NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578476 |
2mlk   |
18200 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mlk
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 811
_Distance_constraint_stats_list.Viol_count 1082
_Distance_constraint_stats_list.Viol_total 836.917
_Distance_constraint_stats_list.Viol_max 0.504
_Distance_constraint_stats_list.Viol_rms 0.0157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0387
_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 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.004 0.004 10 0 "[ . 1 . 2]"
1 12 LEU 0.424 0.093 8 0 "[ . 1 . 2]"
1 13 THR 0.327 0.093 8 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 HIS 0.081 0.036 17 0 "[ . 1 . 2]"
1 16 LYS 0.081 0.036 17 0 "[ . 1 . 2]"
1 17 THR 0.438 0.157 14 0 "[ . 1 . 2]"
1 18 ILE 0.503 0.049 1 0 "[ . 1 . 2]"
1 19 SER 0.010 0.010 14 0 "[ . 1 . 2]"
1 20 PHE 0.036 0.036 14 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 1.797 0.110 5 0 "[ . 1 . 2]"
1 24 THR 0.236 0.046 15 0 "[ . 1 . 2]"
1 25 ILE 2.211 0.130 12 0 "[ . 1 . 2]"
1 26 ASP 1.346 0.157 14 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.206 0.029 12 0 "[ . 1 . 2]"
1 29 ASN 0.334 0.037 4 0 "[ . 1 . 2]"
1 30 ARG 0.213 0.048 8 0 "[ . 1 . 2]"
1 31 GLN 0.225 0.037 4 0 "[ . 1 . 2]"
1 32 VAL 0.126 0.068 11 0 "[ . 1 . 2]"
1 33 LEU 0.494 0.068 4 0 "[ . 1 . 2]"
1 34 LEU 0.252 0.068 4 0 "[ . 1 . 2]"
1 35 GLY 0.045 0.037 17 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.511 0.080 14 0 "[ . 1 . 2]"
1 38 ASN 0.484 0.080 14 0 "[ . 1 . 2]"
1 39 VAL 0.009 0.005 16 0 "[ . 1 . 2]"
1 40 ALA 0.079 0.035 11 0 "[ . 1 . 2]"
1 41 LEU 0.299 0.058 20 0 "[ . 1 . 2]"
1 42 SER 0.222 0.038 12 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.452 0.056 17 0 "[ . 1 . 2]"
1 45 ASP 0.984 0.062 17 0 "[ . 1 . 2]"
1 46 PHE 0.206 0.091 16 0 "[ . 1 . 2]"
1 47 ASP 0.264 0.137 3 0 "[ . 1 . 2]"
1 48 LEU 0.984 0.088 13 0 "[ . 1 . 2]"
1 49 LEU 0.031 0.017 15 0 "[ . 1 . 2]"
1 50 TRP 0.114 0.041 15 0 "[ . 1 . 2]"
1 51 GLU 0.110 0.034 17 0 "[ . 1 . 2]"
1 52 LEU 1.783 0.132 15 0 "[ . 1 . 2]"
1 53 ALA 2.029 0.091 6 0 "[ . 1 . 2]"
1 54 THR 2.016 0.130 12 0 "[ . 1 . 2]"
1 55 HIS 0.076 0.076 15 0 "[ . 1 . 2]"
1 56 ALA 1.416 0.090 8 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 1.214 0.089 15 0 "[ . 1 . 2]"
1 60 MET 0.288 0.057 7 0 "[ . 1 . 2]"
1 61 ASP 0.984 0.078 19 0 "[ . 1 . 2]"
1 62 ARG 0.033 0.016 3 0 "[ . 1 . 2]"
1 63 ASP 0.264 0.063 17 0 "[ . 1 . 2]"
1 64 ALA 0.360 0.041 18 0 "[ . 1 . 2]"
1 65 LEU 5.140 0.195 8 0 "[ . 1 . 2]"
1 66 LEU 4.254 0.195 8 0 "[ . 1 . 2]"
1 67 LYS 0.644 0.062 3 0 "[ . 1 . 2]"
1 68 ASN 0.600 0.075 17 0 "[ . 1 . 2]"
1 69 LEU 1.173 0.137 3 0 "[ . 1 . 2]"
1 70 ARG 2.245 0.504 16 1 "[ . 1 .+ 2]"
1 71 GLY 1.234 0.504 16 1 "[ . 1 .+ 2]"
1 72 VAL 1.946 0.196 16 0 "[ . 1 . 2]"
1 73 THR 0.557 0.153 12 0 "[ . 1 . 2]"
1 74 TYR 1.479 0.165 18 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 MET 0.058 0.018 13 0 "[ . 1 . 2]"
1 78 ASP 0.526 0.086 15 0 "[ . 1 . 2]"
1 79 ARG 0.202 0.057 13 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.625 0.070 19 0 "[ . 1 . 2]"
1 82 ASP 0.019 0.019 13 0 "[ . 1 . 2]"
1 83 VAL 0.164 0.026 3 0 "[ . 1 . 2]"
1 84 ALA 0.089 0.032 1 0 "[ . 1 . 2]"
1 85 ILE 1.132 0.086 1 0 "[ . 1 . 2]"
1 87 ARG 0.066 0.025 9 0 "[ . 1 . 2]"
1 88 LEU 1.546 0.086 1 0 "[ . 1 . 2]"
1 89 ARG 7.429 0.421 15 0 "[ . 1 . 2]"
1 90 LYS 0.743 0.089 17 0 "[ . 1 . 2]"
1 91 LYS 0.352 0.076 3 0 "[ . 1 . 2]"
1 92 LEU 1.679 0.217 15 0 "[ . 1 . 2]"
1 93 LEU 2.830 0.382 18 0 "[ . 1 . 2]"
1 94 ASP 2.657 0.382 18 0 "[ . 1 . 2]"
1 96 ALA 0.207 0.083 20 0 "[ . 1 . 2]"
1 97 THR 0.692 0.083 20 0 "[ . 1 . 2]"
1 98 GLU 1.130 0.090 7 0 "[ . 1 . 2]"
1 100 TYR 1.151 0.131 3 0 "[ . 1 . 2]"
1 101 ARG 1.452 0.131 3 0 "[ . 1 . 2]"
1 103 LYS 0.451 0.062 15 0 "[ . 1 . 2]"
1 104 THR 2.740 0.231 15 0 "[ . 1 . 2]"
1 105 VAL 1.262 0.089 15 0 "[ . 1 . 2]"
1 106 ARG 0.070 0.031 14 0 "[ . 1 . 2]"
1 107 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LYS 0.186 0.081 7 0 "[ . 1 . 2]"
1 109 GLY 0.212 0.042 14 0 "[ . 1 . 2]"
1 110 TYR 0.963 0.060 15 0 "[ . 1 . 2]"
1 111 LEU 1.277 0.101 18 0 "[ . 1 . 2]"
1 112 PHE 0.665 0.101 18 0 "[ . 1 . 2]"
1 113 ALA 0.746 0.062 15 0 "[ . 1 . 2]"
1 115 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 ALA 0.189 0.070 12 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 41 LEU QD 1 42 SER H . . 4.020 3.440 2.744 4.058 0.038 12 0 "[ . 1 . 2]" 1
2 1 60 MET H 1 105 VAL MG2 . . 5.180 4.516 4.007 4.903 . 0 0 "[ . 1 . 2]" 1
3 1 24 THR MG 1 26 ASP H . . 4.900 4.160 3.797 4.311 . 0 0 "[ . 1 . 2]" 1
4 1 24 THR MG 1 33 LEU H . . 4.600 4.332 3.892 4.578 . 0 0 "[ . 1 . 2]" 1
5 1 17 THR MG 1 26 ASP H . . 4.580 4.570 4.374 4.737 0.157 14 0 "[ . 1 . 2]" 1
6 1 25 ILE QG 1 33 LEU H . . 4.750 4.333 3.987 4.769 0.019 15 0 "[ . 1 . 2]" 1
7 1 32 VAL MG2 1 33 LEU H . . 4.120 3.908 3.484 4.026 . 0 0 "[ . 1 . 2]" 1
8 1 32 VAL MG1 1 33 LEU H . . 4.120 3.515 2.229 3.767 . 0 0 "[ . 1 . 2]" 1
9 1 39 VAL H 1 39 VAL MG1 . . 4.250 3.838 3.690 3.886 . 0 0 "[ . 1 . 2]" 1
10 1 105 VAL MG2 1 111 LEU H . . 4.350 3.473 3.048 4.009 . 0 0 "[ . 1 . 2]" 1
11 1 62 ARG H 1 81 VAL QG . . 4.890 4.426 3.904 4.906 0.016 3 0 "[ . 1 . 2]" 1
12 1 88 LEU H 1 88 LEU QD . . 4.100 2.438 1.868 3.036 . 0 0 "[ . 1 . 2]" 1
13 1 63 ASP H 1 81 VAL QG . . 5.170 4.665 4.132 5.233 0.063 17 0 "[ . 1 . 2]" 1
14 1 41 LEU H 1 41 LEU QD . . 3.860 3.478 2.226 3.858 . 0 0 "[ . 1 . 2]" 1
15 1 69 LEU QD 1 70 ARG H . . 4.060 3.864 3.632 3.961 . 0 0 "[ . 1 . 2]" 1
16 1 66 LEU H 1 81 VAL QG . . 4.410 2.520 2.107 2.747 . 0 0 "[ . 1 . 2]" 1
17 1 48 LEU H 1 88 LEU QD . . 4.510 4.233 3.987 4.538 0.028 8 0 "[ . 1 . 2]" 1
18 1 51 GLU QB 1 52 LEU H . . 3.920 2.730 2.584 2.865 . 0 0 "[ . 1 . 2]" 1
19 1 51 GLU QG 1 52 LEU H . . 4.260 3.971 3.500 4.280 0.020 8 0 "[ . 1 . 2]" 1
20 1 45 ASP H 1 88 LEU QD . . 4.320 4.351 4.246 4.382 0.062 17 0 "[ . 1 . 2]" 1
21 1 53 ALA MB 1 55 HIS H . . 4.430 4.247 4.173 4.347 . 0 0 "[ . 1 . 2]" 1
22 1 20 PHE QE 1 56 ALA MB . . 3.290 2.529 1.903 3.326 0.036 14 0 "[ . 1 . 2]" 1
23 1 72 VAL QG 1 74 TYR QD . . 3.800 2.221 1.892 2.732 . 0 0 "[ . 1 . 2]" 1
24 1 73 THR MG 1 74 TYR QD . . 4.250 2.909 2.112 3.801 . 0 0 "[ . 1 . 2]" 1
25 1 105 VAL MG1 1 110 TYR HA . . 4.800 3.990 3.493 4.761 . 0 0 "[ . 1 . 2]" 1
26 1 105 VAL MG2 1 110 TYR HA . . 4.050 2.899 2.546 3.378 . 0 0 "[ . 1 . 2]" 1
27 1 17 THR MG 1 26 ASP HA . . 3.300 2.242 1.999 2.487 . 0 0 "[ . 1 . 2]" 1
28 1 19 SER HA 1 24 THR HA . . 3.190 2.190 1.992 2.405 . 0 0 "[ . 1 . 2]" 1
29 1 40 ALA MB 1 41 LEU HA . . 4.150 4.006 3.916 4.088 . 0 0 "[ . 1 . 2]" 1
30 1 33 LEU HA 1 38 ASN HA . . 4.060 2.116 1.982 2.290 . 0 0 "[ . 1 . 2]" 1
31 1 59 ILE MD 1 61 ASP HA . . 3.910 3.329 2.861 3.601 . 0 0 "[ . 1 . 2]" 1
32 1 105 VAL MG2 1 111 LEU HA . . 4.690 4.697 4.465 4.772 0.082 11 0 "[ . 1 . 2]" 1
33 1 105 VAL MG1 1 111 LEU HA . . 4.910 4.332 4.005 4.836 . 0 0 "[ . 1 . 2]" 1
34 1 59 ILE HA 1 111 LEU HA . . 4.480 3.594 2.853 4.397 . 0 0 "[ . 1 . 2]" 1
35 1 17 THR HA 1 26 ASP HA . . 4.470 3.780 3.301 4.257 . 0 0 "[ . 1 . 2]" 1
36 1 17 THR HA 1 17 THR MG . . 3.260 2.363 2.212 2.512 . 0 0 "[ . 1 . 2]" 1
37 1 25 ILE HA 1 25 ILE QG . . 3.550 2.337 2.200 2.407 . 0 0 "[ . 1 . 2]" 1
38 1 24 THR MG 1 25 ILE HA . . 3.960 3.782 3.627 3.868 . 0 0 "[ . 1 . 2]" 1
39 1 25 ILE HA 1 25 ILE MD . . 4.330 3.779 3.614 3.856 . 0 0 "[ . 1 . 2]" 1
40 1 37 GLU HA 1 37 GLU HG3 . . 3.810 2.787 2.216 3.384 . 0 0 "[ . 1 . 2]" 1
41 1 55 HIS HA 1 56 ALA MB . . 4.580 4.453 4.407 4.496 . 0 0 "[ . 1 . 2]" 1
42 1 37 GLU HA 1 37 GLU HG2 . . 3.810 2.509 2.040 3.520 . 0 0 "[ . 1 . 2]" 1
43 1 18 ILE HA 1 18 ILE MG . . 3.150 2.211 2.100 2.331 . 0 0 "[ . 1 . 2]" 1
44 1 108 LYS HA 1 108 LYS QG . . 3.700 2.287 2.068 2.610 . 0 0 "[ . 1 . 2]" 1
45 1 105 VAL MG2 1 108 LYS HA . . 4.140 3.787 3.646 3.964 . 0 0 "[ . 1 . 2]" 1
46 1 79 ARG HA 1 79 ARG QG . . 3.380 2.460 2.132 3.379 . 0 0 "[ . 1 . 2]" 1
47 1 70 ARG HA 1 70 ARG QD . . 3.670 2.450 1.975 3.690 0.020 16 0 "[ . 1 . 2]" 1
48 1 79 ARG HA 1 79 ARG QD . . 4.070 3.502 2.110 4.020 . 0 0 "[ . 1 . 2]" 1
49 1 63 ASP HA 1 81 VAL QG . . 5.040 4.440 3.929 5.050 0.010 17 0 "[ . 1 . 2]" 1
50 1 79 ARG HA 1 81 VAL QG . . 5.500 5.348 5.199 5.520 0.020 11 0 "[ . 1 . 2]" 1
51 1 69 LEU HA 1 69 LEU QD . . 2.740 2.156 1.987 2.756 0.016 17 0 "[ . 1 . 2]" 1
52 1 63 ASP HA 1 66 LEU QB . . 4.680 4.220 3.770 4.625 . 0 0 "[ . 1 . 2]" 1
53 1 104 THR HA 1 110 TYR HA . . 3.720 2.395 2.023 3.018 . 0 0 "[ . 1 . 2]" 1
54 1 73 THR HA 1 73 THR MG . . 3.270 3.196 3.180 3.207 . 0 0 "[ . 1 . 2]" 1
55 1 33 LEU MD1 1 36 GLY HA2 . . 4.890 2.889 2.285 3.653 . 0 0 "[ . 1 . 2]" 1
56 1 59 ILE MD 1 109 GLY HA2 . . 4.330 3.778 3.270 4.178 . 0 0 "[ . 1 . 2]" 1
57 1 61 ASP HA 1 109 GLY HA2 . . 3.620 3.275 2.519 3.650 0.030 18 0 "[ . 1 . 2]" 1
58 1 97 THR HA 1 97 THR MG . . 2.730 2.490 2.450 2.768 0.038 7 0 "[ . 1 . 2]" 1
59 1 90 LYS HA 1 90 LYS QE . . 4.620 3.716 2.118 4.572 . 0 0 "[ . 1 . 2]" 1
60 1 13 THR HG1 1 13 THR MG . . 2.850 2.344 2.001 2.903 0.053 4 0 "[ . 1 . 2]" 1
61 1 105 VAL HA 1 105 VAL MG1 . . 3.060 2.217 2.045 2.294 . 0 0 "[ . 1 . 2]" 1
62 1 82 ASP HA 1 85 ILE MG . . 4.510 4.295 3.919 4.529 0.019 13 0 "[ . 1 . 2]" 1
63 1 105 VAL HA 1 105 VAL MG2 . . 3.310 3.168 3.136 3.181 . 0 0 "[ . 1 . 2]" 1
