NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383601 |
1k1c   |
4972 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k1c
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 1023
_Distance_constraint_stats_list.Viol_count 1234
_Distance_constraint_stats_list.Viol_total 3304.975
_Distance_constraint_stats_list.Viol_max 0.986
_Distance_constraint_stats_list.Viol_rms 0.0419
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.1116
_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 2 GLN 0.937 0.614 23 1 "[ . 1 . 2 + ]"
1 3 GLN 1.883 0.614 23 1 "[ . 1 . 2 + ]"
1 4 LYS 1.904 0.542 20 2 "[ . 1 -. + ]"
1 5 VAL 0.049 0.010 15 0 "[ . 1 . 2 ]"
1 6 GLU 4.942 0.626 19 4 "[ . - 1 * +2 * ]"
1 7 VAL 1.507 0.233 6 0 "[ . 1 . 2 ]"
1 8 ARG 2.232 0.459 23 0 "[ . 1 . 2 ]"
1 9 LEU 1.349 0.115 1 0 "[ . 1 . 2 ]"
1 10 LYS 5.283 0.755 9 3 "[ . +1 - . 2* ]"
1 11 THR 0.100 0.055 7 0 "[ . 1 . 2 ]"
1 12 GLY 2.580 0.141 12 0 "[ . 1 . 2 ]"
1 13 LEU 2.767 0.157 19 0 "[ . 1 . 2 ]"
1 14 GLN 1.038 0.119 6 0 "[ . 1 . 2 ]"
1 15 ALA 0.498 0.308 23 0 "[ . 1 . 2 ]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 PRO 5.542 0.308 23 0 "[ . 1 . 2 ]"
1 18 ALA 0.496 0.102 11 0 "[ . 1 . 2 ]"
1 19 ALA 3.624 0.236 6 0 "[ . 1 . 2 ]"
1 20 LEU 0.932 0.214 21 0 "[ . 1 . 2 ]"
1 21 PHE 2.079 0.214 21 0 "[ . 1 . 2 ]"
1 22 VAL 2.175 0.236 6 0 "[ . 1 . 2 ]"
1 23 GLN 4.926 0.360 5 0 "[ . 1 . 2 ]"
1 24 GLU 3.731 0.406 6 0 "[ . 1 . 2 ]"
1 25 ALA 0.197 0.044 2 0 "[ . 1 . 2 ]"
1 26 ASN 0.084 0.026 13 0 "[ . 1 . 2 ]"
1 27 ARG 4.445 0.819 23 1 "[ . 1 . 2 + ]"
1 28 PHE 1.685 0.254 8 0 "[ . 1 . 2 ]"
1 29 THR 1.976 0.254 8 0 "[ . 1 . 2 ]"
1 30 SER 1.342 0.086 19 0 "[ . 1 . 2 ]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 VAL 0.118 0.066 23 0 "[ . 1 . 2 ]"
1 33 PHE 6.175 0.687 19 3 "[ . 1 -. +2 * ]"
1 34 LEU 3.892 0.449 21 0 "[ . 1 . 2 ]"
1 35 GLU 8.678 0.986 9 3 "[ . * +1 . 2 - ]"
1 36 LYS 8.787 0.586 21 4 "[ * - 1 . *+ ]"
1 37 ASP 2.866 0.232 8 0 "[ . 1 . 2 ]"
1 38 GLY 2.210 0.226 23 0 "[ . 1 . 2 ]"
1 39 LYS 0.535 0.032 7 0 "[ . 1 . 2 ]"
1 40 LYS 20.037 0.923 7 10 "[ * . + *- *** * ** ]"
1 41 VAL 6.004 0.291 7 0 "[ . 1 . 2 ]"
1 42 ASN 3.911 0.149 11 0 "[ . 1 . 2 ]"
1 43 ALA 3.768 0.193 23 0 "[ . 1 . 2 ]"
1 44 LYS 2.773 0.202 10 0 "[ . 1 . 2 ]"
1 45 SER 7.548 0.749 12 7 "[ * . - * + .* 2* *]"
1 46 ILE 3.249 0.440 23 0 "[ . 1 . 2 ]"
1 47 MET 3.137 0.331 14 0 "[ . 1 . 2 ]"
1 48 GLY 0.629 0.068 5 0 "[ . 1 . 2 ]"
1 49 LEU 6.136 0.749 12 7 "[ * . - * + .* 2* *]"
1 50 MET 3.131 0.440 23 0 "[ . 1 . 2 ]"
1 51 SER 2.185 0.468 23 0 "[ . 1 . 2 ]"
1 52 LEU 4.728 0.468 23 0 "[ . 1 . 2 ]"
1 53 ALA 0.275 0.049 14 0 "[ . 1 . 2 ]"
1 54 VAL 2.573 0.404 12 0 "[ . 1 . 2 ]"
1 55 SER 1.192 0.126 17 0 "[ . 1 . 2 ]"
1 56 THR 2.103 0.118 16 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 THR 0.122 0.027 17 0 "[ . 1 . 2 ]"
1 59 GLU 4.374 0.459 23 0 "[ . 1 . 2 ]"
1 60 VAL 5.299 0.986 9 6 "[ * -+1 . ** * ]"
1 61 THR 0.580 0.090 23 0 "[ . 1 . 2 ]"
1 62 LEU 3.400 0.497 6 0 "[ . 1 . 2 ]"
1 63 ILE 6.960 0.687 19 3 "[ . 1 -. +2 * ]"
1 64 ALA 0.054 0.020 8 0 "[ . 1 . 2 ]"
1 65 GLN 1.977 0.161 11 0 "[ . 1 . 2 ]"
1 66 GLY 0.048 0.048 14 0 "[ . 1 . 2 ]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ASP 4.992 0.479 14 0 "[ . 1 . 2 ]"
1 69 GLU 1.614 0.161 11 0 "[ . 1 . 2 ]"
1 70 GLN 0.430 0.050 2 0 "[ . 1 . 2 ]"
1 71 GLU 1.818 0.321 9 0 "[ . 1 . 2 ]"
1 72 ALA 3.845 0.479 14 0 "[ . 1 . 2 ]"
1 73 LEU 1.032 0.290 14 0 "[ . 1 . 2 ]"
1 74 GLU 0.168 0.067 3 0 "[ . 1 . 2 ]"
1 75 LYS 10.843 0.795 21 10 "[ **- *1 * ** * 2+ *]"
1 76 LEU 13.610 0.795 21 10 "[ **- *1 * ** * 2+ *]"
1 77 ALA 0.168 0.067 3 0 "[ . 1 . 2 ]"
1 78 ALA 1.933 0.361 17 0 "[ . 1 . 2 ]"
1 79 TYR 0.942 0.156 10 0 "[ . 1 . 2 ]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 GLN 0.717 0.115 1 0 "[ . 1 . 2 ]"
1 82 GLU 0.155 0.049 5 0 "[ . 1 . 2 ]"
1 83 GLU 2.589 0.755 9 1 "[ . +1 . 2 ]"
1 84 VAL 5.466 0.638 21 2 "[ . 1 - . 2+ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN H 1 64 ALA MB 3.646 . 5.740 4.076 3.776 4.577 . 0 0 "[ . 1 . 2 ]" 1
2 1 4 LYS H 1 73 LEU HB2 4.103 . 5.334 4.439 4.204 4.716 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 GLN H 1 73 LEU HB2 3.889 . 5.056 4.967 4.177 5.346 0.290 14 0 "[ . 1 . 2 ]" 1
4 1 6 GLU H 1 6 GLU HB3 2.429 . 3.158 2.976 2.456 3.784 0.626 19 4 "[ . - 1 * +2 * ]" 1
5 1 6 GLU H 1 6 GLU HB2 2.923 . 3.800 3.029 2.192 3.725 . 0 0 "[ . 1 . 2 ]" 1
6 1 6 GLU HB2 1 7 VAL H 2.891 . 3.758 3.376 2.217 3.991 0.233 6 0 "[ . 1 . 2 ]" 1
7 1 7 VAL H 1 7 VAL HB 3.306 . 4.298 3.836 3.718 3.973 . 0 0 "[ . 1 . 2 ]" 1
8 1 8 ARG H 1 8 ARG QB 2.167 . 3.817 2.407 2.289 2.655 . 0 0 "[ . 1 . 2 ]" 1
9 1 9 LEU H 1 9 LEU QB 2.685 . 4.491 2.104 1.976 2.314 . 0 0 "[ . 1 . 2 ]" 1
10 1 8 ARG H 1 81 GLN QG 3.587 . 4.663 4.048 3.562 4.368 . 0 0 "[ . 1 . 2 ]" 1
11 1 10 LYS H 1 10 LYS HB2 3.302 . 4.293 2.776 2.401 3.073 . 0 0 "[ . 1 . 2 ]" 1
12 1 10 LYS H 1 10 LYS QE 3.962 . 5.151 2.907 2.565 3.339 . 0 0 "[ . 1 . 2 ]" 1
13 1 11 THR H 1 11 THR MG 3.093 . 5.021 2.784 2.019 3.747 . 0 0 "[ . 1 . 2 ]" 1
14 1 13 LEU H 1 13 LEU QD 2.774 . 6.006 1.752 1.441 2.899 . 0 0 "[ . 1 . 2 ]" 1
15 1 14 GLN H 1 49 LEU QD 3.076 . 4.999 4.102 3.744 4.240 . 0 0 "[ . 1 . 2 ]" 1
16 1 13 LEU QD 1 14 GLN H 3.015 . 6.320 3.734 3.322 4.350 . 0 0 "[ . 1 . 2 ]" 1
17 1 14 GLN H 1 14 GLN QB 3.017 . 4.922 2.491 2.290 2.992 . 0 0 "[ . 1 . 2 ]" 1
18 1 14 GLN H 1 14 GLN QG 2.642 . 4.435 2.361 1.717 2.777 . 0 0 "[ . 1 . 2 ]" 1
19 1 14 GLN QB 1 15 ALA H 3.294 . 5.282 2.689 1.663 3.955 . 0 0 "[ . 1 . 2 ]" 1
20 1 14 GLN QG 1 15 ALA H 2.900 . 4.770 3.975 3.354 4.336 . 0 0 "[ . 1 . 2 ]" 1
21 1 15 ALA H 1 15 ALA MB 2.787 . 4.623 2.747 2.164 2.968 . 0 0 "[ . 1 . 2 ]" 1
22 1 16 ARG H 1 17 PRO HG2 3.811 . 4.954 3.900 2.996 4.906 . 0 0 "[ . 1 . 2 ]" 1
23 1 13 LEU QD 1 18 ALA H 3.548 . 7.012 3.640 3.005 4.556 . 0 0 "[ . 1 . 2 ]" 1
24 1 17 PRO HG3 1 18 ALA H 3.689 . 4.796 3.447 3.103 3.890 . 0 0 "[ . 1 . 2 ]" 1
25 1 17 PRO HD2 1 18 ALA H 3.890 . 5.057 2.723 2.284 3.735 . 0 0 "[ . 1 . 2 ]" 1
26 1 18 ALA H 1 18 ALA MB 2.554 . 4.320 2.039 1.854 2.223 . 0 0 "[ . 1 . 2 ]" 1
27 1 18 ALA MB 1 19 ALA H 2.687 . 4.493 2.246 1.913 3.213 . 0 0 "[ . 1 . 2 ]" 1
28 1 13 LEU QD 1 19 ALA H 3.991 . 7.588 4.064 3.486 4.948 . 0 0 "[ . 1 . 2 ]" 1
29 1 20 LEU HB3 1 21 PHE H 2.583 . 3.358 2.438 2.182 2.756 . 0 0 "[ . 1 . 2 ]" 1
30 1 20 LEU MD2 1 21 PHE H 2.575 . 4.348 3.712 3.221 4.562 0.214 21 0 "[ . 1 . 2 ]" 1
31 1 21 PHE H 1 21 PHE HB3 2.878 . 3.741 2.450 2.012 3.613 . 0 0 "[ . 1 . 2 ]" 1
32 1 21 PHE H 1 21 PHE HB2 2.744 . 3.567 2.525 2.202 2.819 . 0 0 "[ . 1 . 2 ]" 1
33 1 22 VAL H 1 22 VAL QG 2.599 . 4.379 2.100 1.689 2.421 . 0 0 "[ . 1 . 2 ]" 1
34 1 21 PHE H 1 22 VAL QG 3.679 . 5.783 4.269 3.689 4.513 . 0 0 "[ . 1 . 2 ]" 1
35 1 22 VAL QG 1 23 GLN H 3.257 . 4.653 2.708 1.922 3.353 . 0 0 "[ . 1 . 2 ]" 1
36 1 23 GLN H 1 23 GLN HG3 3.279 . 4.263 3.740 2.007 4.594 0.331 17 0 "[ . 1 . 2 ]" 1
37 1 24 GLU H 1 76 LEU MD2 3.460 . 5.498 3.823 3.032 4.733 . 0 0 "[ . 1 . 2 ]" 1
38 1 24 GLU H 1 24 GLU QB 2.440 . 4.172 2.561 2.290 2.872 . 0 0 "[ . 1 . 2 ]" 1
39 1 24 GLU QB 1 25 ALA H 2.627 . 4.415 2.714 2.052 3.574 . 0 0 "[ . 1 . 2 ]" 1
40 1 24 GLU HG2 1 25 ALA H 3.534 . 4.594 3.648 2.640 4.107 . 0 0 "[ . 1 . 2 ]" 1
41 1 25 ALA H 1 25 ALA MB 2.422 . 4.149 2.175 2.122 2.208 . 0 0 "[ . 1 . 2 ]" 1
42 1 24 GLU H 1 25 ALA MB 3.268 . 5.248 3.979 3.753 4.190 . 0 0 "[ . 1 . 2 ]" 1
43 1 25 ALA MB 1 26 ASN H 2.908 . 4.780 2.175 1.971 2.394 . 0 0 "[ . 1 . 2 ]" 1
44 1 26 ASN H 1 26 ASN QB 2.460 . 4.198 1.912 1.836 1.986 . 0 0 "[ . 1 . 2 ]" 1
45 1 25 ALA H 1 26 ASN QB 3.408 . 5.430 4.051 3.746 4.172 . 0 0 "[ . 1 . 2 ]" 1
46 1 26 ASN QB 1 27 ARG H 3.178 . 5.131 2.449 2.094 2.789 . 0 0 "[ . 1 . 2 ]" 1
47 1 25 ALA MB 1 27 ARG H 3.272 . 5.254 4.288 4.228 4.321 . 0 0 "[ . 1 . 2 ]" 1
48 1 27 ARG H 1 27 ARG QD 3.455 . 5.492 3.918 3.367 4.718 . 0 0 "[ . 1 . 2 ]" 1
49 1 22 VAL QG 1 26 ASN H 3.172 . 5.124 3.977 3.776 4.078 . 0 0 "[ . 1 . 2 ]" 1
50 1 28 PHE H 1 72 ALA MB 3.496 . 5.545 4.188 3.795 4.555 . 0 0 "[ . 1 . 2 ]" 1
51 1 27 ARG QB 1 28 PHE H 3.275 . 4.258 2.674 2.029 3.863 . 0 0 "[ . 1 . 2 ]" 1
52 1 28 PHE H 1 28 PHE HB3 2.951 . 3.836 3.526 3.292 3.727 . 0 0 "[ . 1 . 2 ]" 1
53 1 28 PHE H 1 28 PHE HB2 2.776 . 3.609 2.304 1.937 2.640 . 0 0 "[ . 1 . 2 ]" 1
54 1 27 ARG H 1 28 PHE HB2 3.930 . 5.109 4.558 3.656 5.137 0.028 24 0 "[ . 1 . 2 ]" 1
55 1 28 PHE HB3 1 29 THR H 3.563 . 4.632 3.075 2.243 3.807 . 0 0 "[ . 1 . 2 ]" 1
56 1 28 PHE HB2 1 29 THR H 3.233 . 4.203 3.512 1.741 4.457 0.254 8 0 "[ . 1 . 2 ]" 1
57 1 29 THR H 1 29 THR HB 3.137 . 4.078 3.010 2.067 3.934 . 0 0 "[ . 1 . 2 ]" 1
58 1 29 THR H 1 29 THR MG 2.967 . 4.857 3.172 1.806 3.725 . 0 0 "[ . 1 . 2 ]" 1
59 1 29 THR HB 1 30 SER H 3.375 . 4.388 3.872 2.839 4.465 0.077 17 0 "[ . 1 . 2 ]" 1
60 1 29 THR MG 1 30 SER H 3.209 . 5.172 3.881 2.951 4.224 . 0 0 "[ . 1 . 2 ]" 1
61 1 30 SER H 1 30 SER HB3 3.152 . 4.098 3.571 3.305 3.745 . 0 0 "[ . 1 . 2 ]" 1
62 1 30 SER H 1 30 SER HB2 2.921 . 3.797 2.671 2.462 2.914 . 0 0 "[ . 1 . 2 ]" 1
63 1 29 THR H 1 30 SER HB3 5.393 . 7.011 5.570 4.732 6.270 . 0 0 "[ . 1 . 2 ]" 1
64 1 28 PHE HB2 1 30 SER H 3.243 . 4.216 3.825 3.330 4.234 0.018 13 0 "[ . 1 . 2 ]" 1
65 1 30 SER H 1 72 ALA MB 3.771 . 5.902 4.209 3.803 4.564 . 0 0 "[ . 1 . 2 ]" 1
66 1 32 VAL H 1 32 VAL QG 3.146 . 4.689 1.942 1.628 2.381 . 0 0 "[ . 1 . 2 ]" 1
67 1 32 VAL HB 1 33 PHE H 3.471 . 4.512 3.528 2.451 4.113 . 0 0 "[ . 1 . 2 ]" 1
68 1 33 PHE H 1 33 PHE HB2 3.502 . 4.553 2.884 2.730 3.055 . 0 0 "[ . 1 . 2 ]" 1
69 1 33 PHE H 1 33 PHE HB3 3.226 . 4.194 3.905 3.824 3.995 . 0 0 "[ . 1 . 2 ]" 1
70 1 33 PHE HB2 1 34 LEU H 2.798 . 3.637 3.489 3.183 3.835 0.198 6 0 "[ . 1 . 2 ]" 1
71 1 33 PHE HB3 1 34 LEU H 3.172 . 4.124 2.279 2.091 2.618 . 0 0 "[ . 1 . 2 ]" 1
72 1 33 PHE H 1 63 ILE HB 3.206 . 4.168 2.276 1.922 2.593 . 0 0 "[ . 1 . 2 ]" 1
73 1 35 GLU H 1 35 GLU HB2 3.078 . 4.001 2.801 2.271 3.440 . 0 0 "[ . 1 . 2 ]" 1
74 1 35 GLU H 1 35 GLU HB3 3.039 . 3.951 3.723 3.618 3.789 . 0 0 "[ . 1 . 2 ]" 1
75 1 35 GLU H 1 61 THR HG1 3.509 . 4.562 4.314 3.624 4.601 0.039 8 0 "[ . 1 . 2 ]" 1
76 1 36 LYS HG3 1 37 ASP H 4.392 . 5.710 5.160 3.719 5.942 0.232 8 0 "[ . 1 . 2 ]" 1
77 1 36 LYS HG2 1 37 ASP H 4.570 . 5.941 4.581 3.444 4.954 . 0 0 "[ . 1 . 2 ]" 1
78 1 39 LYS H 1 39 LYS QG 2.921 . 3.610 2.034 1.924 2.247 . 0 0 "[ . 1 . 2 ]" 1
79 1 38 GLY H 1 39 LYS QG 3.570 . 4.641 4.205 3.803 4.420 . 0 0 "[ . 1 . 2 ]" 1
80 1 37 ASP HB3 1 38 GLY H 3.564 . 4.633 4.493 4.439 4.551 . 0 0 "[ . 1 . 2 ]" 1
81 1 40 LYS HG2 1 41 VAL H 3.057 . 3.974 2.481 2.220 2.823 . 0 0 "[ . 1 . 2 ]" 1
82 1 40 LYS HG3 1 41 VAL H 3.318 . 4.313 3.934 2.956 4.278 . 0 0 "[ . 1 . 2 ]" 1
83 1 41 VAL H 1 41 VAL MG1 2.438 . 4.169 2.788 1.743 3.331 . 0 0 "[ . 1 . 2 ]" 1
84 1 41 VAL HB 1 42 ASN H 2.743 . 3.566 2.813 2.080 3.715 0.149 11 0 "[ . 1 . 2 ]" 1
85 1 42 ASN H 1 42 ASN HB3 2.728 . 3.546 2.794 2.352 3.589 0.043 24 0 "[ . 1 . 2 ]" 1
86 1 42 ASN H 1 42 ASN HB2 2.760 . 3.588 2.570 2.004 3.619 0.031 12 0 "[ . 1 . 2 ]" 1
87 1 42 ASN HB3 1 43 ALA H 3.671 . 4.772 4.155 3.662 4.394 . 0 0 "[ . 1 . 2 ]" 1
88 1 42 ASN HB2 1 43 ALA H 4.449 . 5.784 4.329 3.679 4.524 . 0 0 "[ . 1 . 2 ]" 1
89 1 32 VAL QG 1 43 ALA H 3.500 . 5.550 3.030 2.532 3.444 . 0 0 "[ . 1 . 2 ]" 1
90 1 43 ALA H 1 43 ALA MB 2.634 . 4.424 2.182 2.132 2.238 . 0 0 "[ . 1 . 2 ]" 1
91 1 45 SER HB3 1 46 ILE H 3.862 . 5.021 2.620 2.163 3.646 . 0 0 "[ . 1 . 2 ]" 1
92 1 46 ILE H 1 46 ILE HB 3.090 . 4.017 2.451 2.239 2.728 . 0 0 "[ . 1 . 2 ]" 1
93 1 47 MET H 1 47 MET HB3 3.287 . 4.273 2.531 2.322 3.564 . 0 0 "[ . 1 . 2 ]" 1
94 1 47 MET H 1 47 MET HB2 3.041 . 3.953 2.646 2.267 3.596 . 0 0 "[ . 1 . 2 ]" 1
95 1 49 LEU H 1 49 LEU HB3 2.964 . 3.853 2.746 1.864 3.450 . 0 0 "[ . 1 . 2 ]" 1
96 1 49 LEU HB3 1 50 MET H 3.073 . 3.995 2.033 1.490 2.637 . 0 0 "[ . 1 . 2 ]" 1
97 1 46 ILE MD 1 50 MET H 3.682 . 5.787 3.856 3.252 4.712 . 0 0 "[ . 1 . 2 ]" 1
98 1 50 MET H 1 50 MET HB3 3.013 . 3.917 2.418 1.899 3.490 . 0 0 "[ . 1 . 2 ]" 1
99 1 50 MET H 1 50 MET HB2 2.995 . 3.894 2.586 2.350 3.574 . 0 0 "[ . 1 . 2 ]" 1
100 1 52 LEU H 1 52 LEU HB3 2.756 . 3.583 3.573 3.472 3.634 0.051 12 0 "[ . 1 . 2 ]" 1
101 1 52 LEU HB2 1 53 ALA H 3.083 . 4.008 2.359 2.080 2.526 . 0 0 "[ . 1 . 2 ]" 1
102 1 52 LEU HB3 1 53 ALA H 3.529 . 4.588 3.176 2.623 3.444 . 0 0 "[ . 1 . 2 ]" 1
103 1 53 ALA H 1 53 ALA MB 2.499 . 4.249 2.157 2.104 2.222 . 0 0 "[ . 1 . 2 ]" 1
104 1 52 LEU H 1 53 ALA MB 3.302 . 5.293 4.138 3.989 4.275 . 0 0 "[ . 1 . 2 ]" 1
105 1 53 ALA MB 1 54 VAL H 2.775 . 4.607 2.877 2.161 3.546 . 0 0 "[ . 1 . 2 ]" 1
106 1 54 VAL H 1 54 VAL HB 2.810 . 3.653 2.404 2.205 3.541 . 0 0 "[ . 1 . 2 ]" 1
107 1 54 VAL H 1 54 VAL QG 2.438 . 5.569 2.317 2.106 2.626 . 0 0 "[ . 1 . 2 ]" 1
108 1 54 VAL QG 1 55 SER H 2.883 . 6.148 2.851 2.307 3.666 . 0 0 "[ . 1 . 2 ]" 1
109 1 56 THR H 1 56 THR MG 3.175 . 5.127 3.599 3.422 3.747 . 0 0 "[ . 1 . 2 ]" 1
110 1 56 THR MG 1 57 GLY H 2.942 . 4.825 2.827 2.527 3.009 . 0 0 "[ . 1 . 2 ]" 1
111 1 58 THR H 1 58 THR HB 2.634 . 3.424 2.666 2.552 3.108 . 0 0 "[ . 1 . 2 ]" 1
112 1 58 THR H 1 58 THR MG 2.955 . 4.841 3.816 3.781 3.899 . 0 0 "[ . 1 . 2 ]" 1
113 1 58 THR HB 1 59 GLU H 3.140 . 4.082 3.998 3.760 4.109 0.027 17 0 "[ . 1 . 2 ]" 1
114 1 58 THR MG 1 59 GLU H 2.612 . 4.396 2.477 2.207 2.705 . 0 0 "[ . 1 . 2 ]" 1
115 1 59 GLU H 1 59 GLU HB3 3.181 . 4.135 3.480 2.709 3.747 . 0 0 "[ . 1 . 2 ]" 1
116 1 62 LEU H 1 62 LEU HB2 2.560 . 3.328 2.386 2.082 2.642 . 0 0 "[ . 1 . 2 ]" 1
117 1 63 ILE H 1 63 ILE HB 3.005 . 3.906 2.461 2.177 2.663 . 0 0 "[ . 1 . 2 ]" 1
118 1 63 ILE HB 1 64 ALA H 4.027 . 5.235 3.734 3.433 4.002 . 0 0 "[ . 1 . 2 ]" 1
119 1 63 ILE HG13 1 64 ALA H 3.996 . 5.195 5.013 4.831 5.196 0.001 3 0 "[ . 1 . 2 ]" 1
120 1 64 ALA H 1 64 ALA MB 3.043 . 4.956 2.722 2.637 2.839 . 0 0 "[ . 1 . 2 ]" 1
