NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596588 |
2n79   |
25797 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n79
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 639
_Distance_constraint_stats_list.Viol_count 680
_Distance_constraint_stats_list.Viol_total 687.419
_Distance_constraint_stats_list.Viol_max 0.270
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0505
_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 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 0.764 0.155 14 0 "[ . 1 . 2]"
1 5 TYR 0.074 0.026 13 0 "[ . 1 . 2]"
1 6 LYS 0.080 0.045 13 0 "[ . 1 . 2]"
1 7 ALA 0.014 0.009 18 0 "[ . 1 . 2]"
1 8 ALA 1.403 0.137 1 0 "[ . 1 . 2]"
1 9 VAL 0.516 0.076 14 0 "[ . 1 . 2]"
1 10 GLU 0.014 0.009 18 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 1.503 0.137 1 0 "[ . 1 . 2]"
1 13 THR 0.628 0.082 4 0 "[ . 1 . 2]"
1 14 GLU 0.535 0.082 4 0 "[ . 1 . 2]"
1 15 GLU 0.111 0.052 7 0 "[ . 1 . 2]"
1 16 GLN 2.288 0.230 18 0 "[ . 1 . 2]"
1 17 LYS 1.546 0.230 18 0 "[ . 1 . 2]"
1 18 ASN 0.111 0.052 7 0 "[ . 1 . 2]"
1 19 GLU 0.346 0.096 16 0 "[ . 1 . 2]"
1 20 PHE 0.080 0.020 19 0 "[ . 1 . 2]"
1 21 LYS 0.152 0.046 2 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.366 0.069 13 0 "[ . 1 . 2]"
1 24 PHE 0.058 0.020 13 0 "[ . 1 . 2]"
1 25 ASP 0.130 0.046 2 0 "[ . 1 . 2]"
1 26 ILE 0.003 0.003 7 0 "[ . 1 . 2]"
1 27 PHE 1.280 0.133 11 0 "[ . 1 . 2]"
1 28 VAL 0.178 0.054 17 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.226 0.072 17 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.077 0.072 17 0 "[ . 1 . 2]"
1 35 SER 0.188 0.105 13 0 "[ . 1 . 2]"
1 36 ILE 0.881 0.105 13 0 "[ . 1 . 2]"
1 37 SER 0.588 0.065 17 0 "[ . 1 . 2]"
1 38 THR 1.042 0.070 16 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 1.196 0.077 6 0 "[ . 1 . 2]"
1 41 LEU 6.347 0.178 5 0 "[ . 1 . 2]"
1 42 GLY 0.864 0.085 7 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 1.820 0.202 6 0 "[ . 1 . 2]"
1 45 MET 8.328 0.270 12 0 "[ . 1 . 2]"
1 46 ARG 0.053 0.053 11 0 "[ . 1 . 2]"
1 47 MET 0.090 0.036 14 0 "[ . 1 . 2]"
1 48 LEU 0.270 0.056 9 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 3.287 0.270 12 0 "[ . 1 . 2]"
1 51 ASN 1.111 0.150 20 0 "[ . 1 . 2]"
1 52 PRO 2.452 0.150 20 0 "[ . 1 . 2]"
1 53 THR 1.693 0.096 5 0 "[ . 1 . 2]"
1 54 PRO 2.219 0.104 5 0 "[ . 1 . 2]"
1 55 GLU 0.765 0.076 20 0 "[ . 1 . 2]"
1 56 GLU 0.845 0.229 18 0 "[ . 1 . 2]"
1 57 LEU 1.731 0.118 10 0 "[ . 1 . 2]"
1 58 GLN 1.278 0.079 7 0 "[ . 1 . 2]"
1 59 GLU 0.100 0.056 10 0 "[ . 1 . 2]"
1 60 MET 2.745 0.182 10 0 "[ . 1 . 2]"
1 61 ILE 3.430 0.178 5 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.500 0.100 18 0 "[ . 1 . 2]"
1 64 VAL 0.107 0.052 2 0 "[ . 1 . 2]"
1 65 ASP 0.191 0.062 20 0 "[ . 1 . 2]"
1 66 GLU 0.259 0.066 18 0 "[ . 1 . 2]"
1 67 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 THR 0.288 0.065 17 0 "[ . 1 . 2]"
1 72 VAL 0.314 0.054 13 0 "[ . 1 . 2]"
1 73 ASP 0.005 0.005 18 0 "[ . 1 . 2]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.261 0.062 20 0 "[ . 1 . 2]"
1 77 PHE 1.319 0.156 18 0 "[ . 1 . 2]"
1 78 LEU 0.188 0.058 6 0 "[ . 1 . 2]"
1 79 VAL 0.133 0.055 20 0 "[ . 1 . 2]"
1 80 MET 1.327 0.095 14 0 "[ . 1 . 2]"
1 81 MET 0.745 0.230 20 0 "[ . 1 . 2]"
1 82 VAL 0.619 0.126 3 0 "[ . 1 . 2]"
1 83 ARG 0.215 0.045 17 0 "[ . 1 . 2]"
1 84 SER 0.382 0.076 10 0 "[ . 1 . 2]"
1 85 MET 0.055 0.023 17 0 "[ . 1 . 2]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 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 24 PHE QD 1 77 PHE QD 4.120 . 4.120 3.245 2.386 3.900 . 0 0 "[ . 1 . 2]" 1
2 1 5 TYR HA 1 5 TYR QD 2.980 . 2.980 2.432 1.814 3.006 0.026 13 0 "[ . 1 . 2]" 1
3 1 27 PHE HA 1 27 PHE QD . . 3.610 3.129 3.014 3.208 . 0 0 "[ . 1 . 2]" 1
4 1 77 PHE HA 1 77 PHE QD . . 3.980 2.355 1.996 2.814 . 0 0 "[ . 1 . 2]" 1
5 1 5 TYR QD 1 82 VAL QG . . 3.680 2.642 1.998 3.669 . 0 0 "[ . 1 . 2]" 1
6 1 24 PHE QE 1 36 ILE MD . . 4.190 2.606 2.134 3.736 . 0 0 "[ . 1 . 2]" 1
7 1 74 PHE HA 1 74 PHE QD 3.230 . 3.230 2.513 2.102 2.912 . 0 0 "[ . 1 . 2]" 1
8 1 24 PHE QD 1 36 ILE MD 4.190 . 4.190 3.293 2.456 4.007 . 0 0 "[ . 1 . 2]" 1
9 1 20 PHE HA 1 20 PHE QD 3.270 . 3.270 2.047 1.780 2.957 0.020 19 0 "[ . 1 . 2]" 1
10 1 24 PHE QD 1 28 VAL QG 4.550 . 4.550 2.146 1.807 2.913 . 0 0 "[ . 1 . 2]" 1
11 1 20 PHE QD 1 78 LEU QD . . 3.350 2.702 1.851 3.359 0.009 20 0 "[ . 1 . 2]" 1
12 1 5 TYR QE 1 83 ARG HA 4.370 . 4.370 3.496 2.218 4.382 0.012 7 0 "[ . 1 . 2]" 1
13 1 27 PHE QD 1 44 VAL QG . . 3.570 2.888 2.494 3.368 . 0 0 "[ . 1 . 2]" 1
14 1 27 PHE QD 1 36 ILE MD . . 4.150 1.959 1.761 2.203 0.039 5 0 "[ . 1 . 2]" 1
15 1 23 ALA MB 1 27 PHE QE 4.390 . 4.390 3.582 3.243 4.022 . 0 0 "[ . 1 . 2]" 1
16 1 24 PHE QE 1 28 VAL QG . . 4.080 2.613 1.967 3.170 . 0 0 "[ . 1 . 2]" 1
17 1 36 ILE H 1 72 VAL H 4.610 . 4.610 3.360 2.848 3.915 . 0 0 "[ . 1 . 2]" 1
18 1 66 GLU H 1 67 ASP H . . 4.000 2.446 2.334 2.700 . 0 0 "[ . 1 . 2]" 1
19 1 65 ASP HA 1 66 GLU H 3.360 . 3.360 2.303 2.215 2.468 . 0 0 "[ . 1 . 2]" 1
20 1 71 THR HB 1 72 VAL H 4.130 . 4.130 3.109 2.811 3.517 . 0 0 "[ . 1 . 2]" 1
21 1 66 GLU H 1 76 GLU QG 5.090 . 5.090 3.431 2.630 4.052 . 0 0 "[ . 1 . 2]" 1
22 1 72 VAL H 1 72 VAL HB 4.000 . 4.000 2.244 2.106 2.386 . 0 0 "[ . 1 . 2]" 1
23 1 73 ASP H 1 76 GLU QB 3.950 . 3.950 1.880 1.795 2.019 0.005 18 0 "[ . 1 . 2]" 1
24 1 66 GLU H 1 66 GLU QG 4.180 . 4.180 2.929 2.288 3.709 . 0 0 "[ . 1 . 2]" 1
25 1 66 GLU H 1 66 GLU QB 3.330 . 3.330 2.114 1.967 2.392 . 0 0 "[ . 1 . 2]" 1
26 1 72 VAL H 1 72 VAL QG . . 3.850 2.578 2.228 2.961 . 0 0 "[ . 1 . 2]" 1
27 1 72 VAL QG 1 73 ASP H . . 4.260 2.492 2.117 2.722 . 0 0 "[ . 1 . 2]" 1
28 1 19 GLU H 1 20 PHE H 3.400 . 3.400 2.688 2.579 2.860 . 0 0 "[ . 1 . 2]" 1
29 1 30 GLY H 1 31 ALA H 4.880 . 4.880 2.958 2.255 3.451 . 0 0 "[ . 1 . 2]" 1
30 1 18 ASN HA 1 19 GLU H . . 4.110 3.573 3.528 3.616 . 0 0 "[ . 1 . 2]" 1
31 1 31 ALA HA 1 32 GLU H . . 4.000 2.312 2.206 2.574 . 0 0 "[ . 1 . 2]" 1
32 1 30 GLY QA 1 31 ALA H 4.560 . 4.560 2.740 2.593 2.894 . 0 0 "[ . 1 . 2]" 1
33 1 19 GLU H 1 19 GLU QG . . 4.620 2.540 1.883 3.950 . 0 0 "[ . 1 . 2]" 1
34 1 19 GLU H 1 19 GLU QB 3.440 . 3.440 2.246 1.992 2.477 . 0 0 "[ . 1 . 2]" 1
35 1 31 ALA H 1 31 ALA MB . . 3.380 2.419 2.108 2.621 . 0 0 "[ . 1 . 2]" 1
36 1 28 VAL QG 1 31 ALA H 4.910 . 4.910 4.150 3.751 4.616 . 0 0 "[ . 1 . 2]" 1
37 1 14 GLU H 1 15 GLU H . . 4.230 2.786 2.682 2.887 . 0 0 "[ . 1 . 2]" 1
38 1 20 PHE H 1 21 LYS H . . 3.910 2.682 2.513 2.794 . 0 0 "[ . 1 . 2]" 1
39 1 76 GLU H 1 77 PHE H . . 3.960 2.779 2.630 2.894 . 0 0 "[ . 1 . 2]" 1
40 1 55 GLU H 1 56 GLU H 3.620 . 3.620 2.624 2.356 2.911 . 0 0 "[ . 1 . 2]" 1
41 1 56 GLU H 1 57 LEU H . . 3.660 2.336 2.218 2.735 . 0 0 "[ . 1 . 2]" 1
42 1 42 GLY H 1 43 LYS H 4.260 . 4.260 2.829 2.716 2.983 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE H 1 5 TYR H . . 4.070 2.757 2.562 2.959 . 0 0 "[ . 1 . 2]" 1
44 1 21 LYS H 1 22 ALA H . . 4.020 2.667 2.437 2.810 . 0 0 "[ . 1 . 2]" 1
45 1 20 PHE QD 1 21 LYS H 4.970 . 4.970 4.407 4.253 4.582 . 0 0 "[ . 1 . 2]" 1
