NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404741 |
1x4e   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4e
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 1692
_Distance_constraint_stats_list.Viol_count 172
_Distance_constraint_stats_list.Viol_total 13.532
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0039
_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 5 SER 0.003 0.003 8 0 "[ . 1 . 2]"
1 6 SER 0.029 0.006 13 0 "[ . 1 . 2]"
1 7 GLY 0.015 0.008 3 0 "[ . 1 . 2]"
1 8 LEU 0.020 0.007 17 0 "[ . 1 . 2]"
1 9 TYR 0.170 0.018 10 0 "[ . 1 . 2]"
1 10 ILE 0.167 0.018 10 0 "[ . 1 . 2]"
1 11 ARG 0.014 0.010 20 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 19 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.004 0.003 15 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.014 0.005 14 0 "[ . 1 . 2]"
1 21 ASP 0.006 0.003 3 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 10 0 "[ . 1 . 2]"
1 24 LYS 0.011 0.003 12 0 "[ . 1 . 2]"
1 25 LEU 0.019 0.004 3 0 "[ . 1 . 2]"
1 26 CYS 0.023 0.013 17 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 10 0 "[ . 1 . 2]"
1 28 PRO 0.002 0.001 12 0 "[ . 1 . 2]"
1 29 TYR 0.042 0.016 17 0 "[ . 1 . 2]"
1 30 GLY 0.050 0.014 17 0 "[ . 1 . 2]"
1 31 LYS 0.015 0.008 2 0 "[ . 1 . 2]"
1 32 ILE 0.008 0.004 6 0 "[ . 1 . 2]"
1 33 VAL 0.024 0.014 8 0 "[ . 1 . 2]"
1 34 SER 0.001 0.001 1 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.004 0.003 8 0 "[ . 1 . 2]"
1 37 ALA 0.004 0.003 15 0 "[ . 1 . 2]"
1 38 ILE 0.001 0.001 20 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.001 0.001 20 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.003 0.003 13 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 5 0 "[ . 1 . 2]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LYS 0.000 0.000 5 0 "[ . 1 . 2]"
1 46 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.001 0.001 20 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.020 0.008 5 0 "[ . 1 . 2]"
1 51 PHE 0.022 0.008 5 0 "[ . 1 . 2]"
1 52 VAL 0.001 0.001 8 0 "[ . 1 . 2]"
1 53 ASP 0.053 0.017 12 0 "[ . 1 . 2]"
1 54 PHE 0.039 0.017 12 0 "[ . 1 . 2]"
1 55 ASP 0.029 0.014 8 0 "[ . 1 . 2]"
1 56 SER 0.038 0.022 20 0 "[ . 1 . 2]"
1 57 PRO 0.030 0.008 20 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.104 0.022 20 0 "[ . 1 . 2]"
1 60 ALA 0.030 0.010 20 0 "[ . 1 . 2]"
1 61 GLN 0.004 0.002 20 0 "[ . 1 . 2]"
1 62 LYS 0.008 0.005 15 0 "[ . 1 . 2]"
1 63 ALA 0.003 0.003 20 0 "[ . 1 . 2]"
1 64 VAL 0.028 0.008 19 0 "[ . 1 . 2]"
1 65 THR 0.007 0.004 15 0 "[ . 1 . 2]"
1 66 ALA 0.003 0.002 15 0 "[ . 1 . 2]"
1 67 LEU 0.055 0.016 17 0 "[ . 1 . 2]"
1 68 LYS 0.062 0.012 15 0 "[ . 1 . 2]"
1 69 ALA 0.002 0.002 20 0 "[ . 1 . 2]"
1 70 SER 0.002 0.002 20 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.001 0.001 8 0 "[ . 1 . 2]"
1 73 GLN 0.015 0.010 20 0 "[ . 1 . 2]"
1 74 ALA 0.016 0.007 17 0 "[ . 1 . 2]"
1 75 GLN 0.003 0.002 6 0 "[ . 1 . 2]"
1 76 MET 0.034 0.010 16 0 "[ . 1 . 2]"
1 77 ALA 0.037 0.010 3 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLN 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 22 LEU MD1 1 37 ALA H . . 4.510 2.460 2.283 2.718 . 0 0 "[ . 1 . 2]" 1
2 1 36 LYS H 1 37 ALA H . . 4.270 3.987 3.843 4.117 . 0 0 "[ . 1 . 2]" 1
3 1 36 LYS QD 1 37 ALA H . . 4.550 2.876 2.572 3.115 . 0 0 "[ . 1 . 2]" 1
4 1 39 LEU H 1 39 LEU HG . . 3.220 2.395 2.275 2.599 . 0 0 "[ . 1 . 2]" 1
5 1 39 LEU H 1 39 LEU HB2 . . 3.210 2.819 2.599 2.983 . 0 0 "[ . 1 . 2]" 1
6 1 38 ILE MG 1 39 LEU H . . 3.550 2.854 2.648 3.130 . 0 0 "[ . 1 . 2]" 1
7 1 72 VAL HA 1 73 GLN H . . 2.900 2.219 2.175 2.292 . 0 0 "[ . 1 . 2]" 1
8 1 73 GLN H 1 73 GLN HG2 . . 3.870 3.038 2.639 3.537 . 0 0 "[ . 1 . 2]" 1
9 1 73 GLN H 1 73 GLN QB . . 3.220 2.380 2.272 2.460 . 0 0 "[ . 1 . 2]" 1
10 1 11 ARG HB2 1 73 GLN H . . 4.520 4.110 3.938 4.315 . 0 0 "[ . 1 . 2]" 1
11 1 72 VAL HB 1 73 GLN H . . 4.790 4.047 3.807 4.164 . 0 0 "[ . 1 . 2]" 1
12 1 72 VAL MG2 1 73 GLN H . . 3.350 2.236 2.026 2.471 . 0 0 "[ . 1 . 2]" 1
13 1 10 ILE MG 1 73 GLN H . . 4.640 4.056 3.836 4.269 . 0 0 "[ . 1 . 2]" 1
14 1 32 ILE H 1 32 ILE HG13 . . 3.610 2.620 2.468 2.774 . 0 0 "[ . 1 . 2]" 1
15 1 32 ILE H 1 32 ILE MG . . 3.980 3.819 3.792 3.850 . 0 0 "[ . 1 . 2]" 1
16 1 32 ILE H 1 32 ILE MD . . 4.420 3.982 3.763 4.102 . 0 0 "[ . 1 . 2]" 1
17 1 32 ILE H 1 32 ILE HB . . 3.090 2.573 2.520 2.643 . 0 0 "[ . 1 . 2]" 1
18 1 32 ILE H 1 32 ILE HG12 . . 3.890 3.636 3.350 3.811 . 0 0 "[ . 1 . 2]" 1
19 1 33 VAL H 1 33 VAL MG1 . . 3.890 3.756 3.727 3.790 . 0 0 "[ . 1 . 2]" 1
20 1 32 ILE MG 1 33 VAL H . . 3.760 2.855 2.622 3.078 . 0 0 "[ . 1 . 2]" 1
21 1 73 GLN H 1 74 ALA H . . 4.790 4.286 4.241 4.335 . 0 0 "[ . 1 . 2]" 1
22 1 74 ALA H 1 75 GLN H . . 5.130 4.274 4.114 4.401 . 0 0 "[ . 1 . 2]" 1
23 1 73 GLN HA 1 74 ALA H . . 2.970 2.179 2.161 2.190 . 0 0 "[ . 1 . 2]" 1
24 1 73 GLN QB 1 74 ALA H . . 3.990 3.613 3.551 3.657 . 0 0 "[ . 1 . 2]" 1
25 1 68 LYS HG3 1 74 ALA H . . 3.880 3.735 3.640 3.827 . 0 0 "[ . 1 . 2]" 1
26 1 67 LEU HB2 1 74 ALA H . . 5.050 4.940 4.744 5.051 0.001 19 0 "[ . 1 . 2]" 1
27 1 74 ALA H 1 74 ALA MB . . 3.420 2.493 2.433 2.535 . 0 0 "[ . 1 . 2]" 1
28 1 8 LEU HA 1 77 ALA H . . 3.300 2.864 2.578 3.085 . 0 0 "[ . 1 . 2]" 1
29 1 75 GLN HB2 1 77 ALA H . . 5.380 3.785 2.885 4.475 . 0 0 "[ . 1 . 2]" 1
30 1 76 MET HB3 1 77 ALA H . . 4.450 4.405 4.342 4.460 0.010 16 0 "[ . 1 . 2]" 1
31 1 8 LEU MD2 1 77 ALA H . . 5.160 4.409 3.842 4.643 . 0 0 "[ . 1 . 2]" 1
32 1 64 VAL MG2 1 77 ALA H . . 5.500 4.574 4.374 4.735 . 0 0 "[ . 1 . 2]" 1
33 1 9 TYR HB3 1 77 ALA H . . 4.140 3.275 3.032 3.479 . 0 0 "[ . 1 . 2]" 1
34 1 10 ILE H 1 10 ILE MD . . 4.040 2.246 2.010 2.427 . 0 0 "[ . 1 . 2]" 1
35 1 59 ALA H 1 61 GLN H . . 4.430 3.961 3.832 4.288 . 0 0 "[ . 1 . 2]" 1
36 1 56 SER HB3 1 59 ALA H . . 3.870 3.597 3.211 3.857 . 0 0 "[ . 1 . 2]" 1
37 1 59 ALA H 1 59 ALA MB . . 3.020 2.247 2.150 2.309 . 0 0 "[ . 1 . 2]" 1
38 1 38 ILE H 1 50 GLY HA2 . . 3.940 2.385 2.239 2.549 . 0 0 "[ . 1 . 2]" 1
39 1 38 ILE H 1 50 GLY HA3 . . 4.300 4.079 3.937 4.240 . 0 0 "[ . 1 . 2]" 1
40 1 38 ILE H 1 38 ILE HB . . 3.140 2.691 2.618 2.733 . 0 0 "[ . 1 . 2]" 1
41 1 38 ILE H 1 38 ILE HG12 . . 3.170 2.033 1.948 2.097 . 0 0 "[ . 1 . 2]" 1
42 1 38 ILE H 1 38 ILE MG . . 4.080 3.767 3.756 3.781 . 0 0 "[ . 1 . 2]" 1
43 1 66 ALA H 1 67 LEU H . . 3.450 2.804 2.719 2.881 . 0 0 "[ . 1 . 2]" 1
44 1 66 ALA H 1 68 LYS H . . 5.480 4.152 3.983 4.416 . 0 0 "[ . 1 . 2]" 1
45 1 65 THR HB 1 66 ALA H . . 3.210 2.411 2.267 2.570 . 0 0 "[ . 1 . 2]" 1
46 1 66 ALA H 1 66 ALA MB . . 3.020 2.075 2.041 2.117 . 0 0 "[ . 1 . 2]" 1
47 1 11 ARG H 1 11 ARG HB2 . . 3.790 2.617 2.491 2.711 . 0 0 "[ . 1 . 2]" 1
48 1 11 ARG H 1 11 ARG HB3 . . 3.780 3.682 3.651 3.741 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE HB 1 11 ARG H . . 4.710 4.303 4.136 4.364 . 0 0 "[ . 1 . 2]" 1
50 1 11 ARG H 1 74 ALA MB . . 5.120 4.434 4.338 4.538 . 0 0 "[ . 1 . 2]" 1
51 1 11 ARG H 1 74 ALA HA . . 3.800 3.620 3.537 3.768 . 0 0 "[ . 1 . 2]" 1
52 1 10 ILE HA 1 11 ARG H . . 3.080 2.142 2.139 2.171 . 0 0 "[ . 1 . 2]" 1
53 1 11 ARG H 1 73 GLN QB . . 3.980 2.772 2.680 2.872 . 0 0 "[ . 1 . 2]" 1
54 1 11 ARG H 1 11 ARG HG2 . . 4.090 3.895 3.510 4.081 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE MG 1 11 ARG H . . 3.570 2.608 2.489 2.863 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE H 1 11 ARG H . . 4.720 4.389 4.347 4.491 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLY H 1 54 PHE H . . 4.950 4.337 4.208 4.404 . 0 0 "[ . 1 . 2]" 1
58 1 54 PHE H 1 54 PHE QD . . 3.580 2.880 2.689 3.075 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLY HA2 1 54 PHE H . . 3.710 3.610 3.552 3.685 . 0 0 "[ . 1 . 2]" 1
60 1 53 ASP HA 1 54 PHE H . . 2.900 2.190 2.146 2.271 . 0 0 "[ . 1 . 2]" 1
61 1 6 SER HB2 1 54 PHE H . . 4.290 2.011 1.894 2.263 . 0 0 "[ . 1 . 2]" 1
62 1 32 ILE HA 1 54 PHE H . . 5.500 4.797 4.593 4.987 . 0 0 "[ . 1 . 2]" 1
63 1 6 SER HB3 1 54 PHE H . . 4.290 3.624 3.488 3.783 . 0 0 "[ . 1 . 2]" 1
64 1 54 PHE H 1 54 PHE HB3 . . 3.780 3.578 3.522 3.637 . 0 0 "[ . 1 . 2]" 1
65 1 54 PHE H 1 54 PHE HB2 . . 3.400 2.368 2.276 2.489 . 0 0 "[ . 1 . 2]" 1
66 1 53 ASP HB3 1 54 PHE H . . 4.130 3.111 2.788 3.378 . 0 0 "[ . 1 . 2]" 1
67 1 54 PHE H 1 60 ALA MB . . 4.650 3.446 3.209 3.704 . 0 0 "[ . 1 . 2]" 1
68 1 70 SER HB3 1 72 VAL H . . 3.660 3.272 3.109 3.449 . 0 0 "[ . 1 . 2]" 1
69 1 72 VAL H 1 72 VAL HB . . 3.230 3.054 2.960 3.171 . 0 0 "[ . 1 . 2]" 1
70 1 72 VAL H 1 72 VAL MG1 . . 3.300 2.058 1.903 2.169 . 0 0 "[ . 1 . 2]" 1
71 1 39 LEU HA 1 40 ASP H . . 3.190 2.307 2.219 2.388 . 0 0 "[ . 1 . 2]" 1
72 1 40 ASP H 1 47 LYS QD . . 4.920 3.896 3.216 4.867 . 0 0 "[ . 1 . 2]" 1
73 1 40 ASP H 1 47 LYS HG3 . . 5.370 3.220 2.182 3.949 . 0 0 "[ . 1 . 2]" 1
74 1 27 GLN H 1 29 TYR H . . 3.910 3.772 3.741 3.789 . 0 0 "[ . 1 . 2]" 1
75 1 25 LEU H 1 27 GLN H . . 4.560 3.904 3.820 3.970 . 0 0 "[ . 1 . 2]" 1
76 1 26 CYS H 1 27 GLN H . . 3.280 2.218 2.080 2.317 . 0 0 "[ . 1 . 2]" 1
77 1 24 LYS HA 1 27 GLN H . . 4.700 2.959 2.854 3.049 . 0 0 "[ . 1 . 2]" 1
78 1 23 VAL HA 1 27 GLN H . . 4.760 4.725 4.659 4.760 . 10 0 "[ . 1 . 2]" 1
79 1 27 GLN H 1 28 PRO HD2 . . 3.790 1.986 1.932 2.025 . 0 0 "[ . 1 . 2]" 1
80 1 26 CYS HB2 1 27 GLN H . . 4.280 4.089 4.048 4.130 . 0 0 "[ . 1 . 2]" 1
81 1 27 GLN H 1 27 GLN HG2 . . 4.600 4.061 4.023 4.094 . 0 0 "[ . 1 . 2]" 1
82 1 27 GLN H 1 27 GLN HB2 . . 3.790 2.976 2.962 2.997 . 0 0 "[ . 1 . 2]" 1
83 1 27 GLN H 1 27 GLN HB3 . . 3.790 2.161 2.151 2.166 . 0 0 "[ . 1 . 2]" 1
84 1 27 GLN H 1 32 ILE MD . . 4.080 3.115 3.032 3.183 . 0 0 "[ . 1 . 2]" 1
85 1 8 LEU H 1 52 VAL H . . 3.900 2.459 2.302 2.544 . 0 0 "[ . 1 . 2]" 1
86 1 51 PHE QD 1 52 VAL H . . 4.520 2.761 2.479 3.321 . 0 0 "[ . 1 . 2]" 1
87 1 9 TYR HA 1 52 VAL H . . 4.620 4.079 3.918 4.269 . 0 0 "[ . 1 . 2]" 1
88 1 52 VAL H 1 53 ASP HA . . 5.070 4.554 4.464 4.634 . 0 0 "[ . 1 . 2]" 1
89 1 51 PHE HB2 1 52 VAL H . . 4.690 4.272 4.121 4.380 . 0 0 "[ . 1 . 2]" 1
90 1 51 PHE HB3 1 52 VAL H . . 4.690 3.600 3.341 3.763 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU QB 1 52 VAL H . . 3.900 2.902 2.722 3.091 . 0 0 "[ . 1 . 2]" 1
92 1 52 VAL H 1 52 VAL MG2 . . 3.940 3.016 2.745 3.218 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU MD2 1 9 TYR H . . 4.800 3.633 3.425 3.816 . 0 0 "[ . 1 . 2]" 1
94 1 9 TYR H 1 64 VAL MG2 . . 5.300 4.041 3.921 4.113 . 0 0 "[ . 1 . 2]" 1
95 1 9 TYR H 1 9 TYR HB2 . . 3.600 2.988 2.834 3.108 . 0 0 "[ . 1 . 2]" 1
96 1 9 TYR H 1 9 TYR HB3 . . 3.540 2.952 2.840 3.038 . 0 0 "[ . 1 . 2]" 1
97 1 76 MET H 1 76 MET HG2 . . 4.250 2.669 2.111 3.427 . 0 0 "[ . 1 . 2]" 1
98 1 64 VAL MG2 1 76 MET H . . 3.930 3.475 3.159 3.872 . 0 0 "[ . 1 . 2]" 1
99 1 75 GLN HA 1 76 MET H . . 3.010 2.467 2.397 2.521 . 0 0 "[ . 1 . 2]" 1
100 1 76 MET H 1 76 MET HG3 . . 4.250 3.444 2.911 3.917 . 0 0 "[ . 1 . 2]" 1
101 1 75 GLN HB2 1 76 MET H . . 4.380 2.550 2.225 3.339 . 0 0 "[ . 1 . 2]" 1
102 1 62 LYS H 1 63 ALA H . . 3.350 2.891 2.784 3.012 . 0 0 "[ . 1 . 2]" 1
103 1 60 ALA HA 1 63 ALA H . . 4.290 3.601 3.463 3.737 . 0 0 "[ . 1 . 2]" 1
104 1 62 LYS HB3 1 63 ALA H . . 3.390 2.680 2.354 2.861 . 0 0 "[ . 1 . 2]" 1
105 1 63 ALA H 1 63 ALA MB . . 3.080 2.121 2.047 2.209 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU MD2 1 63 ALA H . . 4.920 3.730 3.520 3.936 . 0 0 "[ . 1 . 2]" 1
107 1 69 ALA H 1 70 SER HA . . 5.250 5.188 5.115 5.252 0.002 20 0 "[ . 1 . 2]" 1
108 1 66 ALA HA 1 69 ALA H . . 3.930 3.478 3.346 3.581 . 0 0 "[ . 1 . 2]" 1
109 1 65 THR HA 1 69 ALA H . . 5.000 4.870 4.744 4.996 . 0 0 "[ . 1 . 2]" 1
110 1 68 LYS QB 1 69 ALA H . . 3.350 2.472 2.358 2.589 . 0 0 "[ . 1 . 2]" 1
111 1 69 ALA H 1 69 ALA MB . . 2.980 2.170 2.051 2.234 . 0 0 "[ . 1 . 2]" 1
112 1 29 TYR QD 1 63 ALA H . . 4.660 3.541 3.338 3.684 . 0 0 "[ . 1 . 2]" 1
113 1 61 GLN QB 1 63 ALA H . . 5.120 4.583 4.434 4.787 . 0 0 "[ . 1 . 2]" 1
114 1 20 GLN H 1 21 ASP H . . 4.030 2.869 2.655 3.027 . 0 0 "[ . 1 . 2]" 1
115 1 21 ASP H 1 21 ASP HB2 . . 3.990 2.275 2.082 2.729 . 0 0 "[ . 1 . 2]" 1
116 1 21 ASP H 1 21 ASP HB3 . . 3.990 3.101 2.779 3.597 . 0 0 "[ . 1 . 2]" 1
117 1 20 GLN HB3 1 21 ASP H . . 4.070 3.311 2.949 3.820 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLN HB2 1 21 ASP H . . 3.970 2.566 2.352 2.892 . 0 0 "[ . 1 . 2]" 1
119 1 17 THR MG 1 21 ASP H . . 4.690 4.395 3.906 4.627 . 0 0 "[ . 1 . 2]" 1
120 1 18 THR MG 1 21 ASP H . . 5.130 4.625 4.415 4.773 . 0 0 "[ . 1 . 2]" 1
121 1 68 LYS H 1 68 LYS HG2 . . 3.980 3.729 3.407 3.850 . 0 0 "[ . 1 . 2]" 1
122 1 67 LEU H 1 68 LYS H . . 3.610 3.070 3.000 3.177 . 0 0 "[ . 1 . 2]" 1
123 1 68 LYS H 1 69 ALA H . . 3.500 2.921 2.830 2.997 . 0 0 "[ . 1 . 2]" 1
124 1 64 VAL HA 1 68 LYS H . . 5.220 3.514 3.434 3.642 . 0 0 "[ . 1 . 2]" 1
125 1 68 LYS H 1 68 LYS QB . . 2.910 2.261 2.198 2.333 . 0 0 "[ . 1 . 2]" 1
126 1 68 LYS H 1 68 LYS HG3 . . 2.850 2.642 2.520 2.780 . 0 0 "[ . 1 . 2]" 1
127 1 67 LEU HB2 1 68 LYS H . . 3.130 2.424 2.250 2.546 . 0 0 "[ . 1 . 2]" 1
128 1 68 LYS H 1 74 ALA MB . . 4.000 3.449 3.279 3.575 . 0 0 "[ . 1 . 2]" 1
129 1 67 LEU HB3 1 68 LYS H . . 4.010 3.437 3.259 3.599 . 0 0 "[ . 1 . 2]" 1
130 1 68 LYS H 1 72 VAL MG1 . . 4.480 3.916 3.777 4.025 . 0 0 "[ . 1 . 2]" 1
131 1 18 THR HB 1 19 ASP H . . 3.270 2.114 1.906 2.535 . 0 0 "[ . 1 . 2]" 1
132 1 19 ASP H 1 19 ASP HB3 . . 3.620 2.917 2.192 3.565 . 0 0 "[ . 1 . 2]" 1
133 1 18 THR MG 1 19 ASP H . . 4.260 3.203 2.701 3.592 . 0 0 "[ . 1 . 2]" 1
134 1 19 ASP H 1 37 ALA MB . . 4.440 3.887 3.415 4.301 . 0 0 "[ . 1 . 2]" 1
135 1 19 ASP H 1 19 ASP HB2 . . 3.620 3.024 2.114 3.577 . 0 0 "[ . 1 . 2]" 1
136 1 61 GLN QB 1 62 LYS H . . 3.280 2.503 2.403 2.675 . 0 0 "[ . 1 . 2]" 1
137 1 62 LYS H 1 62 LYS HB3 . . 2.960 2.953 2.930 2.961 0.001 2 0 "[ . 1 . 2]" 1
138 1 60 ALA MB 1 62 LYS H . . 5.050 4.540 4.315 4.698 . 0 0 "[ . 1 . 2]" 1
139 1 67 LEU H 1 67 LEU HB2 . . 2.990 2.622 2.591 2.674 . 0 0 "[ . 1 . 2]" 1
140 1 67 LEU H 1 67 LEU HG . . 3.000 2.148 2.065 2.213 . 0 0 "[ . 1 . 2]" 1
141 1 66 ALA MB 1 67 LEU H . . 3.320 2.174 2.067 2.251 . 0 0 "[ . 1 . 2]" 1
142 1 67 LEU H 1 67 LEU HB3 . . 3.640 3.613 3.606 3.619 . 0 0 "[ . 1 . 2]" 1
143 1 67 LEU H 1 67 LEU MD2 . . 3.980 3.061 2.963 3.124 . 0 0 "[ . 1 . 2]" 1
144 1 67 LEU H 1 67 LEU MD1 . . 4.030 3.646 3.555 3.703 . 0 0 "[ . 1 . 2]" 1
145 1 63 ALA HA 1 67 LEU H . . 4.790 3.380 3.246 3.513 . 0 0 "[ . 1 . 2]" 1
146 1 14 GLN H 1 17 THR HG1 . . 3.820 1.991 1.902 2.261 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU HA 1 14 GLN H . . 3.570 2.814 2.715 2.941 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU HB3 1 14 GLN H . . 4.580 2.018 1.916 2.154 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU MD2 1 14 GLN H . . 4.580 3.962 3.881 4.030 . 0 0 "[ . 1 . 2]" 1
150 1 23 VAL H 1 23 VAL HB . . 3.290 2.445 2.366 2.491 . 0 0 "[ . 1 . 2]" 1
151 1 23 VAL H 1 35 THR MG . . 3.190 2.735 2.568 2.938 . 0 0 "[ . 1 . 2]" 1
152 1 23 VAL H 1 23 VAL MG2 . . 3.160 2.292 2.122 2.489 . 0 0 "[ . 1 . 2]" 1
153 1 23 VAL H 1 23 VAL MG1 . . 3.950 3.748 3.722 3.757 . 0 0 "[ . 1 . 2]" 1
154 1 20 GLN HA 1 23 VAL H . . 3.620 3.182 3.092 3.324 . 0 0 "[ . 1 . 2]" 1
155 1 30 GLY HA3 1 31 LYS H . . 3.140 2.333 2.244 2.426 . 0 0 "[ . 1 . 2]" 1
156 1 30 GLY HA2 1 31 LYS H . . 3.390 2.823 2.706 2.948 . 0 0 "[ . 1 . 2]" 1
157 1 31 LYS H 1 31 LYS HB3 . . 3.060 3.015 2.909 3.054 . 0 0 "[ . 1 . 2]" 1
158 1 31 LYS H 1 59 ALA MB . . 4.160 2.929 2.670 3.048 . 0 0 "[ . 1 . 2]" 1
159 1 8 LEU H 1 53 ASP HA . . 3.450 3.290 3.145 3.449 . 0 0 "[ . 1 . 2]" 1
160 1 8 LEU H 1 8 LEU HG . . 4.070 2.885 2.685 3.014 . 0 0 "[ . 1 . 2]" 1
161 1 8 LEU H 1 8 LEU QB . . 3.710 2.587 2.514 2.636 . 0 0 "[ . 1 . 2]" 1
162 1 8 LEU H 1 8 LEU MD1 . . 4.510 3.485 3.250 3.671 . 0 0 "[ . 1 . 2]" 1
163 1 37 ALA H 1 51 PHE H . . 5.500 4.315 4.092 4.526 . 0 0 "[ . 1 . 2]" 1
164 1 35 THR HA 1 36 LYS H . . 3.080 2.227 2.173 2.264 . 0 0 "[ . 1 . 2]" 1
165 1 35 THR HB 1 36 LYS H . . 3.400 2.902 2.772 3.139 . 0 0 "[ . 1 . 2]" 1
166 1 36 LYS H 1 36 LYS HB3 . . 3.570 2.670 2.574 2.726 . 0 0 "[ . 1 . 2]" 1
167 1 36 LYS H 1 36 LYS HB2 . . 3.540 3.389 3.240 3.446 . 0 0 "[ . 1 . 2]" 1
168 1 36 LYS H 1 52 VAL MG2 . . 4.300 3.887 3.741 4.054 . 0 0 "[ . 1 . 2]" 1
169 1 51 PHE H 1 52 VAL MG2 . . 4.610 3.874 3.751 4.075 . 0 0 "[ . 1 . 2]" 1
170 1 22 LEU MD1 1 36 LYS H . . 4.010 2.535 2.368 2.764 . 0 0 "[ . 1 . 2]" 1
171 1 22 LEU MD1 1 51 PHE H . . 4.210 2.217 1.926 2.643 . 0 0 "[ . 1 . 2]" 1
172 1 19 ASP HB2 1 20 GLN H . . 4.100 3.014 1.947 4.091 . 0 0 "[ . 1 . 2]" 1
173 1 19 ASP HB3 1 20 GLN H . . 4.100 3.281 2.229 4.054 . 0 0 "[ . 1 . 2]" 1
174 1 19 ASP H 1 20 GLN H . . 4.260 2.949 2.717 3.208 . 0 0 "[ . 1 . 2]" 1
175 1 18 THR HB 1 20 GLN H . . 4.120 3.118 2.546 3.620 . 0 0 "[ . 1 . 2]" 1
176 1 20 GLN H 1 20 GLN HB3 . . 3.590 3.565 3.502 3.595 0.005 14 0 "[ . 1 . 2]" 1
177 1 20 GLN H 1 20 GLN HB2 . . 3.640 2.381 2.200 2.625 . 0 0 "[ . 1 . 2]" 1
