NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609466 |
5ij4   |
30030 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ij4
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 30
_Distance_constraint_stats_list.Viol_count 255
_Distance_constraint_stats_list.Viol_total 251.801
_Distance_constraint_stats_list.Viol_max 0.244
_Distance_constraint_stats_list.Viol_rms 0.0563
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0373
_Distance_constraint_stats_list.Viol_average_violations_only 0.0658
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 CYS 3.599 0.182 2 0 "[ . 1 .]"
1 11 CYS 4.697 0.244 14 0 "[ . 1 .]"
1 21 CYS 1.832 0.078 10 0 "[ . 1 .]"
1 24 CYS 1.628 0.067 10 0 "[ . 1 .]"
1 29 CYS 3.384 0.230 14 0 "[ . 1 .]"
1 32 HIS 2.792 0.148 5 0 "[ . 1 .]"
1 38 HIS 2.996 0.067 10 0 "[ . 1 .]"
1 40 CYS 1.308 0.105 8 0 "[ . 1 .]"
2 1 ZN 8.228 0.244 14 0 "[ . 1 .]"
3 1 ZN 3.109 0.105 8 0 "[ . 1 .]"
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 8 CYS SG 2 1 ZN ZN . . 2.350 2.520 2.496 2.532 0.182 2 0 "[ . 1 .]" 1
2 1 11 CYS SG 2 1 ZN ZN . . 2.350 2.279 2.241 2.294 . 0 0 "[ . 1 .]" 1
3 1 29 CYS SG 2 1 ZN ZN . . 2.350 2.289 2.276 2.315 . 0 0 "[ . 1 .]" 1
4 1 32 HIS ND1 2 1 ZN ZN . . 2.170 2.171 2.163 2.190 0.020 14 0 "[ . 1 .]" 1
5 1 21 CYS SG 3 1 ZN ZN . . 2.350 2.415 2.392 2.428 0.078 10 0 "[ . 1 .]" 1
6 1 24 CYS SG 3 1 ZN ZN . . 2.350 2.343 2.332 2.383 0.033 8 0 "[ . 1 .]" 1
7 1 40 CYS SG 3 1 ZN ZN . . 2.350 2.309 2.271 2.337 . 0 0 "[ . 1 .]" 1
8 1 38 HIS NE2 3 1 ZN ZN . . 2.140 2.191 2.167 2.200 0.060 12 0 "[ . 1 .]" 1
9 1 8 CYS SG 1 11 CYS SG . . 3.970 3.848 3.836 3.913 . 0 0 "[ . 1 .]" 1
10 1 8 CYS SG 1 29 CYS SG . . 3.970 3.984 3.950 3.998 0.028 7 0 "[ . 1 .]" 1
11 1 8 CYS SG 1 32 HIS ND1 . . 3.550 3.604 3.583 3.619 0.069 12 0 "[ . 1 .]" 1
12 1 11 CYS SG 1 29 CYS SG . . 3.970 3.982 3.965 3.995 0.025 5 0 "[ . 1 .]" 1
13 1 11 CYS SG 1 32 HIS ND1 . . 3.550 3.676 3.621 3.698 0.148 5 0 "[ . 1 .]" 1
14 1 29 CYS SG 1 32 HIS ND1 . . 3.550 3.508 3.492 3.515 . 0 0 "[ . 1 .]" 1
15 1 21 CYS SG 1 24 CYS SG . . 4.000 3.948 3.939 3.968 . 0 0 "[ . 1 .]" 1
16 1 21 CYS SG 1 40 CYS SG . . 4.000 4.013 4.004 4.023 0.023 15 0 "[ . 1 .]" 1
17 1 21 CYS SG 1 38 HIS NE2 . . 3.490 3.534 3.528 3.543 0.053 11 0 "[ . 1 .]" 1
18 1 24 CYS SG 1 40 CYS SG . . 4.000 4.010 3.954 4.030 0.030 12 0 "[ . 1 .]" 1
19 1 24 CYS SG 1 38 HIS NE2 . . 3.490 3.549 3.540 3.557 0.067 10 0 "[ . 1 .]" 1
20 1 38 HIS NE2 1 40 CYS SG . . 3.490 3.513 3.490 3.526 0.036 9 0 "[ . 1 .]" 1
21 1 8 CYS CB 2 1 ZN ZN . . 3.270 3.050 3.027 3.095 . 0 0 "[ . 1 .]" 1
22 1 11 CYS CB 2 1 ZN ZN . . 3.270 3.445 3.418 3.514 0.244 14 0 "[ . 1 .]" 1
23 1 29 CYS CB 2 1 ZN ZN . . 3.270 3.467 3.456 3.500 0.230 14 0 "[ . 1 .]" 1
24 1 32 HIS CG 2 1 ZN ZN . . 3.300 3.246 3.220 3.283 . 0 0 "[ . 1 .]" 1
25 1 32 HIS CE1 2 1 ZN ZN . . 3.050 3.047 3.032 3.074 0.024 15 0 "[ . 1 .]" 1
26 1 21 CYS CB 3 1 ZN ZN . . 3.250 3.220 3.204 3.249 . 0 0 "[ . 1 .]" 1
27 1 24 CYS CB 3 1 ZN ZN . . 3.250 3.279 3.256 3.287 0.037 12 0 "[ . 1 .]" 1
28 1 40 CYS CB 3 1 ZN ZN . . 3.250 3.285 3.264 3.355 0.105 8 0 "[ . 1 .]" 1
29 1 38 HIS CD2 3 1 ZN ZN . . 3.200 3.223 3.211 3.233 0.033 2 0 "[ . 1 .]" 1
30 1 38 HIS CE1 3 1 ZN ZN . . 3.100 3.040 3.029 3.051 . 0 0 "[ . 1 .]" 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 585
_Distance_constraint_stats_list.Viol_count 588
_Distance_constraint_stats_list.Viol_total 516.542
_Distance_constraint_stats_list.Viol_max 0.242
_Distance_constraint_stats_list.Viol_rms 0.0220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_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 1 MET 0.000 0.000 . 0 "[ . 1 .]"
1 2 LEU 1.368 0.242 7 0 "[ . 1 .]"
1 3 ASP 1.287 0.242 7 0 "[ . 1 .]"
1 4 VAL 0.505 0.141 13 0 "[ . 1 .]"
1 5 GLY 0.373 0.141 13 0 "[ . 1 .]"
1 6 LYS 6.376 0.213 14 0 "[ . 1 .]"
1 7 HIS 1.913 0.080 14 0 "[ . 1 .]"
1 8 CYS 0.014 0.007 13 0 "[ . 1 .]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 10 TYR 0.478 0.046 6 0 "[ . 1 .]"
1 11 CYS 0.095 0.051 15 0 "[ . 1 .]"
1 12 ARG 1.824 0.099 15 0 "[ . 1 .]"
1 13 GLN 0.878 0.095 2 0 "[ . 1 .]"
1 14 LEU 1.366 0.095 2 0 "[ . 1 .]"
1 15 ASP 0.077 0.008 6 0 "[ . 1 .]"
1 16 PHE 0.413 0.052 14 0 "[ . 1 .]"
1 17 LEU 3.222 0.171 12 0 "[ . 1 .]"
1 18 PRO 2.733 0.171 12 0 "[ . 1 .]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 20 HIS 0.040 0.007 15 0 "[ . 1 .]"
1 21 CYS 0.207 0.041 14 0 "[ . 1 .]"
1 22 SER 0.000 0.000 . 0 "[ . 1 .]"
1 23 PHE 0.936 0.116 9 0 "[ . 1 .]"
1 24 CYS 0.002 0.002 15 0 "[ . 1 .]"
1 25 ASN 1.860 0.125 9 0 "[ . 1 .]"
1 26 GLU 0.190 0.029 14 0 "[ . 1 .]"
1 27 ASP 0.030 0.007 15 0 "[ . 1 .]"
1 28 PHE 0.528 0.046 6 0 "[ . 1 .]"
1 29 CYS 0.399 0.052 14 0 "[ . 1 .]"
1 30 SER 0.159 0.018 9 0 "[ . 1 .]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 33 ARG 1.173 0.069 10 0 "[ . 1 .]"
1 34 LEU 0.023 0.007 5 0 "[ . 1 .]"
1 35 LYS 3.161 0.099 12 0 "[ . 1 .]"
1 36 GLU 0.016 0.007 9 0 "[ . 1 .]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 38 HIS 0.218 0.041 14 0 "[ . 1 .]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 40 CYS 0.940 0.116 9 0 "[ . 1 .]"
1 41 ARG 1.119 0.143 11 0 "[ . 1 .]"
1 42 TRP 4.580 0.234 14 0 "[ . 1 .]"
1 43 LEU 1.029 0.060 8 0 "[ . 1 .]"
1 44 LEU 2.926 0.131 1 0 "[ . 1 .]"
1 45 GLU 1.483 0.141 3 0 "[ . 1 .]"
1 46 HIS 0.003 0.003 9 0 "[ . 1 .]"
1 47 GLU 0.029 0.024 7 0 "[ . 1 .]"
1 48 GLU 0.102 0.033 3 0 "[ . 1 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 .]"
