Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507317 | 2emi RC | 10203 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2emi
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 12
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 0.642
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0012
_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 15 CYS 0.015 0.004 13 0 "[ . 1 . 2]"
1 18 CYS 0.013 0.003 13 0 "[ . 1 . 2]"
1 31 HIS 0.006 0.001 19 0 "[ . 1 . 2]"
1 35 HIS 0.006 0.003 12 0 "[ . 1 . 2]"
2 1 ZN 0.024 0.004 13 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.377 2.319 2.394 0.004 13 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.255 2.190 2.365 . 0 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.082 1.950 2.101 0.001 19 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . . 2.100 2.040 1.916 2.100 . 0 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.324 3.248 3.476 0.002 17 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.494 3.437 3.513 0.003 13 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.880 3.658 3.960 . 0 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.551 3.347 3.721 0.001 20 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.615 3.318 3.723 0.003 12 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.368 3.319 3.527 0.001 20 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.470 3.319 3.667 0.001 6 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.520 3.009 3.601 0.001 5 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 466
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 16.085
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0068
_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 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 HIS 0.004 0.001 4 0 "[ . 1 . 2]"
1 13 TYR 0.048 0.017 19 0 "[ . 1 . 2]"
1 14 GLU 0.119 0.051 19 0 "[ . 1 . 2]"
1 15 CYS 0.014 0.005 13 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.223 0.046 19 0 "[ . 1 . 2]"
1 18 CYS 0.019 0.007 13 0 "[ . 1 . 2]"
1 19 GLY 0.007 0.005 7 0 "[ . 1 . 2]"
1 20 LYS 0.033 0.017 10 0 "[ . 1 . 2]"
1 21 ALA 0.085 0.051 19 0 "[ . 1 . 2]"
1 22 PHE 0.005 0.002 4 0 "[ . 1 . 2]"
1 23 ILE 0.013 0.009 13 0 "[ . 1 . 2]"
1 24 GLN 0.015 0.005 12 0 "[ . 1 . 2]"
1 25 LYS 0.004 0.003 19 0 "[ . 1 . 2]"
1 27 THR 0.030 0.005 12 0 "[ . 1 . 2]"
1 28 LEU 0.215 0.017 11 0 "[ . 1 . 2]"
1 29 SER 0.050 0.017 11 0 "[ . 1 . 2]"
1 30 MET 0.063 0.013 11 0 "[ . 1 . 2]"
1 31 HIS 0.069 0.015 6 0 "[ . 1 . 2]"
1 32 GLN 0.097 0.017 7 0 "[ . 1 . 2]"
1 33 ARG 0.029 0.008 19 0 "[ . 1 . 2]"
1 34 ILE 0.032 0.015 6 0 "[ . 1 . 2]"
1 35 HIS 0.008 0.007 13 0 "[ . 1 . 2]"
1 36 ARG 0.043 0.043 17 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 HIS HD2 1 13 TYR H . . 4.960 4.112 3.404 4.961 0.001 19 0 "[ . 1 . 2]" 2
2 1 13 TYR H 1 13 TYR QE . . 5.340 4.117 3.648 4.614 . 0 0 "[ . 1 . 2]" 2
3 1 12 HIS HB3 1 13 TYR H . . 4.380 3.669 3.344 4.025 . 0 0 "[ . 1 . 2]" 2
4 1 13 TYR H 1 21 ALA MB . . 5.500 5.162 4.687 5.498 . 0 0 "[ . 1 . 2]" 2
5 1 13 TYR H 1 13 TYR QD . . 3.670 2.220 1.898 3.053 . 0 0 "[ . 1 . 2]" 2
6 1 12 HIS HA 1 13 TYR H . . 3.160 2.379 2.149 2.561 . 0 0 "[ . 1 . 2]" 2
7 1 13 TYR H 1 13 TYR HB3 . . 3.980 3.632 3.575 3.797 . 0 0 "[ . 1 . 2]" 2
8 1 13 TYR H 1 13 TYR HB2 . . 3.980 2.603 2.333 2.861 . 0 0 "[ . 1 . 2]" 2
9 1 13 TYR H 1 28 LEU MD2 . . 5.170 4.924 4.705 5.171 0.001 8 0 "[ . 1 . 2]" 2
10 1 15 CYS H 1 19 GLY H . . 4.900 4.316 4.072 4.738 . 0 0 "[ . 1 . 2]" 2
11 1 17 GLU H 1 19 GLY H . . 4.100 3.485 3.140 4.044 . 0 0 "[ . 1 . 2]" 2
12 1 15 CYS HB3 1 19 GLY H . . 3.760 2.381 1.907 2.648 . 0 0 "[ . 1 . 2]" 2
13 1 15 CYS HB2 1 19 GLY H . . 4.390 4.109 3.582 4.391 0.001 14 0 "[ . 1 . 2]" 2
14 1 18 CYS HB2 1 19 GLY H . . 4.900 3.468 3.289 3.746 . 0 0 "[ . 1 . 2]" 2
15 1 27 THR HA 1 31 HIS H . . 5.480 4.936 4.516 5.221 . 0 0 "[ . 1 . 2]" 2
16 1 28 LEU HG 1 31 HIS H . . 5.040 4.727 4.530 4.871 . 0 0 "[ . 1 . 2]" 2
17 1 27 THR MG 1 31 HIS H . . 4.740 4.653 4.412 4.743 0.003 4 0 "[ . 1 . 2]" 2
18 1 31 HIS H 1 32 GLN H . . 3.550 2.475 2.399 2.655 . 0 0 "[ . 1 . 2]" 2
19 1 31 HIS H 1 33 ARG H . . 4.870 3.799 3.651 3.922 . 0 0 "[ . 1 . 2]" 2
20 1 28 LEU HA 1 31 HIS H . . 3.660 3.338 3.169 3.508 . 0 0 "[ . 1 . 2]" 2
21 1 31 HIS H 1 31 HIS HB2 . . 3.600 3.086 2.991 3.165 . 0 0 "[ . 1 . 2]" 2
22 1 38 GLU H 1 38 GLU QG . . 4.390 3.235 1.964 4.358 . 0 0 "[ . 1 . 2]" 2
23 1 29 SER H 1 30 MET H . . 3.560 2.829 2.703 2.952 . 0 0 "[ . 1 . 2]" 2
24 1 30 MET H 1 30 MET HB2 . . 4.000 3.038 2.625 3.612 . 0 0 "[ . 1 . 2]" 2
25 1 30 MET H 1 30 MET QG . . 3.100 2.100 1.885 2.361 . 0 0 "[ . 1 . 2]" 2
26 1 28 LEU HA 1 30 MET H . . 4.440 4.274 3.981 4.445 0.005 4 0 "[ . 1 . 2]" 2
27 1 12 HIS H 1 13 TYR H . . 4.680 4.480 4.343 4.637 . 0 0 "[ . 1 . 2]" 2
28 1 11 ARG QB 1 12 HIS H . . 4.630 3.211 2.112 4.044 . 0 0 "[ . 1 . 2]" 2
