1 14 TYR QD 1 118 LEU HG 3.155 . 4.510 4.277 4.063 4.541 0.031 11 0 "[ . 1 . 2]" 2
1637 1 14 TYR HA 1 14 TYR QE 3.345 . 4.890 4.711 4.632 4.765 . 0 0 "[ . 1 . 2]" 2
1638 1 14 TYR QE 1 32 ARG HA 2.440 . 3.080 2.722 2.094 3.090 0.010 2 0 "[ . 1 . 2]" 2
1639 1 14 TYR QE 1 18 LEU HG 2.850 . 3.900 3.945 3.885 3.982 0.082 19 0 "[ . 1 . 2]" 2
1640 1 14 TYR QE 1 31 ALA MB 2.685 . 3.570 2.327 1.963 2.987 . 0 0 "[ . 1 . 2]" 2
1641 1 14 TYR QE 1 18 LEU MD1 2.880 . 3.960 2.119 1.952 2.367 . 0 0 "[ . 1 . 2]" 2
1642 1 2 PHE QD 1 88 LYS HA 3.650 . 5.500 5.174 4.525 5.590 0.090 6 0 "[ . 1 . 2]" 2
1643 1 2 PHE HA 1 2 PHE QD 2.890 . 3.980 3.020 2.837 3.160 . 0 0 "[ . 1 . 2]" 2
1644 1 1 ALA MB 1 2 PHE QD 3.640 . 5.480 4.178 3.672 4.725 . 0 0 "[ . 1 . 2]" 2
1645 1 2 PHE QD 1 107 MET QB 3.650 . 5.500 5.410 4.795 5.576 0.076 12 0 "[ . 1 . 2]" 2
1646 1 2 PHE QD 1 89 LEU HB2 2.950 . 4.100 3.672 3.533 3.849 . 0 0 "[ . 1 . 2]" 2
1647 1 2 PHE QD 1 89 LEU HG 3.650 . 5.500 5.323 5.108 5.517 0.017 7 0 "[ . 1 . 2]" 2
1648 1 2 PHE HZ 1 84 LEU QD 3.650 . 5.500 4.004 3.053 4.712 . 0 0 "[ . 1 . 2]" 2
1649 1 2 PHE HZ 1 89 LEU HG 3.650 . 5.500 5.376 5.026 5.537 0.037 6 0 "[ . 1 . 2]" 2
1650 1 2 PHE QE 1 102 VAL HB 2.935 . 4.070 3.713 3.354 4.115 0.045 14 0 "[ . 1 . 2]" 2
1651 1 47 PHE QD 1 62 PHE HZ 3.160 . 4.520 3.303 2.826 3.971 . 0 0 "[ . 1 . 2]" 2
1652 1 47 PHE QD 1 64 LEU HG 3.110 . 4.420 3.047 2.784 3.265 . 0 0 "[ . 1 . 2]" 2
1653 1 42 GLN QB 1 47 PHE QD 2.840 . 3.880 2.907 2.719 3.238 . 0 0 "[ . 1 . 2]" 2
1654 1 40 ILE MD 1 47 PHE QD 2.680 . 3.560 1.944 1.817 2.128 . 0 0 "[ . 1 . 2]" 2
1655 1 47 PHE QD 1 64 LEU MD2 3.580 . 5.360 3.585 3.351 3.863 . 0 0 "[ . 1 . 2]" 2
1656 1 96 PHE HA 1 96 PHE QD 3.650 . 5.500 2.976 2.839 3.143 . 0 0 "[ . 1 . 2]" 2
1657 1 96 PHE QD 1 113 PHE HA 2.875 . 3.950 2.451 2.095 2.957 . 0 0 "[ . 1 . 2]" 2
1658 1 17 PHE QD 1 118 LEU MD2 2.865 . 3.930 1.967 1.772 3.247 0.028 3 0 "[ . 1 . 2]" 2
1659 1 17 PHE QD 1 18 LEU MD2 3.190 . 4.580 3.113 2.795 3.841 . 0 0 "[ . 1 . 2]" 2
1660 1 95 LYS QE 1 96 PHE QE 3.650 . 5.500 4.038 2.893 5.435 . 0 0 "[ . 1 . 2]" 2
1661 1 95 LYS QE 1 96 PHE HZ 3.650 . 5.500 4.123 3.098 5.426 . 0 0 "[ . 1 . 2]" 2
1662 1 9 TYR QD 1 122 SER HA 2.520 . 3.240 2.932 2.593 3.252 0.012 9 0 "[ . 1 . 2]" 2
1663 1 9 TYR HA 1 9 TYR QD 2.790 . 3.780 3.737 3.662 3.774 . 0 0 "[ . 1 . 2]" 2
1664 1 8 VAL HA 1 9 TYR QD 2.905 . 4.010 3.120 2.811 3.550 . 0 0 "[ . 1 . 2]" 2
1665 1 9 TYR QD 1 123 LYS QG 2.865 . 3.310 2.668 2.309 3.103 . 0 0 "[ . 1 . 2]" 2
1666 1 9 TYR QE 1 122 SER HA 2.740 . 3.680 3.394 2.958 3.729 0.049 4 0 "[ . 1 . 2]" 2
1667 1 9 TYR QE 1 106 GLU HB3 3.650 . 5.500 5.161 4.652 5.473 . 0 0 "[ . 1 . 2]" 2
1668 1 9 TYR QE 1 123 LYS QB 2.555 . 3.310 2.664 2.071 3.555 0.245 4 0 "[ . 1 . 2]" 2
1669 1 9 TYR QE 1 123 LYS QG 2.830 . 3.400 2.173 1.653 2.964 0.147 16 0 "[ . 1 . 2]" 2
1670 1 61 SER HA 1 62 PHE QD 3.650 . 5.500 3.484 3.262 3.745 . 0 0 "[ . 1 . 2]" 2
1671 1 62 PHE HA 1 62 PHE QD 2.930 . 4.060 3.729 3.697 3.742 . 0 0 "[ . 1 . 2]" 2
1672 1 62 PHE QD 1 64 LEU HA 3.650 . 5.500 3.824 3.579 4.035 . 0 0 "[ . 1 . 2]" 2
1673 1 62 PHE QD 1 64 LEU MD2 2.970 . 4.140 3.089 2.793 3.514 . 0 0 "[ . 1 . 2]" 2
1674 1 62 PHE QD 1 82 VAL MG2 2.995 . 4.190 3.128 2.658 4.084 . 0 0 "[ . 1 . 2]" 2
1675 1 47 PHE QD 1 64 LEU HB2 3.650 . 5.500 5.090 4.758 5.359 . 0 0 "[ . 1 . 2]" 2
1676 1 6 TRP HD1 1 39 GLU HA 3.285 . 4.770 4.671 4.550 4.762 . 0 0 "[ . 1 . 2]" 2
1677 1 5 THR HA 1 6 TRP HD1 2.820 . 3.840 3.447 3.386 3.491 . 0 0 "[ . 1 . 2]" 2
1678 1 5 THR HB 1 6 TRP HD1 3.650 . 5.500 5.630 5.583 5.675 0.175 20 0 "[ . 1 . 2]" 2
1679 1 6 TRP HB2 1 6 TRP HD1 2.680 . 3.560 2.727 2.677 2.772 . 0 0 "[ . 1 . 2]" 2
1680 1 6 TRP HD1 1 40 ILE HB 3.015 . 4.230 4.094 3.902 4.187 . 0 0 "[ . 1 . 2]" 2
1681 1 6 TRP HD1 1 107 MET ME 2.645 . 3.490 2.901 2.719 3.177 . 0 0 "[ . 1 . 2]" 2
1682 1 6 TRP HD1 1 40 ILE MG 2.385 . 2.970 2.263 2.122 2.374 . 0 0 "[ . 1 . 2]" 2
1683 1 6 TRP HE3 1 123 LYS HA 2.840 . 3.880 3.578 3.163 3.867 . 0 0 "[ . 1 . 2]" 2
1684 1 6 TRP HA 1 6 TRP HE3 2.815 . 3.830 3.362 3.171 3.491 . 0 0 "[ . 1 . 2]" 2
1685 1 6 TRP HB2 1 6 TRP HE3 2.945 . 4.090 4.064 4.018 4.103 0.013 20 0 "[ . 1 . 2]" 2
1686 1 6 TRP HB3 1 6 TRP HE3 2.725 . 3.650 2.510 2.457 2.549 . 0 0 "[ . 1 . 2]" 2
1687 1 6 TRP HE3 1 107 MET QB 2.905 . 4.010 2.870 2.637 3.092 . 0 0 "[ . 1 . 2]" 2
1688 1 2 PHE QE 1 89 LEU HB3 3.105 . 4.410 3.131 2.755 3.907 . 0 0 "[ . 1 . 2]" 2
1689 1 17 PHE QE 1 111 ILE MG 3.320 . 4.840 4.268 3.684 4.784 . 0 0 "[ . 1 . 2]" 2
1690 1 111 ILE MG 1 113 PHE QD 2.455 . 3.110 2.063 1.954 2.274 . 0 0 "[ . 1 . 2]" 2
1691 1 21 LEU MD2 1 113 PHE QD 3.650 . 5.500 4.079 3.352 4.833 . 0 0 "[ . 1 . 2]" 2
1692 1 111 ILE MD 1 113 PHE QD 3.650 . 5.500 4.468 4.117 4.810 . 0 0 "[ . 1 . 2]" 2
1693 1 83 HIS HE1 1 90 VAL HB 2.955 . 4.110 3.374 2.912 4.329 0.219 6 0 "[ . 1 . 2]" 2
1694 1 83 HIS HE1 1 85 ALA MB 3.020 . 4.240 2.844 2.251 4.399 0.159 6 0 "[ . 1 . 2]" 2
1695 1 83 HIS HE1 1 90 VAL QG 2.890 . 3.980 3.014 1.887 3.778 . 0 0 "[ . 1 . 2]" 2
1696 1 83 HIS HA 1 83 HIS HD2 3.650 . 5.500 4.424 4.264 4.828 . 0 0 "[ . 1 . 2]" 2
1697 1 81 THR HB 1 83 HIS HD2 3.650 . 5.500 4.914 3.551 7.278 1.778 6 1 "[ .+ 1 . 2]" 2
1698 1 83 HIS HB3 1 83 HIS HD2 2.645 . 3.490 2.959 2.802 3.568 0.078 6 0 "[ . 1 . 2]" 2
1699 1 83 HIS HD2 1 90 VAL HB 3.525 . 5.250 3.692 2.760 6.803 1.553 6 1 "[ .+ 1 . 2]" 2