178 1 18 THR MG 1 20 GLN H . . 4.960 4.564 4.156 4.820 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU H 1 48 GLY HA2 . . 3.560 2.617 2.439 2.952 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU H 1 13 LEU HG . . 3.080 2.484 2.238 2.664 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU H 1 13 LEU HB2 . . 3.150 2.771 2.671 2.858 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU H 1 13 LEU MD2 . . 4.020 2.969 2.797 3.132 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU H 1 13 LEU MD1 . . 4.250 3.971 3.819 4.086 . 0 0 "[ . 1 . 2]" 1
184 1 11 ARG HA 1 13 LEU H . . 4.330 4.178 3.809 4.328 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU H 1 13 LEU HB3 . . 3.910 3.738 3.682 3.777 . 0 0 "[ . 1 . 2]" 1
186 1 21 ASP HB2 1 22 LEU H . . 4.400 3.471 2.712 3.938 . 0 0 "[ . 1 . 2]" 1
187 1 22 LEU H 1 22 LEU HB3 . . 3.760 3.589 3.582 3.600 . 0 0 "[ . 1 . 2]" 1
188 1 22 LEU H 1 22 LEU MD2 . . 3.910 3.155 2.821 3.421 . 0 0 "[ . 1 . 2]" 1
189 1 21 ASP HB3 1 22 LEU H . . 4.400 2.936 2.601 3.920 . 0 0 "[ . 1 . 2]" 1
190 1 22 LEU H 1 22 LEU HB2 . . 3.400 2.503 2.411 2.583 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU H 1 22 LEU HG . . 3.360 2.267 2.107 2.495 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU H 1 22 LEU MD1 . . 3.900 3.683 3.414 3.886 . 0 0 "[ . 1 . 2]" 1
193 1 57 PRO HA 1 60 ALA H . . 4.030 3.432 3.190 3.699 . 0 0 "[ . 1 . 2]" 1
194 1 60 ALA H 1 61 GLN H . . 3.460 2.766 2.463 2.838 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLY H 1 17 THR H . . 4.860 2.334 2.069 2.477 . 0 0 "[ . 1 . 2]" 1
196 1 17 THR H 1 17 THR HG1 . . 3.410 2.161 1.937 2.563 . 0 0 "[ . 1 . 2]" 1
197 1 15 PRO HA 1 17 THR H . . 4.530 3.861 3.717 4.160 . 0 0 "[ . 1 . 2]" 1
198 1 17 THR H 1 17 THR HB . . 3.250 2.556 2.332 2.734 . 0 0 "[ . 1 . 2]" 1
199 1 17 THR H 1 46 CYS HB2 . . 4.590 3.577 3.005 4.134 . 0 0 "[ . 1 . 2]" 1
200 1 17 THR H 1 46 CYS HB3 . . 4.590 3.732 3.253 4.120 . 0 0 "[ . 1 . 2]" 1
201 1 17 THR H 1 17 THR MG . . 4.200 3.758 3.710 3.769 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLN H 1 17 THR H . . 5.080 3.942 3.768 4.224 . 0 0 "[ . 1 . 2]" 1
203 1 54 PHE QD 1 55 ASP H . . 4.710 3.395 3.107 3.626 . 0 0 "[ . 1 . 2]" 1
204 1 64 VAL H 1 66 ALA H . . 4.620 4.505 4.361 4.621 0.001 15 0 "[ . 1 . 2]" 1
205 1 61 GLN HA 1 64 VAL H . . 3.900 3.396 3.162 3.667 . 0 0 "[ . 1 . 2]" 1
206 1 63 ALA MB 1 64 VAL H . . 3.470 2.341 2.199 2.522 . 0 0 "[ . 1 . 2]" 1
207 1 64 VAL H 1 64 VAL MG2 . . 3.310 2.133 1.951 2.270 . 0 0 "[ . 1 . 2]" 1
208 1 24 LYS H 1 24 LYS HG3 . . 4.370 3.008 2.280 4.062 . 0 0 "[ . 1 . 2]" 1
209 1 22 LEU HA 1 24 LYS H . . 4.750 4.378 4.208 4.585 . 0 0 "[ . 1 . 2]" 1
210 1 23 VAL HB 1 24 LYS H . . 3.240 2.605 2.440 2.708 . 0 0 "[ . 1 . 2]" 1
211 1 24 LYS H 1 24 LYS QD . . 4.120 3.290 2.358 4.095 . 0 0 "[ . 1 . 2]" 1
212 1 24 LYS H 1 24 LYS HG2 . . 4.370 3.907 2.851 4.309 . 0 0 "[ . 1 . 2]" 1
213 1 23 VAL MG2 1 24 LYS H . . 4.010 3.931 3.853 3.998 . 0 0 "[ . 1 . 2]" 1
214 1 44 ASN H 1 45 LYS H . . 4.190 2.656 2.424 3.063 . 0 0 "[ . 1 . 2]" 1
215 1 18 THR H 1 21 ASP H . . 4.450 3.482 3.284 3.808 . 0 0 "[ . 1 . 2]" 1
216 1 17 THR HA 1 18 THR H . . 3.020 2.156 2.141 2.240 . 0 0 "[ . 1 . 2]" 1
217 1 17 THR HB 1 18 THR H . . 4.480 4.215 4.072 4.467 . 0 0 "[ . 1 . 2]" 1
218 1 18 THR H 1 21 ASP HB2 . . 4.060 2.128 1.943 2.547 . 0 0 "[ . 1 . 2]" 1
219 1 17 THR MG 1 18 THR H . . 3.340 2.606 1.980 2.922 . 0 0 "[ . 1 . 2]" 1
220 1 75 GLN H 1 75 GLN HB2 . . 4.040 3.636 2.677 3.940 . 0 0 "[ . 1 . 2]" 1
221 1 75 GLN H 1 75 GLN HB3 . . 4.040 3.249 2.830 3.919 . 0 0 "[ . 1 . 2]" 1
222 1 64 VAL MG2 1 75 GLN H . . 4.050 3.754 3.340 4.031 . 0 0 "[ . 1 . 2]" 1
223 1 74 ALA HA 1 75 GLN H . . 2.890 2.155 2.141 2.195 . 0 0 "[ . 1 . 2]" 1
224 1 10 ILE HA 1 75 GLN H . . 3.900 3.781 3.596 3.890 . 0 0 "[ . 1 . 2]" 1
225 1 75 GLN H 1 75 GLN HG3 . . 4.110 3.430 2.664 4.102 . 0 0 "[ . 1 . 2]" 1
226 1 8 LEU QB 1 75 GLN H . . 4.990 4.404 4.067 4.665 . 0 0 "[ . 1 . 2]" 1
227 1 74 ALA MB 1 75 GLN H . . 3.650 3.133 2.902 3.309 . 0 0 "[ . 1 . 2]" 1
228 1 21 ASP HA 1 25 LEU H . . 4.850 4.776 4.594 4.850 . 6 0 "[ . 1 . 2]" 1
229 1 22 LEU HA 1 25 LEU H . . 3.440 3.311 3.223 3.416 . 0 0 "[ . 1 . 2]" 1
230 1 25 LEU H 1 25 LEU HB3 . . 3.130 3.020 2.952 3.090 . 0 0 "[ . 1 . 2]" 1
231 1 24 LYS QB 1 25 LEU H . . 3.590 3.094 2.952 3.593 0.003 12 0 "[ . 1 . 2]" 1
232 1 25 LEU H 1 25 LEU HB2 . . 3.060 2.105 2.072 2.139 . 0 0 "[ . 1 . 2]" 1
233 1 25 LEU H 1 25 LEU MD1 . . 4.080 3.382 3.213 3.518 . 0 0 "[ . 1 . 2]" 1
234 1 25 LEU H 1 25 LEU MD2 . . 4.240 4.094 3.975 4.184 . 0 0 "[ . 1 . 2]" 1
235 1 5 SER HA 1 6 SER H . . 3.330 2.407 2.295 2.687 . 0 0 "[ . 1 . 2]" 1
236 1 5 SER QB 1 6 SER H . . 3.820 2.577 1.981 3.150 . 0 0 "[ . 1 . 2]" 1
237 1 61 GLN H 1 61 GLN QB . . 3.000 2.474 2.400 2.575 . 0 0 "[ . 1 . 2]" 1
238 1 58 SER HA 1 61 GLN H . . 4.010 3.906 3.477 3.998 . 0 0 "[ . 1 . 2]" 1
239 1 61 GLN H 1 61 GLN QG . . 3.720 2.282 2.089 2.393 . 0 0 "[ . 1 . 2]" 1
240 1 60 ALA MB 1 61 GLN H . . 3.500 2.567 2.449 2.692 . 0 0 "[ . 1 . 2]" 1
241 1 40 ASP H 1 45 LYS H . . 4.730 3.080 2.728 3.809 . 0 0 "[ . 1 . 2]" 1
242 1 43 THR HB 1 45 LYS H . . 4.090 3.032 2.382 3.350 . 0 0 "[ . 1 . 2]" 1
243 1 40 ASP HB2 1 45 LYS H . . 4.790 2.699 2.026 3.632 . 0 0 "[ . 1 . 2]" 1
244 1 45 LYS H 1 45 LYS HB2 . . 4.010 3.187 2.311 3.762 . 0 0 "[ . 1 . 2]" 1
245 1 45 LYS H 1 45 LYS HB3 . . 4.010 3.198 2.643 3.672 . 0 0 "[ . 1 . 2]" 1
246 1 45 LYS H 1 45 LYS HG2 . . 4.440 2.931 1.912 3.920 . 0 0 "[ . 1 . 2]" 1
247 1 45 LYS H 1 45 LYS HG3 . . 4.440 2.857 2.166 3.404 . 0 0 "[ . 1 . 2]" 1
248 1 65 THR H 1 67 LEU H . . 5.190 4.631 4.480 4.773 . 0 0 "[ . 1 . 2]" 1
249 1 64 VAL H 1 65 THR H . . 3.470 2.897 2.749 3.054 . 0 0 "[ . 1 . 2]" 1
250 1 65 THR H 1 65 THR HB . . 3.040 2.567 2.465 2.679 . 0 0 "[ . 1 . 2]" 1
251 1 64 VAL HB 1 65 THR H . . 3.490 2.556 2.356 2.714 . 0 0 "[ . 1 . 2]" 1
252 1 63 ALA MB 1 65 THR H . . 4.520 4.396 4.256 4.519 . 0 0 "[ . 1 . 2]" 1
253 1 64 VAL MG1 1 65 THR H . . 3.580 3.371 3.066 3.545 . 0 0 "[ . 1 . 2]" 1
254 1 62 LYS HA 1 65 THR H . . 4.070 3.965 3.822 4.061 . 0 0 "[ . 1 . 2]" 1
255 1 65 THR H 1 65 THR MG . . 3.780 3.764 3.756 3.771 . 0 0 "[ . 1 . 2]" 1
256 1 42 THR H 1 44 ASN H . . 4.330 3.442 3.058 3.867 . 0 0 "[ . 1 . 2]" 1
257 1 42 THR H 1 43 THR H . . 3.910 2.515 2.148 2.665 . 0 0 "[ . 1 . 2]" 1
258 1 42 THR H 1 42 THR HB . . 3.620 2.776 2.420 3.623 0.003 13 0 "[ . 1 . 2]" 1
259 1 41 LYS QB 1 42 THR H . . 4.640 2.956 2.594 3.536 . 0 0 "[ . 1 . 2]" 1
260 1 42 THR H 1 42 THR MG . . 4.440 3.632 2.728 3.825 . 0 0 "[ . 1 . 2]" 1
261 1 34 SER H 1 53 ASP HA . . 5.240 4.895 4.710 5.039 . 0 0 "[ . 1 . 2]" 1
262 1 34 SER H 1 54 PHE HA . . 5.500 4.580 4.421 4.673 . 0 0 "[ . 1 . 2]" 1
263 1 33 VAL MG1 1 34 SER H . . 4.080 3.391 3.250 3.624 . 0 0 "[ . 1 . 2]" 1
264 1 33 VAL H 1 34 SER H . . 3.070 2.805 2.602 2.977 . 0 0 "[ . 1 . 2]" 1
265 1 34 SER H 1 53 ASP H . . 3.850 3.410 3.253 3.534 . 0 0 "[ . 1 . 2]" 1
266 1 34 SER H 1 53 ASP HB2 . . 3.450 2.630 2.397 2.897 . 0 0 "[ . 1 . 2]" 1
267 1 33 VAL HB 1 34 SER H . . 3.470 2.116 2.030 2.202 . 0 0 "[ . 1 . 2]" 1
268 1 32 ILE MG 1 34 SER H . . 3.360 2.847 2.722 2.946 . 0 0 "[ . 1 . 2]" 1
269 1 68 LYS HA 1 70 SER H . . 4.620 4.030 3.909 4.132 . 0 0 "[ . 1 . 2]" 1
270 1 70 SER H 1 70 SER HB2 . . 3.330 2.134 2.113 2.164 . 0 0 "[ . 1 . 2]" 1
271 1 67 LEU HA 1 70 SER H . . 3.620 3.317 3.192 3.427 . 0 0 "[ . 1 . 2]" 1
272 1 69 ALA MB 1 70 SER H . . 3.780 2.917 2.828 3.024 . 0 0 "[ . 1 . 2]" 1
273 1 68 LYS QB 1 70 SER H . . 4.890 4.340 4.242 4.418 . 0 0 "[ . 1 . 2]" 1
274 1 29 TYR H 1 29 TYR HB3 . . 3.920 3.598 3.589 3.603 . 0 0 "[ . 1 . 2]" 1
275 1 28 PRO HD2 1 29 TYR H . . 3.970 3.024 2.983 3.046 . 0 0 "[ . 1 . 2]" 1
276 1 28 PRO HB2 1 29 TYR H . . 4.350 3.961 3.930 3.977 . 0 0 "[ . 1 . 2]" 1
277 1 55 ASP H 1 56 SER H . . 3.650 2.569 2.474 2.654 . 0 0 "[ . 1 . 2]" 1
278 1 56 SER H 1 56 SER HB2 . . 4.130 3.019 2.832 3.959 . 0 0 "[ . 1 . 2]" 1
279 1 6 SER HB2 1 56 SER H . . 3.790 3.162 2.804 3.553 . 0 0 "[ . 1 . 2]" 1
280 1 56 SER H 1 56 SER HB3 . . 4.130 3.904 2.967 4.025 . 0 0 "[ . 1 . 2]" 1
281 1 6 SER HB3 1 56 SER H . . 3.790 3.587 3.033 3.788 . 0 0 "[ . 1 . 2]" 1
282 1 54 PHE HB3 1 56 SER H . . 3.460 2.185 2.134 2.273 . 0 0 "[ . 1 . 2]" 1
283 1 54 PHE HB2 1 56 SER H . . 3.780 3.222 3.047 3.404 . 0 0 "[ . 1 . 2]" 1
284 1 55 ASP HB3 1 56 SER H . . 5.010 3.974 3.811 4.077 . 0 0 "[ . 1 . 2]" 1
285 1 56 SER H 1 59 ALA MB . . 3.800 3.115 2.946 3.272 . 0 0 "[ . 1 . 2]" 1
286 1 34 SER HA 1 35 THR H . . 3.000 2.250 2.186 2.322 . 0 0 "[ . 1 . 2]" 1
287 1 35 THR H 1 35 THR MG . . 3.990 2.999 2.769 3.201 . 0 0 "[ . 1 . 2]" 1
288 1 43 THR H 1 44 ASN H . . 3.790 2.383 1.890 2.633 . 0 0 "[ . 1 . 2]" 1
289 1 42 THR HB 1 43 THR H . . 3.560 2.363 2.018 3.259 . 0 0 "[ . 1 . 2]" 1
290 1 43 THR H 1 43 THR MG . . 3.780 2.773 2.321 3.260 . 0 0 "[ . 1 . 2]" 1
291 1 26 CYS H 1 26 CYS HB2 . . 3.300 2.922 2.791 3.015 . 0 0 "[ . 1 . 2]" 1
292 1 25 LEU HB3 1 26 CYS H . . 3.290 2.837 2.673 3.075 . 0 0 "[ . 1 . 2]" 1
293 1 25 LEU HB2 1 26 CYS H . . 3.920 3.515 3.377 3.631 . 0 0 "[ . 1 . 2]" 1
294 1 26 CYS H 1 52 VAL MG2 . . 4.420 4.083 3.814 4.244 . 0 0 "[ . 1 . 2]" 1
295 1 6 SER H 1 7 GLY H . . 3.590 2.130 1.799 2.260 . 0 0 "[ . 1 . 2]" 1
296 1 7 GLY H 1 77 ALA MB . . 4.340 4.005 3.794 4.291 . 0 0 "[ . 1 . 2]" 1
297 1 70 SER HB3 1 71 GLY H . . 4.270 3.111 3.035 3.280 . 0 0 "[ . 1 . 2]" 1
298 1 70 SER HB2 1 71 GLY H . . 4.850 3.560 3.504 3.687 . 0 0 "[ . 1 . 2]" 1
299 1 11 ARG H 1 12 GLY H . . 4.600 4.548 4.528 4.568 . 0 0 "[ . 1 . 2]" 1
300 1 11 ARG HA 1 12 GLY H . . 3.500 2.447 2.372 2.479 . 0 0 "[ . 1 . 2]" 1
301 1 11 ARG HB2 1 12 GLY H . . 3.510 3.396 3.276 3.509 . 0 0 "[ . 1 . 2]" 1
302 1 11 ARG HB3 1 12 GLY H . . 3.310 2.401 2.288 2.570 . 0 0 "[ . 1 . 2]" 1
303 1 11 ARG HG3 1 12 GLY H . . 5.050 4.669 4.476 4.918 . 0 0 "[ . 1 . 2]" 1
304 1 47 LYS H 1 48 GLY H . . 4.120 2.825 2.509 3.042 . 0 0 "[ . 1 . 2]" 1
305 1 48 GLY H 1 49 TYR H . . 3.590 1.839 1.799 1.977 . 0 0 "[ . 1 . 2]" 1
306 1 49 TYR HB3 1 50 GLY H . . 4.240 3.038 2.780 3.340 . 0 0 "[ . 1 . 2]" 1
307 1 30 GLY H 1 31 LYS H . . 4.970 4.307 4.215 4.356 . 0 0 "[ . 1 . 2]" 1
308 1 30 GLY H 1 54 PHE QE . . 3.950 2.502 2.132 2.728 . 0 0 "[ . 1 . 2]" 1
309 1 29 TYR HB2 1 30 GLY H . . 4.860 2.710 2.467 2.937 . 0 0 "[ . 1 . 2]" 1
310 1 29 TYR HB3 1 30 GLY H . . 5.300 3.588 3.340 3.777 . 0 0 "[ . 1 . 2]" 1
311 1 10 ILE HB 1 50 GLY H . . 4.790 3.398 3.233 3.667 . 0 0 "[ . 1 . 2]" 1
312 1 48 GLY H 1 49 TYR HB2 . . 5.500 4.796 4.375 5.028 . 0 0 "[ . 1 . 2]" 1
313 1 22 LEU MD1 1 38 ILE H . . 4.580 3.852 3.675 4.222 . 0 0 "[ . 1 . 2]" 1
314 1 37 ALA H 1 39 LEU MD2 . . 5.160 4.632 4.333 4.958 . 0 0 "[ . 1 . 2]" 1
315 1 37 ALA H 1 38 ILE H . . 4.970 4.496 4.456 4.523 . 0 0 "[ . 1 . 2]" 1
316 1 32 ILE MG 1 35 THR H . . 5.100 3.971 3.756 4.183 . 0 0 "[ . 1 . 2]" 1
317 1 35 THR H 1 36 LYS H . . 4.970 4.483 4.420 4.553 . 0 0 "[ . 1 . 2]" 1
318 1 32 ILE H 1 54 PHE QD . . 5.500 4.762 4.345 4.975 . 0 0 "[ . 1 . 2]" 1
319 1 32 ILE H 1 54 PHE QE . . 5.500 4.776 4.289 5.058 . 0 0 "[ . 1 . 2]" 1
320 1 31 LYS H 1 54 PHE QD . . 4.690 2.645 2.317 2.829 . 0 0 "[ . 1 . 2]" 1
321 1 30 GLY H 1 59 ALA MB . . 5.120 5.028 4.774 5.133 0.013 2 0 "[ . 1 . 2]" 1
322 1 29 TYR H 1 29 TYR QD . . 3.500 2.059 1.988 2.140 . 0 0 "[ . 1 . 2]" 1
323 1 29 TYR H 1 29 TYR HB2 . . 3.500 2.361 2.337 2.368 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU MD1 1 26 CYS H . . 4.940 4.661 4.578 4.746 . 0 0 "[ . 1 . 2]" 1
325 1 24 LYS HA 1 26 CYS H . . 5.260 3.941 3.708 4.112 . 0 0 "[ . 1 . 2]" 1
326 1 22 LEU HA 1 26 CYS H . . 5.170 5.094 5.025 5.168 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU H 1 26 CYS H . . 3.370 2.672 2.591 2.740 . 0 0 "[ . 1 . 2]" 1
328 1 22 LEU H 1 24 LYS H . . 4.660 4.235 4.089 4.405 . 0 0 "[ . 1 . 2]" 1
329 1 24 LYS H 1 26 CYS H . . 5.060 4.415 4.259 4.545 . 0 0 "[ . 1 . 2]" 1
330 1 23 VAL H 1 24 LYS H . . 3.320 2.782 2.685 2.831 . 0 0 "[ . 1 . 2]" 1
331 1 21 ASP H 1 22 LEU H . . 3.380 2.879 2.715 2.997 . 0 0 "[ . 1 . 2]" 1
332 1 22 LEU H 1 23 VAL HB . . 5.500 4.703 4.594 4.791 . 0 0 "[ . 1 . 2]" 1
333 1 22 LEU H 1 23 VAL MG2 . . 4.550 4.220 4.070 4.402 . 0 0 "[ . 1 . 2]" 1
334 1 17 THR H 1 18 THR H . . 4.850 4.522 4.374 4.621 . 0 0 "[ . 1 . 2]" 1
335 1 13 LEU MD1 1 17 THR H . . 5.500 5.428 5.266 5.497 . 0 0 "[ . 1 . 2]" 1
336 1 14 GLN HB2 1 17 THR H . . 5.130 3.539 3.160 3.764 . 0 0 "[ . 1 . 2]" 1
337 1 14 GLN HB3 1 17 THR H . . 4.630 3.542 3.248 4.078 . 0 0 "[ . 1 . 2]" 1
338 1 13 LEU HB2 1 14 GLN H . . 4.700 2.489 2.253 2.661 . 0 0 "[ . 1 . 2]" 1
339 1 14 GLN H 1 17 THR HB . . 4.640 3.719 3.520 3.931 . 0 0 "[ . 1 . 2]" 1
340 1 13 LEU H 1 49 TYR HA . . 4.920 4.091 3.788 4.383 . 0 0 "[ . 1 . 2]" 1
341 1 12 GLY H 1 13 LEU H . . 3.310 2.789 2.576 2.963 . 0 0 "[ . 1 . 2]" 1
342 1 9 TYR H 1 77 ALA MB . . 4.600 3.984 3.334 4.464 . 0 0 "[ . 1 . 2]" 1
343 1 9 TYR H 1 77 ALA H . . 4.170 2.781 2.577 3.032 . 0 0 "[ . 1 . 2]" 1
344 1 7 GLY H 1 53 ASP HA . . 4.190 4.134 4.020 4.190 . 0 0 "[ . 1 . 2]" 1
345 1 7 GLY H 1 8 LEU H . . 4.870 4.564 4.522 4.606 . 0 0 "[ . 1 . 2]" 1
346 1 50 GLY HA2 1 51 PHE H . . 3.370 2.235 2.197 2.270 . 0 0 "[ . 1 . 2]" 1
347 1 8 LEU HG 1 52 VAL H . . 4.980 4.756 4.643 4.881 . 0 0 "[ . 1 . 2]" 1
348 1 36 LYS H 1 52 VAL H . . 5.120 4.561 4.419 4.707 . 0 0 "[ . 1 . 2]" 1
349 1 51 PHE H 1 52 VAL H . . 5.500 4.488 4.425 4.534 . 0 0 "[ . 1 . 2]" 1
350 1 52 VAL MG1 1 54 PHE H . . 5.150 4.464 4.164 4.897 . 0 0 "[ . 1 . 2]" 1
351 1 33 VAL MG2 1 54 PHE H . . 5.500 3.643 3.308 3.833 . 0 0 "[ . 1 . 2]" 1
352 1 6 SER HA 1 54 PHE H . . 5.220 3.520 3.436 3.611 . 0 0 "[ . 1 . 2]" 1
353 1 54 PHE H 1 56 SER H . . 5.500 4.424 4.181 4.687 . 0 0 "[ . 1 . 2]" 1
354 1 53 ASP H 1 54 PHE H . . 4.550 4.511 4.441 4.567 0.017 12 0 "[ . 1 . 2]" 1
355 1 31 LYS HB3 1 55 ASP H . . 4.530 2.637 2.396 2.848 . 0 0 "[ . 1 . 2]" 1
356 1 55 ASP HB2 1 56 SER H . . 5.010 4.351 3.566 4.516 . 0 0 "[ . 1 . 2]" 1
357 1 59 ALA H 1 60 ALA HA . . 5.070 5.020 4.945 5.080 0.010 20 0 "[ . 1 . 2]" 1
358 1 59 ALA H 1 60 ALA H . . 3.330 2.377 2.278 2.468 . 0 0 "[ . 1 . 2]" 1
359 1 57 PRO HA 1 61 GLN H . . 4.720 4.274 4.062 4.661 . 0 0 "[ . 1 . 2]" 1
360 1 61 GLN H 1 62 LYS H . . 3.190 2.884 2.806 2.955 . 0 0 "[ . 1 . 2]" 1
361 1 63 ALA H 1 64 VAL H . . 3.330 2.764 2.611 2.994 . 0 0 "[ . 1 . 2]" 1
362 1 65 THR H 1 66 ALA H . . 3.080 2.818 2.651 3.021 . 0 0 "[ . 1 . 2]" 1
363 1 70 SER H 1 72 VAL MG1 . . 4.580 3.900 3.733 4.040 . 0 0 "[ . 1 . 2]" 1
364 1 70 SER H 1 71 GLY H . . 3.130 2.521 2.426 2.567 . 0 0 "[ . 1 . 2]" 1
365 1 68 LYS H 1 70 SER H . . 5.260 3.945 3.848 4.033 . 0 0 "[ . 1 . 2]" 1
366 1 71 GLY H 1 72 VAL MG1 . . 5.140 3.398 3.207 3.558 . 0 0 "[ . 1 . 2]" 1
367 1 71 GLY H 1 72 VAL HB . . 5.000 4.729 4.606 4.933 . 0 0 "[ . 1 . 2]" 1
368 1 70 SER H 1 72 VAL H . . 4.140 3.859 3.745 3.949 . 0 0 "[ . 1 . 2]" 1
369 1 72 VAL H 1 73 GLN H . . 4.860 4.455 4.405 4.513 . 0 0 "[ . 1 . 2]" 1
370 1 10 ILE MG 1 74 ALA H . . 5.420 4.999 4.724 5.138 . 0 0 "[ . 1 . 2]" 1
371 1 67 LEU MD1 1 74 ALA H . . 5.500 4.984 4.814 5.182 . 0 0 "[ . 1 . 2]" 1
372 1 10 ILE HA 1 74 ALA H . . 4.810 4.693 4.634 4.760 . 0 0 "[ . 1 . 2]" 1
373 1 9 TYR H 1 75 GLN H . . 3.750 2.757 2.521 3.011 . 0 0 "[ . 1 . 2]" 1
374 1 76 MET H 1 77 ALA H . . 3.640 3.370 3.176 3.621 . 0 0 "[ . 1 . 2]" 1
375 1 33 VAL MG2 1 34 SER H . . 3.830 3.454 3.193 3.569 . 0 0 "[ . 1 . 2]" 1
376 1 34 SER H 1 35 THR MG . . 4.980 4.347 4.156 4.558 . 0 0 "[ . 1 . 2]" 1
377 1 41 LYS HA 1 44 ASN H . . 4.810 4.634 4.189 4.810 . 0 0 "[ . 1 . 2]" 1
378 1 38 ILE HB 1 39 LEU H . . 4.490 4.224 4.101 4.307 . 0 0 "[ . 1 . 2]" 1
379 1 13 LEU MD1 1 38 ILE H . . 5.500 4.132 3.932 4.399 . 0 0 "[ . 1 . 2]" 1
380 1 38 ILE H 1 39 LEU MD2 . . 5.500 4.360 3.695 4.884 . 0 0 "[ . 1 . 2]" 1
381 1 37 ALA HA 1 51 PHE H . . 4.150 2.562 2.339 2.761 . 0 0 "[ . 1 . 2]" 1
382 1 34 SER H 1 35 THR H . . 4.430 4.307 4.216 4.381 . 0 0 "[ . 1 . 2]" 1
383 1 34 SER H 1 52 VAL HA . . 5.320 5.144 4.995 5.271 . 0 0 "[ . 1 . 2]" 1
384 1 27 GLN HA 1 30 GLY H . . 4.070 3.959 3.913 4.022 . 0 0 "[ . 1 . 2]" 1
385 1 27 GLN HA 1 29 TYR H . . 3.820 3.693 3.674 3.726 . 0 0 "[ . 1 . 2]" 1
386 1 25 LEU HB3 1 27 GLN H . . 5.500 4.941 4.825 5.081 . 0 0 "[ . 1 . 2]" 1
387 1 18 THR H 1 22 LEU H . . 5.500 4.551 4.177 4.917 . 0 0 "[ . 1 . 2]" 1
388 1 22 LEU H 1 23 VAL H . . 2.710 2.619 2.559 2.705 . 0 0 "[ . 1 . 2]" 1
389 1 11 ARG HG2 1 12 GLY H . . 4.590 4.330 4.139 4.527 . 0 0 "[ . 1 . 2]" 1
390 1 12 GLY H 1 13 LEU HG . . 4.440 3.590 3.339 3.775 . 0 0 "[ . 1 . 2]" 1
391 1 11 ARG H 1 72 VAL MG2 . . 4.420 3.403 3.088 3.600 . 0 0 "[ . 1 . 2]" 1
392 1 10 ILE H 1 51 PHE HA . . 4.480 3.694 3.617 3.827 . 0 0 "[ . 1 . 2]" 1
393 1 8 LEU QB 1 9 TYR H . . 3.690 2.596 2.388 2.866 . 0 0 "[ . 1 . 2]" 1
394 1 8 LEU H 1 77 ALA MB . . 4.870 3.639 3.259 4.226 . 0 0 "[ . 1 . 2]" 1
395 1 8 LEU H 1 51 PHE QD . . 4.810 3.605 3.242 4.194 . 0 0 "[ . 1 . 2]" 1
396 1 8 LEU H 1 77 ALA H . . 5.500 5.231 4.972 5.413 . 0 0 "[ . 1 . 2]" 1
397 1 7 GLY H 1 60 ALA MB . . 4.170 4.128 4.043 4.178 0.008 3 0 "[ . 1 . 2]" 1
398 1 38 ILE HG12 1 51 PHE H . . 5.260 3.821 3.619 3.963 . 0 0 "[ . 1 . 2]" 1
399 1 8 LEU MD1 1 52 VAL H . . 4.140 4.068 3.924 4.140 . 0 0 "[ . 1 . 2]" 1
400 1 10 ILE MD 1 52 VAL H . . 4.910 4.054 3.824 4.345 . 0 0 "[ . 1 . 2]" 1
401 1 52 VAL H 1 77 ALA MB . . 5.500 4.690 4.331 5.297 . 0 0 "[ . 1 . 2]" 1