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 46 HIS H 1 47 GLU H . . 3.760 3.627 3.371 3.763 0.003 9 0 "[ . 1 .]" 2
2 1 2 LEU H 1 3 ASP H . . 4.070 4.146 4.051 4.312 0.242 7 0 "[ . 1 .]" 2
3 1 4 VAL H 1 5 GLY H . . 3.700 3.351 2.331 3.566 . 0 0 "[ . 1 .]" 2
4 1 3 ASP H 1 4 VAL H . . 3.700 3.392 2.999 3.680 . 0 0 "[ . 1 .]" 2
5 1 5 GLY H 1 6 LYS H . . 4.450 4.252 3.792 4.458 0.008 2 0 "[ . 1 .]" 2
6 1 6 LYS H 1 15 ASP H . . 3.950 3.954 3.951 3.958 0.008 6 0 "[ . 1 .]" 2
7 1 2 LEU HA 1 3 ASP H . . 3.140 2.350 2.138 2.770 . 0 0 "[ . 1 .]" 2
8 1 4 VAL H 1 4 VAL HB . . 3.610 3.541 2.920 3.630 0.020 2 0 "[ . 1 .]" 2
9 1 4 VAL HB 1 5 GLY H . . 4.380 4.383 4.345 4.521 0.141 13 0 "[ . 1 .]" 2
10 1 5 GLY HA2 1 6 LYS H . . 3.420 2.225 2.139 2.355 . 0 0 "[ . 1 .]" 2
11 1 5 GLY HA3 1 6 LYS H . . 3.420 3.000 2.793 3.232 . 0 0 "[ . 1 .]" 2
12 1 6 LYS H 1 6 LYS HB2 . . 3.950 2.301 2.243 2.355 . 0 0 "[ . 1 .]" 2
13 1 6 LYS H 1 6 LYS HB3 . . 3.950 3.239 3.210 3.253 . 0 0 "[ . 1 .]" 2
14 1 4 VAL HA 1 5 GLY H . . 3.240 2.663 2.586 2.978 . 0 0 "[ . 1 .]" 2
15 1 3 ASP HB3 1 4 VAL H . . 4.720 4.217 3.962 4.513 . 0 0 "[ . 1 .]" 2
16 1 3 ASP HB2 1 4 VAL H . . 4.720 4.451 4.130 4.653 . 0 0 "[ . 1 .]" 2
17 1 3 ASP HA 1 4 VAL H . . 3.140 2.396 2.180 2.791 . 0 0 "[ . 1 .]" 2
18 1 2 LEU HB2 1 3 ASP H . . 4.170 3.405 2.535 4.200 0.030 8 0 "[ . 1 .]" 2
19 1 2 LEU HB3 1 3 ASP H . . 4.170 3.320 2.002 4.167 . 0 0 "[ . 1 .]" 2
20 1 2 LEU H 1 2 LEU HB3 . . 4.010 3.731 3.505 3.923 . 0 0 "[ . 1 .]" 2
21 1 1 MET HB3 1 2 LEU H . . 4.660 3.690 2.309 4.634 . 0 0 "[ . 1 .]" 2
22 1 1 MET HB2 1 2 LEU H . . 4.660 3.865 2.427 4.571 . 0 0 "[ . 1 .]" 2
23 1 1 MET HA 1 2 LEU H . . 3.240 2.318 2.143 2.517 . 0 0 "[ . 1 .]" 2
24 1 2 LEU H 1 2 LEU HB2 . . 4.010 3.267 2.878 3.807 . 0 0 "[ . 1 .]" 2
25 1 10 TYR H 1 11 CYS H . . 3.360 1.928 1.879 2.033 . 0 0 "[ . 1 .]" 2
26 1 11 CYS H 1 12 ARG H . . 3.080 1.936 1.902 2.037 . 0 0 "[ . 1 .]" 2
27 1 10 TYR H 1 12 ARG H . . 4.690 2.586 2.529 2.612 . 0 0 "[ . 1 .]" 2
28 1 7 HIS H 1 7 HIS HB2 . . 3.760 2.662 2.653 2.674 . 0 0 "[ . 1 .]" 2
29 1 8 CYS H 1 8 CYS HB3 . . 3.520 2.754 2.683 2.775 . 0 0 "[ . 1 .]" 2
30 1 10 TYR H 1 10 TYR HB2 . . 3.580 3.021 2.870 3.183 . 0 0 "[ . 1 .]" 2
31 1 10 TYR H 1 10 TYR HB3 . . 3.580 2.846 2.711 2.985 . 0 0 "[ . 1 .]" 2
32 1 8 CYS H 1 8 CYS HB2 . . 3.520 2.326 2.308 2.388 . 0 0 "[ . 1 .]" 2
33 1 7 HIS HB2 1 8 CYS H . . 4.880 3.917 3.899 3.982 . 0 0 "[ . 1 .]" 2
34 1 7 HIS HB3 1 8 CYS H . . 4.880 3.099 3.066 3.192 . 0 0 "[ . 1 .]" 2
35 1 10 TYR HB3 1 11 CYS H . . 3.980 2.588 2.456 2.657 . 0 0 "[ . 1 .]" 2
36 1 10 TYR HB2 1 11 CYS H . . 3.980 3.740 3.519 3.889 . 0 0 "[ . 1 .]" 2
37 1 11 CYS H 1 12 ARG HA . . 4.660 4.168 4.073 4.244 . 0 0 "[ . 1 .]" 2
38 1 7 HIS H 1 7 HIS HB3 . . 3.760 3.648 3.623 3.661 . 0 0 "[ . 1 .]" 2
39 1 6 LYS HA 1 7 HIS H . . 3.270 2.185 2.156 2.204 . 0 0 "[ . 1 .]" 2
40 1 7 HIS HA 1 8 CYS H . . 3.080 2.191 2.172 2.198 . 0 0 "[ . 1 .]" 2
41 1 9 ALA H 1 28 PHE HA . . 4.170 2.761 2.726 2.850 . 0 0 "[ . 1 .]" 2
42 1 10 TYR H 1 28 PHE HA . . 5.070 4.694 4.624 4.801 . 0 0 "[ . 1 .]" 2
43 1 12 ARG H 1 13 GLN H . . 3.640 2.986 2.872 3.246 . 0 0 "[ . 1 .]" 2
44 1 14 LEU H 1 14 LEU HB2 . . 3.270 2.467 2.281 2.671 . 0 0 "[ . 1 .]" 2
45 1 12 ARG H 1 12 ARG HA . . 2.770 2.275 2.274 2.286 . 0 0 "[ . 1 .]" 2
46 1 13 GLN H 1 13 GLN HB2 . . 3.640 2.929 2.424 3.187 . 0 0 "[ . 1 .]" 2
47 1 13 GLN H 1 13 GLN HB3 . . 3.640 2.856 2.520 3.551 . 0 0 "[ . 1 .]" 2
48 1 14 LEU H 1 14 LEU HB3 . . 3.270 2.559 2.347 2.753 . 0 0 "[ . 1 .]" 2
49 1 13 GLN HB3 1 14 LEU H . . 4.510 4.155 3.684 4.410 . 0 0 "[ . 1 .]" 2
50 1 13 GLN HB2 1 14 LEU H . . 4.510 4.345 4.240 4.551 0.041 14 0 "[ . 1 .]" 2
51 1 13 GLN HA 1 14 LEU H . . 2.770 2.141 2.139 2.143 . 0 0 "[ . 1 .]" 2
52 1 16 PHE H 1 17 LEU H . . 3.610 2.314 2.257 2.364 . 0 0 "[ . 1 .]" 2
53 1 15 ASP H 1 15 ASP HB3 . . 4.040 3.211 2.901 3.524 . 0 0 "[ . 1 .]" 2
54 1 18 PRO HA 1 19 PHE H . . 3.240 2.154 2.154 2.155 . 0 0 "[ . 1 .]" 2
55 1 20 HIS H 1 20 HIS HB3 . . 4.070 2.421 2.382 2.483 . 0 0 "[ . 1 .]" 2
56 1 20 HIS H 1 20 HIS HB2 . . 4.070 2.760 2.653 2.841 . 0 0 "[ . 1 .]" 2
57 1 19 PHE HA 1 20 HIS H . . 3.390 2.155 2.143 2.162 . 0 0 "[ . 1 .]" 2
58 1 16 PHE HB3 1 17 LEU H . . 5.040 3.875 3.834 3.944 . 0 0 "[ . 1 .]" 2
59 1 16 PHE HB2 1 17 LEU H . . 5.040 2.667 2.629 2.749 . 0 0 "[ . 1 .]" 2
60 1 15 ASP HA 1 16 PHE H . . 3.170 2.357 2.325 2.408 . 0 0 "[ . 1 .]" 2
61 1 15 ASP H 1 15 ASP HB2 . . 4.040 2.596 2.387 3.773 . 0 0 "[ . 1 .]" 2
62 1 15 ASP HB3 1 16 PHE H . . 5.500 3.046 2.555 3.895 . 0 0 "[ . 1 .]" 2
63 1 15 ASP HB2 1 16 PHE H . . 5.500 3.963 2.609 4.133 . 0 0 "[ . 1 .]" 2
64 1 14 LEU HA 1 15 ASP H . . 3.110 2.159 2.149 2.166 . 0 0 "[ . 1 .]" 2
65 1 21 CYS H 1 26 GLU H . . 4.720 2.739 2.598 2.889 . 0 0 "[ . 1 .]" 2
66 1 22 SER H 1 23 PHE H . . 3.860 2.686 2.657 2.720 . 0 0 "[ . 1 .]" 2
67 1 23 PHE H 1 24 CYS H . . 3.450 2.087 2.083 2.098 . 0 0 "[ . 1 .]" 2
68 1 25 ASN H 1 26 GLU H . . 3.640 2.810 2.802 2.815 . 0 0 "[ . 1 .]" 2
69 1 21 CYS H 1 21 CYS HB3 . . 3.920 2.881 2.755 2.938 . 0 0 "[ . 1 .]" 2
70 1 22 SER H 1 22 SER HB2 . . 4.170 2.315 2.195 2.414 . 0 0 "[ . 1 .]" 2
71 1 22 SER H 1 22 SER HB3 . . 4.170 3.063 2.896 3.416 . 0 0 "[ . 1 .]" 2
72 1 21 CYS HA 1 22 SER H . . 3.330 2.158 2.153 2.166 . 0 0 "[ . 1 .]" 2
73 1 21 CYS H 1 27 ASP HA . . 5.130 3.662 3.490 3.821 . 0 0 "[ . 1 .]" 2
74 1 20 HIS HA 1 21 CYS H . . 3.170 2.142 2.140 2.146 . 0 0 "[ . 1 .]" 2
75 1 21 CYS H 1 21 CYS HB2 . . 3.920 2.343 2.299 2.444 . 0 0 "[ . 1 .]" 2
76 1 23 PHE H 1 23 PHE HB2 . . 3.860 2.731 2.396 2.807 . 0 0 "[ . 1 .]" 2
77 1 23 PHE H 1 23 PHE HB3 . . 3.860 3.753 3.518 3.794 . 0 0 "[ . 1 .]" 2
78 1 22 SER HB3 1 23 PHE H . . 4.850 4.023 3.955 4.173 . 0 0 "[ . 1 .]" 2
79 1 22 SER HB2 1 23 PHE H . . 4.850 4.264 4.048 4.348 . 0 0 "[ . 1 .]" 2
80 1 25 ASN H 1 25 ASN HA . . 2.930 2.277 2.276 2.277 . 0 0 "[ . 1 .]" 2
81 1 21 CYS HA 1 23 PHE H . . 5.250 3.656 3.649 3.681 . 0 0 "[ . 1 .]" 2
82 1 19 PHE H 1 28 PHE H . . 4.110 2.955 2.738 3.144 . 0 0 "[ . 1 .]" 2
83 1 26 GLU HA 1 27 ASP H . . 3.170 2.314 2.263 2.375 . 0 0 "[ . 1 .]" 2
84 1 27 ASP HA 1 28 PHE H . . 3.170 2.218 2.214 2.232 . 0 0 "[ . 1 .]" 2
85 1 20 HIS HA 1 28 PHE H . . 4.720 4.192 4.039 4.290 . 0 0 "[ . 1 .]" 2
86 1 26 GLU H 1 26 GLU HB2 . . 4.170 2.769 2.736 2.796 . 0 0 "[ . 1 .]" 2
