NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450601 |
2rmo   |
11026 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rmo
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 1249
_Distance_constraint_stats_list.Viol_count 1192
_Distance_constraint_stats_list.Viol_total 483.655
_Distance_constraint_stats_list.Viol_max 0.201
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0203
_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 1 MET 0.006 0.004 20 0 "[ . 1 . 2]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.055 0.044 15 0 "[ . 1 . 2]"
1 4 THR 0.811 0.056 17 0 "[ . 1 . 2]"
1 5 GLY 0.733 0.136 17 0 "[ . 1 . 2]"
1 6 LYS 1.950 0.140 8 0 "[ . 1 . 2]"
1 7 GLU 1.088 0.118 16 0 "[ . 1 . 2]"
1 8 LEU 2.667 0.148 13 0 "[ . 1 . 2]"
1 9 VAL 0.831 0.051 18 0 "[ . 1 . 2]"
1 10 LEU 1.568 0.099 4 0 "[ . 1 . 2]"
1 11 ALA 2.041 0.099 4 0 "[ . 1 . 2]"
1 12 LEU 0.175 0.018 16 0 "[ . 1 . 2]"
1 13 TYR 0.246 0.047 11 0 "[ . 1 . 2]"
1 14 ASP 0.783 0.151 20 0 "[ . 1 . 2]"
1 15 TYR 2.578 0.151 20 0 "[ . 1 . 2]"
1 16 GLN 1.081 0.083 16 0 "[ . 1 . 2]"
1 17 GLU 0.200 0.047 15 0 "[ . 1 . 2]"
1 18 LYS 0.323 0.022 11 0 "[ . 1 . 2]"
1 19 SER 0.175 0.029 19 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.108 0.015 10 0 "[ . 1 . 2]"
1 22 GLU 0.922 0.038 11 0 "[ . 1 . 2]"
1 23 VAL 1.665 0.150 15 0 "[ . 1 . 2]"
1 24 THR 3.577 0.150 15 0 "[ . 1 . 2]"
1 25 MET 0.789 0.136 19 0 "[ . 1 . 2]"
1 26 LYS 0.343 0.071 20 0 "[ . 1 . 2]"
1 27 LYS 0.075 0.018 12 0 "[ . 1 . 2]"
1 28 GLY 0.021 0.009 20 0 "[ . 1 . 2]"
1 29 ASP 0.671 0.057 4 0 "[ . 1 . 2]"
1 30 ILE 0.417 0.052 8 0 "[ . 1 . 2]"
1 31 LEU 1.010 0.179 20 0 "[ . 1 . 2]"
1 32 THR 2.893 0.148 13 0 "[ . 1 . 2]"
1 33 LEU 1.197 0.096 16 0 "[ . 1 . 2]"
1 34 LEU 0.513 0.030 14 0 "[ . 1 . 2]"
1 35 ASN 0.111 0.023 13 0 "[ . 1 . 2]"
1 36 SER 0.261 0.040 17 0 "[ . 1 . 2]"
1 37 THR 0.426 0.201 11 0 "[ . 1 . 2]"
1 38 ASN 0.048 0.006 7 0 "[ . 1 . 2]"
1 39 LYS 0.007 0.007 16 0 "[ . 1 . 2]"
1 40 ASP 0.030 0.010 17 0 "[ . 1 . 2]"
1 41 TRP 0.034 0.011 11 0 "[ . 1 . 2]"
1 42 TRP 0.960 0.040 17 0 "[ . 1 . 2]"
1 43 LYS 0.522 0.035 9 0 "[ . 1 . 2]"
1 44 VAL 0.558 0.039 20 0 "[ . 1 . 2]"
1 45 GLU 0.048 0.010 5 0 "[ . 1 . 2]"
1 46 VAL 0.429 0.082 19 0 "[ . 1 . 2]"
1 47 LYS 0.337 0.094 11 0 "[ . 1 . 2]"
1 48 ALA 0.021 0.005 4 0 "[ . 1 . 2]"
1 49 THR 0.011 0.009 18 0 "[ . 1 . 2]"
1 50 ALA 0.070 0.032 7 0 "[ . 1 . 2]"
1 51 ASN 0.137 0.032 7 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.103 0.031 7 0 "[ . 1 . 2]"
1 54 THR 0.063 0.011 11 0 "[ . 1 . 2]"
1 55 TYR 0.022 0.007 2 0 "[ . 1 . 2]"
1 56 GLU 0.045 0.042 19 0 "[ . 1 . 2]"
1 57 ARG 0.127 0.024 9 0 "[ . 1 . 2]"
1 58 GLN 0.228 0.032 16 0 "[ . 1 . 2]"
1 59 GLY 0.349 0.048 19 0 "[ . 1 . 2]"
1 60 PHE 0.697 0.036 11 0 "[ . 1 . 2]"
1 61 VAL 0.866 0.179 20 0 "[ . 1 . 2]"
1 62 PRO 2.114 0.097 20 0 "[ . 1 . 2]"
1 63 ALA 0.264 0.028 4 0 "[ . 1 . 2]"
1 64 ALA 1.501 0.071 17 0 "[ . 1 . 2]"
1 65 TYR 1.688 0.097 20 0 "[ . 1 . 2]"
1 66 VAL 1.384 0.073 16 0 "[ . 1 . 2]"
1 67 LYS 0.693 0.104 14 0 "[ . 1 . 2]"
1 68 LYS 0.331 0.053 13 0 "[ . 1 . 2]"
1 69 LEU 0.900 0.051 18 0 "[ . 1 . 2]"
1 70 ASP 0.488 0.104 14 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 THR MG 1 25 MET H . . 3.080 2.931 2.349 3.216 0.136 19 0 "[ . 1 . 2]" 1
2 1 50 ALA HA 1 51 ASN H . . 2.900 2.252 2.179 2.306 . 0 0 "[ . 1 . 2]" 1
3 1 44 VAL H 1 61 VAL MG1 . . 4.640 3.836 3.601 3.991 . 0 0 "[ . 1 . 2]" 1
4 1 44 VAL H 1 44 VAL MG1 . . 3.620 2.858 2.636 3.094 . 0 0 "[ . 1 . 2]" 1
5 1 23 VAL MG2 1 44 VAL H . . 4.360 3.618 3.431 3.846 . 0 0 "[ . 1 . 2]" 1
6 1 44 VAL H 1 44 VAL MG2 . . 2.880 2.096 1.932 2.306 . 0 0 "[ . 1 . 2]" 1
7 1 42 TRP H 1 42 TRP HB3 . . 3.970 3.757 3.673 3.806 . 0 0 "[ . 1 . 2]" 1
8 1 42 TRP H 1 61 VAL MG2 . . 3.970 2.861 2.729 2.990 . 0 0 "[ . 1 . 2]" 1
9 1 30 ILE HG12 1 31 LEU H . . 4.740 4.487 4.366 4.658 . 0 0 "[ . 1 . 2]" 1
10 1 31 LEU H 1 31 LEU QD . . 3.560 2.564 2.188 3.284 . 0 0 "[ . 1 . 2]" 1
11 1 30 ILE MG 1 31 LEU H . . 3.190 2.285 2.161 2.674 . 0 0 "[ . 1 . 2]" 1
12 1 12 LEU H 1 12 LEU HB3 . . 4.040 3.600 3.577 3.667 . 0 0 "[ . 1 . 2]" 1
13 1 12 LEU H 1 12 LEU MD1 . . 4.130 3.445 3.220 3.534 . 0 0 "[ . 1 . 2]" 1
14 1 12 LEU H 1 66 VAL QG . . 3.730 3.379 3.151 3.597 . 0 0 "[ . 1 . 2]" 1
15 1 36 SER H 1 37 THR MG . . 4.330 4.130 3.367 4.338 0.008 7 0 "[ . 1 . 2]" 1
16 1 11 ALA H 1 31 LEU QD . . 5.500 4.170 3.678 4.921 . 0 0 "[ . 1 . 2]" 1
17 1 23 VAL MG1 1 60 PHE H . . 4.350 3.809 3.694 3.879 . 0 0 "[ . 1 . 2]" 1
18 1 48 ALA MB 1 55 TYR H . . 4.160 3.625 3.281 4.055 . 0 0 "[ . 1 . 2]" 1
19 1 9 VAL H 1 30 ILE MG . . 3.750 2.960 2.814 3.229 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS QD 1 33 LEU H . . 5.330 4.503 3.863 5.411 0.081 4 0 "[ . 1 . 2]" 1
21 1 9 VAL H 1 9 VAL QG . . 3.470 2.079 1.997 2.131 . 0 0 "[ . 1 . 2]" 1
22 1 23 VAL MG2 1 46 VAL H . . 5.230 4.736 4.389 5.187 . 0 0 "[ . 1 . 2]" 1
23 1 23 VAL MG2 1 61 VAL H . . 5.410 4.099 3.877 4.354 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL H 1 31 LEU QD . . 5.330 4.548 4.053 5.031 . 0 0 "[ . 1 . 2]" 1
25 1 31 LEU QD 1 46 VAL H . . 5.500 4.364 3.831 4.770 . 0 0 "[ . 1 . 2]" 1
26 1 33 LEU MD2 1 34 LEU H . . 4.010 2.199 1.903 2.561 . 0 0 "[ . 1 . 2]" 1
27 1 61 VAL H 1 61 VAL MG1 . . 3.710 3.117 2.908 3.249 . 0 0 "[ . 1 . 2]" 1
28 1 44 VAL MG2 1 46 VAL H . . 4.420 4.185 3.874 4.426 0.006 5 0 "[ . 1 . 2]" 1
29 1 44 VAL MG2 1 61 VAL H . . 4.670 3.891 3.646 4.153 . 0 0 "[ . 1 . 2]" 1
30 1 61 VAL H 1 61 VAL MG2 . . 3.120 2.294 2.182 2.405 . 0 0 "[ . 1 . 2]" 1
31 1 33 LEU HA 1 34 LEU H . . 2.940 2.166 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
32 1 34 LEU H 1 34 LEU HB3 . . 3.930 3.549 3.462 3.721 . 0 0 "[ . 1 . 2]" 1
33 1 34 LEU H 1 34 LEU HB2 . . 3.300 2.362 2.206 2.545 . 0 0 "[ . 1 . 2]" 1
34 1 46 VAL H 1 46 VAL HB . . 3.970 3.485 2.717 3.785 . 0 0 "[ . 1 . 2]" 1
35 1 33 LEU H 1 33 LEU HG . . 5.240 4.605 4.548 4.666 . 0 0 "[ . 1 . 2]" 1
36 1 33 LEU HG 1 34 LEU H . . 5.500 4.495 4.375 4.822 . 0 0 "[ . 1 . 2]" 1
37 1 34 LEU H 1 44 VAL MG1 . . 3.550 3.339 3.025 3.561 0.011 2 0 "[ . 1 . 2]" 1
38 1 10 LEU H 1 10 LEU QD . . 4.380 3.787 3.709 3.831 . 0 0 "[ . 1 . 2]" 1
39 1 9 VAL QG 1 10 LEU H . . 4.040 3.338 3.255 3.408 . 0 0 "[ . 1 . 2]" 1
40 1 26 LYS H 1 26 LYS QG . . 4.220 3.581 2.688 4.148 . 0 0 "[ . 1 . 2]" 1
41 1 27 LYS QD 1 28 GLY H . . 5.470 5.403 5.106 5.479 0.009 20 0 "[ . 1 . 2]" 1
42 1 49 THR HB 1 50 ALA H . . 4.410 4.187 3.903 4.347 . 0 0 "[ . 1 . 2]" 1
43 1 33 LEU MD1 1 43 LYS H . . 4.850 4.207 3.450 4.854 0.004 12 0 "[ . 1 . 2]" 1
44 1 50 ALA H 1 50 ALA MB . . 3.330 2.667 2.515 2.787 . 0 0 "[ . 1 . 2]" 1
45 1 11 ALA MB 1 28 GLY H . . 3.200 2.893 2.417 3.203 0.003 5 0 "[ . 1 . 2]" 1
46 1 35 ASN HB3 1 43 LYS H . . 4.450 3.686 3.036 4.097 . 0 0 "[ . 1 . 2]" 1
47 1 43 LYS H 1 44 VAL MG1 . . 4.620 4.088 3.910 4.304 . 0 0 "[ . 1 . 2]" 1
48 1 17 GLU HA 1 18 LYS H . . 2.840 2.255 2.199 2.324 . 0 0 "[ . 1 . 2]" 1
49 1 15 TYR H 1 24 THR MG . . 4.560 4.497 3.480 4.635 0.075 3 0 "[ . 1 . 2]" 1
50 1 32 THR MG 1 45 GLU H . . 5.210 4.477 3.762 4.948 . 0 0 "[ . 1 . 2]" 1
51 1 48 ALA H 1 48 ALA MB . . 3.100 2.563 2.387 2.710 . 0 0 "[ . 1 . 2]" 1
52 1 45 GLU H 1 46 VAL QG . . 4.900 4.213 4.005 4.431 . 0 0 "[ . 1 . 2]" 1
53 1 46 VAL QG 1 48 ALA H . . 5.500 4.632 4.287 4.841 . 0 0 "[ . 1 . 2]" 1
54 1 14 ASP HB2 1 15 TYR H . . 3.910 2.856 2.364 3.838 . 0 0 "[ . 1 . 2]" 1
55 1 15 TYR H 1 26 LYS QG . . 5.500 4.414 3.694 5.027 . 0 0 "[ . 1 . 2]" 1
56 1 35 ASN HB3 1 38 ASN H . . 5.060 5.008 4.829 5.065 0.005 8 0 "[ . 1 . 2]" 1
57 1 37 THR MG 1 38 ASN H . . 4.160 2.396 2.103 3.819 . 0 0 "[ . 1 . 2]" 1
58 1 44 VAL MG2 1 59 GLY H . . 3.740 3.441 3.135 3.673 . 0 0 "[ . 1 . 2]" 1
59 1 23 VAL MG1 1 59 GLY H . . 3.690 2.986 2.232 3.497 . 0 0 "[ . 1 . 2]" 1
60 1 23 VAL MG2 1 59 GLY H . . 3.740 3.298 3.141 3.641 . 0 0 "[ . 1 . 2]" 1
61 1 66 VAL QG 1 67 LYS H . . 3.820 3.371 3.160 3.484 . 0 0 "[ . 1 . 2]" 1
62 1 58 GLN H 1 58 GLN HG2 . . 4.590 4.095 3.776 4.497 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLU H 1 8 LEU MD1 . . 5.060 4.500 3.772 4.937 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLU H 1 8 LEU MD2 . . 5.060 4.148 2.350 5.112 0.052 1 0 "[ . 1 . 2]" 1
65 1 38 ASN HB3 1 39 LYS H . . 4.240 2.950 2.767 3.183 . 0 0 "[ . 1 . 2]" 1
66 1 54 THR H 1 54 THR HB . . 3.670 3.565 3.526 3.610 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLU HA 1 8 LEU H . . 2.760 2.280 2.140 2.684 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU H 1 8 LEU HB2 . . 3.630 2.468 2.121 2.726 . 0 0 "[ . 1 . 2]" 1
69 1 53 LYS QD 1 54 THR H . . 4.300 3.445 2.939 4.265 . 0 0 "[ . 1 . 2]" 1
70 1 47 LYS H 1 47 LYS HG2 . . 4.470 3.692 2.047 4.463 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU H 1 8 LEU MD2 . . 4.560 3.798 2.274 4.571 0.011 4 0 "[ . 1 . 2]" 1
72 1 54 THR H 1 54 THR MG . . 3.620 3.189 2.971 3.361 . 0 0 "[ . 1 . 2]" 1
73 1 46 VAL HA 1 47 LYS H . . 2.790 2.419 2.264 2.494 . 0 0 "[ . 1 . 2]" 1
74 1 47 LYS H 1 47 LYS HB2 . . 3.810 2.710 2.262 3.775 . 0 0 "[ . 1 . 2]" 1
75 1 31 LEU QD 1 47 LYS H . . 4.350 3.969 3.204 4.373 0.023 16 0 "[ . 1 . 2]" 1
76 1 4 THR HB 1 5 GLY H . . 4.350 3.848 3.465 4.322 . 0 0 "[ . 1 . 2]" 1
77 1 13 TYR HB2 1 14 ASP H . . 4.140 3.693 3.010 4.119 . 0 0 "[ . 1 . 2]" 1
78 1 4 THR H 1 4 THR HB . . 4.130 3.761 3.550 3.865 . 0 0 "[ . 1 . 2]" 1
79 1 4 THR H 1 4 THR MG . . 3.840 3.370 2.536 3.850 0.010 12 0 "[ . 1 . 2]" 1
80 1 38 ASN HB3 1 40 ASP H . . 4.670 3.159 2.541 3.459 . 0 0 "[ . 1 . 2]" 1
81 1 41 TRP H 1 41 TRP HB3 . . 4.130 3.837 3.773 3.909 . 0 0 "[ . 1 . 2]" 1
82 1 30 ILE H 1 30 ILE MG . . 4.140 3.925 3.865 3.971 . 0 0 "[ . 1 . 2]" 1
83 1 30 ILE H 1 30 ILE HG12 . . 4.060 3.957 3.650 4.064 0.004 14 0 "[ . 1 . 2]" 1
84 1 39 LYS QG 1 40 ASP H . . 4.100 2.968 2.136 4.089 . 0 0 "[ . 1 . 2]" 1
85 1 31 LEU QD 1 32 THR H . . 4.000 3.325 2.913 4.013 0.013 3 0 "[ . 1 . 2]" 1
86 1 31 LEU HB2 1 32 THR H . . 4.160 4.008 3.689 4.240 0.080 16 0 "[ . 1 . 2]" 1
87 1 32 THR H 1 32 THR MG . . 3.950 3.704 3.573 3.772 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS H 1 6 LYS QG . . 4.510 2.826 1.936 3.554 . 0 0 "[ . 1 . 2]" 1
89 1 16 GLN QB 1 17 GLU H . . 4.140 3.826 3.632 3.921 . 0 0 "[ . 1 . 2]" 1
90 1 53 LYS H 1 53 LYS QG . . 4.520 3.491 2.766 4.275 . 0 0 "[ . 1 . 2]" 1
91 1 63 ALA MB 1 64 ALA H . . 3.360 3.082 3.064 3.105 . 0 0 "[ . 1 . 2]" 1
92 1 20 PRO HD3 1 21 ARG H . . 4.410 3.875 3.836 3.913 . 0 0 "[ . 1 . 2]" 1
93 1 17 GLU HA 1 19 SER H . . 4.070 3.789 3.677 3.991 . 0 0 "[ . 1 . 2]" 1
94 1 17 GLU HB3 1 19 SER H . . 4.920 4.625 4.309 4.930 0.010 6 0 "[ . 1 . 2]" 1
95 1 34 LEU HB3 1 58 GLN HE21 . . 5.070 3.454 2.568 4.394 . 0 0 "[ . 1 . 2]" 1
96 1 19 SER H 1 22 GLU HB2 . . 4.170 3.425 2.671 3.932 . 0 0 "[ . 1 . 2]" 1
97 1 64 ALA HA 1 66 VAL H . . 4.400 4.381 4.031 4.443 0.043 10 0 "[ . 1 . 2]" 1
98 1 12 LEU MD1 1 66 VAL H . . 4.210 4.106 3.205 4.218 0.008 18 0 "[ . 1 . 2]" 1
99 1 23 VAL H 1 23 VAL MG1 . . 3.670 3.150 2.997 3.318 . 0 0 "[ . 1 . 2]" 1
100 1 23 VAL H 1 23 VAL MG2 . . 3.130 2.064 1.917 2.278 . 0 0 "[ . 1 . 2]" 1
101 1 15 TYR QD 1 17 GLU HA . . 4.260 3.793 3.672 3.899 . 0 0 "[ . 1 . 2]" 1
102 1 15 TYR HA 1 15 TYR QD . . 3.630 2.203 2.104 2.335 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA HA 1 13 TYR H . . 4.260 3.849 3.525 4.082 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA MB 1 13 TYR H . . 3.980 3.753 3.415 3.986 0.006 18 0 "[ . 1 . 2]" 1
105 1 23 VAL HA 1 24 THR H . . 2.970 2.567 2.433 2.602 . 0 0 "[ . 1 . 2]" 1
106 1 24 THR H 1 24 THR MG . . 3.910 2.549 2.322 3.568 . 0 0 "[ . 1 . 2]" 1
107 1 42 TRP HE3 1 44 VAL MG1 . . 4.220 3.933 3.686 4.113 . 0 0 "[ . 1 . 2]" 1
108 1 23 VAL MG1 1 24 THR H . . 3.720 3.314 3.284 3.369 . 0 0 "[ . 1 . 2]" 1
109 1 23 VAL MG2 1 24 THR H . . 3.600 3.382 3.261 3.603 0.003 19 0 "[ . 1 . 2]" 1
110 1 41 TRP HE3 1 60 PHE HB3 . . 3.720 3.478 3.110 3.716 . 0 0 "[ . 1 . 2]" 1
111 1 41 TRP HB3 1 41 TRP HE3 . . 3.690 2.472 2.442 2.549 . 0 0 "[ . 1 . 2]" 1
112 1 42 TRP HB2 1 42 TRP HE3 . . 3.990 2.561 2.509 2.657 . 0 0 "[ . 1 . 2]" 1
113 1 33 LEU MD2 1 42 TRP HE3 . . 4.110 3.453 2.618 4.114 0.004 20 0 "[ . 1 . 2]" 1
114 1 9 VAL QG 1 42 TRP HE3 . . 3.430 2.703 2.437 2.944 . 0 0 "[ . 1 . 2]" 1
115 1 41 TRP HE3 1 62 PRO HA . . 4.250 2.921 2.677 3.184 . 0 0 "[ . 1 . 2]" 1
116 1 42 TRP HE3 1 61 VAL MG2 . . 4.520 3.605 3.384 3.763 . 0 0 "[ . 1 . 2]" 1
117 1 15 TYR QE 1 17 GLU HA . . 3.560 3.436 3.054 3.571 0.011 13 0 "[ . 1 . 2]" 1
118 1 48 ALA MB 1 55 TYR QD . . 3.850 3.337 3.125 3.760 . 0 0 "[ . 1 . 2]" 1
119 1 50 ALA MB 1 51 ASN HD22 . . 4.090 2.585 2.411 3.144 . 0 0 "[ . 1 . 2]" 1
120 1 15 TYR HB2 1 65 TYR QD . . 3.950 3.833 2.945 3.973 0.023 20 0 "[ . 1 . 2]" 1
121 1 62 PRO QG 1 65 TYR QD . . 4.470 2.024 1.915 2.614 . 0 0 "[ . 1 . 2]" 1
122 1 64 ALA MB 1 65 TYR QD . . 3.610 3.181 2.258 3.619 0.009 8 0 "[ . 1 . 2]" 1
123 1 9 VAL QG 1 42 TRP HZ3 . . 3.160 2.961 2.648 3.127 . 0 0 "[ . 1 . 2]" 1
124 1 50 ALA MB 1 55 TYR QE . . 3.390 2.230 1.926 2.551 . 0 0 "[ . 1 . 2]" 1
125 1 12 LEU MD1 1 13 TYR QE . . 3.860 3.030 2.645 3.500 . 0 0 "[ . 1 . 2]" 1
126 1 41 TRP HZ3 1 62 PRO HD3 . . 3.800 2.129 2.003 2.311 . 0 0 "[ . 1 . 2]" 1
127 1 41 TRP HZ3 1 62 PRO QG . . 4.150 3.361 3.012 3.706 . 0 0 "[ . 1 . 2]" 1
128 1 43 LYS HA 1 60 PHE HA . . 3.230 2.363 2.134 2.482 . 0 0 "[ . 1 . 2]" 1
129 1 60 PHE HA 1 61 VAL MG1 . . 4.300 3.696 3.408 3.852 . 0 0 "[ . 1 . 2]" 1
