NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483321 |
1wjb   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjb
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 757
_Distance_constraint_stats_list.Viol_count 4285
_Distance_constraint_stats_list.Viol_total 41952.977
_Distance_constraint_stats_list.Viol_max 4.250
_Distance_constraint_stats_list.Viol_rms 0.2375
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0346
_Distance_constraint_stats_list.Viol_average_violations_only 0.2448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PHE 319.072 2.726 20 40 [*******************+********-***********]
1 2 LEU 5.660 0.190 19 0 "[ . 1 . 2 . 3 . 4]"
1 3 ASP 13.265 0.291 6 0 "[ . 1 . 2 . 3 . 4]"
1 4 GLY 3.580 0.291 6 0 "[ . 1 . 2 . 3 . 4]"
1 5 ILE 389.278 3.432 19 40 [**********-*******+*********************]
1 6 ASP 8.111 0.387 28 0 "[ . 1 . 2 . 3 . 4]"
1 7 LYS 6.239 0.387 28 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 1.566 0.053 9 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLN 4.111 0.154 28 0 "[ . 1 . 2 . 3 . 4]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 12 HIS 9.897 0.261 31 0 "[ . 1 . 2 . 3 . 4]"
1 13 GLU 3.500 0.186 27 0 "[ . 1 . 2 . 3 . 4]"
1 14 LYS 1.280 0.090 23 0 "[ . 1 . 2 . 3 . 4]"
1 15 TYR 2.952 0.147 27 0 "[ . 1 . 2 . 3 . 4]"
1 16 HIS 1.093 0.100 17 0 "[ . 1 . 2 . 3 . 4]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 TRP 5.908 0.147 37 0 "[ . 1 . 2 . 3 . 4]"
1 20 ARG 3.495 0.076 15 0 "[ . 1 . 2 . 3 . 4]"
1 21 ALA 4.981 0.147 27 0 "[ . 1 . 2 . 3 . 4]"
1 22 MET 6.237 0.147 37 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 9.568 0.152 5 0 "[ . 1 . 2 . 3 . 4]"
1 24 SER 4.793 0.067 28 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 4.373 0.066 21 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 3.658 0.131 37 0 "[ . 1 . 2 . 3 . 4]"
1 27 ASN 0.195 0.055 5 0 "[ . 1 . 2 . 3 . 4]"
1 28 LEU 45.186 0.882 28 38 "[******* *1**********-******+************]"
1 29 PRO 61.902 2.270 27 40 [**************************+**-**********]
1 30 PRO 1.990 0.123 1 0 "[ . 1 . 2 . 3 . 4]"
1 31 VAL 137.691 3.432 19 40 [******************+******************-**]
1 32 VAL 31.150 0.915 16 27 "[ * .-** ** **+********.*** ** **. ***4]"
1 33 ALA 5.580 0.136 31 0 "[ . 1 . 2 . 3 . 4]"
1 34 LYS 10.134 0.295 8 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLU 23.145 1.408 3 10 "[* +*. 1 * . - 2 *.* 3 .*** 4]"
1 36 ILE 2.429 0.105 30 0 "[ . 1 . 2 . 3 . 4]"
1 37 VAL 155.220 4.250 32 40 [*******************************+*******-]
1 38 ALA 45.746 2.769 10 35 "[*** *****+*-* * ****** ****************]"
1 39 SER 101.485 3.082 3 40 [*-+*************************************]
1 40 CYS 2.929 0.099 21 0 "[ . 1 . 2 . 3 . 4]"
1 41 ASP 2.231 0.153 14 0 "[ . 1 . 2 . 3 . 4]"
1 42 LYS 3.208 0.146 32 0 "[ . 1 . 2 . 3 . 4]"
1 43 CYS 8.355 0.261 31 0 "[ . 1 . 2 . 3 . 4]"
1 44 GLN 299.564 4.250 32 40 [***********-*******************+********]
1 45 LEU 11.377 0.335 16 0 "[ . 1 . 2 . 3 . 4]"
1 46 LYS 3.420 0.335 16 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 49 ALA 3.825 0.239 7 0 "[ . 1 . 2 . 3 . 4]"
1 50 MET 5.044 0.242 7 0 "[ . 1 . 2 . 3 . 4]"
1 51 HIS 2.506 0.279 20 0 "[ . 1 . 2 . 3 . 4]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 GLN 0.938 0.249 38 0 "[ . 1 . 2 . 3 . 4]"
1 54 VAL 2.854 0.309 10 0 "[ . 1 . 2 . 3 . 4]"
1 55 ASP 2.948 0.309 10 0 "[ . 1 . 2 . 3 . 4]"
2 1 PHE 23.439 0.915 16 27 "[ * .-** ** **+********.*** ** **. ***4]"
2 2 LEU 5.471 0.182 31 0 "[ . 1 . 2 . 3 . 4]"
2 3 ASP 13.233 0.297 6 0 "[ . 1 . 2 . 3 . 4]"
2 4 GLY 3.613 0.297 6 0 "[ . 1 . 2 . 3 . 4]"
2 5 ILE 11.682 0.237 32 0 "[ . 1 . 2 . 3 . 4]"
2 6 ASP 8.083 0.428 28 0 "[ . 1 . 2 . 3 . 4]"
2 7 LYS 6.360 0.428 28 0 "[ . 1 . 2 . 3 . 4]"
2 8 ALA 1.547 0.051 25 0 "[ . 1 . 2 . 3 . 4]"
2 9 GLN 4.066 0.118 28 0 "[ . 1 . 2 . 3 . 4]"
2 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 12 HIS 10.050 0.245 19 0 "[ . 1 . 2 . 3 . 4]"
2 13 GLU 3.505 0.224 27 0 "[ . 1 . 2 . 3 . 4]"
2 14 LYS 1.283 0.097 8 0 "[ . 1 . 2 . 3 . 4]"
2 15 TYR 2.925 0.137 13 0 "[ . 1 . 2 . 3 . 4]"
2 16 HIS 1.177 0.102 17 0 "[ . 1 . 2 . 3 . 4]"
2 17 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 19 TRP 5.976 0.151 37 0 "[ . 1 . 2 . 3 . 4]"
2 20 ARG 3.467 0.092 13 0 "[ . 1 . 2 . 3 . 4]"
2 21 ALA 4.935 0.137 13 0 "[ . 1 . 2 . 3 . 4]"
2 22 MET 6.241 0.151 37 0 "[ . 1 . 2 . 3 . 4]"
2 23 ALA 12.119 0.155 4 0 "[ . 1 . 2 . 3 . 4]"
2 24 SER 4.760 0.070 19 0 "[ . 1 . 2 . 3 . 4]"
2 25 ASP 4.363 0.070 19 0 "[ . 1 . 2 . 3 . 4]"
2 26 PHE 3.694 0.128 37 0 "[ . 1 . 2 . 3 . 4]"
2 27 ASN 0.131 0.040 5 0 "[ . 1 . 2 . 3 . 4]"
2 28 LEU 7.615 0.151 5 0 "[ . 1 . 2 . 3 . 4]"
2 29 PRO 4.075 0.190 19 0 "[ . 1 . 2 . 3 . 4]"
2 30 PRO 2.027 0.121 1 0 "[ . 1 . 2 . 3 . 4]"
2 31 VAL 12.954 0.314 8 0 "[ . 1 . 2 . 3 . 4]"
2 32 VAL 32.094 0.957 16 24 "[ . ***1** *+***** **. **-**** .** *4]"
2 33 ALA 7.834 0.155 4 0 "[ . 1 . 2 . 3 . 4]"
2 34 LYS 10.203 0.314 8 0 "[ . 1 . 2 . 3 . 4]"
2 35 GLU 23.358 1.408 3 10 "[* +*. 1 * . - 2 *.* 3 .*** 4]"
2 36 ILE 2.247 0.097 30 0 "[ . 1 . 2 . 3 . 4]"
2 37 VAL 2.941 0.086 21 0 "[ . 1 . 2 . 3 . 4]"
2 38 ALA 2.104 0.052 28 0 "[ . 1 . 2 . 3 . 4]"
2 39 SER 2.485 0.082 37 0 "[ . 1 . 2 . 3 . 4]"
2 40 CYS 2.951 0.086 21 0 "[ . 1 . 2 . 3 . 4]"
2 41 ASP 2.288 0.156 14 0 "[ . 1 . 2 . 3 . 4]"
2 42 LYS 3.280 0.148 32 0 "[ . 1 . 2 . 3 . 4]"
2 43 CYS 8.517 0.245 19 0 "[ . 1 . 2 . 3 . 4]"
2 44 GLN 4.616 0.156 14 0 "[ . 1 . 2 . 3 . 4]"
2 45 LEU 11.457 0.336 16 0 "[ . 1 . 2 . 3 . 4]"
2 46 LYS 3.370 0.336 16 0 "[ . 1 . 2 . 3 . 4]"
2 47 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 48 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 49 ALA 3.839 0.239 7 0 "[ . 1 . 2 . 3 . 4]"
2 50 MET 5.057 0.242 7 0 "[ . 1 . 2 . 3 . 4]"
2 51 HIS 2.506 0.279 20 0 "[ . 1 . 2 . 3 . 4]"
2 52 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 53 GLN 0.971 0.252 38 0 "[ . 1 . 2 . 3 . 4]"
2 54 VAL 2.890 0.310 10 0 "[ . 1 . 2 . 3 . 4]"
2 55 ASP 2.967 0.310 10 0 "[ . 1 . 2 . 3 . 4]"