1700 1 83 HIS HD2 1 90 VAL QG 2.860 . 3.920 3.793 3.304 3.974 0.054 19 0 "[ . 1 . 2]" 2
1701 1 81 THR MG 1 83 HIS HD2 3.490 . 5.180 3.797 2.881 5.337 0.157 6 0 "[ . 1 . 2]" 2
1702 1 98 HIS HD2 1 99 GLU HA 2.855 . 3.910 3.399 3.057 3.631 . 0 0 "[ . 1 . 2]" 2
1703 1 98 HIS HA 1 98 HIS HD2 3.215 . 4.630 3.291 3.055 3.532 . 0 0 "[ . 1 . 2]" 2
1704 1 98 HIS HD2 1 109 GLU HA 3.650 . 5.500 4.772 4.419 5.160 . 0 0 "[ . 1 . 2]" 2
1705 1 98 HIS HE1 1 111 ILE MD 2.845 . 3.890 2.421 2.196 2.600 . 0 0 "[ . 1 . 2]" 2
1706 1 98 HIS HE1 1 111 ILE HG12 2.845 . 3.890 3.281 3.130 3.490 . 0 0 "[ . 1 . 2]" 2
1707 1 62 PHE QE 1 82 VAL MG1 2.995 . 4.190 2.651 2.436 2.987 . 0 0 "[ . 1 . 2]" 2
1708 1 62 PHE QE 1 82 VAL MG2 2.995 . 4.190 3.230 2.368 3.443 . 0 0 "[ . 1 . 2]" 2
1709 1 62 PHE QE 1 64 LEU MD2 3.390 . 4.980 2.740 2.472 2.959 . 0 0 "[ . 1 . 2]" 2
1710 1 47 PHE HB2 1 62 PHE QE 3.475 . 5.150 2.757 2.559 2.911 . 0 0 "[ . 1 . 2]" 2
1711 1 47 PHE HB3 1 62 PHE QE 3.090 . 4.380 3.501 3.346 3.652 . 0 0 "[ . 1 . 2]" 2
1712 1 62 PHE HZ 1 82 VAL HB 3.640 . 5.480 4.913 4.288 5.548 0.068 2 0 "[ . 1 . 2]" 2
1713 1 2 PHE HA 1 6 TRP HZ2 2.870 . 3.940 2.242 2.044 2.452 . 0 0 "[ . 1 . 2]" 2
1714 1 6 TRP HZ2 1 102 VAL MG1 2.855 . 3.910 3.491 3.189 3.819 . 0 0 "[ . 1 . 2]" 2
1715 1 6 TRP HZ2 1 102 VAL MG2 2.855 . 3.910 3.169 2.692 3.366 . 0 0 "[ . 1 . 2]" 2
1716 1 6 TRP HH2 1 102 VAL MG1 2.780 . 3.760 2.158 1.994 2.278 . 0 0 "[ . 1 . 2]" 2
1717 1 6 TRP HH2 1 105 ASN HA 3.630 . 5.460 4.123 3.606 4.733 . 0 0 "[ . 1 . 2]" 2
1718 1 2 PHE QE 1 89 LEU HG 3.235 . 4.670 4.763 4.712 4.827 0.157 14 0 "[ . 1 . 2]" 2
1719 1 2 PHE QE 1 107 MET QG 3.485 . 5.170 3.852 2.699 4.400 . 0 0 "[ . 1 . 2]" 2
1720 1 93 SER HB3 1 113 PHE HZ 3.650 . 5.500 4.724 3.416 5.546 0.046 16 0 "[ . 1 . 2]" 2
1721 1 2 PHE HA 1 89 LEU QD 3.620 . 5.440 5.003 4.814 5.113 . 0 0 "[ . 1 . 2]" 2
1722 1 2 PHE HA 1 102 VAL QG 2.820 . 3.840 2.850 2.247 3.250 . 0 0 "[ . 1 . 2]" 2
1723 1 2 PHE HB2 1 102 VAL QG 3.620 . 5.440 4.568 4.150 4.985 . 0 0 "[ . 1 . 2]" 2
1724 1 2 PHE HB3 1 102 VAL QG 3.610 . 5.420 4.360 3.825 4.686 . 0 0 "[ . 1 . 2]" 2
1725 1 2 PHE QD 1 89 LEU QD 3.160 . 4.520 2.738 2.548 2.920 . 0 0 "[ . 1 . 2]" 2
1726 1 2 PHE QD 1 102 VAL QG 2.760 . 3.720 3.138 2.874 3.398 . 0 0 "[ . 1 . 2]" 2
1727 1 2 PHE QE 1 88 LYS QE 3.570 . 5.340 5.326 4.777 5.475 0.135 20 0 "[ . 1 . 2]" 2
1728 1 2 PHE QE 1 89 LEU QD 2.980 . 4.160 2.882 2.346 3.298 . 0 0 "[ . 1 . 2]" 2
1729 1 2 PHE QE 1 102 VAL QG 2.670 . 3.540 2.811 2.614 3.043 . 0 0 "[ . 1 . 2]" 2
1730 1 2 PHE HZ 1 89 LEU QD 3.620 . 5.440 3.607 2.759 4.054 . 0 0 "[ . 1 . 2]" 2
1731 1 2 PHE HZ 1 102 VAL QG 3.620 . 5.440 2.976 2.705 3.503 . 0 0 "[ . 1 . 2]" 2
1732 1 6 TRP HA 1 125 VAL QG 3.420 . 5.040 3.766 2.645 5.176 0.136 4 0 "[ . 1 . 2]" 2
1733 1 6 TRP HB2 1 8 VAL QG 3.245 . 4.690 4.226 3.602 4.804 0.114 8 0 "[ . 1 . 2]" 2
1734 1 6 TRP HB2 1 38 VAL QG 3.465 . 5.130 3.620 3.319 3.954 . 0 0 "[ . 1 . 2]" 2
1735 1 6 TRP HB3 1 8 VAL QG 3.460 . 5.120 4.632 4.074 5.225 0.105 2 0 "[ . 1 . 2]" 2
1736 1 6 TRP HB3 1 122 SER QB 2.860 . 3.920 2.351 1.963 2.979 . 0 0 "[ . 1 . 2]" 2
1737 1 6 TRP HD1 1 38 VAL QG 2.850 . 3.900 3.642 3.155 3.909 0.009 3 0 "[ . 1 . 2]" 2
1738 1 6 TRP HE3 1 122 SER QB 2.980 . 4.160 3.551 3.345 4.099 . 0 0 "[ . 1 . 2]" 2
1739 1 6 TRP HE1 1 102 VAL QG 3.335 . 4.870 4.396 4.152 4.550 . 0 0 "[ . 1 . 2]" 2
1740 1 6 TRP HZ2 1 102 VAL QG 2.555 . 3.310 2.929 2.575 3.072 . 0 0 "[ . 1 . 2]" 2
1741 1 6 TRP HH2 1 102 VAL QG 2.525 . 3.250 2.116 1.956 2.251 . 0 0 "[ . 1 . 2]" 2
1742 1 7 GLN HA 1 8 VAL QG 2.950 . 4.100 3.599 3.282 4.151 0.051 9 0 "[ . 1 . 2]" 2
1743 1 7 GLN QG 1 8 VAL H 3.080 . 4.360 3.534 2.695 4.172 . 0 0 "[ . 1 . 2]" 2
1744 1 8 VAL H 1 8 VAL QG 2.355 . 2.910 2.139 1.790 2.685 0.010 11 0 "[ . 1 . 2]" 2
1745 1 8 VAL H 1 122 SER QB 3.140 . 4.480 4.028 3.539 4.552 0.072 3 0 "[ . 1 . 2]" 2
1746 1 8 VAL HA 1 122 SER QB 3.030 . 4.260 2.792 2.325 3.135 . 0 0 "[ . 1 . 2]" 2
1747 1 8 VAL HB 1 122 SER QB 3.095 . 4.390 3.756 2.678 4.510 0.120 10 0 "[ . 1 . 2]" 2
1748 1 8 VAL QG 1 9 TYR H 2.725 . 3.650 2.427 2.071 3.297 . 0 0 "[ . 1 . 2]" 2
1749 1 8 VAL QG 1 9 TYR HA 2.940 . 4.080 3.311 3.037 4.167 0.087 19 0 "[ . 1 . 2]" 2
1750 1 8 VAL QG 1 9 TYR QD 3.540 . 5.280 4.067 3.779 4.266 . 0 0 "[ . 1 . 2]" 2
1751 1 8 VAL QG 1 35 LYS HA 3.165 . 4.530 4.051 3.274 4.624 0.094 13 0 "[ . 1 . 2]" 2
1752 1 8 VAL QG 1 120 ARG QD 2.650 . 3.500 2.767 1.965 3.657 0.157 19 0 "[ . 1 . 2]" 2
1753 1 8 VAL MG2 1 120 ARG HD2 3.785 . 5.770 3.725 2.034 5.713 . 0 0 "[ . 1 . 2]" 2
1754 1 8 VAL QG 1 120 ARG HE 2.745 . 3.690 2.447 1.776 3.205 0.024 4 0 "[ . 1 . 2]" 2
1755 1 8 VAL QG 1 121 ARG H 2.860 . 3.920 2.950 2.453 3.813 . 0 0 "[ . 1 . 2]" 2
1756 1 8 VAL QG 1 121 ARG HE 3.620 . 5.440 5.147 4.379 5.538 0.098 13 0 "[ . 1 . 2]" 2
1757 1 8 VAL QG 1 122 SER H 2.900 . 4.000 3.963 3.526 4.078 0.078 13 0 "[ . 1 . 2]" 2
1758 1 8 VAL QG 1 122 SER HA 2.965 . 4.130 3.136 2.891 3.335 . 0 0 "[ . 1 . 2]" 2
1759 1 8 VAL QG 1 122 SER QB 2.915 . 4.030 2.565 1.903 3.497 . 0 0 "[ . 1 . 2]" 2
1760 1 9 TYR H 1 121 ARG QG 3.570 . 5.340 5.088 3.085 5.557 0.217 1 0 "[ . 1 . 2]" 2
1761 1 9 TYR H 1 122 SER QB 3.190 . 4.580 4.441 4.058 4.684 0.104 17 0 "[ . 1 . 2]" 2
1762 1 9 TYR QD 1 122 SER QB 3.570 . 5.340 4.812 4.461 5.006 . 0 0 "[ . 1 . 2]" 2