29 1 15 CYS H 1 22 PHE QD . . 4.840 3.689 2.896 4.493 . 0 0 "[ . 1 . 2]" 2
30 1 14 GLU HA 1 15 CYS H . . 3.090 2.229 2.150 2.340 . 0 0 "[ . 1 . 2]" 2
31 1 15 CYS H 1 15 CYS HB3 . . 3.410 2.611 2.497 2.824 . 0 0 "[ . 1 . 2]" 2
32 1 15 CYS H 1 15 CYS HB2 . . 3.490 2.504 2.265 2.725 . 0 0 "[ . 1 . 2]" 2
33 1 14 GLU QB 1 15 CYS H . . 3.920 3.012 2.596 3.674 . 0 0 "[ . 1 . 2]" 2
34 1 15 CYS H 1 20 LYS H . . 4.200 3.051 2.433 3.932 . 0 0 "[ . 1 . 2]" 2
35 1 15 CYS H 1 22 PHE QE . . 4.450 3.125 2.152 3.861 . 0 0 "[ . 1 . 2]" 2
36 1 14 GLU QG 1 15 CYS H . . 4.190 3.507 2.340 4.191 0.001 16 0 "[ . 1 . 2]" 2
37 1 23 ILE H 1 23 ILE HG12 . . 4.710 4.553 4.280 4.719 0.009 13 0 "[ . 1 . 2]" 2
38 1 24 GLN HB2 1 27 THR H . . 4.350 2.957 2.598 3.332 . 0 0 "[ . 1 . 2]" 2
39 1 33 ARG HA 1 36 ARG H . . 4.520 3.159 2.881 3.942 . 0 0 "[ . 1 . 2]" 2
40 1 35 HIS HB2 1 36 ARG H . . 4.840 2.990 2.599 3.907 . 0 0 "[ . 1 . 2]" 2
41 1 24 GLN H 1 27 THR H . . 4.770 4.474 3.803 4.751 . 0 0 "[ . 1 . 2]" 2
42 1 27 THR H 1 27 THR HB . . 3.780 2.596 2.432 2.721 . 0 0 "[ . 1 . 2]" 2
43 1 27 THR H 1 27 THR MG . . 4.360 3.765 3.749 3.775 . 0 0 "[ . 1 . 2]" 2
44 1 36 ARG H 1 36 ARG QG . . 3.960 2.537 1.875 3.853 . 0 0 "[ . 1 . 2]" 2
45 1 35 HIS HB3 1 36 ARG H . . 4.840 3.867 3.343 4.421 . 0 0 "[ . 1 . 2]" 2
46 1 15 CYS H 1 22 PHE H . . 5.010 4.809 4.418 5.012 0.002 4 0 "[ . 1 . 2]" 2
47 1 22 PHE H 1 22 PHE QD . . 3.480 2.613 2.081 3.193 . 0 0 "[ . 1 . 2]" 2
48 1 12 HIS HD2 1 22 PHE H . . 5.280 4.174 2.277 5.145 . 0 0 "[ . 1 . 2]" 2
49 1 22 PHE H 1 22 PHE QE . . 5.500 4.600 4.208 5.060 . 0 0 "[ . 1 . 2]" 2
50 1 21 ALA HA 1 22 PHE H . . 3.030 2.186 2.144 2.293 . 0 0 "[ . 1 . 2]" 2
51 1 22 PHE H 1 22 PHE HB3 . . 3.970 3.838 3.759 3.938 . 0 0 "[ . 1 . 2]" 2
52 1 22 PHE H 1 22 PHE HB2 . . 3.970 2.792 2.615 3.036 . 0 0 "[ . 1 . 2]" 2
53 1 14 GLU QG 1 22 PHE H . . 4.690 4.023 3.268 4.686 . 0 0 "[ . 1 . 2]" 2
54 1 22 PHE H 1 28 LEU HB2 . . 5.020 4.398 4.024 4.779 . 0 0 "[ . 1 . 2]" 2
55 1 35 HIS H 1 35 HIS HB3 . . 3.900 3.628 3.501 3.712 . 0 0 "[ . 1 . 2]" 2
56 1 33 ARG HG3 1 35 HIS H . . 5.050 4.535 4.390 4.674 . 0 0 "[ . 1 . 2]" 2
57 1 35 HIS H 1 36 ARG QG . . 5.000 4.062 3.500 4.983 . 0 0 "[ . 1 . 2]" 2
58 1 34 ILE HG12 1 35 HIS H . . 4.700 3.113 2.446 4.111 . 0 0 "[ . 1 . 2]" 2
59 1 35 HIS H 1 36 ARG H . . 3.790 2.359 2.043 2.681 . 0 0 "[ . 1 . 2]" 2
60 1 35 HIS H 1 35 HIS HD2 . . 4.400 3.312 2.552 3.779 . 0 0 "[ . 1 . 2]" 2
61 1 33 ARG HA 1 35 HIS H . . 4.450 3.691 3.430 3.885 . 0 0 "[ . 1 . 2]" 2
62 1 35 HIS H 1 35 HIS HB2 . . 3.900 2.442 2.209 2.599 . 0 0 "[ . 1 . 2]" 2
63 1 32 GLN QG 1 33 ARG H . . 4.530 4.381 4.107 4.497 . 0 0 "[ . 1 . 2]" 2
64 1 33 ARG H 1 34 ILE MG . . 4.880 4.089 3.798 4.213 . 0 0 "[ . 1 . 2]" 2
65 1 34 ILE HG13 1 35 HIS H . . 4.700 2.435 2.231 2.953 . 0 0 "[ . 1 . 2]" 2
66 1 33 ARG H 1 34 ILE H . . 3.570 2.832 2.617 2.891 . 0 0 "[ . 1 . 2]" 2
67 1 30 MET HA 1 33 ARG H . . 4.650 4.128 3.951 4.253 . 0 0 "[ . 1 . 2]" 2
68 1 33 ARG H 1 36 ARG QD . . 5.280 4.662 3.443 5.247 . 0 0 "[ . 1 . 2]" 2
69 1 32 GLN HB2 1 33 ARG H . . 4.380 3.093 3.013 3.217 . 0 0 "[ . 1 . 2]" 2
70 1 32 GLN HB3 1 33 ARG H . . 4.380 3.734 3.494 4.048 . 0 0 "[ . 1 . 2]" 2
71 1 33 ARG H 1 33 ARG HB3 . . 3.010 2.311 2.248 2.405 . 0 0 "[ . 1 . 2]" 2
72 1 33 ARG H 1 33 ARG HG2 . . 3.640 2.577 2.359 2.747 . 0 0 "[ . 1 . 2]" 2
73 1 34 ILE H 1 35 HIS H . . 3.500 2.761 2.605 2.859 . 0 0 "[ . 1 . 2]" 2
74 1 33 ARG HG3 1 34 ILE H . . 3.850 2.326 2.176 2.573 . 0 0 "[ . 1 . 2]" 2
75 1 33 ARG HG2 1 34 ILE H . . 3.420 2.190 1.981 2.492 . 0 0 "[ . 1 . 2]" 2
76 1 34 ILE H 1 34 ILE HG13 . . 4.220 3.259 2.513 3.732 . 0 0 "[ . 1 . 2]" 2
77 1 31 HIS HA 1 34 ILE H . . 4.510 3.695 3.356 3.837 . 0 0 "[ . 1 . 2]" 2
78 1 28 LEU H 1 28 LEU HG . . 4.150 4.141 4.020 4.164 0.014 20 0 "[ . 1 . 2]" 2
79 1 13 TYR HA 1 14 GLU H . . 3.060 2.185 2.139 2.315 . 0 0 "[ . 1 . 2]" 2
80 1 14 GLU H 1 14 GLU QB . . 3.430 2.437 2.176 2.971 . 0 0 "[ . 1 . 2]" 2
81 1 14 GLU H 1 14 GLU QG . . 4.000 3.300 1.898 4.020 0.020 4 0 "[ . 1 . 2]" 2
82 1 22 PHE HB3 1 28 LEU H . . 4.580 3.925 3.530 4.553 . 0 0 "[ . 1 . 2]" 2
83 1 28 LEU H 1 30 MET H . . 4.460 4.087 3.803 4.311 . 0 0 "[ . 1 . 2]" 2
84 1 27 THR HB 1 28 LEU H . . 3.720 2.729 2.524 3.009 . 0 0 "[ . 1 . 2]" 2
85 1 22 PHE HB2 1 28 LEU H . . 4.580 3.727 3.451 3.984 . 0 0 "[ . 1 . 2]" 2
86 1 28 LEU H 1 28 LEU HB3 . . 3.400 2.177 2.158 2.198 . 0 0 "[ . 1 . 2]" 2
87 1 28 LEU H 1 28 LEU HB2 . . 3.510 2.938 2.899 3.081 . 0 0 "[ . 1 . 2]" 2
88 1 28 LEU H 1 28 LEU MD2 . . 4.460 4.089 4.046 4.177 . 0 0 "[ . 1 . 2]" 2
89 1 28 LEU H 1 28 LEU MD1 . . 4.850 4.297 4.271 4.324 . 0 0 "[ . 1 . 2]" 2
90 1 13 TYR HB3 1 14 GLU H . . 4.490 3.631 2.956 4.137 . 0 0 "[ . 1 . 2]" 2
91 1 13 TYR HB2 1 14 GLU H . . 4.490 4.269 3.893 4.507 0.017 19 0 "[ . 1 . 2]" 2
92 1 14 GLU H 1 15 CYS H . . 4.820 4.498 4.298 4.566 . 0 0 "[ . 1 . 2]" 2