121 1 64 ALA H 1 65 GLN QG 3.962 . 6.151 5.442 4.922 5.590 . 0 0 "[ . 1 . 2 ]" 1
122 1 65 GLN QB 1 66 GLY H 3.580 . 4.654 3.993 3.904 4.074 . 0 0 "[ . 1 . 2 ]" 1
123 1 67 GLU H 1 67 GLU QB 2.477 . 4.220 2.425 2.160 2.622 . 0 0 "[ . 1 . 2 ]" 1
124 1 67 GLU H 1 67 GLU QG 2.815 . 4.659 2.009 1.808 2.617 . 0 0 "[ . 1 . 2 ]" 1
125 1 30 SER HB2 1 68 ASP H 3.375 . 4.388 4.200 3.926 4.408 0.020 8 0 "[ . 1 . 2 ]" 1
126 1 68 ASP H 1 68 ASP HB2 2.937 . 3.818 2.822 2.570 3.749 . 0 0 "[ . 1 . 2 ]" 1
127 1 69 GLU H 1 69 GLU QB 2.866 . 3.533 2.277 2.056 2.601 . 0 0 "[ . 1 . 2 ]" 1
128 1 68 ASP H 1 69 GLU QB 3.667 . 4.767 4.323 3.949 4.615 . 0 0 "[ . 1 . 2 ]" 1
129 1 69 GLU QB 1 70 GLN H 3.190 . 4.147 2.399 1.764 3.399 . 0 0 "[ . 1 . 2 ]" 1
130 1 71 GLU H 1 71 GLU QG 2.627 . 4.415 3.755 3.357 3.940 . 0 0 "[ . 1 . 2 ]" 1
131 1 72 ALA H 1 72 ALA MB 2.470 . 4.211 2.008 1.925 2.061 . 0 0 "[ . 1 . 2 ]" 1
132 1 71 GLU H 1 72 ALA MB 3.132 . 5.072 3.977 3.460 4.144 . 0 0 "[ . 1 . 2 ]" 1
133 1 76 LEU H 1 76 LEU MD1 2.891 . 4.758 3.656 3.036 4.086 . 0 0 "[ . 1 . 2 ]" 1
134 1 76 LEU H 1 76 LEU MD2 2.933 . 4.813 2.326 1.681 4.026 . 0 0 "[ . 1 . 2 ]" 1
135 1 75 LYS H 1 76 LEU MD2 4.099 . 6.329 4.153 3.365 6.361 0.032 17 0 "[ . 1 . 2 ]" 1
136 1 76 LEU HB2 1 77 ALA H 2.944 . 3.827 2.763 2.453 3.627 . 0 0 "[ . 1 . 2 ]" 1
137 1 77 ALA H 1 80 VAL QG 3.494 . 6.942 3.622 3.367 3.901 . 0 0 "[ . 1 . 2 ]" 1
138 1 76 LEU MD2 1 77 ALA H 3.466 . 5.506 4.238 3.874 4.471 . 0 0 "[ . 1 . 2 ]" 1
139 1 77 ALA MB 1 78 ALA H 2.406 . 4.128 2.793 2.502 2.982 . 0 0 "[ . 1 . 2 ]" 1
140 1 78 ALA H 1 78 ALA MB 2.231 . 3.900 2.175 2.138 2.206 . 0 0 "[ . 1 . 2 ]" 1
141 1 78 ALA MB 1 79 TYR H 2.609 . 4.392 2.111 1.933 2.260 . 0 0 "[ . 1 . 2 ]" 1
142 1 79 TYR H 1 79 TYR HB3 2.609 . 3.392 2.399 2.162 2.690 . 0 0 "[ . 1 . 2 ]" 1
143 1 79 TYR H 1 79 TYR HB2 2.487 . 3.233 2.298 1.937 2.472 . 0 0 "[ . 1 . 2 ]" 1
144 1 79 TYR HB3 1 80 VAL H 3.076 . 3.999 2.372 1.947 2.916 . 0 0 "[ . 1 . 2 ]" 1
145 1 79 TYR HB2 1 80 VAL H 3.127 . 4.065 3.727 3.483 3.993 . 0 0 "[ . 1 . 2 ]" 1
146 1 80 VAL H 1 80 VAL HB 3.590 . 4.667 3.559 3.502 3.629 . 0 0 "[ . 1 . 2 ]" 1
147 1 80 VAL H 1 80 VAL QG 2.457 . 5.594 1.656 1.598 1.741 . 0 0 "[ . 1 . 2 ]" 1
148 1 76 LEU MD2 1 79 TYR H 3.418 . 5.443 4.637 4.311 5.277 . 0 0 "[ . 1 . 2 ]" 1
149 1 79 TYR H 1 80 VAL QG 3.213 . 6.577 3.386 3.083 3.638 . 0 0 "[ . 1 . 2 ]" 1
150 1 80 VAL QG 1 81 GLN H 2.772 . 6.004 2.070 1.730 2.346 . 0 0 "[ . 1 . 2 ]" 1
151 1 81 GLN H 1 81 GLN QB 2.822 . 3.505 2.587 2.364 2.759 . 0 0 "[ . 1 . 2 ]" 1
152 1 81 GLN H 1 81 GLN QG 3.118 . 4.053 1.951 1.736 2.159 . 0 0 "[ . 1 . 2 ]" 1
153 1 80 VAL H 1 81 GLN QB 4.562 . 5.931 4.850 4.438 5.124 . 0 0 "[ . 1 . 2 ]" 1
154 1 80 VAL QG 1 82 GLU H 3.314 . 6.708 3.827 3.412 4.150 . 0 0 "[ . 1 . 2 ]" 1
155 1 81 GLN H 1 82 GLU QB 3.302 . 4.293 3.619 3.318 4.126 . 0 0 "[ . 1 . 2 ]" 1
156 1 84 VAL H 1 84 VAL QG 2.487 . 5.633 2.622 2.045 3.263 . 0 0 "[ . 1 . 2 ]" 1
157 1 3 GLN H 1 63 ILE HG12 5.071 . 6.592 5.061 4.234 5.719 . 0 0 "[ . 1 . 2 ]" 1
158 1 2 GLN HG2 1 3 GLN H 2.717 . 3.532 2.966 2.076 4.146 0.614 23 1 "[ . 1 . 2 + ]" 1
159 1 11 THR H 1 13 LEU QD 4.543 . 8.306 4.177 3.631 4.599 . 0 0 "[ . 1 . 2 ]" 1
160 1 11 THR HG1 1 12 GLY H 3.032 . 3.942 3.225 2.399 3.997 0.055 7 0 "[ . 1 . 2 ]" 1
161 1 12 GLY H 1 13 LEU QD 4.216 . 7.881 3.076 2.400 3.998 . 0 0 "[ . 1 . 2 ]" 1
162 1 15 ALA H 1 18 ALA MB 3.423 . 5.450 2.758 2.016 4.427 . 0 0 "[ . 1 . 2 ]" 1
163 1 25 ALA H 1 76 LEU MD2 3.013 . 4.917 2.482 1.847 3.067 . 0 0 "[ . 1 . 2 ]" 1
164 1 30 SER H 1 67 GLU QB 3.844 . 5.997 4.583 3.507 5.255 . 0 0 "[ . 1 . 2 ]" 1
165 1 28 PHE HB3 1 30 SER H 3.178 . 4.131 3.538 2.742 4.150 0.019 20 0 "[ . 1 . 2 ]" 1
166 1 35 GLU H 1 60 VAL HB 3.623 . 4.710 3.137 2.687 4.512 . 0 0 "[ . 1 . 2 ]" 1
167 1 37 ASP HB2 1 38 GLY H 3.918 . 5.093 4.144 4.069 4.246 . 0 0 "[ . 1 . 2 ]" 1
168 1 32 VAL HB 1 43 ALA H 4.259 . 5.537 4.219 3.839 4.600 . 0 0 "[ . 1 . 2 ]" 1
169 1 13 LEU HB3 1 54 VAL H 3.562 . 4.631 4.064 3.261 4.788 0.157 19 0 "[ . 1 . 2 ]" 1
170 1 52 LEU HB2 1 54 VAL H 3.710 . 4.823 4.829 4.666 5.227 0.404 12 0 "[ . 1 . 2 ]" 1
171 1 8 ARG QG 1 57 GLY H 3.818 . 4.963 2.882 2.469 3.222 . 0 0 "[ . 1 . 2 ]" 1
172 1 9 LEU QB 1 57 GLY H 3.604 . 5.685 2.440 1.967 3.204 . 0 0 "[ . 1 . 2 ]" 1
173 1 56 THR MG 1 58 THR H 3.700 . 5.810 4.726 4.501 4.766 . 0 0 "[ . 1 . 2 ]" 1
174 1 33 PHE HB3 1 63 ILE H 3.963 . 5.152 4.253 3.914 4.673 . 0 0 "[ . 1 . 2 ]" 1
175 1 68 ASP H 1 68 ASP HB3 3.160 . 4.108 3.758 3.448 3.866 . 0 0 "[ . 1 . 2 ]" 1
176 1 30 SER HB3 1 68 ASP H 3.535 . 4.596 4.098 3.762 4.454 . 0 0 "[ . 1 . 2 ]" 1
177 1 68 ASP HB2 1 71 GLU H 3.632 . 4.722 4.603 3.289 4.800 0.078 19 0 "[ . 1 . 2 ]" 1
178 1 68 ASP HB3 1 71 GLU H 3.573 . 4.645 3.996 3.518 4.813 0.168 8 0 "[ . 1 . 2 ]" 1
179 1 78 ALA H 1 80 VAL QG 3.098 . 6.427 3.736 3.418 3.994 . 0 0 "[ . 1 . 2 ]" 1
180 1 76 LEU HB2 1 78 ALA H 3.790 . 4.927 4.942 4.705 5.288 0.361 17 0 "[ . 1 . 2 ]" 1
181 1 2 GLN HA 1 3 GLN H 2.677 . 3.480 2.162 2.004 2.269 . 0 0 "[ . 1 . 2 ]" 1
182 1 3 GLN HA 1 4 LYS H 2.528 . 3.286 2.467 2.318 2.705 . 0 0 "[ . 1 . 2 ]" 1
183 1 5 VAL HA 1 6 GLU H 2.443 . 3.176 2.275 2.183 2.550 . 0 0 "[ . 1 . 2 ]" 1
184 1 6 GLU HA 1 7 VAL H 2.438 . 3.169 2.211 2.081 2.361 . 0 0 "[ . 1 . 2 ]" 1
185 1 7 VAL HA 1 8 ARG H 2.482 . 3.227 2.463 2.290 2.716 . 0 0 "[ . 1 . 2 ]" 1
186 1 8 ARG HA 1 9 LEU H 2.665 . 3.465 2.116 2.010 2.262 . 0 0 "[ . 1 . 2 ]" 1
187 1 10 LYS HA 1 11 THR H 3.662 . 4.761 3.526 3.420 3.610 . 0 0 "[ . 1 . 2 ]" 1
188 1 14 GLN HA 1 15 ALA H 2.969 . 3.860 3.352 2.331 3.724 . 0 0 "[ . 1 . 2 ]" 1
189 1 17 PRO HA 1 18 ALA H 3.439 . 4.471 3.541 3.425 3.639 . 0 0 "[ . 1 . 2 ]" 1
190 1 20 LEU HA 1 21 PHE H 3.707 . 4.819 3.548 3.495 3.610 . 0 0 "[ . 1 . 2 ]" 1
191 1 21 PHE HA 1 22 VAL H 3.455 . 4.492 3.592 3.550 3.659 . 0 0 "[ . 1 . 2 ]" 1
192 1 22 VAL HA 1 23 GLN H 3.718 . 4.833 3.571 3.510 3.638 . 0 0 "[ . 1 . 2 ]" 1
193 1 26 ASN HA 1 27 ARG H 3.428 . 4.456 3.531 3.456 3.595 . 0 0 "[ . 1 . 2 ]" 1
194 1 28 PHE H 1 28 PHE HA 2.842 . 3.695 2.894 2.792 2.955 . 0 0 "[ . 1 . 2 ]" 1
195 1 29 THR HA 1 30 SER H 3.327 . 4.325 2.911 2.289 3.504 . 0 0 "[ . 1 . 2 ]" 1
196 1 29 THR H 1 30 SER HA 5.079 . 6.603 5.001 4.331 5.417 . 0 0 "[ . 1 . 2 ]" 1
197 1 32 VAL HA 1 33 PHE H 2.651 . 3.446 2.242 2.110 2.417 . 0 0 "[ . 1 . 2 ]" 1
198 1 33 PHE HA 1 34 LEU H 2.729 . 3.548 2.378 2.279 2.548 . 0 0 "[ . 1 . 2 ]" 1
199 1 34 LEU HA 1 35 GLU H 2.635 . 3.425 2.149 1.921 2.226 . 0 0 "[ . 1 . 2 ]" 1
200 1 35 GLU HA 1 36 LYS H 2.651 . 3.446 2.301 2.163 2.508 . 0 0 "[ . 1 . 2 ]" 1
201 1 36 LYS HA 1 37 ASP H 3.339 . 4.341 2.279 2.171 2.422 . 0 0 "[ . 1 . 2 ]" 1
202 1 39 LYS H 1 39 LYS HA 2.892 . 3.760 2.897 2.874 2.921 . 0 0 "[ . 1 . 2 ]" 1
203 1 39 LYS HA 1 40 LYS H 2.462 . 3.201 2.378 2.190 2.473 . 0 0 "[ . 1 . 2 ]" 1
204 1 40 LYS HA 1 41 VAL H 2.651 . 3.446 2.074 1.982 2.185 . 0 0 "[ . 1 . 2 ]" 1
205 1 42 ASN HA 1 43 ALA H 2.688 . 3.494 1.971 1.908 2.062 . 0 0 "[ . 1 . 2 ]" 1
206 1 45 SER H 1 45 SER HA 2.833 . 3.683 2.960 2.916 2.986 . 0 0 "[ . 1 . 2 ]" 1
207 1 44 LYS H 1 45 SER HA 4.033 . 5.243 5.025 4.323 5.183 . 0 0 "[ . 1 . 2 ]" 1
208 1 45 SER HA 1 46 ILE H 2.858 . 3.715 2.326 2.129 2.531 . 0 0 "[ . 1 . 2 ]" 1
209 1 49 LEU HA 1 50 MET H 2.942 . 3.825 3.563 3.483 3.622 . 0 0 "[ . 1 . 2 ]" 1
210 1 53 ALA H 1 53 ALA HA 2.394 . 3.112 2.802 2.687 2.923 . 0 0 "[ . 1 . 2 ]" 1
211 1 53 ALA HA 1 54 VAL H 2.708 . 3.520 3.460 2.170 3.563 0.043 20 0 "[ . 1 . 2 ]" 1
212 1 54 VAL HA 1 55 SER H 2.810 . 3.653 3.386 2.402 3.519 . 0 0 "[ . 1 . 2 ]" 1
213 1 55 SER HA 1 56 THR H 3.054 . 3.970 2.497 2.328 2.592 . 0 0 "[ . 1 . 2 ]" 1
214 1 58 THR HA 1 59 GLU H 2.470 . 3.211 2.296 2.216 2.437 . 0 0 "[ . 1 . 2 ]" 1
215 1 59 GLU HA 1 60 VAL H 2.443 . 3.176 2.148 1.981 2.271 . 0 0 "[ . 1 . 2 ]" 1
216 1 62 LEU H 1 62 LEU HA 2.966 . 3.856 2.932 2.884 2.974 . 0 0 "[ . 1 . 2 ]" 1
217 1 62 LEU HA 1 63 ILE H 2.830 . 3.679 2.036 1.932 2.108 . 0 0 "[ . 1 . 2 ]" 1
218 1 63 ILE HA 1 64 ALA H 2.673 . 3.475 2.267 2.201 2.389 . 0 0 "[ . 1 . 2 ]" 1
219 1 4 LYS HA 1 63 ILE H 4.353 . 5.659 4.186 3.999 4.379 . 0 0 "[ . 1 . 2 ]" 1
220 1 65 GLN HA 1 66 GLY H 2.894 . 3.762 2.341 2.225 2.468 . 0 0 "[ . 1 . 2 ]" 1
221 1 67 GLU H 1 67 GLU HA 2.888 . 3.754 2.812 2.688 2.910 . 0 0 "[ . 1 . 2 ]" 1
222 1 67 GLU HA 1 68 ASP H 3.213 . 4.177 3.611 3.506 3.671 . 0 0 "[ . 1 . 2 ]" 1
223 1 68 ASP H 1 68 ASP HA 2.975 . 3.868 2.994 2.948 3.014 . 0 0 "[ . 1 . 2 ]" 1
224 1 68 ASP HA 1 69 GLU H 3.366 . 4.376 2.911 2.664 3.234 . 0 0 "[ . 1 . 2 ]" 1
225 1 68 ASP H 1 69 GLU HA 3.764 . 4.893 4.040 3.782 4.320 . 0 0 "[ . 1 . 2 ]" 1
226 1 69 GLU HA 1 70 GLN H 3.940 . 5.122 3.563 3.495 3.636 . 0 0 "[ . 1 . 2 ]" 1
227 1 70 GLN H 1 70 GLN HA 2.977 . 3.870 2.737 2.673 2.923 . 0 0 "[ . 1 . 2 ]" 1
228 1 71 GLU HA 1 72 ALA H 3.209 . 4.172 3.571 3.471 3.623 . 0 0 "[ . 1 . 2 ]" 1
229 1 72 ALA H 1 72 ALA HA 2.746 . 3.570 2.830 2.697 2.871 . 0 0 "[ . 1 . 2 ]" 1
230 1 74 GLU HA 1 75 LYS H 3.105 . 4.037 3.639 3.569 3.692 . 0 0 "[ . 1 . 2 ]" 1
231 1 75 LYS H 1 75 LYS HA 2.894 . 3.762 2.853 2.790 2.911 . 0 0 "[ . 1 . 2 ]" 1
232 1 77 ALA HA 1 78 ALA H 2.852 . 3.708 3.565 3.481 3.596 . 0 0 "[ . 1 . 2 ]" 1
233 1 82 GLU H 1 82 GLU HA 2.616 . 3.401 2.781 2.472 2.973 . 0 0 "[ . 1 . 2 ]" 1
234 1 83 GLU H 1 83 GLU HA 2.733 . 3.553 2.947 2.751 2.993 . 0 0 "[ . 1 . 2 ]" 1
235 1 84 VAL H 1 84 VAL HA 2.749 . 3.574 2.872 2.447 2.979 . 0 0 "[ . 1 . 2 ]" 1
236 1 26 ASN HA 1 28 PHE H 3.490 . 4.537 4.260 3.831 4.563 0.026 13 0 "[ . 1 . 2 ]" 1
237 1 36 LYS H 1 40 LYS HA 3.344 . 4.347 3.353 2.937 3.582 . 0 0 "[ . 1 . 2 ]" 1
238 1 3 GLN H 1 65 GLN HA 3.548 . 4.612 3.318 2.889 4.156 . 0 0 "[ . 1 . 2 ]" 1
239 1 17 PRO HA 1 19 ALA H 3.266 . 4.246 4.327 4.197 4.424 0.178 11 0 "[ . 1 . 2 ]" 1
240 1 31 ASP H 1 66 GLY HA3 3.323 . 4.320 3.002 2.561 3.246 . 0 0 "[ . 1 . 2 ]" 1
241 1 34 LEU H 1 40 LYS HA 3.874 . 5.036 3.466 3.285 3.643 . 0 0 "[ . 1 . 2 ]" 1
242 1 35 GLU H 1 40 LYS HA 4.725 . 6.143 3.733 3.262 3.937 . 0 0 "[ . 1 . 2 ]" 1
243 1 35 GLU H 1 62 LEU HA 3.903 . 5.074 3.812 3.535 4.137 . 0 0 "[ . 1 . 2 ]" 1
244 1 35 GLU HA 1 39 LYS H 3.444 . 4.477 3.853 3.689 4.087 . 0 0 "[ . 1 . 2 ]" 1
245 1 38 GLY HA2 1 39 LYS H 2.951 . 3.836 3.570 3.521 3.609 . 0 0 "[ . 1 . 2 ]" 1
246 1 38 GLY HA3 1 39 LYS H 3.013 . 3.917 3.096 3.017 3.172 . 0 0 "[ . 1 . 2 ]" 1
247 1 33 PHE HA 1 43 ALA H 2.868 . 3.728 1.466 1.246 1.626 . 0 0 "[ . 1 . 2 ]" 1
248 1 12 GLY HA3 1 56 THR H 4.507 . 5.859 2.363 2.171 2.721 . 0 0 "[ . 1 . 2 ]" 1
249 1 61 THR H 1 61 THR HA 2.899 . 3.769 2.903 2.840 2.961 . 0 0 "[ . 1 . 2 ]" 1
250 1 36 LYS HA 1 61 THR H 3.956 . 5.143 3.987 2.897 4.376 . 0 0 "[ . 1 . 2 ]" 1
251 1 34 LEU HA 1 61 THR H 3.951 . 5.136 4.375 4.121 4.607 . 0 0 "[ . 1 . 2 ]" 1
252 1 34 LEU HA 1 63 ILE H 3.864 . 5.023 3.151 2.666 3.669 . 0 0 "[ . 1 . 2 ]" 1
253 1 2 GLN HA 1 64 ALA H 4.392 . 5.710 3.978 3.723 4.389 . 0 0 "[ . 1 . 2 ]" 1
254 1 2 GLN HA 1 66 GLY H 4.132 . 5.372 4.089 3.553 4.891 . 0 0 "[ . 1 . 2 ]" 1
255 1 30 SER HA 1 66 GLY H 4.841 . 6.293 3.137 2.717 3.467 . 0 0 "[ . 1 . 2 ]" 1
256 1 66 GLY H 1 69 GLU HA 3.604 . 4.685 2.443 2.012 2.846 . 0 0 "[ . 1 . 2 ]" 1
257 1 65 GLN HA 1 69 GLU H 3.813 . 4.957 5.000 4.400 5.118 0.161 11 0 "[ . 1 . 2 ]" 1
258 1 67 GLU HA 1 69 GLU H 4.083 . 5.308 3.919 3.523 4.212 . 0 0 "[ . 1 . 2 ]" 1
259 1 68 ASP HA 1 70 GLN H 3.961 . 5.149 4.769 4.133 5.174 0.025 12 0 "[ . 1 . 2 ]" 1
260 1 68 ASP HA 1 71 GLU H 3.759 . 4.887 3.701 3.239 4.285 . 0 0 "[ . 1 . 2 ]" 1
261 1 69 GLU HA 1 72 ALA H 3.509 . 4.562 3.871 3.508 4.225 . 0 0 "[ . 1 . 2 ]" 1
262 1 73 LEU HA 1 76 LEU H 3.878 . 5.041 3.894 3.553 4.440 . 0 0 "[ . 1 . 2 ]" 1
263 1 77 ALA HA 1 80 VAL H 3.909 . 5.082 3.577 3.211 3.837 . 0 0 "[ . 1 . 2 ]" 1
264 1 81 GLN HA 1 82 GLU H 3.418 . 4.443 3.409 3.179 3.581 . 0 0 "[ . 1 . 2 ]" 1
265 1 3 GLN H 1 4 LYS H 3.829 . 4.978 4.421 4.282 4.568 . 0 0 "[ . 1 . 2 ]" 1
266 1 4 LYS H 1 5 VAL H 4.467 . 5.807 4.274 4.066 4.373 . 0 0 "[ . 1 . 2 ]" 1
267 1 5 VAL H 1 6 GLU H 3.758 . 4.885 4.324 4.185 4.511 . 0 0 "[ . 1 . 2 ]" 1
268 1 6 GLU H 1 7 VAL H 3.683 . 4.788 4.598 4.528 4.681 . 0 0 "[ . 1 . 2 ]" 1
269 1 7 VAL H 1 8 ARG H 3.756 . 4.883 4.392 4.336 4.460 . 0 0 "[ . 1 . 2 ]" 1
270 1 10 LYS H 1 11 THR H 3.196 . 4.155 2.509 2.203 2.653 . 0 0 "[ . 1 . 2 ]" 1
271 1 12 GLY H 1 13 LEU H 4.601 . 5.981 2.602 1.993 3.643 . 0 0 "[ . 1 . 2 ]" 1
272 1 13 LEU H 1 14 GLN H 3.893 . 5.061 3.202 2.550 3.473 . 0 0 "[ . 1 . 2 ]" 1
273 1 14 GLN H 1 15 ALA H 4.706 . 6.118 2.840 2.137 4.355 . 0 0 "[ . 1 . 2 ]" 1
274 1 18 ALA H 1 19 ALA H 2.891 . 3.758 2.769 2.357 3.015 . 0 0 "[ . 1 . 2 ]" 1
275 1 23 GLN H 1 24 GLU H 2.911 . 3.784 2.779 2.528 3.109 . 0 0 "[ . 1 . 2 ]" 1
276 1 24 GLU H 1 25 ALA H 3.005 . 3.906 2.472 2.353 2.644 . 0 0 "[ . 1 . 2 ]" 1
277 1 25 ALA H 1 26 ASN H 3.061 . 3.979 2.693 2.564 2.825 . 0 0 "[ . 1 . 2 ]" 1
278 1 26 ASN H 1 28 PHE H 4.027 . 5.235 4.350 4.010 5.060 . 0 0 "[ . 1 . 2 ]" 1
279 1 26 ASN H 1 27 ARG H 3.011 . 3.914 2.674 2.392 2.920 . 0 0 "[ . 1 . 2 ]" 1
280 1 27 ARG H 1 28 PHE H 2.830 . 3.679 2.711 2.220 3.489 . 0 0 "[ . 1 . 2 ]" 1
281 1 28 PHE H 1 29 THR H 6.000 . 7.800 3.966 2.771 4.539 . 0 0 "[ . 1 . 2 ]" 1
282 1 29 THR H 1 30 SER H 2.995 . 3.894 3.004 2.107 3.678 . 0 0 "[ . 1 . 2 ]" 1
283 1 30 SER H 1 31 ASP H 3.865 . 5.025 4.443 4.359 4.596 . 0 0 "[ . 1 . 2 ]" 1
284 1 31 ASP H 1 32 VAL H 4.199 . 5.459 3.957 3.627 4.306 . 0 0 "[ . 1 . 2 ]" 1
285 1 32 VAL H 1 33 PHE H 3.954 . 5.140 4.622 4.560 4.671 . 0 0 "[ . 1 . 2 ]" 1
286 1 33 PHE H 1 34 LEU H 3.966 . 5.156 4.422 4.378 4.480 . 0 0 "[ . 1 . 2 ]" 1
287 1 34 LEU H 1 35 GLU H 3.932 . 5.112 4.054 3.734 4.242 . 0 0 "[ . 1 . 2 ]" 1
288 1 35 GLU H 1 36 LYS H 3.770 . 4.901 4.138 3.942 4.277 . 0 0 "[ . 1 . 2 ]" 1