1763 1 9 TYR QE 1 106 GLU QG 3.175 . 4.550 4.195 3.578 4.597 0.047 17 0 "[ . 1 . 2]" 2
1764 1 9 TYR QE 1 121 ARG QB 2.810 . 3.820 3.025 2.773 3.303 . 0 0 "[ . 1 . 2]" 2
1765 1 10 ALA MB 1 11 GLN QE 3.570 . 5.340 4.873 4.348 5.365 0.025 20 0 "[ . 1 . 2]" 2
1766 1 11 GLN QB 1 11 GLN QE 3.055 . 4.310 3.242 1.742 3.705 0.058 9 0 "[ . 1 . 2]" 2
1767 1 12 GLU H 1 12 GLU QB 2.515 . 3.230 2.455 2.114 2.689 . 0 0 "[ . 1 . 2]" 2
1768 1 12 GLU QB 1 13 ASN H 2.495 . 3.190 2.222 1.670 3.050 0.130 11 0 "[ . 1 . 2]" 2
1769 1 12 GLU QB 1 13 ASN HD21 3.255 . 4.710 3.616 3.049 4.384 . 0 0 "[ . 1 . 2]" 2
1770 1 12 GLU QB 1 119 ILE H 2.510 . 3.220 2.872 2.516 3.219 . 0 0 "[ . 1 . 2]" 2
1771 1 12 GLU QB 1 119 ILE HB 2.915 . 4.030 2.829 1.793 3.562 0.007 3 0 "[ . 1 . 2]" 2
1772 1 12 GLU QG 1 13 ASN H 3.010 . 4.220 3.317 1.749 4.594 0.374 3 0 "[ . 1 . 2]" 2
1773 1 12 GLU QG 1 13 ASN HD21 3.520 . 5.240 4.568 2.788 5.394 0.154 11 0 "[ . 1 . 2]" 2
1774 1 12 GLU QG 1 13 ASN HD22 3.570 . 5.340 4.407 2.555 5.352 0.012 3 0 "[ . 1 . 2]" 2
1775 1 13 ASN H 1 14 TYR QB 3.570 . 5.340 4.750 3.988 4.957 . 0 0 "[ . 1 . 2]" 2
1776 1 13 ASN H 1 116 VAL QG 3.540 . 5.280 4.738 4.380 5.108 . 0 0 "[ . 1 . 2]" 2
1777 1 13 ASN HB2 1 16 GLU QB 3.570 . 5.340 3.959 2.558 5.046 . 0 0 "[ . 1 . 2]" 2
1778 1 13 ASN HB2 1 116 VAL QG 3.095 . 4.390 2.488 2.030 2.997 . 0 0 "[ . 1 . 2]" 2
1779 1 13 ASN HB3 1 16 GLU QB 2.810 . 3.820 3.223 2.094 3.681 . 0 0 "[ . 1 . 2]" 2
1780 1 13 ASN HB3 1 116 VAL QG 2.855 . 3.910 2.459 1.753 3.266 0.047 4 0 "[ . 1 . 2]" 2
1781 1 13 ASN HD21 1 116 VAL QG 2.980 . 4.160 3.591 2.908 3.937 . 0 0 "[ . 1 . 2]" 2
1782 1 13 ASN HD22 1 116 VAL QG 3.370 . 4.940 4.227 3.439 4.689 . 0 0 "[ . 1 . 2]" 2
1783 1 13 ASN HD22 1 119 ILE QG 3.570 . 5.340 3.895 2.436 5.419 0.079 10 0 "[ . 1 . 2]" 2
1784 1 14 TYR H 1 15 GLU QG 3.570 . 5.340 3.796 3.273 4.568 . 0 0 "[ . 1 . 2]" 2
1785 1 14 TYR QB 1 15 GLU H 2.510 . 3.220 2.129 2.032 2.258 . 0 0 "[ . 1 . 2]" 2
1786 1 14 TYR QB 1 16 GLU H 3.440 . 5.080 4.331 4.197 4.533 . 0 0 "[ . 1 . 2]" 2
1787 1 14 TYR QB 1 17 PHE H 3.570 . 5.340 4.935 4.823 5.067 . 0 0 "[ . 1 . 2]" 2
1788 1 14 TYR QB 1 118 LEU MD1 2.615 . 3.430 2.593 2.430 2.805 . 0 0 "[ . 1 . 2]" 2
1789 1 14 TYR QD 1 15 GLU QG 3.130 . 4.460 4.242 3.817 4.540 0.080 12 0 "[ . 1 . 2]" 2
1790 1 15 GLU H 1 15 GLU QG 2.505 . 3.210 2.145 1.803 2.756 . 0 0 "[ . 1 . 2]" 2
1791 1 15 GLU HA 1 15 GLU QG 2.600 . 3.400 3.351 3.290 3.443 0.043 18 0 "[ . 1 . 2]" 2
1792 1 15 GLU HA 1 18 LEU QB 2.920 . 4.040 3.057 2.759 3.556 . 0 0 "[ . 1 . 2]" 2
1793 1 15 GLU QG 1 16 GLU H 2.615 . 3.430 2.347 1.857 2.730 . 0 0 "[ . 1 . 2]" 2
1794 1 16 GLU H 1 16 GLU QB 2.290 . 2.780 2.242 2.120 2.347 . 0 0 "[ . 1 . 2]" 2
1795 1 16 GLU H 1 116 VAL QG 3.255 . 4.710 4.182 3.964 4.701 . 0 0 "[ . 1 . 2]" 2
1796 1 16 GLU HA 1 16 GLU QG 2.575 . 3.350 2.417 2.062 3.112 . 0 0 "[ . 1 . 2]" 2
1797 1 16 GLU HA 1 116 VAL QG 3.225 . 4.650 4.181 3.968 4.574 . 0 0 "[ . 1 . 2]" 2
1798 1 16 GLU QB 1 17 PHE H 2.590 . 3.380 2.738 2.556 2.952 . 0 0 "[ . 1 . 2]" 2
1799 1 16 GLU QG 1 17 PHE H 3.570 . 5.340 4.095 3.428 4.493 . 0 0 "[ . 1 . 2]" 2
1800 1 16 GLU QG 1 19 LYS H 3.570 . 5.340 5.077 4.636 5.499 0.159 1 0 "[ . 1 . 2]" 2
1801 1 16 GLU QG 1 19 LYS HG2 3.570 . 5.340 5.317 4.720 5.443 0.103 4 0 "[ . 1 . 2]" 2
1802 1 16 GLU QG 1 19 LYS HG3 3.160 . 4.520 3.903 3.593 4.333 . 0 0 "[ . 1 . 2]" 2
1803 1 17 PHE H 1 116 VAL QG 2.685 . 3.570 2.782 2.621 3.221 . 0 0 "[ . 1 . 2]" 2
1804 1 17 PHE HA 1 116 VAL QG 2.630 . 3.460 1.979 1.860 2.125 . 0 0 "[ . 1 . 2]" 2
1805 1 17 PHE HB2 1 116 VAL QG 2.905 . 4.010 2.064 1.920 2.261 . 0 0 "[ . 1 . 2]" 2
1806 1 17 PHE QD 1 116 VAL QG 2.740 . 3.680 2.588 2.268 2.770 . 0 0 "[ . 1 . 2]" 2
1807 1 18 LEU H 1 18 LEU QB 2.440 . 3.080 2.579 2.509 2.658 . 0 0 "[ . 1 . 2]" 2
1808 1 18 LEU HA 1 23 LEU QD 2.885 . 3.970 2.109 1.866 2.691 . 0 0 "[ . 1 . 2]" 2
1809 1 18 LEU QB 1 18 LEU MD2 2.435 . 3.070 2.426 2.376 2.493 . 0 0 "[ . 1 . 2]" 2
1810 1 18 LEU QB 1 19 LYS H 2.905 . 4.010 2.653 2.489 2.785 . 0 0 "[ . 1 . 2]" 2
1811 1 18 LEU QB 1 19 LYS HA 3.470 . 5.140 3.869 3.810 3.896 . 0 0 "[ . 1 . 2]" 2
1812 1 18 LEU QB 1 23 LEU QD 2.740 . 3.680 2.345 2.206 2.733 . 0 0 "[ . 1 . 2]" 2
1813 1 18 LEU QB 1 28 ILE H 3.570 . 5.340 4.867 4.756 5.001 . 0 0 "[ . 1 . 2]" 2
1814 1 18 LEU QB 1 28 ILE HA 3.570 . 5.340 3.495 3.315 3.700 . 0 0 "[ . 1 . 2]" 2
1815 1 18 LEU QB 1 28 ILE MG 2.590 . 3.380 2.175 1.953 2.479 . 0 0 "[ . 1 . 2]" 2
1816 1 18 LEU QB 1 28 ILE QG 2.570 . 3.340 1.948 1.784 3.461 0.121 4 0 "[ . 1 . 2]" 2
1817 1 18 LEU QB 1 28 ILE MD 2.830 . 3.860 2.352 1.787 2.663 0.013 4 0 "[ . 1 . 2]" 2
1818 1 19 LYS HA 1 23 LEU QD 3.620 . 5.440 4.701 4.517 4.882 . 0 0 "[ . 1 . 2]" 2
1819 1 20 ALA H 1 116 VAL QG 2.955 . 4.110 3.695 3.523 3.883 . 0 0 "[ . 1 . 2]" 2
1820 1 20 ALA HA 1 116 VAL QG 3.430 . 5.060 4.241 3.946 4.489 . 0 0 "[ . 1 . 2]" 2
1821 1 20 ALA MB 1 116 VAL QG 2.450 . 3.100 2.107 1.932 2.309 . 0 0 "[ . 1 . 2]" 2
1822 1 21 LEU H 1 23 LEU QD 2.850 . 3.900 3.821 3.671 3.941 0.041 20 0 "[ . 1 . 2]" 2
1823 1 21 LEU HA 1 23 LEU QD 3.620 . 5.440 4.503 4.065 4.642 . 0 0 "[ . 1 . 2]" 2
1824 1 21 LEU HB2 1 23 LEU QD 2.815 . 3.830 2.339 2.048 2.500 . 0 0 "[ . 1 . 2]" 2
1825 1 21 LEU HB3 1 23 LEU QD 2.795 . 3.790 3.025 2.659 3.185 . 0 0 "[ . 1 . 2]" 2
1826 1 21 LEU MD2 1 23 LEU QD 2.830 . 3.860 3.619 2.771 3.909 0.049 9 0 "[ . 1 . 2]" 2