87 1 30 SER H 1 31 ASN H . . 3.790 2.781 2.756 2.857 . 0 0 "[ . 1 .]" 2
88 1 31 ASN H 1 33 ARG H . . 4.570 4.030 4.003 4.105 . 0 0 "[ . 1 .]" 2
89 1 28 PHE HA 1 29 CYS H . . 3.300 2.194 2.182 2.233 . 0 0 "[ . 1 .]" 2
90 1 30 SER QB 1 31 ASN H . . 4.930 3.007 2.673 3.468 . 0 0 "[ . 1 .]" 2
91 1 29 CYS HB2 1 30 SER H . . 4.170 2.633 2.603 2.692 . 0 0 "[ . 1 .]" 2
92 1 28 PHE HB2 1 29 CYS H . . 4.040 4.015 3.907 4.054 0.014 9 0 "[ . 1 .]" 2
93 1 29 CYS H 1 29 CYS HB2 . . 4.040 3.558 3.556 3.562 . 0 0 "[ . 1 .]" 2
94 1 29 CYS H 1 29 CYS HB3 . . 4.040 2.313 2.304 2.327 . 0 0 "[ . 1 .]" 2
95 1 28 PHE HB3 1 29 CYS H . . 4.040 3.055 2.911 3.105 . 0 0 "[ . 1 .]" 2
96 1 29 CYS HB3 1 30 SER H . . 4.170 3.969 3.948 4.001 . 0 0 "[ . 1 .]" 2
97 1 32 HIS H 1 33 ARG H . . 3.110 2.392 2.363 2.462 . 0 0 "[ . 1 .]" 2
98 1 33 ARG H 1 34 LEU H . . 3.520 2.723 2.662 2.758 . 0 0 "[ . 1 .]" 2
99 1 35 LYS H 1 36 GLU H . . 3.950 2.759 2.734 2.799 . 0 0 "[ . 1 .]" 2
100 1 42 TRP H 1 43 LEU H . . 3.420 2.733 2.687 2.787 . 0 0 "[ . 1 .]" 2
101 1 41 ARG H 1 42 TRP H . . 3.730 2.776 2.749 2.840 . 0 0 "[ . 1 .]" 2
102 1 32 HIS H 1 32 HIS HB3 . . 3.760 3.695 3.645 3.717 . 0 0 "[ . 1 .]" 2
103 1 32 HIS H 1 32 HIS HB2 . . 3.760 2.505 2.431 2.537 . 0 0 "[ . 1 .]" 2
104 1 31 ASN QB 1 32 HIS H . . 5.020 2.918 2.857 2.950 . 0 0 "[ . 1 .]" 2
105 1 31 ASN HA 1 33 ARG H . . 5.280 3.975 3.897 4.007 . 0 0 "[ . 1 .]" 2
106 1 33 ARG H 1 33 ARG HB2 . . 3.520 3.586 3.578 3.589 0.069 10 0 "[ . 1 .]" 2
107 1 33 ARG H 1 33 ARG HB3 . . 3.520 2.481 2.404 2.524 . 0 0 "[ . 1 .]" 2
108 1 35 LYS H 1 35 LYS HB2 . . 3.890 2.087 2.076 2.095 . 0 0 "[ . 1 .]" 2
109 1 35 LYS H 1 35 LYS HB3 . . 3.890 3.298 3.283 3.330 . 0 0 "[ . 1 .]" 2
110 1 39 HIS H 1 40 CYS H . . 3.700 2.995 2.947 3.096 . 0 0 "[ . 1 .]" 2
111 1 38 HIS H 1 39 HIS H . . 3.140 2.661 2.619 2.684 . 0 0 "[ . 1 .]" 2
112 1 37 ASP H 1 38 HIS H . . 3.170 2.948 2.947 2.949 . 0 0 "[ . 1 .]" 2
113 1 36 GLU H 1 37 ASP H . . 3.670 2.711 2.685 2.723 . 0 0 "[ . 1 .]" 2
114 1 37 ASP H 1 37 ASP HB3 . . 4.010 3.502 3.458 3.533 . 0 0 "[ . 1 .]" 2
115 1 39 HIS H 1 39 HIS HA . . 2.860 2.283 2.280 2.287 . 0 0 "[ . 1 .]" 2
116 1 40 CYS H 1 40 CYS HB2 . . 3.080 2.265 2.200 2.297 . 0 0 "[ . 1 .]" 2
117 1 40 CYS HA 1 41 ARG H . . 3.080 2.156 2.144 2.188 . 0 0 "[ . 1 .]" 2
118 1 37 ASP H 1 37 ASP HB2 . . 4.010 2.203 2.145 2.249 . 0 0 "[ . 1 .]" 2
119 1 41 ARG H 1 41 ARG HB2 . . 3.730 3.180 2.065 3.591 . 0 0 "[ . 1 .]" 2
120 1 41 ARG H 1 41 ARG HB3 . . 3.730 2.766 2.430 3.309 . 0 0 "[ . 1 .]" 2
121 1 40 CYS H 1 40 CYS HB3 . . 3.080 2.831 2.784 2.925 . 0 0 "[ . 1 .]" 2
122 1 39 HIS HA 1 40 CYS H . . 3.450 2.591 2.531 2.622 . 0 0 "[ . 1 .]" 2
123 1 36 GLU HA 1 39 HIS H . . 4.230 3.272 3.208 3.305 . 0 0 "[ . 1 .]" 2
124 1 39 HIS QB 1 40 CYS H . . 6.380 3.912 3.910 3.915 . 0 0 "[ . 1 .]" 2
125 1 26 GLU H 1 26 GLU HB3 . . 4.170 3.828 3.807 3.849 . 0 0 "[ . 1 .]" 2
126 1 43 LEU H 1 44 LEU H . . 3.300 2.638 2.599 2.708 . 0 0 "[ . 1 .]" 2
127 1 42 TRP H 1 42 TRP HB2 . . 3.240 2.349 2.345 2.367 . 0 0 "[ . 1 .]" 2
128 1 44 LEU H 1 44 LEU HB2 . . 3.520 2.773 2.770 2.775 . 0 0 "[ . 1 .]" 2
129 1 44 LEU H 1 44 LEU HB3 . . 3.520 3.574 3.572 3.576 0.056 11 0 "[ . 1 .]" 2
130 1 43 LEU H 1 43 LEU HB2 . . 3.300 2.061 2.057 2.065 . 0 0 "[ . 1 .]" 2
131 1 43 LEU H 1 43 LEU HB3 . . 3.300 3.349 3.346 3.360 0.060 8 0 "[ . 1 .]" 2
132 1 42 TRP H 1 42 TRP HB3 . . 3.240 2.725 2.708 2.729 . 0 0 "[ . 1 .]" 2
133 1 41 ARG HB2 1 42 TRP H . . 4.450 3.591 3.097 3.868 . 0 0 "[ . 1 .]" 2
134 1 41 ARG HB3 1 42 TRP H . . 4.450 3.732 2.802 4.081 . 0 0 "[ . 1 .]" 2
135 1 44 LEU H 1 45 GLU H . . 3.240 2.635 2.517 2.697 . 0 0 "[ . 1 .]" 2
136 1 47 GLU H 1 48 GLU H . . 4.200 4.052 3.732 4.172 . 0 0 "[ . 1 .]" 2
137 1 45 GLU HA 1 46 HIS H . . 3.520 3.515 3.513 3.519 . 0 0 "[ . 1 .]" 2
138 1 47 GLU HA 1 48 GLU H . . 2.990 2.244 2.162 2.355 . 0 0 "[ . 1 .]" 2
139 1 46 HIS HA 1 47 GLU H . . 3.240 2.362 2.261 2.575 . 0 0 "[ . 1 .]" 2
140 1 48 GLU HA 1 49 VAL H . . 3.110 2.388 2.157 2.777 . 0 0 "[ . 1 .]" 2
141 1 43 LEU HA 1 46 HIS H . . 4.450 3.742 3.719 3.766 . 0 0 "[ . 1 .]" 2
142 1 42 TRP HA 1 45 GLU H . . 4.380 3.588 3.358 3.706 . 0 0 "[ . 1 .]" 2
143 1 43 LEU HA 1 45 GLU H . . 5.000 4.763 4.399 4.959 . 0 0 "[ . 1 .]" 2
144 1 45 GLU H 1 45 GLU HB2 . . 3.580 3.080 2.062 3.592 0.012 8 0 "[ . 1 .]" 2
145 1 48 GLU H 1 48 GLU HB2 . . 3.950 3.509 2.070 3.849 . 0 0 "[ . 1 .]" 2
146 1 48 GLU H 1 48 GLU HB3 . . 3.950 2.928 2.495 3.972 0.022 3 0 "[ . 1 .]" 2
147 1 47 GLU H 1 47 GLU HB2 . . 3.790 2.822 2.126 3.727 . 0 0 "[ . 1 .]" 2
148 1 47 GLU H 1 47 GLU HB3 . . 3.790 3.348 3.066 3.597 . 0 0 "[ . 1 .]" 2
149 1 45 GLU HB2 1 46 HIS H . . 4.320 3.642 3.230 3.863 . 0 0 "[ . 1 .]" 2
150 1 45 GLU HB3 1 46 HIS H . . 4.320 3.631 3.025 3.950 . 0 0 "[ . 1 .]" 2
151 1 45 GLU H 1 45 GLU HB3 . . 3.580 2.751 2.465 3.284 . 0 0 "[ . 1 .]" 2
152 1 29 CYS HA 1 30 SER H . . 3.480 2.350 2.324 2.363 . 0 0 "[ . 1 .]" 2
153 1 37 ASP HA 1 39 HIS H . . 5.130 3.862 3.840 3.896 . 0 0 "[ . 1 .]" 2
154 1 30 SER HA 1 33 ARG H . . 4.660 3.227 3.196 3.269 . 0 0 "[ . 1 .]" 2
155 1 40 CYS HB3 1 43 LEU H . . 5.000 2.491 2.422 2.575 . 0 0 "[ . 1 .]" 2
156 1 40 CYS HB2 1 43 LEU H . . 5.000 4.228 4.156 4.318 . 0 0 "[ . 1 .]" 2
157 1 36 GLU HA 1 38 HIS H . . 4.760 4.424 4.397 4.432 . 0 0 "[ . 1 .]" 2
158 1 32 HIS H 1 34 LEU H . . 4.880 4.814 4.783 4.834 . 0 0 "[ . 1 .]" 2
159 1 29 CYS H 1 32 HIS H . . 5.500 4.269 4.225 4.358 . 0 0 "[ . 1 .]" 2
160 1 29 CYS H 1 30 SER H . . 5.500 4.647 4.647 4.648 . 0 0 "[ . 1 .]" 2
161 1 31 ASN H 1 32 HIS H . . 3.020 2.650 2.615 2.741 . 0 0 "[ . 1 .]" 2
162 1 29 CYS HA 1 31 ASN H . . 5.410 4.261 4.204 4.460 . 0 0 "[ . 1 .]" 2
163 1 8 CYS HA 1 29 CYS H . . 4.380 2.572 2.505 2.671 . 0 0 "[ . 1 .]" 2
164 1 18 PRO HA 1 28 PHE H . . 5.500 4.074 3.947 4.204 . 0 0 "[ . 1 .]" 2
165 1 24 CYS HB2 1 26 GLU H . . 5.500 4.895 4.873 4.920 . 0 0 "[ . 1 .]" 2
166 1 24 CYS HB3 1 26 GLU H . . 5.500 5.478 5.464 5.502 0.002 15 0 "[ . 1 .]" 2
167 1 15 ASP HB2 1 17 LEU H . . 5.500 4.620 3.040 4.868 . 0 0 "[ . 1 .]" 2
168 1 15 ASP HB3 1 17 LEU H . . 5.500 3.240 2.772 4.773 . 0 0 "[ . 1 .]" 2
169 1 7 HIS HA 1 15 ASP H . . 4.350 3.026 2.970 3.089 . 0 0 "[ . 1 .]" 2
170 1 8 CYS H 1 15 ASP H . . 4.350 4.334 4.268 4.357 0.007 13 0 "[ . 1 .]" 2