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 2 LEU H 1 2 LEU QB 3.000 . 3.500 2.467 2.371 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 2 LEU QB 1 3 ASP H 3.000 . 3.500 2.536 2.472 2.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 2 LEU QD 1 3 ASP H 4.000 . 5.500 4.047 3.984 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 LEU HA 1 3 ASP H 3.000 . 3.500 3.555 3.538 3.577 0.077 25 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 3 ASP H 1 4 GLY H 3.000 . 3.500 2.745 2.671 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 3 ASP QB 1 4 GLY H 2.500 . 2.900 2.604 2.339 3.191 0.291 6 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 3 ASP HA 1 4 GLY H 3.000 . 3.500 3.558 3.541 3.580 0.080 8 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 3 ASP HA 1 5 ILE H 4.000 . 5.000 4.289 4.166 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 4 GLY H 1 5 ILE H 3.000 . 3.500 2.644 2.488 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 4 GLY QA 1 5 ILE H 3.000 . 3.500 2.742 2.711 2.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 4 GLY QA 1 6 ASP H 4.000 . 5.000 4.091 4.013 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 4 GLY QA 1 7 LYS H 4.000 . 5.000 3.623 3.439 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 4 GLY QA 1 8 ALA H 4.000 . 6.000 3.896 3.647 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 5 ILE H 1 6 ASP H 3.000 . 3.500 2.681 2.608 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 5 ILE MG 1 6 ASP H 3.000 . 4.000 3.255 3.195 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 5 ILE HA 1 6 ASP H 3.000 . 3.500 3.559 3.546 3.574 0.074 25 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 5 ILE HA 1 8 ALA H 4.000 . 5.000 3.414 3.239 3.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 6 ASP QB 1 7 LYS H 2.500 . 2.900 2.433 2.184 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 6 ASP H 1 7 LYS H 3.000 . 3.500 2.818 2.744 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 6 ASP HA 1 7 LYS H 3.000 . 3.500 3.573 3.552 3.589 0.089 24 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 6 ASP H 1 8 ALA H 4.000 . 5.000 4.089 4.000 4.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 6 ASP HA 1 9 GLN H 3.000 . 3.500 3.505 3.327 3.654 0.154 28 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 7 LYS H 1 7 LYS QB 3.000 . 3.500 2.368 2.230 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 7 LYS HA 1 8 ALA H 3.000 . 3.500 3.539 3.522 3.553 0.053 9 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 7 LYS H 1 8 ALA H 3.000 . 3.500 2.584 2.529 2.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 7 LYS QB 1 8 ALA H 2.500 . 2.900 2.542 2.450 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 8 ALA H 1 9 GLN H 3.000 . 3.500 2.586 2.539 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 8 ALA MB 1 9 GLN H 2.500 . 3.400 2.705 2.489 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 8 ALA HA 1 9 GLN H 4.000 . 5.000 3.526 3.467 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 9 GLN H 1 10 GLU H 4.000 . 5.000 4.629 4.539 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 9 GLN HA 1 10 GLU H 3.000 . 3.500 2.215 2.155 2.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 12 HIS H 1 13 GLU H 4.000 . 5.000 3.914 3.722 4.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 12 HIS HA 1 13 GLU H 3.000 . 3.500 2.426 2.266 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 13 GLU H 1 14 LYS H 4.000 . 5.000 4.386 4.194 4.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 13 GLU QB 1 14 LYS H 3.000 . 3.500 2.041 1.743 3.148 0.057 1 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 14 LYS H 1 15 TYR H 2.500 . 2.900 2.549 2.445 2.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 14 LYS HA 1 15 TYR H 3.000 . 3.500 3.500 3.464 3.530 0.030 22 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 14 LYS QB 1 15 TYR H 2.500 . 2.900 2.804 2.693 2.923 0.023 9 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 14 LYS QB 1 16 HIS H 4.000 . 6.000 4.740 4.548 4.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 15 TYR H 1 15 TYR QE 4.000 . 5.000 4.373 4.206 4.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 15 TYR H 1 15 TYR QD 3.000 . 3.500 2.280 2.009 2.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 15 TYR QB 1 16 HIS H 3.000 . 3.500 2.762 2.626 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 15 TYR HA 1 16 HIS H 4.000 . 5.000 3.548 3.504 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 15 TYR H 1 16 HIS H 2.500 . 2.900 2.746 2.677 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 15 TYR QD 1 22 MET H 4.000 . 5.000 4.255 3.781 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 17 SER QB 1 18 ASN H 3.000 . 3.500 3.344 3.265 3.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 18 ASN H 1 18 ASN QD 4.000 . 5.000 3.682 3.055 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 18 ASN HA 1 19 TRP H 4.000 . 5.000 2.345 2.235 2.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 19 TRP H 1 19 TRP HD1 2.500 . 2.900 2.480 2.308 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 19 TRP QB 1 20 ARG H 3.000 . 4.000 3.603 3.543 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 19 TRP HA 1 20 ARG H 4.000 . 5.000 3.492 3.465 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 19 TRP HA 1 21 ALA H 4.000 . 6.000 4.206 4.126 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 19 TRP HA 1 22 MET H 3.000 . 3.500 3.324 3.194 3.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 19 TRP HA 1 23 ALA H 4.000 . 5.000 4.363 4.053 4.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 19 TRP HZ3 1 23 ALA H 4.000 . 5.000 4.894 4.536 5.056 0.056 15 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 19 TRP QB 1 34 LYS H 4.000 . 6.000 4.678 4.278 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 20 ARG H 1 21 ALA H 2.500 . 2.900 2.750 2.718 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 20 ARG QB 1 21 ALA H 3.000 . 3.500 2.566 2.480 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 20 ARG HA 1 21 ALA H 3.000 . 3.500 3.559 3.546 3.571 0.071 25 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 20 ARG H 1 22 MET H 4.000 . 5.000 4.275 4.187 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 20 ARG QB 1 22 MET H 4.000 . 5.000 4.717 4.651 4.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 20 ARG HA 1 22 MET H 4.000 . 5.000 4.413 4.294 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 20 ARG HA 1 23 ALA H 3.000 . 3.500 3.433 3.289 3.540 0.040 6 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 21 ALA H 1 22 MET H 2.500 . 2.900 2.722 2.657 2.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 21 ALA MB 1 22 MET H 2.500 . 3.400 2.507 2.362 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 21 ALA HA 1 22 MET H 4.000 . 5.000 3.555 3.536 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 21 ALA H 1 23 ALA H 4.000 . 5.000 4.239 4.135 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 21 ALA MB 1 23 ALA H 4.000 . 5.500 4.559 4.459 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 21 ALA HA 1 23 ALA H 4.000 . 5.000 4.489 4.388 4.656 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 21 ALA HA 1 24 SER H 3.000 . 3.500 3.502 3.387 3.565 0.065 8 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 21 ALA MB 1 24 SER H 4.000 . 