1827 1 22 ALA H 1 23 LEU QD 3.170 . 4.540 4.538 4.020 4.644 0.104 6 0 "[ . 1 . 2]" 2
1828 1 23 LEU H 1 23 LEU QD 2.685 . 3.570 3.224 2.725 3.324 . 0 0 "[ . 1 . 2]" 2
1829 1 23 LEU HA 1 23 LEU QD 2.365 . 2.930 2.075 1.995 2.239 . 0 0 "[ . 1 . 2]" 2
1830 1 23 LEU HA 1 27 LEU QD 3.620 . 5.440 4.885 3.924 5.395 . 0 0 "[ . 1 . 2]" 2
1831 1 23 LEU QD 1 24 PRO QG 3.065 . 4.330 3.785 3.515 4.159 . 0 0 "[ . 1 . 2]" 2
1832 1 23 LEU QD 1 24 PRO HD2 2.565 . 3.330 2.752 2.207 3.297 . 0 0 "[ . 1 . 2]" 2
1833 1 23 LEU QD 1 24 PRO HD3 2.635 . 3.470 2.660 2.311 3.176 . 0 0 "[ . 1 . 2]" 2
1834 1 23 LEU QD 1 74 ASP HA 3.075 . 4.350 3.184 2.835 4.046 . 0 0 "[ . 1 . 2]" 2
1835 1 23 LEU QD 1 74 ASP QB 2.870 . 3.940 2.692 2.214 3.562 . 0 0 "[ . 1 . 2]" 2
1836 1 24 PRO QG 1 27 LEU QD 2.875 . 3.950 2.771 2.342 3.130 . 0 0 "[ . 1 . 2]" 2
1837 1 24 PRO HD2 1 27 LEU QD 2.725 . 3.650 2.807 2.009 3.481 . 0 0 "[ . 1 . 2]" 2
1838 1 25 GLU H 1 25 GLU QB 2.375 . 2.950 2.335 2.099 2.664 . 0 0 "[ . 1 . 2]" 2
1839 1 25 GLU H 1 25 GLU QG 2.810 . 3.820 2.845 2.178 3.971 0.151 8 0 "[ . 1 . 2]" 2
1840 1 25 GLU QB 1 26 ASP H 2.540 . 3.280 2.741 2.522 3.016 . 0 0 "[ . 1 . 2]" 2
1841 1 25 GLU QG 1 26 ASP H 3.215 . 4.630 4.200 3.518 4.615 . 0 0 "[ . 1 . 2]" 2
1842 1 26 ASP H 1 26 ASP QB 2.405 . 3.010 2.271 2.149 2.484 . 0 0 "[ . 1 . 2]" 2
1843 1 26 ASP HA 1 29 LYS QG 3.570 . 5.340 3.511 2.839 4.273 . 0 0 "[ . 1 . 2]" 2
1844 1 26 ASP QB 1 27 LEU H 2.625 . 3.450 2.673 2.292 3.489 0.039 7 0 "[ . 1 . 2]" 2
1845 1 27 LEU H 1 27 LEU QD 3.005 . 4.210 3.654 3.436 3.750 . 0 0 "[ . 1 . 2]" 2
1846 1 27 LEU HA 1 27 LEU QD 2.600 . 3.400 2.669 2.367 3.109 . 0 0 "[ . 1 . 2]" 2
1847 1 27 LEU HA 1 30 MET QB 3.060 . 4.320 3.316 2.568 4.372 0.052 3 0 "[ . 1 . 2]" 2
1848 1 27 LEU HA 1 30 MET QG 3.125 . 4.450 3.076 1.974 4.137 . 0 0 "[ . 1 . 2]" 2
1849 1 27 LEU HG 1 54 PRO QB 3.570 . 5.340 5.420 5.329 5.487 0.147 4 0 "[ . 1 . 2]" 2
1850 1 27 LEU QD 1 30 MET H 3.230 . 4.660 4.652 4.197 4.794 0.134 5 0 "[ . 1 . 2]" 2
1851 1 27 LEU QD 1 30 MET QG 3.165 . 4.530 4.123 3.141 4.637 0.107 4 0 "[ . 1 . 2]" 2
1852 1 27 LEU QD 1 31 ALA H 3.135 . 4.470 4.074 3.201 4.554 0.084 13 0 "[ . 1 . 2]" 2
1853 1 27 LEU QD 1 54 PRO QB 3.260 . 4.720 3.847 3.580 4.295 . 0 0 "[ . 1 . 2]" 2
1854 1 27 LEU QD 1 54 PRO QG 3.020 . 4.240 3.787 2.016 4.348 0.108 7 0 "[ . 1 . 2]" 2
1855 1 27 LEU QD 1 54 PRO HD2 2.825 . 3.850 3.742 2.417 4.017 0.167 9 0 "[ . 1 . 2]" 2
1856 1 29 LYS H 1 29 LYS QG 2.445 . 3.090 2.506 2.103 3.403 0.313 16 0 "[ . 1 . 2]" 2
1857 1 29 LYS H 1 30 MET QG 3.120 . 4.440 4.056 3.561 4.629 0.189 1 0 "[ . 1 . 2]" 2
1858 1 29 LYS HA 1 32 ARG QB 2.740 . 3.680 3.657 3.363 3.793 0.113 12 0 "[ . 1 . 2]" 2
1859 1 29 LYS HA 1 32 ARG QG 2.900 . 4.000 3.128 2.128 3.789 . 0 0 "[ . 1 . 2]" 2
1860 1 29 LYS QG 1 30 MET H 3.150 . 4.500 4.272 3.980 4.672 0.172 16 0 "[ . 1 . 2]" 2
1861 1 29 LYS QG 1 32 ARG QD 2.985 . 4.170 3.927 3.401 4.224 0.054 3 0 "[ . 1 . 2]" 2
1862 1 30 MET H 1 30 MET QB 2.375 . 2.950 2.577 2.298 2.916 . 0 0 "[ . 1 . 2]" 2
1863 1 30 MET H 1 32 ARG QG 3.570 . 5.340 4.402 3.948 5.194 . 0 0 "[ . 1 . 2]" 2
1864 1 30 MET QB 1 31 ALA H 2.620 . 3.440 2.684 2.285 3.491 0.051 18 0 "[ . 1 . 2]" 2
1865 1 30 MET QB 1 34 ILE MD 2.535 . 3.270 2.672 2.076 3.344 0.074 5 0 "[ . 1 . 2]" 2
1866 1 31 ALA H 1 32 ARG QB 3.465 . 5.130 4.746 4.571 4.947 . 0 0 "[ . 1 . 2]" 2
1867 1 32 ARG H 1 32 ARG QB 2.420 . 3.040 2.389 2.275 2.584 . 0 0 "[ . 1 . 2]" 2
1868 1 32 ARG H 1 32 ARG QG 2.725 . 3.650 2.365 2.180 2.569 . 0 0 "[ . 1 . 2]" 2
1869 1 32 ARG HA 1 32 ARG QG 2.690 . 3.580 3.194 2.373 3.367 . 0 0 "[ . 1 . 2]" 2
1870 1 33 ASP H 1 33 ASP QB 2.655 . 3.510 2.424 2.318 2.559 . 0 0 "[ . 1 . 2]" 2
1871 1 33 ASP QB 1 34 ILE H 2.805 . 3.810 3.112 2.622 3.663 . 0 0 "[ . 1 . 2]" 2
1872 1 33 ASP QB 1 34 ILE HB 3.570 . 5.340 5.113 4.928 5.334 . 0 0 "[ . 1 . 2]" 2
1873 1 33 ASP QB 1 34 ILE MD 3.410 . 5.020 4.664 4.423 4.996 . 0 0 "[ . 1 . 2]" 2
1874 1 34 ILE HA 1 35 LYS QG 2.835 . 3.870 3.765 3.501 3.926 0.056 18 0 "[ . 1 . 2]" 2
1875 1 34 ILE MD 1 54 PRO QB 3.245 . 4.690 3.273 2.004 3.730 . 0 0 "[ . 1 . 2]" 2
1876 1 35 LYS H 1 35 LYS QB 2.640 . 3.480 2.733 2.524 3.144 . 0 0 "[ . 1 . 2]" 2
1877 1 35 LYS H 1 35 LYS QG 2.940 . 4.080 2.676 1.928 3.182 . 0 0 "[ . 1 . 2]" 2
1878 1 35 LYS HA 1 35 LYS QG 2.690 . 3.580 2.777 2.385 3.399 . 0 0 "[ . 1 . 2]" 2
1879 1 35 LYS QB 1 36 PRO QD 3.095 . 4.390 3.662 3.525 3.777 . 0 0 "[ . 1 . 2]" 2
1880 1 38 VAL H 1 38 VAL QG 2.540 . 3.280 2.309 2.101 2.499 . 0 0 "[ . 1 . 2]" 2
1881 1 38 VAL HA 1 38 VAL QG 2.295 . 2.790 2.124 2.072 2.149 . 0 0 "[ . 1 . 2]" 2
1882 1 38 VAL QG 1 39 GLU H 2.450 . 3.100 3.023 2.894 3.133 0.033 15 0 "[ . 1 . 2]" 2
1883 1 38 VAL QG 1 50 THR H 2.875 . 3.950 3.812 3.518 3.969 0.019 10 0 "[ . 1 . 2]" 2
1884 1 38 VAL QG 1 51 SER HA 2.705 . 3.610 3.330 2.932 3.632 0.022 1 0 "[ . 1 . 2]" 2
1885 1 41 GLN H 1 41 GLN QB 2.575 . 3.350 2.999 2.655 3.171 . 0 0 "[ . 1 . 2]" 2
1886 1 41 GLN QB 1 41 GLN QE 3.045 . 4.290 2.934 1.790 3.484 0.010 11 0 "[ . 1 . 2]" 2
1887 1 41 GLN QB 1 42 GLN H 2.655 . 3.510 2.940 2.777 3.324 . 0 0 "[ . 1 . 2]" 2
1888 1 41 GLN QB 1 48 VAL H 3.570 . 5.340 4.551 3.344 5.014 . 0 0 "[ . 1 . 2]" 2
1889 1 42 GLN QE 1 42 GLN HG2 2.635 . 3.470 2.829 2.167 3.280 . 0 0 "[ . 1 . 2]" 2
1890 1 42 GLN QE 1 42 GLN HG3 2.515 . 3.230 2.435 2.159 3.232 0.002 16 0 "[ . 1 . 2]" 2