289 1 36 LYS H 1 37 ASP H 5.121 . 6.657 4.220 3.967 4.379 . 0 0 "[ . 1 . 2 ]" 1
290 1 37 ASP H 1 38 GLY H 3.990 . 5.187 2.710 2.596 2.800 . 0 0 "[ . 1 . 2 ]" 1
291 1 38 GLY H 1 39 LYS H 2.800 . 3.640 2.532 2.475 2.606 . 0 0 "[ . 1 . 2 ]" 1
292 1 39 LYS H 1 40 LYS H 3.620 . 4.706 3.882 3.742 4.146 . 0 0 "[ . 1 . 2 ]" 1
293 1 40 LYS H 1 41 VAL H 4.039 . 5.251 4.546 4.482 4.587 . 0 0 "[ . 1 . 2 ]" 1
294 1 41 VAL H 1 42 ASN H 4.138 . 5.379 4.421 4.334 4.494 . 0 0 "[ . 1 . 2 ]" 1
295 1 42 ASN H 1 43 ALA H 4.110 . 5.343 4.164 4.064 4.240 . 0 0 "[ . 1 . 2 ]" 1
296 1 43 ALA H 1 44 LYS H 3.279 . 4.263 2.872 2.623 3.679 . 0 0 "[ . 1 . 2 ]" 1
297 1 44 LYS H 1 45 SER H 2.719 . 3.535 2.436 1.717 2.635 . 0 0 "[ . 1 . 2 ]" 1
298 1 45 SER H 1 46 ILE H 4.656 . 6.053 4.470 4.297 4.572 . 0 0 "[ . 1 . 2 ]" 1
299 1 46 ILE H 1 47 MET H 3.375 . 4.388 3.188 2.807 3.703 . 0 0 "[ . 1 . 2 ]" 1
300 1 48 GLY H 1 49 LEU H 2.739 . 3.561 2.519 2.320 2.775 . 0 0 "[ . 1 . 2 ]" 1
301 1 49 LEU H 1 50 MET H 3.184 . 4.139 2.964 2.734 3.227 . 0 0 "[ . 1 . 2 ]" 1
302 1 50 MET H 1 51 SER H 3.080 . 4.004 2.569 2.331 2.895 . 0 0 "[ . 1 . 2 ]" 1
303 1 51 SER H 1 52 LEU H 3.093 . 4.021 2.964 2.698 3.153 . 0 0 "[ . 1 . 2 ]" 1
304 1 52 LEU H 1 53 ALA H 2.949 . 3.834 2.614 2.422 2.813 . 0 0 "[ . 1 . 2 ]" 1
305 1 53 ALA H 1 54 VAL H 3.403 . 4.424 2.853 2.679 3.586 . 0 0 "[ . 1 . 2 ]" 1
306 1 54 VAL H 1 55 SER H 4.419 . 5.745 2.789 1.633 3.574 . 0 0 "[ . 1 . 2 ]" 1
307 1 56 THR H 1 57 GLY H 4.581 . 5.955 4.478 4.361 4.560 . 0 0 "[ . 1 . 2 ]" 1
308 1 57 GLY H 1 58 THR H 3.064 . 3.983 2.554 2.306 2.797 . 0 0 "[ . 1 . 2 ]" 1
309 1 58 THR H 1 59 GLU H 3.976 . 5.169 4.625 4.529 4.705 . 0 0 "[ . 1 . 2 ]" 1
310 1 59 GLU H 1 60 VAL H 3.664 . 4.763 4.109 3.794 4.432 . 0 0 "[ . 1 . 2 ]" 1
311 1 62 LEU H 1 63 ILE H 3.483 . 4.528 4.319 4.223 4.419 . 0 0 "[ . 1 . 2 ]" 1
312 1 63 ILE H 1 64 ALA H 5.071 . 6.592 4.507 4.447 4.544 . 0 0 "[ . 1 . 2 ]" 1
313 1 64 ALA H 1 65 GLN H 3.370 . 4.381 3.784 3.440 4.078 . 0 0 "[ . 1 . 2 ]" 1
314 1 65 GLN H 1 66 GLY H 3.871 . 5.032 3.501 3.007 3.832 . 0 0 "[ . 1 . 2 ]" 1
315 1 66 GLY H 1 67 GLU H 4.225 . 5.492 4.223 4.053 4.309 . 0 0 "[ . 1 . 2 ]" 1
316 1 67 GLU H 1 68 ASP H 3.187 . 4.143 2.804 2.400 3.274 . 0 0 "[ . 1 . 2 ]" 1
317 1 68 ASP H 1 69 GLU H 3.023 . 3.930 2.760 2.282 3.331 . 0 0 "[ . 1 . 2 ]" 1
318 1 69 GLU H 1 70 GLN H 3.507 . 4.559 3.434 2.699 3.804 . 0 0 "[ . 1 . 2 ]" 1
319 1 70 GLN H 1 71 GLU H 3.007 . 3.909 2.966 2.652 3.169 . 0 0 "[ . 1 . 2 ]" 1
320 1 71 GLU H 1 72 ALA H 3.009 . 3.912 2.571 2.277 2.735 . 0 0 "[ . 1 . 2 ]" 1
321 1 72 ALA H 1 73 LEU H 2.908 . 3.780 2.681 2.570 2.930 . 0 0 "[ . 1 . 2 ]" 1
322 1 74 GLU H 1 75 LYS H 3.085 . 4.011 2.867 2.496 3.126 . 0 0 "[ . 1 . 2 ]" 1
323 1 75 LYS H 1 76 LEU H 3.066 . 3.986 2.703 2.372 2.869 . 0 0 "[ . 1 . 2 ]" 1
324 1 76 LEU H 1 77 ALA H 3.095 . 4.024 2.945 2.779 3.081 . 0 0 "[ . 1 . 2 ]" 1
325 1 77 ALA H 1 78 ALA H 2.895 . 3.764 2.719 2.575 2.839 . 0 0 "[ . 1 . 2 ]" 1
326 1 78 ALA H 1 79 TYR H 3.071 . 3.992 2.657 2.550 2.777 . 0 0 "[ . 1 . 2 ]" 1
327 1 79 TYR H 1 80 VAL H 2.677 . 3.480 2.840 2.681 3.009 . 0 0 "[ . 1 . 2 ]" 1
328 1 80 VAL H 1 81 GLN H 3.093 . 4.021 2.885 2.501 3.104 . 0 0 "[ . 1 . 2 ]" 1
329 1 81 GLN H 1 82 GLU H 2.900 . 3.770 2.243 1.941 2.490 . 0 0 "[ . 1 . 2 ]" 1
330 1 82 GLU H 1 83 GLU H 2.991 . 3.888 3.078 2.260 3.687 . 0 0 "[ . 1 . 2 ]" 1
331 1 83 GLU H 1 84 VAL H 2.921 . 3.797 3.638 3.287 3.929 0.132 8 0 "[ . 1 . 2 ]" 1
332 1 4 LYS H 1 64 ALA H 4.551 . 5.916 5.015 4.887 5.564 . 0 0 "[ . 1 . 2 ]" 1
333 1 9 LEU H 1 60 VAL H 3.779 . 4.913 3.326 2.724 4.066 . 0 0 "[ . 1 . 2 ]" 1
334 1 9 LEU H 1 58 THR H 4.097 . 5.326 3.061 2.578 3.808 . 0 0 "[ . 1 . 2 ]" 1
335 1 12 GLY H 1 56 THR H 5.845 . 7.598 4.656 4.227 5.036 . 0 0 "[ . 1 . 2 ]" 1
336 1 14 GLN H 1 18 ALA H 4.020 . 5.226 3.478 2.902 3.981 . 0 0 "[ . 1 . 2 ]" 1
337 1 15 ALA H 1 18 ALA H 4.960 . 6.448 3.555 2.774 4.870 . 0 0 "[ . 1 . 2 ]" 1
338 1 19 ALA H 1 21 PHE H 3.916 . 5.091 3.982 3.729 4.231 . 0 0 "[ . 1 . 2 ]" 1
339 1 22 VAL H 1 25 ALA H 4.176 . 5.429 4.868 4.761 4.977 . 0 0 "[ . 1 . 2 ]" 1
340 1 23 GLN H 1 25 ALA H 4.387 . 5.703 4.237 3.894 4.557 . 0 0 "[ . 1 . 2 ]" 1
341 1 24 GLU H 1 26 ASN H 5.484 . 7.129 3.812 3.461 3.977 . 0 0 "[ . 1 . 2 ]" 1
342 1 25 ALA H 1 27 ARG H 4.046 . 5.260 3.958 3.767 4.100 . 0 0 "[ . 1 . 2 ]" 1
343 1 28 PHE H 1 30 SER H 4.692 . 6.100 5.025 4.719 5.459 . 0 0 "[ . 1 . 2 ]" 1
344 1 37 ASP H 1 39 LYS H 4.765 . 6.194 4.036 3.917 4.236 . 0 0 "[ . 1 . 2 ]" 1
345 1 46 ILE H 1 49 LEU H 4.927 . 6.405 4.790 4.532 4.974 . 0 0 "[ . 1 . 2 ]" 1
346 1 45 SER H 1 49 LEU H 5.189 . 6.746 4.037 3.539 4.312 . 0 0 "[ . 1 . 2 ]" 1
347 1 49 LEU H 1 51 SER H 4.083 . 5.308 4.195 3.864 4.509 . 0 0 "[ . 1 . 2 ]" 1
348 1 51 SER H 1 53 ALA H 4.460 . 5.798 4.384 4.036 4.831 . 0 0 "[ . 1 . 2 ]" 1
349 1 52 LEU H 1 54 VAL H 4.593 . 5.971 4.006 3.799 5.253 . 0 0 "[ . 1 . 2 ]" 1
350 1 66 GLY H 1 68 ASP H 4.605 . 5.987 4.019 3.742 4.419 . 0 0 "[ . 1 . 2 ]" 1
351 1 30 SER H 1 67 GLU H 4.404 . 5.725 3.835 2.665 4.546 . 0 0 "[ . 1 . 2 ]" 1
352 1 30 SER H 1 68 ASP H 3.399 . 4.419 3.652 2.503 4.496 0.077 8 0 "[ . 1 . 2 ]" 1
353 1 69 GLU H 1 71 GLU H 4.836 . 6.287 4.242 3.717 4.723 . 0 0 "[ . 1 . 2 ]" 1
354 1 74 GLU H 1 76 LEU H 4.413 . 5.737 4.308 4.060 4.657 . 0 0 "[ . 1 . 2 ]" 1
355 1 76 LEU H 1 78 ALA H 3.996 . 5.195 4.018 3.794 4.165 . 0 0 "[ . 1 . 2 ]" 1
356 1 75 LYS H 1 77 ALA H 4.740 . 6.162 4.487 4.139 4.708 . 0 0 "[ . 1 . 2 ]" 1
357 1 77 ALA H 1 79 TYR H 4.651 . 6.046 4.342 4.230 4.437 . 0 0 "[ . 1 . 2 ]" 1
358 1 79 TYR H 1 81 GLN H 4.791 . 6.228 4.428 4.276 4.582 . 0 0 "[ . 1 . 2 ]" 1
359 1 80 VAL H 1 82 GLU H 4.692 . 6.100 4.270 3.881 4.497 . 0 0 "[ . 1 . 2 ]" 1
360 1 81 GLN H 1 83 GLU H 4.229 . 5.498 4.970 4.320 5.397 . 0 0 "[ . 1 . 2 ]" 1
361 1 9 LEU H 1 57 GLY H 4.085 . 5.311 3.361 2.799 3.952 . 0 0 "[ . 1 . 2 ]" 1
362 1 22 VAL H 1 24 GLU H 4.425 . 5.753 4.408 4.108 4.644 . 0 0 "[ . 1 . 2 ]" 1
363 1 36 LYS H 1 38 GLY H 4.232 . 5.502 3.782 3.670 3.918 . 0 0 "[ . 1 . 2 ]" 1
364 1 48 GLY H 1 51 SER H 4.558 . 5.925 4.245 4.092 4.616 . 0 0 "[ . 1 . 2 ]" 1
365 1 67 GLU H 1 69 GLU H 4.142 . 5.385 4.373 4.046 4.707 . 0 0 "[ . 1 . 2 ]" 1
366 1 10 LYS H 1 81 GLN H 5.457 . 7.094 4.392 4.162 4.665 . 0 0 "[ . 1 . 2 ]" 1
367 1 3 GLN H 1 63 ILE MG 2.587 . 4.363 2.667 2.379 2.917 . 0 0 "[ . 1 . 2 ]" 1
368 1 4 LYS H 1 4 LYS HB3 3.172 . 4.124 3.484 3.227 3.626 . 0 0 "[ . 1 . 2 ]" 1
369 1 4 LYS H 1 73 LEU QD 2.630 . 5.819 2.851 2.444 3.106 . 0 0 "[ . 1 . 2 ]" 1
370 1 6 GLU H 1 61 THR MG 3.798 . 5.937 2.653 1.990 4.274 . 0 0 "[ . 1 . 2 ]" 1
371 1 3 GLN H 1 4 LYS HA 4.347 . 5.651 4.712 4.443 4.915 . 0 0 "[ . 1 . 2 ]" 1
372 1 6 GLU H 1 61 THR HA 4.123 . 5.360 3.668 3.131 4.679 . 0 0 "[ . 1 . 2 ]" 1
373 1 8 ARG HA 1 60 VAL H 3.137 . 4.078 3.150 2.769 3.452 . 0 0 "[ . 1 . 2 ]" 1
374 1 7 VAL H 1 62 LEU H 3.455 . 4.492 4.073 3.741 4.412 . 0 0 "[ . 1 . 2 ]" 1
375 1 66 GLY H 1 69 GLU H 3.821 . 4.967 3.183 2.792 3.568 . 0 0 "[ . 1 . 2 ]" 1
376 1 32 VAL H 1 43 ALA H 5.040 . 6.552 5.003 4.789 5.142 . 0 0 "[ . 1 . 2 ]" 1
377 1 32 VAL H 1 65 GLN H 6.000 . 7.800 3.973 3.395 4.304 . 0 0 "[ . 1 . 2 ]" 1
378 1 70 GLN H 1 73 LEU H 4.877 . 6.340 4.936 4.830 5.571 . 0 0 "[ . 1 . 2 ]" 1
379 1 68 ASP H 1 70 GLN H 4.889 . 6.356 5.949 5.543 6.258 . 0 0 "[ . 1 . 2 ]" 1
380 1 70 GLN H 1 73 LEU QD 3.157 . 6.504 2.865 2.633 3.505 . 0 0 "[ . 1 . 2 ]" 1
381 1 64 ALA MB 1 70 GLN H 6.000 . 8.800 4.354 4.173 4.651 . 0 0 "[ . 1 . 2 ]" 1
382 1 71 GLU H 1 73 LEU H 3.604 . 4.685 4.214 3.773 4.427 . 0 0 "[ . 1 . 2 ]" 1
383 1 71 GLU H 1 73 LEU QD 3.564 . 7.033 3.833 2.592 4.132 . 0 0 "[ . 1 . 2 ]" 1
384 1 68 ASP HB3 1 72 ALA H 3.323 . 4.320 3.320 2.388 4.799 0.479 14 0 "[ . 1 . 2 ]" 1
385 1 71 GLU QG 1 72 ALA H 2.889 . 4.756 2.938 2.334 3.462 . 0 0 "[ . 1 . 2 ]" 1
386 1 71 GLU QB 1 72 ALA H 2.442 . 4.175 2.439 2.005 2.966 . 0 0 "[ . 1 . 2 ]" 1
387 1 64 ALA MB 1 72 ALA H 3.394 . 5.412 3.119 2.916 3.307 . 0 0 "[ . 1 . 2 ]" 1
388 1 74 GLU H 1 74 GLU HA 2.463 . 3.202 2.846 2.778 2.914 . 0 0 "[ . 1 . 2 ]" 1
389 1 74 GLU H 1 74 GLU HG3 2.949 . 3.834 3.065 1.977 3.686 . 0 0 "[ . 1 . 2 ]" 1
390 1 74 GLU H 1 74 GLU HG2 3.477 . 4.520 2.564 1.797 3.836 . 0 0 "[ . 1 . 2 ]" 1
391 1 74 GLU H 1 77 ALA H 4.457 . 5.794 4.781 4.497 4.982 . 0 0 "[ . 1 . 2 ]" 1
392 1 75 LYS H 1 79 TYR H 6.000 . 7.800 5.930 5.817 6.102 . 0 0 "[ . 1 . 2 ]" 1
393 1 73 LEU HA 1 75 LYS H 4.190 . 5.447 4.818 4.467 5.069 . 0 0 "[ . 1 . 2 ]" 1
394 1 74 GLU HG3 1 75 LYS H 4.259 . 5.537 3.757 1.953 5.131 . 0 0 "[ . 1 . 2 ]" 1
395 1 74 GLU HG2 1 75 LYS H 4.441 . 5.773 3.916 2.330 5.096 . 0 0 "[ . 1 . 2 ]" 1
396 1 75 LYS H 1 75 LYS HG2 2.730 . 3.549 2.559 1.748 3.532 . 0 0 "[ . 1 . 2 ]" 1
397 1 72 ALA MB 1 75 LYS H 3.692 . 5.800 4.873 4.647 4.945 . 0 0 "[ . 1 . 2 ]" 1
398 1 73 LEU H 1 77 ALA H 5.087 . 6.613 5.850 5.587 6.180 . 0 0 "[ . 1 . 2 ]" 1
399 1 73 LEU HA 1 77 ALA H 3.770 . 4.901 3.685 3.275 4.005 . 0 0 "[ . 1 . 2 ]" 1
400 1 77 ALA H 1 77 ALA HA 2.856 . 3.713 2.850 2.807 2.888 . 0 0 "[ . 1 . 2 ]" 1
401 1 75 LYS H 1 78 ALA H 6.000 . 7.800 4.702 4.574 4.814 . 0 0 "[ . 1 . 2 ]" 1
402 1 78 ALA H 1 78 ALA HA 2.435 . 3.166 2.858 2.814 2.894 . 0 0 "[ . 1 . 2 ]" 1
403 1 78 ALA H 1 79 TYR HB2 3.736 . 4.857 4.785 4.431 4.949 0.092 23 0 "[ . 1 . 2 ]" 1
404 1 78 ALA H 1 79 TYR HB3 3.661 . 4.759 4.655 4.336 4.915 0.156 10 0 "[ . 1 . 2 ]" 1
405 1 76 LEU MD2 1 78 ALA H 4.238 . 6.509 5.147 4.804 5.841 . 0 0 "[ . 1 . 2 ]" 1
406 1 77 ALA HA 1 79 TYR H 3.848 . 5.002 4.506 4.391 4.683 . 0 0 "[ . 1 . 2 ]" 1
407 1 78 ALA H 1 80 VAL H 4.441 . 5.773 4.321 3.963 4.631 . 0 0 "[ . 1 . 2 ]" 1
408 1 78 ALA MB 1 80 VAL H 4.687 . 7.093 4.482 4.206 4.668 . 0 0 "[ . 1 . 2 ]" 1
409 1 13 LEU QD 1 80 VAL H 4.803 . 8.644 5.424 4.527 6.210 . 0 0 "[ . 1 . 2 ]" 1
410 1 76 LEU MD2 1 80 VAL H 4.770 . 7.201 5.201 4.246 6.556 . 0 0 "[ . 1 . 2 ]" 1
411 1 81 GLN H 1 81 GLN HE21 3.763 . 4.892 3.856 3.415 4.396 . 0 0 "[ . 1 . 2 ]" 1
412 1 7 VAL QG 1 81 GLN H 3.050 . 4.965 3.065 2.245 3.426 . 0 0 "[ . 1 . 2 ]" 1
413 1 81 GLN QB 1 82 GLU H 3.706 . 4.818 3.674 3.291 4.069 . 0 0 "[ . 1 . 2 ]" 1
414 1 80 VAL QG 1 83 GLU H 4.859 . 8.717 5.746 5.327 6.078 . 0 0 "[ . 1 . 2 ]" 1
415 1 15 ALA H 1 17 PRO HG2 3.306 . 4.298 3.900 3.279 4.606 0.308 23 0 "[ . 1 . 2 ]" 1
416 1 18 ALA H 1 21 PHE H 3.705 . 4.817 4.525 4.294 4.700 . 0 0 "[ . 1 . 2 ]" 1
417 1 13 LEU HA 1 18 ALA H 4.097 . 5.326 3.342 2.895 3.855 . 0 0 "[ . 1 . 2 ]" 1
418 1 15 ALA H 1 19 ALA H 4.444 . 5.777 4.596 3.876 5.793 0.016 23 0 "[ . 1 . 2 ]" 1
419 1 21 PHE H 1 22 VAL H 2.573 . 3.345 2.980 2.745 3.133 . 0 0 "[ . 1 . 2 ]" 1
420 1 20 LEU H 1 21 PHE H 2.900 . 3.770 2.684 2.456 2.895 . 0 0 "[ . 1 . 2 ]" 1
421 1 21 PHE H 1 23 GLN H 4.390 . 5.707 4.065 3.895 4.267 . 0 0 "[ . 1 . 2 ]" 1
422 1 23 GLN H 1 23 GLN HA 2.591 . 3.368 2.828 2.731 2.895 . 0 0 "[ . 1 . 2 ]" 1
423 1 23 GLN H 1 76 LEU MD2 4.136 . 6.377 5.730 4.995 6.737 0.360 5 0 "[ . 1 . 2 ]" 1
424 1 24 GLU H 1 24 GLU HA 2.695 . 3.503 2.914 2.880 2.961 . 0 0 "[ . 1 . 2 ]" 1
425 1 21 PHE HA 1 24 GLU H 3.403 . 4.424 3.686 3.304 3.957 . 0 0 "[ . 1 . 2 ]" 1
426 1 23 GLN HG3 1 24 GLU H 4.457 . 5.794 3.951 2.107 5.151 . 0 0 "[ . 1 . 2 ]" 1
427 1 24 GLU H 1 24 GLU HG2 3.095 . 4.024 2.034 1.649 2.485 . 0 0 "[ . 1 . 2 ]" 1
428 1 25 ALA H 1 25 ALA HA 2.975 . 3.868 2.824 2.771 2.872 . 0 0 "[ . 1 . 2 ]" 1
429 1 22 VAL HA 1 25 ALA H 3.339 . 4.341 3.788 3.584 4.006 . 0 0 "[ . 1 . 2 ]" 1
430 1 21 PHE HA 1 25 ALA H 3.985 . 5.181 3.922 3.626 4.171 . 0 0 "[ . 1 . 2 ]" 1
431 1 25 ALA HA 1 26 ASN H 2.975 . 3.868 3.532 3.495 3.581 . 0 0 "[ . 1 . 2 ]" 1
432 1 22 VAL HA 1 26 ASN H 4.490 . 5.837 3.792 3.508 4.135 . 0 0 "[ . 1 . 2 ]" 1
433 1 26 ASN H 1 27 ARG QB 4.286 . 5.572 4.457 3.948 5.039 . 0 0 "[ . 1 . 2 ]" 1
434 1 27 ARG H 1 28 PHE HB3 6.000 . 7.800 6.049 5.285 6.669 . 0 0 "[ . 1 . 2 ]" 1
435 1 20 LEU HA 1 23 GLN H 3.108 . 4.040 3.561 3.198 3.880 . 0 0 "[ . 1 . 2 ]" 1
436 1 74 GLU HA 1 77 ALA H 3.048 . 3.962 3.708 3.344 4.029 0.067 3 0 "[ . 1 . 2 ]" 1
437 1 79 TYR HA 1 82 GLU H 3.408 . 4.430 3.765 3.239 4.125 . 0 0 "[ . 1 . 2 ]" 1
438 1 47 MET HA 1 48 GLY H 3.934 . 5.114 3.496 3.458 3.598 . 0 0 "[ . 1 . 2 ]" 1
439 1 45 SER HA 1 49 LEU H 3.826 . 4.974 4.889 4.561 5.018 0.044 14 0 "[ . 1 . 2 ]" 1
440 1 47 MET HA 1 49 LEU H 4.136 . 5.377 4.801 4.463 5.324 . 0 0 "[ . 1 . 2 ]" 1
441 1 50 MET H 1 50 MET HA 2.851 . 3.706 2.851 2.764 2.897 . 0 0 "[ . 1 . 2 ]" 1
442 1 47 MET HA 1 50 MET H 3.057 . 3.974 3.989 3.709 4.129 0.155 12 0 "[ . 1 . 2 ]" 1
443 1 48 GLY H 1 50 MET H 3.216 . 4.181 4.186 3.785 4.249 0.068 5 0 "[ . 1 . 2 ]" 1
444 1 50 MET H 1 52 LEU H 5.164 . 6.713 4.994 4.698 5.311 . 0 0 "[ . 1 . 2 ]" 1
445 1 50 MET HB3 1 51 SER H 4.532 . 5.892 2.762 2.420 3.738 . 0 0 "[ . 1 . 2 ]" 1
446 1 51 SER HB3 1 52 LEU H 3.524 . 4.581 3.211 3.009 3.399 . 0 0 "[ . 1 . 2 ]" 1
447 1 51 SER HB2 1 52 LEU H 3.306 . 4.298 2.058 1.921 2.180 . 0 0 "[ . 1 . 2 ]" 1
448 1 50 MET H 1 53 ALA H 5.454 . 7.090 5.301 5.047 5.671 . 0 0 "[ . 1 . 2 ]" 1
449 1 52 LEU HA 1 53 ALA H 2.862 . 3.721 3.547 3.466 3.589 . 0 0 "[ . 1 . 2 ]" 1
450 1 55 SER H 1 56 THR H 5.612 . 7.296 3.750 2.851 3.979 . 0 0 "[ . 1 . 2 ]" 1
451 1 3 GLN H 1 65 GLN QB 3.599 . 4.679 3.537 2.899 4.484 . 0 0 "[ . 1 . 2 ]" 1
452 1 4 LYS H 1 5 VAL HA 4.117 . 5.352 4.684 4.399 4.874 . 0 0 "[ . 1 . 2 ]" 1
453 1 7 VAL H 1 8 ARG HA 4.634 . 6.024 4.546 4.315 4.814 . 0 0 "[ . 1 . 2 ]" 1
454 1 7 VAL H 1 59 GLU HB3 5.264 . 6.843 4.508 3.791 5.583 . 0 0 "[ . 1 . 2 ]" 1
455 1 7 VAL H 1 61 THR MG 3.879 . 6.043 4.673 4.036 4.900 . 0 0 "[ . 1 . 2 ]" 1
456 1 9 LEU H 1 59 GLU HA 3.129 . 4.068 3.348 2.946 3.908 . 0 0 "[ . 1 . 2 ]" 1
457 1 10 LYS H 1 80 VAL HA 4.156 . 5.403 4.615 4.224 5.262 . 0 0 "[ . 1 . 2 ]" 1
458 1 10 LYS H 1 80 VAL HB 5.334 . 6.934 4.060 3.595 4.745 . 0 0 "[ . 1 . 2 ]" 1