402 1 7 GLY HA2 1 52 VAL H . . 4.340 4.133 3.949 4.320 . 0 0 "[ . 1 . 2]" 1
403 1 6 SER H 1 54 PHE H . . 5.110 4.735 4.495 5.107 . 0 0 "[ . 1 . 2]" 1
404 1 54 PHE H 1 55 ASP H . . 5.080 4.521 4.480 4.560 . 0 0 "[ . 1 . 2]" 1
405 1 33 VAL H 1 55 ASP H . . 5.500 3.497 3.233 3.717 . 0 0 "[ . 1 . 2]" 1
406 1 56 SER H 1 59 ALA H . . 4.380 4.295 4.047 4.381 0.001 5 0 "[ . 1 . 2]" 1
407 1 58 SER HA 1 60 ALA H . . 4.830 4.643 3.885 4.821 . 0 0 "[ . 1 . 2]" 1
408 1 60 ALA H 1 60 ALA MB . . 2.850 2.145 2.084 2.228 . 0 0 "[ . 1 . 2]" 1
409 1 62 LYS HA 1 66 ALA H . . 4.540 4.324 4.133 4.517 . 0 0 "[ . 1 . 2]" 1
410 1 66 ALA HA 1 68 LYS H . . 4.650 4.422 4.200 4.652 0.002 15 0 "[ . 1 . 2]" 1
411 1 67 LEU HA 1 71 GLY H . . 5.300 4.699 4.601 4.895 . 0 0 "[ . 1 . 2]" 1
412 1 71 GLY H 1 72 VAL HA . . 5.500 4.788 4.746 4.868 . 0 0 "[ . 1 . 2]" 1
413 1 68 LYS HA 1 72 VAL H . . 3.670 3.384 3.191 3.504 . 0 0 "[ . 1 . 2]" 1
414 1 67 LEU HB3 1 72 VAL H . . 4.450 4.326 4.225 4.446 . 0 0 "[ . 1 . 2]" 1
415 1 75 GLN H 1 75 GLN HG2 . . 4.110 2.498 2.064 2.878 . 0 0 "[ . 1 . 2]" 1
416 1 8 LEU QB 1 60 ALA MB . . 4.740 4.041 3.881 4.279 . 0 0 "[ . 1 . 2]" 1
417 1 10 ILE MD 1 74 ALA HA . . 4.530 4.087 3.891 4.248 . 0 0 "[ . 1 . 2]" 1
418 1 10 ILE HA 1 10 ILE MD . . 4.490 3.402 3.244 3.546 . 0 0 "[ . 1 . 2]" 1
419 1 10 ILE MD 1 25 LEU HB3 . . 4.000 3.460 3.205 3.653 . 0 0 "[ . 1 . 2]" 1
420 1 10 ILE MD 1 25 LEU HG . . 3.970 3.521 3.252 3.761 . 0 0 "[ . 1 . 2]" 1
421 1 8 LEU QB 1 10 ILE MD . . 3.580 2.407 2.243 2.593 . 0 0 "[ . 1 . 2]" 1
422 1 26 CYS H 1 32 ILE MD . . 4.310 2.853 2.702 2.992 . 0 0 "[ . 1 . 2]" 1
423 1 32 ILE MD 1 54 PHE QE . . 3.620 3.333 3.131 3.580 . 0 0 "[ . 1 . 2]" 1
424 1 27 GLN HA 1 32 ILE MD . . 3.440 2.055 1.942 2.232 . 0 0 "[ . 1 . 2]" 1
425 1 27 GLN HB2 1 32 ILE MD . . 4.290 2.935 2.807 3.101 . 0 0 "[ . 1 . 2]" 1
426 1 7 GLY HA2 1 8 LEU H . . 3.350 2.164 2.144 2.206 . 0 0 "[ . 1 . 2]" 1
427 1 7 GLY HA3 1 8 LEU H . . 3.560 3.124 3.022 3.196 . 0 0 "[ . 1 . 2]" 1
428 1 7 GLY HA3 1 77 ALA MB . . 4.010 2.784 2.517 3.114 . 0 0 "[ . 1 . 2]" 1
429 1 50 GLY HA3 1 51 PHE H . . 3.380 2.968 2.911 3.038 . 0 0 "[ . 1 . 2]" 1
430 1 22 LEU MD1 1 50 GLY HA3 . . 3.540 2.971 2.277 3.538 . 0 0 "[ . 1 . 2]" 1
431 1 13 LEU MD1 1 50 GLY HA3 . . 3.880 2.134 2.023 2.242 . 0 0 "[ . 1 . 2]" 1
432 1 30 GLY HA3 1 54 PHE QE . . 3.990 2.142 2.017 2.317 . 0 0 "[ . 1 . 2]" 1
433 1 30 GLY HA2 1 59 ALA MB . . 4.090 3.925 3.639 4.069 . 0 0 "[ . 1 . 2]" 1
434 1 13 LEU HB2 1 48 GLY HA2 . . 3.970 2.847 2.702 3.028 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU HA 1 25 LEU HB3 . . 3.700 3.594 3.477 3.697 . 0 0 "[ . 1 . 2]" 1
436 1 25 LEU HB3 1 25 LEU MD1 . . 3.490 3.188 3.177 3.194 . 0 0 "[ . 1 . 2]" 1
437 1 25 LEU HB2 1 25 LEU MD1 . . 3.380 2.364 2.289 2.439 . 0 0 "[ . 1 . 2]" 1
438 1 25 LEU HB2 1 25 LEU MD2 . . 3.420 2.292 2.129 2.436 . 0 0 "[ . 1 . 2]" 1
439 1 9 TYR QE 1 11 ARG QD . . 4.310 3.799 3.430 4.300 . 0 0 "[ . 1 . 2]" 1
440 1 11 ARG QD 1 73 GLN QB . . 4.450 2.068 1.768 2.961 . 0 0 "[ . 1 . 2]" 1
441 1 11 ARG HB2 1 11 ARG QD . . 3.230 2.103 1.970 2.402 . 0 0 "[ . 1 . 2]" 1
442 1 11 ARG HB3 1 11 ARG QD . . 3.240 2.937 2.363 3.209 . 0 0 "[ . 1 . 2]" 1
443 1 36 LYS HB3 1 51 PHE HB3 . . 3.970 2.058 2.001 2.191 . 0 0 "[ . 1 . 2]" 1
444 1 34 SER H 1 53 ASP HB3 . . 4.050 3.643 3.452 3.783 . 0 0 "[ . 1 . 2]" 1
445 1 53 ASP H 1 53 ASP HB3 . . 3.770 3.605 3.561 3.644 . 0 0 "[ . 1 . 2]" 1
446 1 33 VAL HB 1 53 ASP HB3 . . 4.080 3.127 2.936 3.287 . 0 0 "[ . 1 . 2]" 1
447 1 53 ASP H 1 53 ASP HB2 . . 3.710 2.359 2.298 2.427 . 0 0 "[ . 1 . 2]" 1
448 1 40 ASP HB3 1 45 LYS H . . 4.790 3.811 3.251 4.169 . 0 0 "[ . 1 . 2]" 1
449 1 33 VAL HB 1 53 ASP HB2 . . 4.060 3.153 2.879 3.418 . 0 0 "[ . 1 . 2]" 1
450 1 33 VAL MG2 1 53 ASP HB2 . . 4.110 3.996 3.629 4.110 . 9 0 "[ . 1 . 2]" 1
451 1 39 LEU H 1 39 LEU HB3 . . 3.830 3.765 3.712 3.818 . 0 0 "[ . 1 . 2]" 1
452 1 39 LEU HB3 1 40 ASP H . . 3.890 2.758 2.520 3.041 . 0 0 "[ . 1 . 2]" 1
453 1 40 ASP H 1 40 ASP HB2 . . 3.600 2.144 2.097 2.261 . 0 0 "[ . 1 . 2]" 1
454 1 40 ASP H 1 40 ASP HB3 . . 3.600 3.326 2.888 3.485 . 0 0 "[ . 1 . 2]" 1
455 1 54 PHE HB3 1 55 ASP H . . 3.550 2.497 2.373 2.670 . 0 0 "[ . 1 . 2]" 1
456 1 54 PHE HB2 1 55 ASP H . . 4.000 3.865 3.788 3.992 . 0 0 "[ . 1 . 2]" 1
457 1 54 PHE HB2 1 60 ALA MB . . 3.550 2.365 2.038 2.513 . 0 0 "[ . 1 . 2]" 1
458 1 54 PHE HB2 1 59 ALA MB . . 3.550 3.251 3.103 3.552 0.002 20 0 "[ . 1 . 2]" 1
459 1 62 LYS QE 1 62 LYS HG3 . . 3.330 2.176 2.016 2.480 . 0 0 "[ . 1 . 2]" 1
460 1 47 LYS QE 1 47 LYS HG3 . . 3.680 2.691 1.979 3.337 . 0 0 "[ . 1 . 2]" 1
461 1 31 LYS QE 1 31 LYS HG2 . . 3.730 2.500 2.093 3.102 . 0 0 "[ . 1 . 2]" 1
462 1 36 LYS HB2 1 36 LYS QE . . 3.320 2.276 2.030 2.785 . 0 0 "[ . 1 . 2]" 1
463 1 59 ALA HA 1 62 LYS QE . . 3.970 3.631 3.251 3.846 . 0 0 "[ . 1 . 2]" 1
464 1 62 LYS HB3 1 62 LYS QE . . 3.610 3.323 3.187 3.481 . 0 0 "[ . 1 . 2]" 1
465 1 24 LYS QB 1 24 LYS QE . . 3.910 3.211 2.445 3.678 . 0 0 "[ . 1 . 2]" 1
466 1 9 TYR QD 1 38 ILE MD . . 4.750 4.032 3.756 4.326 . 0 0 "[ . 1 . 2]" 1
467 1 38 ILE MD 1 49 TYR QD . . 5.190 4.190 3.948 4.415 . 0 0 "[ . 1 . 2]" 1
468 1 36 LYS HB3 1 38 ILE MD . . 4.100 3.970 3.752 4.087 . 0 0 "[ . 1 . 2]" 1
469 1 36 LYS QG 1 38 ILE MD . . 3.260 2.447 2.297 2.574 . 0 0 "[ . 1 . 2]" 1
470 1 38 ILE MD 1 39 LEU H . . 4.100 3.817 3.729 3.992 . 0 0 "[ . 1 . 2]" 1
471 1 38 ILE H 1 38 ILE MD . . 4.610 2.641 2.447 2.980 . 0 0 "[ . 1 . 2]" 1
472 1 38 ILE MD 1 51 PHE QD . . 3.710 2.885 2.771 3.034 . 0 0 "[ . 1 . 2]" 1
473 1 38 ILE HA 1 38 ILE MD . . 3.250 2.030 1.972 2.229 . 0 0 "[ . 1 . 2]" 1
474 1 36 LYS QD 1 38 ILE MD . . 3.770 3.627 3.401 3.766 . 0 0 "[ . 1 . 2]" 1
475 1 13 LEU HB3 1 17 THR HB . . 4.090 3.851 3.624 4.088 . 0 0 "[ . 1 . 2]" 1
476 1 13 LEU HB3 1 13 LEU MD2 . . 3.330 2.529 2.472 2.567 . 0 0 "[ . 1 . 2]" 1
477 1 13 LEU HB3 1 13 LEU MD1 . . 3.420 2.226 2.161 2.315 . 0 0 "[ . 1 . 2]" 1
478 1 13 LEU HB2 1 13 LEU HG . . 2.610 2.380 2.351 2.419 . 0 0 "[ . 1 . 2]" 1
479 1 68 LYS QB 1 68 LYS QE . . 3.260 2.984 1.954 3.272 0.012 15 0 "[ . 1 . 2]" 1
480 1 68 LYS QE 1 68 LYS HG2 . . 3.400 2.152 1.970 3.296 . 0 0 "[ . 1 . 2]" 1
481 1 64 VAL MG1 1 68 LYS QE . . 3.910 3.135 1.642 3.477 . 0 0 "[ . 1 . 2]" 1
482 1 47 LYS QE 1 47 LYS HG2 . . 3.680 2.434 1.972 3.194 . 0 0 "[ . 1 . 2]" 1
483 1 38 ILE MG 1 47 LYS QE . . 3.800 3.049 1.845 3.730 . 0 0 "[ . 1 . 2]" 1
484 1 9 TYR HB2 1 77 ALA H . . 3.900 2.896 2.780 3.011 . 0 0 "[ . 1 . 2]" 1
485 1 10 ILE HB 1 25 LEU MD2 . . 4.000 2.593 2.419 2.791 . 0 0 "[ . 1 . 2]" 1
486 1 49 TYR HB2 1 50 GLY H . . 3.510 3.377 3.004 3.510 . 0 0 "[ . 1 . 2]" 1
487 1 8 LEU HA 1 9 TYR HB2 . . 4.240 4.135 4.078 4.216 . 0 0 "[ . 1 . 2]" 1
488 1 22 LEU HB2 1 23 VAL H . . 3.830 2.578 2.424 2.744 . 0 0 "[ . 1 . 2]" 1
489 1 22 LEU HB2 1 22 LEU MD2 . . 3.470 3.187 3.178 3.195 . 0 0 "[ . 1 . 2]" 1
490 1 22 LEU HB2 1 22 LEU MD1 . . 3.450 2.368 2.244 2.493 . 0 0 "[ . 1 . 2]" 1
491 1 22 LEU HB3 1 35 THR HB . . 3.550 2.684 2.495 2.968 . 0 0 "[ . 1 . 2]" 1
492 1 55 ASP H 1 55 ASP HB2 . . 3.760 3.384 2.181 3.557 . 0 0 "[ . 1 . 2]" 1
493 1 31 LYS HB3 1 55 ASP HB2 . . 3.970 3.517 2.034 3.746 . 0 0 "[ . 1 . 2]" 1
494 1 33 VAL MG2 1 55 ASP HB2 . . 3.960 3.122 2.969 3.341 . 0 0 "[ . 1 . 2]" 1
495 1 55 ASP H 1 55 ASP HB3 . . 3.760 2.348 2.190 3.491 . 0 0 "[ . 1 . 2]" 1
496 1 33 VAL MG2 1 55 ASP HB3 . . 3.960 2.891 2.720 3.842 . 0 0 "[ . 1 . 2]" 1
497 1 10 ILE H 1 10 ILE HB . . 3.550 2.482 2.443 2.547 . 0 0 "[ . 1 . 2]" 1
498 1 10 ILE HB 1 10 ILE MD . . 2.890 2.196 2.059 2.284 . 0 0 "[ . 1 . 2]" 1
499 1 10 ILE HB 1 25 LEU HG . . 4.850 4.824 4.722 4.854 0.004 3 0 "[ . 1 . 2]" 1
500 1 67 LEU HB2 1 74 ALA MB . . 2.970 2.431 2.258 2.544 . 0 0 "[ . 1 . 2]" 1
501 1 67 LEU HB2 1 67 LEU MD2 . . 3.380 3.187 3.181 3.192 . 0 0 "[ . 1 . 2]" 1
502 1 67 LEU HB2 1 72 VAL MG1 . . 3.410 3.223 3.136 3.310 . 0 0 "[ . 1 . 2]" 1
503 1 67 LEU HB3 1 74 ALA MB . . 2.890 2.599 2.369 2.781 . 0 0 "[ . 1 . 2]" 1
504 1 67 LEU HB3 1 67 LEU MD2 . . 3.180 2.296 2.236 2.336 . 0 0 "[ . 1 . 2]" 1
505 1 67 LEU HB3 1 67 LEU MD1 . . 3.560 2.284 2.237 2.339 . 0 0 "[ . 1 . 2]" 1
506 1 22 LEU HB2 1 35 THR HB . . 3.570 2.038 1.998 2.101 . 0 0 "[ . 1 . 2]" 1
507 1 22 LEU MD1 1 35 THR HB . . 3.460 2.045 1.932 2.173 . 0 0 "[ . 1 . 2]" 1
508 1 43 THR HB 1 45 LYS HB3 . . 4.690 3.570 2.896 4.570 . 0 0 "[ . 1 . 2]" 1
509 1 43 THR HB 1 45 LYS HG2 . . 4.000 2.733 2.008 3.996 . 0 0 "[ . 1 . 2]" 1
510 1 43 THR HB 1 45 LYS HG3 . . 4.000 3.129 2.051 3.960 . 0 0 "[ . 1 . 2]" 1
511 1 29 TYR HB3 1 63 ALA MB . . 3.690 3.353 3.223 3.461 . 0 0 "[ . 1 . 2]" 1
512 1 29 TYR HB2 1 63 ALA MB . . 3.730 3.570 3.504 3.664 . 0 0 "[ . 1 . 2]" 1
513 1 23 VAL MG1 1 32 ILE HB . . 4.460 3.202 3.005 3.404 . 0 0 "[ . 1 . 2]" 1
514 1 31 LYS HA 1 32 ILE HB . . 4.860 4.646 4.588 4.697 . 0 0 "[ . 1 . 2]" 1
515 1 32 ILE HB 1 32 ILE MD . . 3.240 2.535 2.397 2.597 . 0 0 "[ . 1 . 2]" 1
516 1 38 ILE HB 1 49 TYR QD . . 4.280 2.322 2.004 2.599 . 0 0 "[ . 1 . 2]" 1
517 1 17 THR HB 1 46 CYS HB2 . . 4.120 3.231 2.697 3.853 . 0 0 "[ . 1 . 2]" 1
518 1 17 THR HB 1 46 CYS HB3 . . 4.120 3.655 3.326 3.992 . 0 0 "[ . 1 . 2]" 1
519 1 13 LEU MD1 1 17 THR HB . . 4.380 3.533 3.387 3.672 . 0 0 "[ . 1 . 2]" 1
520 1 9 TYR QD 1 11 ARG HG2 . . 4.410 3.113 2.638 3.422 . 0 0 "[ . 1 . 2]" 1
521 1 9 TYR QD 1 77 ALA MB . . 4.730 3.311 3.141 3.466 . 0 0 "[ . 1 . 2]" 1
522 1 9 TYR QD 1 10 ILE H . . 4.350 3.993 3.754 4.160 . 0 0 "[ . 1 . 2]" 1
523 1 9 TYR QD 1 75 GLN H . . 4.820 4.478 4.207 4.709 . 0 0 "[ . 1 . 2]" 1
524 1 9 TYR HA 1 9 TYR QD . . 3.850 3.011 2.844 3.094 . 0 0 "[ . 1 . 2]" 1
525 1 62 LYS HA 1 65 THR HB . . 4.060 3.080 2.995 3.187 . 0 0 "[ . 1 . 2]" 1
526 1 29 TYR QD 1 63 ALA HA . . 4.010 2.021 2.002 2.061 . 0 0 "[ . 1 . 2]" 1
527 1 29 TYR QD 1 63 ALA MB . . 3.660 2.753 2.545 2.918 . 0 0 "[ . 1 . 2]" 1
528 1 8 LEU MD1 1 52 VAL HB . . 3.100 2.094 2.012 2.239 . 0 0 "[ . 1 . 2]" 1
529 1 52 VAL H 1 52 VAL HB . . 3.860 2.872 2.751 2.995 . 0 0 "[ . 1 . 2]" 1
530 1 8 LEU HG 1 52 VAL HB . . 4.050 4.005 3.927 4.047 . 0 0 "[ . 1 . 2]" 1
531 1 10 ILE MD 1 52 VAL HB . . 4.180 3.265 3.080 3.430 . 0 0 "[ . 1 . 2]" 1
532 1 54 PHE QD 1 60 ALA MB . . 3.470 2.796 2.538 3.037 . 0 0 "[ . 1 . 2]" 1
533 1 64 VAL HA 1 67 LEU H . . 4.390 4.162 4.083 4.204 . 0 0 "[ . 1 . 2]" 1
534 1 64 VAL HA 1 67 LEU HB2 . . 3.550 2.712 2.563 2.821 . 0 0 "[ . 1 . 2]" 1
535 1 64 VAL HA 1 74 ALA MB . . 3.370 2.418 2.261 2.527 . 0 0 "[ . 1 . 2]" 1
536 1 63 ALA MB 1 64 VAL HA . . 3.910 3.675 3.592 3.730 . 0 0 "[ . 1 . 2]" 1
537 1 64 VAL HA 1 64 VAL MG1 . . 2.930 2.449 2.419 2.482 . 0 0 "[ . 1 . 2]" 1
538 1 64 VAL HA 1 64 VAL MG2 . . 2.940 2.286 2.207 2.382 . 0 0 "[ . 1 . 2]" 1
539 1 64 VAL HA 1 67 LEU MD1 . . 3.870 3.157 2.792 3.280 . 0 0 "[ . 1 . 2]" 1
540 1 26 CYS HB3 1 54 PHE QE . . 4.310 3.139 2.928 3.316 . 0 0 "[ . 1 . 2]" 1
541 1 8 LEU MD1 1 54 PHE QE . . 4.010 1.961 1.841 2.233 . 0 0 "[ . 1 . 2]" 1
542 1 23 VAL HA 1 35 THR MG . . 3.070 2.362 2.250 2.525 . 0 0 "[ . 1 . 2]" 1
543 1 23 VAL HA 1 23 VAL MG2 . . 2.980 2.248 2.132 2.364 . 0 0 "[ . 1 . 2]" 1
544 1 23 VAL HA 1 23 VAL MG1 . . 3.140 2.477 2.436 2.531 . 0 0 "[ . 1 . 2]" 1
545 1 23 VAL HA 1 32 ILE MG . . 3.600 2.887 2.672 3.034 . 0 0 "[ . 1 . 2]" 1
546 1 23 VAL HA 1 32 ILE MD . . 3.330 2.164 2.003 2.268 . 0 0 "[ . 1 . 2]" 1
547 1 65 THR HA 1 68 LYS H . . 4.410 4.343 4.257 4.403 . 0 0 "[ . 1 . 2]" 1
548 1 65 THR HA 1 68 LYS QB . . 3.550 3.271 3.161 3.361 . 0 0 "[ . 1 . 2]" 1
549 1 65 THR HA 1 65 THR MG . . 3.190 2.383 2.233 2.467 . 0 0 "[ . 1 . 2]" 1
550 1 64 VAL MG1 1 65 THR HA . . 3.990 3.443 3.265 3.556 . 0 0 "[ . 1 . 2]" 1
551 1 79 GLN HA 1 79 GLN QG . . 3.770 2.629 2.022 3.351 . 0 0 "[ . 1 . 2]" 1
552 1 75 GLN HA 1 75 GLN HG3 . . 4.060 3.772 3.584 3.915 . 0 0 "[ . 1 . 2]" 1
553 1 73 GLN H 1 73 GLN HG3 . . 3.870 2.764 2.278 3.148 . 0 0 "[ . 1 . 2]" 1
554 1 47 LYS HB2 1 49 TYR QD . . 4.580 2.914 2.571 3.218 . 0 0 "[ . 1 . 2]" 1
555 1 47 LYS HB2 1 47 LYS QE . . 4.770 3.505 3.190 3.895 . 0 0 "[ . 1 . 2]" 1
556 1 47 LYS HB2 1 47 LYS QD . . 3.560 2.367 1.970 3.186 . 0 0 "[ . 1 . 2]" 1
557 1 14 GLN H 1 14 GLN HG2 . . 4.940 3.746 3.525 4.274 . 0 0 "[ . 1 . 2]" 1
558 1 14 GLN H 1 14 GLN HG3 . . 4.940 3.817 2.773 4.143 . 0 0 "[ . 1 . 2]" 1
559 1 14 GLN HA 1 14 GLN HG3 . . 4.070 3.361 2.449 3.567 . 0 0 "[ . 1 . 2]" 1
560 1 75 GLN HB3 1 76 MET H . . 4.380 3.487 2.288 3.963 . 0 0 "[ . 1 . 2]" 1
561 1 17 THR HA 1 17 THR MG . . 3.170 2.341 2.244 2.497 . 0 0 "[ . 1 . 2]" 1
562 1 54 PHE HZ 1 63 ALA MB . . 3.740 3.605 3.354 3.730 . 0 0 "[ . 1 . 2]" 1
563 1 11 ARG HB3 1 73 GLN QB . . 3.780 3.658 3.516 3.757 . 0 0 "[ . 1 . 2]" 1
564 1 42 THR HA 1 42 THR MG . . 3.420 2.280 1.959 2.451 . 0 0 "[ . 1 . 2]" 1
565 1 6 SER HB2 1 57 PRO HA . . 4.420 3.938 3.733 4.420 0.000 5 0 "[ . 1 . 2]" 1
566 1 6 SER HB3 1 57 PRO HA . . 4.420 3.127 2.826 3.425 . 0 0 "[ . 1 . 2]" 1
567 1 57 PRO HA 1 76 MET ME . . 4.810 3.556 3.152 3.839 . 0 0 "[ . 1 . 2]" 1
568 1 57 PRO HA 1 60 ALA MB . . 3.470 2.830 2.626 3.059 . 0 0 "[ . 1 . 2]" 1
569 1 33 VAL H 1 33 VAL HB . . 3.520 2.728 2.624 2.881 . 0 0 "[ . 1 . 2]" 1
570 1 31 LYS HB3 1 55 ASP HB3 . . 3.970 2.235 2.006 3.697 . 0 0 "[ . 1 . 2]" 1
571 1 62 LYS HB2 1 63 ALA H . . 3.750 3.651 3.490 3.746 . 0 0 "[ . 1 . 2]" 1
572 1 62 LYS H 1 62 LYS HB2 . . 2.800 2.194 2.165 2.218 . 0 0 "[ . 1 . 2]" 1
573 1 31 LYS H 1 31 LYS HB2 . . 3.480 2.240 2.175 2.432 . 0 0 "[ . 1 . 2]" 1
574 1 70 SER H 1 70 SER HB3 . . 3.640 3.099 3.050 3.124 . 0 0 "[ . 1 . 2]" 1
575 1 67 LEU MD2 1 70 SER HB2 . . 4.330 3.618 3.485 3.800 . 0 0 "[ . 1 . 2]" 1
576 1 70 SER HB2 1 72 VAL MG1 . . 4.510 3.348 3.102 3.498 . 0 0 "[ . 1 . 2]" 1
577 1 6 SER HB2 1 60 ALA MB . . 4.120 3.317 3.095 3.616 . 0 0 "[ . 1 . 2]" 1
578 1 5 SER QB 1 76 MET ME . . 3.660 3.074 2.695 3.574 . 0 0 "[ . 1 . 2]" 1
579 1 64 VAL MG2 1 76 MET HG2 . . 4.110 2.526 2.025 3.151 . 0 0 "[ . 1 . 2]" 1
580 1 64 VAL MG2 1 76 MET HG3 . . 4.110 3.751 3.329 4.110 . 16 0 "[ . 1 . 2]" 1
581 1 24 LYS H 1 24 LYS QB . . 2.800 2.251 2.156 2.413 . 0 0 "[ . 1 . 2]" 1
582 1 41 LYS QB 1 41 LYS QE . . 4.270 3.234 2.266 3.763 . 0 0 "[ . 1 . 2]" 1
583 1 33 VAL HA 1 33 VAL MG2 . . 3.210 2.524 2.448 2.616 . 0 0 "[ . 1 . 2]" 1
584 1 64 VAL H 1 64 VAL HB . . 3.240 2.586 2.526 2.642 . 0 0 "[ . 1 . 2]" 1
585 1 61 GLN HA 1 64 VAL HB . . 3.760 2.741 2.609 2.803 . 0 0 "[ . 1 . 2]" 1
586 1 58 SER QB 1 59 ALA H . . 4.040 3.280 2.925 3.734 . 0 0 "[ . 1 . 2]" 1
587 1 25 LEU HB3 1 26 CYS HB3 . . 5.240 5.024 4.979 5.070 . 0 0 "[ . 1 . 2]" 1
588 1 26 CYS H 1 26 CYS HB3 . . 4.120 3.923 3.864 3.975 . 0 0 "[ . 1 . 2]" 1
589 1 26 CYS HB3 1 29 TYR QD . . 3.610 3.533 3.479 3.598 . 0 0 "[ . 1 . 2]" 1
590 1 26 CYS HB3 1 32 ILE MD . . 3.800 3.606 3.414 3.749 . 0 0 "[ . 1 . 2]" 1
591 1 26 CYS HB2 1 54 PHE QE . . 3.820 2.559 2.328 2.723 . 0 0 "[ . 1 . 2]" 1
592 1 26 CYS HB2 1 54 PHE HZ . . 4.080 2.256 2.064 2.568 . 0 0 "[ . 1 . 2]" 1
593 1 25 LEU HB3 1 26 CYS HB2 . . 4.350 4.029 3.901 4.153 . 0 0 "[ . 1 . 2]" 1
594 1 26 CYS HB2 1 52 VAL MG2 . . 4.230 3.788 3.567 3.911 . 0 0 "[ . 1 . 2]" 1
595 1 26 CYS HB2 1 32 ILE MD . . 3.290 2.439 2.206 2.666 . 0 0 "[ . 1 . 2]" 1
596 1 43 THR HA 1 43 THR MG . . 3.210 2.216 2.086 2.372 . 0 0 "[ . 1 . 2]" 1
597 1 25 LEU HB3 1 26 CYS HA . . 4.630 4.484 4.389 4.587 . 0 0 "[ . 1 . 2]" 1
598 1 26 CYS HA 1 29 TYR QD . . 3.270 2.420 2.316 2.621 . 0 0 "[ . 1 . 2]" 1
599 1 26 CYS HA 1 28 PRO HD2 . . 3.640 3.215 3.187 3.259 . 0 0 "[ . 1 . 2]" 1
600 1 36 LYS H 1 52 VAL HA . . 3.580 3.515 3.346 3.581 0.001 8 0 "[ . 1 . 2]" 1
601 1 52 VAL HA 1 53 ASP H . . 3.060 2.150 2.141 2.156 . 0 0 "[ . 1 . 2]" 1
602 1 47 LYS QD 1 49 TYR QE . . 4.570 2.701 2.137 3.514 . 0 0 "[ . 1 . 2]" 1
603 1 31 LYS HA 1 31 LYS QD . . 3.960 3.744 3.659 3.893 . 0 0 "[ . 1 . 2]" 1
604 1 24 LYS HA 1 24 LYS QD . . 4.280 3.899 3.077 4.255 . 0 0 "[ . 1 . 2]" 1
605 1 40 ASP HB3 1 47 LYS QD . . 4.680 4.435 4.061 4.678 . 0 0 "[ . 1 . 2]" 1
606 1 58 SER HA 1 61 GLN QB . . 3.510 3.276 3.180 3.492 . 0 0 "[ . 1 . 2]" 1
607 1 15 PRO HA 1 45 LYS HD2 . . 5.500 4.410 2.976 5.176 . 0 0 "[ . 1 . 2]" 1
608 1 45 LYS HA 1 45 LYS HD2 . . 5.500 4.685 4.077 5.440 . 0 0 "[ . 1 . 2]" 1
609 1 38 ILE HA 1 39 LEU H . . 2.910 2.148 2.140 2.165 . 0 0 "[ . 1 . 2]" 1
610 1 38 ILE HA 1 39 LEU HG . . 3.880 3.603 3.349 3.876 . 0 0 "[ . 1 . 2]" 1
611 1 38 ILE HA 1 38 ILE HG12 . . 3.450 3.372 3.232 3.450 . 0 0 "[ . 1 . 2]" 1
612 1 38 ILE HA 1 38 ILE MG . . 3.300 2.239 2.144 2.339 . 0 0 "[ . 1 . 2]" 1
613 1 32 ILE HA 1 34 SER H . . 4.360 4.312 4.199 4.349 . 0 0 "[ . 1 . 2]" 1
614 1 32 ILE HA 1 32 ILE HG13 . . 3.970 3.160 3.023 3.272 . 0 0 "[ . 1 . 2]" 1
615 1 32 ILE HA 1 32 ILE HG12 . . 3.310 2.470 2.391 2.650 . 0 0 "[ . 1 . 2]" 1
616 1 32 ILE HA 1 32 ILE MG . . 3.250 2.431 2.354 2.464 . 0 0 "[ . 1 . 2]" 1
617 1 32 ILE HA 1 33 VAL H . . 3.030 2.146 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
618 1 32 ILE HA 1 32 ILE MD . . 3.900 3.764 3.681 3.885 . 0 0 "[ . 1 . 2]" 1
619 1 10 ILE HG12 1 25 LEU MD2 . . 3.180 2.745 2.292 3.062 . 0 0 "[ . 1 . 2]" 1
620 1 35 THR HA 1 53 ASP H . . 3.190 3.028 2.940 3.132 . 0 0 "[ . 1 . 2]" 1