130 1 60 PHE HA 1 61 VAL MG2 . . 4.100 3.561 3.455 3.668 . 0 0 "[ . 1 . 2]" 1
131 1 44 VAL MG2 1 58 GLN HA . . 4.780 4.635 4.396 4.788 0.008 16 0 "[ . 1 . 2]" 1
132 1 23 VAL MG1 1 58 GLN HA . . 4.100 3.788 3.090 4.101 0.001 10 0 "[ . 1 . 2]" 1
133 1 23 VAL MG2 1 58 GLN HA . . 5.030 4.852 4.709 5.029 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU MD1 1 66 VAL HA . . 3.870 3.616 3.277 3.789 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU QD 1 66 VAL HA . . 5.500 4.939 4.075 5.385 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL QG 1 66 VAL HA . . 4.240 4.122 3.736 4.266 0.026 20 0 "[ . 1 . 2]" 1
137 1 66 VAL HA 1 66 VAL QG . . 2.960 2.339 2.215 2.403 . 0 0 "[ . 1 . 2]" 1
138 1 36 SER HA 1 42 TRP HA . . 3.920 3.159 2.880 3.413 . 0 0 "[ . 1 . 2]" 1
139 1 12 LEU MD2 1 66 VAL HA . . 5.120 4.321 4.082 4.574 . 0 0 "[ . 1 . 2]" 1
140 1 42 TRP HA 1 44 VAL MG1 . . 5.350 4.916 4.737 5.216 . 0 0 "[ . 1 . 2]" 1
141 1 22 GLU HA 1 23 VAL MG1 . . 4.460 3.705 3.643 3.773 . 0 0 "[ . 1 . 2]" 1
142 1 23 VAL MG1 1 45 GLU HA . . 4.840 4.079 3.122 4.612 . 0 0 "[ . 1 . 2]" 1
143 1 22 GLU HA 1 23 VAL MG2 . . 4.030 3.494 3.305 3.619 . 0 0 "[ . 1 . 2]" 1
144 1 45 GLU HA 1 46 VAL QG . . 4.070 3.380 3.275 3.457 . 0 0 "[ . 1 . 2]" 1
145 1 44 VAL HA 1 61 VAL MG1 . . 5.500 5.484 5.340 5.539 0.039 20 0 "[ . 1 . 2]" 1
146 1 8 LEU HA 1 32 THR HA . . 3.450 2.226 2.001 2.471 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU HA 1 8 LEU MD1 . . 3.870 3.254 1.969 3.819 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU HA 1 9 VAL QG . . 4.370 3.276 3.163 3.321 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU HA 1 8 LEU MD2 . . 3.870 2.440 2.138 2.748 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU HA 1 32 THR MG . . 4.270 3.519 3.179 3.904 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU HA 1 30 ILE MG . . 3.980 3.786 3.628 3.964 . 0 0 "[ . 1 . 2]" 1
152 1 44 VAL HA 1 44 VAL MG2 . . 3.540 3.196 3.184 3.204 . 0 0 "[ . 1 . 2]" 1
153 1 44 VAL HA 1 44 VAL MG1 . . 2.940 2.338 2.188 2.441 . 0 0 "[ . 1 . 2]" 1
154 1 49 THR HA 1 54 THR MG . . 4.020 2.857 2.494 3.169 . 0 0 "[ . 1 . 2]" 1
155 1 49 THR HA 1 50 ALA MB . . 4.520 3.996 3.916 4.076 . 0 0 "[ . 1 . 2]" 1
156 1 9 VAL HA 1 69 LEU MD1 . . 4.080 3.032 1.954 4.131 0.051 18 0 "[ . 1 . 2]" 1
157 1 9 VAL HA 1 9 VAL QG . . 2.930 2.295 2.265 2.358 . 0 0 "[ . 1 . 2]" 1
158 1 24 THR HA 1 24 THR MG . . 3.260 3.137 2.737 3.194 . 0 0 "[ . 1 . 2]" 1
159 1 54 THR HA 1 54 THR MG . . 3.100 2.138 1.995 2.250 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU HA 1 11 ALA MB . . 4.030 3.950 3.904 3.987 . 0 0 "[ . 1 . 2]" 1
161 1 41 TRP HA 1 62 PRO HA . . 3.470 2.934 2.791 3.045 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU HA 1 66 VAL QG . . 5.500 4.909 4.427 5.193 . 0 0 "[ . 1 . 2]" 1
163 1 41 TRP HA 1 66 VAL QG . . 5.500 4.704 4.539 4.905 . 0 0 "[ . 1 . 2]" 1
164 1 41 TRP HA 1 63 ALA MB . . 4.140 3.199 2.979 3.418 . 0 0 "[ . 1 . 2]" 1
165 1 30 ILE HA 1 30 ILE MG . . 2.920 2.300 2.214 2.389 . 0 0 "[ . 1 . 2]" 1
166 1 30 ILE HA 1 30 ILE HG12 . . 3.470 2.613 2.534 2.679 . 0 0 "[ . 1 . 2]" 1
167 1 31 LEU HA 1 31 LEU QD . . 3.210 2.080 1.910 3.115 . 0 0 "[ . 1 . 2]" 1
168 1 31 LEU HA 1 44 VAL MG2 . . 5.050 4.614 4.229 5.058 0.008 20 0 "[ . 1 . 2]" 1
169 1 25 MET HA 1 61 VAL MG1 . . 5.500 5.325 5.071 5.525 0.025 9 0 "[ . 1 . 2]" 1
170 1 31 LEU HA 1 46 VAL QG . . 4.240 4.074 3.618 4.270 0.030 4 0 "[ . 1 . 2]" 1
171 1 24 THR MG 1 25 MET HA . . 3.850 3.275 3.051 3.379 . 0 0 "[ . 1 . 2]" 1
172 1 11 ALA MB 1 25 MET HA . . 4.590 4.300 3.873 4.614 0.024 19 0 "[ . 1 . 2]" 1
173 1 14 ASP HA 1 26 LYS HA . . 2.890 2.357 1.993 2.783 . 0 0 "[ . 1 . 2]" 1
174 1 26 LYS HA 1 27 LYS QD . . 4.240 3.680 3.483 4.231 . 0 0 "[ . 1 . 2]" 1
175 1 19 SER HA 1 20 PRO HD3 . . 3.350 2.345 2.339 2.351 . 0 0 "[ . 1 . 2]" 1
176 1 55 TYR HA 1 56 GLU QB . . 4.650 4.411 4.137 4.573 . 0 0 "[ . 1 . 2]" 1
177 1 67 LYS HA 1 67 LYS HG3 . . 4.160 2.834 2.565 3.734 . 0 0 "[ . 1 . 2]" 1
178 1 44 VAL MG2 1 61 VAL HA . . 4.800 4.698 4.592 4.812 0.012 5 0 "[ . 1 . 2]" 1
179 1 61 VAL HA 1 62 PRO QG . . 4.460 3.989 3.960 4.005 . 0 0 "[ . 1 . 2]" 1
180 1 61 VAL HA 1 61 VAL MG1 . . 3.100 2.245 2.155 2.425 . 0 0 "[ . 1 . 2]" 1
181 1 47 LYS HA 1 56 GLU QB . . 4.660 3.594 2.117 4.380 . 0 0 "[ . 1 . 2]" 1
182 1 53 LYS HA 1 54 THR MG . . 4.230 4.194 4.015 4.236 0.006 11 0 "[ . 1 . 2]" 1
183 1 47 LYS HA 1 48 ALA MB . . 3.920 3.834 3.761 3.909 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU MD1 1 65 TYR HA . . 4.210 3.209 2.744 3.960 . 0 0 "[ . 1 . 2]" 1
185 1 65 TYR HA 1 66 VAL QG . . 4.140 4.136 3.945 4.195 0.055 17 0 "[ . 1 . 2]" 1
186 1 34 LEU HB2 1 35 ASN HA . . 5.260 5.095 4.712 5.244 . 0 0 "[ . 1 . 2]" 1
187 1 23 VAL MG1 1 46 VAL HA . . 5.430 4.859 4.509 5.260 . 0 0 "[ . 1 . 2]" 1
188 1 23 VAL MG1 1 57 ARG HA . . 5.500 5.408 5.117 5.524 0.024 9 0 "[ . 1 . 2]" 1
189 1 15 TYR HA 1 16 GLN QB . . 4.430 3.829 3.769 4.052 . 0 0 "[ . 1 . 2]" 1
190 1 31 LEU QD 1 46 VAL HA . . 3.570 2.781 1.991 3.442 . 0 0 "[ . 1 . 2]" 1
191 1 32 THR HA 1 44 VAL MG1 . . 5.010 4.669 4.113 4.971 . 0 0 "[ . 1 . 2]" 1
192 1 11 ALA HA 1 12 LEU HA . . 5.020 4.449 4.385 4.563 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU HA 1 13 TYR HA . . 5.410 4.541 4.522 4.560 . 0 0 "[ . 1 . 2]" 1
194 1 6 LYS QE 1 32 THR HA . . 5.120 5.116 4.422 5.203 0.083 16 0 "[ . 1 . 2]" 1
195 1 32 THR HA 1 32 THR MG . . 3.070 2.213 2.070 2.410 . 0 0 "[ . 1 . 2]" 1
196 1 23 VAL HA 1 59 GLY QA . . 4.210 4.129 3.770 4.258 0.048 19 0 "[ . 1 . 2]" 1
197 1 29 ASP HA 1 30 ILE HG12 . . 4.910 4.634 4.493 4.915 0.005 13 0 "[ . 1 . 2]" 1
198 1 33 LEU MD1 1 34 LEU HA . . 3.790 3.245 3.072 3.471 . 0 0 "[ . 1 . 2]" 1
199 1 29 ASP HA 1 30 ILE MG . . 5.500 5.418 5.398 5.443 . 0 0 "[ . 1 . 2]" 1
200 1 40 ASP HA 1 63 ALA MB . . 3.540 3.022 2.604 3.294 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLN HA 1 24 THR HB . . 4.440 3.404 3.116 4.370 . 0 0 "[ . 1 . 2]" 1
202 1 23 VAL HA 1 24 THR HB . . 5.040 4.100 4.000 4.165 . 0 0 "[ . 1 . 2]" 1
203 1 22 GLU HB3 1 23 VAL HA . . 4.640 4.351 4.058 4.627 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU HB3 1 23 VAL HA . . 4.360 3.052 2.821 3.397 . 0 0 "[ . 1 . 2]" 1
205 1 29 ASP HA 1 31 LEU QD . . 4.580 4.317 3.999 4.588 0.008 10 0 "[ . 1 . 2]" 1
206 1 10 LEU QD 1 29 ASP HA . . 5.500 4.356 3.839 5.465 . 0 0 "[ . 1 . 2]" 1
207 1 23 VAL HA 1 23 VAL MG1 . . 3.090 2.290 2.261 2.307 . 0 0 "[ . 1 . 2]" 1
208 1 23 VAL HA 1 23 VAL MG2 . . 3.460 3.181 3.172 3.192 . 0 0 "[ . 1 . 2]" 1
209 1 68 LYS HA 1 68 LYS QE . . 4.560 4.365 3.874 4.569 0.009 4 0 "[ . 1 . 2]" 1
210 1 16 GLN HA 1 17 GLU QG . . 3.720 3.651 3.533 3.728 0.008 7 0 "[ . 1 . 2]" 1
211 1 16 GLN HA 1 16 GLN QG . . 3.830 2.127 2.034 2.434 . 0 0 "[ . 1 . 2]" 1
212 1 9 VAL QG 1 68 LYS HA . . 2.720 1.970 1.926 2.031 . 0 0 "[ . 1 . 2]" 1
213 1 16 GLN HA 1 24 THR MG . . 3.720 3.674 3.290 3.790 0.070 5 0 "[ . 1 . 2]" 1
214 1 6 LYS HA 1 6 LYS QE . . 5.220 4.609 3.771 5.301 0.081 8 0 "[ . 1 . 2]" 1
215 1 18 LYS HA 1 18 LYS QD . . 4.720 3.637 3.579 3.805 . 0 0 "[ . 1 . 2]" 1
216 1 18 LYS HA 1 18 LYS QG . . 3.840 3.287 2.518 3.442 . 0 0 "[ . 1 . 2]" 1
217 1 3 GLU HA 1 4 THR MG . . 4.910 4.319 3.065 4.779 . 0 0 "[ . 1 . 2]" 1
218 1 5 GLY QA 1 6 LYS HA . . 4.280 4.036 3.984 4.171 . 0 0 "[ . 1 . 2]" 1
219 1 50 ALA MB 1 51 ASN HA . . 4.490 4.379 4.281 4.514 0.024 7 0 "[ . 1 . 2]" 1
220 1 33 LEU HA 1 44 VAL MG1 . . 2.970 2.229 1.983 2.604 . 0 0 "[ . 1 . 2]" 1
221 1 43 LYS HA 1 44 VAL MG2 . . 3.960 3.783 3.635 3.890 . 0 0 "[ . 1 . 2]" 1
222 1 33 LEU HA 1 33 LEU MD2 . . 4.080 1.987 1.928 2.070 . 0 0 "[ . 1 . 2]" 1
223 1 43 LYS HA 1 61 VAL MG1 . . 4.980 4.817 4.446 4.994 0.014 15 0 "[ . 1 . 2]" 1
224 1 43 LYS HA 1 43 LYS QE . . 4.630 4.138 2.613 4.584 . 0 0 "[ . 1 . 2]" 1
225 1 4 THR HA 1 5 GLY QA . . 4.160 3.914 3.899 3.928 . 0 0 "[ . 1 . 2]" 1
226 1 37 THR HA 1 37 THR HB . . 2.920 2.429 2.379 2.486 . 0 0 "[ . 1 . 2]" 1
227 1 39 LYS HA 1 39 LYS QE . . 4.520 4.341 3.689 4.516 . 0 0 "[ . 1 . 2]" 1
228 1 4 THR HB 1 6 LYS QE . . 5.020 4.636 3.324 5.053 0.033 17 0 "[ . 1 . 2]" 1
229 1 17 GLU HA 1 22 GLU HB3 . . 3.740 3.326 3.005 3.738 . 0 0 "[ . 1 . 2]" 1
230 1 8 LEU MD1 1 32 THR HB . . 5.500 4.886 3.510 5.602 0.102 16 0 "[ . 1 . 2]" 1
231 1 32 THR HB 1 45 GLU QG . . 5.050 4.683 4.206 5.049 . 0 0 "[ . 1 . 2]" 1
232 1 8 LEU MD2 1 32 THR HB . . 5.500 3.805 3.590 4.164 . 0 0 "[ . 1 . 2]" 1
233 1 23 VAL MG1 1 59 GLY QA . . 3.200 1.929 1.901 1.971 . 0 0 "[ . 1 . 2]" 1
234 1 23 VAL MG2 1 59 GLY QA . . 3.540 1.998 1.906 2.194 . 0 0 "[ . 1 . 2]" 1
235 1 63 ALA MB 1 64 ALA HA . . 4.360 3.976 3.969 3.985 . 0 0 "[ . 1 . 2]" 1
236 1 5 GLY QA 1 6 LYS QE . . 4.900 3.827 2.151 5.036 0.136 17 0 "[ . 1 . 2]" 1
237 1 47 LYS QE 1 54 THR HB . . 5.090 3.634 2.077 4.780 . 0 0 "[ . 1 . 2]" 1
238 1 23 VAL HB 1 59 GLY QA . . 4.190 4.062 3.896 4.154 . 0 0 "[ . 1 . 2]" 1
239 1 4 THR MG 1 5 GLY QA . . 4.830 4.478 3.758 4.862 0.032 15 0 "[ . 1 . 2]" 1
240 1 33 LEU MD2 1 36 SER HA . . 4.320 3.394 2.920 3.804 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU HA 1 12 LEU MD1 . . 4.070 3.950 3.914 3.981 . 0 0 "[ . 1 . 2]" 1
242 1 12 LEU HA 1 12 LEU MD2 . . 2.660 2.299 2.006 2.482 . 0 0 "[ . 1 . 2]" 1
243 1 62 PRO HA 1 63 ALA MB . . 4.040 4.020 4.012 4.026 . 0 0 "[ . 1 . 2]" 1
244 1 65 TYR HB3 1 66 VAL QG . . 4.240 3.378 3.259 3.477 . 0 0 "[ . 1 . 2]" 1
245 1 41 TRP HB3 1 60 PHE HB3 . . 3.690 2.683 2.364 3.010 . 0 0 "[ . 1 . 2]" 1
246 1 15 TYR HB2 1 24 THR MG . . 5.500 5.445 5.070 5.578 0.078 20 0 "[ . 1 . 2]" 1
247 1 42 TRP HB2 1 63 ALA HA . . 5.020 4.450 3.889 4.787 . 0 0 "[ . 1 . 2]" 1
248 1 62 PRO HB2 1 65 TYR HB2 . . 4.300 3.310 3.179 3.655 . 0 0 "[ . 1 . 2]" 1
249 1 62 PRO QG 1 65 TYR HB2 . . 4.450 1.989 1.912 2.074 . 0 0 "[ . 1 . 2]" 1
250 1 11 ALA MB 1 65 TYR HB2 . . 5.490 5.277 5.136 5.490 . 2 0 "[ . 1 . 2]" 1
251 1 42 TRP HB2 1 63 ALA MB . . 4.410 3.982 3.496 4.423 0.013 16 0 "[ . 1 . 2]" 1
252 1 33 LEU MD2 1 42 TRP HB2 . . 4.430 3.082 2.363 3.417 . 0 0 "[ . 1 . 2]" 1
253 1 65 TYR HB2 1 66 VAL QG . . 3.870 2.794 2.672 3.038 . 0 0 "[ . 1 . 2]" 1
254 1 42 TRP HB2 1 44 VAL MG1 . . 3.770 3.246 3.085 3.586 . 0 0 "[ . 1 . 2]" 1
255 1 42 TRP HB2 1 44 VAL MG2 . . 5.330 4.820 4.596 5.089 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU MD2 1 67 LYS QE . . 4.550 3.856 2.348 4.559 0.009 12 0 "[ . 1 . 2]" 1
257 1 47 LYS QE 1 54 THR MG . . 4.000 3.608 2.704 4.001 0.001 16 0 "[ . 1 . 2]" 1
258 1 15 TYR HB3 1 61 VAL MG1 . . 4.770 4.539 3.985 4.755 . 0 0 "[ . 1 . 2]" 1
259 1 36 SER HA 1 42 TRP HB3 . . 3.720 3.289 2.778 3.732 0.012 17 0 "[ . 1 . 2]" 1
260 1 29 ASP HB2 1 31 LEU QD . . 3.920 3.719 3.155 3.966 0.046 2 0 "[ . 1 . 2]" 1
261 1 68 LYS QG 1 70 ASP QB . . 4.980 3.505 2.291 4.933 . 0 0 "[ . 1 . 2]" 1
262 1 33 LEU MD2 1 42 TRP HB3 . . 3.490 2.041 1.923 2.197 . 0 0 "[ . 1 . 2]" 1
263 1 15 TYR HB3 1 24 THR MG . . 4.620 4.191 3.856 4.299 . 0 0 "[ . 1 . 2]" 1
264 1 11 ALA MB 1 29 ASP HB2 . . 3.230 2.641 1.945 3.241 0.011 13 0 "[ . 1 . 2]" 1
265 1 18 LYS QD 1 22 GLU QG . . 4.210 3.750 3.054 4.205 . 0 0 "[ . 1 . 2]" 1
266 1 42 TRP HB3 1 61 VAL MG2 . . 4.350 4.002 3.646 4.343 . 0 0 "[ . 1 . 2]" 1
267 1 35 ASN HB3 1 37 THR MG . . 4.310 3.167 2.541 3.673 . 0 0 "[ . 1 . 2]" 1
268 1 42 TRP HB3 1 66 VAL QG . . 5.100 4.588 4.148 4.859 . 0 0 "[ . 1 . 2]" 1
269 1 42 TRP HB3 1 44 VAL MG1 . . 4.110 3.479 3.224 3.924 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLU HA 1 22 GLU QG . . 3.600 3.167 2.628 3.607 0.007 6 0 "[ . 1 . 2]" 1
271 1 17 GLU HB3 1 22 GLU QG . . 4.260 3.581 2.929 4.231 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLU HB2 1 22 GLU QG . . 4.450 3.664 2.921 4.314 . 0 0 "[ . 1 . 2]" 1
273 1 22 GLU QG 1 23 VAL MG1 . . 4.620 4.419 4.301 4.569 . 0 0 "[ . 1 . 2]" 1
274 1 22 GLU QG 1 23 VAL MG2 . . 4.110 3.195 3.058 3.388 . 0 0 "[ . 1 . 2]" 1
275 1 35 ASN HB2 1 43 LYS QD . . 4.850 4.600 3.434 4.857 0.007 8 0 "[ . 1 . 2]" 1
276 1 61 VAL MG2 1 63 ALA HA . . 4.550 3.984 3.740 4.254 . 0 0 "[ . 1 . 2]" 1
277 1 29 ASP HB3 1 31 LEU QD . . 3.290 2.674 2.411 2.971 . 0 0 "[ . 1 . 2]" 1
278 1 11 ALA MB 1 29 ASP HB3 . . 3.330 2.645 1.924 3.346 0.016 9 0 "[ . 1 . 2]" 1
279 1 62 PRO HD3 1 66 VAL QG . . 4.670 4.455 4.296 4.610 . 0 0 "[ . 1 . 2]" 1
280 1 61 VAL MG1 1 62 PRO HD3 . . 3.970 3.774 3.632 3.928 . 0 0 "[ . 1 . 2]" 1
281 1 61 VAL MG2 1 62 PRO HD3 . . 4.580 4.508 4.431 4.566 . 0 0 "[ . 1 . 2]" 1
282 1 21 ARG QG 1 22 GLU HB2 . . 5.420 4.440 2.910 5.432 0.012 10 0 "[ . 1 . 2]" 1
283 1 7 GLU QG 1 33 LEU MD1 . . 4.090 3.427 2.479 4.109 0.019 2 0 "[ . 1 . 2]" 1
284 1 3 GLU HA 1 3 GLU QG . . 3.760 2.892 2.080 3.444 . 0 0 "[ . 1 . 2]" 1
285 1 17 GLU HA 1 17 GLU HB3 . . 2.960 2.420 2.353 2.453 . 0 0 "[ . 1 . 2]" 1
286 1 62 PRO HD2 1 65 TYR HB2 . . 4.010 3.918 3.565 4.029 0.019 13 0 "[ . 1 . 2]" 1
287 1 61 VAL HB 1 62 PRO HD2 . . 3.010 1.999 1.974 2.097 . 0 0 "[ . 1 . 2]" 1
288 1 18 LYS QD 1 22 GLU HB3 . . 4.430 3.796 3.305 4.419 . 0 0 "[ . 1 . 2]" 1
289 1 25 MET HB2 1 31 LEU QD . . 3.770 3.112 2.154 3.819 0.049 20 0 "[ . 1 . 2]" 1
290 1 61 VAL MG1 1 62 PRO HD2 . . 3.160 3.052 2.929 3.174 0.014 17 0 "[ . 1 . 2]" 1
291 1 62 PRO HD2 1 66 VAL QG . . 3.360 3.223 3.033 3.394 0.034 11 0 "[ . 1 . 2]" 1
292 1 17 GLU HB3 1 23 VAL MG1 . . 5.500 4.782 4.610 4.911 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLU HB3 1 23 VAL MG1 . . 5.500 5.002 4.714 5.254 . 0 0 "[ . 1 . 2]" 1