459 1 9 LEU QB 1 10 LYS H 4.384 . 6.699 3.991 3.766 4.115 . 0 0 "[ . 1 . 2 ]" 1
460 1 10 LYS H 1 11 THR MG 4.551 . 6.916 4.652 3.810 5.842 . 0 0 "[ . 1 . 2 ]" 1
461 1 10 LYS H 1 80 VAL QG 3.450 . 6.885 3.698 2.631 4.125 . 0 0 "[ . 1 . 2 ]" 1
462 1 10 LYS HB2 1 11 THR H 4.493 . 5.841 4.123 3.898 4.399 . 0 0 "[ . 1 . 2 ]" 1
463 1 12 GLY H 1 12 GLY HA3 2.837 . 3.688 2.842 2.549 2.981 . 0 0 "[ . 1 . 2 ]" 1
464 1 13 LEU HA 1 14 GLN H 2.615 . 3.400 2.466 2.124 2.791 . 0 0 "[ . 1 . 2 ]" 1
465 1 14 GLN H 1 14 GLN HA 2.705 . 3.517 2.945 2.798 2.987 . 0 0 "[ . 1 . 2 ]" 1
466 1 13 LEU HB3 1 14 GLN H 3.339 . 4.341 4.304 4.074 4.437 0.096 2 0 "[ . 1 . 2 ]" 1
467 1 27 ARG QD 1 28 PHE H 4.573 . 6.945 4.785 3.376 6.148 . 0 0 "[ . 1 . 2 ]" 1
468 1 26 ASN QB 1 28 PHE H 4.781 . 7.215 4.385 4.105 4.614 . 0 0 "[ . 1 . 2 ]" 1
469 1 29 THR H 1 30 SER HG 3.847 . 5.001 4.063 3.127 4.651 . 0 0 "[ . 1 . 2 ]" 1
470 1 29 THR H 1 67 GLU QG 4.589 . 6.966 4.781 2.045 6.297 . 0 0 "[ . 1 . 2 ]" 1
471 1 29 THR H 1 67 GLU QB 4.105 . 6.337 3.828 2.831 4.919 . 0 0 "[ . 1 . 2 ]" 1
472 1 29 THR H 1 72 ALA MB 3.941 . 6.123 4.374 3.573 5.008 . 0 0 "[ . 1 . 2 ]" 1
473 1 30 SER H 1 30 SER HG 2.800 . 3.640 3.151 2.455 3.691 0.051 16 0 "[ . 1 . 2 ]" 1
474 1 30 SER H 1 66 GLY HA3 3.684 . 4.789 3.132 2.486 3.548 . 0 0 "[ . 1 . 2 ]" 1
475 1 30 SER HA 1 31 ASP H 2.464 . 3.203 2.176 2.014 2.269 . 0 0 "[ . 1 . 2 ]" 1
476 1 31 ASP H 1 66 GLY HA2 3.064 . 3.983 3.233 2.777 3.623 . 0 0 "[ . 1 . 2 ]" 1
477 1 30 SER HB3 1 31 ASP H 3.030 . 3.939 3.041 2.859 3.226 . 0 0 "[ . 1 . 2 ]" 1
478 1 30 SER HB2 1 31 ASP H 3.149 . 4.094 3.911 3.778 4.062 . 0 0 "[ . 1 . 2 ]" 1
479 1 31 ASP H 1 31 ASP QB 3.073 . 3.740 2.228 1.983 2.370 . 0 0 "[ . 1 . 2 ]" 1
480 1 30 SER HA 1 32 VAL H 4.144 . 5.387 4.915 4.574 5.453 0.066 23 0 "[ . 1 . 2 ]" 1
481 1 33 PHE H 1 63 ILE HA 3.694 . 4.802 4.170 4.012 4.340 . 0 0 "[ . 1 . 2 ]" 1
482 1 33 PHE H 1 42 ASN HA 4.019 . 5.225 4.706 4.492 4.908 . 0 0 "[ . 1 . 2 ]" 1
483 1 33 PHE H 1 62 LEU QD 3.250 . 6.625 3.444 2.813 4.805 . 0 0 "[ . 1 . 2 ]" 1
484 1 32 VAL QG 1 33 PHE H 2.733 . 4.505 2.535 2.045 3.273 . 0 0 "[ . 1 . 2 ]" 1
485 1 34 LEU H 1 43 ALA H 3.503 . 4.554 3.333 3.114 3.614 . 0 0 "[ . 1 . 2 ]" 1
486 1 34 LEU H 1 42 ASN HA 3.681 . 4.785 4.211 4.062 4.382 . 0 0 "[ . 1 . 2 ]" 1
487 1 34 LEU H 1 40 LYS HB2 3.787 . 4.923 4.272 3.290 4.938 0.015 14 0 "[ . 1 . 2 ]" 1
488 1 34 LEU H 1 34 LEU HB2 2.659 . 3.457 3.261 2.745 3.678 0.221 13 0 "[ . 1 . 2 ]" 1
489 1 34 LEU H 1 40 LYS HG3 3.477 . 4.520 4.263 2.863 4.969 0.449 21 0 "[ . 1 . 2 ]" 1
490 1 34 LEU H 1 34 LEU QD 2.650 . 5.845 3.825 2.074 4.004 . 0 0 "[ . 1 . 2 ]" 1
491 1 35 GLU H 1 61 THR HA 3.723 . 4.840 4.115 3.827 4.510 . 0 0 "[ . 1 . 2 ]" 1
492 1 35 GLU H 1 61 THR HB 3.408 . 4.430 3.128 2.573 3.608 . 0 0 "[ . 1 . 2 ]" 1
493 1 35 GLU H 1 35 GLU HG3 3.394 . 4.412 2.125 1.854 2.523 . 0 0 "[ . 1 . 2 ]" 1
494 1 34 LEU HB2 1 35 GLU H 3.298 . 4.287 4.318 3.214 4.537 0.250 11 0 "[ . 1 . 2 ]" 1
495 1 34 LEU HG 1 35 GLU H 3.257 . 4.234 3.105 2.626 4.338 0.104 7 0 "[ . 1 . 2 ]" 1
496 1 34 LEU QD 1 35 GLU H 3.011 . 6.314 2.677 2.201 4.193 . 0 0 "[ . 1 . 2 ]" 1
497 1 35 GLU H 1 60 VAL MG2 2.932 . 4.812 4.155 3.889 5.798 0.986 9 2 "[ . +1 . 2 - ]" 1
498 1 36 LYS H 1 40 LYS H 3.477 . 4.520 4.275 3.945 4.534 0.014 20 0 "[ . 1 . 2 ]" 1
499 1 36 LYS H 1 36 LYS HB3 2.519 . 3.275 3.402 2.405 3.604 0.329 17 0 "[ . 1 . 2 ]" 1
500 1 35 GLU HB2 1 36 LYS H 3.805 . 4.947 4.261 3.847 4.431 . 0 0 "[ . 1 . 2 ]" 1
501 1 36 LYS H 1 36 LYS HG2 3.154 . 4.100 3.457 2.380 4.231 0.131 7 0 "[ . 1 . 2 ]" 1
502 1 36 LYS HB3 1 37 ASP H 4.419 . 5.745 4.076 3.886 4.510 . 0 0 "[ . 1 . 2 ]" 1
503 1 36 LYS HB2 1 37 ASP H 4.281 . 5.565 4.547 4.365 4.636 . 0 0 "[ . 1 . 2 ]" 1
504 1 36 LYS HA 1 38 GLY H 3.717 . 4.832 3.865 3.664 4.098 . 0 0 "[ . 1 . 2 ]" 1
505 1 37 ASP HA 1 38 GLY H 2.889 . 3.756 2.958 2.894 3.059 . 0 0 "[ . 1 . 2 ]" 1
506 1 38 GLY H 1 38 GLY HA2 2.603 . 3.384 2.525 2.472 2.560 . 0 0 "[ . 1 . 2 ]" 1
507 1 38 GLY H 1 38 GLY HA3 2.547 . 3.311 2.975 2.967 2.982 . 0 0 "[ . 1 . 2 ]" 1
508 1 37 ASP HA 1 39 LYS H 3.770 . 4.901 4.578 4.450 4.689 . 0 0 "[ . 1 . 2 ]" 1
509 1 37 ASP HB2 1 39 LYS H 3.945 . 5.128 3.873 3.520 3.987 . 0 0 "[ . 1 . 2 ]" 1
510 1 38 GLY H 1 40 LYS H 4.730 . 6.149 4.877 4.597 5.300 . 0 0 "[ . 1 . 2 ]" 1
511 1 35 GLU HA 1 40 LYS H 3.612 . 4.696 3.084 2.612 3.345 . 0 0 "[ . 1 . 2 ]" 1
512 1 40 LYS H 1 40 LYS HB3 2.693 . 3.501 2.195 2.015 2.425 . 0 0 "[ . 1 . 2 ]" 1
513 1 35 GLU HA 1 41 VAL H 3.335 . 4.335 3.469 3.329 3.617 . 0 0 "[ . 1 . 2 ]" 1
514 1 33 PHE HB2 1 41 VAL H 3.820 . 4.966 4.705 4.092 5.257 0.291 7 0 "[ . 1 . 2 ]" 1
515 1 33 PHE HB3 1 41 VAL H 4.900 . 6.370 3.045 2.447 3.570 . 0 0 "[ . 1 . 2 ]" 1
516 1 35 GLU HG3 1 41 VAL H 3.520 . 4.576 4.588 3.926 4.728 0.152 22 0 "[ . 1 . 2 ]" 1
517 1 40 LYS HB2 1 41 VAL H 3.310 . 4.303 3.533 2.858 4.159 . 0 0 "[ . 1 . 2 ]" 1
518 1 40 LYS HB3 1 41 VAL H 3.172 . 4.124 4.105 3.946 4.213 0.089 16 0 "[ . 1 . 2 ]" 1
519 1 41 VAL H 1 41 VAL MG2 2.759 . 4.587 2.718 2.033 3.910 . 0 0 "[ . 1 . 2 ]" 1
520 1 42 ASN H 1 42 ASN QD 3.573 . 4.645 4.217 2.753 4.536 . 0 0 "[ . 1 . 2 ]" 1
521 1 33 PHE HB3 1 43 ALA H 4.178 . 5.431 3.862 3.517 4.075 . 0 0 "[ . 1 . 2 ]" 1
522 1 33 PHE HA 1 44 LYS H 4.150 . 5.395 4.251 3.833 5.081 . 0 0 "[ . 1 . 2 ]" 1
523 1 43 ALA MB 1 44 LYS H 2.900 . 4.770 2.500 2.261 3.656 . 0 0 "[ . 1 . 2 ]" 1
524 1 42 ASN HB2 1 45 SER H 4.339 . 5.641 4.283 2.683 4.804 . 0 0 "[ . 1 . 2 ]" 1
525 1 22 VAL QG 1 46 ILE H 4.229 . 6.498 4.624 3.984 5.100 . 0 0 "[ . 1 . 2 ]" 1
526 1 47 MET H 1 50 MET H 4.605 . 5.987 4.815 4.600 4.920 . 0 0 "[ . 1 . 2 ]" 1
527 1 46 ILE HB 1 47 MET H 2.903 . 3.774 3.809 3.713 3.909 0.135 4 0 "[ . 1 . 2 ]" 1
528 1 46 ILE HG12 1 47 MET H 3.735 . 4.856 4.146 3.650 4.648 . 0 0 "[ . 1 . 2 ]" 1
529 1 22 VAL QG 1 49 LEU H 4.444 . 6.777 3.124 2.654 3.842 . 0 0 "[ . 1 . 2 ]" 1
530 1 46 ILE MD 1 49 LEU H 4.605 . 6.987 5.134 4.800 5.810 . 0 0 "[ . 1 . 2 ]" 1
531 1 49 LEU H 1 49 LEU QD 3.028 . 4.865 3.519 3.106 3.672 . 0 0 "[ . 1 . 2 ]" 1
532 1 13 LEU QD 1 49 LEU H 4.049 . 7.664 3.977 3.180 5.300 . 0 0 "[ . 1 . 2 ]" 1
533 1 49 LEU HB2 1 50 MET H 3.068 . 3.988 3.117 2.414 3.815 . 0 0 "[ . 1 . 2 ]" 1
534 1 49 LEU QD 1 50 MET H 3.261 . 5.239 3.200 2.474 3.820 . 0 0 "[ . 1 . 2 ]" 1
535 1 52 LEU H 1 52 LEU MD2 2.644 . 4.437 2.625 1.821 3.790 . 0 0 "[ . 1 . 2 ]" 1
536 1 52 LEU H 1 52 LEU MD1 2.634 . 4.424 2.849 1.842 3.624 . 0 0 "[ . 1 . 2 ]" 1
537 1 52 LEU MD1 1 53 ALA H 3.005 . 4.906 4.174 3.642 4.509 . 0 0 "[ . 1 . 2 ]" 1
538 1 10 LYS HA 1 57 GLY H 3.348 . 4.352 3.485 2.528 4.168 . 0 0 "[ . 1 . 2 ]" 1
539 1 57 GLY H 1 57 GLY HA3 2.701 . 3.511 2.964 2.915 3.000 . 0 0 "[ . 1 . 2 ]" 1
540 1 57 GLY H 1 58 THR HB 4.225 . 5.492 5.020 4.746 5.307 . 0 0 "[ . 1 . 2 ]" 1
541 1 56 THR HA 1 57 GLY H 2.575 . 3.348 2.133 2.073 2.190 . 0 0 "[ . 1 . 2 ]" 1
542 1 57 GLY H 1 57 GLY HA2 2.306 . 2.998 2.396 2.341 2.483 . 0 0 "[ . 1 . 2 ]" 1
543 1 12 GLY HA3 1 57 GLY H 4.331 . 5.630 4.615 4.145 5.198 . 0 0 "[ . 1 . 2 ]" 1
544 1 8 ARG HA 1 58 THR H 4.241 . 5.513 4.453 4.056 4.820 . 0 0 "[ . 1 . 2 ]" 1
545 1 58 THR H 1 58 THR HA 2.841 . 3.693 2.944 2.922 2.978 . 0 0 "[ . 1 . 2 ]" 1
546 1 57 GLY HA3 1 58 THR H 2.889 . 3.756 3.355 3.220 3.515 . 0 0 "[ . 1 . 2 ]" 1
547 1 8 ARG QG 1 58 THR H 3.889 . 4.596 3.424 3.170 3.630 . 0 0 "[ . 1 . 2 ]" 1
548 1 59 GLU H 1 59 GLU HG3 2.748 . 3.572 3.234 2.097 3.657 0.085 10 0 "[ . 1 . 2 ]" 1
549 1 59 GLU H 1 59 GLU HB2 2.606 . 3.388 2.893 2.571 3.794 0.406 23 0 "[ . 1 . 2 ]" 1
550 1 59 GLU H 1 59 GLU HG2 2.561 . 3.329 2.281 1.807 3.530 0.201 14 0 "[ . 1 . 2 ]" 1
551 1 59 GLU H 1 60 VAL MG1 3.137 . 5.078 3.847 3.530 4.606 . 0 0 "[ . 1 . 2 ]" 1
552 1 61 THR HA 1 62 LEU H 2.576 . 3.349 2.186 2.095 2.266 . 0 0 "[ . 1 . 2 ]" 1
553 1 4 LYS HB2 1 62 LEU H 4.269 . 5.550 3.668 3.075 3.985 . 0 0 "[ . 1 . 2 ]" 1
554 1 4 LYS HB3 1 62 LEU H 4.016 . 5.221 4.999 4.452 5.503 0.282 8 0 "[ . 1 . 2 ]" 1
555 1 62 LEU H 1 62 LEU HG 3.450 . 4.485 4.186 2.860 4.565 0.080 15 0 "[ . 1 . 2 ]" 1
556 1 35 GLU H 1 63 ILE H 4.554 . 5.920 4.525 4.238 4.802 . 0 0 "[ . 1 . 2 ]" 1
557 1 33 PHE HB2 1 63 ILE H 4.241 . 5.513 3.189 2.788 3.746 . 0 0 "[ . 1 . 2 ]" 1
558 1 63 ILE H 1 64 ALA MB 3.987 . 6.183 5.027 4.799 5.096 . 0 0 "[ . 1 . 2 ]" 1
559 1 62 LEU QD 1 63 ILE H 2.834 . 6.084 2.582 1.998 4.081 . 0 0 "[ . 1 . 2 ]" 1
560 1 34 LEU QD 1 63 ILE H 3.135 . 6.475 3.945 3.303 4.889 . 0 0 "[ . 1 . 2 ]" 1
561 1 4 LYS HB3 1 64 ALA H 4.290 . 5.577 3.907 3.562 4.273 . 0 0 "[ . 1 . 2 ]" 1
562 1 63 ILE MG 1 64 ALA H 2.645 . 4.439 2.048 1.832 2.265 . 0 0 "[ . 1 . 2 ]" 1
563 1 30 SER HB3 1 66 GLY H 4.487 . 5.833 2.227 1.854 2.529 . 0 0 "[ . 1 . 2 ]" 1
564 1 64 ALA MB 1 66 GLY H 3.744 . 5.867 3.497 3.224 3.787 . 0 0 "[ . 1 . 2 ]" 1
565 1 32 VAL QG 1 66 GLY H 3.662 . 5.761 4.678 4.619 4.785 . 0 0 "[ . 1 . 2 ]" 1
566 1 31 ASP H 1 67 GLU H 4.205 . 5.466 5.105 4.782 5.458 . 0 0 "[ . 1 . 2 ]" 1
567 1 66 GLY HA3 1 67 GLU H 2.707 . 3.519 2.306 2.202 2.387 . 0 0 "[ . 1 . 2 ]" 1
568 1 30 SER HA 1 67 GLU H 3.664 . 4.763 3.141 2.814 3.429 . 0 0 "[ . 1 . 2 ]" 1
569 1 66 GLY HA2 1 67 GLU H 2.762 . 3.591 2.723 2.513 3.089 . 0 0 "[ . 1 . 2 ]" 1
570 1 29 THR MG 1 67 GLU H 3.654 . 5.750 3.156 2.511 4.549 . 0 0 "[ . 1 . 2 ]" 1
571 1 30 SER HA 1 68 ASP H 4.490 . 5.837 4.071 3.826 4.355 . 0 0 "[ . 1 . 2 ]" 1
572 1 66 GLY HA2 1 68 ASP H 3.691 . 4.798 4.519 4.268 4.846 0.048 14 0 "[ . 1 . 2 ]" 1
573 1 67 GLU QG 1 68 ASP H 2.942 . 4.825 3.935 1.860 4.373 . 0 0 "[ . 1 . 2 ]" 1
574 1 67 GLU QB 1 68 ASP H 2.612 . 4.396 2.872 2.449 3.468 . 0 0 "[ . 1 . 2 ]" 1
575 1 29 THR MG 1 68 ASP H 3.439 . 5.471 4.217 3.354 4.596 . 0 0 "[ . 1 . 2 ]" 1
576 1 68 ASP H 1 72 ALA MB 3.579 . 5.653 3.841 3.494 4.183 . 0 0 "[ . 1 . 2 ]" 1
577 1 30 SER HB3 1 69 GLU H 4.283 . 5.568 4.376 3.635 4.923 . 0 0 "[ . 1 . 2 ]" 1
578 1 68 ASP HB3 1 69 GLU H 4.218 . 5.483 4.588 4.498 4.754 . 0 0 "[ . 1 . 2 ]" 1
579 1 64 ALA MB 1 69 GLU H 3.366 . 5.376 4.144 3.784 4.359 . 0 0 "[ . 1 . 2 ]" 1
580 1 69 GLU H 1 73 LEU QD 3.477 . 6.920 4.627 4.507 4.966 . 0 0 "[ . 1 . 2 ]" 1
581 1 69 GLU H 1 72 ALA MB 3.913 . 6.087 4.207 3.758 4.522 . 0 0 "[ . 1 . 2 ]" 1
582 1 14 GLN QB 1 14 GLN HE22 4.651 . 7.046 3.975 3.425 4.526 . 0 0 "[ . 1 . 2 ]" 1
583 1 14 GLN HE22 1 56 THR MG 4.002 . 6.203 3.702 2.427 5.750 . 0 0 "[ . 1 . 2 ]" 1
584 1 14 GLN HA 1 14 GLN HE22 6.000 . 7.800 5.550 3.389 6.160 . 0 0 "[ . 1 . 2 ]" 1
585 1 23 GLN HA 1 23 GLN HE21 3.947 . 5.131 4.470 3.354 5.204 0.073 8 0 "[ . 1 . 2 ]" 1
586 1 23 GLN HE21 1 75 LYS QE 4.540 . 6.902 6.154 5.446 7.060 0.158 14 0 "[ . 1 . 2 ]" 1
587 1 23 GLN HE21 1 23 GLN HG3 2.785 . 3.621 2.984 2.082 3.640 0.019 4 0 "[ . 1 . 2 ]" 1
588 1 23 GLN HE22 1 23 GLN HG3 3.619 . 4.705 3.837 3.424 4.161 . 0 0 "[ . 1 . 2 ]" 1
589 1 23 GLN HE22 1 23 GLN HG2 3.275 . 4.258 3.891 3.496 4.118 . 0 0 "[ . 1 . 2 ]" 1
590 1 23 GLN QB 1 23 GLN HE22 3.625 . 5.713 3.541 3.100 4.261 . 0 0 "[ . 1 . 2 ]" 1
591 1 20 LEU MD2 1 23 GLN HE22 3.444 . 5.477 2.876 1.775 4.434 . 0 0 "[ . 1 . 2 ]" 1
592 1 65 GLN HA 1 65 GLN HE21 5.787 . 7.523 4.832 3.998 6.123 . 0 0 "[ . 1 . 2 ]" 1
593 1 65 GLN QB 1 65 GLN HE21 3.607 . 4.689 2.575 1.637 3.958 . 0 0 "[ . 1 . 2 ]" 1
594 1 70 GLN QE 1 70 GLN QG 2.646 . 4.275 2.493 2.112 2.892 . 0 0 "[ . 1 . 2 ]" 1
595 1 3 GLN QB 1 70 GLN QE 3.178 . 5.040 3.561 2.903 3.944 . 0 0 "[ . 1 . 2 ]" 1
596 1 70 GLN QB 1 70 GLN QE 3.009 . 4.912 2.696 1.776 3.533 . 0 0 "[ . 1 . 2 ]" 1
597 1 5 VAL MG2 1 70 GLN QE 4.044 . 6.171 3.699 2.417 4.626 . 0 0 "[ . 1 . 2 ]" 1
598 1 70 GLN QE 1 73 LEU HB2 4.547 . 5.911 4.724 4.206 5.088 . 0 0 "[ . 1 . 2 ]" 1
599 1 70 GLN QE 1 73 LEU QD 3.015 . 6.273 1.707 1.442 2.074 . 0 0 "[ . 1 . 2 ]" 1
600 1 70 GLN QE 1 71 GLU HA 3.287 . 4.273 4.155 3.351 4.293 0.020 3 0 "[ . 1 . 2 ]" 1
601 1 78 ALA HA 1 81 GLN HE22 4.656 . 6.053 3.871 2.791 4.654 . 0 0 "[ . 1 . 2 ]" 1
602 1 81 GLN QB 1 81 GLN HE22 4.116 . 4.649 3.906 3.710 4.089 . 0 0 "[ . 1 . 2 ]" 1
603 1 7 VAL HB 1 81 GLN HE22 4.490 . 5.837 3.267 2.053 4.304 . 0 0 "[ . 1 . 2 ]" 1
604 1 78 ALA MB 1 81 GLN HE22 4.597 . 6.976 5.158 4.099 5.849 . 0 0 "[ . 1 . 2 ]" 1
605 1 77 ALA MB 1 81 GLN HE22 3.573 . 5.645 3.857 3.141 4.552 . 0 0 "[ . 1 . 2 ]" 1
606 1 80 VAL QG 1 81 GLN HE22 4.447 . 8.181 4.597 3.908 5.383 . 0 0 "[ . 1 . 2 ]" 1
607 1 7 VAL QG 1 81 GLN HE22 3.253 . 5.229 2.370 1.765 3.191 . 0 0 "[ . 1 . 2 ]" 1
608 1 78 ALA HA 1 81 GLN HE21 4.432 . 5.762 2.582 1.790 3.282 . 0 0 "[ . 1 . 2 ]" 1
609 1 81 GLN QB 1 81 GLN HE21 3.088 . 4.014 3.376 3.116 3.773 . 0 0 "[ . 1 . 2 ]" 1
610 1 7 VAL HB 1 81 GLN HE21 3.505 . 4.556 2.759 1.678 3.584 . 0 0 "[ . 1 . 2 ]" 1
611 1 78 ALA MB 1 81 GLN HE21 3.887 . 6.053 4.184 3.541 4.729 . 0 0 "[ . 1 . 2 ]" 1
612 1 77 ALA MB 1 81 GLN HE21 3.279 . 5.263 3.362 2.755 4.249 . 0 0 "[ . 1 . 2 ]" 1
613 1 80 VAL QG 1 81 GLN HE21 3.882 . 7.447 3.526 2.990 4.499 . 0 0 "[ . 1 . 2 ]" 1
614 1 7 VAL QG 1 81 GLN HE21 3.380 . 5.388 2.127 1.662 2.960 . 0 0 "[ . 1 . 2 ]" 1
615 1 23 GLN HA 1 26 ASN HD22 4.581 . 5.955 4.350 3.560 4.949 . 0 0 "[ . 1 . 2 ]" 1
616 1 26 ASN QB 1 26 ASN HD22 3.394 . 5.412 3.345 3.296 3.464 . 0 0 "[ . 1 . 2 ]" 1
617 1 25 ALA MB 1 26 ASN HD22 4.605 . 6.987 4.792 4.312 5.310 . 0 0 "[ . 1 . 2 ]" 1
618 1 22 VAL QG 1 26 ASN HD22 3.279 . 5.263 2.580 2.150 3.786 . 0 0 "[ . 1 . 2 ]" 1
619 1 23 GLN HA 1 26 ASN HD21 4.995 . 6.494 3.004 2.227 3.598 . 0 0 "[ . 1 . 2 ]" 1
620 1 25 ALA MB 1 26 ASN HD21 5.095 . 7.623 3.661 2.913 4.216 . 0 0 "[ . 1 . 2 ]" 1
621 1 22 VAL QG 1 26 ASN HD21 3.239 . 5.211 2.130 1.845 2.966 . 0 0 "[ . 1 . 2 ]" 1
622 1 23 GLN QB 1 26 ASN HD21 4.651 . 7.046 4.549 3.910 5.206 . 0 0 "[ . 1 . 2 ]" 1
623 1 23 GLN QB 1 26 ASN HD22 4.068 . 6.288 5.639 4.703 6.308 0.020 24 0 "[ . 1 . 2 ]" 1
624 1 9 LEU H 1 59 GLU H 4.347 . 5.651 4.689 4.283 4.923 . 0 0 "[ . 1 . 2 ]" 1