64 1 13 THR HA 1 13 THR HB . . 2.900 2.541 2.334 2.768 . 0 0 "[ . 1 . 2]" 1
65 1 82 ASP HA 1 85 ILE QG . . 4.360 3.710 3.151 4.169 . 0 0 "[ . 1 . 2]" 1
66 1 64 ALA HA 1 67 LYS QD . . 3.940 3.362 2.922 3.954 0.014 8 0 "[ . 1 . 2]" 1
67 1 64 ALA HA 1 67 LYS HB3 . . 3.680 3.365 2.908 3.687 0.007 9 0 "[ . 1 . 2]" 1
68 1 64 ALA HA 1 67 LYS HB2 . . 3.680 2.999 2.647 3.359 . 0 0 "[ . 1 . 2]" 1
69 1 91 LYS HA 1 92 LEU HA . . 4.820 4.597 4.518 4.644 . 0 0 "[ . 1 . 2]" 1
70 1 24 THR HB 1 33 LEU MD1 . . 4.790 4.765 4.515 4.814 0.024 1 0 "[ . 1 . 2]" 1
71 1 52 LEU HA 1 65 LEU QD . . 3.570 3.653 3.573 3.702 0.132 15 0 "[ . 1 . 2]" 1
72 1 41 LEU QD 1 88 LEU HA . . 3.490 2.819 2.519 3.496 0.006 12 0 "[ . 1 . 2]" 1
73 1 58 GLN HA 1 59 ILE HA . . 4.750 4.341 4.323 4.357 . 0 0 "[ . 1 . 2]" 1
74 1 59 ILE HA 1 105 VAL MG1 . . 5.060 4.412 3.907 4.989 . 0 0 "[ . 1 . 2]" 1
75 1 59 ILE HA 1 59 ILE MD . . 3.290 2.512 1.931 3.325 0.035 17 0 "[ . 1 . 2]" 1
76 1 106 ARG HA 1 106 ARG QG . . 3.810 2.421 2.075 3.334 . 0 0 "[ . 1 . 2]" 1
77 1 49 LEU HA 1 88 LEU QD . . 5.010 3.677 3.268 5.002 . 0 0 "[ . 1 . 2]" 1
78 1 18 ILE MD 1 54 THR HB . . 4.140 3.178 2.922 3.690 . 0 0 "[ . 1 . 2]" 1
79 1 28 VAL HA 1 28 VAL MG1 . . 3.190 2.365 2.270 2.466 . 0 0 "[ . 1 . 2]" 1
80 1 33 LEU MD1 1 36 GLY HA3 . . 4.890 4.104 3.559 4.828 . 0 0 "[ . 1 . 2]" 1
81 1 28 VAL HA 1 29 ASN HA . . 4.650 4.622 4.556 4.664 0.014 11 0 "[ . 1 . 2]" 1
82 1 59 ILE MD 1 109 GLY HA3 . . 4.330 2.323 1.855 2.701 . 0 0 "[ . 1 . 2]" 1
83 1 61 ASP HA 1 109 GLY HA3 . . 3.620 2.535 1.985 2.809 . 0 0 "[ . 1 . 2]" 1
84 1 85 ILE HA 1 85 ILE MG . . 3.620 2.418 2.339 2.526 . 0 0 "[ . 1 . 2]" 1
85 1 43 THR HA 1 46 PHE HB2 . . 4.520 3.542 2.588 4.439 . 0 0 "[ . 1 . 2]" 1
86 1 106 ARG QB 1 106 ARG QD . . 3.430 2.146 1.934 2.376 . 0 0 "[ . 1 . 2]" 1
87 1 106 ARG HA 1 106 ARG QD . . 4.210 3.163 2.122 4.136 . 0 0 "[ . 1 . 2]" 1
88 1 70 ARG QD 1 72 VAL QG . . 4.190 3.599 2.907 4.114 . 0 0 "[ . 1 . 2]" 1
89 1 17 THR MG 1 26 ASP HB3 . . 3.990 2.316 1.924 3.893 . 0 0 "[ . 1 . 2]" 1
90 1 43 THR HA 1 46 PHE HB3 . . 4.520 3.230 2.782 3.793 . 0 0 "[ . 1 . 2]" 1
91 1 107 ASN HA 1 107 ASN QB . . 2.740 2.467 2.292 2.540 . 0 0 "[ . 1 . 2]" 1
92 1 72 VAL QG 1 74 TYR HB3 . . 4.310 4.141 3.280 4.475 0.165 18 0 "[ . 1 . 2]" 1
93 1 45 ASP HB2 1 88 LEU QD . . 3.660 3.438 3.285 3.670 0.010 7 0 "[ . 1 . 2]" 1
94 1 44 ALA MB 1 47 ASP QB . . 4.250 3.972 3.770 4.290 0.040 3 0 "[ . 1 . 2]" 1
95 1 41 LEU QD 1 45 ASP HB2 . . 3.830 3.227 2.674 3.713 . 0 0 "[ . 1 . 2]" 1
96 1 44 ALA HA 1 47 ASP QB . . 3.680 2.648 2.389 2.860 . 0 0 "[ . 1 . 2]" 1
97 1 78 ASP HA 1 78 ASP QB . . 2.730 2.190 2.163 2.254 . 0 0 "[ . 1 . 2]" 1
98 1 17 THR MG 1 26 ASP HB2 . . 3.990 3.279 2.053 3.729 . 0 0 "[ . 1 . 2]" 1
99 1 41 LEU QD 1 45 ASP HB3 . . 3.830 2.369 1.904 2.878 . 0 0 "[ . 1 . 2]" 1
100 1 32 VAL HB 1 39 VAL HB . . 3.750 3.492 2.936 3.751 0.001 14 0 "[ . 1 . 2]" 1
101 1 25 ILE QG 1 32 VAL HB . . 4.440 3.778 3.373 4.435 . 0 0 "[ . 1 . 2]" 1
102 1 58 GLN HA 1 58 GLN QB . . 2.770 2.480 2.328 2.538 . 0 0 "[ . 1 . 2]" 1
103 1 83 VAL HB 1 84 ALA HA . . 4.320 4.198 4.106 4.255 . 0 0 "[ . 1 . 2]" 1
104 1 88 LEU QB 1 89 ARG HA . . 3.880 3.816 3.737 3.865 . 0 0 "[ . 1 . 2]" 1
105 1 88 LEU QB 1 88 LEU QD . . 2.860 1.943 1.857 2.019 . 0 0 "[ . 1 . 2]" 1
106 1 49 LEU QD 1 88 LEU QB . . 4.350 3.318 2.721 4.246 . 0 0 "[ . 1 . 2]" 1
107 1 28 VAL HB 1 29 ASN HB2 . . 5.120 3.771 3.609 3.971 . 0 0 "[ . 1 . 2]" 1
108 1 77 MET HA 1 77 MET QB . . 2.640 2.373 2.181 2.499 . 0 0 "[ . 1 . 2]" 1
109 1 78 ASP QB 1 81 VAL HB . . 4.400 3.103 2.730 4.003 . 0 0 "[ . 1 . 2]" 1
110 1 48 LEU QB 1 84 ALA MB . . 4.090 3.291 2.961 3.608 . 0 0 "[ . 1 . 2]" 1
111 1 85 ILE HB 1 85 ILE MD . . 3.610 2.522 2.260 3.216 . 0 0 "[ . 1 . 2]" 1
112 1 82 ASP HA 1 85 ILE HB . . 3.500 3.021 2.668 3.289 . 0 0 "[ . 1 . 2]" 1
113 1 18 ILE HG12 1 25 ILE HB . . 4.280 3.273 2.901 3.577 . 0 0 "[ . 1 . 2]" 1
114 1 25 ILE HB 1 25 ILE MD . . 3.690 2.204 2.035 2.322 . 0 0 "[ . 1 . 2]" 1
115 1 18 ILE MG 1 25 ILE HB . . 4.790 4.741 4.628 4.803 0.013 6 0 "[ . 1 . 2]" 1
116 1 62 ARG QB 1 81 VAL QG . . 4.200 2.502 1.991 3.202 . 0 0 "[ . 1 . 2]" 1
117 1 18 ILE HG13 1 25 ILE HB . . 4.280 2.073 1.978 2.292 . 0 0 "[ . 1 . 2]" 1
118 1 14 PRO QB 1 15 HIS HA . . 4.620 4.251 3.848 4.538 . 0 0 "[ . 1 . 2]" 1
119 1 59 ILE HB 1 59 ILE MD . . 3.360 2.753 2.409 3.193 . 0 0 "[ . 1 . 2]" 1
120 1 59 ILE MD 1 108 LYS QB . . 3.510 2.664 1.929 3.045 . 0 0 "[ . 1 . 2]" 1
121 1 108 LYS QB 1 108 LYS QE . . 2.870 2.384 1.990 2.872 0.002 4 0 "[ . 1 . 2]" 1
122 1 62 ARG QG 1 63 ASP QB . . 4.080 3.399 2.978 3.890 . 0 0 "[ . 1 . 2]" 1
123 1 62 ARG QG 1 78 ASP QB . . 4.240 3.243 2.355 4.128 . 0 0 "[ . 1 . 2]" 1
124 1 24 THR HB 1 33 LEU QB . . 3.610 2.582 2.019 2.814 . 0 0 "[ . 1 . 2]" 1
125 1 103 LYS QD 1 113 ALA MB . . 4.130 3.292 2.362 4.138 0.008 2 0 "[ . 1 . 2]" 1
126 1 59 ILE HB 1 111 LEU HG . . 4.000 2.889 2.097 4.013 0.013 10 0 "[ . 1 . 2]" 1
127 1 91 LYS HA 1 91 LYS QG . . 3.420 2.753 2.237 3.344 . 0 0 "[ . 1 . 2]" 1
128 1 70 ARG HA 1 70 ARG QG . . 3.280 2.928 2.512 3.412 0.132 14 0 "[ . 1 . 2]" 1
129 1 88 LEU HA 1 91 LYS QG . . 4.240 3.587 2.267 4.243 0.003 8 0 "[ . 1 . 2]" 1
130 1 66 LEU HG 1 78 ASP QB . . 5.500 5.360 3.939 5.586 0.086 15 0 "[ . 1 . 2]" 1
131 1 78 ASP QB 1 79 ARG QG . . 5.500 5.072 4.634 5.495 . 0 0 "[ . 1 . 2]" 1
132 1 48 LEU QB 1 69 LEU HG . . 4.690 4.563 4.105 4.778 0.088 13 0 "[ . 1 . 2]" 1
133 1 60 MET HA 1 64 ALA MB . . 3.800 3.504 3.154 3.777 . 0 0 "[ . 1 . 2]" 1
134 1 96 ALA MB 1 97 THR HA . . 4.160 3.790 3.639 4.028 . 0 0 "[ . 1 . 2]" 1
135 1 60 MET QG 1 64 ALA MB . . 4.350 3.443 2.334 4.369 0.019 8 0 "[ . 1 . 2]" 1
136 1 53 ALA HA 1 56 ALA MB . . 4.120 2.880 2.361 3.347 . 0 0 "[ . 1 . 2]" 1
137 1 105 VAL MG2 1 108 LYS QG . . 3.920 3.633 3.156 3.964 0.044 3 0 "[ . 1 . 2]" 1
138 1 48 LEU QD 1 84 ALA MB . . 3.230 2.026 1.682 2.909 . 0 0 "[ . 1 . 2]" 1
139 1 81 VAL HA 1 84 ALA MB . . 3.670 2.483 2.284 2.690 . 0 0 "[ . 1 . 2]" 1
140 1 44 ALA MB 1 69 LEU HA . . 4.640 4.660 4.637 4.696 0.056 17 0 "[ . 1 . 2]" 1
141 1 49 LEU HG 1 88 LEU QD . . 4.130 2.300 1.893 3.674 . 0 0 "[ . 1 . 2]" 1
142 1 40 ALA MB 1 41 LEU QD . . 4.360 4.256 4.051 4.395 0.035 11 0 "[ . 1 . 2]" 1
143 1 59 ILE MD 1 111 LEU HG . . 4.190 3.265 2.127 4.233 0.043 10 0 "[ . 1 . 2]" 1
144 1 65 LEU HG 1 66 LEU HA . . 4.960 3.747 3.513 3.934 . 0 0 "[ . 1 . 2]" 1
145 1 111 LEU HA 1 111 LEU HG . . 4.080 2.537 2.287 2.714 . 0 0 "[ . 1 . 2]" 1
146 1 33 LEU HG 1 37 GLU HA . . 4.740 3.853 3.308 4.215 . 0 0 "[ . 1 . 2]" 1
147 1 96 ALA MB 1 97 THR MG . . 3.520 2.784 2.201 3.023 . 0 0 "[ . 1 . 2]" 1
148 1 105 VAL MG1 1 111 LEU QB . . 3.380 1.998 1.786 2.428 . 0 0 "[ . 1 . 2]" 1
149 1 101 ARG HA 1 113 ALA MB . . 3.950 2.196 1.870 2.886 . 0 0 "[ . 1 . 2]" 1
150 1 111 LEU QB 1 112 PHE HA . . 4.520 4.481 4.264 4.621 0.101 18 0 "[ . 1 . 2]" 1
151 1 112 PHE HA 1 113 ALA MB . . 4.790 4.054 3.996 4.148 . 0 0 "[ . 1 . 2]" 1
152 1 103 LYS HA 1 103 LYS QG . . 3.930 2.674 2.107 3.341 . 0 0 "[ . 1 . 2]" 1
153 1 13 THR HA 1 13 THR MG . . 3.270 2.533 1.981 3.205 . 0 0 "[ . 1 . 2]" 1
154 1 59 ILE HA 1 111 LEU HG . . 4.090 2.062 1.833 2.480 . 0 0 "[ . 1 . 2]" 1
155 1 65 LEU QD 1 85 ILE QG . . 3.420 2.881 2.654 3.291 . 0 0 "[ . 1 . 2]" 1
156 1 84 ALA MB 1 85 ILE QG . . 3.510 3.191 2.974 3.518 0.008 7 0 "[ . 1 . 2]" 1
157 1 85 ILE QG 1 88 LEU QD . . 3.900 3.675 2.979 3.942 0.042 12 0 "[ . 1 . 2]" 1
158 1 85 ILE QG 1 88 LEU QB . . 4.560 4.523 4.205 4.646 0.086 1 0 "[ . 1 . 2]" 1
159 1 23 LEU HG 1 33 LEU HA . . 5.080 5.014 4.466 5.112 0.032 14 0 "[ . 1 . 2]" 1
160 1 19 SER HB2 1 24 THR MG . . 3.810 2.923 1.976 3.646 . 0 0 "[ . 1 . 2]" 1
161 1 19 SER HA 1 24 THR MG . . 3.830 3.011 2.066 3.575 . 0 0 "[ . 1 . 2]" 1
162 1 24 THR HA 1 24 THR MG . . 3.230 2.322 2.264 2.389 . 0 0 "[ . 1 . 2]" 1
163 1 19 SER HB3 1 24 THR MG . . 3.810 2.286 1.891 3.358 . 0 0 "[ . 1 . 2]" 1
164 1 104 THR MG 1 107 ASN HA . . 4.690 3.938 3.727 4.104 . 0 0 "[ . 1 . 2]" 1
165 1 89 ARG HA 1 92 LEU QD . . 4.630 3.760 3.196 4.371 . 0 0 "[ . 1 . 2]" 1
166 1 83 VAL HA 1 83 VAL MG1 . . 3.460 2.343 2.282 2.405 . 0 0 "[ . 1 . 2]" 1
167 1 83 VAL HA 1 83 VAL MG2 . . 3.460 2.373 2.268 2.433 . 0 0 "[ . 1 . 2]" 1
168 1 113 ALA MB 1 116 ALA MB . . 2.920 2.493 1.949 2.939 0.019 15 0 "[ . 1 . 2]" 1
169 1 12 LEU QD 1 13 THR HB . . 5.230 5.051 4.555 5.323 0.093 8 0 "[ . 1 . 2]" 1
170 1 66 LEU QB 1 81 VAL QG . . 3.530 1.870 1.714 2.020 . 0 0 "[ . 1 . 2]" 1
171 1 88 LEU HA 1 88 LEU QD . . 3.330 2.138 1.938 2.835 . 0 0 "[ . 1 . 2]" 1
172 1 72 VAL QG 1 73 THR MG . . 2.920 2.771 2.229 3.073 0.153 12 0 "[ . 1 . 2]" 1
173 1 70 ARG QB 1 72 VAL QG . . 3.840 1.998 1.813 2.390 . 0 0 "[ . 1 . 2]" 1
174 1 44 ALA HA 1 69 LEU QD . . 4.030 2.640 2.117 3.151 . 0 0 "[ . 1 . 2]" 1
175 1 69 LEU QD 1 70 ARG QD . . 4.660 4.241 2.918 4.738 0.078 16 0 "[ . 1 . 2]" 1
176 1 72 VAL HA 1 72 VAL QG . . 2.880 2.097 1.946 2.442 . 0 0 "[ . 1 . 2]" 1
177 1 39 VAL HA 1 39 VAL MG1 . . 3.190 2.329 2.201 2.506 . 0 0 "[ . 1 . 2]" 1
178 1 72 VAL QG 1 74 TYR HB2 . . 4.310 2.884 1.914 3.483 . 0 0 "[ . 1 . 2]" 1
179 1 45 ASP HB3 1 88 LEU QD . . 3.660 2.116 1.895 2.378 . 0 0 "[ . 1 . 2]" 1
180 1 68 ASN HB2 1 69 LEU QD . . 4.820 4.732 4.359 4.895 0.075 17 0 "[ . 1 . 2]" 1
181 1 81 VAL HA 1 81 VAL QG . . 3.080 2.076 1.980 2.125 . 0 0 "[ . 1 . 2]" 1