46 1 47 MET H 1 48 LEU H 3.610 . 3.610 2.619 2.495 2.781 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR H 1 6 LYS H 3.680 . 3.680 2.542 2.301 2.840 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR H 1 5 TYR QD 5.070 . 5.070 3.033 2.319 4.119 . 0 0 "[ . 1 . 2]" 1
49 1 13 THR HB 1 14 GLU H 3.370 . 3.370 2.670 2.351 3.000 . 0 0 "[ . 1 . 2]" 1
50 1 18 ASN HA 1 21 LYS H . . 4.170 3.517 3.214 3.779 . 0 0 "[ . 1 . 2]" 1
51 1 13 THR HA 1 14 GLU H . . 3.280 2.386 2.261 2.548 . 0 0 "[ . 1 . 2]" 1
52 1 16 GLN HA 1 19 GLU H . . 4.680 3.469 3.183 3.661 . 0 0 "[ . 1 . 2]" 1
53 1 47 MET H 1 47 MET QG . . 4.360 3.764 2.113 3.995 . 0 0 "[ . 1 . 2]" 1
54 1 20 PHE QB 1 21 LYS H 3.970 . 3.970 2.521 2.353 2.666 . 0 0 "[ . 1 . 2]" 1
55 1 18 ASN QB 1 19 GLU H 4.330 . 4.330 3.133 3.026 3.278 . 0 0 "[ . 1 . 2]" 1
56 1 44 VAL HA 1 47 MET H 4.700 . 4.700 3.735 3.536 4.028 . 0 0 "[ . 1 . 2]" 1
57 1 74 PHE HA 1 77 PHE H 4.740 . 4.740 3.759 3.555 3.976 . 0 0 "[ . 1 . 2]" 1
58 1 77 PHE H 1 77 PHE QB 3.340 . 3.340 2.138 1.963 2.188 . 0 0 "[ . 1 . 2]" 1
59 1 42 GLY QA 1 43 LYS H 4.950 . 4.950 2.704 2.586 2.795 . 0 0 "[ . 1 . 2]" 1
60 1 5 TYR H 1 5 TYR QB . . 3.810 2.110 1.953 2.352 . 0 0 "[ . 1 . 2]" 1
61 1 14 GLU H 1 14 GLU QG 4.370 . 4.370 3.178 2.168 3.956 . 0 0 "[ . 1 . 2]" 1
62 1 14 GLU H 1 14 GLU QB 3.430 . 3.430 2.082 1.951 2.254 . 0 0 "[ . 1 . 2]" 1
63 1 21 LYS H 1 21 LYS QB . . 3.560 2.108 1.950 2.203 . 0 0 "[ . 1 . 2]" 1
64 1 47 MET H 1 47 MET QB 3.290 . 3.290 2.171 2.083 2.441 . 0 0 "[ . 1 . 2]" 1
65 1 76 GLU QB 1 77 PHE H 4.670 . 4.670 2.609 2.496 2.695 . 0 0 "[ . 1 . 2]" 1
66 1 86 LYS QB 1 87 ASP H 4.930 . 4.930 3.190 1.892 4.065 . 0 0 "[ . 1 . 2]" 1
67 1 46 ARG QB 1 47 MET H 3.710 . 3.710 2.712 2.515 2.927 . 0 0 "[ . 1 . 2]" 1
68 1 56 GLU H 1 56 GLU QG 3.090 . 3.090 2.956 2.598 3.319 0.229 18 0 "[ . 1 . 2]" 1
69 1 86 LYS H 1 86 LYS QB 3.570 . 3.570 2.628 1.931 3.282 . 0 0 "[ . 1 . 2]" 1
70 1 43 LYS H 1 43 LYS QB 3.230 . 3.230 2.130 1.982 2.296 . 0 0 "[ . 1 . 2]" 1
71 1 13 THR MG 1 14 GLU H 4.850 . 4.850 3.623 3.291 3.922 . 0 0 "[ . 1 . 2]" 1
72 1 72 VAL QG 1 77 PHE H . . 4.100 2.567 2.174 2.859 . 0 0 "[ . 1 . 2]" 1
73 1 43 LYS H 1 43 LYS QG 4.070 . 4.070 3.173 2.234 3.988 . 0 0 "[ . 1 . 2]" 1
74 1 4 ILE MG 1 5 TYR H 4.750 . 4.750 3.317 1.918 4.091 . 0 0 "[ . 1 . 2]" 1
75 1 24 PHE H 1 25 ASP H 4.070 . 4.070 2.811 2.709 2.915 . 0 0 "[ . 1 . 2]" 1
76 1 45 MET H 1 46 ARG H . . 4.000 2.764 2.548 2.938 . 0 0 "[ . 1 . 2]" 1
77 1 77 PHE H 1 78 LEU H 4.260 . 4.260 2.782 2.685 2.878 . 0 0 "[ . 1 . 2]" 1
78 1 15 GLU H 1 16 GLN H . . 3.930 2.813 2.668 2.939 . 0 0 "[ . 1 . 2]" 1
79 1 16 GLN H 1 17 LYS H . . 3.740 2.596 2.299 2.869 . 0 0 "[ . 1 . 2]" 1
80 1 43 LYS H 1 44 VAL H 4.120 . 4.120 2.613 2.495 2.711 . 0 0 "[ . 1 . 2]" 1
81 1 8 ALA H 1 9 VAL H . . 3.880 2.848 2.401 2.997 . 0 0 "[ . 1 . 2]" 1
82 1 7 ALA H 1 8 ALA H . . 3.720 2.772 2.544 2.892 . 0 0 "[ . 1 . 2]" 1
83 1 25 ASP H 1 26 ILE H . . 4.110 2.795 2.678 2.931 . 0 0 "[ . 1 . 2]" 1
84 1 41 LEU H 1 42 GLY H . . 4.580 2.777 2.683 2.933 . 0 0 "[ . 1 . 2]" 1
85 1 23 ALA H 1 24 PHE H . . 3.670 2.640 2.404 2.800 . 0 0 "[ . 1 . 2]" 1
86 1 80 MET H 1 81 MET H 4.040 . 4.040 2.569 2.430 2.830 . 0 0 "[ . 1 . 2]" 1
87 1 9 VAL H 1 10 GLU H . . 3.740 2.791 2.702 2.915 . 0 0 "[ . 1 . 2]" 1
88 1 75 ASP H 1 76 GLU H 3.620 . 3.620 2.818 2.663 2.906 . 0 0 "[ . 1 . 2]" 1
89 1 83 ARG H 1 84 SER H 3.740 . 3.740 2.605 2.394 2.708 . 0 0 "[ . 1 . 2]" 1
90 1 39 LYS H 1 40 GLU H 4.300 . 4.300 2.706 2.569 2.883 . 0 0 "[ . 1 . 2]" 1
91 1 60 MET H 1 61 ILE H 3.900 . 3.900 2.826 2.711 2.973 . 0 0 "[ . 1 . 2]" 1
92 1 22 ALA H 1 23 ALA H 3.800 . 3.800 2.823 2.760 2.907 . 0 0 "[ . 1 . 2]" 1
93 1 20 PHE H 1 20 PHE QD 4.510 . 4.510 2.940 2.287 3.411 . 0 0 "[ . 1 . 2]" 1
94 1 48 LEU H 1 50 GLN H 3.950 . 3.950 3.776 3.151 4.006 0.056 9 0 "[ . 1 . 2]" 1
95 1 74 PHE H 1 75 ASP H . . 3.970 2.830 2.724 3.028 . 0 0 "[ . 1 . 2]" 1
96 1 62 ASP H 1 63 GLU H . . 3.860 2.748 2.651 2.871 . 0 0 "[ . 1 . 2]" 1
97 1 78 LEU H 1 79 VAL H . . 4.010 2.785 2.688 2.874 . 0 0 "[ . 1 . 2]" 1
98 1 28 VAL H 1 29 GLN H 3.960 . 3.960 2.579 2.247 2.775 . 0 0 "[ . 1 . 2]" 1
99 1 26 ILE H 1 27 PHE H . . 3.730 2.848 2.779 2.932 . 0 0 "[ . 1 . 2]" 1
100 1 79 VAL H 1 80 MET H . . 3.860 2.561 2.469 2.734 . 0 0 "[ . 1 . 2]" 1
101 1 10 GLU H 1 11 GLN H 3.850 . 3.850 2.612 2.514 2.725 . 0 0 "[ . 1 . 2]" 1
102 1 24 PHE H 1 24 PHE QD 5.020 . 5.020 3.730 3.298 4.127 . 0 0 "[ . 1 . 2]" 1
103 1 73 ASP HA 1 74 PHE H 3.790 . 3.790 2.767 2.578 2.888 . 0 0 "[ . 1 . 2]" 1
104 1 36 ILE HA 1 37 SER H 3.510 . 3.510 2.272 2.211 2.325 . 0 0 "[ . 1 . 2]" 1
105 1 64 VAL HA 1 65 ASP H 4.720 . 4.720 3.516 3.456 3.577 . 0 0 "[ . 1 . 2]" 1
106 1 6 LYS HA 1 7 ALA H 4.280 . 4.280 3.566 3.533 3.583 . 0 0 "[ . 1 . 2]" 1
107 1 21 LYS HA 1 24 PHE H 4.860 . 4.860 3.496 3.146 3.877 . 0 0 "[ . 1 . 2]" 1
108 1 3 ASP HA 1 4 ILE H 3.880 . 3.880 3.537 3.374 3.610 . 0 0 "[ . 1 . 2]" 1
109 1 23 ALA HA 1 24 PHE H 5.100 . 5.100 3.574 3.527 3.597 . 0 0 "[ . 1 . 2]" 1
110 1 19 GLU HA 1 20 PHE H 5.050 . 5.050 3.561 3.503 3.594 . 0 0 "[ . 1 . 2]" 1
111 1 43 LYS HA 1 46 ARG H 4.780 . 4.780 3.554 3.223 3.781 . 0 0 "[ . 1 . 2]" 1
112 1 17 LYS HA 1 20 PHE H 4.550 . 4.550 3.658 3.444 4.065 . 0 0 "[ . 1 . 2]" 1
113 1 59 GLU HA 1 62 ASP H 4.720 . 4.720 3.497 3.229 4.027 . 0 0 "[ . 1 . 2]" 1
114 1 49 GLY QA 1 50 GLN H 4.580 . 4.580 2.767 2.673 2.964 . 0 0 "[ . 1 . 2]" 1
115 1 28 VAL HA 1 29 GLN H . . 3.970 3.537 3.490 3.586 . 0 0 "[ . 1 . 2]" 1
116 1 41 LEU HA 1 44 VAL H 4.640 . 4.640 3.228 3.056 3.536 . 0 0 "[ . 1 . 2]" 1
117 1 21 LYS QB 1 22 ALA H 3.910 . 3.910 2.474 2.348 2.721 . 0 0 "[ . 1 . 2]" 1
118 1 84 SER QB 1 85 MET H 3.950 . 3.950 3.125 2.552 3.692 . 0 0 "[ . 1 . 2]" 1
119 1 25 ASP HA 1 26 ILE H . . 4.330 3.549 3.520 3.586 . 0 0 "[ . 1 . 2]" 1
120 1 77 PHE HA 1 80 MET H 4.590 . 4.590 3.415 3.245 3.648 . 0 0 "[ . 1 . 2]" 1
121 1 80 MET HA 1 83 ARG H 4.880 . 4.880 3.700 3.440 4.008 . 0 0 "[ . 1 . 2]" 1
122 1 76 GLU H 1 76 GLU QG . . 3.490 3.212 2.791 3.482 . 0 0 "[ . 1 . 2]" 1
123 1 65 ASP H 1 76 GLU QG 3.620 . 3.620 3.573 3.303 3.682 0.062 20 0 "[ . 1 . 2]" 1
124 1 75 ASP QB 1 76 GLU H 4.140 . 4.140 2.419 2.115 3.376 . 0 0 "[ . 1 . 2]" 1
125 1 20 PHE H 1 20 PHE QB 3.440 . 3.440 2.196 1.912 2.391 . 0 0 "[ . 1 . 2]" 1
126 1 24 PHE H 1 24 PHE QB . . 3.550 2.015 1.938 2.154 . 0 0 "[ . 1 . 2]" 1
127 1 3 ASP QB 1 4 ILE H 4.260 . 4.260 3.021 2.241 3.614 . 0 0 "[ . 1 . 2]" 1
128 1 73 ASP QB 1 74 PHE H 3.620 . 3.620 2.170 1.957 2.460 . 0 0 "[ . 1 . 2]" 1
129 1 77 PHE QB 1 78 LEU H 3.880 . 3.880 2.533 2.347 2.600 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLN H 1 16 GLN QG 3.510 . 3.510 2.498 1.890 3.694 0.184 2 0 "[ . 1 . 2]" 1
131 1 25 ASP QB 1 26 ILE H 4.550 . 4.550 2.851 2.740 3.004 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL HA 1 10 GLU H 4.790 . 4.790 3.573 3.551 3.590 . 0 0 "[ . 1 . 2]" 1
133 1 56 GLU QB 1 57 LEU H 3.970 . 3.970 2.798 2.598 3.144 . 0 0 "[ . 1 . 2]" 1
