NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419593 |
2ed0   |
11155 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ed0
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 1196
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 7.848
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0046
_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 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 TRP 0.002 0.002 2 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 19 0 "[ . 1 . 2]"
1 14 ARG 0.134 0.053 19 0 "[ . 1 . 2]"
1 15 SER 0.010 0.010 18 0 "[ . 1 . 2]"
1 16 TYR 0.011 0.010 18 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.020 0.015 15 0 "[ . 1 . 2]"
1 20 VAL 0.004 0.002 12 0 "[ . 1 . 2]"
1 21 VAL 0.003 0.001 19 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 14 0 "[ . 1 . 2]"
1 23 ILE 0.001 0.001 20 0 "[ . 1 . 2]"
1 24 TYR 0.002 0.002 20 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.001 0.001 16 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.050 0.037 17 0 "[ . 1 . 2]"
1 31 GLU 0.009 0.005 10 0 "[ . 1 . 2]"
1 32 ASP 0.008 0.005 10 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 10 0 "[ . 1 . 2]"
1 34 LEU 0.001 0.001 10 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.001 0.001 10 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 7 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.016 0.008 15 0 "[ . 1 . 2]"
1 41 ILE 0.060 0.016 15 0 "[ . 1 . 2]"
1 42 ILE 0.031 0.016 15 0 "[ . 1 . 2]"
1 43 TYR 0.007 0.002 20 0 "[ . 1 . 2]"
1 44 VAL 0.006 0.003 10 0 "[ . 1 . 2]"
1 45 ILE 0.001 0.001 16 0 "[ . 1 . 2]"
1 46 LYS 0.029 0.011 10 0 "[ . 1 . 2]"
1 47 LYS 0.017 0.009 11 0 "[ . 1 . 2]"
1 48 ASN 0.006 0.003 16 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.014 0.014 16 0 "[ . 1 . 2]"
1 52 TRP 0.024 0.014 16 0 "[ . 1 . 2]"
1 53 TYR 0.022 0.009 11 0 "[ . 1 . 2]"
1 54 GLU 0.032 0.011 10 0 "[ . 1 . 2]"
1 55 GLY 0.002 0.002 12 0 "[ . 1 . 2]"
1 56 VAL 0.005 0.002 10 0 "[ . 1 . 2]"
1 57 MET 0.001 0.001 12 0 "[ . 1 . 2]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.003 0.002 16 0 "[ . 1 . 2]"
1 64 PHE 0.002 0.001 20 0 "[ . 1 . 2]"
1 65 PRO 0.001 0.001 18 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 0.002 0.002 20 0 "[ . 1 . 2]"
1 69 VAL 0.001 0.001 20 0 "[ . 1 . 2]"
1 70 GLU 0.006 0.005 18 0 "[ . 1 . 2]"
1 71 SER 0.006 0.005 18 0 "[ . 1 . 2]"
1 72 ILE 0.007 0.002 20 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 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 ALA MB 1 36 PHE H . . 5.500 5.311 4.976 5.500 0.000 14 0 "[ . 1 . 2]" 1
2 1 35 SER HB2 1 36 PHE H . . 4.460 3.449 2.713 4.315 . 0 0 "[ . 1 . 2]" 1
3 1 36 PHE H 1 36 PHE QD . . 4.320 3.259 2.699 3.462 . 0 0 "[ . 1 . 2]" 1
4 1 26 TYR QD 1 36 PHE H . . 4.700 3.846 2.744 4.658 . 0 0 "[ . 1 . 2]" 1
5 1 26 TYR H 1 36 PHE H . . 3.860 3.509 2.917 3.834 . 0 0 "[ . 1 . 2]" 1
6 1 35 SER HB3 1 36 PHE H . . 4.460 4.020 3.249 4.268 . 0 0 "[ . 1 . 2]" 1
7 1 26 TYR HB3 1 36 PHE H . . 4.140 3.599 2.908 4.128 . 0 0 "[ . 1 . 2]" 1
8 1 31 GLU QG 1 32 ASP H . . 4.330 2.924 2.029 4.323 . 0 0 "[ . 1 . 2]" 1
9 1 30 LYS HB3 1 32 ASP H . . 4.630 3.234 2.406 4.545 . 0 0 "[ . 1 . 2]" 1
10 1 57 MET H 1 60 VAL H . . 4.090 3.806 3.470 4.087 . 0 0 "[ . 1 . 2]" 1
11 1 57 MET H 1 59 GLY H . . 4.800 3.783 3.539 4.173 . 0 0 "[ . 1 . 2]" 1
12 1 57 MET H 1 61 THR HA . . 4.950 3.132 2.859 3.364 . 0 0 "[ . 1 . 2]" 1
13 1 56 VAL HA 1 57 MET H . . 2.980 2.188 2.146 2.246 . 0 0 "[ . 1 . 2]" 1
14 1 57 MET H 1 57 MET HB3 . . 3.730 3.025 2.730 3.190 . 0 0 "[ . 1 . 2]" 1
15 1 57 MET H 1 57 MET HB2 . . 4.110 3.024 2.880 3.271 . 0 0 "[ . 1 . 2]" 1
16 1 56 VAL MG2 1 57 MET H . . 4.400 3.966 3.778 4.121 . 0 0 "[ . 1 . 2]" 1
17 1 34 LEU MD1 1 57 MET H . . 4.000 2.820 2.497 3.160 . 0 0 "[ . 1 . 2]" 1
18 1 21 VAL MG2 1 39 GLY H . . 4.110 3.495 3.231 3.854 . 0 0 "[ . 1 . 2]" 1
19 1 29 ASP H 1 30 LYS H . . 3.450 2.229 1.799 2.496 . 0 0 "[ . 1 . 2]" 1
20 1 30 LYS H 1 30 LYS HB3 . . 3.940 3.618 3.276 3.866 . 0 0 "[ . 1 . 2]" 1
21 1 30 LYS H 1 30 LYS HB2 . . 3.940 2.947 2.369 3.950 0.010 12 0 "[ . 1 . 2]" 1
22 1 30 LYS H 1 30 LYS QG . . 3.700 2.474 1.870 3.040 . 0 0 "[ . 1 . 2]" 1
23 1 52 TRP HE3 1 64 PHE H . . 3.890 3.307 2.394 3.890 0.000 9 0 "[ . 1 . 2]" 1
24 1 64 PHE H 1 64 PHE QD . . 4.010 2.834 2.224 3.504 . 0 0 "[ . 1 . 2]" 1
25 1 63 LEU HA 1 64 PHE H . . 3.120 2.221 2.143 2.407 . 0 0 "[ . 1 . 2]" 1
26 1 52 TRP HA 1 64 PHE H . . 4.770 4.136 3.361 4.555 . 0 0 "[ . 1 . 2]" 1
27 1 63 LEU QB 1 64 PHE H . . 3.700 2.968 2.368 3.341 . 0 0 "[ . 1 . 2]" 1
28 1 54 GLU HA 1 64 PHE H . . 4.320 3.637 3.291 4.005 . 0 0 "[ . 1 . 2]" 1
29 1 20 VAL H 1 42 ILE H . . 3.960 3.426 2.926 3.872 . 0 0 "[ . 1 . 2]" 1
30 1 21 VAL HA 1 42 ILE H . . 4.390 3.376 3.045 3.740 . 0 0 "[ . 1 . 2]" 1
31 1 42 ILE H 1 42 ILE HB . . 3.500 2.728 2.565 2.891 . 0 0 "[ . 1 . 2]" 1
32 1 41 ILE MG 1 42 ILE H . . 3.380 2.497 1.929 3.233 . 0 0 "[ . 1 . 2]" 1
33 1 10 PRO HA 1 12 ALA H . . 4.670 4.055 3.677 4.504 . 0 0 "[ . 1 . 2]" 1
34 1 11 TRP H 1 12 ALA H . . 3.440 2.521 2.118 2.774 . 0 0 "[ . 1 . 2]" 1
35 1 12 ALA H 1 12 ALA MB . . 3.110 2.137 2.025 2.224 . 0 0 "[ . 1 . 2]" 1
36 1 19 LYS HA 1 44 VAL H . . 4.220 2.737 2.092 3.142 . 0 0 "[ . 1 . 2]" 1
37 1 43 TYR HA 1 44 VAL H . . 3.090 2.165 2.138 2.236 . 0 0 "[ . 1 . 2]" 1
38 1 44 VAL H 1 44 VAL HB . . 3.360 2.487 2.332 2.639 . 0 0 "[ . 1 . 2]" 1
39 1 44 VAL H 1 44 VAL MG1 . . 4.390 3.757 3.702 3.783 . 0 0 "[ . 1 . 2]" 1
40 1 55 GLY H 1 63 LEU HA . . 4.420 3.724 3.239 4.348 . 0 0 "[ . 1 . 2]" 1
41 1 55 GLY H 1 64 PHE QE . . 4.070 2.496 1.899 3.367 . 0 0 "[ . 1 . 2]" 1
42 1 54 GLU HB2 1 55 GLY H . . 4.630 4.416 4.209 4.517 . 0 0 "[ . 1 . 2]" 1
43 1 55 GLY H 1 62 GLY H . . 3.720 3.374 3.056 3.709 . 0 0 "[ . 1 . 2]" 1
44 1 54 GLU HA 1 55 GLY H . . 3.090 2.158 2.143 2.222 . 0 0 "[ . 1 . 2]" 1
45 1 54 GLU HG2 1 55 GLY H . . 4.390 3.150 2.319 4.392 0.002 12 0 "[ . 1 . 2]" 1
46 1 54 GLU HG3 1 55 GLY H . . 4.390 3.660 2.702 4.284 . 0 0 "[ . 1 . 2]" 1
47 1 67 ASN H 1 67 ASN HB3 . . 4.070 3.395 2.553 3.768 . 0 0 "[ . 1 . 2]" 1
48 1 67 ASN H 1 67 ASN HB2 . . 4.070 2.514 2.247 2.816 . 0 0 "[ . 1 . 2]" 1
49 1 43 TYR H 1 56 VAL H . . 3.860 2.955 2.576 3.620 . 0 0 "[ . 1 . 2]" 1
50 1 43 TYR H 1 43 TYR QD . . 3.540 2.918 2.414 3.333 . 0 0 "[ . 1 . 2]" 1
51 1 42 ILE HA 1 43 TYR H . . 3.120 2.190 2.139 2.266 . 0 0 "[ . 1 . 2]" 1
52 1 43 TYR H 1 43 TYR HB2 . . 3.560 2.485 2.336 2.634 . 0 0 "[ . 1 . 2]" 1
53 1 43 TYR H 1 43 TYR HB3 . . 3.870 3.659 3.571 3.723 . 0 0 "[ . 1 . 2]" 1
54 1 42 ILE HB 1 43 TYR H . . 4.740 4.042 3.777 4.285 . 0 0 "[ . 1 . 2]" 1
55 1 16 TYR QE 1 19 LYS H . . 4.490 3.783 2.853 4.217 . 0 0 "[ . 1 . 2]" 1
56 1 18 GLU HA 1 19 LYS H . . 3.090 2.553 2.426 2.644 . 0 0 "[ . 1 . 2]" 1
57 1 18 GLU HB3 1 19 LYS H . . 4.260 3.642 3.497 3.817 . 0 0 "[ . 1 . 2]" 1
58 1 18 GLU HB2 1 19 LYS H . . 3.580 2.170 1.977 2.403 . 0 0 "[ . 1 . 2]" 1
59 1 19 LYS H 1 19 LYS HB2 . . 3.770 3.031 2.577 3.785 0.015 15 0 "[ . 1 . 2]" 1
60 1 19 LYS H 1 19 LYS HB3 . . 3.770 2.680 2.397 2.870 . 0 0 "[ . 1 . 2]" 1
61 1 27 THR MG 1 28 LYS H . . 3.660 2.806 1.954 3.365 . 0 0 "[ . 1 . 2]" 1
62 1 28 LYS H 1 28 LYS HG3 . . 4.110 2.717 1.913 3.944 . 0 0 "[ . 1 . 2]" 1
63 1 28 LYS H 1 28 LYS HB2 . . 4.140 3.598 3.500 3.766 . 0 0 "[ . 1 . 2]" 1
64 1 28 LYS H 1 28 LYS HB3 . . 3.450 2.537 2.194 2.986 . 0 0 "[ . 1 . 2]" 1
65 1 28 LYS H 1 28 LYS HG2 . . 4.110 2.931 2.074 3.746 . 0 0 "[ . 1 . 2]" 1
66 1 34 LEU HG 1 35 SER H . . 4.240 3.161 2.702 3.609 . 0 0 "[ . 1 . 2]" 1
67 1 34 LEU MD2 1 35 SER H . . 3.990 2.079 1.826 2.499 . 0 0 "[ . 1 . 2]" 1
68 1 26 TYR HB3 1 27 THR H . . 4.720 4.140 3.738 4.385 . 0 0 "[ . 1 . 2]" 1
69 1 34 LEU HA 1 35 SER H . . 3.020 2.212 2.160 2.296 . 0 0 "[ . 1 . 2]" 1
70 1 34 LEU HB3 1 35 SER H . . 3.930 3.707 3.467 3.881 . 0 0 "[ . 1 . 2]" 1
71 1 39 GLY H 1 40 ALA H . . 3.520 2.201 1.883 2.673 . 0 0 "[ . 1 . 2]" 1
72 1 22 ALA MB 1 40 ALA H . . 3.150 2.189 1.914 2.602 . 0 0 "[ . 1 . 2]" 1
73 1 26 TYR QD 1 27 THR H . . 4.290 3.323 2.379 3.876 . 0 0 "[ . 1 . 2]" 1
74 1 26 TYR HA 1 27 THR H . . 3.010 2.185 2.138 2.369 . 0 0 "[ . 1 . 2]" 1
75 1 56 VAL HA 1 62 GLY H . . 4.310 3.880 3.533 4.193 . 0 0 "[ . 1 . 2]" 1
76 1 18 GLU H 1 44 VAL MG1 . . 4.540 3.317 2.823 3.915 . 0 0 "[ . 1 . 2]" 1
77 1 54 GLU HG2 1 62 GLY H . . 5.350 3.904 3.298 5.120 . 0 0 "[ . 1 . 2]" 1
78 1 54 GLU HG3 1 62 GLY H . . 5.350 4.275 3.610 5.094 . 0 0 "[ . 1 . 2]" 1
79 1 18 GLU H 1 44 VAL H . . 4.190 3.776 3.467 4.103 . 0 0 "[ . 1 . 2]" 1
80 1 34 LEU MD1 1 62 GLY H . . 3.750 2.119 1.837 2.511 . 0 0 "[ . 1 . 2]" 1
81 1 53 TYR H 1 66 GLY H . . 4.460 4.078 3.601 4.460 . 0 0 "[ . 1 . 2]" 1
82 1 66 GLY H 1 67 ASN H . . 4.010 2.848 2.555 3.461 . 0 0 "[ . 1 . 2]" 1
83 1 52 TRP HA 1 66 GLY H . . 3.670 3.054 2.502 3.635 . 0 0 "[ . 1 . 2]" 1
84 1 17 LEU H 1 18 GLU H . . 3.560 2.845 2.422 3.140 . 0 0 "[ . 1 . 2]" 1
85 1 16 TYR QB 1 18 GLU H . . 4.090 3.313 2.889 3.659 . 0 0 "[ . 1 . 2]" 1
86 1 18 GLU H 1 44 VAL HB . . 3.570 2.549 2.010 3.124 . 0 0 "[ . 1 . 2]" 1
87 1 18 GLU H 1 18 GLU QG . . 4.090 2.540 2.317 2.750 . 0 0 "[ . 1 . 2]" 1
88 1 17 LEU HB3 1 18 GLU H . . 4.010 3.047 2.600 3.442 . 0 0 "[ . 1 . 2]" 1
89 1 46 LYS HA 1 47 LYS H . . 2.790 2.237 2.143 2.318 . 0 0 "[ . 1 . 2]" 1
90 1 46 LYS QB 1 47 LYS H . . 3.890 3.380 2.666 3.787 . 0 0 "[ . 1 . 2]" 1
91 1 46 LYS QG 1 47 LYS H . . 3.570 2.582 2.061 3.569 . 0 0 "[ . 1 . 2]" 1
92 1 15 SER H 1 16 TYR H . . 4.710 4.349 3.662 4.502 . 0 0 "[ . 1 . 2]" 1
93 1 13 PRO HB2 1 15 SER H . . 3.960 2.978 2.546 3.304 . 0 0 "[ . 1 . 2]" 1
94 1 53 TYR H 1 53 TYR QD . . 4.180 3.353 3.079 3.746 . 0 0 "[ . 1 . 2]" 1
95 1 52 TRP HA 1 53 TYR H . . 3.070 2.153 2.141 2.206 . 0 0 "[ . 1 . 2]" 1
96 1 52 TRP HB2 1 53 TYR H . . 4.510 4.334 3.975 4.511 0.001 16 0 "[ . 1 . 2]" 1
97 1 53 TYR H 1 53 TYR HB2 . . 3.950 2.819 2.644 2.991 . 0 0 "[ . 1 . 2]" 1
98 1 53 TYR H 1 53 TYR HB3 . . 3.950 3.799 3.660 3.868 . 0 0 "[ . 1 . 2]" 1
99 1 28 LYS HB2 1 29 ASP H . . 4.240 3.069 2.409 3.414 . 0 0 "[ . 1 . 2]" 1
100 1 28 LYS HB3 1 29 ASP H . . 4.620 4.122 3.617 4.330 . 0 0 "[ . 1 . 2]" 1
101 1 60 VAL H 1 60 VAL MG2 . . 4.260 2.354 2.155 2.546 . 0 0 "[ . 1 . 2]" 1
102 1 59 GLY H 1 60 VAL H . . 3.690 3.070 2.886 3.240 . 0 0 "[ . 1 . 2]" 1
103 1 60 VAL H 1 60 VAL HB . . 3.260 2.481 2.388 2.575 . 0 0 "[ . 1 . 2]" 1
104 1 11 TRP HH2 1 58 ASN H . . 4.540 3.440 2.787 4.001 . 0 0 "[ . 1 . 2]" 1
105 1 58 ASN H 1 59 GLY H . . 4.480 2.792 2.563 3.021 . 0 0 "[ . 1 . 2]" 1
106 1 57 MET HA 1 58 ASN H . . 3.410 2.156 2.140 2.232 . 0 0 "[ . 1 . 2]" 1
107 1 45 ILE H 1 45 ILE HG13 . . 3.970 2.606 2.341 2.947 . 0 0 "[ . 1 . 2]" 1
108 1 71 SER HA 1 72 ILE H . . 2.980 2.181 2.138 2.356 . 0 0 "[ . 1 . 2]" 1
109 1 71 SER QB 1 72 ILE H . . 4.030 3.523 3.106 3.931 . 0 0 "[ . 1 . 2]" 1
110 1 72 ILE H 1 72 ILE MG . . 3.640 2.628 1.911 3.196 . 0 0 "[ . 1 . 2]" 1
111 1 52 TRP H 1 52 TRP HD1 . . 3.830 3.364 1.901 3.838 0.008 12 0 "[ . 1 . 2]" 1
112 1 11 TRP H 1 11 TRP HB2 . . 4.090 3.609 3.579 3.701 . 0 0 "[ . 1 . 2]" 1
113 1 20 VAL HA 1 72 ILE H . . 3.490 2.907 2.605 3.198 . 0 0 "[ . 1 . 2]" 1
114 1 52 TRP H 1 52 TRP HB3 . . 3.980 3.874 3.559 3.980 . 0 0 "[ . 1 . 2]" 1
115 1 52 TRP H 1 52 TRP HB2 . . 3.980 2.855 2.319 3.006 . 0 0 "[ . 1 . 2]" 1
116 1 11 TRP H 1 11 TRP HD1 . . 3.750 2.714 2.453 3.129 . 0 0 "[ . 1 . 2]" 1
117 1 11 TRP H 1 11 TRP HB3 . . 4.090 2.657 2.408 3.282 . 0 0 "[ . 1 . 2]" 1
118 1 10 PRO QG 1 11 TRP H . . 4.120 2.363 1.950 3.293 . 0 0 "[ . 1 . 2]" 1
119 1 22 ALA HA 1 23 ILE H . . 3.070 2.182 2.141 2.272 . 0 0 "[ . 1 . 2]" 1
120 1 23 ILE H 1 23 ILE HG13 . . 4.000 2.722 2.392 3.004 . 0 0 "[ . 1 . 2]" 1
121 1 23 ILE H 1 23 ILE HG12 . . 4.000 2.030 1.920 2.273 . 0 0 "[ . 1 . 2]" 1
122 1 45 ILE H 1 46 LYS H . . 3.130 1.968 1.809 2.300 . 0 0 "[ . 1 . 2]" 1
123 1 46 LYS H 1 54 GLU HB3 . . 3.970 3.032 2.727 3.320 . 0 0 "[ . 1 . 2]" 1
124 1 45 ILE HG13 1 46 LYS H . . 4.390 2.546 2.088 3.030 . 0 0 "[ . 1 . 2]" 1
125 1 46 LYS H 1 46 LYS QB . . 3.660 2.638 2.533 2.812 . 0 0 "[ . 1 . 2]" 1
126 1 45 ILE HG12 1 46 LYS H . . 4.390 3.321 2.722 3.790 . 0 0 "[ . 1 . 2]" 1