294 1 23 VAL MG1 1 45 GLU QG . . 5.500 5.204 4.272 5.505 0.005 19 0 "[ . 1 . 2]" 1
295 1 17 GLU HB3 1 23 VAL MG2 . . 5.270 4.580 4.430 4.767 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLU HB3 1 23 VAL MG2 . . 5.500 4.761 4.310 5.135 . 0 0 "[ . 1 . 2]" 1
297 1 23 VAL MG2 1 44 VAL HB . . 5.500 4.606 4.262 5.042 . 0 0 "[ . 1 . 2]" 1
298 1 11 ALA MB 1 25 MET HB2 . . 3.740 2.508 1.939 3.111 . 0 0 "[ . 1 . 2]" 1
299 1 61 VAL MG2 1 62 PRO HD2 . . 3.730 3.605 3.501 3.704 . 0 0 "[ . 1 . 2]" 1
300 1 9 VAL QG 1 44 VAL HB . . 4.570 3.674 3.321 4.027 . 0 0 "[ . 1 . 2]" 1
301 1 33 LEU HA 1 44 VAL HB . . 4.430 3.729 3.396 4.144 . 0 0 "[ . 1 . 2]" 1
302 1 31 LEU QD 1 44 VAL HB . . 3.930 3.474 2.758 3.810 . 0 0 "[ . 1 . 2]" 1
303 1 27 LYS QB 1 27 LYS QD . . 3.330 2.034 1.951 2.384 . 0 0 "[ . 1 . 2]" 1
304 1 23 VAL MG1 1 46 VAL HB . . 4.410 3.804 3.085 4.278 . 0 0 "[ . 1 . 2]" 1
305 1 11 ALA MB 1 27 LYS QB . . 5.150 4.804 4.108 5.153 0.003 6 0 "[ . 1 . 2]" 1
306 1 32 THR HB 1 45 GLU QB . . 3.280 2.800 2.556 3.066 . 0 0 "[ . 1 . 2]" 1
307 1 17 GLU HA 1 18 LYS QB . . 4.600 4.345 3.981 4.556 . 0 0 "[ . 1 . 2]" 1
308 1 7 GLU QB 1 33 LEU QB . . 3.600 2.027 1.829 2.430 . 0 0 "[ . 1 . 2]" 1
309 1 34 LEU HB2 1 45 GLU QB . . 4.790 4.069 3.737 4.569 . 0 0 "[ . 1 . 2]" 1
310 1 9 VAL HB 1 67 LYS QB . . 4.870 4.771 4.548 4.888 0.018 9 0 "[ . 1 . 2]" 1
311 1 58 GLN QB 1 58 GLN HG2 . . 2.520 2.269 2.190 2.311 . 0 0 "[ . 1 . 2]" 1
312 1 11 ALA HA 1 66 VAL HB . . 4.270 3.524 3.328 3.859 . 0 0 "[ . 1 . 2]" 1
313 1 11 ALA MB 1 25 MET HB3 . . 3.740 2.913 1.976 3.760 0.020 16 0 "[ . 1 . 2]" 1
314 1 25 MET HB3 1 31 LEU QD . . 3.770 2.266 1.935 2.795 . 0 0 "[ . 1 . 2]" 1
315 1 53 LYS QB 1 54 THR MG . . 5.200 4.953 4.795 5.132 . 0 0 "[ . 1 . 2]" 1
316 1 50 ALA MB 1 53 LYS QB . . 4.690 4.307 3.827 4.534 . 0 0 "[ . 1 . 2]" 1
317 1 37 THR MG 1 43 LYS QB . . 5.010 4.634 4.365 4.909 . 0 0 "[ . 1 . 2]" 1
318 1 23 VAL HB 1 46 VAL QG . . 3.330 2.241 1.920 2.517 . 0 0 "[ . 1 . 2]" 1
319 1 9 VAL QG 1 33 LEU QB . . 3.330 2.221 1.894 2.871 . 0 0 "[ . 1 . 2]" 1
320 1 17 GLU HB2 1 22 GLU HB3 . . 2.990 2.515 1.996 2.996 0.006 11 0 "[ . 1 . 2]" 1
321 1 33 LEU QB 1 33 LEU MD2 . . 2.980 2.356 2.277 2.429 . 0 0 "[ . 1 . 2]" 1
322 1 6 LYS QB 1 32 THR MG . . 4.400 3.889 3.111 4.540 0.140 8 0 "[ . 1 . 2]" 1
323 1 32 THR MG 1 33 LEU QB . . 4.720 4.042 3.798 4.193 . 0 0 "[ . 1 . 2]" 1
324 1 33 LEU QB 1 44 VAL MG1 . . 4.080 3.383 2.930 3.715 . 0 0 "[ . 1 . 2]" 1
325 1 61 VAL HB 1 62 PRO HD3 . . 3.530 3.449 3.424 3.536 0.006 16 0 "[ . 1 . 2]" 1
326 1 12 LEU MD1 1 67 LYS QB . . 2.940 2.687 2.027 2.947 0.007 1 0 "[ . 1 . 2]" 1
327 1 12 LEU MD2 1 67 LYS QB . . 3.350 3.089 2.515 3.360 0.010 9 0 "[ . 1 . 2]" 1
328 1 43 LYS QD 1 58 GLN HG2 . . 4.820 4.134 2.405 4.686 . 0 0 "[ . 1 . 2]" 1
329 1 18 LYS QD 1 22 GLU HB2 . . 5.020 3.987 3.194 4.860 . 0 0 "[ . 1 . 2]" 1
330 1 43 LYS QD 1 58 GLN HG3 . . 5.500 5.135 3.972 5.467 . 0 0 "[ . 1 . 2]" 1
331 1 11 ALA MB 1 29 ASP HA . . 3.900 3.903 3.740 3.957 0.057 4 0 "[ . 1 . 2]" 1
332 1 43 LYS QD 1 58 GLN QB . . 2.700 2.428 2.153 2.632 . 0 0 "[ . 1 . 2]" 1
333 1 6 LYS QD 1 32 THR MG . . 3.640 2.198 1.846 3.159 . 0 0 "[ . 1 . 2]" 1
334 1 31 LEU HB3 1 44 VAL HB . . 3.420 2.082 1.989 2.351 . 0 0 "[ . 1 . 2]" 1
335 1 31 LEU HB3 1 31 LEU QD . . 2.940 2.282 1.940 2.391 . 0 0 "[ . 1 . 2]" 1
336 1 11 ALA MB 1 66 VAL QG . . 3.500 2.547 2.359 3.026 . 0 0 "[ . 1 . 2]" 1
337 1 31 LEU HB3 1 44 VAL MG2 . . 3.520 2.547 2.207 2.945 . 0 0 "[ . 1 . 2]" 1
338 1 48 ALA MB 1 57 ARG QG . . 3.490 3.254 2.111 3.491 0.001 3 0 "[ . 1 . 2]" 1
339 1 23 VAL MG1 1 57 ARG QG . . 3.300 2.827 2.527 3.302 0.002 18 0 "[ . 1 . 2]" 1
340 1 46 VAL QG 1 57 ARG QG . . 3.410 2.129 1.766 2.918 . 0 0 "[ . 1 . 2]" 1
341 1 57 ARG HA 1 57 ARG QG . . 3.530 3.336 3.321 3.397 . 0 0 "[ . 1 . 2]" 1
342 1 31 LEU HB2 1 31 LEU QD . . 3.100 2.124 2.007 2.235 . 0 0 "[ . 1 . 2]" 1
343 1 31 LEU HB2 1 44 VAL HB . . 3.950 2.994 2.130 3.493 . 0 0 "[ . 1 . 2]" 1
344 1 31 LEU HB2 1 44 VAL MG2 . . 3.900 2.998 2.546 3.252 . 0 0 "[ . 1 . 2]" 1
345 1 39 LYS HA 1 39 LYS QG . . 3.740 3.129 2.453 3.424 . 0 0 "[ . 1 . 2]" 1
346 1 24 THR MG 1 46 VAL QG . . 4.160 3.954 3.409 4.242 0.082 19 0 "[ . 1 . 2]" 1
347 1 16 GLN QG 1 24 THR MG . . 4.410 4.375 3.903 4.435 0.025 17 0 "[ . 1 . 2]" 1
348 1 8 LEU HG 1 32 THR MG . . 3.620 3.056 2.086 3.768 0.148 13 0 "[ . 1 . 2]" 1
349 1 12 LEU HA 1 12 LEU HG . . 3.940 3.174 2.988 3.237 . 0 0 "[ . 1 . 2]" 1
350 1 4 THR MG 1 8 LEU HG . . 3.790 3.386 1.921 3.815 0.025 13 0 "[ . 1 . 2]" 1
351 1 8 LEU HB3 1 8 LEU MD2 . . 3.260 2.492 2.016 3.195 . 0 0 "[ . 1 . 2]" 1
352 1 8 LEU HB3 1 30 ILE MG . . 2.930 2.206 2.027 2.416 . 0 0 "[ . 1 . 2]" 1
353 1 37 THR HA 1 37 THR MG . . 3.320 3.122 2.420 3.207 . 0 0 "[ . 1 . 2]" 1
354 1 6 LYS QG 1 32 THR MG . . 4.030 3.758 2.621 4.088 0.058 13 0 "[ . 1 . 2]" 1
355 1 10 LEU HG 1 11 ALA MB . . 4.810 4.248 3.759 4.777 . 0 0 "[ . 1 . 2]" 1
356 1 4 THR HA 1 4 THR MG . . 3.420 2.374 1.947 3.199 . 0 0 "[ . 1 . 2]" 1
357 1 12 LEU HB2 1 12 LEU MD2 . . 3.370 3.176 3.146 3.191 . 0 0 "[ . 1 . 2]" 1
358 1 34 LEU HB2 1 35 ASN HB2 . . 4.080 3.941 3.530 4.082 0.002 4 0 "[ . 1 . 2]" 1
359 1 12 LEU HB2 1 12 LEU MD1 . . 3.060 2.232 2.016 2.356 . 0 0 "[ . 1 . 2]" 1
360 1 33 LEU HA 1 33 LEU HG . . 3.720 3.684 3.676 3.689 . 0 0 "[ . 1 . 2]" 1
361 1 5 GLY QA 1 32 THR MG . . 5.330 4.722 3.871 5.366 0.036 13 0 "[ . 1 . 2]" 1
362 1 33 LEU QB 1 33 LEU HG . . 2.690 2.161 2.154 2.166 . 0 0 "[ . 1 . 2]" 1
363 1 32 THR MG 1 45 GLU QB . . 4.510 3.916 3.256 4.356 . 0 0 "[ . 1 . 2]" 1
364 1 7 GLU QB 1 32 THR MG . . 4.510 4.030 3.422 4.557 0.047 16 0 "[ . 1 . 2]" 1
365 1 7 GLU QB 1 33 LEU HG . . 4.690 3.751 3.115 4.250 . 0 0 "[ . 1 . 2]" 1
366 1 6 LYS QE 1 32 THR MG . . 3.230 2.129 1.774 2.560 . 0 0 "[ . 1 . 2]" 1
367 1 15 TYR HB2 1 61 VAL MG1 . . 4.960 4.797 4.397 4.976 0.016 11 0 "[ . 1 . 2]" 1
368 1 44 VAL MG1 1 61 VAL MG1 . . 3.790 3.312 3.041 3.422 . 0 0 "[ . 1 . 2]" 1
369 1 23 VAL MG2 1 61 VAL MG1 . . 2.830 1.804 1.710 1.961 . 0 0 "[ . 1 . 2]" 1
370 1 44 VAL MG2 1 61 VAL MG1 . . 2.760 2.002 1.893 2.103 . 0 0 "[ . 1 . 2]" 1
371 1 9 VAL QG 1 31 LEU QD . . 4.590 2.961 2.395 3.543 . 0 0 "[ . 1 . 2]" 1
372 1 9 VAL QG 1 30 ILE MG . . 3.680 3.598 3.408 3.717 0.037 2 0 "[ . 1 . 2]" 1
373 1 9 VAL QG 1 33 LEU HA . . 4.310 3.369 3.102 3.786 . 0 0 "[ . 1 . 2]" 1
374 1 46 VAL HA 1 46 VAL QG . . 3.140 2.208 2.025 2.328 . 0 0 "[ . 1 . 2]" 1
375 1 23 VAL MG1 1 46 VAL QG . . 2.990 1.814 1.659 2.199 . 0 0 "[ . 1 . 2]" 1
376 1 23 VAL MG2 1 46 VAL QG . . 2.950 2.695 2.216 2.962 0.012 3 0 "[ . 1 . 2]" 1
377 1 31 LEU QD 1 61 VAL MG1 . . 3.720 3.348 2.261 3.899 0.179 20 0 "[ . 1 . 2]" 1
378 1 10 LEU QD 1 11 ALA HA . . 4.590 4.065 3.528 4.550 . 0 0 "[ . 1 . 2]" 1
379 1 11 ALA HA 1 31 LEU QD . . 5.080 4.515 3.962 5.088 0.008 16 0 "[ . 1 . 2]" 1
380 1 10 LEU QD 1 11 ALA MB . . 3.900 3.448 3.119 3.904 0.004 14 0 "[ . 1 . 2]" 1
381 1 11 ALA MB 1 31 LEU QD . . 4.060 2.936 2.446 3.539 . 0 0 "[ . 1 . 2]" 1
382 1 30 ILE HG12 1 30 ILE MG . . 2.910 2.294 2.173 2.349 . 0 0 "[ . 1 . 2]" 1
383 1 30 ILE HG13 1 30 ILE MG . . 3.330 3.186 3.171 3.196 . 0 0 "[ . 1 . 2]" 1
384 1 10 LEU HB2 1 10 LEU QD . . 3.110 2.073 1.930 2.160 . 0 0 "[ . 1 . 2]" 1
385 1 10 LEU HB3 1 10 LEU QD . . 3.110 2.144 1.969 2.316 . 0 0 "[ . 1 . 2]" 1
386 1 8 LEU HB3 1 8 LEU MD1 . . 3.260 2.509 2.110 2.803 . 0 0 "[ . 1 . 2]" 1
387 1 31 LEU HB3 1 44 VAL MG1 . . 3.610 3.097 2.685 3.537 . 0 0 "[ . 1 . 2]" 1
388 1 31 LEU HB2 1 44 VAL MG1 . . 3.140 2.809 2.321 3.152 0.012 16 0 "[ . 1 . 2]" 1
389 1 9 VAL QG 1 44 VAL MG1 . . 3.110 2.099 1.814 2.386 . 0 0 "[ . 1 . 2]" 1
390 1 44 VAL MG2 1 46 VAL QG . . 2.860 2.569 2.307 2.727 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL MG2 1 44 VAL MG2 . . 2.730 2.219 1.972 2.614 . 0 0 "[ . 1 . 2]" 1
392 1 11 ALA HA 1 66 VAL QG . . 3.170 2.190 1.926 2.717 . 0 0 "[ . 1 . 2]" 1
393 1 11 ALA MB 1 25 MET ME . . 3.880 3.154 2.448 3.883 0.003 14 0 "[ . 1 . 2]" 1
394 1 63 ALA HA 1 66 VAL QG . . 3.230 1.930 1.902 2.051 . 0 0 "[ . 1 . 2]" 1
395 1 44 VAL MG2 1 59 GLY QA . . 4.350 3.949 3.690 4.229 . 0 0 "[ . 1 . 2]" 1
396 1 64 ALA MB 1 66 VAL QG . . 4.910 4.812 4.736 4.900 . 0 0 "[ . 1 . 2]" 1
397 1 63 ALA MB 1 66 VAL QG . . 3.640 3.319 3.226 3.478 . 0 0 "[ . 1 . 2]" 1
398 1 33 LEU MD1 1 36 SER HB2 . . 4.190 3.642 2.640 4.032 . 0 0 "[ . 1 . 2]" 1
399 1 33 LEU MD1 1 36 SER HB3 . . 4.190 2.347 1.953 3.349 . 0 0 "[ . 1 . 2]" 1
400 1 33 LEU HA 1 33 LEU MD1 . . 3.350 3.119 2.868 3.373 0.023 12 0 "[ . 1 . 2]" 1
401 1 34 LEU MD1 1 45 GLU QB . . 4.450 3.148 1.819 3.890 . 0 0 "[ . 1 . 2]" 1
402 1 34 LEU MD2 1 45 GLU QB . . 4.450 2.072 1.819 2.966 . 0 0 "[ . 1 . 2]" 1
403 1 42 TRP HB2 1 61 VAL MG2 . . 3.560 2.727 2.502 2.977 . 0 0 "[ . 1 . 2]" 1
404 1 33 LEU MD1 1 42 TRP HB3 . . 4.720 4.002 3.091 4.531 . 0 0 "[ . 1 . 2]" 1
405 1 62 PRO QG 1 64 ALA MB . . 4.370 4.315 4.080 4.404 0.034 4 0 "[ . 1 . 2]" 1
406 1 23 VAL MG2 1 31 LEU QD . . 4.470 3.823 2.770 4.473 0.003 19 0 "[ . 1 . 2]" 1
407 1 32 THR MG 1 33 LEU MD2 . . 5.500 5.390 5.027 5.570 0.070 13 0 "[ . 1 . 2]" 1
408 1 33 LEU MD2 1 34 LEU HB2 . . 4.350 4.111 3.783 4.380 0.030 14 0 "[ . 1 . 2]" 1
409 1 7 GLU QB 1 33 LEU MD2 . . 4.670 4.476 4.020 4.708 0.038 4 0 "[ . 1 . 2]" 1
410 1 9 VAL QG 1 33 LEU MD2 . . 3.540 2.501 1.887 3.205 . 0 0 "[ . 1 . 2]" 1
411 1 33 LEU MD2 1 44 VAL MG1 . . 4.320 2.142 1.839 2.341 . 0 0 "[ . 1 . 2]" 1
412 1 63 ALA MB 1 64 ALA MB . . 4.230 4.009 3.999 4.030 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU H 1 44 VAL HA . . 3.210 2.626 2.202 2.876 . 0 0 "[ . 1 . 2]" 1
414 1 9 VAL HA 1 10 LEU H . . 2.920 2.253 2.221 2.302 . 0 0 "[ . 1 . 2]" 1
415 1 25 MET HA 1 26 LYS H . . 2.860 2.476 2.373 2.515 . 0 0 "[ . 1 . 2]" 1
416 1 45 GLU HA 1 57 ARG H . . 4.640 4.456 4.073 4.645 0.005 5 0 "[ . 1 . 2]" 1
417 1 66 VAL HA 1 67 LYS H . . 2.970 2.224 2.171 2.315 . 0 0 "[ . 1 . 2]" 1
418 1 38 ASN HA 1 40 ASP H . . 4.380 4.191 4.089 4.238 . 0 0 "[ . 1 . 2]" 1
419 1 15 TYR QD 1 24 THR HA . . 4.170 2.409 2.173 2.802 . 0 0 "[ . 1 . 2]" 1
420 1 60 PHE HA 1 60 PHE QD . . 4.020 2.816 2.404 3.090 . 0 0 "[ . 1 . 2]" 1
421 1 41 TRP HA 1 41 TRP HE3 . . 3.770 3.477 3.216 3.610 . 0 0 "[ . 1 . 2]" 1
422 1 41 TRP HZ3 1 61 VAL HA . . 3.640 3.471 3.192 3.644 0.004 19 0 "[ . 1 . 2]" 1
423 1 45 GLU HA 1 58 GLN HA . . 3.060 2.160 2.000 2.524 . 0 0 "[ . 1 . 2]" 1
424 1 49 THR HA 1 54 THR HA . . 2.610 2.289 2.139 2.619 0.009 18 0 "[ . 1 . 2]" 1
425 1 11 ALA HA 1 66 VAL HA . . 3.380 2.570 2.467 2.679 . 0 0 "[ . 1 . 2]" 1
426 1 16 GLN HA 1 24 THR HA . . 4.540 4.489 4.151 4.623 0.083 16 0 "[ . 1 . 2]" 1
427 1 9 VAL HA 1 68 LYS HA . . 3.160 2.174 1.982 2.446 . 0 0 "[ . 1 . 2]" 1
428 1 33 LEU HA 1 44 VAL HA . . 3.360 2.662 2.537 2.774 . 0 0 "[ . 1 . 2]" 1
429 1 22 GLU HA 1 59 GLY QA . . 4.300 2.935 2.385 3.232 . 0 0 "[ . 1 . 2]" 1
430 1 19 SER HA 1 20 PRO HD2 . . 3.350 2.506 2.495 2.518 . 0 0 "[ . 1 . 2]" 1
431 1 22 GLU HA 1 22 GLU QG . . 3.600 2.276 2.086 2.767 . 0 0 "[ . 1 . 2]" 1
432 1 22 GLU HA 1 60 PHE HB2 . . 4.030 3.726 3.464 3.947 . 0 0 "[ . 1 . 2]" 1
433 1 25 MET HA 1 29 ASP HB3 . . 4.470 3.969 3.685 4.310 . 0 0 "[ . 1 . 2]" 1
434 1 61 VAL HA 1 62 PRO HD3 . . 2.960 2.292 2.276 2.301 . 0 0 "[ . 1 . 2]" 1
435 1 58 GLN HA 1 58 GLN HG3 . . 4.070 2.747 2.299 2.940 . 0 0 "[ . 1 . 2]" 1
436 1 45 GLU HA 1 58 GLN HG3 . . 4.000 3.731 3.489 4.010 0.010 5 0 "[ . 1 . 2]" 1
437 1 17 GLU HB3 1 24 THR HA . . 4.400 3.790 3.309 4.105 . 0 0 "[ . 1 . 2]" 1
438 1 58 GLN HA 1 58 GLN HG2 . . 3.710 2.648 2.527 2.854 . 0 0 "[ . 1 . 2]" 1
439 1 61 VAL HA 1 62 PRO HD2 . . 3.350 2.380 2.330 2.405 . 0 0 "[ . 1 . 2]" 1
440 1 45 GLU HA 1 45 GLU QG . . 3.330 2.421 2.156 2.527 . 0 0 "[ . 1 . 2]" 1
441 1 19 SER HA 1 20 PRO HG3 . . 5.040 4.538 4.530 4.546 . 0 0 "[ . 1 . 2]" 1
442 1 53 LYS QB 1 54 THR HA . . 4.440 4.300 4.145 4.440 0.000 17 0 "[ . 1 . 2]" 1
443 1 66 VAL HA 1 67 LYS QB . . 4.320 3.992 3.923 4.138 . 0 0 "[ . 1 . 2]" 1
444 1 43 LYS QD 1 58 GLN HA . . 4.090 4.068 3.859 4.122 0.032 16 0 "[ . 1 . 2]" 1
445 1 26 LYS HA 1 26 LYS QG . . 3.720 2.345 2.153 2.952 . 0 0 "[ . 1 . 2]" 1
446 1 67 LYS HA 1 67 LYS HG2 . . 4.160 3.459 3.129 3.820 . 0 0 "[ . 1 . 2]" 1
447 1 43 LYS QG 1 44 VAL HA . . 3.810 3.756 3.548 3.841 0.031 11 0 "[ . 1 . 2]" 1
448 1 8 LEU HB3 1 9 VAL HA . . 4.760 4.300 4.193 4.385 . 0 0 "[ . 1 . 2]" 1
449 1 12 LEU HG 1 66 VAL HA . . 3.490 2.929 2.720 3.113 . 0 0 "[ . 1 . 2]" 1
450 1 8 LEU HA 1 8 LEU HG . . 4.050 2.947 2.478 3.716 . 0 0 "[ . 1 . 2]" 1
451 1 10 LEU HA 1 10 LEU HG . . 3.910 2.984 2.295 3.378 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU HB2 1 44 VAL HA . . 4.010 3.179 2.934 3.563 . 0 0 "[ . 1 . 2]" 1
453 1 30 ILE HA 1 30 ILE HG13 . . 3.690 3.089 2.905 3.172 . 0 0 "[ . 1 . 2]" 1
454 1 49 THR HA 1 49 THR MG . . 3.400 2.268 2.141 2.380 . 0 0 "[ . 1 . 2]" 1
455 1 25 MET HA 1 31 LEU QD . . 3.990 3.401 2.778 3.943 . 0 0 "[ . 1 . 2]" 1
456 1 10 LEU HA 1 10 LEU QD . . 3.060 2.410 2.011 3.032 . 0 0 "[ . 1 . 2]" 1
457 1 9 VAL HA 1 69 LEU MD2 . . 4.080 3.170 1.957 4.090 0.010 13 0 "[ . 1 . 2]" 1
458 1 61 VAL HA 1 61 VAL MG2 . . 3.580 3.200 3.193 3.203 . 0 0 "[ . 1 . 2]" 1
459 1 47 LYS HA 1 56 GLU HA . . 3.290 2.246 1.997 2.494 . 0 0 "[ . 1 . 2]" 1
460 1 31 LEU HA 1 32 THR HA . . 4.730 4.339 4.328 4.351 . 0 0 "[ . 1 . 2]" 1