134 1 65 ASP H 1 65 ASP QB 3.610 . 3.610 2.097 2.024 2.169 . 0 0 "[ . 1 . 2]" 1
135 1 39 LYS H 1 39 LYS QB 3.920 . 3.920 2.173 2.002 2.440 . 0 0 "[ . 1 . 2]" 1
136 1 6 LYS QB 1 7 ALA H 3.620 . 3.620 2.600 2.365 2.920 . 0 0 "[ . 1 . 2]" 1
137 1 6 LYS H 1 6 LYS QB 3.320 . 3.320 2.128 1.961 2.436 . 0 0 "[ . 1 . 2]" 1
138 1 36 ILE HB 1 37 SER H 4.720 . 4.720 3.984 3.338 4.180 . 0 0 "[ . 1 . 2]" 1
139 1 61 ILE H 1 61 ILE HB 3.460 . 3.460 2.154 2.069 2.360 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL H 1 9 VAL HB 3.480 . 3.480 2.339 2.116 2.434 . 0 0 "[ . 1 . 2]" 1
141 1 19 GLU QB 1 20 PHE H 3.790 . 3.790 2.955 2.411 3.586 . 0 0 "[ . 1 . 2]" 1
142 1 46 ARG H 1 46 ARG QB 3.210 . 3.210 2.025 1.928 2.301 . 0 0 "[ . 1 . 2]" 1
143 1 23 ALA MB 1 24 PHE H 3.750 . 3.750 2.453 2.255 2.763 . 0 0 "[ . 1 . 2]" 1
144 1 4 ILE H 1 4 ILE HB 3.810 . 3.810 3.134 2.212 3.581 . 0 0 "[ . 1 . 2]" 1
145 1 74 PHE H 1 74 PHE QB 3.310 . 3.310 2.094 1.929 2.174 . 0 0 "[ . 1 . 2]" 1
146 1 50 GLN H 1 50 GLN QG 3.590 . 3.590 2.582 2.035 3.685 0.095 17 0 "[ . 1 . 2]" 1
147 1 61 ILE HB 1 62 ASP H 3.810 . 3.810 2.629 2.451 2.800 . 0 0 "[ . 1 . 2]" 1
148 1 78 LEU H 1 78 LEU QB . . 3.330 1.984 1.932 2.092 . 0 0 "[ . 1 . 2]" 1
149 1 50 GLN H 1 50 GLN QB 3.770 . 3.770 2.582 1.974 3.218 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU H 1 12 LEU HG 3.350 . 3.350 2.736 2.205 3.385 0.035 4 0 "[ . 1 . 2]" 1
151 1 85 MET H 1 85 MET QG . . 3.960 3.051 2.197 3.952 . 0 0 "[ . 1 . 2]" 1
152 1 44 VAL H 1 44 VAL HB 3.590 . 3.590 2.245 2.137 2.327 . 0 0 "[ . 1 . 2]" 1
153 1 80 MET H 1 80 MET QG 4.810 . 4.810 3.775 2.447 4.008 . 0 0 "[ . 1 . 2]" 1
154 1 80 MET H 1 80 MET QB 3.540 . 3.540 2.160 2.093 2.238 . 0 0 "[ . 1 . 2]" 1
155 1 23 ALA H 1 23 ALA MB . . 3.170 2.079 1.931 2.171 . 0 0 "[ . 1 . 2]" 1
156 1 26 ILE H 1 26 ILE HB 3.300 . 3.300 2.305 2.037 2.406 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU H 1 10 GLU QB 3.110 . 3.110 2.163 2.030 2.312 . 0 0 "[ . 1 . 2]" 1
158 1 57 LEU H 1 57 LEU QB 3.430 . 3.430 2.157 2.094 2.199 . 0 0 "[ . 1 . 2]" 1
159 1 83 ARG H 1 83 ARG QG 3.460 . 3.460 2.706 1.986 3.498 0.038 10 0 "[ . 1 . 2]" 1
160 1 22 ALA H 1 22 ALA MB . . 2.980 2.140 2.049 2.164 . 0 0 "[ . 1 . 2]" 1
161 1 7 ALA H 1 7 ALA MB . . 3.030 2.097 1.947 2.168 . 0 0 "[ . 1 . 2]" 1
162 1 82 VAL QG 1 83 ARG H 3.950 . 3.950 2.174 1.925 3.161 . 0 0 "[ . 1 . 2]" 1
163 1 64 VAL QG 1 65 ASP H 3.950 . 3.950 3.041 2.238 3.499 . 0 0 "[ . 1 . 2]" 1
164 1 57 LEU H 1 57 LEU QD 4.620 . 4.620 3.570 3.480 3.649 . 0 0 "[ . 1 . 2]" 1
165 1 61 ILE H 1 61 ILE MD 3.990 . 3.990 3.505 3.141 3.726 . 0 0 "[ . 1 . 2]" 1
166 1 8 ALA MB 1 9 VAL H . . 3.800 2.309 2.138 2.566 . 0 0 "[ . 1 . 2]" 1
167 1 9 VAL H 1 9 VAL QG . . 3.220 2.171 1.863 2.466 . 0 0 "[ . 1 . 2]" 1
168 1 4 ILE H 1 4 ILE QG 3.830 . 3.830 2.715 1.890 3.985 0.155 14 0 "[ . 1 . 2]" 1
169 1 4 ILE H 1 4 ILE MG 4.070 . 4.070 2.115 1.937 2.374 . 0 0 "[ . 1 . 2]" 1
170 1 78 LEU H 1 78 LEU QD 4.190 . 4.190 3.041 2.387 3.476 . 0 0 "[ . 1 . 2]" 1
171 1 86 LYS H 1 86 LYS QG 4.570 . 4.570 3.518 2.160 4.414 . 0 0 "[ . 1 . 2]" 1
172 1 4 ILE QG 1 5 TYR H 4.610 . 4.610 2.609 1.829 4.126 . 0 0 "[ . 1 . 2]" 1
173 1 12 LEU H 1 12 LEU QD 4.110 . 4.110 3.285 3.083 3.515 . 0 0 "[ . 1 . 2]" 1
174 1 28 VAL QG 1 29 GLN H 4.750 . 4.750 3.173 2.131 3.384 . 0 0 "[ . 1 . 2]" 1
175 1 44 VAL H 1 44 VAL QG . . 3.290 2.323 2.077 2.622 . 0 0 "[ . 1 . 2]" 1
176 1 41 LEU H 1 41 LEU QB 3.400 . 3.400 1.987 1.926 2.102 . 0 0 "[ . 1 . 2]" 1
177 1 22 ALA MB 1 23 ALA H . . 3.620 2.446 2.318 2.681 . 0 0 "[ . 1 . 2]" 1
178 1 26 ILE H 1 26 ILE QG . . 3.730 2.304 2.011 2.942 . 0 0 "[ . 1 . 2]" 1
179 1 64 VAL QG 1 80 MET H 4.280 . 4.280 3.009 2.700 3.528 . 0 0 "[ . 1 . 2]" 1
180 1 41 LEU H 1 41 LEU QD 4.730 . 4.730 3.122 2.851 3.605 . 0 0 "[ . 1 . 2]" 1
181 1 26 ILE H 1 26 ILE MD . . 4.270 3.135 2.106 3.540 . 0 0 "[ . 1 . 2]" 1
182 1 79 VAL QG 1 80 MET H . . 4.870 3.245 2.434 3.506 . 0 0 "[ . 1 . 2]" 1
183 1 9 VAL QG 1 10 GLU H 4.240 . 4.240 3.122 2.927 3.276 . 0 0 "[ . 1 . 2]" 1
184 1 36 ILE MG 1 37 SER H 4.900 . 4.900 2.424 2.167 2.736 . 0 0 "[ . 1 . 2]" 1
185 1 26 ILE H 1 26 ILE MG . . 4.070 3.698 3.530 3.739 . 0 0 "[ . 1 . 2]" 1
186 1 32 GLU H 1 33 ASP H 5.150 . 5.150 2.669 2.452 2.869 . 0 0 "[ . 1 . 2]" 1
187 1 57 LEU H 1 58 GLN H 4.000 . 4.000 2.765 2.603 2.893 . 0 0 "[ . 1 . 2]" 1
188 1 18 ASN H 1 19 GLU H 3.650 . 3.650 2.629 2.469 2.787 . 0 0 "[ . 1 . 2]" 1
189 1 33 ASP H 1 34 GLY H 4.210 . 4.210 2.401 2.137 2.716 . 0 0 "[ . 1 . 2]" 1
190 1 48 LEU H 1 49 GLY H 3.690 . 3.690 2.578 2.410 2.860 . 0 0 "[ . 1 . 2]" 1
191 1 63 GLU H 1 64 VAL H 3.820 . 3.820 2.720 2.561 2.888 . 0 0 "[ . 1 . 2]" 1
192 1 58 GLN H 1 59 GLU H . . 3.290 2.913 2.780 3.027 . 0 0 "[ . 1 . 2]" 1
193 1 44 VAL H 1 45 MET H 3.700 . 3.700 2.810 2.694 2.998 . 0 0 "[ . 1 . 2]" 1
194 1 24 PHE QD 1 25 ASP H 5.080 . 5.080 4.210 3.368 4.649 . 0 0 "[ . 1 . 2]" 1
195 1 35 SER HA 1 36 ILE H . . 3.550 2.345 2.224 2.576 . 0 0 "[ . 1 . 2]" 1
196 1 13 THR HB 1 15 GLU H 3.790 . 3.790 2.874 2.659 3.157 . 0 0 "[ . 1 . 2]" 1
197 1 32 GLU HA 1 33 ASP H 4.050 . 4.050 3.574 3.511 3.610 . 0 0 "[ . 1 . 2]" 1
198 1 37 SER HA 1 38 THR H 3.330 . 3.330 2.494 2.428 2.655 . 0 0 "[ . 1 . 2]" 1
199 1 50 GLN HA 1 51 ASN H 4.630 . 4.630 2.514 2.272 3.576 . 0 0 "[ . 1 . 2]" 1
200 1 42 GLY QA 1 45 MET H . . 4.520 3.641 3.426 4.090 . 0 0 "[ . 1 . 2]" 1
201 1 45 MET HA 1 48 LEU H 4.730 . 4.730 3.447 3.190 3.704 . 0 0 "[ . 1 . 2]" 1
202 1 76 GLU HA 1 79 VAL H 4.920 . 4.920 3.594 3.370 3.839 . 0 0 "[ . 1 . 2]" 1
203 1 40 GLU H 1 41 LEU HA 4.930 . 4.930 4.969 4.897 5.007 0.077 6 0 "[ . 1 . 2]" 1
204 1 27 PHE HA 1 28 VAL H 4.300 . 4.300 3.487 3.361 3.562 . 0 0 "[ . 1 . 2]" 1
205 1 60 MET HA 1 63 GLU H 4.630 . 4.630 3.971 3.654 4.730 0.100 18 0 "[ . 1 . 2]" 1
206 1 62 ASP H 1 62 ASP QB 3.660 . 3.660 2.064 1.932 2.310 . 0 0 "[ . 1 . 2]" 1
207 1 35 SER QB 1 36 ILE H 4.240 . 4.240 3.174 2.406 3.732 . 0 0 "[ . 1 . 2]" 1
208 1 78 LEU HA 1 81 MET H 4.610 . 4.610 3.688 3.460 3.876 . 0 0 "[ . 1 . 2]" 1
209 1 18 ASN H 1 18 ASN QB 3.380 . 3.380 1.965 1.925 2.012 . 0 0 "[ . 1 . 2]" 1
210 1 24 PHE HA 1 25 ASP H 4.850 . 4.850 3.570 3.549 3.588 . 0 0 "[ . 1 . 2]" 1
211 1 24 PHE QB 1 25 ASP H 4.050 . 4.050 2.581 2.409 2.855 . 0 0 "[ . 1 . 2]" 1
212 1 25 ASP H 1 25 ASP QB 3.410 . 3.410 2.060 1.923 2.293 . 0 0 "[ . 1 . 2]" 1
213 1 26 ILE HA 1 27 PHE H 4.780 . 4.780 3.587 3.565 3.606 . 0 0 "[ . 1 . 2]" 1
214 1 27 PHE H 1 27 PHE QB . . 3.890 3.004 2.988 3.023 . 0 0 "[ . 1 . 2]" 1
215 1 75 ASP H 1 75 ASP QB 3.290 . 3.290 2.108 1.946 2.347 . 0 0 "[ . 1 . 2]" 1
216 1 27 PHE QB 1 28 VAL H . . 4.790 3.254 2.922 3.583 . 0 0 "[ . 1 . 2]" 1
217 1 62 ASP QB 1 63 GLU H 4.250 . 4.250 2.711 2.577 2.860 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLN QG 1 17 LYS H 3.860 . 3.860 3.725 2.131 4.090 0.230 18 0 "[ . 1 . 2]" 1
219 1 17 LYS H 1 17 LYS QB 3.360 . 3.360 2.062 1.944 2.224 . 0 0 "[ . 1 . 2]" 1
220 1 17 LYS H 1 17 LYS QG 3.820 . 3.820 3.043 2.434 3.919 0.099 2 0 "[ . 1 . 2]" 1