621 1 35 THR HA 1 52 VAL HA . . 3.100 2.468 2.294 2.583 . 0 0 "[ . 1 . 2]" 1
622 1 35 THR HA 1 35 THR MG . . 3.500 2.195 2.101 2.385 . 0 0 "[ . 1 . 2]" 1
623 1 10 ILE HA 1 10 ILE MG . . 3.280 2.436 2.419 2.471 . 0 0 "[ . 1 . 2]" 1
624 1 10 ILE H 1 10 ILE HG13 . . 4.140 3.344 3.182 3.465 . 0 0 "[ . 1 . 2]" 1
625 1 10 ILE HG13 1 75 GLN H . . 4.770 4.030 3.776 4.346 . 0 0 "[ . 1 . 2]" 1
626 1 10 ILE HA 1 10 ILE HG13 . . 4.070 2.277 2.225 2.338 . 0 0 "[ . 1 . 2]" 1
627 1 8 LEU QB 1 10 ILE HG13 . . 4.090 3.866 3.581 4.040 . 0 0 "[ . 1 . 2]" 1
628 1 10 ILE HG13 1 74 ALA MB . . 3.280 2.195 1.947 2.437 . 0 0 "[ . 1 . 2]" 1
629 1 10 ILE HA 1 10 ILE HG12 . . 4.110 3.422 3.366 3.501 . 0 0 "[ . 1 . 2]" 1
630 1 10 ILE HG12 1 74 ALA MB . . 3.980 2.856 2.620 3.089 . 0 0 "[ . 1 . 2]" 1
631 1 10 ILE HG12 1 67 LEU MD2 . . 3.710 3.610 3.430 3.696 . 0 0 "[ . 1 . 2]" 1
632 1 68 LYS HA 1 69 ALA HA . . 4.910 4.768 4.742 4.789 . 0 0 "[ . 1 . 2]" 1
633 1 68 LYS HA 1 68 LYS HG2 . . 3.520 2.383 2.289 2.438 . 0 0 "[ . 1 . 2]" 1
634 1 32 ILE HG13 1 54 PHE QE . . 4.170 3.555 3.247 3.740 . 0 0 "[ . 1 . 2]" 1
635 1 32 ILE HG12 1 32 ILE MG . . 2.520 2.401 2.302 2.507 . 0 0 "[ . 1 . 2]" 1
636 1 8 LEU HG 1 54 PHE QD . . 4.090 3.510 3.245 3.866 . 0 0 "[ . 1 . 2]" 1
637 1 24 LYS HA 1 27 GLN HB3 . . 3.830 2.069 2.008 2.140 . 0 0 "[ . 1 . 2]" 1
638 1 62 LYS HA 1 62 LYS HG3 . . 3.550 2.580 2.442 2.716 . 0 0 "[ . 1 . 2]" 1
639 1 24 LYS HA 1 24 LYS HG3 . . 3.760 2.622 2.179 3.542 . 0 0 "[ . 1 . 2]" 1
640 1 62 LYS HA 1 62 LYS HG2 . . 3.980 2.672 2.519 2.835 . 0 0 "[ . 1 . 2]" 1
641 1 24 LYS HA 1 27 GLN HG2 . . 4.870 4.117 3.949 4.345 . 0 0 "[ . 1 . 2]" 1
642 1 24 LYS HA 1 24 LYS HG2 . . 3.760 2.984 2.477 3.762 0.002 12 0 "[ . 1 . 2]" 1
643 1 14 GLN HB3 1 15 PRO HD2 . . 3.390 2.040 1.999 2.119 . 0 0 "[ . 1 . 2]" 1
644 1 14 GLN H 1 14 GLN HB2 . . 4.130 2.387 2.277 2.592 . 0 0 "[ . 1 . 2]" 1
645 1 66 ALA MB 1 67 LEU HG . . 3.660 3.461 3.307 3.538 . 0 0 "[ . 1 . 2]" 1
646 1 27 GLN HB3 1 32 ILE MD . . 4.290 3.889 3.794 3.986 . 0 0 "[ . 1 . 2]" 1
647 1 38 ILE H 1 38 ILE HG13 . . 4.020 3.578 3.516 3.633 . 0 0 "[ . 1 . 2]" 1
648 1 9 TYR QD 1 11 ARG HG3 . . 3.940 2.250 2.053 2.518 . 0 0 "[ . 1 . 2]" 1
649 1 11 ARG HG3 1 73 GLN QB . . 3.960 3.614 2.984 3.926 . 0 0 "[ . 1 . 2]" 1
650 1 11 ARG H 1 11 ARG HG3 . . 4.060 2.484 2.179 2.744 . 0 0 "[ . 1 . 2]" 1
651 1 11 ARG HB2 1 11 ARG HG3 . . 2.920 2.714 2.479 2.857 . 0 0 "[ . 1 . 2]" 1
652 1 11 ARG HG2 1 73 GLN QB . . 4.350 4.247 3.974 4.360 0.010 20 0 "[ . 1 . 2]" 1
653 1 8 LEU HA 1 8 LEU MD1 . . 4.490 3.938 3.913 3.964 . 0 0 "[ . 1 . 2]" 1
654 1 8 LEU MD1 1 76 MET ME . . 4.190 3.997 3.807 4.152 . 0 0 "[ . 1 . 2]" 1
655 1 8 LEU MD1 1 60 ALA MB . . 4.000 2.486 2.108 2.829 . 0 0 "[ . 1 . 2]" 1
656 1 8 LEU MD1 1 67 LEU MD1 . . 3.870 3.593 3.305 3.833 . 0 0 "[ . 1 . 2]" 1
657 1 8 LEU MD1 1 64 VAL H . . 4.700 3.974 3.620 4.358 . 0 0 "[ . 1 . 2]" 1
658 1 27 GLN HA 1 32 ILE HG13 . . 4.250 2.798 2.516 3.242 . 0 0 "[ . 1 . 2]" 1
659 1 27 GLN HA 1 32 ILE HG12 . . 4.240 4.028 3.794 4.235 . 0 0 "[ . 1 . 2]" 1
660 1 15 PRO HA 1 46 CYS HB2 . . 3.970 3.319 2.635 3.769 . 0 0 "[ . 1 . 2]" 1
661 1 39 LEU MD2 1 46 CYS HB2 . . 4.270 2.770 2.421 3.305 . 0 0 "[ . 1 . 2]" 1
662 1 15 PRO HA 1 46 CYS HB3 . . 3.970 2.253 2.010 3.127 . 0 0 "[ . 1 . 2]" 1
663 1 39 LEU MD2 1 46 CYS HB3 . . 4.270 3.928 3.702 4.132 . 0 0 "[ . 1 . 2]" 1
664 1 20 GLN HA 1 23 VAL MG2 . . 3.160 2.562 2.180 2.866 . 0 0 "[ . 1 . 2]" 1
665 1 20 GLN HA 1 20 GLN HG2 . . 3.480 2.930 2.225 3.473 . 0 0 "[ . 1 . 2]" 1
666 1 20 GLN HA 1 20 GLN HG3 . . 3.480 2.549 2.109 3.338 . 0 0 "[ . 1 . 2]" 1
667 1 20 GLN HA 1 23 VAL HB . . 3.350 2.864 2.755 2.976 . 0 0 "[ . 1 . 2]" 1
668 1 19 ASP HA 1 22 LEU HG . . 4.170 3.044 2.594 3.365 . 0 0 "[ . 1 . 2]" 1
669 1 61 GLN HA 1 61 GLN QG . . 3.470 2.308 2.243 2.420 . 0 0 "[ . 1 . 2]" 1
670 1 25 LEU HA 1 25 LEU HG . . 4.260 2.804 2.636 2.940 . 0 0 "[ . 1 . 2]" 1
671 1 19 ASP HA 1 37 ALA H . . 4.240 3.622 3.364 4.104 . 0 0 "[ . 1 . 2]" 1
672 1 19 ASP HA 1 37 ALA MB . . 3.680 2.924 2.495 3.390 . 0 0 "[ . 1 . 2]" 1
673 1 19 ASP HA 1 22 LEU HB2 . . 3.870 3.565 3.288 3.860 . 0 0 "[ . 1 . 2]" 1
674 1 10 ILE HG13 1 67 LEU MD1 . . 4.400 2.654 2.436 2.773 . 0 0 "[ . 1 . 2]" 1
675 1 67 LEU HB2 1 67 LEU MD1 . . 3.050 2.379 2.278 2.426 . 0 0 "[ . 1 . 2]" 1
676 1 63 ALA MB 1 67 LEU MD1 . . 3.120 1.972 1.927 2.142 . 0 0 "[ . 1 . 2]" 1
677 1 29 TYR HA 1 29 TYR QD . . 3.230 3.051 2.962 3.088 . 0 0 "[ . 1 . 2]" 1
678 1 19 ASP HA 1 36 LYS HA . . 4.910 4.533 4.305 4.906 . 0 0 "[ . 1 . 2]" 1
679 1 8 LEU MD2 1 60 ALA HA . . 4.080 2.936 2.635 3.232 . 0 0 "[ . 1 . 2]" 1
680 1 8 LEU MD2 1 54 PHE QD . . 4.570 4.304 4.002 4.441 . 0 0 "[ . 1 . 2]" 1
681 1 8 LEU MD2 1 54 PHE QE . . 4.860 4.247 3.981 4.411 . 0 0 "[ . 1 . 2]" 1
682 1 8 LEU MD2 1 60 ALA MB . . 3.580 2.048 1.840 2.288 . 0 0 "[ . 1 . 2]" 1
683 1 8 LEU MD2 1 74 ALA MB . . 3.620 3.564 3.429 3.627 0.007 17 0 "[ . 1 . 2]" 1
684 1 8 LEU MD2 1 63 ALA MB . . 3.510 2.499 2.202 2.760 . 0 0 "[ . 1 . 2]" 1
685 1 10 ILE MD 1 67 LEU MD1 . . 2.550 2.504 2.389 2.552 0.002 3 0 "[ . 1 . 2]" 1
686 1 19 ASP HA 1 22 LEU MD1 . . 3.640 2.622 2.170 3.197 . 0 0 "[ . 1 . 2]" 1
687 1 22 LEU HB3 1 22 LEU MD1 . . 2.980 2.280 2.131 2.451 . 0 0 "[ . 1 . 2]" 1
688 1 22 LEU MD1 1 37 ALA MB . . 3.180 2.022 1.877 2.140 . 0 0 "[ . 1 . 2]" 1
689 1 13 LEU MD1 1 50 GLY H . . 4.170 2.330 2.032 2.660 . 0 0 "[ . 1 . 2]" 1
690 1 13 LEU HB2 1 13 LEU MD1 . . 2.980 2.466 2.400 2.522 . 0 0 "[ . 1 . 2]" 1
691 1 21 ASP HA 1 24 LYS H . . 3.810 3.667 3.561 3.765 . 0 0 "[ . 1 . 2]" 1
692 1 21 ASP HA 1 24 LYS QB . . 3.410 3.108 2.934 3.413 0.003 3 0 "[ . 1 . 2]" 1
693 1 67 LEU HA 1 67 LEU HG . . 3.210 3.116 3.085 3.161 . 0 0 "[ . 1 . 2]" 1
694 1 66 ALA MB 1 67 LEU HA . . 3.670 3.544 3.533 3.564 . 0 0 "[ . 1 . 2]" 1
695 1 67 LEU HA 1 67 LEU MD2 . . 2.950 2.165 2.112 2.239 . 0 0 "[ . 1 . 2]" 1
696 1 67 LEU HA 1 67 LEU MD1 . . 4.160 3.850 3.828 3.882 . 0 0 "[ . 1 . 2]" 1
697 1 64 VAL MG2 1 68 LYS HG3 . . 4.490 4.463 4.357 4.492 0.002 16 0 "[ . 1 . 2]" 1
698 1 68 LYS HA 1 68 LYS HG3 . . 4.140 2.868 2.805 3.119 . 0 0 "[ . 1 . 2]" 1
699 1 68 LYS QB 1 68 LYS HG3 . . 2.400 2.320 2.254 2.346 . 0 0 "[ . 1 . 2]" 1
700 1 68 LYS QB 1 68 LYS HG2 . . 2.630 2.365 2.339 2.430 . 0 0 "[ . 1 . 2]" 1
701 1 38 ILE MG 1 47 LYS HG2 . . 5.500 4.253 3.592 4.727 . 0 0 "[ . 1 . 2]" 1
702 1 38 ILE MG 1 47 LYS HG3 . . 5.500 3.455 2.161 4.339 . 0 0 "[ . 1 . 2]" 1
703 1 40 ASP HB3 1 47 LYS HG2 . . 5.500 4.616 3.936 5.442 . 0 0 "[ . 1 . 2]" 1
704 1 40 ASP HB3 1 47 LYS HG3 . . 5.500 4.614 3.705 5.489 . 0 0 "[ . 1 . 2]" 1
705 1 22 LEU HA 1 25 LEU MD2 . . 3.840 2.718 2.326 3.102 . 0 0 "[ . 1 . 2]" 1
706 1 22 LEU HA 1 25 LEU HB2 . . 3.490 2.283 2.183 2.372 . 0 0 "[ . 1 . 2]" 1
707 1 22 LEU HA 1 22 LEU HG . . 3.500 3.213 3.086 3.367 . 0 0 "[ . 1 . 2]" 1
708 1 22 LEU HA 1 22 LEU MD2 . . 3.030 2.059 1.961 2.310 . 0 0 "[ . 1 . 2]" 1
709 1 62 LYS HD3 1 62 LYS HG3 . . 2.880 2.668 2.622 2.722 . 0 0 "[ . 1 . 2]" 1
710 1 33 VAL H 1 54 PHE HA . . 3.640 2.266 2.065 2.354 . 0 0 "[ . 1 . 2]" 1
711 1 54 PHE HA 1 55 ASP H . . 3.310 2.396 2.335 2.453 . 0 0 "[ . 1 . 2]" 1
712 1 54 PHE HA 1 54 PHE QD . . 3.760 3.032 2.946 3.073 . 0 0 "[ . 1 . 2]" 1
713 1 32 ILE HA 1 54 PHE HA . . 3.240 2.186 2.021 2.353 . 0 0 "[ . 1 . 2]" 1
714 1 33 VAL MG2 1 54 PHE HA . . 4.110 2.701 2.292 2.901 . 0 0 "[ . 1 . 2]" 1
715 1 47 LYS HA 1 47 LYS HG2 . . 3.740 2.702 2.395 2.958 . 0 0 "[ . 1 . 2]" 1
716 1 47 LYS HA 1 47 LYS HG3 . . 3.740 2.911 2.300 3.695 . 0 0 "[ . 1 . 2]" 1
717 1 25 LEU HA 1 25 LEU MD1 . . 3.060 1.995 1.946 2.126 . 0 0 "[ . 1 . 2]" 1
718 1 62 LYS H 1 62 LYS HG3 . . 4.150 4.100 4.060 4.133 . 0 0 "[ . 1 . 2]" 1
719 1 25 LEU HA 1 25 LEU MD2 . . 4.170 3.776 3.738 3.799 . 0 0 "[ . 1 . 2]" 1
720 1 25 LEU HB3 1 25 LEU MD2 . . 3.400 2.367 2.182 2.507 . 0 0 "[ . 1 . 2]" 1
721 1 39 LEU MD1 1 44 ASN HA . . 4.330 4.136 3.746 4.313 . 0 0 "[ . 1 . 2]" 1
722 1 39 LEU HB2 1 39 LEU MD1 . . 2.900 2.161 1.959 2.341 . 0 0 "[ . 1 . 2]" 1
723 1 31 LYS HG3 1 32 ILE H . . 4.590 3.519 3.290 3.724 . 0 0 "[ . 1 . 2]" 1
724 1 78 LYS H 1 78 LYS QG . . 4.590 3.539 2.053 4.402 . 0 0 "[ . 1 . 2]" 1
725 1 31 LYS HA 1 31 LYS HG3 . . 3.510 2.131 2.084 2.241 . 0 0 "[ . 1 . 2]" 1
726 1 31 LYS HG2 1 32 ILE H . . 4.340 3.722 3.449 4.121 . 0 0 "[ . 1 . 2]" 1
727 1 62 LYS HD3 1 62 LYS HG2 . . 2.870 2.271 2.245 2.297 . 0 0 "[ . 1 . 2]" 1
728 1 78 LYS HA 1 78 LYS QG . . 3.550 2.410 2.004 3.383 . 0 0 "[ . 1 . 2]" 1
729 1 64 VAL MG2 1 75 GLN HA . . 3.510 2.949 2.566 3.487 . 0 0 "[ . 1 . 2]" 1
730 1 61 GLN HA 1 64 VAL MG2 . . 4.260 2.957 2.772 3.175 . 0 0 "[ . 1 . 2]" 1
731 1 8 LEU HG 1 64 VAL MG2 . . 4.230 4.074 3.854 4.192 . 0 0 "[ . 1 . 2]" 1
732 1 8 LEU QB 1 64 VAL MG2 . . 3.440 3.350 3.219 3.443 0.003 10 0 "[ . 1 . 2]" 1
733 1 60 ALA MB 1 64 VAL MG2 . . 4.180 3.551 3.460 3.719 . 0 0 "[ . 1 . 2]" 1
734 1 31 LYS HA 1 32 ILE H . . 2.800 2.144 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
735 1 51 PHE HA 1 52 VAL H . . 3.070 2.224 2.169 2.318 . 0 0 "[ . 1 . 2]" 1
736 1 51 PHE HA 1 51 PHE QD . . 3.800 3.003 2.893 3.036 . 0 0 "[ . 1 . 2]" 1
737 1 9 TYR HA 1 51 PHE HA . . 3.670 2.798 2.725 2.915 . 0 0 "[ . 1 . 2]" 1
738 1 36 LYS HB3 1 36 LYS QG . . 2.710 2.164 2.155 2.167 . 0 0 "[ . 1 . 2]" 1
739 1 36 LYS QG 1 37 ALA H . . 4.210 3.536 3.345 3.735 . 0 0 "[ . 1 . 2]" 1
740 1 36 LYS HA 1 36 LYS QG . . 3.530 3.052 2.948 3.093 . 0 0 "[ . 1 . 2]" 1
741 1 35 THR MG 1 36 LYS H . . 4.280 3.631 3.421 3.793 . 0 0 "[ . 1 . 2]" 1
742 1 35 THR MG 1 53 ASP H . . 4.150 3.346 3.124 3.631 . 0 0 "[ . 1 . 2]" 1
743 1 35 THR MG 1 52 VAL HA . . 3.100 2.243 2.000 2.611 . 0 0 "[ . 1 . 2]" 1
744 1 22 LEU HB2 1 35 THR MG . . 3.850 2.330 2.140 2.489 . 0 0 "[ . 1 . 2]" 1
745 1 32 ILE HB 1 35 THR MG . . 4.480 4.095 3.690 4.302 . 0 0 "[ . 1 . 2]" 1
746 1 35 THR MG 1 52 VAL HB . . 4.930 4.143 3.818 4.387 . 0 0 "[ . 1 . 2]" 1
747 1 22 LEU MD1 1 35 THR MG . . 3.940 3.236 3.010 3.404 . 0 0 "[ . 1 . 2]" 1
748 1 32 ILE MD 1 35 THR MG . . 2.960 2.862 2.774 2.957 . 0 0 "[ . 1 . 2]" 1
749 1 9 TYR HA 1 10 ILE H . . 3.130 2.186 2.171 2.196 . 0 0 "[ . 1 . 2]" 1
750 1 10 ILE HA 1 74 ALA MB . . 4.190 3.175 3.045 3.317 . 0 0 "[ . 1 . 2]" 1
751 1 8 LEU QB 1 74 ALA MB . . 3.900 3.831 3.681 3.904 0.004 6 0 "[ . 1 . 2]" 1
752 1 68 LYS HG3 1 74 ALA MB . . 3.320 3.007 2.770 3.150 . 0 0 "[ . 1 . 2]" 1
753 1 56 SER HA 1 57 PRO HD2 . . 2.660 2.352 2.273 2.475 . 0 0 "[ . 1 . 2]" 1
754 1 56 SER HA 1 57 PRO HD3 . . 2.680 2.282 2.261 2.330 . 0 0 "[ . 1 . 2]" 1
755 1 73 GLN HA 1 73 GLN HG3 . . 3.730 3.470 3.173 3.673 . 0 0 "[ . 1 . 2]" 1
756 1 25 LEU HB3 1 67 LEU MD2 . . 4.680 4.533 4.326 4.675 . 0 0 "[ . 1 . 2]" 1
757 1 25 LEU HG 1 67 LEU MD2 . . 3.480 3.093 2.926 3.267 . 0 0 "[ . 1 . 2]" 1
758 1 33 VAL MG2 1 55 ASP HA . . 3.220 2.049 1.908 2.231 . 0 0 "[ . 1 . 2]" 1
759 1 33 VAL MG1 1 55 ASP HA . . 4.170 3.885 3.478 4.073 . 0 0 "[ . 1 . 2]" 1
760 1 39 LEU HB3 1 44 ASN HA . . 3.930 2.655 2.486 2.831 . 0 0 "[ . 1 . 2]" 1
761 1 13 LEU MD2 1 25 LEU MD1 . . 4.130 3.620 3.473 3.950 . 0 0 "[ . 1 . 2]" 1
762 1 22 LEU MD2 1 25 LEU MD1 . . 4.480 3.819 3.282 4.090 . 0 0 "[ . 1 . 2]" 1
763 1 26 CYS HA 1 29 TYR QE . . 3.880 3.217 3.099 3.400 . 0 0 "[ . 1 . 2]" 1
764 1 29 TYR QE 1 63 ALA HA . . 4.280 2.537 2.320 2.675 . 0 0 "[ . 1 . 2]" 1
765 1 29 TYR QE 1 67 LEU HG . . 4.020 3.250 3.095 3.328 . 0 0 "[ . 1 . 2]" 1
766 1 29 TYR QE 1 66 ALA MB . . 3.400 2.165 2.008 2.361 . 0 0 "[ . 1 . 2]" 1
767 1 29 TYR QE 1 67 LEU MD2 . . 3.640 3.261 3.018 3.437 . 0 0 "[ . 1 . 2]" 1
768 1 29 TYR QE 1 67 LEU MD1 . . 4.470 4.402 4.268 4.469 . 0 0 "[ . 1 . 2]" 1
769 1 59 ALA HA 1 62 LYS H . . 4.220 3.687 3.550 3.827 . 0 0 "[ . 1 . 2]" 1
770 1 30 GLY HA3 1 59 ALA HA . . 4.420 4.370 4.094 4.434 0.014 17 0 "[ . 1 . 2]" 1
771 1 59 ALA HA 1 62 LYS HB3 . . 4.340 4.182 3.949 4.318 . 0 0 "[ . 1 . 2]" 1
772 1 59 ALA HA 1 62 LYS HB2 . . 3.430 3.230 3.078 3.387 . 0 0 "[ . 1 . 2]" 1
773 1 14 GLN HA 1 14 GLN HG2 . . 4.070 2.371 2.145 3.692 . 0 0 "[ . 1 . 2]" 1
774 1 63 ALA HA 1 66 ALA H . . 4.440 3.569 3.378 3.764 . 0 0 "[ . 1 . 2]" 1
775 1 22 LEU HB3 1 22 LEU MD2 . . 2.980 2.393 2.238 2.503 . 0 0 "[ . 1 . 2]" 1
776 1 22 LEU MD2 1 37 ALA MB . . 3.380 2.640 2.291 2.817 . 0 0 "[ . 1 . 2]" 1
777 1 11 ARG HB3 1 49 TYR QE . . 4.800 3.449 2.911 4.111 . 0 0 "[ . 1 . 2]" 1
778 1 38 ILE HB 1 49 TYR QE . . 5.000 4.338 3.980 4.674 . 0 0 "[ . 1 . 2]" 1
779 1 38 ILE MG 1 49 TYR QE . . 3.780 3.063 2.639 3.433 . 0 0 "[ . 1 . 2]" 1
780 1 49 TYR HA 1 50 GLY H . . 3.330 2.278 2.197 2.415 . 0 0 "[ . 1 . 2]" 1
781 1 49 TYR HA 1 49 TYR QD . . 4.030 2.921 2.741 3.210 . 0 0 "[ . 1 . 2]" 1
782 1 13 LEU HG 1 49 TYR HA . . 3.930 2.342 2.074 2.624 . 0 0 "[ . 1 . 2]" 1
783 1 13 LEU MD1 1 49 TYR HA . . 3.710 2.767 2.648 2.913 . 0 0 "[ . 1 . 2]" 1
784 1 45 LYS HA 1 45 LYS HG3 . . 4.130 3.519 2.914 3.880 . 0 0 "[ . 1 . 2]" 1
785 1 11 ARG HA 1 49 TYR HB2 . . 5.000 4.277 4.004 4.515 . 0 0 "[ . 1 . 2]" 1
786 1 11 ARG HA 1 49 TYR HA . . 3.450 2.114 2.022 2.213 . 0 0 "[ . 1 . 2]" 1
787 1 11 ARG HA 1 49 TYR HB3 . . 3.830 2.782 2.413 3.104 . 0 0 "[ . 1 . 2]" 1
788 1 11 ARG HA 1 11 ARG HG3 . . 3.770 2.786 2.563 3.210 . 0 0 "[ . 1 . 2]" 1
789 1 17 THR MG 1 22 LEU H . . 4.720 3.712 3.447 3.937 . 0 0 "[ . 1 . 2]" 1
790 1 17 THR MG 1 21 ASP HB2 . . 3.740 2.963 2.076 3.505 . 0 0 "[ . 1 . 2]" 1
791 1 17 THR MG 1 21 ASP HB3 . . 3.740 2.186 1.987 3.004 . 0 0 "[ . 1 . 2]" 1
792 1 17 THR MG 1 22 LEU HG . . 3.400 2.983 2.601 3.275 . 0 0 "[ . 1 . 2]" 1
793 1 13 LEU HB3 1 17 THR MG . . 3.470 3.026 2.784 3.401 . 0 0 "[ . 1 . 2]" 1
794 1 17 THR MG 1 37 ALA MB . . 2.640 2.530 2.100 2.639 . 0 0 "[ . 1 . 2]" 1
795 1 17 THR MG 1 22 LEU MD2 . . 2.930 2.162 1.840 2.355 . 0 0 "[ . 1 . 2]" 1
796 1 13 LEU MD1 1 17 THR MG . . 3.080 2.194 2.027 2.581 . 0 0 "[ . 1 . 2]" 1
797 1 35 THR HA 1 52 VAL MG2 . . 4.360 3.613 3.251 3.903 . 0 0 "[ . 1 . 2]" 1
798 1 52 VAL HA 1 52 VAL MG2 . . 3.280 2.360 2.217 2.494 . 0 0 "[ . 1 . 2]" 1
799 1 35 THR HB 1 52 VAL MG2 . . 3.520 3.372 2.935 3.517 . 0 0 "[ . 1 . 2]" 1
800 1 25 LEU HB3 1 52 VAL MG2 . . 3.610 2.986 2.819 3.170 . 0 0 "[ . 1 . 2]" 1
801 1 22 LEU HB3 1 52 VAL MG2 . . 3.110 2.155 2.014 2.331 . 0 0 "[ . 1 . 2]" 1
802 1 35 THR MG 1 52 VAL MG2 . . 3.070 2.275 1.911 2.531 . 0 0 "[ . 1 . 2]" 1
803 1 10 ILE MD 1 52 VAL MG2 . . 2.950 2.531 2.289 2.840 . 0 0 "[ . 1 . 2]" 1
804 1 22 LEU MD2 1 52 VAL MG2 . . 3.310 3.073 2.933 3.309 . 0 0 "[ . 1 . 2]" 1
805 1 39 LEU MD2 1 46 CYS HA . . 3.450 2.142 1.979 2.441 . 0 0 "[ . 1 . 2]" 1
806 1 37 ALA MB 1 39 LEU MD2 . . 3.440 2.136 1.957 2.433 . 0 0 "[ . 1 . 2]" 1
807 1 9 TYR QE 1 49 TYR HB2 . . 3.850 3.115 2.744 3.361 . 0 0 "[ . 1 . 2]" 1
808 1 9 TYR QE 1 11 ARG HG2 . . 4.310 2.313 2.006 2.697 . 0 0 "[ . 1 . 2]" 1
809 1 8 LEU HA 1 8 LEU MD2 . . 3.750 2.589 2.304 2.762 . 0 0 "[ . 1 . 2]" 1
810 1 8 LEU HA 1 9 TYR H . . 3.100 2.314 2.216 2.400 . 0 0 "[ . 1 . 2]" 1
811 1 11 ARG HA 1 11 ARG HG2 . . 3.850 3.072 2.739 3.364 . 0 0 "[ . 1 . 2]" 1
812 1 65 THR MG 1 68 LYS QB . . 4.470 4.306 4.191 4.474 0.004 15 0 "[ . 1 . 2]" 1
813 1 40 ASP HA 1 47 LYS QE . . 3.860 3.171 2.363 3.839 . 0 0 "[ . 1 . 2]" 1
814 1 13 LEU HA 1 13 LEU MD2 . . 3.060 2.065 1.984 2.155 . 0 0 "[ . 1 . 2]" 1
815 1 13 LEU HA 1 13 LEU MD1 . . 3.900 3.832 3.770 3.900 . 19 0 "[ . 1 . 2]" 1
816 1 65 THR MG 1 66 ALA H . . 4.170 3.329 3.023 3.480 . 0 0 "[ . 1 . 2]" 1
817 1 65 THR MG 1 69 ALA MB . . 4.400 4.230 3.942 4.396 . 0 0 "[ . 1 . 2]" 1
818 1 72 VAL H 1 72 VAL MG2 . . 4.260 3.869 3.795 3.909 . 0 0 "[ . 1 . 2]" 1
819 1 72 VAL MG2 1 74 ALA H . . 4.480 4.248 3.832 4.431 . 0 0 "[ . 1 . 2]" 1
820 1 64 VAL H 1 64 VAL MG1 . . 4.150 3.769 3.762 3.777 . 0 0 "[ . 1 . 2]" 1
821 1 64 VAL MG1 1 68 LYS H . . 4.520 3.908 3.770 4.056 . 0 0 "[ . 1 . 2]" 1
822 1 64 VAL MG1 1 75 GLN HA . . 3.840 2.603 2.256 2.974 . 0 0 "[ . 1 . 2]" 1
823 1 61 GLN HA 1 64 VAL MG1 . . 4.170 4.146 4.027 4.171 0.001 19 0 "[ . 1 . 2]" 1
824 1 64 VAL MG1 1 68 LYS HD2 . . 3.790 2.127 1.927 3.792 0.002 17 0 "[ . 1 . 2]" 1
825 1 64 VAL MG1 1 68 LYS HD3 . . 3.790 3.329 2.680 3.797 0.007 15 0 "[ . 1 . 2]" 1
826 1 64 VAL MG1 1 74 ALA MB . . 3.600 3.087 2.846 3.312 . 0 0 "[ . 1 . 2]" 1
827 1 18 THR H 1 18 THR MG . . 3.690 3.170 2.713 3.575 . 0 0 "[ . 1 . 2]" 1
828 1 18 THR HA 1 18 THR MG . . 3.100 2.156 1.969 2.423 . 0 0 "[ . 1 . 2]" 1
829 1 17 THR HA 1 18 THR MG . . 5.100 4.233 3.698 4.734 . 0 0 "[ . 1 . 2]" 1
830 1 23 VAL MG1 1 32 ILE HG13 . . 4.290 4.034 3.719 4.271 . 0 0 "[ . 1 . 2]" 1
831 1 23 VAL MG1 1 24 LYS H . . 3.980 3.178 3.039 3.281 . 0 0 "[ . 1 . 2]" 1
832 1 23 VAL MG1 1 24 LYS HA . . 3.250 3.177 3.076 3.246 . 0 0 "[ . 1 . 2]" 1
833 1 23 VAL MG1 1 27 GLN HB2 . . 3.700 2.085 1.971 2.193 . 0 0 "[ . 1 . 2]" 1
834 1 23 VAL MG1 1 27 GLN HB3 . . 3.700 3.396 3.315 3.467 . 0 0 "[ . 1 . 2]" 1
835 1 13 LEU HB2 1 13 LEU MD2 . . 3.270 3.177 3.170 3.188 . 0 0 "[ . 1 . 2]" 1
836 1 7 GLY HA3 1 53 ASP HA . . 3.790 3.678 3.593 3.726 . 0 0 "[ . 1 . 2]" 1
837 1 7 GLY HA2 1 53 ASP HA . . 2.530 2.047 1.992 2.110 . 0 0 "[ . 1 . 2]" 1
838 1 72 VAL MG1 1 73 GLN H . . 4.340 3.788 3.595 3.980 . 0 0 "[ . 1 . 2]" 1