5.500 4.638 4.562 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 21 ALA MB 1 25 ASP H 4.000 . 5.500 4.432 4.290 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 21 ALA HA 1 25 ASP H 4.000 . 5.000 3.968 3.789 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 22 MET QG 1 23 ALA H 4.000 . 5.000 3.686 3.507 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 22 MET QB 1 23 ALA H 2.500 . 2.900 2.482 2.323 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 22 MET H 1 23 ALA H 2.500 . 2.900 2.725 2.658 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 22 MET HA 1 23 ALA H 3.000 . 3.500 3.559 3.538 3.574 0.074 21 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 22 MET HA 1 25 ASP H 3.000 . 3.500 3.454 3.340 3.550 0.050 35 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 22 MET H 1 33 ALA MB 4.000 . 6.500 4.694 4.242 5.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 23 ALA H 1 24 SER H 2.500 . 2.900 2.688 2.617 2.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 23 ALA H 1 24 SER QB 4.000 . 5.000 4.544 4.396 4.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 23 ALA HA 1 24 SER H 3.000 . 3.500 3.553 3.532 3.567 0.067 28 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 23 ALA MB 1 24 SER H 2.500 . 3.400 2.521 2.445 2.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 23 ALA MB 1 25 ASP H 4.000 . 5.500 4.521 4.467 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 23 ALA H 1 26 PHE QD 4.000 . 6.000 5.230 5.066 5.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 23 ALA HA 1 27 ASN H 4.000 . 6.000 4.257 3.925 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 23 ALA MB 1 27 ASN H 4.000 . 5.500 4.716 4.502 4.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 23 ALA H 1 28 LEU H 4.000 . 6.000 5.502 5.335 5.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 23 ALA H 1 28 LEU QD 4.000 . 6.500 5.920 5.816 6.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 23 ALA HA 1 28 LEU H 2.500 . 2.900 2.877 2.659 3.011 0.111 37 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 23 ALA H 1 33 ALA MB 3.000 . 4.000 3.309 2.959 3.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 23 ALA MB 1 33 ALA H 4.000 . 5.500 3.988 3.726 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 24 SER HA 1 25 ASP H 3.000 . 3.500 3.550 3.537 3.566 0.066 21 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 24 SER QB 1 25 ASP H 2.500 . 2.900 2.571 2.528 2.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 24 SER H 1 25 ASP H 2.500 . 2.900 2.633 2.586 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 24 SER HA 1 26 PHE H 4.000 . 5.000 4.379 4.311 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 24 SER H 1 26 PHE H 4.000 . 5.000 4.214 4.133 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 24 SER HA 1 27 ASN H 4.000 . 5.000 3.192 3.062 3.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 25 ASP H 1 26 PHE H 2.500 . 2.900 2.736 2.704 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 25 ASP QB 1 26 PHE H 2.500 . 2.900 2.580 2.502 2.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 25 ASP HA 1 26 PHE H 3.000 . 3.500 3.552 3.536 3.565 0.065 5 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 26 PHE H 1 26 PHE QD 2.500 . 2.900 2.537 2.155 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 26 PHE H 1 27 ASN H 2.500 . 2.900 2.307 2.192 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 26 PHE HA 1 27 ASN H 4.000 . 5.000 3.291 3.255 3.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 26 PHE H 1 27 ASN HA 4.000 . 5.000 4.538 4.443 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 26 PHE H 1 28 LEU H 4.000 . 5.000 3.833 3.713 4.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 26 PHE H 1 28 LEU QD 4.000 . 6.500 4.328 4.252 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 27 ASN H 1 28 LEU H 2.500 . 2.900 2.870 2.802 2.955 0.055 5 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 27 ASN QB 1 28 LEU H 4.000 . 5.000 3.893 3.868 3.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 27 ASN HA 1 28 LEU H 2.500 . 2.900 2.779 2.719 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 27 ASN H 1 28 LEU QB 4.000 . 6.000 4.782 4.665 4.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 27 ASN H 1 28 LEU HG 4.000 . 6.000 4.382 4.164 4.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 28 LEU QD 1 32 VAL H 4.000 . 6.500 4.526 4.345 4.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 28 LEU HA 1 29 PRO HD3 3.000 . 3.300 2.373 2.216 2.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 28 LEU HA 1 32 VAL H 4.000 . 6.000 5.915 5.808 6.083 0.083 10 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 28 LEU HA 1 29 PRO HD2 3.000 . 3.300 2.450 2.359 2.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 28 LEU H 1 33 ALA MB 4.000 . 5.500 5.356 5.073 5.567 0.067 34 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 28 LEU QB 1 33 ALA H 4.000 . 5.000 3.933 3.768 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 28 LEU QD 1 33 ALA H 4.000 . 5.500 4.599 4.467 4.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 29 PRO HA 1 30 PRO HD3 3.000 . 3.300 2.373 2.252 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 29 PRO HA 1 30 PRO HD2 3.000 . 3.300 2.437 2.317 2.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 29 PRO QB 1 31 VAL H 3.000 . 3.500 2.458 2.374 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 29 PRO QB 1 32 VAL H 4.000 . 5.000 4.046 3.149 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 30 PRO HA 1 31 VAL H 3.000 . 3.500 3.481 3.433 3.519 0.019 15 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 30 PRO QG 1 31 VAL H 4.000 . 5.000 3.729 2.838 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 30 PRO QB 1 31 VAL H 3.000 . 3.500 3.134 2.882 3.440 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 30 PRO HA 1 33 ALA H 3.000 . 3.500 3.436 3.288 3.525 0.025 5 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 30 PRO HA 1 34 LYS H 4.000 . 5.000 3.495 3.217 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 31 VAL H 1 31 VAL HB 2.500 . 2.900 2.460 2.395 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 31 VAL H 1 32 VAL H 2.500 . 2.900 2.907 2.850 3.002 0.102 36 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 31 VAL HA 1 32 VAL H 3.000 . 3.500 3.582 3.567 3.601 0.101 21 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 31 VAL HA 1 33 ALA H 4.000 . 5.000 4.674 4.564 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 31 VAL H 1 33 ALA H 3.000 . 5.000 4.182 4.070 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 31 VAL HA 1 34 LYS H 3.000 . 