461 1 31 LEU HA 1 46 VAL HA . . 5.130 4.441 3.994 4.738 . 0 0 "[ . 1 . 2]" 1
462 1 16 GLN QG 1 17 GLU H . . 4.450 3.893 3.444 4.398 . 0 0 "[ . 1 . 2]" 1
463 1 15 TYR QD 1 62 PRO HD3 . . 4.620 3.753 3.479 4.035 . 0 0 "[ . 1 . 2]" 1
464 1 36 SER HA 1 43 LYS H . . 4.630 3.531 3.356 3.859 . 0 0 "[ . 1 . 2]" 1
465 1 39 LYS HA 1 42 TRP HD1 . . 5.080 4.047 3.806 4.670 . 0 0 "[ . 1 . 2]" 1
466 1 39 LYS HA 1 42 TRP HZ2 . . 5.270 3.853 3.496 4.785 . 0 0 "[ . 1 . 2]" 1
467 1 43 LYS HA 1 60 PHE QD . . 4.760 3.224 2.787 3.640 . 0 0 "[ . 1 . 2]" 1
468 1 15 TYR HB3 1 65 TYR QD . . 5.500 5.339 4.413 5.551 0.051 20 0 "[ . 1 . 2]" 1
469 1 15 TYR QE 1 22 GLU HB3 . . 5.060 4.791 4.323 5.075 0.015 20 0 "[ . 1 . 2]" 1
470 1 33 LEU MD2 1 36 SER H . . 4.680 4.248 3.695 4.691 0.011 1 0 "[ . 1 . 2]" 1
471 1 23 VAL MG2 1 60 PHE H . . 4.580 2.639 2.454 2.789 . 0 0 "[ . 1 . 2]" 1
472 1 23 VAL MG1 1 57 ARG H . . 5.080 4.877 4.465 5.088 0.008 11 0 "[ . 1 . 2]" 1
473 1 48 ALA H 1 54 THR HA . . 4.510 4.470 4.353 4.515 0.005 4 0 "[ . 1 . 2]" 1
474 1 38 ASN HA 1 38 ASN HD22 . . 4.550 3.504 3.286 3.751 . 0 0 "[ . 1 . 2]" 1
475 1 35 ASN H 1 44 VAL HA . . 4.650 4.213 4.017 4.397 . 0 0 "[ . 1 . 2]" 1
476 1 49 THR HA 1 53 LYS H . . 4.920 4.372 4.141 4.840 . 0 0 "[ . 1 . 2]" 1
477 1 13 TYR QD 1 65 TYR HA . . 3.230 2.224 2.004 2.498 . 0 0 "[ . 1 . 2]" 1
478 1 12 LEU HB2 1 66 VAL HA . . 4.490 4.354 3.792 4.503 0.013 10 0 "[ . 1 . 2]" 1
479 1 41 TRP HE3 1 61 VAL HA . . 3.950 3.007 2.840 3.141 . 0 0 "[ . 1 . 2]" 1
480 1 62 PRO HA 1 63 ALA HA . . 4.790 4.427 4.393 4.439 . 0 0 "[ . 1 . 2]" 1
481 1 39 LYS HA 1 63 ALA MB . . 4.640 3.877 3.679 4.647 0.007 16 0 "[ . 1 . 2]" 1
482 1 53 LYS HA 1 54 THR HA . . 4.420 4.379 4.361 4.402 . 0 0 "[ . 1 . 2]" 1
483 1 8 LEU HA 1 68 LYS HA . . 5.500 5.408 5.120 5.553 0.053 13 0 "[ . 1 . 2]" 1
484 1 41 TRP HA 1 60 PHE HB3 . . 5.100 4.873 4.610 5.101 0.001 13 0 "[ . 1 . 2]" 1
485 1 58 GLN HA 1 59 GLY QA . . 4.780 3.902 3.896 3.931 . 0 0 "[ . 1 . 2]" 1
486 1 49 THR HB 1 54 THR HA . . 5.500 4.918 4.655 5.177 . 0 0 "[ . 1 . 2]" 1
487 1 46 VAL QG 1 58 GLN HA . . 4.750 3.962 3.621 4.357 . 0 0 "[ . 1 . 2]" 1
488 1 40 ASP HB2 1 41 TRP HA . . 5.090 4.729 4.553 4.963 . 0 0 "[ . 1 . 2]" 1
489 1 41 TRP HA 1 63 ALA HA . . 5.370 4.497 4.286 4.738 . 0 0 "[ . 1 . 2]" 1
490 1 22 GLU HA 1 60 PHE HB3 . . 5.500 5.346 5.053 5.517 0.017 15 0 "[ . 1 . 2]" 1
491 1 59 GLY QA 1 60 PHE HB2 . . 4.640 4.320 4.150 4.434 . 0 0 "[ . 1 . 2]" 1
492 1 11 ALA MB 1 12 LEU HA . . 4.760 4.449 4.266 4.597 . 0 0 "[ . 1 . 2]" 1
493 1 5 GLY QA 1 6 LYS QD . . 4.640 4.082 3.515 4.702 0.062 4 0 "[ . 1 . 2]" 1
494 1 7 GLU QG 1 33 LEU MD2 . . 5.500 4.815 3.672 5.571 0.071 12 0 "[ . 1 . 2]" 1
495 1 15 TYR H 1 25 MET H . . 3.480 2.999 2.756 3.205 . 0 0 "[ . 1 . 2]" 1
496 1 50 ALA H 1 51 ASN H . . 4.480 4.336 4.214 4.407 . 0 0 "[ . 1 . 2]" 1
497 1 44 VAL H 1 59 GLY H . . 3.330 3.203 2.900 3.347 0.017 11 0 "[ . 1 . 2]" 1
498 1 42 TRP H 1 61 VAL H . . 3.590 2.784 2.569 3.045 . 0 0 "[ . 1 . 2]" 1
499 1 9 VAL H 1 31 LEU H . . 3.460 2.837 2.640 3.103 . 0 0 "[ . 1 . 2]" 1
500 1 12 LEU H 1 13 TYR H . . 3.000 2.611 2.229 2.861 . 0 0 "[ . 1 . 2]" 1
501 1 36 SER H 1 43 LYS H . . 5.140 4.996 4.886 5.135 . 0 0 "[ . 1 . 2]" 1
502 1 36 SER H 1 37 THR H . . 3.140 2.589 2.232 2.871 . 0 0 "[ . 1 . 2]" 1
503 1 35 ASN H 1 36 SER H . . 4.410 4.168 3.997 4.315 . 0 0 "[ . 1 . 2]" 1
504 1 11 ALA H 1 29 ASP H . . 4.060 3.249 3.027 3.452 . 0 0 "[ . 1 . 2]" 1
505 1 50 ALA H 1 55 TYR H . . 4.790 4.396 4.034 4.767 . 0 0 "[ . 1 . 2]" 1
506 1 59 GLY H 1 60 PHE H . . 4.460 4.397 4.361 4.425 . 0 0 "[ . 1 . 2]" 1
507 1 48 ALA H 1 55 TYR H . . 3.370 3.075 2.798 3.194 . 0 0 "[ . 1 . 2]" 1
508 1 55 TYR H 1 56 GLU H . . 4.530 4.390 4.311 4.450 . 0 0 "[ . 1 . 2]" 1
509 1 54 THR H 1 55 TYR H . . 4.530 4.415 4.317 4.504 . 0 0 "[ . 1 . 2]" 1
510 1 8 LEU H 1 9 VAL H . . 5.040 4.470 4.332 4.615 . 0 0 "[ . 1 . 2]" 1
511 1 8 LEU H 1 33 LEU H . . 5.460 4.279 3.806 4.741 . 0 0 "[ . 1 . 2]" 1
512 1 7 GLU H 1 33 LEU H . . 4.810 4.264 3.709 4.720 . 0 0 "[ . 1 . 2]" 1
513 1 32 THR H 1 33 LEU H . . 4.750 4.484 4.398 4.600 . 0 0 "[ . 1 . 2]" 1
514 1 46 VAL H 1 47 LYS H . . 4.770 4.525 4.480 4.579 . 0 0 "[ . 1 . 2]" 1
515 1 46 VAL H 1 57 ARG H . . 3.450 3.205 2.885 3.453 0.003 13 0 "[ . 1 . 2]" 1
516 1 15 TYR H 1 27 LYS H . . 5.330 5.117 4.773 5.348 0.018 12 0 "[ . 1 . 2]" 1
517 1 34 LEU H 1 45 GLU H . . 4.950 4.403 3.952 4.650 . 0 0 "[ . 1 . 2]" 1
518 1 45 GLU H 1 46 VAL H . . 5.180 4.337 4.231 4.459 . 0 0 "[ . 1 . 2]" 1
519 1 14 ASP H 1 27 LYS H . . 4.340 3.986 3.360 4.352 0.012 3 0 "[ . 1 . 2]" 1
520 1 27 LYS H 1 28 GLY H . . 4.580 4.382 4.278 4.552 . 0 0 "[ . 1 . 2]" 1
521 1 34 LEU H 1 35 ASN H . . 2.950 2.094 1.892 2.267 . 0 0 "[ . 1 . 2]" 1
522 1 10 LEU H 1 11 ALA H . . 4.460 4.528 4.479 4.559 0.099 4 0 "[ . 1 . 2]" 1
523 1 26 LYS H 1 27 LYS H . . 4.610 4.466 4.396 4.523 . 0 0 "[ . 1 . 2]" 1
524 1 28 GLY H 1 29 ASP H . . 3.090 2.188 2.028 2.435 . 0 0 "[ . 1 . 2]" 1
525 1 49 THR H 1 50 ALA H . . 4.400 4.205 4.011 4.402 0.002 1 0 "[ . 1 . 2]" 1
526 1 11 ALA H 1 28 GLY H . . 4.750 3.929 3.515 4.428 . 0 0 "[ . 1 . 2]" 1
527 1 56 GLU H 1 57 ARG H . . 4.830 4.507 4.374 4.566 . 0 0 "[ . 1 . 2]" 1
528 1 35 ASN H 1 43 LYS H . . 3.600 3.246 2.977 3.471 . 0 0 "[ . 1 . 2]" 1
529 1 2 ASP H 1 3 GLU H . . 3.450 2.911 2.427 3.422 . 0 0 "[ . 1 . 2]" 1
530 1 18 LYS H 1 19 SER H . . 2.930 1.904 1.871 1.988 . 0 0 "[ . 1 . 2]" 1
531 1 47 LYS H 1 48 ALA H . . 4.570 4.506 4.456 4.565 . 0 0 "[ . 1 . 2]" 1
532 1 32 THR H 1 45 GLU H . . 3.670 3.488 3.284 3.670 0.000 11 0 "[ . 1 . 2]" 1
533 1 51 ASN H 1 52 GLY H . . 3.540 2.753 2.689 3.066 . 0 0 "[ . 1 . 2]" 1
534 1 38 ASN H 1 39 LYS H . . 4.730 4.522 4.495 4.593 . 0 0 "[ . 1 . 2]" 1
535 1 37 THR H 1 38 ASN H . . 3.210 2.646 2.482 2.740 . 0 0 "[ . 1 . 2]" 1
536 1 3 GLU H 1 4 THR H . . 4.490 3.578 2.452 4.496 0.006 2 0 "[ . 1 . 2]" 1
537 1 12 LEU H 1 67 LYS H . . 4.470 4.012 3.297 4.477 0.007 10 0 "[ . 1 . 2]" 1
538 1 10 LEU H 1 67 LYS H . . 3.390 3.011 2.892 3.120 . 0 0 "[ . 1 . 2]" 1
539 1 57 ARG H 1 58 GLN H . . 4.490 4.391 4.288 4.460 . 0 0 "[ . 1 . 2]" 1
540 1 6 LYS H 1 7 GLU H . . 3.400 2.415 1.860 2.794 . 0 0 "[ . 1 . 2]" 1
541 1 5 GLY H 1 7 GLU H . . 4.700 3.583 2.893 4.682 . 0 0 "[ . 1 . 2]" 1
542 1 39 LYS H 1 41 TRP H . . 4.190 3.757 3.513 4.182 . 0 0 "[ . 1 . 2]" 1
543 1 29 ASP H 1 30 ILE H . . 4.580 4.556 4.503 4.606 0.026 16 0 "[ . 1 . 2]" 1
544 1 38 ASN HD21 1 39 LYS H . . 4.410 3.869 3.166 4.367 . 0 0 "[ . 1 . 2]" 1
545 1 38 ASN HD22 1 39 LYS H . . 4.500 3.805 3.238 4.209 . 0 0 "[ . 1 . 2]" 1
546 1 69 LEU H 1 70 ASP H . . 3.180 2.982 2.454 3.202 0.022 13 0 "[ . 1 . 2]" 1
547 1 10 LEU H 1 69 LEU H . . 5.010 4.257 3.109 4.698 . 0 0 "[ . 1 . 2]" 1
548 1 4 THR H 1 5 GLY H . . 3.960 3.834 3.426 4.016 0.056 17 0 "[ . 1 . 2]" 1
549 1 39 LYS H 1 40 ASP H . . 3.180 1.957 1.897 2.485 . 0 0 "[ . 1 . 2]" 1
550 1 38 ASN HD22 1 40 ASP H . . 4.800 4.455 3.759 4.800 . 0 0 "[ . 1 . 2]" 1
551 1 35 ASN HD21 1 37 THR H . . 4.620 3.351 2.610 4.411 . 0 0 "[ . 1 . 2]" 1
552 1 5 GLY H 1 6 LYS H . . 3.390 1.998 1.878 2.810 . 0 0 "[ . 1 . 2]" 1
553 1 50 ALA H 1 53 LYS H . . 3.360 2.942 2.650 3.363 0.003 11 0 "[ . 1 . 2]" 1
554 1 53 LYS H 1 54 THR H . . 4.520 4.407 4.308 4.531 0.011 11 0 "[ . 1 . 2]" 1
555 1 52 GLY H 1 53 LYS H . . 3.380 2.608 2.507 2.865 . 0 0 "[ . 1 . 2]" 1
556 1 64 ALA H 1 65 TYR H . . 3.310 2.418 2.386 2.442 . 0 0 "[ . 1 . 2]" 1
557 1 21 ARG H 1 22 GLU H . . 3.050 2.621 2.263 2.852 . 0 0 "[ . 1 . 2]" 1
558 1 65 TYR H 1 66 VAL H . . 3.030 2.050 1.998 2.140 . 0 0 "[ . 1 . 2]" 1
559 1 16 GLN H 1 17 GLU H . . 4.350 3.681 3.514 4.001 . 0 0 "[ . 1 . 2]" 1
560 1 42 TRP H 1 63 ALA H . . 4.260 3.744 3.346 4.088 . 0 0 "[ . 1 . 2]" 1
561 1 63 ALA H 1 64 ALA H . . 3.290 2.640 2.630 2.648 . 0 0 "[ . 1 . 2]" 1
562 1 23 VAL H 1 60 PHE H . . 4.060 2.931 2.602 3.201 . 0 0 "[ . 1 . 2]" 1
563 1 23 VAL H 1 24 THR H . . 4.520 4.422 4.403 4.453 . 0 0 "[ . 1 . 2]" 1
564 1 15 TYR QD 1 16 GLN H . . 4.010 2.915 2.785 3.129 . 0 0 "[ . 1 . 2]" 1
565 1 60 PHE H 1 60 PHE QD . . 3.710 2.827 2.382 3.454 . 0 0 "[ . 1 . 2]" 1
566 1 13 TYR H 1 14 ASP H . . 4.510 4.424 4.341 4.500 . 0 0 "[ . 1 . 2]" 1
567 1 41 TRP HE3 1 42 TRP H . . 4.650 4.154 3.856 4.363 . 0 0 "[ . 1 . 2]" 1
568 1 42 TRP H 1 42 TRP HE3 . . 5.140 4.649 4.485 4.801 . 0 0 "[ . 1 . 2]" 1
569 1 41 TRP HE3 1 61 VAL H . . 4.110 3.549 3.230 3.790 . 0 0 "[ . 1 . 2]" 1
570 1 15 TYR QE 1 18 LYS H . . 4.910 4.831 4.461 4.931 0.021 7 0 "[ . 1 . 2]" 1
571 1 15 TYR QE 1 23 VAL H . . 4.960 4.647 4.007 4.971 0.011 16 0 "[ . 1 . 2]" 1
572 1 65 TYR H 1 65 TYR QD . . 3.970 3.236 2.225 3.551 . 0 0 "[ . 1 . 2]" 1
573 1 44 VAL H 1 60 PHE HA . . 3.990 3.182 3.026 3.372 . 0 0 "[ . 1 . 2]" 1
574 1 60 PHE HA 1 61 VAL H . . 2.830 2.242 2.194 2.293 . 0 0 "[ . 1 . 2]" 1
575 1 46 VAL H 1 58 GLN HA . . 3.910 3.352 2.993 3.751 . 0 0 "[ . 1 . 2]" 1
576 1 58 GLN HA 1 59 GLY H . . 2.710 2.205 2.160 2.381 . 0 0 "[ . 1 . 2]" 1
577 1 42 TRP HA 1 42 TRP HE1 . . 5.060 4.761 4.642 4.887 . 0 0 "[ . 1 . 2]" 1
578 1 12 LEU H 1 66 VAL HA . . 3.320 2.611 2.245 2.845 . 0 0 "[ . 1 . 2]" 1
579 1 42 TRP HA 1 43 LYS H . . 3.000 2.292 2.220 2.448 . 0 0 "[ . 1 . 2]" 1
580 1 22 GLU HA 1 60 PHE H . . 2.960 2.281 2.140 2.342 . 0 0 "[ . 1 . 2]" 1
581 1 22 GLU HA 1 23 VAL H . . 3.070 2.455 2.277 2.686 . 0 0 "[ . 1 . 2]" 1
582 1 45 GLU HA 1 46 VAL H . . 2.750 2.147 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
583 1 45 GLU HA 1 59 GLY H . . 4.160 3.319 3.142 3.605 . 0 0 "[ . 1 . 2]" 1
584 1 8 LEU HA 1 33 LEU H . . 3.660 2.413 1.947 2.845 . 0 0 "[ . 1 . 2]" 1
585 1 8 LEU HA 1 9 VAL H . . 2.850 2.268 2.209 2.344 . 0 0 "[ . 1 . 2]" 1
586 1 44 VAL HA 1 45 GLU H . . 2.980 2.353 2.274 2.442 . 0 0 "[ . 1 . 2]" 1
587 1 49 THR HA 1 50 ALA H . . 2.660 2.151 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
588 1 49 THR HA 1 55 TYR H . . 3.870 3.330 3.036 3.675 . 0 0 "[ . 1 . 2]" 1
589 1 9 VAL HA 1 69 LEU H . . 3.530 2.711 1.936 3.031 . 0 0 "[ . 1 . 2]" 1
590 1 17 GLU H 1 24 THR HA . . 3.810 3.592 3.336 3.794 . 0 0 "[ . 1 . 2]" 1
591 1 24 THR HA 1 25 MET H . . 2.800 2.396 2.209 2.464 . 0 0 "[ . 1 . 2]" 1
592 1 10 LEU HA 1 11 ALA H . . 2.720 2.204 2.153 2.255 . 0 0 "[ . 1 . 2]" 1
593 1 50 ALA H 1 54 THR HA . . 3.950 3.554 3.438 3.854 . 0 0 "[ . 1 . 2]" 1
594 1 54 THR HA 1 55 TYR H . . 2.710 2.153 2.141 2.209 . 0 0 "[ . 1 . 2]" 1
595 1 41 TRP HA 1 63 ALA H . . 3.340 2.442 2.244 2.642 . 0 0 "[ . 1 . 2]" 1
596 1 41 TRP HA 1 42 TRP H . . 2.900 2.212 2.152 2.248 . 0 0 "[ . 1 . 2]" 1
597 1 48 ALA H 1 56 GLU HA . . 4.000 3.190 2.934 3.511 . 0 0 "[ . 1 . 2]" 1
598 1 56 GLU HA 1 57 ARG H . . 2.800 2.246 2.163 2.322 . 0 0 "[ . 1 . 2]" 1
599 1 30 ILE HA 1 31 LEU H . . 2.780 2.162 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
600 1 31 LEU HA 1 32 THR H . . 2.910 2.216 2.161 2.277 . 0 0 "[ . 1 . 2]" 1
601 1 9 VAL H 1 30 ILE HA . . 4.700 4.335 4.135 4.536 . 0 0 "[ . 1 . 2]" 1
602 1 26 LYS HA 1 27 LYS H . . 2.770 2.336 2.228 2.405 . 0 0 "[ . 1 . 2]" 1
603 1 15 TYR H 1 26 LYS HA . . 3.880 3.381 3.160 3.590 . 0 0 "[ . 1 . 2]" 1
604 1 14 ASP H 1 26 LYS HA . . 4.850 4.633 3.973 4.863 0.013 17 0 "[ . 1 . 2]" 1
605 1 38 ASN HA 1 39 LYS H . . 2.710 2.503 2.416 2.560 . 0 0 "[ . 1 . 2]" 1
606 1 38 ASN HA 1 38 ASN HD21 . . 3.890 2.493 1.985 3.037 . 0 0 "[ . 1 . 2]" 1
607 1 55 TYR HA 1 56 GLU H . . 2.800 2.317 2.178 2.701 . 0 0 "[ . 1 . 2]" 1
608 1 67 LYS HA 1 68 LYS H . . 2.640 2.207 2.149 2.266 . 0 0 "[ . 1 . 2]" 1
609 1 47 LYS HA 1 48 ALA H . . 2.740 2.255 2.173 2.294 . 0 0 "[ . 1 . 2]" 1
610 1 47 LYS HA 1 55 TYR H . . 4.990 4.917 4.303 4.997 0.007 2 0 "[ . 1 . 2]" 1
611 1 47 LYS HA 1 57 ARG H . . 3.940 3.525 3.249 3.803 . 0 0 "[ . 1 . 2]" 1
612 1 47 LYS HA 1 56 GLU H . . 5.000 4.752 4.338 4.995 . 0 0 "[ . 1 . 2]" 1
613 1 35 ASN HA 1 36 SER H . . 2.780 2.155 2.139 2.204 . 0 0 "[ . 1 . 2]" 1
614 1 53 LYS HA 1 54 THR H . . 2.660 2.235 2.165 2.359 . 0 0 "[ . 1 . 2]" 1
615 1 2 ASP HA 1 3 GLU H . . 3.150 2.774 2.427 3.017 . 0 0 "[ . 1 . 2]" 1
616 1 15 TYR HA 1 16 GLN H . . 2.840 2.501 2.329 2.582 . 0 0 "[ . 1 . 2]" 1
617 1 57 ARG HA 1 58 GLN H . . 2.810 2.242 2.172 2.338 . 0 0 "[ . 1 . 2]" 1
618 1 32 THR HA 1 33 LEU H . . 2.840 2.155 2.141 2.228 . 0 0 "[ . 1 . 2]" 1
619 1 11 ALA HA 1 12 LEU H . . 2.810 2.191 2.142 2.328 . 0 0 "[ . 1 . 2]" 1
620 1 14 ASP HA 1 27 LYS H . . 3.570 3.224 2.764 3.397 . 0 0 "[ . 1 . 2]" 1
621 1 14 ASP HA 1 15 TYR H . . 2.850 2.380 2.261 2.441 . 0 0 "[ . 1 . 2]" 1
622 1 11 ALA HA 1 67 LYS H . . 4.810 3.992 3.916 4.066 . 0 0 "[ . 1 . 2]" 1
623 1 13 TYR HA 1 14 ASP H . . 2.810 2.366 2.168 2.687 . 0 0 "[ . 1 . 2]" 1
624 1 48 ALA HA 1 49 THR H . . 2.840 2.329 2.184 2.452 . 0 0 "[ . 1 . 2]" 1
625 1 9 VAL H 1 32 THR HA . . 4.560 3.640 3.367 3.876 . 0 0 "[ . 1 . 2]" 1
626 1 50 ALA HA 1 52 GLY H . . 4.340 3.467 3.319 4.017 . 0 0 "[ . 1 . 2]" 1
627 1 40 ASP HA 1 63 ALA H . . 4.450 4.108 3.876 4.289 . 0 0 "[ . 1 . 2]" 1
628 1 29 ASP HA 1 30 ILE H . . 2.730 2.432 2.206 2.579 . 0 0 "[ . 1 . 2]" 1
629 1 68 LYS HA 1 69 LEU H . . 2.740 2.271 2.141 2.376 . 0 0 "[ . 1 . 2]" 1
630 1 10 LEU H 1 68 LYS HA . . 4.270 3.680 3.499 3.929 . 0 0 "[ . 1 . 2]" 1
631 1 16 GLN HA 1 17 GLU H . . 2.710 2.211 2.163 2.240 . 0 0 "[ . 1 . 2]" 1
632 1 16 GLN HA 1 25 MET H . . 4.900 4.781 4.601 4.940 0.040 19 0 "[ . 1 . 2]" 1