182 1 72 VAL QG 1 73 THR HA . . 4.670 4.144 3.597 4.443 . 0 0 "[ . 1 . 2]" 1
183 1 59 ILE MD 1 105 VAL MG2 . . 2.960 2.083 1.740 2.657 . 0 0 "[ . 1 . 2]" 1
184 1 44 ALA MB 1 69 LEU QD . . 3.280 2.441 2.042 2.791 . 0 0 "[ . 1 . 2]" 1
185 1 41 LEU QD 1 46 PHE HA . . 3.880 3.054 2.400 3.542 . 0 0 "[ . 1 . 2]" 1
186 1 62 ARG HA 1 81 VAL QG . . 3.530 2.509 2.052 2.966 . 0 0 "[ . 1 . 2]" 1
187 1 25 ILE MD 1 25 ILE MG . . 3.180 2.496 2.118 2.846 . 0 0 "[ . 1 . 2]" 1
188 1 28 VAL HA 1 28 VAL MG2 . . 3.190 2.338 2.237 2.446 . 0 0 "[ . 1 . 2]" 1
189 1 59 ILE HA 1 105 VAL MG2 . . 4.590 4.365 4.130 4.651 0.061 20 0 "[ . 1 . 2]" 1
190 1 81 VAL QG 1 82 ASP QB . . 4.540 3.940 3.441 4.302 . 0 0 "[ . 1 . 2]" 1
191 1 78 ASP QB 1 81 VAL QG . . 3.790 3.236 2.863 3.622 . 0 0 "[ . 1 . 2]" 1
192 1 41 LEU QD 1 88 LEU HG . . 4.750 3.481 2.210 4.563 . 0 0 "[ . 1 . 2]" 1
193 1 68 ASN HB3 1 69 LEU QD . . 4.820 3.923 3.303 4.731 . 0 0 "[ . 1 . 2]" 1
194 1 39 VAL MG1 1 40 ALA HA . . 4.670 4.025 3.853 4.225 . 0 0 "[ . 1 . 2]" 1
195 1 40 ALA HA 1 41 LEU QD . . 5.040 4.244 2.970 4.744 . 0 0 "[ . 1 . 2]" 1
196 1 48 LEU QB 1 69 LEU QD . . 3.810 2.443 1.948 2.987 . 0 0 "[ . 1 . 2]" 1
197 1 41 LEU QD 1 88 LEU QB . . 3.880 3.803 3.507 3.938 0.058 20 0 "[ . 1 . 2]" 1
198 1 59 ILE HB 1 105 VAL MG2 . . 4.210 4.164 3.784 4.299 0.089 15 0 "[ . 1 . 2]" 1
199 1 66 LEU HA 1 81 VAL QG . . 3.110 2.722 2.339 3.086 . 0 0 "[ . 1 . 2]" 1
200 1 81 VAL QG 1 85 ILE QG . . 3.740 2.294 2.033 2.533 . 0 0 "[ . 1 . 2]" 1
201 1 48 LEU HA 1 69 LEU QD . . 3.330 2.533 1.991 3.281 . 0 0 "[ . 1 . 2]" 1
202 1 33 LEU MD2 1 36 GLY HA3 . . 4.890 3.632 3.335 4.425 . 0 0 "[ . 1 . 2]" 1
203 1 33 LEU MD2 1 36 GLY HA2 . . 4.890 2.157 1.922 2.993 . 0 0 "[ . 1 . 2]" 1
204 1 59 ILE QG 1 60 MET HA . . 4.960 4.232 3.518 4.725 . 0 0 "[ . 1 . 2]" 1
205 1 60 MET HA 1 65 LEU QD . . 5.500 4.885 4.321 5.441 . 0 0 "[ . 1 . 2]" 1
206 1 51 GLU QB 1 65 LEU QD . . 3.970 2.996 2.713 3.362 . 0 0 "[ . 1 . 2]" 1
207 1 65 LEU QD 1 85 ILE MG . . 4.740 4.450 4.266 4.766 0.026 1 0 "[ . 1 . 2]" 1
208 1 51 GLU QG 1 65 LEU QD . . 4.270 3.565 2.503 4.283 0.013 11 0 "[ . 1 . 2]" 1
209 1 65 LEU QD 1 85 ILE MD . . 2.690 2.623 2.266 2.737 0.047 9 0 "[ . 1 . 2]" 1
210 1 24 THR HB 1 33 LEU MD2 . . 4.790 3.185 2.665 3.705 . 0 0 "[ . 1 . 2]" 1
211 1 49 LEU HA 1 49 LEU QD . . 3.540 2.389 1.937 3.451 . 0 0 "[ . 1 . 2]" 1
212 1 111 LEU HA 1 111 LEU MD1 . . 4.370 3.761 3.660 3.796 . 0 0 "[ . 1 . 2]" 1
213 1 111 LEU HA 1 111 LEU MD2 . . 4.370 2.292 1.952 2.850 . 0 0 "[ . 1 . 2]" 1
214 1 25 ILE MD 1 53 ALA MB . . 3.820 1.956 1.709 2.281 . 0 0 "[ . 1 . 2]" 1
215 1 23 LEU MD1 1 25 ILE MD . . 4.130 4.146 3.980 4.190 0.060 15 0 "[ . 1 . 2]" 1
216 1 25 ILE MD 1 49 LEU QD . . 4.190 2.887 1.916 3.379 . 0 0 "[ . 1 . 2]" 1
217 1 85 ILE MG 1 88 LEU QD . . 4.530 4.036 3.610 4.363 . 0 0 "[ . 1 . 2]" 1
218 1 48 LEU QD 1 85 ILE MG . . 4.180 4.084 3.816 4.216 0.036 11 0 "[ . 1 . 2]" 1
219 1 50 TRP HA 1 53 ALA MB . . 3.960 3.755 3.540 3.980 0.020 8 0 "[ . 1 . 2]" 1
220 1 53 ALA MB 1 56 ALA MB . . 3.760 3.781 3.461 3.850 0.090 8 0 "[ . 1 . 2]" 1
221 1 18 ILE MD 1 25 ILE MD . . 3.470 2.552 2.073 2.853 . 0 0 "[ . 1 . 2]" 1
222 1 18 ILE MD 1 18 ILE MG . . 3.130 2.152 1.956 2.429 . 0 0 "[ . 1 . 2]" 1
223 1 48 LEU QD 1 85 ILE MD . . 4.060 3.275 2.235 3.795 . 0 0 "[ . 1 . 2]" 1
224 1 85 ILE HA 1 85 ILE MD . . 3.860 3.497 2.075 3.881 0.021 16 0 "[ . 1 . 2]" 1
225 1 81 VAL QG 1 85 ILE MD . . 3.690 2.148 1.777 3.383 . 0 0 "[ . 1 . 2]" 1
226 1 85 ILE MD 1 85 ILE MG . . 3.050 2.026 1.845 2.388 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE MD 1 54 THR MG . . 4.240 4.186 3.835 4.289 0.049 1 0 "[ . 1 . 2]" 1
228 1 54 THR HA 1 54 THR MG . . 3.370 3.150 3.107 3.206 . 0 0 "[ . 1 . 2]" 1
229 1 54 THR MG 1 55 HIS HA . . 4.310 3.329 3.173 3.597 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE MG 1 54 THR MG . . 5.340 5.187 4.823 5.352 0.012 12 0 "[ . 1 . 2]" 1
231 1 23 LEU MD2 1 25 ILE MD . . 4.130 2.480 2.146 2.810 . 0 0 "[ . 1 . 2]" 1
232 1 100 TYR H 1 101 ARG H . . 3.410 3.291 2.380 3.541 0.131 3 0 "[ . 1 . 2]" 1
233 1 35 GLY H 1 36 GLY H . . 3.370 2.541 2.447 2.616 . 0 0 "[ . 1 . 2]" 1
234 1 24 THR H 1 33 LEU H . . 3.710 2.652 2.485 2.800 . 0 0 "[ . 1 . 2]" 1
235 1 60 MET H 1 61 ASP H . . 4.370 4.284 4.176 4.355 . 0 0 "[ . 1 . 2]" 1
236 1 103 LYS H 1 113 ALA H . . 4.410 3.755 3.269 4.262 . 0 0 "[ . 1 . 2]" 1
237 1 32 VAL H 1 33 LEU H . . 4.610 4.461 4.426 4.512 . 0 0 "[ . 1 . 2]" 1
238 1 26 ASP H 1 31 GLN H . . 3.570 3.332 3.015 3.555 . 0 0 "[ . 1 . 2]" 1
239 1 34 LEU H 1 35 GLY H . . 4.480 4.192 4.118 4.264 . 0 0 "[ . 1 . 2]" 1
240 1 22 SER H 1 23 LEU H . . 3.890 2.138 1.810 2.755 . 0 0 "[ . 1 . 2]" 1
241 1 105 VAL H 1 106 ARG H . . 4.660 4.549 4.514 4.597 . 0 0 "[ . 1 . 2]" 1
242 1 45 ASP H 1 46 PHE H . . 3.100 2.809 2.674 2.954 . 0 0 "[ . 1 . 2]" 1
243 1 36 GLY H 1 37 GLU H . . 2.870 2.397 2.248 2.615 . 0 0 "[ . 1 . 2]" 1
244 1 34 LEU H 1 36 GLY H . . 4.150 3.651 3.438 3.934 . 0 0 "[ . 1 . 2]" 1
245 1 46 PHE H 1 47 ASP H . . 3.230 2.638 2.508 2.748 . 0 0 "[ . 1 . 2]" 1
246 1 40 ALA H 1 41 LEU H . . 4.560 4.431 4.350 4.497 . 0 0 "[ . 1 . 2]" 1
247 1 42 SER H 1 43 THR H . . 4.700 4.641 4.634 4.645 . 0 0 "[ . 1 . 2]" 1
248 1 88 LEU H 1 89 ARG H . . 3.880 2.779 2.612 2.843 . 0 0 "[ . 1 . 2]" 1
249 1 18 ILE H 1 19 SER H . . 4.540 4.447 4.399 4.512 . 0 0 "[ . 1 . 2]" 1
250 1 89 ARG H 1 90 LYS H . . 3.400 2.657 2.562 2.791 . 0 0 "[ . 1 . 2]" 1
251 1 58 GLN H 1 59 ILE H . . 4.700 4.473 4.316 4.592 . 0 0 "[ . 1 . 2]" 1
252 1 81 VAL H 1 82 ASP H . . 3.070 2.953 2.757 3.033 . 0 0 "[ . 1 . 2]" 1
253 1 80 SER H 1 81 VAL H . . 3.680 2.679 2.563 2.812 . 0 0 "[ . 1 . 2]" 1
254 1 17 THR H 1 18 ILE H . . 4.690 4.558 4.453 4.627 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE H 1 25 ILE H . . 4.060 4.018 3.839 4.093 0.033 1 0 "[ . 1 . 2]" 1
256 1 60 MET H 1 110 TYR H . . 3.440 3.237 2.881 3.471 0.031 10 0 "[ . 1 . 2]" 1
257 1 105 VAL H 1 108 LYS H . . 4.990 4.018 3.798 4.248 . 0 0 "[ . 1 . 2]" 1
258 1 109 GLY H 1 110 TYR H . . 4.870 4.438 4.326 4.506 . 0 0 "[ . 1 . 2]" 1
259 1 53 ALA H 1 54 THR H . . 3.300 2.739 2.471 2.896 . 0 0 "[ . 1 . 2]" 1
260 1 53 ALA H 1 55 HIS H . . 4.330 3.980 3.908 4.116 . 0 0 "[ . 1 . 2]" 1
261 1 77 MET H 1 78 ASP H . . 3.150 3.033 2.782 3.144 . 0 0 "[ . 1 . 2]" 1
262 1 87 ARG H 1 88 LEU H . . 3.120 2.574 2.453 2.726 . 0 0 "[ . 1 . 2]" 1
263 1 79 ARG H 1 80 SER H . . 3.390 3.005 2.935 3.065 . 0 0 "[ . 1 . 2]" 1
264 1 12 LEU H 1 13 THR H . . 4.580 3.900 2.832 4.606 0.026 19 0 "[ . 1 . 2]" 1
265 1 62 ARG H 1 63 ASP H . . 3.220 2.920 2.577 3.097 . 0 0 "[ . 1 . 2]" 1
266 1 107 ASN H 1 108 LYS H . . 3.220 2.979 2.941 3.007 . 0 0 "[ . 1 . 2]" 1
267 1 57 GLY H 1 58 GLN H . . 3.500 3.014 2.660 3.287 . 0 0 "[ . 1 . 2]" 1
268 1 41 LEU H 1 42 SER H . . 4.490 4.335 4.245 4.417 . 0 0 "[ . 1 . 2]" 1
269 1 90 LYS H 1 91 LYS H . . 3.090 2.838 2.673 2.922 . 0 0 "[ . 1 . 2]" 1
270 1 91 LYS H 1 92 LEU H . . 3.220 2.280 2.227 2.335 . 0 0 "[ . 1 . 2]" 1
271 1 73 THR H 1 74 TYR H . . 4.250 2.573 2.319 2.923 . 0 0 "[ . 1 . 2]" 1
272 1 77 MET H 1 79 ARG H . . 5.390 5.037 4.898 5.192 . 0 0 "[ . 1 . 2]" 1
273 1 43 THR H 1 44 ALA H . . 3.380 3.162 3.077 3.200 . 0 0 "[ . 1 . 2]" 1
274 1 70 ARG H 1 71 GLY H . . 3.190 2.647 2.199 3.449 0.259 16 0 "[ . 1 . 2]" 1
275 1 72 VAL H 1 73 THR H . . 4.690 4.514 4.457 4.593 . 0 0 "[ . 1 . 2]" 1
276 1 28 VAL H 1 30 ARG H . . 3.750 3.583 3.462 3.673 . 0 0 "[ . 1 . 2]" 1
277 1 28 VAL H 1 29 ASN H . . 2.860 2.615 2.560 2.658 . 0 0 "[ . 1 . 2]" 1
278 1 96 ALA H 1 97 THR H . . 3.050 2.635 2.366 3.039 . 0 0 "[ . 1 . 2]" 1
279 1 16 LYS H 1 17 THR H . . 4.200 2.376 1.863 2.916 . 0 0 "[ . 1 . 2]" 1
280 1 63 ASP H 1 64 ALA H . . 2.740 2.714 2.521 2.779 0.039 14 0 "[ . 1 . 2]" 1
281 1 62 ARG H 1 64 ALA H . . 4.260 4.088 3.994 4.209 . 0 0 "[ . 1 . 2]" 1
282 1 50 TRP H 1 51 GLU H . . 3.250 2.974 2.893 3.107 . 0 0 "[ . 1 . 2]" 1
283 1 68 ASN H 1 70 ARG H . . 4.690 4.210 3.899 4.432 . 0 0 "[ . 1 . 2]" 1
284 1 48 LEU H 1 49 LEU H . . 3.110 2.887 2.770 2.993 . 0 0 "[ . 1 . 2]" 1
285 1 83 VAL H 1 84 ALA H . . 3.030 2.826 2.769 2.863 . 0 0 "[ . 1 . 2]" 1
286 1 52 LEU H 1 53 ALA H . . 3.130 2.853 2.726 2.952 . 0 0 "[ . 1 . 2]" 1
287 1 47 ASP H 1 48 LEU H . . 3.210 2.625 2.462 2.780 . 0 0 "[ . 1 . 2]" 1
288 1 61 ASP H 1 65 LEU H . . 4.800 4.665 4.092 4.858 0.058 14 0 "[ . 1 . 2]" 1
289 1 30 ARG H 1 31 GLN H . . 3.120 2.936 2.800 3.138 0.018 8 0 "[ . 1 . 2]" 1
290 1 29 ASN H 1 31 GLN H . . 4.360 4.071 3.755 4.354 . 0 0 "[ . 1 . 2]" 1
291 1 76 GLY H 1 77 MET H . . 3.370 2.648 2.486 2.733 . 0 0 "[ . 1 . 2]" 1
292 1 31 GLN H 1 32 VAL H . . 4.630 4.416 4.335 4.462 . 0 0 "[ . 1 . 2]" 1
293 1 43 THR H 1 45 ASP H . . 4.690 4.496 4.325 4.655 . 0 0 "[ . 1 . 2]" 1
294 1 97 THR H 1 98 GLU H . . 3.000 2.584 1.906 2.886 . 0 0 "[ . 1 . 2]" 1
295 1 42 SER H 1 45 ASP H . . 4.380 4.268 4.156 4.382 0.002 8 0 "[ . 1 . 2]" 1
296 1 96 ALA H 1 98 GLU H . . 4.510 4.005 3.159 4.587 0.077 20 0 "[ . 1 . 2]" 1
297 1 71 GLY H 1 72 VAL H . . 3.160 2.431 2.090 3.095 . 0 0 "[ . 1 . 2]" 1
298 1 44 ALA H 1 45 ASP H . . 3.220 2.888 2.792 2.996 . 0 0 "[ . 1 . 2]" 1
299 1 65 LEU H 1 67 LYS H . . 3.930 3.693 3.517 3.887 . 0 0 "[ . 1 . 2]" 1
300 1 69 LEU H 1 70 ARG H . . 3.100 2.678 2.355 2.863 . 0 0 "[ . 1 . 2]" 1