3.500 3.696 3.632 3.795 0.295 8 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 31 VAL HA 1 35 GLU H 4.000 . 5.000 4.073 3.654 4.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 32 VAL HB 1 33 ALA H 2.500 . 2.900 2.589 2.429 2.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 32 VAL H 1 33 ALA H 2.500 . 2.900 2.643 2.564 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 32 VAL HA 1 33 ALA H 3.000 . 3.500 3.554 3.537 3.567 0.067 38 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 32 VAL H 1 34 LYS H 4.000 . 5.000 4.155 4.055 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 32 VAL HA 1 35 GLU H 3.000 . 3.500 3.523 3.426 3.602 0.102 16 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 32 VAL HA 1 36 ILE H 4.000 . 5.000 4.403 4.081 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 33 ALA H 1 34 LYS H 2.500 . 2.900 2.737 2.665 2.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 33 ALA MB 1 34 LYS H 2.500 . 3.400 2.479 2.364 2.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 33 ALA HA 1 34 LYS H 4.000 . 5.000 3.580 3.551 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 33 ALA H 1 35 GLU H 4.000 . 5.000 4.180 4.094 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 33 ALA HA 1 36 ILE H 3.000 . 3.500 3.539 3.476 3.605 0.105 30 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 33 ALA HA 1 37 VAL H 4.000 . 5.000 4.459 4.227 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 34 LYS QG 1 35 GLU H 4.000 . 5.000 4.213 4.145 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 34 LYS H 1 35 GLU H 2.500 . 2.900 2.724 2.679 2.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 34 LYS QB 1 35 GLU H 2.500 . 2.900 2.664 2.613 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 34 LYS HA 1 37 VAL H 3.000 . 3.500 3.346 3.218 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 34 LYS H 1 37 VAL QG 4.000 . 5.500 4.554 4.276 4.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 34 LYS HA 1 38 ALA H 4.000 . 5.000 4.172 3.768 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 35 GLU HA 1 36 ILE H 4.000 . 5.000 3.570 3.557 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 35 GLU QB 1 36 ILE H 3.000 . 3.500 2.560 2.440 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 35 GLU H 1 36 ILE H 2.500 . 2.900 2.762 2.720 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 35 GLU HA 1 37 VAL H 4.000 . 5.000 4.363 4.277 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 35 GLU H 1 37 VAL H 4.000 . 5.000 4.177 4.112 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 35 GLU HA 1 38 ALA H 3.000 . 3.500 3.301 3.188 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 35 GLU HA 1 39 SER H 4.000 . 5.000 4.193 3.784 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 36 ILE H 1 37 VAL H 2.500 . 3.000 2.650 2.590 2.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 36 ILE MG 1 37 VAL H 3.000 . 4.000 3.359 3.184 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 36 ILE HB 1 37 VAL H 2.500 . 2.900 2.625 2.506 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 36 ILE HB 1 38 ALA H 4.000 . 5.000 5.001 4.908 5.046 0.046 21 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 36 ILE HA 1 38 ALA H 4.000 . 5.000 4.338 4.255 4.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 36 ILE H 1 38 ALA H 4.000 . 5.000 4.072 4.009 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 36 ILE HA 1 39 SER H 3.000 . 3.500 3.316 3.193 3.518 0.018 17 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 37 VAL H 1 38 ALA H 2.500 . 2.900 2.630 2.576 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 37 VAL HB 1 38 ALA H 2.500 . 2.900 2.616 2.568 2.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 37 VAL QG 1 38 ALA H 3.000 . 4.000 3.153 3.113 3.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 37 VAL HA 1 38 ALA H 3.000 . 3.500 3.535 3.524 3.551 0.051 28 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 37 VAL H 1 38 ALA MB 4.000 . 5.500 4.317 4.242 4.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 37 VAL HB 1 39 SER H 4.000 . 5.000 4.960 4.844 5.079 0.079 14 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 37 VAL HA 1 39 SER H 4.000 . 5.000 4.280 4.113 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 37 VAL HA 1 40 CYS H 3.000 . 3.500 3.517 3.421 3.599 0.099 21 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 37 VAL QG 1 40 CYS H 4.000 . 6.500 4.368 4.280 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 38 ALA H 1 39 SER H 2.500 . 2.900 2.613 2.538 2.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 38 ALA MB 1 39 SER H 2.500 . 3.400 2.663 2.512 2.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 38 ALA MB 1 40 CYS H 4.000 . 5.500 4.589 4.452 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 38 ALA HA 1 40 CYS H 4.000 . 5.000 4.428 4.213 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 38 ALA H 1 40 CYS H 4.000 . 5.000 4.191 4.001 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 39 SER H 1 39 SER QB 3.000 . 3.500 2.403 2.296 2.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 39 SER QB 1 40 CYS H 3.000 . 3.500 2.649 2.572 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 39 SER HA 1 40 CYS H 3.000 . 3.500 3.549 3.499 3.570 0.070 15 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 39 SER H 1 40 CYS H 2.500 . 2.900 2.580 2.470 2.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 40 CYS HA 1 41 ASP H 2.500 . 2.900 2.190 2.159 2.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 40 CYS QB 1 43 CYS H 3.000 . 3.500 2.831 2.606 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 41 ASP H 1 42 LYS H 4.000 . 5.000 2.761 2.726 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 41 ASP QB 1 42 LYS H 3.000 . 3.500 2.600 2.538 2.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 41 ASP HA 1 42 LYS H 3.000 . 3.500 3.550 3.535 3.559 0.059 29 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 41 ASP HA 1 43 CYS H 4.000 . 5.000 4.354 4.125 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 41 ASP HA 1 44 GLN H 3.000 . 3.500 3.334 3.142 3.653 0.153 14 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 42 LYS QB 1 43 CYS H 3.000 . 3.500 2.593 2.463 2.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 42 LYS QG 1 43 CYS H 4.000 . 5.000 4.132 3.952 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 42 LYS H 1 43 CYS H 2.500 . 2.900 2.771 2.709 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 43 CYS HA 1 44 GLN H 3.000 . 3.500 3.531 3.476 3.596 0.096 14 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 43 CYS H 1 44 GLN H 3.000 . 