171 1 8 CYS H 1 14 LEU HA . . 4.320 4.173 4.102 4.200 . 0 0 "[ . 1 .]" 2
172 1 5 GLY H 1 16 PHE HA . . 5.070 4.959 4.735 5.077 0.007 4 0 "[ . 1 .]" 2
173 1 9 ALA HA 1 11 CYS H . . 5.070 4.749 4.598 4.937 . 0 0 "[ . 1 .]" 2
174 1 8 CYS H 1 12 ARG H . . 4.720 4.117 4.029 4.547 . 0 0 "[ . 1 .]" 2
175 1 19 PHE H 1 29 CYS HA . . 5.500 3.873 3.774 3.940 . 0 0 "[ . 1 .]" 2
176 1 19 PHE QB 1 20 HIS H . . 6.190 3.584 3.508 3.712 . 0 0 "[ . 1 .]" 2
177 1 6 LYS H 1 6 LYS QG . . 4.860 3.982 3.755 4.130 . 0 0 "[ . 1 .]" 2
178 1 2 LEU H 1 2 LEU HG . . 2.860 2.630 2.168 2.885 0.025 6 0 "[ . 1 .]" 2
179 1 10 TYR H 1 28 PHE HD1 . . 3.790 3.157 3.086 3.313 . 0 0 "[ . 1 .]" 2
180 1 10 TYR H 1 28 PHE HE1 . . 3.920 3.952 3.943 3.966 0.046 6 0 "[ . 1 .]" 2
181 1 10 TYR QD 1 11 CYS H . . 7.320 3.921 3.312 4.368 . 0 0 "[ . 1 .]" 2
182 1 12 ARG H 1 12 ARG QD . . 5.890 3.869 2.470 4.660 . 0 0 "[ . 1 .]" 2
183 1 12 ARG H 1 12 ARG HG3 . . 4.200 3.877 2.784 4.205 0.005 7 0 "[ . 1 .]" 2
184 1 13 GLN H 1 13 GLN HG2 . . 4.790 4.354 3.971 4.500 . 0 0 "[ . 1 .]" 2
185 1 14 LEU H 1 14 LEU HG . . 4.420 4.375 4.313 4.425 0.005 6 0 "[ . 1 .]" 2
186 1 17 LEU H 1 17 LEU HG . . 4.140 3.049 1.984 3.889 . 0 0 "[ . 1 .]" 2
187 1 17 LEU H 1 18 PRO QD . . 5.360 3.470 3.426 3.499 . 0 0 "[ . 1 .]" 2
188 1 14 LEU HG 1 15 ASP H . . 4.010 3.607 3.199 3.760 . 0 0 "[ . 1 .]" 2
189 1 21 CYS H 1 28 PHE HD2 . . 5.040 4.173 3.950 4.329 . 0 0 "[ . 1 .]" 2
190 1 28 PHE H 1 28 PHE HD2 . . 3.730 3.492 3.393 3.579 . 0 0 "[ . 1 .]" 2
191 1 26 GLU H 1 26 GLU HG3 . . 3.860 3.847 3.788 3.868 0.008 3 0 "[ . 1 .]" 2
192 1 26 GLU H 1 26 GLU HG2 . . 3.860 3.870 3.846 3.889 0.029 14 0 "[ . 1 .]" 2
193 1 33 ARG H 1 33 ARG HD3 . . 4.970 3.810 3.546 4.401 . 0 0 "[ . 1 .]" 2
194 1 33 ARG H 1 33 ARG HG2 . . 3.700 2.199 2.119 2.357 . 0 0 "[ . 1 .]" 2
195 1 33 ARG H 1 33 ARG HG3 . . 3.700 3.562 3.526 3.606 . 0 0 "[ . 1 .]" 2
196 1 34 LEU H 1 34 LEU HG . . 2.400 1.947 1.938 1.956 . 0 0 "[ . 1 .]" 2
197 1 36 GLU H 1 36 GLU HG2 . . 3.950 2.700 2.114 3.957 0.007 9 0 "[ . 1 .]" 2
198 1 36 GLU H 1 36 GLU HG3 . . 3.950 3.553 2.241 3.916 . 0 0 "[ . 1 .]" 2
199 1 23 PHE QD 1 41 ARG H . . 6.880 6.457 5.926 6.802 . 0 0 "[ . 1 .]" 2
200 1 23 PHE QD 1 40 CYS H . . 6.390 6.452 6.436 6.506 0.116 9 0 "[ . 1 .]" 2
201 1 41 ARG H 1 41 ARG QG . . 4.710 2.520 1.928 3.815 . 0 0 "[ . 1 .]" 2
202 1 42 TRP H 1 42 TRP HE3 . . 4.940 4.964 4.934 4.972 0.032 1 0 "[ . 1 .]" 2
203 1 23 PHE QD 1 42 TRP HE1 . . 7.350 5.637 5.273 6.310 . 0 0 "[ . 1 .]" 2
204 1 42 TRP HE3 1 43 LEU H . . 3.830 3.323 3.182 3.418 . 0 0 "[ . 1 .]" 2
205 1 44 LEU H 1 44 LEU HG . . 2.830 1.944 1.943 1.946 . 0 0 "[ . 1 .]" 2
206 1 43 LEU H 1 43 LEU HG . . 3.360 3.380 3.378 3.382 0.022 14 0 "[ . 1 .]" 2
207 1 47 GLU H 1 47 GLU HG2 . . 4.010 3.119 1.974 3.885 . 0 0 "[ . 1 .]" 2
208 1 48 GLU H 1 48 GLU HG3 . . 4.420 3.481 2.806 4.390 . 0 0 "[ . 1 .]" 2
209 1 48 GLU H 1 48 GLU HG2 . . 4.420 2.388 1.968 4.322 . 0 0 "[ . 1 .]" 2
210 1 47 GLU H 1 47 GLU HG3 . . 4.010 2.915 1.951 4.011 0.001 3 0 "[ . 1 .]" 2
211 1 45 GLU H 1 45 GLU HG3 . . 4.200 3.676 3.514 4.171 . 0 0 "[ . 1 .]" 2
212 1 45 GLU H 1 45 GLU HG2 . . 4.200 2.717 2.115 4.153 . 0 0 "[ . 1 .]" 2
213 1 19 PHE QB 1 28 PHE H . . 6.290 3.382 3.116 3.615 . 0 0 "[ . 1 .]" 2
214 1 19 PHE QE 1 30 SER H . . 7.630 4.219 3.882 5.382 . 0 0 "[ . 1 .]" 2
215 1 19 PHE QD 1 30 SER H . . 7.630 3.539 3.474 4.009 . 0 0 "[ . 1 .]" 2
216 1 8 CYS HB3 1 29 CYS H . . 3.950 3.668 3.531 3.809 . 0 0 "[ . 1 .]" 2
217 1 8 CYS HB2 1 29 CYS H . . 3.950 2.176 1.966 2.355 . 0 0 "[ . 1 .]" 2
218 1 12 ARG H 1 12 ARG HG2 . . 4.200 2.914 2.598 4.299 0.099 15 0 "[ . 1 .]" 2
219 1 13 GLN H 1 13 GLN HG3 . . 4.790 4.304 3.630 4.691 . 0 0 "[ . 1 .]" 2
220 1 33 ARG H 1 33 ARG HD2 . . 4.970 4.447 3.703 4.854 . 0 0 "[ . 1 .]" 2
221 1 6 LYS H 1 18 PRO QD . . 5.890 2.797 2.714 2.894 . 0 0 "[ . 1 .]" 2
222 1 22 SER H 1 23 PHE QD . . 7.630 4.103 4.066 4.366 . 0 0 "[ . 1 .]" 2
223 1 4 VAL QG 1 5 GLY H . . 6.610 3.580 3.248 3.649 . 0 0 "[ . 1 .]" 2
224 1 9 ALA MB 1 10 TYR H . . 4.690 3.521 3.500 3.572 . 0 0 "[ . 1 .]" 2
225 1 34 LEU H 1 34 LEU MD1 . . 4.910 3.568 3.513 3.587 . 0 0 "[ . 1 .]" 2
226 1 34 LEU H 1 34 LEU MD2 . . 4.910 2.835 2.712 3.015 . 0 0 "[ . 1 .]" 2
227 1 44 LEU H 1 44 LEU MD1 . . 4.810 3.604 3.600 3.609 . 0 0 "[ . 1 .]" 2
228 1 44 LEU H 1 44 LEU MD2 . . 4.810 2.622 2.581 2.688 . 0 0 "[ . 1 .]" 2
229 1 43 LEU H 1 43 LEU MD2 . . 4.940 4.085 4.053 4.223 . 0 0 "[ . 1 .]" 2
230 1 43 LEU H 1 43 LEU MD1 . . 4.940 3.933 3.743 3.970 . 0 0 "[ . 1 .]" 2
231 1 44 LEU MD1 1 45 GLU H . . 6.520 4.271 4.111 4.536 . 0 0 "[ . 1 .]" 2
232 1 44 LEU MD2 1 45 GLU H . . 6.520 4.376 4.348 4.421 . 0 0 "[ . 1 .]" 2
233 1 9 ALA MB 1 27 ASP H . . 4.810 3.775 3.677 4.035 . 0 0 "[ . 1 .]" 2
234 1 3 ASP H 1 4 VAL QG . . 7.600 3.730 3.173 4.424 . 0 0 "[ . 1 .]" 2
235 1 2 LEU QD 1 3 ASP H . . 6.820 4.068 3.406 4.544 . 0 0 "[ . 1 .]" 2
236 1 8 CYS HA 1 28 PHE HA . . 2.830 2.037 1.997 2.201 . 0 0 "[ . 1 .]" 2
237 1 28 PHE HA 1 29 CYS HA . . 4.510 4.320 4.308 4.325 . 0 0 "[ . 1 .]" 2
238 1 20 HIS HA 1 27 ASP HA . . 2.800 2.753 2.588 2.807 0.007 15 0 "[ . 1 .]" 2
239 1 18 PRO HA 1 29 CYS HA . . 3.580 3.496 3.304 3.596 0.016 14 0 "[ . 1 .]" 2
240 1 24 CYS HA 1 24 CYS HB2 . . 2.830 2.456 2.452 2.466 . 0 0 "[ . 1 .]" 2
241 1 24 CYS HA 1 24 CYS HB3 . . 2.830 2.450 2.441 2.454 . 0 0 "[ . 1 .]" 2
242 1 17 LEU HA 1 17 LEU HB2 . . 2.800 2.751 2.501 2.902 0.102 5 0 "[ . 1 .]" 2
243 1 17 LEU HA 1 17 LEU HB3 . . 2.800 2.558 2.245 2.779 . 0 0 "[ . 1 .]" 2
244 1 6 LYS HA 1 6 LYS HB2 . . 2.650 2.848 2.837 2.855 0.205 9 0 "[ . 1 .]" 2
245 1 5 GLY HA3 1 16 PHE HA . . 3.240 3.045 2.889 3.246 0.006 2 0 "[ . 1 .]" 2
246 1 7 HIS HA 1 14 LEU HA . . 2.490 2.522 2.508 2.533 0.043 6 0 "[ . 1 .]" 2
247 1 25 ASN HA 1 25 ASN HB2 . . 2.860 2.658 2.654 2.660 . 0 0 "[ . 1 .]" 2
248 1 25 ASN HA 1 25 ASN HB3 . . 2.860 2.984 2.982 2.985 0.125 9 0 "[ . 1 .]" 2
249 1 47 GLU HA 1 47 GLU HB3 . . 2.990 2.538 2.353 2.769 . 0 0 "[ . 1 .]" 2
250 1 47 GLU HA 1 47 GLU HB2 . . 2.990 2.795 2.514 3.014 0.024 7 0 "[ . 1 .]" 2
251 1 4 VAL HA 1 4 VAL HB . . 2.770 2.504 2.497 2.541 . 0 0 "[ . 1 .]" 2
252 1 41 ARG HA 1 41 ARG HB2 . . 2.710 2.584 2.416 2.852 0.142 10 0 "[ . 1 .]" 2
253 1 41 ARG HA 1 41 ARG HB3 . . 2.710 2.529 2.351 2.853 0.143 11 0 "[ . 1 .]" 2