301 1 67 LYS H 1 68 ASN H . . 3.030 2.711 2.534 2.803 . 0 0 "[ . 1 . 2]" 1
302 1 68 ASN H 1 69 LEU H . . 3.180 2.349 2.204 2.436 . 0 0 "[ . 1 . 2]" 1
303 1 108 LYS H 1 109 GLY H . . 2.720 2.048 1.920 2.170 . 0 0 "[ . 1 . 2]" 1
304 1 66 LEU H 1 67 LYS H . . 3.160 2.749 2.685 2.833 . 0 0 "[ . 1 . 2]" 1
305 1 105 VAL H 1 109 GLY H . . 4.010 3.729 3.199 4.036 0.026 11 0 "[ . 1 . 2]" 1
306 1 34 LEU H 1 37 GLU H . . 3.620 3.414 3.264 3.652 0.032 14 0 "[ . 1 . 2]" 1
307 1 84 ALA H 1 85 ILE H . . 3.210 2.849 2.684 2.975 . 0 0 "[ . 1 . 2]" 1
308 1 37 GLU H 1 38 ASN H . . 4.460 4.451 4.431 4.467 0.007 14 0 "[ . 1 . 2]" 1
309 1 54 THR H 1 55 HIS H . . 3.190 2.832 2.758 2.897 . 0 0 "[ . 1 . 2]" 1
310 1 54 THR H 1 56 ALA H . . 4.650 4.619 4.503 4.715 0.065 4 0 "[ . 1 . 2]" 1
311 1 82 ASP H 1 84 ALA H . . 4.490 4.261 4.156 4.331 . 0 0 "[ . 1 . 2]" 1
312 1 90 LYS H 1 92 LEU H . . 4.560 4.060 3.906 4.273 . 0 0 "[ . 1 . 2]" 1
313 1 15 HIS HD2 1 16 LYS H . . 4.830 4.134 2.361 4.848 0.018 4 0 "[ . 1 . 2]" 1
314 1 92 LEU H 1 93 LEU H . . 3.130 2.745 2.578 2.799 . 0 0 "[ . 1 . 2]" 1
315 1 93 LEU H 1 94 ASP H . . 4.000 3.383 2.685 3.628 . 0 0 "[ . 1 . 2]" 1
316 1 15 HIS H 1 15 HIS HD2 . . 4.640 3.434 2.253 4.531 . 0 0 "[ . 1 . 2]" 1
317 1 55 HIS H 1 56 ALA H . . 3.100 2.978 2.845 3.083 . 0 0 "[ . 1 . 2]" 1
318 1 56 ALA H 1 57 GLY H . . 4.650 4.639 4.625 4.643 . 0 0 "[ . 1 . 2]" 1
319 1 115 HIS H 1 116 ALA H . . 3.600 2.371 2.153 2.563 . 0 0 "[ . 1 . 2]" 1
320 1 113 ALA H 1 116 ALA H . . 4.650 4.482 3.943 4.682 0.032 10 0 "[ . 1 . 2]" 1
321 1 19 SER HA 1 25 ILE H . . 3.610 2.880 2.734 3.205 . 0 0 "[ . 1 . 2]" 1
322 1 26 ASP HA 1 28 VAL H . . 4.010 3.782 3.507 4.018 0.008 6 0 "[ . 1 . 2]" 1
323 1 19 SER HA 1 20 PHE H . . 3.220 2.272 2.139 2.632 . 0 0 "[ . 1 . 2]" 1
324 1 110 TYR HA 1 111 LEU H . . 2.870 2.207 2.138 2.333 . 0 0 "[ . 1 . 2]" 1
325 1 105 VAL H 1 110 TYR HA . . 3.560 2.900 2.464 3.590 0.030 2 0 "[ . 1 . 2]" 1
326 1 23 LEU HA 1 24 THR H . . 2.730 2.244 2.203 2.387 . 0 0 "[ . 1 . 2]" 1
327 1 34 LEU HA 1 36 GLY H . . 3.990 3.480 3.306 3.580 . 0 0 "[ . 1 . 2]" 1
328 1 34 LEU HA 1 35 GLY H . . 2.890 2.148 2.143 2.173 . 0 0 "[ . 1 . 2]" 1
329 1 33 LEU HA 1 34 LEU H . . 2.630 2.145 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
330 1 33 LEU HA 1 37 GLU H . . 4.770 4.647 4.521 4.774 0.004 12 0 "[ . 1 . 2]" 1
331 1 33 LEU HA 1 39 VAL H . . 3.700 3.196 2.887 3.409 . 0 0 "[ . 1 . 2]" 1
332 1 41 LEU HA 1 42 SER H . . 2.720 2.214 2.153 2.325 . 0 0 "[ . 1 . 2]" 1
333 1 24 THR HA 1 25 ILE H . . 2.820 2.164 2.144 2.205 . 0 0 "[ . 1 . 2]" 1
334 1 34 LEU H 1 38 ASN HA . . 3.810 3.442 3.242 3.555 . 0 0 "[ . 1 . 2]" 1
335 1 38 ASN HA 1 39 VAL H . . 2.780 2.247 2.206 2.266 . 0 0 "[ . 1 . 2]" 1
336 1 37 GLU H 1 38 ASN HA . . 5.070 5.087 5.006 5.150 0.080 14 0 "[ . 1 . 2]" 1
337 1 60 MET HA 1 61 ASP H . . 2.410 2.162 2.141 2.205 . 0 0 "[ . 1 . 2]" 1
338 1 61 ASP HA 1 110 TYR H . . 4.130 4.065 3.573 4.184 0.054 13 0 "[ . 1 . 2]" 1
339 1 61 ASP HA 1 62 ARG H . . 2.760 2.301 2.211 2.488 . 0 0 "[ . 1 . 2]" 1
340 1 61 ASP HA 1 63 ASP H . . 4.650 4.522 4.311 4.670 0.020 4 0 "[ . 1 . 2]" 1
341 1 111 LEU HA 1 112 PHE H . . 3.180 2.288 2.173 2.470 . 0 0 "[ . 1 . 2]" 1
342 1 112 PHE HA 1 113 ALA H . . 2.930 2.407 2.217 2.657 . 0 0 "[ . 1 . 2]" 1
343 1 68 ASN HA 1 69 LEU H . . 3.520 3.502 3.448 3.530 0.010 4 0 "[ . 1 . 2]" 1
344 1 17 THR HA 1 18 ILE H . . 2.980 2.539 2.415 2.653 . 0 0 "[ . 1 . 2]" 1
345 1 32 VAL HA 1 39 VAL H . . 5.180 4.948 4.778 5.039 . 0 0 "[ . 1 . 2]" 1
346 1 34 LEU H 1 37 GLU HA . . 5.230 4.890 4.795 5.007 . 0 0 "[ . 1 . 2]" 1
347 1 37 GLU HA 1 38 ASN H . . 2.550 2.215 2.156 2.355 . 0 0 "[ . 1 . 2]" 1
348 1 55 HIS HA 1 56 ALA H . . 3.110 2.775 2.743 2.821 . 0 0 "[ . 1 . 2]" 1
349 1 58 GLN HA 1 59 ILE H . . 2.690 2.195 2.153 2.393 . 0 0 "[ . 1 . 2]" 1
350 1 91 LYS H 1 92 LEU HA . . 5.180 4.987 4.949 5.018 . 0 0 "[ . 1 . 2]" 1
351 1 18 ILE HA 1 19 SER H . . 2.530 2.186 2.163 2.268 . 0 0 "[ . 1 . 2]" 1
352 1 20 PHE HA 1 21 GLY H . . 3.010 2.308 2.144 2.658 . 0 0 "[ . 1 . 2]" 1
353 1 75 ASP HA 1 76 GLY H . . 3.510 2.547 2.212 3.461 . 0 0 "[ . 1 . 2]" 1
354 1 108 LYS HA 1 109 GLY H . . 3.560 3.268 3.101 3.434 . 0 0 "[ . 1 . 2]" 1
355 1 42 SER HA 1 43 THR H . . 2.680 2.292 2.256 2.362 . 0 0 "[ . 1 . 2]" 1
356 1 40 ALA HA 1 41 LEU H . . 2.400 2.148 2.142 2.169 . 0 0 "[ . 1 . 2]" 1
357 1 77 MET H 1 77 MET HA . . 2.940 2.900 2.274 2.947 0.007 12 0 "[ . 1 . 2]" 1
358 1 77 MET HA 1 78 ASP H . . 3.190 2.751 2.615 2.801 . 0 0 "[ . 1 . 2]" 1
359 1 14 PRO HA 1 15 HIS H . . 2.860 2.303 2.151 2.630 . 0 0 "[ . 1 . 2]" 1
360 1 79 ARG HA 1 83 VAL H . . 4.610 4.561 4.276 4.636 0.026 3 0 "[ . 1 . 2]" 1
361 1 12 LEU HA 1 13 THR H . . 2.730 2.441 2.139 2.755 0.025 8 0 "[ . 1 . 2]" 1
362 1 79 ARG HA 1 82 ASP H . . 4.240 4.005 3.813 4.115 . 0 0 "[ . 1 . 2]" 1
363 1 63 ASP HA 1 66 LEU H . . 4.170 3.994 3.702 4.185 0.015 14 0 "[ . 1 . 2]" 1
364 1 107 ASN H 1 107 ASN HA . . 2.700 2.309 2.302 2.315 . 0 0 "[ . 1 . 2]" 1
365 1 104 THR HA 1 111 LEU H . . 4.200 3.176 2.756 3.469 . 0 0 "[ . 1 . 2]" 1
366 1 104 THR HA 1 105 VAL H . . 2.750 2.245 2.163 2.309 . 0 0 "[ . 1 . 2]" 1
367 1 42 SER H 1 42 SER HB2 . . 3.800 2.309 2.073 2.814 . 0 0 "[ . 1 . 2]" 1
368 1 36 GLY HA2 1 37 GLU H . . 3.520 3.375 3.321 3.434 . 0 0 "[ . 1 . 2]" 1
369 1 44 ALA HA 1 47 ASP H . . 3.530 3.400 3.253 3.490 . 0 0 "[ . 1 . 2]" 1
370 1 109 GLY HA2 1 110 TYR H . . 3.320 3.022 2.958 3.066 . 0 0 "[ . 1 . 2]" 1
371 1 56 ALA HA 1 57 GLY H . . 3.010 2.332 2.223 2.349 . 0 0 "[ . 1 . 2]" 1
372 1 72 VAL HA 1 73 THR H . . 2.650 2.578 2.429 2.675 0.025 12 0 "[ . 1 . 2]" 1
373 1 11 THR H 1 11 THR HB . . 3.780 3.069 2.580 3.706 . 0 0 "[ . 1 . 2]" 1
374 1 55 HIS H 1 56 ALA HA . . 4.950 4.532 4.355 4.684 . 0 0 "[ . 1 . 2]" 1
375 1 90 LYS H 1 90 LYS HA . . 2.860 2.739 2.702 2.795 . 0 0 "[ . 1 . 2]" 1
376 1 56 ALA HA 1 58 GLN H . . 3.930 3.416 3.094 3.748 . 0 0 "[ . 1 . 2]" 1
377 1 39 VAL HA 1 40 ALA H . . 2.420 2.153 2.141 2.172 . 0 0 "[ . 1 . 2]" 1
378 1 82 ASP HA 1 85 ILE H . . 4.080 3.769 3.555 4.038 . 0 0 "[ . 1 . 2]" 1
379 1 13 THR H 1 13 THR HB . . 4.070 3.449 2.688 3.901 . 0 0 "[ . 1 . 2]" 1
380 1 13 THR H 1 13 THR HG1 . . 4.370 3.557 1.945 4.297 . 0 0 "[ . 1 . 2]" 1
381 1 90 LYS HA 1 93 LEU H . . 4.220 4.217 3.960 4.309 0.089 17 0 "[ . 1 . 2]" 1
382 1 43 THR HA 1 47 ASP H . . 4.750 4.322 4.119 4.448 . 0 0 "[ . 1 . 2]" 1
383 1 43 THR H 1 43 THR HA . . 2.720 2.687 2.675 2.697 . 0 0 "[ . 1 . 2]" 1
384 1 43 THR HA 1 46 PHE H . . 4.040 3.689 3.541 3.960 . 0 0 "[ . 1 . 2]" 1
385 1 42 SER H 1 42 SER HB3 . . 3.800 3.242 2.290 3.591 . 0 0 "[ . 1 . 2]" 1
386 1 104 THR H 1 104 THR HB . . 2.630 2.600 2.381 2.736 0.106 3 0 "[ . 1 . 2]" 1
387 1 105 VAL HA 1 106 ARG H . . 2.640 2.419 2.370 2.446 . 0 0 "[ . 1 . 2]" 1
388 1 27 PRO HA 1 28 VAL H . . 3.560 3.511 3.423 3.554 . 0 0 "[ . 1 . 2]" 1
389 1 66 LEU HA 1 68 ASN H . . 4.050 3.647 3.404 3.871 . 0 0 "[ . 1 . 2]" 1
390 1 67 LYS HA 1 70 ARG H . . 3.930 3.909 3.689 3.978 0.048 13 0 "[ . 1 . 2]" 1
391 1 17 THR HB 1 26 ASP H . . 4.850 4.654 4.470 4.881 0.031 15 0 "[ . 1 . 2]" 1
392 1 35 GLY QA 1 36 GLY H . . 3.180 2.915 2.890 2.923 . 0 0 "[ . 1 . 2]" 1
393 1 17 THR HB 1 18 ILE H . . 3.190 2.168 1.936 2.414 . 0 0 "[ . 1 . 2]" 1
394 1 93 LEU H 1 93 LEU HA . . 2.940 2.868 2.854 2.884 . 0 0 "[ . 1 . 2]" 1
395 1 10 GLY QA 1 11 THR H . . 2.800 2.396 2.132 2.796 . 0 0 "[ . 1 . 2]" 1
396 1 24 THR H 1 24 THR HB . . 3.140 2.793 2.678 2.865 . 0 0 "[ . 1 . 2]" 1
397 1 93 LEU HA 1 94 ASP H . . 3.560 2.702 2.542 3.207 . 0 0 "[ . 1 . 2]" 1
398 1 24 THR HB 1 33 LEU H . . 3.790 3.286 2.938 3.686 . 0 0 "[ . 1 . 2]" 1
399 1 88 LEU HA 1 92 LEU H . . 4.530 4.190 3.950 4.410 . 0 0 "[ . 1 . 2]" 1
400 1 50 TRP HA 1 53 ALA H . . 4.400 4.230 4.012 4.391 . 0 0 "[ . 1 . 2]" 1
401 1 106 ARG HA 1 108 LYS H . . 4.180 4.135 4.026 4.196 0.016 12 0 "[ . 1 . 2]" 1
402 1 59 ILE HA 1 60 MET H . . 2.870 2.169 2.140 2.215 . 0 0 "[ . 1 . 2]" 1
403 1 106 ARG HA 1 107 ASN H . . 2.720 2.277 2.244 2.301 . 0 0 "[ . 1 . 2]" 1
404 1 54 THR H 1 54 THR HB . . 3.340 2.284 2.152 2.594 . 0 0 "[ . 1 . 2]" 1
405 1 83 VAL HA 1 87 ARG H . . 4.400 4.344 4.194 4.425 0.025 9 0 "[ . 1 . 2]" 1
406 1 115 HIS H 1 115 HIS HB2 . . 3.740 2.383 2.099 2.969 . 0 0 "[ . 1 . 2]" 1
407 1 89 ARG H 1 89 ARG QD . . 4.030 4.188 4.066 4.451 0.421 15 0 "[ . 1 . 2]" 1
408 1 54 THR HB 1 55 HIS H . . 4.060 3.759 3.627 3.978 . 0 0 "[ . 1 . 2]" 1
409 1 89 ARG QD 1 92 LEU H . . 5.500 5.123 4.774 5.573 0.073 7 0 "[ . 1 . 2]" 1
410 1 36 GLY HA3 1 37 GLU H . . 3.520 3.163 3.077 3.233 . 0 0 "[ . 1 . 2]" 1
411 1 85 ILE HA 1 88 LEU H . . 3.770 3.419 3.262 3.572 . 0 0 "[ . 1 . 2]" 1
412 1 109 GLY HA3 1 110 TYR H . . 3.320 2.204 2.182 2.240 . 0 0 "[ . 1 . 2]" 1
413 1 46 PHE H 1 46 PHE HB2 . . 3.160 2.472 2.076 2.881 . 0 0 "[ . 1 . 2]" 1
414 1 15 HIS QB 1 16 LYS H . . 3.920 3.630 2.255 3.956 0.036 17 0 "[ . 1 . 2]" 1
415 1 106 ARG H 1 106 ARG QD . . 4.280 3.451 2.113 4.311 0.031 14 0 "[ . 1 . 2]" 1
416 1 115 HIS H 1 115 HIS HB3 . . 3.740 3.328 2.632 3.683 . 0 0 "[ . 1 . 2]" 1
417 1 15 HIS H 1 15 HIS QB . . 3.380 2.744 2.282 3.335 . 0 0 "[ . 1 . 2]" 1
418 1 79 ARG H 1 79 ARG QD . . 4.270 3.697 2.006 4.280 0.010 5 0 "[ . 1 . 2]" 1
419 1 112 PHE H 1 112 PHE HB2 . . 3.910 2.376 2.088 3.592 . 0 0 "[ . 1 . 2]" 1
420 1 107 ASN H 1 107 ASN QB . . 3.320 2.918 2.708 3.277 . 0 0 "[ . 1 . 2]" 1