633 1 69 LEU HA 1 70 ASP H . . 3.280 2.796 2.525 3.316 0.036 18 0 "[ . 1 . 2]" 1
634 1 43 LYS HA 1 44 VAL H . . 2.880 2.147 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
635 1 51 ASN H 1 51 ASN HA . . 2.750 2.277 2.274 2.293 . 0 0 "[ . 1 . 2]" 1
636 1 3 GLU HA 1 4 THR H . . 3.110 2.558 2.138 2.927 . 0 0 "[ . 1 . 2]" 1
637 1 43 LYS HA 1 61 VAL H . . 4.070 3.776 3.531 3.885 . 0 0 "[ . 1 . 2]" 1
638 1 43 LYS HA 1 59 GLY H . . 4.400 4.351 4.188 4.421 0.021 16 0 "[ . 1 . 2]" 1
639 1 51 ASN HA 1 52 GLY H . . 3.320 2.894 2.605 3.005 . 0 0 "[ . 1 . 2]" 1
640 1 33 LEU HA 1 35 ASN H . . 4.230 3.972 3.742 4.192 . 0 0 "[ . 1 . 2]" 1
641 1 37 THR HB 1 38 ASN H . . 4.240 4.085 3.868 4.199 . 0 0 "[ . 1 . 2]" 1
642 1 37 THR H 1 37 THR HB . . 3.400 2.701 2.476 3.601 0.201 11 0 "[ . 1 . 2]" 1
643 1 4 THR HA 1 5 GLY H . . 3.100 2.164 2.145 2.247 . 0 0 "[ . 1 . 2]" 1
644 1 39 LYS HA 1 42 TRP HE1 . . 3.460 2.131 1.944 3.104 . 0 0 "[ . 1 . 2]" 1
645 1 19 SER HB2 1 21 ARG H . . 4.320 3.469 2.204 4.207 . 0 0 "[ . 1 . 2]" 1
646 1 32 THR HB 1 45 GLU H . . 3.910 3.238 2.954 3.569 . 0 0 "[ . 1 . 2]" 1
647 1 32 THR H 1 32 THR HB . . 3.130 2.831 2.470 3.106 . 0 0 "[ . 1 . 2]" 1
648 1 17 GLU H 1 24 THR HB . . 4.560 2.090 1.930 3.475 . 0 0 "[ . 1 . 2]" 1
649 1 36 SER HA 1 38 ASN H . . 4.240 3.265 3.107 3.488 . 0 0 "[ . 1 . 2]" 1
650 1 24 THR H 1 24 THR HB . . 3.130 3.039 2.758 3.160 0.030 7 0 "[ . 1 . 2]" 1
651 1 54 THR HB 1 55 TYR H . . 4.060 3.377 3.007 3.582 . 0 0 "[ . 1 . 2]" 1
652 1 5 GLY QA 1 6 LYS H . . 3.070 2.811 2.679 2.901 . 0 0 "[ . 1 . 2]" 1
653 1 36 SER HA 1 42 TRP HE1 . . 4.560 4.455 3.991 4.578 0.018 4 0 "[ . 1 . 2]" 1
654 1 49 THR H 1 49 THR HB . . 3.460 2.816 2.570 3.006 . 0 0 "[ . 1 . 2]" 1
655 1 20 PRO HD2 1 21 ARG H . . 4.410 2.710 2.647 2.779 . 0 0 "[ . 1 . 2]" 1
656 1 19 SER HB3 1 21 ARG H . . 4.320 3.083 2.142 4.223 . 0 0 "[ . 1 . 2]" 1
657 1 38 ASN HB2 1 41 TRP H . . 4.260 4.119 3.812 4.258 . 0 0 "[ . 1 . 2]" 1
658 1 38 ASN H 1 38 ASN HB2 . . 3.440 2.458 2.314 2.693 . 0 0 "[ . 1 . 2]" 1
659 1 38 ASN HB2 1 39 LYS H . . 4.240 3.872 3.793 3.970 . 0 0 "[ . 1 . 2]" 1
660 1 38 ASN HB2 1 40 ASP H . . 4.670 4.562 4.154 4.676 0.006 7 0 "[ . 1 . 2]" 1
661 1 62 PRO HA 1 63 ALA H . . 2.670 2.161 2.151 2.168 . 0 0 "[ . 1 . 2]" 1
662 1 42 TRP H 1 62 PRO HA . . 4.550 4.266 4.051 4.358 . 0 0 "[ . 1 . 2]" 1
663 1 62 PRO HA 1 64 ALA H . . 4.200 3.396 3.362 3.503 . 0 0 "[ . 1 . 2]" 1
664 1 65 TYR H 1 65 TYR HB3 . . 3.700 3.690 3.656 3.714 0.014 19 0 "[ . 1 . 2]" 1
665 1 13 TYR H 1 65 TYR HB3 . . 4.260 2.640 2.410 2.961 . 0 0 "[ . 1 . 2]" 1
666 1 60 PHE H 1 60 PHE HB3 . . 3.890 3.700 3.615 3.765 . 0 0 "[ . 1 . 2]" 1
667 1 60 PHE HB3 1 61 VAL H . . 3.760 2.882 2.739 3.053 . 0 0 "[ . 1 . 2]" 1
668 1 13 TYR HB3 1 14 ASP H . . 3.160 2.610 1.946 3.164 0.004 15 0 "[ . 1 . 2]" 1
669 1 13 TYR H 1 13 TYR HB3 . . 4.050 3.773 3.700 3.825 . 0 0 "[ . 1 . 2]" 1
670 1 15 TYR HB2 1 16 GLN H . . 4.310 3.844 3.770 4.039 . 0 0 "[ . 1 . 2]" 1
671 1 15 TYR HB2 1 25 MET H . . 4.660 3.166 2.685 3.703 . 0 0 "[ . 1 . 2]" 1
672 1 15 TYR H 1 15 TYR HB2 . . 3.850 2.995 2.907 3.116 . 0 0 "[ . 1 . 2]" 1
673 1 65 TYR H 1 65 TYR HB2 . . 3.150 2.517 2.441 2.572 . 0 0 "[ . 1 . 2]" 1
674 1 65 TYR HB2 1 66 VAL H . . 4.290 3.068 2.986 3.468 . 0 0 "[ . 1 . 2]" 1
675 1 41 TRP HB3 1 42 TRP H . . 4.120 3.001 2.860 3.286 . 0 0 "[ . 1 . 2]" 1
676 1 42 TRP HB2 1 43 LYS H . . 3.970 3.810 3.427 3.976 0.006 11 0 "[ . 1 . 2]" 1
677 1 38 ASN HB3 1 41 TRP H . . 4.260 2.601 2.262 2.795 . 0 0 "[ . 1 . 2]" 1
678 1 38 ASN H 1 38 ASN HB3 . . 3.440 2.908 2.832 2.985 . 0 0 "[ . 1 . 2]" 1
679 1 15 TYR HB3 1 16 GLN H . . 4.510 3.064 2.810 3.494 . 0 0 "[ . 1 . 2]" 1
680 1 15 TYR HB3 1 25 MET H . . 3.880 2.145 1.938 2.471 . 0 0 "[ . 1 . 2]" 1
681 1 11 ALA H 1 29 ASP HB2 . . 5.380 4.544 3.759 5.291 . 0 0 "[ . 1 . 2]" 1
682 1 26 LYS H 1 29 ASP HB2 . . 4.040 2.133 1.929 2.573 . 0 0 "[ . 1 . 2]" 1
683 1 70 ASP H 1 70 ASP QB . . 3.410 2.456 2.158 3.358 . 0 0 "[ . 1 . 2]" 1
684 1 29 ASP H 1 29 ASP HB2 . . 2.950 2.418 2.235 2.607 . 0 0 "[ . 1 . 2]" 1
685 1 29 ASP HB2 1 30 ILE H . . 4.180 3.845 3.605 4.181 0.001 8 0 "[ . 1 . 2]" 1
686 1 15 TYR H 1 15 TYR HB3 . . 3.280 3.030 2.811 3.107 . 0 0 "[ . 1 . 2]" 1
687 1 14 ASP H 1 14 ASP HB2 . . 3.840 3.367 2.409 3.643 . 0 0 "[ . 1 . 2]" 1
688 1 41 TRP HB2 1 42 TRP H . . 4.360 3.942 3.816 4.194 . 0 0 "[ . 1 . 2]" 1
689 1 36 SER H 1 36 SER HB2 . . 4.190 3.725 3.216 3.875 . 0 0 "[ . 1 . 2]" 1
690 1 41 TRP H 1 41 TRP HB2 . . 3.440 2.768 2.655 2.874 . 0 0 "[ . 1 . 2]" 1
691 1 36 SER HB2 1 37 THR H . . 5.140 4.486 4.395 4.609 . 0 0 "[ . 1 . 2]" 1
692 1 42 TRP HB3 1 43 LYS H . . 4.060 2.734 2.373 2.946 . 0 0 "[ . 1 . 2]" 1
693 1 35 ASN HB3 1 35 ASN HD22 . . 3.880 3.527 3.437 3.636 . 0 0 "[ . 1 . 2]" 1
694 1 22 GLU H 1 22 GLU QG . . 4.370 4.154 4.000 4.304 . 0 0 "[ . 1 . 2]" 1
695 1 18 LYS H 1 22 GLU QG . . 4.250 3.729 2.945 4.070 . 0 0 "[ . 1 . 2]" 1
696 1 19 SER H 1 22 GLU QG . . 4.510 4.285 3.778 4.521 0.011 17 0 "[ . 1 . 2]" 1
697 1 22 GLU QG 1 23 VAL H . . 3.220 1.981 1.903 2.244 . 0 0 "[ . 1 . 2]" 1
698 1 42 TRP H 1 63 ALA HA . . 4.730 4.491 4.208 4.728 . 0 0 "[ . 1 . 2]" 1
699 1 63 ALA HA 1 65 TYR H . . 4.400 3.815 3.787 3.901 . 0 0 "[ . 1 . 2]" 1
700 1 63 ALA HA 1 66 VAL H . . 4.380 3.090 3.041 3.115 . 0 0 "[ . 1 . 2]" 1
701 1 40 ASP HB2 1 41 TRP HE1 . . 4.200 3.787 3.524 4.032 . 0 0 "[ . 1 . 2]" 1
702 1 35 ASN HB2 1 43 LYS H . . 4.180 4.137 3.897 4.203 0.023 13 0 "[ . 1 . 2]" 1
703 1 40 ASP HB2 1 41 TRP H . . 3.830 2.487 2.302 2.859 . 0 0 "[ . 1 . 2]" 1
704 1 40 ASP H 1 40 ASP HB2 . . 3.290 2.473 2.382 2.728 . 0 0 "[ . 1 . 2]" 1
705 1 35 ASN H 1 35 ASN HB2 . . 3.690 2.778 2.593 2.964 . 0 0 "[ . 1 . 2]" 1
706 1 60 PHE H 1 60 PHE HB2 . . 3.300 2.525 2.389 2.650 . 0 0 "[ . 1 . 2]" 1
707 1 14 ASP H 1 14 ASP HB3 . . 3.840 2.649 2.291 3.046 . 0 0 "[ . 1 . 2]" 1
708 1 60 PHE HB2 1 61 VAL H . . 4.300 3.980 3.841 4.132 . 0 0 "[ . 1 . 2]" 1
709 1 26 LYS H 1 29 ASP HB3 . . 4.150 2.812 2.367 3.323 . 0 0 "[ . 1 . 2]" 1
710 1 29 ASP H 1 29 ASP HB3 . . 3.620 3.104 2.584 3.609 . 0 0 "[ . 1 . 2]" 1
711 1 29 ASP HB3 1 30 ILE H . . 3.580 2.889 2.171 3.570 . 0 0 "[ . 1 . 2]" 1
712 1 14 ASP HB3 1 15 TYR H . . 3.910 3.726 3.497 3.914 0.004 6 0 "[ . 1 . 2]" 1
713 1 20 PRO QB 1 21 ARG H . . 4.530 3.406 3.178 3.525 . 0 0 "[ . 1 . 2]" 1
714 1 58 GLN H 1 58 GLN HG3 . . 3.720 2.897 2.392 3.502 . 0 0 "[ . 1 . 2]" 1
715 1 22 GLU HB2 1 23 VAL H . . 4.340 3.902 3.663 4.078 . 0 0 "[ . 1 . 2]" 1
716 1 3 GLU H 1 3 GLU QG . . 3.810 2.677 1.917 3.810 . 0 0 "[ . 1 . 2]" 1
717 1 22 GLU H 1 22 GLU HB2 . . 3.920 2.767 2.314 3.083 . 0 0 "[ . 1 . 2]" 1
718 1 40 ASP HB3 1 41 TRP HE1 . . 4.170 2.961 2.804 3.412 . 0 0 "[ . 1 . 2]" 1
719 1 16 GLN H 1 16 GLN QG . . 4.390 4.067 3.518 4.315 . 0 0 "[ . 1 . 2]" 1
720 1 40 ASP HB3 1 41 TRP H . . 4.280 3.486 3.166 3.874 . 0 0 "[ . 1 . 2]" 1
721 1 40 ASP H 1 40 ASP HB3 . . 3.810 3.633 3.592 3.820 0.010 17 0 "[ . 1 . 2]" 1
722 1 25 MET HB2 1 26 LYS H . . 3.880 2.754 2.216 3.431 . 0 0 "[ . 1 . 2]" 1
723 1 17 GLU H 1 17 GLU HB3 . . 2.990 2.547 2.478 2.705 . 0 0 "[ . 1 . 2]" 1
724 1 25 MET H 1 25 MET HB2 . . 4.160 3.473 2.736 4.041 . 0 0 "[ . 1 . 2]" 1
725 1 22 GLU H 1 22 GLU HB3 . . 3.260 2.937 2.630 3.102 . 0 0 "[ . 1 . 2]" 1
726 1 18 LYS H 1 22 GLU HB3 . . 3.520 3.111 2.949 3.345 . 0 0 "[ . 1 . 2]" 1
727 1 45 GLU QG 1 58 GLN H . . 5.060 4.151 3.442 4.704 . 0 0 "[ . 1 . 2]" 1
728 1 19 SER H 1 22 GLU HB3 . . 3.090 2.907 2.597 3.119 0.029 19 0 "[ . 1 . 2]" 1
729 1 17 GLU HB3 1 23 VAL H . . 4.230 3.753 3.072 4.092 . 0 0 "[ . 1 . 2]" 1
730 1 22 GLU HB3 1 23 VAL H . . 4.360 3.149 2.446 3.685 . 0 0 "[ . 1 . 2]" 1
731 1 58 GLN HE21 1 58 GLN HG2 . . 3.340 2.440 2.136 2.724 . 0 0 "[ . 1 . 2]" 1
732 1 58 GLN HE22 1 58 GLN HG2 . . 3.990 3.567 3.443 3.689 . 0 0 "[ . 1 . 2]" 1
733 1 58 GLN HG2 1 59 GLY H . . 4.350 4.063 3.483 4.276 . 0 0 "[ . 1 . 2]" 1
734 1 45 GLU QG 1 57 ARG H . . 4.250 3.133 2.778 3.433 . 0 0 "[ . 1 . 2]" 1
735 1 45 GLU QG 1 46 VAL H . . 3.540 2.906 2.518 3.268 . 0 0 "[ . 1 . 2]" 1
736 1 62 PRO HD2 1 65 TYR H . . 5.340 5.109 4.822 5.193 . 0 0 "[ . 1 . 2]" 1
737 1 1 MET QB 1 3 GLU H . . 4.320 3.632 2.483 4.324 0.004 20 0 "[ . 1 . 2]" 1
738 1 44 VAL HB 1 45 GLU H . . 2.980 2.514 2.290 2.724 . 0 0 "[ . 1 . 2]" 1
739 1 32 THR H 1 44 VAL HB . . 4.150 3.706 3.275 3.984 . 0 0 "[ . 1 . 2]" 1
740 1 3 GLU HB3 1 4 THR H . . 4.760 4.057 2.191 4.653 . 0 0 "[ . 1 . 2]" 1
741 1 13 TYR H 1 13 TYR HB2 . . 3.680 2.644 2.515 2.730 . 0 0 "[ . 1 . 2]" 1
742 1 46 VAL HB 1 47 LYS H . . 3.420 2.612 2.207 3.450 0.030 14 0 "[ . 1 . 2]" 1
743 1 46 VAL HB 1 57 ARG H . . 5.500 4.715 3.440 5.380 . 0 0 "[ . 1 . 2]" 1
744 1 9 VAL HB 1 68 LYS H . . 4.290 3.964 3.694 4.254 . 0 0 "[ . 1 . 2]" 1
745 1 36 SER H 1 36 SER HB3 . . 4.190 3.057 2.721 3.319 . 0 0 "[ . 1 . 2]" 1
746 1 7 GLU QB 1 8 LEU H . . 4.180 3.581 2.582 3.961 . 0 0 "[ . 1 . 2]" 1
747 1 18 LYS H 1 18 LYS QB . . 3.280 2.953 2.664 3.173 . 0 0 "[ . 1 . 2]" 1
748 1 18 LYS QB 1 19 SER H . . 3.970 3.605 2.737 3.926 . 0 0 "[ . 1 . 2]" 1
749 1 7 GLU QB 1 33 LEU H . . 4.180 3.376 2.962 3.866 . 0 0 "[ . 1 . 2]" 1
750 1 9 VAL HB 1 10 LEU H . . 3.320 2.803 2.661 2.896 . 0 0 "[ . 1 . 2]" 1
751 1 7 GLU H 1 7 GLU QB . . 3.120 2.948 2.782 3.238 0.118 16 0 "[ . 1 . 2]" 1
752 1 45 GLU H 1 45 GLU QB . . 3.560 2.398 2.337 2.451 . 0 0 "[ . 1 . 2]" 1
753 1 9 VAL HB 1 67 LYS H . . 3.760 3.183 2.931 3.423 . 0 0 "[ . 1 . 2]" 1
754 1 32 THR H 1 45 GLU QB . . 4.440 4.098 3.480 4.379 . 0 0 "[ . 1 . 2]" 1
755 1 58 GLN H 1 58 GLN QB . . 3.390 2.337 2.182 2.505 . 0 0 "[ . 1 . 2]" 1
756 1 58 GLN QB 1 58 GLN HE21 . . 4.240 2.436 1.997 3.184 . 0 0 "[ . 1 . 2]" 1
757 1 58 GLN QB 1 59 GLY H . . 3.980 2.992 2.466 3.165 . 0 0 "[ . 1 . 2]" 1
758 1 21 ARG HB2 1 22 GLU H . . 4.680 4.275 3.723 4.507 . 0 0 "[ . 1 . 2]" 1
759 1 56 GLU H 1 56 GLU QB . . 3.060 2.539 2.277 3.012 . 0 0 "[ . 1 . 2]" 1
760 1 21 ARG H 1 21 ARG HB2 . . 3.710 3.022 2.321 3.697 . 0 0 "[ . 1 . 2]" 1
761 1 56 GLU QB 1 57 ARG H . . 3.750 2.814 2.584 3.137 . 0 0 "[ . 1 . 2]" 1
762 1 10 LEU H 1 66 VAL HB . . 4.780 4.392 4.243 4.782 0.002 16 0 "[ . 1 . 2]" 1
763 1 66 VAL HB 1 67 LYS H . . 3.220 2.903 2.632 3.113 . 0 0 "[ . 1 . 2]" 1
764 1 23 VAL HB 1 24 THR H . . 3.170 2.026 1.955 2.311 . 0 0 "[ . 1 . 2]" 1
765 1 43 LYS QB 1 58 GLN HE21 . . 4.980 4.676 4.288 4.975 . 0 0 "[ . 1 . 2]" 1
766 1 25 MET HB3 1 26 LYS H . . 3.880 3.071 2.217 3.913 0.033 9 0 "[ . 1 . 2]" 1
767 1 25 MET H 1 25 MET HB3 . . 4.160 3.638 3.148 3.945 . 0 0 "[ . 1 . 2]" 1
768 1 53 LYS QB 1 54 THR H . . 3.440 3.027 2.516 3.439 . 0 0 "[ . 1 . 2]" 1
769 1 23 VAL H 1 23 VAL HB . . 3.870 3.747 3.691 3.808 . 0 0 "[ . 1 . 2]" 1
770 1 50 ALA H 1 53 LYS QB . . 4.380 3.729 3.418 3.923 . 0 0 "[ . 1 . 2]" 1
771 1 53 LYS H 1 53 LYS QB . . 3.230 2.574 2.156 2.702 . 0 0 "[ . 1 . 2]" 1
772 1 39 LYS H 1 39 LYS QB . . 3.110 2.852 2.598 3.093 . 0 0 "[ . 1 . 2]" 1
773 1 33 LEU H 1 33 LEU QB . . 3.150 2.234 2.179 2.293 . 0 0 "[ . 1 . 2]" 1
774 1 57 ARG H 1 57 ARG QB . . 3.760 3.107 3.009 3.220 . 0 0 "[ . 1 . 2]" 1
775 1 57 ARG QB 1 58 GLN H . . 3.750 2.823 2.557 3.061 . 0 0 "[ . 1 . 2]" 1
776 1 16 GLN H 1 16 GLN QB . . 2.960 2.696 2.556 2.773 . 0 0 "[ . 1 . 2]" 1
777 1 17 GLU H 1 17 GLU HB2 . . 3.660 3.591 3.581 3.595 . 0 0 "[ . 1 . 2]" 1
778 1 6 LYS QB 1 7 GLU H . . 3.870 2.738 1.934 3.536 . 0 0 "[ . 1 . 2]" 1
779 1 17 GLU HB2 1 18 LYS H . . 4.240 2.823 2.625 3.016 . 0 0 "[ . 1 . 2]" 1
780 1 30 ILE H 1 30 ILE HB . . 3.120 2.826 2.674 2.938 . 0 0 "[ . 1 . 2]" 1
781 1 6 LYS H 1 6 LYS QB . . 3.760 2.708 2.153 3.125 . 0 0 "[ . 1 . 2]" 1
782 1 17 GLU HB2 1 19 SER H . . 4.280 3.012 2.670 3.495 . 0 0 "[ . 1 . 2]" 1
783 1 67 LYS QB 1 68 LYS H . . 3.990 3.516 2.883 3.759 . 0 0 "[ . 1 . 2]" 1
784 1 26 LYS H 1 26 LYS QB . . 3.160 2.575 2.432 2.820 . 0 0 "[ . 1 . 2]" 1
785 1 10 LEU H 1 10 LEU HB2 . . 3.480 2.845 2.424 3.060 . 0 0 "[ . 1 . 2]" 1
786 1 27 LYS H 1 27 LYS QD . . 3.340 2.123 1.979 2.754 . 0 0 "[ . 1 . 2]" 1
787 1 67 LYS H 1 67 LYS QB . . 3.260 2.609 2.461 2.886 . 0 0 "[ . 1 . 2]" 1
788 1 11 ALA MB 1 30 ILE H . . 4.460 4.357 4.064 4.512 0.052 8 0 "[ . 1 . 2]" 1
789 1 8 LEU HB2 1 9 VAL H . . 4.400 4.080 3.928 4.202 . 0 0 "[ . 1 . 2]" 1
790 1 31 LEU H 1 31 LEU HB3 . . 3.910 3.761 3.613 3.876 . 0 0 "[ . 1 . 2]" 1
791 1 11 ALA MB 1 12 LEU H . . 3.680 3.427 3.197 3.645 . 0 0 "[ . 1 . 2]" 1
792 1 11 ALA H 1 11 ALA MB . . 2.870 2.192 2.100 2.276 . 0 0 "[ . 1 . 2]" 1
793 1 11 ALA MB 1 29 ASP H . . 2.880 2.054 1.921 2.228 . 0 0 "[ . 1 . 2]" 1
794 1 18 LYS H 1 18 LYS QD . . 3.970 2.031 1.899 2.303 . 0 0 "[ . 1 . 2]" 1
795 1 43 LYS QD 1 59 GLY H . . 3.610 3.093 2.308 3.645 0.035 9 0 "[ . 1 . 2]" 1
796 1 31 LEU HB3 1 45 GLU H . . 4.080 3.719 3.156 3.974 . 0 0 "[ . 1 . 2]" 1
797 1 31 LEU HB3 1 32 THR H . . 3.250 2.972 2.737 3.229 . 0 0 "[ . 1 . 2]" 1
798 1 21 ARG H 1 21 ARG HB3 . . 3.710 2.828 2.551 3.266 . 0 0 "[ . 1 . 2]" 1
799 1 47 LYS H 1 47 LYS HB3 . . 3.810 3.427 2.323 3.757 . 0 0 "[ . 1 . 2]" 1
800 1 57 ARG H 1 57 ARG QG . . 3.330 2.224 1.938 2.571 . 0 0 "[ . 1 . 2]" 1
801 1 46 VAL H 1 57 ARG QG . . 4.020 3.227 2.747 3.709 . 0 0 "[ . 1 . 2]" 1
802 1 57 ARG QG 1 58 GLN H . . 4.240 4.046 3.631 4.244 0.004 3 0 "[ . 1 . 2]" 1
803 1 18 LYS H 1 18 LYS QG . . 4.090 2.644 2.079 3.490 . 0 0 "[ . 1 . 2]" 1
804 1 9 VAL H 1 31 LEU HB2 . . 4.780 4.022 3.687 4.342 . 0 0 "[ . 1 . 2]" 1