839 1 70 SER HB3 1 72 VAL MG1 . . 3.070 2.701 2.264 2.991 . 0 0 "[ . 1 . 2]" 1
840 1 33 VAL HA 1 33 VAL MG1 . . 2.950 2.304 2.193 2.360 . 0 0 "[ . 1 . 2]" 1
841 1 52 VAL MG1 1 53 ASP H . . 3.740 3.002 2.784 3.099 . 0 0 "[ . 1 . 2]" 1
842 1 52 VAL MG1 1 54 PHE QE . . 3.600 1.929 1.817 2.095 . 0 0 "[ . 1 . 2]" 1
843 1 52 VAL HA 1 52 VAL MG1 . . 3.440 2.397 2.304 2.486 . 0 0 "[ . 1 . 2]" 1
844 1 26 CYS HB3 1 52 VAL MG1 . . 3.870 3.808 3.679 3.869 . 0 0 "[ . 1 . 2]" 1
845 1 26 CYS HB2 1 52 VAL MG1 . . 3.820 2.417 2.314 2.561 . 0 0 "[ . 1 . 2]" 1
846 1 33 VAL H 1 33 VAL MG2 . . 3.510 1.940 1.886 2.127 . 0 0 "[ . 1 . 2]" 1
847 1 33 VAL MG2 1 55 ASP H . . 4.240 2.596 2.324 2.721 . 0 0 "[ . 1 . 2]" 1
848 1 33 VAL MG2 1 56 SER H . . 4.990 3.993 3.802 4.230 . 0 0 "[ . 1 . 2]" 1
849 1 33 VAL MG2 1 53 ASP HB3 . . 3.770 3.201 2.840 3.467 . 0 0 "[ . 1 . 2]" 1
850 1 31 LYS HG2 1 33 VAL MG2 . . 4.660 4.404 4.212 4.649 . 0 0 "[ . 1 . 2]" 1
851 1 62 LYS H 1 63 ALA MB . . 4.980 4.504 4.409 4.581 . 0 0 "[ . 1 . 2]" 1
852 1 63 ALA MB 1 66 ALA H . . 5.370 4.658 4.477 4.836 . 0 0 "[ . 1 . 2]" 1
853 1 54 PHE QE 1 63 ALA MB . . 3.820 3.584 3.171 3.815 . 0 0 "[ . 1 . 2]" 1
854 1 60 ALA HA 1 63 ALA MB . . 3.440 3.232 3.127 3.443 0.003 20 0 "[ . 1 . 2]" 1
855 1 26 CYS HB3 1 63 ALA MB . . 3.740 2.454 2.260 2.604 . 0 0 "[ . 1 . 2]" 1
856 1 63 ALA MB 1 67 LEU HG . . 4.290 2.813 2.672 3.018 . 0 0 "[ . 1 . 2]" 1
857 1 37 ALA HA 1 50 GLY HA2 . . 3.690 2.196 2.011 2.445 . 0 0 "[ . 1 . 2]" 1
858 1 37 ALA HA 1 38 ILE H . . 3.220 2.149 2.143 2.160 . 0 0 "[ . 1 . 2]" 1
859 1 37 ALA HA 1 50 GLY HA3 . . 3.870 3.478 3.252 3.780 . 0 0 "[ . 1 . 2]" 1
860 1 22 LEU MD1 1 37 ALA HA . . 3.540 2.033 1.939 2.340 . 0 0 "[ . 1 . 2]" 1
861 1 27 GLN H 1 28 PRO HD3 . . 3.670 3.047 3.006 3.087 . 0 0 "[ . 1 . 2]" 1
862 1 27 GLN HG2 1 28 PRO HD3 . . 3.930 1.988 1.986 1.993 . 0 0 "[ . 1 . 2]" 1
863 1 27 GLN HG3 1 28 PRO HD3 . . 3.930 3.427 3.285 3.543 . 0 0 "[ . 1 . 2]" 1
864 1 28 PRO HD2 1 29 TYR QD . . 4.600 2.563 2.510 2.710 . 0 0 "[ . 1 . 2]" 1
865 1 77 ALA MB 1 78 LYS H . . 5.310 3.244 1.887 3.683 . 0 0 "[ . 1 . 2]" 1
866 1 54 PHE QD 1 59 ALA MB . . 3.280 2.127 1.940 2.405 . 0 0 "[ . 1 . 2]" 1
867 1 59 ALA MB 1 60 ALA H . . 3.350 2.513 2.384 2.991 . 0 0 "[ . 1 . 2]" 1
868 1 30 GLY HA3 1 59 ALA MB . . 3.430 2.698 2.507 2.836 . 0 0 "[ . 1 . 2]" 1
869 1 54 PHE HB3 1 59 ALA MB . . 3.500 2.340 2.233 2.528 . 0 0 "[ . 1 . 2]" 1
870 1 77 ALA H 1 77 ALA MB . . 3.280 2.769 2.639 2.890 . 0 0 "[ . 1 . 2]" 1
871 1 9 TYR QE 1 77 ALA MB . . 5.240 5.111 4.947 5.235 . 0 0 "[ . 1 . 2]" 1
872 1 8 LEU HA 1 77 ALA MB . . 4.060 3.269 2.969 3.756 . 0 0 "[ . 1 . 2]" 1
873 1 9 TYR HB2 1 77 ALA MB . . 4.020 2.782 2.588 2.987 . 0 0 "[ . 1 . 2]" 1
874 1 9 TYR HB3 1 77 ALA MB . . 4.270 4.176 3.948 4.269 . 0 0 "[ . 1 . 2]" 1
875 1 29 TYR QD 1 66 ALA MB . . 4.290 3.545 3.420 3.823 . 0 0 "[ . 1 . 2]" 1
876 1 63 ALA HA 1 66 ALA MB . . 3.620 3.141 2.889 3.344 . 0 0 "[ . 1 . 2]" 1
877 1 66 ALA MB 1 69 ALA MB . . 4.010 3.954 3.735 4.010 . 19 0 "[ . 1 . 2]" 1
878 1 14 GLN HB3 1 15 PRO HD3 . . 3.650 3.479 3.444 3.543 . 0 0 "[ . 1 . 2]" 1
879 1 14 GLN HA 1 15 PRO HD2 . . 3.230 2.484 2.381 2.534 . 0 0 "[ . 1 . 2]" 1
880 1 14 GLN HB2 1 15 PRO HD2 . . 3.640 3.607 3.568 3.640 . 0 0 "[ . 1 . 2]" 1
881 1 10 ILE MG 1 74 ALA HA . . 4.050 3.870 3.559 3.997 . 0 0 "[ . 1 . 2]" 1
882 1 10 ILE HG13 1 10 ILE MG . . 3.670 2.735 2.644 2.802 . 0 0 "[ . 1 . 2]" 1
883 1 10 ILE H 1 10 ILE MG . . 4.150 3.778 3.753 3.809 . 0 0 "[ . 1 . 2]" 1
884 1 32 ILE MG 1 35 THR MG . . 3.010 2.023 1.861 2.123 . 0 0 "[ . 1 . 2]" 1
885 1 23 VAL MG2 1 32 ILE MG . . 2.940 2.515 2.376 2.768 . 0 0 "[ . 1 . 2]" 1
886 1 23 VAL MG1 1 32 ILE MG . . 3.430 3.220 3.027 3.429 . 0 0 "[ . 1 . 2]" 1
887 1 67 LEU MD1 1 74 ALA HA . . 5.020 4.079 3.882 4.280 . 0 0 "[ . 1 . 2]" 1
888 1 10 ILE HA 1 74 ALA HA . . 3.460 2.338 2.241 2.431 . 0 0 "[ . 1 . 2]" 1
889 1 66 ALA HA 1 69 ALA MB . . 3.450 2.895 2.521 3.067 . 0 0 "[ . 1 . 2]" 1
890 1 68 LYS QB 1 69 ALA MB . . 4.140 3.724 3.676 3.800 . 0 0 "[ . 1 . 2]" 1
891 1 8 LEU HG 1 60 ALA MB . . 4.510 2.352 2.052 2.610 . 0 0 "[ . 1 . 2]" 1
892 1 6 SER HA 1 60 ALA MB . . 3.300 2.031 1.848 2.260 . 0 0 "[ . 1 . 2]" 1
893 1 60 ALA MB 1 61 GLN HA . . 4.730 3.755 3.693 3.815 . 0 0 "[ . 1 . 2]" 1
894 1 37 ALA H 1 37 ALA MB . . 3.250 2.131 2.062 2.191 . 0 0 "[ . 1 . 2]" 1
895 1 37 ALA MB 1 51 PHE H . . 5.080 3.992 3.793 4.180 . 0 0 "[ . 1 . 2]" 1
896 1 37 ALA MB 1 38 ILE H . . 4.120 3.176 3.113 3.233 . 0 0 "[ . 1 . 2]" 1
897 1 37 ALA MB 1 50 GLY HA2 . . 4.290 3.386 3.175 3.650 . 0 0 "[ . 1 . 2]" 1
898 1 36 LYS HA 1 37 ALA MB . . 4.010 3.972 3.936 4.007 . 0 0 "[ . 1 . 2]" 1
899 1 22 LEU HG 1 37 ALA MB . . 4.110 2.906 2.569 3.170 . 0 0 "[ . 1 . 2]" 1
900 1 37 ALA MB 1 39 LEU HG . . 4.510 3.202 2.818 3.570 . 0 0 "[ . 1 . 2]" 1
901 1 38 ILE MG 1 49 TYR QD . . 3.900 2.061 1.921 2.248 . 0 0 "[ . 1 . 2]" 1
902 1 38 ILE MG 1 47 LYS QD . . 3.360 2.565 1.991 3.347 . 0 0 "[ . 1 . 2]" 1
903 1 38 ILE HG13 1 38 ILE MG . . 3.110 2.223 2.125 2.350 . 0 0 "[ . 1 . 2]" 1
904 1 38 ILE HG12 1 38 ILE MG . . 3.390 3.175 3.159 3.192 . 0 0 "[ . 1 . 2]" 1
905 1 76 MET ME 1 77 ALA H . . 4.730 4.686 4.526 4.733 0.003 5 0 "[ . 1 . 2]" 1
906 1 6 SER HA 1 76 MET ME . . 3.960 3.128 2.853 3.291 . 0 0 "[ . 1 . 2]" 1
907 1 61 GLN HA 1 76 MET ME . . 3.920 3.277 2.833 3.916 . 0 0 "[ . 1 . 2]" 1
908 1 76 MET ME 1 76 MET HG2 . . 3.920 2.758 2.077 3.386 . 0 0 "[ . 1 . 2]" 1
909 1 61 GLN QG 1 76 MET ME . . 3.700 2.790 2.435 3.237 . 0 0 "[ . 1 . 2]" 1
910 1 8 LEU MD2 1 76 MET ME . . 3.650 2.178 1.905 2.579 . 0 0 "[ . 1 . 2]" 1
911 1 64 VAL MG2 1 76 MET ME . . 4.210 2.933 2.242 3.607 . 0 0 "[ . 1 . 2]" 1
912 1 7 GLY H 1 76 MET ME . . 4.070 3.721 3.394 4.014 . 0 0 "[ . 1 . 2]" 1
913 1 61 GLN H 1 76 MET ME . . 4.110 2.950 2.614 3.470 . 0 0 "[ . 1 . 2]" 1
914 1 76 MET ME 1 76 MET HG3 . . 3.920 2.959 2.427 3.399 . 0 0 "[ . 1 . 2]" 1
915 1 60 ALA MB 1 76 MET ME . . 3.180 1.830 1.721 1.927 . 0 0 "[ . 1 . 2]" 1
916 1 38 ILE HG12 1 50 GLY HA2 . . 4.100 2.914 2.763 3.186 . 0 0 "[ . 1 . 2]" 1
917 1 38 ILE HB 1 50 GLY HA2 . . 4.370 4.347 4.242 4.371 0.001 20 0 "[ . 1 . 2]" 1
918 1 25 LEU MD2 1 50 GLY HA3 . . 5.500 3.833 3.657 4.057 . 0 0 "[ . 1 . 2]" 1
919 1 50 GLY HA3 1 52 VAL MG2 . . 5.500 4.208 4.082 4.326 . 0 0 "[ . 1 . 2]" 1
920 1 37 ALA MB 1 50 GLY HA3 . . 4.650 3.963 3.675 4.355 . 0 0 "[ . 1 . 2]" 1
921 1 38 ILE HG12 1 50 GLY HA3 . . 4.870 4.466 4.283 4.739 . 0 0 "[ . 1 . 2]" 1
922 1 12 GLY H 1 49 TYR HA . . 5.110 3.630 3.478 3.776 . 0 0 "[ . 1 . 2]" 1
923 1 11 ARG HB2 1 49 TYR HA . . 5.320 5.117 5.018 5.206 . 0 0 "[ . 1 . 2]" 1
924 1 11 ARG HG3 1 49 TYR HA . . 5.500 4.251 3.873 4.722 . 0 0 "[ . 1 . 2]" 1
925 1 38 ILE HB 1 49 TYR HA . . 5.500 4.688 4.516 4.884 . 0 0 "[ . 1 . 2]" 1
926 1 10 ILE MG 1 49 TYR HA . . 4.590 4.397 4.226 4.537 . 0 0 "[ . 1 . 2]" 1
927 1 13 LEU MD2 1 49 TYR HA . . 3.700 3.253 3.097 3.502 . 0 0 "[ . 1 . 2]" 1
928 1 13 LEU HB2 1 48 GLY HA3 . . 4.560 4.444 4.253 4.555 . 0 0 "[ . 1 . 2]" 1
929 1 48 GLY HA3 1 49 TYR QE . . 5.390 3.822 3.499 4.221 . 0 0 "[ . 1 . 2]" 1
930 1 13 LEU H 1 48 GLY HA3 . . 4.390 3.205 2.994 3.456 . 0 0 "[ . 1 . 2]" 1
931 1 13 LEU MD1 1 48 GLY HA2 . . 5.500 4.106 3.750 4.371 . 0 0 "[ . 1 . 2]" 1
932 1 13 LEU HB3 1 48 GLY HA2 . . 4.760 4.560 4.406 4.747 . 0 0 "[ . 1 . 2]" 1
933 1 47 LYS HA 1 47 LYS QE . . 5.280 4.680 4.421 4.949 . 0 0 "[ . 1 . 2]" 1
934 1 47 LYS HA 1 47 LYS QD . . 4.280 3.754 3.177 4.055 . 0 0 "[ . 1 . 2]" 1
935 1 47 LYS HB3 1 47 LYS QE . . 4.770 3.314 2.737 3.938 . 0 0 "[ . 1 . 2]" 1
936 1 40 ASP HA 1 47 LYS HG2 . . 5.080 3.189 2.154 4.063 . 0 0 "[ . 1 . 2]" 1
937 1 40 ASP HA 1 47 LYS HG3 . . 5.080 2.896 2.364 3.344 . 0 0 "[ . 1 . 2]" 1
938 1 40 ASP H 1 47 LYS HG2 . . 5.370 3.957 2.412 5.179 . 0 0 "[ . 1 . 2]" 1
939 1 40 ASP H 1 46 CYS HA . . 4.850 3.636 3.410 3.790 . 0 0 "[ . 1 . 2]" 1
940 1 17 THR MG 1 46 CYS HB3 . . 5.440 5.013 4.530 5.362 . 0 0 "[ . 1 . 2]" 1
941 1 17 THR MG 1 46 CYS HB2 . . 5.440 4.513 4.008 5.070 . 0 0 "[ . 1 . 2]" 1
942 1 39 LEU MD2 1 45 LYS HA . . 4.940 3.903 3.496 4.404 . 0 0 "[ . 1 . 2]" 1
943 1 43 THR HB 1 45 LYS HA . . 4.900 4.824 4.619 4.898 . 0 0 "[ . 1 . 2]" 1
944 1 39 LEU HB2 1 44 ASN HA . . 4.170 3.290 2.845 3.707 . 0 0 "[ . 1 . 2]" 1
945 1 43 THR HB 1 44 ASN H . . 5.500 3.538 3.281 3.894 . 0 0 "[ . 1 . 2]" 1
946 1 43 THR HB 1 45 LYS QE . . 5.040 3.285 2.419 4.411 . 0 0 "[ . 1 . 2]" 1
947 1 41 LYS HA 1 41 LYS QG . . 3.920 2.293 2.009 3.342 . 0 0 "[ . 1 . 2]" 1
948 1 41 LYS HA 1 41 LYS QD . . 4.540 3.617 2.381 4.233 . 0 0 "[ . 1 . 2]" 1
949 1 40 ASP HA 1 47 LYS QD . . 4.250 2.267 1.989 3.186 . 0 0 "[ . 1 . 2]" 1
950 1 40 ASP HB2 1 47 LYS HG2 . . 5.500 3.853 2.580 5.281 . 0 0 "[ . 1 . 2]" 1
951 1 40 ASP HB2 1 47 LYS HG3 . . 5.500 3.690 2.105 4.670 . 0 0 "[ . 1 . 2]" 1
952 1 40 ASP HB2 1 47 LYS QD . . 4.680 4.138 3.476 4.530 . 0 0 "[ . 1 . 2]" 1
953 1 38 ILE HA 1 39 LEU HB2 . . 5.290 4.908 4.703 5.025 . 0 0 "[ . 1 . 2]" 1
954 1 39 LEU HB2 1 40 ASP H . . 3.680 3.512 3.322 3.662 . 0 0 "[ . 1 . 2]" 1
955 1 39 LEU HB3 1 46 CYS HA . . 4.070 3.479 3.053 3.773 . 0 0 "[ . 1 . 2]" 1
956 1 39 LEU H 1 39 LEU MD2 . . 4.250 3.603 3.226 3.926 . 0 0 "[ . 1 . 2]" 1
957 1 39 LEU MD2 1 40 ASP H . . 4.260 3.897 3.476 4.240 . 0 0 "[ . 1 . 2]" 1
958 1 39 LEU MD2 1 47 LYS H . . 5.000 3.819 3.408 4.096 . 0 0 "[ . 1 . 2]" 1
959 1 38 ILE HA 1 39 LEU MD2 . . 4.940 4.420 3.791 4.919 . 0 0 "[ . 1 . 2]" 1
960 1 36 LYS QG 1 38 ILE HA . . 4.100 3.896 3.817 3.983 . 0 0 "[ . 1 . 2]" 1
961 1 38 ILE HB 1 46 CYS HA . . 5.500 4.835 4.625 5.375 . 0 0 "[ . 1 . 2]" 1
962 1 38 ILE HB 1 50 GLY H . . 5.500 5.076 4.889 5.292 . 0 0 "[ . 1 . 2]" 1
963 1 10 ILE HA 1 11 ARG HG3 . . 4.390 3.729 3.438 4.062 . 0 0 "[ . 1 . 2]" 1
964 1 38 ILE MG 1 40 ASP HA . . 5.190 4.626 4.525 4.724 . 0 0 "[ . 1 . 2]" 1
965 1 38 ILE MG 1 46 CYS HA . . 5.500 4.913 4.704 5.214 . 0 0 "[ . 1 . 2]" 1
966 1 37 ALA HA 1 38 ILE MD . . 5.500 3.544 3.267 3.953 . 0 0 "[ . 1 . 2]" 1
967 1 38 ILE MD 1 50 GLY HA2 . . 4.730 3.755 3.423 4.193 . 0 0 "[ . 1 . 2]" 1
968 1 38 ILE MD 1 51 PHE H . . 4.150 3.548 3.255 3.981 . 0 0 "[ . 1 . 2]" 1
969 1 13 LEU MD1 1 37 ALA HA . . 4.720 4.186 3.995 4.434 . 0 0 "[ . 1 . 2]" 1
970 1 37 ALA HA 1 39 LEU MD2 . . 5.130 4.458 3.961 4.793 . 0 0 "[ . 1 . 2]" 1
971 1 37 ALA HA 1 38 ILE HB . . 4.950 4.825 4.753 4.883 . 0 0 "[ . 1 . 2]" 1
972 1 37 ALA HA 1 38 ILE HA . . 4.740 4.370 4.363 4.380 . 0 0 "[ . 1 . 2]" 1
973 1 36 LYS HA 1 38 ILE MD . . 5.500 4.948 4.763 5.151 . 0 0 "[ . 1 . 2]" 1
974 1 36 LYS HB2 1 38 ILE MD . . 5.150 4.936 4.776 5.061 . 0 0 "[ . 1 . 2]" 1
975 1 36 LYS HB2 1 51 PHE HB3 . . 4.850 3.740 3.674 3.874 . 0 0 "[ . 1 . 2]" 1
976 1 36 LYS HB2 1 51 PHE HB2 . . 4.850 4.751 4.647 4.833 . 0 0 "[ . 1 . 2]" 1
977 1 36 LYS HB2 1 51 PHE QD . . 4.940 4.883 4.742 4.943 0.003 8 0 "[ . 1 . 2]" 1
978 1 36 LYS HB3 1 51 PHE QD . . 4.740 3.557 3.374 3.664 . 0 0 "[ . 1 . 2]" 1
979 1 36 LYS HB2 1 37 ALA H . . 4.790 4.328 4.229 4.425 . 0 0 "[ . 1 . 2]" 1
980 1 36 LYS HB3 1 37 ALA H . . 4.890 4.476 4.424 4.523 . 0 0 "[ . 1 . 2]" 1
981 1 36 LYS H 1 36 LYS QG . . 4.990 3.998 3.934 4.042 . 0 0 "[ . 1 . 2]" 1
982 1 36 LYS QG 1 51 PHE H . . 5.440 4.168 4.028 4.333 . 0 0 "[ . 1 . 2]" 1
983 1 36 LYS H 1 36 LYS QD . . 5.250 4.607 4.534 4.746 . 0 0 "[ . 1 . 2]" 1
984 1 35 THR HB 1 52 VAL MG1 . . 4.920 4.485 4.240 4.912 . 0 0 "[ . 1 . 2]" 1
985 1 32 ILE MG 1 35 THR HB . . 4.790 4.560 4.355 4.672 . 0 0 "[ . 1 . 2]" 1
986 1 22 LEU HG 1 35 THR HB . . 5.010 3.785 3.587 3.953 . 0 0 "[ . 1 . 2]" 1
987 1 35 THR HB 1 36 LYS HA . . 4.730 4.281 4.145 4.405 . 0 0 "[ . 1 . 2]" 1
988 1 22 LEU H 1 35 THR HB . . 5.160 4.415 4.321 4.488 . 0 0 "[ . 1 . 2]" 1
989 1 23 VAL H 1 35 THR HB . . 5.390 4.024 3.713 4.203 . 0 0 "[ . 1 . 2]" 1
990 1 22 LEU MD1 1 35 THR HA . . 4.810 3.522 3.427 3.617 . 0 0 "[ . 1 . 2]" 1
991 1 35 THR HA 1 36 LYS HB3 . . 5.280 4.320 4.269 4.423 . 0 0 "[ . 1 . 2]" 1
992 1 32 ILE MG 1 34 SER HA . . 4.680 3.433 3.377 3.538 . 0 0 "[ . 1 . 2]" 1
993 1 33 VAL MG1 1 34 SER HA . . 5.400 4.351 4.214 4.656 . 0 0 "[ . 1 . 2]" 1
994 1 34 SER HA 1 35 THR MG . . 4.990 3.823 3.501 4.113 . 0 0 "[ . 1 . 2]" 1
995 1 34 SER HB2 1 53 ASP HB2 . . 4.200 3.984 3.632 4.158 . 0 0 "[ . 1 . 2]" 1
996 1 32 ILE MG 1 33 VAL HA . . 4.710 4.107 3.940 4.323 . 0 0 "[ . 1 . 2]" 1
997 1 33 VAL MG1 1 55 ASP H . . 5.300 5.154 4.692 5.298 . 0 0 "[ . 1 . 2]" 1
998 1 33 VAL MG1 1 55 ASP HB2 . . 4.910 4.589 4.336 4.841 . 0 0 "[ . 1 . 2]" 1
999 1 32 ILE HA 1 33 VAL MG1 . . 5.500 5.446 5.346 5.473 . 0 0 "[ . 1 . 2]" 1
1000 1 31 LYS HA 1 32 ILE HA . . 4.600 4.393 4.388 4.414 . 0 0 "[ . 1 . 2]" 1
1001 1 32 ILE HA 1 54 PHE QD . . 4.550 3.642 3.487 3.760 . 0 0 "[ . 1 . 2]" 1
1002 1 32 ILE HA 1 54 PHE QE . . 5.170 4.244 4.054 4.367 . 0 0 "[ . 1 . 2]" 1
1003 1 32 ILE HA 1 55 ASP H . . 4.680 3.667 3.486 3.844 . 0 0 "[ . 1 . 2]" 1
1004 1 32 ILE HB 1 33 VAL H . . 5.360 4.308 4.224 4.387 . 0 0 "[ . 1 . 2]" 1
1005 1 23 VAL HA 1 32 ILE HG13 . . 5.040 4.863 4.692 4.973 . 0 0 "[ . 1 . 2]" 1
1006 1 31 LYS HA 1 32 ILE HG13 . . 4.750 3.856 3.616 4.059 . 0 0 "[ . 1 . 2]" 1
1007 1 32 ILE HG13 1 33 VAL H . . 5.500 5.201 5.083 5.302 . 0 0 "[ . 1 . 2]" 1
1008 1 32 ILE HG12 1 54 PHE QD . . 4.980 3.637 3.523 3.831 . 0 0 "[ . 1 . 2]" 1
1009 1 32 ILE HG12 1 33 VAL H . . 5.500 4.500 4.365 4.716 . 0 0 "[ . 1 . 2]" 1
1010 1 32 ILE MG 1 52 VAL HA . . 4.780 3.582 3.269 3.717 . 0 0 "[ . 1 . 2]" 1
1011 1 32 ILE MG 1 54 PHE QD . . 5.260 4.020 3.588 4.257 . 0 0 "[ . 1 . 2]" 1
1012 1 32 ILE MG 1 54 PHE QE . . 5.500 3.902 3.602 4.272 . 0 0 "[ . 1 . 2]" 1
1013 1 32 ILE MG 1 53 ASP H . . 4.710 3.343 3.017 3.543 . 0 0 "[ . 1 . 2]" 1
1014 1 23 VAL MG1 1 32 ILE MD . . 3.010 2.272 2.037 2.489 . 0 0 "[ . 1 . 2]" 1
1015 1 23 VAL MG2 1 32 ILE MD . . 3.300 3.152 2.971 3.286 . 0 0 "[ . 1 . 2]" 1
1016 1 25 LEU HB3 1 32 ILE MD . . 5.500 4.590 4.331 4.864 . 0 0 "[ . 1 . 2]" 1
1017 1 32 ILE MD 1 54 PHE HA . . 5.270 5.224 5.107 5.274 0.004 6 0 "[ . 1 . 2]" 1
1018 1 23 VAL H 1 32 ILE MD . . 5.100 4.489 4.394 4.591 . 0 0 "[ . 1 . 2]" 1
1019 1 30 GLY H 1 32 ILE MD . . 5.490 4.320 4.078 4.513 . 0 0 "[ . 1 . 2]" 1
1020 1 32 ILE MD 1 33 VAL H . . 5.500 5.189 4.969 5.414 . 0 0 "[ . 1 . 2]" 1
1021 1 31 LYS HA 1 32 ILE MD . . 5.500 5.222 4.892 5.429 . 0 0 "[ . 1 . 2]" 1
1022 1 31 LYS HA 1 32 ILE HG12 . . 5.060 4.932 4.752 5.040 . 0 0 "[ . 1 . 2]" 1
1023 1 30 GLY HA2 1 54 PHE QE . . 4.360 3.494 3.456 3.649 . 0 0 "[ . 1 . 2]" 1
1024 1 30 GLY HA3 1 31 LYS HB3 . . 5.430 5.270 5.146 5.318 . 0 0 "[ . 1 . 2]" 1
1025 1 29 TYR HA 1 62 LYS HD2 . . 4.160 3.194 2.812 3.564 . 0 0 "[ . 1 . 2]" 1
1026 1 29 TYR HA 1 29 TYR QE . . 4.950 4.632 4.587 4.646 . 0 0 "[ . 1 . 2]" 1
1027 1 29 TYR HB3 1 62 LYS HB2 . . 4.750 4.572 4.386 4.746 . 0 0 "[ . 1 . 2]" 1
1028 1 29 TYR HB3 1 63 ALA H . . 4.730 4.065 3.865 4.183 . 0 0 "[ . 1 . 2]" 1
1029 1 29 TYR HB2 1 63 ALA H . . 5.400 5.235 5.024 5.354 . 0 0 "[ . 1 . 2]" 1
1030 1 28 PRO HB2 1 29 TYR QE . . 4.740 4.555 4.486 4.618 . 0 0 "[ . 1 . 2]" 1
1031 1 28 PRO HB2 1 29 TYR QD . . 4.870 3.790 3.658 3.865 . 0 0 "[ . 1 . 2]" 1
1032 1 28 PRO HB2 1 29 TYR HA . . 5.070 4.335 4.320 4.342 . 0 0 "[ . 1 . 2]" 1
1033 1 28 PRO HB3 1 29 TYR QD . . 5.290 4.660 4.603 4.707 . 0 0 "[ . 1 . 2]" 1
1034 1 24 LYS HA 1 28 PRO HD3 . . 5.310 3.527 3.437 3.601 . 0 0 "[ . 1 . 2]" 1
1035 1 28 PRO HD3 1 29 TYR QD . . 5.070 4.053 4.023 4.145 . 0 0 "[ . 1 . 2]" 1
1036 1 28 PRO HD3 1 29 TYR H . . 4.320 4.041 4.020 4.052 . 0 0 "[ . 1 . 2]" 1
1037 1 27 GLN HG3 1 28 PRO HD2 . . 4.630 4.356 4.205 4.519 . 0 0 "[ . 1 . 2]" 1
1038 1 27 GLN HG2 1 28 PRO HD2 . . 4.630 3.415 3.309 3.480 . 0 0 "[ . 1 . 2]" 1
1039 1 28 PRO HD2 1 29 TYR QE . . 4.390 3.494 3.374 3.695 . 0 0 "[ . 1 . 2]" 1
1040 1 23 VAL MG1 1 27 GLN HA . . 4.890 3.293 3.142 3.412 . 0 0 "[ . 1 . 2]" 1
1041 1 27 GLN HA 1 54 PHE QE . . 5.180 4.839 4.594 5.038 . 0 0 "[ . 1 . 2]" 1
1042 1 24 LYS HA 1 27 GLN HB2 . . 3.830 2.745 2.593 2.813 . 0 0 "[ . 1 . 2]" 1
1043 1 27 GLN HG2 1 32 ILE MD . . 5.500 5.038 4.881 5.229 . 0 0 "[ . 1 . 2]" 1
1044 1 23 VAL MG1 1 27 GLN HG2 . . 5.000 4.454 4.311 4.593 . 0 0 "[ . 1 . 2]" 1
1045 1 27 GLN H 1 27 GLN HG3 . . 4.600 4.427 4.354 4.524 . 0 0 "[ . 1 . 2]" 1
1046 1 24 LYS HA 1 27 GLN HG3 . . 4.870 4.775 4.614 4.866 . 0 0 "[ . 1 . 2]" 1
1047 1 23 VAL MG1 1 27 GLN HG3 . . 5.000 3.857 3.586 4.088 . 0 0 "[ . 1 . 2]" 1
1048 1 27 GLN HG3 1 32 ILE MD . . 5.500 4.284 4.123 4.507 . 0 0 "[ . 1 . 2]" 1
1049 1 26 CYS HA 1 32 ILE MD . . 5.150 4.001 3.883 4.093 . 0 0 "[ . 1 . 2]" 1
1050 1 26 CYS HA 1 67 LEU MD1 . . 5.370 4.893 4.706 5.035 . 0 0 "[ . 1 . 2]" 1
1051 1 26 CYS HA 1 67 LEU MD2 . . 4.610 4.570 4.478 4.623 0.013 17 0 "[ . 1 . 2]" 1
1052 1 26 CYS HA 1 63 ALA MB . . 5.380 3.890 3.693 3.999 . 0 0 "[ . 1 . 2]" 1
1053 1 25 LEU HG 1 26 CYS HA . . 5.480 5.334 5.175 5.481 0.001 2 0 "[ . 1 . 2]" 1
1054 1 26 CYS HA 1 29 TYR HB2 . . 5.500 2.959 2.911 3.029 . 0 0 "[ . 1 . 2]" 1
1055 1 26 CYS HA 1 28 PRO HD3 . . 5.180 4.976 4.947 5.019 . 0 0 "[ . 1 . 2]" 1
1056 1 26 CYS HB3 1 32 ILE HG12 . . 5.120 4.655 4.494 4.802 . 0 0 "[ . 1 . 2]" 1
1057 1 26 CYS HB3 1 67 LEU MD1 . . 5.470 4.519 4.377 4.732 . 0 0 "[ . 1 . 2]" 1