421 1 107 ASN QB 1 108 LYS H . . 4.070 3.846 3.820 3.878 . 0 0 "[ . 1 . 2]" 1
422 1 46 PHE H 1 46 PHE HB3 . . 3.160 2.693 2.227 3.251 0.091 16 0 "[ . 1 . 2]" 1
423 1 30 ARG HA 1 31 GLN H . . 3.070 2.749 2.619 2.901 . 0 0 "[ . 1 . 2]" 1
424 1 61 ASP QB 1 63 ASP H . . 4.400 3.196 2.540 4.032 . 0 0 "[ . 1 . 2]" 1
425 1 61 ASP QB 1 62 ARG H . . 3.440 2.989 2.377 3.448 0.008 7 0 "[ . 1 . 2]" 1
426 1 50 TRP QB 1 51 GLU H . . 3.820 2.444 2.242 2.717 . 0 0 "[ . 1 . 2]" 1
427 1 50 TRP H 1 50 TRP QB . . 3.050 2.161 2.062 2.270 . 0 0 "[ . 1 . 2]" 1
428 1 61 ASP H 1 61 ASP QB . . 3.200 2.384 2.061 2.738 . 0 0 "[ . 1 . 2]" 1
429 1 68 ASN H 1 68 ASN HB2 . . 3.640 3.217 2.744 3.627 . 0 0 "[ . 1 . 2]" 1
430 1 42 SER H 1 45 ASP HB2 . . 3.830 2.644 2.486 2.743 . 0 0 "[ . 1 . 2]" 1
431 1 44 ALA H 1 47 ASP QB . . 5.500 4.872 4.613 5.243 . 0 0 "[ . 1 . 2]" 1
432 1 47 ASP QB 1 48 LEU H . . 3.420 2.708 2.358 3.361 . 0 0 "[ . 1 . 2]" 1
433 1 47 ASP H 1 47 ASP QB . . 2.980 2.199 2.050 2.543 . 0 0 "[ . 1 . 2]" 1
434 1 68 ASN HB2 1 69 LEU H . . 4.440 4.160 3.947 4.326 . 0 0 "[ . 1 . 2]" 1
435 1 45 ASP H 1 45 ASP HB2 . . 3.750 2.350 2.216 2.552 . 0 0 "[ . 1 . 2]" 1
436 1 110 TYR HB2 1 111 LEU H . . 4.500 3.989 2.997 4.438 . 0 0 "[ . 1 . 2]" 1
437 1 78 ASP QB 1 79 ARG H . . 3.770 3.544 2.986 3.690 . 0 0 "[ . 1 . 2]" 1
438 1 63 ASP QB 1 64 ALA H . . 2.930 2.761 2.594 2.876 . 0 0 "[ . 1 . 2]" 1
439 1 82 ASP H 1 82 ASP QB . . 2.820 2.173 2.049 2.374 . 0 0 "[ . 1 . 2]" 1
440 1 78 ASP QB 1 81 VAL H . . 5.120 4.414 4.085 4.974 . 0 0 "[ . 1 . 2]" 1
441 1 81 VAL H 1 82 ASP QB . . 5.480 4.581 4.400 4.691 . 0 0 "[ . 1 . 2]" 1
442 1 82 ASP QB 1 84 ALA H . . 4.900 4.541 4.444 4.682 . 0 0 "[ . 1 . 2]" 1
443 1 78 ASP H 1 78 ASP QB . . 2.820 2.512 2.144 2.763 . 0 0 "[ . 1 . 2]" 1
444 1 110 TYR H 1 110 TYR HB2 . . 3.870 2.906 2.234 3.908 0.038 20 0 "[ . 1 . 2]" 1
445 1 75 ASP QB 1 76 GLY H . . 4.060 2.426 1.930 3.552 . 0 0 "[ . 1 . 2]" 1
446 1 63 ASP H 1 63 ASP QB . . 2.640 2.277 2.058 2.624 . 0 0 "[ . 1 . 2]" 1
447 1 82 ASP QB 1 85 ILE H . . 5.500 5.127 4.931 5.286 . 0 0 "[ . 1 . 2]" 1
448 1 68 ASN H 1 68 ASN HB3 . . 3.640 2.259 2.116 2.434 . 0 0 "[ . 1 . 2]" 1
449 1 75 ASP H 1 75 ASP QB . . 2.990 2.580 2.056 2.829 . 0 0 "[ . 1 . 2]" 1
450 1 68 ASN HB3 1 69 LEU H . . 4.440 3.165 2.662 3.761 . 0 0 "[ . 1 . 2]" 1
451 1 30 ARG H 1 30 ARG QD . . 3.870 3.548 2.650 3.918 0.048 8 0 "[ . 1 . 2]" 1
452 1 82 ASP QB 1 83 VAL H . . 3.180 2.262 2.086 2.410 . 0 0 "[ . 1 . 2]" 1
453 1 29 ASN HB2 1 31 GLN H . . 4.530 4.183 3.784 4.543 0.013 14 0 "[ . 1 . 2]" 1
454 1 94 ASP H 1 94 ASP HB2 . . 3.700 2.648 2.117 3.633 . 0 0 "[ . 1 . 2]" 1
455 1 42 SER H 1 45 ASP HB3 . . 3.830 3.810 3.681 3.856 0.026 13 0 "[ . 1 . 2]" 1
456 1 77 MET H 1 77 MET QG . . 3.180 2.782 1.932 3.198 0.018 13 0 "[ . 1 . 2]" 1
457 1 112 PHE H 1 112 PHE HB3 . . 3.910 3.391 2.390 3.596 . 0 0 "[ . 1 . 2]" 1
458 1 77 MET QG 1 78 ASP H . . 4.880 4.455 3.820 4.767 . 0 0 "[ . 1 . 2]" 1
459 1 45 ASP H 1 45 ASP HB3 . . 3.750 3.561 3.516 3.593 . 0 0 "[ . 1 . 2]" 1
460 1 51 GLU H 1 51 GLU QG . . 4.050 3.498 2.255 4.084 0.034 17 0 "[ . 1 . 2]" 1
461 1 53 ALA HA 1 55 HIS H . . 4.560 4.041 3.867 4.358 . 0 0 "[ . 1 . 2]" 1
462 1 29 ASN HB3 1 31 GLN H . . 3.900 3.025 2.570 3.746 . 0 0 "[ . 1 . 2]" 1
463 1 92 LEU H 1 92 LEU QB . . 3.730 2.343 2.121 2.509 . 0 0 "[ . 1 . 2]" 1
464 1 110 TYR H 1 110 TYR HB3 . . 3.870 3.423 2.399 3.924 0.054 19 0 "[ . 1 . 2]" 1
465 1 110 TYR HB3 1 111 LEU H . . 4.500 3.488 2.888 4.466 . 0 0 "[ . 1 . 2]" 1
466 1 29 ASN HB3 1 30 ARG H . . 4.190 3.599 3.395 3.833 . 0 0 "[ . 1 . 2]" 1
467 1 32 VAL HB 1 39 VAL H . . 4.650 4.146 3.746 4.367 . 0 0 "[ . 1 . 2]" 1
468 1 32 VAL HB 1 33 LEU H . . 4.340 3.046 2.886 4.201 . 0 0 "[ . 1 . 2]" 1
469 1 58 GLN H 1 58 GLN QB . . 2.730 2.345 2.094 2.554 . 0 0 "[ . 1 . 2]" 1
470 1 37 GLU QB 1 38 ASN H . . 3.450 3.146 2.706 3.407 . 0 0 "[ . 1 . 2]" 1
471 1 58 GLN QB 1 59 ILE H . . 3.790 3.268 2.434 3.667 . 0 0 "[ . 1 . 2]" 1
472 1 83 VAL H 1 83 VAL HB . . 2.910 2.605 2.563 2.690 . 0 0 "[ . 1 . 2]" 1
473 1 81 VAL H 1 81 VAL HB . . 2.990 2.478 2.231 2.738 . 0 0 "[ . 1 . 2]" 1
474 1 88 LEU H 1 88 LEU QB . . 3.180 2.323 2.064 2.643 . 0 0 "[ . 1 . 2]" 1
475 1 72 VAL HB 1 74 TYR H . . 4.370 2.460 2.000 3.751 . 0 0 "[ . 1 . 2]" 1
476 1 83 VAL HB 1 84 ALA H . . 3.090 2.523 2.428 2.632 . 0 0 "[ . 1 . 2]" 1
477 1 37 GLU H 1 37 GLU QB . . 2.900 2.452 2.262 2.730 . 0 0 "[ . 1 . 2]" 1
478 1 94 ASP H 1 94 ASP HB3 . . 3.700 3.468 2.829 3.729 0.029 18 0 "[ . 1 . 2]" 1
479 1 72 VAL HB 1 73 THR H . . 3.490 2.488 1.935 3.207 . 0 0 "[ . 1 . 2]" 1
480 1 72 VAL H 1 72 VAL HB . . 3.710 3.203 2.800 3.659 . 0 0 "[ . 1 . 2]" 1
481 1 60 MET QB 1 110 TYR H . . 5.040 3.599 2.934 4.756 . 0 0 "[ . 1 . 2]" 1
482 1 28 VAL HB 1 29 ASN H . . 2.850 2.562 2.418 2.802 . 0 0 "[ . 1 . 2]" 1
483 1 28 VAL H 1 28 VAL HB . . 3.620 2.496 2.410 2.598 . 0 0 "[ . 1 . 2]" 1
484 1 60 MET QB 1 61 ASP H . . 3.910 3.644 3.187 3.967 0.057 7 0 "[ . 1 . 2]" 1
485 1 81 VAL HB 1 82 ASP H . . 3.450 2.415 2.253 2.828 . 0 0 "[ . 1 . 2]" 1
486 1 60 MET H 1 60 MET QB . . 3.530 2.396 2.094 2.899 . 0 0 "[ . 1 . 2]" 1
487 1 23 LEU QB 1 24 THR H . . 4.220 3.367 3.173 3.492 . 0 0 "[ . 1 . 2]" 1
488 1 88 LEU QB 1 89 ARG H . . 3.100 2.518 2.328 2.721 . 0 0 "[ . 1 . 2]" 1
489 1 23 LEU H 1 23 LEU QB . . 3.420 2.401 2.240 2.676 . 0 0 "[ . 1 . 2]" 1
490 1 48 LEU H 1 48 LEU QB . . 3.050 2.096 2.027 2.190 . 0 0 "[ . 1 . 2]" 1
491 1 34 LEU H 1 34 LEU QB . . 3.220 2.509 2.424 2.641 . 0 0 "[ . 1 . 2]" 1
492 1 39 VAL HB 1 40 ALA H . . 4.450 4.155 4.009 4.390 . 0 0 "[ . 1 . 2]" 1
493 1 39 VAL H 1 39 VAL HB . . 3.140 2.620 2.373 2.725 . 0 0 "[ . 1 . 2]" 1
494 1 65 LEU H 1 65 LEU QB . . 3.190 2.266 2.249 2.287 . 0 0 "[ . 1 . 2]" 1
495 1 18 ILE H 1 25 ILE HB . . 4.140 4.046 3.801 4.158 0.018 14 0 "[ . 1 . 2]" 1
496 1 25 ILE H 1 25 ILE HB . . 3.380 2.551 2.440 2.639 . 0 0 "[ . 1 . 2]" 1
497 1 49 LEU H 1 49 LEU QB . . 2.900 2.349 2.187 2.669 . 0 0 "[ . 1 . 2]" 1
498 1 52 LEU QB 1 53 ALA H . . 3.410 2.446 2.225 3.006 . 0 0 "[ . 1 . 2]" 1
499 1 85 ILE H 1 85 ILE HB . . 2.930 2.513 2.343 2.638 . 0 0 "[ . 1 . 2]" 1
500 1 49 LEU QB 1 50 TRP H . . 3.380 2.619 2.390 3.288 . 0 0 "[ . 1 . 2]" 1
501 1 67 LYS H 1 67 LYS HB2 . . 3.130 2.344 2.133 2.603 . 0 0 "[ . 1 . 2]" 1
502 1 67 LYS H 1 67 LYS HB3 . . 3.130 2.739 2.442 3.032 . 0 0 "[ . 1 . 2]" 1
503 1 70 ARG H 1 70 ARG QB . . 2.800 2.616 2.408 3.002 0.202 14 0 "[ . 1 . 2]" 1
504 1 70 ARG QB 1 71 GLY H . . 3.340 2.087 1.893 3.844 0.504 16 1 "[ . 1 .+ 2]" 1
505 1 15 HIS H 1 16 LYS QB . . 5.190 4.436 3.623 5.187 . 0 0 "[ . 1 . 2]" 1
506 1 93 LEU H 1 93 LEU QB . . 3.780 2.374 2.076 2.915 . 0 0 "[ . 1 . 2]" 1
507 1 70 ARG QB 1 72 VAL H . . 3.920 2.491 2.329 3.034 . 0 0 "[ . 1 . 2]" 1
508 1 93 LEU QB 1 94 ASP H . . 4.050 4.016 3.882 4.048 . 0 0 "[ . 1 . 2]" 1
509 1 41 LEU H 1 41 LEU HG . . 3.720 3.339 2.834 3.722 0.002 5 0 "[ . 1 . 2]" 1
510 1 16 LYS H 1 16 LYS QB . . 3.790 2.476 2.051 3.116 . 0 0 "[ . 1 . 2]" 1
511 1 69 LEU H 1 69 LEU QB . . 2.690 2.525 2.398 2.651 . 0 0 "[ . 1 . 2]" 1
512 1 98 GLU H 1 98 GLU QB . . 3.290 2.883 2.394 3.348 0.058 4 0 "[ . 1 . 2]" 1
513 1 103 LYS QB 1 104 THR H . . 3.630 2.490 2.116 3.223 . 0 0 "[ . 1 . 2]" 1
514 1 79 ARG H 1 79 ARG QB . . 3.100 2.358 2.078 2.660 . 0 0 "[ . 1 . 2]" 1
515 1 106 ARG H 1 106 ARG QB . . 2.860 2.236 2.044 2.624 . 0 0 "[ . 1 . 2]" 1
516 1 103 LYS H 1 103 LYS QB . . 3.880 2.372 2.115 2.834 . 0 0 "[ . 1 . 2]" 1
517 1 66 LEU H 1 66 LEU QB . . 2.740 2.519 2.067 2.697 . 0 0 "[ . 1 . 2]" 1
518 1 79 ARG QB 1 80 SER H . . 3.550 2.613 2.350 3.285 . 0 0 "[ . 1 . 2]" 1
519 1 33 LEU H 1 33 LEU QB . . 3.330 2.522 2.480 2.595 . 0 0 "[ . 1 . 2]" 1
520 1 59 ILE H 1 59 ILE HB . . 2.960 2.664 2.439 2.894 . 0 0 "[ . 1 . 2]" 1
521 1 31 GLN QB 1 32 VAL H . . 3.770 2.890 2.565 3.590 . 0 0 "[ . 1 . 2]" 1
522 1 59 ILE HB 1 60 MET H . . 4.360 4.226 4.066 4.384 0.024 12 0 "[ . 1 . 2]" 1
523 1 108 LYS H 1 108 LYS QB . . 3.360 2.421 2.278 2.538 . 0 0 "[ . 1 . 2]" 1
524 1 33 LEU QB 1 34 LEU H . . 3.880 3.778 3.724 3.843 . 0 0 "[ . 1 . 2]" 1
525 1 29 ASN H 1 31 GLN QB . . 5.220 5.140 4.818 5.257 0.037 4 0 "[ . 1 . 2]" 1
526 1 62 ARG H 1 62 ARG QG . . 3.260 1.944 1.828 2.287 . 0 0 "[ . 1 . 2]" 1
527 1 24 THR H 1 33 LEU QB . . 3.990 3.584 3.312 3.836 . 0 0 "[ . 1 . 2]" 1
528 1 31 GLN H 1 31 GLN QB . . 3.250 2.646 2.514 2.747 . 0 0 "[ . 1 . 2]" 1
529 1 12 LEU H 1 12 LEU QB . . 2.870 2.396 2.028 2.922 0.052 12 0 "[ . 1 . 2]" 1
530 1 91 LYS H 1 91 LYS QG . . 3.040 2.501 1.921 3.024 . 0 0 "[ . 1 . 2]" 1
531 1 70 ARG QG 1 72 VAL H . . 4.730 4.324 2.916 4.926 0.196 16 0 "[ . 1 . 2]" 1
532 1 18 ILE H 1 18 ILE HB . . 3.790 3.704 3.670 3.772 . 0 0 "[ . 1 . 2]" 1
533 1 18 ILE HB 1 19 SER H . . 3.250 3.062 2.733 3.179 . 0 0 "[ . 1 . 2]" 1
534 1 70 ARG H 1 70 ARG QG . . 2.870 2.437 1.802 2.891 0.021 16 0 "[ . 1 . 2]" 1
535 1 70 ARG QG 1 71 GLY H . . 4.060 3.601 1.838 4.532 0.472 16 0 "[ . 1 . 2]" 1
536 1 93 LEU HG 1 94 ASP H . . 4.970 4.643 3.857 5.020 0.050 3 0 "[ . 1 . 2]" 1
537 1 105 VAL HB 1 106 ARG H . . 3.080 2.368 2.287 2.498 . 0 0 "[ . 1 . 2]" 1
538 1 89 ARG H 1 90 LYS QG . . 5.080 4.850 4.159 5.059 . 0 0 "[ . 1 . 2]" 1
539 1 68 ASN H 1 69 LEU HG . . 3.920 3.815 3.530 3.966 0.046 17 0 "[ . 1 . 2]" 1