254 1 45 GLU HA 1 45 GLU HB2 . . 2.710 2.566 2.416 2.849 0.139 3 0 "[ . 1 .]" 2
255 1 38 HIS HA 1 38 HIS HB2 . . 3.020 2.458 2.443 2.470 . 0 0 "[ . 1 .]" 2
256 1 30 SER HA 1 33 ARG HB3 . . 3.640 1.994 1.982 2.084 . 0 0 "[ . 1 .]" 2
257 1 5 GLY HA2 1 16 PHE HA . . 3.240 3.073 2.901 3.242 0.002 10 0 "[ . 1 .]" 2
258 1 33 ARG HA 1 33 ARG HB3 . . 2.990 2.464 2.443 2.505 . 0 0 "[ . 1 .]" 2
259 1 38 HIS HA 1 38 HIS HB3 . . 3.020 2.449 2.436 2.465 . 0 0 "[ . 1 .]" 2
260 1 35 LYS HA 1 35 LYS HB2 . . 2.800 2.882 2.872 2.899 0.099 12 0 "[ . 1 .]" 2
261 1 35 LYS HA 1 35 LYS HB3 . . 2.800 2.817 2.796 2.827 0.027 2 0 "[ . 1 .]" 2
262 1 48 GLU HA 1 48 GLU HB2 . . 2.830 2.521 2.392 2.850 0.020 4 0 "[ . 1 .]" 2
263 1 48 GLU HA 1 48 GLU HB3 . . 2.830 2.483 2.361 2.863 0.033 3 0 "[ . 1 .]" 2
264 1 44 LEU HA 1 44 LEU HB2 . . 2.860 2.990 2.989 2.991 0.131 1 0 "[ . 1 .]" 2
265 1 45 GLU HA 1 45 GLU HB3 . . 2.710 2.597 2.455 2.851 0.141 3 0 "[ . 1 .]" 2
266 1 44 LEU HA 1 44 LEU HB3 . . 2.860 2.321 2.320 2.323 . 0 0 "[ . 1 .]" 2
267 1 33 ARG HA 1 33 ARG HB2 . . 2.990 2.432 2.394 2.452 . 0 0 "[ . 1 .]" 2
268 1 6 LYS HA 1 6 LYS HB3 . . 2.650 2.854 2.846 2.863 0.213 14 0 "[ . 1 .]" 2
269 1 30 SER HA 1 33 ARG HB2 . . 3.640 3.647 3.594 3.658 0.018 9 0 "[ . 1 .]" 2
270 1 22 SER HA 1 22 SER HB2 . . 2.990 2.761 2.675 2.938 . 0 0 "[ . 1 .]" 2
271 1 22 SER HA 1 22 SER HB3 . . 2.990 2.918 2.746 2.979 . 0 0 "[ . 1 .]" 2
272 1 11 CYS HB2 1 32 HIS HE1 . . 3.890 3.090 3.006 3.320 . 0 0 "[ . 1 .]" 2
273 1 31 ASN QB 1 32 HIS HE1 . . 6.350 4.151 4.002 4.490 . 0 0 "[ . 1 .]" 2
274 1 20 HIS HE1 1 25 ASN HA . . 3.580 3.421 3.010 3.575 . 0 0 "[ . 1 .]" 2
275 1 19 PHE QE 1 33 ARG HA . . 7.630 5.268 4.807 5.431 . 0 0 "[ . 1 .]" 2
276 1 28 PHE HD2 1 38 HIS HE1 . . 4.970 3.821 3.678 4.089 . 0 0 "[ . 1 .]" 2
277 1 35 LYS HA 1 38 HIS HE1 . . 3.420 2.285 2.127 2.339 . 0 0 "[ . 1 .]" 2
278 1 35 LYS HG2 1 38 HIS HE1 . . 5.130 3.338 2.950 3.976 . 0 0 "[ . 1 .]" 2
279 1 35 LYS HG3 1 38 HIS HE1 . . 5.130 4.076 3.397 4.432 . 0 0 "[ . 1 .]" 2
280 1 35 LYS HB3 1 38 HIS HE1 . . 5.500 4.994 4.820 5.076 . 0 0 "[ . 1 .]" 2
281 1 16 PHE QD 1 17 LEU HB2 . . 7.630 5.646 4.795 6.603 . 0 0 "[ . 1 .]" 2
282 1 16 PHE QD 1 17 LEU HB3 . . 7.630 6.039 5.522 6.411 . 0 0 "[ . 1 .]" 2
283 1 42 TRP HE3 1 43 LEU HA . . 3.450 2.495 2.394 2.559 . 0 0 "[ . 1 .]" 2
284 1 42 TRP HB2 1 42 TRP HE3 . . 3.920 4.150 4.148 4.154 0.234 14 0 "[ . 1 .]" 2
285 1 35 LYS HE2 1 42 TRP HE3 . . 5.500 3.654 2.405 4.321 . 0 0 "[ . 1 .]" 2
286 1 35 LYS HE3 1 42 TRP HE3 . . 5.500 2.675 2.252 4.261 . 0 0 "[ . 1 .]" 2
287 1 42 TRP HE3 1 43 LEU HG . . 3.480 3.198 3.006 3.333 . 0 0 "[ . 1 .]" 2
288 1 35 LYS HD2 1 42 TRP HE3 . . 4.910 3.978 3.434 4.926 0.016 14 0 "[ . 1 .]" 2
289 1 7 HIS HD2 1 14 LEU HA . . 5.310 2.783 2.698 2.877 . 0 0 "[ . 1 .]" 2
290 1 23 PHE QE 1 35 LYS HE3 . . 7.630 4.105 2.141 4.698 . 0 0 "[ . 1 .]" 2
291 1 32 HIS HD2 1 37 ASP HB3 . . 4.790 2.417 2.132 2.598 . 0 0 "[ . 1 .]" 2
292 1 28 PHE HZ 1 38 HIS HD2 . . 3.790 3.593 3.387 3.704 . 0 0 "[ . 1 .]" 2
293 1 26 GLU HB2 1 28 PHE HZ . . 4.040 2.633 2.537 2.833 . 0 0 "[ . 1 .]" 2
294 1 26 GLU HB3 1 28 PHE HZ . . 4.040 2.595 2.476 2.811 . 0 0 "[ . 1 .]" 2
295 1 20 HIS HD2 1 22 SER HA . . 4.070 3.513 3.216 3.684 . 0 0 "[ . 1 .]" 2
296 1 35 LYS HE2 1 42 TRP HZ3 . . 4.850 4.490 3.402 4.854 0.004 5 0 "[ . 1 .]" 2
297 1 35 LYS HE3 1 42 TRP HZ3 . . 4.850 3.864 3.190 4.861 0.011 14 0 "[ . 1 .]" 2
298 1 42 TRP HZ3 1 43 LEU HG . . 5.340 4.309 4.041 4.518 . 0 0 "[ . 1 .]" 2
299 1 45 GLU HB3 1 46 HIS HD2 . . 5.500 4.237 2.004 5.367 . 0 0 "[ . 1 .]" 2
300 1 28 PHE HE2 1 38 HIS HE1 . . 4.970 4.257 4.137 4.492 . 0 0 "[ . 1 .]" 2
301 1 21 CYS HB2 1 28 PHE HE2 . . 3.920 3.159 2.942 3.342 . 0 0 "[ . 1 .]" 2
302 1 23 PHE QD 1 35 LYS HE2 . . 7.630 4.326 3.702 4.542 . 0 0 "[ . 1 .]" 2
303 1 10 TYR QD 1 32 HIS HE1 . . 7.630 3.491 2.832 4.109 . 0 0 "[ . 1 .]" 2
304 1 10 TYR QD 1 39 HIS QB . . 8.510 4.381 3.596 5.109 . 0 0 "[ . 1 .]" 2
305 1 10 TYR QD 1 11 CYS HB3 . . 7.630 3.261 2.459 4.011 . 0 0 "[ . 1 .]" 2
306 1 27 ASP HA 1 28 PHE HD2 . . 5.500 3.842 3.695 3.923 . 0 0 "[ . 1 .]" 2
307 1 28 PHE HA 1 28 PHE HD1 . . 4.170 2.727 2.675 2.807 . 0 0 "[ . 1 .]" 2
308 1 18 PRO HB2 1 27 ASP HA . . 5.500 3.979 3.767 4.201 . 0 0 "[ . 1 .]" 2
309 1 18 PRO HB3 1 27 ASP HA . . 5.500 5.169 4.948 5.390 . 0 0 "[ . 1 .]" 2
310 1 19 PHE QD 1 29 CYS HA . . 7.630 4.183 3.990 4.867 . 0 0 "[ . 1 .]" 2
311 1 16 PHE QD 1 29 CYS HA . . 7.630 7.652 7.643 7.682 0.052 14 0 "[ . 1 .]" 2
312 1 15 ASP HB2 1 29 CYS HA . . 4.110 2.993 2.862 3.667 . 0 0 "[ . 1 .]" 2
313 1 15 ASP HB3 1 29 CYS HA . . 4.110 3.417 3.134 3.760 . 0 0 "[ . 1 .]" 2
314 1 20 HIS HA 1 27 ASP HB3 . . 5.500 4.460 3.918 4.973 . 0 0 "[ . 1 .]" 2
315 1 24 CYS HA 1 41 ARG QD . . 6.380 3.422 2.195 5.444 . 0 0 "[ . 1 .]" 2
316 1 24 CYS HA 1 41 ARG QG . . 6.380 3.961 2.899 6.266 . 0 0 "[ . 1 .]" 2
317 1 32 HIS HA 1 32 HIS HD2 . . 3.950 2.671 2.507 2.766 . 0 0 "[ . 1 .]" 2
318 1 32 HIS HA 1 37 ASP HB2 . . 4.200 3.071 3.032 3.110 . 0 0 "[ . 1 .]" 2
319 1 32 HIS HA 1 37 ASP HB3 . . 4.200 2.024 1.993 2.075 . 0 0 "[ . 1 .]" 2
320 1 15 ASP HA 1 16 PHE QD . . 7.630 3.511 3.472 3.528 . 0 0 "[ . 1 .]" 2
321 1 17 LEU HA 1 18 PRO QD . . 3.970 1.941 1.933 1.948 . 0 0 "[ . 1 .]" 2
322 1 17 LEU HA 1 18 PRO HG2 . . 4.380 4.149 4.145 4.153 . 0 0 "[ . 1 .]" 2
323 1 17 LEU HA 1 18 PRO HG3 . . 4.380 4.542 4.532 4.551 0.171 12 0 "[ . 1 .]" 2
324 1 26 GLU HA 1 26 GLU HG2 . . 3.890 2.251 2.240 2.266 . 0 0 "[ . 1 .]" 2
325 1 26 GLU HA 1 26 GLU HG3 . . 3.890 3.450 3.430 3.465 . 0 0 "[ . 1 .]" 2
326 1 32 HIS HD2 1 37 ASP HA . . 5.500 3.091 2.828 3.199 . 0 0 "[ . 1 .]" 2
327 1 18 PRO HA 1 19 PHE QD . . 7.630 3.850 3.648 4.620 . 0 0 "[ . 1 .]" 2
328 1 6 LYS HB2 1 18 PRO HA . . 4.540 4.489 4.450 4.541 0.001 14 0 "[ . 1 .]" 2
329 1 6 LYS HB3 1 18 PRO HA . . 4.540 4.402 4.362 4.437 . 0 0 "[ . 1 .]" 2
330 1 7 HIS HA 1 7 HIS HD2 . . 4.350 3.676 3.670 3.687 . 0 0 "[ . 1 .]" 2
331 1 42 TRP HA 1 42 TRP HD1 . . 4.420 3.327 3.319 3.341 . 0 0 "[ . 1 .]" 2
332 1 42 TRP HA 1 46 HIS HD2 . . 5.500 4.842 3.925 5.409 . 0 0 "[ . 1 .]" 2
333 1 42 TRP HA 1 42 TRP HE3 . . 4.170 4.218 4.212 4.243 0.073 14 0 "[ . 1 .]" 2
334 1 20 HIS HD2 1 25 ASN HA . . 5.500 4.747 4.078 5.115 . 0 0 "[ . 1 .]" 2
335 1 44 LEU HA 1 44 LEU HG . . 3.450 3.462 3.460 3.463 0.013 2 0 "[ . 1 .]" 2