127 1 9 PRO HB2 1 11 TRP HE1 . . 4.620 2.705 2.450 3.099 . 0 0 "[ . 1 . 2]" 1
128 1 34 LEU H 1 64 PHE HB3 . . 4.570 3.538 3.129 4.095 . 0 0 "[ . 1 . 2]" 1
129 1 33 GLU HB3 1 34 LEU H . . 4.230 2.232 1.918 2.684 . 0 0 "[ . 1 . 2]" 1
130 1 34 LEU H 1 34 LEU MD1 . . 4.760 4.480 4.383 4.599 . 0 0 "[ . 1 . 2]" 1
131 1 33 GLU H 1 34 LEU H . . 5.040 4.494 4.372 4.640 . 0 0 "[ . 1 . 2]" 1
132 1 34 LEU H 1 35 SER H . . 5.380 4.418 4.336 4.458 . 0 0 "[ . 1 . 2]" 1
133 1 33 GLU HA 1 34 LEU H . . 3.230 2.507 2.299 2.652 . 0 0 "[ . 1 . 2]" 1
134 1 34 LEU H 1 62 GLY HA3 . . 4.560 3.590 3.087 3.963 . 0 0 "[ . 1 . 2]" 1
135 1 33 GLU HB2 1 34 LEU H . . 4.230 3.611 3.232 3.845 . 0 0 "[ . 1 . 2]" 1
136 1 34 LEU H 1 34 LEU HB3 . . 3.800 2.924 2.860 2.972 . 0 0 "[ . 1 . 2]" 1
137 1 34 LEU H 1 34 LEU HB2 . . 3.710 2.760 2.627 2.868 . 0 0 "[ . 1 . 2]" 1
138 1 69 VAL H 1 69 VAL MG1 . . 3.840 2.979 2.346 3.410 . 0 0 "[ . 1 . 2]" 1
139 1 60 VAL HA 1 61 THR H . . 2.890 2.149 2.139 2.197 . 0 0 "[ . 1 . 2]" 1
140 1 48 ASN H 1 53 TYR QD . . 4.010 2.566 2.020 3.579 . 0 0 "[ . 1 . 2]" 1
141 1 48 ASN H 1 48 ASN HB3 . . 4.010 3.641 3.502 3.814 . 0 0 "[ . 1 . 2]" 1
142 1 48 ASN H 1 53 TYR HA . . 3.990 3.122 2.476 3.987 . 0 0 "[ . 1 . 2]" 1
143 1 26 TYR H 1 36 PHE QD . . 4.200 3.468 2.675 4.169 . 0 0 "[ . 1 . 2]" 1
144 1 26 TYR H 1 37 GLN HA . . 4.330 3.325 2.769 3.729 . 0 0 "[ . 1 . 2]" 1
145 1 25 ASP HB3 1 26 TYR H . . 4.470 4.083 3.193 4.424 . 0 0 "[ . 1 . 2]" 1
146 1 26 TYR H 1 26 TYR HB2 . . 3.970 3.128 2.688 3.684 . 0 0 "[ . 1 . 2]" 1
147 1 60 VAL MG1 1 61 THR H . . 4.270 2.544 2.059 2.869 . 0 0 "[ . 1 . 2]" 1
148 1 47 LYS HA 1 48 ASN H . . 3.040 2.201 2.141 2.382 . 0 0 "[ . 1 . 2]" 1
149 1 48 ASN H 1 48 ASN HB2 . . 3.440 2.468 2.199 2.717 . 0 0 "[ . 1 . 2]" 1
150 1 47 LYS HB2 1 48 ASN H . . 4.740 4.264 3.545 4.571 . 0 0 "[ . 1 . 2]" 1
151 1 40 ALA HA 1 41 ILE H . . 2.880 2.205 2.140 2.433 . 0 0 "[ . 1 . 2]" 1
152 1 41 ILE H 1 41 ILE HB . . 3.180 2.525 2.420 2.693 . 0 0 "[ . 1 . 2]" 1
153 1 41 ILE H 1 41 ILE HG13 . . 3.960 3.717 3.426 3.940 . 0 0 "[ . 1 . 2]" 1
154 1 41 ILE H 1 41 ILE MD . . 4.350 3.241 1.857 3.992 . 0 0 "[ . 1 . 2]" 1
155 1 25 ASP H 1 38 GLU H . . 4.540 3.943 3.436 4.528 . 0 0 "[ . 1 . 2]" 1
156 1 33 GLU HA 1 63 LEU H . . 3.140 2.299 1.948 2.688 . 0 0 "[ . 1 . 2]" 1
157 1 62 GLY HA2 1 63 LEU H . . 3.380 2.366 2.191 2.539 . 0 0 "[ . 1 . 2]" 1
158 1 62 GLY HA3 1 63 LEU H . . 3.440 2.792 2.587 3.056 . 0 0 "[ . 1 . 2]" 1
159 1 63 LEU H 1 63 LEU QB . . 3.160 2.247 2.147 2.422 . 0 0 "[ . 1 . 2]" 1
160 1 41 ILE H 1 41 ILE HG12 . . 3.960 2.749 2.249 3.969 0.009 12 0 "[ . 1 . 2]" 1
161 1 41 ILE H 1 41 ILE MG . . 4.410 3.794 3.750 3.877 . 0 0 "[ . 1 . 2]" 1
162 1 37 GLN HA 1 38 GLU H . . 3.100 2.392 2.287 2.517 . 0 0 "[ . 1 . 2]" 1
163 1 37 GLN HB3 1 38 GLU H . . 3.910 3.202 2.185 3.908 . 0 0 "[ . 1 . 2]" 1
164 1 37 GLN HB2 1 38 GLU H . . 3.910 3.045 2.219 3.866 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU H 1 17 LEU MD1 . . 4.460 3.354 1.884 3.682 . 0 0 "[ . 1 . 2]" 1
166 1 17 LEU H 1 44 VAL MG1 . . 4.900 3.964 3.598 4.413 . 0 0 "[ . 1 . 2]" 1
167 1 16 TYR QD 1 17 LEU H . . 4.280 3.496 3.034 3.803 . 0 0 "[ . 1 . 2]" 1
168 1 16 TYR HA 1 17 LEU H . . 3.360 2.385 2.206 2.600 . 0 0 "[ . 1 . 2]" 1
169 1 16 TYR QB 1 17 LEU H . . 3.390 2.461 2.000 2.921 . 0 0 "[ . 1 . 2]" 1
170 1 17 LEU H 1 17 LEU HG . . 3.500 2.664 1.972 3.465 . 0 0 "[ . 1 . 2]" 1
171 1 17 LEU H 1 17 LEU HB3 . . 3.830 3.557 3.490 3.606 . 0 0 "[ . 1 . 2]" 1
172 1 14 ARG H 1 15 SER H . . 3.770 2.797 2.402 3.082 . 0 0 "[ . 1 . 2]" 1
173 1 13 PRO HA 1 14 ARG H . . 3.110 2.228 2.152 2.483 . 0 0 "[ . 1 . 2]" 1
174 1 13 PRO HB2 1 14 ARG H . . 4.120 3.248 2.416 3.957 . 0 0 "[ . 1 . 2]" 1
175 1 14 ARG H 1 14 ARG HB3 . . 3.910 3.234 2.235 3.617 . 0 0 "[ . 1 . 2]" 1
176 1 68 TYR H 1 68 TYR HB3 . . 3.910 3.590 3.489 3.674 . 0 0 "[ . 1 . 2]" 1
177 1 68 TYR H 1 68 TYR HB2 . . 3.910 2.352 2.182 2.584 . 0 0 "[ . 1 . 2]" 1
178 1 32 ASP H 1 33 GLU H . . 3.430 2.729 1.800 3.406 . 0 0 "[ . 1 . 2]" 1
179 1 33 GLU H 1 33 GLU HB3 . . 4.040 3.638 3.485 3.894 . 0 0 "[ . 1 . 2]" 1
180 1 28 LYS HB2 1 33 GLU H . . 4.350 3.859 3.324 4.322 . 0 0 "[ . 1 . 2]" 1
181 1 33 GLU H 1 33 GLU HB2 . . 4.040 2.464 2.185 2.849 . 0 0 "[ . 1 . 2]" 1
182 1 68 TYR H 1 69 VAL H . . 3.400 2.668 2.400 2.955 . 0 0 "[ . 1 . 2]" 1
183 1 68 TYR H 1 68 TYR QD . . 3.890 2.225 1.968 2.458 . 0 0 "[ . 1 . 2]" 1
184 1 68 TYR H 1 69 VAL MG2 . . 4.520 3.567 3.086 4.501 . 0 0 "[ . 1 . 2]" 1
185 1 46 LYS H 1 54 GLU H . . 3.800 2.865 2.619 3.100 . 0 0 "[ . 1 . 2]" 1
186 1 53 TYR QD 1 54 GLU H . . 4.630 4.215 3.828 4.426 . 0 0 "[ . 1 . 2]" 1
187 1 53 TYR HA 1 54 GLU H . . 3.140 2.263 2.179 2.373 . 0 0 "[ . 1 . 2]" 1
188 1 53 TYR HB2 1 54 GLU H . . 4.330 3.688 3.439 4.053 . 0 0 "[ . 1 . 2]" 1
189 1 54 GLU H 1 54 GLU HB3 . . 3.660 2.793 2.605 2.874 . 0 0 "[ . 1 . 2]" 1
190 1 44 VAL MG1 1 54 GLU H . . 4.030 3.468 3.030 3.801 . 0 0 "[ . 1 . 2]" 1
191 1 46 LYS HA 1 54 GLU H . . 4.310 4.309 4.290 4.321 0.011 10 0 "[ . 1 . 2]" 1
192 1 46 LYS QB 1 54 GLU H . . 3.770 2.411 1.892 2.826 . 0 0 "[ . 1 . 2]" 1
193 1 54 GLU H 1 54 GLU HB2 . . 4.060 2.537 2.418 2.731 . 0 0 "[ . 1 . 2]" 1
194 1 20 VAL HB 1 70 GLU H . . 3.890 3.263 2.658 3.888 . 0 0 "[ . 1 . 2]" 1
195 1 70 GLU H 1 70 GLU QB . . 3.630 2.604 2.298 2.995 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL MG1 1 70 GLU H . . 3.920 2.880 2.304 3.452 . 0 0 "[ . 1 . 2]" 1
197 1 22 ALA HA 1 70 GLU H . . 4.420 3.982 3.351 4.401 . 0 0 "[ . 1 . 2]" 1
198 1 36 PHE QD 1 37 GLN H . . 4.610 3.647 3.280 4.048 . 0 0 "[ . 1 . 2]" 1
199 1 36 PHE HB2 1 37 GLN H . . 3.840 2.498 2.160 2.819 . 0 0 "[ . 1 . 2]" 1
200 1 37 GLN H 1 37 GLN HG2 . . 4.410 3.095 1.906 4.350 . 0 0 "[ . 1 . 2]" 1
201 1 37 GLN H 1 37 GLN HB2 . . 4.180 3.201 2.346 3.888 . 0 0 "[ . 1 . 2]" 1
202 1 36 PHE HB3 1 37 GLN H . . 3.840 3.679 3.453 3.840 0.000 7 0 "[ . 1 . 2]" 1
203 1 55 GLY HA2 1 56 VAL H . . 3.410 2.397 2.275 2.526 . 0 0 "[ . 1 . 2]" 1
204 1 55 GLY HA3 1 56 VAL H . . 3.520 2.747 2.598 2.907 . 0 0 "[ . 1 . 2]" 1
205 1 43 TYR HB2 1 56 VAL H . . 4.300 3.007 2.677 3.176 . 0 0 "[ . 1 . 2]" 1
206 1 56 VAL H 1 56 VAL MG1 . . 4.220 3.815 3.775 3.866 . 0 0 "[ . 1 . 2]" 1
207 1 42 ILE MG 1 56 VAL H . . 3.790 3.040 2.663 3.386 . 0 0 "[ . 1 . 2]" 1
208 1 16 TYR H 1 16 TYR QD . . 4.100 3.310 2.651 3.486 . 0 0 "[ . 1 . 2]" 1
209 1 15 SER HB2 1 16 TYR H . . 4.690 3.862 2.503 4.533 . 0 0 "[ . 1 . 2]" 1
210 1 56 VAL H 1 56 VAL HB . . 3.570 2.561 2.487 2.673 . 0 0 "[ . 1 . 2]" 1
211 1 70 GLU QG 1 71 SER H . . 4.160 3.557 2.513 4.165 0.005 18 0 "[ . 1 . 2]" 1
212 1 71 SER H 1 71 SER QB . . 3.210 2.485 2.294 2.764 . 0 0 "[ . 1 . 2]" 1
213 1 70 GLU QB 1 71 SER H . . 3.850 3.039 2.271 3.756 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL MG1 1 71 SER H . . 4.470 4.074 3.477 4.456 . 0 0 "[ . 1 . 2]" 1
215 1 24 TYR HA 1 25 ASP H . . 3.310 2.366 2.176 2.566 . 0 0 "[ . 1 . 2]" 1
216 1 24 TYR HB3 1 25 ASP H . . 4.230 2.541 2.089 3.122 . 0 0 "[ . 1 . 2]" 1
217 1 25 ASP H 1 25 ASP HB3 . . 4.090 2.935 2.342 3.641 . 0 0 "[ . 1 . 2]" 1
218 1 25 ASP H 1 25 ASP HB2 . . 4.090 3.398 2.539 3.663 . 0 0 "[ . 1 . 2]" 1
219 1 20 VAL HB 1 21 VAL H . . 3.280 2.467 2.077 2.990 . 0 0 "[ . 1 . 2]" 1
220 1 20 VAL HA 1 21 VAL H . . 3.230 2.374 2.199 2.554 . 0 0 "[ . 1 . 2]" 1
221 1 21 VAL H 1 71 SER HA . . 4.500 4.019 3.742 4.388 . 0 0 "[ . 1 . 2]" 1
222 1 21 VAL H 1 69 VAL HB . . 3.900 3.418 2.874 3.808 . 0 0 "[ . 1 . 2]" 1
223 1 21 VAL H 1 21 VAL MG1 . . 3.190 2.116 1.958 2.289 . 0 0 "[ . 1 . 2]" 1
224 1 72 ILE HG13 1 73 SER H . . 4.500 2.740 1.993 4.260 . 0 0 "[ . 1 . 2]" 1
225 1 72 ILE H 1 73 SER H . . 3.330 2.231 1.836 2.867 . 0 0 "[ . 1 . 2]" 1
226 1 71 SER HA 1 73 SER H . . 3.920 3.552 3.263 3.849 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS HA 1 20 VAL H . . 3.020 2.234 2.141 2.457 . 0 0 "[ . 1 . 2]" 1
228 1 19 LYS HB2 1 20 VAL H . . 4.900 3.973 2.405 4.379 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL H 1 42 ILE HB . . 4.300 3.980 3.666 4.291 . 0 0 "[ . 1 . 2]" 1
230 1 20 VAL H 1 20 VAL MG2 . . 3.170 2.202 1.952 2.465 . 0 0 "[ . 1 . 2]" 1
231 1 72 ILE HB 1 73 SER H . . 4.110 3.883 3.720 4.101 . 0 0 "[ . 1 . 2]" 1
232 1 49 ASP HB3 1 50 ASP H . . 4.690 3.456 2.273 4.647 . 0 0 "[ . 1 . 2]" 1
233 1 23 ILE H 1 24 TYR H . . 3.080 2.272 1.860 2.603 . 0 0 "[ . 1 . 2]" 1
234 1 22 ALA HA 1 24 TYR H . . 4.010 3.478 3.228 3.956 . 0 0 "[ . 1 . 2]" 1
235 1 24 TYR H 1 24 TYR HB3 . . 4.120 3.817 3.688 3.908 . 0 0 "[ . 1 . 2]" 1
236 1 23 ILE HG12 1 24 TYR H . . 4.410 3.282 2.726 3.766 . 0 0 "[ . 1 . 2]" 1
237 1 24 TYR H 1 24 TYR HB2 . . 4.120 2.713 2.494 2.872 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE HB 1 24 TYR H . . 4.350 3.970 3.561 4.154 . 0 0 "[ . 1 . 2]" 1
239 1 22 ALA MB 1 24 TYR H . . 3.870 3.215 2.985 3.717 . 0 0 "[ . 1 . 2]" 1
240 1 23 ILE HG13 1 24 TYR H . . 4.410 2.582 2.091 2.965 . 0 0 "[ . 1 . 2]" 1
241 1 31 GLU H 1 32 ASP H . . 4.080 2.709 2.303 3.110 . 0 0 "[ . 1 . 2]" 1
242 1 30 LYS HA 1 31 GLU H . . 3.260 2.408 2.191 2.652 . 0 0 "[ . 1 . 2]" 1
243 1 30 LYS HB3 1 31 GLU H . . 4.080 2.839 2.031 3.945 . 0 0 "[ . 1 . 2]" 1
244 1 31 GLU H 1 31 GLU HB3 . . 3.790 2.801 2.394 3.592 . 0 0 "[ . 1 . 2]" 1
245 1 30 LYS HB2 1 31 GLU H . . 4.080 3.235 2.097 4.050 . 0 0 "[ . 1 . 2]" 1
246 1 13 PRO HB3 1 14 ARG H . . 4.530 3.828 3.357 4.306 . 0 0 "[ . 1 . 2]" 1
247 1 14 ARG H 1 14 ARG HG3 . . 4.560 3.173 2.065 4.433 . 0 0 "[ . 1 . 2]" 1
248 1 13 PRO HB3 1 15 SER H . . 4.780 4.477 4.195 4.765 . 0 0 "[ . 1 . 2]" 1
249 1 24 TYR H 1 69 VAL HA . . 4.850 4.266 3.836 4.539 . 0 0 "[ . 1 . 2]" 1
250 1 27 THR HA 1 28 LYS H . . 2.950 2.209 2.141 2.646 . 0 0 "[ . 1 . 2]" 1
251 1 30 LYS H 1 30 LYS QD . . 4.600 4.111 3.617 4.533 . 0 0 "[ . 1 . 2]" 1
252 1 30 LYS QG 1 32 ASP H . . 4.800 3.936 2.099 4.705 . 0 0 "[ . 1 . 2]" 1
253 1 31 GLU HA 1 33 GLU H . . 4.390 3.938 3.407 4.389 . 0 0 "[ . 1 . 2]" 1
254 1 26 TYR QE 1 34 LEU H . . 4.640 3.603 2.969 4.335 . 0 0 "[ . 1 . 2]" 1
255 1 27 THR HA 1 36 PHE H . . 4.580 3.875 2.993 4.533 . 0 0 "[ . 1 . 2]" 1
256 1 35 SER HA 1 36 PHE H . . 3.190 2.194 2.141 2.301 . 0 0 "[ . 1 . 2]" 1
257 1 38 GLU H 1 38 GLU HB3 . . 3.440 2.483 2.321 2.644 . 0 0 "[ . 1 . 2]" 1
258 1 22 ALA H 1 40 ALA H . . 4.400 2.801 2.424 4.066 . 0 0 "[ . 1 . 2]" 1
259 1 16 TYR QB 1 44 VAL H . . 4.580 3.865 3.475 4.246 . 0 0 "[ . 1 . 2]" 1
260 1 47 LYS H 1 47 LYS HG3 . . 4.700 3.531 2.666 4.194 . 0 0 "[ . 1 . 2]" 1
261 1 47 LYS H 1 47 LYS HG2 . . 4.700 3.901 2.491 4.372 . 0 0 "[ . 1 . 2]" 1
262 1 48 ASN HD21 1 63 LEU QB . . 5.500 4.839 4.259 5.495 . 0 0 "[ . 1 . 2]" 1
263 1 48 ASN HD21 1 63 LEU HG . . 5.500 5.019 4.176 5.502 0.002 16 0 "[ . 1 . 2]" 1
264 1 48 ASN HD22 1 63 LEU QB . . 5.500 4.777 3.659 5.385 . 0 0 "[ . 1 . 2]" 1
265 1 48 ASN HD22 1 63 LEU HG . . 5.500 4.284 3.628 5.228 . 0 0 "[ . 1 . 2]" 1
266 1 52 TRP HE3 1 53 TYR H . . 4.720 4.171 3.594 4.652 . 0 0 "[ . 1 . 2]" 1
267 1 34 LEU MD1 1 55 GLY H . . 4.620 3.415 3.002 3.786 . 0 0 "[ . 1 . 2]" 1
268 1 55 GLY H 1 64 PHE QD . . 4.640 3.184 2.882 3.607 . 0 0 "[ . 1 . 2]" 1
269 1 34 LEU MD1 1 56 VAL H . . 4.890 4.445 4.028 4.808 . 0 0 "[ . 1 . 2]" 1
270 1 57 MET HB3 1 58 ASN H . . 4.660 4.094 3.646 4.269 . 0 0 "[ . 1 . 2]" 1
271 1 57 MET HB2 1 58 ASN H . . 4.830 4.455 4.236 4.568 . 0 0 "[ . 1 . 2]" 1
272 1 11 TRP HZ2 1 58 ASN H . . 4.640 3.886 3.445 4.210 . 0 0 "[ . 1 . 2]" 1
273 1 25 ASP HB2 1 26 TYR H . . 4.470 3.608 2.495 4.165 . 0 0 "[ . 1 . 2]" 1
274 1 53 TYR QD 1 66 GLY H . . 5.030 4.668 4.112 4.996 . 0 0 "[ . 1 . 2]" 1
275 1 67 ASN H 1 68 TYR H . . 3.590 2.315 1.799 3.203 . 0 0 "[ . 1 . 2]" 1
276 1 69 VAL H 1 70 GLU H . . 4.830 4.426 4.234 4.524 . 0 0 "[ . 1 . 2]" 1
277 1 9 PRO HB3 1 11 TRP HE1 . . 4.620 2.782 2.521 3.202 . 0 0 "[ . 1 . 2]" 1
278 1 72 ILE HG12 1 73 SER H . . 4.500 2.849 2.081 3.719 . 0 0 "[ . 1 . 2]" 1
279 1 11 TRP HE3 1 12 ALA MB . . 4.420 3.719 3.427 4.287 . 0 0 "[ . 1 . 2]" 1
280 1 12 ALA MB 1 16 TYR QE . . 4.710 4.251 3.808 4.613 . 0 0 "[ . 1 . 2]" 1