540 1 34 LEU HG 1 35 GLY H . . 4.350 3.307 2.577 4.387 0.037 17 0 "[ . 1 . 2]" 1
541 1 90 LYS H 1 90 LYS QG . . 3.340 2.887 2.602 3.326 . 0 0 "[ . 1 . 2]" 1
542 1 30 ARG H 1 30 ARG HB2 . . 4.170 3.515 3.212 3.942 . 0 0 "[ . 1 . 2]" 1
543 1 96 ALA H 1 96 ALA MB . . 2.500 2.176 2.042 2.289 . 0 0 "[ . 1 . 2]" 1
544 1 67 LYS H 1 67 LYS QG . . 4.010 3.912 3.740 4.002 . 0 0 "[ . 1 . 2]" 1
545 1 64 ALA MB 1 65 LEU H . . 3.160 2.966 2.921 3.033 . 0 0 "[ . 1 . 2]" 1
546 1 61 ASP H 1 64 ALA MB . . 2.990 2.568 2.195 2.832 . 0 0 "[ . 1 . 2]" 1
547 1 64 ALA H 1 64 ALA MB . . 2.460 2.203 2.076 2.285 . 0 0 "[ . 1 . 2]" 1
548 1 96 ALA MB 1 97 THR H . . 3.190 2.356 2.112 2.575 . 0 0 "[ . 1 . 2]" 1
549 1 55 HIS H 1 56 ALA MB . . 4.570 4.313 4.157 4.446 . 0 0 "[ . 1 . 2]" 1
550 1 56 ALA MB 1 57 GLY H . . 3.420 2.560 2.497 2.823 . 0 0 "[ . 1 . 2]" 1
551 1 56 ALA H 1 56 ALA MB . . 2.500 2.200 2.030 2.238 . 0 0 "[ . 1 . 2]" 1
552 1 84 ALA MB 1 85 ILE H . . 3.250 2.369 2.073 2.758 . 0 0 "[ . 1 . 2]" 1
553 1 82 ASP H 1 84 ALA MB . . 4.890 4.698 4.542 4.822 . 0 0 "[ . 1 . 2]" 1
554 1 84 ALA H 1 84 ALA MB . . 2.660 2.144 2.024 2.231 . 0 0 "[ . 1 . 2]" 1
555 1 84 ALA MB 1 88 LEU H . . 4.610 4.452 4.314 4.642 0.032 1 0 "[ . 1 . 2]" 1
556 1 67 LYS QG 1 68 ASN H . . 4.430 4.159 3.762 4.399 . 0 0 "[ . 1 . 2]" 1
557 1 18 ILE H 1 18 ILE HG13 . . 3.720 2.619 2.226 2.991 . 0 0 "[ . 1 . 2]" 1
558 1 40 ALA MB 1 41 LEU H . . 3.390 3.252 3.081 3.395 0.005 7 0 "[ . 1 . 2]" 1
559 1 44 ALA MB 1 47 ASP H . . 4.640 4.526 4.389 4.625 . 0 0 "[ . 1 . 2]" 1
560 1 40 ALA H 1 40 ALA MB . . 2.530 2.199 2.092 2.298 . 0 0 "[ . 1 . 2]" 1
561 1 44 ALA MB 1 46 PHE H . . 4.710 4.419 4.214 4.653 . 0 0 "[ . 1 . 2]" 1
562 1 44 ALA H 1 44 ALA MB . . 2.590 2.065 2.023 2.155 . 0 0 "[ . 1 . 2]" 1
563 1 49 LEU H 1 49 LEU HG . . 2.940 2.499 1.901 2.845 . 0 0 "[ . 1 . 2]" 1
564 1 44 ALA MB 1 45 ASP H . . 2.980 2.419 2.200 2.616 . 0 0 "[ . 1 . 2]" 1
565 1 65 LEU HG 1 66 LEU H . . 3.690 3.574 3.306 3.694 0.004 6 0 "[ . 1 . 2]" 1
566 1 97 THR MG 1 98 GLU H . . 3.500 3.518 3.372 3.563 0.063 17 0 "[ . 1 . 2]" 1
567 1 59 ILE H 1 111 LEU HG . . 4.470 3.808 3.015 4.501 0.031 4 0 "[ . 1 . 2]" 1
568 1 96 ALA H 1 97 THR MG . . 4.140 3.964 3.576 4.223 0.083 20 0 "[ . 1 . 2]" 1
569 1 43 THR H 1 43 THR MG . . 3.190 2.675 2.329 3.069 . 0 0 "[ . 1 . 2]" 1
570 1 103 LYS H 1 113 ALA MB . . 3.900 3.913 3.834 3.962 0.062 15 0 "[ . 1 . 2]" 1
571 1 111 LEU H 1 111 LEU QB . . 3.040 2.600 2.333 2.895 . 0 0 "[ . 1 . 2]" 1
572 1 111 LEU QB 1 112 PHE H . . 3.670 3.057 2.451 3.440 . 0 0 "[ . 1 . 2]" 1
573 1 60 MET H 1 111 LEU HG . . 4.250 3.641 2.809 4.231 . 0 0 "[ . 1 . 2]" 1
574 1 97 THR H 1 97 THR MG . . 3.210 2.034 1.852 2.345 . 0 0 "[ . 1 . 2]" 1
575 1 33 LEU HG 1 36 GLY H . . 4.260 2.852 2.456 3.638 . 0 0 "[ . 1 . 2]" 1
576 1 13 THR H 1 13 THR MG . . 3.510 2.729 1.906 3.510 . 0 0 "[ . 1 . 2]" 1
577 1 18 ILE H 1 18 ILE HG12 . . 3.720 2.124 1.937 2.428 . 0 0 "[ . 1 . 2]" 1
578 1 84 ALA H 1 85 ILE QG . . 4.740 4.512 4.268 4.762 0.022 8 0 "[ . 1 . 2]" 1
579 1 11 THR H 1 11 THR MG . . 3.890 3.061 1.981 3.894 0.004 10 0 "[ . 1 . 2]" 1
580 1 33 LEU HG 1 37 GLU H . . 4.460 3.127 2.941 3.335 . 0 0 "[ . 1 . 2]" 1
581 1 11 THR MG 1 12 LEU H . . 4.060 3.303 2.288 4.060 . 0 0 "[ . 1 . 2]" 1
582 1 85 ILE H 1 85 ILE QG . . 3.070 2.139 1.937 2.468 . 0 0 "[ . 1 . 2]" 1
583 1 17 THR H 1 17 THR MG . . 3.690 2.311 2.104 2.612 . 0 0 "[ . 1 . 2]" 1
584 1 24 THR MG 1 25 ILE H . . 3.080 2.419 2.043 2.789 . 0 0 "[ . 1 . 2]" 1
585 1 20 PHE H 1 24 THR MG . . 5.080 4.513 3.519 5.043 . 0 0 "[ . 1 . 2]" 1
586 1 23 LEU HG 1 24 THR H . . 3.060 2.823 2.302 3.000 . 0 0 "[ . 1 . 2]" 1
587 1 73 THR MG 1 74 TYR H . . 3.480 2.628 1.839 3.559 0.079 12 0 "[ . 1 . 2]" 1
588 1 73 THR H 1 73 THR MG . . 3.310 2.025 1.866 2.230 . 0 0 "[ . 1 . 2]" 1
589 1 104 THR H 1 104 THR MG . . 3.930 3.773 2.749 3.852 . 0 0 "[ . 1 . 2]" 1
590 1 104 THR MG 1 107 ASN H . . 3.830 3.555 3.232 3.774 . 0 0 "[ . 1 . 2]" 1
591 1 104 THR MG 1 108 LYS H . . 4.090 3.942 3.806 4.171 0.081 7 0 "[ . 1 . 2]" 1
592 1 104 THR MG 1 106 ARG H . . 5.090 4.882 4.567 5.077 . 0 0 "[ . 1 . 2]" 1
593 1 23 LEU HG 1 33 LEU H . . 3.990 3.922 3.556 4.013 0.023 5 0 "[ . 1 . 2]" 1
594 1 32 VAL H 1 32 VAL MG1 . . 3.570 3.148 2.956 3.638 0.068 11 0 "[ . 1 . 2]" 1
595 1 104 THR MG 1 105 VAL H . . 3.300 2.164 1.910 2.773 . 0 0 "[ . 1 . 2]" 1
596 1 39 VAL H 1 39 VAL MG2 . . 3.150 2.624 2.338 2.943 . 0 0 "[ . 1 . 2]" 1
597 1 25 ILE QG 1 26 ASP H . . 4.030 4.063 4.038 4.147 0.117 19 0 "[ . 1 . 2]" 1
598 1 30 ARG H 1 30 ARG HB3 . . 4.170 3.728 2.815 4.059 . 0 0 "[ . 1 . 2]" 1
599 1 92 LEU QD 1 94 ASP H . . 5.190 4.335 3.389 4.858 . 0 0 "[ . 1 . 2]" 1
600 1 12 LEU QD 1 13 THR H . . 3.640 2.887 1.969 3.635 . 0 0 "[ . 1 . 2]" 1
601 1 66 LEU MD2 1 67 LYS H . . 4.720 3.644 2.011 4.448 . 0 0 "[ . 1 . 2]" 1
602 1 12 LEU H 1 12 LEU QD . . 3.850 3.351 2.216 3.871 0.021 7 0 "[ . 1 . 2]" 1
603 1 113 ALA H 1 116 ALA MB . . 3.730 3.090 2.654 3.576 . 0 0 "[ . 1 . 2]" 1
604 1 72 VAL QG 1 74 TYR H . . 3.600 2.514 1.722 3.181 . 0 0 "[ . 1 . 2]" 1
605 1 68 ASN H 1 69 LEU QD . . 4.940 4.231 3.632 4.399 . 0 0 "[ . 1 . 2]" 1
606 1 72 VAL H 1 72 VAL QG . . 2.650 1.891 1.733 2.025 . 0 0 "[ . 1 . 2]" 1
607 1 72 VAL QG 1 73 THR H . . 3.100 2.188 1.835 2.789 . 0 0 "[ . 1 . 2]" 1
608 1 69 LEU H 1 69 LEU QD . . 3.290 2.923 2.580 3.163 . 0 0 "[ . 1 . 2]" 1
609 1 71 GLY H 1 72 VAL QG . . 3.940 3.382 3.014 3.763 . 0 0 "[ . 1 . 2]" 1
610 1 70 ARG H 1 72 VAL QG . . 4.870 4.645 4.366 4.884 0.014 18 0 "[ . 1 . 2]" 1
611 1 66 LEU MD1 1 67 LYS H . . 4.720 2.893 1.892 4.541 . 0 0 "[ . 1 . 2]" 1
612 1 39 VAL MG1 1 40 ALA H . . 3.050 2.469 2.203 2.725 . 0 0 "[ . 1 . 2]" 1
613 1 25 ILE H 1 25 ILE MG . . 3.990 3.792 3.729 3.836 . 0 0 "[ . 1 . 2]" 1
614 1 45 ASP H 1 69 LEU QD . . 4.570 4.349 4.050 4.552 . 0 0 "[ . 1 . 2]" 1
615 1 105 VAL MG2 1 107 ASN H . . 4.830 4.308 4.098 4.543 . 0 0 "[ . 1 . 2]" 1
616 1 47 ASP H 1 69 LEU QD . . 3.980 3.770 3.481 4.117 0.137 3 0 "[ . 1 . 2]" 1
617 1 105 VAL MG2 1 108 LYS H . . 3.650 2.368 2.167 2.625 . 0 0 "[ . 1 . 2]" 1
618 1 105 VAL MG2 1 109 GLY H . . 3.640 2.207 1.905 2.562 . 0 0 "[ . 1 . 2]" 1
619 1 48 LEU H 1 69 LEU QD . . 3.050 2.608 2.341 2.906 . 0 0 "[ . 1 . 2]" 1
620 1 18 ILE MG 1 19 SER H . . 4.230 3.726 3.619 3.885 . 0 0 "[ . 1 . 2]" 1
621 1 65 LEU H 1 65 LEU QD . . 4.440 3.676 3.601 3.745 . 0 0 "[ . 1 . 2]" 1
622 1 48 LEU QD 1 85 ILE H . . 3.610 3.340 2.937 3.693 0.083 17 0 "[ . 1 . 2]" 1
623 1 48 LEU QD 1 68 ASN HD22 . . 4.800 4.291 3.206 4.808 0.008 20 0 "[ . 1 . 2]" 1
624 1 32 VAL H 1 32 VAL MG2 . . 3.570 2.189 2.011 3.248 . 0 0 "[ . 1 . 2]" 1
625 1 59 ILE QG 1 110 TYR H . . 4.360 4.093 3.041 4.410 0.050 19 0 "[ . 1 . 2]" 1
626 1 48 LEU QD 1 68 ASN HD21 . . 4.800 4.143 2.545 4.829 0.029 3 0 "[ . 1 . 2]" 1
627 1 59 ILE QG 1 60 MET H . . 3.680 3.110 2.303 3.710 0.030 4 0 "[ . 1 . 2]" 1
628 1 23 LEU MD1 1 24 THR H . . 4.330 4.300 3.881 4.376 0.046 15 0 "[ . 1 . 2]" 1
629 1 23 LEU H 1 23 LEU MD1 . . 4.770 4.200 3.841 4.511 . 0 0 "[ . 1 . 2]" 1
630 1 111 LEU MD1 1 112 PHE H . . 4.410 4.265 3.909 4.447 0.037 3 0 "[ . 1 . 2]" 1
631 1 111 LEU MD2 1 112 PHE H . . 4.410 1.958 1.826 2.327 . 0 0 "[ . 1 . 2]" 1
632 1 105 VAL H 1 105 VAL MG1 . . 3.110 2.983 2.727 3.154 0.044 17 0 "[ . 1 . 2]" 1
633 1 105 VAL MG1 1 106 ARG H . . 3.580 3.292 3.063 3.417 . 0 0 "[ . 1 . 2]" 1
634 1 59 ILE MD 1 108 LYS H . . 4.860 4.455 4.112 4.783 . 0 0 "[ . 1 . 2]" 1
635 1 59 ILE MD 1 109 GLY H . . 3.960 3.785 3.205 4.002 0.042 14 0 "[ . 1 . 2]" 1
636 1 25 ILE H 1 25 ILE MD . . 4.100 3.382 2.871 3.843 . 0 0 "[ . 1 . 2]" 1
637 1 59 ILE MD 1 110 TYR H . . 3.530 2.760 2.335 3.551 0.021 13 0 "[ . 1 . 2]" 1
638 1 25 ILE MD 1 26 ASP H . . 5.260 5.250 5.184 5.302 0.042 10 0 "[ . 1 . 2]" 1
639 1 59 ILE MD 1 61 ASP H . . 3.970 3.685 2.989 4.048 0.078 19 0 "[ . 1 . 2]" 1
640 1 59 ILE MD 1 60 MET H . . 3.240 2.366 1.983 2.819 . 0 0 "[ . 1 . 2]" 1
641 1 85 ILE H 1 85 ILE MG . . 3.980 3.758 3.710 3.769 . 0 0 "[ . 1 . 2]" 1
642 1 85 ILE MG 1 89 ARG H . . 4.310 3.850 3.596 4.011 . 0 0 "[ . 1 . 2]" 1
643 1 52 LEU H 1 53 ALA MB . . 4.750 4.503 4.358 4.653 . 0 0 "[ . 1 . 2]" 1
644 1 53 ALA H 1 53 ALA MB . . 2.780 2.200 2.078 2.254 . 0 0 "[ . 1 . 2]" 1
645 1 53 ALA MB 1 56 ALA H . . 4.710 4.696 4.515 4.772 0.062 10 0 "[ . 1 . 2]" 1
646 1 53 ALA MB 1 54 THR H . . 3.410 2.294 2.157 2.664 . 0 0 "[ . 1 . 2]" 1
647 1 18 ILE MD 1 25 ILE H . . 4.680 4.269 3.522 4.688 0.008 4 0 "[ . 1 . 2]" 1
648 1 18 ILE MD 1 19 SER H . . 5.070 4.843 4.475 5.056 . 0 0 "[ . 1 . 2]" 1
649 1 85 ILE H 1 85 ILE MD . . 3.810 3.484 3.076 3.816 0.006 8 0 "[ . 1 . 2]" 1
650 1 53 ALA H 1 54 THR MG . . 4.470 4.246 3.629 4.561 0.091 6 0 "[ . 1 . 2]" 1
651 1 54 THR MG 1 55 HIS H . . 3.860 2.131 1.991 2.227 . 0 0 "[ . 1 . 2]" 1
652 1 54 THR H 1 54 THR MG . . 3.100 2.673 2.000 2.998 . 0 0 "[ . 1 . 2]" 1
653 1 23 LEU H 1 23 LEU MD2 . . 4.770 4.430 4.269 4.577 . 0 0 "[ . 1 . 2]" 1
654 1 23 LEU MD2 1 24 THR H . . 4.330 2.441 2.104 2.734 . 0 0 "[ . 1 . 2]" 1
655 1 72 VAL QG 1 74 TYR QE . . 3.560 3.056 2.466 3.634 0.074 12 0 "[ . 1 . 2]" 1
656 1 44 ALA H 1 47 ASP H . . 5.500 4.772 4.679 4.854 . 0 0 "[ . 1 . 2]" 1
657 1 63 ASP H 1 65 LEU H . . 4.340 3.945 3.714 4.033 . 0 0 "[ . 1 . 2]" 1
658 1 45 ASP H 1 47 ASP H . . 4.310 4.269 4.140 4.328 0.018 11 0 "[ . 1 . 2]" 1