625 1 9 LEU H 1 10 LYS H 3.413 . 4.437 3.977 3.667 4.276 . 0 0 "[ . 1 . 2 ]" 1
626 1 9 LEU H 1 58 THR HB 5.003 . 6.504 3.986 3.658 5.472 . 0 0 "[ . 1 . 2 ]" 1
627 1 9 LEU H 1 81 GLN HA 4.791 . 6.228 5.252 4.905 5.848 . 0 0 "[ . 1 . 2 ]" 1
628 1 10 LYS QE 1 11 THR H 4.577 . 5.950 2.431 1.817 3.200 . 0 0 "[ . 1 . 2 ]" 1
629 1 11 THR H 1 12 GLY H 4.830 . 6.279 2.590 2.258 2.895 . 0 0 "[ . 1 . 2 ]" 1
630 1 12 GLY H 1 56 THR MG 3.384 . 5.399 3.296 2.335 4.158 . 0 0 "[ . 1 . 2 ]" 1
631 1 13 LEU H 1 56 THR H 3.975 . 5.168 5.252 5.073 5.286 0.118 16 0 "[ . 1 . 2 ]" 1
632 1 14 GLN H 1 17 PRO HD2 4.536 . 5.897 4.284 3.601 4.876 . 0 0 "[ . 1 . 2 ]" 1
633 1 12 GLY HA3 1 14 GLN H 4.257 . 5.534 4.647 3.975 4.994 . 0 0 "[ . 1 . 2 ]" 1
634 1 14 GLN H 1 17 PRO HG3 3.786 . 4.922 4.420 3.034 5.041 0.119 6 0 "[ . 1 . 2 ]" 1
635 1 16 ARG H 1 49 LEU QD 4.507 . 6.859 5.292 4.689 5.620 . 0 0 "[ . 1 . 2 ]" 1
636 1 17 PRO QB 1 18 ALA H 3.634 . 5.724 3.091 2.232 3.455 . 0 0 "[ . 1 . 2 ]" 1
637 1 25 ALA H 1 26 ASN HA 4.209 . 5.472 5.357 5.232 5.446 . 0 0 "[ . 1 . 2 ]" 1
638 1 27 ARG H 1 76 LEU MD2 4.199 . 6.459 5.034 4.586 6.185 . 0 0 "[ . 1 . 2 ]" 1
639 1 29 THR H 1 32 VAL QG 4.422 . 6.749 4.897 3.792 5.549 . 0 0 "[ . 1 . 2 ]" 1
640 1 30 SER H 1 32 VAL QG 4.127 . 6.365 3.485 2.915 4.390 . 0 0 "[ . 1 . 2 ]" 1
641 1 33 PHE H 1 43 ALA H 4.507 . 5.859 3.558 3.408 3.691 . 0 0 "[ . 1 . 2 ]" 1
642 1 41 VAL HA 1 43 ALA H 4.000 . 5.200 5.302 5.243 5.393 0.193 23 0 "[ . 1 . 2 ]" 1
643 1 42 ASN QD 1 44 LYS H 4.199 . 5.459 3.796 2.829 5.219 . 0 0 "[ . 1 . 2 ]" 1
644 1 44 LYS H 1 44 LYS QE 4.160 . 6.408 3.996 3.469 4.702 . 0 0 "[ . 1 . 2 ]" 1
645 1 44 LYS H 1 44 LYS QG 2.691 . 4.000 1.928 1.705 2.911 . 0 0 "[ . 1 . 2 ]" 1
646 1 44 LYS HD3 1 45 SER H 3.971 . 5.162 5.167 4.785 5.364 0.202 10 0 "[ . 1 . 2 ]" 1
647 1 22 VAL QG 1 45 SER H 3.504 . 5.555 3.698 3.354 4.120 . 0 0 "[ . 1 . 2 ]" 1
648 1 46 ILE MD 1 48 GLY H 4.225 . 6.492 4.293 4.007 5.187 . 0 0 "[ . 1 . 2 ]" 1
649 1 49 LEU H 1 50 MET HB3 6.000 . 7.800 5.127 4.626 6.340 . 0 0 "[ . 1 . 2 ]" 1
650 1 49 LEU H 1 49 LEU HB2 2.698 . 3.507 2.203 1.878 2.930 . 0 0 "[ . 1 . 2 ]" 1
651 1 47 MET H 1 48 GLY H 2.739 . 3.561 2.703 2.557 2.899 . 0 0 "[ . 1 . 2 ]" 1
652 1 13 LEU QD 1 50 MET H 4.706 . 8.518 4.586 3.970 5.702 . 0 0 "[ . 1 . 2 ]" 1
653 1 49 LEU HB3 1 51 SER H 3.715 . 4.830 4.455 3.961 4.849 0.019 18 0 "[ . 1 . 2 ]" 1
654 1 13 LEU QD 1 53 ALA H 4.370 . 8.081 4.008 3.372 4.355 . 0 0 "[ . 1 . 2 ]" 1
655 1 9 LEU HG 1 54 VAL H 4.367 . 5.677 5.283 4.264 5.724 0.047 18 0 "[ . 1 . 2 ]" 1
656 1 13 LEU QD 1 54 VAL H 3.413 . 6.837 3.861 3.321 4.229 . 0 0 "[ . 1 . 2 ]" 1
657 1 12 GLY HA2 1 55 SER H 5.343 . 6.946 3.815 2.424 4.427 . 0 0 "[ . 1 . 2 ]" 1
658 1 54 VAL HB 1 55 SER H 4.613 . 5.997 4.197 3.527 4.455 . 0 0 "[ . 1 . 2 ]" 1
659 1 52 LEU HB2 1 55 SER H 5.727 . 7.445 5.760 5.524 6.838 . 0 0 "[ . 1 . 2 ]" 1
660 1 13 LEU QD 1 55 SER H 4.390 . 8.107 4.615 4.112 5.238 . 0 0 "[ . 1 . 2 ]" 1
661 1 54 VAL QG 1 56 THR H 3.444 . 6.877 3.661 3.506 4.173 . 0 0 "[ . 1 . 2 ]" 1
662 1 55 SER HA 1 57 GLY H 5.040 . 6.552 5.877 5.699 6.088 . 0 0 "[ . 1 . 2 ]" 1
663 1 58 THR H 1 59 GLU HA 4.701 . 6.111 5.184 4.915 5.331 . 0 0 "[ . 1 . 2 ]" 1
664 1 9 LEU QB 1 58 THR H 3.111 . 5.044 2.198 1.816 2.980 . 0 0 "[ . 1 . 2 ]" 1
665 1 8 ARG QB 1 58 THR H 3.778 . 5.911 5.352 5.305 5.407 . 0 0 "[ . 1 . 2 ]" 1
666 1 36 LYS QE 1 59 GLU H 4.514 . 6.868 5.387 5.068 6.097 . 0 0 "[ . 1 . 2 ]" 1
667 1 21 PHE H 1 24 GLU H 4.674 . 6.076 4.695 4.458 4.827 . 0 0 "[ . 1 . 2 ]" 1
668 1 21 PHE H 1 21 PHE QD 3.439 . 5.471 3.786 1.893 4.159 . 0 0 "[ . 1 . 2 ]" 1
669 1 20 LEU HB2 1 21 PHE H 3.023 . 3.930 3.586 3.379 3.907 . 0 0 "[ . 1 . 2 ]" 1
670 1 21 PHE QD 1 23 GLN H 3.966 . 6.156 4.914 4.282 5.689 . 0 0 "[ . 1 . 2 ]" 1
671 1 23 GLN H 1 23 GLN HE21 5.165 . 6.715 4.139 3.106 5.588 . 0 0 "[ . 1 . 2 ]" 1
672 1 21 PHE HA 1 23 GLN H 4.605 . 5.987 4.524 4.325 4.738 . 0 0 "[ . 1 . 2 ]" 1
673 1 21 PHE HB3 1 23 GLN H 4.988 . 6.484 4.717 4.335 5.541 . 0 0 "[ . 1 . 2 ]" 1
674 1 21 PHE QD 1 24 GLU H 4.041 . 6.253 5.203 4.276 5.867 . 0 0 "[ . 1 . 2 ]" 1
675 1 22 VAL HA 1 24 GLU H 4.358 . 5.665 4.541 4.201 4.838 . 0 0 "[ . 1 . 2 ]" 1
676 1 21 PHE HB3 1 24 GLU H 4.387 . 5.703 5.479 5.051 5.674 . 0 0 "[ . 1 . 2 ]" 1
677 1 24 GLU H 1 26 ASN QB 5.230 . 7.799 4.088 3.684 4.427 . 0 0 "[ . 1 . 2 ]" 1
678 1 24 GLU H 1 76 LEU MD1 4.988 . 7.484 3.560 2.770 4.198 . 0 0 "[ . 1 . 2 ]" 1
679 1 64 ALA MB 1 68 ASP H 3.489 . 5.536 4.412 4.208 4.480 . 0 0 "[ . 1 . 2 ]" 1
680 1 68 ASP H 1 72 ALA H 3.733 . 4.853 4.974 4.893 5.076 0.223 19 0 "[ . 1 . 2 ]" 1
681 1 3 GLN H 1 63 ILE HA 3.403 . 4.424 4.034 3.705 4.298 . 0 0 "[ . 1 . 2 ]" 1
682 1 3 GLN H 1 70 GLN HA 3.943 . 5.126 5.060 4.669 5.176 0.050 2 0 "[ . 1 . 2 ]" 1
683 1 3 GLN H 1 69 GLU HA 5.491 . 7.138 4.401 3.891 4.835 . 0 0 "[ . 1 . 2 ]" 1
684 1 3 GLN H 1 3 GLN QB 2.999 . 4.899 2.676 2.469 2.840 . 0 0 "[ . 1 . 2 ]" 1
685 1 4 LYS H 1 70 GLN HA 5.205 . 6.767 5.798 5.261 6.324 . 0 0 "[ . 1 . 2 ]" 1
686 1 2 GLN HG2 1 4 LYS H 5.718 . 7.433 5.196 4.569 7.357 . 0 0 "[ . 1 . 2 ]" 1
687 1 8 ARG H 1 60 VAL H 4.209 . 5.472 4.923 4.693 5.102 . 0 0 "[ . 1 . 2 ]" 1
688 1 8 ARG H 1 81 GLN HE21 4.775 . 6.208 4.946 4.366 5.606 . 0 0 "[ . 1 . 2 ]" 1
689 1 8 ARG H 1 81 GLN HE22 4.656 . 6.053 4.667 3.892 5.826 . 0 0 "[ . 1 . 2 ]" 1
690 1 8 ARG H 1 59 GLU HA 3.466 . 4.506 4.085 3.877 4.330 . 0 0 "[ . 1 . 2 ]" 1
691 1 8 ARG H 1 81 GLN HA 4.114 . 5.348 4.167 3.668 4.725 . 0 0 "[ . 1 . 2 ]" 1
692 1 8 ARG H 1 59 GLU HB3 3.811 . 4.954 5.045 4.910 5.413 0.459 23 0 "[ . 1 . 2 ]" 1
693 1 8 ARG H 1 80 VAL QG 4.311 . 8.004 4.293 3.463 4.704 . 0 0 "[ . 1 . 2 ]" 1
694 1 10 LYS H 1 10 LYS QD 3.169 . 5.120 4.119 3.882 4.460 . 0 0 "[ . 1 . 2 ]" 1
695 1 17 PRO HD2 1 19 ALA H 5.993 . 7.791 4.327 3.428 5.044 . 0 0 "[ . 1 . 2 ]" 1
696 1 22 VAL H 1 22 VAL HB 2.659 . 3.457 2.695 2.164 3.561 0.104 12 0 "[ . 1 . 2 ]" 1
697 1 20 LEU H 1 20 LEU HB3 2.224 . 2.891 2.728 2.522 2.855 . 0 0 "[ . 1 . 2 ]" 1
698 1 23 GLN HE21 1 24 GLU H 4.889 . 6.356 2.924 2.027 4.284 . 0 0 "[ . 1 . 2 ]" 1
699 1 21 PHE HB2 1 25 ALA H 5.484 . 7.129 5.971 5.556 6.330 . 0 0 "[ . 1 . 2 ]" 1
700 1 26 ASN H 1 26 ASN HD22 3.629 . 4.718 4.418 4.007 4.648 . 0 0 "[ . 1 . 2 ]" 1
701 1 26 ASN H 1 76 LEU MD1 3.751 . 5.876 4.539 4.192 4.798 . 0 0 "[ . 1 . 2 ]" 1
702 1 26 ASN H 1 76 LEU MD2 4.232 . 6.502 4.553 4.234 4.792 . 0 0 "[ . 1 . 2 ]" 1
703 1 30 SER HB3 1 32 VAL H 4.954 . 6.440 4.537 4.084 5.266 . 0 0 "[ . 1 . 2 ]" 1
704 1 33 PHE H 1 33 PHE QE 4.003 . 6.204 5.284 4.877 5.540 . 0 0 "[ . 1 . 2 ]" 1
705 1 33 PHE QE 1 34 LEU H 4.974 . 7.466 5.856 5.529 6.205 . 0 0 "[ . 1 . 2 ]" 1
706 1 36 LYS H 1 39 LYS HA 4.390 . 5.707 4.181 4.084 4.333 . 0 0 "[ . 1 . 2 ]" 1
707 1 35 GLU HA 1 38 GLY H 4.454 . 5.790 3.880 3.702 4.086 . 0 0 "[ . 1 . 2 ]" 1
708 1 39 LYS H 1 40 LYS HA 3.903 . 5.074 4.962 4.809 5.038 . 0 0 "[ . 1 . 2 ]" 1
709 1 36 LYS HA 1 39 LYS H 4.069 . 5.290 4.105 3.979 4.386 . 0 0 "[ . 1 . 2 ]" 1
710 1 39 LYS QE 1 40 LYS H 3.963 . 6.152 4.923 3.783 5.562 . 0 0 "[ . 1 . 2 ]" 1
711 1 33 PHE QE 1 43 ALA H 4.410 . 6.733 4.865 4.413 5.347 . 0 0 "[ . 1 . 2 ]" 1
712 1 33 PHE QD 1 43 ALA H 3.480 . 5.524 3.119 2.527 3.950 . 0 0 "[ . 1 . 2 ]" 1
713 1 33 PHE HA 1 45 SER H 4.428 . 5.756 5.509 5.200 5.837 0.081 22 0 "[ . 1 . 2 ]" 1
714 1 36 LYS QE 1 58 THR H 4.558 . 6.925 4.561 4.228 5.409 . 0 0 "[ . 1 . 2 ]" 1
715 1 58 THR H 1 60 VAL MG2 3.564 . 5.633 4.392 3.209 4.587 . 0 0 "[ . 1 . 2 ]" 1
716 1 8 ARG HA 1 59 GLU H 6.000 . 7.800 4.044 3.791 4.531 . 0 0 "[ . 1 . 2 ]" 1
717 1 59 GLU H 1 60 VAL MG2 4.066 . 6.286 4.888 3.981 5.120 . 0 0 "[ . 1 . 2 ]" 1
718 1 58 THR HA 1 60 VAL H 4.562 . 5.931 5.212 4.872 5.659 . 0 0 "[ . 1 . 2 ]" 1
719 1 35 GLU HA 1 61 THR H 4.745 . 6.169 4.210 4.012 4.638 . 0 0 "[ . 1 . 2 ]" 1
720 1 60 VAL HB 1 61 THR H 2.501 . 3.251 3.204 2.852 3.341 0.090 23 0 "[ . 1 . 2 ]" 1
721 1 61 THR H 1 61 THR MG 3.236 . 5.207 3.720 3.343 3.914 . 0 0 "[ . 1 . 2 ]" 1
722 1 4 LYS HA 1 62 LEU H 4.331 . 5.630 4.532 4.230 4.684 . 0 0 "[ . 1 . 2 ]" 1
723 1 61 THR HB 1 62 LEU H 4.428 . 5.756 4.174 3.855 4.358 . 0 0 "[ . 1 . 2 ]" 1
724 1 62 LEU H 1 62 LEU QD 3.078 . 6.401 3.392 2.133 3.877 . 0 0 "[ . 1 . 2 ]" 1
725 1 4 LYS HB2 1 63 ILE H 5.305 . 6.896 3.914 3.523 4.249 . 0 0 "[ . 1 . 2 ]" 1
726 1 33 PHE H 1 64 ALA H 5.366 . 6.976 4.338 4.120 4.579 . 0 0 "[ . 1 . 2 ]" 1
727 1 33 PHE QE 1 64 ALA H 5.403 . 8.024 6.156 5.542 6.992 . 0 0 "[ . 1 . 2 ]" 1
728 1 64 ALA H 1 65 GLN HA 5.696 . 7.405 4.245 3.879 4.542 . 0 0 "[ . 1 . 2 ]" 1
729 1 64 ALA H 1 72 ALA MB 3.522 . 5.579 4.475 4.424 4.517 . 0 0 "[ . 1 . 2 ]" 1
730 1 33 PHE H 1 65 GLN H 4.525 . 5.883 4.599 4.059 5.320 . 0 0 "[ . 1 . 2 ]" 1
731 1 30 SER H 1 65 GLN H 4.601 . 5.981 5.684 5.117 6.067 0.086 19 0 "[ . 1 . 2 ]" 1
732 1 65 GLN H 1 65 GLN HE21 4.824 . 6.271 4.645 3.834 5.408 . 0 0 "[ . 1 . 2 ]" 1
733 1 30 SER HA 1 65 GLN H 3.543 . 4.606 4.073 3.404 4.613 0.007 4 0 "[ . 1 . 2 ]" 1
734 1 30 SER HB3 1 65 GLN H 3.213 . 4.177 2.600 1.978 3.177 . 0 0 "[ . 1 . 2 ]" 1
735 1 30 SER HB2 1 65 GLN H 3.489 . 4.536 3.691 3.115 4.181 . 0 0 "[ . 1 . 2 ]" 1
736 1 65 GLN H 1 65 GLN QG 3.344 . 5.347 3.365 2.246 4.194 . 0 0 "[ . 1 . 2 ]" 1
737 1 64 ALA MB 1 65 GLN H 2.878 . 4.741 3.353 2.982 3.676 . 0 0 "[ . 1 . 2 ]" 1
738 1 63 ILE MG 1 65 GLN H 2.707 . 4.519 3.000 2.271 3.495 . 0 0 "[ . 1 . 2 ]" 1
739 1 30 SER HB2 1 66 GLY H 4.908 . 6.380 3.882 3.580 4.153 . 0 0 "[ . 1 . 2 ]" 1
740 1 67 GLU H 1 68 ASP HA 5.316 . 6.911 5.377 5.096 5.598 . 0 0 "[ . 1 . 2 ]" 1
741 1 30 SER HB3 1 67 GLU H 4.247 . 5.521 4.649 4.268 5.090 . 0 0 "[ . 1 . 2 ]" 1
742 1 29 THR HB 1 68 ASP H 4.435 . 5.765 4.400 3.292 5.811 0.046 20 0 "[ . 1 . 2 ]" 1
743 1 66 GLY HA3 1 69 GLU H 4.305 . 6.996 4.294 3.702 5.000 . 0 0 "[ . 1 . 2 ]" 1
744 1 30 SER HB2 1 69 GLU H 5.845 . 7.598 5.255 4.601 5.748 . 0 0 "[ . 1 . 2 ]" 1
745 1 70 GLN H 1 70 GLN QB 2.234 . 3.904 2.150 1.956 2.329 . 0 0 "[ . 1 . 2 ]" 1
746 1 70 GLN H 1 72 ALA MB 4.786 . 7.222 4.858 4.348 5.109 . 0 0 "[ . 1 . 2 ]" 1
747 1 70 GLN QE 1 71 GLU H 5.903 . 7.674 4.321 3.856 4.614 . 0 0 "[ . 1 . 2 ]" 1
748 1 69 GLU HA 1 71 GLU H 3.965 . 5.154 4.493 3.785 4.734 . 0 0 "[ . 1 . 2 ]" 1
749 1 71 GLU H 1 73 LEU HG 4.188 . 5.444 4.155 3.898 5.559 0.115 10 0 "[ . 1 . 2 ]" 1
750 1 64 ALA MB 1 71 GLU H 6.000 . 8.800 4.466 3.504 4.891 . 0 0 "[ . 1 . 2 ]" 1
751 1 68 ASP HA 1 72 ALA H 3.925 . 5.103 4.145 3.801 4.513 . 0 0 "[ . 1 . 2 ]" 1
752 1 75 LYS H 1 75 LYS QE 4.142 . 6.385 4.682 3.840 5.349 . 0 0 "[ . 1 . 2 ]" 1
753 1 71 GLU QG 1 75 LYS H 4.786 . 7.222 4.501 3.705 4.900 . 0 0 "[ . 1 . 2 ]" 1
754 1 73 LEU QD 1 75 LYS H 3.310 . 6.703 4.494 3.403 5.005 . 0 0 "[ . 1 . 2 ]" 1
755 1 75 LYS HB3 1 76 LEU H 2.808 . 3.650 3.759 3.091 4.276 0.626 18 4 "[ * - 1 * . + 2 ]" 1
756 1 75 LYS HG2 1 76 LEU H 2.951 . 3.836 3.548 2.183 4.631 0.795 21 6 "[ *. -1 ** 2+ *]" 1
757 1 76 LEU HA 1 77 ALA H 3.129 . 4.068 3.658 3.624 3.691 . 0 0 "[ . 1 . 2 ]" 1
758 1 62 LEU QD 1 77 ALA H 2.975 . 6.267 2.697 1.994 3.575 . 0 0 "[ . 1 . 2 ]" 1
759 1 79 TYR H 1 79 TYR QE 4.865 . 7.325 6.075 5.955 6.159 . 0 0 "[ . 1 . 2 ]" 1
760 1 76 LEU MD1 1 79 TYR H 3.947 . 6.131 4.596 4.090 4.930 . 0 0 "[ . 1 . 2 ]" 1
761 1 81 GLN H 1 81 GLN HE22 5.719 . 7.435 5.328 5.004 5.666 . 0 0 "[ . 1 . 2 ]" 1
762 1 77 ALA HA 1 81 GLN H 4.808 . 6.250 4.418 4.099 5.001 . 0 0 "[ . 1 . 2 ]" 1
763 1 82 GLU H 1 82 GLU QB 2.758 . 3.585 2.166 1.829 2.653 . 0 0 "[ . 1 . 2 ]" 1
764 1 10 LYS HB3 1 82 GLU H 3.556 . 4.623 4.021 3.074 4.672 0.049 5 0 "[ . 1 . 2 ]" 1
765 1 79 TYR QE 1 83 GLU H 4.819 . 7.265 5.707 4.282 6.655 . 0 0 "[ . 1 . 2 ]" 1
766 1 10 LYS QE 1 84 VAL H 6.000 . 7.800 4.037 2.894 4.899 . 0 0 "[ . 1 . 2 ]" 1
767 1 83 GLU HG3 1 84 VAL H 3.007 . 3.909 2.473 1.575 4.370 0.461 15 0 "[ . 1 . 2 ]" 1
768 1 4 LYS HA 1 73 LEU QD 2.487 . 5.633 2.386 1.893 2.849 . 0 0 "[ . 1 . 2 ]" 1
769 1 9 LEU HA 1 80 VAL HB 3.538 . 4.599 3.039 2.252 4.127 . 0 0 "[ . 1 . 2 ]" 1
770 1 9 LEU HA 1 80 VAL QG 3.075 . 6.398 3.267 1.888 4.133 . 0 0 "[ . 1 . 2 ]" 1
771 1 12 GLY HA2 1 13 LEU H 2.844 . 3.697 2.851 2.566 3.558 . 0 0 "[ . 1 . 2 ]" 1
772 1 12 GLY HA2 1 56 THR HA 2.620 . 3.406 2.613 2.250 2.903 . 0 0 "[ . 1 . 2 ]" 1
773 1 9 LEU HG 1 12 GLY HA3 2.817 . 3.662 3.382 3.004 3.766 0.104 1 0 "[ . 1 . 2 ]" 1
774 1 21 PHE HA 1 24 GLU HG3 3.537 . 4.598 3.486 2.569 4.612 0.014 8 0 "[ . 1 . 2 ]" 1
775 1 21 PHE HA 1 76 LEU HB3 3.840 . 4.992 4.895 3.835 5.129 0.137 19 0 "[ . 1 . 2 ]" 1
776 1 20 LEU MD2 1 21 PHE HA 3.624 . 5.711 3.924 2.944 5.474 . 0 0 "[ . 1 . 2 ]" 1
777 1 21 PHE HA 1 76 LEU MD1 4.485 . 6.831 2.207 1.442 2.494 . 0 0 "[ . 1 . 2 ]" 1
778 1 21 PHE HA 1 76 LEU MD2 4.132 . 6.372 3.552 2.099 4.817 . 0 0 "[ . 1 . 2 ]" 1
779 1 24 GLU HA 1 76 LEU MD2 3.419 . 5.445 4.032 3.461 5.559 0.114 17 0 "[ . 1 . 2 ]" 1
780 1 30 SER HA 1 30 SER HG 2.962 . 3.851 3.588 3.117 3.768 . 0 0 "[ . 1 . 2 ]" 1
781 1 30 SER HA 1 66 GLY HA3 3.160 . 4.108 1.153 0.948 1.300 . 0 0 "[ . 1 . 2 ]" 1
782 1 32 VAL HA 1 64 ALA MB 2.881 . 4.745 3.317 2.935 3.598 . 0 0 "[ . 1 . 2 ]" 1
783 1 37 ASP HB3 1 38 GLY HA3 3.733 . 4.853 4.706 4.552 4.820 . 0 0 "[ . 1 . 2 ]" 1
784 1 37 ASP HB2 1 38 GLY HA3 3.572 . 4.644 4.736 4.631 4.870 0.226 23 0 "[ . 1 . 2 ]" 1
785 1 41 VAL HA 1 48 GLY QA 3.930 . 6.109 4.598 3.800 5.148 . 0 0 "[ . 1 . 2 ]" 1
786 1 24 GLU HA 1 26 ASN QB 2.873 . 4.735 4.290 4.197 4.348 . 0 0 "[ . 1 . 2 ]" 1
787 1 24 GLU HA 1 27 ARG QB 2.203 . 2.864 2.187 1.464 2.867 0.003 5 0 "[ . 1 . 2 ]" 1
788 1 13 LEU QD 1 49 LEU HA 3.015 . 6.320 1.963 1.173 3.388 . 0 0 "[ . 1 . 2 ]" 1
789 1 36 LYS QE 1 53 ALA HA 4.645 . 7.038 5.628 4.080 6.274 . 0 0 "[ . 1 . 2 ]" 1
790 1 9 LEU HG 1 53 ALA HA 3.568 . 4.638 3.735 2.542 4.687 0.049 14 0 "[ . 1 . 2 ]" 1
791 1 9 LEU QD 1 53 ALA HA 3.491 . 6.938 1.983 1.518 2.503 . 0 0 "[ . 1 . 2 ]" 1