93 1 14 GLU H 1 28 LEU MD2 . . 4.140 3.867 3.440 4.142 0.002 4 0 "[ . 1 . 2]" 2
94 1 20 LYS HA 1 21 ALA H . . 2.850 2.368 2.166 2.640 . 0 0 "[ . 1 . 2]" 2
95 1 20 LYS HB3 1 21 ALA H . . 4.630 3.138 1.952 3.951 . 0 0 "[ . 1 . 2]" 2
96 1 20 LYS HG3 1 21 ALA H . . 4.980 3.411 1.927 4.812 . 0 0 "[ . 1 . 2]" 2
97 1 20 LYS HB2 1 21 ALA H . . 4.630 3.973 3.263 4.355 . 0 0 "[ . 1 . 2]" 2
98 1 39 LYS H 1 39 LYS QD . . 4.680 3.906 2.061 4.680 . 0 0 "[ . 1 . 2]" 2
99 1 39 LYS H 1 39 LYS QG . . 4.710 3.123 2.017 4.086 . 0 0 "[ . 1 . 2]" 2
100 1 23 ILE H 1 24 GLN H . . 4.040 2.458 2.076 2.764 . 0 0 "[ . 1 . 2]" 2
101 1 24 GLN H 1 27 THR HB . . 4.200 3.094 2.458 3.601 . 0 0 "[ . 1 . 2]" 2
102 1 22 PHE HB3 1 24 GLN H . . 4.150 3.078 2.775 3.412 . 0 0 "[ . 1 . 2]" 2
103 1 22 PHE HB2 1 24 GLN H . . 4.150 3.788 3.312 4.142 . 0 0 "[ . 1 . 2]" 2
104 1 24 GLN H 1 24 GLN QG . . 3.780 2.992 2.538 3.352 . 0 0 "[ . 1 . 2]" 2
105 1 23 ILE HG13 1 24 GLN H . . 4.920 4.170 3.611 4.893 . 0 0 "[ . 1 . 2]" 2
106 1 23 ILE HG12 1 24 GLN H . . 4.920 4.206 3.502 4.861 . 0 0 "[ . 1 . 2]" 2
107 1 23 ILE MG 1 24 GLN H . . 4.230 1.968 1.844 2.298 . 0 0 "[ . 1 . 2]" 2
108 1 15 CYS HB2 1 17 GLU H . . 4.890 4.480 4.282 4.729 . 0 0 "[ . 1 . 2]" 2
109 1 15 CYS HA 1 17 GLU H . . 4.580 3.802 3.455 4.077 . 0 0 "[ . 1 . 2]" 2
110 1 16 SER QB 1 17 GLU H . . 4.410 3.608 2.815 4.036 . 0 0 "[ . 1 . 2]" 2
111 1 15 CYS HB3 1 17 GLU H . . 4.480 3.436 3.157 4.117 . 0 0 "[ . 1 . 2]" 2
112 1 17 GLU H 1 17 GLU HG3 . . 4.080 3.865 3.166 4.081 0.001 15 0 "[ . 1 . 2]" 2
113 1 17 GLU H 1 17 GLU HG2 . . 4.080 3.078 2.522 3.992 . 0 0 "[ . 1 . 2]" 2
114 1 17 GLU H 1 17 GLU HB2 . . 3.770 2.562 2.287 2.706 . 0 0 "[ . 1 . 2]" 2
115 1 32 GLN H 1 34 ILE H . . 4.850 4.681 4.556 4.752 . 0 0 "[ . 1 . 2]" 2
116 1 32 GLN H 1 33 ARG H . . 3.600 2.869 2.806 2.916 . 0 0 "[ . 1 . 2]" 2
117 1 31 HIS HD2 1 32 GLN H . . 4.310 2.685 2.416 3.499 . 0 0 "[ . 1 . 2]" 2
118 1 28 LEU HA 1 32 GLN H . . 4.330 3.983 3.823 4.132 . 0 0 "[ . 1 . 2]" 2
119 1 32 GLN H 1 32 GLN QG . . 3.320 2.488 2.155 2.700 . 0 0 "[ . 1 . 2]" 2
120 1 32 GLN H 1 32 GLN HB2 . . 3.770 2.395 2.267 2.671 . 0 0 "[ . 1 . 2]" 2
121 1 32 GLN H 1 32 GLN HB3 . . 3.770 3.579 3.542 3.610 . 0 0 "[ . 1 . 2]" 2
122 1 28 LEU MD1 1 32 GLN H . . 4.290 2.979 2.790 3.108 . 0 0 "[ . 1 . 2]" 2
123 1 32 GLN H 1 33 ARG HB3 . . 5.270 4.971 4.817 5.143 . 0 0 "[ . 1 . 2]" 2
124 1 19 GLY H 1 20 LYS H . . 3.720 2.044 1.817 2.387 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS HB3 1 20 LYS H . . 3.550 2.078 1.899 2.325 . 0 0 "[ . 1 . 2]" 2
126 1 20 LYS H 1 20 LYS HB3 . . 3.680 3.056 2.687 3.660 . 0 0 "[ . 1 . 2]" 2
127 1 20 LYS H 1 20 LYS HB2 . . 3.680 2.470 2.203 2.878 . 0 0 "[ . 1 . 2]" 2
128 1 28 LEU HB2 1 32 GLN H . . 5.500 5.500 5.468 5.517 0.017 7 0 "[ . 1 . 2]" 2
129 1 17 GLU H 1 18 CYS H . . 3.270 2.276 1.951 2.916 . 0 0 "[ . 1 . 2]" 2
130 1 15 CYS HB3 1 18 CYS H . . 3.760 3.121 2.834 3.428 . 0 0 "[ . 1 . 2]" 2
131 1 18 CYS H 1 18 CYS HB2 . . 4.040 3.691 3.618 3.772 . 0 0 "[ . 1 . 2]" 2
132 1 17 GLU HG2 1 18 CYS H . . 4.810 4.383 4.125 4.770 . 0 0 "[ . 1 . 2]" 2
133 1 17 GLU HB3 1 18 CYS H . . 3.760 3.352 2.864 3.724 . 0 0 "[ . 1 . 2]" 2
134 1 17 GLU HB2 1 18 CYS H . . 3.760 2.395 2.019 2.589 . 0 0 "[ . 1 . 2]" 2
135 1 28 LEU H 1 29 SER H . . 3.510 2.647 2.474 2.773 . 0 0 "[ . 1 . 2]" 2
136 1 28 LEU HB3 1 29 SER H . . 3.550 2.630 2.421 2.736 . 0 0 "[ . 1 . 2]" 2
137 1 11 ARG H 1 11 ARG QG . . 4.560 3.107 1.904 4.211 . 0 0 "[ . 1 . 2]" 2
138 1 28 LEU HG 1 29 SER H . . 4.770 2.879 2.576 3.067 . 0 0 "[ . 1 . 2]" 2
139 1 28 LEU HB2 1 29 SER H . . 4.020 3.960 3.802 4.037 0.017 11 0 "[ . 1 . 2]" 2
140 1 28 LEU MD2 1 29 SER H . . 4.260 3.790 3.535 3.951 . 0 0 "[ . 1 . 2]" 2
141 1 28 LEU MD1 1 29 SER H . . 4.630 4.046 3.850 4.176 . 0 0 "[ . 1 . 2]" 2
142 1 30 MET H 1 31 HIS H . . 3.470 2.592 2.418 2.817 . 0 0 "[ . 1 . 2]" 2
143 1 23 ILE H 1 23 ILE HG13 . . 4.710 4.453 4.362 4.673 . 0 0 "[ . 1 . 2]" 2
144 1 18 CYS H 1 19 GLY H . . 3.020 2.192 1.906 2.394 . 0 0 "[ . 1 . 2]" 2
145 1 18 CYS HA 1 35 HIS HE1 . . 4.260 3.761 3.182 4.201 . 0 0 "[ . 1 . 2]" 2
146 1 18 CYS HB3 1 35 HIS HE1 . . 3.870 2.072 1.996 2.191 . 0 0 "[ . 1 . 2]" 2
147 1 18 CYS HB2 1 35 HIS HE1 . . 3.870 3.784 3.589 3.877 0.007 13 0 "[ . 1 . 2]" 2
148 1 20 LYS HD3 1 31 HIS HE1 . . 4.560 3.699 2.822 4.559 . 0 0 "[ . 1 . 2]" 2
149 1 12 HIS HE1 1 21 ALA MB . . 4.860 3.965 2.600 4.854 . 0 0 "[ . 1 . 2]" 2
150 1 13 TYR QD 1 28 LEU HB2 . . 5.340 5.051 4.437 5.341 0.001 16 0 "[ . 1 . 2]" 2
151 1 12 HIS HA 1 13 TYR QD . . 3.980 3.567 3.023 3.981 0.001 4 0 "[ . 1 . 2]" 2
152 1 13 TYR HA 1 13 TYR QD . . 4.120 3.011 2.470 3.185 . 0 0 "[ . 1 . 2]" 2
153 1 13 TYR QD 1 25 LYS QE . . 4.390 3.189 1.986 4.076 . 0 0 "[ . 1 . 2]" 2
154 1 13 TYR QD 1 28 LEU HB3 . . 4.880 4.705 4.101 4.884 0.004 5 0 "[ . 1 . 2]" 2
155 1 21 ALA HA 1 22 PHE QD . . 3.950 3.289 2.661 3.775 . 0 0 "[ . 1 . 2]" 2