221 1 60 MET H 1 60 MET QG 4.240 . 4.240 2.995 2.644 3.411 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLU H 1 15 GLU QG 4.230 . 4.230 2.632 1.860 3.949 . 0 0 "[ . 1 . 2]" 1
223 1 55 GLU H 1 55 GLU QG 3.990 . 3.990 2.610 1.789 3.689 0.011 5 0 "[ . 1 . 2]" 1
224 1 82 VAL H 1 82 VAL HB 3.740 . 3.740 3.321 2.168 3.590 . 0 0 "[ . 1 . 2]" 1
225 1 80 MET QG 1 81 MET H 3.890 . 3.890 3.566 2.596 3.985 0.095 14 0 "[ . 1 . 2]" 1
226 1 58 GLN H 1 58 GLN QB 2.970 . 2.970 2.134 2.014 2.186 . 0 0 "[ . 1 . 2]" 1
227 1 15 GLU H 1 15 GLU QB 3.250 . 3.250 2.278 1.978 2.576 . 0 0 "[ . 1 . 2]" 1
228 1 32 GLU QB 1 33 ASP H 4.650 . 4.650 2.544 2.134 3.551 . 0 0 "[ . 1 . 2]" 1
229 1 55 GLU H 1 55 GLU QB 3.310 . 3.310 2.399 1.957 3.014 . 0 0 "[ . 1 . 2]" 1
230 1 36 ILE H 1 36 ILE HB 4.350 . 4.350 2.556 2.377 3.247 . 0 0 "[ . 1 . 2]" 1
231 1 58 GLN H 1 58 GLN QG 3.930 . 3.930 3.936 3.705 4.009 0.079 7 0 "[ . 1 . 2]" 1
232 1 45 MET H 1 45 MET QG 3.480 . 3.480 2.266 2.107 2.909 . 0 0 "[ . 1 . 2]" 1
233 1 45 MET H 1 45 MET QB 3.480 . 3.480 2.367 2.159 2.487 . 0 0 "[ . 1 . 2]" 1
234 1 47 MET QB 1 48 LEU H 4.390 . 4.390 2.728 2.452 3.535 . 0 0 "[ . 1 . 2]" 1
235 1 59 GLU H 1 59 GLU QG 4.170 . 4.170 3.539 1.996 3.982 . 0 0 "[ . 1 . 2]" 1
236 1 79 VAL H 1 79 VAL HB 3.550 . 3.550 2.340 2.125 2.471 . 0 0 "[ . 1 . 2]" 1
237 1 59 GLU H 1 59 GLU QB 3.070 . 3.070 2.197 1.993 2.479 . 0 0 "[ . 1 . 2]" 1
238 1 48 LEU H 1 48 LEU QB 3.170 . 3.170 2.038 1.946 2.139 . 0 0 "[ . 1 . 2]" 1
239 1 78 LEU QB 1 79 VAL H 4.400 . 4.400 2.561 2.418 2.671 . 0 0 "[ . 1 . 2]" 1
240 1 40 GLU H 1 40 GLU QG 4.120 . 4.120 2.872 1.809 3.635 . 0 0 "[ . 1 . 2]" 1
241 1 40 GLU H 1 40 GLU QB 3.730 . 3.730 2.230 2.005 2.692 . 0 0 "[ . 1 . 2]" 1
242 1 40 GLU H 1 41 LEU QB 5.050 . 5.050 3.892 3.760 4.058 . 0 0 "[ . 1 . 2]" 1
243 1 63 GLU H 1 63 GLU QG 4.470 . 4.470 3.631 2.509 4.040 . 0 0 "[ . 1 . 2]" 1
244 1 63 GLU H 1 63 GLU QB 3.310 . 3.310 2.078 1.905 2.197 . 0 0 "[ . 1 . 2]" 1
245 1 28 VAL H 1 28 VAL HB 4.030 . 4.030 2.229 2.140 2.336 . 0 0 "[ . 1 . 2]" 1
246 1 61 ILE MG 1 62 ASP H . . 4.260 2.978 2.501 3.324 . 0 0 "[ . 1 . 2]" 1
247 1 31 ALA MB 1 33 ASP H 4.800 . 4.800 3.324 3.076 3.742 . 0 0 "[ . 1 . 2]" 1
248 1 81 MET H 1 81 MET QB 3.690 . 3.690 2.047 1.917 2.246 . 0 0 "[ . 1 . 2]" 1
249 1 36 ILE H 1 36 ILE QG . . 4.390 2.519 2.038 3.067 . 0 0 "[ . 1 . 2]" 1
250 1 57 LEU QD 1 58 GLN H 4.570 . 4.570 3.914 2.825 4.083 . 0 0 "[ . 1 . 2]" 1
251 1 38 THR H 1 38 THR MG 4.070 . 4.070 2.171 2.041 2.286 . 0 0 "[ . 1 . 2]" 1
252 1 44 VAL QG 1 45 MET H 4.520 . 4.520 2.888 2.605 3.073 . 0 0 "[ . 1 . 2]" 1
253 1 48 LEU H 1 48 LEU QD . . 4.000 2.985 2.382 3.604 . 0 0 "[ . 1 . 2]" 1
254 1 79 VAL H 1 79 VAL QG . . 3.040 2.211 1.995 2.587 . 0 0 "[ . 1 . 2]" 1
255 1 61 ILE MG 1 63 GLU H 4.890 . 4.890 4.787 4.625 4.934 0.044 1 0 "[ . 1 . 2]" 1
256 1 28 VAL H 1 28 VAL QG . . 3.370 2.443 2.240 2.732 . 0 0 "[ . 1 . 2]" 1
257 1 36 ILE H 1 36 ILE MG 4.680 . 4.680 3.808 3.722 3.904 . 0 0 "[ . 1 . 2]" 1
258 1 68 GLY H 1 69 SER H 3.820 . 3.820 2.678 2.461 2.845 . 0 0 "[ . 1 . 2]" 1
259 1 13 THR H 1 16 GLN H 5.160 . 5.160 4.117 3.684 4.392 . 0 0 "[ . 1 . 2]" 1
260 1 69 SER H 1 69 SER QB . . 3.580 2.680 2.480 2.769 . 0 0 "[ . 1 . 2]" 1
261 1 66 GLU QB 1 67 ASP H 4.090 . 4.090 2.736 2.515 2.930 . 0 0 "[ . 1 . 2]" 1
262 1 12 LEU HA 1 13 THR H 3.070 . 3.070 2.274 2.209 2.471 . 0 0 "[ . 1 . 2]" 1
263 1 84 SER H 1 84 SER QB 3.360 . 3.360 2.227 1.980 2.563 . 0 0 "[ . 1 . 2]" 1
264 1 52 PRO QB 1 53 THR H 3.880 . 3.880 3.048 2.715 3.477 . 0 0 "[ . 1 . 2]" 1
265 1 13 THR H 1 16 GLN QG 3.700 . 3.700 3.042 2.237 3.753 0.053 18 0 "[ . 1 . 2]" 1
266 1 12 LEU QB 1 13 THR H 4.900 . 4.900 3.166 2.631 3.427 . 0 0 "[ . 1 . 2]" 1
267 1 11 GLN H 1 11 GLN QG 4.010 . 4.010 3.164 2.301 3.797 . 0 0 "[ . 1 . 2]" 1
268 1 11 GLN H 1 11 GLN QB . . 3.510 2.096 1.933 2.389 . 0 0 "[ . 1 . 2]" 1
269 1 83 ARG QB 1 84 SER H 4.730 . 4.730 2.858 2.458 3.601 . 0 0 "[ . 1 . 2]" 1
270 1 53 THR H 1 53 THR MG . . 3.160 2.704 1.841 3.178 0.018 7 0 "[ . 1 . 2]" 1
271 1 13 THR H 1 13 THR MG . . 3.120 2.515 2.144 2.938 . 0 0 "[ . 1 . 2]" 1
272 1 12 LEU QD 1 13 THR H 4.450 . 4.450 2.846 2.060 3.546 . 0 0 "[ . 1 . 2]" 1
273 1 64 VAL H 1 64 VAL QG . . 3.260 2.115 1.778 2.543 0.022 12 0 "[ . 1 . 2]" 1
274 1 58 GLN QE 1 61 ILE MG 5.010 . 5.010 4.276 3.665 4.979 . 0 0 "[ . 1 . 2]" 1
275 1 31 ALA MB 1 35 SER H . . 3.760 2.754 1.918 3.364 . 0 0 "[ . 1 . 2]" 1
276 1 28 VAL QG 1 35 SER H 4.940 . 4.940 4.095 3.515 4.659 . 0 0 "[ . 1 . 2]" 1
277 1 67 ASP HA 1 68 GLY H 4.580 . 4.580 3.499 3.486 3.515 . 0 0 "[ . 1 . 2]" 1
278 1 70 GLY QA 1 71 THR H 4.240 . 4.240 2.903 2.857 2.956 . 0 0 "[ . 1 . 2]" 1
279 1 71 THR H 1 71 THR MG 4.380 . 4.380 2.791 2.520 3.030 . 0 0 "[ . 1 . 2]" 1
280 1 49 GLY H 1 50 GLN H . . 3.650 2.204 1.907 2.738 . 0 0 "[ . 1 . 2]" 1
281 1 34 GLY H 1 35 SER H 4.460 . 4.460 2.446 2.245 2.748 . 0 0 "[ . 1 . 2]" 1
282 1 48 LEU HA 1 49 GLY H 4.130 . 4.130 3.397 3.060 3.601 . 0 0 "[ . 1 . 2]" 1
283 1 48 LEU QB 1 49 GLY H 4.650 . 4.650 3.120 2.568 3.725 . 0 0 "[ . 1 . 2]" 1
284 1 41 LEU QB 1 42 GLY H 4.490 . 4.490 2.757 2.584 3.092 . 0 0 "[ . 1 . 2]" 1
285 1 31 ALA MB 1 34 GLY H . . 4.520 2.345 2.006 2.823 . 0 0 "[ . 1 . 2]" 1
286 1 41 LEU QD 1 42 GLY H 4.730 . 4.730 3.789 3.604 4.038 . 0 0 "[ . 1 . 2]" 1
287 1 50 GLN QG 1 51 ASN H 5.330 . 5.330 4.381 3.583 4.784 . 0 0 "[ . 1 . 2]" 1
288 1 12 LEU QD 1 16 GLN QE . . 5.390 3.053 2.012 4.533 . 0 0 "[ . 1 . 2]" 1
289 1 15 GLU HA 1 18 ASN QD 5.270 . 5.270 3.821 1.957 5.288 0.018 7 0 "[ . 1 . 2]" 1
290 1 12 LEU QD 1 17 LYS H 5.660 . 5.660 4.234 3.743 4.835 . 0 0 "[ . 1 . 2]" 1
291 1 18 ASN H 1 18 ASN QD 5.470 . 5.470 4.007 2.991 4.654 . 0 0 "[ . 1 . 2]" 1
292 1 17 LYS QB 1 18 ASN H 3.590 . 3.590 2.651 2.374 2.814 . 0 0 "[ . 1 . 2]" 1
293 1 20 PHE HA 1 23 ALA H 5.310 . 5.310 3.796 3.469 4.197 . 0 0 "[ . 1 . 2]" 1
294 1 23 ALA MB 1 25 ASP H 5.520 . 5.520 4.481 4.357 4.680 . 0 0 "[ . 1 . 2]" 1
295 1 27 PHE H 1 28 VAL QG 5.180 . 5.180 3.820 3.678 4.004 . 0 0 "[ . 1 . 2]" 1
296 1 26 ILE MG 1 27 PHE H 5.310 . 5.310 3.184 2.585 3.393 . 0 0 "[ . 1 . 2]" 1
297 1 26 ILE HB 1 27 PHE H 4.290 . 4.290 2.652 2.456 2.972 . 0 0 "[ . 1 . 2]" 1
298 1 29 GLN H 1 29 GLN QG 4.290 . 4.290 3.074 2.100 4.006 . 0 0 "[ . 1 . 2]" 1
299 1 29 GLN H 1 29 GLN QB 3.850 . 3.850 2.133 1.938 2.497 . 0 0 "[ . 1 . 2]" 1
300 1 31 ALA MB 1 32 GLU H 5.460 . 5.460 3.029 2.387 3.547 . 0 0 "[ . 1 . 2]" 1
301 1 33 ASP QB 1 34 GLY H 5.550 . 5.550 3.025 2.699 3.752 . 0 0 "[ . 1 . 2]" 1
302 1 34 GLY QA 1 35 SER H 3.450 . 3.450 2.777 2.602 2.970 . 0 0 "[ . 1 . 2]" 1
303 1 5 TYR HA 1 6 LYS H 4.210 . 4.210 3.569 3.525 3.594 . 0 0 "[ . 1 . 2]" 1
304 1 38 THR MG 1 39 LYS H 5.180 . 5.180 3.923 3.832 4.054 . 0 0 "[ . 1 . 2]" 1
305 1 39 LYS H 1 39 LYS QG 4.560 . 4.560 3.177 1.912 3.959 . 0 0 "[ . 1 . 2]" 1
306 1 39 LYS HA 1 40 GLU H 4.770 . 4.770 3.551 3.523 3.584 . 0 0 "[ . 1 . 2]" 1
307 1 40 GLU HA 1 41 LEU H 4.820 . 4.820 3.513 3.441 3.550 . 0 0 "[ . 1 . 2]" 1