792 1 12 GLY HA3 1 55 SER HA 3.592 . 4.670 4.713 4.532 4.796 0.126 17 0 "[ . 1 . 2 ]" 1
793 1 61 THR HA 1 77 ALA MB 3.816 . 5.961 4.016 3.697 4.431 . 0 0 "[ . 1 . 2 ]" 1
794 1 60 VAL MG2 1 61 THR HA 3.451 . 5.486 4.410 4.216 5.114 . 0 0 "[ . 1 . 2 ]" 1
795 1 4 LYS HB2 1 63 ILE HA 2.666 . 3.466 3.147 2.805 3.473 0.007 23 0 "[ . 1 . 2 ]" 1
796 1 30 SER HB3 1 64 ALA HA 3.582 . 4.657 2.992 2.583 3.437 . 0 0 "[ . 1 . 2 ]" 1
797 1 30 SER HB2 1 64 ALA HA 3.864 . 5.023 3.261 2.915 3.713 . 0 0 "[ . 1 . 2 ]" 1
798 1 64 ALA HA 1 65 GLN QB 3.551 . 4.616 3.972 3.400 4.508 . 0 0 "[ . 1 . 2 ]" 1
799 1 32 VAL HB 1 64 ALA HA 3.454 . 4.490 3.984 2.798 4.510 0.020 8 0 "[ . 1 . 2 ]" 1
800 1 65 GLN HA 1 69 GLU HA 3.538 . 4.599 3.596 3.196 4.049 . 0 0 "[ . 1 . 2 ]" 1
801 1 65 GLN HA 1 66 GLY HA2 3.500 . 4.550 4.362 4.249 4.463 . 0 0 "[ . 1 . 2 ]" 1
802 1 30 SER HA 1 66 GLY HA2 2.665 . 3.465 2.326 2.037 2.824 . 0 0 "[ . 1 . 2 ]" 1
803 1 68 ASP HA 1 71 GLU QB 2.553 . 4.319 2.887 2.450 3.629 . 0 0 "[ . 1 . 2 ]" 1
804 1 68 ASP HA 1 69 GLU QB 4.098 . 5.327 4.713 4.226 5.090 . 0 0 "[ . 1 . 2 ]" 1
805 1 68 ASP HA 1 72 ALA MB 3.307 . 5.299 4.303 4.247 4.354 . 0 0 "[ . 1 . 2 ]" 1
806 1 30 SER HB2 1 69 GLU HA 3.868 . 5.028 3.865 3.456 4.362 . 0 0 "[ . 1 . 2 ]" 1
807 1 64 ALA MB 1 69 GLU HA 2.486 . 4.232 2.116 1.734 2.464 . 0 0 "[ . 1 . 2 ]" 1
808 1 69 GLU HA 1 73 LEU QD 3.096 . 6.425 2.942 2.660 3.618 . 0 0 "[ . 1 . 2 ]" 1
809 1 69 GLU HA 1 72 ALA MB 2.390 . 4.107 2.868 2.141 3.212 . 0 0 "[ . 1 . 2 ]" 1
810 1 25 ALA HA 1 72 ALA HA 3.310 . 4.303 4.016 3.490 4.347 0.044 2 0 "[ . 1 . 2 ]" 1
811 1 71 GLU QG 1 72 ALA HA 3.838 . 5.989 3.072 2.657 3.512 . 0 0 "[ . 1 . 2 ]" 1
812 1 64 ALA MB 1 72 ALA HA 3.413 . 5.437 3.697 3.555 3.916 . 0 0 "[ . 1 . 2 ]" 1
813 1 73 LEU HA 1 73 LEU QD 2.177 . 5.230 3.390 3.290 3.431 . 0 0 "[ . 1 . 2 ]" 1
814 1 76 LEU HA 1 79 TYR HB3 2.941 . 3.823 2.606 2.211 2.951 . 0 0 "[ . 1 . 2 ]" 1
815 1 79 TYR HA 1 82 GLU QG 3.213 . 5.177 3.415 1.568 4.691 . 0 0 "[ . 1 . 2 ]" 1
816 1 78 ALA MB 1 79 TYR HA 3.263 . 5.242 3.627 3.505 3.718 . 0 0 "[ . 1 . 2 ]" 1
817 1 9 LEU HA 1 81 GLN HA 3.033 . 3.943 3.865 3.336 4.058 0.115 1 0 "[ . 1 . 2 ]" 1
818 1 80 VAL QG 1 81 GLN HA 3.012 . 6.316 3.296 2.905 3.540 . 0 0 "[ . 1 . 2 ]" 1
819 1 10 LYS HB3 1 84 VAL HA 3.141 . 4.083 4.249 4.060 4.721 0.638 21 2 "[ . 1 - . 2+ ]" 1
820 1 56 THR MG 1 57 GLY HA3 3.239 . 5.211 3.811 3.364 4.253 . 0 0 "[ . 1 . 2 ]" 1
821 1 56 THR MG 1 57 GLY HA2 3.395 . 5.413 3.829 3.561 4.042 . 0 0 "[ . 1 . 2 ]" 1
822 1 8 ARG QG 1 57 GLY HA2 2.886 . 3.752 1.898 1.588 2.179 . 0 0 "[ . 1 . 2 ]" 1
823 1 18 ALA HA 1 21 PHE HB3 2.778 . 3.611 2.709 1.675 3.610 . 0 0 "[ . 1 . 2 ]" 1
824 1 18 ALA HA 1 21 PHE HB2 2.719 . 3.535 3.085 2.003 3.637 0.102 11 0 "[ . 1 . 2 ]" 1
825 1 76 LEU MD2 1 79 TYR HB3 3.637 . 5.728 3.890 2.868 5.017 . 0 0 "[ . 1 . 2 ]" 1
826 1 76 LEU MD2 1 79 TYR HB2 3.796 . 5.935 4.277 3.296 5.339 . 0 0 "[ . 1 . 2 ]" 1
827 1 79 TYR HB3 1 80 VAL QG 2.731 . 5.950 2.870 2.606 3.200 . 0 0 "[ . 1 . 2 ]" 1
828 1 79 TYR HB2 1 80 VAL QG 2.815 . 6.059 4.184 4.002 4.379 . 0 0 "[ . 1 . 2 ]" 1
829 1 23 GLN HA 1 26 ASN QB 2.342 . 4.045 2.111 1.328 2.750 . 0 0 "[ . 1 . 2 ]" 1
830 1 68 ASP HB2 1 71 GLU QB 2.873 . 4.735 3.248 1.875 4.028 . 0 0 "[ . 1 . 2 ]" 1
831 1 68 ASP HB2 1 71 GLU QG 3.212 . 5.176 3.351 2.671 3.802 . 0 0 "[ . 1 . 2 ]" 1
832 1 68 ASP HB3 1 71 GLU QB 2.286 . 3.972 2.215 1.538 3.373 . 0 0 "[ . 1 . 2 ]" 1
833 1 68 ASP HB3 1 71 GLU QG 2.819 . 4.665 2.439 2.011 4.665 0.000 14 0 "[ . 1 . 2 ]" 1
834 1 28 PHE HB2 1 72 ALA MB 2.484 . 4.229 2.462 1.933 2.981 . 0 0 "[ . 1 . 2 ]" 1
835 1 33 PHE HB3 1 63 ILE MD 2.477 . 4.220 2.402 2.112 2.911 . 0 0 "[ . 1 . 2 ]" 1
836 1 80 VAL QG 1 81 GLN QG 2.515 . 5.670 2.722 2.040 3.104 . 0 0 "[ . 1 . 2 ]" 1
837 1 81 GLN QG 1 82 GLU QB 2.590 . 3.367 2.933 2.261 3.108 . 0 0 "[ . 1 . 2 ]" 1
838 1 46 ILE HG12 1 50 MET HB3 3.079 . 4.003 2.745 1.794 4.090 0.087 7 0 "[ . 1 . 2 ]" 1
839 1 46 ILE HG12 1 50 MET HB2 2.747 . 3.571 3.127 2.229 4.011 0.440 23 0 "[ . 1 . 2 ]" 1
840 1 46 ILE MD 1 47 MET HB3 2.562 . 4.331 3.739 2.597 4.460 0.129 13 0 "[ . 1 . 2 ]" 1
841 1 2 GLN HG3 1 65 GLN HA 3.793 . 4.931 3.423 2.908 3.973 . 0 0 "[ . 1 . 2 ]" 1
842 1 2 GLN HG3 1 63 ILE MD 2.428 . 4.156 3.423 3.090 4.478 0.322 23 0 "[ . 1 . 2 ]" 1
843 1 71 GLU QG 1 75 LYS QE 2.697 . 5.506 4.050 3.256 4.316 . 0 0 "[ . 1 . 2 ]" 1
844 1 71 GLU QG 1 75 LYS QD 2.415 . 5.139 3.331 2.320 3.698 . 0 0 "[ . 1 . 2 ]" 1
845 1 71 GLU QG 1 75 LYS HG2 2.511 . 4.264 3.609 2.638 4.585 0.321 9 0 "[ . 1 . 2 ]" 1
846 1 73 LEU QD 1 74 GLU HG3 2.704 . 5.915 3.383 1.348 4.903 . 0 0 "[ . 1 . 2 ]" 1
847 1 29 THR MG 1 67 GLU QG 2.575 . 5.348 2.315 1.553 3.636 . 0 0 "[ . 1 . 2 ]" 1
848 1 10 LYS HB3 1 81 GLN QB 3.200 . 4.160 3.785 3.411 4.073 . 0 0 "[ . 1 . 2 ]" 1
849 1 7 VAL QG 1 81 GLN QB 2.345 . 4.049 2.023 1.025 3.041 . 0 0 "[ . 1 . 2 ]" 1
850 1 17 PRO HA 1 20 LEU HB3 3.710 . 4.823 2.649 1.794 3.544 . 0 0 "[ . 1 . 2 ]" 1
851 1 17 PRO HA 1 20 LEU HB2 3.358 . 4.365 2.767 1.934 3.617 . 0 0 "[ . 1 . 2 ]" 1
852 1 62 LEU QD 1 76 LEU HB2 3.535 . 6.996 2.212 1.459 4.035 . 0 0 "[ . 1 . 2 ]" 1
853 1 48 GLY QA 1 52 LEU HB2 3.228 . 5.196 2.833 2.423 3.248 . 0 0 "[ . 1 . 2 ]" 1
854 1 35 GLU HB3 1 40 LYS HA 2.772 . 3.604 3.199 2.300 3.633 0.029 7 0 "[ . 1 . 2 ]" 1
855 1 35 GLU HB3 1 61 THR HB 4.376 . 5.689 3.904 3.164 4.857 . 0 0 "[ . 1 . 2 ]" 1
856 1 21 PHE HA 1 24 GLU HG2 3.846 . 5.000 3.424 2.418 4.398 . 0 0 "[ . 1 . 2 ]" 1
857 1 24 GLU HG2 1 76 LEU MD2 3.202 . 5.163 3.781 2.658 5.037 . 0 0 "[ . 1 . 2 ]" 1
858 1 24 GLU HG3 1 76 LEU MD2 2.927 . 4.805 2.957 1.052 4.851 0.046 17 0 "[ . 1 . 2 ]" 1
859 1 36 LYS HB3 1 60 VAL MG1 4.168 . 6.418 2.862 2.263 3.454 . 0 0 "[ . 1 . 2 ]" 1
860 1 4 LYS HB3 1 63 ILE HG12 3.656 . 4.753 1.149 0.930 1.518 . 0 0 "[ . 1 . 2 ]" 1
861 1 33 PHE HB3 1 63 ILE HG12 4.135 . 4.849 4.936 4.408 5.536 0.687 19 3 "[ . 1 -. +2 * ]" 1
862 1 33 PHE HB2 1 63 ILE HG12 3.384 . 4.399 3.578 3.171 4.042 . 0 0 "[ . 1 . 2 ]" 1
863 1 62 LEU HA 1 63 ILE HG12 3.789 . 4.926 4.962 4.597 5.423 0.497 6 0 "[ . 1 . 2 ]" 1
864 1 4 LYS HA 1 63 ILE HG12 3.583 . 3.912 3.377 3.012 3.619 . 0 0 "[ . 1 . 2 ]" 1
865 1 25 ALA HA 1 76 LEU MD1 2.735 . 4.556 3.534 2.950 3.809 . 0 0 "[ . 1 . 2 ]" 1
866 1 9 LEU QD 1 13 LEU QD 1.793 . 5.731 1.730 1.238 2.695 . 0 0 "[ . 1 . 2 ]" 1
867 1 13 LEU QD 1 80 VAL HB 3.174 . 6.526 3.599 2.336 4.430 . 0 0 "[ . 1 . 2 ]" 1
868 1 13 LEU QD 1 21 PHE HB3 3.394 . 6.812 2.504 1.830 3.044 . 0 0 "[ . 1 . 2 ]" 1
869 1 25 ALA MB 1 76 LEU MD2 2.588 . 6.764 2.878 2.042 3.177 . 0 0 "[ . 1 . 2 ]" 1
870 1 25 ALA HA 1 76 LEU MD2 2.595 . 4.373 2.674 1.669 3.462 . 0 0 "[ . 1 . 2 ]" 1
871 1 64 ALA MB 1 72 ALA MB 2.357 . 5.064 1.530 1.449 1.645 . 0 0 "[ . 1 . 2 ]" 1
872 1 30 SER HB2 1 72 ALA MB 3.413 . 5.437 2.857 2.593 3.192 . 0 0 "[ . 1 . 2 ]" 1
873 1 28 PHE HB3 1 72 ALA MB 2.861 . 4.719 2.269 1.597 3.251 . 0 0 "[ . 1 . 2 ]" 1
874 1 33 PHE HB2 1 63 ILE MD 2.846 . 4.700 1.670 1.291 2.003 . 0 0 "[ . 1 . 2 ]" 1
875 1 34 LEU HA 1 63 ILE MD 3.744 . 5.867 4.647 4.083 4.861 . 0 0 "[ . 1 . 2 ]" 1
876 1 62 LEU HA 1 63 ILE MD 3.976 . 6.169 5.083 4.733 5.187 . 0 0 "[ . 1 . 2 ]" 1
877 1 33 PHE QD 1 63 ILE MD 3.920 . 7.096 2.299 1.442 3.330 . 0 0 "[ . 1 . 2 ]" 1
878 1 4 LYS HA 1 4 LYS HB3 2.846 . 3.700 2.345 2.254 2.447 . 0 0 "[ . 1 . 2 ]" 1
879 1 4 LYS HA 1 4 LYS HD3 3.510 . 4.563 4.262 3.505 5.105 0.542 20 2 "[ . 1 -. + ]" 1
880 1 4 LYS HA 1 4 LYS HD2 3.893 . 5.061 4.189 3.730 4.841 . 0 0 "[ . 1 . 2 ]" 1
881 1 7 VAL HA 1 7 VAL HB 2.689 . 3.496 2.422 2.248 2.645 . 0 0 "[ . 1 . 2 ]" 1
882 1 7 VAL HA 1 7 VAL QG 3.014 . 4.826 2.438 2.152 2.669 . 0 0 "[ . 1 . 2 ]" 1
883 1 9 LEU HA 1 9 LEU QD 2.838 . 6.089 1.851 1.454 2.191 . 0 0 "[ . 1 . 2 ]" 1
884 1 9 LEU QB 1 9 LEU QD 2.253 . 6.329 1.939 1.848 2.057 . 0 0 "[ . 1 . 2 ]" 1
885 1 10 LYS HA 1 10 LYS QD 2.852 . 4.708 3.694 3.373 4.245 . 0 0 "[ . 1 . 2 ]" 1
886 1 10 LYS HA 1 10 LYS QE 3.179 . 4.133 3.886 3.659 4.038 . 0 0 "[ . 1 . 2 ]" 1
887 1 11 THR HA 1 11 THR MG 3.084 . 5.009 2.289 2.091 2.398 . 0 0 "[ . 1 . 2 ]" 1
888 1 13 LEU HB3 1 13 LEU QD 2.870 . 6.131 2.263 2.063 2.441 . 0 0 "[ . 1 . 2 ]" 1
889 1 13 LEU HA 1 13 LEU HG 3.950 . 5.135 3.206 1.808 3.696 . 0 0 "[ . 1 . 2 ]" 1
890 1 13 LEU HA 1 13 LEU QD 3.438 . 5.469 1.986 1.569 2.841 . 0 0 "[ . 1 . 2 ]" 1
891 1 17 PRO HA 1 17 PRO HG3 3.133 . 4.073 4.174 4.074 4.256 0.183 1 0 "[ . 1 . 2 ]" 1
892 1 17 PRO HD3 1 17 PRO HG2 2.864 . 3.723 3.035 3.021 3.051 . 0 0 "[ . 1 . 2 ]" 1
893 1 17 PRO HD2 1 17 PRO HG3 2.861 . 3.719 2.654 2.540 2.715 . 0 0 "[ . 1 . 2 ]" 1
894 1 17 PRO HD2 1 17 PRO HG2 2.426 . 3.154 2.375 2.349 2.427 . 0 0 "[ . 1 . 2 ]" 1
895 1 18 ALA HA 1 18 ALA MB 2.314 . 4.008 2.151 2.093 2.185 . 0 0 "[ . 1 . 2 ]" 1
896 1 19 ALA HA 1 19 ALA MB 2.146 . 3.790 2.166 2.153 2.183 . 0 0 "[ . 1 . 2 ]" 1
897 1 20 LEU HA 1 20 LEU HB2 2.821 . 3.667 2.566 2.477 2.633 . 0 0 "[ . 1 . 2 ]" 1
898 1 21 PHE HA 1 21 PHE HB2 2.703 . 3.514 2.507 2.337 3.046 . 0 0 "[ . 1 . 2 ]" 1
899 1 22 VAL HA 1 22 VAL HB 2.843 . 3.696 2.793 2.258 3.039 . 0 0 "[ . 1 . 2 ]" 1
900 1 23 GLN HA 1 23 GLN QB 2.423 . 4.150 2.259 2.096 2.406 . 0 0 "[ . 1 . 2 ]" 1
901 1 26 ASN HA 1 26 ASN QB 2.597 . 4.376 2.563 2.520 2.602 . 0 0 "[ . 1 . 2 ]" 1
902 1 24 GLU HA 1 27 ARG HG3 2.575 . 3.348 2.528 1.726 3.754 0.406 6 0 "[ . 1 . 2 ]" 1
903 1 27 ARG QD 1 27 ARG HG3 2.491 . 4.238 2.275 2.159 2.422 . 0 0 "[ . 1 . 2 ]" 1
904 1 27 ARG HA 1 27 ARG HG2 2.554 . 3.320 2.482 1.974 4.139 0.819 23 1 "[ . 1 . 2 + ]" 1
905 1 27 ARG QD 1 27 ARG HG2 2.453 . 4.189 2.368 2.175 2.495 . 0 0 "[ . 1 . 2 ]" 1
906 1 30 SER HA 1 30 SER HB3 2.892 . 3.760 2.420 2.358 2.473 . 0 0 "[ . 1 . 2 ]" 1
907 1 33 PHE HA 1 33 PHE HB2 2.925 . 3.802 3.038 3.030 3.049 . 0 0 "[ . 1 . 2 ]" 1
908 1 34 LEU HA 1 34 LEU QD 3.632 . 5.722 2.054 1.628 3.364 . 0 0 "[ . 1 . 2 ]" 1
909 1 35 GLU HA 1 35 GLU HB3 2.575 . 3.348 2.340 2.122 2.519 . 0 0 "[ . 1 . 2 ]" 1
910 1 35 GLU HA 1 35 GLU HG2 2.943 . 3.826 2.897 2.618 3.787 . 0 0 "[ . 1 . 2 ]" 1
911 1 35 GLU HA 1 35 GLU HG3 3.134 . 4.074 3.305 3.167 3.495 . 0 0 "[ . 1 . 2 ]" 1
912 1 36 LYS HA 1 36 LYS HG2 3.154 . 4.100 2.495 2.314 2.945 . 0 0 "[ . 1 . 2 ]" 1
913 1 37 ASP HA 1 37 ASP HB3 2.360 . 3.068 2.488 2.434 2.536 . 0 0 "[ . 1 . 2 ]" 1
914 1 37 ASP HA 1 37 ASP HB2 2.565 . 3.335 3.032 3.021 3.042 . 0 0 "[ . 1 . 2 ]" 1
915 1 39 LYS HA 1 39 LYS QG 3.518 . 4.573 2.881 2.388 3.323 . 0 0 "[ . 1 . 2 ]" 1
916 1 6 GLU HA 1 77 ALA MB 2.507 . 4.259 3.484 3.424 3.562 . 0 0 "[ . 1 . 2 ]" 1
917 1 7 VAL HB 1 81 GLN QG 2.717 . 3.532 2.612 2.101 3.294 . 0 0 "[ . 1 . 2 ]" 1
918 1 12 GLY HA2 1 54 VAL HA 2.440 . 3.172 3.196 3.041 3.313 0.141 12 0 "[ . 1 . 2 ]" 1
919 1 9 LEU QD 1 13 LEU HG 2.390 . 5.507 3.400 2.165 3.995 . 0 0 "[ . 1 . 2 ]" 1
920 1 13 LEU QD 1 18 ALA HA 2.398 . 5.517 1.780 0.989 3.016 . 0 0 "[ . 1 . 2 ]" 1
921 1 11 THR HB 1 18 ALA MB 3.001 . 4.901 3.515 2.131 4.034 . 0 0 "[ . 1 . 2 ]" 1
922 1 17 PRO HG2 1 18 ALA MB 3.126 . 5.064 3.015 2.618 3.663 . 0 0 "[ . 1 . 2 ]" 1
923 1 19 ALA HA 1 22 VAL HB 2.973 . 3.865 3.187 2.229 4.101 0.236 6 0 "[ . 1 . 2 ]" 1
924 1 25 ALA MB 1 76 LEU MD1 2.265 . 4.944 2.351 1.896 3.103 . 0 0 "[ . 1 . 2 ]" 1
925 1 26 ASN QB 1 27 ARG HG3 3.064 . 4.983 3.673 3.069 4.572 . 0 0 "[ . 1 . 2 ]" 1
926 1 26 ASN QB 1 27 ARG HG2 2.985 . 4.880 4.120 2.658 4.578 . 0 0 "[ . 1 . 2 ]" 1
927 1 30 SER HA 1 31 ASP QB 3.455 . 4.492 4.129 3.875 4.382 . 0 0 "[ . 1 . 2 ]" 1
928 1 30 SER HA 1 32 VAL QG 3.357 . 5.364 3.967 3.838 4.131 . 0 0 "[ . 1 . 2 ]" 1
929 1 31 ASP QB 1 65 GLN QB 3.096 . 4.025 2.593 1.278 3.513 . 0 0 "[ . 1 . 2 ]" 1
930 1 32 VAL HB 1 44 LYS QE 3.268 . 5.248 3.189 1.387 4.669 . 0 0 "[ . 1 . 2 ]" 1
931 1 30 SER HB2 1 32 VAL QG 2.533 . 4.293 2.025 1.866 2.364 . 0 0 "[ . 1 . 2 ]" 1
932 1 26 ASN HA 1 32 VAL QG 2.947 . 4.831 3.611 3.115 3.907 . 0 0 "[ . 1 . 2 ]" 1
933 1 30 SER HB3 1 32 VAL QG 3.167 . 5.117 2.933 2.616 3.261 . 0 0 "[ . 1 . 2 ]" 1
934 1 28 PHE HB3 1 32 VAL QG 3.988 . 6.184 4.040 2.803 5.128 . 0 0 "[ . 1 . 2 ]" 1
935 1 32 VAL QG 1 64 ALA MB 1.970 . 4.561 2.048 1.725 2.413 . 0 0 "[ . 1 . 2 ]" 1
936 1 33 PHE HA 1 33 PHE QD 3.524 . 5.581 2.467 1.978 3.183 . 0 0 "[ . 1 . 2 ]" 1
937 1 35 GLU HG2 1 61 THR HB 3.670 . 4.771 3.830 3.488 4.230 . 0 0 "[ . 1 . 2 ]" 1
938 1 35 GLU HG2 1 40 LYS HA 2.775 . 3.607 2.795 2.524 3.573 . 0 0 "[ . 1 . 2 ]" 1
939 1 35 GLU HG3 1 40 LYS HA 2.962 . 3.851 3.635 3.084 3.864 0.013 20 0 "[ . 1 . 2 ]" 1
940 1 35 GLU HG3 1 61 THR HB 3.680 . 4.784 2.490 2.035 3.564 . 0 0 "[ . 1 . 2 ]" 1
941 1 36 LYS HB2 1 36 LYS HG3 2.198 . 2.857 2.446 2.266 2.541 . 0 0 "[ . 1 . 2 ]" 1
942 1 36 LYS HB3 1 36 LYS QE 3.149 . 5.094 2.041 1.418 4.237 . 0 0 "[ . 1 . 2 ]" 1
943 1 36 LYS HB2 1 36 LYS QE 2.832 . 4.682 2.989 2.139 4.102 . 0 0 "[ . 1 . 2 ]" 1
944 1 36 LYS HG3 1 60 VAL MG1 2.832 . 4.682 2.411 1.545 3.456 . 0 0 "[ . 1 . 2 ]" 1
945 1 40 LYS HA 1 41 VAL MG1 2.455 . 4.191 3.539 3.125 4.088 . 0 0 "[ . 1 . 2 ]" 1
946 1 35 GLU HA 1 40 LYS HB2 2.541 . 3.303 2.578 2.163 3.070 . 0 0 "[ . 1 . 2 ]" 1
947 1 35 GLU HA 1 40 LYS HB3 2.695 . 3.503 3.503 3.140 3.620 0.117 14 0 "[ . 1 . 2 ]" 1
948 1 35 GLU HB3 1 40 LYS HB3 2.624 . 3.411 3.000 1.869 4.334 0.923 7 1 "[ . + 1 . 2 ]" 1
949 1 33 PHE HB2 1 40 LYS HG2 2.713 . 3.527 3.355 2.808 3.607 0.080 23 0 "[ . 1 . 2 ]" 1
950 1 33 PHE HB2 1 40 LYS HG3 2.581 . 3.355 3.242 2.392 3.550 0.195 13 0 "[ . 1 . 2 ]" 1
951 1 33 PHE HB3 1 40 LYS HG2 2.531 . 3.290 1.957 1.640 2.455 . 0 0 "[ . 1 . 2 ]" 1
952 1 33 PHE HB3 1 40 LYS HG3 2.715 . 3.530 2.646 1.941 3.195 . 0 0 "[ . 1 . 2 ]" 1
953 1 40 LYS HE2 1 40 LYS HG2 2.402 . 3.123 2.941 1.983 3.878 0.755 3 7 "[ + . *- * * * * ]" 1
954 1 40 LYS HE2 1 40 LYS HG3 2.199 . 2.859 3.173 2.456 3.739 0.880 7 9 "[ * . + ** *** * - ]" 1
955 1 35 GLU HG2 1 40 LYS HG2 2.560 . 3.328 2.859 2.067 3.353 0.025 9 0 "[ . 1 . 2 ]" 1