1891 1 42 GLN QE 1 43 LYS H 3.285 . 4.770 4.094 3.669 4.799 0.029 16 0 "[ . 1 . 2]" 2
1892 1 43 LYS H 1 43 LYS QB 2.610 . 3.420 2.785 2.578 2.984 . 0 0 "[ . 1 . 2]" 2
1893 1 43 LYS H 1 46 ASP QB 3.350 . 4.900 3.972 3.550 4.693 . 0 0 "[ . 1 . 2]" 2
1894 1 43 LYS QB 1 43 LYS QE 3.095 . 4.390 2.910 1.864 3.716 . 0 0 "[ . 1 . 2]" 2
1895 1 44 GLY QA 1 45 ASP HA 3.005 . 4.210 3.967 3.934 4.010 . 0 0 "[ . 1 . 2]" 2
1896 1 45 ASP H 1 45 ASP QB 2.420 . 3.040 2.590 2.434 3.170 0.130 5 0 "[ . 1 . 2]" 2
1897 1 45 ASP H 1 46 ASP QB 3.120 . 4.440 3.830 3.536 4.220 . 0 0 "[ . 1 . 2]" 2
1898 1 45 ASP QB 1 46 ASP H 2.655 . 3.510 3.106 2.679 3.590 0.080 5 0 "[ . 1 . 2]" 2
1899 1 45 ASP QB 1 63 THR HB 3.570 . 5.340 4.544 4.331 4.792 . 0 0 "[ . 1 . 2]" 2
1900 1 45 ASP QB 1 63 THR MG 2.495 . 3.190 2.191 2.029 2.437 . 0 0 "[ . 1 . 2]" 2
1901 1 45 ASP QB 1 64 LEU H 2.560 . 3.320 2.570 2.390 2.697 . 0 0 "[ . 1 . 2]" 2
1902 1 45 ASP QB 1 64 LEU HA 3.475 . 5.150 4.572 4.424 4.754 . 0 0 "[ . 1 . 2]" 2
1903 1 45 ASP QB 1 64 LEU HB3 3.170 . 4.540 3.999 3.747 4.339 . 0 0 "[ . 1 . 2]" 2
1904 1 45 ASP QB 1 64 LEU HG 3.570 . 5.340 3.540 3.301 3.782 . 0 0 "[ . 1 . 2]" 2
1905 1 45 ASP QB 1 64 LEU MD1 2.910 . 4.020 3.565 3.239 3.849 . 0 0 "[ . 1 . 2]" 2
1906 1 45 ASP QB 1 64 LEU MD2 3.355 . 4.910 4.591 4.422 4.764 . 0 0 "[ . 1 . 2]" 2
1907 1 46 ASP H 1 46 ASP QB 2.340 . 2.880 2.336 2.178 2.638 . 0 0 "[ . 1 . 2]" 2
1908 1 46 ASP QB 1 47 PHE H 2.760 . 3.720 3.316 2.960 3.742 0.022 17 0 "[ . 1 . 2]" 2
1909 1 46 ASP QB 1 62 PHE H 3.415 . 5.030 4.806 4.334 5.223 0.193 7 0 "[ . 1 . 2]" 2
1910 1 46 ASP QB 1 63 THR HA 3.100 . 4.400 4.010 3.518 4.399 . 0 0 "[ . 1 . 2]" 2
1911 1 47 PHE HB2 1 49 VAL QG 3.120 . 4.440 3.854 3.622 4.054 . 0 0 "[ . 1 . 2]" 2
1912 1 47 PHE HB3 1 49 VAL QG 2.695 . 3.590 3.021 2.918 3.115 . 0 0 "[ . 1 . 2]" 2
1913 1 47 PHE QD 1 49 VAL QG 3.180 . 4.560 3.614 3.419 3.957 . 0 0 "[ . 1 . 2]" 2
1914 1 47 PHE QD 1 89 LEU QD 3.190 . 4.580 3.202 2.946 3.599 . 0 0 "[ . 1 . 2]" 2
1915 1 48 VAL H 1 49 VAL QG 2.795 . 3.790 3.796 3.694 3.861 0.071 19 0 "[ . 1 . 2]" 2
1916 1 49 VAL H 1 49 VAL QG 2.500 . 3.200 2.255 2.048 2.515 . 0 0 "[ . 1 . 2]" 2
1917 1 49 VAL QG 1 50 THR H 2.745 . 3.690 2.622 2.435 2.895 . 0 0 "[ . 1 . 2]" 2
1918 1 49 VAL QG 1 60 ASN QB 3.255 . 4.710 3.074 2.821 3.385 . 0 0 "[ . 1 . 2]" 2
1919 1 49 VAL QG 1 62 PHE QD 3.620 . 5.440 3.682 3.515 4.082 . 0 0 "[ . 1 . 2]" 2
1920 1 49 VAL QG 1 62 PHE QE 2.575 . 3.350 2.024 1.855 2.435 . 0 0 "[ . 1 . 2]" 2
1921 1 51 SER H 1 51 SER QB 2.685 . 3.570 2.634 2.482 2.716 . 0 0 "[ . 1 . 2]" 2
1922 1 51 SER H 1 58 VAL QG 3.150 . 4.500 3.084 2.635 4.220 . 0 0 "[ . 1 . 2]" 2
1923 1 51 SER QB 1 52 LYS H 2.700 . 3.600 3.425 2.970 3.660 0.060 14 0 "[ . 1 . 2]" 2
1924 1 51 SER QB 1 53 THR MG 3.100 . 4.400 3.139 2.963 3.464 . 0 0 "[ . 1 . 2]" 2
1925 1 51 SER QB 1 58 VAL H 3.165 . 4.530 3.004 2.546 3.446 . 0 0 "[ . 1 . 2]" 2
1926 1 51 SER QB 1 58 VAL HB 3.440 . 5.080 4.567 2.895 4.976 . 0 0 "[ . 1 . 2]" 2
1927 1 51 SER QB 1 58 VAL QG 2.650 . 3.500 2.115 1.851 3.529 0.029 3 0 "[ . 1 . 2]" 2
1928 1 51 SER QB 1 73 MET ME 2.555 . 3.310 2.074 1.854 2.366 . 0 0 "[ . 1 . 2]" 2
1929 1 52 LYS H 1 52 LYS QB 2.450 . 3.100 2.401 2.211 2.694 . 0 0 "[ . 1 . 2]" 2
1930 1 52 LYS QB 1 52 LYS QE 3.150 . 4.500 2.870 1.921 3.773 . 0 0 "[ . 1 . 2]" 2
1931 1 52 LYS QB 1 53 THR H 2.770 . 3.740 3.255 2.802 3.677 . 0 0 "[ . 1 . 2]" 2
1932 1 53 THR H 1 58 VAL QG 3.620 . 5.440 5.032 4.583 5.466 0.026 3 0 "[ . 1 . 2]" 2
1933 1 54 PRO QB 1 55 ARG QG 3.570 . 5.340 3.782 3.106 4.648 . 0 0 "[ . 1 . 2]" 2
1934 1 54 PRO QG 1 55 ARG H 3.270 . 4.740 4.028 2.050 4.628 . 0 0 "[ . 1 . 2]" 2
1935 1 54 PRO HD2 1 55 ARG QB 3.405 . 5.010 4.003 3.450 4.684 . 0 0 "[ . 1 . 2]" 2
1936 1 55 ARG H 1 55 ARG QB 2.525 . 3.250 2.531 2.159 3.188 . 0 0 "[ . 1 . 2]" 2
1937 1 55 ARG QB 1 55 ARG QD 2.635 . 3.470 2.232 2.056 2.408 . 0 0 "[ . 1 . 2]" 2
1938 1 56 GLN H 1 56 GLN QG 3.340 . 4.880 4.138 3.206 4.271 . 0 0 "[ . 1 . 2]" 2
1939 1 56 GLN QB 1 57 THR HA 3.315 . 4.830 4.752 4.599 4.879 0.049 12 0 "[ . 1 . 2]" 2
1940 1 56 GLN QG 1 57 THR H 2.650 . 3.500 2.784 2.317 3.549 0.049 20 0 "[ . 1 . 2]" 2
1941 1 57 THR HA 1 58 VAL QG 2.745 . 3.690 3.398 3.268 3.702 0.012 3 0 "[ . 1 . 2]" 2
1942 1 58 VAL H 1 58 VAL QG 2.555 . 3.310 1.996 1.799 2.676 0.001 9 0 "[ . 1 . 2]" 2
1943 1 58 VAL QG 1 59 THR H 2.905 . 4.010 3.133 2.185 3.376 . 0 0 "[ . 1 . 2]" 2
1944 1 58 VAL QG 1 73 MET HA 2.660 . 3.520 2.336 1.936 3.293 . 0 0 "[ . 1 . 2]" 2
1945 1 58 VAL QG 1 73 MET QB 3.205 . 4.610 2.621 1.953 4.073 . 0 0 "[ . 1 . 2]" 2
1946 1 58 VAL QG 1 73 MET ME 2.435 . 3.070 2.061 1.765 2.701 0.035 16 0 "[ . 1 . 2]" 2
1947 1 60 ASN QB 1 61 SER H 2.610 . 3.420 3.303 3.131 3.422 0.002 8 0 "[ . 1 . 2]" 2
1948 1 60 ASN QB 1 70 ILE HA 3.570 . 5.340 4.482 4.253 4.876 . 0 0 "[ . 1 . 2]" 2
1949 1 60 ASN QB 1 70 ILE MG 2.660 . 3.520 2.275 2.079 2.658 . 0 0 "[ . 1 . 2]" 2
1950 1 60 ASN QB 1 70 ILE MD 3.100 . 4.400 3.898 3.678 4.160 . 0 0 "[ . 1 . 2]" 2
1951 1 60 ASN QB 1 71 THR H 3.380 . 4.960 4.180 3.949 4.507 . 0 0 "[ . 1 . 2]" 2
1952 1 62 PHE QD 1 82 VAL QG 2.680 . 3.560 2.677 2.143 2.946 . 0 0 "[ . 1 . 2]" 2
1953 1 62 PHE QE 1 82 VAL QG 2.640 . 3.480 2.515 2.282 2.651 . 0 0 "[ . 1 . 2]" 2
1954 1 62 PHE HZ 1 82 VAL QG 2.815 . 3.830 3.161 2.791 3.612 . 0 0 "[ . 1 . 2]" 2