336 1 7 HIS HD2 1 12 ARG HA . . 5.250 5.277 5.273 5.280 0.030 14 0 "[ . 1 .]" 2
337 1 12 ARG HA 1 12 ARG HD3 . . 4.170 3.610 3.026 4.181 0.011 5 0 "[ . 1 .]" 2
338 1 19 PHE QD 1 30 SER HB2 . . 7.630 4.180 3.357 4.771 . 0 0 "[ . 1 .]" 2
339 1 38 HIS HA 1 39 HIS HD2 . . 5.500 3.777 3.127 5.243 . 0 0 "[ . 1 .]" 2
340 1 10 TYR QE 1 38 HIS HA . . 7.630 4.309 3.768 4.801 . 0 0 "[ . 1 .]" 2
341 1 10 TYR QD 1 38 HIS HA . . 7.630 3.411 2.730 3.843 . 0 0 "[ . 1 .]" 2
342 1 32 HIS HD2 1 38 HIS HA . . 5.500 4.676 4.367 5.026 . 0 0 "[ . 1 .]" 2
343 1 19 PHE QD 1 30 SER HB3 . . 7.630 3.785 3.232 4.718 . 0 0 "[ . 1 .]" 2
344 1 42 TRP HZ3 1 43 LEU HA . . 5.280 3.684 3.555 3.784 . 0 0 "[ . 1 .]" 2
345 1 19 PHE QE 1 30 SER HA . . 7.230 2.721 2.568 3.286 . 0 0 "[ . 1 .]" 2
346 1 19 PHE QD 1 30 SER HA . . 7.160 2.336 2.221 2.452 . 0 0 "[ . 1 .]" 2
347 1 33 ARG HA 1 38 HIS HE1 . . 5.500 5.106 4.974 5.353 . 0 0 "[ . 1 .]" 2
348 1 19 PHE QD 1 33 ARG HA . . 6.950 3.842 3.575 3.954 . 0 0 "[ . 1 .]" 2
349 1 19 PHE QB 1 33 ARG HA . . 5.300 2.441 2.385 2.482 . 0 0 "[ . 1 .]" 2
350 1 10 TYR QD 1 11 CYS HB2 . . 7.630 4.793 4.008 5.534 . 0 0 "[ . 1 .]" 2
351 1 10 TYR HB2 1 28 PHE HD1 . . 4.880 3.216 3.000 3.433 . 0 0 "[ . 1 .]" 2
352 1 42 TRP HB3 1 42 TRP HE3 . . 3.920 2.638 2.632 2.645 . 0 0 "[ . 1 .]" 2
353 1 10 TYR QE 1 39 HIS QB . . 8.510 3.728 2.654 4.982 . 0 0 "[ . 1 .]" 2
354 1 28 PHE HE1 1 38 HIS HB2 . . 4.070 2.983 2.879 3.199 . 0 0 "[ . 1 .]" 2
355 1 19 PHE QB 1 30 SER HA . . 6.380 3.663 3.426 3.774 . 0 0 "[ . 1 .]" 2
356 1 21 CYS HB3 1 28 PHE HE2 . . 3.920 3.768 3.433 3.910 . 0 0 "[ . 1 .]" 2
357 1 10 TYR HB3 1 28 PHE HD1 . . 4.880 3.775 3.503 4.138 . 0 0 "[ . 1 .]" 2
358 1 32 HIS HD2 1 37 ASP HB2 . . 4.790 4.009 3.715 4.158 . 0 0 "[ . 1 .]" 2
359 1 7 HIS HB2 1 12 ARG HA . . 3.700 3.769 3.763 3.780 0.080 14 0 "[ . 1 .]" 2
360 1 11 CYS HB3 1 32 HIS HE1 . . 3.890 1.967 1.963 1.974 . 0 0 "[ . 1 .]" 2
361 1 7 HIS HB3 1 12 ARG HA . . 3.700 2.972 2.951 2.992 . 0 0 "[ . 1 .]" 2
362 1 28 PHE HE1 1 38 HIS HB3 . . 4.070 3.899 3.752 4.081 0.011 14 0 "[ . 1 .]" 2
363 1 35 LYS HA 1 35 LYS HG2 . . 3.790 2.212 2.032 2.667 . 0 0 "[ . 1 .]" 2
364 1 23 PHE QE 1 35 LYS HE2 . . 7.630 4.245 3.160 5.081 . 0 0 "[ . 1 .]" 2
365 1 26 GLU HG2 1 28 PHE HZ . . 5.500 4.543 4.469 4.750 . 0 0 "[ . 1 .]" 2
366 1 26 GLU HG3 1 28 PHE HZ . . 5.500 3.641 3.560 3.785 . 0 0 "[ . 1 .]" 2
367 1 23 PHE QD 1 35 LYS HE3 . . 7.630 3.830 2.672 4.428 . 0 0 "[ . 1 .]" 2
368 1 33 ARG HG2 1 34 LEU HG . . 3.240 2.898 2.793 3.014 . 0 0 "[ . 1 .]" 2
369 1 12 ARG HA 1 12 ARG HG3 . . 3.860 3.595 2.512 3.832 . 0 0 "[ . 1 .]" 2
370 1 35 LYS HA 1 35 LYS HD2 . . 5.500 4.065 3.665 4.593 . 0 0 "[ . 1 .]" 2
371 1 35 LYS QD 1 42 TRP HZ3 . . 6.380 4.961 4.749 5.571 . 0 0 "[ . 1 .]" 2
372 1 35 LYS HA 1 35 LYS HD3 . . 5.500 4.354 4.207 4.437 . 0 0 "[ . 1 .]" 2
373 1 23 PHE QD 1 35 LYS HD3 . . 7.630 2.581 1.999 4.242 . 0 0 "[ . 1 .]" 2
374 1 33 ARG HG3 1 34 LEU HG . . 3.240 3.227 3.173 3.247 0.007 5 0 "[ . 1 .]" 2
375 1 35 LYS HD3 1 42 TRP HE3 . . 4.910 4.110 3.617 4.800 . 0 0 "[ . 1 .]" 2
376 1 11 CYS HA 1 12 ARG HG3 . . 5.500 4.638 3.910 5.320 . 0 0 "[ . 1 .]" 2
377 1 11 CYS HA 1 12 ARG HG2 . . 5.500 4.450 3.941 5.551 0.051 15 0 "[ . 1 .]" 2
378 1 20 HIS HA 1 27 ASP HB2 . . 5.500 5.119 4.651 5.502 0.002 8 0 "[ . 1 .]" 2
379 1 11 CYS HA 1 32 HIS HE1 . . 5.500 4.467 4.441 4.516 . 0 0 "[ . 1 .]" 2
380 1 19 PHE QE 1 33 ARG HD2 . . 7.630 2.994 2.764 3.285 . 0 0 "[ . 1 .]" 2
381 1 23 PHE QD 1 35 LYS HD2 . . 7.630 3.243 2.390 3.578 . 0 0 "[ . 1 .]" 2
382 1 35 LYS HB2 1 38 HIS HE1 . . 5.500 4.931 4.810 4.990 . 0 0 "[ . 1 .]" 2
383 1 45 GLU HB2 1 46 HIS HD2 . . 5.500 3.738 3.014 4.726 . 0 0 "[ . 1 .]" 2
384 1 19 PHE QE 1 33 ARG HD3 . . 7.630 3.388 2.758 4.268 . 0 0 "[ . 1 .]" 2
385 1 10 TYR QD 1 11 CYS HA . . 7.630 4.274 3.557 4.977 . 0 0 "[ . 1 .]" 2
386 1 12 ARG HA 1 12 ARG HG2 . . 3.860 2.770 2.187 3.629 . 0 0 "[ . 1 .]" 2
387 1 12 ARG HA 1 12 ARG HD2 . . 4.170 3.290 2.451 4.136 . 0 0 "[ . 1 .]" 2
388 1 35 LYS HA 1 35 LYS HG3 . . 3.790 2.894 2.361 3.200 . 0 0 "[ . 1 .]" 2
389 1 38 HIS HD2 1 40 CYS HA . . 2.460 2.328 2.268 2.463 0.003 8 0 "[ . 1 .]" 2
390 1 31 ASN QB 1 32 HIS HD2 . . 6.380 4.809 4.692 4.949 . 0 0 "[ . 1 .]" 2
391 1 10 TYR QD 1 32 HIS HD2 . . 7.630 4.255 3.241 5.146 . 0 0 "[ . 1 .]" 2
392 1 9 ALA MB 1 28 PHE HE1 . . 4.910 1.954 1.938 1.979 . 0 0 "[ . 1 .]" 2
393 1 23 PHE QD 1 43 LEU MD1 . . 8.650 5.697 5.242 6.092 . 0 0 "[ . 1 .]" 2
394 1 9 ALA MB 1 28 PHE HA . . 6.520 4.050 3.977 4.228 . 0 0 "[ . 1 .]" 2
395 1 9 ALA MB 1 26 GLU HA . . 6.520 4.869 4.747 5.031 . 0 0 "[ . 1 .]" 2
396 1 4 VAL QG 1 16 PHE HA . . 7.200 5.009 3.603 6.026 . 0 0 "[ . 1 .]" 2
397 1 44 LEU HA 1 44 LEU MD1 . . 4.380 3.899 3.890 3.908 . 0 0 "[ . 1 .]" 2
398 1 44 LEU HA 1 44 LEU MD2 . . 4.380 2.262 2.154 2.343 . 0 0 "[ . 1 .]" 2
399 1 43 LEU HA 1 43 LEU MD2 . . 4.750 2.150 2.042 2.354 . 0 0 "[ . 1 .]" 2
400 1 43 LEU HA 1 43 LEU MD1 . . 4.750 3.779 3.768 3.783 . 0 0 "[ . 1 .]" 2
401 1 9 ALA MB 1 28 PHE HZ . . 5.250 3.194 3.137 3.247 . 0 0 "[ . 1 .]" 2
402 1 9 ALA MB 1 28 PHE HE2 . . 6.120 4.631 4.582 4.752 . 0 0 "[ . 1 .]" 2
403 1 4 VAL QG 1 16 PHE QD . . 9.730 4.758 3.128 5.837 . 0 0 "[ . 1 .]" 2
404 1 7 HIS HA 1 14 LEU MD1 . . 6.120 4.811 3.629 5.467 . 0 0 "[ . 1 .]" 2
405 1 7 HIS HA 1 14 LEU MD2 . . 6.120 5.410 4.921 5.952 . 0 0 "[ . 1 .]" 2
406 1 9 ALA MB 1 28 PHE HD1 . . 6.520 2.984 2.924 3.084 . 0 0 "[ . 1 .]" 2
407 1 23 PHE QD 1 43 LEU MD2 . . 8.650 6.507 5.675 7.149 . 0 0 "[ . 1 .]" 2
408 1 1 MET HA 1 1 MET QB . . 2.630 2.356 2.174 2.532 . 0 0 "[ . 1 .]" 2
409 1 1 MET HA 1 1 MET QG . . 3.740 2.631 2.157 3.346 . 0 0 "[ . 1 .]" 2
410 1 1 MET QB 1 2 LEU H . . 4.070 3.185 2.288 3.969 . 0 0 "[ . 1 .]" 2
411 1 2 LEU H 1 2 LEU QB . . 3.260 3.001 2.799 3.259 . 0 0 "[ . 1 .]" 2
412 1 2 LEU HA 1 2 LEU QB . . 2.540 2.213 2.152 2.270 . 0 0 "[ . 1 .]" 2
413 1 2 LEU QB 1 3 ASP H . . 3.560 2.920 1.946 3.498 . 0 0 "[ . 1 .]" 2
414 1 3 ASP QB 1 4 VAL H . . 3.930 3.836 3.669 3.916 . 0 0 "[ . 1 .]" 2
415 1 5 GLY QA 1 6 LYS H . . 2.970 2.165 2.110 2.238 . 0 0 "[ . 1 .]" 2
416 1 5 GLY QA 1 14 LEU QD . . 5.410 2.871 2.473 3.563 . 0 0 "[ . 1 .]" 2
417 1 5 GLY QA 1 16 PHE HA . . 2.710 2.712 2.700 2.717 0.007 15 0 "[ . 1 .]" 2
418 1 5 GLY QA 1 16 PHE QD . . 6.720 4.484 4.388 4.560 . 0 0 "[ . 1 .]" 2