956 1 35 GLU HG2 1 40 LYS HG3 2.386 . 3.102 2.285 1.656 2.957 . 0 0 "[ . 1 . 2 ]" 1
957 1 40 LYS HE3 1 41 VAL HA 3.693 . 4.801 4.506 3.628 4.875 0.074 23 0 "[ . 1 . 2 ]" 1
958 1 40 LYS HE2 1 41 VAL HA 3.718 . 4.833 4.139 2.784 4.841 0.008 18 0 "[ . 1 . 2 ]" 1
959 1 41 VAL MG1 1 48 GLY QA 3.129 . 6.068 2.912 1.577 3.777 . 0 0 "[ . 1 . 2 ]" 1
960 1 33 PHE QD 1 42 ASN HA 2.509 . 4.262 2.087 1.548 3.147 . 0 0 "[ . 1 . 2 ]" 1
961 1 52 LEU HA 1 52 LEU HB3 2.832 . 3.682 2.505 2.444 2.567 . 0 0 "[ . 1 . 2 ]" 1
962 1 52 LEU HA 1 52 LEU HG 2.600 . 3.380 3.065 2.297 3.503 0.123 16 0 "[ . 1 . 2 ]" 1
963 1 60 VAL HA 1 60 VAL HB 2.969 . 3.860 2.515 2.389 2.873 . 0 0 "[ . 1 . 2 ]" 1
964 1 51 SER HB3 1 52 LEU MD1 2.075 . 3.698 3.162 2.004 4.166 0.468 23 0 "[ . 1 . 2 ]" 1
965 1 52 LEU HA 1 53 ALA MB 6.000 . 8.800 4.998 4.954 5.042 . 0 0 "[ . 1 . 2 ]" 1
966 1 22 VAL QG 1 53 ALA MB 2.608 . 5.390 3.746 3.611 3.849 . 0 0 "[ . 1 . 2 ]" 1
967 1 8 ARG QG 1 58 THR HA 3.291 . 4.278 3.900 3.207 4.179 . 0 0 "[ . 1 . 2 ]" 1
968 1 36 LYS QE 1 58 THR HA 3.810 . 5.953 4.411 4.102 5.199 . 0 0 "[ . 1 . 2 ]" 1
969 1 36 LYS QE 1 58 THR MG 2.589 . 5.366 1.807 1.538 2.175 . 0 0 "[ . 1 . 2 ]" 1
970 1 36 LYS HB2 1 58 THR MG 3.023 . 4.930 3.439 2.571 4.103 . 0 0 "[ . 1 . 2 ]" 1
971 1 36 LYS HG3 1 60 VAL MG2 2.763 . 4.592 4.229 3.670 5.178 0.586 21 4 "[ * - 1 . *+ ]" 1
972 1 2 GLN HG3 1 65 GLN QB 2.253 . 2.929 1.328 1.109 2.056 . 0 0 "[ . 1 . 2 ]" 1
973 1 10 LYS HG3 1 84 VAL HA 3.217 . 4.182 2.360 1.767 3.518 . 0 0 "[ . 1 . 2 ]" 1
974 1 10 LYS QE 1 83 GLU HG2 2.565 . 3.335 3.257 2.464 4.090 0.755 9 1 "[ . +1 . 2 ]" 1
975 1 26 ASN QB 1 27 ARG HA 2.912 . 4.786 3.502 3.178 3.732 . 0 0 "[ . 1 . 2 ]" 1
976 1 8 ARG HA 1 59 GLU HG2 3.348 . 5.752 4.138 2.591 5.642 . 0 0 "[ . 1 . 2 ]" 1
977 1 66 GLY HA3 1 67 GLU QG 3.302 . 5.293 3.944 3.500 4.381 . 0 0 "[ . 1 . 2 ]" 1
978 1 42 ASN HA 1 43 ALA HA 3.320 . 4.316 4.371 4.338 4.414 0.098 15 0 "[ . 1 . 2 ]" 1
979 1 42 ASN H 1 44 LYS H 4.340 . 5.642 5.674 5.242 5.749 0.107 8 0 "[ . 1 . 2 ]" 1
980 1 42 ASN H 1 45 SER H 5.010 . 6.513 4.966 4.829 5.223 . 0 0 "[ . 1 . 2 ]" 1
981 1 45 SER H 1 48 GLY H 3.910 . 5.083 3.648 3.408 3.905 . 0 0 "[ . 1 . 2 ]" 1
982 1 42 ASN HB3 1 45 SER H 3.791 . 4.928 3.212 2.479 4.360 . 0 0 "[ . 1 . 2 ]" 1
983 1 44 LYS QG 1 45 SER H 3.220 . 5.186 2.705 2.477 2.857 . 0 0 "[ . 1 . 2 ]" 1
984 1 43 ALA MB 1 45 SER H 3.570 . 5.641 4.243 4.077 4.800 . 0 0 "[ . 1 . 2 ]" 1
985 1 45 SER HB3 1 49 LEU H 3.906 . 5.078 5.295 4.631 5.827 0.749 12 7 "[ * . - * + .* 2* *]" 1
986 1 22 VAL HA 1 44 LYS QB 2.540 . 4.302 3.434 2.971 3.903 . 0 0 "[ . 1 . 2 ]" 1
987 1 22 VAL QG 1 44 LYS HA 2.468 . 4.208 2.077 1.329 2.961 . 0 0 "[ . 1 . 2 ]" 1
988 1 22 VAL QG 1 49 LEU HA 2.190 . 3.847 3.021 2.437 3.318 . 0 0 "[ . 1 . 2 ]" 1
989 1 2 GLN HA 1 65 GLN HA 2.821 . 2.821 1.939 1.538 2.595 . 0 0 "[ . 1 . 2 ]" 1
990 1 4 LYS HA 1 63 ILE HA 3.991 . 3.991 1.959 1.830 2.122 . 0 0 "[ . 1 . 2 ]" 1
991 1 6 GLU HA 1 61 THR HA 2.792 . 2.792 1.534 1.266 2.147 . 0 0 "[ . 1 . 2 ]" 1
992 1 8 ARG HA 1 59 GLU HA 2.447 . 2.447 2.015 1.780 2.239 . 0 0 "[ . 1 . 2 ]" 1
993 1 32 VAL HA 1 64 ALA HA 2.727 . 2.727 1.770 1.459 2.050 . 0 0 "[ . 1 . 2 ]" 1
994 1 33 PHE HA 1 42 ASN HA 2.630 . 2.630 2.391 2.177 2.594 . 0 0 "[ . 1 . 2 ]" 1
995 1 34 LEU HA 1 62 LEU HA 2.749 . 2.749 2.384 2.110 2.759 0.010 6 0 "[ . 1 . 2 ]" 1
996 1 36 LYS HA 1 60 VAL HA 3.487 . 3.487 2.327 1.638 2.677 . 0 0 "[ . 1 . 2 ]" 1
997 1 35 GLU HA 1 40 LYS HA 2.601 . 2.601 1.558 1.325 1.724 . 0 0 "[ . 1 . 2 ]" 1
998 1 34 LEU H 1 41 VAL H 3.000 . 3.000 2.139 2.004 2.289 . 0 0 "[ . 1 . 2 ]" 1
999 1 36 LYS H 1 39 LYS H 3.000 . 3.000 3.022 3.015 3.032 0.032 7 0 "[ . 1 . 2 ]" 1
1000 1 3 GLN H 1 64 ALA H 3.000 . 3.000 2.629 2.422 3.001 0.001 19 0 "[ . 1 . 2 ]" 1
1001 1 5 VAL H 1 62 LEU H 2.281 . 2.965 2.929 2.759 2.975 0.010 15 0 "[ . 1 . 2 ]" 1
1002 1 7 VAL H 1 60 VAL H 3.261 . 3.261 2.952 2.647 3.266 0.005 19 0 "[ . 1 . 2 ]" 1
1003 1 35 GLU H 1 61 THR H 3.000 . 3.000 2.525 2.160 2.928 . 0 0 "[ . 1 . 2 ]" 1
1004 1 33 PHE H 1 63 ILE H 3.000 . 3.000 2.718 2.400 3.006 0.006 18 0 "[ . 1 . 2 ]" 1
1005 1 41 VAL MG1 1 48 GLY H 3.681 . 5.785 4.444 3.607 4.838 . 0 0 "[ . 1 . 2 ]" 1
1006 1 41 VAL MG2 1 48 GLY H 3.571 . 5.642 3.318 2.723 4.051 . 0 0 "[ . 1 . 2 ]" 1
1007 1 48 GLY H 1 49 LEU HB3 4.760 . 6.188 4.763 3.877 5.458 . 0 0 "[ . 1 . 2 ]" 1
1008 1 44 LYS QG 1 48 GLY H 4.398 . 6.717 5.897 5.511 6.038 . 0 0 "[ . 1 . 2 ]" 1
1009 1 47 MET HB2 1 48 GLY H 5.769 . 7.500 4.162 3.120 4.379 . 0 0 "[ . 1 . 2 ]" 1
1010 1 47 MET HB3 1 48 GLY H 5.556 . 7.223 3.370 2.638 4.156 . 0 0 "[ . 1 . 2 ]" 1
1011 1 46 ILE H 1 48 GLY H 4.622 . 6.009 4.227 3.979 4.595 . 0 0 "[ . 1 . 2 ]" 1
1012 1 28 PHE QD 1 29 THR H 4.190 . 6.447 3.766 3.128 4.413 . 0 0 "[ . 1 . 2 ]" 1
1013 1 42 ASN HA 1 45 SER H 4.281 . 5.565 4.274 3.955 4.463 . 0 0 "[ . 1 . 2 ]" 1
1014 1 43 ALA HA 1 44 LYS QG 3.563 . 5.632 4.990 4.414 5.083 . 0 0 "[ . 1 . 2 ]" 1
1015 1 22 VAL HA 1 45 SER H 4.670 . 6.071 5.306 4.877 5.807 . 0 0 "[ . 1 . 2 ]" 1
1016 1 32 VAL H 1 43 ALA MB 3.500 . 5.550 4.384 4.305 4.430 . 0 0 "[ . 1 . 2 ]" 1
1017 1 33 PHE H 1 43 ALA MB 3.170 . 5.121 2.640 2.488 2.781 . 0 0 "[ . 1 . 2 ]" 1
1018 1 63 ILE MG 1 64 ALA HA 2.563 . 4.332 2.994 2.778 3.233 . 0 0 "[ . 1 . 2 ]" 1
1019 1 41 VAL HB 1 48 GLY QA 2.673 . 4.475 3.053 1.699 3.826 . 0 0 "[ . 1 . 2 ]" 1
1020 1 33 PHE HA 1 43 ALA MB 3.260 . 5.238 2.470 2.284 2.684 . 0 0 "[ . 1 . 2 ]" 1
1021 1 24 GLU H 1 27 ARG H 3.219 . 4.185 4.301 4.209 4.388 0.203 6 0 "[ . 1 . 2 ]" 1
1022 1 3 GLN QB 1 64 ALA H 3.877 . 6.040 3.973 3.560 4.468 . 0 0 "[ . 1 . 2 ]" 1
1023 1 46 ILE MG 1 47 MET HB2 2.300 . 3.990 2.950 2.440 4.321 0.331 14 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 265
_Distance_constraint_stats_list.Viol_count 31
_Distance_constraint_stats_list.Viol_total 201.152
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.2704
_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 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 LYS 2.866 0.886 5 2 "[ + 1 - . 2 ]"
1 11 THR 2.866 0.886 5 2 "[ + 1 - . 2 ]"
1 12 GLY 0.412 0.412 12 0 "[ . 1 . 2 ]"
1 13 LEU 3.024 0.476 11 0 "[ . 1 . 2 ]"
1 14 GLN 0.412 0.412 12 0 "[ . 1 . 2 ]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 PRO 5.890 0.886 5 2 "[ + 1 - . 2 ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 VAL 0.493 0.145 20 0 "[ . 1 . 2 ]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 GLU 0.493 0.145 20 0 "[ . 1 . 2 ]"
1 25 ALA 0.493 0.145 20 0 "[ . 1 . 2 ]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 VAL 1.586 0.967 15 1 "[ . 1 + 2 ]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 MET 1.586 0.967 15 1 "[ . 1 + 2 ]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 MET 0.412 0.412 12 0 "[ . 1 . 2 ]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 LEU 1.586 0.967 15 1 "[ . 1 + 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 PRO HG2 1 18 ALA H . . 4.973 1.799 1.403 2.260 . 0 0 "[ . 1 . 2 ]" 2
2 1 15 ALA MB 1 18 ALA H . . 5.946 4.142 3.902 4.401 . 0 0 "[ . 1 . 2 ]" 2
3 1 20 LEU MD2 1 24 GLU H . . 5.147 3.427 3.122 4.161 . 0 0 "[ . 1 . 2 ]" 2
4 1 22 VAL HB 1 25 ALA H . . 4.424 3.565 1.983 4.569 0.145 20 0 "[ . 1 . 2 ]" 2
5 1 24 GLU QB 1 27 ARG H . . 4.473 2.634 2.101 3.671 . 0 0 "[ . 1 . 2 ]" 2
6 1 24 GLU QB 1 28 PHE H . . 6.312 4.187 2.581 5.538 . 0 0 "[ . 1 . 2 ]" 2
7 1 27 ARG QB 1 28 PHE H . . 5.323 2.642 2.027 3.709 . 0 0 "[ . 1 . 2 ]" 2
8 1 43 ALA HA 1 45 SER H . . 3.837 3.188 2.551 3.540 . 0 0 "[ . 1 . 2 ]" 2
9 1 46 ILE MD 1 47 MET H . . 4.843 1.642 1.502 1.794 . 0 0 "[ . 1 . 2 ]" 2
10 1 18 ALA MB 1 50 MET H . . 5.899 3.720 2.787 4.465 . 0 0 "[ . 1 . 2 ]" 2
11 1 7 VAL QG 1 58 THR H . . 5.794 2.988 2.472 3.664 . 0 0 "[ . 1 . 2 ]" 2
12 1 9 LEU HA 1 10 LYS H . . 3.892 2.362 2.222 2.535 . 0 0 "[ . 1 . 2 ]" 2
13 1 14 GLN H 1 15 ALA HA . . 6.139 4.655 4.374 5.023 . 0 0 "[ . 1 . 2 ]" 2
14 1 15 ALA HA 1 16 ARG H . . 5.900 3.024 2.268 3.211 . 0 0 "[ . 1 . 2 ]" 2
15 1 11 THR HA 1 56 THR H . . 5.570 2.786 2.523 3.119 . 0 0 "[ . 1 . 2 ]" 2
16 1 20 LEU H 1 23 GLN H . . 4.309 2.795 2.678 2.915 . 0 0 "[ . 1 . 2 ]" 2
17 1 18 ALA H 1 20 LEU H . . 5.808 3.939 3.544 4.245 . 0 0 "[ . 1 . 2 ]" 2
18 1 19 ALA H 1 20 LEU HB2 . . 8.845 4.467 4.187 4.852 . 0 0 "[ . 1 . 2 ]" 2
19 1 25 ALA H 1 44 LYS HA . . 5.776 4.581 4.297 4.888 . 0 0 "[ . 1 . 2 ]" 2
20 1 26 ASN H 1 27 ARG QB . . 6.370 4.268 3.731 4.670 . 0 0 "[ . 1 . 2 ]" 2
21 1 15 ALA HA 1 18 ALA H . . 5.194 3.660 3.424 4.272 . 0 0 "[ . 1 . 2 ]" 2
22 1 51 SER H 1 51 SER HB3 . . 3.942 3.664 3.610 3.720 . 0 0 "[ . 1 . 2 ]" 2
23 1 48 GLY QA 1 51 SER H . . 4.840 4.001 3.647 4.092 . 0 0 "[ . 1 . 2 ]" 2
24 1 47 MET HB2 1 51 SER H . . 6.571 3.741 2.688 4.003 . 0 0 "[ . 1 . 2 ]" 2
25 1 48 GLY QA 1 52 LEU H . . 4.769 3.155 2.674 3.431 . 0 0 "[ . 1 . 2 ]" 2
26 1 18 ALA MB 1 55 SER H . . 6.338 4.300 4.195 4.747 . 0 0 "[ . 1 . 2 ]" 2
27 1 10 LYS H 1 81 GLN HA . . 4.344 2.071 1.766 2.338 . 0 0 "[ . 1 . 2 ]" 2
28 1 11 THR H 1 80 VAL HA . . 5.832 3.470 2.944 4.444 . 0 0 "[ . 1 . 2 ]" 2
29 1 9 LEU HA 1 11 THR H . . 5.049 3.317 3.010 3.664 . 0 0 "[ . 1 . 2 ]" 2
30 1 8 ARG QG 1 11 THR H . . 4.609 3.224 2.396 4.337 . 0 0 "[ . 1 . 2 ]" 2
31 1 11 THR H 1 56 THR MG . . 6.399 3.655 3.287 3.886 . 0 0 "[ . 1 . 2 ]" 2
32 1 7 VAL QG 1 11 THR H . . 4.833 2.892 1.893 3.226 . 0 0 "[ . 1 . 2 ]" 2
33 1 12 GLY HA2 1 14 GLN H . . 5.369 5.004 4.529 5.781 0.412 12 0 "[ . 1 . 2 ]" 2
34 1 24 GLU HA 1 28 PHE H . . 4.470 3.128 2.986 3.302 . 0 0 "[ . 1 . 2 ]" 2
35 1 25 ALA HA 1 29 THR H . . 6.336 5.374 4.790 5.772 . 0 0 "[ . 1 . 2 ]" 2
36 1 22 VAL QG 1 46 ILE H . . 7.673 4.140 3.791 4.498 . 0 0 "[ . 1 . 2 ]" 2
37 1 46 ILE HA 1 47 MET H . . 4.815 3.472 3.439 3.492 . 0 0 "[ . 1 . 2 ]" 2
38 1 9 LEU H 1 34 LEU QD . . 6.407 2.894 2.339 3.509 . 0 0 "[ . 1 . 2 ]" 2
39 1 10 LYS HA 1 12 GLY H . . 4.697 2.982 2.220 3.551 . 0 0 "[ . 1 . 2 ]" 2
40 1 14 GLN H 1 18 ALA H . . 6.844 3.462 2.900 3.970 . 0 0 "[ . 1 . 2 ]" 2
41 1 19 ALA H 1 20 LEU H . . 4.097 2.444 2.229 2.769 . 0 0 "[ . 1 . 2 ]" 2
42 1 25 ALA H 1 27 ARG QB . . 6.266 4.224 3.851 4.664 . 0 0 "[ . 1 . 2 ]" 2
43 1 24 GLU QB 1 26 ASN H . . 5.778 4.146 3.849 4.949 . 0 0 "[ . 1 . 2 ]" 2
44 1 30 SER H 1 67 GLU QG . . 6.768 4.615 2.376 5.345 . 0 0 "[ . 1 . 2 ]" 2
45 1 27 ARG QB 1 30 SER H . . 8.505 4.390 3.846 4.699 . 0 0 "[ . 1 . 2 ]" 2
46 1 42 ASN H 1 43 ALA HA . . 6.660 4.623 3.690 5.095 . 0 0 "[ . 1 . 2 ]" 2
47 1 34 LEU H 1 43 ALA H . . 4.849 3.204 3.024 3.417 . 0 0 "[ . 1 . 2 ]" 2
48 1 22 VAL QG 1 45 SER H . . 5.390 3.619 3.323 3.973 . 0 0 "[ . 1 . 2 ]" 2
49 1 47 MET HB2 1 49 LEU H . . 8.091 5.093 4.695 5.968 . 0 0 "[ . 1 . 2 ]" 2
50 1 18 ALA MB 1 49 LEU H . . 7.344 5.053 4.589 5.408 . 0 0 "[ . 1 . 2 ]" 2
51 1 50 MET H 1 51 SER QB . . 6.111 4.827 4.480 5.033 . 0 0 "[ . 1 . 2 ]" 2
52 1 47 MET ME 1 50 MET H . . 6.129 4.487 4.281 4.613 . 0 0 "[ . 1 . 2 ]" 2
53 1 49 LEU HB2 1 51 SER H . . 5.456 4.591 4.359 4.870 . 0 0 "[ . 1 . 2 ]" 2
54 1 51 SER QB 1 55 SER H . . 8.206 6.574 6.013 7.407 . 0 0 "[ . 1 . 2 ]" 2
55 1 20 LEU H 1 21 PHE QD . . 5.231 2.695 2.022 3.861 . 0 0 "[ . 1 . 2 ]" 2
56 1 20 LEU H 1 21 PHE H . . 4.095 2.496 2.341 2.664 . 0 0 "[ . 1 . 2 ]" 2
57 1 19 ALA HA 1 20 LEU H . . 3.898 3.056 2.687 3.355 . 0 0 "[ . 1 . 2 ]" 2
58 1 20 LEU H 1 21 PHE HA . . 4.830 3.541 3.496 3.596 . 0 0 "[ . 1 . 2 ]" 2
59 1 20 LEU H 1 21 PHE HB3 . . 4.535 2.285 1.841 3.310 . 0 0 "[ . 1 . 2 ]" 2
60 1 20 LEU H 1 21 PHE HB2 . . 4.718 3.306 1.905 3.737 . 0 0 "[ . 1 . 2 ]" 2
61 1 20 LEU H 1 20 LEU HB2 . . 3.717 2.266 2.085 2.432 . 0 0 "[ . 1 . 2 ]" 2
62 1 19 ALA MB 1 20 LEU H . . 3.645 2.517 2.227 2.723 . 0 0 "[ . 1 . 2 ]" 2
63 1 21 PHE HB2 1 23 GLN H . . 7.831 5.135 4.365 5.646 . 0 0 "[ . 1 . 2 ]" 2
64 1 22 VAL HB 1 23 GLN H . . 3.492 2.187 1.853 2.596 . 0 0 "[ . 1 . 2 ]" 2
65 1 23 GLN QB 1 24 GLU H . . 3.993 2.651 2.071 3.339 . 0 0 "[ . 1 . 2 ]" 2
66 1 7 VAL QG 1 57 GLY H . . 5.655 3.704 3.555 3.847 . 0 0 "[ . 1 . 2 ]" 2
67 1 66 GLY H 1 69 GLU QB . . 5.086 2.026 1.519 2.836 . 0 0 "[ . 1 . 2 ]" 2
68 1 26 ASN HD22 1 75 LYS H . . 6.035 4.151 3.559 4.624 . 0 0 "[ . 1 . 2 ]" 2
69 1 50 MET HA 1 54 VAL H . . 7.032 3.592 3.392 4.239 . 0 0 "[ . 1 . 2 ]" 2
70 1 28 PHE H 1 72 ALA H . . 5.552 4.858 4.792 4.929 . 0 0 "[ . 1 . 2 ]" 2
71 1 31 ASP H 1 33 PHE QE . . 5.820 4.834 4.305 4.944 . 0 0 "[ . 1 . 2 ]" 2
72 1 26 ASN HD22 1 72 ALA H . . 6.517 3.478 2.486 3.964 . 0 0 "[ . 1 . 2 ]" 2
73 1 26 ASN HD22 1 76 LEU H . . 6.517 4.020 2.715 4.997 . 0 0 "[ . 1 . 2 ]" 2
74 1 26 ASN HD22 1 27 ARG H . . 6.083 4.379 3.896 4.969 . 0 0 "[ . 1 . 2 ]" 2
75 1 68 ASP HB2 1 69 GLU H . . 4.462 3.114 1.744 3.937 . 0 0 "[ . 1 . 2 ]" 2
76 1 17 PRO HG2 1 19 ALA H . . 5.190 4.101 3.677 4.446 . 0 0 "[ . 1 . 2 ]" 2
77 1 21 PHE QE 1 25 ALA H . . 5.919 4.687 4.088 4.951 . 0 0 "[ . 1 . 2 ]" 2
78 1 35 GLU HB3 1 40 LYS H . . 4.336 2.566 2.187 2.908 . 0 0 "[ . 1 . 2 ]" 2
79 1 21 PHE QD 1 25 ALA H . . 6.433 3.876 3.029 4.774 . 0 0 "[ . 1 . 2 ]" 2
80 1 25 ALA MB 1 27 ARG H . . 5.734 4.287 4.227 4.320 . 0 0 "[ . 1 . 2 ]" 2
81 1 51 SER HB2 1 52 LEU H . . 4.921 2.056 1.920 2.179 . 0 0 "[ . 1 . 2 ]" 2
82 1 32 VAL QG 1 42 ASN H . . 6.182 3.466 3.160 3.879 . 0 0 "[ . 1 . 2 ]" 2
83 1 76 LEU HB2 1 79 TYR H . . 5.861 5.273 3.908 5.383 . 0 0 "[ . 1 . 2 ]" 2
84 1 18 ALA HA 1 21 PHE H . . 4.138 3.253 2.379 3.683 . 0 0 "[ . 1 . 2 ]" 2
85 1 21 PHE HB2 1 24 GLU H . . 6.905 4.379 2.991 5.603 . 0 0 "[ . 1 . 2 ]" 2
86 1 81 GLN HA 1 84 VAL H . . 3.677 3.128 2.007 3.372 . 0 0 "[ . 1 . 2 ]" 2
87 1 27 ARG QB 1 29 THR H . . 6.390 4.855 4.248 5.031 . 0 0 "[ . 1 . 2 ]" 2
88 1 81 GLN QB 1 83 GLU H . . 4.218 3.262 2.505 3.823 . 0 0 "[ . 1 . 2 ]" 2
89 1 2 GLN HB2 1 3 GLN H . . 4.647 3.313 2.113 4.412 . 0 0 "[ . 1 . 2 ]" 2