281 1 12 ALA MB 1 43 TYR QE . . 3.840 2.231 1.805 3.116 . 0 0 "[ . 1 . 2]" 1
282 1 12 ALA MB 1 13 PRO HD2 . . 3.340 2.289 2.073 2.484 . 0 0 "[ . 1 . 2]" 1
283 1 8 ASP HB2 1 12 ALA MB . . 3.820 3.140 2.438 3.812 . 0 0 "[ . 1 . 2]" 1
284 1 8 ASP HB3 1 12 ALA MB . . 3.820 3.147 2.297 3.818 . 0 0 "[ . 1 . 2]" 1
285 1 12 ALA MB 1 13 PRO HG2 . . 4.760 3.859 3.635 4.025 . 0 0 "[ . 1 . 2]" 1
286 1 12 ALA MB 1 13 PRO HG3 . . 5.490 4.597 4.395 4.724 . 0 0 "[ . 1 . 2]" 1
287 1 12 ALA MB 1 56 VAL MG1 . . 4.830 4.394 4.146 4.640 . 0 0 "[ . 1 . 2]" 1
288 1 11 TRP HZ3 1 12 ALA MB . . 4.710 3.536 3.015 4.602 . 0 0 "[ . 1 . 2]" 1
289 1 34 LEU HG 1 62 GLY HA3 . . 4.090 3.294 2.827 3.865 . 0 0 "[ . 1 . 2]" 1
290 1 61 THR MG 1 62 GLY HA3 . . 4.800 4.153 3.933 4.329 . 0 0 "[ . 1 . 2]" 1
291 1 34 LEU MD1 1 62 GLY HA3 . . 4.020 3.171 2.626 3.622 . 0 0 "[ . 1 . 2]" 1
292 1 34 LEU HB3 1 36 PHE QE . . 4.270 3.130 2.819 3.491 . 0 0 "[ . 1 . 2]" 1
293 1 34 LEU HB3 1 64 PHE HB3 . . 4.460 2.817 2.335 3.407 . 0 0 "[ . 1 . 2]" 1
294 1 34 LEU HB2 1 36 PHE QD . . 4.750 4.690 4.538 4.751 0.001 10 0 "[ . 1 . 2]" 1
295 1 34 LEU HB2 1 34 LEU MD1 . . 3.390 2.179 2.003 2.386 . 0 0 "[ . 1 . 2]" 1
296 1 34 LEU HB2 1 35 SER H . . 4.600 4.262 4.125 4.370 . 0 0 "[ . 1 . 2]" 1
297 1 34 LEU HB2 1 64 PHE QD . . 4.140 3.500 2.911 3.975 . 0 0 "[ . 1 . 2]" 1
298 1 34 LEU HB2 1 62 GLY HA3 . . 4.180 2.205 2.001 2.452 . 0 0 "[ . 1 . 2]" 1
299 1 34 LEU HB3 1 62 GLY HA3 . . 4.770 3.909 3.678 4.171 . 0 0 "[ . 1 . 2]" 1
300 1 52 TRP HZ3 1 63 LEU QB . . 4.640 3.913 3.154 4.425 . 0 0 "[ . 1 . 2]" 1
301 1 44 VAL MG2 1 55 GLY HA3 . . 4.520 3.934 3.723 4.191 . 0 0 "[ . 1 . 2]" 1
302 1 45 ILE H 1 55 GLY HA3 . . 4.270 3.895 3.393 4.269 . 0 0 "[ . 1 . 2]" 1
303 1 55 GLY HA3 1 64 PHE QE . . 3.640 2.203 2.004 2.603 . 0 0 "[ . 1 . 2]" 1
304 1 44 VAL HA 1 55 GLY HA3 . . 3.850 3.155 2.740 3.389 . 0 0 "[ . 1 . 2]" 1
305 1 42 ILE HB 1 55 GLY HA3 . . 5.250 4.600 4.152 4.929 . 0 0 "[ . 1 . 2]" 1
306 1 53 TYR QD 1 66 GLY HA2 . . 4.310 3.313 2.526 4.019 . 0 0 "[ . 1 . 2]" 1
307 1 66 GLY HA3 1 69 VAL MG2 . . 4.420 3.392 3.082 4.000 . 0 0 "[ . 1 . 2]" 1
308 1 53 TYR QD 1 66 GLY HA3 . . 4.310 3.729 3.075 4.308 . 0 0 "[ . 1 . 2]" 1
309 1 56 VAL MG1 1 59 GLY HA2 . . 4.540 2.933 2.577 3.164 . 0 0 "[ . 1 . 2]" 1
310 1 21 VAL MG2 1 39 GLY HA3 . . 4.540 4.390 3.928 4.534 . 0 0 "[ . 1 . 2]" 1
311 1 21 VAL H 1 72 ILE MD . . 4.680 3.791 2.332 4.525 . 0 0 "[ . 1 . 2]" 1
312 1 72 ILE H 1 72 ILE MD . . 4.840 3.229 1.765 3.827 . 0 0 "[ . 1 . 2]" 1
313 1 21 VAL HA 1 72 ILE MD . . 4.700 4.187 3.195 4.595 . 0 0 "[ . 1 . 2]" 1
314 1 20 VAL HA 1 72 ILE MD . . 4.300 3.473 1.804 4.277 . 0 0 "[ . 1 . 2]" 1
315 1 72 ILE HA 1 72 ILE MD . . 4.320 4.003 3.484 4.180 . 0 0 "[ . 1 . 2]" 1
316 1 19 LYS HE2 1 72 ILE MD . . 5.280 3.908 1.865 5.022 . 0 0 "[ . 1 . 2]" 1
317 1 19 LYS HE3 1 72 ILE MD . . 5.280 4.217 2.300 5.055 . 0 0 "[ . 1 . 2]" 1
318 1 21 VAL HB 1 72 ILE MD . . 3.290 2.606 2.027 3.291 0.001 20 0 "[ . 1 . 2]" 1
319 1 19 LYS QD 1 72 ILE MD . . 3.830 2.432 1.892 3.175 . 0 0 "[ . 1 . 2]" 1
320 1 72 ILE MD 1 72 ILE MG . . 2.730 2.027 1.840 2.276 . 0 0 "[ . 1 . 2]" 1
321 1 23 ILE H 1 23 ILE MD . . 4.070 3.678 3.612 3.820 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE MD 1 24 TYR H . . 4.450 4.185 3.788 4.444 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE MD 1 69 VAL HA . . 4.450 3.930 3.590 4.398 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE MD 1 68 TYR HA . . 4.420 3.569 2.697 4.220 . 0 0 "[ . 1 . 2]" 1
325 1 23 ILE HA 1 23 ILE MD . . 4.260 4.174 4.151 4.182 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE MD 1 70 GLU QG . . 3.940 2.717 1.781 3.827 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE MD 1 70 GLU QB . . 3.690 2.942 2.102 3.548 . 0 0 "[ . 1 . 2]" 1
328 1 23 ILE HB 1 23 ILE MD . . 3.210 2.337 2.221 2.450 . 0 0 "[ . 1 . 2]" 1
329 1 22 ALA H 1 42 ILE MD . . 4.310 3.777 3.309 4.201 . 0 0 "[ . 1 . 2]" 1
330 1 42 ILE H 1 42 ILE MD . . 4.370 3.824 3.441 4.083 . 0 0 "[ . 1 . 2]" 1
331 1 36 PHE QE 1 42 ILE MD . . 3.990 3.063 2.512 3.685 . 0 0 "[ . 1 . 2]" 1
332 1 42 ILE MD 1 64 PHE QD . . 4.440 3.479 3.179 3.728 . 0 0 "[ . 1 . 2]" 1
333 1 36 PHE QD 1 42 ILE MD . . 3.840 2.652 2.207 3.057 . 0 0 "[ . 1 . 2]" 1
334 1 42 ILE MD 1 57 MET HG3 . . 5.000 3.674 2.912 3.945 . 0 0 "[ . 1 . 2]" 1
335 1 42 ILE MD 1 64 PHE HB2 . . 5.330 4.191 3.925 4.474 . 0 0 "[ . 1 . 2]" 1
336 1 42 ILE MD 1 57 MET ME . . 4.700 4.170 3.627 4.574 . 0 0 "[ . 1 . 2]" 1
337 1 34 LEU HB3 1 42 ILE MD . . 5.080 4.140 3.769 4.584 . 0 0 "[ . 1 . 2]" 1
338 1 42 ILE MD 1 57 MET HB2 . . 5.290 3.847 3.460 4.231 . 0 0 "[ . 1 . 2]" 1
339 1 22 ALA MB 1 42 ILE MD . . 3.470 2.632 2.381 2.832 . 0 0 "[ . 1 . 2]" 1
340 1 20 VAL MG2 1 42 ILE MD . . 3.600 3.070 2.710 3.469 . 0 0 "[ . 1 . 2]" 1
341 1 42 ILE MD 1 42 ILE MG . . 3.190 2.246 2.013 2.422 . 0 0 "[ . 1 . 2]" 1
342 1 42 ILE MD 1 69 VAL MG1 . . 3.220 2.609 2.149 3.106 . 0 0 "[ . 1 . 2]" 1
343 1 22 ALA HA 1 42 ILE MD . . 4.560 4.096 3.553 4.413 . 0 0 "[ . 1 . 2]" 1
344 1 42 ILE HA 1 42 ILE MD . . 4.800 3.889 3.846 3.928 . 0 0 "[ . 1 . 2]" 1
345 1 36 PHE HB3 1 42 ILE MD . . 4.560 3.103 2.386 3.569 . 0 0 "[ . 1 . 2]" 1
346 1 36 PHE HB2 1 42 ILE MD . . 4.560 3.375 2.977 3.741 . 0 0 "[ . 1 . 2]" 1
347 1 45 ILE H 1 45 ILE MD . . 4.070 3.760 3.631 3.859 . 0 0 "[ . 1 . 2]" 1
348 1 45 ILE MD 1 55 GLY HA2 . . 4.380 3.389 2.882 3.859 . 0 0 "[ . 1 . 2]" 1
349 1 16 TYR QB 1 45 ILE MD . . 4.840 4.639 4.310 4.840 . 11 0 "[ . 1 . 2]" 1
350 1 45 ILE HB 1 45 ILE MD . . 3.210 2.336 2.168 2.514 . 0 0 "[ . 1 . 2]" 1
351 1 45 ILE MD 1 54 GLU HB3 . . 3.770 3.311 2.741 3.722 . 0 0 "[ . 1 . 2]" 1
352 1 45 ILE MD 1 54 GLU HG3 . . 4.650 4.494 3.415 4.651 0.001 16 0 "[ . 1 . 2]" 1
353 1 45 ILE MD 1 46 LYS H . . 4.630 4.153 3.787 4.515 . 0 0 "[ . 1 . 2]" 1
354 1 16 TYR HA 1 45 ILE MD . . 5.470 5.229 4.839 5.467 . 0 0 "[ . 1 . 2]" 1
355 1 17 LEU H 1 17 LEU HB2 . . 3.830 2.346 2.177 2.644 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU HB2 1 18 GLU H . . 4.010 2.293 1.993 2.588 . 0 0 "[ . 1 . 2]" 1
357 1 17 LEU HB2 1 18 GLU QG . . 4.610 3.254 2.704 3.510 . 0 0 "[ . 1 . 2]" 1
358 1 17 LEU HB3 1 18 GLU QG . . 4.610 3.199 2.758 3.671 . 0 0 "[ . 1 . 2]" 1
359 1 24 TYR HB3 1 68 TYR QD . . 4.460 3.065 2.475 3.940 . 0 0 "[ . 1 . 2]" 1
360 1 24 TYR HB2 1 25 ASP H . . 4.230 3.710 3.348 4.077 . 0 0 "[ . 1 . 2]" 1
361 1 29 ASP H 1 29 ASP HB3 . . 3.790 2.577 2.306 2.876 . 0 0 "[ . 1 . 2]" 1
362 1 29 ASP H 1 29 ASP HB2 . . 3.790 2.795 2.462 3.026 . 0 0 "[ . 1 . 2]" 1
363 1 28 LYS HA 1 29 ASP HB2 . . 4.870 4.434 4.137 4.732 . 0 0 "[ . 1 . 2]" 1
364 1 24 TYR HB2 1 68 TYR QD . . 4.460 2.390 2.004 2.909 . 0 0 "[ . 1 . 2]" 1
365 1 28 LYS HE2 1 31 GLU HA . . 4.130 3.217 2.206 4.130 . 0 0 "[ . 1 . 2]" 1
366 1 28 LYS HB2 1 28 LYS HE2 . . 4.600 3.635 2.295 4.541 . 0 0 "[ . 1 . 2]" 1
367 1 28 LYS HE3 1 31 GLU HA . . 4.130 3.187 2.303 4.118 . 0 0 "[ . 1 . 2]" 1
368 1 28 LYS HB2 1 28 LYS HE3 . . 4.600 3.580 2.097 4.509 . 0 0 "[ . 1 . 2]" 1
369 1 47 LYS QE 1 53 TYR QE . . 4.480 3.522 2.108 4.480 0.000 8 0 "[ . 1 . 2]" 1
370 1 47 LYS HB2 1 47 LYS QE . . 4.520 3.669 2.963 4.268 . 0 0 "[ . 1 . 2]" 1
371 1 47 LYS HB3 1 47 LYS QE . . 4.520 3.194 1.989 3.942 . 0 0 "[ . 1 . 2]" 1
372 1 44 VAL MG1 1 47 LYS QE . . 4.420 2.947 2.008 4.421 0.001 17 0 "[ . 1 . 2]" 1
373 1 47 LYS QE 1 47 LYS HG2 . . 3.620 2.576 2.115 3.376 . 0 0 "[ . 1 . 2]" 1
374 1 26 TYR HB2 1 36 PHE QE . . 4.470 3.369 2.526 3.896 . 0 0 "[ . 1 . 2]" 1
375 1 26 TYR HB2 1 36 PHE HZ . . 4.380 3.815 2.991 4.349 . 0 0 "[ . 1 . 2]" 1
376 1 30 LYS HE3 1 30 LYS QG . . 3.850 2.586 2.111 3.473 . 0 0 "[ . 1 . 2]" 1
377 1 30 LYS HE2 1 30 LYS QG . . 3.850 2.744 2.079 3.448 . 0 0 "[ . 1 . 2]" 1
378 1 26 TYR HB2 1 68 TYR QD . . 4.140 2.617 2.082 3.095 . 0 0 "[ . 1 . 2]" 1
379 1 26 TYR H 1 26 TYR HB3 . . 3.740 2.656 2.454 2.992 . 0 0 "[ . 1 . 2]" 1
380 1 26 TYR HB3 1 36 PHE QE . . 4.370 2.968 2.499 3.695 . 0 0 "[ . 1 . 2]" 1
381 1 26 TYR HB3 1 36 PHE QD . . 4.990 3.718 3.350 4.148 . 0 0 "[ . 1 . 2]" 1
382 1 20 VAL MG2 1 42 ILE HB . . 3.200 2.223 1.899 2.605 . 0 0 "[ . 1 . 2]" 1
383 1 42 ILE HB 1 42 ILE MD . . 3.560 2.247 2.112 2.376 . 0 0 "[ . 1 . 2]" 1
384 1 19 LYS HE3 1 43 TYR QE . . 4.850 3.150 1.999 4.587 . 0 0 "[ . 1 . 2]" 1
385 1 19 LYS HE3 1 41 ILE MG . . 4.350 3.319 1.895 4.329 . 0 0 "[ . 1 . 2]" 1
386 1 41 ILE MD 1 42 ILE H . . 4.760 3.866 3.413 4.776 0.016 15 0 "[ . 1 . 2]" 1
387 1 21 VAL HA 1 41 ILE MD . . 3.930 3.416 2.878 3.846 . 0 0 "[ . 1 . 2]" 1
388 1 21 VAL HB 1 41 ILE MD . . 3.670 3.216 2.334 3.669 . 0 0 "[ . 1 . 2]" 1
389 1 8 ASP HB2 1 9 PRO HD2 . . 4.850 3.007 2.031 3.863 . 0 0 "[ . 1 . 2]" 1
390 1 8 ASP HB3 1 9 PRO HD3 . . 4.850 3.790 3.441 4.292 . 0 0 "[ . 1 . 2]" 1
391 1 48 ASN HB2 1 50 ASP H . . 4.050 3.494 2.794 3.918 . 0 0 "[ . 1 . 2]" 1
392 1 47 LYS HA 1 48 ASN HB2 . . 4.850 4.504 4.314 4.714 . 0 0 "[ . 1 . 2]" 1
393 1 48 ASN HB3 1 50 ASP H . . 4.040 2.998 2.465 3.953 . 0 0 "[ . 1 . 2]" 1
394 1 49 ASP HB2 1 50 ASP H . . 4.690 3.197 2.161 4.448 . 0 0 "[ . 1 . 2]" 1
395 1 36 PHE HB3 1 40 ALA MB . . 3.740 3.212 2.797 3.542 . 0 0 "[ . 1 . 2]" 1
396 1 61 THR H 1 61 THR HB . . 3.360 2.697 2.615 2.867 . 0 0 "[ . 1 . 2]" 1
397 1 45 ILE HB 1 46 LYS H . . 4.400 3.957 3.689 4.188 . 0 0 "[ . 1 . 2]" 1
398 1 61 THR HB 1 62 GLY H . . 4.450 3.799 3.488 4.133 . 0 0 "[ . 1 . 2]" 1
399 1 13 PRO HG2 1 43 TYR HB2 . . 4.590 3.148 2.679 3.864 . 0 0 "[ . 1 . 2]" 1
400 1 13 PRO HG3 1 43 TYR HB2 . . 4.840 2.707 2.279 3.416 . 0 0 "[ . 1 . 2]" 1
401 1 13 PRO HG2 1 43 TYR HB3 . . 4.140 2.955 2.453 3.455 . 0 0 "[ . 1 . 2]" 1
402 1 13 PRO HG3 1 43 TYR HB3 . . 4.730 3.278 2.870 3.617 . 0 0 "[ . 1 . 2]" 1
403 1 72 ILE H 1 72 ILE HB . . 3.770 3.673 3.612 3.771 0.001 15 0 "[ . 1 . 2]" 1
404 1 72 ILE HB 1 72 ILE MD . . 3.490 2.542 2.237 3.222 . 0 0 "[ . 1 . 2]" 1
405 1 26 TYR HA 1 27 THR HB . . 4.770 4.654 4.422 4.762 . 0 0 "[ . 1 . 2]" 1
406 1 27 THR H 1 27 THR HB . . 3.400 2.648 2.552 2.885 . 0 0 "[ . 1 . 2]" 1
407 1 27 THR HB 1 28 LYS H . . 4.760 4.191 3.545 4.442 . 0 0 "[ . 1 . 2]" 1
408 1 23 ILE H 1 23 ILE HB . . 4.130 3.647 3.599 3.753 . 0 0 "[ . 1 . 2]" 1
409 1 36 PHE QE 1 64 PHE HB3 . . 3.330 2.142 2.003 2.375 . 0 0 "[ . 1 . 2]" 1
410 1 26 TYR QD 1 64 PHE HB3 . . 4.730 4.351 3.684 4.726 . 0 0 "[ . 1 . 2]" 1
411 1 36 PHE HZ 1 64 PHE HB3 . . 4.430 3.816 3.258 4.335 . 0 0 "[ . 1 . 2]" 1
412 1 64 PHE HB3 1 65 PRO HD2 . . 4.560 3.357 3.140 3.533 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU HB2 1 64 PHE HB3 . . 4.390 3.727 3.102 4.223 . 0 0 "[ . 1 . 2]" 1
414 1 34 LEU MD1 1 64 PHE HB3 . . 5.010 4.124 3.418 4.802 . 0 0 "[ . 1 . 2]" 1
415 1 34 LEU MD2 1 64 PHE HB3 . . 5.370 4.261 3.974 4.751 . 0 0 "[ . 1 . 2]" 1
416 1 68 TYR HB2 1 69 VAL H . . 4.770 3.621 2.753 4.172 . 0 0 "[ . 1 . 2]" 1
417 1 36 PHE QE 1 64 PHE HB2 . . 3.430 2.236 2.000 2.618 . 0 0 "[ . 1 . 2]" 1
418 1 26 TYR QD 1 64 PHE HB2 . . 4.740 4.086 3.673 4.604 . 0 0 "[ . 1 . 2]" 1
419 1 36 PHE HZ 1 64 PHE HB2 . . 4.220 2.546 2.110 2.939 . 0 0 "[ . 1 . 2]" 1
420 1 68 TYR HB3 1 69 VAL H . . 4.770 4.109 3.324 4.453 . 0 0 "[ . 1 . 2]" 1
421 1 16 TYR QB 1 43 TYR QD . . 4.670 4.043 3.705 4.552 . 0 0 "[ . 1 . 2]" 1
422 1 16 TYR QB 1 43 TYR HA . . 4.790 4.090 3.875 4.571 . 0 0 "[ . 1 . 2]" 1
423 1 16 TYR QB 1 43 TYR HB3 . . 3.980 2.667 2.246 3.212 . 0 0 "[ . 1 . 2]" 1
424 1 13 PRO HG2 1 16 TYR QB . . 3.830 2.844 2.126 3.229 . 0 0 "[ . 1 . 2]" 1
425 1 13 PRO HG3 1 16 TYR QB . . 4.410 3.375 2.625 3.880 . 0 0 "[ . 1 . 2]" 1
426 1 40 ALA HA 1 41 ILE HB . . 4.730 4.648 4.543 4.726 . 0 0 "[ . 1 . 2]" 1
427 1 33 GLU H 1 33 GLU HG2 . . 4.640 4.030 3.472 4.571 . 0 0 "[ . 1 . 2]" 1
428 1 33 GLU H 1 33 GLU HG3 . . 4.640 3.634 2.355 4.515 . 0 0 "[ . 1 . 2]" 1
429 1 33 GLU HG2 1 52 TRP HZ3 . . 5.020 3.317 2.286 4.660 . 0 0 "[ . 1 . 2]" 1
430 1 44 VAL MG1 1 46 LYS QB . . 5.500 4.325 4.024 4.520 . 0 0 "[ . 1 . 2]" 1
431 1 45 ILE MD 1 54 GLU HG2 . . 4.650 3.277 2.944 4.453 . 0 0 "[ . 1 . 2]" 1
432 1 34 LEU MD1 1 57 MET HB2 . . 3.830 2.367 2.126 2.543 . 0 0 "[ . 1 . 2]" 1
433 1 34 LEU MD2 1 57 MET HB2 . . 4.280 2.640 2.217 2.942 . 0 0 "[ . 1 . 2]" 1