308 1 45 MET H 1 45 MET ME 4.070 . 4.070 3.927 3.768 4.109 0.039 16 0 "[ . 1 . 2]" 1
309 1 45 MET QG 1 46 ARG H 5.370 . 5.370 3.937 3.813 4.293 . 0 0 "[ . 1 . 2]" 1
310 1 46 ARG HA 1 47 MET H 5.260 . 5.260 3.554 3.515 3.593 . 0 0 "[ . 1 . 2]" 1
311 1 86 LYS HA 1 87 ASP H 3.950 . 3.950 2.896 2.186 3.604 . 0 0 "[ . 1 . 2]" 1
312 1 53 THR H 1 56 GLU QB 3.440 . 3.440 3.084 2.399 3.496 0.056 14 0 "[ . 1 . 2]" 1
313 1 53 THR H 1 54 PRO QD . . 4.320 4.399 4.373 4.416 0.096 5 0 "[ . 1 . 2]" 1
314 1 53 THR H 1 56 GLU H 5.250 . 5.250 4.368 3.749 4.761 . 0 0 "[ . 1 . 2]" 1
315 1 53 THR MG 1 55 GLU H 5.510 . 5.510 4.300 3.905 4.730 . 0 0 "[ . 1 . 2]" 1
316 1 56 GLU H 1 56 GLU QB 3.800 . 3.800 2.111 2.036 2.266 . 0 0 "[ . 1 . 2]" 1
317 1 53 THR MG 1 56 GLU H 5.560 . 5.560 4.266 2.591 4.583 . 0 0 "[ . 1 . 2]" 1
318 1 81 MET H 1 81 MET QG . . 3.640 2.945 2.325 3.870 0.230 20 0 "[ . 1 . 2]" 1
319 1 64 VAL H 1 64 VAL HB 4.090 . 4.090 2.677 2.200 3.610 . 0 0 "[ . 1 . 2]" 1
320 1 66 GLU HA 1 67 ASP H 4.800 . 4.800 3.556 3.520 3.585 . 0 0 "[ . 1 . 2]" 1
321 1 67 ASP QB 1 68 GLY H 5.600 . 5.600 3.630 3.603 3.671 . 0 0 "[ . 1 . 2]" 1
322 1 35 SER QB 1 72 VAL H 5.560 . 5.560 4.751 3.231 5.594 0.034 16 0 "[ . 1 . 2]" 1
323 1 71 THR HA 1 72 VAL H . . 3.310 2.279 2.216 2.382 . 0 0 "[ . 1 . 2]" 1
324 1 73 ASP H 1 76 GLU H 5.420 . 5.420 3.196 3.085 3.365 . 0 0 "[ . 1 . 2]" 1
325 1 24 PHE HZ 1 74 PHE H 5.250 . 5.250 3.320 2.590 4.354 . 0 0 "[ . 1 . 2]" 1
326 1 24 PHE QE 1 74 PHE H 5.570 . 5.570 3.324 2.552 4.135 . 0 0 "[ . 1 . 2]" 1
327 1 74 PHE H 1 74 PHE QD 5.300 . 5.300 3.924 3.167 4.134 . 0 0 "[ . 1 . 2]" 1
328 1 73 ASP QB 1 75 ASP H 5.190 . 5.190 3.354 2.715 3.814 . 0 0 "[ . 1 . 2]" 1
329 1 82 VAL H 1 82 VAL QG . . 3.010 1.893 1.780 2.499 0.020 13 0 "[ . 1 . 2]" 1
330 1 10 GLU H 1 10 GLU QG 4.280 . 4.280 3.195 2.100 3.982 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLN QB 1 30 GLY H 5.770 . 5.770 2.712 2.291 3.523 . 0 0 "[ . 1 . 2]" 1
332 1 28 VAL QG 1 30 GLY H 6.000 . 6.000 4.524 4.157 4.723 . 0 0 "[ . 1 . 2]" 1
333 1 32 GLU QG 1 33 ASP H 5.560 . 5.560 3.922 1.900 4.474 . 0 0 "[ . 1 . 2]" 1
334 1 28 VAL QG 1 34 GLY H 5.910 . 5.910 3.876 3.520 4.151 . 0 0 "[ . 1 . 2]" 1
335 1 14 GLU QB 1 15 GLU H 3.720 . 3.720 2.642 2.357 3.514 . 0 0 "[ . 1 . 2]" 1
336 1 79 VAL HA 1 82 VAL H 4.320 . 4.320 3.810 3.509 4.123 . 0 0 "[ . 1 . 2]" 1
337 1 82 VAL HB 1 83 ARG H 3.840 . 3.840 3.619 2.450 3.885 0.045 17 0 "[ . 1 . 2]" 1
338 1 44 VAL HB 1 45 MET H 4.320 . 4.320 2.497 2.389 2.640 . 0 0 "[ . 1 . 2]" 1
339 1 61 ILE H 1 61 ILE QG 4.180 . 4.180 2.620 2.067 3.133 . 0 0 "[ . 1 . 2]" 1
340 1 85 MET HA 1 86 LYS H 3.720 . 3.720 3.568 3.450 3.598 . 0 0 "[ . 1 . 2]" 1
341 1 25 ASP HA 1 28 VAL H 3.850 . 3.850 3.225 2.975 3.651 . 0 0 "[ . 1 . 2]" 1
342 1 57 LEU HA 1 58 GLN H 4.270 . 4.270 3.566 3.529 3.587 . 0 0 "[ . 1 . 2]" 1
343 1 12 LEU QD 1 20 PHE QE 3.620 . 3.620 2.742 1.861 3.606 . 0 0 "[ . 1 . 2]" 1
344 1 20 PHE HZ 1 85 MET ME 3.080 . 3.080 2.540 1.850 3.086 0.006 10 0 "[ . 1 . 2]" 1
345 1 8 ALA H 1 8 ALA MB 3.210 . 3.210 2.130 2.012 2.244 . 0 0 "[ . 1 . 2]" 1
346 1 7 ALA MB 1 8 ALA H 3.570 . 3.570 2.560 2.304 2.708 . 0 0 "[ . 1 . 2]" 1
347 1 9 VAL HA 1 12 LEU H 4.340 . 4.340 3.600 3.274 4.058 . 0 0 "[ . 1 . 2]" 1
348 1 27 PHE QE 1 44 VAL HA 4.300 . 4.300 3.450 2.884 3.914 . 0 0 "[ . 1 . 2]" 1
349 1 55 GLU HA 1 58 GLN H 4.150 . 4.150 4.089 3.712 4.226 0.076 20 0 "[ . 1 . 2]" 1
350 1 10 GLU HA 1 11 GLN H 4.250 . 4.250 3.559 3.524 3.598 . 0 0 "[ . 1 . 2]" 1
351 1 58 GLN QB 1 59 GLU H 4.410 . 4.410 2.247 2.078 2.431 . 0 0 "[ . 1 . 2]" 1
352 1 27 PHE HZ 1 48 LEU QD 3.620 . 3.620 3.087 2.428 3.510 . 0 0 "[ . 1 . 2]" 1
353 1 74 PHE QE 1 78 LEU QD 4.080 . 4.080 2.853 2.486 3.573 . 0 0 "[ . 1 . 2]" 1
354 1 20 PHE QE 1 48 LEU QD 3.960 . 3.960 2.923 1.973 3.864 . 0 0 "[ . 1 . 2]" 1
355 1 24 PHE QE 1 72 VAL QG 4.360 . 4.360 3.205 2.523 3.961 . 0 0 "[ . 1 . 2]" 1
356 1 72 VAL QG 1 77 PHE QD 4.260 . 4.260 2.962 1.998 3.663 . 0 0 "[ . 1 . 2]" 1
357 1 27 PHE HZ 1 44 VAL QG 3.560 . 3.560 2.413 1.927 2.654 . 0 0 "[ . 1 . 2]" 1
358 1 5 TYR QD 1 79 VAL QG 4.220 . 4.220 3.270 1.908 4.219 . 0 0 "[ . 1 . 2]" 1
359 1 23 ALA MB 1 27 PHE HZ 3.760 . 3.760 2.764 2.217 3.315 . 0 0 "[ . 1 . 2]" 1
360 1 27 PHE HZ 1 47 MET ME 3.070 . 3.070 2.569 2.026 3.106 0.036 14 0 "[ . 1 . 2]" 1
361 1 45 MET ME 1 77 PHE QE 3.720 . 3.720 2.608 2.083 3.563 . 0 0 "[ . 1 . 2]" 1
362 1 45 MET ME 1 77 PHE QD 3.800 . 3.800 3.817 3.557 3.956 0.156 18 0 "[ . 1 . 2]" 1
363 1 77 PHE QE 1 81 MET ME 2.940 . 2.940 2.525 1.929 2.917 . 0 0 "[ . 1 . 2]" 1
364 1 24 PHE HA 1 27 PHE QD 4.140 . 4.140 2.929 2.481 3.525 . 0 0 "[ . 1 . 2]" 1
365 1 17 LYS HA 1 20 PHE QD 4.320 . 4.320 2.875 1.892 4.205 . 0 0 "[ . 1 . 2]" 1
366 1 21 LYS HA 1 74 PHE QE 3.590 . 3.590 2.211 1.816 3.391 . 0 0 "[ . 1 . 2]" 1
367 1 24 PHE HA 1 24 PHE QD 4.090 . 4.090 2.592 2.107 2.934 . 0 0 "[ . 1 . 2]" 1
368 1 71 THR HA 1 71 THR MG 3.430 . 3.430 2.280 2.127 2.382 . 0 0 "[ . 1 . 2]" 1
369 1 53 THR HB 1 54 PRO QD 3.170 . 3.170 2.317 1.794 3.131 0.006 11 0 "[ . 1 . 2]" 1
370 1 51 ASN HA 1 52 PRO QD . . 3.290 2.481 2.375 2.585 . 0 0 "[ . 1 . 2]" 1
371 1 20 PHE HA 1 23 ALA MB 4.010 . 4.010 3.028 2.656 3.612 . 0 0 "[ . 1 . 2]" 1
372 1 13 THR HA 1 13 THR HB 3.120 . 3.120 2.573 2.434 2.677 . 0 0 "[ . 1 . 2]" 1
373 1 37 SER HA 1 38 THR MG 3.730 . 3.730 3.730 3.639 3.787 0.057 5 0 "[ . 1 . 2]" 1
374 1 37 SER HA 1 71 THR MG 3.180 . 3.180 2.267 1.895 2.712 . 0 0 "[ . 1 . 2]" 1
375 1 48 LEU HA 1 48 LEU QD 3.040 . 3.040 2.603 1.846 2.906 . 0 0 "[ . 1 . 2]" 1
376 1 12 LEU HA 1 12 LEU QD 2.960 . 2.960 2.040 1.819 2.230 . 0 0 "[ . 1 . 2]" 1
377 1 13 THR HA 1 13 THR MG 3.100 . 3.100 2.221 2.028 2.384 . 0 0 "[ . 1 . 2]" 1
378 1 64 VAL HA 1 64 VAL QG . . 3.220 2.143 2.033 2.363 . 0 0 "[ . 1 . 2]" 1
379 1 25 ASP HA 1 28 VAL QG . . 3.300 2.738 1.782 3.051 0.018 15 0 "[ . 1 . 2]" 1
380 1 53 THR HA 1 54 PRO QD . . 2.830 2.119 1.997 2.249 . 0 0 "[ . 1 . 2]" 1
381 1 5 TYR HA 1 8 ALA MB 3.850 . 3.850 3.115 2.331 3.827 . 0 0 "[ . 1 . 2]" 1
382 1 38 THR HB 1 61 ILE MG 4.340 . 4.340 4.142 3.764 4.410 0.070 16 0 "[ . 1 . 2]" 1
383 1 36 ILE HA 1 36 ILE MG 3.660 . 3.660 2.299 1.956 2.443 . 0 0 "[ . 1 . 2]" 1
384 1 37 SER HA 1 71 THR HB 3.630 . 3.630 3.612 3.451 3.695 0.065 17 0 "[ . 1 . 2]" 1
385 1 23 ALA HA 1 26 ILE MD 3.850 . 3.850 1.992 1.803 2.267 . 0 0 "[ . 1 . 2]" 1
386 1 66 GLU HA 1 66 GLU QG . . 3.630 2.202 1.948 2.503 . 0 0 "[ . 1 . 2]" 1
387 1 19 GLU HA 1 19 GLU QG . . 3.680 2.851 2.089 3.370 . 0 0 "[ . 1 . 2]" 1
388 1 11 GLN HA 1 11 GLN QG . . 3.660 2.203 1.960 3.001 . 0 0 "[ . 1 . 2]" 1
389 1 50 GLN HA 1 50 GLN QG . . 3.330 2.884 2.393 3.298 . 0 0 "[ . 1 . 2]" 1
390 1 60 MET HA 1 63 GLU QB 4.850 . 4.850 3.134 2.750 4.046 . 0 0 "[ . 1 . 2]" 1
391 1 57 LEU HA 1 57 LEU QD . . 3.240 2.092 1.861 2.327 . 0 0 "[ . 1 . 2]" 1
392 1 41 LEU QD 1 80 MET ME . . 3.110 1.883 1.790 2.031 0.010 12 0 "[ . 1 . 2]" 1
393 1 41 LEU HA 1 41 LEU QD 3.470 . 3.470 1.975 1.781 2.867 0.019 7 0 "[ . 1 . 2]" 1