805 1 31 LEU H 1 31 LEU HB2 . . 3.680 2.653 2.432 2.947 . 0 0 "[ . 1 . 2]" 1
806 1 39 LYS H 1 39 LYS QG . . 3.250 2.241 1.990 2.674 . 0 0 "[ . 1 . 2]" 1
807 1 47 LYS HG2 1 48 ALA H . . 5.140 4.183 3.403 5.129 . 0 0 "[ . 1 . 2]" 1
808 1 34 LEU H 1 43 LYS QG . . 4.400 3.971 3.664 4.227 . 0 0 "[ . 1 . 2]" 1
809 1 68 LYS QG 1 69 LEU H . . 4.930 3.338 2.193 4.062 . 0 0 "[ . 1 . 2]" 1
810 1 50 ALA MB 1 53 LYS H . . 4.830 4.266 4.163 4.327 . 0 0 "[ . 1 . 2]" 1
811 1 43 LYS QG 1 45 GLU H . . 5.150 5.036 4.829 5.159 0.009 4 0 "[ . 1 . 2]" 1
812 1 34 LEU HB3 1 35 ASN H . . 3.870 3.290 3.018 3.567 . 0 0 "[ . 1 . 2]" 1
813 1 35 ASN H 1 43 LYS QG . . 4.270 3.496 3.077 3.816 . 0 0 "[ . 1 . 2]" 1
814 1 50 ALA MB 1 51 ASN HD21 . . 4.090 2.607 2.155 4.122 0.032 7 0 "[ . 1 . 2]" 1
815 1 68 LYS H 1 68 LYS QG . . 4.170 2.792 1.980 4.035 . 0 0 "[ . 1 . 2]" 1
816 1 10 LEU H 1 10 LEU HB3 . . 3.480 2.459 2.284 2.837 . 0 0 "[ . 1 . 2]" 1
817 1 12 LEU H 1 12 LEU HG . . 3.230 2.029 1.939 2.257 . 0 0 "[ . 1 . 2]" 1
818 1 17 GLU H 1 24 THR MG . . 3.730 3.443 3.294 3.735 0.005 12 0 "[ . 1 . 2]" 1
819 1 12 LEU HG 1 67 LYS H . . 3.730 3.396 2.735 3.709 . 0 0 "[ . 1 . 2]" 1
820 1 12 LEU HG 1 13 TYR H . . 4.460 4.015 3.922 4.134 . 0 0 "[ . 1 . 2]" 1
821 1 8 LEU H 1 8 LEU HB3 . . 4.150 3.632 3.427 3.791 . 0 0 "[ . 1 . 2]" 1
822 1 8 LEU H 1 8 LEU HG . . 4.420 3.805 3.093 4.414 . 0 0 "[ . 1 . 2]" 1
823 1 21 ARG H 1 21 ARG QG . . 4.190 3.173 1.931 4.176 . 0 0 "[ . 1 . 2]" 1
824 1 8 LEU HB3 1 9 VAL H . . 3.560 2.838 2.617 3.033 . 0 0 "[ . 1 . 2]" 1
825 1 37 THR H 1 37 THR MG . . 3.240 2.010 1.927 2.301 . 0 0 "[ . 1 . 2]" 1
826 1 35 ASN HD21 1 37 THR MG . . 4.320 2.885 1.989 3.514 . 0 0 "[ . 1 . 2]" 1
827 1 35 ASN HD22 1 37 THR MG . . 4.320 3.562 2.611 4.294 . 0 0 "[ . 1 . 2]" 1
828 1 47 LYS H 1 47 LYS HG3 . . 4.470 3.326 1.981 4.428 . 0 0 "[ . 1 . 2]" 1
829 1 62 PRO HB3 1 63 ALA H . . 4.270 4.171 4.049 4.213 . 0 0 "[ . 1 . 2]" 1
830 1 47 LYS HG3 1 48 ALA H . . 5.140 4.575 2.350 5.137 . 0 0 "[ . 1 . 2]" 1
831 1 62 PRO HB3 1 65 TYR H . . 4.390 4.431 4.405 4.487 0.097 20 0 "[ . 1 . 2]" 1
832 1 10 LEU HG 1 11 ALA H . . 3.870 2.831 2.150 3.359 . 0 0 "[ . 1 . 2]" 1
833 1 10 LEU H 1 10 LEU HG . . 4.980 4.360 4.187 4.532 . 0 0 "[ . 1 . 2]" 1
834 1 10 LEU H 1 69 LEU HG . . 5.500 4.019 2.161 5.370 . 0 0 "[ . 1 . 2]" 1
835 1 4 THR MG 1 5 GLY H . . 4.330 3.797 3.290 4.214 . 0 0 "[ . 1 . 2]" 1
836 1 12 LEU H 1 12 LEU HB2 . . 3.320 2.652 2.576 2.693 . 0 0 "[ . 1 . 2]" 1
837 1 34 LEU HB2 1 44 VAL H . . 4.580 4.576 4.516 4.607 0.027 11 0 "[ . 1 . 2]" 1
838 1 64 ALA MB 1 65 TYR H . . 3.750 2.932 2.893 2.963 . 0 0 "[ . 1 . 2]" 1
839 1 64 ALA H 1 64 ALA MB . . 2.710 2.238 2.063 2.264 . 0 0 "[ . 1 . 2]" 1
840 1 12 LEU HB2 1 13 TYR H . . 3.750 2.471 2.243 2.831 . 0 0 "[ . 1 . 2]" 1
841 1 48 ALA H 1 54 THR MG . . 4.690 4.420 4.109 4.628 . 0 0 "[ . 1 . 2]" 1
842 1 54 THR MG 1 55 TYR H . . 3.710 3.601 3.446 3.711 0.001 11 0 "[ . 1 . 2]" 1
843 1 34 LEU HB2 1 35 ASN H . . 3.250 2.771 2.387 2.988 . 0 0 "[ . 1 . 2]" 1
844 1 32 THR MG 1 33 LEU H . . 3.000 2.736 2.408 3.004 0.004 1 0 "[ . 1 . 2]" 1
845 1 7 GLU H 1 32 THR MG . . 4.020 3.033 2.691 3.334 . 0 0 "[ . 1 . 2]" 1
846 1 34 LEU HB2 1 45 GLU H . . 5.500 4.337 4.013 4.927 . 0 0 "[ . 1 . 2]" 1
847 1 29 ASP H 1 30 ILE HG13 . . 5.060 4.997 4.820 5.088 0.028 13 0 "[ . 1 . 2]" 1
848 1 30 ILE H 1 30 ILE HG13 . . 4.070 2.847 2.492 3.038 . 0 0 "[ . 1 . 2]" 1
849 1 23 VAL H 1 61 VAL MG1 . . 3.900 3.613 3.274 3.895 . 0 0 "[ . 1 . 2]" 1
850 1 49 THR MG 1 50 ALA H . . 3.580 2.766 2.242 3.047 . 0 0 "[ . 1 . 2]" 1
851 1 49 THR MG 1 53 LYS H . . 4.160 3.239 2.912 3.694 . 0 0 "[ . 1 . 2]" 1
852 1 48 ALA MB 1 49 THR H . . 3.120 2.612 2.272 2.985 . 0 0 "[ . 1 . 2]" 1
853 1 49 THR MG 1 52 GLY H . . 4.130 3.582 3.115 3.958 . 0 0 "[ . 1 . 2]" 1
854 1 9 VAL QG 1 68 LYS H . . 4.100 3.276 2.717 3.599 . 0 0 "[ . 1 . 2]" 1
855 1 9 VAL QG 1 69 LEU H . . 3.790 3.245 3.075 3.615 . 0 0 "[ . 1 . 2]" 1
856 1 46 VAL QG 1 59 GLY H . . 4.620 3.946 3.569 4.270 . 0 0 "[ . 1 . 2]" 1
857 1 46 VAL QG 1 47 LYS H . . 3.390 2.755 1.934 3.312 . 0 0 "[ . 1 . 2]" 1
858 1 46 VAL QG 1 57 ARG H . . 3.950 3.237 2.720 3.959 0.009 2 0 "[ . 1 . 2]" 1
859 1 46 VAL H 1 46 VAL QG . . 3.270 2.045 1.892 2.342 . 0 0 "[ . 1 . 2]" 1
860 1 24 THR H 1 46 VAL QG . . 4.480 3.113 2.502 3.467 . 0 0 "[ . 1 . 2]" 1
861 1 31 LEU QD 1 45 GLU H . . 4.770 4.429 4.060 4.765 . 0 0 "[ . 1 . 2]" 1
862 1 30 ILE H 1 31 LEU QD . . 3.690 2.963 2.617 3.572 . 0 0 "[ . 1 . 2]" 1
863 1 10 LEU QD 1 29 ASP H . . 4.120 3.476 2.932 4.118 . 0 0 "[ . 1 . 2]" 1
864 1 10 LEU QD 1 11 ALA H . . 3.170 2.364 1.960 2.891 . 0 0 "[ . 1 . 2]" 1
865 1 10 LEU H 1 69 LEU MD1 . . 4.030 2.894 1.891 3.578 . 0 0 "[ . 1 . 2]" 1
866 1 8 LEU H 1 8 LEU MD1 . . 4.560 3.988 3.579 4.303 . 0 0 "[ . 1 . 2]" 1
867 1 10 LEU QD 1 28 GLY H . . 4.010 3.266 2.513 3.931 . 0 0 "[ . 1 . 2]" 1
868 1 44 VAL MG1 1 45 GLU H . . 3.880 3.727 3.586 3.837 . 0 0 "[ . 1 . 2]" 1
869 1 62 PRO HB2 1 65 TYR H . . 3.820 2.699 2.666 2.769 . 0 0 "[ . 1 . 2]" 1
870 1 62 PRO HB2 1 64 ALA H . . 4.000 2.729 2.537 2.801 . 0 0 "[ . 1 . 2]" 1
871 1 63 ALA H 1 66 VAL QG . . 4.590 3.751 3.691 3.913 . 0 0 "[ . 1 . 2]" 1
872 1 12 LEU MD1 1 67 LYS H . . 4.070 3.873 3.322 4.072 0.002 14 0 "[ . 1 . 2]" 1
873 1 65 TYR H 1 66 VAL QG . . 3.800 3.215 3.160 3.335 . 0 0 "[ . 1 . 2]" 1
874 1 66 VAL H 1 66 VAL QG . . 2.890 2.033 1.923 2.149 . 0 0 "[ . 1 . 2]" 1
875 1 33 LEU MD1 1 34 LEU H . . 3.510 2.600 2.238 3.187 . 0 0 "[ . 1 . 2]" 1
876 1 43 LYS H 1 61 VAL MG2 . . 5.500 4.795 4.596 4.976 . 0 0 "[ . 1 . 2]" 1
877 1 12 LEU HB3 1 13 TYR H . . 4.210 3.710 3.547 4.013 . 0 0 "[ . 1 . 2]" 1
878 1 13 TYR H 1 66 VAL QG . . 4.600 4.056 3.755 4.349 . 0 0 "[ . 1 . 2]" 1
879 1 33 LEU MD1 1 35 ASN H . . 3.390 2.404 2.106 2.975 . 0 0 "[ . 1 . 2]" 1
880 1 61 VAL MG2 1 63 ALA H . . 5.250 4.472 4.231 4.785 . 0 0 "[ . 1 . 2]" 1
881 1 62 PRO QG 1 63 ALA H . . 5.500 4.729 4.684 4.742 . 0 0 "[ . 1 . 2]" 1
882 1 33 LEU H 1 33 LEU MD2 . . 4.520 3.952 3.794 4.089 . 0 0 "[ . 1 . 2]" 1
883 1 42 TRP HE1 1 63 ALA MB . . 3.510 3.090 3.014 3.189 . 0 0 "[ . 1 . 2]" 1
884 1 63 ALA H 1 63 ALA MB . . 2.830 2.220 2.210 2.229 . 0 0 "[ . 1 . 2]" 1
885 1 42 TRP H 1 63 ALA MB . . 4.480 3.641 3.305 4.047 . 0 0 "[ . 1 . 2]" 1
886 1 41 TRP H 1 63 ALA MB . . 4.480 4.017 3.501 4.372 . 0 0 "[ . 1 . 2]" 1
887 1 14 ASP H 1 15 TYR H . . 4.730 4.605 4.546 4.642 . 0 0 "[ . 1 . 2]" 1
888 1 38 ASN H 1 42 TRP HE1 . . 4.920 4.852 4.554 4.926 0.006 20 0 "[ . 1 . 2]" 1
889 1 41 TRP H 1 42 TRP H . . 4.760 4.394 4.282 4.434 . 0 0 "[ . 1 . 2]" 1
890 1 30 ILE H 1 31 LEU H . . 4.730 4.289 4.070 4.439 . 0 0 "[ . 1 . 2]" 1
891 1 48 ALA H 1 49 THR H . . 4.570 4.403 4.310 4.447 . 0 0 "[ . 1 . 2]" 1
892 1 38 ASN H 1 38 ASN HD21 . . 4.700 4.184 3.966 4.389 . 0 0 "[ . 1 . 2]" 1
893 1 15 TYR H 1 16 GLN H . . 4.630 4.414 4.386 4.464 . 0 0 "[ . 1 . 2]" 1
894 1 66 VAL H 1 67 LYS H . . 4.670 4.453 4.279 4.510 . 0 0 "[ . 1 . 2]" 1
895 1 33 LEU H 1 45 GLU H . . 5.500 5.082 4.977 5.154 . 0 0 "[ . 1 . 2]" 1
896 1 26 LYS H 1 29 ASP H . . 4.660 3.871 3.674 4.058 . 0 0 "[ . 1 . 2]" 1
897 1 68 LYS H 1 69 LEU H . . 4.890 4.610 4.388 4.647 . 0 0 "[ . 1 . 2]" 1
898 1 34 LEU H 1 44 VAL H . . 5.060 4.662 4.456 4.807 . 0 0 "[ . 1 . 2]" 1
899 1 44 VAL H 1 61 VAL H . . 5.320 4.249 3.980 4.615 . 0 0 "[ . 1 . 2]" 1
900 1 17 GLU H 1 25 MET H . . 5.200 4.942 4.714 5.247 0.047 15 0 "[ . 1 . 2]" 1
901 1 31 LEU H 1 32 THR H . . 4.860 4.404 4.345 4.497 . 0 0 "[ . 1 . 2]" 1
902 1 15 TYR H 1 15 TYR QD . . 4.840 4.396 4.357 4.461 . 0 0 "[ . 1 . 2]" 1
903 1 15 TYR QD 1 25 MET H . . 4.830 3.811 3.540 4.103 . 0 0 "[ . 1 . 2]" 1
904 1 60 PHE QD 1 61 VAL H . . 4.330 3.774 3.092 4.213 . 0 0 "[ . 1 . 2]" 1
905 1 43 LYS H 1 60 PHE QD . . 4.940 4.024 3.647 4.310 . 0 0 "[ . 1 . 2]" 1
906 1 43 LYS H 1 60 PHE QE . . 5.030 4.508 3.607 4.999 . 0 0 "[ . 1 . 2]" 1
907 1 37 THR H 1 42 TRP HD1 . . 5.320 4.916 4.523 5.247 . 0 0 "[ . 1 . 2]" 1
908 1 40 ASP H 1 42 TRP HD1 . . 5.500 4.916 3.869 5.165 . 0 0 "[ . 1 . 2]" 1
909 1 40 ASP H 1 41 TRP HD1 . . 4.740 4.201 3.943 4.377 . 0 0 "[ . 1 . 2]" 1
910 1 40 ASP H 1 42 TRP HE1 . . 4.960 4.536 3.497 4.837 . 0 0 "[ . 1 . 2]" 1
911 1 41 TRP H 1 42 TRP HE1 . . 5.460 4.891 4.313 5.234 . 0 0 "[ . 1 . 2]" 1
912 1 51 ASN H 1 53 LYS H . . 4.990 4.183 4.087 4.360 . 0 0 "[ . 1 . 2]" 1
913 1 44 VAL H 1 45 GLU H . . 4.710 4.485 4.438 4.511 . 0 0 "[ . 1 . 2]" 1
914 1 43 LYS H 1 44 VAL H . . 4.890 4.368 4.297 4.469 . 0 0 "[ . 1 . 2]" 1
915 1 25 MET H 1 26 LYS H . . 4.720 4.399 4.367 4.433 . 0 0 "[ . 1 . 2]" 1
916 1 17 GLU H 1 18 LYS H . . 4.910 4.633 4.608 4.643 . 0 0 "[ . 1 . 2]" 1
917 1 22 GLU H 1 60 PHE H . . 5.140 5.130 4.947 5.176 0.036 11 0 "[ . 1 . 2]" 1
918 1 12 LEU H 1 66 VAL H . . 4.980 4.693 4.359 4.783 . 0 0 "[ . 1 . 2]" 1
919 1 24 THR H 1 25 MET H . . 4.890 4.417 4.301 4.468 . 0 0 "[ . 1 . 2]" 1
920 1 13 TYR H 1 28 GLY H . . 5.500 5.242 4.922 5.506 0.006 9 0 "[ . 1 . 2]" 1
921 1 64 ALA H 1 65 TYR QD . . 5.030 4.622 3.222 5.020 . 0 0 "[ . 1 . 2]" 1
922 1 41 TRP H 1 63 ALA H . . 5.090 4.536 4.206 4.716 . 0 0 "[ . 1 . 2]" 1
923 1 35 ASN HD22 1 37 THR H . . 4.620 4.471 3.967 4.625 0.005 16 0 "[ . 1 . 2]" 1
924 1 41 TRP H 1 41 TRP HE1 . . 5.500 5.071 4.929 5.321 . 0 0 "[ . 1 . 2]" 1
925 1 67 LYS H 1 68 LYS H . . 4.700 4.358 4.203 4.450 . 0 0 "[ . 1 . 2]" 1
926 1 42 TRP H 1 60 PHE QD . . 4.700 4.371 3.747 4.703 0.003 20 0 "[ . 1 . 2]" 1
927 1 42 TRP HZ3 1 68 LYS H . . 4.690 2.650 2.293 2.971 . 0 0 "[ . 1 . 2]" 1
928 1 12 LEU H 1 13 TYR QD . . 4.900 4.426 3.921 4.897 . 0 0 "[ . 1 . 2]" 1
929 1 55 TYR H 1 55 TYR QE . . 4.960 4.247 3.909 4.471 . 0 0 "[ . 1 . 2]" 1
930 1 38 ASN HD22 1 41 TRP H . . 5.210 5.096 4.777 5.213 0.003 19 0 "[ . 1 . 2]" 1
931 1 22 GLU HB2 1 60 PHE H . . 4.640 4.556 4.343 4.675 0.035 19 0 "[ . 1 . 2]" 1
932 1 17 GLU QG 1 18 LYS H . . 5.360 4.164 3.840 4.456 . 0 0 "[ . 1 . 2]" 1
933 1 18 LYS H 1 22 GLU HB2 . . 5.500 4.007 3.300 4.282 . 0 0 "[ . 1 . 2]" 1
934 1 22 GLU HB3 1 60 PHE H . . 5.190 4.915 4.501 5.181 . 0 0 "[ . 1 . 2]" 1
935 1 22 GLU QG 1 60 PHE H . . 4.620 2.842 2.356 3.702 . 0 0 "[ . 1 . 2]" 1
936 1 23 VAL HB 1 60 PHE H . . 5.500 5.503 5.405 5.527 0.027 17 0 "[ . 1 . 2]" 1
937 1 41 TRP HB3 1 61 VAL H . . 4.960 3.381 3.150 3.657 . 0 0 "[ . 1 . 2]" 1
938 1 42 TRP HB2 1 61 VAL H . . 5.500 4.107 3.886 4.277 . 0 0 "[ . 1 . 2]" 1
939 1 46 VAL H 1 58 GLN HG3 . . 5.500 5.097 4.739 5.438 . 0 0 "[ . 1 . 2]" 1
940 1 30 ILE HB 1 31 LEU H . . 4.490 4.074 3.971 4.218 . 0 0 "[ . 1 . 2]" 1
941 1 9 VAL HA 1 67 LYS H . . 4.620 4.524 4.293 4.644 0.024 3 0 "[ . 1 . 2]" 1
942 1 33 LEU HA 1 45 GLU H . . 4.920 4.125 3.979 4.259 . 0 0 "[ . 1 . 2]" 1
943 1 15 TYR H 1 24 THR HA . . 5.120 4.908 4.395 5.071 . 0 0 "[ . 1 . 2]" 1
944 1 32 THR HB 1 33 LEU H . . 4.720 3.994 3.517 4.359 . 0 0 "[ . 1 . 2]" 1
945 1 59 GLY QA 1 60 PHE H . . 3.360 2.280 2.268 2.283 . 0 0 "[ . 1 . 2]" 1
946 1 43 LYS HA 1 60 PHE H . . 5.030 4.730 4.580 4.837 . 0 0 "[ . 1 . 2]" 1
947 1 5 GLY QA 1 7 GLU H . . 4.950 4.262 3.336 4.972 0.022 12 0 "[ . 1 . 2]" 1
948 1 9 VAL HA 1 68 LYS H . . 5.150 4.496 4.202 4.677 . 0 0 "[ . 1 . 2]" 1
949 1 24 THR HB 1 25 MET H . . 4.650 3.940 3.801 4.276 . 0 0 "[ . 1 . 2]" 1
950 1 42 TRP H 1 60 PHE HB3 . . 4.770 4.376 4.152 4.752 . 0 0 "[ . 1 . 2]" 1
951 1 12 LEU H 1 65 TYR HB3 . . 5.100 4.213 3.638 4.922 . 0 0 "[ . 1 . 2]" 1
952 1 42 TRP HE1 1 63 ALA HA . . 5.500 5.495 5.421 5.528 0.028 4 0 "[ . 1 . 2]" 1
953 1 2 ASP QB 1 3 GLU H . . 4.100 3.929 3.779 4.048 . 0 0 "[ . 1 . 2]" 1
954 1 58 GLN HG3 1 59 GLY H . . 4.920 4.723 4.115 4.906 . 0 0 "[ . 1 . 2]" 1
955 1 33 LEU MD1 1 36 SER H . . 4.840 3.043 2.588 3.474 . 0 0 "[ . 1 . 2]" 1
956 1 49 THR MG 1 51 ASN H . . 5.120 4.811 4.532 5.118 . 0 0 "[ . 1 . 2]" 1
957 1 30 ILE HG13 1 31 LEU H . . 5.240 5.078 4.943 5.158 . 0 0 "[ . 1 . 2]" 1
958 1 8 LEU HB3 1 31 LEU H . . 4.750 4.207 3.928 4.591 . 0 0 "[ . 1 . 2]" 1
959 1 25 MET H 1 61 VAL MG1 . . 5.500 4.642 4.299 4.845 . 0 0 "[ . 1 . 2]" 1
960 1 25 MET H 1 31 LEU QD . . 5.230 4.816 4.421 5.312 0.082 19 0 "[ . 1 . 2]" 1
961 1 12 LEU H 1 66 VAL HB . . 4.860 4.698 4.314 4.878 0.018 16 0 "[ . 1 . 2]" 1
962 1 3 GLU QG 1 4 THR H . . 4.840 4.144 2.225 4.829 . 0 0 "[ . 1 . 2]" 1
963 1 3 GLU HB2 1 4 THR H . . 4.760 4.055 1.952 4.543 . 0 0 "[ . 1 . 2]" 1
964 1 36 SER HB3 1 37 THR H . . 5.140 4.553 4.099 4.663 . 0 0 "[ . 1 . 2]" 1
965 1 39 LYS QB 1 40 ASP H . . 4.280 3.455 2.872 3.987 . 0 0 "[ . 1 . 2]" 1
966 1 21 ARG HB3 1 22 GLU H . . 4.680 4.016 2.925 4.658 . 0 0 "[ . 1 . 2]" 1
967 1 53 LYS H 1 53 LYS QD . . 4.740 4.191 2.980 4.533 . 0 0 "[ . 1 . 2]" 1
968 1 21 ARG QG 1 22 GLU H . . 4.750 3.922 2.144 4.608 . 0 0 "[ . 1 . 2]" 1
969 1 62 PRO HB3 1 64 ALA H . . 3.990 4.028 3.958 4.061 0.071 17 0 "[ . 1 . 2]" 1
970 1 23 VAL MG1 1 58 GLN H . . 4.920 4.807 4.381 4.938 0.018 17 0 "[ . 1 . 2]" 1
971 1 40 ASP H 1 63 ALA MB . . 4.720 4.303 3.847 4.537 . 0 0 "[ . 1 . 2]" 1
972 1 10 LEU H 1 69 LEU MD2 . . 4.030 2.945 2.012 4.041 0.011 9 0 "[ . 1 . 2]" 1
973 1 7 GLU H 1 8 LEU HG . . 5.180 4.289 3.508 5.264 0.084 14 0 "[ . 1 . 2]" 1
974 1 50 ALA MB 1 52 GLY H . . 4.930 4.441 4.318 4.852 . 0 0 "[ . 1 . 2]" 1
975 1 34 LEU HB2 1 59 GLY H . . 5.500 5.482 5.336 5.516 0.016 17 0 "[ . 1 . 2]" 1
976 1 37 THR MG 1 43 LYS H . . 5.410 5.049 4.829 5.410 0.000 6 0 "[ . 1 . 2]" 1
977 1 63 ALA MB 1 65 TYR H . . 4.790 4.522 4.507 4.568 . 0 0 "[ . 1 . 2]" 1