419 1 6 LYS H 1 6 LYS QD . . 4.940 3.656 3.244 4.491 . 0 0 "[ . 1 .]" 2
420 1 6 LYS H 1 14 LEU QD . . 5.580 4.546 4.019 5.057 . 0 0 "[ . 1 .]" 2
421 1 6 LYS HA 1 6 LYS QD . . 4.290 2.799 2.115 3.935 . 0 0 "[ . 1 .]" 2
422 1 6 LYS HA 1 14 LEU QD . . 6.420 4.791 4.029 5.194 . 0 0 "[ . 1 .]" 2
423 1 6 LYS QB 1 18 PRO HA . . 3.940 3.959 3.954 3.971 0.031 14 0 "[ . 1 .]" 2
424 1 6 LYS QB 1 18 PRO QD . . 6.170 3.465 3.371 3.540 . 0 0 "[ . 1 .]" 2
425 1 7 HIS H 1 7 HIS QB . . 3.260 2.601 2.593 2.611 . 0 0 "[ . 1 .]" 2
426 1 7 HIS HA 1 14 LEU QB . . 4.610 4.339 4.224 4.431 . 0 0 "[ . 1 .]" 2
427 1 7 HIS HA 1 14 LEU QD . . 5.180 4.337 3.595 4.664 . 0 0 "[ . 1 .]" 2
428 1 7 HIS QB 1 7 HIS HD2 . . 3.440 2.668 2.667 2.671 . 0 0 "[ . 1 .]" 2
429 1 7 HIS QB 1 8 CYS H . . 4.110 2.988 2.960 3.069 . 0 0 "[ . 1 .]" 2
430 1 7 HIS QB 1 12 ARG HA . . 3.100 2.867 2.851 2.884 . 0 0 "[ . 1 .]" 2
431 1 7 HIS QB 1 13 GLN H . . 4.760 3.391 3.289 3.483 . 0 0 "[ . 1 .]" 2
432 1 7 HIS HD2 1 14 LEU QD . . 6.420 2.926 2.724 3.105 . 0 0 "[ . 1 .]" 2
433 1 8 CYS H 1 29 CYS QB . . 4.440 3.346 3.254 3.478 . 0 0 "[ . 1 .]" 2
434 1 8 CYS HA 1 28 PHE QB . . 5.340 3.914 3.785 4.104 . 0 0 "[ . 1 .]" 2
435 1 8 CYS QB 1 11 CYS H . . 3.850 2.442 2.382 2.533 . 0 0 "[ . 1 .]" 2
436 1 8 CYS QB 1 12 ARG H . . 3.300 1.980 1.921 2.656 . 0 0 "[ . 1 .]" 2
437 1 8 CYS QB 1 13 GLN H . . 2.930 1.973 1.881 2.007 . 0 0 "[ . 1 .]" 2
438 1 8 CYS QB 1 29 CYS H . . 3.100 2.161 1.956 2.334 . 0 0 "[ . 1 .]" 2
439 1 8 CYS QB 1 29 CYS HA . . 5.340 3.999 3.801 4.084 . 0 0 "[ . 1 .]" 2
440 1 8 CYS QB 1 29 CYS QB . . 3.040 2.062 1.977 2.122 . 0 0 "[ . 1 .]" 2
441 1 9 ALA MB 1 26 GLU QB . . 5.170 3.140 3.032 3.304 . 0 0 "[ . 1 .]" 2
442 1 9 ALA MB 1 26 GLU QG . . 5.480 4.368 4.259 4.476 . 0 0 "[ . 1 .]" 2
443 1 9 ALA MB 1 27 ASP QB . . 6.170 4.472 4.176 4.975 . 0 0 "[ . 1 .]" 2
444 1 10 TYR H 1 10 TYR QB . . 3.110 2.596 2.568 2.610 . 0 0 "[ . 1 .]" 2
445 1 10 TYR QB 1 11 CYS H . . 3.320 2.543 2.412 2.604 . 0 0 "[ . 1 .]" 2
446 1 10 TYR QB 1 28 PHE HE1 . . 3.910 3.160 3.119 3.196 . 0 0 "[ . 1 .]" 2
447 1 10 TYR QD 1 38 HIS QB . . 7.320 3.994 3.331 4.583 . 0 0 "[ . 1 .]" 2
448 1 11 CYS QB 1 32 HIS HE1 . . 3.210 1.946 1.940 1.957 . 0 0 "[ . 1 .]" 2
449 1 12 ARG H 1 12 ARG QG . . 3.650 2.679 2.565 3.105 . 0 0 "[ . 1 .]" 2
450 1 12 ARG HA 1 12 ARG QG . . 3.240 2.572 2.166 2.765 . 0 0 "[ . 1 .]" 2
451 1 12 ARG HA 1 12 ARG QD . . 3.440 2.933 2.426 3.526 0.086 15 0 "[ . 1 .]" 2
452 1 13 GLN H 1 13 GLN QB . . 3.080 2.416 2.383 2.434 . 0 0 "[ . 1 .]" 2
453 1 13 GLN HA 1 13 GLN QB . . 2.630 2.370 2.298 2.529 . 0 0 "[ . 1 .]" 2
454 1 13 GLN QB 1 14 LEU H . . 3.770 3.742 3.531 3.865 0.095 2 0 "[ . 1 .]" 2
455 1 13 GLN QG 1 14 LEU H . . 3.940 3.214 2.827 3.956 0.016 14 0 "[ . 1 .]" 2
456 1 14 LEU HA 1 14 LEU QD . . 4.250 2.692 1.981 3.023 . 0 0 "[ . 1 .]" 2
457 1 14 LEU QD 1 15 ASP H . . 4.570 3.233 2.891 3.868 . 0 0 "[ . 1 .]" 2
458 1 14 LEU QD 1 16 PHE QE . . 8.440 4.035 3.735 4.565 . 0 0 "[ . 1 .]" 2
459 1 14 LEU QD 1 16 PHE HZ . . 5.740 4.410 3.904 5.037 . 0 0 "[ . 1 .]" 2
460 1 15 ASP H 1 15 ASP QB . . 3.530 2.446 2.351 2.906 . 0 0 "[ . 1 .]" 2
461 1 15 ASP QB 1 29 CYS HA . . 3.540 2.794 2.703 2.966 . 0 0 "[ . 1 .]" 2
462 1 16 PHE H 1 16 PHE QB . . 3.390 2.584 2.556 2.615 . 0 0 "[ . 1 .]" 2
463 1 17 LEU HA 1 17 LEU QD . . 3.830 2.823 2.213 3.460 . 0 0 "[ . 1 .]" 2
464 1 17 LEU HA 1 18 PRO QG . . 3.850 3.844 3.839 3.850 . 0 0 "[ . 1 .]" 2
465 1 17 LEU QB 1 18 PRO QD . . 6.170 3.669 3.556 3.762 . 0 0 "[ . 1 .]" 2
466 1 17 LEU QD 1 18 PRO HA . . 5.070 4.827 4.038 5.064 . 0 0 "[ . 1 .]" 2
467 1 17 LEU QD 1 18 PRO QD . . 6.650 3.640 3.025 4.302 . 0 0 "[ . 1 .]" 2
468 1 19 PHE QB 1 33 ARG QB . . 5.300 2.475 2.333 2.864 . 0 0 "[ . 1 .]" 2
469 1 19 PHE QB 1 33 ARG QG . . 6.160 4.276 4.147 4.613 . 0 0 "[ . 1 .]" 2
470 1 19 PHE QD 1 33 ARG QB . . 6.660 2.509 2.481 2.562 . 0 0 "[ . 1 .]" 2
471 1 19 PHE QD 1 33 ARG QG . . 7.320 4.189 4.122 4.344 . 0 0 "[ . 1 .]" 2
472 1 19 PHE QE 1 30 SER QB . . 6.360 2.325 2.042 4.029 . 0 0 "[ . 1 .]" 2
473 1 19 PHE QE 1 33 ARG QB . . 7.310 3.168 2.881 3.290 . 0 0 "[ . 1 .]" 2
474 1 20 HIS H 1 20 HIS QB . . 3.540 2.273 2.260 2.285 . 0 0 "[ . 1 .]" 2
475 1 20 HIS HA 1 27 ASP QB . . 4.780 4.192 3.756 4.543 . 0 0 "[ . 1 .]" 2
476 1 20 HIS HD2 1 21 CYS QB . . 5.340 5.153 4.685 5.344 0.004 14 0 "[ . 1 .]" 2
477 1 20 HIS HE1 1 25 ASN QB . . 4.600 4.428 3.902 4.606 0.006 14 0 "[ . 1 .]" 2
478 1 21 CYS QB 1 26 GLU H . . 3.710 2.484 2.422 2.546 . 0 0 "[ . 1 .]" 2
479 1 21 CYS QB 1 28 PHE HE2 . . 3.430 3.004 2.783 3.121 . 0 0 "[ . 1 .]" 2
480 1 21 CYS QB 1 28 PHE HD2 . . 3.970 3.099 2.879 3.277 . 0 0 "[ . 1 .]" 2
481 1 21 CYS QB 1 38 HIS HE1 . . 3.310 3.320 3.275 3.351 0.041 14 0 "[ . 1 .]" 2
482 1 22 SER H 1 22 SER QB . . 3.610 2.243 2.170 2.300 . 0 0 "[ . 1 .]" 2
483 1 22 SER QB 1 23 PHE H . . 4.180 3.677 3.651 3.698 . 0 0 "[ . 1 .]" 2
484 1 23 PHE H 1 23 PHE QB . . 3.220 2.668 2.359 2.737 . 0 0 "[ . 1 .]" 2
485 1 23 PHE QB 1 24 CYS H . . 3.520 2.443 2.416 2.586 . 0 0 "[ . 1 .]" 2
486 1 23 PHE QB 1 42 TRP QB . . 3.380 2.466 2.302 2.842 . 0 0 "[ . 1 .]" 2
487 1 23 PHE QB 1 42 TRP HD1 . . 5.340 3.677 3.260 4.792 . 0 0 "[ . 1 .]" 2
488 1 24 CYS H 1 24 CYS QB . . 3.670 2.831 2.819 2.859 . 0 0 "[ . 1 .]" 2
489 1 24 CYS QB 1 41 ARG H . . 3.890 2.863 2.612 3.086 . 0 0 "[ . 1 .]" 2
490 1 24 CYS QB 1 41 ARG QB . . 4.440 3.641 2.838 4.150 . 0 0 "[ . 1 .]" 2
491 1 25 ASN H 1 25 ASN QB . . 3.700 2.992 2.988 2.996 . 0 0 "[ . 1 .]" 2
492 1 26 GLU H 1 26 GLU QB . . 3.540 2.708 2.678 2.733 . 0 0 "[ . 1 .]" 2
493 1 26 GLU HA 1 26 GLU QB . . 2.630 2.429 2.420 2.435 . 0 0 "[ . 1 .]" 2
494 1 26 GLU HA 1 26 GLU QG . . 3.170 2.223 2.213 2.236 . 0 0 "[ . 1 .]" 2
495 1 26 GLU QB 1 27 ASP H . . 3.170 2.617 2.468 2.751 . 0 0 "[ . 1 .]" 2
496 1 26 GLU QB 1 28 PHE HZ . . 3.310 2.326 2.258 2.511 . 0 0 "[ . 1 .]" 2
497 1 26 GLU QB 1 28 PHE HE2 . . 3.970 1.973 1.953 2.029 . 0 0 "[ . 1 .]" 2
498 1 26 GLU QG 1 28 PHE HZ . . 4.700 3.501 3.429 3.644 . 0 0 "[ . 1 .]" 2
499 1 27 ASP H 1 27 ASP QB . . 3.140 2.553 2.266 2.894 . 0 0 "[ . 1 .]" 2
500 1 27 ASP HA 1 27 ASP QB . . 2.610 2.327 2.178 2.471 . 0 0 "[ . 1 .]" 2
501 1 27 ASP QB 1 28 PHE H . . 3.940 2.894 2.863 2.957 . 0 0 "[ . 1 .]" 2
502 1 28 PHE QB 1 29 CYS H . . 3.330 2.966 2.835 3.012 . 0 0 "[ . 1 .]" 2