156 1 22 PHE QD 1 27 THR HB . . 4.060 3.615 2.964 4.049 . 0 0 "[ . 1 . 2]" 2
157 1 22 PHE QD 1 28 LEU HA . . 3.960 3.247 3.032 3.520 . 0 0 "[ . 1 . 2]" 2
158 1 15 CYS HB2 1 22 PHE QD . . 4.720 4.026 3.693 4.455 . 0 0 "[ . 1 . 2]" 2
159 1 22 PHE QD 1 28 LEU HB3 . . 4.480 3.992 3.677 4.377 . 0 0 "[ . 1 . 2]" 2
160 1 22 PHE QD 1 28 LEU HG . . 5.500 4.828 4.481 5.215 . 0 0 "[ . 1 . 2]" 2
161 1 22 PHE QD 1 28 LEU MD1 . . 3.410 2.624 2.061 3.114 . 0 0 "[ . 1 . 2]" 2
162 1 20 LYS H 1 22 PHE QE . . 4.690 4.184 3.629 4.671 . 0 0 "[ . 1 . 2]" 2
163 1 21 ALA H 1 22 PHE QE . . 5.230 4.457 3.856 5.177 . 0 0 "[ . 1 . 2]" 2
164 1 22 PHE QE 1 31 HIS HD2 . . 3.780 3.385 2.644 3.734 . 0 0 "[ . 1 . 2]" 2
165 1 15 CYS HB3 1 22 PHE QE . . 4.000 3.521 2.950 3.993 . 0 0 "[ . 1 . 2]" 2
166 1 22 PHE QE 1 28 LEU HA . . 4.390 3.333 2.977 3.598 . 0 0 "[ . 1 . 2]" 2
167 1 15 CYS HB2 1 22 PHE QE . . 3.680 2.179 2.002 2.740 . 0 0 "[ . 1 . 2]" 2
168 1 20 LYS HB3 1 22 PHE QE . . 4.030 2.476 2.072 2.993 . 0 0 "[ . 1 . 2]" 2
169 1 20 LYS HB2 1 22 PHE QE . . 4.030 3.471 2.335 4.031 0.001 13 0 "[ . 1 . 2]" 2
170 1 20 LYS HB2 1 22 PHE HZ . . 4.440 3.572 2.457 4.347 . 0 0 "[ . 1 . 2]" 2
171 1 22 PHE HZ 1 31 HIS HB3 . . 4.570 3.103 2.369 3.756 . 0 0 "[ . 1 . 2]" 2
172 1 22 PHE HZ 1 31 HIS HB2 . . 4.570 3.172 2.545 3.725 . 0 0 "[ . 1 . 2]" 2
173 1 20 LYS HB3 1 22 PHE HZ . . 4.440 2.742 2.153 3.577 . 0 0 "[ . 1 . 2]" 2
174 1 31 HIS HD2 1 35 HIS HD2 . . 4.440 3.615 3.301 4.092 . 0 0 "[ . 1 . 2]" 2
175 1 32 GLN QG 1 35 HIS HD2 . . 4.210 3.161 2.560 3.859 . 0 0 "[ . 1 . 2]" 2
176 1 17 GLU HB2 1 35 HIS HD2 . . 4.740 2.958 2.366 3.867 . 0 0 "[ . 1 . 2]" 2
177 1 31 HIS H 1 31 HIS HD2 . . 4.670 4.386 4.303 4.678 0.008 6 0 "[ . 1 . 2]" 2
178 1 28 LEU HA 1 31 HIS HD2 . . 4.490 4.238 3.833 4.491 0.001 19 0 "[ . 1 . 2]" 2
179 1 12 HIS HA 1 12 HIS HD2 . . 4.470 4.263 4.036 4.470 0.000 15 0 "[ . 1 . 2]" 2
180 1 12 HIS HD2 1 14 GLU QG . . 4.830 2.669 1.911 4.749 . 0 0 "[ . 1 . 2]" 2
181 1 12 HIS HD2 1 14 GLU QB . . 4.860 3.728 2.245 4.786 . 0 0 "[ . 1 . 2]" 2
182 1 12 HIS HA 1 13 TYR QE . . 5.130 4.418 3.985 4.988 . 0 0 "[ . 1 . 2]" 2
183 1 13 TYR HA 1 13 TYR QE . . 5.500 4.762 4.626 4.886 . 0 0 "[ . 1 . 2]" 2
184 1 13 TYR QE 1 25 LYS QE . . 4.260 3.650 2.476 4.263 0.003 19 0 "[ . 1 . 2]" 2
185 1 13 TYR QE 1 25 LYS HA . . 4.580 4.056 3.592 4.522 . 0 0 "[ . 1 . 2]" 2
186 1 15 CYS H 1 28 LEU MD1 . . 4.110 3.196 2.556 3.716 . 0 0 "[ . 1 . 2]" 2
187 1 17 GLU H 1 28 LEU MD1 . . 5.500 5.076 4.713 5.346 . 0 0 "[ . 1 . 2]" 2
188 1 22 PHE H 1 28 LEU MD1 . . 5.500 4.779 4.364 5.332 . 0 0 "[ . 1 . 2]" 2
189 1 28 LEU MD1 1 31 HIS H . . 4.410 3.979 3.770 4.227 . 0 0 "[ . 1 . 2]" 2
190 1 28 LEU MD1 1 32 GLN HE22 . . 4.430 3.846 3.171 4.280 . 0 0 "[ . 1 . 2]" 2
191 1 28 LEU MD1 1 32 GLN HE21 . . 4.430 2.990 1.887 3.789 . 0 0 "[ . 1 . 2]" 2
192 1 28 LEU MD1 1 31 HIS HD2 . . 3.460 2.482 2.273 2.720 . 0 0 "[ . 1 . 2]" 2
193 1 22 PHE QE 1 28 LEU MD1 . . 3.600 2.265 1.843 2.829 . 0 0 "[ . 1 . 2]" 2
194 1 14 GLU HA 1 28 LEU MD1 . . 4.390 3.923 3.376 4.332 . 0 0 "[ . 1 . 2]" 2
195 1 15 CYS HA 1 28 LEU MD1 . . 3.440 2.356 2.087 2.893 . 0 0 "[ . 1 . 2]" 2
196 1 28 LEU HA 1 28 LEU MD1 . . 3.150 2.395 2.291 2.580 . 0 0 "[ . 1 . 2]" 2
197 1 28 LEU MD1 1 32 GLN QG . . 3.300 1.868 1.782 1.956 . 0 0 "[ . 1 . 2]" 2
198 1 28 LEU HB2 1 28 LEU MD1 . . 3.500 2.319 2.131 2.390 . 0 0 "[ . 1 . 2]" 2
199 1 21 ALA MB 1 22 PHE H . . 3.530 2.989 2.619 3.215 . 0 0 "[ . 1 . 2]" 2
200 1 21 ALA H 1 21 ALA MB . . 3.130 2.446 2.188 2.661 . 0 0 "[ . 1 . 2]" 2
201 1 21 ALA MB 1 22 PHE QD . . 4.870 4.496 4.038 4.816 . 0 0 "[ . 1 . 2]" 2
202 1 12 HIS HD2 1 21 ALA MB . . 4.440 3.102 1.972 4.312 . 0 0 "[ . 1 . 2]" 2
203 1 20 LYS HA 1 21 ALA MB . . 4.120 3.867 3.767 3.973 . 0 0 "[ . 1 . 2]" 2
204 1 14 GLU QG 1 21 ALA MB . . 3.920 2.368 1.935 3.927 0.007 16 0 "[ . 1 . 2]" 2
205 1 14 GLU QB 1 21 ALA MB . . 3.900 3.662 2.187 3.951 0.051 19 0 "[ . 1 . 2]" 2
206 1 22 PHE HB3 1 27 THR HB . . 4.380 2.654 2.205 3.194 . 0 0 "[ . 1 . 2]" 2
207 1 24 GLN HB2 1 27 THR HB . . 4.800 2.954 2.504 3.345 . 0 0 "[ . 1 . 2]" 2
208 1 22 PHE HB2 1 27 THR HB . . 4.380 3.638 2.791 4.292 . 0 0 "[ . 1 . 2]" 2
209 1 36 ARG H 1 36 ARG QD . . 4.720 3.503 1.881 4.524 . 0 0 "[ . 1 . 2]" 2
210 1 33 ARG HA 1 36 ARG QD . . 3.760 2.758 2.039 3.510 . 0 0 "[ . 1 . 2]" 2
211 1 36 ARG HA 1 36 ARG QD . . 4.360 3.831 2.200 4.403 0.043 17 0 "[ . 1 . 2]" 2
212 1 11 ARG HA 1 11 ARG QD . . 4.290 3.733 2.084 4.276 . 0 0 "[ . 1 . 2]" 2
213 1 11 ARG QB 1 11 ARG QD . . 3.380 2.202 2.045 2.749 . 0 0 "[ . 1 . 2]" 2
214 1 27 THR HA 1 30 MET HB3 . . 4.870 4.509 3.926 4.873 0.003 5 0 "[ . 1 . 2]" 2
215 1 27 THR HA 1 30 MET H . . 4.100 3.798 3.642 4.038 . 0 0 "[ . 1 . 2]" 2
216 1 27 THR HA 1 30 MET QG . . 3.500 2.418 1.999 2.868 . 0 0 "[ . 1 . 2]" 2
217 1 23 ILE H 1 23 ILE MG . . 4.610 1.929 1.875 2.054 . 0 0 "[ . 1 . 2]" 2