3.500 2.506 2.420 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 43 CYS QB 1 44 GLN H 3.000 . 3.500 2.666 2.140 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 43 CYS H 1 45 LEU H 4.000 . 5.000 4.828 4.446 5.038 0.038 10 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 44 GLN H 1 45 LEU H 3.000 . 3.500 2.954 2.837 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 44 GLN HA 1 45 LEU H 3.000 . 3.500 3.574 3.542 3.602 0.102 19 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 44 GLN H 1 45 LEU HG 4.000 . 5.000 4.824 4.585 5.002 0.002 36 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 44 GLN H 1 45 LEU QD 4.000 . 6.500 5.028 4.865 5.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 45 LEU QB 1 46 LYS H 3.000 . 3.500 3.239 2.760 3.835 0.335 16 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 45 LEU QD 1 46 LYS H 4.000 . 5.500 3.594 3.303 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 46 LYS H 1 46 LYS HA 2.500 . 2.900 2.954 2.912 2.974 0.074 2 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 46 LYS HA 1 47 GLY H 4.000 . 5.000 3.026 2.168 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 48 GLU QB 1 49 ALA H 4.000 . 5.000 3.240 1.826 4.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 49 ALA H 1 49 ALA MB 3.000 . 4.000 2.458 2.099 3.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 49 ALA HA 1 50 MET H 3.000 . 3.500 2.819 2.171 3.583 0.083 25 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 49 ALA MB 1 50 MET H 4.000 . 5.500 2.738 1.772 3.739 0.028 31 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 52 GLY QA 1 53 GLN H 3.000 . 3.500 2.337 2.147 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 53 GLN HA 1 54 VAL H 2.500 . 3.000 2.442 2.171 3.249 0.249 38 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 54 VAL H 1 54 VAL MG2 3.000 . 4.000 2.800 1.775 4.034 0.034 40 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 54 VAL HA 1 55 ASP H 2.500 . 3.000 2.430 2.171 3.309 0.309 10 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 54 VAL HB 1 55 ASP H 4.000 . 5.000 4.011 2.976 4.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 55 ASP H 1 55 ASP HB3 3.000 . 3.500 3.034 2.502 3.767 0.267 35 0 "[ . 1 . 2 . 3 . 4]" 1
218 2 2 LEU H 2 2 LEU QB 3.000 . 3.500 2.471 2.378 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 2 2 LEU QB 2 3 ASP H 3.000 . 3.500 2.536 2.474 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 2 2 LEU QD 2 3 ASP H 4.000 . 5.500 4.046 4.004 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 2 2 LEU HA 2 3 ASP H 3.000 . 3.500 3.555 3.524 3.597 0.097 21 0 "[ . 1 . 2 . 3 . 4]" 1
222 2 3 ASP H 2 4 GLY H 3.000 . 3.500 2.745 2.667 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 2 3 ASP QB 2 4 GLY H 2.500 . 2.900 2.602 2.336 3.197 0.297 6 0 "[ . 1 . 2 . 3 . 4]" 1
224 2 3 ASP HA 2 4 GLY H 3.000 . 3.500 3.557 3.544 3.577 0.077 8 0 "[ . 1 . 2 . 3 . 4]" 1
225 2 3 ASP HA 2 5 ILE H 4.000 . 5.000 4.290 4.191 4.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 2 4 GLY H 2 5 ILE H 3.000 . 3.500 2.643 2.487 2.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 2 4 GLY QA 2 5 ILE H 3.000 . 3.500 2.743 2.707 2.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 2 4 GLY QA 2 6 ASP H 4.000 . 5.000 4.093 4.017 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 2 4 GLY QA 2 7 LYS H 4.000 . 5.000 3.626 3.442 3.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 2 4 GLY QA 2 8 ALA H 4.000 . 6.000 3.897 3.651 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 2 5 ILE H 2 6 ASP H 3.000 . 3.500 2.683 2.613 2.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 2 5 ILE MG 2 6 ASP H 3.000 . 4.000 3.254 3.178 3.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 2 5 ILE HA 2 6 ASP H 3.000 . 3.500 3.559 3.538 3.573 0.073 21 0 "[ . 1 . 2 . 3 . 4]" 1
234 2 5 ILE HA 2 8 ALA H 4.000 . 5.000 3.416 3.245 3.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 2 6 ASP QB 2 7 LYS H 2.500 . 2.900 2.431 2.226 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 2 6 ASP H 2 7 LYS H 3.000 . 3.500 2.819 2.746 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 2 6 ASP HA 2 7 LYS H 3.000 . 3.500 3.574 3.554 3.588 0.088 24 0 "[ . 1 . 2 . 3 . 4]" 1
238 2 6 ASP H 2 8 ALA H 4.000 . 5.000 4.087 4.008 4.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 2 6 ASP HA 2 9 GLN H 3.000 . 3.500 3.501 3.328 3.618 0.118 28 0 "[ . 1 . 2 . 3 . 4]" 1
240 2 7 LYS H 2 7 LYS QB 3.000 . 3.500 2.372 2.240 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 2 7 LYS HA 2 8 ALA H 3.000 . 3.500 3.539 3.519 3.551 0.051 25 0 "[ . 1 . 2 . 3 . 4]" 1
242 2 7 LYS H 2 8 ALA H 3.000 . 3.500 2.584 2.532 2.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 2 7 LYS QB 2 8 ALA H 2.500 . 2.900 2.545 2.463 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 2 8 ALA H 2 9 GLN H 3.000 . 3.500 2.584 2.537 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 2 8 ALA MB 2 9 GLN H 2.500 . 3.400 2.707 2.532 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 2 8 ALA HA 2 9 GLN H 4.000 . 5.000 3.525 3.467 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 2 9 GLN H 2 10 GLU H 4.000 . 5.000 4.628 4.544 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 2 9 GLN HA 2 10 GLU H 3.000 . 3.500 2.213 2.155 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 2 12 HIS H 2 13 GLU H 4.000 . 5.000 3.915 3.728 4.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 2 12 HIS HA 2 13 GLU H 3.000 . 3.500 2.430 2.271 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 2 13 GLU H 2 14 LYS H 4.000 . 5.000 4.387 4.192 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 2 13 GLU QB 2 14 LYS H 3.000 . 3.500 2.039 1.743 3.157 0.057 1 0 "[ . 1 . 2 . 3 . 4]" 1
253 2 14 LYS H 2 15 TYR H 2.500 . 2.900 2.551 2.446 2.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 2 14 LYS HA 2 15 TYR H 3.000 . 3.500 3.500 3.475 3.541 0.041 22 0 "[ . 1 . 2 . 3 . 4]" 1
255 2 14 LYS QB 2 15 TYR H 2.500 . 2.900 2.806 2.703 2.928 0.028 9 0 "[ . 1 . 2 . 3 . 4]" 1