659 1 52 LEU QB 1 55 HIS H . . 5.160 5.063 4.936 5.236 0.076 15 0 "[ . 1 . 2]" 1
660 1 19 SER H 1 24 THR MG . . 5.160 4.437 3.915 4.839 . 0 0 "[ . 1 . 2]" 1
661 1 81 VAL QG 1 82 ASP H . . 4.460 2.827 2.399 3.138 . 0 0 "[ . 1 . 2]" 1
662 1 25 ILE MD 1 54 THR H . . 4.170 4.205 4.167 4.300 0.130 12 0 "[ . 1 . 2]" 1
663 1 15 HIS H 1 16 LYS H . . 4.430 2.914 1.804 4.389 . 0 0 "[ . 1 . 2]" 1
664 1 62 ARG HE 1 78 ASP QB . . 4.170 3.301 2.307 4.144 . 0 0 "[ . 1 . 2]" 1
665 1 72 VAL HB 1 74 TYR QE . . 4.440 4.201 3.688 4.476 0.036 17 0 "[ . 1 . 2]" 1
666 1 54 THR HA 1 56 ALA H . . 4.190 3.915 3.757 4.182 . 0 0 "[ . 1 . 2]" 1
667 1 62 ARG H 1 65 LEU H . . 4.980 4.563 4.482 4.698 . 0 0 "[ . 1 . 2]" 1
668 1 73 THR H 1 74 TYR QD . . 4.160 3.804 2.648 4.185 0.025 7 0 "[ . 1 . 2]" 1
669 1 17 THR MG 1 26 ASP QB . . 3.390 2.125 1.890 3.252 . 0 0 "[ . 1 . 2]" 1
670 1 18 ILE H 1 18 ILE QG . . 2.890 2.008 1.898 2.134 . 0 0 "[ . 1 . 2]" 1
671 1 18 ILE QG 1 25 ILE H . . 3.540 3.001 2.385 3.340 . 0 0 "[ . 1 . 2]" 1
672 1 18 ILE QG 1 25 ILE HB . . 3.730 2.048 1.965 2.219 . 0 0 "[ . 1 . 2]" 1
673 1 18 ILE QG 1 25 ILE MG . . 3.710 2.804 2.512 3.206 . 0 0 "[ . 1 . 2]" 1
674 1 19 SER QB 1 20 PHE H . . 4.350 2.898 2.136 3.307 . 0 0 "[ . 1 . 2]" 1
675 1 19 SER QB 1 20 PHE HA . . 4.730 4.375 3.966 4.719 . 0 0 "[ . 1 . 2]" 1
676 1 19 SER QB 1 24 THR HA . . 3.770 2.775 1.968 3.780 0.010 14 0 "[ . 1 . 2]" 1
677 1 19 SER QB 1 24 THR MG . . 3.330 2.100 1.810 2.577 . 0 0 "[ . 1 . 2]" 1
678 1 23 LEU H 1 23 LEU QD . . 4.060 3.830 3.635 4.014 . 0 0 "[ . 1 . 2]" 1
679 1 23 LEU HA 1 23 LEU QD . . 4.120 2.942 2.874 3.018 . 0 0 "[ . 1 . 2]" 1
680 1 23 LEU QD 1 24 THR H . . 2.930 2.426 2.099 2.703 . 0 0 "[ . 1 . 2]" 1
681 1 23 LEU QD 1 24 THR HB . . 4.700 4.495 4.068 4.682 . 0 0 "[ . 1 . 2]" 1
682 1 23 LEU QD 1 25 ILE MD . . 3.480 2.460 2.137 2.768 . 0 0 "[ . 1 . 2]" 1
683 1 23 LEU QD 1 32 VAL QG . . 2.830 2.200 1.726 2.607 . 0 0 "[ . 1 . 2]" 1
684 1 23 LEU QD 1 33 LEU H . . 3.770 3.186 2.648 3.592 . 0 0 "[ . 1 . 2]" 1
685 1 24 THR HB 1 33 LEU QD . . 4.060 3.135 2.646 3.586 . 0 0 "[ . 1 . 2]" 1
686 1 25 ILE MD 1 32 VAL QG . . 3.540 3.063 2.816 3.351 . 0 0 "[ . 1 . 2]" 1
687 1 26 ASP H 1 26 ASP QB . . 3.150 2.693 2.394 3.183 0.033 20 0 "[ . 1 . 2]" 1
688 1 26 ASP QB 1 31 GLN H . . 4.070 3.462 2.618 4.096 0.026 20 0 "[ . 1 . 2]" 1
689 1 28 VAL QG 1 29 ASN H . . 3.170 3.159 3.060 3.199 0.029 12 0 "[ . 1 . 2]" 1
690 1 28 VAL QG 1 29 ASN HB2 . . 4.110 3.834 3.466 4.117 0.007 6 0 "[ . 1 . 2]" 1
691 1 28 VAL QG 1 30 ARG H . . 4.450 4.327 4.192 4.409 . 0 0 "[ . 1 . 2]" 1
692 1 30 ARG H 1 30 ARG QB . . 3.400 3.109 2.750 3.338 . 0 0 "[ . 1 . 2]" 1
693 1 30 ARG H 1 30 ARG QG . . 3.620 2.860 2.334 3.651 0.031 10 0 "[ . 1 . 2]" 1
694 1 30 ARG HA 1 30 ARG QG . . 3.680 2.661 2.171 3.408 . 0 0 "[ . 1 . 2]" 1
695 1 31 GLN HA 1 32 VAL QG . . 4.030 3.316 3.172 3.909 . 0 0 "[ . 1 . 2]" 1
696 1 31 GLN QG 1 32 VAL H . . 3.400 2.538 1.954 3.189 . 0 0 "[ . 1 . 2]" 1
697 1 32 VAL H 1 32 VAL QG . . 3.070 2.143 1.987 3.030 . 0 0 "[ . 1 . 2]" 1
698 1 32 VAL QG 1 33 LEU H . . 3.460 3.255 2.205 3.411 . 0 0 "[ . 1 . 2]" 1
699 1 32 VAL QG 1 39 VAL H . . 3.120 2.385 2.087 2.980 . 0 0 "[ . 1 . 2]" 1
700 1 32 VAL QG 1 39 VAL HB . . 3.630 2.022 1.883 2.375 . 0 0 "[ . 1 . 2]" 1
701 1 32 VAL QG 1 49 LEU QB . . 3.760 3.148 2.749 3.647 . 0 0 "[ . 1 . 2]" 1
702 1 33 LEU HA 1 33 LEU QD . . 3.570 3.014 2.646 3.135 . 0 0 "[ . 1 . 2]" 1
703 1 33 LEU QD 1 34 LEU H . . 3.510 3.439 3.028 3.578 0.068 4 0 "[ . 1 . 2]" 1
704 1 33 LEU QD 1 35 GLY H . . 4.190 3.529 3.097 4.199 0.009 14 0 "[ . 1 . 2]" 1
705 1 33 LEU QD 1 36 GLY H . . 3.840 2.258 1.915 2.899 . 0 0 "[ . 1 . 2]" 1
706 1 33 LEU QD 1 36 GLY QA . . 3.560 2.059 1.893 2.807 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU QD 1 37 GLU H . . 3.580 3.333 3.166 3.532 . 0 0 "[ . 1 . 2]" 1
708 1 33 LEU QD 1 37 GLU HA . . 3.910 3.032 2.608 3.336 . 0 0 "[ . 1 . 2]" 1
709 1 33 LEU QD 1 38 ASN H . . 3.340 3.185 2.570 3.346 0.006 15 0 "[ . 1 . 2]" 1
710 1 33 LEU QD 1 38 ASN HA . . 3.510 3.298 2.730 3.500 . 0 0 "[ . 1 . 2]" 1
711 1 33 LEU QD 1 38 ASN QB . . 4.300 3.511 2.814 4.243 . 0 0 "[ . 1 . 2]" 1
712 1 34 LEU HA 1 34 LEU QD . . 3.560 2.580 1.922 3.195 . 0 0 "[ . 1 . 2]" 1
713 1 34 LEU QD 1 35 GLY QA . . 4.230 3.240 2.308 3.712 . 0 0 "[ . 1 . 2]" 1
714 1 36 GLY H 1 36 GLY QA . . 2.580 2.311 2.281 2.330 . 0 0 "[ . 1 . 2]" 1
715 1 37 GLU HA 1 37 GLU QG . . 3.240 2.247 2.023 2.527 . 0 0 "[ . 1 . 2]" 1
716 1 38 ASN H 1 38 ASN QB . . 2.660 2.428 2.232 2.643 . 0 0 "[ . 1 . 2]" 1
717 1 38 ASN QB 1 39 VAL H . . 4.230 2.873 2.746 3.553 . 0 0 "[ . 1 . 2]" 1
718 1 41 LEU QD 1 45 ASP QB . . 3.340 2.309 1.872 2.785 . 0 0 "[ . 1 . 2]" 1
719 1 42 SER H 1 42 SER QB . . 3.090 2.209 2.052 2.543 . 0 0 "[ . 1 . 2]" 1
720 1 42 SER H 1 45 ASP QB . . 3.280 2.598 2.449 2.687 . 0 0 "[ . 1 . 2]" 1
721 1 42 SER HA 1 45 ASP QB . . 4.340 4.164 4.095 4.270 . 0 0 "[ . 1 . 2]" 1
722 1 42 SER QB 1 45 ASP H . . 3.850 2.737 2.534 2.980 . 0 0 "[ . 1 . 2]" 1
723 1 43 THR HA 1 46 PHE QB . . 3.770 2.810 2.525 3.025 . 0 0 "[ . 1 . 2]" 1
724 1 44 ALA H 1 45 ASP QB . . 5.250 4.674 4.512 4.831 . 0 0 "[ . 1 . 2]" 1
725 1 45 ASP H 1 45 ASP QB . . 2.970 2.318 2.194 2.501 . 0 0 "[ . 1 . 2]" 1
726 1 45 ASP QB 1 46 PHE H . . 3.700 2.628 2.377 2.896 . 0 0 "[ . 1 . 2]" 1
727 1 46 PHE H 1 46 PHE QB . . 2.760 2.148 2.053 2.243 . 0 0 "[ . 1 . 2]" 1
728 1 46 PHE QB 1 47 ASP H . . 3.230 2.656 2.538 2.771 . 0 0 "[ . 1 . 2]" 1
729 1 48 LEU QD 1 68 ASN QD . . 3.990 3.606 2.495 4.005 0.015 7 0 "[ . 1 . 2]" 1
730 1 49 LEU H 1 68 ASN QD . . 5.090 4.877 4.567 5.107 0.017 15 0 "[ . 1 . 2]" 1
731 1 50 TRP H 1 68 ASN QD . . 4.700 4.500 4.135 4.741 0.041 15 0 "[ . 1 . 2]" 1
732 1 55 HIS H 1 55 HIS QB . . 3.500 2.378 2.224 2.985 . 0 0 "[ . 1 . 2]" 1
733 1 55 HIS QB 1 56 ALA H . . 4.410 3.885 3.843 4.067 . 0 0 "[ . 1 . 2]" 1
734 1 55 HIS QB 1 58 GLN QB . . 4.030 3.032 2.704 3.744 . 0 0 "[ . 1 . 2]" 1
735 1 56 ALA MB 1 57 GLY QA . . 3.900 3.523 3.463 3.619 . 0 0 "[ . 1 . 2]" 1
736 1 59 ILE H 1 111 LEU QD . . 3.440 3.080 2.592 3.457 0.017 6 0 "[ . 1 . 2]" 1
737 1 59 ILE HA 1 111 LEU QD . . 3.840 2.634 2.049 3.168 . 0 0 "[ . 1 . 2]" 1
738 1 59 ILE HB 1 111 LEU QD . . 3.540 2.159 1.888 2.548 . 0 0 "[ . 1 . 2]" 1
739 1 59 ILE QG 1 109 GLY QA . . 4.850 3.664 3.196 3.974 . 0 0 "[ . 1 . 2]" 1
740 1 59 ILE QG 1 111 LEU QD . . 4.590 3.100 1.997 3.899 . 0 0 "[ . 1 . 2]" 1
741 1 59 ILE MD 1 109 GLY QA . . 3.660 2.302 1.845 2.670 . 0 0 "[ . 1 . 2]" 1
742 1 62 ARG H 1 109 GLY QA . . 4.380 3.201 2.511 3.786 . 0 0 "[ . 1 . 2]" 1
743 1 63 ASP H 1 66 LEU QD . . 4.120 3.521 3.185 3.990 . 0 0 "[ . 1 . 2]" 1
744 1 64 ALA H 1 66 LEU QD . . 4.100 4.021 3.722 4.141 0.041 18 0 "[ . 1 . 2]" 1
745 1 65 LEU H 1 66 LEU QD . . 3.650 3.632 3.210 3.845 0.195 8 0 "[ . 1 . 2]" 1
746 1 65 LEU HG 1 66 LEU QD . . 4.980 5.047 5.018 5.107 0.127 15 0 "[ . 1 . 2]" 1
747 1 66 LEU H 1 66 LEU QD . . 3.150 2.522 2.137 2.837 . 0 0 "[ . 1 . 2]" 1
748 1 66 LEU QD 1 67 LYS H . . 3.530 2.390 1.886 2.748 . 0 0 "[ . 1 . 2]" 1
749 1 66 LEU QD 1 67 LYS HA . . 2.910 2.813 2.178 2.972 0.062 3 0 "[ . 1 . 2]" 1
750 1 66 LEU QD 1 67 LYS QG . . 4.170 3.924 3.612 4.176 0.006 8 0 "[ . 1 . 2]" 1
751 1 66 LEU QD 1 68 ASN H . . 4.550 4.345 3.638 4.581 0.031 6 0 "[ . 1 . 2]" 1
752 1 66 LEU QD 1 77 MET H . . 4.690 2.579 1.906 3.643 . 0 0 "[ . 1 . 2]" 1
753 1 66 LEU QD 1 78 ASP H . . 4.110 3.217 2.825 4.151 0.041 13 0 "[ . 1 . 2]" 1
754 1 66 LEU QD 1 79 ARG H . . 5.120 4.467 4.116 5.177 0.057 13 0 "[ . 1 . 2]" 1
755 1 67 LYS H 1 67 LYS QB . . 2.680 2.188 2.093 2.262 . 0 0 "[ . 1 . 2]" 1
756 1 68 ASN H 1 68 ASN QB . . 2.810 2.211 2.095 2.375 . 0 0 "[ . 1 . 2]" 1
757 1 68 ASN QB 1 69 LEU H . . 3.890 3.055 2.622 3.521 . 0 0 "[ . 1 . 2]" 1
758 1 70 ARG QB 1 71 GLY QA . . 4.550 3.716 3.626 4.257 . 0 0 "[ . 1 . 2]" 1
759 1 71 GLY H 1 71 GLY QA . . 2.550 2.254 2.195 2.305 . 0 0 "[ . 1 . 2]" 1
760 1 71 GLY QA 1 72 VAL QG . . 4.130 3.656 3.547 3.786 . 0 0 "[ . 1 . 2]" 1
761 1 72 VAL QG 1 74 TYR QB . . 3.770 2.826 1.902 3.346 . 0 0 "[ . 1 . 2]" 1
762 1 73 THR MG 1 74 TYR QB . . 4.710 4.081 3.720 4.391 . 0 0 "[ . 1 . 2]" 1
763 1 74 TYR H 1 74 TYR QB . . 3.030 2.431 2.146 2.634 . 0 0 "[ . 1 . 2]" 1
764 1 74 TYR QB 1 75 ASP H . . 4.230 3.382 1.921 3.827 . 0 0 "[ . 1 . 2]" 1
765 1 75 ASP HA 1 76 GLY QA . . 5.080 4.114 3.966 4.200 . 0 0 "[ . 1 . 2]" 1
766 1 82 ASP H 1 83 VAL QG . . 4.450 4.336 4.244 4.443 . 0 0 "[ . 1 . 2]" 1
767 1 83 VAL H 1 83 VAL QG . . 2.820 1.997 1.896 2.219 . 0 0 "[ . 1 . 2]" 1
768 1 83 VAL HA 1 83 VAL QG . . 2.990 2.099 2.044 2.151 . 0 0 "[ . 1 . 2]" 1
769 1 83 VAL QG 1 84 ALA H . . 3.810 3.190 3.096 3.260 . 0 0 "[ . 1 . 2]" 1
770 1 83 VAL QG 1 87 ARG H . . 4.390 4.128 4.026 4.226 . 0 0 "[ . 1 . 2]" 1
771 1 90 LYS H 1 93 LEU QD . . 4.890 4.541 3.067 4.867 . 0 0 "[ . 1 . 2]" 1
772 1 91 LYS H 1 93 LEU QD . . 4.040 4.032 3.821 4.116 0.076 3 0 "[ . 1 . 2]" 1
773 1 92 LEU H 1 93 LEU QD . . 3.780 3.766 3.685 3.997 0.217 15 0 "[ . 1 . 2]" 1
774 1 93 LEU H 1 93 LEU QD . . 3.090 1.950 1.745 3.333 0.243 18 0 "[ . 1 . 2]" 1
775 1 93 LEU HA 1 93 LEU QD . . 3.690 3.195 2.921 3.325 . 0 0 "[ . 1 . 2]" 1
776 1 93 LEU QD 1 94 ASP H . . 5.440 3.401 2.540 4.555 . 0 0 "[ . 1 . 2]" 1
777 1 93 LEU QD 1 94 ASP HA . . 4.340 3.520 3.103 4.722 0.382 18 0 "[ . 1 . 2]" 1