1955 1 62 PHE HZ 1 89 LEU QD 3.005 . 4.210 2.730 2.252 3.156 . 0 0 "[ . 1 . 2]" 2
1956 1 63 THR H 1 66 LYS QB 3.355 . 4.910 3.581 3.239 3.841 . 0 0 "[ . 1 . 2]" 2
1957 1 63 THR HB 1 66 LYS QB 2.475 . 3.150 2.020 1.897 2.285 . 0 0 "[ . 1 . 2]" 2
1958 1 64 LEU H 1 89 LEU QD 3.620 . 5.440 5.219 5.002 5.417 . 0 0 "[ . 1 . 2]" 2
1959 1 64 LEU HA 1 82 VAL QG 2.865 . 3.930 3.708 2.492 4.090 0.160 6 0 "[ . 1 . 2]" 2
1960 1 64 LEU MD1 1 89 LEU QD 2.850 . 3.900 2.988 2.100 3.495 . 0 0 "[ . 1 . 2]" 2
1961 1 64 LEU MD2 1 89 LEU QD 2.730 . 3.660 1.873 1.784 1.990 0.016 6 0 "[ . 1 . 2]" 2
1962 1 65 GLY QA 1 66 LYS HG3 3.570 . 5.340 4.048 3.602 4.875 . 0 0 "[ . 1 . 2]" 2
1963 1 66 LYS H 1 66 LYS QB 2.565 . 3.330 2.532 2.420 2.601 . 0 0 "[ . 1 . 2]" 2
1964 1 67 GLU H 1 67 GLU QG 3.445 . 5.090 3.980 3.957 4.004 . 0 0 "[ . 1 . 2]" 2
1965 1 67 GLU HA 1 67 GLU QG 2.730 . 3.660 2.476 2.299 2.614 . 0 0 "[ . 1 . 2]" 2
1966 1 67 GLU QG 1 68 ALA H 2.460 . 3.120 2.728 2.391 3.062 . 0 0 "[ . 1 . 2]" 2
1967 1 67 GLU QG 1 81 THR HA 2.915 . 4.030 3.571 3.125 4.008 . 0 0 "[ . 1 . 2]" 2
1968 1 68 ALA MB 1 82 VAL QG 3.335 . 4.870 3.874 2.967 4.396 . 0 0 "[ . 1 . 2]" 2
1969 1 69 ASP H 1 69 ASP QB 2.380 . 2.960 2.307 2.101 2.660 . 0 0 "[ . 1 . 2]" 2
1970 1 69 ASP QB 1 70 ILE H 2.720 . 3.640 3.653 3.143 3.950 0.310 7 0 "[ . 1 . 2]" 2
1971 1 69 ASP QB 1 70 ILE HA 3.570 . 5.340 4.523 4.218 4.787 . 0 0 "[ . 1 . 2]" 2
1972 1 71 THR MG 1 75 GLY QA 2.810 . 3.820 3.141 2.671 3.295 . 0 0 "[ . 1 . 2]" 2
1973 1 72 THR MG 1 78 LEU QD 2.705 . 3.610 2.537 2.062 2.925 . 0 0 "[ . 1 . 2]" 2
1974 1 73 MET QB 1 73 MET ME 2.440 . 3.080 2.079 1.822 3.141 0.061 7 0 "[ . 1 . 2]" 2
1975 1 74 ASP H 1 74 ASP QB 2.650 . 3.500 2.335 2.078 2.760 . 0 0 "[ . 1 . 2]" 2
1976 1 74 ASP H 1 75 GLY QA 3.340 . 4.880 4.398 4.217 4.540 . 0 0 "[ . 1 . 2]" 2
1977 1 74 ASP QB 1 75 GLY H 3.045 . 4.290 3.308 2.725 3.878 . 0 0 "[ . 1 . 2]" 2
1978 1 74 ASP QB 1 76 LYS H 3.500 . 5.200 3.854 2.974 5.191 . 0 0 "[ . 1 . 2]" 2
1979 1 74 ASP QB 1 76 LYS QG 3.570 . 5.340 3.742 2.600 5.273 . 0 0 "[ . 1 . 2]" 2
1980 1 75 GLY H 1 76 LYS QB 3.100 . 4.400 4.175 3.771 4.431 0.031 1 0 "[ . 1 . 2]" 2
1981 1 76 LYS H 1 76 LYS QB 2.285 . 2.770 2.427 2.192 2.700 . 0 0 "[ . 1 . 2]" 2
1982 1 76 LYS H 1 78 LEU QD 3.195 . 4.590 4.377 3.699 4.583 . 0 0 "[ . 1 . 2]" 2
1983 1 76 LYS QB 1 76 LYS QE 3.110 . 4.420 3.315 2.129 3.835 . 0 0 "[ . 1 . 2]" 2
1984 1 77 LYS H 1 77 LYS QB 2.290 . 2.780 2.284 2.138 2.458 . 0 0 "[ . 1 . 2]" 2
1985 1 77 LYS H 1 77 LYS QG 2.620 . 3.440 3.085 2.575 3.721 0.281 14 0 "[ . 1 . 2]" 2
1986 1 77 LYS H 1 78 LEU QD 3.140 . 4.480 3.999 3.725 4.339 . 0 0 "[ . 1 . 2]" 2
1987 1 77 LYS QE 1 77 LYS QG 2.515 . 3.230 2.205 2.092 2.370 . 0 0 "[ . 1 . 2]" 2
1988 1 77 LYS QG 1 78 LEU H 3.570 . 5.340 4.394 3.317 4.756 . 0 0 "[ . 1 . 2]" 2
1989 1 78 LEU H 1 78 LEU QB 2.410 . 3.020 2.780 2.653 2.916 . 0 0 "[ . 1 . 2]" 2
1990 1 78 LEU H 1 78 LEU QD 2.765 . 3.730 3.270 2.299 3.475 . 0 0 "[ . 1 . 2]" 2
1991 1 78 LEU HA 1 78 LEU QD 2.705 . 3.610 2.449 2.172 3.185 . 0 0 "[ . 1 . 2]" 2
1992 1 78 LEU QB 1 79 LYS H 2.475 . 3.150 2.646 2.315 2.842 . 0 0 "[ . 1 . 2]" 2
1993 1 78 LEU QD 1 79 LYS H 3.020 . 4.240 3.740 3.478 4.191 . 0 0 "[ . 1 . 2]" 2
1994 1 78 LEU QD 1 113 PHE QE 3.115 . 4.430 3.061 2.592 3.754 . 0 0 "[ . 1 . 2]" 2
1995 1 78 LEU QD 1 113 PHE HZ 3.455 . 5.110 3.736 3.222 4.351 . 0 0 "[ . 1 . 2]" 2
1996 1 79 LYS H 1 79 LYS QG 2.810 . 3.820 2.504 2.126 2.947 . 0 0 "[ . 1 . 2]" 2
1997 1 79 LYS H 1 79 LYS QE 3.195 . 4.590 4.364 3.491 4.705 0.115 10 0 "[ . 1 . 2]" 2
1998 1 79 LYS HA 1 79 LYS QG 2.620 . 3.440 2.844 2.423 3.352 . 0 0 "[ . 1 . 2]" 2
1999 1 79 LYS HA 1 79 LYS QE 3.570 . 5.340 4.703 3.144 5.561 0.221 2 0 "[ . 1 . 2]" 2
2000 1 79 LYS QB 1 79 LYS QE 2.910 . 4.020 2.949 1.936 3.630 . 0 0 "[ . 1 . 2]" 2
2001 1 79 LYS QG 1 80 CYS H 3.450 . 5.100 4.388 4.133 4.811 . 0 0 "[ . 1 . 2]" 2
2002 1 80 CYS QB 1 82 VAL QG 3.010 . 4.220 2.635 1.892 3.809 . 0 0 "[ . 1 . 2]" 2
2003 1 81 THR H 1 82 VAL QG 3.620 . 5.440 4.100 3.636 4.885 . 0 0 "[ . 1 . 2]" 2
2004 1 81 THR HA 1 82 VAL QG 3.445 . 5.090 3.729 3.465 3.978 . 0 0 "[ . 1 . 2]" 2
2005 1 82 VAL H 1 82 VAL QG 2.555 . 3.310 1.903 1.788 2.025 0.012 2 0 "[ . 1 . 2]" 2
2006 1 82 VAL QG 1 83 HIS H 2.520 . 3.240 2.351 1.870 2.676 . 0 0 "[ . 1 . 2]" 2
2007 1 82 VAL QG 1 83 HIS HA 3.065 . 4.330 3.513 2.979 3.839 . 0 0 "[ . 1 . 2]" 2
2008 1 82 VAL QG 1 83 HIS HB3 3.285 . 4.770 4.611 4.086 4.797 0.027 6 0 "[ . 1 . 2]" 2
2009 1 82 VAL QG 1 84 LEU HA 3.620 . 5.440 4.594 4.276 4.794 . 0 0 "[ . 1 . 2]" 2
2010 1 82 VAL QG 1 89 LEU H 3.620 . 5.440 5.363 4.994 5.579 0.139 1 0 "[ . 1 . 2]" 2
2011 1 82 VAL QG 1 89 LEU HA 3.265 . 4.730 3.631 3.189 3.844 . 0 0 "[ . 1 . 2]" 2
2012 1 82 VAL QG 1 90 VAL H 2.810 . 3.820 3.139 2.560 3.444 . 0 0 "[ . 1 . 2]" 2
2013 1 82 VAL QG 1 90 VAL HA 3.620 . 5.440 4.096 3.497 4.410 . 0 0 "[ . 1 . 2]" 2
2014 1 82 VAL QG 1 90 VAL HB 3.215 . 4.630 4.608 4.073 4.975 0.345 6 0 "[ . 1 . 2]" 2
2015 1 82 VAL QG 1 91 CYS H 3.055 . 4.310 3.726 3.020 4.092 . 0 0 "[ . 1 . 2]" 2
2016 1 83 HIS H 1 89 LEU QD 3.275 . 4.750 3.374 2.651 4.184 . 0 0 "[ . 1 . 2]" 2
2017 1 83 HIS HB3 1 89 LEU QD 3.620 . 5.440 5.232 4.899 5.579 0.139 3 0 "[ . 1 . 2]" 2
2018 1 84 LEU H 1 89 LEU QD 3.340 . 4.880 3.371 3.286 3.469 . 0 0 "[ . 1 . 2]" 2
2019 1 84 LEU QD 1 87 GLY QA 2.475 . 3.150 2.176 1.919 2.379 . 0 0 "[ . 1 . 2]" 2