256 2 14 LYS QB 2 16 HIS H 4.000 . 6.000 4.740 4.545 4.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 2 15 TYR H 2 15 TYR QE 4.000 . 5.000 4.371 4.204 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 2 15 TYR H 2 15 TYR QD 3.000 . 3.500 2.278 2.008 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 2 15 TYR QB 2 16 HIS H 3.000 . 3.500 2.763 2.626 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 2 15 TYR HA 2 16 HIS H 4.000 . 5.000 3.549 3.503 3.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 2 15 TYR H 2 16 HIS H 2.500 . 2.900 2.748 2.679 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 2 15 TYR QD 2 22 MET H 4.000 . 5.000 4.255 3.819 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 2 17 SER QB 2 18 ASN H 3.000 . 3.500 3.346 3.254 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 2 18 ASN H 2 18 ASN QD 4.000 . 5.000 3.682 3.058 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 2 18 ASN HA 2 19 TRP H 4.000 . 5.000 2.345 2.237 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 2 19 TRP H 2 19 TRP HD1 2.500 . 2.900 2.480 2.309 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 2 19 TRP QB 2 20 ARG H 3.000 . 4.000 3.603 3.551 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 2 19 TRP HA 2 20 ARG H 4.000 . 5.000 3.492 3.466 3.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 2 19 TRP HA 2 21 ALA H 4.000 . 6.000 4.205 4.151 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 2 19 TRP HA 2 22 MET H 3.000 . 3.500 3.323 3.215 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 2 19 TRP HA 2 23 ALA H 4.000 . 5.000 4.361 4.056 4.577 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 2 19 TRP HZ3 2 23 ALA H 4.000 . 5.000 4.891 4.565 5.039 0.039 37 0 "[ . 1 . 2 . 3 . 4]" 1
273 2 19 TRP QB 2 34 LYS H 4.000 . 6.000 4.682 4.315 4.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 2 20 ARG H 2 21 ALA H 2.500 . 2.900 2.750 2.711 2.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 2 20 ARG QB 2 21 ALA H 3.000 . 3.500 2.566 2.498 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 2 20 ARG HA 2 21 ALA H 3.000 . 3.500 3.558 3.547 3.573 0.073 25 0 "[ . 1 . 2 . 3 . 4]" 1
277 2 20 ARG H 2 22 MET H 4.000 . 5.000 4.273 4.196 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 2 20 ARG QB 2 22 MET H 4.000 . 5.000 4.716 4.621 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 2 20 ARG HA 2 22 MET H 4.000 . 5.000 4.410 4.291 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 2 20 ARG HA 2 23 ALA H 3.000 . 3.500 3.434 3.293 3.554 0.054 6 0 "[ . 1 . 2 . 3 . 4]" 1
281 2 21 ALA H 2 22 MET H 2.500 . 2.900 2.722 2.662 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 2 21 ALA MB 2 22 MET H 2.500 . 3.400 2.510 2.358 2.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 2 21 ALA HA 2 22 MET H 4.000 . 5.000 3.555 3.537 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 2 21 ALA H 2 23 ALA H 4.000 . 5.000 4.239 4.136 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 2 21 ALA MB 2 23 ALA H 4.000 . 5.500 4.560 4.454 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 2 21 ALA HA 2 23 ALA H 4.000 . 5.000 4.491 4.382 4.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 2 21 ALA HA 2 24 SER H 3.000 . 3.500 3.500 3.383 3.570 0.070 19 0 "[ . 1 . 2 . 3 . 4]" 1
288 2 21 ALA MB 2 24 SER H 4.000 . 5.500 4.637 4.564 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 2 21 ALA MB 2 25 ASP H 4.000 . 5.500 4.433 4.295 4.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 2 21 ALA HA 2 25 ASP H 4.000 . 5.000 3.967 3.794 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 2 22 MET QG 2 23 ALA H 4.000 . 5.000 3.682 3.504 4.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 2 22 MET QB 2 23 ALA H 2.500 . 2.900 2.478 2.282 2.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 2 22 MET H 2 23 ALA H 2.500 . 2.900 2.722 2.640 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 2 22 MET HA 2 23 ALA H 3.000 . 3.500 3.558 3.538 3.577 0.077 33 0 "[ . 1 . 2 . 3 . 4]" 1
295 2 22 MET HA 2 25 ASP H 3.000 . 3.500 3.456 3.340 3.554 0.054 35 0 "[ . 1 . 2 . 3 . 4]" 1
296 2 22 MET H 2 33 ALA MB 4.000 . 6.500 4.693 4.302 5.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 2 23 ALA H 2 24 SER H 2.500 . 2.900 2.689 2.618 2.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 2 23 ALA H 2 24 SER QB 4.000 . 5.000 4.548 4.396 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 2 23 ALA HA 2 24 SER H 3.000 . 3.500 3.553 3.536 3.568 0.068 25 0 "[ . 1 . 2 . 3 . 4]" 1
300 2 23 ALA MB 2 24 SER H 2.500 . 3.400 2.522 2.439 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 2 23 ALA MB 2 25 ASP H 4.000 . 5.500 4.522 4.467 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 2 23 ALA H 2 26 PHE QD 4.000 . 6.000 5.227 5.062 5.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 2 23 ALA HA 2 27 ASN H 4.000 . 6.000 4.257 3.906 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 2 23 ALA MB 2 27 ASN H 4.000 . 5.500 4.714 4.492 4.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 2 23 ALA H 2 28 LEU H 4.000 . 6.000 5.504 5.333 5.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 2 23 ALA H 2 28 LEU QD 4.000 . 6.500 5.920 5.817 6.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 2 23 ALA HA 2 28 LEU H 2.500 . 2.900 2.880 2.653 3.021 0.121 37 0 "[ . 1 . 2 . 3 . 4]" 1
308 2 23 ALA H 2 33 ALA MB 3.000 . 4.000 3.308 2.946 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 2 23 ALA MB 2 33 ALA H 4.000 . 5.500 3.989 3.679 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 2 24 SER HA 2 25 ASP H 3.000 . 3.500 3.549 3.531 3.570 0.070 19 0 "[ . 1 . 2 . 3 . 4]" 1
311 2 24 SER QB 2 25 ASP H 2.500 . 2.900 2.572 2.529 2.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 2 24 SER H 2 25 ASP H 2.500 . 2.900 2.632 2.584 2.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 2 24 SER HA 2 26 PHE H 4.000 . 5.000 4.378 4.312 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 2 24 SER H 2 26 PHE H 4.000 . 5.000 4.212 4.132 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 2 24 SER HA 2 27 ASN H 4.000 . 5.000 3.190 3.060 3.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 2 25 ASP H 2 26 PHE H 2.500 . 2.900 2.735 2.699 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 2 25 ASP QB 2 26 PHE H 2.500 . 2.900 2.579 2.514 2.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 2 25 ASP HA 2 26 PHE H 3.000 . 3.500 3.551 3.541 3.562 0.062 5 0 "[ . 1 . 2 . 3 . 4]" 1
319 2 26 PHE H 2 26 PHE QD 2.500 . 2.900 2.540 2.154 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 2 26 PHE H 2 27 ASN H 2.500 . 2.900 2.307 2.194 2.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 2 26 PHE HA 2 27 ASN H 4.000 . 5.000 3.293 3.257 3.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 2 26 PHE H 2 27 ASN HA 4.000 . 5.000 4.540 4.445 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 2 26 PHE H 2 28 LEU H 4.000 . 5.000 3.832 3.717 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 2 26 PHE H 2 28 LEU QD 4.000 . 6.500 4.328 4.264 4.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 2 27 ASN H 2 28 LEU H 2.500 . 2.900 2.866 2.797 2.940 0.040 5 0 "[ . 1 . 2 . 3 . 4]" 1