218 1 23 ILE HA 1 23 ILE MG . . 3.400 3.196 3.183 3.202 . 0 0 "[ . 1 . 2]" 2
219 1 23 ILE MG 1 24 GLN QG . . 3.600 2.156 1.934 2.716 . 0 0 "[ . 1 . 2]" 2
220 1 31 HIS HE1 1 34 ILE MG . . 4.450 4.187 3.798 4.457 0.007 6 0 "[ . 1 . 2]" 2
221 1 34 ILE H 1 34 ILE MG . . 3.430 1.947 1.857 2.097 . 0 0 "[ . 1 . 2]" 2
222 1 34 ILE MG 1 35 HIS H . . 4.150 3.906 3.759 3.984 . 0 0 "[ . 1 . 2]" 2
223 1 31 HIS HA 1 34 ILE MG . . 4.210 3.074 2.634 3.329 . 0 0 "[ . 1 . 2]" 2
224 1 34 ILE HA 1 34 ILE MG . . 3.240 2.435 2.345 2.528 . 0 0 "[ . 1 . 2]" 2
225 1 33 ARG HG3 1 34 ILE MG . . 4.240 2.430 2.273 2.699 . 0 0 "[ . 1 . 2]" 2
226 1 33 ARG HG2 1 34 ILE MG . . 3.500 2.549 2.118 2.784 . 0 0 "[ . 1 . 2]" 2
227 1 13 TYR HB2 1 28 LEU MD2 . . 3.770 2.903 2.528 3.378 . 0 0 "[ . 1 . 2]" 2
228 1 28 LEU HB3 1 28 LEU MD2 . . 3.500 2.227 2.134 2.362 . 0 0 "[ . 1 . 2]" 2
229 1 22 PHE QD 1 28 LEU HB2 . . 4.410 2.369 2.000 2.936 . 0 0 "[ . 1 . 2]" 2
230 1 34 ILE HA 1 34 ILE MD . . 4.270 4.089 3.575 4.165 . 0 0 "[ . 1 . 2]" 2
231 1 13 TYR HB3 1 28 LEU MD2 . . 3.770 2.122 1.897 2.438 . 0 0 "[ . 1 . 2]" 2
232 1 13 TYR QD 1 23 ILE HA . . 4.640 4.252 3.571 4.643 0.003 16 0 "[ . 1 . 2]" 2
233 1 23 ILE HB 1 24 GLN H . . 4.120 3.946 3.755 4.101 . 0 0 "[ . 1 . 2]" 2
234 1 23 ILE HB 1 24 GLN QG . . 5.000 4.713 4.376 4.998 . 0 0 "[ . 1 . 2]" 2
235 1 29 SER HA 1 32 GLN QG . . 4.400 3.374 2.580 4.208 . 0 0 "[ . 1 . 2]" 2
236 1 29 SER HA 1 32 GLN HB2 . . 4.640 2.675 2.240 3.049 . 0 0 "[ . 1 . 2]" 2
237 1 29 SER HA 1 32 GLN HB3 . . 4.640 4.251 3.773 4.655 0.015 7 0 "[ . 1 . 2]" 2
238 1 28 LEU HG 1 29 SER HA . . 4.620 2.990 2.870 3.082 . 0 0 "[ . 1 . 2]" 2
239 1 28 LEU MD2 1 29 SER HA . . 5.380 4.313 4.195 4.406 . 0 0 "[ . 1 . 2]" 2
240 1 28 LEU MD1 1 29 SER HA . . 5.500 3.974 3.673 4.144 . 0 0 "[ . 1 . 2]" 2
241 1 33 ARG HG3 1 34 ILE HB . . 4.740 4.682 4.550 4.737 . 0 0 "[ . 1 . 2]" 2
242 1 34 ILE H 1 34 ILE HB . . 3.790 3.604 3.584 3.614 . 0 0 "[ . 1 . 2]" 2
243 1 34 ILE HB 1 35 HIS H . . 4.330 4.086 3.967 4.281 . 0 0 "[ . 1 . 2]" 2
244 1 31 HIS HE1 1 34 ILE MD . . 3.530 2.231 2.028 2.505 . 0 0 "[ . 1 . 2]" 2
245 1 34 ILE H 1 34 ILE MD . . 4.070 3.940 3.790 4.037 . 0 0 "[ . 1 . 2]" 2
246 1 31 HIS HA 1 34 ILE MD . . 4.930 4.677 4.154 4.945 0.015 6 0 "[ . 1 . 2]" 2
247 1 33 ARG HG3 1 34 ILE MD . . 5.500 5.441 5.256 5.508 0.008 19 0 "[ . 1 . 2]" 2
248 1 34 ILE HB 1 34 ILE MD . . 3.320 2.266 2.100 2.473 . 0 0 "[ . 1 . 2]" 2
249 1 23 ILE HA 1 23 ILE MD . . 3.980 2.952 1.980 3.741 . 0 0 "[ . 1 . 2]" 2
250 1 23 ILE HB 1 23 ILE MD . . 3.490 2.310 2.101 3.177 . 0 0 "[ . 1 . 2]" 2
251 1 17 GLU HG3 1 18 CYS H . . 4.810 4.600 4.260 4.815 0.005 16 0 "[ . 1 . 2]" 2
252 1 17 GLU HA 1 17 GLU HG3 . . 4.000 3.608 2.339 3.840 . 0 0 "[ . 1 . 2]" 2
253 1 32 GLN HA 1 34 ILE H . . 4.440 4.097 3.772 4.309 . 0 0 "[ . 1 . 2]" 2
254 1 32 GLN HA 1 35 HIS H . . 4.300 3.554 3.340 3.730 . 0 0 "[ . 1 . 2]" 2
255 1 31 HIS HD2 1 32 GLN HA . . 4.000 2.716 2.282 3.742 . 0 0 "[ . 1 . 2]" 2
256 1 28 LEU MD1 1 32 GLN HA . . 5.180 3.883 3.655 4.135 . 0 0 "[ . 1 . 2]" 2
257 1 32 GLN HA 1 35 HIS HD2 . . 3.470 2.048 1.995 2.432 . 0 0 "[ . 1 . 2]" 2
258 1 32 GLN HA 1 32 GLN QG . . 3.410 2.254 2.119 2.395 . 0 0 "[ . 1 . 2]" 2
259 1 25 LYS HA 1 29 SER H . . 4.880 4.449 4.119 4.801 . 0 0 "[ . 1 . 2]" 2
260 1 25 LYS HA 1 28 LEU H . . 4.140 3.569 3.375 3.851 . 0 0 "[ . 1 . 2]" 2
261 1 13 TYR QD 1 25 LYS HA . . 4.260 3.204 2.318 3.605 . 0 0 "[ . 1 . 2]" 2
262 1 25 LYS HA 1 28 LEU HB3 . . 3.650 2.925 2.536 3.250 . 0 0 "[ . 1 . 2]" 2
263 1 31 HIS HA 1 33 ARG H . . 4.740 3.636 3.551 3.854 . 0 0 "[ . 1 . 2]" 2
264 1 31 HIS HA 1 33 ARG HG2 . . 4.730 3.007 2.867 3.382 . 0 0 "[ . 1 . 2]" 2
265 1 31 HIS HD2 1 32 GLN QG . . 4.100 2.676 2.370 3.122 . 0 0 "[ . 1 . 2]" 2
266 1 28 LEU HA 1 32 GLN QG . . 5.000 4.375 3.916 4.786 . 0 0 "[ . 1 . 2]" 2
267 1 28 LEU HG 1 32 GLN QG . . 4.280 2.698 2.054 3.827 . 0 0 "[ . 1 . 2]" 2
268 1 17 GLU HA 1 17 GLU HG2 . . 4.000 2.828 2.370 3.673 . 0 0 "[ . 1 . 2]" 2
269 1 30 MET HA 1 33 ARG HB3 . . 3.820 3.557 3.283 3.821 0.001 5 0 "[ . 1 . 2]" 2
270 1 30 MET HA 1 33 ARG HG2 . . 4.560 4.340 3.990 4.562 0.002 13 0 "[ . 1 . 2]" 2
271 1 27 THR HB 1 28 LEU HA . . 4.560 4.308 4.165 4.427 . 0 0 "[ . 1 . 2]" 2
272 1 28 LEU HA 1 28 LEU HG . . 4.060 3.401 3.343 3.442 . 0 0 "[ . 1 . 2]" 2
273 1 20 LYS HA 1 20 LYS HG3 . . 3.790 2.648 2.183 3.741 . 0 0 "[ . 1 . 2]" 2
274 1 20 LYS HA 1 20 LYS HG2 . . 3.790 2.869 2.174 3.644 . 0 0 "[ . 1 . 2]" 2
275 1 24 GLN QG 1 27 THR H . . 4.690 4.631 4.258 4.695 0.005 12 0 "[ . 1 . 2]" 2
276 1 24 GLN QG 1 27 THR HB . . 4.860 4.711 4.432 4.861 0.001 19 0 "[ . 1 . 2]" 2
277 1 23 ILE HG13 1 24 GLN QG . . 4.650 3.653 2.636 4.565 . 0 0 "[ . 1 . 2]" 2
278 1 23 ILE HG12 1 24 GLN QG . . 4.650 3.251 2.152 4.515 . 0 0 "[ . 1 . 2]" 2
279 1 38 GLU HA 1 38 GLU QG . . 3.810 2.695 2.204 3.434 . 0 0 "[ . 1 . 2]" 2