394 1 75 ASP HA 1 78 LEU QD . . 3.810 3.106 2.562 3.802 . 0 0 "[ . 1 . 2]" 1
395 1 6 LYS HA 1 9 VAL QG 3.860 . 3.860 3.180 2.357 3.740 . 0 0 "[ . 1 . 2]" 1
396 1 38 THR HA 1 38 THR MG . . 3.450 2.314 2.222 2.386 . 0 0 "[ . 1 . 2]" 1
397 1 9 VAL HA 1 9 VAL QG . . 2.770 2.079 2.022 2.134 . 0 0 "[ . 1 . 2]" 1
398 1 41 LEU HA 1 44 VAL QG . . 4.010 2.526 2.246 2.800 . 0 0 "[ . 1 . 2]" 1
399 1 20 PHE QB 1 78 LEU QD 3.920 . 3.920 3.208 2.394 3.759 . 0 0 "[ . 1 . 2]" 1
400 1 53 THR MG 1 54 PRO QD 3.820 . 3.820 2.707 2.121 3.767 . 0 0 "[ . 1 . 2]" 1
401 1 72 VAL QG 1 77 PHE HA 3.900 . 3.900 2.716 2.258 3.196 . 0 0 "[ . 1 . 2]" 1
402 1 60 MET HA 1 64 VAL QG 4.340 . 4.340 3.863 2.509 4.392 0.052 2 0 "[ . 1 . 2]" 1
403 1 64 VAL QG 1 80 MET HA . . 3.790 2.586 1.986 3.207 . 0 0 "[ . 1 . 2]" 1
404 1 28 VAL HA 1 28 VAL QG . . 3.280 2.076 1.984 2.202 . 0 0 "[ . 1 . 2]" 1
405 1 31 ALA MB 1 34 GLY QA 3.720 . 3.720 2.520 2.149 3.792 0.072 17 0 "[ . 1 . 2]" 1
406 1 82 VAL HA 1 85 MET ME 3.810 . 3.810 2.894 1.898 3.796 . 0 0 "[ . 1 . 2]" 1
407 1 60 MET HA 1 60 MET ME 3.130 . 3.130 3.199 3.163 3.312 0.182 10 0 "[ . 1 . 2]" 1
408 1 60 MET ME 1 84 SER QB 3.550 . 3.550 3.422 2.993 3.616 0.066 16 0 "[ . 1 . 2]" 1
409 1 81 MET HA 1 81 MET ME 3.480 . 3.480 2.852 2.066 3.518 0.038 16 0 "[ . 1 . 2]" 1
410 1 4 ILE HA 1 7 ALA MB 3.880 . 3.880 2.758 2.124 3.404 . 0 0 "[ . 1 . 2]" 1
411 1 4 ILE HA 1 4 ILE MG . . 3.520 2.629 2.198 3.224 . 0 0 "[ . 1 . 2]" 1
412 1 26 ILE HA 1 26 ILE MG . . 3.680 2.486 2.377 2.850 . 0 0 "[ . 1 . 2]" 1
413 1 38 THR HA 1 61 ILE MD 3.720 . 3.720 1.898 1.772 2.166 0.028 20 0 "[ . 1 . 2]" 1
414 1 35 SER QB 1 71 THR HB . . 4.050 2.614 1.768 3.854 0.032 19 0 "[ . 1 . 2]" 1
415 1 10 GLU HA 1 10 GLU QG . . 3.720 2.369 2.113 3.374 . 0 0 "[ . 1 . 2]" 1
416 1 15 GLU HA 1 15 GLU QG . . 3.680 2.793 2.037 3.385 . 0 0 "[ . 1 . 2]" 1
417 1 55 GLU HA 1 55 GLU QG . . 3.810 3.318 3.069 3.375 . 0 0 "[ . 1 . 2]" 1
418 1 58 GLN HA 1 58 GLN QG . . 3.610 2.552 2.099 3.061 . 0 0 "[ . 1 . 2]" 1
419 1 45 MET HA 1 45 MET QG . . 3.780 2.417 2.310 2.948 . 0 0 "[ . 1 . 2]" 1
420 1 45 MET HA 1 50 GLN QG 4.370 . 4.370 2.539 2.042 3.769 . 0 0 "[ . 1 . 2]" 1
421 1 79 VAL HA 1 79 VAL QG 3.000 . 3.000 2.089 2.028 2.167 . 0 0 "[ . 1 . 2]" 1
422 1 44 VAL HA 1 44 VAL QG . . 3.270 2.052 1.984 2.160 . 0 0 "[ . 1 . 2]" 1
423 1 78 LEU HA 1 78 LEU QD . . 3.200 2.285 1.798 2.802 0.002 2 0 "[ . 1 . 2]" 1
424 1 72 VAL QG 1 77 PHE QB 3.450 . 3.450 2.408 1.919 2.911 . 0 0 "[ . 1 . 2]" 1
425 1 61 ILE HA 1 64 VAL QG 3.700 . 3.700 2.995 1.882 3.716 0.016 18 0 "[ . 1 . 2]" 1
426 1 79 VAL HA 1 82 VAL QG 3.290 . 3.290 2.342 1.990 3.290 . 0 0 "[ . 1 . 2]" 1
427 1 61 ILE HA 1 61 ILE MG . . 3.120 2.545 2.396 2.620 . 0 0 "[ . 1 . 2]" 1
428 1 61 ILE HA 1 61 ILE MD 4.390 . 4.390 3.761 3.640 3.806 . 0 0 "[ . 1 . 2]" 1
429 1 74 PHE HA 1 77 PHE QB 3.480 . 3.480 2.718 2.277 3.122 . 0 0 "[ . 1 . 2]" 1
430 1 21 LYS HA 1 24 PHE QB 3.740 . 3.740 2.559 2.187 2.899 . 0 0 "[ . 1 . 2]" 1
431 1 63 GLU HA 1 66 GLU QG 6.000 . 6.000 5.829 5.046 6.066 0.066 18 0 "[ . 1 . 2]" 1
432 1 29 GLN HA 1 29 GLN QG 3.990 . 3.990 2.523 1.971 3.326 . 0 0 "[ . 1 . 2]" 1
433 1 21 LYS QD 1 25 ASP QB . . 4.140 3.966 3.384 4.186 0.046 2 0 "[ . 1 . 2]" 1
434 1 22 ALA HA 1 25 ASP QB 3.960 . 3.960 2.940 2.467 3.674 . 0 0 "[ . 1 . 2]" 1
435 1 72 VAL QG 1 76 GLU QB 3.410 . 3.410 1.899 1.801 2.093 . 0 0 "[ . 1 . 2]" 1
436 1 79 VAL QG 1 83 ARG QD 4.080 . 4.080 3.053 1.897 4.103 0.023 19 0 "[ . 1 . 2]" 1
437 1 45 MET ME 1 45 MET QG 3.250 . 3.250 2.119 1.984 2.280 . 0 0 "[ . 1 . 2]" 1
438 1 60 MET ME 1 60 MET QG 3.100 . 3.100 2.322 2.253 2.446 . 0 0 "[ . 1 . 2]" 1
439 1 44 VAL HA 1 47 MET QB 3.860 . 3.860 2.874 2.504 3.866 0.006 16 0 "[ . 1 . 2]" 1
440 1 45 MET QG 1 50 GLN QG 3.510 . 3.510 3.640 3.538 3.780 0.270 12 0 "[ . 1 . 2]" 1
441 1 47 MET HA 1 47 MET QG 3.960 . 3.960 2.391 2.223 3.420 . 0 0 "[ . 1 . 2]" 1
442 1 76 GLU HA 1 76 GLU QG . . 3.430 2.052 1.966 2.209 . 0 0 "[ . 1 . 2]" 1
443 1 59 GLU HA 1 62 ASP QB 3.740 . 3.740 2.409 1.958 3.339 . 0 0 "[ . 1 . 2]" 1
444 1 56 GLU HA 1 56 GLU QG 3.000 . 3.000 2.275 2.028 2.639 . 0 0 "[ . 1 . 2]" 1
445 1 80 MET HA 1 80 MET QG . . 3.670 2.462 2.248 3.257 . 0 0 "[ . 1 . 2]" 1
446 1 25 ASP HA 1 28 VAL HB 3.540 . 3.540 2.056 1.801 3.539 . 0 0 "[ . 1 . 2]" 1
447 1 3 ASP HA 1 6 LYS QB 3.820 . 3.820 2.775 1.953 3.731 . 0 0 "[ . 1 . 2]" 1
448 1 41 LEU HA 1 44 VAL HB 3.890 . 3.890 2.242 2.008 2.486 . 0 0 "[ . 1 . 2]" 1
449 1 75 ASP HA 1 78 LEU QB . . 4.230 2.793 2.477 3.258 . 0 0 "[ . 1 . 2]" 1
450 1 7 ALA HA 1 10 GLU QB 3.680 . 3.680 2.742 2.214 3.689 0.009 18 0 "[ . 1 . 2]" 1
451 1 41 LEU QD 1 44 VAL HB 3.850 . 3.850 2.393 1.937 3.356 . 0 0 "[ . 1 . 2]" 1
452 1 52 PRO QG 1 57 LEU QD 3.550 . 3.550 2.246 1.793 3.450 0.007 10 0 "[ . 1 . 2]" 1
453 1 48 LEU QB 1 48 LEU QD . . 2.440 1.846 1.778 2.003 0.022 8 0 "[ . 1 . 2]" 1
454 1 64 VAL QG 1 76 GLU QB 3.170 . 3.170 2.616 1.876 3.155 . 0 0 "[ . 1 . 2]" 1
455 1 23 ALA MB 1 44 VAL QG 3.830 . 3.830 3.796 3.516 3.899 0.069 13 0 "[ . 1 . 2]" 1
456 1 9 VAL QG 1 78 LEU QB 4.250 . 4.250 2.924 1.886 4.275 0.025 20 0 "[ . 1 . 2]" 1
457 1 50 GLN QB 1 52 PRO QD . . 3.790 1.996 1.791 2.242 0.009 11 0 "[ . 1 . 2]" 1
458 1 28 VAL HB 1 31 ALA MB 4.800 . 4.800 4.746 4.564 4.854 0.054 17 0 "[ . 1 . 2]" 1
459 1 45 MET QB 1 45 MET ME 2.470 . 2.470 2.522 2.443 2.599 0.129 14 0 "[ . 1 . 2]" 1
460 1 8 ALA MB 1 82 VAL HB 3.650 . 3.650 3.214 2.411 3.776 0.126 3 0 "[ . 1 . 2]" 1
461 1 50 GLN QG 1 81 MET ME 3.170 . 3.170 2.514 1.915 3.116 . 0 0 "[ . 1 . 2]" 1
462 1 48 LEU QB 1 81 MET ME 2.760 . 2.760 2.357 1.932 2.719 . 0 0 "[ . 1 . 2]" 1
463 1 45 MET ME 1 81 MET ME 2.850 . 2.850 2.096 1.810 2.700 . 0 0 "[ . 1 . 2]" 1
464 1 61 ILE MG 1 72 VAL HB 4.180 . 4.180 3.793 3.080 4.171 . 0 0 "[ . 1 . 2]" 1
465 1 41 LEU QB 1 61 ILE MD 3.770 . 3.770 1.797 1.745 1.892 0.055 5 0 "[ . 1 . 2]" 1
466 1 36 ILE HB 1 36 ILE MD 3.600 . 3.600 2.185 1.951 3.195 . 0 0 "[ . 1 . 2]" 1
467 1 4 ILE HB 1 4 ILE MD 3.660 . 3.660 2.131 1.907 2.378 . 0 0 "[ . 1 . 2]" 1
468 1 17 LYS QB 1 17 LYS QE 4.360 . 4.360 2.873 2.005 3.634 . 0 0 "[ . 1 . 2]" 1
469 1 26 ILE HB 1 26 ILE MD 3.480 . 3.480 2.164 1.932 2.321 . 0 0 "[ . 1 . 2]" 1
470 1 36 ILE HB 1 72 VAL HB . . 3.860 3.091 2.423 3.785 . 0 0 "[ . 1 . 2]" 1
471 1 54 PRO HA 1 57 LEU QB 3.860 . 3.860 2.468 2.244 2.593 . 0 0 "[ . 1 . 2]" 1
472 1 9 VAL HA 1 12 LEU HG 3.310 . 3.310 3.286 3.105 3.386 0.076 14 0 "[ . 1 . 2]" 1
473 1 41 LEU HG 1 45 MET QG 4.540 . 4.540 4.210 3.008 4.573 0.033 9 0 "[ . 1 . 2]" 1
474 1 13 THR HA 1 14 GLU QB 4.280 . 4.280 4.249 4.063 4.362 0.082 4 0 "[ . 1 . 2]" 1
475 1 77 PHE HA 1 80 MET QG 3.940 . 3.940 3.768 1.905 4.020 0.080 1 0 "[ . 1 . 2]" 1
476 1 16 GLN HA 1 16 GLN QG 3.400 . 3.400 2.512 1.945 3.325 . 0 0 "[ . 1 . 2]" 1
477 1 58 GLN HA 1 61 ILE HB 3.630 . 3.630 3.204 2.810 3.563 . 0 0 "[ . 1 . 2]" 1
478 1 81 MET HA 1 81 MET QG 3.390 . 3.390 2.314 1.913 2.904 . 0 0 "[ . 1 . 2]" 1