326 2 27 ASN QB 2 28 LEU H 4.000 . 5.000 3.894 3.869 3.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 2 27 ASN HA 2 28 LEU H 2.500 . 2.900 2.781 2.683 2.854 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 2 27 ASN H 2 28 LEU QB 4.000 . 6.000 4.779 4.674 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 2 27 ASN H 2 28 LEU HG 4.000 . 6.000 4.381 4.161 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 2 28 LEU MD2 2 32 VAL H 4.000 . 6.500 5.071 4.777 5.415 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 2 28 LEU HA 2 29 PRO HD3 3.000 . 3.300 2.376 2.215 2.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 2 28 LEU HA 2 32 VAL H 4.000 . 6.000 5.914 5.807 6.085 0.085 10 0 "[ . 1 . 2 . 3 . 4]" 1
333 2 28 LEU HA 2 29 PRO HD2 3.000 . 3.300 2.450 2.374 2.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 2 28 LEU H 2 33 ALA MB 4.000 . 5.500 5.357 5.072 5.565 0.065 34 0 "[ . 1 . 2 . 3 . 4]" 1
335 2 28 LEU QB 2 33 ALA H 4.000 . 5.000 3.937 3.754 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 2 28 LEU QD 2 33 ALA H 4.000 . 5.500 4.602 4.460 4.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 2 29 PRO HA 2 30 PRO HD3 3.000 . 3.300 2.376 2.251 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 2 29 PRO HA 2 30 PRO HD2 3.000 . 3.300 2.432 2.317 2.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 2 29 PRO QB 2 31 VAL H 3.000 . 3.500 2.454 2.372 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 2 29 PRO QB 2 32 VAL H 4.000 . 5.000 4.042 3.151 4.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 2 30 PRO HA 2 31 VAL H 3.000 . 3.500 3.481 3.442 3.503 0.003 37 0 "[ . 1 . 2 . 3 . 4]" 1
342 2 30 PRO QG 2 31 VAL H 4.000 . 5.000 3.727 2.836 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 2 30 PRO QB 2 31 VAL H 3.000 . 3.500 3.138 2.873 3.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 2 30 PRO HA 2 33 ALA H 3.000 . 3.500 3.433 3.290 3.526 0.026 11 0 "[ . 1 . 2 . 3 . 4]" 1
345 2 30 PRO HA 2 34 LYS H 4.000 . 5.000 3.495 3.241 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 2 31 VAL H 2 31 VAL HB 2.500 . 2.900 2.459 2.390 2.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 2 31 VAL H 2 32 VAL H 2.500 . 2.900 2.905 2.841 3.009 0.109 36 0 "[ . 1 . 2 . 3 . 4]" 1
348 2 31 VAL HA 2 32 VAL H 3.000 . 3.500 3.581 3.563 3.596 0.096 10 0 "[ . 1 . 2 . 3 . 4]" 1
349 2 31 VAL HA 2 33 ALA H 4.000 . 5.000 4.672 4.568 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 2 31 VAL H 2 33 ALA H 3.000 . 5.000 4.179 4.077 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 2 31 VAL HA 2 34 LYS H 3.000 . 3.500 3.697 3.628 3.814 0.314 8 0 "[ . 1 . 2 . 3 . 4]" 1
352 2 31 VAL HA 2 35 GLU H 4.000 . 5.000 4.076 3.651 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 2 32 VAL HB 2 33 ALA H 2.500 . 2.900 2.587 2.441 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 2 32 VAL H 2 33 ALA H 2.500 . 2.900 2.644 2.570 2.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 2 32 VAL HA 2 33 ALA H 3.000 . 3.500 3.554 3.540 3.568 0.068 38 0 "[ . 1 . 2 . 3 . 4]" 1
356 2 32 VAL H 2 34 LYS H 4.000 . 5.000 4.160 4.059 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 2 32 VAL HA 2 35 GLU H 3.000 . 3.500 3.530 3.432 3.603 0.103 16 0 "[ . 1 . 2 . 3 . 4]" 1
358 2 32 VAL HA 2 36 ILE H 4.000 . 5.000 4.410 4.093 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 2 33 ALA H 2 34 LYS H 2.500 . 2.900 2.739 2.662 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 2 33 ALA MB 2 34 LYS H 2.500 . 3.400 2.481 2.378 2.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 2 33 ALA HA 2 34 LYS H 4.000 . 5.000 3.580 3.554 3.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 2 33 ALA H 2 35 GLU H 4.000 . 5.000 4.178 4.079 4.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 2 33 ALA HA 2 36 ILE H 3.000 . 3.500 3.530 3.458 3.597 0.097 30 0 "[ . 1 . 2 . 3 . 4]" 1
364 2 33 ALA HA 2 37 VAL H 4.000 . 5.000 4.452 4.248 4.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 2 34 LYS QG 2 35 GLU H 4.000 . 5.000 4.211 4.142 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 2 34 LYS H 2 35 GLU H 2.500 . 2.900 2.721 2.674 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 2 34 LYS QB 2 35 GLU H 2.500 . 2.900 2.662 2.600 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 2 34 LYS HA 2 37 VAL H 3.000 . 3.500 3.348 3.216 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 2 34 LYS H 2 37 VAL QG 4.000 . 5.500 4.554 4.299 4.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 2 34 LYS HA 2 38 ALA H 4.000 . 5.000 4.169 3.766 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 2 35 GLU HA 2 36 ILE H 4.000 . 5.000 3.570 3.558 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 2 35 GLU QB 2 36 ILE H 3.000 . 3.500 2.564 2.443 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 2 35 GLU H 2 36 ILE H 2.500 . 2.900 2.762 2.718 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 2 35 GLU HA 2 37 VAL H 4.000 . 5.000 4.363 4.280 4.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 2 35 GLU H 2 37 VAL H 4.000 . 5.000 4.176 4.109 4.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 2 35 GLU HA 2 38 ALA H 3.000 . 3.500 3.298 3.168 3.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 2 35 GLU HA 2 39 SER H 4.000 . 5.000 4.189 3.789 4.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 2 36 ILE H 2 37 VAL H 2.500 . 3.000 2.645 2.590 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 2 36 ILE MG 2 37 VAL H 3.000 . 4.000 3.357 3.190 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 2 36 ILE HB 2 37 VAL H 2.500 . 2.900 2.626 2.508 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 2 36 ILE HB 2 38 ALA H 4.000 . 5.000 5.003 4.914 5.049 0.049 28 0 "[ . 1 . 2 . 3 . 4]" 1
382 2 36 ILE HA 2 38 ALA H 4.000 . 5.000 4.338 4.262 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 2 36 ILE H 2 38 ALA H 4.000 . 5.000 4.069 4.011 4.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 2 36 ILE HA 2 39 SER H 3.000 . 3.500 3.320 3.197 3.519 0.019 17 0 "[ . 1 . 2 . 3 . 4]" 1
385 2 37 VAL H 2 38 ALA H 2.500 . 2.900 2.632 2.577 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 2 37 VAL HB 2 38 ALA H 2.500 . 2.900 2.618 2.549 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 2 37 VAL QG 2 38 ALA H 3.000 . 4.000 3.154 3.116 3.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 2 37 VAL HA 2 38 ALA H 3.000 . 3.500 3.536 3.525 3.552 0.052 28 0 "[ . 1 . 2 . 3 . 4]" 1
389 2 37 VAL H 2 38 ALA MB 4.000 . 5.500 4.320 4.236 4.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 2 37 VAL HB 2 39 SER H 4.000 . 5.000 4.961 4.861 5.082 0.082 37 0 "[ . 1 . 2 . 3 . 4]" 1
391 2 37 VAL HA 2 39 SER H 4.000 . 5.000 4.279 4.087 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 2 37 VAL HA 2 40 CYS H 3.000 . 3.500 3.517 3.421 3.586 0.086 21 0 "[ . 1 . 2 . 3 . 4]" 1