434 1 31 GLU H 1 31 GLU QG . . 3.930 2.211 1.921 2.972 . 0 0 "[ . 1 . 2]" 1
435 1 70 GLU H 1 70 GLU QG . . 4.350 3.653 2.312 4.310 . 0 0 "[ . 1 . 2]" 1
436 1 69 VAL HB 1 70 GLU H . . 3.310 2.454 1.991 3.037 . 0 0 "[ . 1 . 2]" 1
437 1 22 ALA HA 1 69 VAL HB . . 4.610 3.669 2.957 4.266 . 0 0 "[ . 1 . 2]" 1
438 1 20 VAL HB 1 69 VAL HB . . 3.130 2.354 2.041 2.700 . 0 0 "[ . 1 . 2]" 1
439 1 20 VAL MG1 1 69 VAL HB . . 4.140 3.616 3.110 4.086 . 0 0 "[ . 1 . 2]" 1
440 1 20 VAL HB 1 21 VAL HA . . 5.180 4.459 4.274 4.644 . 0 0 "[ . 1 . 2]" 1
441 1 38 GLU HG2 1 39 GLY H . . 4.110 3.311 2.095 3.895 . 0 0 "[ . 1 . 2]" 1
442 1 18 GLU QG 1 20 VAL MG1 . . 3.580 2.782 2.296 3.579 . 0 0 "[ . 1 . 2]" 1
443 1 18 GLU QG 1 19 LYS H . . 4.420 3.240 2.748 3.851 . 0 0 "[ . 1 . 2]" 1
444 1 21 VAL HB 1 22 ALA H . . 4.400 4.140 3.976 4.372 . 0 0 "[ . 1 . 2]" 1
445 1 21 VAL H 1 21 VAL HB . . 4.060 3.093 2.907 3.316 . 0 0 "[ . 1 . 2]" 1
446 1 37 GLN HG3 1 38 GLU H . . 4.880 4.101 3.311 4.839 . 0 0 "[ . 1 . 2]" 1
447 1 37 GLN HA 1 37 GLN HG3 . . 4.000 3.334 2.401 3.904 . 0 0 "[ . 1 . 2]" 1
448 1 37 GLN H 1 37 GLN HG3 . . 4.410 3.163 2.649 3.869 . 0 0 "[ . 1 . 2]" 1
449 1 37 GLN HA 1 37 GLN HG2 . . 4.000 3.318 2.251 3.879 . 0 0 "[ . 1 . 2]" 1
450 1 43 TYR QD 1 56 VAL HB . . 4.750 3.430 2.778 4.074 . 0 0 "[ . 1 . 2]" 1
451 1 43 TYR H 1 56 VAL HB . . 4.730 4.227 3.766 4.526 . 0 0 "[ . 1 . 2]" 1
452 1 43 TYR HB2 1 56 VAL HB . . 3.670 3.436 2.931 3.618 . 0 0 "[ . 1 . 2]" 1
453 1 28 LYS H 1 35 SER HB3 . . 4.860 2.826 1.919 3.829 . 0 0 "[ . 1 . 2]" 1
454 1 35 SER H 1 35 SER HB3 . . 4.030 2.885 2.276 3.612 . 0 0 "[ . 1 . 2]" 1
455 1 27 THR HA 1 35 SER HB3 . . 4.420 3.642 2.434 4.358 . 0 0 "[ . 1 . 2]" 1
456 1 27 THR HA 1 35 SER HB2 . . 4.420 3.234 2.215 4.408 . 0 0 "[ . 1 . 2]" 1
457 1 35 SER H 1 35 SER HB2 . . 4.030 3.406 2.407 3.735 . 0 0 "[ . 1 . 2]" 1
458 1 30 LYS HB2 1 30 LYS QD . . 3.860 2.852 2.091 3.447 . 0 0 "[ . 1 . 2]" 1
459 1 30 LYS HB2 1 32 ASP H . . 4.630 2.899 2.288 3.377 . 0 0 "[ . 1 . 2]" 1
460 1 19 LYS HB2 1 19 LYS HE2 . . 5.500 3.817 2.427 4.899 . 0 0 "[ . 1 . 2]" 1
461 1 19 LYS HB2 1 19 LYS HE3 . . 5.500 3.476 2.313 4.688 . 0 0 "[ . 1 . 2]" 1
462 1 19 LYS HB3 1 19 LYS HE2 . . 5.500 3.921 2.012 4.684 . 0 0 "[ . 1 . 2]" 1
463 1 19 LYS HB3 1 19 LYS HE3 . . 5.500 3.719 2.549 4.774 . 0 0 "[ . 1 . 2]" 1
464 1 60 VAL HB 1 61 THR H . . 4.480 4.225 4.056 4.373 . 0 0 "[ . 1 . 2]" 1
465 1 44 VAL HA 1 45 ILE H . . 3.100 2.151 2.140 2.217 . 0 0 "[ . 1 . 2]" 1
466 1 44 VAL HA 1 46 LYS H . . 4.390 3.483 3.332 3.726 . 0 0 "[ . 1 . 2]" 1
467 1 44 VAL HA 1 55 GLY HA2 . . 3.560 3.085 2.786 3.277 . 0 0 "[ . 1 . 2]" 1
468 1 46 LYS QB 1 54 GLU HB3 . . 2.980 1.903 1.786 1.998 . 0 0 "[ . 1 . 2]" 1
469 1 45 ILE HB 1 54 GLU HB3 . . 5.090 4.926 4.402 5.090 . 15 0 "[ . 1 . 2]" 1
470 1 28 LYS HB2 1 33 GLU HB2 . . 4.020 2.225 2.001 2.965 . 0 0 "[ . 1 . 2]" 1
471 1 28 LYS HB3 1 33 GLU HB2 . . 4.430 3.529 2.844 4.377 . 0 0 "[ . 1 . 2]" 1
472 1 28 LYS HB2 1 30 LYS H . . 4.600 3.481 2.540 4.372 . 0 0 "[ . 1 . 2]" 1
473 1 28 LYS HB2 1 33 GLU HB3 . . 4.020 2.603 2.058 4.020 0.000 10 0 "[ . 1 . 2]" 1
474 1 28 LYS HB3 1 33 GLU HB3 . . 4.430 3.047 2.176 3.838 . 0 0 "[ . 1 . 2]" 1
475 1 28 LYS HB3 1 35 SER H . . 4.910 3.386 2.805 4.395 . 0 0 "[ . 1 . 2]" 1
476 1 18 GLU HB2 1 20 VAL MG1 . . 4.470 4.190 3.924 4.444 . 0 0 "[ . 1 . 2]" 1
477 1 37 GLN H 1 37 GLN HB3 . . 4.180 3.338 2.922 3.806 . 0 0 "[ . 1 . 2]" 1
478 1 57 MET HA 1 57 MET HG3 . . 3.980 3.259 2.411 3.593 . 0 0 "[ . 1 . 2]" 1
479 1 40 ALA MB 1 57 MET HG3 . . 4.320 3.321 2.833 3.889 . 0 0 "[ . 1 . 2]" 1
480 1 42 ILE HG12 1 57 MET HG3 . . 4.230 2.739 2.250 3.288 . 0 0 "[ . 1 . 2]" 1
481 1 13 PRO HB3 1 56 VAL MG2 . . 4.060 2.906 2.371 3.367 . 0 0 "[ . 1 . 2]" 1
482 1 57 MET HA 1 57 MET HG2 . . 3.980 2.380 2.193 2.818 . 0 0 "[ . 1 . 2]" 1
483 1 34 LEU MD1 1 57 MET HG2 . . 4.950 4.633 4.264 4.913 . 0 0 "[ . 1 . 2]" 1
484 1 42 ILE HG13 1 57 MET HG2 . . 5.150 4.185 2.764 5.127 . 0 0 "[ . 1 . 2]" 1
485 1 42 ILE HG12 1 57 MET HG2 . . 4.230 3.668 2.495 4.113 . 0 0 "[ . 1 . 2]" 1
486 1 13 PRO HB2 1 16 TYR QB . . 4.300 3.429 2.814 3.941 . 0 0 "[ . 1 . 2]" 1
487 1 13 PRO HB2 1 45 ILE MG . . 4.170 2.959 2.371 3.493 . 0 0 "[ . 1 . 2]" 1
488 1 65 PRO HA 1 66 GLY H . . 3.080 2.177 2.154 2.206 . 0 0 "[ . 1 . 2]" 1
489 1 52 TRP HA 1 65 PRO HA . . 3.440 2.596 2.119 2.937 . 0 0 "[ . 1 . 2]" 1
490 1 53 TYR H 1 65 PRO HA . . 4.370 4.018 3.480 4.343 . 0 0 "[ . 1 . 2]" 1
491 1 9 PRO HB3 1 10 PRO HD3 . . 4.270 3.818 3.737 3.969 . 0 0 "[ . 1 . 2]" 1
492 1 9 PRO HB3 1 10 PRO HD2 . . 4.270 2.764 2.695 2.899 . 0 0 "[ . 1 . 2]" 1
493 1 9 PRO HB2 1 10 PRO HD2 . . 4.270 2.157 2.014 2.421 . 0 0 "[ . 1 . 2]" 1
494 1 23 ILE HA 1 39 GLY H . . 4.590 3.821 3.073 4.129 . 0 0 "[ . 1 . 2]" 1
495 1 23 ILE HA 1 38 GLU HA . . 4.640 3.711 3.090 4.347 . 0 0 "[ . 1 . 2]" 1
496 1 23 ILE HA 1 38 GLU HG2 . . 4.360 3.967 3.074 4.352 . 0 0 "[ . 1 . 2]" 1
497 1 23 ILE HA 1 23 ILE MG . . 3.130 2.242 2.071 2.393 . 0 0 "[ . 1 . 2]" 1
498 1 23 ILE HA 1 38 GLU HG3 . . 4.360 2.998 2.143 4.337 . 0 0 "[ . 1 . 2]" 1
499 1 14 ARG H 1 14 ARG HB2 . . 3.910 2.626 2.174 3.616 . 0 0 "[ . 1 . 2]" 1
500 1 31 GLU H 1 31 GLU HB2 . . 3.790 3.366 2.343 3.673 . 0 0 "[ . 1 . 2]" 1
501 1 31 GLU HB2 1 32 ASP H . . 4.610 3.797 2.705 4.467 . 0 0 "[ . 1 . 2]" 1
502 1 31 GLU HB3 1 32 ASP H . . 4.610 4.085 3.526 4.615 0.005 10 0 "[ . 1 . 2]" 1
503 1 38 GLU H 1 38 GLU HB2 . . 3.440 2.589 2.414 2.751 . 0 0 "[ . 1 . 2]" 1
504 1 24 TYR HA 1 38 GLU HB2 . . 4.680 2.734 2.304 3.029 . 0 0 "[ . 1 . 2]" 1
505 1 24 TYR HA 1 38 GLU HB3 . . 4.680 4.427 4.053 4.677 . 0 0 "[ . 1 . 2]" 1
506 1 28 LYS HD2 1 31 GLU HA . . 4.970 4.264 3.180 4.971 0.001 16 0 "[ . 1 . 2]" 1
507 1 19 LYS QD 1 43 TYR QE . . 4.120 3.535 1.990 4.114 . 0 0 "[ . 1 . 2]" 1
508 1 27 THR HA 1 35 SER HA . . 4.010 3.331 2.656 3.770 . 0 0 "[ . 1 . 2]" 1
509 1 46 LYS QD 1 54 GLU HB3 . . 4.950 3.653 2.765 4.787 . 0 0 "[ . 1 . 2]" 1
510 1 20 VAL HA 1 71 SER HA . . 3.490 2.822 2.347 3.254 . 0 0 "[ . 1 . 2]" 1
511 1 20 VAL HB 1 71 SER HA . . 4.320 3.845 3.272 4.312 . 0 0 "[ . 1 . 2]" 1
512 1 46 LYS HA 1 46 LYS QD . . 4.750 3.333 2.141 4.144 . 0 0 "[ . 1 . 2]" 1
513 1 30 LYS HB3 1 30 LYS QD . . 3.860 2.358 2.068 2.932 . 0 0 "[ . 1 . 2]" 1
514 1 52 TRP HB3 1 53 TYR H . . 4.510 3.501 3.066 3.911 . 0 0 "[ . 1 . 2]" 1
515 1 30 LYS HA 1 31 GLU HA . . 4.600 4.312 4.293 4.371 . 0 0 "[ . 1 . 2]" 1
516 1 31 GLU HA 1 31 GLU QG . . 3.840 3.212 2.387 3.458 . 0 0 "[ . 1 . 2]" 1
517 1 28 LYS HD3 1 31 GLU HA . . 4.970 4.416 3.613 4.963 . 0 0 "[ . 1 . 2]" 1
518 1 26 TYR HA 1 26 TYR QD . . 3.830 2.681 2.072 3.193 . 0 0 "[ . 1 . 2]" 1
519 1 63 LEU H 1 63 LEU HG . . 3.920 3.486 3.066 3.915 . 0 0 "[ . 1 . 2]" 1
520 1 63 LEU HA 1 63 LEU HG . . 4.020 2.862 2.260 3.765 . 0 0 "[ . 1 . 2]" 1
521 1 33 GLU HA 1 63 LEU HG . . 5.490 5.185 4.791 5.487 . 0 0 "[ . 1 . 2]" 1
522 1 42 ILE HG13 1 57 MET HB2 . . 4.320 4.133 3.667 4.320 . 0 0 "[ . 1 . 2]" 1
523 1 40 ALA MB 1 42 ILE HG13 . . 4.120 3.248 2.703 3.603 . 0 0 "[ . 1 . 2]" 1
524 1 42 ILE H 1 42 ILE HG13 . . 4.020 2.878 2.399 3.103 . 0 0 "[ . 1 . 2]" 1
525 1 42 ILE HA 1 42 ILE HG13 . . 3.870 2.816 2.656 2.981 . 0 0 "[ . 1 . 2]" 1
526 1 42 ILE HG13 1 57 MET HG3 . . 5.150 3.368 2.663 3.978 . 0 0 "[ . 1 . 2]" 1
527 1 64 PHE HB2 1 65 PRO HG2 . . 5.270 3.891 3.765 4.049 . 0 0 "[ . 1 . 2]" 1
528 1 42 ILE HA 1 42 ILE HG12 . . 3.910 2.739 2.614 2.827 . 0 0 "[ . 1 . 2]" 1
529 1 42 ILE HG12 1 57 MET HB3 . . 4.470 4.105 3.657 4.467 . 0 0 "[ . 1 . 2]" 1
530 1 42 ILE HG12 1 57 MET HB2 . . 3.750 2.632 2.139 2.916 . 0 0 "[ . 1 . 2]" 1
531 1 38 GLU HA 1 39 GLY H . . 2.750 2.172 2.143 2.299 . 0 0 "[ . 1 . 2]" 1
532 1 38 GLU HA 1 40 ALA H . . 4.180 3.939 3.539 4.153 . 0 0 "[ . 1 . 2]" 1
533 1 38 GLU HA 1 38 GLU HG2 . . 3.910 3.021 2.467 3.279 . 0 0 "[ . 1 . 2]" 1
534 1 38 GLU HA 1 38 GLU HG3 . . 3.910 2.864 2.588 3.658 . 0 0 "[ . 1 . 2]" 1
535 1 24 TYR H 1 38 GLU HA . . 4.750 3.687 3.234 4.084 . 0 0 "[ . 1 . 2]" 1
536 1 9 PRO HA 1 10 PRO QG . . 4.470 4.070 3.994 4.112 . 0 0 "[ . 1 . 2]" 1
537 1 22 ALA MB 1 42 ILE HG13 . . 4.080 3.998 3.790 4.080 . 10 0 "[ . 1 . 2]" 1
538 1 14 ARG H 1 14 ARG HG2 . . 4.560 3.345 1.896 4.523 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU H 1 34 LEU HG . . 4.700 4.589 4.539 4.664 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU HA 1 34 LEU HG . . 4.200 2.367 2.273 2.504 . 0 0 "[ . 1 . 2]" 1
541 1 72 ILE H 1 72 ILE HG12 . . 4.040 2.294 1.919 3.374 . 0 0 "[ . 1 . 2]" 1
542 1 36 PHE QE 1 65 PRO HG2 . . 5.040 4.700 4.320 5.032 . 0 0 "[ . 1 . 2]" 1
543 1 26 TYR QD 1 65 PRO HG2 . . 4.520 3.970 3.343 4.394 . 0 0 "[ . 1 . 2]" 1
544 1 72 ILE H 1 72 ILE HG13 . . 4.040 3.006 2.310 3.813 . 0 0 "[ . 1 . 2]" 1
545 1 20 VAL HA 1 72 ILE HG13 . . 4.530 4.329 3.611 4.521 . 0 0 "[ . 1 . 2]" 1
546 1 26 TYR QD 1 65 PRO HG3 . . 5.180 3.657 2.954 4.248 . 0 0 "[ . 1 . 2]" 1
547 1 52 TRP HA 1 52 TRP HE3 . . 4.690 3.269 2.944 3.771 . 0 0 "[ . 1 . 2]" 1
548 1 17 LEU HA 1 17 LEU HG . . 4.170 2.782 2.275 3.049 . 0 0 "[ . 1 . 2]" 1
549 1 14 ARG HA 1 14 ARG QD . . 4.050 3.740 2.264 4.103 0.053 19 0 "[ . 1 . 2]" 1
550 1 42 ILE MG 1 43 TYR HA . . 4.700 3.833 3.600 4.055 . 0 0 "[ . 1 . 2]" 1
551 1 45 ILE H 1 45 ILE HG12 . . 3.970 2.187 1.927 2.466 . 0 0 "[ . 1 . 2]" 1
552 1 45 ILE HG12 1 54 GLU HB3 . . 4.370 3.593 3.067 4.151 . 0 0 "[ . 1 . 2]" 1
553 1 45 ILE HG13 1 54 GLU HB3 . . 4.370 2.514 2.035 2.784 . 0 0 "[ . 1 . 2]" 1
554 1 23 ILE HG13 1 69 VAL HA . . 4.600 4.068 3.648 4.508 . 0 0 "[ . 1 . 2]" 1
555 1 23 ILE HG12 1 69 VAL HA . . 4.600 2.651 2.219 3.133 . 0 0 "[ . 1 . 2]" 1
556 1 28 LYS HA 1 29 ASP H . . 2.980 2.211 2.140 2.411 . 0 0 "[ . 1 . 2]" 1
557 1 28 LYS HA 1 30 LYS H . . 4.410 4.005 3.456 4.376 . 0 0 "[ . 1 . 2]" 1
558 1 26 TYR QE 1 28 LYS HA . . 3.540 2.898 2.241 3.527 . 0 0 "[ . 1 . 2]" 1
559 1 28 LYS HA 1 29 ASP HB3 . . 4.870 4.671 4.391 4.842 . 0 0 "[ . 1 . 2]" 1
560 1 28 LYS HA 1 33 GLU HB2 . . 3.890 3.335 2.994 3.765 . 0 0 "[ . 1 . 2]" 1
561 1 28 LYS HA 1 33 GLU HB3 . . 3.890 2.868 2.302 3.671 . 0 0 "[ . 1 . 2]" 1
562 1 27 THR MG 1 28 LYS HA . . 4.850 4.260 3.678 4.552 . 0 0 "[ . 1 . 2]" 1
563 1 54 GLU HG2 1 63 LEU MD1 . . 5.200 4.373 2.683 5.197 . 0 0 "[ . 1 . 2]" 1
564 1 54 GLU HG3 1 63 LEU MD1 . . 5.200 3.160 1.947 4.246 . 0 0 "[ . 1 . 2]" 1
565 1 34 LEU MD1 1 57 MET HB3 . . 3.590 2.709 2.204 3.071 . 0 0 "[ . 1 . 2]" 1
566 1 63 LEU H 1 63 LEU MD1 . . 4.800 3.297 1.997 4.121 . 0 0 "[ . 1 . 2]" 1
567 1 63 LEU HA 1 63 LEU MD1 . . 4.500 3.181 2.098 3.837 . 0 0 "[ . 1 . 2]" 1
568 1 46 LYS HA 1 46 LYS QG . . 3.610 2.363 2.155 2.748 . 0 0 "[ . 1 . 2]" 1
569 1 34 LEU MD1 1 35 SER H . . 4.530 4.363 4.138 4.526 . 0 0 "[ . 1 . 2]" 1
570 1 34 LEU MD1 1 64 PHE QD . . 3.750 3.059 2.241 3.636 . 0 0 "[ . 1 . 2]" 1
571 1 34 LEU MD1 1 36 PHE QD . . 4.310 3.812 3.121 4.273 . 0 0 "[ . 1 . 2]" 1
572 1 34 LEU HA 1 34 LEU MD1 . . 4.030 3.687 3.573 3.795 . 0 0 "[ . 1 . 2]" 1
573 1 34 LEU MD1 1 62 GLY HA2 . . 4.460 4.042 3.619 4.456 . 0 0 "[ . 1 . 2]" 1
574 1 34 LEU MD1 1 57 MET HG3 . . 4.950 4.079 3.451 4.561 . 0 0 "[ . 1 . 2]" 1
575 1 34 LEU MD1 1 42 ILE MD . . 4.250 3.547 2.667 4.180 . 0 0 "[ . 1 . 2]" 1
576 1 47 LYS HA 1 47 LYS HG2 . . 4.070 2.469 2.170 3.728 . 0 0 "[ . 1 . 2]" 1
577 1 44 VAL MG2 1 53 TYR HB2 . . 4.250 2.870 2.381 3.340 . 0 0 "[ . 1 . 2]" 1
578 1 44 VAL MG2 1 53 TYR HB3 . . 4.250 3.043 2.398 3.657 . 0 0 "[ . 1 . 2]" 1
579 1 44 VAL H 1 44 VAL MG2 . . 3.390 2.367 2.164 2.655 . 0 0 "[ . 1 . 2]" 1
580 1 20 VAL H 1 44 VAL MG2 . . 4.480 3.451 2.785 3.950 . 0 0 "[ . 1 . 2]" 1
581 1 18 GLU H 1 44 VAL MG2 . . 4.750 4.099 3.644 4.541 . 0 0 "[ . 1 . 2]" 1
582 1 44 VAL MG2 1 53 TYR QD . . 3.290 2.823 2.273 3.293 0.003 10 0 "[ . 1 . 2]" 1
583 1 19 LYS HA 1 44 VAL MG2 . . 4.500 3.558 3.039 4.064 . 0 0 "[ . 1 . 2]" 1
584 1 43 TYR HA 1 44 VAL MG2 . . 4.310 3.920 3.684 4.127 . 0 0 "[ . 1 . 2]" 1
585 1 44 VAL HA 1 44 VAL MG2 . . 3.360 2.286 2.124 2.446 . 0 0 "[ . 1 . 2]" 1
586 1 18 GLU QG 1 44 VAL MG2 . . 3.680 2.684 2.066 3.640 . 0 0 "[ . 1 . 2]" 1