280 1 18 CYS HB3 1 19 GLY H . . 4.900 3.884 3.852 3.994 . 0 0 "[ . 1 . 2]" 2
281 1 18 CYS H 1 18 CYS HB3 . . 4.040 3.059 2.828 3.225 . 0 0 "[ . 1 . 2]" 2
282 1 30 MET QG 1 31 HIS H . . 3.970 3.367 2.291 3.983 0.013 11 0 "[ . 1 . 2]" 2
283 1 30 MET HA 1 30 MET QG . . 3.450 2.945 2.421 3.446 . 0 0 "[ . 1 . 2]" 2
284 1 28 LEU HA 1 30 MET QG . . 5.500 4.805 3.820 5.421 . 0 0 "[ . 1 . 2]" 2
285 1 30 MET HB3 1 31 HIS H . . 4.810 4.045 3.883 4.154 . 0 0 "[ . 1 . 2]" 2
286 1 30 MET H 1 30 MET HB3 . . 4.000 3.160 2.450 3.592 . 0 0 "[ . 1 . 2]" 2
287 1 30 MET HB2 1 31 HIS H . . 4.810 3.407 2.783 4.202 . 0 0 "[ . 1 . 2]" 2
288 1 27 THR HA 1 30 MET HB2 . . 4.870 4.018 3.348 4.874 0.004 12 0 "[ . 1 . 2]" 2
289 1 11 ARG HA 1 11 ARG QG . . 3.660 2.623 2.229 3.452 . 0 0 "[ . 1 . 2]" 2
290 1 12 HIS HB2 1 13 TYR H . . 4.380 2.676 2.099 4.290 . 0 0 "[ . 1 . 2]" 2
291 1 24 GLN HB3 1 27 THR H . . 4.350 2.969 2.616 3.649 . 0 0 "[ . 1 . 2]" 2
292 1 24 GLN HB3 1 27 THR HB . . 4.800 4.092 3.488 4.749 . 0 0 "[ . 1 . 2]" 2
293 1 33 ARG HB3 1 34 ILE H . . 4.480 3.715 3.586 3.862 . 0 0 "[ . 1 . 2]" 2
294 1 33 ARG HB2 1 34 ILE H . . 4.760 3.824 3.663 3.985 . 0 0 "[ . 1 . 2]" 2
295 1 33 ARG H 1 33 ARG HB2 . . 3.840 3.555 3.531 3.579 . 0 0 "[ . 1 . 2]" 2
296 1 15 CYS HB3 1 20 LYS HB3 . . 4.840 3.607 3.010 4.429 . 0 0 "[ . 1 . 2]" 2
297 1 15 CYS HB3 1 20 LYS HB2 . . 4.840 3.308 2.391 3.906 . 0 0 "[ . 1 . 2]" 2
298 1 15 CYS HB3 1 28 LEU MD1 . . 4.010 3.678 3.368 4.005 . 0 0 "[ . 1 . 2]" 2
299 1 15 CYS HB3 1 31 HIS HD2 . . 4.400 4.205 3.987 4.405 0.005 13 0 "[ . 1 . 2]" 2
300 1 14 GLU HA 1 15 CYS HB3 . . 5.100 4.813 4.704 4.995 . 0 0 "[ . 1 . 2]" 2
301 1 15 CYS HB2 1 20 LYS H . . 3.870 3.337 2.858 3.668 . 0 0 "[ . 1 . 2]" 2
302 1 15 CYS HB2 1 31 HIS HD2 . . 3.680 3.017 2.716 3.345 . 0 0 "[ . 1 . 2]" 2
303 1 14 GLU HA 1 15 CYS HB2 . . 4.600 4.420 4.291 4.493 . 0 0 "[ . 1 . 2]" 2
304 1 15 CYS HB2 1 20 LYS HB3 . . 4.930 3.363 2.766 4.103 . 0 0 "[ . 1 . 2]" 2
305 1 15 CYS HB2 1 20 LYS HB2 . . 4.930 3.638 2.403 4.557 . 0 0 "[ . 1 . 2]" 2
306 1 15 CYS HB2 1 28 LEU HB2 . . 5.500 4.853 4.404 5.225 . 0 0 "[ . 1 . 2]" 2
307 1 15 CYS HB2 1 28 LEU MD1 . . 3.600 2.321 2.009 2.591 . 0 0 "[ . 1 . 2]" 2
308 1 17 GLU H 1 17 GLU HB3 . . 3.770 3.720 3.550 3.816 0.046 19 0 "[ . 1 . 2]" 2
309 1 17 GLU HB3 1 35 HIS HD2 . . 4.740 3.801 3.138 4.542 . 0 0 "[ . 1 . 2]" 2
310 1 20 LYS HD2 1 22 PHE HZ . . 4.700 3.798 3.040 4.502 . 0 0 "[ . 1 . 2]" 2
311 1 20 LYS HD2 1 31 HIS HE1 . . 4.560 3.330 2.196 4.168 . 0 0 "[ . 1 . 2]" 2
312 1 20 LYS H 1 20 LYS HD2 . . 5.500 4.982 4.057 5.423 . 0 0 "[ . 1 . 2]" 2
313 1 20 LYS HD2 1 21 ALA H . . 5.500 5.027 4.317 5.507 0.007 16 0 "[ . 1 . 2]" 2
314 1 20 LYS HA 1 20 LYS HD2 . . 4.670 4.148 3.022 4.643 . 0 0 "[ . 1 . 2]" 2
315 1 20 LYS HD3 1 22 PHE HZ . . 4.700 2.588 2.005 4.127 . 0 0 "[ . 1 . 2]" 2
316 1 20 LYS H 1 20 LYS HD3 . . 5.500 5.066 4.496 5.517 0.017 10 0 "[ . 1 . 2]" 2
317 1 20 LYS HD3 1 21 ALA H . . 5.500 4.514 3.071 5.419 . 0 0 "[ . 1 . 2]" 2
318 1 39 LYS HA 1 39 LYS QD . . 4.880 3.414 2.006 4.267 . 0 0 "[ . 1 . 2]" 2
319 1 13 TYR QE 1 25 LYS HD3 . . 5.320 3.773 1.998 5.108 . 0 0 "[ . 1 . 2]" 2
320 1 20 LYS HD2 1 22 PHE QE . . 5.500 4.383 3.209 5.129 . 0 0 "[ . 1 . 2]" 2
321 1 13 TYR QE 1 25 LYS HD2 . . 5.320 3.809 2.091 5.063 . 0 0 "[ . 1 . 2]" 2
322 1 20 LYS HD3 1 22 PHE QE . . 5.500 3.278 2.560 4.173 . 0 0 "[ . 1 . 2]" 2
323 1 20 LYS HA 1 20 LYS HD3 . . 4.670 4.247 2.508 4.640 . 0 0 "[ . 1 . 2]" 2
324 1 22 PHE QE 1 31 HIS HB2 . . 4.640 3.144 2.381 3.818 . 0 0 "[ . 1 . 2]" 2
325 1 28 LEU MD1 1 31 HIS HB2 . . 4.660 4.443 4.237 4.658 . 0 0 "[ . 1 . 2]" 2
326 1 31 HIS HB3 1 32 GLN H . . 4.320 2.605 2.498 2.700 . 0 0 "[ . 1 . 2]" 2
327 1 31 HIS H 1 31 HIS HB3 . . 3.600 2.222 2.189 2.254 . 0 0 "[ . 1 . 2]" 2
328 1 22 PHE QE 1 31 HIS HB3 . . 4.640 3.316 2.647 3.802 . 0 0 "[ . 1 . 2]" 2
329 1 28 LEU MD1 1 31 HIS HB3 . . 4.660 2.970 2.750 3.242 . 0 0 "[ . 1 . 2]" 2
330 1 31 HIS HB2 1 32 GLN H . . 4.320 3.938 3.830 4.006 . 0 0 "[ . 1 . 2]" 2
331 1 33 ARG HG3 1 34 ILE HA . . 3.930 2.967 2.853 3.084 . 0 0 "[ . 1 . 2]" 2
332 1 33 ARG H 1 33 ARG HG3 . . 3.950 3.720 3.632 3.824 . 0 0 "[ . 1 . 2]" 2
333 1 31 HIS HA 1 33 ARG HG3 . . 4.920 4.570 4.310 4.906 . 0 0 "[ . 1 . 2]" 2
334 1 33 ARG HA 1 36 ARG QG . . 4.270 2.777 1.790 4.006 . 0 0 "[ . 1 . 2]" 2
335 1 39 LYS HA 1 40 PRO HD2 . . 3.400 2.293 2.002 2.457 . 0 0 "[ . 1 . 2]" 2
336 1 39 LYS HA 1 40 PRO HD3 . . 3.400 2.444 2.254 3.258 . 0 0 "[ . 1 . 2]" 2
337 1 36 ARG HA 1 36 ARG QG . . 3.730 2.777 2.259 3.442 . 0 0 "[ . 1 . 2]" 2
338 1 22 PHE QD 1 28 LEU MD2 . . 4.560 3.458 2.933 3.692 . 0 0 "[ . 1 . 2]" 2
339 1 13 TYR QD 1 28 LEU MD2 . . 3.880 3.440 2.737 3.876 . 0 0 "[ . 1 . 2]" 2
340 1 22 PHE QE 1 28 LEU MD2 . . 4.620 4.233 3.748 4.621 0.001 8 0 "[ . 1 . 2]" 2
341 1 13 TYR HA 1 28 LEU MD2 . . 4.030 3.803 3.433 4.039 0.009 7 0 "[ . 1 . 2]" 2