978 1 35 ASN H 1 44 VAL MG1 . . 4.670 4.425 4.002 4.674 0.004 14 0 "[ . 1 . 2]" 1
979 1 64 ALA MB 1 66 VAL H . . 4.570 4.517 4.371 4.573 0.003 11 0 "[ . 1 . 2]" 1
980 1 12 LEU HG 1 66 VAL H . . 4.900 4.852 4.592 4.911 0.011 18 0 "[ . 1 . 2]" 1
981 1 16 GLN H 1 24 THR MG . . 5.490 5.314 4.971 5.407 . 0 0 "[ . 1 . 2]" 1
982 1 63 ALA H 1 64 ALA MB . . 4.610 4.279 4.190 4.296 . 0 0 "[ . 1 . 2]" 1
983 1 62 PRO HD2 1 66 VAL H . . 5.500 5.284 5.166 5.573 0.073 16 0 "[ . 1 . 2]" 1
984 1 20 PRO HG2 1 21 ARG H . . 4.020 2.703 2.333 2.918 . 0 0 "[ . 1 . 2]" 1
985 1 23 VAL H 1 60 PHE HB2 . . 4.890 4.547 4.323 4.905 0.015 15 0 "[ . 1 . 2]" 1
986 1 38 ASN HD22 1 40 ASP HB2 . . 5.000 4.670 4.097 4.932 . 0 0 "[ . 1 . 2]" 1
987 1 41 TRP HB3 1 63 ALA H . . 4.910 4.622 4.368 4.914 0.004 11 0 "[ . 1 . 2]" 1
988 1 41 TRP HB2 1 63 ALA H . . 5.500 5.342 5.057 5.511 0.011 11 0 "[ . 1 . 2]" 1
989 1 65 TYR HB3 1 66 VAL H . . 4.680 3.997 3.865 4.265 . 0 0 "[ . 1 . 2]" 1
990 1 17 GLU HA 1 23 VAL H . . 5.120 4.746 3.976 5.104 . 0 0 "[ . 1 . 2]" 1
991 1 23 VAL H 1 24 THR HB . . 5.500 5.556 5.500 5.650 0.150 15 0 "[ . 1 . 2]" 1
992 1 62 PRO HA 1 65 TYR H . . 5.080 4.481 4.452 4.539 . 0 0 "[ . 1 . 2]" 1
993 1 8 LEU HA 1 32 THR H . . 5.500 4.631 4.392 4.928 . 0 0 "[ . 1 . 2]" 1
994 1 32 THR H 1 44 VAL HA . . 5.500 5.092 4.892 5.312 . 0 0 "[ . 1 . 2]" 1
995 1 8 LEU HA 1 31 LEU H . . 5.250 4.589 4.419 4.866 . 0 0 "[ . 1 . 2]" 1
996 1 42 TRP H 1 60 PHE HA . . 4.700 4.461 4.242 4.704 0.004 17 0 "[ . 1 . 2]" 1
997 1 10 LEU H 1 66 VAL HA . . 4.740 4.737 4.667 4.777 0.037 9 0 "[ . 1 . 2]" 1
998 1 13 TYR H 1 66 VAL HA . . 4.840 4.519 3.970 4.784 . 0 0 "[ . 1 . 2]" 1
999 1 45 GLU H 1 58 GLN HA . . 5.190 4.685 4.502 4.946 . 0 0 "[ . 1 . 2]" 1
1000 1 41 TRP HA 1 61 VAL H . . 4.740 4.200 4.025 4.400 . 0 0 "[ . 1 . 2]" 1
1001 1 9 VAL H 1 68 LYS HA . . 5.100 4.526 4.352 4.714 . 0 0 "[ . 1 . 2]" 1
1002 1 51 ASN HB3 1 53 LYS H . . 5.500 4.938 4.429 5.531 0.031 7 0 "[ . 1 . 2]" 1
1003 1 51 ASN HB2 1 53 LYS H . . 5.500 3.729 3.128 5.148 . 0 0 "[ . 1 . 2]" 1
1004 1 53 LYS H 1 53 LYS QE . . 5.500 4.910 2.435 5.486 . 0 0 "[ . 1 . 2]" 1
1005 1 64 ALA H 1 65 TYR HB2 . . 5.040 4.664 4.558 4.741 . 0 0 "[ . 1 . 2]" 1
1006 1 51 ASN HA 1 53 LYS H . . 5.000 4.444 4.270 4.611 . 0 0 "[ . 1 . 2]" 1
1007 1 4 THR HA 1 6 LYS H . . 4.680 3.679 3.456 4.020 . 0 0 "[ . 1 . 2]" 1
1008 1 4 THR H 1 6 LYS H . . 5.500 5.146 4.441 5.541 0.041 16 0 "[ . 1 . 2]" 1
1009 1 18 LYS H 1 18 LYS QE . . 5.230 3.488 2.085 4.182 . 0 0 "[ . 1 . 2]" 1
1010 1 21 ARG H 1 22 GLU HB2 . . 5.250 4.130 3.672 4.666 . 0 0 "[ . 1 . 2]" 1
1011 1 18 LYS QD 1 19 SER H . . 4.740 2.890 2.095 3.723 . 0 0 "[ . 1 . 2]" 1
1012 1 58 GLN QB 1 58 GLN HE22 . . 4.590 3.475 3.282 3.797 . 0 0 "[ . 1 . 2]" 1
1013 1 13 TYR H 1 65 TYR HB2 . . 4.400 4.210 3.959 4.447 0.047 11 0 "[ . 1 . 2]" 1
1014 1 49 THR H 1 50 ALA MB . . 5.330 4.224 3.960 4.569 . 0 0 "[ . 1 . 2]" 1
1015 1 49 THR H 1 54 THR MG . . 5.050 4.534 4.144 4.930 . 0 0 "[ . 1 . 2]" 1
1016 1 18 LYS H 1 22 GLU H . . 5.500 5.401 5.024 5.522 0.022 11 0 "[ . 1 . 2]" 1
1017 1 41 TRP HE3 1 63 ALA H . . 4.860 4.547 4.294 4.849 . 0 0 "[ . 1 . 2]" 1
1018 1 62 PRO QG 1 64 ALA H . . 4.660 4.246 4.032 4.318 . 0 0 "[ . 1 . 2]" 1
1019 1 64 ALA H 1 66 VAL QG . . 4.650 4.005 3.933 4.129 . 0 0 "[ . 1 . 2]" 1
1020 1 33 LEU MD1 1 37 THR H . . 5.180 4.963 4.584 5.184 0.004 12 0 "[ . 1 . 2]" 1
1021 1 6 LYS H 1 32 THR MG . . 5.030 3.724 3.223 4.034 . 0 0 "[ . 1 . 2]" 1
1022 1 66 VAL H 1 67 LYS QB . . 5.250 5.001 4.678 5.149 . 0 0 "[ . 1 . 2]" 1
1023 1 50 ALA MB 1 51 ASN H . . 3.570 2.772 2.616 2.982 . 0 0 "[ . 1 . 2]" 1
1024 1 11 ALA H 1 66 VAL QG . . 4.730 4.215 3.716 4.671 . 0 0 "[ . 1 . 2]" 1
1025 1 12 LEU H 1 12 LEU MD2 . . 3.730 3.235 2.966 3.550 . 0 0 "[ . 1 . 2]" 1
1026 1 9 VAL QG 1 67 LYS H . . 4.690 3.723 3.548 3.918 . 0 0 "[ . 1 . 2]" 1
1027 1 41 TRP HB2 1 41 TRP HE1 . . 5.160 4.823 4.796 4.838 . 0 0 "[ . 1 . 2]" 1
1028 1 43 LYS QD 1 58 GLN HE22 . . 5.030 4.879 3.918 5.034 0.004 5 0 "[ . 1 . 2]" 1
1029 1 17 GLU H 1 24 THR H . . 5.190 4.840 4.495 5.157 . 0 0 "[ . 1 . 2]" 1
1030 1 15 TYR QE 1 17 GLU H . . 5.050 4.952 4.732 5.062 0.012 19 0 "[ . 1 . 2]" 1
1031 1 42 TRP H 1 43 LYS H . . 4.920 4.490 4.456 4.529 . 0 0 "[ . 1 . 2]" 1
1032 1 43 LYS QD 1 58 GLN HE21 . . 4.730 3.529 2.421 3.926 . 0 0 "[ . 1 . 2]" 1
1033 1 55 TYR H 1 55 TYR QD . . 3.440 2.674 2.108 3.286 . 0 0 "[ . 1 . 2]" 1
1034 1 50 ALA H 1 55 TYR QD . . 4.090 3.402 2.863 3.994 . 0 0 "[ . 1 . 2]" 1
1035 1 50 ALA H 1 55 TYR QE . . 4.040 3.524 3.074 4.016 . 0 0 "[ . 1 . 2]" 1
1036 1 42 TRP HD1 1 43 LYS H . . 4.520 4.262 4.060 4.461 . 0 0 "[ . 1 . 2]" 1
1037 1 48 ALA H 1 55 TYR QD . . 4.640 4.402 3.902 4.636 . 0 0 "[ . 1 . 2]" 1
1038 1 38 ASN H 1 42 TRP HD1 . . 4.280 3.474 3.174 3.696 . 0 0 "[ . 1 . 2]" 1
1039 1 55 TYR QD 1 56 GLU H . . 3.840 3.414 2.252 3.801 . 0 0 "[ . 1 . 2]" 1
1040 1 13 TYR QD 1 14 ASP H . . 4.280 3.868 3.325 4.271 . 0 0 "[ . 1 . 2]" 1
1041 1 41 TRP H 1 41 TRP HD1 . . 3.710 2.764 2.540 3.038 . 0 0 "[ . 1 . 2]" 1
1042 1 41 TRP H 1 42 TRP HD1 . . 4.250 4.139 3.796 4.254 0.004 11 0 "[ . 1 . 2]" 1
1043 1 15 TYR QD 1 65 TYR QD . . 4.290 2.791 2.338 3.520 . 0 0 "[ . 1 . 2]" 1
1044 1 15 TYR QD 1 65 TYR QE . . 3.490 3.052 2.209 3.500 0.010 2 0 "[ . 1 . 2]" 1
1045 1 13 TYR H 1 65 TYR QD . . 4.400 4.283 3.861 4.418 0.018 8 0 "[ . 1 . 2]" 1
1046 1 13 TYR H 1 13 TYR QD . . 3.820 2.816 2.313 3.150 . 0 0 "[ . 1 . 2]" 1
1047 1 42 TRP HA 1 42 TRP HD1 . . 2.880 2.255 2.126 2.393 . 0 0 "[ . 1 . 2]" 1
1048 1 49 THR HA 1 55 TYR QD . . 4.490 3.770 3.061 4.380 . 0 0 "[ . 1 . 2]" 1
1049 1 54 THR HA 1 55 TYR QD . . 4.180 3.624 3.158 3.849 . 0 0 "[ . 1 . 2]" 1
1050 1 55 TYR HA 1 55 TYR QD . . 3.870 3.732 3.718 3.741 . 0 0 "[ . 1 . 2]" 1
1051 1 13 TYR QE 1 65 TYR HA . . 4.210 3.827 3.507 4.216 0.006 11 0 "[ . 1 . 2]" 1
1052 1 36 SER HA 1 42 TRP HD1 . . 3.430 2.855 2.338 3.079 . 0 0 "[ . 1 . 2]" 1
1053 1 13 TYR QD 1 65 TYR HB3 . . 3.980 3.186 2.704 3.917 . 0 0 "[ . 1 . 2]" 1
1054 1 15 TYR QE 1 18 LYS QE . . 4.680 4.158 3.378 4.690 0.010 16 0 "[ . 1 . 2]" 1
1055 1 41 TRP HB3 1 60 PHE QD . . 3.910 3.596 3.069 3.910 0.000 8 0 "[ . 1 . 2]" 1
1056 1 41 TRP HB2 1 41 TRP HD1 . . 3.520 2.762 2.683 2.803 . 0 0 "[ . 1 . 2]" 1
1057 1 22 GLU QG 1 60 PHE QD . . 4.740 4.217 3.289 4.747 0.007 5 0 "[ . 1 . 2]" 1
1058 1 41 TRP HB2 1 60 PHE QD . . 4.990 3.780 3.046 4.136 . 0 0 "[ . 1 . 2]" 1
1059 1 15 TYR QE 1 22 GLU QG . . 3.630 2.876 2.465 3.031 . 0 0 "[ . 1 . 2]" 1
1060 1 40 ASP HB2 1 41 TRP HD1 . . 3.190 2.159 2.000 2.495 . 0 0 "[ . 1 . 2]" 1
1061 1 15 TYR QE 1 62 PRO HD3 . . 4.300 3.117 2.871 3.359 . 0 0 "[ . 1 . 2]" 1
1062 1 15 TYR QE 1 22 GLU HB2 . . 5.500 5.486 5.149 5.538 0.038 11 0 "[ . 1 . 2]" 1
1063 1 40 ASP HB3 1 41 TRP HD1 . . 3.520 2.606 2.311 3.029 . 0 0 "[ . 1 . 2]" 1
1064 1 15 TYR QE 1 17 GLU HB3 . . 5.170 4.726 4.343 4.920 . 0 0 "[ . 1 . 2]" 1
1065 1 15 TYR QE 1 62 PRO HD2 . . 5.500 4.116 3.774 4.309 . 0 0 "[ . 1 . 2]" 1
1066 1 15 TYR QD 1 17 GLU HB3 . . 4.350 4.156 3.776 4.353 0.003 11 0 "[ . 1 . 2]" 1
1067 1 15 TYR QD 1 62 PRO HD2 . . 4.600 3.864 3.598 4.046 . 0 0 "[ . 1 . 2]" 1
1068 1 13 TYR HB2 1 65 TYR QD . . 3.820 2.984 1.998 3.442 . 0 0 "[ . 1 . 2]" 1
1069 1 41 TRP HZ3 1 62 PRO HD2 . . 4.400 3.872 3.757 4.059 . 0 0 "[ . 1 . 2]" 1
1070 1 13 TYR HB2 1 65 TYR QE . . 4.360 4.193 3.714 4.377 0.017 4 0 "[ . 1 . 2]" 1
1071 1 43 LYS QB 1 60 PHE QD . . 4.270 3.168 2.863 3.574 . 0 0 "[ . 1 . 2]" 1
1072 1 53 LYS QB 1 55 TYR QD . . 5.030 3.915 3.299 4.442 . 0 0 "[ . 1 . 2]" 1
1073 1 55 TYR QD 1 57 ARG QB . . 5.200 3.267 2.902 3.661 . 0 0 "[ . 1 . 2]" 1
1074 1 55 TYR QE 1 57 ARG QB . . 3.940 2.805 2.073 3.593 . 0 0 "[ . 1 . 2]" 1
1075 1 42 TRP HH2 1 67 LYS QB . . 4.140 4.128 3.962 4.178 0.038 20 0 "[ . 1 . 2]" 1
1076 1 55 TYR QD 1 57 ARG QG . . 4.480 4.146 3.449 4.474 . 0 0 "[ . 1 . 2]" 1
1077 1 55 TYR QE 1 57 ARG QG . . 3.980 3.522 2.869 3.957 . 0 0 "[ . 1 . 2]" 1
1078 1 50 ALA MB 1 55 TYR QD . . 4.160 3.506 2.811 4.152 . 0 0 "[ . 1 . 2]" 1
1079 1 21 ARG QG 1 60 PHE QD . . 4.340 4.029 3.261 4.347 0.007 11 0 "[ . 1 . 2]" 1
1080 1 12 LEU HB2 1 13 TYR QD . . 3.610 2.356 2.025 2.691 . 0 0 "[ . 1 . 2]" 1
1081 1 64 ALA MB 1 65 TYR QE . . 3.990 3.406 2.834 3.844 . 0 0 "[ . 1 . 2]" 1
1082 1 12 LEU HB2 1 13 TYR QE . . 3.980 3.322 2.893 3.744 . 0 0 "[ . 1 . 2]" 1
1083 1 15 TYR QD 1 61 VAL MG1 . . 3.970 3.750 3.237 3.978 0.008 5 0 "[ . 1 . 2]" 1
1084 1 48 ALA MB 1 55 TYR QE . . 3.660 2.588 2.311 2.976 . 0 0 "[ . 1 . 2]" 1
1085 1 42 TRP HH2 1 66 VAL QG . . 4.410 4.359 4.003 4.443 0.033 16 0 "[ . 1 . 2]" 1
1086 1 42 TRP HZ3 1 66 VAL QG . . 4.190 2.727 2.186 2.957 . 0 0 "[ . 1 . 2]" 1
1087 1 12 LEU HB3 1 13 TYR QD . . 4.130 3.510 3.145 3.812 . 0 0 "[ . 1 . 2]" 1
1088 1 12 LEU MD1 1 13 TYR QD . . 4.430 3.394 3.100 3.663 . 0 0 "[ . 1 . 2]" 1
1089 1 12 LEU HB3 1 13 TYR QE . . 4.170 3.486 3.108 3.954 . 0 0 "[ . 1 . 2]" 1
1090 1 15 TYR QD 1 62 PRO QG . . 4.220 3.027 2.813 3.234 . 0 0 "[ . 1 . 2]" 1
1091 1 41 TRP HH2 1 62 PRO QG . . 4.660 4.256 3.853 4.499 . 0 0 "[ . 1 . 2]" 1
1092 1 62 PRO QG 1 65 TYR QE . . 4.080 3.235 2.993 3.739 . 0 0 "[ . 1 . 2]" 1
1093 1 15 TYR QE 1 62 PRO QG . . 3.870 2.727 2.514 3.124 . 0 0 "[ . 1 . 2]" 1
1094 1 42 TRP HD1 1 63 ALA MB . . 4.140 3.748 3.449 4.079 . 0 0 "[ . 1 . 2]" 1
1095 1 42 TRP HZ2 1 63 ALA MB . . 4.030 2.710 2.568 2.940 . 0 0 "[ . 1 . 2]" 1
1096 1 13 TYR HA 1 13 TYR QD . . 3.700 2.923 2.757 3.114 . 0 0 "[ . 1 . 2]" 1
1097 1 15 TYR QE 1 16 GLN QB . . 5.500 5.318 5.052 5.423 . 0 0 "[ . 1 . 2]" 1
1098 1 15 TYR QE 1 17 GLU HB2 . . 5.500 5.373 4.970 5.505 0.005 1 0 "[ . 1 . 2]" 1
1099 1 15 TYR QE 1 61 VAL HB . . 5.500 5.470 5.155 5.520 0.020 16 0 "[ . 1 . 2]" 1
1100 1 62 PRO HB2 1 65 TYR QD . . 4.460 3.065 1.983 3.616 . 0 0 "[ . 1 . 2]" 1
1101 1 62 PRO HB2 1 65 TYR QE . . 4.580 4.013 3.410 4.352 . 0 0 "[ . 1 . 2]" 1
1102 1 42 TRP HH2 1 68 LYS H . . 4.430 3.096 2.658 3.450 . 0 0 "[ . 1 . 2]" 1
1103 1 3 GLU H 1 3 GLU QB . . 3.610 2.674 2.071 3.217 . 0 0 "[ . 1 . 2]" 1
1104 1 3 GLU QB 1 3 GLU QG . . 2.420 2.036 1.989 2.086 . 0 0 "[ . 1 . 2]" 1
1105 1 3 GLU QB 1 4 THR MG . . 4.550 4.040 3.380 4.594 0.044 15 0 "[ . 1 . 2]" 1
1106 1 4 THR HA 1 8 LEU QD . . 4.610 3.121 1.902 4.276 . 0 0 "[ . 1 . 2]" 1
1107 1 4 THR HB 1 8 LEU QD . . 4.810 2.975 1.891 4.303 . 0 0 "[ . 1 . 2]" 1
1108 1 4 THR MG 1 8 LEU QD . . 3.830 2.455 1.696 3.797 . 0 0 "[ . 1 . 2]" 1
1109 1 5 GLY QA 1 8 LEU QD . . 5.440 3.529 1.972 5.307 . 0 0 "[ . 1 . 2]" 1
1110 1 6 LYS H 1 8 LEU QD . . 4.830 3.889 2.138 4.771 . 0 0 "[ . 1 . 2]" 1
1111 1 6 LYS QD 1 8 LEU QD . . 5.200 3.872 2.436 5.302 0.102 4 0 "[ . 1 . 2]" 1
1112 1 7 GLU H 1 8 LEU QD . . 4.360 3.528 2.342 4.416 0.056 16 0 "[ . 1 . 2]" 1
1113 1 8 LEU H 1 8 LEU QD . . 3.790 3.262 2.260 3.802 0.012 2 0 "[ . 1 . 2]" 1
1114 1 8 LEU HA 1 8 LEU QD . . 2.680 2.309 1.899 2.687 0.007 4 0 "[ . 1 . 2]" 1
1115 1 8 LEU QD 1 9 VAL H . . 3.050 2.735 2.307 3.087 0.037 4 0 "[ . 1 . 2]" 1
1116 1 8 LEU QD 1 9 VAL HA . . 5.390 4.845 4.567 5.066 . 0 0 "[ . 1 . 2]" 1
1117 1 8 LEU QD 1 30 ILE MG . . 2.400 1.844 1.688 2.173 . 0 0 "[ . 1 . 2]" 1
1118 1 8 LEU QD 1 31 LEU H . . 3.570 3.148 2.933 3.545 . 0 0 "[ . 1 . 2]" 1
1119 1 8 LEU QD 1 31 LEU HA . . 4.080 3.143 2.935 3.397 . 0 0 "[ . 1 . 2]" 1
1120 1 8 LEU QD 1 32 THR H . . 4.150 2.756 2.502 2.997 . 0 0 "[ . 1 . 2]" 1
1121 1 8 LEU QD 1 32 THR HA . . 2.750 2.006 1.787 2.185 . 0 0 "[ . 1 . 2]" 1
1122 1 8 LEU QD 1 32 THR HB . . 4.340 3.552 3.314 3.780 . 0 0 "[ . 1 . 2]" 1
1123 1 8 LEU QD 1 32 THR MG . . 3.340 2.415 1.614 3.249 . 0 0 "[ . 1 . 2]" 1
1124 1 8 LEU QD 1 33 LEU H . . 3.820 3.405 2.696 3.824 0.004 16 0 "[ . 1 . 2]" 1
1125 1 8 LEU QD 1 33 LEU HA . . 5.440 5.280 4.831 5.536 0.096 16 0 "[ . 1 . 2]" 1
1126 1 9 VAL H 1 69 LEU QD . . 4.460 3.408 3.020 4.260 . 0 0 "[ . 1 . 2]" 1
1127 1 9 VAL HA 1 10 LEU QB . . 4.990 4.008 3.965 4.032 . 0 0 "[ . 1 . 2]" 1
1128 1 9 VAL HA 1 69 LEU QB . . 4.740 3.717 3.210 4.190 . 0 0 "[ . 1 . 2]" 1
1129 1 9 VAL HB 1 69 LEU QD . . 4.160 3.917 3.619 4.211 0.051 10 0 "[ . 1 . 2]" 1
1130 1 9 VAL QG 1 36 SER QB . . 5.340 4.653 4.227 5.056 . 0 0 "[ . 1 . 2]" 1
1131 1 9 VAL QG 1 68 LYS QB . . 3.640 2.781 2.115 3.283 . 0 0 "[ . 1 . 2]" 1
1132 1 9 VAL QG 1 69 LEU QD . . 3.420 3.371 3.212 3.462 0.042 11 0 "[ . 1 . 2]" 1
1133 1 10 LEU H 1 10 LEU QB . . 2.920 2.292 2.218 2.367 . 0 0 "[ . 1 . 2]" 1
1134 1 10 LEU H 1 69 LEU QD . . 3.420 2.335 1.879 2.864 . 0 0 "[ . 1 . 2]" 1
1135 1 10 LEU QB 1 11 ALA H . . 4.310 3.593 3.498 3.726 . 0 0 "[ . 1 . 2]" 1
1136 1 10 LEU QB 1 67 LYS H . . 4.520 3.624 3.361 3.843 . 0 0 "[ . 1 . 2]" 1
1137 1 10 LEU QB 1 69 LEU QD . . 3.400 1.816 1.646 2.039 . 0 0 "[ . 1 . 2]" 1
1138 1 10 LEU QD 1 28 GLY QA . . 3.480 2.438 2.074 3.084 . 0 0 "[ . 1 . 2]" 1
1139 1 11 ALA H 1 25 MET QB . . 5.340 4.860 4.377 5.335 . 0 0 "[ . 1 . 2]" 1
1140 1 11 ALA H 1 28 GLY QA . . 4.890 4.175 3.850 4.428 . 0 0 "[ . 1 . 2]" 1
1141 1 11 ALA HA 1 25 MET QB . . 4.880 4.385 3.759 4.920 0.040 9 0 "[ . 1 . 2]" 1
1142 1 11 ALA MB 1 25 MET QB . . 2.990 2.269 1.915 2.844 . 0 0 "[ . 1 . 2]" 1
1143 1 11 ALA MB 1 28 GLY QA . . 4.570 4.014 3.800 4.304 . 0 0 "[ . 1 . 2]" 1
1144 1 14 ASP H 1 14 ASP QB . . 3.260 2.530 2.240 2.900 . 0 0 "[ . 1 . 2]" 1
1145 1 14 ASP QB 1 15 TYR H . . 3.410 2.690 2.334 3.337 . 0 0 "[ . 1 . 2]" 1
1146 1 14 ASP QB 1 15 TYR HB2 . . 5.140 5.040 4.858 5.291 0.151 20 0 "[ . 1 . 2]" 1