587 1 47 LYS HA 1 47 LYS HG3 . . 4.070 3.254 2.915 3.786 . 0 0 "[ . 1 . 2]" 1
588 1 19 LYS HG2 1 20 VAL H . . 4.590 2.708 1.933 4.591 0.001 15 0 "[ . 1 . 2]" 1
589 1 19 LYS HG3 1 20 VAL H . . 4.590 3.282 2.404 3.726 . 0 0 "[ . 1 . 2]" 1
590 1 30 LYS QG 1 33 GLU HG3 . . 5.270 4.105 1.973 5.244 . 0 0 "[ . 1 . 2]" 1
591 1 30 LYS HA 1 30 LYS QD . . 4.310 3.448 2.018 4.347 0.037 17 0 "[ . 1 . 2]" 1
592 1 30 LYS HA 1 30 LYS QG . . 3.900 2.857 2.225 3.343 . 0 0 "[ . 1 . 2]" 1
593 1 34 LEU MD2 1 62 GLY H . . 4.820 4.648 4.436 4.818 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU MD2 1 36 PHE QE . . 4.050 3.631 3.374 3.872 . 0 0 "[ . 1 . 2]" 1
595 1 34 LEU MD2 1 61 THR HA . . 4.740 4.674 4.512 4.739 . 0 0 "[ . 1 . 2]" 1
596 1 34 LEU MD2 1 62 GLY HA3 . . 5.500 4.503 4.143 4.777 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU HB3 1 34 LEU MD2 . . 3.500 2.182 2.047 2.331 . 0 0 "[ . 1 . 2]" 1
598 1 34 LEU MD2 1 42 ILE MD . . 4.420 3.273 2.545 3.807 . 0 0 "[ . 1 . 2]" 1
599 1 34 LEU H 1 34 LEU MD2 . . 4.820 4.288 4.213 4.381 . 0 0 "[ . 1 . 2]" 1
600 1 34 LEU HA 1 34 LEU MD2 . . 3.440 2.860 2.485 3.108 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU MD2 1 57 MET HB3 . . 3.650 2.144 1.941 2.385 . 0 0 "[ . 1 . 2]" 1
602 1 63 LEU H 1 63 LEU MD2 . . 4.800 3.547 1.952 4.308 . 0 0 "[ . 1 . 2]" 1
603 1 63 LEU HA 1 63 LEU MD2 . . 4.500 2.755 2.267 3.679 . 0 0 "[ . 1 . 2]" 1
604 1 54 GLU HG3 1 63 LEU MD2 . . 5.200 3.114 1.962 5.162 . 0 0 "[ . 1 . 2]" 1
605 1 17 LEU H 1 17 LEU MD2 . . 4.460 3.795 3.462 4.139 . 0 0 "[ . 1 . 2]" 1
606 1 68 TYR HB2 1 69 VAL MG1 . . 4.390 3.338 3.039 3.734 . 0 0 "[ . 1 . 2]" 1
607 1 23 ILE H 1 69 VAL MG1 . . 4.100 3.565 3.201 4.101 0.001 20 0 "[ . 1 . 2]" 1
608 1 69 VAL MG1 1 70 GLU H . . 4.130 3.658 3.183 3.971 . 0 0 "[ . 1 . 2]" 1
609 1 68 TYR H 1 69 VAL MG1 . . 4.810 3.975 3.404 4.646 . 0 0 "[ . 1 . 2]" 1
610 1 36 PHE QE 1 69 VAL MG1 . . 3.970 2.975 1.953 3.372 . 0 0 "[ . 1 . 2]" 1
611 1 69 VAL HA 1 69 VAL MG1 . . 3.320 2.305 2.107 2.471 . 0 0 "[ . 1 . 2]" 1
612 1 22 ALA HA 1 69 VAL MG1 . . 3.130 2.198 1.971 2.755 . 0 0 "[ . 1 . 2]" 1
613 1 68 TYR HB3 1 69 VAL MG1 . . 4.390 3.542 2.774 4.233 . 0 0 "[ . 1 . 2]" 1
614 1 20 VAL HB 1 69 VAL MG1 . . 4.090 3.588 3.151 4.000 . 0 0 "[ . 1 . 2]" 1
615 1 20 VAL H 1 20 VAL MG1 . . 3.280 3.023 2.798 3.180 . 0 0 "[ . 1 . 2]" 1
616 1 20 VAL HA 1 20 VAL MG1 . . 3.220 2.301 2.157 2.412 . 0 0 "[ . 1 . 2]" 1
617 1 20 VAL MG1 1 44 VAL HB . . 3.800 3.703 3.467 3.795 . 0 0 "[ . 1 . 2]" 1
618 1 19 LYS HA 1 20 VAL MG1 . . 4.330 3.658 3.428 3.977 . 0 0 "[ . 1 . 2]" 1
619 1 20 VAL MG1 1 71 SER HA . . 2.970 2.370 1.983 2.833 . 0 0 "[ . 1 . 2]" 1
620 1 20 VAL MG1 1 71 SER QB . . 4.040 3.360 2.708 3.924 . 0 0 "[ . 1 . 2]" 1
621 1 44 VAL MG1 1 45 ILE H . . 3.720 2.799 2.377 3.192 . 0 0 "[ . 1 . 2]" 1
622 1 44 VAL MG1 1 46 LYS H . . 3.440 2.624 2.207 2.983 . 0 0 "[ . 1 . 2]" 1
623 1 44 VAL HA 1 44 VAL MG1 . . 3.390 2.383 2.257 2.535 . 0 0 "[ . 1 . 2]" 1
624 1 44 VAL MG1 1 53 TYR HB2 . . 4.050 2.984 2.564 3.740 . 0 0 "[ . 1 . 2]" 1
625 1 18 GLU QG 1 44 VAL MG1 . . 4.090 2.852 2.206 3.608 . 0 0 "[ . 1 . 2]" 1
626 1 44 VAL MG1 1 53 TYR HB3 . . 4.050 2.063 1.834 2.395 . 0 0 "[ . 1 . 2]" 1
627 1 44 VAL MG1 1 53 TYR HA . . 4.340 3.862 3.416 4.277 . 0 0 "[ . 1 . 2]" 1
628 1 55 GLY H 1 61 THR MG . . 4.570 3.405 2.947 3.839 . 0 0 "[ . 1 . 2]" 1
629 1 61 THR MG 1 62 GLY H . . 3.530 2.110 1.922 2.556 . 0 0 "[ . 1 . 2]" 1
630 1 61 THR H 1 61 THR MG . . 4.120 3.857 3.833 3.885 . 0 0 "[ . 1 . 2]" 1
631 1 61 THR MG 1 62 GLY HA2 . . 4.260 3.402 3.121 3.669 . 0 0 "[ . 1 . 2]" 1
632 1 54 GLU HG2 1 61 THR MG . . 3.910 2.524 2.173 2.953 . 0 0 "[ . 1 . 2]" 1
633 1 54 GLU HG3 1 61 THR MG . . 3.910 3.323 2.320 3.593 . 0 0 "[ . 1 . 2]" 1
634 1 56 VAL MG1 1 57 MET H . . 3.580 2.248 1.891 2.780 . 0 0 "[ . 1 . 2]" 1
635 1 56 VAL MG1 1 61 THR H . . 4.880 4.443 4.115 4.664 . 0 0 "[ . 1 . 2]" 1
636 1 56 VAL MG1 1 60 VAL H . . 4.170 3.910 3.574 4.123 . 0 0 "[ . 1 . 2]" 1
637 1 11 TRP HE3 1 56 VAL MG1 . . 3.400 2.133 1.915 2.473 . 0 0 "[ . 1 . 2]" 1
638 1 11 TRP HZ3 1 56 VAL MG1 . . 3.590 2.552 2.003 3.106 . 0 0 "[ . 1 . 2]" 1
639 1 56 VAL MG1 1 59 GLY H . . 3.570 2.650 2.435 3.102 . 0 0 "[ . 1 . 2]" 1
640 1 56 VAL HA 1 56 VAL MG1 . . 3.270 2.380 2.256 2.480 . 0 0 "[ . 1 . 2]" 1
641 1 56 VAL MG1 1 59 GLY HA3 . . 4.540 4.159 3.824 4.385 . 0 0 "[ . 1 . 2]" 1
642 1 12 ALA HA 1 56 VAL MG1 . . 3.850 3.194 2.844 3.556 . 0 0 "[ . 1 . 2]" 1
643 1 13 PRO HD3 1 56 VAL MG1 . . 3.560 2.843 2.717 2.985 . 0 0 "[ . 1 . 2]" 1
644 1 43 TYR HB2 1 56 VAL MG1 . . 4.930 4.827 4.423 4.932 0.002 10 0 "[ . 1 . 2]" 1
645 1 13 PRO HG3 1 56 VAL MG1 . . 4.460 4.313 4.139 4.460 . 0 0 "[ . 1 . 2]" 1
646 1 60 VAL H 1 60 VAL MG1 . . 4.260 3.767 3.736 3.778 . 0 0 "[ . 1 . 2]" 1
647 1 60 VAL HA 1 60 VAL MG1 . . 3.320 2.384 2.293 2.462 . 0 0 "[ . 1 . 2]" 1
648 1 21 VAL MG2 1 22 ALA H . . 3.340 2.332 1.994 2.931 . 0 0 "[ . 1 . 2]" 1
649 1 21 VAL MG2 1 40 ALA H . . 4.800 3.043 2.652 4.239 . 0 0 "[ . 1 . 2]" 1
650 1 21 VAL MG2 1 39 GLY HA2 . . 3.380 2.989 2.535 3.159 . 0 0 "[ . 1 . 2]" 1
651 1 27 THR HA 1 27 THR MG . . 3.290 2.426 2.220 3.196 . 0 0 "[ . 1 . 2]" 1
652 1 56 VAL H 1 56 VAL MG2 . . 3.490 2.638 2.351 2.878 . 0 0 "[ . 1 . 2]" 1
653 1 56 VAL HA 1 56 VAL MG2 . . 3.390 2.356 2.229 2.476 . 0 0 "[ . 1 . 2]" 1
654 1 13 PRO HD3 1 56 VAL MG2 . . 3.850 2.868 2.565 3.096 . 0 0 "[ . 1 . 2]" 1
655 1 13 PRO HD2 1 56 VAL MG2 . . 4.510 4.241 3.855 4.510 . 0 0 "[ . 1 . 2]" 1
656 1 13 PRO HG3 1 56 VAL MG2 . . 3.460 2.772 2.113 3.183 . 0 0 "[ . 1 . 2]" 1
657 1 55 GLY HA3 1 56 VAL MG2 . . 4.810 4.435 4.202 4.593 . 0 0 "[ . 1 . 2]" 1
658 1 43 TYR HB2 1 56 VAL MG2 . . 4.390 4.061 3.601 4.379 . 0 0 "[ . 1 . 2]" 1
659 1 60 VAL MG2 1 61 THR H . . 4.270 4.009 3.872 4.140 . 0 0 "[ . 1 . 2]" 1
660 1 60 VAL HA 1 60 VAL MG2 . . 3.320 2.327 2.212 2.434 . 0 0 "[ . 1 . 2]" 1
661 1 21 VAL MG2 1 22 ALA MB . . 4.200 3.531 3.270 3.817 . 0 0 "[ . 1 . 2]" 1
662 1 22 ALA MB 1 23 ILE H . . 3.910 3.281 2.737 3.597 . 0 0 "[ . 1 . 2]" 1
663 1 22 ALA MB 1 39 GLY H . . 3.350 2.660 2.081 3.154 . 0 0 "[ . 1 . 2]" 1
664 1 22 ALA H 1 22 ALA MB . . 3.060 2.222 2.167 2.276 . 0 0 "[ . 1 . 2]" 1
665 1 22 ALA MB 1 36 PHE QE . . 3.440 2.592 2.075 3.222 . 0 0 "[ . 1 . 2]" 1
666 1 22 ALA MB 1 36 PHE QD . . 3.230 2.082 1.831 2.412 . 0 0 "[ . 1 . 2]" 1
667 1 21 VAL HA 1 22 ALA MB . . 4.260 3.987 3.951 4.014 . 0 0 "[ . 1 . 2]" 1
668 1 22 ALA MB 1 69 VAL HA . . 4.600 4.060 3.546 4.556 . 0 0 "[ . 1 . 2]" 1
669 1 22 ALA MB 1 23 ILE HA . . 4.910 4.307 4.043 4.505 . 0 0 "[ . 1 . 2]" 1
670 1 22 ALA MB 1 40 ALA HA . . 5.330 4.268 3.960 4.638 . 0 0 "[ . 1 . 2]" 1
671 1 22 ALA MB 1 38 GLU HA . . 3.300 2.947 2.547 3.300 . 0 0 "[ . 1 . 2]" 1
672 1 22 ALA MB 1 69 VAL MG1 . . 3.730 2.764 1.964 3.332 . 0 0 "[ . 1 . 2]" 1
673 1 11 TRP HE3 1 12 ALA HA . . 3.510 2.517 2.181 3.118 . 0 0 "[ . 1 . 2]" 1
674 1 11 TRP HZ3 1 12 ALA HA . . 4.300 2.964 2.450 4.021 . 0 0 "[ . 1 . 2]" 1
675 1 12 ALA HA 1 13 PRO HD2 . . 3.260 2.304 2.241 2.434 . 0 0 "[ . 1 . 2]" 1
676 1 12 ALA HA 1 13 PRO HG2 . . 4.910 4.435 4.386 4.541 . 0 0 "[ . 1 . 2]" 1
677 1 12 ALA HA 1 13 PRO HG3 . . 5.270 4.419 4.388 4.493 . 0 0 "[ . 1 . 2]" 1
678 1 12 ALA HA 1 56 VAL HB . . 4.710 3.749 3.514 4.101 . 0 0 "[ . 1 . 2]" 1
679 1 37 GLN H 1 40 ALA MB . . 3.660 2.763 2.336 3.172 . 0 0 "[ . 1 . 2]" 1
680 1 40 ALA H 1 40 ALA MB . . 3.020 2.442 2.199 2.654 . 0 0 "[ . 1 . 2]" 1
681 1 40 ALA MB 1 41 ILE H . . 3.580 2.945 2.306 3.275 . 0 0 "[ . 1 . 2]" 1
682 1 36 PHE QD 1 40 ALA MB . . 4.110 3.410 2.909 3.814 . 0 0 "[ . 1 . 2]" 1
683 1 36 PHE HB2 1 40 ALA MB . . 3.740 2.264 2.035 2.594 . 0 0 "[ . 1 . 2]" 1
684 1 40 ALA MB 1 57 MET HG2 . . 4.320 3.856 3.088 4.273 . 0 0 "[ . 1 . 2]" 1
685 1 40 ALA MB 1 42 ILE HG12 . . 4.700 4.050 3.546 4.479 . 0 0 "[ . 1 . 2]" 1
686 1 40 ALA MB 1 42 ILE MD . . 3.800 3.187 2.867 3.527 . 0 0 "[ . 1 . 2]" 1
687 1 20 VAL MG2 1 42 ILE H . . 4.000 3.155 2.348 3.522 . 0 0 "[ . 1 . 2]" 1
688 1 20 VAL MG2 1 64 PHE QE . . 4.010 2.528 2.100 3.135 . 0 0 "[ . 1 . 2]" 1
689 1 20 VAL MG2 1 69 VAL HB . . 3.460 2.789 1.995 3.297 . 0 0 "[ . 1 . 2]" 1
690 1 20 VAL MG2 1 69 VAL MG1 . . 3.380 2.724 2.404 3.042 . 0 0 "[ . 1 . 2]" 1
691 1 9 PRO HA 1 10 PRO HD3 . . 3.300 2.350 2.299 2.381 . 0 0 "[ . 1 . 2]" 1
692 1 9 PRO HB2 1 10 PRO HD3 . . 4.270 3.582 3.462 3.798 . 0 0 "[ . 1 . 2]" 1
693 1 9 PRO HA 1 10 PRO HD2 . . 3.300 2.499 2.381 2.562 . 0 0 "[ . 1 . 2]" 1
694 1 22 ALA H 1 40 ALA MB . . 4.340 3.516 3.251 3.963 . 0 0 "[ . 1 . 2]" 1
695 1 40 ALA MB 1 41 ILE HB . . 5.500 4.938 4.663 5.134 . 0 0 "[ . 1 . 2]" 1
696 1 20 VAL MG2 1 44 VAL HB . . 4.680 4.145 3.866 4.360 . 0 0 "[ . 1 . 2]" 1
697 1 20 VAL HA 1 21 VAL MG1 . . 4.680 3.787 3.434 4.014 . 0 0 "[ . 1 . 2]" 1
698 1 21 VAL MG1 1 39 GLY HA2 . . 5.250 5.056 4.789 5.245 . 0 0 "[ . 1 . 2]" 1
699 1 21 VAL MG1 1 70 GLU QG . . 4.270 3.905 1.679 4.267 . 0 0 "[ . 1 . 2]" 1
700 1 21 VAL MG1 1 70 GLU QB . . 3.530 2.692 2.117 3.531 0.001 19 0 "[ . 1 . 2]" 1
701 1 21 VAL MG1 1 71 SER HA . . 4.630 4.544 4.278 4.631 0.001 9 0 "[ . 1 . 2]" 1
702 1 9 PRO HD3 1 43 TYR QE . . 4.790 4.451 3.541 4.787 . 0 0 "[ . 1 . 2]" 1
703 1 8 ASP HB3 1 9 PRO HD2 . . 4.850 2.547 2.006 3.297 . 0 0 "[ . 1 . 2]" 1
704 1 74 GLY HA3 1 75 PRO HD2 . . 3.430 2.183 1.999 2.520 . 0 0 "[ . 1 . 2]" 1
705 1 74 GLY HA2 1 75 PRO HD2 . . 3.430 2.897 2.504 3.138 . 0 0 "[ . 1 . 2]" 1
706 1 8 ASP HB2 1 9 PRO HD3 . . 4.850 4.229 3.478 4.848 . 0 0 "[ . 1 . 2]" 1
707 1 74 GLY HA3 1 75 PRO HD3 . . 3.430 3.024 2.783 3.404 . 0 0 "[ . 1 . 2]" 1
708 1 74 GLY HA2 1 75 PRO HD3 . . 3.430 2.638 2.345 2.849 . 0 0 "[ . 1 . 2]" 1
709 1 11 TRP HE3 1 13 PRO HD3 . . 4.670 3.711 3.343 4.067 . 0 0 "[ . 1 . 2]" 1
710 1 11 TRP HZ3 1 13 PRO HD3 . . 4.700 3.483 2.921 4.362 . 0 0 "[ . 1 . 2]" 1
711 1 12 ALA MB 1 13 PRO HD3 . . 3.950 3.406 3.245 3.497 . 0 0 "[ . 1 . 2]" 1
712 1 64 PHE HB2 1 65 PRO HD2 . . 3.690 2.105 2.000 2.281 . 0 0 "[ . 1 . 2]" 1
713 1 64 PHE HB3 1 65 PRO HD3 . . 4.560 4.330 4.141 4.478 . 0 0 "[ . 1 . 2]" 1
714 1 64 PHE HB2 1 65 PRO HD3 . . 3.690 3.539 3.441 3.691 0.001 18 0 "[ . 1 . 2]" 1
715 1 52 TRP HE3 1 65 PRO HD3 . . 4.860 3.581 3.165 3.856 . 0 0 "[ . 1 . 2]" 1
716 1 13 PRO HD3 1 43 TYR HB2 . . 4.410 3.553 3.309 3.985 . 0 0 "[ . 1 . 2]" 1
717 1 13 PRO HD3 1 56 VAL HB . . 3.800 2.228 2.008 2.544 . 0 0 "[ . 1 . 2]" 1
718 1 13 PRO HD2 1 43 TYR QD . . 4.360 2.497 1.999 3.302 . 0 0 "[ . 1 . 2]" 1
719 1 13 PRO HD2 1 43 TYR HB2 . . 4.170 3.148 2.863 3.699 . 0 0 "[ . 1 . 2]" 1
720 1 13 PRO HD2 1 43 TYR HB3 . . 4.430 3.821 3.476 4.225 . 0 0 "[ . 1 . 2]" 1
721 1 13 PRO HD2 1 56 VAL HB . . 4.600 3.528 3.301 3.725 . 0 0 "[ . 1 . 2]" 1
722 1 13 PRO HD2 1 56 VAL MG1 . . 4.180 4.128 3.977 4.180 . 0 0 "[ . 1 . 2]" 1
723 1 11 TRP HE3 1 13 PRO HD2 . . 4.890 4.487 4.144 4.886 . 0 0 "[ . 1 . 2]" 1
724 1 23 ILE MG 1 24 TYR H . . 4.770 4.147 3.979 4.283 . 0 0 "[ . 1 . 2]" 1
725 1 23 ILE MG 1 69 VAL HA . . 4.170 3.527 3.000 4.157 . 0 0 "[ . 1 . 2]" 1
726 1 23 ILE MG 1 70 GLU QG . . 3.670 2.724 1.953 3.538 . 0 0 "[ . 1 . 2]" 1
727 1 23 ILE MG 1 70 GLU QB . . 3.430 2.244 1.968 2.755 . 0 0 "[ . 1 . 2]" 1
728 1 23 ILE MG 1 70 GLU H . . 3.950 3.294 2.786 3.791 . 0 0 "[ . 1 . 2]" 1
729 1 42 ILE H 1 42 ILE MG . . 4.640 3.879 3.804 3.947 . 0 0 "[ . 1 . 2]" 1
730 1 42 ILE MG 1 64 PHE QE . . 3.260 2.209 1.774 2.450 . 0 0 "[ . 1 . 2]" 1
731 1 42 ILE MG 1 55 GLY HA2 . . 4.010 3.379 2.981 3.700 . 0 0 "[ . 1 . 2]" 1
732 1 42 ILE HA 1 42 ILE MG . . 3.350 2.361 2.229 2.445 . 0 0 "[ . 1 . 2]" 1
733 1 42 ILE MG 1 44 VAL HA . . 4.390 3.615 3.335 3.899 . 0 0 "[ . 1 . 2]" 1
734 1 42 ILE MG 1 55 GLY HA3 . . 3.470 2.108 1.868 2.381 . 0 0 "[ . 1 . 2]" 1
735 1 42 ILE MG 1 57 MET HB2 . . 3.920 3.164 2.719 3.785 . 0 0 "[ . 1 . 2]" 1
736 1 45 ILE H 1 45 ILE MG . . 3.810 2.962 2.502 3.230 . 0 0 "[ . 1 . 2]" 1
737 1 17 LEU H 1 45 ILE MG . . 4.510 3.397 2.827 4.317 . 0 0 "[ . 1 . 2]" 1
738 1 16 TYR H 1 45 ILE MG . . 5.060 4.490 4.244 4.906 . 0 0 "[ . 1 . 2]" 1
739 1 45 ILE MG 1 46 LYS H . . 5.310 4.155 3.952 4.317 . 0 0 "[ . 1 . 2]" 1