2020 1 85 ALA H 1 86 ASN QD 3.570 . 5.340 5.168 4.911 5.393 0.053 17 0 "[ . 1 . 2]" 2
2021 1 85 ALA H 1 89 LEU QD 3.620 . 5.440 3.865 3.650 4.070 . 0 0 "[ . 1 . 2]" 2
2022 1 85 ALA MB 1 86 ASN QD 2.905 . 4.010 2.723 2.413 4.299 0.289 18 0 "[ . 1 . 2]" 2
2023 1 88 LYS HA 1 88 LYS QE 3.225 . 4.650 3.920 3.650 4.561 . 0 0 "[ . 1 . 2]" 2
2024 1 88 LYS HA 1 89 LEU QD 3.620 . 5.440 4.466 4.027 4.868 . 0 0 "[ . 1 . 2]" 2
2025 1 88 LYS QE 1 88 LYS QG 2.590 . 3.380 2.268 1.994 2.792 . 0 0 "[ . 1 . 2]" 2
2026 1 89 LEU QD 1 91 CYS H 3.620 . 5.440 5.339 5.031 5.513 0.073 16 0 "[ . 1 . 2]" 2
2027 1 90 VAL QG 1 91 CYS QB 3.345 . 4.890 4.276 3.921 4.483 . 0 0 "[ . 1 . 2]" 2
2028 1 91 CYS HA 1 92 LYS QB 3.415 . 5.030 4.295 4.151 4.496 . 0 0 "[ . 1 . 2]" 2
2029 1 92 LYS H 1 92 LYS QB 2.705 . 3.610 2.358 2.224 2.497 . 0 0 "[ . 1 . 2]" 2
2030 1 92 LYS QB 1 93 SER H 2.725 . 3.650 3.562 3.484 3.663 0.013 20 0 "[ . 1 . 2]" 2
2031 1 92 LYS QB 1 97 SER HA 2.905 . 4.010 3.532 3.002 3.764 . 0 0 "[ . 1 . 2]" 2
2032 1 92 LYS QB 1 97 SER QB 2.840 . 3.880 3.245 2.591 3.602 . 0 0 "[ . 1 . 2]" 2
2033 1 92 LYS QG 1 93 SER QB 3.570 . 5.340 4.327 4.129 4.927 . 0 0 "[ . 1 . 2]" 2
2034 1 93 SER H 1 93 SER QB 2.480 . 3.160 2.804 2.442 3.039 . 0 0 "[ . 1 . 2]" 2
2035 1 93 SER QB 1 94 GLU H 2.855 . 3.910 2.159 1.871 3.083 . 0 0 "[ . 1 . 2]" 2
2036 1 93 SER QB 1 95 LYS H 3.265 . 4.730 2.418 2.117 2.863 . 0 0 "[ . 1 . 2]" 2
2037 1 93 SER QB 1 96 PHE H 2.785 . 3.770 2.075 1.856 2.667 . 0 0 "[ . 1 . 2]" 2
2038 1 93 SER QB 1 96 PHE QE 3.105 . 4.410 4.384 4.162 4.469 0.059 1 0 "[ . 1 . 2]" 2
2039 1 95 LYS H 1 95 LYS QB 2.695 . 3.590 2.496 2.302 2.866 . 0 0 "[ . 1 . 2]" 2
2040 1 95 LYS HA 1 95 LYS QG 2.560 . 3.320 2.333 2.168 2.412 . 0 0 "[ . 1 . 2]" 2
2041 1 95 LYS QB 1 96 PHE H 2.630 . 3.460 3.019 2.692 3.276 . 0 0 "[ . 1 . 2]" 2
2042 1 95 LYS QB 1 96 PHE QD 3.345 . 4.890 3.039 2.764 3.272 . 0 0 "[ . 1 . 2]" 2
2043 1 95 LYS QB 1 96 PHE QE 2.735 . 3.670 2.850 2.645 3.011 . 0 0 "[ . 1 . 2]" 2
2044 1 95 LYS QB 1 113 PHE QE 3.570 . 5.340 5.409 5.368 5.460 0.120 9 0 "[ . 1 . 2]" 2
2045 1 95 LYS QG 1 96 PHE H 3.085 . 4.370 4.253 4.103 4.540 0.170 15 0 "[ . 1 . 2]" 2
2046 1 95 LYS QG 1 96 PHE HA 3.570 . 5.340 4.411 4.093 5.402 0.062 15 0 "[ . 1 . 2]" 2
2047 1 96 PHE H 1 96 PHE QB 2.725 . 3.650 2.810 2.661 2.867 . 0 0 "[ . 1 . 2]" 2
2048 1 96 PHE QB 1 97 SER H 2.455 . 3.110 2.205 2.068 2.356 . 0 0 "[ . 1 . 2]" 2
2049 1 96 PHE QB 1 98 HIS H 3.470 . 5.140 4.901 4.301 5.210 0.070 15 0 "[ . 1 . 2]" 2
2050 1 96 PHE QB 1 111 ILE MG 3.570 . 5.340 4.132 3.836 4.530 . 0 0 "[ . 1 . 2]" 2
2051 1 96 PHE QB 1 112 THR H 3.540 . 5.280 3.970 3.695 4.284 . 0 0 "[ . 1 . 2]" 2
2052 1 96 PHE QB 1 113 PHE HA 3.570 . 5.340 3.611 3.309 3.938 . 0 0 "[ . 1 . 2]" 2
2053 1 96 PHE QB 1 113 PHE QE 2.615 . 3.430 2.965 2.790 3.104 . 0 0 "[ . 1 . 2]" 2
2054 1 96 PHE QB 1 113 PHE HZ 3.570 . 5.340 2.942 2.745 3.218 . 0 0 "[ . 1 . 2]" 2
2055 1 98 HIS HD2 1 99 GLU QG 3.140 . 4.480 4.585 4.412 4.693 0.213 4 0 "[ . 1 . 2]" 2
2056 1 98 HIS HD2 1 109 GLU QB 2.955 . 4.110 3.341 3.021 4.089 . 0 0 "[ . 1 . 2]" 2
2057 1 98 HIS HD2 1 109 GLU QG 3.055 . 4.310 4.212 3.282 4.413 0.103 14 0 "[ . 1 . 2]" 2
2058 1 98 HIS HE1 1 109 GLU QG 3.055 . 4.310 4.254 3.567 4.459 0.149 12 0 "[ . 1 . 2]" 2
2059 1 99 GLU H 1 99 GLU QB 2.560 . 3.320 2.367 2.194 2.797 . 0 0 "[ . 1 . 2]" 2
2060 1 99 GLU H 1 99 GLU QG 2.875 . 3.950 3.580 2.081 3.983 0.033 4 0 "[ . 1 . 2]" 2
2061 1 99 GLU H 1 109 GLU QB 3.400 . 5.000 4.336 3.426 4.731 . 0 0 "[ . 1 . 2]" 2
2062 1 99 GLU HA 1 109 GLU QB 3.570 . 5.340 5.155 4.580 5.570 0.230 6 0 "[ . 1 . 2]" 2
2063 1 99 GLU QB 1 110 THR HB 3.075 . 4.350 2.741 2.012 4.124 . 0 0 "[ . 1 . 2]" 2
2064 1 99 GLU QB 1 111 ILE HA 3.325 . 4.850 4.590 4.293 4.962 0.112 11 0 "[ . 1 . 2]" 2
2065 1 99 GLU QG 1 109 GLU QB 3.075 . 4.350 4.263 3.775 4.752 0.402 19 0 "[ . 1 . 2]" 2
2066 1 99 GLU QG 1 110 THR H 3.020 . 4.240 2.848 2.122 3.755 . 0 0 "[ . 1 . 2]" 2
2067 1 99 GLU QG 1 110 THR HB 3.420 . 5.040 3.370 2.165 4.656 . 0 0 "[ . 1 . 2]" 2
2068 1 101 GLU HA 1 102 VAL QG 2.930 . 4.060 3.703 3.503 3.863 . 0 0 "[ . 1 . 2]" 2
2069 1 101 GLU QG 1 102 VAL H 2.525 . 3.250 2.685 2.430 3.078 . 0 0 "[ . 1 . 2]" 2
2070 1 101 GLU QG 1 102 VAL HA 3.485 . 5.170 3.980 3.643 4.424 . 0 0 "[ . 1 . 2]" 2
2071 1 101 GLU QG 1 103 LYS H 3.235 . 4.670 4.192 3.792 4.694 0.024 7 0 "[ . 1 . 2]" 2
2072 1 101 GLU QG 1 108 VAL H 3.310 . 4.820 4.175 3.418 4.839 0.019 19 0 "[ . 1 . 2]" 2
2073 1 102 VAL H 1 102 VAL QG 2.540 . 3.280 2.664 2.546 2.774 . 0 0 "[ . 1 . 2]" 2
2074 1 102 VAL QG 1 103 LYS H 2.500 . 3.200 2.773 2.608 2.904 . 0 0 "[ . 1 . 2]" 2
2075 1 102 VAL QG 1 103 LYS HA 3.065 . 4.330 3.517 3.363 3.674 . 0 0 "[ . 1 . 2]" 2
2076 1 102 VAL QG 1 105 ASN HA 3.450 . 5.100 4.082 3.719 4.761 . 0 0 "[ . 1 . 2]" 2
2077 1 102 VAL QG 1 106 GLU H 2.895 . 3.990 3.668 3.374 3.963 . 0 0 "[ . 1 . 2]" 2
2078 1 102 VAL QG 1 107 MET HA 2.995 . 4.190 2.934 2.633 3.127 . 0 0 "[ . 1 . 2]" 2
2079 1 102 VAL QG 1 107 MET QB 2.605 . 3.410 2.198 2.003 2.572 . 0 0 "[ . 1 . 2]" 2
2080 1 102 VAL QG 1 107 MET QG 2.545 . 3.290 2.336 1.953 2.731 . 0 0 "[ . 1 . 2]" 2
2081 1 102 VAL QG 1 107 MET ME 2.845 . 3.890 3.630 3.154 3.828 . 0 0 "[ . 1 . 2]" 2
2082 1 102 VAL QG 1 108 VAL H 3.160 . 4.520 4.209 3.824 4.457 . 0 0 "[ . 1 . 2]" 2