1058 1 26 CYS HB3 1 52 VAL MG2 . . 5.210 5.103 4.925 5.175 . 0 0 "[ . 1 . 2]" 1
1059 1 26 CYS HB3 1 27 GLN H . . 4.830 4.507 4.473 4.538 . 0 0 "[ . 1 . 2]" 1
1060 1 26 CYS HB2 1 32 ILE HG12 . . 4.910 3.673 3.349 3.847 . 0 0 "[ . 1 . 2]" 1
1061 1 25 LEU H 1 26 CYS HB2 . . 5.500 5.381 5.280 5.499 . 0 0 "[ . 1 . 2]" 1
1062 1 22 LEU MD2 1 25 LEU HB2 . . 4.620 3.587 3.433 3.791 . 0 0 "[ . 1 . 2]" 1
1063 1 25 LEU HG 1 67 LEU MD1 . . 5.140 3.366 3.070 3.670 . 0 0 "[ . 1 . 2]" 1
1064 1 25 LEU HG 1 26 CYS H . . 5.070 4.717 4.555 4.879 . 0 0 "[ . 1 . 2]" 1
1065 1 25 LEU H 1 25 LEU HG . . 4.790 4.560 4.493 4.605 . 0 0 "[ . 1 . 2]" 1
1066 1 22 LEU HB2 1 23 VAL HA . . 5.300 4.198 4.111 4.313 . 0 0 "[ . 1 . 2]" 1
1067 1 23 VAL HA 1 26 CYS HB2 . . 5.450 5.097 4.917 5.242 . 0 0 "[ . 1 . 2]" 1
1068 1 23 VAL HA 1 26 CYS H . . 4.170 3.877 3.783 3.942 . 0 0 "[ . 1 . 2]" 1
1069 1 22 LEU HB3 1 23 VAL H . . 4.060 3.664 3.516 3.777 . 0 0 "[ . 1 . 2]" 1
1070 1 18 THR H 1 22 LEU HG . . 5.200 4.785 4.453 5.162 . 0 0 "[ . 1 . 2]" 1
1071 1 22 LEU MD1 1 50 GLY HA2 . . 4.240 2.798 2.373 3.347 . 0 0 "[ . 1 . 2]" 1
1072 1 22 LEU MD2 1 50 GLY HA3 . . 4.640 2.074 1.918 2.290 . 0 0 "[ . 1 . 2]" 1
1073 1 22 LEU MD2 1 25 LEU H . . 5.500 4.866 4.680 5.038 . 0 0 "[ . 1 . 2]" 1
1074 1 22 LEU MD2 1 51 PHE H . . 4.810 3.269 2.662 3.632 . 0 0 "[ . 1 . 2]" 1
1075 1 22 LEU MD1 1 36 LYS HA . . 4.260 3.295 3.150 3.512 . 0 0 "[ . 1 . 2]" 1
1076 1 18 THR H 1 21 ASP HA . . 5.320 4.686 4.459 5.095 . 0 0 "[ . 1 . 2]" 1
1077 1 21 ASP HB2 1 22 LEU MD2 . . 5.230 4.603 3.383 5.166 . 0 0 "[ . 1 . 2]" 1
1078 1 21 ASP HB3 1 22 LEU MD2 . . 5.230 3.496 2.898 4.182 . 0 0 "[ . 1 . 2]" 1
1079 1 17 THR HA 1 21 ASP HB3 . . 4.630 3.398 3.041 3.864 . 0 0 "[ . 1 . 2]" 1
1080 1 18 THR H 1 21 ASP HB3 . . 4.060 2.737 2.143 3.601 . 0 0 "[ . 1 . 2]" 1
1081 1 19 ASP HA 1 22 LEU H . . 4.500 3.719 3.460 3.889 . 0 0 "[ . 1 . 2]" 1
1082 1 17 THR HB 1 22 LEU MD2 . . 4.580 4.247 4.003 4.535 . 0 0 "[ . 1 . 2]" 1
1083 1 14 GLN HA 1 15 PRO HD3 . . 2.760 2.336 2.291 2.360 . 0 0 "[ . 1 . 2]" 1
1084 1 13 LEU HA 1 14 GLN HG2 . . 5.500 4.651 4.344 5.499 . 0 0 "[ . 1 . 2]" 1
1085 1 13 LEU HA 1 14 GLN HG3 . . 5.500 4.868 3.995 5.148 . 0 0 "[ . 1 . 2]" 1
1086 1 13 LEU HA 1 17 THR HG1 . . 4.960 4.693 4.521 4.899 . 0 0 "[ . 1 . 2]" 1
1087 1 13 LEU HA 1 14 GLN HB2 . . 5.400 4.614 4.471 5.001 . 0 0 "[ . 1 . 2]" 1
1088 1 13 LEU HB2 1 17 THR HG1 . . 5.090 3.497 3.147 3.964 . 0 0 "[ . 1 . 2]" 1
1089 1 13 LEU HB3 1 17 THR HG1 . . 4.760 3.129 2.976 3.437 . 0 0 "[ . 1 . 2]" 1
1090 1 13 LEU HB3 1 17 THR H . . 5.450 5.160 4.900 5.383 . 0 0 "[ . 1 . 2]" 1
1091 1 13 LEU MD2 1 17 THR HG1 . . 5.500 5.107 4.959 5.365 . 0 0 "[ . 1 . 2]" 1
1092 1 13 LEU MD1 1 50 GLY HA2 . . 4.510 2.962 2.884 3.096 . 0 0 "[ . 1 . 2]" 1
1093 1 10 ILE MG 1 11 ARG HA . . 4.630 3.765 3.589 3.817 . 0 0 "[ . 1 . 2]" 1
1094 1 11 ARG HA 1 13 LEU MD1 . . 4.870 4.074 3.941 4.253 . 0 0 "[ . 1 . 2]" 1
1095 1 11 ARG HA 1 49 TYR QD . . 4.670 2.386 2.117 2.791 . 0 0 "[ . 1 . 2]" 1
1096 1 11 ARG HB2 1 49 TYR QD . . 5.500 3.897 3.627 4.417 . 0 0 "[ . 1 . 2]" 1
1097 1 11 ARG HG2 1 49 TYR QD . . 5.250 2.667 2.220 3.097 . 0 0 "[ . 1 . 2]" 1
1098 1 11 ARG HA 1 11 ARG QD . . 4.720 4.103 3.965 4.274 . 0 0 "[ . 1 . 2]" 1
1099 1 9 TYR QD 1 11 ARG QD . . 4.760 3.115 2.541 3.712 . 0 0 "[ . 1 . 2]" 1
1100 1 9 TYR HA 1 10 ILE HB . . 5.320 4.651 4.605 4.700 . 0 0 "[ . 1 . 2]" 1
1101 1 10 ILE HB 1 74 ALA HA . . 5.500 5.003 4.885 5.116 . 0 0 "[ . 1 . 2]" 1
1102 1 10 ILE HG12 1 74 ALA HA . . 4.460 4.235 3.958 4.443 . 0 0 "[ . 1 . 2]" 1
1103 1 10 ILE H 1 10 ILE HG12 . . 4.460 4.232 4.173 4.298 . 0 0 "[ . 1 . 2]" 1
1104 1 10 ILE HG13 1 74 ALA HA . . 4.200 2.711 2.576 2.858 . 0 0 "[ . 1 . 2]" 1
1105 1 10 ILE MG 1 25 LEU HG . . 4.750 3.880 3.668 4.033 . 0 0 "[ . 1 . 2]" 1
1106 1 10 ILE MG 1 73 GLN QB . . 4.670 4.197 4.061 4.390 . 0 0 "[ . 1 . 2]" 1
1107 1 10 ILE MG 1 13 LEU H . . 5.500 5.151 4.886 5.373 . 0 0 "[ . 1 . 2]" 1
1108 1 10 ILE MD 1 11 ARG H . . 5.500 5.071 4.962 5.166 . 0 0 "[ . 1 . 2]" 1
1109 1 9 TYR HA 1 10 ILE HG13 . . 5.030 4.815 4.542 4.989 . 0 0 "[ . 1 . 2]" 1
1110 1 9 TYR HA 1 10 ILE HA . . 4.460 4.421 4.412 4.430 . 0 0 "[ . 1 . 2]" 1
1111 1 9 TYR HA 1 51 PHE QD . . 4.430 3.887 3.593 4.096 . 0 0 "[ . 1 . 2]" 1
1112 1 8 LEU QB 1 52 VAL MG1 . . 4.870 3.494 3.266 3.687 . 0 0 "[ . 1 . 2]" 1
1113 1 8 LEU QB 1 54 PHE QD . . 4.940 4.422 4.207 4.620 . 0 0 "[ . 1 . 2]" 1
1114 1 8 LEU QB 1 54 PHE QE . . 5.230 4.107 3.905 4.352 . 0 0 "[ . 1 . 2]" 1
1115 1 8 LEU QB 1 10 ILE H . . 4.830 4.254 4.202 4.348 . 0 0 "[ . 1 . 2]" 1
1116 1 8 LEU QB 1 77 ALA H . . 5.500 4.537 4.264 4.752 . 0 0 "[ . 1 . 2]" 1
1117 1 8 LEU HG 1 9 TYR H . . 5.500 4.791 4.691 4.888 . 0 0 "[ . 1 . 2]" 1
1118 1 8 LEU MD2 1 64 VAL H . . 4.700 2.734 2.531 2.875 . 0 0 "[ . 1 . 2]" 1
1119 1 8 LEU MD2 1 75 GLN H . . 5.220 4.610 4.172 5.010 . 0 0 "[ . 1 . 2]" 1
1120 1 8 LEU H 1 8 LEU MD2 . . 5.090 4.123 4.013 4.253 . 0 0 "[ . 1 . 2]" 1
1121 1 7 GLY HA2 1 77 ALA MB . . 4.310 3.874 3.551 4.274 . 0 0 "[ . 1 . 2]" 1
1122 1 7 GLY HA2 1 53 ASP HB3 . . 5.020 3.975 3.870 4.122 . 0 0 "[ . 1 . 2]" 1
1123 1 7 GLY HA2 1 51 PHE QD . . 4.340 3.904 3.716 4.206 . 0 0 "[ . 1 . 2]" 1
1124 1 7 GLY HA2 1 51 PHE QE . . 4.410 2.769 2.476 3.394 . 0 0 "[ . 1 . 2]" 1
1125 1 7 GLY HA3 1 54 PHE H . . 5.000 4.986 4.944 5.004 0.004 8 0 "[ . 1 . 2]" 1
1126 1 7 GLY HA3 1 51 PHE QD . . 4.550 4.383 4.133 4.538 . 0 0 "[ . 1 . 2]" 1
1127 1 7 GLY HA3 1 51 PHE QE . . 4.170 2.407 2.054 2.887 . 0 0 "[ . 1 . 2]" 1
1128 1 6 SER HA 1 57 PRO HB3 . . 4.910 4.128 3.851 4.424 . 0 0 "[ . 1 . 2]" 1
1129 1 6 SER HA 1 54 PHE HB2 . . 5.050 3.034 2.849 3.199 . 0 0 "[ . 1 . 2]" 1
1130 1 6 SER HA 1 53 ASP HA . . 4.820 4.812 4.790 4.826 0.006 13 0 "[ . 1 . 2]" 1
1131 1 6 SER HA 1 60 ALA H . . 5.140 3.533 3.380 3.840 . 0 0 "[ . 1 . 2]" 1
1132 1 6 SER HA 1 54 PHE QD . . 5.250 4.537 4.336 4.683 . 0 0 "[ . 1 . 2]" 1
1133 1 6 SER HB2 1 7 GLY H . . 5.040 4.220 3.802 4.367 . 0 0 "[ . 1 . 2]" 1
1134 1 6 SER HB2 1 60 ALA H . . 5.500 4.427 4.183 5.169 . 0 0 "[ . 1 . 2]" 1
1135 1 6 SER HB2 1 56 SER HA . . 5.160 4.406 4.174 4.677 . 0 0 "[ . 1 . 2]" 1
1136 1 6 SER HB3 1 54 PHE HB2 . . 4.800 3.689 3.534 3.883 . 0 0 "[ . 1 . 2]" 1
1137 1 6 SER HB3 1 56 SER HA . . 5.160 3.497 3.114 3.722 . 0 0 "[ . 1 . 2]" 1
1138 1 6 SER HB3 1 7 GLY H . . 5.040 4.165 3.960 4.365 . 0 0 "[ . 1 . 2]" 1
1139 1 10 ILE MD 1 51 PHE HA . . 4.970 3.990 3.820 4.116 . 0 0 "[ . 1 . 2]" 1
1140 1 22 LEU MD2 1 51 PHE HA . . 5.500 4.883 4.426 5.287 . 0 0 "[ . 1 . 2]" 1
1141 1 51 PHE HA 1 52 VAL MG2 . . 4.580 3.539 3.285 3.800 . 0 0 "[ . 1 . 2]" 1
1142 1 8 LEU QB 1 51 PHE HA . . 5.190 4.196 4.065 4.284 . 0 0 "[ . 1 . 2]" 1
1143 1 50 GLY HA2 1 51 PHE HA . . 4.380 4.378 4.370 4.388 0.008 5 0 "[ . 1 . 2]" 1
1144 1 51 PHE HA 1 52 VAL HA . . 5.400 4.446 4.414 4.498 . 0 0 "[ . 1 . 2]" 1
1145 1 9 TYR QD 1 51 PHE HA . . 4.910 4.056 3.659 4.477 . 0 0 "[ . 1 . 2]" 1
1146 1 8 LEU H 1 51 PHE HA . . 5.470 4.229 4.059 4.360 . 0 0 "[ . 1 . 2]" 1
1147 1 38 ILE MD 1 51 PHE HB2 . . 5.190 2.557 2.335 2.804 . 0 0 "[ . 1 . 2]" 1
1148 1 36 LYS QG 1 51 PHE HB2 . . 5.030 3.200 3.028 3.352 . 0 0 "[ . 1 . 2]" 1
1149 1 36 LYS HB3 1 51 PHE HB2 . . 3.970 3.062 2.944 3.160 . 0 0 "[ . 1 . 2]" 1
1150 1 38 ILE MD 1 51 PHE HB3 . . 5.190 3.828 3.574 4.061 . 0 0 "[ . 1 . 2]" 1
1151 1 51 PHE HB3 1 52 VAL MG2 . . 5.500 4.534 4.434 4.676 . 0 0 "[ . 1 . 2]" 1
1152 1 36 LYS QG 1 51 PHE HB3 . . 5.030 3.356 3.145 3.450 . 0 0 "[ . 1 . 2]" 1
1153 1 52 VAL HA 1 53 ASP HB2 . . 5.080 4.456 4.381 4.558 . 0 0 "[ . 1 . 2]" 1
1154 1 51 PHE HA 1 52 VAL HB . . 5.110 4.536 4.402 4.697 . 0 0 "[ . 1 . 2]" 1
1155 1 52 VAL HB 1 54 PHE QD . . 5.170 4.175 3.970 4.390 . 0 0 "[ . 1 . 2]" 1
1156 1 52 VAL HB 1 54 PHE QE . . 5.350 3.361 3.070 3.662 . 0 0 "[ . 1 . 2]" 1
1157 1 8 LEU H 1 52 VAL HB . . 4.970 3.613 3.494 3.728 . 0 0 "[ . 1 . 2]" 1
1158 1 10 ILE HG13 1 72 VAL MG2 . . 4.390 4.062 3.839 4.349 . 0 0 "[ . 1 . 2]" 1
1159 1 51 PHE QD 1 52 VAL MG2 . . 5.100 4.663 4.536 4.913 . 0 0 "[ . 1 . 2]" 1
1160 1 52 VAL MG2 1 54 PHE QE . . 5.340 4.058 3.900 4.386 . 0 0 "[ . 1 . 2]" 1
1161 1 52 VAL MG2 1 53 ASP H . . 4.280 4.152 4.034 4.259 . 0 0 "[ . 1 . 2]" 1
1162 1 51 PHE HB2 1 52 VAL MG2 . . 5.500 5.156 5.053 5.334 . 0 0 "[ . 1 . 2]" 1
1163 1 25 LEU HB3 1 52 VAL MG1 . . 4.640 4.109 3.980 4.310 . 0 0 "[ . 1 . 2]" 1
1164 1 35 THR MG 1 52 VAL MG1 . . 3.160 2.222 1.972 2.561 . 0 0 "[ . 1 . 2]" 1
1165 1 32 ILE HA 1 52 VAL MG1 . . 4.890 3.837 3.741 3.965 . 0 0 "[ . 1 . 2]" 1
1166 1 35 THR HA 1 52 VAL MG1 . . 4.450 3.901 3.659 4.058 . 0 0 "[ . 1 . 2]" 1
1167 1 52 VAL MG1 1 53 ASP HA . . 4.540 3.889 3.719 4.079 . 0 0 "[ . 1 . 2]" 1
1168 1 52 VAL MG1 1 54 PHE HA . . 5.010 4.295 4.109 4.539 . 0 0 "[ . 1 . 2]" 1
1169 1 34 SER H 1 52 VAL MG1 . . 5.500 4.787 4.600 4.925 . 0 0 "[ . 1 . 2]" 1
1170 1 8 LEU H 1 52 VAL MG1 . . 5.500 4.279 4.043 4.547 . 0 0 "[ . 1 . 2]" 1
1171 1 53 ASP HA 1 54 PHE HB2 . . 5.030 4.269 4.226 4.319 . 0 0 "[ . 1 . 2]" 1
1172 1 52 VAL HA 1 53 ASP HA . . 5.430 4.406 4.397 4.411 . 0 0 "[ . 1 . 2]" 1
1173 1 51 PHE QD 1 53 ASP HA . . 5.010 4.310 4.155 4.626 . 0 0 "[ . 1 . 2]" 1
1174 1 53 ASP HA 1 54 PHE QD . . 5.180 3.444 3.273 3.633 . 0 0 "[ . 1 . 2]" 1
1175 1 33 VAL MG1 1 53 ASP HB3 . . 4.390 4.259 4.065 4.396 0.006 8 0 "[ . 1 . 2]" 1
1176 1 33 VAL MG1 1 53 ASP HB2 . . 4.670 4.411 4.190 4.674 0.004 8 0 "[ . 1 . 2]" 1
1177 1 7 GLY HA3 1 53 ASP HB3 . . 5.500 5.005 4.863 5.184 . 0 0 "[ . 1 . 2]" 1
1178 1 34 SER HB3 1 53 ASP HB2 . . 4.200 3.939 3.576 4.141 . 0 0 "[ . 1 . 2]" 1
1179 1 51 PHE QE 1 53 ASP HB3 . . 4.940 4.796 4.598 4.939 . 0 0 "[ . 1 . 2]" 1
1180 1 51 PHE QE 1 53 ASP HB2 . . 4.930 4.732 4.506 4.929 . 0 0 "[ . 1 . 2]" 1
1181 1 33 VAL H 1 53 ASP HB3 . . 5.240 4.331 4.077 4.517 . 0 0 "[ . 1 . 2]" 1
1182 1 33 VAL H 1 53 ASP HB2 . . 5.200 4.328 4.049 4.606 . 0 0 "[ . 1 . 2]" 1
1183 1 32 ILE MG 1 54 PHE HA . . 4.600 3.731 3.499 3.850 . 0 0 "[ . 1 . 2]" 1
1184 1 31 LYS HB3 1 54 PHE HA . . 5.140 4.440 4.220 4.650 . 0 0 "[ . 1 . 2]" 1
1185 1 33 VAL HB 1 54 PHE HA . . 5.480 4.338 4.112 4.531 . 0 0 "[ . 1 . 2]" 1
1186 1 53 ASP HB3 1 54 PHE HA . . 5.300 4.541 4.367 4.631 . 0 0 "[ . 1 . 2]" 1
1187 1 54 PHE HA 1 56 SER H . . 4.430 3.913 3.795 4.084 . 0 0 "[ . 1 . 2]" 1
1188 1 6 SER HB2 1 54 PHE HB2 . . 4.800 2.208 2.036 2.950 . 0 0 "[ . 1 . 2]" 1
1189 1 32 ILE HA 1 54 PHE HB3 . . 4.790 4.325 4.153 4.519 . 0 0 "[ . 1 . 2]" 1
1190 1 33 VAL MG1 1 55 ASP HB3 . . 4.910 4.760 4.570 4.853 . 0 0 "[ . 1 . 2]" 1
1191 1 56 SER HA 1 57 PRO HG3 . . 4.730 4.443 4.400 4.518 . 0 0 "[ . 1 . 2]" 1
1192 1 57 PRO HB3 1 60 ALA MB . . 4.850 4.702 4.363 4.858 0.008 20 0 "[ . 1 . 2]" 1
1193 1 58 SER HA 1 62 LYS H . . 5.170 4.891 4.735 4.985 . 0 0 "[ . 1 . 2]" 1
1194 1 58 SER QB 1 59 ALA MB . . 4.960 4.089 3.844 4.644 . 0 0 "[ . 1 . 2]" 1
1195 1 57 PRO HB2 1 58 SER QB . . 4.900 4.526 4.386 4.768 . 0 0 "[ . 1 . 2]" 1
1196 1 57 PRO HG2 1 58 SER QB . . 4.900 3.391 3.240 3.617 . 0 0 "[ . 1 . 2]" 1
1197 1 59 ALA HA 1 62 LYS HG3 . . 5.500 5.265 5.062 5.421 . 0 0 "[ . 1 . 2]" 1
1198 1 59 ALA HA 1 61 GLN H . . 4.870 4.492 4.286 4.705 . 0 0 "[ . 1 . 2]" 1
1199 1 60 ALA HA 1 64 VAL H . . 5.050 4.813 4.664 5.046 . 0 0 "[ . 1 . 2]" 1
1200 1 60 ALA HA 1 62 LYS H . . 5.150 4.297 4.023 4.538 . 0 0 "[ . 1 . 2]" 1
1201 1 8 LEU MD1 1 60 ALA HA . . 3.840 2.366 2.129 2.840 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ALA HA 1 76 MET ME . . 5.190 4.067 3.791 4.295 . 0 0 "[ . 1 . 2]" 1
1203 1 59 ALA HA 1 60 ALA HA . . 5.500 4.820 4.711 4.853 . 0 0 "[ . 1 . 2]" 1
1204 1 60 ALA HA 1 61 GLN HA . . 5.500 4.883 4.833 4.906 . 0 0 "[ . 1 . 2]" 1
1205 1 54 PHE QD 1 60 ALA HA . . 3.600 3.293 2.925 3.540 . 0 0 "[ . 1 . 2]" 1
1206 1 54 PHE QE 1 60 ALA HA . . 4.040 3.620 3.404 3.827 . 0 0 "[ . 1 . 2]" 1
1207 1 60 ALA MB 1 61 GLN QG . . 4.470 3.558 3.449 3.692 . 0 0 "[ . 1 . 2]" 1
1208 1 59 ALA H 1 60 ALA MB . . 5.330 3.974 3.904 4.098 . 0 0 "[ . 1 . 2]" 1
1209 1 6 SER H 1 60 ALA MB . . 5.500 4.313 3.776 4.586 . 0 0 "[ . 1 . 2]" 1
1210 1 60 ALA MB 1 64 VAL H . . 5.500 4.545 4.435 4.724 . 0 0 "[ . 1 . 2]" 1
1211 1 68 LYS H 1 69 ALA MB . . 5.210 4.526 4.386 4.606 . 0 0 "[ . 1 . 2]" 1
1212 1 61 GLN QB 1 64 VAL MG1 . . 5.030 4.964 4.722 5.030 0.000 9 0 "[ . 1 . 2]" 1
1213 1 60 ALA MB 1 61 GLN QB . . 4.710 4.408 4.346 4.481 . 0 0 "[ . 1 . 2]" 1
1214 1 60 ALA H 1 61 GLN QB . . 5.500 4.699 4.530 4.826 . 0 0 "[ . 1 . 2]" 1
1215 1 58 SER HA 1 61 GLN QG . . 4.740 3.017 2.500 3.209 . 0 0 "[ . 1 . 2]" 1
1216 1 62 LYS HA 1 65 THR MG . . 4.920 4.234 4.141 4.313 . 0 0 "[ . 1 . 2]" 1
1217 1 62 LYS HA 1 66 ALA MB . . 5.480 4.620 4.473 4.759 . 0 0 "[ . 1 . 2]" 1
1218 1 62 LYS HA 1 64 VAL H . . 5.500 5.094 4.856 5.232 . 0 0 "[ . 1 . 2]" 1
1219 1 29 TYR QD 1 62 LYS HG3 . . 5.500 5.179 4.923 5.411 . 0 0 "[ . 1 . 2]" 1
1220 1 62 LYS HG3 1 63 ALA H . . 5.400 5.093 4.919 5.207 . 0 0 "[ . 1 . 2]" 1
1221 1 62 LYS HG2 1 63 ALA H . . 5.500 4.384 4.147 4.497 . 0 0 "[ . 1 . 2]" 1
1222 1 62 LYS H 1 62 LYS HG2 . . 5.370 4.493 4.436 4.550 . 0 0 "[ . 1 . 2]" 1
1223 1 62 LYS H 1 62 LYS HD2 . . 4.920 4.813 4.738 4.870 . 0 0 "[ . 1 . 2]" 1
1224 1 68 LYS H 1 68 LYS HD2 . . 5.090 4.448 4.217 4.873 . 0 0 "[ . 1 . 2]" 1
1225 1 68 LYS H 1 68 LYS HD3 . . 5.090 4.535 4.259 5.102 0.012 15 0 "[ . 1 . 2]" 1
1226 1 29 TYR QD 1 62 LYS HD3 . . 5.500 4.383 4.117 4.770 . 0 0 "[ . 1 . 2]" 1
1227 1 8 LEU MD2 1 63 ALA HA . . 5.390 4.946 4.756 5.185 . 0 0 "[ . 1 . 2]" 1
1228 1 63 ALA HA 1 67 LEU MD2 . . 5.500 4.185 4.006 4.287 . 0 0 "[ . 1 . 2]" 1
1229 1 60 ALA MB 1 63 ALA MB . . 4.030 3.891 3.774 4.030 0.000 10 0 "[ . 1 . 2]" 1
1230 1 64 VAL MG1 1 76 MET H . . 4.620 3.950 3.595 4.206 . 0 0 "[ . 1 . 2]" 1
1231 1 64 VAL MG1 1 66 ALA H . . 5.310 5.070 4.955 5.172 . 0 0 "[ . 1 . 2]" 1
1232 1 65 THR HA 1 68 LYS QE . . 5.500 5.197 1.952 5.503 0.003 19 0 "[ . 1 . 2]" 1
1233 1 65 THR HA 1 67 LEU H . . 5.480 5.391 5.315 5.465 . 0 0 "[ . 1 . 2]" 1
1234 1 64 VAL MG1 1 65 THR HB . . 5.430 5.218 4.945 5.321 . 0 0 "[ . 1 . 2]" 1
1235 1 64 VAL H 1 65 THR HB . . 5.170 5.118 5.032 5.170 0.000 10 0 "[ . 1 . 2]" 1
1236 1 65 THR HB 1 67 LEU H . . 5.480 5.189 5.093 5.301 . 0 0 "[ . 1 . 2]" 1
1237 1 66 ALA MB 1 68 LYS H . . 5.500 4.404 4.280 4.551 . 0 0 "[ . 1 . 2]" 1
1238 1 67 LEU HA 1 72 VAL H . . 5.070 4.562 4.417 4.700 . 0 0 "[ . 1 . 2]" 1
1239 1 64 VAL HA 1 67 LEU HB3 . . 4.460 4.297 4.149 4.428 . 0 0 "[ . 1 . 2]" 1
1240 1 67 LEU HB3 1 70 SER H . . 5.140 4.928 4.804 5.038 . 0 0 "[ . 1 . 2]" 1
1241 1 63 ALA HA 1 67 LEU HG . . 5.020 3.011 2.922 3.095 . 0 0 "[ . 1 . 2]" 1
1242 1 63 ALA HA 1 67 LEU MD1 . . 5.500 3.686 3.547 3.839 . 0 0 "[ . 1 . 2]" 1
1243 1 29 TYR QD 1 67 LEU MD1 . . 4.900 4.844 4.678 4.905 0.005 6 0 "[ . 1 . 2]" 1
1244 1 64 VAL H 1 67 LEU MD1 . . 5.050 3.723 3.326 4.022 . 0 0 "[ . 1 . 2]" 1
1245 1 67 LEU MD1 1 68 LYS H . . 5.500 4.396 4.272 4.511 . 0 0 "[ . 1 . 2]" 1
1246 1 29 TYR QD 1 67 LEU MD2 . . 4.890 4.652 4.468 4.801 . 0 0 "[ . 1 . 2]" 1
1247 1 66 ALA H 1 67 LEU MD2 . . 5.500 5.351 5.252 5.416 . 0 0 "[ . 1 . 2]" 1
1248 1 67 LEU MD2 1 70 SER H . . 5.500 4.891 4.778 5.026 . 0 0 "[ . 1 . 2]" 1
1249 1 68 LYS HA 1 72 VAL MG1 . . 4.820 3.435 3.249 3.608 . 0 0 "[ . 1 . 2]" 1
1250 1 68 LYS HA 1 74 ALA MB . . 5.500 3.834 3.735 3.925 . 0 0 "[ . 1 . 2]" 1
1251 1 68 LYS HG2 1 74 ALA H . . 4.090 3.395 2.914 3.585 . 0 0 "[ . 1 . 2]" 1
1252 1 69 ALA HA 1 71 GLY H . . 4.790 3.963 3.744 4.069 . 0 0 "[ . 1 . 2]" 1
1253 1 68 LYS QB 1 69 ALA HA . . 4.610 3.800 3.768 3.866 . 0 0 "[ . 1 . 2]" 1
1254 1 71 GLY HA3 1 72 VAL MG1 . . 5.310 4.827 4.521 4.939 . 0 0 "[ . 1 . 2]" 1
1255 1 72 VAL HA 1 72 VAL MG2 . . 2.950 2.341 2.186 2.433 . 0 0 "[ . 1 . 2]" 1
1256 1 10 ILE MG 1 72 VAL HA . . 4.750 4.682 4.588 4.751 0.001 8 0 "[ . 1 . 2]" 1
1257 1 72 VAL HA 1 73 GLN HG3 . . 4.960 4.376 3.917 4.790 . 0 0 "[ . 1 . 2]" 1
1258 1 73 GLN HA 1 74 ALA MB . . 4.680 4.123 4.098 4.141 . 0 0 "[ . 1 . 2]" 1
1259 1 68 LYS HG2 1 73 GLN HA . . 4.580 4.425 4.030 4.554 . 0 0 "[ . 1 . 2]" 1
1260 1 11 ARG HB2 1 73 GLN HA . . 5.120 5.017 4.870 5.120 0.000 8 0 "[ . 1 . 2]" 1
1261 1 73 GLN HA 1 74 ALA HA . . 5.230 4.387 4.381 4.394 . 0 0 "[ . 1 . 2]" 1
1262 1 72 VAL MG2 1 73 GLN HA . . 4.390 4.003 3.725 4.200 . 0 0 "[ . 1 . 2]" 1
1263 1 72 VAL MG2 1 73 GLN QB . . 5.500 3.500 3.379 3.597 . 0 0 "[ . 1 . 2]" 1
1264 1 14 GLN HB2 1 17 THR HG1 . . 5.300 2.425 2.066 2.860 . 0 0 "[ . 1 . 2]" 1
1265 1 64 VAL MG2 1 74 ALA HA . . 4.390 4.331 4.039 4.391 0.001 8 0 "[ . 1 . 2]" 1
1266 1 75 GLN HB3 1 77 ALA H . . 5.380 4.607 3.725 5.223 . 0 0 "[ . 1 . 2]" 1
1267 1 76 MET HB2 1 77 ALA H . . 4.450 4.329 4.218 4.426 . 0 0 "[ . 1 . 2]" 1
1268 1 9 TYR HB3 1 77 ALA HA . . 4.070 3.117 2.892 3.457 . 0 0 "[ . 1 . 2]" 1
1269 1 9 TYR HB2 1 77 ALA HA . . 4.000 2.082 1.998 2.194 . 0 0 "[ . 1 . 2]" 1
1270 1 8 LEU HA 1 77 ALA HA . . 5.120 4.464 4.183 4.817 . 0 0 "[ . 1 . 2]" 1
1271 1 9 TYR QE 1 77 ALA HA . . 5.430 5.375 5.266 5.440 0.010 3 0 "[ . 1 . 2]" 1
1272 1 9 TYR QD 1 77 ALA HA . . 4.590 3.457 3.306 3.608 . 0 0 "[ . 1 . 2]" 1
1273 1 9 TYR H 1 77 ALA HA . . 5.280 4.127 3.963 4.279 . 0 0 "[ . 1 . 2]" 1