740 1 45 ILE MG 1 55 GLY HA2 . . 4.360 3.383 2.711 3.876 . 0 0 "[ . 1 . 2]" 1
741 1 16 TYR HA 1 45 ILE MG . . 3.610 2.398 1.981 3.308 . 0 0 "[ . 1 . 2]" 1
742 1 44 VAL HA 1 45 ILE MG . . 4.580 4.044 3.868 4.255 . 0 0 "[ . 1 . 2]" 1
743 1 16 TYR QB 1 45 ILE MG . . 3.450 1.993 1.828 2.330 . 0 0 "[ . 1 . 2]" 1
744 1 13 PRO HB3 1 45 ILE MG . . 4.230 3.118 2.641 3.710 . 0 0 "[ . 1 . 2]" 1
745 1 16 TYR QD 1 45 ILE MG . . 4.910 3.703 3.468 4.072 . 0 0 "[ . 1 . 2]" 1
746 1 69 VAL MG2 1 70 GLU H . . 3.940 3.456 2.812 3.872 . 0 0 "[ . 1 . 2]" 1
747 1 69 VAL H 1 69 VAL MG2 . . 3.210 2.190 1.916 2.495 . 0 0 "[ . 1 . 2]" 1
748 1 66 GLY HA2 1 69 VAL MG2 . . 4.420 2.110 1.856 2.628 . 0 0 "[ . 1 . 2]" 1
749 1 20 VAL HB 1 69 VAL MG2 . . 3.440 2.945 2.275 3.431 . 0 0 "[ . 1 . 2]" 1
750 1 21 VAL H 1 72 ILE MG . . 4.620 3.362 2.477 3.984 . 0 0 "[ . 1 . 2]" 1
751 1 72 ILE MG 1 73 SER H . . 4.540 4.041 3.882 4.317 . 0 0 "[ . 1 . 2]" 1
752 1 20 VAL HA 1 72 ILE MG . . 4.630 3.814 2.837 4.416 . 0 0 "[ . 1 . 2]" 1
753 1 72 ILE HA 1 72 ILE MG . . 3.350 2.318 2.198 2.438 . 0 0 "[ . 1 . 2]" 1
754 1 71 SER QB 1 72 ILE MG . . 5.080 4.872 4.529 5.081 0.001 12 0 "[ . 1 . 2]" 1
755 1 19 LYS QD 1 72 ILE MG . . 4.980 4.766 4.138 4.982 0.002 20 0 "[ . 1 . 2]" 1
756 1 20 VAL H 1 41 ILE MG . . 4.370 3.919 2.755 4.363 . 0 0 "[ . 1 . 2]" 1
757 1 41 ILE MG 1 43 TYR QE . . 3.900 3.295 2.933 3.693 . 0 0 "[ . 1 . 2]" 1
758 1 19 LYS HE2 1 41 ILE MG . . 4.350 3.185 1.920 4.333 . 0 0 "[ . 1 . 2]" 1
759 1 11 TRP HH2 1 41 ILE MG . . 4.470 4.128 3.500 4.471 0.001 15 0 "[ . 1 . 2]" 1
760 1 41 ILE MG 1 42 ILE HA . . 4.490 3.631 3.285 3.933 . 0 0 "[ . 1 . 2]" 1
761 1 41 ILE HG12 1 41 ILE MG . . 3.490 2.979 2.095 3.199 . 0 0 "[ . 1 . 2]" 1
762 1 41 ILE HG13 1 41 ILE MG . . 3.490 2.415 2.242 2.604 . 0 0 "[ . 1 . 2]" 1
763 1 37 GLN H 1 57 MET ME . . 4.620 3.784 3.146 4.365 . 0 0 "[ . 1 . 2]" 1
764 1 35 SER H 1 57 MET ME . . 4.790 4.328 3.684 4.755 . 0 0 "[ . 1 . 2]" 1
765 1 36 PHE QD 1 57 MET ME . . 4.100 3.779 3.290 4.071 . 0 0 "[ . 1 . 2]" 1
766 1 36 PHE HB3 1 57 MET ME . . 3.780 2.437 2.039 2.860 . 0 0 "[ . 1 . 2]" 1
767 1 36 PHE HB2 1 57 MET ME . . 3.780 3.322 2.722 3.710 . 0 0 "[ . 1 . 2]" 1
768 1 34 LEU MD2 1 57 MET ME . . 3.230 2.428 1.944 2.993 . 0 0 "[ . 1 . 2]" 1
769 1 42 ILE HG12 1 57 MET ME . . 4.880 4.369 4.009 4.868 . 0 0 "[ . 1 . 2]" 1
770 1 45 ILE H 1 55 GLY HA2 . . 3.860 2.798 2.203 3.204 . 0 0 "[ . 1 . 2]" 1
771 1 45 ILE HG13 1 55 GLY HA2 . . 4.550 3.663 3.128 4.209 . 0 0 "[ . 1 . 2]" 1
772 1 55 GLY HA2 1 64 PHE QE . . 4.150 3.623 3.411 4.065 . 0 0 "[ . 1 . 2]" 1
773 1 45 ILE HG12 1 55 GLY HA2 . . 4.550 2.249 2.032 2.715 . 0 0 "[ . 1 . 2]" 1
774 1 55 GLY HA2 1 56 VAL MG2 . . 4.150 3.453 3.247 3.670 . 0 0 "[ . 1 . 2]" 1
775 1 16 TYR QD 1 18 GLU H . . 3.430 2.759 2.352 3.000 . 0 0 "[ . 1 . 2]" 1
776 1 16 TYR QD 1 17 LEU HA . . 4.590 4.267 3.788 4.546 . 0 0 "[ . 1 . 2]" 1
777 1 13 PRO HB2 1 16 TYR QD . . 4.160 3.549 3.213 3.873 . 0 0 "[ . 1 . 2]" 1
778 1 16 TYR QD 1 43 TYR QD . . 4.130 3.489 3.210 4.120 . 0 0 "[ . 1 . 2]" 1
779 1 16 TYR HA 1 16 TYR QD . . 4.420 3.724 3.700 3.738 . 0 0 "[ . 1 . 2]" 1
780 1 16 TYR QD 1 18 GLU HA . . 4.020 2.861 2.589 3.105 . 0 0 "[ . 1 . 2]" 1
781 1 13 PRO HG2 1 16 TYR QD . . 3.710 2.306 2.014 2.729 . 0 0 "[ . 1 . 2]" 1
782 1 34 LEU HB3 1 64 PHE QD . . 4.530 3.315 2.732 3.813 . 0 0 "[ . 1 . 2]" 1
783 1 36 PHE HZ 1 64 PHE QD . . 4.360 3.398 2.890 4.011 . 0 0 "[ . 1 . 2]" 1
784 1 64 PHE QD 1 69 VAL MG1 . . 4.240 2.634 2.222 3.306 . 0 0 "[ . 1 . 2]" 1
785 1 24 TYR H 1 24 TYR QD . . 4.480 3.628 3.359 3.844 . 0 0 "[ . 1 . 2]" 1
786 1 24 TYR HA 1 24 TYR QD . . 3.650 2.314 2.091 2.567 . 0 0 "[ . 1 . 2]" 1
787 1 24 TYR QD 1 68 TYR HA . . 3.460 2.503 2.088 2.746 . 0 0 "[ . 1 . 2]" 1
788 1 23 ILE MD 1 24 TYR QD . . 4.150 2.819 2.237 3.145 . 0 0 "[ . 1 . 2]" 1
789 1 26 TYR QD 1 36 PHE QE . . 5.020 3.321 2.518 4.071 . 0 0 "[ . 1 . 2]" 1
790 1 26 TYR QD 1 68 TYR QE . . 5.180 3.133 2.518 3.659 . 0 0 "[ . 1 . 2]" 1
791 1 26 TYR QD 1 35 SER HA . . 4.740 3.275 2.329 4.164 . 0 0 "[ . 1 . 2]" 1
792 1 34 LEU HB3 1 36 PHE QD . . 3.940 3.003 2.800 3.106 . 0 0 "[ . 1 . 2]" 1
793 1 34 LEU HG 1 36 PHE QD . . 4.860 4.782 4.542 4.858 . 0 0 "[ . 1 . 2]" 1
794 1 34 LEU MD2 1 36 PHE QD . . 3.940 2.036 1.887 2.311 . 0 0 "[ . 1 . 2]" 1
795 1 11 TRP HH2 1 43 TYR QD . . 4.190 3.407 2.747 4.178 . 0 0 "[ . 1 . 2]" 1
796 1 43 TYR HA 1 43 TYR QD . . 4.090 2.584 2.016 3.009 . 0 0 "[ . 1 . 2]" 1
797 1 13 PRO HG2 1 43 TYR QD . . 4.780 3.770 3.455 4.107 . 0 0 "[ . 1 . 2]" 1
798 1 13 PRO HG3 1 43 TYR QD . . 5.240 3.833 3.316 4.203 . 0 0 "[ . 1 . 2]" 1
799 1 12 ALA MB 1 43 TYR QD . . 4.640 3.123 2.156 3.798 . 0 0 "[ . 1 . 2]" 1
800 1 47 LYS HA 1 53 TYR QD . . 3.800 2.063 1.995 2.355 . 0 0 "[ . 1 . 2]" 1
801 1 34 LEU MD1 1 64 PHE QE . . 4.470 3.783 2.911 4.465 . 0 0 "[ . 1 . 2]" 1
802 1 10 PRO QG 1 11 TRP HD1 . . 4.420 3.180 2.420 3.712 . 0 0 "[ . 1 . 2]" 1
803 1 20 VAL MG2 1 64 PHE HZ . . 4.370 2.577 2.104 3.166 . 0 0 "[ . 1 . 2]" 1
804 1 53 TYR HB3 1 64 PHE HZ . . 4.780 4.209 3.464 4.781 0.001 20 0 "[ . 1 . 2]" 1
805 1 42 ILE HB 1 64 PHE HZ . . 4.700 3.652 2.702 4.279 . 0 0 "[ . 1 . 2]" 1
806 1 64 PHE HZ 1 69 VAL MG2 . . 5.100 4.074 3.594 4.467 . 0 0 "[ . 1 . 2]" 1
807 1 42 ILE MG 1 64 PHE HZ . . 4.050 2.592 2.037 3.170 . 0 0 "[ . 1 . 2]" 1
808 1 36 PHE HZ 1 68 TYR HB3 . . 3.950 3.568 3.096 3.943 . 0 0 "[ . 1 . 2]" 1
809 1 22 ALA MB 1 36 PHE HZ . . 4.890 4.215 3.701 4.692 . 0 0 "[ . 1 . 2]" 1
810 1 26 TYR HB3 1 36 PHE HZ . . 4.670 3.243 2.646 4.208 . 0 0 "[ . 1 . 2]" 1
811 1 36 PHE HZ 1 68 TYR HB2 . . 3.950 3.055 2.462 3.675 . 0 0 "[ . 1 . 2]" 1
812 1 36 PHE HZ 1 69 VAL MG1 . . 4.050 2.976 2.106 3.446 . 0 0 "[ . 1 . 2]" 1
813 1 51 GLY H 1 52 TRP HD1 . . 3.870 3.269 2.588 3.884 0.014 16 0 "[ . 1 . 2]" 1
814 1 52 TRP HH2 1 65 PRO HG3 . . 4.630 3.942 3.513 4.630 0.000 7 0 "[ . 1 . 2]" 1
815 1 11 TRP HH2 1 43 TYR QE . . 3.890 2.720 2.220 3.605 . 0 0 "[ . 1 . 2]" 1
816 1 11 TRP HH2 1 57 MET HA . . 4.170 3.296 2.869 3.721 . 0 0 "[ . 1 . 2]" 1
817 1 11 TRP HZ3 1 43 TYR QD . . 3.790 2.740 2.329 3.388 . 0 0 "[ . 1 . 2]" 1
818 1 11 TRP HZ3 1 57 MET HA . . 4.350 3.035 2.481 3.778 . 0 0 "[ . 1 . 2]" 1
819 1 11 TRP HZ3 1 56 VAL HB . . 4.440 3.036 2.444 3.788 . 0 0 "[ . 1 . 2]" 1
820 1 61 THR HA 1 62 GLY H . . 3.010 2.245 2.167 2.313 . 0 0 "[ . 1 . 2]" 1
821 1 56 VAL HA 1 61 THR HA . . 3.170 2.424 2.136 2.565 . 0 0 "[ . 1 . 2]" 1
822 1 61 THR HA 1 61 THR MG . . 3.280 2.287 2.183 2.383 . 0 0 "[ . 1 . 2]" 1
823 1 56 VAL MG1 1 61 THR HA . . 4.350 3.682 3.377 3.974 . 0 0 "[ . 1 . 2]" 1
824 1 34 LEU MD1 1 61 THR HA . . 4.000 2.344 1.992 2.984 . 0 0 "[ . 1 . 2]" 1
825 1 34 LEU MD1 1 56 VAL HA . . 4.380 3.105 2.717 3.334 . 0 0 "[ . 1 . 2]" 1
826 1 11 TRP HE3 1 59 GLY H . . 4.390 2.833 2.333 3.484 . 0 0 "[ . 1 . 2]" 1
827 1 23 ILE H 1 69 VAL HA . . 3.380 2.523 2.082 3.060 . 0 0 "[ . 1 . 2]" 1
828 1 22 ALA HA 1 69 VAL HA . . 3.180 2.472 2.003 3.001 . 0 0 "[ . 1 . 2]" 1
829 1 69 VAL HA 1 70 GLU H . . 3.090 2.397 2.189 2.588 . 0 0 "[ . 1 . 2]" 1
830 1 20 VAL HB 1 69 VAL HA . . 5.030 4.521 4.016 4.956 . 0 0 "[ . 1 . 2]" 1
831 1 20 VAL MG2 1 69 VAL HA . . 5.340 4.790 4.161 5.238 . 0 0 "[ . 1 . 2]" 1
832 1 20 VAL HA 1 69 VAL HB . . 4.800 4.605 4.371 4.799 . 0 0 "[ . 1 . 2]" 1
833 1 20 VAL HA 1 72 ILE HG12 . . 4.530 3.269 2.676 4.483 . 0 0 "[ . 1 . 2]" 1
834 1 52 TRP HE3 1 63 LEU QB . . 3.420 2.611 2.120 3.040 . 0 0 "[ . 1 . 2]" 1
835 1 16 TYR QE 1 18 GLU H . . 4.860 4.648 4.022 4.846 . 0 0 "[ . 1 . 2]" 1
836 1 16 TYR QE 1 18 GLU HA . . 4.230 3.049 2.190 3.543 . 0 0 "[ . 1 . 2]" 1
837 1 26 TYR HA 1 68 TYR QE . . 4.550 3.762 2.575 4.414 . 0 0 "[ . 1 . 2]" 1
838 1 24 TYR HB3 1 68 TYR QE . . 4.350 3.858 3.393 4.352 0.002 20 0 "[ . 1 . 2]" 1
839 1 24 TYR HB2 1 68 TYR QE . . 4.350 4.070 3.759 4.290 . 0 0 "[ . 1 . 2]" 1
840 1 26 TYR HB2 1 68 TYR QE . . 4.490 3.654 2.666 4.293 . 0 0 "[ . 1 . 2]" 1
841 1 65 PRO HG2 1 68 TYR QE . . 4.410 3.934 2.356 4.298 . 0 0 "[ . 1 . 2]" 1
842 1 44 VAL MG2 1 53 TYR QE . . 4.500 4.326 3.934 4.497 . 0 0 "[ . 1 . 2]" 1
843 1 53 TYR QE 1 69 VAL MG2 . . 3.760 3.496 3.164 3.759 . 0 0 "[ . 1 . 2]" 1
844 1 20 VAL MG1 1 53 TYR QE . . 4.230 4.056 3.484 4.229 . 0 0 "[ . 1 . 2]" 1
845 1 21 VAL HA 1 22 ALA H . . 2.880 2.190 2.140 2.279 . 0 0 "[ . 1 . 2]" 1
846 1 21 VAL HA 1 21 VAL MG2 . . 3.220 2.318 2.190 2.447 . 0 0 "[ . 1 . 2]" 1
847 1 20 VAL MG2 1 21 VAL HA . . 4.250 3.858 3.647 4.090 . 0 0 "[ . 1 . 2]" 1
848 1 53 TYR HA 1 53 TYR QE . . 4.970 4.605 4.346 4.796 . 0 0 "[ . 1 . 2]" 1
849 1 47 LYS HA 1 53 TYR QE . . 4.680 3.877 2.874 4.450 . 0 0 "[ . 1 . 2]" 1
850 1 53 TYR QE 1 66 GLY HA2 . . 4.560 3.063 2.641 3.902 . 0 0 "[ . 1 . 2]" 1
851 1 53 TYR QE 1 66 GLY HA3 . . 4.560 2.580 2.002 3.579 . 0 0 "[ . 1 . 2]" 1
852 1 24 TYR QE 1 68 TYR HA . . 4.610 4.357 3.813 4.593 . 0 0 "[ . 1 . 2]" 1
853 1 23 ILE MD 1 24 TYR QE . . 3.640 2.266 1.972 2.959 . 0 0 "[ . 1 . 2]" 1
854 1 11 TRP HZ3 1 43 TYR QE . . 4.390 3.427 2.589 4.392 0.002 2 0 "[ . 1 . 2]" 1
855 1 9 PRO HD2 1 43 TYR QE . . 4.790 3.402 2.507 3.908 . 0 0 "[ . 1 . 2]" 1
856 1 19 LYS HE2 1 43 TYR QE . . 4.850 3.538 2.037 4.848 . 0 0 "[ . 1 . 2]" 1
857 1 26 TYR QE 1 29 ASP H . . 4.750 4.249 3.417 4.709 . 0 0 "[ . 1 . 2]" 1
858 1 26 TYR QE 1 65 PRO HG2 . . 4.600 4.236 3.287 4.574 . 0 0 "[ . 1 . 2]" 1
859 1 9 PRO HG3 1 11 TRP HZ2 . . 4.540 2.515 2.166 3.361 . 0 0 "[ . 1 . 2]" 1
860 1 9 PRO HG2 1 11 TRP HZ2 . . 4.540 3.536 3.151 4.325 . 0 0 "[ . 1 . 2]" 1
861 1 33 GLU HA 1 62 GLY HA3 . . 4.600 3.494 2.698 3.886 . 0 0 "[ . 1 . 2]" 1
862 1 33 GLU HA 1 34 LEU HA . . 5.030 4.444 4.390 4.479 . 0 0 "[ . 1 . 2]" 1
863 1 33 GLU HA 1 62 GLY HA2 . . 5.250 3.946 3.088 4.443 . 0 0 "[ . 1 . 2]" 1
864 1 33 GLU HA 1 63 LEU QB . . 3.570 2.902 2.563 3.397 . 0 0 "[ . 1 . 2]" 1
865 1 54 GLU HA 1 54 GLU HG2 . . 3.990 2.808 2.253 3.741 . 0 0 "[ . 1 . 2]" 1
866 1 54 GLU HA 1 54 GLU HG3 . . 3.990 2.543 2.174 3.493 . 0 0 "[ . 1 . 2]" 1
867 1 63 LEU HA 1 64 PHE QD . . 4.530 3.434 2.770 4.069 . 0 0 "[ . 1 . 2]" 1
868 1 54 GLU HA 1 63 LEU HA . . 3.220 2.463 2.012 3.037 . 0 0 "[ . 1 . 2]" 1
869 1 54 GLU HG2 1 63 LEU HA . . 5.420 4.376 3.317 5.419 . 0 0 "[ . 1 . 2]" 1
870 1 54 GLU HG3 1 63 LEU HA . . 5.420 3.388 2.797 4.552 . 0 0 "[ . 1 . 2]" 1
871 1 47 LYS HA 1 53 TYR HA . . 3.490 2.516 2.080 3.321 . 0 0 "[ . 1 . 2]" 1
872 1 53 TYR HA 1 53 TYR QD . . 3.460 2.336 2.025 2.658 . 0 0 "[ . 1 . 2]" 1
873 1 52 TRP HA 1 52 TRP HD1 . . 4.790 4.070 3.781 4.262 . 0 0 "[ . 1 . 2]" 1
874 1 11 TRP HA 1 12 ALA MB . . 5.490 4.944 4.705 5.006 . 0 0 "[ . 1 . 2]" 1
875 1 12 ALA MB 1 13 PRO HA . . 5.500 4.440 4.384 4.492 . 0 0 "[ . 1 . 2]" 1
876 1 13 PRO HB3 1 16 TYR QD . . 4.950 4.867 4.609 4.950 0.000 19 0 "[ . 1 . 2]" 1
877 1 11 TRP HZ3 1 13 PRO HD2 . . 5.040 3.784 3.176 4.938 . 0 0 "[ . 1 . 2]" 1
878 1 15 SER HB3 1 16 TYR H . . 4.690 3.699 2.294 4.408 . 0 0 "[ . 1 . 2]" 1
879 1 18 GLU QG 1 44 VAL HB . . 3.600 2.345 1.889 3.010 . 0 0 "[ . 1 . 2]" 1
880 1 19 LYS HB3 1 20 VAL H . . 4.900 3.956 3.479 4.325 . 0 0 "[ . 1 . 2]" 1
881 1 21 VAL HA 1 22 ALA HA . . 4.770 4.355 4.335 4.398 . 0 0 "[ . 1 . 2]" 1
882 1 20 VAL MG1 1 44 VAL MG2 . . 3.050 2.001 1.781 2.244 . 0 0 "[ . 1 . 2]" 1
883 1 42 ILE MG 1 43 TYR H . . 3.430 2.324 1.967 2.774 . 0 0 "[ . 1 . 2]" 1
884 1 23 ILE H 1 23 ILE MG . . 3.750 2.708 2.312 3.320 . 0 0 "[ . 1 . 2]" 1
885 1 23 ILE MD 1 70 GLU H . . 4.820 4.323 3.803 4.780 . 0 0 "[ . 1 . 2]" 1
886 1 33 GLU HA 1 34 LEU HB2 . . 4.810 4.044 4.010 4.096 . 0 0 "[ . 1 . 2]" 1
887 1 30 LYS QG 1 33 GLU HG2 . . 5.270 4.377 2.175 5.258 . 0 0 "[ . 1 . 2]" 1
888 1 33 GLU HG3 1 52 TRP HZ3 . . 5.020 3.798 2.554 4.970 . 0 0 "[ . 1 . 2]" 1
889 1 28 LYS H 1 35 SER HB2 . . 4.860 2.950 1.920 4.007 . 0 0 "[ . 1 . 2]" 1
890 1 37 GLN HG2 1 38 GLU H . . 4.880 4.368 3.650 4.872 . 0 0 "[ . 1 . 2]" 1
891 1 38 GLU HA 1 39 GLY HA3 . . 4.780 4.405 4.383 4.529 . 0 0 "[ . 1 . 2]" 1
892 1 38 GLU HG3 1 39 GLY H . . 4.110 3.746 2.891 4.106 . 0 0 "[ . 1 . 2]" 1
893 1 22 ALA MB 1 39 GLY HA3 . . 5.090 4.882 4.523 5.086 . 0 0 "[ . 1 . 2]" 1