2083 1 103 LYS H 1 103 LYS QB 2.430 . 3.060 2.486 2.365 2.606 . 0 0 "[ . 1 . 2]" 2
2084 1 103 LYS QB 1 103 LYS QE 3.225 . 4.650 3.136 2.015 3.652 . 0 0 "[ . 1 . 2]" 2
2085 1 103 LYS QG 1 104 GLY QA 3.570 . 5.340 4.970 3.613 5.423 0.083 11 0 "[ . 1 . 2]" 2
2086 1 104 GLY QA 1 106 GLU H 2.970 . 4.140 3.506 3.331 3.700 . 0 0 "[ . 1 . 2]" 2
2087 1 105 ASN QB 1 124 ARG H 3.105 . 4.410 3.686 3.023 4.223 . 0 0 "[ . 1 . 2]" 2
2088 1 105 ASN QB 1 124 ARG HB2 2.920 . 4.040 3.443 2.714 4.129 0.089 2 0 "[ . 1 . 2]" 2
2089 1 105 ASN QB 1 124 ARG HB3 3.205 . 4.610 3.423 2.355 4.377 . 0 0 "[ . 1 . 2]" 2
2090 1 105 ASN QB 1 124 ARG QG 3.570 . 5.340 4.879 4.040 5.472 0.132 13 0 "[ . 1 . 2]" 2
2091 1 105 ASN QB 1 124 ARG HE 3.570 . 5.340 3.950 2.993 4.763 . 0 0 "[ . 1 . 2]" 2
2092 1 106 GLU H 1 106 GLU QG 2.860 . 3.920 3.140 2.773 3.547 . 0 0 "[ . 1 . 2]" 2
2093 1 106 GLU HA 1 106 GLU QG 2.715 . 3.630 2.384 2.275 2.526 . 0 0 "[ . 1 . 2]" 2
2094 1 106 GLU QG 1 123 LYS HA 3.225 . 4.650 2.826 2.113 3.309 . 0 0 "[ . 1 . 2]" 2
2095 1 107 MET H 1 122 SER QB 3.505 . 5.210 3.298 2.865 3.759 . 0 0 "[ . 1 . 2]" 2
2096 1 107 MET HA 1 108 VAL QG 2.860 . 3.920 3.420 3.215 3.641 . 0 0 "[ . 1 . 2]" 2
2097 1 108 VAL HA 1 108 VAL QG 2.420 . 3.040 2.240 2.110 2.449 . 0 0 "[ . 1 . 2]" 2
2098 1 109 GLU H 1 109 GLU QB 2.700 . 3.600 2.710 2.439 3.007 . 0 0 "[ . 1 . 2]" 2
2099 1 109 GLU QB 1 110 THR H 2.715 . 3.630 2.791 2.445 3.286 . 0 0 "[ . 1 . 2]" 2
2100 1 109 GLU QG 1 110 THR H 2.655 . 3.510 3.351 2.669 3.679 0.169 12 0 "[ . 1 . 2]" 2
2101 1 110 THR HA 1 119 ILE QG 2.650 . 3.500 3.245 2.823 3.530 0.030 3 0 "[ . 1 . 2]" 2
2102 1 110 THR HB 1 119 ILE QG 3.570 . 5.340 4.559 3.820 4.870 . 0 0 "[ . 1 . 2]" 2
2103 1 111 ILE H 1 119 ILE QG 2.980 . 4.160 4.056 3.800 4.227 0.067 14 0 "[ . 1 . 2]" 2
2104 1 111 ILE MD 1 120 ARG QD 3.170 . 4.540 3.176 2.121 4.533 . 0 0 "[ . 1 . 2]" 2
2105 1 112 THR MG 1 115 GLY QA 3.070 . 4.340 3.409 3.118 3.630 . 0 0 "[ . 1 . 2]" 2
2106 1 113 PHE H 1 116 VAL QG 2.905 . 4.010 4.124 4.058 4.174 0.164 4 0 "[ . 1 . 2]" 2
2107 1 114 GLY H 1 115 GLY QA 3.340 . 4.880 4.516 4.442 4.591 . 0 0 "[ . 1 . 2]" 2
2108 1 114 GLY QA 1 115 GLY QA 3.570 . 5.340 3.758 3.743 3.782 . 0 0 "[ . 1 . 2]" 2
2109 1 114 GLY QA 1 116 VAL QG 3.620 . 5.440 3.378 3.004 3.633 . 0 0 "[ . 1 . 2]" 2
2110 1 115 GLY H 1 116 VAL QG 3.390 . 4.980 4.022 3.871 4.182 . 0 0 "[ . 1 . 2]" 2
2111 1 115 GLY QA 1 116 VAL QG 3.320 . 4.840 3.415 3.302 3.519 . 0 0 "[ . 1 . 2]" 2
2112 1 116 VAL H 1 116 VAL QG 2.435 . 3.070 2.488 2.293 2.677 . 0 0 "[ . 1 . 2]" 2
2113 1 116 VAL HA 1 116 VAL QG 2.400 . 3.000 2.114 2.083 2.138 . 0 0 "[ . 1 . 2]" 2
2114 1 116 VAL QG 1 117 THR H 2.405 . 3.010 2.619 2.347 2.798 . 0 0 "[ . 1 . 2]" 2
2115 1 117 THR HB 1 119 ILE QG 3.570 . 5.340 4.117 3.433 4.978 . 0 0 "[ . 1 . 2]" 2
2116 1 118 LEU HA 1 119 ILE QG 3.345 . 4.890 3.958 3.535 4.981 0.091 10 0 "[ . 1 . 2]" 2
2117 1 118 LEU HG 1 120 ARG QG 3.570 . 5.340 2.424 1.920 4.279 . 0 0 "[ . 1 . 2]" 2
2118 1 118 LEU HG 1 120 ARG QD 2.785 . 3.770 2.635 1.917 3.184 . 0 0 "[ . 1 . 2]" 2
2119 1 118 LEU MD1 1 120 ARG QD 2.790 . 3.780 3.273 2.174 3.837 0.057 11 0 "[ . 1 . 2]" 2
2120 1 118 LEU MD2 1 120 ARG QD 3.570 . 5.340 2.437 1.991 3.034 . 0 0 "[ . 1 . 2]" 2
2121 1 119 ILE H 1 119 ILE QG 2.565 . 3.330 2.632 2.207 3.407 0.077 7 0 "[ . 1 . 2]" 2
2122 1 119 ILE HA 1 119 ILE QG 2.545 . 3.290 2.333 2.175 2.489 . 0 0 "[ . 1 . 2]" 2
2123 1 119 ILE QG 1 120 ARG H 3.105 . 4.410 4.220 3.939 4.401 . 0 0 "[ . 1 . 2]" 2
2124 1 120 ARG H 1 120 ARG QB 2.585 . 3.370 2.711 2.278 3.345 . 0 0 "[ . 1 . 2]" 2
2125 1 120 ARG H 1 120 ARG QG 2.590 . 3.380 2.916 2.084 4.098 0.718 5 1 "[ + 1 . 2]" 2
2126 1 120 ARG HA 1 120 ARG QG 2.685 . 3.570 2.626 2.293 3.341 . 0 0 "[ . 1 . 2]" 2
2127 1 120 ARG HA 1 121 ARG QG 3.120 . 4.440 4.211 3.346 4.824 0.384 6 0 "[ . 1 . 2]" 2
2128 1 120 ARG QB 1 120 ARG QD 2.475 . 3.150 2.345 2.084 2.717 . 0 0 "[ . 1 . 2]" 2
2129 1 120 ARG QB 1 120 ARG HE 3.410 . 5.020 2.634 1.897 4.098 . 0 0 "[ . 1 . 2]" 2
2130 1 120 ARG QB 1 121 ARG H 2.490 . 3.180 2.669 2.206 3.243 0.063 5 0 "[ . 1 . 2]" 2
2131 1 120 ARG QG 1 121 ARG H 3.010 . 4.220 3.871 2.405 4.371 0.151 19 0 "[ . 1 . 2]" 2
2132 1 121 ARG H 1 121 ARG QB 2.515 . 3.230 2.563 2.307 3.261 0.031 8 0 "[ . 1 . 2]" 2
2133 1 121 ARG H 1 121 ARG QG 2.850 . 3.900 3.217 1.796 3.837 0.004 13 0 "[ . 1 . 2]" 2
2134 1 121 ARG H 1 122 SER QB 3.570 . 5.340 5.203 4.676 5.520 0.180 4 0 "[ . 1 . 2]" 2
2135 1 121 ARG HA 1 121 ARG QG 2.755 . 3.710 2.462 2.098 3.366 . 0 0 "[ . 1 . 2]" 2
2136 1 121 ARG QB 1 121 ARG QD 2.705 . 3.610 2.286 2.068 2.820 . 0 0 "[ . 1 . 2]" 2
2137 1 121 ARG QB 1 121 ARG HE 3.220 . 4.640 2.535 1.787 3.897 0.013 12 0 "[ . 1 . 2]" 2
2138 1 121 ARG QB 1 122 SER H 2.605 . 3.410 3.094 2.637 3.346 . 0 0 "[ . 1 . 2]" 2
2139 1 121 ARG HE 1 121 ARG QG 2.690 . 3.580 2.500 2.253 3.176 . 0 0 "[ . 1 . 2]" 2
2140 1 121 ARG QG 1 122 SER H 3.145 . 4.490 3.964 3.512 4.643 0.153 3 0 "[ . 1 . 2]" 2
2141 1 122 SER QB 1 123 LYS H 2.800 . 3.800 3.282 2.796 3.788 . 0 0 "[ . 1 . 2]" 2
2142 1 122 SER QB 1 123 LYS QB 3.570 . 5.340 5.139 4.696 5.401 0.061 10 0 "[ . 1 . 2]" 2
2143 1 125 VAL H 1 125 VAL QG 2.945 . 4.090 2.348 1.798 2.711 0.002 9 0 "[ . 1 . 2]" 2
2144 1 125 VAL HA 1 125 VAL QG 2.450 . 3.100 2.226 2.103 2.417 . 0 0 "[ . 1 . 2]" 2
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