342 1 25 LYS HA 1 28 LEU MD2 . . 3.760 3.327 2.960 3.679 . 0 0 "[ . 1 . 2]" 2
343 1 25 LYS QE 1 28 LEU MD2 . . 4.140 3.377 1.843 4.083 . 0 0 "[ . 1 . 2]" 2
344 1 28 LEU HB2 1 28 LEU MD2 . . 3.610 2.445 2.311 2.528 . 0 0 "[ . 1 . 2]" 2
345 1 34 ILE H 1 34 ILE HG12 . . 4.220 2.560 2.372 3.413 . 0 0 "[ . 1 . 2]" 2
346 1 20 LYS HG2 1 21 ALA H . . 4.980 3.014 1.925 4.472 . 0 0 "[ . 1 . 2]" 2
347 1 42 GLY QA 1 43 PRO QD . . 3.250 2.006 1.896 2.334 . 0 0 "[ . 1 . 2]" 2
348 1 24 GLN H 1 27 THR MG . . 4.510 3.925 3.582 4.460 . 0 0 "[ . 1 . 2]" 2
349 1 22 PHE QD 1 27 THR MG . . 3.420 2.057 1.845 2.349 . 0 0 "[ . 1 . 2]" 2
350 1 22 PHE QE 1 27 THR MG . . 3.790 3.326 3.044 3.582 . 0 0 "[ . 1 . 2]" 2
351 1 27 THR HA 1 27 THR MG . . 3.260 2.409 2.256 2.488 . 0 0 "[ . 1 . 2]" 2
352 1 22 PHE HB3 1 27 THR MG . . 4.200 2.599 2.260 2.824 . 0 0 "[ . 1 . 2]" 2
353 1 27 THR MG 1 28 LEU HA . . 4.520 3.569 3.294 3.834 . 0 0 "[ . 1 . 2]" 2
354 1 27 THR MG 1 31 HIS HB3 . . 5.120 4.439 4.075 4.737 . 0 0 "[ . 1 . 2]" 2
355 1 27 THR MG 1 31 HIS HB2 . . 5.120 4.369 3.765 4.906 . 0 0 "[ . 1 . 2]" 2
356 1 22 PHE HB2 1 27 THR MG . . 4.200 3.907 3.398 4.200 0.000 4 0 "[ . 1 . 2]" 2
357 1 27 THR MG 1 30 MET QG . . 4.130 3.704 3.026 4.130 0.000 13 0 "[ . 1 . 2]" 2
358 1 12 HIS QB 1 13 TYR H . . 3.590 2.556 2.083 3.545 . 0 0 "[ . 1 . 2]" 2
359 1 12 HIS QB 1 21 ALA MB . . 3.820 3.554 2.713 3.821 0.001 5 0 "[ . 1 . 2]" 2
360 1 12 HIS QB 1 22 PHE H . . 4.480 3.597 2.543 4.479 . 0 0 "[ . 1 . 2]" 2
361 1 13 TYR H 1 13 TYR QB . . 3.380 2.546 2.305 2.752 . 0 0 "[ . 1 . 2]" 2
362 1 13 TYR QB 1 14 GLU H . . 3.860 3.433 2.879 3.812 . 0 0 "[ . 1 . 2]" 2
363 1 13 TYR QB 1 22 PHE QD . . 4.780 3.740 3.433 4.185 . 0 0 "[ . 1 . 2]" 2
364 1 13 TYR QB 1 28 LEU HB2 . . 4.650 3.228 2.968 3.460 . 0 0 "[ . 1 . 2]" 2
365 1 13 TYR QB 1 28 LEU HB3 . . 4.600 3.271 3.052 3.679 . 0 0 "[ . 1 . 2]" 2
366 1 13 TYR QB 1 28 LEU MD2 . . 3.210 2.061 1.876 2.244 . 0 0 "[ . 1 . 2]" 2
367 1 13 TYR QD 1 25 LYS QB . . 4.800 3.504 2.884 4.543 . 0 0 "[ . 1 . 2]" 2
368 1 13 TYR QD 1 25 LYS QG . . 4.150 3.364 2.115 4.152 0.002 8 0 "[ . 1 . 2]" 2
369 1 13 TYR QD 1 25 LYS QD . . 4.240 3.067 1.937 4.238 . 0 0 "[ . 1 . 2]" 2
370 1 13 TYR QE 1 25 LYS QB . . 4.270 3.016 2.518 4.181 . 0 0 "[ . 1 . 2]" 2
371 1 13 TYR QE 1 25 LYS QG . . 4.220 3.308 2.126 4.030 . 0 0 "[ . 1 . 2]" 2
372 1 13 TYR QE 1 25 LYS QD . . 4.450 3.118 1.981 4.420 . 0 0 "[ . 1 . 2]" 2
373 1 14 GLU QB 1 19 GLY QA . . 4.360 4.043 3.689 4.361 0.001 12 0 "[ . 1 . 2]" 2
374 1 14 GLU QG 1 19 GLY QA . . 5.030 4.489 2.656 5.035 0.005 7 0 "[ . 1 . 2]" 2
375 1 15 CYS HA 1 32 GLN QE . . 4.750 3.776 2.245 4.750 . 0 0 "[ . 1 . 2]" 2
376 1 15 CYS HB2 1 20 LYS QB . . 4.100 2.883 2.384 3.429 . 0 0 "[ . 1 . 2]" 2
377 1 15 CYS HB3 1 19 GLY QA . . 4.640 3.688 2.872 4.091 . 0 0 "[ . 1 . 2]" 2
378 1 15 CYS HB3 1 20 LYS QB . . 4.070 2.929 2.376 3.370 . 0 0 "[ . 1 . 2]" 2
379 1 17 GLU H 1 17 GLU QB . . 3.160 2.518 2.261 2.653 . 0 0 "[ . 1 . 2]" 2
380 1 17 GLU H 1 17 GLU QG . . 3.570 2.916 2.489 3.392 . 0 0 "[ . 1 . 2]" 2
381 1 17 GLU QB 1 35 HIS HD2 . . 4.120 2.852 2.301 3.664 . 0 0 "[ . 1 . 2]" 2
382 1 17 GLU QG 1 18 CYS H . . 4.220 3.987 3.823 4.226 0.006 7 0 "[ . 1 . 2]" 2
383 1 18 CYS H 1 18 CYS QB . . 3.420 2.918 2.737 3.044 . 0 0 "[ . 1 . 2]" 2
384 1 18 CYS H 1 19 GLY QA . . 4.600 4.014 3.842 4.239 . 0 0 "[ . 1 . 2]" 2
385 1 18 CYS QB 1 19 GLY H . . 4.250 3.237 3.116 3.436 . 0 0 "[ . 1 . 2]" 2
386 1 18 CYS QB 1 35 HIS HE1 . . 3.170 2.063 1.988 2.179 . 0 0 "[ . 1 . 2]" 2
387 1 19 GLY H 1 20 LYS QB . . 4.430 3.667 3.478 3.905 . 0 0 "[ . 1 . 2]" 2
388 1 20 LYS H 1 20 LYS QB . . 3.010 2.341 2.179 2.552 . 0 0 "[ . 1 . 2]" 2
389 1 20 LYS H 1 20 LYS QG . . 4.170 3.695 2.508 4.133 . 0 0 "[ . 1 . 2]" 2
390 1 20 LYS HA 1 20 LYS QG . . 3.240 2.286 2.138 2.587 . 0 0 "[ . 1 . 2]" 2
391 1 20 LYS QB 1 20 LYS QD . . 3.320 2.112 2.027 2.202 . 0 0 "[ . 1 . 2]" 2
392 1 20 LYS QB 1 21 ALA H . . 3.790 2.998 1.938 3.659 . 0 0 "[ . 1 . 2]" 2
393 1 20 LYS QB 1 22 PHE QD . . 5.340 3.890 3.652 4.228 . 0 0 "[ . 1 . 2]" 2
394 1 20 LYS QB 1 22 PHE HZ . . 3.840 2.632 2.051 3.419 . 0 0 "[ . 1 . 2]" 2
395 1 20 LYS QB 1 31 HIS HE1 . . 4.290 3.779 3.330 4.293 0.003 6 0 "[ . 1 . 2]" 2
396 1 20 LYS QD 1 22 PHE QE . . 4.730 3.148 2.538 3.913 . 0 0 "[ . 1 . 2]" 2
397 1 20 LYS QD 1 22 PHE HZ . . 4.130 2.469 1.996 3.672 . 0 0 "[ . 1 . 2]" 2
398 1 20 LYS QE 1 21 ALA H . . 4.850 4.230 2.572 4.855 0.005 7 0 "[ . 1 . 2]" 2
399 1 22 PHE H 1 22 PHE QB . . 3.380 2.727 2.569 2.937 . 0 0 "[ . 1 . 2]" 2
400 1 22 PHE QB 1 23 ILE MG . . 4.480 3.560 3.310 3.818 . 0 0 "[ . 1 . 2]" 2
401 1 22 PHE QB 1 24 GLN H . . 3.490 2.945 2.669 3.177 . 0 0 "[ . 1 . 2]" 2
402 1 22 PHE QB 1 27 THR HB . . 3.750 2.587 2.160 3.112 . 0 0 "[ . 1 . 2]" 2
403 1 22 PHE QB 1 28 LEU HA . . 4.710 3.598 3.366 3.864 . 0 0 "[ . 1 . 2]" 2
404 1 22 PHE QB 1 28 LEU HB2 . . 4.190 2.597 2.257 3.074 . 0 0 "[ . 1 . 2]" 2