894 1 22 ALA MB 1 39 GLY HA2 . . 4.880 4.314 4.079 4.520 . 0 0 "[ . 1 . 2]" 1
895 1 42 ILE H 1 42 ILE HG12 . . 4.950 4.177 3.827 4.393 . 0 0 "[ . 1 . 2]" 1
896 1 42 ILE MG 1 44 VAL MG2 . . 3.630 3.159 2.764 3.624 . 0 0 "[ . 1 . 2]" 1
897 1 42 ILE HG12 1 42 ILE MG . . 3.480 2.226 2.056 2.328 . 0 0 "[ . 1 . 2]" 1
898 1 43 TYR HB3 1 44 VAL H . . 4.850 3.709 3.374 3.990 . 0 0 "[ . 1 . 2]" 1
899 1 43 TYR HB3 1 56 VAL H . . 4.990 4.468 4.088 4.728 . 0 0 "[ . 1 . 2]" 1
900 1 13 PRO HD3 1 43 TYR HB3 . . 4.950 4.663 4.228 4.910 . 0 0 "[ . 1 . 2]" 1
901 1 44 VAL HA 1 56 VAL H . . 4.940 4.792 4.441 4.942 0.002 10 0 "[ . 1 . 2]" 1
902 1 44 VAL HA 1 64 PHE QE . . 5.470 3.829 3.380 4.265 . 0 0 "[ . 1 . 2]" 1
903 1 44 VAL HA 1 64 PHE HZ . . 5.500 3.494 3.101 3.850 . 0 0 "[ . 1 . 2]" 1
904 1 20 VAL MG2 1 44 VAL MG2 . . 3.100 2.002 1.824 2.260 . 0 0 "[ . 1 . 2]" 1
905 1 44 VAL MG2 1 64 PHE HZ . . 3.240 2.095 1.862 2.263 . 0 0 "[ . 1 . 2]" 1
906 1 44 VAL MG1 1 53 TYR QD . . 3.790 3.240 2.670 3.635 . 0 0 "[ . 1 . 2]" 1
907 1 13 PRO HG3 1 45 ILE MG . . 3.520 2.579 2.149 3.103 . 0 0 "[ . 1 . 2]" 1
908 1 45 ILE MD 1 45 ILE MG . . 3.020 2.125 1.893 2.400 . 0 0 "[ . 1 . 2]" 1
909 1 45 ILE MD 1 46 LYS QB . . 4.180 3.544 3.012 4.085 . 0 0 "[ . 1 . 2]" 1
910 1 45 ILE MD 1 61 THR MG . . 3.060 2.715 2.287 3.029 . 0 0 "[ . 1 . 2]" 1
911 1 46 LYS QG 1 54 GLU HB3 . . 4.480 3.756 3.479 4.037 . 0 0 "[ . 1 . 2]" 1
912 1 47 LYS HB3 1 48 ASN H . . 4.740 3.456 2.476 4.219 . 0 0 "[ . 1 . 2]" 1
913 1 47 LYS QE 1 47 LYS HG3 . . 3.620 2.708 2.098 3.519 . 0 0 "[ . 1 . 2]" 1
914 1 53 TYR HB3 1 54 GLU H . . 4.330 2.891 2.590 3.144 . 0 0 "[ . 1 . 2]" 1
915 1 54 GLU HB3 1 55 GLY H . . 4.890 4.012 3.673 4.213 . 0 0 "[ . 1 . 2]" 1
916 1 46 LYS H 1 54 GLU HB2 . . 5.030 4.163 3.735 4.420 . 0 0 "[ . 1 . 2]" 1
917 1 54 GLU H 1 54 GLU HG2 . . 5.440 4.584 4.464 4.694 . 0 0 "[ . 1 . 2]" 1
918 1 54 GLU H 1 54 GLU HG3 . . 5.440 4.455 4.348 4.700 . 0 0 "[ . 1 . 2]" 1
919 1 54 GLU HG2 1 63 LEU MD2 . . 5.200 4.212 2.288 5.200 . 0 0 "[ . 1 . 2]" 1
920 1 34 LEU MD1 1 55 GLY HA3 . . 5.060 3.988 3.593 4.441 . 0 0 "[ . 1 . 2]" 1
921 1 45 ILE MD 1 55 GLY HA3 . . 5.500 4.813 4.401 5.293 . 0 0 "[ . 1 . 2]" 1
922 1 45 ILE MD 1 56 VAL MG2 . . 3.370 2.462 1.991 3.024 . 0 0 "[ . 1 . 2]" 1
923 1 43 TYR QD 1 56 VAL MG1 . . 4.760 4.200 3.841 4.592 . 0 0 "[ . 1 . 2]" 1
924 1 19 LYS HA 1 20 VAL MG2 . . 4.870 3.633 3.413 3.814 . 0 0 "[ . 1 . 2]" 1
925 1 42 ILE MG 1 57 MET HG3 . . 5.010 4.214 3.513 4.735 . 0 0 "[ . 1 . 2]" 1
926 1 42 ILE MG 1 57 MET HG2 . . 5.010 4.740 3.992 5.011 0.001 12 0 "[ . 1 . 2]" 1
927 1 40 ALA MB 1 57 MET ME . . 3.600 3.073 2.264 3.565 . 0 0 "[ . 1 . 2]" 1
928 1 57 MET HB2 1 57 MET ME . . 3.730 3.510 3.318 3.715 . 0 0 "[ . 1 . 2]" 1
929 1 56 VAL HB 1 61 THR HA . . 5.500 5.351 5.085 5.500 . 0 0 "[ . 1 . 2]" 1
930 1 60 VAL HB 1 61 THR HA . . 5.500 4.901 4.815 5.057 . 0 0 "[ . 1 . 2]" 1
931 1 65 PRO HG2 1 68 TYR QD . . 4.710 2.385 2.017 2.824 . 0 0 "[ . 1 . 2]" 1
932 1 52 TRP HE3 1 65 PRO HD2 . . 4.860 4.698 4.471 4.847 . 0 0 "[ . 1 . 2]" 1
933 1 64 PHE QE 1 69 VAL MG1 . . 3.260 2.691 1.957 3.226 . 0 0 "[ . 1 . 2]" 1
934 1 64 PHE QE 1 69 VAL MG2 . . 3.100 2.134 1.930 2.486 . 0 0 "[ . 1 . 2]" 1
935 1 20 VAL MG2 1 69 VAL MG2 . . 3.090 2.623 2.116 3.084 . 0 0 "[ . 1 . 2]" 1
936 1 20 VAL MG1 1 69 VAL MG2 . . 3.300 2.890 2.363 3.254 . 0 0 "[ . 1 . 2]" 1
937 1 55 GLY HA3 1 64 PHE QD . . 5.150 4.219 3.811 4.651 . 0 0 "[ . 1 . 2]" 1
938 1 64 PHE QD 1 69 VAL MG2 . . 4.980 2.883 2.247 3.644 . 0 0 "[ . 1 . 2]" 1
939 1 42 ILE MD 1 64 PHE QE . . 4.930 3.411 3.025 3.824 . 0 0 "[ . 1 . 2]" 1
940 1 53 TYR HB2 1 64 PHE HZ . . 4.780 3.060 2.408 3.627 . 0 0 "[ . 1 . 2]" 1
941 1 55 GLY HA3 1 64 PHE HZ . . 4.950 3.627 3.096 4.182 . 0 0 "[ . 1 . 2]" 1
942 1 36 PHE HZ 1 42 ILE MD . . 4.990 3.909 3.313 4.525 . 0 0 "[ . 1 . 2]" 1
943 1 11 TRP HE3 1 43 TYR QD . . 4.870 4.665 4.309 4.869 . 0 0 "[ . 1 . 2]" 1
944 1 11 TRP HE3 1 58 ASN HA . . 5.470 4.610 4.145 5.254 . 0 0 "[ . 1 . 2]" 1
945 1 11 TRP HZ2 1 58 ASN HA . . 5.120 4.562 3.755 5.085 . 0 0 "[ . 1 . 2]" 1
946 1 12 ALA MB 1 16 TYR QD . . 5.180 4.614 4.099 4.976 . 0 0 "[ . 1 . 2]" 1
947 1 13 PRO HG2 1 16 TYR QE . . 5.150 4.066 3.813 4.441 . 0 0 "[ . 1 . 2]" 1
948 1 16 TYR QE 1 18 GLU HB2 . . 5.500 5.042 4.279 5.395 . 0 0 "[ . 1 . 2]" 1
949 1 23 ILE HB 1 24 TYR QD . . 4.760 4.162 3.738 4.465 . 0 0 "[ . 1 . 2]" 1
950 1 24 TYR QD 1 25 ASP H . . 4.820 3.636 3.414 3.901 . 0 0 "[ . 1 . 2]" 1
951 1 23 ILE H 1 24 TYR QD . . 5.060 4.648 4.135 5.024 . 0 0 "[ . 1 . 2]" 1
952 1 23 ILE HB 1 24 TYR QE . . 4.750 4.121 3.821 4.547 . 0 0 "[ . 1 . 2]" 1
953 1 26 TYR QE 1 65 PRO HG3 . . 4.950 3.098 1.998 3.695 . 0 0 "[ . 1 . 2]" 1
954 1 13 PRO HG2 1 43 TYR QE . . 5.500 5.113 4.802 5.408 . 0 0 "[ . 1 . 2]" 1
955 1 41 ILE HB 1 43 TYR QE . . 5.500 4.886 4.096 5.443 . 0 0 "[ . 1 . 2]" 1
956 1 43 TYR H 1 43 TYR QE . . 4.910 4.692 4.373 4.902 . 0 0 "[ . 1 . 2]" 1
957 1 11 TRP HZ2 1 43 TYR QE . . 4.940 3.907 2.718 4.862 . 0 0 "[ . 1 . 2]" 1
958 1 48 ASN H 1 53 TYR QE . . 5.120 3.807 2.944 4.858 . 0 0 "[ . 1 . 2]" 1
959 1 36 PHE HA 1 57 MET ME . . 3.730 2.645 2.175 3.097 . 0 0 "[ . 1 . 2]" 1
960 1 42 ILE MD 1 57 MET HG2 . . 5.000 4.723 3.636 4.989 . 0 0 "[ . 1 . 2]" 1
961 1 8 ASP H 1 8 ASP QB . . 3.670 2.812 2.373 3.312 . 0 0 "[ . 1 . 2]" 1
962 1 8 ASP QB 1 9 PRO QD . . 3.200 2.159 1.980 2.412 . 0 0 "[ . 1 . 2]" 1
963 1 8 ASP QB 1 12 ALA MB . . 3.090 2.573 2.253 2.930 . 0 0 "[ . 1 . 2]" 1
964 1 9 PRO HA 1 10 PRO QD . . 2.830 2.153 2.082 2.192 . 0 0 "[ . 1 . 2]" 1
965 1 9 PRO QB 1 10 PRO QD . . 3.170 2.062 1.944 2.273 . 0 0 "[ . 1 . 2]" 1
966 1 9 PRO QB 1 11 TRP H . . 3.700 2.527 2.185 2.917 . 0 0 "[ . 1 . 2]" 1
967 1 9 PRO QB 1 11 TRP HD1 . . 4.180 2.627 2.199 3.191 . 0 0 "[ . 1 . 2]" 1
968 1 9 PRO QB 1 11 TRP HE1 . . 4.040 2.441 2.213 2.804 . 0 0 "[ . 1 . 2]" 1
969 1 9 PRO QB 1 12 ALA H . . 4.550 3.039 2.791 3.735 . 0 0 "[ . 1 . 2]" 1
970 1 9 PRO QB 1 12 ALA MB . . 4.540 3.476 3.237 3.858 . 0 0 "[ . 1 . 2]" 1
971 1 9 PRO QG 1 11 TRP HZ2 . . 3.930 2.458 2.139 3.211 . 0 0 "[ . 1 . 2]" 1
972 1 9 PRO QG 1 12 ALA H . . 4.180 2.559 2.036 3.135 . 0 0 "[ . 1 . 2]" 1
973 1 9 PRO QG 1 12 ALA MB . . 3.660 1.973 1.793 2.431 . 0 0 "[ . 1 . 2]" 1
974 1 9 PRO QG 1 43 TYR QE . . 4.740 3.269 2.570 3.627 . 0 0 "[ . 1 . 2]" 1
975 1 9 PRO QD 1 12 ALA MB . . 3.380 2.406 1.990 2.675 . 0 0 "[ . 1 . 2]" 1
976 1 9 PRO QD 1 43 TYR QE . . 4.070 3.292 2.484 3.743 . 0 0 "[ . 1 . 2]" 1
977 1 10 PRO QB 1 11 TRP H . . 3.900 3.187 2.865 3.729 . 0 0 "[ . 1 . 2]" 1
978 1 10 PRO QD 1 11 TRP H . . 4.040 2.655 2.602 2.961 . 0 0 "[ . 1 . 2]" 1
979 1 10 PRO QD 1 11 TRP HD1 . . 4.550 3.011 2.817 3.185 . 0 0 "[ . 1 . 2]" 1
980 1 11 TRP H 1 11 TRP QB . . 3.510 2.588 2.372 3.069 . 0 0 "[ . 1 . 2]" 1
981 1 11 TRP QB 1 11 TRP HD1 . . 3.340 2.550 2.524 2.590 . 0 0 "[ . 1 . 2]" 1
982 1 11 TRP QB 1 11 TRP HE3 . . 3.540 2.680 2.592 2.758 . 0 0 "[ . 1 . 2]" 1
983 1 11 TRP QB 1 58 ASN HA . . 5.180 4.116 3.312 4.784 . 0 0 "[ . 1 . 2]" 1
984 1 11 TRP HE3 1 59 GLY QA . . 4.680 3.550 3.063 4.216 . 0 0 "[ . 1 . 2]" 1
985 1 14 ARG H 1 14 ARG QB . . 3.150 2.360 2.121 2.657 . 0 0 "[ . 1 . 2]" 1
986 1 14 ARG H 1 14 ARG QG . . 3.790 2.643 1.888 3.792 0.002 6 0 "[ . 1 . 2]" 1
987 1 14 ARG HA 1 14 ARG QG . . 3.740 2.598 2.188 3.325 . 0 0 "[ . 1 . 2]" 1
988 1 14 ARG QB 1 15 SER H . . 4.060 2.731 2.284 3.823 . 0 0 "[ . 1 . 2]" 1
989 1 15 SER H 1 15 SER QB . . 3.670 2.657 2.401 3.202 . 0 0 "[ . 1 . 2]" 1
990 1 15 SER QB 1 16 TYR H . . 3.970 3.278 2.271 3.980 0.010 18 0 "[ . 1 . 2]" 1
991 1 16 TYR QD 1 17 LEU QB . . 4.940 4.253 3.822 4.567 . 0 0 "[ . 1 . 2]" 1
992 1 16 TYR QE 1 19 LYS QB . . 4.110 2.936 2.218 3.780 . 0 0 "[ . 1 . 2]" 1
993 1 16 TYR QE 1 19 LYS QG . . 4.710 4.422 4.065 4.680 . 0 0 "[ . 1 . 2]" 1
994 1 17 LEU H 1 17 LEU QB . . 3.240 2.314 2.156 2.579 . 0 0 "[ . 1 . 2]" 1
995 1 17 LEU H 1 17 LEU QD . . 3.910 3.089 1.881 3.371 . 0 0 "[ . 1 . 2]" 1
996 1 17 LEU HA 1 17 LEU QD . . 3.040 2.262 1.975 2.954 . 0 0 "[ . 1 . 2]" 1
997 1 17 LEU QB 1 18 GLU H . . 3.380 2.221 1.970 2.496 . 0 0 "[ . 1 . 2]" 1
998 1 17 LEU QB 1 18 GLU HB3 . . 4.390 3.544 3.445 3.799 . 0 0 "[ . 1 . 2]" 1
999 1 17 LEU QB 1 44 VAL HB . . 3.920 3.295 2.879 3.825 . 0 0 "[ . 1 . 2]" 1
1000 1 17 LEU QB 1 44 VAL MG1 . . 3.490 2.531 2.062 3.292 . 0 0 "[ . 1 . 2]" 1
1001 1 17 LEU QD 1 46 LYS H . . 4.670 3.590 3.182 4.214 . 0 0 "[ . 1 . 2]" 1
1002 1 17 LEU QD 1 46 LYS HA . . 3.270 2.799 2.365 3.267 . 0 0 "[ . 1 . 2]" 1
1003 1 17 LEU QD 1 46 LYS QB . . 5.160 4.322 4.024 4.657 . 0 0 "[ . 1 . 2]" 1
1004 1 17 LEU QD 1 47 LYS H . . 3.650 3.292 2.640 3.644 . 0 0 "[ . 1 . 2]" 1
1005 1 17 LEU QD 1 47 LYS QG . . 4.250 2.168 1.848 2.803 . 0 0 "[ . 1 . 2]" 1
1006 1 17 LEU QD 1 47 LYS QE . . 4.100 3.180 1.926 4.094 . 0 0 "[ . 1 . 2]" 1
1007 1 18 GLU HB2 1 19 LYS QB . . 5.040 4.385 4.219 4.781 . 0 0 "[ . 1 . 2]" 1
1008 1 19 LYS H 1 19 LYS QG . . 4.830 3.906 2.450 4.121 . 0 0 "[ . 1 . 2]" 1
1009 1 19 LYS HA 1 19 LYS QG . . 3.690 2.549 2.329 3.331 . 0 0 "[ . 1 . 2]" 1
1010 1 19 LYS QB 1 19 LYS QE . . 4.300 2.809 1.904 3.650 . 0 0 "[ . 1 . 2]" 1
1011 1 19 LYS QB 1 20 VAL H . . 4.150 3.482 2.381 3.809 . 0 0 "[ . 1 . 2]" 1
1012 1 19 LYS QB 1 73 SER QB . . 4.110 2.968 2.169 4.109 . 0 0 "[ . 1 . 2]" 1
1013 1 19 LYS QE 1 19 LYS QG . . 3.290 2.233 2.042 2.866 . 0 0 "[ . 1 . 2]" 1
1014 1 19 LYS QG 1 43 TYR QD . . 4.440 3.097 2.444 3.972 . 0 0 "[ . 1 . 2]" 1
1015 1 19 LYS QG 1 43 TYR QE . . 3.910 3.240 2.708 3.912 0.002 20 0 "[ . 1 . 2]" 1
1016 1 19 LYS QG 1 72 ILE MD . . 4.450 2.933 1.780 3.760 . 0 0 "[ . 1 . 2]" 1
1017 1 19 LYS QD 1 72 ILE QG . . 4.850 3.108 1.995 4.816 . 0 0 "[ . 1 . 2]" 1
1018 1 19 LYS QE 1 41 ILE MG . . 3.700 2.758 1.844 3.597 . 0 0 "[ . 1 . 2]" 1
1019 1 19 LYS QE 1 72 ILE MD . . 4.480 3.520 1.855 4.300 . 0 0 "[ . 1 . 2]" 1
1020 1 20 VAL HA 1 72 ILE QG . . 3.900 3.128 2.655 3.902 0.002 12 0 "[ . 1 . 2]" 1
1021 1 22 ALA HA 1 23 ILE QG . . 4.850 3.641 3.303 3.797 . 0 0 "[ . 1 . 2]" 1
1022 1 22 ALA MB 1 36 PHE QB . . 4.540 2.987 2.461 3.371 . 0 0 "[ . 1 . 2]" 1
1023 1 23 ILE H 1 23 ILE QG . . 3.290 1.968 1.871 2.117 . 0 0 "[ . 1 . 2]" 1
1024 1 23 ILE HA 1 38 GLU QG . . 3.650 2.815 2.130 3.437 . 0 0 "[ . 1 . 2]" 1
1025 1 23 ILE QG 1 24 TYR QD . . 4.010 2.454 2.008 2.832 . 0 0 "[ . 1 . 2]" 1
1026 1 23 ILE QG 1 24 TYR QE . . 4.460 3.351 3.023 3.922 . 0 0 "[ . 1 . 2]" 1
1027 1 23 ILE QG 1 68 TYR HA . . 4.490 3.331 2.706 3.805 . 0 0 "[ . 1 . 2]" 1
1028 1 23 ILE QG 1 69 VAL HA . . 3.890 2.616 2.203 3.062 . 0 0 "[ . 1 . 2]" 1
1029 1 23 ILE QG 1 70 GLU H . . 4.410 3.730 3.106 4.184 . 0 0 "[ . 1 . 2]" 1
1030 1 24 TYR H 1 24 TYR QB . . 3.510 2.658 2.457 2.803 . 0 0 "[ . 1 . 2]" 1
1031 1 24 TYR HA 1 38 GLU QB . . 4.040 2.709 2.291 2.994 . 0 0 "[ . 1 . 2]" 1
1032 1 24 TYR QB 1 25 ASP H . . 3.470 2.498 2.069 3.028 . 0 0 "[ . 1 . 2]" 1
1033 1 24 TYR QB 1 68 TYR QD . . 3.740 2.307 1.935 2.837 . 0 0 "[ . 1 . 2]" 1
1034 1 24 TYR QB 1 68 TYR QE . . 3.820 3.514 3.175 3.811 . 0 0 "[ . 1 . 2]" 1
1035 1 24 TYR QD 1 68 TYR QB . . 4.880 3.952 3.457 4.306 . 0 0 "[ . 1 . 2]" 1
1036 1 25 ASP H 1 25 ASP QB . . 3.320 2.676 2.311 2.952 . 0 0 "[ . 1 . 2]" 1
1037 1 25 ASP H 1 38 GLU QB . . 4.570 3.443 2.934 4.270 . 0 0 "[ . 1 . 2]" 1
1038 1 25 ASP QB 1 26 TYR H . . 3.680 3.315 2.466 3.671 . 0 0 "[ . 1 . 2]" 1
1039 1 25 ASP QB 1 37 GLN HA . . 4.260 2.801 1.981 3.888 . 0 0 "[ . 1 . 2]" 1
1040 1 26 TYR QD 1 65 PRO QD . . 4.410 3.279 2.297 3.772 . 0 0 "[ . 1 . 2]" 1
1041 1 26 TYR QE 1 33 GLU QB . . 3.670 3.014 2.498 3.400 . 0 0 "[ . 1 . 2]" 1
1042 1 26 TYR QE 1 33 GLU QG . . 4.920 3.754 2.712 4.621 . 0 0 "[ . 1 . 2]" 1
1043 1 26 TYR QE 1 65 PRO QD . . 4.830 2.851 2.172 3.264 . 0 0 "[ . 1 . 2]" 1
1044 1 27 THR HA 1 28 LYS QG . . 4.670 3.932 3.619 4.355 . 0 0 "[ . 1 . 2]" 1
1045 1 27 THR HA 1 35 SER QB . . 3.580 2.931 2.203 3.531 . 0 0 "[ . 1 . 2]" 1
1046 1 27 THR MG 1 35 SER QB . . 4.430 3.530 2.611 4.320 . 0 0 "[ . 1 . 2]" 1
1047 1 28 LYS H 1 28 LYS QG . . 3.310 2.306 1.900 2.879 . 0 0 "[ . 1 . 2]" 1
1048 1 28 LYS H 1 35 SER QB . . 4.090 2.289 1.905 3.324 . 0 0 "[ . 1 . 2]" 1