1274 1 76 MET ME 1 77 ALA MB . . 4.890 4.379 4.145 4.713 . 0 0 "[ . 1 . 2]" 1
1275 1 9 TYR QE 1 49 TYR HB3 . . 5.010 2.220 2.000 2.562 . 0 0 "[ . 1 . 2]" 1
1276 1 38 ILE HB 1 49 TYR HB2 . . 4.920 2.653 2.287 2.966 . 0 0 "[ . 1 . 2]" 1
1277 1 31 LYS QD 1 55 ASP HB2 . . 4.050 3.748 3.241 4.004 . 0 0 "[ . 1 . 2]" 1
1278 1 11 ARG HB3 1 49 TYR QD . . 4.660 2.301 2.044 2.775 . 0 0 "[ . 1 . 2]" 1
1279 1 38 ILE HG12 1 49 TYR QD . . 4.190 3.736 3.444 4.180 . 0 0 "[ . 1 . 2]" 1
1280 1 47 LYS HB3 1 49 TYR QD . . 4.580 3.736 3.133 4.231 . 0 0 "[ . 1 . 2]" 1
1281 1 9 TYR QD 1 50 GLY H . . 5.080 4.625 4.348 4.843 . 0 0 "[ . 1 . 2]" 1
1282 1 49 TYR QD 1 50 GLY H . . 5.440 4.604 4.483 4.798 . 0 0 "[ . 1 . 2]" 1
1283 1 48 GLY HA3 1 49 TYR QD . . 4.650 3.844 3.435 4.218 . 0 0 "[ . 1 . 2]" 1
1284 1 9 TYR QD 1 10 ILE HA . . 4.790 4.179 3.865 4.491 . 0 0 "[ . 1 . 2]" 1
1285 1 40 ASP HA 1 47 LYS HA . . 5.230 4.947 4.235 5.231 0.001 20 0 "[ . 1 . 2]" 1
1286 1 46 CYS HA 1 47 LYS HA . . 5.460 4.478 4.395 4.530 . 0 0 "[ . 1 . 2]" 1
1287 1 47 LYS HB3 1 47 LYS QD . . 3.560 2.527 1.970 3.114 . 0 0 "[ . 1 . 2]" 1
1288 1 45 LYS HA 1 45 LYS HG2 . . 4.130 3.295 2.174 4.112 . 0 0 "[ . 1 . 2]" 1
1289 1 15 PRO HA 1 45 LYS HD3 . . 5.500 4.670 3.708 5.416 . 0 0 "[ . 1 . 2]" 1
1290 1 45 LYS HA 1 45 LYS HD3 . . 5.500 4.250 2.889 5.078 . 0 0 "[ . 1 . 2]" 1
1291 1 43 THR HB 1 45 LYS HB2 . . 4.690 3.860 2.630 4.478 . 0 0 "[ . 1 . 2]" 1
1292 1 43 THR MG 1 45 LYS H . . 5.500 4.409 3.992 4.717 . 0 0 "[ . 1 . 2]" 1
1293 1 43 THR MG 1 44 ASN H . . 5.500 4.061 3.870 4.242 . 0 0 "[ . 1 . 2]" 1
1294 1 42 THR H 1 43 THR MG . . 5.410 4.781 4.362 4.972 . 0 0 "[ . 1 . 2]" 1
1295 1 40 ASP HB2 1 43 THR MG . . 5.440 4.677 4.138 5.385 . 0 0 "[ . 1 . 2]" 1
1296 1 43 THR MG 1 45 LYS QE . . 5.270 3.320 2.223 4.529 . 0 0 "[ . 1 . 2]" 1
1297 1 40 ASP HB3 1 43 THR MG . . 5.440 4.341 3.781 4.592 . 0 0 "[ . 1 . 2]" 1
1298 1 41 LYS QB 1 42 THR HA . . 4.850 4.092 3.848 4.433 . 0 0 "[ . 1 . 2]" 1
1299 1 42 THR MG 1 43 THR H . . 5.500 3.329 2.984 4.288 . 0 0 "[ . 1 . 2]" 1
1300 1 41 LYS QB 1 42 THR MG . . 5.500 4.758 3.251 5.493 . 0 0 "[ . 1 . 2]" 1
1301 1 68 LYS QB 1 74 ALA MB . . 5.500 4.431 4.298 4.533 . 0 0 "[ . 1 . 2]" 1
1302 1 39 LEU HA 1 39 LEU MD2 . . 4.770 2.433 2.024 2.931 . 0 0 "[ . 1 . 2]" 1
1303 1 39 LEU H 1 39 LEU MD1 . . 4.780 3.587 2.961 3.910 . 0 0 "[ . 1 . 2]" 1
1304 1 10 ILE H 1 25 LEU MD2 . . 4.810 4.365 4.191 4.555 . 0 0 "[ . 1 . 2]" 1
1305 1 39 LEU MD1 1 40 ASP H . . 5.320 4.775 4.512 5.038 . 0 0 "[ . 1 . 2]" 1
1306 1 10 ILE HA 1 25 LEU MD2 . . 5.500 4.852 4.573 5.104 . 0 0 "[ . 1 . 2]" 1
1307 1 39 LEU MD1 1 45 LYS HA . . 5.500 5.211 4.669 5.499 . 0 0 "[ . 1 . 2]" 1
1308 1 39 LEU MD1 1 46 CYS HA . . 5.500 4.689 4.502 4.881 . 0 0 "[ . 1 . 2]" 1
1309 1 25 LEU MD2 1 26 CYS HB2 . . 5.500 5.446 5.242 5.501 0.001 12 0 "[ . 1 . 2]" 1
1310 1 39 LEU HB3 1 39 LEU MD1 . . 3.340 2.536 2.320 2.799 . 0 0 "[ . 1 . 2]" 1
1311 1 22 LEU MD2 1 25 LEU MD2 . . 3.560 2.497 2.234 2.689 . 0 0 "[ . 1 . 2]" 1
1312 1 39 LEU MD2 1 44 ASN HA . . 4.880 4.301 4.080 4.556 . 0 0 "[ . 1 . 2]" 1
1313 1 38 ILE HG13 1 51 PHE QD . . 4.480 4.240 3.956 4.386 . 0 0 "[ . 1 . 2]" 1
1314 1 38 ILE HG12 1 51 PHE QD . . 4.700 4.283 4.039 4.465 . 0 0 "[ . 1 . 2]" 1
1315 1 17 THR HB 1 37 ALA MB . . 3.890 3.803 3.562 3.893 0.003 15 0 "[ . 1 . 2]" 1
1316 1 36 LYS HA 1 37 ALA H . . 2.960 2.160 2.142 2.192 . 0 0 "[ . 1 . 2]" 1
1317 1 36 LYS HA 1 36 LYS QD . . 3.580 2.164 2.044 2.314 . 0 0 "[ . 1 . 2]" 1
1318 1 36 LYS QG 1 51 PHE QD . . 5.410 4.263 4.095 4.386 . 0 0 "[ . 1 . 2]" 1
1319 1 32 ILE MG 1 35 THR HA . . 5.500 3.915 3.717 4.058 . 0 0 "[ . 1 . 2]" 1
1320 1 35 THR MG 1 51 PHE QD . . 5.500 5.262 5.020 5.498 . 0 0 "[ . 1 . 2]" 1
1321 1 35 THR MG 1 54 PHE QE . . 5.500 5.098 4.822 5.468 . 0 0 "[ . 1 . 2]" 1
1322 1 22 LEU H 1 35 THR MG . . 4.310 4.209 4.086 4.307 . 0 0 "[ . 1 . 2]" 1
1323 1 23 VAL HB 1 35 THR MG . . 5.500 3.980 3.758 4.155 . 0 0 "[ . 1 . 2]" 1
1324 1 22 LEU HB3 1 35 THR MG . . 3.170 2.547 2.010 2.867 . 0 0 "[ . 1 . 2]" 1
1325 1 32 ILE HA 1 33 VAL MG2 . . 3.710 3.475 3.323 3.589 . 0 0 "[ . 1 . 2]" 1
1326 1 10 ILE MG 1 72 VAL HB . . 4.270 4.028 3.890 4.144 . 0 0 "[ . 1 . 2]" 1
1327 1 31 LYS HG2 1 33 VAL HA . . 5.500 4.921 4.738 5.146 . 0 0 "[ . 1 . 2]" 1
1328 1 31 LYS HG2 1 55 ASP HB3 . . 4.630 3.089 2.510 4.494 . 0 0 "[ . 1 . 2]" 1
1329 1 31 LYS HG2 1 55 ASP HB2 . . 4.630 4.052 2.916 4.452 . 0 0 "[ . 1 . 2]" 1
1330 1 31 LYS H 1 31 LYS QD . . 4.990 4.097 3.949 4.316 . 0 0 "[ . 1 . 2]" 1
1331 1 29 TYR HB3 1 63 ALA HA . . 4.110 3.935 3.819 4.064 . 0 0 "[ . 1 . 2]" 1
1332 1 28 PRO HD2 1 29 TYR HB2 . . 4.630 4.572 4.535 4.618 . 0 0 "[ . 1 . 2]" 1
1333 1 29 TYR QD 1 62 LYS HD2 . . 4.360 3.900 3.576 4.328 . 0 0 "[ . 1 . 2]" 1
1334 1 29 TYR QD 1 62 LYS HG2 . . 4.150 3.647 3.342 4.014 . 0 0 "[ . 1 . 2]" 1
1335 1 29 TYR QE 1 67 LEU HB2 . . 5.360 5.300 5.207 5.376 0.016 17 0 "[ . 1 . 2]" 1
1336 1 26 CYS HB3 1 29 TYR QE . . 5.500 4.741 4.660 4.853 . 0 0 "[ . 1 . 2]" 1
1337 1 28 PRO HD3 1 29 TYR QE . . 5.500 4.833 4.754 5.001 . 0 0 "[ . 1 . 2]" 1
1338 1 26 CYS H 1 28 PRO HD3 . . 5.460 5.206 5.093 5.319 . 0 0 "[ . 1 . 2]" 1
1339 1 27 GLN HA 1 32 ILE H . . 5.350 4.809 4.529 5.081 . 0 0 "[ . 1 . 2]" 1
1340 1 26 CYS HA 1 54 PHE HZ . . 4.010 3.949 3.827 4.014 0.004 19 0 "[ . 1 . 2]" 1
1341 1 26 CYS HA 1 29 TYR H . . 3.900 3.484 3.436 3.522 . 0 0 "[ . 1 . 2]" 1
1342 1 26 CYS HB3 1 54 PHE HZ . . 3.200 2.029 1.993 2.120 . 0 0 "[ . 1 . 2]" 1
1343 1 22 LEU HA 1 25 LEU HG . . 5.210 4.928 4.817 5.049 . 0 0 "[ . 1 . 2]" 1
1344 1 22 LEU H 1 25 LEU MD2 . . 5.500 5.093 4.760 5.410 . 0 0 "[ . 1 . 2]" 1
1345 1 25 LEU MD2 1 26 CYS H . . 5.500 4.745 4.654 4.858 . 0 0 "[ . 1 . 2]" 1
1346 1 29 TYR QD 1 62 LYS HB2 . . 5.030 4.942 4.730 5.035 0.005 15 0 "[ . 1 . 2]" 1
1347 1 29 TYR QD 1 62 LYS HB3 . . 5.270 3.271 3.072 3.377 . 0 0 "[ . 1 . 2]" 1
1348 1 23 VAL MG1 1 24 LYS QB . . 4.530 4.297 3.871 4.460 . 0 0 "[ . 1 . 2]" 1
1349 1 20 GLN HB3 1 23 VAL HB . . 4.450 4.090 3.836 4.443 . 0 0 "[ . 1 . 2]" 1
1350 1 23 VAL MG2 1 35 THR HB . . 4.390 3.643 3.201 3.833 . 0 0 "[ . 1 . 2]" 1
1351 1 22 LEU HB2 1 23 VAL MG2 . . 4.380 3.469 3.324 3.631 . 0 0 "[ . 1 . 2]" 1
1352 1 23 VAL MG2 1 32 ILE HB . . 4.430 3.734 3.346 3.932 . 0 0 "[ . 1 . 2]" 1
1353 1 23 VAL MG1 1 27 GLN H . . 4.360 4.139 4.056 4.200 . 0 0 "[ . 1 . 2]" 1
1354 1 22 LEU HA 1 25 LEU MD1 . . 3.800 3.566 3.244 3.789 . 0 0 "[ . 1 . 2]" 1
1355 1 22 LEU HA 1 35 THR MG . . 4.380 4.016 3.629 4.239 . 0 0 "[ . 1 . 2]" 1
1356 1 22 LEU HB2 1 52 VAL MG2 . . 3.960 3.429 3.221 3.660 . 0 0 "[ . 1 . 2]" 1
1357 1 22 LEU MD2 1 50 GLY HA2 . . 5.470 2.874 2.387 3.237 . 0 0 "[ . 1 . 2]" 1
1358 1 22 LEU MD2 1 37 ALA HA . . 4.910 3.163 2.838 3.421 . 0 0 "[ . 1 . 2]" 1
1359 1 21 ASP HA 1 23 VAL H . . 4.740 4.464 4.280 4.685 . 0 0 "[ . 1 . 2]" 1
1360 1 21 ASP HA 1 24 LYS QD . . 4.320 2.962 2.329 3.661 . 0 0 "[ . 1 . 2]" 1
1361 1 20 GLN HA 1 24 LYS H . . 4.600 4.500 4.323 4.600 . 0 0 "[ . 1 . 2]" 1
1362 1 20 GLN HA 1 22 LEU H . . 4.360 4.032 3.738 4.218 . 0 0 "[ . 1 . 2]" 1
1363 1 18 THR HA 1 37 ALA MB . . 5.000 3.541 3.132 3.971 . 0 0 "[ . 1 . 2]" 1
1364 1 17 THR HA 1 21 ASP HB2 . . 4.630 3.351 2.904 3.775 . 0 0 "[ . 1 . 2]" 1
1365 1 14 GLN HG2 1 17 THR HG1 . . 5.500 4.784 4.371 5.140 . 0 0 "[ . 1 . 2]" 1
1366 1 14 GLN HG3 1 17 THR HG1 . . 5.500 4.602 3.805 5.011 . 0 0 "[ . 1 . 2]" 1
1367 1 10 ILE H 1 13 LEU MD1 . . 4.740 4.295 4.110 4.505 . 0 0 "[ . 1 . 2]" 1
1368 1 13 LEU MD1 1 51 PHE H . . 5.180 4.546 4.452 4.631 . 0 0 "[ . 1 . 2]" 1
1369 1 10 ILE HA 1 13 LEU MD2 . . 5.500 4.191 4.026 4.385 . 0 0 "[ . 1 . 2]" 1
1370 1 13 LEU MD2 1 50 GLY HA2 . . 5.500 5.128 4.920 5.393 . 0 0 "[ . 1 . 2]" 1
1371 1 11 ARG HA 1 13 LEU MD2 . . 5.500 3.242 2.958 3.507 . 0 0 "[ . 1 . 2]" 1
1372 1 13 LEU MD2 1 25 LEU MD2 . . 3.080 2.830 2.695 3.017 . 0 0 "[ . 1 . 2]" 1
1373 1 8 LEU HA 1 52 VAL H . . 5.210 4.516 4.430 4.602 . 0 0 "[ . 1 . 2]" 1
1374 1 11 ARG HA 1 50 GLY H . . 3.840 3.572 3.462 3.656 . 0 0 "[ . 1 . 2]" 1
1375 1 11 ARG HA 1 13 LEU HG . . 3.730 3.271 3.068 3.374 . 0 0 "[ . 1 . 2]" 1
1376 1 9 TYR QE 1 11 ARG HG3 . . 5.220 2.859 2.132 3.526 . 0 0 "[ . 1 . 2]" 1
1377 1 38 ILE HG13 1 49 TYR HB2 . . 4.580 2.439 2.173 2.709 . 0 0 "[ . 1 . 2]" 1
1378 1 11 ARG HG2 1 49 TYR HB2 . . 5.380 4.678 4.154 5.027 . 0 0 "[ . 1 . 2]" 1
1379 1 11 ARG HG3 1 49 TYR HB3 . . 3.830 3.253 2.836 3.824 . 0 0 "[ . 1 . 2]" 1
1380 1 11 ARG H 1 11 ARG QD . . 4.890 3.121 2.425 4.024 . 0 0 "[ . 1 . 2]" 1
1381 1 11 ARG QD 1 12 GLY H . . 5.500 4.944 4.576 5.328 . 0 0 "[ . 1 . 2]" 1
1382 1 10 ILE HB 1 50 GLY HA3 . . 5.500 3.824 3.577 4.002 . 0 0 "[ . 1 . 2]" 1
1383 1 10 ILE HG12 1 11 ARG H . . 5.500 5.116 4.925 5.246 . 0 0 "[ . 1 . 2]" 1
1384 1 10 ILE MG 1 50 GLY H . . 4.450 4.040 3.884 4.263 . 0 0 "[ . 1 . 2]" 1
1385 1 10 ILE MG 1 72 VAL MG2 . . 2.820 1.852 1.745 1.958 . 0 0 "[ . 1 . 2]" 1
1386 1 10 ILE MD 1 25 LEU MD2 . . 2.620 2.073 1.835 2.351 . 0 0 "[ . 1 . 2]" 1
1387 1 9 TYR HA 1 10 ILE MG . . 5.500 5.507 5.492 5.518 0.018 10 0 "[ . 1 . 2]" 1
1388 1 9 TYR HB3 1 75 GLN H . . 4.610 3.212 2.984 3.365 . 0 0 "[ . 1 . 2]" 1
1389 1 9 TYR HB2 1 51 PHE QE . . 4.380 3.642 3.409 3.902 . 0 0 "[ . 1 . 2]" 1
1390 1 9 TYR HB3 1 51 PHE QE . . 5.500 5.219 5.020 5.479 . 0 0 "[ . 1 . 2]" 1
1391 1 9 TYR HB2 1 51 PHE QD . . 4.510 4.093 3.823 4.301 . 0 0 "[ . 1 . 2]" 1
1392 1 9 TYR H 1 9 TYR QD . . 4.990 4.428 4.368 4.468 . 0 0 "[ . 1 . 2]" 1
1393 1 9 TYR QD 1 51 PHE QE . . 3.740 2.327 2.002 2.774 . 0 0 "[ . 1 . 2]" 1
1394 1 9 TYR QD 1 51 PHE QD . . 3.580 2.146 2.001 2.524 . 0 0 "[ . 1 . 2]" 1
1395 1 9 TYR QE 1 38 ILE HG13 . . 5.500 2.705 2.298 3.009 . 0 0 "[ . 1 . 2]" 1
1396 1 9 TYR QE 1 11 ARG HB2 . . 5.380 5.017 4.604 5.316 . 0 0 "[ . 1 . 2]" 1
1397 1 9 TYR QE 1 51 PHE QD . . 4.310 2.834 2.540 3.276 . 0 0 "[ . 1 . 2]" 1
1398 1 9 TYR QE 1 51 PHE QE . . 4.250 3.713 3.488 4.067 . 0 0 "[ . 1 . 2]" 1
1399 1 8 LEU HA 1 8 LEU HG . . 3.470 2.861 2.764 2.927 . 0 0 "[ . 1 . 2]" 1
1400 1 8 LEU MD1 1 54 PHE QD . . 4.160 2.269 1.968 2.567 . 0 0 "[ . 1 . 2]" 1
1401 1 8 LEU MD2 1 10 ILE MD . . 3.650 3.598 3.435 3.651 0.001 6 0 "[ . 1 . 2]" 1
1402 1 8 LEU MD2 1 52 VAL MG1 . . 5.480 4.625 4.380 4.936 . 0 0 "[ . 1 . 2]" 1
1403 1 7 GLY HA2 1 8 LEU MD1 . . 5.500 4.458 4.189 4.709 . 0 0 "[ . 1 . 2]" 1
1404 1 6 SER HB3 1 60 ALA H . . 5.500 4.916 4.642 5.208 . 0 0 "[ . 1 . 2]" 1
1405 1 5 SER QB 1 7 GLY H . . 4.560 2.489 2.102 3.396 . 0 0 "[ . 1 . 2]" 1
1406 1 5 SER QB 1 57 PRO HB3 . . 4.700 4.441 3.494 4.703 0.003 8 0 "[ . 1 . 2]" 1
1407 1 5 SER QB 1 77 ALA MB . . 4.390 3.953 3.727 4.385 . 0 0 "[ . 1 . 2]" 1
1408 1 5 SER HA 1 7 GLY H . . 4.910 3.982 3.814 4.164 . 0 0 "[ . 1 . 2]" 1
1409 1 5 SER HA 1 76 MET ME . . 5.300 4.421 4.159 4.758 . 0 0 "[ . 1 . 2]" 1
1410 1 5 SER HA 1 57 PRO HG3 . . 5.500 4.632 4.188 5.310 . 0 0 "[ . 1 . 2]" 1
1411 1 5 SER HA 1 57 PRO HB3 . . 5.230 2.870 2.524 3.956 . 0 0 "[ . 1 . 2]" 1
1412 1 36 LYS H 1 51 PHE QD . . 4.330 3.886 3.588 4.090 . 0 0 "[ . 1 . 2]" 1
1413 1 51 PHE H 1 51 PHE QD . . 4.760 4.245 4.174 4.288 . 0 0 "[ . 1 . 2]" 1
1414 1 50 GLY HA2 1 51 PHE QD . . 5.500 5.372 5.267 5.458 . 0 0 "[ . 1 . 2]" 1
1415 1 31 LYS HB3 1 54 PHE QD . . 4.220 3.922 3.706 4.176 . 0 0 "[ . 1 . 2]" 1
1416 1 51 PHE QD 1 77 ALA MB . . 3.920 3.774 3.546 3.911 . 0 0 "[ . 1 . 2]" 1
1417 1 26 CYS H 1 52 VAL MG1 . . 5.420 3.914 3.724 4.097 . 0 0 "[ . 1 . 2]" 1
1418 1 33 VAL H 1 52 VAL MG1 . . 5.500 4.711 4.450 4.891 . 0 0 "[ . 1 . 2]" 1
1419 1 32 ILE HG13 1 52 VAL MG1 . . 4.630 4.124 3.904 4.293 . 0 0 "[ . 1 . 2]" 1
1420 1 32 ILE MG 1 52 VAL MG1 . . 3.150 2.013 1.875 2.244 . 0 0 "[ . 1 . 2]" 1
1421 1 33 VAL MG1 1 54 PHE HA . . 5.500 5.171 4.984 5.315 . 0 0 "[ . 1 . 2]" 1
1422 1 32 ILE HG12 1 54 PHE HA . . 4.120 3.979 3.848 4.123 0.003 5 0 "[ . 1 . 2]" 1
1423 1 54 PHE HA 1 60 ALA MB . . 5.010 4.817 4.593 4.951 . 0 0 "[ . 1 . 2]" 1
1424 1 54 PHE HB3 1 60 ALA MB . . 3.800 3.715 3.394 3.799 . 0 0 "[ . 1 . 2]" 1
1425 1 30 GLY HA3 1 54 PHE QD . . 4.690 3.015 2.836 3.149 . 0 0 "[ . 1 . 2]" 1
1426 1 51 PHE QD 1 52 VAL HA . . 5.380 3.718 3.553 4.105 . 0 0 "[ . 1 . 2]" 1
1427 1 54 PHE QD 1 56 SER H . . 5.500 3.972 3.859 4.184 . 0 0 "[ . 1 . 2]" 1
1428 1 52 VAL MG1 1 54 PHE QD . . 4.780 2.624 2.328 3.157 . 0 0 "[ . 1 . 2]" 1
1429 1 40 ASP H 1 44 ASN HA . . 5.150 2.396 1.959 2.790 . 0 0 "[ . 1 . 2]" 1
1430 1 54 PHE HA 1 55 ASP HA . . 5.280 4.309 4.303 4.313 . 0 0 "[ . 1 . 2]" 1
1431 1 31 LYS QD 1 55 ASP HB3 . . 4.050 3.334 2.967 4.025 . 0 0 "[ . 1 . 2]" 1
1432 1 38 ILE MD 1 49 TYR HB2 . . 4.270 3.913 3.742 4.038 . 0 0 "[ . 1 . 2]" 1
1433 1 56 SER HB2 1 59 ALA H . . 3.870 3.152 2.861 3.862 . 0 0 "[ . 1 . 2]" 1
1434 1 57 PRO HA 1 59 ALA H . . 5.500 3.787 3.684 4.311 . 0 0 "[ . 1 . 2]" 1
1435 1 29 TYR HB3 1 62 LYS HB3 . . 5.040 2.955 2.761 3.175 . 0 0 "[ . 1 . 2]" 1
1436 1 56 SER HA 1 57 PRO HG2 . . 4.810 4.473 4.408 4.573 . 0 0 "[ . 1 . 2]" 1
1437 1 56 SER H 1 57 PRO HD2 . . 5.500 4.798 4.780 4.811 . 0 0 "[ . 1 . 2]" 1
1438 1 55 ASP H 1 59 ALA MB . . 4.810 3.919 3.642 4.046 . 0 0 "[ . 1 . 2]" 1
1439 1 59 ALA MB 1 61 GLN H . . 4.920 4.574 4.435 4.822 . 0 0 "[ . 1 . 2]" 1
1440 1 9 TYR HA 1 77 ALA MB . . 4.710 4.276 3.862 4.712 0.002 11 0 "[ . 1 . 2]" 1
1441 1 54 PHE HA 1 59 ALA MB . . 5.120 4.516 4.379 4.660 . 0 0 "[ . 1 . 2]" 1
1442 1 7 GLY HA2 1 60 ALA MB . . 5.030 4.330 4.227 4.426 . 0 0 "[ . 1 . 2]" 1
1443 1 53 ASP HA 1 60 ALA MB . . 5.500 4.311 4.197 4.436 . 0 0 "[ . 1 . 2]" 1
1444 1 7 GLY HA3 1 60 ALA MB . . 5.270 5.076 5.010 5.158 . 0 0 "[ . 1 . 2]" 1
1445 1 6 SER HB3 1 60 ALA MB . . 4.120 3.960 3.771 4.087 . 0 0 "[ . 1 . 2]" 1
1446 1 61 GLN QG 1 62 LYS H . . 4.670 4.053 3.903 4.142 . 0 0 "[ . 1 . 2]" 1
1447 1 59 ALA H 1 61 GLN QG . . 4.830 4.717 4.538 4.832 0.002 20 0 "[ . 1 . 2]" 1
1448 1 61 GLN QG 1 64 VAL MG1 . . 5.020 4.916 4.792 5.020 0.000 20 0 "[ . 1 . 2]" 1
1449 1 68 LYS HA 1 68 LYS HD3 . . 5.020 4.373 4.164 4.642 . 0 0 "[ . 1 . 2]" 1
1450 1 68 LYS HA 1 68 LYS HD2 . . 5.020 4.673 4.275 4.753 . 0 0 "[ . 1 . 2]" 1
1451 1 63 ALA HA 1 65 THR H . . 5.500 4.425 4.185 4.718 . 0 0 "[ . 1 . 2]" 1
1452 1 29 TYR HB2 1 63 ALA HA . . 5.500 4.827 4.646 4.982 . 0 0 "[ . 1 . 2]" 1
1453 1 26 CYS HB3 1 63 ALA HA . . 5.000 4.439 4.171 4.665 . 0 0 "[ . 1 . 2]" 1
1454 1 63 ALA MB 1 67 LEU H . . 5.500 4.065 3.924 4.213 . 0 0 "[ . 1 . 2]" 1
1455 1 29 TYR QE 1 63 ALA MB . . 4.620 3.671 3.510 3.863 . 0 0 "[ . 1 . 2]" 1
1456 1 29 TYR HA 1 63 ALA MB . . 5.500 5.403 5.293 5.491 . 0 0 "[ . 1 . 2]" 1
1457 1 63 ALA MB 1 64 VAL HB . . 5.380 4.513 4.385 4.603 . 0 0 "[ . 1 . 2]" 1
1458 1 63 ALA MB 1 76 MET ME . . 5.500 4.851 4.472 5.319 . 0 0 "[ . 1 . 2]" 1
1459 1 62 LYS HB3 1 63 ALA MB . . 4.450 3.892 3.813 3.941 . 0 0 "[ . 1 . 2]" 1
1460 1 8 LEU HG 1 63 ALA MB . . 4.590 4.397 4.244 4.565 . 0 0 "[ . 1 . 2]" 1
1461 1 8 LEU MD1 1 63 ALA MB . . 3.500 2.275 1.965 2.629 . 0 0 "[ . 1 . 2]" 1
1462 1 64 VAL HA 1 66 ALA H . . 5.140 4.658 4.501 4.796 . 0 0 "[ . 1 . 2]" 1
1463 1 64 VAL HA 1 67 LEU HG . . 4.300 4.089 3.895 4.253 . 0 0 "[ . 1 . 2]" 1
1464 1 61 GLN H 1 64 VAL HB . . 5.500 5.392 5.287 5.451 . 0 0 "[ . 1 . 2]" 1
1465 1 63 ALA H 1 64 VAL HB . . 5.500 4.775 4.656 4.916 . 0 0 "[ . 1 . 2]" 1
1466 1 61 GLN H 1 64 VAL MG2 . . 5.500 4.649 4.555 4.792 . 0 0 "[ . 1 . 2]" 1
1467 1 63 ALA H 1 64 VAL MG2 . . 5.500 4.228 4.041 4.548 . 0 0 "[ . 1 . 2]" 1
1468 1 64 VAL MG2 1 65 THR H . . 4.770 3.843 3.786 3.904 . 0 0 "[ . 1 . 2]" 1
1469 1 8 LEU HA 1 64 VAL MG2 . . 4.790 3.867 3.685 3.972 . 0 0 "[ . 1 . 2]" 1
1470 1 64 VAL MG2 1 68 LYS QE . . 5.500 5.190 3.614 5.508 0.008 19 0 "[ . 1 . 2]" 1
1471 1 64 VAL MG2 1 67 LEU MD1 . . 3.690 3.572 3.302 3.675 . 0 0 "[ . 1 . 2]" 1
1472 1 64 VAL MG1 1 68 LYS HG2 . . 4.480 3.590 3.385 3.769 . 0 0 "[ . 1 . 2]" 1
1473 1 65 THR H 1 66 ALA MB . . 5.080 4.445 4.300 4.652 . 0 0 "[ . 1 . 2]" 1
1474 1 66 ALA MB 1 67 LEU MD1 . . 5.500 4.644 4.527 4.701 . 0 0 "[ . 1 . 2]" 1
1475 1 67 LEU HA 1 70 SER HB2 . . 2.530 2.301 2.189 2.437 . 0 0 "[ . 1 . 2]" 1
1476 1 66 ALA H 1 67 LEU HB2 . . 5.500 4.671 4.599 4.761 . 0 0 "[ . 1 . 2]" 1
1477 1 67 LEU HB2 1 69 ALA H . . 5.500 5.104 4.815 5.256 . 0 0 "[ . 1 . 2]" 1
1478 1 29 TYR QD 1 67 LEU HG . . 5.500 4.458 4.314 4.546 . 0 0 "[ . 1 . 2]" 1
1479 1 64 VAL H 1 67 LEU HG . . 5.500 4.576 4.369 4.767 . 0 0 "[ . 1 . 2]" 1
1480 1 67 LEU HG 1 68 LYS H . . 5.500 4.314 4.257 4.392 . 0 0 "[ . 1 . 2]" 1
1481 1 25 LEU HB3 1 67 LEU MD1 . . 4.550 4.227 4.045 4.468 . 0 0 "[ . 1 . 2]" 1
1482 1 67 LEU MD2 1 72 VAL H . . 5.500 5.057 4.917 5.245 . 0 0 "[ . 1 . 2]" 1
1483 1 67 LEU MD2 1 68 LYS H . . 5.500 4.614 4.548 4.678 . 0 0 "[ . 1 . 2]" 1
1484 1 64 VAL HA 1 67 LEU MD2 . . 5.500 5.132 4.939 5.245 . 0 0 "[ . 1 . 2]" 1
1485 1 66 ALA MB 1 67 LEU MD2 . . 3.550 3.459 3.370 3.529 . 0 0 "[ . 1 . 2]" 1
1486 1 68 LYS HA 1 74 ALA H . . 4.040 3.915 3.798 4.022 . 0 0 "[ . 1 . 2]" 1
1487 1 68 LYS HA 1 71 GLY H . . 3.770 3.586 3.477 3.667 . 0 0 "[ . 1 . 2]" 1
1488 1 65 THR HA 1 68 LYS HG3 . . 5.500 4.378 4.066 4.473 . 0 0 "[ . 1 . 2]" 1
1489 1 64 VAL HA 1 68 LYS HG3 . . 5.500 3.353 3.258 3.432 . 0 0 "[ . 1 . 2]" 1
1490 1 64 VAL MG1 1 68 LYS HG3 . . 3.840 2.336 2.136 2.617 . 0 0 "[ . 1 . 2]" 1