503 1 28 PHE QB 1 33 ARG HA . . 3.590 2.972 2.838 3.350 . 0 0 "[ . 1 .]" 2
504 1 28 PHE HE1 1 38 HIS QB . . 3.420 2.892 2.792 3.051 . 0 0 "[ . 1 .]" 2
505 1 29 CYS H 1 29 CYS QB . . 3.350 2.285 2.277 2.298 . 0 0 "[ . 1 .]" 2
506 1 29 CYS H 1 32 HIS QB . . 3.880 3.408 3.251 3.472 . 0 0 "[ . 1 .]" 2
507 1 29 CYS QB 1 30 SER H . . 3.290 2.598 2.569 2.652 . 0 0 "[ . 1 .]" 2
508 1 29 CYS QB 1 31 ASN H . . 3.960 3.080 3.036 3.231 . 0 0 "[ . 1 .]" 2
509 1 30 SER HA 1 33 ARG QB . . 3.130 1.985 1.973 2.073 . 0 0 "[ . 1 .]" 2
510 1 30 SER HA 1 33 ARG QG . . 4.910 3.601 3.507 3.838 . 0 0 "[ . 1 .]" 2
511 1 30 SER HA 1 33 ARG QD . . 4.020 2.610 2.252 3.320 . 0 0 "[ . 1 .]" 2
512 1 31 ASN H 1 31 ASN QD . . 3.830 3.491 3.138 3.724 . 0 0 "[ . 1 .]" 2
513 1 32 HIS H 1 32 HIS QB . . 3.210 2.466 2.397 2.497 . 0 0 "[ . 1 .]" 2
514 1 32 HIS HA 1 37 ASP QB . . 3.550 1.997 1.969 2.043 . 0 0 "[ . 1 .]" 2
515 1 32 HIS QB 1 38 HIS HA . . 4.490 3.773 3.625 3.950 . 0 0 "[ . 1 .]" 2
516 1 32 HIS QB 1 38 HIS QB . . 3.380 2.880 2.746 2.986 . 0 0 "[ . 1 .]" 2
517 1 32 HIS HD2 1 37 ASP QB . . 3.950 2.398 2.119 2.573 . 0 0 "[ . 1 .]" 2
518 1 33 ARG H 1 33 ARG QB . . 3.060 2.439 2.369 2.476 . 0 0 "[ . 1 .]" 2
519 1 33 ARG H 1 33 ARG QG . . 3.000 2.179 2.104 2.325 . 0 0 "[ . 1 .]" 2
520 1 33 ARG QG 1 34 LEU HA . . 4.290 3.193 3.054 3.273 . 0 0 "[ . 1 .]" 2
521 1 34 LEU H 1 34 LEU QB . . 3.060 2.628 2.602 2.646 . 0 0 "[ . 1 .]" 2
522 1 34 LEU H 1 34 LEU QD . . 4.050 2.729 2.635 2.854 . 0 0 "[ . 1 .]" 2
523 1 34 LEU HA 1 34 LEU QB . . 2.490 2.299 2.292 2.307 . 0 0 "[ . 1 .]" 2
524 1 34 LEU HA 1 34 LEU QD . . 3.710 2.123 1.981 2.294 . 0 0 "[ . 1 .]" 2
525 1 34 LEU QB 1 35 LYS H . . 3.560 2.338 2.296 2.402 . 0 0 "[ . 1 .]" 2
526 1 34 LEU QB 1 37 ASP QB . . 3.160 2.163 1.971 2.347 . 0 0 "[ . 1 .]" 2
527 1 34 LEU QD 1 35 LYS H . . 4.710 3.451 3.381 3.520 . 0 0 "[ . 1 .]" 2
528 1 35 LYS H 1 35 LYS QB . . 3.190 2.065 2.055 2.074 . 0 0 "[ . 1 .]" 2
529 1 35 LYS H 1 35 LYS QG . . 3.380 3.391 3.380 3.409 0.029 15 0 "[ . 1 .]" 2
530 1 35 LYS HA 1 35 LYS QB . . 2.440 2.537 2.534 2.538 0.098 13 0 "[ . 1 .]" 2
531 1 35 LYS HA 1 35 LYS QG . . 2.970 2.094 2.010 2.231 . 0 0 "[ . 1 .]" 2
532 1 35 LYS HA 1 35 LYS QD . . 4.790 3.720 3.450 4.006 . 0 0 "[ . 1 .]" 2
533 1 35 LYS QB 1 35 LYS QD . . 2.520 2.157 2.035 2.256 . 0 0 "[ . 1 .]" 2
534 1 35 LYS QB 1 35 LYS QE . . 3.560 2.288 1.967 3.032 . 0 0 "[ . 1 .]" 2
535 1 35 LYS QB 1 36 GLU H . . 3.470 2.305 2.291 2.322 . 0 0 "[ . 1 .]" 2
536 1 35 LYS QB 1 40 CYS QB . . 3.380 2.808 2.683 3.060 . 0 0 "[ . 1 .]" 2
537 1 35 LYS QB 1 43 LEU QD . . 4.200 1.969 1.920 2.213 . 0 0 "[ . 1 .]" 2
538 1 35 LYS QG 1 38 HIS HE1 . . 4.270 3.120 2.900 3.228 . 0 0 "[ . 1 .]" 2
539 1 35 LYS QE 1 42 TRP HZ3 . . 4.120 3.469 3.128 4.061 . 0 0 "[ . 1 .]" 2
540 1 35 LYS QE 1 43 LEU QD . . 4.740 2.691 2.467 3.314 . 0 0 "[ . 1 .]" 2
541 1 36 GLU H 1 36 GLU QG . . 3.380 2.513 2.098 3.385 0.005 8 0 "[ . 1 .]" 2
542 1 36 GLU HA 1 36 GLU QG . . 3.500 3.073 2.002 3.392 . 0 0 "[ . 1 .]" 2
543 1 36 GLU HA 1 43 LEU QD . . 4.410 2.074 1.919 2.182 . 0 0 "[ . 1 .]" 2
544 1 36 GLU QG 1 43 LEU QD . . 4.920 3.059 1.749 3.534 . 0 0 "[ . 1 .]" 2
545 1 37 ASP H 1 37 ASP QB . . 3.150 2.181 2.125 2.225 . 0 0 "[ . 1 .]" 2
546 1 37 ASP QB 1 38 HIS H . . 4.000 2.473 2.455 2.495 . 0 0 "[ . 1 .]" 2
547 1 38 HIS H 1 38 HIS QB . . 3.530 2.744 2.712 2.767 . 0 0 "[ . 1 .]" 2
548 1 38 HIS QB 1 38 HIS HD2 . . 3.370 2.808 2.740 2.833 . 0 0 "[ . 1 .]" 2
549 1 38 HIS HD2 1 40 CYS QB . . 4.000 3.357 3.244 3.644 . 0 0 "[ . 1 .]" 2
550 1 39 HIS H 1 43 LEU QD . . 5.830 4.612 4.315 4.847 . 0 0 "[ . 1 .]" 2
551 1 39 HIS HA 1 43 LEU QD . . 4.900 3.870 3.299 4.171 . 0 0 "[ . 1 .]" 2
552 1 40 CYS H 1 43 LEU QD . . 4.570 3.286 3.037 3.585 . 0 0 "[ . 1 .]" 2
553 1 40 CYS QB 1 42 TRP H . . 4.290 3.437 3.208 3.679 . 0 0 "[ . 1 .]" 2
554 1 40 CYS QB 1 43 LEU H . . 4.140 2.474 2.406 2.556 . 0 0 "[ . 1 .]" 2
555 1 40 CYS QB 1 43 LEU QD . . 4.090 2.939 2.799 3.146 . 0 0 "[ . 1 .]" 2
556 1 41 ARG HA 1 44 LEU QB . . 3.230 3.137 3.050 3.227 . 0 0 "[ . 1 .]" 2
557 1 41 ARG QB 1 42 TRP H . . 3.730 3.244 2.605 3.470 . 0 0 "[ . 1 .]" 2
558 1 42 TRP H 1 42 TRP QB . . 2.780 2.218 2.216 2.226 . 0 0 "[ . 1 .]" 2
559 1 42 TRP HA 1 42 TRP QB . . 2.600 2.420 2.403 2.425 . 0 0 "[ . 1 .]" 2
560 1 42 TRP QB 1 42 TRP HD1 . . 3.410 2.580 2.576 2.583 . 0 0 "[ . 1 .]" 2
561 1 42 TRP QB 1 42 TRP HE3 . . 3.400 2.610 2.605 2.617 . 0 0 "[ . 1 .]" 2
562 1 42 TRP QB 1 43 LEU H . . 3.830 2.558 2.464 2.621 . 0 0 "[ . 1 .]" 2
563 1 42 TRP HE3 1 43 LEU QD . . 4.110 3.278 3.172 3.523 . 0 0 "[ . 1 .]" 2
564 1 42 TRP HZ3 1 43 LEU QD . . 4.230 3.253 2.994 3.560 . 0 0 "[ . 1 .]" 2
565 1 43 LEU H 1 43 LEU QB . . 2.830 2.043 2.039 2.047 . 0 0 "[ . 1 .]" 2
566 1 43 LEU HA 1 43 LEU QD . . 3.400 2.137 2.034 2.331 . 0 0 "[ . 1 .]" 2
567 1 43 LEU QB 1 43 LEU QD . . 2.860 1.922 1.881 1.932 . 0 0 "[ . 1 .]" 2
568 1 44 LEU H 1 44 LEU QB . . 2.840 2.683 2.680 2.685 . 0 0 "[ . 1 .]" 2
569 1 44 LEU H 1 44 LEU QD . . 4.230 2.562 2.527 2.618 . 0 0 "[ . 1 .]" 2
570 1 44 LEU HA 1 44 LEU QB . . 2.300 2.246 2.244 2.248 . 0 0 "[ . 1 .]" 2
571 1 44 LEU HA 1 44 LEU QD . . 3.550 2.247 2.144 2.325 . 0 0 "[ . 1 .]" 2
572 1 44 LEU QB 1 45 GLU H . . 4.150 2.379 2.226 2.688 . 0 0 "[ . 1 .]" 2
573 1 44 LEU QD 1 45 GLU H . . 5.660 3.845 3.758 3.975 . 0 0 "[ . 1 .]" 2
574 1 45 GLU H 1 45 GLU QB . . 3.100 2.309 2.042 2.478 . 0 0 "[ . 1 .]" 2
575 1 45 GLU H 1 45 GLU QG . . 3.370 2.566 2.099 3.364 . 0 0 "[ . 1 .]" 2
576 1 45 GLU QB 1 46 HIS H . . 3.730 3.236 2.776 3.466 . 0 0 "[ . 1 .]" 2
577 1 45 GLU QB 1 46 HIS HD2 . . 4.810 3.265 1.994 4.120 . 0 0 "[ . 1 .]" 2
578 1 46 HIS H 1 46 HIS QB . . 3.390 2.412 2.309 2.529 . 0 0 "[ . 1 .]" 2
579 1 46 HIS HA 1 46 HIS QB . . 2.610 2.489 2.430 2.527 . 0 0 "[ . 1 .]" 2
580 1 46 HIS QB 1 47 GLU H . . 4.260 3.874 3.825 3.915 . 0 0 "[ . 1 .]" 2
581 1 47 GLU H 1 47 GLU QB . . 3.240 2.523 2.104 3.040 . 0 0 "[ . 1 .]" 2
582 1 47 GLU H 1 47 GLU QG . . 3.380 2.593 1.919 3.330 . 0 0 "[ . 1 .]" 2
583 1 47 GLU HA 1 47 GLU QB . . 2.590 2.353 2.173 2.527 . 0 0 "[ . 1 .]" 2
584 1 47 GLU QB 1 48 GLU H . . 3.880 3.739 3.539 3.881 0.001 3 0 "[ . 1 .]" 2
585 1 48 GLU H 1 48 GLU QB . . 3.210 2.692 2.048 3.056 . 0 0 "[ . 1 .]" 2
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