1049 1 28 LYS HA 1 29 ASP QB . . 4.240 4.034 3.911 4.082 . 0 0 "[ . 1 . 2]" 1
1050 1 28 LYS HB2 1 28 LYS QE . . 3.730 3.099 2.080 3.722 . 0 0 "[ . 1 . 2]" 1
1051 1 28 LYS HB2 1 33 GLU QB . . 3.380 2.076 1.817 2.892 . 0 0 "[ . 1 . 2]" 1
1052 1 28 LYS HB3 1 28 LYS QE . . 4.730 3.868 3.266 4.375 . 0 0 "[ . 1 . 2]" 1
1053 1 28 LYS HB3 1 33 GLU QB . . 3.730 2.837 2.139 3.471 . 0 0 "[ . 1 . 2]" 1
1054 1 28 LYS QD 1 31 GLU HA . . 4.190 3.717 3.102 4.182 . 0 0 "[ . 1 . 2]" 1
1055 1 28 LYS QE 1 31 GLU HA . . 3.470 2.647 2.160 3.385 . 0 0 "[ . 1 . 2]" 1
1056 1 28 LYS QE 1 33 GLU H . . 5.250 4.219 2.954 5.230 . 0 0 "[ . 1 . 2]" 1
1057 1 29 ASP H 1 29 ASP QB . . 3.320 2.362 2.238 2.596 . 0 0 "[ . 1 . 2]" 1
1058 1 29 ASP H 1 33 GLU QB . . 4.280 2.857 2.416 3.484 . 0 0 "[ . 1 . 2]" 1
1059 1 29 ASP QB 1 30 LYS H . . 3.370 2.684 2.187 3.298 . 0 0 "[ . 1 . 2]" 1
1060 1 29 ASP QB 1 30 LYS QG . . 4.460 2.851 2.336 3.379 . 0 0 "[ . 1 . 2]" 1
1061 1 30 LYS H 1 30 LYS QB . . 3.420 2.730 2.339 3.232 . 0 0 "[ . 1 . 2]" 1
1062 1 30 LYS H 1 33 GLU QB . . 3.860 2.666 2.144 3.429 . 0 0 "[ . 1 . 2]" 1
1063 1 30 LYS QB 1 30 LYS QD . . 3.370 2.196 2.040 2.713 . 0 0 "[ . 1 . 2]" 1
1064 1 30 LYS QB 1 31 GLU H . . 3.230 2.443 2.002 2.984 . 0 0 "[ . 1 . 2]" 1
1065 1 30 LYS QB 1 31 GLU QG . . 4.740 3.533 2.856 4.530 . 0 0 "[ . 1 . 2]" 1
1066 1 30 LYS QB 1 32 ASP H . . 3.800 2.560 2.273 3.093 . 0 0 "[ . 1 . 2]" 1
1067 1 30 LYS QG 1 33 GLU QG . . 4.560 3.582 1.833 4.489 . 0 0 "[ . 1 . 2]" 1
1068 1 32 ASP H 1 32 ASP QB . . 3.660 2.501 2.230 2.899 . 0 0 "[ . 1 . 2]" 1
1069 1 32 ASP QB 1 63 LEU QD . . 3.910 3.255 2.492 3.830 . 0 0 "[ . 1 . 2]" 1
1070 1 33 GLU H 1 33 GLU QB . . 3.180 2.424 2.164 2.782 . 0 0 "[ . 1 . 2]" 1
1071 1 33 GLU H 1 33 GLU QG . . 3.980 3.311 2.331 3.910 . 0 0 "[ . 1 . 2]" 1
1072 1 33 GLU HA 1 33 GLU QG . . 3.350 2.344 2.147 2.719 . 0 0 "[ . 1 . 2]" 1
1073 1 33 GLU QB 1 34 LEU H . . 3.360 2.211 1.907 2.635 . 0 0 "[ . 1 . 2]" 1
1074 1 33 GLU QG 1 34 LEU H . . 4.490 3.510 3.168 4.012 . 0 0 "[ . 1 . 2]" 1
1075 1 33 GLU QG 1 52 TRP HZ3 . . 4.240 2.959 2.269 4.184 . 0 0 "[ . 1 . 2]" 1
1076 1 33 GLU QG 1 63 LEU H . . 4.360 4.024 3.588 4.311 . 0 0 "[ . 1 . 2]" 1
1077 1 33 GLU QG 1 63 LEU QB . . 3.540 3.183 2.839 3.533 . 0 0 "[ . 1 . 2]" 1
1078 1 33 GLU QG 1 63 LEU QD . . 4.570 4.217 3.701 4.559 . 0 0 "[ . 1 . 2]" 1
1079 1 34 LEU MD1 1 57 MET QG . . 4.190 3.822 3.311 4.173 . 0 0 "[ . 1 . 2]" 1
1080 1 34 LEU MD2 1 35 SER QB . . 5.050 3.863 3.421 4.235 . 0 0 "[ . 1 . 2]" 1
1081 1 34 LEU MD2 1 57 MET QG . . 4.570 3.189 2.573 3.912 . 0 0 "[ . 1 . 2]" 1
1082 1 35 SER H 1 35 SER QB . . 3.330 2.687 2.234 3.112 . 0 0 "[ . 1 . 2]" 1
1083 1 35 SER QB 1 36 PHE H . . 3.630 3.195 2.650 3.608 . 0 0 "[ . 1 . 2]" 1
1084 1 36 PHE QB 1 37 GLN H . . 3.160 2.457 2.139 2.752 . 0 0 "[ . 1 . 2]" 1
1085 1 36 PHE QB 1 40 ALA MB . . 3.060 2.220 2.002 2.528 . 0 0 "[ . 1 . 2]" 1
1086 1 36 PHE QB 1 57 MET QG . . 4.750 3.360 2.647 4.223 . 0 0 "[ . 1 . 2]" 1
1087 1 36 PHE QB 1 57 MET ME . . 3.140 2.375 1.985 2.771 . 0 0 "[ . 1 . 2]" 1
1088 1 36 PHE QE 1 65 PRO QD . . 4.190 3.514 2.780 4.054 . 0 0 "[ . 1 . 2]" 1
1089 1 36 PHE QE 1 68 TYR QB . . 3.630 2.637 2.181 3.047 . 0 0 "[ . 1 . 2]" 1
1090 1 36 PHE HZ 1 65 PRO QD . . 4.610 3.054 2.547 3.681 . 0 0 "[ . 1 . 2]" 1
1091 1 37 GLN H 1 37 GLN QB . . 3.340 2.717 2.317 3.069 . 0 0 "[ . 1 . 2]" 1
1092 1 37 GLN H 1 37 GLN QG . . 3.770 2.588 1.896 3.619 . 0 0 "[ . 1 . 2]" 1
1093 1 37 GLN QB 1 38 GLU H . . 3.270 2.448 2.163 2.674 . 0 0 "[ . 1 . 2]" 1
1094 1 37 GLN QB 1 40 ALA MB . . 5.130 4.277 3.658 4.799 . 0 0 "[ . 1 . 2]" 1
1095 1 38 GLU QG 1 39 GLY H . . 3.610 3.062 2.085 3.494 . 0 0 "[ . 1 . 2]" 1
1096 1 38 GLU QG 1 39 GLY HA3 . . 5.070 3.609 3.069 4.017 . 0 0 "[ . 1 . 2]" 1
1097 1 40 ALA HA 1 41 ILE QG . . 4.720 3.777 3.243 4.728 0.008 15 0 "[ . 1 . 2]" 1
1098 1 40 ALA MB 1 57 MET QG . . 3.740 3.126 2.623 3.569 . 0 0 "[ . 1 . 2]" 1
1099 1 41 ILE H 1 41 ILE QG . . 3.460 2.586 2.226 3.249 . 0 0 "[ . 1 . 2]" 1
1100 1 41 ILE QG 1 42 ILE H . . 5.120 4.516 3.843 4.863 . 0 0 "[ . 1 . 2]" 1
1101 1 42 ILE MG 1 57 MET QG . . 4.320 3.902 3.434 4.310 . 0 0 "[ . 1 . 2]" 1
1102 1 42 ILE HG12 1 57 MET QG . . 3.670 2.643 2.227 3.050 . 0 0 "[ . 1 . 2]" 1
1103 1 42 ILE HG13 1 57 MET QG . . 4.360 3.194 2.594 3.634 . 0 0 "[ . 1 . 2]" 1
1104 1 42 ILE MD 1 57 MET QG . . 4.280 3.552 2.801 3.799 . 0 0 "[ . 1 . 2]" 1
1105 1 44 VAL HA 1 45 ILE QG . . 4.550 3.654 3.395 3.909 . 0 0 "[ . 1 . 2]" 1
1106 1 44 VAL MG1 1 47 LYS QG . . 3.600 2.419 1.884 3.600 . 10 0 "[ . 1 . 2]" 1
1107 1 44 VAL MG1 1 53 TYR QB . . 3.320 2.023 1.816 2.334 . 0 0 "[ . 1 . 2]" 1
1108 1 45 ILE H 1 45 ILE QG . . 3.390 2.057 1.881 2.179 . 0 0 "[ . 1 . 2]" 1
1109 1 45 ILE QG 1 46 LYS H . . 3.740 2.458 2.044 2.859 . 0 0 "[ . 1 . 2]" 1
1110 1 45 ILE QG 1 46 LYS QB . . 3.870 2.639 2.314 2.946 . 0 0 "[ . 1 . 2]" 1
1111 1 45 ILE QG 1 54 GLU HB2 . . 4.730 4.070 3.605 4.375 . 0 0 "[ . 1 . 2]" 1
1112 1 45 ILE QG 1 54 GLU HB3 . . 3.580 2.465 2.008 2.744 . 0 0 "[ . 1 . 2]" 1
1113 1 45 ILE QG 1 54 GLU QG . . 4.620 3.459 3.033 3.785 . 0 0 "[ . 1 . 2]" 1
1114 1 45 ILE QG 1 55 GLY HA2 . . 3.860 2.228 2.019 2.684 . 0 0 "[ . 1 . 2]" 1
1115 1 45 ILE QG 1 55 GLY HA3 . . 5.310 3.835 3.525 4.254 . 0 0 "[ . 1 . 2]" 1
1116 1 45 ILE MD 1 54 GLU QG . . 3.910 3.175 2.903 3.889 . 0 0 "[ . 1 . 2]" 1
1117 1 46 LYS QB 1 63 LEU QD . . 5.440 3.666 3.146 4.078 . 0 0 "[ . 1 . 2]" 1
1118 1 47 LYS H 1 47 LYS QB . . 3.370 2.607 2.355 3.173 . 0 0 "[ . 1 . 2]" 1
1119 1 47 LYS H 1 47 LYS QG . . 3.820 3.213 2.288 3.573 . 0 0 "[ . 1 . 2]" 1
1120 1 47 LYS HA 1 47 LYS QG . . 3.540 2.383 2.133 3.323 . 0 0 "[ . 1 . 2]" 1
1121 1 47 LYS QB 1 47 LYS QD . . 3.090 2.152 2.057 2.330 . 0 0 "[ . 1 . 2]" 1
1122 1 47 LYS QB 1 47 LYS QE . . 3.870 2.937 1.975 3.620 . 0 0 "[ . 1 . 2]" 1
1123 1 47 LYS QB 1 48 ASN H . . 4.050 3.283 2.441 3.663 . 0 0 "[ . 1 . 2]" 1
1124 1 47 LYS QB 1 53 TYR QD . . 4.530 3.170 1.975 3.985 . 0 0 "[ . 1 . 2]" 1
1125 1 47 LYS QB 1 53 TYR QE . . 4.030 3.402 2.318 4.020 . 0 0 "[ . 1 . 2]" 1
1126 1 47 LYS QG 1 53 TYR QD . . 4.340 2.835 1.989 4.135 . 0 0 "[ . 1 . 2]" 1
1127 1 47 LYS QG 1 53 TYR QE . . 4.390 3.743 2.881 4.393 0.003 10 0 "[ . 1 . 2]" 1
1128 1 47 LYS QD 1 53 TYR QE . . 4.090 3.496 2.426 4.099 0.009 11 0 "[ . 1 . 2]" 1
1129 1 48 ASN H 1 48 ASN QD . . 4.510 3.276 2.061 4.513 0.003 16 0 "[ . 1 . 2]" 1
1130 1 48 ASN QD 1 52 TRP QB . . 4.320 2.752 1.833 4.197 . 0 0 "[ . 1 . 2]" 1
1131 1 48 ASN QD 1 63 LEU QD . . 3.430 2.075 1.670 2.717 . 0 0 "[ . 1 . 2]" 1
1132 1 49 ASP QB 1 50 ASP H . . 4.090 2.771 2.139 4.045 . 0 0 "[ . 1 . 2]" 1
1133 1 50 ASP H 1 50 ASP QB . . 3.700 2.503 2.193 2.896 . 0 0 "[ . 1 . 2]" 1
1134 1 50 ASP QB 1 51 GLY H . . 4.230 2.464 1.915 3.914 . 0 0 "[ . 1 . 2]" 1
1135 1 50 ASP QB 1 52 TRP HD1 . . 4.370 2.230 1.896 2.944 . 0 0 "[ . 1 . 2]" 1
1136 1 51 GLY QA 1 53 TYR QE . . 4.560 3.406 2.496 4.228 . 0 0 "[ . 1 . 2]" 1
1137 1 52 TRP H 1 52 TRP QB . . 3.180 2.784 2.290 2.922 . 0 0 "[ . 1 . 2]" 1
1138 1 52 TRP QB 1 52 TRP HE3 . . 3.490 2.526 2.400 2.623 . 0 0 "[ . 1 . 2]" 1
1139 1 52 TRP QB 1 53 TYR H . . 3.720 3.359 2.970 3.687 . 0 0 "[ . 1 . 2]" 1
1140 1 52 TRP QB 1 63 LEU QB . . 4.320 3.066 2.393 3.509 . 0 0 "[ . 1 . 2]" 1
1141 1 52 TRP QB 1 63 LEU QD . . 3.560 2.517 1.934 3.234 . 0 0 "[ . 1 . 2]" 1
1142 1 52 TRP HE3 1 63 LEU QD . . 5.440 3.513 2.851 4.116 . 0 0 "[ . 1 . 2]" 1
1143 1 52 TRP HZ3 1 65 PRO QD . . 3.690 2.315 1.993 2.815 . 0 0 "[ . 1 . 2]" 1
1144 1 52 TRP HH2 1 65 PRO QD . . 4.510 3.277 2.618 4.240 . 0 0 "[ . 1 . 2]" 1
1145 1 53 TYR H 1 53 TYR QB . . 3.260 2.747 2.586 2.896 . 0 0 "[ . 1 . 2]" 1
1146 1 53 TYR QB 1 54 GLU H . . 3.480 2.791 2.519 3.026 . 0 0 "[ . 1 . 2]" 1
1147 1 53 TYR QD 1 66 GLY QA . . 3.760 3.090 2.436 3.615 . 0 0 "[ . 1 . 2]" 1
1148 1 53 TYR QE 1 66 GLY QA . . 3.920 2.437 1.945 3.296 . 0 0 "[ . 1 . 2]" 1
1149 1 54 GLU H 1 54 GLU QG . . 4.640 4.021 3.956 4.085 . 0 0 "[ . 1 . 2]" 1
1150 1 54 GLU H 1 63 LEU QD . . 4.390 3.477 2.819 4.307 . 0 0 "[ . 1 . 2]" 1
1151 1 54 GLU HA 1 54 GLU QG . . 3.440 2.293 2.137 2.602 . 0 0 "[ . 1 . 2]" 1
1152 1 54 GLU HA 1 63 LEU QD . . 3.490 2.927 2.324 3.488 . 0 0 "[ . 1 . 2]" 1
1153 1 54 GLU HB2 1 63 LEU QD . . 3.700 2.505 1.998 3.152 . 0 0 "[ . 1 . 2]" 1
1154 1 54 GLU HB3 1 63 LEU QD . . 4.260 3.816 3.331 4.189 . 0 0 "[ . 1 . 2]" 1
1155 1 54 GLU QG 1 55 GLY H . . 3.740 2.876 2.298 3.183 . 0 0 "[ . 1 . 2]" 1
1156 1 54 GLU QG 1 61 THR MG . . 3.380 2.424 2.147 2.782 . 0 0 "[ . 1 . 2]" 1
1157 1 54 GLU QG 1 62 GLY H . . 4.550 3.549 3.163 4.043 . 0 0 "[ . 1 . 2]" 1
1158 1 54 GLU QG 1 63 LEU H . . 5.340 4.001 3.405 4.735 . 0 0 "[ . 1 . 2]" 1
1159 1 54 GLU QG 1 63 LEU HA . . 4.540 3.223 2.768 4.203 . 0 0 "[ . 1 . 2]" 1
1160 1 54 GLU QG 1 63 LEU HG . . 4.810 3.088 2.042 4.728 . 0 0 "[ . 1 . 2]" 1
1161 1 54 GLU QG 1 63 LEU QD . . 3.670 2.502 1.849 3.593 . 0 0 "[ . 1 . 2]" 1
1162 1 55 GLY H 1 63 LEU QD . . 4.790 4.455 3.778 4.757 . 0 0 "[ . 1 . 2]" 1
1163 1 56 VAL MG1 1 59 GLY QA . . 3.810 2.876 2.539 3.094 . 0 0 "[ . 1 . 2]" 1
1164 1 57 MET HA 1 57 MET QG . . 3.450 2.263 2.171 2.333 . 0 0 "[ . 1 . 2]" 1
1165 1 57 MET QG 1 58 ASN H . . 4.560 3.206 2.817 3.683 . 0 0 "[ . 1 . 2]" 1
1166 1 58 ASN HA 1 59 GLY QA . . 5.340 4.012 3.987 4.037 . 0 0 "[ . 1 . 2]" 1
1167 1 58 ASN HA 1 60 VAL QG . . 5.440 5.200 5.053 5.364 . 0 0 "[ . 1 . 2]" 1
1168 1 58 ASN QB 1 60 VAL QG . . 4.400 3.555 3.202 4.116 . 0 0 "[ . 1 . 2]" 1
1169 1 58 ASN QD 1 60 VAL H . . 3.890 3.586 2.959 3.887 . 0 0 "[ . 1 . 2]" 1
1170 1 59 GLY QA 1 60 VAL QG . . 4.630 3.649 3.521 3.805 . 0 0 "[ . 1 . 2]" 1
1171 1 60 VAL H 1 60 VAL QG . . 3.290 2.331 2.143 2.508 . 0 0 "[ . 1 . 2]" 1
1172 1 60 VAL QG 1 61 THR H . . 3.300 2.514 2.051 2.815 . 0 0 "[ . 1 . 2]" 1
1173 1 63 LEU H 1 63 LEU QD . . 4.040 2.660 1.945 3.446 . 0 0 "[ . 1 . 2]" 1
1174 1 63 LEU HA 1 63 LEU QD . . 3.170 2.457 1.982 3.081 . 0 0 "[ . 1 . 2]" 1
1175 1 63 LEU QD 1 64 PHE H . . 4.280 3.262 2.516 4.157 . 0 0 "[ . 1 . 2]" 1
1176 1 64 PHE HB2 1 65 PRO QD . . 3.160 2.090 1.988 2.260 . 0 0 "[ . 1 . 2]" 1
1177 1 64 PHE HB3 1 65 PRO QD . . 3.800 3.249 3.051 3.408 . 0 0 "[ . 1 . 2]" 1
1178 1 64 PHE QD 1 65 PRO QD . . 4.450 3.541 3.305 3.728 . 0 0 "[ . 1 . 2]" 1
1179 1 64 PHE QD 1 68 TYR QB . . 4.900 4.340 3.920 4.655 . 0 0 "[ . 1 . 2]" 1
1180 1 65 PRO HA 1 66 GLY QA . . 4.560 3.905 3.897 3.928 . 0 0 "[ . 1 . 2]" 1
1181 1 65 PRO QB 1 66 GLY H . . 4.110 3.219 3.065 3.495 . 0 0 "[ . 1 . 2]" 1
1182 1 65 PRO QB 1 67 ASN H . . 4.430 2.619 2.249 3.591 . 0 0 "[ . 1 . 2]" 1
1183 1 65 PRO QB 1 68 TYR H . . 4.510 3.013 2.708 3.950 . 0 0 "[ . 1 . 2]" 1
1184 1 65 PRO QB 1 68 TYR QD . . 3.710 2.516 1.990 3.183 . 0 0 "[ . 1 . 2]" 1
1185 1 65 PRO QB 1 68 TYR QE . . 4.080 3.607 2.885 3.997 . 0 0 "[ . 1 . 2]" 1
1186 1 65 PRO HG2 1 68 TYR QB . . 4.630 2.404 1.995 3.964 . 0 0 "[ . 1 . 2]" 1
1187 1 66 GLY QA 1 69 VAL MG2 . . 3.600 2.090 1.843 2.594 . 0 0 "[ . 1 . 2]" 1
1188 1 67 ASN H 1 67 ASN QB . . 3.350 2.425 2.170 2.717 . 0 0 "[ . 1 . 2]" 1
1189 1 68 TYR H 1 68 TYR QB . . 3.150 2.322 2.161 2.535 . 0 0 "[ . 1 . 2]" 1
1190 1 68 TYR QB 1 69 VAL H . . 4.170 3.391 2.628 3.828 . 0 0 "[ . 1 . 2]" 1
1191 1 68 TYR QB 1 69 VAL MG1 . . 3.850 3.030 2.617 3.365 . 0 0 "[ . 1 . 2]" 1
1192 1 71 SER HA 1 72 ILE QG . . 4.660 3.894 3.414 4.644 . 0 0 "[ . 1 . 2]" 1
1193 1 72 ILE QG 1 73 SER H . . 3.900 2.266 1.966 2.727 . 0 0 "[ . 1 . 2]" 1
1194 1 72 ILE QG 1 73 SER QB . . 4.280 3.027 2.399 3.696 . 0 0 "[ . 1 . 2]" 1
1195 1 74 GLY QA 1 75 PRO QG . . 4.380 3.679 3.659 3.700 . 0 0 "[ . 1 . 2]" 1
1196 1 74 GLY QA 1 75 PRO QD . . 2.630 1.972 1.908 2.034 . 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 1
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.420
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0070
_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 50 ASP 0.021 0.013 16 0 "[ . 1 . 2]"
1 51 GLY 0.021 0.013 16 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 50 ASP HA 1 51 GLY H . . 2.800 2.633 2.527 2.813 0.013 16 0 "[ . 1 . 2]" 2
stop_
save_
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