1147 1 14 ASP QB 1 26 LYS H . . 5.340 5.161 4.793 5.411 0.071 20 0 "[ . 1 . 2]" 1
1148 1 14 ASP QB 1 26 LYS HA . . 4.060 2.624 2.211 2.835 . 0 0 "[ . 1 . 2]" 1
1149 1 14 ASP QB 1 26 LYS QG . . 4.680 3.250 2.038 4.649 . 0 0 "[ . 1 . 2]" 1
1150 1 14 ASP QB 1 27 LYS H . . 4.270 2.507 2.091 2.886 . 0 0 "[ . 1 . 2]" 1
1151 1 14 ASP QB 1 27 LYS QG . . 5.100 3.597 2.007 4.188 . 0 0 "[ . 1 . 2]" 1
1152 1 16 GLN HA 1 16 GLN QE . . 4.270 3.040 2.216 3.412 . 0 0 "[ . 1 . 2]" 1
1153 1 16 GLN QE 1 24 THR MG . . 4.260 4.057 2.874 4.267 0.007 17 0 "[ . 1 . 2]" 1
1154 1 18 LYS QB 1 19 SER QB . . 4.650 4.284 3.508 4.669 0.019 5 0 "[ . 1 . 2]" 1
1155 1 18 LYS QD 1 19 SER QB . . 5.340 3.398 2.058 4.596 . 0 0 "[ . 1 . 2]" 1
1156 1 18 LYS QE 1 19 SER QB . . 4.750 4.267 2.909 4.762 0.012 17 0 "[ . 1 . 2]" 1
1157 1 19 SER H 1 19 SER QB . . 3.610 2.617 2.328 3.236 . 0 0 "[ . 1 . 2]" 1
1158 1 19 SER H 1 20 PRO QD . . 4.840 4.353 4.343 4.369 . 0 0 "[ . 1 . 2]" 1
1159 1 19 SER HA 1 20 PRO QD . . 2.690 2.152 2.146 2.160 . 0 0 "[ . 1 . 2]" 1
1160 1 19 SER QB 1 20 PRO HG3 . . 4.770 4.571 4.380 4.742 . 0 0 "[ . 1 . 2]" 1
1161 1 19 SER QB 1 20 PRO QD . . 2.960 2.060 1.940 2.296 . 0 0 "[ . 1 . 2]" 1
1162 1 19 SER QB 1 21 ARG H . . 3.740 2.599 2.130 3.426 . 0 0 "[ . 1 . 2]" 1
1163 1 20 PRO HG2 1 21 ARG QB . . 4.030 3.408 3.151 3.772 . 0 0 "[ . 1 . 2]" 1
1164 1 20 PRO QD 1 21 ARG H . . 3.860 2.660 2.602 2.724 . 0 0 "[ . 1 . 2]" 1
1165 1 21 ARG H 1 21 ARG QB . . 3.170 2.514 2.226 3.059 . 0 0 "[ . 1 . 2]" 1
1166 1 21 ARG H 1 21 ARG QD . . 4.750 4.105 1.990 4.686 . 0 0 "[ . 1 . 2]" 1
1167 1 21 ARG QB 1 21 ARG QD . . 3.110 2.252 1.954 2.634 . 0 0 "[ . 1 . 2]" 1
1168 1 21 ARG QB 1 60 PHE QD . . 4.340 4.314 4.135 4.355 0.015 10 0 "[ . 1 . 2]" 1
1169 1 25 MET H 1 25 MET QB . . 3.650 3.045 2.680 3.362 . 0 0 "[ . 1 . 2]" 1
1170 1 25 MET QB 1 26 LYS H . . 3.200 2.315 2.188 2.528 . 0 0 "[ . 1 . 2]" 1
1171 1 25 MET QB 1 26 LYS QB . . 4.690 4.432 4.245 4.679 . 0 0 "[ . 1 . 2]" 1
1172 1 25 MET QB 1 29 ASP HB2 . . 4.140 3.019 2.254 3.744 . 0 0 "[ . 1 . 2]" 1
1173 1 25 MET QB 1 29 ASP HB3 . . 3.490 2.710 2.070 3.497 0.007 5 0 "[ . 1 . 2]" 1
1174 1 25 MET QB 1 31 LEU QD . . 3.190 2.198 1.875 2.712 . 0 0 "[ . 1 . 2]" 1
1175 1 31 LEU H 1 69 LEU QD . . 5.440 4.382 3.933 4.984 . 0 0 "[ . 1 . 2]" 1
1176 1 32 THR HB 1 34 LEU QD . . 4.260 2.892 2.516 3.658 . 0 0 "[ . 1 . 2]" 1
1177 1 32 THR MG 1 34 LEU QD . . 3.530 2.904 2.175 3.494 . 0 0 "[ . 1 . 2]" 1
1178 1 33 LEU HA 1 34 LEU QD . . 4.320 3.615 3.300 4.335 0.015 5 0 "[ . 1 . 2]" 1
1179 1 33 LEU HG 1 36 SER QB . . 4.240 2.854 2.604 3.418 . 0 0 "[ . 1 . 2]" 1
1180 1 33 LEU MD1 1 36 SER QB . . 3.400 2.261 1.943 2.612 . 0 0 "[ . 1 . 2]" 1
1181 1 33 LEU MD2 1 34 LEU QD . . 4.650 4.209 3.882 4.664 0.014 10 0 "[ . 1 . 2]" 1
1182 1 33 LEU MD2 1 36 SER QB . . 2.860 2.605 2.320 2.867 0.007 9 0 "[ . 1 . 2]" 1
1183 1 34 LEU H 1 34 LEU QD . . 3.810 2.962 2.638 3.491 . 0 0 "[ . 1 . 2]" 1
1184 1 34 LEU HA 1 34 LEU QD . . 2.970 2.010 1.895 2.558 . 0 0 "[ . 1 . 2]" 1
1185 1 34 LEU HB3 1 34 LEU QD . . 2.960 2.203 2.031 2.306 . 0 0 "[ . 1 . 2]" 1
1186 1 34 LEU QD 1 35 ASN H . . 4.500 3.943 3.858 4.141 . 0 0 "[ . 1 . 2]" 1
1187 1 34 LEU QD 1 44 VAL HA . . 3.670 2.868 2.547 3.454 . 0 0 "[ . 1 . 2]" 1
1188 1 34 LEU QD 1 45 GLU H . . 3.900 2.478 2.122 3.377 . 0 0 "[ . 1 . 2]" 1
1189 1 34 LEU QD 1 45 GLU QB . . 3.750 1.893 1.763 2.019 . 0 0 "[ . 1 . 2]" 1
1190 1 34 LEU QD 1 45 GLU QG . . 4.450 3.300 2.496 3.722 . 0 0 "[ . 1 . 2]" 1
1191 1 34 LEU QD 1 58 GLN HA . . 4.590 4.133 3.121 4.560 . 0 0 "[ . 1 . 2]" 1
1192 1 34 LEU QD 1 58 GLN QB . . 4.270 4.015 2.858 4.281 0.011 8 0 "[ . 1 . 2]" 1
1193 1 34 LEU QD 1 58 GLN HG2 . . 3.650 2.831 1.887 3.182 . 0 0 "[ . 1 . 2]" 1
1194 1 34 LEU QD 1 58 GLN HG3 . . 4.080 3.715 2.253 4.086 0.006 17 0 "[ . 1 . 2]" 1
1195 1 34 LEU QD 1 58 GLN HE21 . . 3.740 3.280 2.269 3.690 . 0 0 "[ . 1 . 2]" 1
1196 1 34 LEU QD 1 58 GLN HE22 . . 3.920 3.522 2.663 3.904 . 0 0 "[ . 1 . 2]" 1
1197 1 35 ASN HB3 1 35 ASN QD . . 3.090 2.314 2.103 2.553 . 0 0 "[ . 1 . 2]" 1
1198 1 35 ASN QD 1 37 THR H . . 3.840 3.194 2.588 3.836 . 0 0 "[ . 1 . 2]" 1
1199 1 35 ASN QD 1 37 THR HB . . 4.870 3.259 2.733 4.519 . 0 0 "[ . 1 . 2]" 1
1200 1 35 ASN QD 1 37 THR MG . . 3.710 2.728 1.943 3.363 . 0 0 "[ . 1 . 2]" 1
1201 1 36 SER QB 1 37 THR H . . 4.300 4.019 3.829 4.061 . 0 0 "[ . 1 . 2]" 1
1202 1 36 SER QB 1 42 TRP HD1 . . 4.200 3.716 3.528 4.014 . 0 0 "[ . 1 . 2]" 1
1203 1 36 SER QB 1 42 TRP HE1 . . 4.030 3.930 3.605 4.070 0.040 17 0 "[ . 1 . 2]" 1
1204 1 38 ASN H 1 38 ASN QB . . 2.940 2.331 2.234 2.456 . 0 0 "[ . 1 . 2]" 1
1205 1 38 ASN QB 1 38 ASN HD21 . . 3.040 2.387 2.189 2.584 . 0 0 "[ . 1 . 2]" 1
1206 1 38 ASN QB 1 38 ASN HD22 . . 3.540 3.350 3.282 3.414 . 0 0 "[ . 1 . 2]" 1
1207 1 38 ASN QB 1 39 LYS H . . 3.600 2.862 2.708 3.061 . 0 0 "[ . 1 . 2]" 1
1208 1 38 ASN QB 1 40 ASP H . . 4.020 3.102 2.519 3.368 . 0 0 "[ . 1 . 2]" 1
1209 1 38 ASN QB 1 41 TRP H . . 3.570 2.574 2.246 2.759 . 0 0 "[ . 1 . 2]" 1
1210 1 38 ASN QB 1 42 TRP HD1 . . 4.340 3.179 2.858 3.409 . 0 0 "[ . 1 . 2]" 1
1211 1 46 VAL HB 1 47 LYS QB . . 5.340 4.792 4.219 5.346 0.006 2 0 "[ . 1 . 2]" 1
1212 1 46 VAL QG 1 47 LYS QG . . 4.760 4.427 4.186 4.791 0.031 11 0 "[ . 1 . 2]" 1
1213 1 47 LYS H 1 47 LYS QB . . 3.120 2.480 2.236 3.003 . 0 0 "[ . 1 . 2]" 1
1214 1 47 LYS H 1 47 LYS QG . . 3.750 2.963 1.969 3.844 0.094 11 0 "[ . 1 . 2]" 1
1215 1 47 LYS HA 1 47 LYS QG . . 3.620 2.565 2.132 3.395 . 0 0 "[ . 1 . 2]" 1
1216 1 47 LYS HA 1 56 GLU QG . . 4.050 2.784 1.956 3.967 . 0 0 "[ . 1 . 2]" 1
1217 1 47 LYS QB 1 48 ALA H . . 3.850 2.856 2.660 3.630 . 0 0 "[ . 1 . 2]" 1
1218 1 47 LYS QB 1 54 THR MG . . 4.210 4.107 3.583 4.215 0.005 11 0 "[ . 1 . 2]" 1
1219 1 47 LYS QE 1 47 LYS QG . . 3.320 2.333 2.078 2.827 . 0 0 "[ . 1 . 2]" 1
1220 1 47 LYS QG 1 48 ALA H . . 4.390 3.768 2.326 4.255 . 0 0 "[ . 1 . 2]" 1
1221 1 47 LYS QG 1 56 GLU QG . . 4.460 2.654 1.897 4.453 . 0 0 "[ . 1 . 2]" 1
1222 1 47 LYS QE 1 56 GLU QG . . 4.030 3.477 2.264 4.029 . 0 0 "[ . 1 . 2]" 1
1223 1 48 ALA MB 1 55 TYR QB . . 5.340 4.471 4.153 4.917 . 0 0 "[ . 1 . 2]" 1
1224 1 49 THR MG 1 52 GLY QA . . 4.520 3.379 2.964 3.720 . 0 0 "[ . 1 . 2]" 1
1225 1 50 ALA MB 1 51 ASN QB . . 3.980 3.751 3.508 3.942 . 0 0 "[ . 1 . 2]" 1
1226 1 51 ASN QB 1 53 LYS H . . 4.690 3.615 3.068 4.718 0.028 18 0 "[ . 1 . 2]" 1
1227 1 51 ASN QD 1 53 LYS H . . 4.450 4.312 3.867 4.464 0.014 18 0 "[ . 1 . 2]" 1
1228 1 52 GLY QA 1 53 LYS QD . . 4.980 4.527 3.410 4.963 . 0 0 "[ . 1 . 2]" 1
1229 1 55 TYR H 1 55 TYR QB . . 3.480 3.006 2.885 3.205 . 0 0 "[ . 1 . 2]" 1
1230 1 55 TYR QB 1 56 GLU H . . 3.060 2.689 1.989 3.059 . 0 0 "[ . 1 . 2]" 1
1231 1 56 GLU H 1 56 GLU QG . . 3.440 2.854 1.939 3.389 . 0 0 "[ . 1 . 2]" 1
1232 1 56 GLU HA 1 56 GLU QG . . 3.390 2.479 2.134 3.432 0.042 19 0 "[ . 1 . 2]" 1
1233 1 56 GLU QG 1 57 ARG H . . 4.420 4.000 3.480 4.423 0.003 19 0 "[ . 1 . 2]" 1
1234 1 67 LYS HA 1 67 LYS QG . . 3.630 2.694 2.510 3.322 . 0 0 "[ . 1 . 2]" 1
1235 1 67 LYS QG 1 68 LYS H . . 3.690 2.618 2.227 3.579 . 0 0 "[ . 1 . 2]" 1
1236 1 67 LYS QG 1 68 LYS HA . . 4.440 4.138 3.898 4.334 . 0 0 "[ . 1 . 2]" 1
1237 1 67 LYS QG 1 70 ASP H . . 5.340 5.032 4.162 5.444 0.104 14 0 "[ . 1 . 2]" 1
1238 1 68 LYS H 1 68 LYS QB . . 2.990 2.329 2.115 2.551 . 0 0 "[ . 1 . 2]" 1
1239 1 68 LYS H 1 69 LEU QD . . 5.440 4.782 3.989 5.451 0.011 13 0 "[ . 1 . 2]" 1
1240 1 68 LYS HA 1 69 LEU QD . . 4.350 3.362 2.687 4.163 . 0 0 "[ . 1 . 2]" 1
1241 1 68 LYS QB 1 69 LEU H . . 4.240 2.961 2.534 3.815 . 0 0 "[ . 1 . 2]" 1
1242 1 68 LYS QB 1 70 ASP H . . 4.530 3.055 2.111 3.648 . 0 0 "[ . 1 . 2]" 1
1243 1 68 LYS QG 1 69 LEU QD . . 4.590 4.350 3.511 4.632 0.042 17 0 "[ . 1 . 2]" 1
1244 1 69 LEU H 1 69 LEU QB . . 3.170 2.429 2.164 2.721 . 0 0 "[ . 1 . 2]" 1
1245 1 69 LEU H 1 69 LEU QD . . 3.710 2.652 1.852 3.549 . 0 0 "[ . 1 . 2]" 1
1246 1 69 LEU HA 1 69 LEU QD . . 3.300 2.409 1.919 3.300 0.000 10 0 "[ . 1 . 2]" 1
1247 1 69 LEU QB 1 69 LEU QD . . 2.530 1.922 1.759 2.030 . 0 0 "[ . 1 . 2]" 1
1248 1 69 LEU QB 1 70 ASP H . . 4.060 3.801 3.274 3.936 . 0 0 "[ . 1 . 2]" 1
1249 1 69 LEU QD 1 70 ASP H . . 4.450 4.035 2.628 4.487 0.037 16 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 44
_Distance_constraint_stats_list.Viol_count 840
_Distance_constraint_stats_list.Viol_total 2570.655
_Distance_constraint_stats_list.Viol_max 0.349
_Distance_constraint_stats_list.Viol_rms 0.0900
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1461
_Distance_constraint_stats_list.Viol_average_violations_only 0.1530
_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 7 GLU 4.113 0.231 12 0 "[ . 1 . 2]"
1 8 LEU 7.999 0.295 10 0 "[ . 1 . 2]"
1 9 VAL 13.353 0.324 13 0 "[ . 1 . 2]"
1 10 LEU 13.035 0.349 9 0 "[ . 1 . 2]"
1 11 ALA 6.340 0.286 11 0 "[ . 1 . 2]"
1 15 TYR 7.746 0.287 15 0 "[ . 1 . 2]"
1 25 MET 7.746 0.287 15 0 "[ . 1 . 2]"
1 26 LYS 5.931 0.266 19 0 "[ . 1 . 2]"
1 28 GLY 4.801 0.286 11 0 "[ . 1 . 2]"
1 29 ASP 7.470 0.266 19 0 "[ . 1 . 2]"
1 31 LEU 13.353 0.324 13 0 "[ . 1 . 2]"
1 32 THR 9.525 0.319 19 0 "[ . 1 . 2]"
1 33 LEU 4.113 0.231 12 0 "[ . 1 . 2]"
1 40 ASP 4.971 0.237 14 0 "[ . 1 . 2]"
1 42 TRP 14.848 0.267 3 0 "[ . 1 . 2]"
1 44 VAL 9.450 0.278 19 0 "[ . 1 . 2]"
1 45 GLU 9.525 0.319 19 0 "[ . 1 . 2]"
1 46 VAL 4.352 0.223 9 0 "[ . 1 . 2]"
1 48 ALA 9.564 0.268 4 0 "[ . 1 . 2]"
1 50 ALA 7.673 0.253 18 0 "[ . 1 . 2]"
1 53 LYS 7.673 0.253 18 0 "[ . 1 . 2]"
1 55 TYR 9.564 0.268 4 0 "[ . 1 . 2]"
1 57 ARG 4.352 0.223 9 0 "[ . 1 . 2]"
1 59 GLY 9.450 0.278 19 0 "[ . 1 . 2]"
1 61 VAL 14.848 0.267 3 0 "[ . 1 . 2]"
1 62 PRO 9.632 0.266 10 0 "[ . 1 . 2]"
1 63 ALA 4.971 0.237 14 0 "[ . 1 . 2]"
1 65 TYR 9.632 0.266 10 0 "[ . 1 . 2]"
1 67 LYS 13.035 0.349 9 0 "[ . 1 . 2]"
1 69 LEU 7.999 0.295 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 50 ALA O 1 53 LYS H . . 1.800 1.923 1.861 2.001 0.201 18 0 "[ . 1 . 2]" 2
2 1 50 ALA O 1 53 LYS N . . 2.700 2.770 2.675 2.848 0.148 8 0 "[ . 1 . 2]" 2
3 1 50 ALA H 1 53 LYS O . . 1.800 1.882 1.798 2.006 0.206 18 0 "[ . 1 . 2]" 2
4 1 50 ALA N 1 53 LYS O . . 2.700 2.807 2.750 2.953 0.253 18 0 "[ . 1 . 2]" 2
5 1 48 ALA O 1 55 TYR H . . 1.800 1.910 1.815 1.988 0.188 19 0 "[ . 1 . 2]" 2
6 1 48 ALA O 1 55 TYR N . . 2.700 2.840 2.747 2.956 0.256 1 0 "[ . 1 . 2]" 2
7 1 48 ALA H 1 55 TYR O . . 1.800 1.942 1.801 2.005 0.205 11 0 "[ . 1 . 2]" 2
8 1 48 ALA N 1 55 TYR O . . 2.700 2.786 2.748 2.968 0.268 4 0 "[ . 1 . 2]" 2
9 1 46 VAL H 1 57 ARG O . . 1.800 1.911 1.795 2.023 0.223 9 0 "[ . 1 . 2]" 2
10 1 46 VAL N 1 57 ARG O . . 2.700 2.807 2.744 2.910 0.210 16 0 "[ . 1 . 2]" 2
11 1 44 VAL H 1 59 GLY O . . 1.800 1.954 1.798 2.024 0.224 4 0 "[ . 1 . 2]" 2
12 1 44 VAL N 1 59 GLY O . . 2.700 2.813 2.736 2.880 0.180 6 0 "[ . 1 . 2]" 2
13 1 42 TRP O 1 61 VAL H . . 1.800 1.961 1.840 2.016 0.216 13 0 "[ . 1 . 2]" 2
14 1 42 TRP O 1 61 VAL N . . 2.700 2.868 2.792 2.937 0.237 20 0 "[ . 1 . 2]" 2
15 1 42 TRP H 1 61 VAL O . . 1.800 1.990 1.870 2.043 0.243 10 0 "[ . 1 . 2]" 2
16 1 42 TRP N 1 61 VAL O . . 2.700 2.923 2.786 2.967 0.267 3 0 "[ . 1 . 2]" 2
17 1 40 ASP O 1 63 ALA H . . 1.800 1.909 1.807 1.998 0.198 9 0 "[ . 1 . 2]" 2
18 1 40 ASP O 1 63 ALA N . . 2.700 2.839 2.749 2.937 0.237 14 0 "[ . 1 . 2]" 2
19 1 7 GLU O 1 33 LEU H . . 1.800 1.937 1.791 2.031 0.231 12 0 "[ . 1 . 2]" 2
20 1 7 GLU O 1 33 LEU N . . 2.700 2.769 2.720 2.915 0.215 11 0 "[ . 1 . 2]" 2
21 1 9 VAL H 1 31 LEU O . . 1.800 1.836 1.782 1.999 0.199 14 0 "[ . 1 . 2]" 2
22 1 9 VAL N 1 31 LEU O . . 2.700 2.783 2.730 2.955 0.255 20 0 "[ . 1 . 2]" 2
23 1 9 VAL O 1 31 LEU H . . 1.800 2.052 2.012 2.098 0.298 4 0 "[ . 1 . 2]" 2
24 1 9 VAL O 1 31 LEU N . . 2.700 2.994 2.925 3.024 0.324 13 0 "[ . 1 . 2]" 2
25 1 11 ALA H 1 29 ASP O . . 1.800 1.827 1.785 1.988 0.188 8 0 "[ . 1 . 2]" 2
26 1 11 ALA N 1 29 ASP O . . 2.700 2.747 2.711 2.771 0.071 15 0 "[ . 1 . 2]" 2
27 1 11 ALA O 1 28 GLY H . . 1.800 1.901 1.787 2.015 0.215 20 0 "[ . 1 . 2]" 2
28 1 11 ALA O 1 28 GLY N . . 2.700 2.838 2.735 2.986 0.286 11 0 "[ . 1 . 2]" 2
29 1 10 LEU H 1 67 LYS O . . 1.800 1.833 1.785 1.962 0.162 20 0 "[ . 1 . 2]" 2
30 1 10 LEU N 1 67 LYS O . . 2.700 2.755 2.694 2.924 0.224 20 0 "[ . 1 . 2]" 2
31 1 10 LEU O 1 67 LYS H . . 1.800 2.061 2.009 2.097 0.297 9 0 "[ . 1 . 2]" 2
32 1 10 LEU O 1 67 LYS N . . 2.700 3.000 2.958 3.049 0.349 9 0 "[ . 1 . 2]" 2
33 1 15 TYR H 1 25 MET O . . 1.800 2.001 1.874 2.043 0.243 16 0 "[ . 1 . 2]" 2
34 1 15 TYR N 1 25 MET O . . 2.700 2.886 2.747 2.987 0.287 15 0 "[ . 1 . 2]" 2
35 1 44 VAL O 1 59 GLY H . . 1.800 1.878 1.796 2.021 0.221 10 0 "[ . 1 . 2]" 2
36 1 44 VAL O 1 59 GLY N . . 2.700 2.827 2.749 2.978 0.278 19 0 "[ . 1 . 2]" 2
37 1 62 PRO O 1 65 TYR H . . 1.800 2.036 2.019 2.054 0.254 16 0 "[ . 1 . 2]" 2
38 1 62 PRO O 1 65 TYR N . . 2.700 2.946 2.932 2.966 0.266 10 0 "[ . 1 . 2]" 2
39 1 26 LYS O 1 29 ASP H . . 1.800 2.014 1.942 2.066 0.266 19 0 "[ . 1 . 2]" 2
40 1 26 LYS O 1 29 ASP N . . 2.700 2.782 2.743 2.844 0.144 19 0 "[ . 1 . 2]" 2
41 1 32 THR O 1 45 GLU H . . 1.800 2.024 2.004 2.062 0.262 19 0 "[ . 1 . 2]" 2
42 1 32 THR O 1 45 GLU N . . 2.700 2.952 2.928 3.019 0.319 19 0 "[ . 1 . 2]" 2
43 1 8 LEU O 1 69 LEU H . . 1.800 2.028 1.999 2.095 0.295 10 0 "[ . 1 . 2]" 2
44 1 8 LEU O 1 69 LEU N . . 2.700 2.872 2.726 2.994 0.294 5 0 "[ . 1 . 2]" 2
stop_
save_
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