1491 1 68 LYS HG2 1 74 ALA MB . . 4.940 3.831 3.533 3.978 . 0 0 "[ . 1 . 2]" 1
1492 1 67 LEU H 1 69 ALA MB . . 5.500 5.099 4.819 5.215 . 0 0 "[ . 1 . 2]" 1
1493 1 70 SER HB2 1 72 VAL H . . 4.520 4.181 4.058 4.365 . 0 0 "[ . 1 . 2]" 1
1494 1 69 ALA MB 1 70 SER HB2 . . 5.070 4.255 4.174 4.357 . 0 0 "[ . 1 . 2]" 1
1495 1 69 ALA MB 1 70 SER HB3 . . 5.500 5.360 5.295 5.417 . 0 0 "[ . 1 . 2]" 1
1496 1 72 VAL HA 1 73 GLN HA . . 5.260 4.335 4.330 4.342 . 0 0 "[ . 1 . 2]" 1
1497 1 72 VAL HA 1 73 GLN HG2 . . 4.960 4.467 4.045 4.960 . 0 0 "[ . 1 . 2]" 1
1498 1 72 VAL HA 1 73 GLN QB . . 4.490 4.428 4.346 4.491 0.001 12 0 "[ . 1 . 2]" 1
1499 1 72 VAL MG1 1 74 ALA HA . . 5.500 4.525 4.254 4.866 . 0 0 "[ . 1 . 2]" 1
1500 1 71 GLY HA2 1 72 VAL MG1 . . 5.310 4.735 4.620 4.822 . 0 0 "[ . 1 . 2]" 1
1501 1 73 GLN HA 1 73 GLN HG2 . . 3.730 2.368 2.251 2.472 . 0 0 "[ . 1 . 2]" 1
1502 1 10 ILE HA 1 73 GLN QB . . 5.500 4.249 4.159 4.326 . 0 0 "[ . 1 . 2]" 1
1503 1 75 GLN HA 1 75 GLN HG2 . . 4.060 3.577 2.808 3.979 . 0 0 "[ . 1 . 2]" 1
1504 1 9 TYR H 1 74 ALA HA . . 5.500 4.086 3.980 4.313 . 0 0 "[ . 1 . 2]" 1
1505 1 67 LEU MD1 1 74 ALA MB . . 3.040 2.047 1.861 2.199 . 0 0 "[ . 1 . 2]" 1
1506 1 64 VAL MG2 1 74 ALA MB . . 2.830 2.608 2.328 2.802 . 0 0 "[ . 1 . 2]" 1
1507 1 64 VAL HB 1 74 ALA MB . . 5.010 4.654 4.451 4.790 . 0 0 "[ . 1 . 2]" 1
1508 1 67 LEU HA 1 74 ALA MB . . 5.500 4.561 4.359 4.718 . 0 0 "[ . 1 . 2]" 1
1509 1 67 LEU H 1 74 ALA MB . . 4.910 4.573 4.445 4.683 . 0 0 "[ . 1 . 2]" 1
1510 1 9 TYR HB3 1 75 GLN HG3 . . 4.420 3.000 2.122 4.262 . 0 0 "[ . 1 . 2]" 1
1511 1 9 TYR HB3 1 75 GLN HG2 . . 4.420 2.611 1.995 4.319 . 0 0 "[ . 1 . 2]" 1
1512 1 60 ALA H 1 76 MET ME . . 5.280 4.002 3.624 4.186 . 0 0 "[ . 1 . 2]" 1
1513 1 59 ALA H 1 76 MET ME . . 5.500 5.463 5.334 5.507 0.007 6 0 "[ . 1 . 2]" 1
1514 1 6 SER H 1 76 MET ME . . 5.500 4.145 3.179 4.468 . 0 0 "[ . 1 . 2]" 1
1515 1 64 VAL H 1 76 MET ME . . 5.500 4.745 4.150 5.422 . 0 0 "[ . 1 . 2]" 1
1516 1 76 MET H 1 76 MET ME . . 5.500 4.425 4.254 4.695 . 0 0 "[ . 1 . 2]" 1
1517 1 28 PRO HB3 1 29 TYR QE . . 5.480 5.458 5.410 5.481 0.001 12 0 "[ . 1 . 2]" 1
1518 1 29 TYR H 1 29 TYR QE . . 4.750 4.414 4.345 4.491 . 0 0 "[ . 1 . 2]" 1
1519 1 29 TYR QE 1 66 ALA H . . 5.450 4.165 3.987 4.365 . 0 0 "[ . 1 . 2]" 1
1520 1 29 TYR QE 1 67 LEU H . . 5.500 3.229 3.156 3.355 . 0 0 "[ . 1 . 2]" 1
1521 1 54 PHE HB3 1 60 ALA H . . 4.660 3.571 3.382 3.832 . 0 0 "[ . 1 . 2]" 1
1522 1 54 PHE HB2 1 60 ALA H . . 4.070 3.178 2.954 3.610 . 0 0 "[ . 1 . 2]" 1
1523 1 52 VAL MG1 1 54 PHE HZ . . 4.360 3.451 3.249 3.693 . 0 0 "[ . 1 . 2]" 1
1524 1 32 ILE HG12 1 54 PHE HZ . . 5.380 3.009 2.819 3.254 . 0 0 "[ . 1 . 2]" 1
1525 1 8 LEU MD1 1 54 PHE HZ . . 4.330 3.612 3.466 3.884 . 0 0 "[ . 1 . 2]" 1
1526 1 29 TYR HB2 1 54 PHE HZ . . 4.580 2.593 2.390 2.813 . 0 0 "[ . 1 . 2]" 1
1527 1 32 ILE HG12 1 54 PHE QE . . 4.990 2.986 2.802 3.199 . 0 0 "[ . 1 . 2]" 1
1528 1 8 LEU HG 1 54 PHE QE . . 4.850 4.254 4.036 4.728 . 0 0 "[ . 1 . 2]" 1
1529 1 29 TYR HB2 1 54 PHE QE . . 4.960 3.317 3.160 3.472 . 0 0 "[ . 1 . 2]" 1
1530 1 38 ILE MD 1 51 PHE QE . . 4.520 4.503 4.482 4.520 0.000 8 0 "[ . 1 . 2]" 1
1531 1 51 PHE QE 1 77 ALA MB . . 4.410 2.353 2.063 2.584 . 0 0 "[ . 1 . 2]" 1
1532 1 6 SER QB 1 53 ASP HA . . 5.340 3.855 3.555 4.030 . 0 0 "[ . 1 . 2]" 1
1533 1 6 SER QB 1 54 PHE H . . 3.700 2.001 1.887 2.246 . 0 0 "[ . 1 . 2]" 1
1534 1 6 SER QB 1 54 PHE HA . . 5.340 3.759 3.624 4.057 . 0 0 "[ . 1 . 2]" 1
1535 1 6 SER QB 1 54 PHE HB2 . . 4.220 2.189 2.026 2.862 . 0 0 "[ . 1 . 2]" 1
1536 1 6 SER QB 1 54 PHE QD . . 5.250 3.952 3.824 4.207 . 0 0 "[ . 1 . 2]" 1
1537 1 6 SER QB 1 56 SER H . . 3.240 2.959 2.586 3.210 . 0 0 "[ . 1 . 2]" 1
1538 1 6 SER QB 1 56 SER HA . . 4.460 3.366 3.044 3.584 . 0 0 "[ . 1 . 2]" 1
1539 1 6 SER QB 1 57 PRO HA . . 3.830 3.009 2.746 3.315 . 0 0 "[ . 1 . 2]" 1
1540 1 6 SER QB 1 57 PRO HB3 . . 5.340 3.920 3.671 4.120 . 0 0 "[ . 1 . 2]" 1
1541 1 6 SER QB 1 57 PRO HG3 . . 5.120 5.065 4.790 5.124 0.004 5 0 "[ . 1 . 2]" 1
1542 1 6 SER QB 1 57 PRO HD2 . . 5.010 4.563 4.264 4.667 . 0 0 "[ . 1 . 2]" 1
1543 1 6 SER QB 1 57 PRO HD3 . . 5.020 3.473 3.191 3.599 . 0 0 "[ . 1 . 2]" 1
1544 1 6 SER QB 1 60 ALA MB . . 3.600 3.155 2.966 3.350 . 0 0 "[ . 1 . 2]" 1
1545 1 9 TYR QD 1 75 GLN QB . . 5.340 5.004 4.015 5.342 0.002 20 0 "[ . 1 . 2]" 1
1546 1 9 TYR QD 1 75 GLN QG . . 4.240 3.603 3.246 4.242 0.002 6 0 "[ . 1 . 2]" 1
1547 1 10 ILE MG 1 12 GLY QA . . 5.330 4.523 4.419 4.568 . 0 0 "[ . 1 . 2]" 1
1548 1 11 ARG HB2 1 73 GLN QE . . 5.340 4.614 3.300 5.336 . 0 0 "[ . 1 . 2]" 1
1549 1 12 GLY QA 1 73 GLN QB . . 5.340 4.522 4.384 4.715 . 0 0 "[ . 1 . 2]" 1
1550 1 14 GLN H 1 14 GLN QG . . 4.250 3.335 2.679 3.537 . 0 0 "[ . 1 . 2]" 1
1551 1 14 GLN HA 1 14 GLN QG . . 3.430 2.220 2.126 2.448 . 0 0 "[ . 1 . 2]" 1
1552 1 14 GLN HA 1 15 PRO QG . . 4.540 4.055 3.989 4.089 . 0 0 "[ . 1 . 2]" 1
1553 1 14 GLN QG 1 15 PRO HD2 . . 4.040 3.110 2.704 3.266 . 0 0 "[ . 1 . 2]" 1
1554 1 14 GLN QG 1 15 PRO HD3 . . 4.040 3.749 3.528 4.035 . 0 0 "[ . 1 . 2]" 1
1555 1 14 GLN QG 1 17 THR H . . 5.340 5.161 4.869 5.304 . 0 0 "[ . 1 . 2]" 1
1556 1 15 PRO HA 1 45 LYS QB . . 4.430 3.356 2.601 4.026 . 0 0 "[ . 1 . 2]" 1
1557 1 15 PRO HA 1 45 LYS QD . . 4.640 3.919 2.945 4.464 . 0 0 "[ . 1 . 2]" 1
1558 1 15 PRO HA 1 46 CYS QB . . 3.220 2.184 1.989 2.637 . 0 0 "[ . 1 . 2]" 1
1559 1 15 PRO QB 1 45 LYS QB . . 2.820 2.640 2.309 2.814 . 0 0 "[ . 1 . 2]" 1
1560 1 15 PRO QB 1 45 LYS QG . . 4.030 3.697 3.128 4.022 . 0 0 "[ . 1 . 2]" 1
1561 1 15 PRO QB 1 45 LYS QD . . 3.460 2.373 1.961 2.731 . 0 0 "[ . 1 . 2]" 1
1562 1 16 GLY H 1 46 CYS QB . . 5.340 4.184 3.586 4.469 . 0 0 "[ . 1 . 2]" 1
1563 1 16 GLY QA 1 18 THR MG . . 4.700 4.110 3.686 4.433 . 0 0 "[ . 1 . 2]" 1
1564 1 17 THR H 1 46 CYS QB . . 3.930 3.241 2.772 3.610 . 0 0 "[ . 1 . 2]" 1
1565 1 17 THR HA 1 21 ASP QB . . 3.940 2.998 2.691 3.308 . 0 0 "[ . 1 . 2]" 1
1566 1 17 THR MG 1 21 ASP QB . . 3.170 2.053 1.852 2.320 . 0 0 "[ . 1 . 2]" 1
1567 1 17 THR MG 1 46 CYS QB . . 4.740 4.188 3.846 4.622 . 0 0 "[ . 1 . 2]" 1
1568 1 18 THR H 1 21 ASP QB . . 3.320 2.033 1.852 2.498 . 0 0 "[ . 1 . 2]" 1
1569 1 18 THR HB 1 19 ASP QB . . 5.040 3.934 3.433 4.439 . 0 0 "[ . 1 . 2]" 1
1570 1 18 THR MG 1 21 ASP QB . . 5.090 4.244 3.884 4.568 . 0 0 "[ . 1 . 2]" 1
1571 1 19 ASP QB 1 20 GLN H . . 3.560 2.518 1.934 3.235 . 0 0 "[ . 1 . 2]" 1
1572 1 19 ASP QB 1 36 LYS HA . . 4.960 4.469 4.148 4.944 . 0 0 "[ . 1 . 2]" 1
1573 1 20 GLN H 1 20 GLN QG . . 4.500 2.649 1.970 3.405 . 0 0 "[ . 1 . 2]" 1
1574 1 20 GLN HA 1 20 GLN QG . . 3.030 2.290 2.090 2.511 . 0 0 "[ . 1 . 2]" 1
1575 1 20 GLN QG 1 23 VAL MG2 . . 5.230 3.743 3.418 4.094 . 0 0 "[ . 1 . 2]" 1
1576 1 21 ASP H 1 21 ASP QB . . 3.330 2.213 2.055 2.649 . 0 0 "[ . 1 . 2]" 1
1577 1 21 ASP HA 1 24 LYS QG . . 4.770 4.270 2.846 4.717 . 0 0 "[ . 1 . 2]" 1
1578 1 21 ASP QB 1 22 LEU H . . 3.660 2.673 2.545 2.827 . 0 0 "[ . 1 . 2]" 1
1579 1 21 ASP QB 1 22 LEU HG . . 5.340 3.463 3.269 3.656 . 0 0 "[ . 1 . 2]" 1
1580 1 21 ASP QB 1 22 LEU MD2 . . 4.580 3.328 2.848 3.694 . 0 0 "[ . 1 . 2]" 1
1581 1 23 VAL MG1 1 27 GLN QB . . 3.200 2.067 1.956 2.170 . 0 0 "[ . 1 . 2]" 1
1582 1 23 VAL MG1 1 27 GLN QG . . 4.270 3.633 3.447 3.787 . 0 0 "[ . 1 . 2]" 1
1583 1 23 VAL MG1 1 27 GLN QE . . 5.340 2.845 1.806 3.935 . 0 0 "[ . 1 . 2]" 1
1584 1 24 LYS H 1 24 LYS QG . . 3.500 2.825 2.256 3.490 . 0 0 "[ . 1 . 2]" 1
1585 1 24 LYS HA 1 27 GLN QB . . 3.050 2.012 1.944 2.078 . 0 0 "[ . 1 . 2]" 1
1586 1 24 LYS HA 1 27 GLN QG . . 4.020 3.884 3.772 4.018 . 0 0 "[ . 1 . 2]" 1
1587 1 24 LYS HA 1 27 GLN QE . . 3.840 3.304 2.607 3.777 . 0 0 "[ . 1 . 2]" 1
1588 1 24 LYS QE 1 24 LYS QG . . 3.150 2.122 1.946 2.407 . 0 0 "[ . 1 . 2]" 1
1589 1 24 LYS QG 1 25 LEU H . . 4.970 4.284 2.418 4.717 . 0 0 "[ . 1 . 2]" 1
1590 1 27 GLN H 1 27 GLN QB . . 3.160 2.112 2.105 2.115 . 0 0 "[ . 1 . 2]" 1
1591 1 27 GLN H 1 27 GLN QG . . 3.890 3.756 3.744 3.767 . 0 0 "[ . 1 . 2]" 1
1592 1 27 GLN H 1 28 PRO QG . . 4.610 3.902 3.854 3.935 . 0 0 "[ . 1 . 2]" 1
1593 1 27 GLN QB 1 27 GLN QG . . 2.340 2.070 2.053 2.086 . 0 0 "[ . 1 . 2]" 1
1594 1 27 GLN QB 1 28 PRO HD2 . . 4.140 2.465 2.444 2.473 . 0 0 "[ . 1 . 2]" 1
1595 1 27 GLN QB 1 28 PRO HD3 . . 3.670 1.959 1.953 1.969 . 0 0 "[ . 1 . 2]" 1
1596 1 27 GLN QG 1 28 PRO HA . . 5.340 3.056 2.919 3.107 . 0 0 "[ . 1 . 2]" 1
1597 1 27 GLN QG 1 32 ILE MD . . 4.750 4.061 3.915 4.256 . 0 0 "[ . 1 . 2]" 1
1598 1 28 PRO QG 1 29 TYR H . . 4.790 3.267 3.212 3.296 . 0 0 "[ . 1 . 2]" 1
1599 1 31 LYS HB2 1 55 ASP QB . . 3.590 3.532 3.352 3.598 0.008 2 0 "[ . 1 . 2]" 1
1600 1 31 LYS HB3 1 55 ASP QB . . 3.360 2.062 1.997 2.115 . 0 0 "[ . 1 . 2]" 1
1601 1 31 LYS HG2 1 55 ASP QB . . 3.960 2.907 2.471 3.219 . 0 0 "[ . 1 . 2]" 1
1602 1 31 LYS QD 1 55 ASP QB . . 3.500 3.096 2.809 3.275 . 0 0 "[ . 1 . 2]" 1
1603 1 33 VAL HB 1 34 SER QB . . 4.120 3.277 3.100 3.376 . 0 0 "[ . 1 . 2]" 1
1604 1 33 VAL MG1 1 34 SER QB . . 3.790 2.984 2.809 3.332 . 0 0 "[ . 1 . 2]" 1
1605 1 33 VAL MG1 1 55 ASP QB . . 4.300 4.159 3.958 4.314 0.014 8 0 "[ . 1 . 2]" 1
1606 1 33 VAL MG2 1 55 ASP QB . . 3.470 2.651 2.519 3.147 . 0 0 "[ . 1 . 2]" 1
1607 1 34 SER H 1 34 SER QB . . 3.350 2.757 2.694 2.784 . 0 0 "[ . 1 . 2]" 1
1608 1 34 SER QB 1 35 THR H . . 3.460 3.147 2.922 3.332 . 0 0 "[ . 1 . 2]" 1
1609 1 34 SER QB 1 36 LYS HB2 . . 5.340 4.795 4.651 4.876 . 0 0 "[ . 1 . 2]" 1
1610 1 34 SER QB 1 53 ASP HB2 . . 3.680 3.527 3.212 3.681 0.001 1 0 "[ . 1 . 2]" 1
1611 1 34 SER QB 1 53 ASP HB3 . . 5.340 4.630 4.376 4.802 . 0 0 "[ . 1 . 2]" 1
1612 1 36 LYS H 1 51 PHE QB . . 3.710 2.409 2.207 2.555 . 0 0 "[ . 1 . 2]" 1
1613 1 36 LYS HB2 1 51 PHE QB . . 4.150 3.609 3.545 3.724 . 0 0 "[ . 1 . 2]" 1
1614 1 36 LYS HB3 1 51 PHE QB . . 3.480 2.028 1.975 2.152 . 0 0 "[ . 1 . 2]" 1
1615 1 37 ALA MB 1 46 CYS QB . . 4.350 4.214 3.991 4.344 . 0 0 "[ . 1 . 2]" 1
1616 1 38 ILE MG 1 47 LYS QB . . 3.620 2.632 2.150 3.131 . 0 0 "[ . 1 . 2]" 1
1617 1 38 ILE MD 1 51 PHE QB . . 4.550 2.520 2.306 2.750 . 0 0 "[ . 1 . 2]" 1
1618 1 39 LEU MD1 1 44 ASN QB . . 4.280 3.869 2.921 4.239 . 0 0 "[ . 1 . 2]" 1
1619 1 39 LEU MD2 1 46 CYS QB . . 3.610 2.714 2.392 3.178 . 0 0 "[ . 1 . 2]" 1
1620 1 40 ASP H 1 47 LYS QB . . 5.340 4.552 4.040 4.998 . 0 0 "[ . 1 . 2]" 1
1621 1 40 ASP H 1 47 LYS QG . . 4.600 2.865 2.169 3.378 . 0 0 "[ . 1 . 2]" 1
1622 1 40 ASP HA 1 47 LYS QB . . 5.340 4.456 4.165 4.741 . 0 0 "[ . 1 . 2]" 1
1623 1 40 ASP HA 1 47 LYS QG . . 4.300 2.547 2.112 2.903 . 0 0 "[ . 1 . 2]" 1
1624 1 40 ASP QB 1 43 THR H . . 4.300 2.398 2.162 2.653 . 0 0 "[ . 1 . 2]" 1
1625 1 40 ASP QB 1 43 THR HB . . 5.340 3.973 3.605 4.392 . 0 0 "[ . 1 . 2]" 1
1626 1 40 ASP QB 1 43 THR MG . . 4.570 3.993 3.503 4.310 . 0 0 "[ . 1 . 2]" 1
1627 1 40 ASP QB 1 44 ASN H . . 4.630 1.906 1.719 2.325 . 0 0 "[ . 1 . 2]" 1
1628 1 40 ASP QB 1 45 LYS H . . 4.090 2.600 2.016 3.418 . 0 0 "[ . 1 . 2]" 1
1629 1 40 ASP QB 1 47 LYS HA . . 4.630 4.052 3.336 4.588 . 0 0 "[ . 1 . 2]" 1
1630 1 40 ASP QB 1 47 LYS QB . . 5.180 4.789 4.064 5.151 . 0 0 "[ . 1 . 2]" 1
1631 1 40 ASP QB 1 47 LYS QG . . 4.110 2.926 2.060 3.411 . 0 0 "[ . 1 . 2]" 1
1632 1 40 ASP QB 1 47 LYS QD . . 4.000 3.786 3.368 4.000 . 0 0 "[ . 1 . 2]" 1
1633 1 43 THR HB 1 45 LYS QB . . 3.960 2.947 2.607 3.429 . 0 0 "[ . 1 . 2]" 1
1634 1 43 THR HB 1 45 LYS QG . . 3.480 2.136 1.949 2.454 . 0 0 "[ . 1 . 2]" 1
1635 1 43 THR HB 1 45 LYS QD . . 4.120 3.794 2.144 4.120 0.000 5 0 "[ . 1 . 2]" 1
1636 1 43 THR MG 1 45 LYS QD . . 4.790 4.186 2.550 4.738 . 0 0 "[ . 1 . 2]" 1
1637 1 45 LYS H 1 45 LYS QG . . 3.860 2.507 1.901 3.141 . 0 0 "[ . 1 . 2]" 1
1638 1 45 LYS HA 1 45 LYS QG . . 3.520 2.921 2.149 3.365 . 0 0 "[ . 1 . 2]" 1
1639 1 45 LYS HA 1 45 LYS QD . . 4.830 3.907 2.832 4.281 . 0 0 "[ . 1 . 2]" 1
1640 1 45 LYS QD 1 45 LYS QG . . 2.330 2.066 2.014 2.091 . 0 0 "[ . 1 . 2]" 1
1641 1 45 LYS QE 1 45 LYS QG . . 3.180 2.092 1.949 2.326 . 0 0 "[ . 1 . 2]" 1
1642 1 46 CYS HA 1 47 LYS QB . . 5.340 4.286 4.137 4.534 . 0 0 "[ . 1 . 2]" 1
1643 1 46 CYS QB 1 48 GLY H . . 5.030 3.737 3.015 4.467 . 0 0 "[ . 1 . 2]" 1
1644 1 47 LYS H 1 47 LYS QG . . 4.190 2.445 1.956 3.084 . 0 0 "[ . 1 . 2]" 1
1645 1 47 LYS HA 1 47 LYS QG . . 3.240 2.358 2.221 2.563 . 0 0 "[ . 1 . 2]" 1
1646 1 47 LYS QB 1 47 LYS QD . . 3.110 1.978 1.939 2.023 . 0 0 "[ . 1 . 2]" 1
1647 1 47 LYS QB 1 47 LYS QE . . 3.940 3.011 2.591 3.465 . 0 0 "[ . 1 . 2]" 1
1648 1 47 LYS QB 1 48 GLY H . . 4.410 2.804 2.253 3.112 . 0 0 "[ . 1 . 2]" 1
1649 1 47 LYS QB 1 49 TYR QD . . 3.970 2.802 2.514 3.056 . 0 0 "[ . 1 . 2]" 1
1650 1 47 LYS QB 1 49 TYR QE . . 3.380 2.177 1.881 2.500 . 0 0 "[ . 1 . 2]" 1
1651 1 47 LYS QE 1 47 LYS QG . . 3.150 2.025 1.948 2.223 . 0 0 "[ . 1 . 2]" 1
1652 1 47 LYS QG 1 49 TYR QE . . 4.910 3.562 3.288 4.115 . 0 0 "[ . 1 . 2]" 1
1653 1 51 PHE H 1 51 PHE QB . . 3.540 2.422 2.395 2.467 . 0 0 "[ . 1 . 2]" 1
1654 1 51 PHE QB 1 52 VAL H . . 3.970 3.420 3.205 3.557 . 0 0 "[ . 1 . 2]" 1
1655 1 54 PHE HA 1 55 ASP QB . . 5.180 4.198 4.157 4.335 . 0 0 "[ . 1 . 2]" 1
1656 1 55 ASP H 1 55 ASP QB . . 3.290 2.194 2.160 2.266 . 0 0 "[ . 1 . 2]" 1
1657 1 55 ASP QB 1 56 SER H . . 4.370 3.670 3.328 3.792 . 0 0 "[ . 1 . 2]" 1
1658 1 56 SER H 1 56 SER QB . . 3.440 2.889 2.767 3.026 . 0 0 "[ . 1 . 2]" 1
1659 1 56 SER QB 1 57 PRO HG3 . . 4.730 4.628 4.499 4.737 0.007 20 0 "[ . 1 . 2]" 1
1660 1 56 SER QB 1 57 PRO HD2 . . 2.980 2.103 1.992 2.221 . 0 0 "[ . 1 . 2]" 1
1661 1 56 SER QB 1 57 PRO HD3 . . 3.650 3.443 3.369 3.546 . 0 0 "[ . 1 . 2]" 1
1662 1 56 SER QB 1 59 ALA H . . 3.390 2.941 2.775 3.412 0.022 20 0 "[ . 1 . 2]" 1
1663 1 56 SER QB 1 59 ALA MB . . 2.820 2.411 2.179 2.822 0.002 20 0 "[ . 1 . 2]" 1
1664 1 60 ALA MB 1 76 MET QG . . 5.340 4.398 4.058 4.716 . 0 0 "[ . 1 . 2]" 1
1665 1 64 VAL MG1 1 68 LYS QD . . 3.310 2.045 1.905 3.145 . 0 0 "[ . 1 . 2]" 1
1666 1 64 VAL MG1 1 76 MET QG . . 4.360 3.355 3.088 3.650 . 0 0 "[ . 1 . 2]" 1
1667 1 64 VAL MG2 1 76 MET QG . . 3.430 2.482 2.012 3.055 . 0 0 "[ . 1 . 2]" 1
1668 1 65 THR HA 1 68 LYS QD . . 4.120 3.400 3.208 4.100 . 0 0 "[ . 1 . 2]" 1
1669 1 68 LYS H 1 68 LYS QD . . 4.430 3.990 3.870 4.387 . 0 0 "[ . 1 . 2]" 1
1670 1 68 LYS QD 1 69 ALA H . . 5.000 4.645 4.488 4.946 . 0 0 "[ . 1 . 2]" 1
1671 1 70 SER H 1 71 GLY QA . . 5.090 4.459 4.387 4.491 . 0 0 "[ . 1 . 2]" 1
1672 1 71 GLY QA 1 72 VAL H . . 3.050 2.853 2.815 2.890 . 0 0 "[ . 1 . 2]" 1
1673 1 71 GLY QA 1 72 VAL HA . . 4.840 4.010 4.004 4.016 . 0 0 "[ . 1 . 2]" 1
1674 1 71 GLY QA 1 72 VAL MG1 . . 4.640 4.257 4.070 4.346 . 0 0 "[ . 1 . 2]" 1
1675 1 72 VAL HA 1 73 GLN QG . . 4.190 3.895 3.778 4.097 . 0 0 "[ . 1 . 2]" 1
1676 1 72 VAL MG2 1 73 GLN QG . . 5.190 4.102 3.917 4.256 . 0 0 "[ . 1 . 2]" 1
1677 1 73 GLN H 1 73 GLN QG . . 3.330 2.525 2.241 2.788 . 0 0 "[ . 1 . 2]" 1
1678 1 73 GLN HA 1 73 GLN QG . . 3.260 2.329 2.214 2.425 . 0 0 "[ . 1 . 2]" 1
1679 1 73 GLN QG 1 74 ALA H . . 5.340 4.333 4.190 4.435 . 0 0 "[ . 1 . 2]" 1
1680 1 75 GLN H 1 75 GLN QB . . 3.530 2.928 2.624 3.138 . 0 0 "[ . 1 . 2]" 1
1681 1 75 GLN HA 1 75 GLN QG . . 3.570 3.227 2.744 3.340 . 0 0 "[ . 1 . 2]" 1
1682 1 75 GLN QB 1 75 GLN QG . . 2.330 2.060 2.014 2.086 . 0 0 "[ . 1 . 2]" 1
1683 1 75 GLN QB 1 76 MET H . . 3.800 2.332 2.208 2.573 . 0 0 "[ . 1 . 2]" 1
1684 1 75 GLN QB 1 77 ALA H . . 4.680 3.615 2.798 4.164 . 0 0 "[ . 1 . 2]" 1
1685 1 75 GLN QG 1 76 MET H . . 4.260 3.483 3.060 4.260 . 0 0 "[ . 1 . 2]" 1
1686 1 75 GLN QG 1 77 ALA H . . 5.020 2.780 1.949 4.850 . 0 0 "[ . 1 . 2]" 1
1687 1 76 MET H 1 76 MET QB . . 3.070 2.401 2.189 2.565 . 0 0 "[ . 1 . 2]" 1
1688 1 76 MET H 1 76 MET QG . . 3.450 2.534 2.098 3.115 . 0 0 "[ . 1 . 2]" 1
1689 1 76 MET HA 1 76 MET QG . . 3.710 2.662 2.173 3.110 . 0 0 "[ . 1 . 2]" 1
1690 1 76 MET ME 1 76 MET QG . . 3.390 2.313 2.055 2.498 . 0 0 "[ . 1 . 2]" 1
1691 1 76 MET QG 1 77 ALA H . . 5.200 4.666 4.500 4.902 . 0 0 "[ . 1 . 2]" 1
1692 1 78 LYS QB 1 78 LYS QD . . 2.830 2.081 1.942 2.244 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 373.264
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0822
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1166
_Distance_constraint_stats_list.Viol_average_violations_only 0.1278
_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 8 LEU 3.034 0.195 10 0 "[ . 1 . 2]"
1 9 TYR 6.722 0.237 7 0 "[ . 1 . 2]"
1 10 ILE 8.908 0.251 4 0 "[ . 1 . 2]"
1 50 GLY 8.908 0.251 4 0 "[ . 1 . 2]"
1 52 VAL 3.034 0.195 10 0 "[ . 1 . 2]"
1 75 GLN 6.722 0.237 7 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 8 LEU H 1 52 VAL O . . 1.800 1.945 1.873 1.995 0.195 10 0 "[ . 1 . 2]" 2
2 1 8 LEU N 1 52 VAL O . . 2.700 2.703 2.687 2.737 0.037 1 0 "[ . 1 . 2]" 2
3 1 9 TYR H 1 75 GLN O . . 1.800 1.977 1.936 2.009 0.209 3 0 "[ . 1 . 2]" 2
4 1 9 TYR N 1 75 GLN O . . 2.700 2.859 2.761 2.937 0.237 7 0 "[ . 1 . 2]" 2
5 1 10 ILE H 1 50 GLY O . . 1.800 1.986 1.960 2.003 0.203 13 0 "[ . 1 . 2]" 2
6 1 10 ILE N 1 50 GLY O . . 2.700 2.905 2.854 2.951 0.251 4 0 "[ . 1 . 2]" 2
7 1 10 ILE O 1 50 GLY H . . 1.800 1.828 1.796 1.892 0.092 17 0 "[ . 1 . 2]" 2
8 1 10 ILE O 1 50 GLY N . . 2.700 2.726 2.696 2.754 0.054 20 0 "[ . 1 . 2]" 2
stop_
save_
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