90 1 4 LYS H 1 61 THR MG . . 4.548 3.597 3.540 3.654 . 0 0 "[ . 1 . 2 ]" 2
91 1 8 ARG H 1 9 LEU HA . . 5.937 5.112 4.867 5.332 . 0 0 "[ . 1 . 2 ]" 2
92 1 8 ARG QB 1 9 LEU H . . 4.255 2.585 2.238 3.251 . 0 0 "[ . 1 . 2 ]" 2
93 1 9 LEU HA 1 12 GLY H . . 5.546 2.918 2.586 3.386 . 0 0 "[ . 1 . 2 ]" 2
94 1 9 LEU HG 1 12 GLY H . . 4.807 2.642 1.766 3.506 . 0 0 "[ . 1 . 2 ]" 2
95 1 18 ALA H 1 20 LEU MD2 . . 6.479 4.110 3.680 4.506 . 0 0 "[ . 1 . 2 ]" 2
96 1 19 ALA H 1 20 LEU MD2 . . 5.388 3.326 2.687 3.647 . 0 0 "[ . 1 . 2 ]" 2
97 1 20 LEU H 1 23 GLN HE21 . . 7.738 5.304 4.514 6.943 . 0 0 "[ . 1 . 2 ]" 2
98 1 20 LEU H 1 21 PHE QE . . 9.257 4.556 3.942 5.123 . 0 0 "[ . 1 . 2 ]" 2
99 1 12 GLY HA2 1 20 LEU H . . 4.865 3.272 2.872 3.622 . 0 0 "[ . 1 . 2 ]" 2
100 1 18 ALA MB 1 20 LEU H . . 4.981 3.762 3.593 3.817 . 0 0 "[ . 1 . 2 ]" 2
101 1 32 VAL H 1 33 PHE QD . . 8.692 3.325 2.498 5.144 . 0 0 "[ . 1 . 2 ]" 2
102 1 33 PHE QD 1 34 LEU H . . 6.267 3.596 3.202 4.151 . 0 0 "[ . 1 . 2 ]" 2
103 1 36 LYS H 1 58 THR HB . . 6.205 5.491 5.200 5.613 . 0 0 "[ . 1 . 2 ]" 2
104 1 33 PHE QD 1 41 VAL H . . 8.063 3.860 3.131 4.972 . 0 0 "[ . 1 . 2 ]" 2
105 1 32 VAL QG 1 45 SER H . . 7.250 4.496 3.737 4.865 . 0 0 "[ . 1 . 2 ]" 2
106 1 21 PHE HB2 1 49 LEU H . . 8.828 5.936 4.832 7.192 . 0 0 "[ . 1 . 2 ]" 2
107 1 34 LEU MD2 1 53 ALA H . . 7.121 2.953 2.135 4.152 . 0 0 "[ . 1 . 2 ]" 2
108 1 7 VAL HA 1 60 VAL H . . 7.594 3.974 3.612 4.416 . 0 0 "[ . 1 . 2 ]" 2
109 1 58 THR HB 1 60 VAL H . . 6.476 4.318 3.809 5.540 . 0 0 "[ . 1 . 2 ]" 2
110 1 33 PHE QD 1 63 ILE H . . 8.035 4.711 4.253 5.303 . 0 0 "[ . 1 . 2 ]" 2
111 1 33 PHE QD 1 64 ALA H . . 7.577 4.635 4.126 5.347 . 0 0 "[ . 1 . 2 ]" 2
112 1 5 VAL H 1 33 PHE QE . . 7.016 4.193 3.515 4.825 . 0 0 "[ . 1 . 2 ]" 2
113 1 5 VAL H 1 33 PHE QD . . 7.679 4.110 3.633 4.989 . 0 0 "[ . 1 . 2 ]" 2
114 1 4 LYS HA 1 5 VAL H . . 3.943 1.925 1.760 2.046 . 0 0 "[ . 1 . 2 ]" 2
115 1 68 ASP HB2 1 70 GLN H . . 4.730 2.921 1.428 3.967 . 0 0 "[ . 1 . 2 ]" 2
116 1 69 GLU QB 1 70 GLN H . . 4.449 2.285 1.757 3.244 . 0 0 "[ . 1 . 2 ]" 2
117 1 28 PHE QR 1 71 GLU H . . 6.480 5.052 4.428 5.208 . 0 0 "[ . 1 . 2 ]" 2
118 1 70 GLN QB 1 71 GLU H . . 3.426 1.965 1.763 2.225 . 0 0 "[ . 1 . 2 ]" 2
119 1 69 GLU QB 1 72 ALA H . . 5.364 4.450 4.403 4.488 . 0 0 "[ . 1 . 2 ]" 2
120 1 71 GLU H 1 73 LEU H . . 5.065 3.925 3.630 4.053 . 0 0 "[ . 1 . 2 ]" 2
121 1 4 LYS HA 1 73 LEU H . . 7.331 4.048 3.891 4.349 . 0 0 "[ . 1 . 2 ]" 2
122 1 73 LEU H 1 73 LEU HB3 . . 3.593 2.396 1.991 2.642 . 0 0 "[ . 1 . 2 ]" 2
123 1 73 LEU H 1 73 LEU HB2 . . 3.598 3.246 3.164 3.321 . 0 0 "[ . 1 . 2 ]" 2
124 1 64 ALA MB 1 73 LEU H . . 4.943 1.886 1.713 2.144 . 0 0 "[ . 1 . 2 ]" 2
125 1 73 LEU H 1 73 LEU QD . . 4.504 2.092 1.388 2.288 . 0 0 "[ . 1 . 2 ]" 2
126 1 72 ALA MB 1 73 LEU H . . 4.112 2.113 1.917 2.283 . 0 0 "[ . 1 . 2 ]" 2
127 1 24 GLU HA 1 76 LEU H . . 5.307 4.257 4.032 4.386 . 0 0 "[ . 1 . 2 ]" 2
128 1 76 LEU H 1 76 LEU HB2 . . 3.600 2.140 1.847 2.492 . 0 0 "[ . 1 . 2 ]" 2
129 1 74 GLU HB2 1 77 ALA H . . 6.614 5.281 5.046 5.490 . 0 0 "[ . 1 . 2 ]" 2
130 1 73 LEU HG 1 77 ALA H . . 5.641 4.222 4.107 4.354 . 0 0 "[ . 1 . 2 ]" 2
131 1 7 VAL QG 1 77 ALA H . . 5.665 3.704 3.526 3.796 . 0 0 "[ . 1 . 2 ]" 2
132 1 74 GLU QB 1 78 ALA H . . 6.878 4.477 4.354 4.578 . 0 0 "[ . 1 . 2 ]" 2
133 1 21 PHE QD 1 79 TYR H . . 5.305 3.989 3.821 4.088 . 0 0 "[ . 1 . 2 ]" 2
134 1 76 LEU HB3 1 79 TYR H . . 5.513 4.428 4.336 4.503 . 0 0 "[ . 1 . 2 ]" 2
135 1 21 PHE QD 1 80 VAL H . . 5.765 3.283 2.376 3.973 . 0 0 "[ . 1 . 2 ]" 2
136 1 7 VAL QG 1 80 VAL H . . 6.311 3.594 3.120 3.884 . 0 0 "[ . 1 . 2 ]" 2
137 1 10 LYS HB3 1 81 GLN H . . 6.344 3.995 3.577 4.342 . 0 0 "[ . 1 . 2 ]" 2
138 1 10 LYS HG2 1 83 GLU H . . 3.972 3.023 2.618 3.420 . 0 0 "[ . 1 . 2 ]" 2
139 1 10 LYS HG3 1 84 VAL H . . 4.053 2.889 2.228 3.404 . 0 0 "[ . 1 . 2 ]" 2
140 1 10 LYS HB2 1 84 VAL H . . 4.378 2.292 1.748 3.967 . 0 0 "[ . 1 . 2 ]" 2
141 1 2 GLN HA 1 32 VAL H . . 4.040 2.238 2.108 2.388 . 0 0 "[ . 1 . 2 ]" 2
142 1 7 VAL QG 1 8 ARG H . . 4.896 2.960 1.953 3.259 . 0 0 "[ . 1 . 2 ]" 2
143 1 49 LEU H 1 49 LEU HB2 . . 4.236 2.186 1.875 2.832 . 0 0 "[ . 1 . 2 ]" 2
144 1 5 VAL H 1 6 GLU HA . . 3.350 2.590 2.290 2.873 . 0 0 "[ . 1 . 2 ]" 2
145 1 10 LYS QE 1 11 THR HA . . 4.322 3.610 2.652 3.938 . 0 0 "[ . 1 . 2 ]" 2
146 1 10 LYS HG3 1 11 THR HA . . 3.931 3.734 2.988 4.817 0.886 5 2 "[ + 1 - . 2 ]" 2
147 1 23 GLN HA 1 26 ASN QB . . 3.933 2.106 1.327 2.742 . 0 0 "[ . 1 . 2 ]" 2
148 1 24 GLU HA 1 27 ARG QD . . 3.888 2.261 1.340 3.125 . 0 0 "[ . 1 . 2 ]" 2
149 1 18 ALA HA 1 21 PHE HB3 . . 3.973 2.688 1.674 3.593 . 0 0 "[ . 1 . 2 ]" 2
150 1 13 LEU HG 1 54 VAL HA . . 6.399 3.682 3.379 4.198 . 0 0 "[ . 1 . 2 ]" 2
151 1 4 LYS HA 1 61 THR MG . . 5.021 2.963 2.722 3.386 . 0 0 "[ . 1 . 2 ]" 2
152 1 13 LEU HA 1 17 PRO HB3 . . 5.338 5.260 4.014 5.814 0.476 11 0 "[ . 1 . 2 ]" 2
153 1 18 ALA HA 1 21 PHE HB2 . . 4.624 3.070 2.001 3.608 . 0 0 "[ . 1 . 2 ]" 2
154 1 46 ILE MD 1 47 MET HA . . 4.607 2.177 1.801 2.920 . 0 0 "[ . 1 . 2 ]" 2
155 1 48 GLY QA 1 52 LEU MD2 . . 4.518 3.239 2.988 3.736 . 0 0 "[ . 1 . 2 ]" 2
156 1 13 LEU HB3 1 50 MET HA . . 3.923 3.315 3.220 3.571 . 0 0 "[ . 1 . 2 ]" 2
157 1 34 LEU MD1 1 61 THR HA . . 6.677 3.709 3.301 4.349 . 0 0 "[ . 1 . 2 ]" 2
158 1 2 GLN HG2 1 64 ALA HA . . 5.303 4.425 3.837 4.794 . 0 0 "[ . 1 . 2 ]" 2
159 1 32 VAL QG 1 64 ALA HA . . 4.237 2.040 1.669 2.412 . 0 0 "[ . 1 . 2 ]" 2
160 1 65 GLN QG 1 66 GLY HA2 . . 4.743 3.631 3.324 4.055 . 0 0 "[ . 1 . 2 ]" 2
161 1 67 GLU QG 1 68 ASP HA . . 4.771 3.826 3.284 3.896 . 0 0 "[ . 1 . 2 ]" 2
162 1 28 PHE QR 1 72 ALA HA . . 3.898 1.989 1.420 2.530 . 0 0 "[ . 1 . 2 ]" 2
163 1 72 ALA MB 1 73 LEU HA . . 5.915 3.681 3.561 3.815 . 0 0 "[ . 1 . 2 ]" 2
164 1 21 PHE QE 1 76 LEU HA . . 5.030 3.520 2.947 4.068 . 0 0 "[ . 1 . 2 ]" 2
165 1 21 PHE HB3 1 76 LEU HA . . 4.735 3.408 2.662 4.103 . 0 0 "[ . 1 . 2 ]" 2
166 1 79 TYR HA 1 81 GLN QB . . 5.936 3.073 1.982 4.739 . 0 0 "[ . 1 . 2 ]" 2
167 1 10 LYS QE 1 81 GLN HA . . 4.883 2.512 2.068 2.988 . 0 0 "[ . 1 . 2 ]" 2
168 1 1 VAL MG2 1 67 GLU HA . . 6.785 4.656 3.258 6.352 . 0 0 "[ . 1 . 2 ]" 2
169 1 12 GLY H 1 13 LEU HA . . 5.584 4.678 4.166 5.044 . 0 0 "[ . 1 . 2 ]" 2
170 1 33 PHE QE 1 65 GLN HE21 . . 9.166 2.925 1.868 4.720 . 0 0 "[ . 1 . 2 ]" 2
171 1 7 VAL H 1 60 VAL HA . . 4.216 3.186 2.880 3.504 . 0 0 "[ . 1 . 2 ]" 2
172 1 75 LYS HG2 1 79 TYR HB3 . . 5.171 4.126 3.947 4.384 . 0 0 "[ . 1 . 2 ]" 2
173 1 75 LYS HG2 1 79 TYR HB2 . . 4.680 3.446 3.343 3.687 . 0 0 "[ . 1 . 2 ]" 2
174 1 42 ASN HB2 1 45 SER HB2 . . 5.446 3.325 1.495 4.510 . 0 0 "[ . 1 . 2 ]" 2
175 1 42 ASN HB2 1 43 ALA HA . . 7.886 4.218 1.887 5.269 . 0 0 "[ . 1 . 2 ]" 2
176 1 42 ASN HB3 1 43 ALA HA . . 7.535 3.362 2.218 5.091 . 0 0 "[ . 1 . 2 ]" 2
177 1 33 PHE HB3 1 40 LYS HG2 . . 4.929 1.953 1.639 2.437 . 0 0 "[ . 1 . 2 ]" 2
178 1 7 VAL QG 1 81 GLN QG . . 4.630 2.751 1.986 3.073 . 0 0 "[ . 1 . 2 ]" 2
179 1 46 ILE MD 1 50 MET HB3 . . 6.139 2.735 1.975 3.921 . 0 0 "[ . 1 . 2 ]" 2
180 1 2 GLN HG3 1 63 ILE MG . . 4.310 2.035 1.742 2.994 . 0 0 "[ . 1 . 2 ]" 2
181 1 28 PHE QR 1 71 GLU QG . . 4.779 2.024 1.483 2.562 . 0 0 "[ . 1 . 2 ]" 2
182 1 73 LEU HG 1 74 GLU HG3 . . 4.734 4.041 2.951 4.719 . 0 0 "[ . 1 . 2 ]" 2
183 1 22 VAL HA 1 76 LEU HB2 . . 5.176 2.957 2.514 3.794 . 0 0 "[ . 1 . 2 ]" 2
184 1 35 GLU HB3 1 60 VAL MG2 . . 5.838 4.205 3.931 4.609 . 0 0 "[ . 1 . 2 ]" 2
185 1 2 GLN HB2 1 63 ILE HG12 . . 7.064 2.384 1.992 2.933 . 0 0 "[ . 1 . 2 ]" 2
186 1 13 LEU QD 1 21 PHE HB2 . . 7.096 2.895 1.784 3.838 . 0 0 "[ . 1 . 2 ]" 2
187 1 2 GLN HB3 1 63 ILE MD . . 5.411 3.254 1.877 4.491 . 0 0 "[ . 1 . 2 ]" 2
188 1 15 ALA MB 1 17 PRO HD2 . . 6.633 3.651 2.966 4.070 . 0 0 "[ . 1 . 2 ]" 2
189 1 67 GLU QB 1 69 GLU H . . 4.688 3.353 2.138 4.035 . 0 0 "[ . 1 . 2 ]" 2
190 1 26 ASN HD22 1 44 LYS QG . . 8.983 3.708 3.465 4.127 . 0 0 "[ . 1 . 2 ]" 2
191 1 3 GLN QB 1 4 LYS H . . 4.060 2.623 1.897 3.413 . 0 0 "[ . 1 . 2 ]" 2
192 1 30 SER HG 1 63 ILE MD . . 6.159 3.909 3.690 4.119 . 0 0 "[ . 1 . 2 ]" 2
193 1 10 LYS QE 1 81 GLN QB . . 5.168 4.075 3.857 4.209 . 0 0 "[ . 1 . 2 ]" 2
194 1 32 VAL QG 1 33 PHE HA . . 4.892 3.431 3.300 3.610 . 0 0 "[ . 1 . 2 ]" 2
195 1 35 GLU HG3 1 38 GLY H . . 4.928 4.016 3.928 4.132 . 0 0 "[ . 1 . 2 ]" 2
196 1 21 PHE H 1 23 GLN HE21 . . 6.168 2.835 2.049 4.756 . 0 0 "[ . 1 . 2 ]" 2
197 1 22 VAL HB 1 26 ASN H . . 5.656 2.879 2.497 3.515 . 0 0 "[ . 1 . 2 ]" 2
198 1 8 ARG QG 1 12 GLY H . . 6.784 5.383 4.885 5.929 . 0 0 "[ . 1 . 2 ]" 2
199 1 32 VAL QG 1 68 ASP H . . 7.506 4.987 4.743 5.061 . 0 0 "[ . 1 . 2 ]" 2
200 1 11 THR MG 1 21 PHE H . . 5.171 3.822 3.417 3.977 . 0 0 "[ . 1 . 2 ]" 2
201 1 78 ALA HA 1 81 GLN H . . 4.710 3.284 3.211 3.337 . 0 0 "[ . 1 . 2 ]" 2
202 1 56 THR HA 1 58 THR H . . 5.136 3.118 3.007 3.163 . 0 0 "[ . 1 . 2 ]" 2
203 1 6 GLU HA 1 6 GLU HG3 . . 4.356 3.193 2.277 4.266 . 0 0 "[ . 1 . 2 ]" 2
204 1 6 GLU HA 1 7 VAL QG . . 3.731 2.749 2.618 2.819 . 0 0 "[ . 1 . 2 ]" 2
205 1 9 LEU QD 1 12 GLY HA3 . . 3.973 3.367 3.209 3.491 . 0 0 "[ . 1 . 2 ]" 2
206 1 13 LEU HA 1 18 ALA HA . . 4.777 2.585 1.688 3.876 . 0 0 "[ . 1 . 2 ]" 2
207 1 13 LEU QD 1 18 ALA HA . . 5.472 1.680 0.988 2.589 . 0 0 "[ . 1 . 2 ]" 2
208 1 20 LEU MD2 1 23 GLN QB . . 6.217 2.982 2.492 3.638 . 0 0 "[ . 1 . 2 ]" 2
209 1 22 VAL HA 1 25 ALA MB . . 4.660 2.470 2.164 2.902 . 0 0 "[ . 1 . 2 ]" 2
210 1 41 VAL HA 1 42 ASN HB2 . . 6.763 4.421 4.121 4.642 . 0 0 "[ . 1 . 2 ]" 2
211 1 33 PHE HB2 1 43 ALA HA . . 5.867 5.140 4.848 5.549 . 0 0 "[ . 1 . 2 ]" 2
212 1 43 ALA H 1 45 SER H . . 5.176 3.787 3.649 3.990 . 0 0 "[ . 1 . 2 ]" 2
213 1 26 ASN HD21 1 43 ALA H . . 6.354 4.083 3.860 4.399 . 0 0 "[ . 1 . 2 ]" 2
214 1 22 VAL HB 1 45 SER H . . 6.089 3.690 3.378 3.845 . 0 0 "[ . 1 . 2 ]" 2
215 1 41 VAL HA 1 42 ASN H . . 3.750 2.466 2.313 2.569 . 0 0 "[ . 1 . 2 ]" 2
216 1 31 ASP HA 1 44 LYS H . . 4.945 3.683 3.470 4.419 . 0 0 "[ . 1 . 2 ]" 2
217 1 44 LYS H 1 45 SER HB2 . . 5.897 3.938 2.868 4.174 . 0 0 "[ . 1 . 2 ]" 2
218 1 34 LEU HB3 1 41 VAL HB . . 5.035 4.117 3.464 4.625 . 0 0 "[ . 1 . 2 ]" 2
219 1 31 ASP QB 1 32 VAL H . . 4.347 3.913 3.797 3.974 . 0 0 "[ . 1 . 2 ]" 2
220 1 8 ARG H 1 10 LYS QE . . 7.134 6.323 5.891 6.460 . 0 0 "[ . 1 . 2 ]" 2
221 1 32 VAL HB 1 44 LYS H . . 6.275 3.368 2.443 5.226 . 0 0 "[ . 1 . 2 ]" 2
222 1 32 VAL QG 1 44 LYS H . . 6.407 2.734 1.732 3.669 . 0 0 "[ . 1 . 2 ]" 2
223 1 36 LYS HG2 1 37 ASP HB2 . . 4.798 3.432 2.941 3.536 . 0 0 "[ . 1 . 2 ]" 2
224 1 39 LYS QB 1 41 VAL MG1 . . 4.478 2.879 1.532 4.262 . 0 0 "[ . 1 . 2 ]" 2
225 1 33 PHE HA 1 40 LYS HD3 . . 4.497 2.442 2.277 2.626 . 0 0 "[ . 1 . 2 ]" 2
226 1 36 LYS HB3 1 39 LYS H . . 3.651 2.438 2.207 2.589 . 0 0 "[ . 1 . 2 ]" 2
227 1 35 GLU HG3 1 40 LYS H . . 4.654 3.749 3.650 3.803 . 0 0 "[ . 1 . 2 ]" 2
228 1 36 LYS H 1 52 LEU QD . . 5.608 2.690 1.968 3.201 . 0 0 "[ . 1 . 2 ]" 2
229 1 34 LEU MD2 1 36 LYS H . . 6.450 4.170 2.994 4.665 . 0 0 "[ . 1 . 2 ]" 2
230 1 42 ASN H 1 45 SER HB2 . . 5.421 3.512 2.696 4.132 . 0 0 "[ . 1 . 2 ]" 2
231 1 40 LYS HG2 1 41 VAL MG2 . . 5.564 2.914 2.410 3.317 . 0 0 "[ . 1 . 2 ]" 2
232 1 41 VAL MG1 1 44 LYS QG . . 6.765 2.779 1.170 3.856 . 0 0 "[ . 1 . 2 ]" 2
233 1 33 PHE HB3 1 40 LYS HB2 . . 4.253 2.910 2.414 3.390 . 0 0 "[ . 1 . 2 ]" 2
234 1 4 LYS HD2 1 6 GLU H . . 4.276 3.454 2.955 4.072 . 0 0 "[ . 1 . 2 ]" 2
235 1 4 LYS HD3 1 6 GLU H . . 5.260 3.667 1.944 4.047 . 0 0 "[ . 1 . 2 ]" 2
236 1 26 ASN HA 1 30 SER HB2 . . 4.586 1.814 1.278 3.439 . 0 0 "[ . 1 . 2 ]" 2
237 1 4 LYS HA 1 73 LEU HB2 . . 4.281 2.026 1.708 2.592 . 0 0 "[ . 1 . 2 ]" 2
238 1 29 THR H 1 30 SER HB2 . . 6.399 4.352 3.313 5.037 . 0 0 "[ . 1 . 2 ]" 2
239 1 5 VAL H 1 6 GLU H . . 4.620 3.919 3.772 4.137 . 0 0 "[ . 1 . 2 ]" 2
240 1 32 VAL QG 1 43 ALA HA . . 4.790 3.536 2.876 3.898 . 0 0 "[ . 1 . 2 ]" 2
241 1 30 SER HB2 1 32 VAL H . . 5.138 2.514 1.993 3.673 . 0 0 "[ . 1 . 2 ]" 2
242 1 4 LYS HB2 1 64 ALA H . . 5.371 3.901 3.664 4.155 . 0 0 "[ . 1 . 2 ]" 2
243 1 30 SER HG 1 69 GLU H . . 5.645 3.379 2.628 3.898 . 0 0 "[ . 1 . 2 ]" 2
244 1 41 VAL MG1 1 47 MET HB2 . . 5.200 4.234 3.141 6.167 0.967 15 1 "[ . 1 + 2 ]" 2
245 1 65 GLN QB 1 66 GLY H . . 5.305 3.534 2.969 3.838 . 0 0 "[ . 1 . 2 ]" 2
246 1 28 PHE H 1 30 SER HB2 . . 6.720 4.547 3.903 5.195 . 0 0 "[ . 1 . 2 ]" 2
247 1 13 LEU QD 1 20 LEU H . . 6.774 3.142 2.651 3.848 . 0 0 "[ . 1 . 2 ]" 2
248 1 13 LEU QD 1 21 PHE HB2 . . 6.568 2.897 1.784 3.845 . 0 0 "[ . 1 . 2 ]" 2
249 1 13 LEU QD 1 18 ALA MB . . 6.149 1.918 1.378 2.935 . 0 0 "[ . 1 . 2 ]" 2
250 1 66 GLY H 1 68 ASP HB2 . . 6.571 3.755 2.885 4.732 . 0 0 "[ . 1 . 2 ]" 2
251 1 6 GLU H 1 7 VAL QG . . 6.257 4.036 3.802 4.184 . 0 0 "[ . 1 . 2 ]" 2
252 1 14 GLN H 1 17 PRO HG2 . . 4.666 3.299 2.107 3.866 . 0 0 "[ . 1 . 2 ]" 2
253 1 30 SER HG 1 31 ASP H . . 4.796 4.289 4.104 4.383 . 0 0 "[ . 1 . 2 ]" 2
254 1 4 LYS HA 1 33 PHE H . . 5.213 3.363 3.081 3.624 . 0 0 "[ . 1 . 2 ]" 2
255 1 30 SER HG 1 66 GLY H . . 6.305 3.270 2.816 3.878 . 0 0 "[ . 1 . 2 ]" 2
256 1 30 SER HG 1 32 VAL H . . 5.870 3.904 3.537 4.351 . 0 0 "[ . 1 . 2 ]" 2
257 1 30 SER HG 1 67 GLU H . . 5.837 4.252 3.508 4.691 . 0 0 "[ . 1 . 2 ]" 2
258 1 30 SER HG 1 68 ASP H . . 3.925 2.426 1.988 2.746 . 0 0 "[ . 1 . 2 ]" 2
259 1 30 SER HG 1 66 GLY HA2 . . 6.283 4.736 4.356 5.195 . 0 0 "[ . 1 . 2 ]" 2
260 1 30 SER HG 1 32 VAL QG . . 7.126 2.025 1.665 2.386 . 0 0 "[ . 1 . 2 ]" 2
261 1 47 MET ME 1 48 GLY H . . 5.161 3.692 2.049 3.994 . 0 0 "[ . 1 . 2 ]" 2
262 1 47 MET ME 1 51 SER H . . 5.649 3.977 3.439 4.440 . 0 0 "[ . 1 . 2 ]" 2
263 1 50 MET ME 1 51 SER H . . 4.974 2.955 1.983 3.706 . 0 0 "[ . 1 . 2 ]" 2
264 1 49 LEU H 1 50 MET ME . . 8.117 5.410 4.268 5.747 . 0 0 "[ . 1 . 2 ]" 2
265 1 47 MET HA 1 50 MET ME . . 3.998 3.057 2.934 3.102 . 0 0 "[ . 1 . 2 ]" 2
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