479 1 12 LEU QD 1 78 LEU QD 3.230 . 3.230 2.657 2.018 3.177 . 0 0 "[ . 1 . 2]" 1
480 1 8 ALA MB 1 82 VAL QG . . 3.130 2.202 1.771 3.128 0.029 19 0 "[ . 1 . 2]" 1
481 1 8 ALA MB 1 9 VAL QG 3.250 . 3.250 3.014 2.728 3.247 . 0 0 "[ . 1 . 2]" 1
482 1 44 VAL QG 1 48 LEU QD 3.670 . 3.670 2.473 1.955 3.207 . 0 0 "[ . 1 . 2]" 1
483 1 23 ALA MB 1 48 LEU QD 3.490 . 3.490 2.143 1.779 2.728 0.021 4 0 "[ . 1 . 2]" 1
484 1 61 ILE MG 1 72 VAL QG 3.870 . 3.870 1.848 1.746 2.023 0.054 13 0 "[ . 1 . 2]" 1
485 1 38 THR MG 1 61 ILE MD . . 2.960 2.084 1.837 2.683 . 0 0 "[ . 1 . 2]" 1
486 1 38 THR HA 1 41 LEU QB 3.450 . 3.450 2.280 2.087 2.876 . 0 0 "[ . 1 . 2]" 1
487 1 26 ILE HA 1 26 ILE QG 3.860 . 3.860 2.301 2.126 2.396 . 0 0 "[ . 1 . 2]" 1
488 1 17 LYS HA 1 17 LYS QG 3.860 . 3.860 2.169 1.985 2.321 . 0 0 "[ . 1 . 2]" 1
489 1 41 LEU QB 1 44 VAL HB 4.290 . 4.290 4.179 3.889 4.312 0.022 8 0 "[ . 1 . 2]" 1
490 1 19 GLU HA 1 22 ALA MB 3.720 . 3.720 2.573 2.144 2.934 . 0 0 "[ . 1 . 2]" 1
491 1 6 LYS HA 1 6 LYS QG 3.530 . 3.530 2.278 2.064 2.886 . 0 0 "[ . 1 . 2]" 1
492 1 83 ARG HA 1 83 ARG QG 3.600 . 3.600 2.486 1.976 3.322 . 0 0 "[ . 1 . 2]" 1
493 1 21 LYS HA 1 21 LYS QD 4.300 . 4.300 3.059 2.040 3.891 . 0 0 "[ . 1 . 2]" 1
494 1 45 MET HA 1 48 LEU QD 4.170 . 4.170 3.408 2.881 4.066 . 0 0 "[ . 1 . 2]" 1
495 1 80 MET HA 1 83 ARG QB 4.300 . 4.300 3.052 2.166 4.112 . 0 0 "[ . 1 . 2]" 1
496 1 28 VAL QG 1 31 ALA MB 4.050 . 4.050 3.041 2.780 3.466 . 0 0 "[ . 1 . 2]" 1
497 1 41 LEU QD 1 42 GLY QA . . 3.640 3.673 3.437 3.725 0.085 7 0 "[ . 1 . 2]" 1
498 1 12 LEU QD 1 85 MET ME 3.090 . 3.090 2.829 2.313 3.113 0.023 17 0 "[ . 1 . 2]" 1
499 1 26 ILE MD 1 47 MET ME 3.350 . 3.350 2.124 1.809 3.212 . 0 0 "[ . 1 . 2]" 1
500 1 26 ILE MG 1 47 MET ME 3.680 . 3.680 3.133 2.226 3.683 0.003 7 0 "[ . 1 . 2]" 1
501 1 61 ILE QG 1 80 MET ME 4.370 . 4.370 2.712 1.888 3.919 . 0 0 "[ . 1 . 2]" 1
502 1 44 VAL QG 1 45 MET ME 3.170 . 3.170 3.241 3.163 3.372 0.202 6 0 "[ . 1 . 2]" 1
503 1 57 LEU QD 1 60 MET ME 2.740 . 2.740 2.784 2.716 2.858 0.118 10 0 "[ . 1 . 2]" 1
504 1 81 MET ME 1 81 MET QG 2.580 . 2.580 2.053 1.919 2.154 . 0 0 "[ . 1 . 2]" 1
505 1 4 ILE QG 1 4 ILE MG 3.060 . 3.060 2.076 1.876 2.244 . 0 0 "[ . 1 . 2]" 1
506 1 28 VAL QG 1 34 GLY QA 3.950 . 3.950 2.028 1.845 2.266 . 0 0 "[ . 1 . 2]" 1
507 1 26 ILE MD 1 26 ILE MG . . 2.970 2.206 1.869 2.936 . 0 0 "[ . 1 . 2]" 1
508 1 38 THR HB 1 57 LEU QD 3.640 . 3.640 3.522 2.853 3.691 0.051 1 0 "[ . 1 . 2]" 1
509 1 64 VAL QG 1 65 ASP QB 4.390 . 4.390 3.823 2.935 4.345 . 0 0 "[ . 1 . 2]" 1
510 1 54 PRO HA 1 57 LEU QD 4.100 . 4.100 2.993 2.858 3.135 . 0 0 "[ . 1 . 2]" 1
511 1 38 THR HA 1 41 LEU QD 3.660 . 3.660 3.652 3.533 3.723 0.063 6 0 "[ . 1 . 2]" 1
512 1 24 PHE HA 1 28 VAL QG 4.360 . 4.360 3.603 3.242 4.326 . 0 0 "[ . 1 . 2]" 1
513 1 41 LEU QD 1 45 MET QG 4.160 . 4.160 2.032 1.802 2.496 . 0 0 "[ . 1 . 2]" 1
514 1 4 ILE QG 1 5 TYR HA 4.330 . 4.330 3.867 3.337 4.234 . 0 0 "[ . 1 . 2]" 1
515 1 45 MET HA 1 45 MET ME 3.220 . 3.220 2.188 1.787 2.537 0.013 11 0 "[ . 1 . 2]" 1
516 1 58 GLN HA 1 61 ILE MD 3.630 . 3.630 3.496 3.150 3.687 0.057 16 0 "[ . 1 . 2]" 1
517 1 72 VAL HA 1 73 ASP H 3.190 . 3.190 2.214 2.185 2.250 . 0 0 "[ . 1 . 2]" 1
518 1 24 PHE HZ 1 73 ASP HA 4.180 . 4.180 2.373 1.870 2.978 . 0 0 "[ . 1 . 2]" 1
519 1 51 ASN HA 1 52 PRO QG 4.280 . 4.280 4.334 4.250 4.430 0.150 20 0 "[ . 1 . 2]" 1
520 1 53 THR HA 1 53 THR MG 3.400 . 3.400 2.228 1.948 3.183 . 0 0 "[ . 1 . 2]" 1
521 1 61 ILE MG 1 65 ASP QB 4.500 . 4.500 3.073 2.679 3.416 . 0 0 "[ . 1 . 2]" 1
522 1 38 THR HB 1 61 ILE MD 4.380 . 4.380 2.839 2.508 3.365 . 0 0 "[ . 1 . 2]" 1
523 1 61 ILE HB 1 61 ILE MD 2.990 . 2.990 2.243 2.019 2.421 . 0 0 "[ . 1 . 2]" 1
524 1 26 ILE HA 1 26 ILE MD . . 4.410 3.759 3.397 3.847 . 0 0 "[ . 1 . 2]" 1
525 1 36 ILE MD 1 77 PHE QD 5.030 . 5.030 4.508 3.527 5.115 0.085 18 0 "[ . 1 . 2]" 1
526 1 36 ILE MD 1 41 LEU HA 4.500 . 4.500 4.130 3.561 4.577 0.077 17 0 "[ . 1 . 2]" 1
527 1 27 PHE QB 1 36 ILE MD 4.490 . 4.490 3.039 1.950 3.819 . 0 0 "[ . 1 . 2]" 1
528 1 77 PHE HA 1 80 MET QB 4.430 . 4.430 2.292 1.974 3.188 . 0 0 "[ . 1 . 2]" 1
529 1 78 LEU QD 1 82 VAL QG 4.140 . 4.140 3.477 2.919 4.167 0.027 14 0 "[ . 1 . 2]" 1
530 1 6 LYS HA 1 9 VAL HB 3.850 . 3.850 3.252 2.243 3.895 0.045 13 0 "[ . 1 . 2]" 1
531 1 8 ALA HA 1 12 LEU HG 3.800 . 3.800 3.844 3.730 3.937 0.137 1 0 "[ . 1 . 2]" 1
532 1 14 GLU HA 1 17 LYS H 4.460 . 4.460 3.403 3.135 3.742 . 0 0 "[ . 1 . 2]" 1
533 1 16 GLN HA 1 19 GLU QG 3.110 . 3.110 2.679 1.797 3.206 0.096 16 0 "[ . 1 . 2]" 1
534 1 17 LYS HA 1 17 LYS QD 4.420 . 4.420 3.728 2.283 4.020 . 0 0 "[ . 1 . 2]" 1
535 1 17 LYS HA 1 20 PHE QB 3.980 . 3.980 2.894 2.262 3.962 . 0 0 "[ . 1 . 2]" 1
536 1 12 LEU QD 1 17 LYS HA 4.720 . 4.720 4.219 3.622 4.670 . 0 0 "[ . 1 . 2]" 1
537 1 17 LYS HA 1 78 LEU QD 4.450 . 4.450 3.630 2.701 4.273 . 0 0 "[ . 1 . 2]" 1
538 1 18 ASN HA 1 21 LYS QB 3.480 . 3.480 2.851 2.317 3.427 . 0 0 "[ . 1 . 2]" 1
539 1 20 PHE HA 1 48 LEU QD 3.900 . 3.900 3.231 2.688 3.875 . 0 0 "[ . 1 . 2]" 1
540 1 21 LYS HA 1 24 PHE QD 4.730 . 4.730 4.307 3.373 4.750 0.020 13 0 "[ . 1 . 2]" 1
541 1 22 ALA HA 1 23 ALA H 4.570 . 4.570 3.582 3.554 3.604 . 0 0 "[ . 1 . 2]" 1
542 1 26 ILE MG 1 27 PHE HA 4.520 . 4.520 3.460 3.040 3.620 . 0 0 "[ . 1 . 2]" 1
543 1 28 VAL HA 1 31 ALA MB 4.660 . 4.660 2.231 2.007 2.498 . 0 0 "[ . 1 . 2]" 1
544 1 29 GLN HA 1 30 GLY H 4.480 . 4.480 3.573 3.543 3.600 . 0 0 "[ . 1 . 2]" 1
545 1 32 GLU HA 1 32 GLU QG 3.640 . 3.640 2.365 2.026 3.382 . 0 0 "[ . 1 . 2]" 1
546 1 28 VAL HB 1 34 GLY QA 4.760 . 4.760 4.448 4.039 4.765 0.005 12 0 "[ . 1 . 2]" 1
547 1 35 SER HA 1 36 ILE MD 4.240 . 4.240 3.986 3.497 4.345 0.105 13 0 "[ . 1 . 2]" 1
548 1 24 PHE HZ 1 35 SER HA 4.170 . 4.170 3.704 3.126 4.188 0.018 13 0 "[ . 1 . 2]" 1
549 1 43 LYS HA 1 43 LYS QG 4.010 . 4.010 2.257 2.012 2.793 . 0 0 "[ . 1 . 2]" 1
550 1 76 GLU HA 1 79 VAL QG . . 3.560 3.244 1.928 3.569 0.009 16 0 "[ . 1 . 2]" 1
551 1 53 THR HA 1 53 THR HB 3.000 . 3.000 2.632 2.359 2.811 . 0 0 "[ . 1 . 2]" 1
552 1 38 THR MG 1 58 GLN HA 5.060 . 5.060 2.866 1.795 3.655 0.005 20 0 "[ . 1 . 2]" 1
553 1 58 GLN HA 1 61 ILE H 4.450 . 4.450 3.815 3.659 4.036 . 0 0 "[ . 1 . 2]" 1
554 1 59 GLU HA 1 59 GLU QG 3.790 . 3.790 2.766 2.310 3.390 . 0 0 "[ . 1 . 2]" 1
555 1 59 GLU QG 1 60 MET HA 3.850 . 3.850 3.615 3.010 3.906 0.056 10 0 "[ . 1 . 2]" 1
556 1 61 ILE MG 1 62 ASP HA 4.490 . 4.490 3.272 3.065 3.602 . 0 0 "[ . 1 . 2]" 1
557 1 38 THR MG 1 70 GLY QA 4.530 . 4.530 3.703 3.159 4.379 . 0 0 "[ . 1 . 2]" 1
558 1 37 SER HA 1 71 THR HA 3.630 . 3.630 2.507 2.205 3.161 . 0 0 "[ . 1 . 2]" 1
559 1 78 LEU HA 1 81 MET QB 4.140 . 4.140 2.882 2.605 3.394 . 0 0 "[ . 1 . 2]" 1
560 1 81 MET HA 1 84 SER QB 3.660 . 3.660 3.203 2.636 3.736 0.076 10 0 "[ . 1 . 2]" 1
561 1 83 ARG HA 1 84 SER H 4.690 . 4.690 3.561 3.522 3.601 . 0 0 "[ . 1 . 2]" 1
562 1 5 TYR QB 1 79 VAL QG 4.690 . 4.690 3.399 1.887 4.709 0.019 14 0 "[ . 1 . 2]" 1
563 1 10 GLU QB 1 11 GLN H 4.470 . 4.470 2.670 2.454 3.575 . 0 0 "[ . 1 . 2]" 1