405 1 22 PHE QB 1 28 LEU HB3 . . 4.590 3.558 3.201 3.954 . 0 0 "[ . 1 . 2]" 2
406 1 22 PHE QB 1 28 LEU MD1 . . 5.040 4.017 3.655 4.525 . 0 0 "[ . 1 . 2]" 2
407 1 22 PHE QB 1 28 LEU MD2 . . 4.620 3.982 3.555 4.449 . 0 0 "[ . 1 . 2]" 2
408 1 22 PHE QD 1 31 HIS QB . . 5.150 4.163 3.630 4.433 . 0 0 "[ . 1 . 2]" 2
409 1 22 PHE QE 1 31 HIS QB . . 4.070 2.860 2.268 3.368 . 0 0 "[ . 1 . 2]" 2
410 1 22 PHE HZ 1 31 HIS QB . . 3.960 2.780 2.246 3.284 . 0 0 "[ . 1 . 2]" 2
411 1 23 ILE QG 1 24 GLN H . . 4.190 3.628 3.372 4.156 . 0 0 "[ . 1 . 2]" 2
412 1 23 ILE QG 1 24 GLN QG . . 4.030 2.857 2.137 4.031 0.001 5 0 "[ . 1 . 2]" 2
413 1 24 GLN H 1 24 GLN QB . . 3.470 2.412 2.248 2.636 . 0 0 "[ . 1 . 2]" 2
414 1 24 GLN QB 1 27 THR H . . 3.640 2.593 2.506 2.895 . 0 0 "[ . 1 . 2]" 2
415 1 24 GLN QB 1 27 THR HB . . 4.000 2.886 2.460 3.281 . 0 0 "[ . 1 . 2]" 2
416 1 25 LYS HA 1 25 LYS QG . . 3.640 2.548 2.159 3.002 . 0 0 "[ . 1 . 2]" 2
417 1 25 LYS HA 1 25 LYS QD . . 3.830 2.932 2.164 3.787 . 0 0 "[ . 1 . 2]" 2
418 1 27 THR HA 1 30 MET QB . . 4.020 3.575 3.281 3.970 . 0 0 "[ . 1 . 2]" 2
419 1 27 THR MG 1 31 HIS QB . . 4.290 3.915 3.473 4.291 0.001 4 0 "[ . 1 . 2]" 2
420 1 28 LEU HA 1 31 HIS QB . . 3.790 2.548 2.209 2.951 . 0 0 "[ . 1 . 2]" 2
421 1 28 LEU HG 1 29 SER QB . . 4.740 4.137 3.697 4.534 . 0 0 "[ . 1 . 2]" 2
422 1 28 LEU HG 1 32 GLN QE . . 5.340 3.288 1.986 4.881 . 0 0 "[ . 1 . 2]" 2
423 1 28 LEU MD1 1 29 SER QB . . 5.340 5.095 4.810 5.339 . 0 0 "[ . 1 . 2]" 2
424 1 28 LEU MD1 1 31 HIS QB . . 4.100 2.928 2.718 3.182 . 0 0 "[ . 1 . 2]" 2
425 1 28 LEU MD1 1 32 GLN QE . . 3.790 2.862 1.879 3.491 . 0 0 "[ . 1 . 2]" 2
426 1 28 LEU MD2 1 32 GLN QE . . 4.340 3.011 1.844 4.334 . 0 0 "[ . 1 . 2]" 2
427 1 29 SER H 1 29 SER QB . . 3.060 2.300 2.155 2.612 . 0 0 "[ . 1 . 2]" 2
428 1 29 SER HA 1 32 GLN QB . . 3.880 2.647 2.224 3.010 . 0 0 "[ . 1 . 2]" 2
429 1 29 SER QB 1 30 MET H . . 3.260 2.640 2.469 3.269 0.009 4 0 "[ . 1 . 2]" 2
430 1 29 SER QB 1 30 MET HA . . 4.650 4.008 3.838 4.308 . 0 0 "[ . 1 . 2]" 2
431 1 29 SER QB 1 30 MET QG . . 4.410 3.735 3.163 4.382 . 0 0 "[ . 1 . 2]" 2
432 1 29 SER QB 1 31 HIS H . . 5.340 4.518 4.356 4.824 . 0 0 "[ . 1 . 2]" 2
433 1 30 MET H 1 30 MET QB . . 3.490 2.547 2.411 2.650 . 0 0 "[ . 1 . 2]" 2
434 1 30 MET H 1 31 HIS QB . . 4.640 4.323 4.150 4.589 . 0 0 "[ . 1 . 2]" 2
435 1 30 MET HA 1 33 ARG QD . . 3.780 3.614 3.286 3.788 0.008 11 0 "[ . 1 . 2]" 2
436 1 30 MET QG 1 31 HIS QB . . 5.340 4.361 3.047 5.210 . 0 0 "[ . 1 . 2]" 2
437 1 31 HIS H 1 31 HIS QB . . 3.060 2.174 2.143 2.197 . 0 0 "[ . 1 . 2]" 2
438 1 31 HIS HA 1 34 ILE QG . . 4.720 3.953 3.316 4.251 . 0 0 "[ . 1 . 2]" 2
439 1 31 HIS QB 1 32 GLN H . . 3.740 2.571 2.467 2.660 . 0 0 "[ . 1 . 2]" 2
440 1 31 HIS QB 1 34 ILE MG . . 4.840 4.156 3.846 4.418 . 0 0 "[ . 1 . 2]" 2
441 1 31 HIS HE1 1 34 ILE QG . . 4.650 3.662 2.737 4.156 . 0 0 "[ . 1 . 2]" 2
442 1 32 GLN H 1 32 GLN QB . . 3.210 2.360 2.242 2.603 . 0 0 "[ . 1 . 2]" 2
443 1 32 GLN HA 1 34 ILE QG . . 5.270 3.357 3.234 3.871 . 0 0 "[ . 1 . 2]" 2
444 1 32 GLN HA 1 35 HIS QB . . 4.100 3.449 2.705 3.812 . 0 0 "[ . 1 . 2]" 2
445 1 32 GLN QB 1 33 ARG H . . 3.850 2.948 2.845 3.033 . 0 0 "[ . 1 . 2]" 2
446 1 32 GLN QB 1 35 HIS HD2 . . 4.730 3.749 3.191 4.402 . 0 0 "[ . 1 . 2]" 2
447 1 32 GLN QG 1 35 HIS QB . . 5.260 4.316 3.841 4.928 . 0 0 "[ . 1 . 2]" 2
448 1 33 ARG H 1 33 ARG QD . . 4.380 3.994 3.804 4.311 . 0 0 "[ . 1 . 2]" 2
449 1 33 ARG HA 1 36 ARG QB . . 4.310 3.139 2.195 4.303 . 0 0 "[ . 1 . 2]" 2
450 1 33 ARG HB2 1 33 ARG QD . . 3.600 2.632 2.276 2.842 . 0 0 "[ . 1 . 2]" 2
451 1 33 ARG HB3 1 33 ARG QD . . 3.070 2.557 2.271 3.030 . 0 0 "[ . 1 . 2]" 2
452 1 33 ARG QD 1 34 ILE MG . . 5.170 3.459 3.252 3.848 . 0 0 "[ . 1 . 2]" 2
453 1 34 ILE H 1 34 ILE QG . . 3.550 2.438 2.321 2.574 . 0 0 "[ . 1 . 2]" 2
454 1 34 ILE HA 1 34 ILE QG . . 3.640 3.306 3.289 3.402 . 0 0 "[ . 1 . 2]" 2
455 1 35 HIS H 1 35 HIS QB . . 3.330 2.406 2.186 2.551 . 0 0 "[ . 1 . 2]" 2
456 1 35 HIS H 1 36 ARG QB . . 5.340 4.422 3.882 4.958 . 0 0 "[ . 1 . 2]" 2
457 1 35 HIS QB 1 35 HIS HD2 . . 3.450 2.664 2.624 2.799 . 0 0 "[ . 1 . 2]" 2
458 1 35 HIS QB 1 36 ARG H . . 4.140 2.885 2.547 3.647 . 0 0 "[ . 1 . 2]" 2
459 1 35 HIS QB 1 36 ARG HA . . 4.920 4.043 3.872 4.462 . 0 0 "[ . 1 . 2]" 2
460 1 36 ARG H 1 36 ARG QB . . 3.590 2.555 2.186 3.199 . 0 0 "[ . 1 . 2]" 2
461 1 36 ARG QB 1 36 ARG QD . . 3.010 2.195 2.028 2.618 . 0 0 "[ . 1 . 2]" 2
462 1 38 GLU H 1 38 GLU QB . . 3.640 2.465 2.146 2.868 . 0 0 "[ . 1 . 2]" 2
463 1 38 GLU QB 1 39 LYS H . . 4.210 3.016 2.015 4.038 . 0 0 "[ . 1 . 2]" 2
464 1 39 LYS H 1 39 LYS QB . . 3.670 2.596 2.249 3.173 . 0 0 "[ . 1 . 2]" 2
465 1 39 LYS HA 1 40 PRO QD . . 2.980 2.071 1.956 2.313 . 0 0 "[ . 1 . 2]" 2
466 1 39 LYS QB 1 40 PRO QD . . 3.850 2.613 1.978 3.823 . 0 0 "[ . 1 . 2]" 2
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