778 1 94 ASP H 1 94 ASP QB . . 3.160 2.485 2.088 2.768 . 0 0 "[ . 1 . 2]" 1
779 1 98 GLU H 1 98 GLU QG . . 3.590 3.201 2.307 3.680 0.090 7 0 "[ . 1 . 2]" 1
780 1 98 GLU HA 1 98 GLU QG . . 3.530 2.756 2.148 3.369 . 0 0 "[ . 1 . 2]" 1
781 1 100 TYR QB 1 101 ARG H . . 4.080 3.812 3.056 3.929 . 0 0 "[ . 1 . 2]" 1
782 1 101 ARG H 1 101 ARG QB . . 3.620 2.556 2.063 3.366 . 0 0 "[ . 1 . 2]" 1
783 1 101 ARG H 1 101 ARG QG . . 4.570 2.719 1.890 3.983 . 0 0 "[ . 1 . 2]" 1
784 1 101 ARG HA 1 101 ARG QG . . 3.720 2.575 2.029 3.422 . 0 0 "[ . 1 . 2]" 1
785 1 101 ARG QB 1 113 ALA MB . . 3.380 3.090 1.954 3.417 0.037 3 0 "[ . 1 . 2]" 1
786 1 101 ARG QG 1 113 ALA MB . . 4.160 2.975 1.878 4.182 0.022 18 0 "[ . 1 . 2]" 1
787 1 101 ARG QG 1 116 ALA MB . . 3.510 2.435 1.878 3.580 0.070 12 0 "[ . 1 . 2]" 1
788 1 101 ARG QD 1 116 ALA MB . . 3.910 2.615 1.813 3.664 . 0 0 "[ . 1 . 2]" 1
789 1 108 LYS H 1 109 GLY QA . . 4.470 4.091 4.041 4.145 . 0 0 "[ . 1 . 2]" 1
790 1 109 GLY QA 1 110 TYR H . . 2.790 2.153 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
791 1 110 TYR H 1 110 TYR QB . . 3.260 2.631 2.201 3.160 . 0 0 "[ . 1 . 2]" 1
792 1 110 TYR QB 1 111 LEU H . . 3.700 3.158 2.833 3.760 0.060 15 0 "[ . 1 . 2]" 1
793 1 111 LEU HA 1 111 LEU QD . . 3.690 2.265 1.946 2.756 . 0 0 "[ . 1 . 2]" 1
794 1 111 LEU QD 1 112 PHE H . . 3.710 1.955 1.824 2.318 . 0 0 "[ . 1 . 2]" 1
795 1 112 PHE H 1 112 PHE QB . . 3.350 2.240 2.068 2.727 . 0 0 "[ . 1 . 2]" 1
796 1 112 PHE QB 1 113 ALA H . . 4.280 2.519 1.927 3.055 . 0 0 "[ . 1 . 2]" 1
797 1 112 PHE QB 1 116 ALA MB . . 4.260 3.052 2.171 4.269 0.009 10 0 "[ . 1 . 2]" 1
798 1 115 HIS H 1 115 HIS QB . . 3.210 2.317 2.077 2.852 . 0 0 "[ . 1 . 2]" 1
799 1 45 ASP HA 1 88 LEU QD . . 5.500 2.446 2.216 2.670 . 0 0 "[ . 1 . 2]" 1
800 1 48 LEU HA 1 81 VAL QG . . 5.500 5.457 5.157 5.570 0.070 19 0 "[ . 1 . 2]" 1
801 1 48 LEU HA 1 69 LEU HG . . 5.500 4.108 3.721 4.492 . 0 0 "[ . 1 . 2]" 1
802 1 34 LEU MD2 1 92 LEU HA . . 5.500 3.635 2.865 5.515 0.015 17 0 "[ . 1 . 2]" 1
803 1 39 VAL MG2 1 92 LEU HA . . 5.500 5.287 4.634 5.505 0.005 16 0 "[ . 1 . 2]" 1
804 1 103 LYS QB 1 113 ALA MB . . 4.560 3.678 2.734 4.106 . 0 0 "[ . 1 . 2]" 1
805 1 76 GLY H 1 78 ASP H . . 5.500 4.856 4.538 5.151 . 0 0 "[ . 1 . 2]" 1
806 1 66 LEU QB 1 78 ASP H . . 5.500 5.141 4.423 5.563 0.063 14 0 "[ . 1 . 2]" 1
807 1 90 LYS H 1 93 LEU QB . . 5.500 4.596 4.211 4.837 . 0 0 "[ . 1 . 2]" 1
808 1 89 ARG QD 1 104 THR H . . 5.500 5.612 5.536 5.731 0.231 15 0 "[ . 1 . 2]" 1
809 1 53 ALA HA 1 112 PHE QD . . 5.500 5.275 4.224 5.571 0.071 17 0 "[ . 1 . 2]" 1
810 1 23 LEU MD1 1 92 LEU HA . . 4.900 4.948 4.902 5.010 0.110 5 0 "[ . 1 . 2]" 1
811 1 89 ARG QD 1 94 ASP H . . 5.500 5.594 5.553 5.654 0.154 11 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 59
_Distance_constraint_stats_list.Viol_count 293
_Distance_constraint_stats_list.Viol_total 218.342
_Distance_constraint_stats_list.Viol_max 0.178
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0373
_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 18 ILE 0.047 0.042 14 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.047 0.042 14 0 "[ . 1 . 2]"
1 26 ASP 0.199 0.026 4 0 "[ . 1 . 2]"
1 31 GLN 0.199 0.026 4 0 "[ . 1 . 2]"
1 32 VAL 0.039 0.014 7 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.121 0.015 12 0 "[ . 1 . 2]"
1 37 GLU 0.121 0.015 12 0 "[ . 1 . 2]"
1 39 VAL 0.039 0.014 7 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.106 0.041 17 0 "[ . 1 . 2]"
1 44 ALA 0.062 0.034 6 0 "[ . 1 . 2]"
1 45 ASP 0.080 0.025 16 0 "[ . 1 . 2]"
1 46 PHE 0.060 0.048 3 0 "[ . 1 . 2]"
1 47 ASP 0.197 0.041 17 0 "[ . 1 . 2]"
1 48 LEU 0.315 0.099 17 0 "[ . 1 . 2]"
1 49 LEU 0.200 0.080 6 0 "[ . 1 . 2]"
1 50 TRP 0.342 0.074 3 0 "[ . 1 . 2]"
1 51 GLU 1.699 0.139 6 0 "[ . 1 . 2]"
1 52 LEU 0.253 0.099 17 0 "[ . 1 . 2]"
1 53 ALA 0.120 0.080 6 0 "[ . 1 . 2]"
1 54 THR 0.282 0.074 3 0 "[ . 1 . 2]"
1 55 HIS 1.608 0.139 6 0 "[ . 1 . 2]"
1 62 ARG 0.034 0.023 11 0 "[ . 1 . 2]"
1 66 LEU 0.034 0.023 11 0 "[ . 1 . 2]"
1 78 ASP 0.282 0.103 17 0 "[ . 1 . 2]"
1 79 ARG 0.416 0.050 15 0 "[ . 1 . 2]"
1 80 SER 0.235 0.061 17 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASP 1.960 0.104 17 0 "[ . 1 . 2]"
1 83 VAL 0.963 0.075 3 0 "[ . 1 . 2]"
1 84 ALA 0.314 0.061 17 0 "[ . 1 . 2]"
1 85 ILE 0.911 0.071 2 0 "[ . 1 . 2]"
1 86 SER 3.619 0.127 10 0 "[ . 1 . 2]"
1 87 ARG 0.617 0.075 3 0 "[ . 1 . 2]"
1 88 LEU 0.709 0.178 15 0 "[ . 1 . 2]"
1 89 ARG 0.911 0.071 2 0 "[ . 1 . 2]"
1 90 LYS 1.942 0.127 10 0 "[ . 1 . 2]"
1 91 LYS 0.069 0.035 9 0 "[ . 1 . 2]"
1 92 LEU 0.630 0.178 15 0 "[ . 1 . 2]"
1 103 LYS 1.026 0.120 18 0 "[ . 1 . 2]"
1 111 LEU 1.026 0.120 18 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 18 ILE O 1 25 ILE H . . 2.000 1.904 1.787 2.042 0.042 14 0 "[ . 1 . 2]" 2
2 1 18 ILE O 1 25 ILE N . . 3.000 2.818 2.722 2.922 . 0 0 "[ . 1 . 2]" 2
3 1 18 ILE H 1 25 ILE O . . 2.600 2.355 2.171 2.585 . 0 0 "[ . 1 . 2]" 2
4 1 18 ILE N 1 25 ILE O . . 3.500 3.227 3.051 3.505 0.005 15 0 "[ . 1 . 2]" 2
5 1 20 PHE H 1 23 LEU O . . 2.400 2.039 1.790 2.364 . 0 0 "[ . 1 . 2]" 2
6 1 20 PHE N 1 23 LEU O . . 3.500 2.872 2.683 3.180 . 0 0 "[ . 1 . 2]" 2
7 1 24 THR H 1 33 LEU O . . 2.500 2.153 1.857 2.394 . 0 0 "[ . 1 . 2]" 2
8 1 24 THR N 1 33 LEU O . . 3.500 2.947 2.727 3.212 . 0 0 "[ . 1 . 2]" 2
9 1 24 THR O 1 33 LEU H . . 2.500 2.180 1.925 2.452 . 0 0 "[ . 1 . 2]" 2
10 1 24 THR O 1 33 LEU N . . 3.500 3.108 2.866 3.328 . 0 0 "[ . 1 . 2]" 2
11 1 26 ASP H 1 31 GLN O . . 2.500 2.493 2.257 2.526 0.026 4 0 "[ . 1 . 2]" 2
12 1 26 ASP N 1 31 GLN O . . 3.500 3.459 3.235 3.502 0.002 4 0 "[ . 1 . 2]" 2
13 1 32 VAL O 1 39 VAL H . . 2.500 1.984 1.760 2.102 . 0 0 "[ . 1 . 2]" 2
14 1 32 VAL O 1 39 VAL N . . 3.000 2.917 2.723 3.014 0.014 7 0 "[ . 1 . 2]" 2
15 1 34 LEU H 1 37 GLU O . . 2.000 2.006 1.998 2.015 0.015 12 0 "[ . 1 . 2]" 2
16 1 34 LEU N 1 37 GLU O . . 3.000 2.942 2.886 2.982 . 0 0 "[ . 1 . 2]" 2
17 1 103 LYS H 1 111 LEU O . . 2.500 2.529 2.136 2.620 0.120 18 0 "[ . 1 . 2]" 2
18 1 103 LYS N 1 111 LEU O . . 3.500 3.024 2.726 3.368 . 0 0 "[ . 1 . 2]" 2
19 1 42 SER O 1 46 PHE H . . 2.000 1.839 1.694 1.974 . 0 0 "[ . 1 . 2]" 2
20 1 42 SER O 1 46 PHE N . . 3.000 2.767 2.675 2.896 . 0 0 "[ . 1 . 2]" 2
21 1 43 THR O 1 47 ASP H . . 2.500 2.039 1.849 2.154 . 0 0 "[ . 1 . 2]" 2
22 1 43 THR O 1 47 ASP N . . 3.000 2.956 2.784 3.041 0.041 17 0 "[ . 1 . 2]" 2
23 1 44 ALA O 1 48 LEU H . . 2.000 1.915 1.784 2.034 0.034 6 0 "[ . 1 . 2]" 2
24 1 45 ASP O 1 49 LEU H . . 2.500 2.432 2.202 2.525 0.025 16 0 "[ . 1 . 2]" 2
25 1 45 ASP O 1 49 LEU N . . 3.500 3.384 3.163 3.493 . 0 0 "[ . 1 . 2]" 2
26 1 46 PHE O 1 50 TRP H . . 2.500 2.302 1.962 2.548 0.048 3 0 "[ . 1 . 2]" 2
27 1 46 PHE O 1 50 TRP N . . 3.500 3.235 2.929 3.456 . 0 0 "[ . 1 . 2]" 2
28 1 47 ASP O 1 51 GLU N . . 3.500 3.377 3.094 3.536 0.036 16 0 "[ . 1 . 2]" 2
29 1 48 LEU O 1 52 LEU H . . 2.500 1.962 1.831 2.114 . 0 0 "[ . 1 . 2]" 2
30 1 48 LEU O 1 52 LEU N . . 2.900 2.867 2.752 2.999 0.099 17 0 "[ . 1 . 2]" 2
31 1 49 LEU O 1 53 ALA H . . 2.500 1.872 1.746 2.160 . 0 0 "[ . 1 . 2]" 2
32 1 49 LEU O 1 53 ALA N . . 3.000 2.837 2.720 3.080 0.080 6 0 "[ . 1 . 2]" 2
33 1 50 TRP O 1 54 THR N . . 3.500 3.483 3.345 3.574 0.074 3 0 "[ . 1 . 2]" 2
34 1 51 GLU O 1 55 HIS H . . 2.000 2.080 2.042 2.139 0.139 6 0 "[ . 1 . 2]" 2
35 1 51 GLU O 1 55 HIS N . . 3.000 2.919 2.820 3.009 0.009 3 0 "[ . 1 . 2]" 2
36 1 62 ARG O 1 66 LEU H . . 2.000 1.918 1.789 2.023 0.023 11 0 "[ . 1 . 2]" 2
37 1 62 ARG O 1 66 LEU N . . 3.000 2.857 2.709 2.972 . 0 0 "[ . 1 . 2]" 2
38 1 78 ASP O 1 82 ASP H . . 2.000 1.941 1.784 2.103 0.103 17 0 "[ . 1 . 2]" 2
39 1 78 ASP O 1 82 ASP N . . 3.000 2.899 2.747 3.042 0.042 17 0 "[ . 1 . 2]" 2
40 1 79 ARG O 1 83 VAL H . . 2.500 2.517 2.484 2.550 0.050 15 0 "[ . 1 . 2]" 2
41 1 79 ARG O 1 83 VAL N . . 3.500 3.495 3.463 3.528 0.028 15 0 "[ . 1 . 2]" 2
42 1 80 SER O 1 84 ALA H . . 2.000 1.940 1.811 2.061 0.061 17 0 "[ . 1 . 2]" 2
43 1 80 SER O 1 84 ALA N . . 3.000 2.891 2.788 3.017 0.017 17 0 "[ . 1 . 2]" 2
44 1 81 VAL O 1 85 ILE H . . 2.000 1.786 1.722 1.942 . 0 0 "[ . 1 . 2]" 2
45 1 81 VAL O 1 85 ILE N . . 3.000 2.748 2.684 2.910 . 0 0 "[ . 1 . 2]" 2
46 1 82 ASP O 1 86 SER H . . 2.000 2.057 2.031 2.104 0.104 17 0 "[ . 1 . 2]" 2
47 1 82 ASP O 1 86 SER N . . 3.000 3.026 2.994 3.080 0.080 17 0 "[ . 1 . 2]" 2
48 1 83 VAL O 1 87 ARG H . . 2.500 2.228 2.165 2.314 . 0 0 "[ . 1 . 2]" 2
49 1 83 VAL O 1 87 ARG N . . 3.000 3.027 2.988 3.075 0.075 3 0 "[ . 1 . 2]" 2
50 1 84 ALA O 1 88 LEU H . . 2.000 1.881 1.748 2.038 0.038 12 0 "[ . 1 . 2]" 2
51 1 84 ALA O 1 88 LEU N . . 3.000 2.807 2.712 2.993 . 0 0 "[ . 1 . 2]" 2
52 1 85 ILE O 1 89 ARG H . . 2.000 2.030 1.969 2.071 0.071 2 0 "[ . 1 . 2]" 2
53 1 85 ILE O 1 89 ARG N . . 3.000 2.998 2.945 3.043 0.043 15 0 "[ . 1 . 2]" 2
54 1 86 SER O 1 90 LYS H . . 2.000 2.089 2.048 2.127 0.127 10 0 "[ . 1 . 2]" 2
55 1 86 SER O 1 90 LYS N . . 3.000 2.992 2.928 3.038 0.038 7 0 "[ . 1 . 2]" 2
56 1 87 ARG O 1 91 LYS H . . 2.500 2.240 1.911 2.535 0.035 9 0 "[ . 1 . 2]" 2
57 1 87 ARG O 1 91 LYS N . . 3.500 3.113 2.723 3.371 . 0 0 "[ . 1 . 2]" 2
58 1 88 LEU O 1 92 LEU H . . 2.000 1.982 1.779 2.178 0.178 15 0 "[ . 1 . 2]" 2
59 1 88 LEU O 1 92 LEU N . . 3.000 2.783 2.581 3.032 0.032 16 0 "[ . 1 . 2]" 2
stop_
save_
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