564 1 13 THR H 1 16 GLN QB 5.030 . 5.030 3.107 2.372 4.519 . 0 0 "[ . 1 . 2]" 1
565 1 12 LEU QD 1 16 GLN QB 4.620 . 4.620 2.564 1.899 3.696 . 0 0 "[ . 1 . 2]" 1
566 1 15 GLU HA 1 18 ASN QB . . 4.480 2.898 2.613 3.426 . 0 0 "[ . 1 . 2]" 1
567 1 15 GLU QB 1 18 ASN QB 4.950 . 4.950 4.661 4.331 5.002 0.052 7 0 "[ . 1 . 2]" 1
568 1 23 ALA HA 1 26 ILE HB 5.020 . 5.020 3.614 2.903 4.122 . 0 0 "[ . 1 . 2]" 1
569 1 27 PHE QB 1 36 ILE MG . . 4.440 3.385 2.661 3.867 . 0 0 "[ . 1 . 2]" 1
570 1 27 PHE QB 1 28 VAL QG 4.510 . 4.510 3.593 3.379 4.388 . 0 0 "[ . 1 . 2]" 1
571 1 28 VAL HB 1 29 GLN H 5.050 . 5.050 2.918 2.534 3.815 . 0 0 "[ . 1 . 2]" 1
572 1 29 GLN QB 1 30 GLY QA 6.000 . 6.000 3.756 3.589 4.272 . 0 0 "[ . 1 . 2]" 1
573 1 36 ILE HB 1 41 LEU QD 4.630 . 4.630 2.212 1.834 2.900 . 0 0 "[ . 1 . 2]" 1
574 1 45 MET QB 1 46 ARG H 4.810 . 4.810 2.359 2.216 2.505 . 0 0 "[ . 1 . 2]" 1
575 1 64 VAL QG 1 80 MET QG 4.440 . 4.440 3.041 1.784 4.274 0.016 14 0 "[ . 1 . 2]" 1
576 1 45 MET HA 1 48 LEU QB 4.990 . 4.990 2.803 2.447 3.191 . 0 0 "[ . 1 . 2]" 1
577 1 9 VAL HB 1 10 GLU H 4.510 . 4.510 2.590 2.417 2.780 . 0 0 "[ . 1 . 2]" 1
578 1 55 GLU QB 1 56 GLU H . . 4.560 3.460 2.835 3.594 . 0 0 "[ . 1 . 2]" 1
579 1 55 GLU H 1 56 GLU QB 4.390 . 4.390 4.375 4.135 4.457 0.067 17 0 "[ . 1 . 2]" 1
580 1 57 LEU QB 1 58 GLN H 4.940 . 4.940 2.636 2.416 2.820 . 0 0 "[ . 1 . 2]" 1
581 1 58 GLN QB 1 58 GLN QG . . 2.410 2.044 2.023 2.065 . 0 0 "[ . 1 . 2]" 1
582 1 63 GLU QB 1 64 VAL H 4.940 . 4.940 2.536 2.374 2.818 . 0 0 "[ . 1 . 2]" 1
583 1 36 ILE MD 1 72 VAL HB 4.960 . 4.960 3.866 3.138 4.997 0.037 17 0 "[ . 1 . 2]" 1
584 1 36 ILE MG 1 40 GLU QB . . 4.160 1.981 1.770 2.844 0.030 1 0 "[ . 1 . 2]" 1
585 1 79 VAL HB 1 80 MET H 4.410 . 4.410 2.853 2.482 4.042 . 0 0 "[ . 1 . 2]" 1
586 1 76 GLU HA 1 79 VAL HB 3.890 . 3.890 3.001 2.653 3.945 0.055 20 0 "[ . 1 . 2]" 1
587 1 72 VAL QG 1 80 MET QB . . 4.610 3.298 2.801 3.715 . 0 0 "[ . 1 . 2]" 1
588 1 81 MET QB 1 82 VAL H . . 4.380 2.511 2.333 2.673 . 0 0 "[ . 1 . 2]" 1
589 1 82 VAL HA 1 85 MET QB 4.770 . 4.770 2.645 2.131 4.537 . 0 0 "[ . 1 . 2]" 1
590 1 9 VAL HA 1 12 LEU QD 4.270 . 4.270 1.920 1.793 2.130 0.007 11 0 "[ . 1 . 2]" 1
591 1 9 VAL QG 1 78 LEU QD 3.100 . 3.100 2.275 1.799 3.147 0.047 20 0 "[ . 1 . 2]" 1
592 1 12 LEU QD 1 16 GLN QG 5.580 . 5.580 2.806 1.930 3.637 . 0 0 "[ . 1 . 2]" 1
593 1 17 LYS QG 1 78 LEU QD 4.660 . 4.660 3.049 2.004 4.195 . 0 0 "[ . 1 . 2]" 1
594 1 36 ILE MG 1 41 LEU HA 4.240 . 4.240 2.644 2.110 3.655 . 0 0 "[ . 1 . 2]" 1
595 1 36 ILE MG 1 41 LEU QD 2.870 . 2.870 2.056 1.768 2.928 0.058 13 0 "[ . 1 . 2]" 1
596 1 41 LEU H 1 41 LEU HG 5.000 . 5.000 4.364 4.111 4.488 . 0 0 "[ . 1 . 2]" 1
597 1 40 GLU HA 1 43 LYS QG 5.760 . 5.760 4.712 3.630 5.720 . 0 0 "[ . 1 . 2]" 1
598 1 44 VAL QG 1 45 MET QG 4.830 . 4.830 2.763 2.344 3.991 . 0 0 "[ . 1 . 2]" 1
599 1 43 LYS QB 1 44 VAL QG 3.790 . 3.790 3.377 3.099 3.660 . 0 0 "[ . 1 . 2]" 1
600 1 27 PHE QB 1 44 VAL QG 4.900 . 4.900 3.369 2.696 4.014 . 0 0 "[ . 1 . 2]" 1
601 1 46 ARG H 1 46 ARG QG . . 4.910 3.216 2.259 3.927 . 0 0 "[ . 1 . 2]" 1
602 1 46 ARG QG 1 50 GLN QB 5.040 . 5.040 4.556 3.809 5.093 0.053 11 0 "[ . 1 . 2]" 1
603 1 47 MET QG 1 48 LEU QB 5.150 . 5.150 4.866 3.001 5.163 0.013 5 0 "[ . 1 . 2]" 1
604 1 44 VAL HA 1 47 MET QG 5.180 . 5.180 4.519 2.627 5.063 . 0 0 "[ . 1 . 2]" 1
605 1 57 LEU H 1 57 LEU HG 4.670 . 4.670 4.420 4.354 4.503 . 0 0 "[ . 1 . 2]" 1
606 1 48 LEU H 1 48 LEU HG 4.780 . 4.780 3.647 2.908 4.347 . 0 0 "[ . 1 . 2]" 1
607 1 58 GLN QG 1 59 GLU HA 4.890 . 4.890 4.051 3.267 4.897 0.007 20 0 "[ . 1 . 2]" 1
608 1 70 GLY QA 1 71 THR MG 4.730 . 4.730 3.415 3.272 3.645 . 0 0 "[ . 1 . 2]" 1
609 1 71 THR HA 1 72 VAL QG 4.810 . 4.810 3.737 3.377 4.060 . 0 0 "[ . 1 . 2]" 1
610 1 41 LEU HG 1 72 VAL QG 4.460 . 4.460 2.727 1.861 4.099 . 0 0 "[ . 1 . 2]" 1
611 1 61 ILE QG 1 72 VAL QG . . 3.290 1.929 1.769 2.215 0.031 1 0 "[ . 1 . 2]" 1
612 1 79 VAL QG 1 83 ARG QG 4.500 . 4.500 3.696 2.669 4.479 . 0 0 "[ . 1 . 2]" 1
613 1 20 PHE QE 1 81 MET QG . . 5.200 3.147 2.004 4.652 . 0 0 "[ . 1 . 2]" 1
614 1 17 LYS QB 1 17 LYS QD 3.410 . 3.410 2.117 1.890 2.646 . 0 0 "[ . 1 . 2]" 1
615 1 17 LYS QD 1 78 LEU QD 5.020 . 5.020 4.033 3.025 5.033 0.013 6 0 "[ . 1 . 2]" 1
616 1 12 LEU QD 1 17 LYS QD 5.180 . 5.180 4.027 3.000 5.025 . 0 0 "[ . 1 . 2]" 1
617 1 36 ILE MD 1 40 GLU QB . . 4.640 4.496 3.594 4.714 0.074 5 0 "[ . 1 . 2]" 1
618 1 27 PHE QD 1 41 LEU QD 4.760 . 4.760 4.816 4.680 4.893 0.133 11 0 "[ . 1 . 2]" 1
619 1 41 LEU QD 1 77 PHE QD 5.030 . 5.030 3.238 2.531 3.865 . 0 0 "[ . 1 . 2]" 1
620 1 41 LEU QD 1 44 VAL QG 3.200 . 3.200 2.322 1.999 2.933 . 0 0 "[ . 1 . 2]" 1
621 1 43 LYS H 1 43 LYS QD 5.060 . 5.060 3.848 2.075 4.540 . 0 0 "[ . 1 . 2]" 1
622 1 45 MET QG 1 52 PRO QD 5.230 . 5.230 3.937 3.111 4.399 . 0 0 "[ . 1 . 2]" 1
623 1 51 ASN QB 1 52 PRO QD 5.380 . 5.380 3.792 3.716 3.897 . 0 0 "[ . 1 . 2]" 1
624 1 45 MET QG 1 57 LEU QD 4.740 . 4.740 2.563 2.198 2.934 . 0 0 "[ . 1 . 2]" 1
625 1 42 GLY QA 1 57 LEU QD . . 4.230 2.177 1.868 2.464 . 0 0 "[ . 1 . 2]" 1
626 1 54 PRO QB 1 57 LEU QD 4.030 . 4.030 4.040 3.753 4.134 0.104 5 0 "[ . 1 . 2]" 1
627 1 78 LEU QD 1 81 MET QB 4.750 . 4.750 3.826 3.248 4.459 . 0 0 "[ . 1 . 2]" 1
628 1 12 LEU QB 1 78 LEU QD 4.490 . 4.490 4.046 3.601 4.548 0.058 6 0 "[ . 1 . 2]" 1
629 1 5 TYR QE 1 83 ARG QD 5.170 . 5.170 3.659 2.158 4.785 . 0 0 "[ . 1 . 2]" 1
630 1 80 MET HA 1 83 ARG QD 5.310 . 5.310 2.699 1.770 3.426 0.030 6 0 "[ . 1 . 2]" 1
631 1 64 VAL QG 1 83 ARG QD 4.430 . 4.430 2.713 1.905 4.244 . 0 0 "[ . 1 . 2]" 1
632 1 80 MET QG 1 83 ARG QD 4.510 . 4.510 3.991 3.032 4.509 . 0 0 "[ . 1 . 2]" 1
633 1 45 MET ME 1 52 PRO QD 3.950 . 3.950 4.016 3.972 4.057 0.107 13 0 "[ . 1 . 2]" 1
634 1 45 MET ME 1 50 GLN QG 3.040 . 3.040 1.838 1.746 2.126 0.054 19 0 "[ . 1 . 2]" 1
635 1 45 MET QG 1 80 MET ME 2.760 . 2.760 2.774 2.560 2.846 0.086 19 0 "[ . 1 . 2]" 1
636 1 16 GLN QE 1 85 MET ME 4.450 . 4.450 3.485 2.073 4.435 . 0 0 "[ . 1 . 2]" 1
637 1 24 PHE HA 1 36 ILE MD 5.420 . 5.420 3.549 2.861 4.087 . 0 0 "[ . 1 . 2]" 1
638 1 41 LEU HA 1 61 ILE MD 4.000 . 4.000 4.123 4.082 4.178 0.178 5 0 "[ . 1 . 2]" 1
639 1 35 SER HA 1 36 ILE QG 4.470 . 4.470 3.374 2.834 3.924 . 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 2
_Distance_constraint_stats_list.Viol_count 21
_Distance_constraint_stats_list.Viol_total 66.536
_Distance_constraint_stats_list.Viol_max 0.524
_Distance_constraint_stats_list.Viol_rms 0.1490
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0832
_Distance_constraint_stats_list.Viol_average_violations_only 0.1584
_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 65 ASP 3.327 0.524 13 1 "[ . 1 + . 2]"
1 70 GLY 3.327 0.524 13 1 "[ . 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 65 ASP OD2 1 70 GLY H 2.000 . 2.300 2.427 2.181 2.824 0.524 13 1 "[ . 1 + . 2]" 2
2 1 65 ASP OD2 1 70 GLY N 2.900 2.500 3.300 3.179 2.922 3.553 0.253 4 0 "[ . 1 . 2]" 2
stop_
save_
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