393 2 37 VAL QG 2 40 CYS H 4.000 . 6.500 4.368 4.277 4.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 2 38 ALA H 2 39 SER H 2.500 . 2.900 2.613 2.534 2.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 2 38 ALA MB 2 39 SER H 2.500 . 3.400 2.663 2.497 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 2 38 ALA MB 2 40 CYS H 4.000 . 5.500 4.590 4.447 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 2 38 ALA HA 2 40 CYS H 4.000 . 5.000 4.429 4.211 4.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 2 38 ALA H 2 40 CYS H 4.000 . 5.000 4.192 3.999 4.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 2 39 SER H 2 39 SER QB 3.000 . 3.500 2.402 2.315 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 2 39 SER QB 2 40 CYS H 3.000 . 3.500 2.646 2.570 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 2 39 SER HA 2 40 CYS H 3.000 . 3.500 3.549 3.499 3.577 0.077 15 0 "[ . 1 . 2 . 3 . 4]" 1
402 2 39 SER H 2 40 CYS H 2.500 . 2.900 2.580 2.463 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 2 40 CYS HA 2 41 ASP H 2.500 . 2.900 2.187 2.148 2.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 2 40 CYS QB 2 43 CYS H 3.000 . 3.500 2.829 2.599 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 2 41 ASP H 2 42 LYS H 4.000 . 5.000 2.763 2.726 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 2 41 ASP QB 2 42 LYS H 3.000 . 3.500 2.603 2.557 2.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 2 41 ASP HA 2 42 LYS H 3.000 . 3.500 3.552 3.537 3.569 0.069 20 0 "[ . 1 . 2 . 3 . 4]" 1
408 2 41 ASP HA 2 43 CYS H 4.000 . 5.000 4.354 4.125 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 2 41 ASP HA 2 44 GLN H 3.000 . 3.500 3.337 3.140 3.656 0.156 14 0 "[ . 1 . 2 . 3 . 4]" 1
410 2 42 LYS QB 2 43 CYS H 3.000 . 3.500 2.597 2.453 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 2 42 LYS QG 2 43 CYS H 4.000 . 5.000 4.135 3.960 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 2 42 LYS H 2 43 CYS H 2.500 . 2.900 2.770 2.707 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 2 43 CYS HA 2 44 GLN H 3.000 . 3.500 3.531 3.477 3.593 0.093 14 0 "[ . 1 . 2 . 3 . 4]" 1
414 2 43 CYS H 2 44 GLN H 3.000 . 3.500 2.506 2.418 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 2 43 CYS QB 2 44 GLN H 3.000 . 3.500 2.665 2.131 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 2 43 CYS H 2 45 LEU H 4.000 . 5.000 4.829 4.432 5.038 0.038 10 0 "[ . 1 . 2 . 3 . 4]" 1
417 2 44 GLN H 2 45 LEU H 3.000 . 3.500 2.956 2.831 3.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 2 44 GLN HA 2 45 LEU H 3.000 . 3.500 3.576 3.556 3.599 0.099 35 0 "[ . 1 . 2 . 3 . 4]" 1
419 2 44 GLN H 2 45 LEU HG 4.000 . 5.000 4.830 4.586 5.025 0.025 15 0 "[ . 1 . 2 . 3 . 4]" 1
420 2 44 GLN H 2 45 LEU QD 4.000 . 6.500 5.031 4.866 5.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 2 45 LEU QB 2 46 LYS H 3.000 . 3.500 3.238 2.694 3.836 0.336 16 0 "[ . 1 . 2 . 3 . 4]" 1
422 2 45 LEU QD 2 46 LYS H 4.000 . 5.500 3.595 3.294 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 2 46 LYS H 2 46 LYS HA 2.500 . 2.900 2.954 2.913 2.976 0.076 2 0 "[ . 1 . 2 . 3 . 4]" 1
424 2 46 LYS HA 2 47 GLY H 4.000 . 5.000 3.024 2.166 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 2 48 GLU QB 2 49 ALA H 4.000 . 5.000 3.239 1.827 4.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 2 49 ALA H 2 49 ALA MB 3.000 . 4.000 2.459 2.099 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 2 49 ALA HA 2 50 MET H 3.000 . 3.500 2.822 2.172 3.588 0.088 36 0 "[ . 1 . 2 . 3 . 4]" 1
428 2 49 ALA MB 2 50 MET H 4.000 . 5.500 2.742 1.773 3.732 0.027 24 0 "[ . 1 . 2 . 3 . 4]" 1
429 2 52 GLY QA 2 53 GLN H 3.000 . 3.500 2.335 2.147 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 2 53 GLN HA 2 54 VAL H 2.500 . 3.000 2.443 2.163 3.252 0.252 38 0 "[ . 1 . 2 . 3 . 4]" 1
431 2 54 VAL H 2 54 VAL MG2 3.000 . 4.000 2.801 1.784 4.038 0.038 40 0 "[ . 1 . 2 . 3 . 4]" 1
432 2 54 VAL HA 2 55 ASP H 2.500 . 3.000 2.431 2.176 3.310 0.310 10 0 "[ . 1 . 2 . 3 . 4]" 1
433 2 54 VAL HB 2 55 ASP H 4.000 . 5.000 4.009 2.983 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 2 55 ASP H 2 55 ASP HB3 3.000 . 3.500 3.033 2.508 3.755 0.255 35 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 1 PHE HA 1 2 LEU QD 4.000 . 5.500 4.925 4.698 5.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 1 PHE QB 1 5 ILE MD 4.000 . 5.500 3.814 2.880 4.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 1 PHE QB 1 5 ILE MG 4.000 . 6.500 6.179 5.363 6.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 2 LEU HA 1 5 ILE MD 3.000 . 4.000 2.328 2.258 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 2 LEU HA 1 5 ILE HB 3.000 . 3.300 2.640 2.362 2.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 2 LEU QD 1 3 ASP HA 4.000 . 6.500 5.142 5.087 5.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 3 ASP QB 1 5 ILE MG 4.000 . 6.500 6.688 6.624 6.778 0.278 15 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 3 ASP HA 1 6 ASP QB 3.000 . 3.300 2.877 2.633 3.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 3 ASP HA 1 5 ILE MG 4.000 . 6.500 5.865 5.757 6.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 4 GLY QA 1 7 LYS QB 3.000 . 3.300 3.185 3.012 3.318 0.018 20 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 5 ILE HA 1 8 ALA MB 3.000 . 3.800 2.326 2.267 2.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 5 ILE MG 1 9 GLN HA 4.000 . 6.500 4.166 4.008 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 5 ILE MG 1 9 GLN QG 3.000 . 4.000 4.031 3.828 4.115 0.115 4 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 6 ASP QB 1 7 LYS QB 4.000 . 6.000 4.234 3.543 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 6 ASP QB 1 7 LYS QG 4.000 . 5.000 3.536 3.058 5.387 0.387 28 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 6 ASP HA 1 9 GLN QB 3.000 . 3.300 2.688 2.461 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 7 LYS QB 1 26 PHE QD 4.000 . 5.000 4.308 3.771 5.003 0.003 27 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 7 LYS QD 1 26 PHE HZ 4.000 . 5.000 4.511 3.263 5.049 0.049 24 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 8 ALA MB 1 26 PHE QD 4.000 . 5.000 3.656 3.216 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 8 ALA MB 1 28 LEU QD 4.000 . 5.500 3.668 3.112 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 8 ALA MB 1 36 ILE MD 3.000 . 3.800 2.070 1.953 2.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 9 GLN HA 1 16 HIS HE1 4.000 . 5.000 4.965 4.624 5.100 0.100 17 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 9 GLN HA 1 36 ILE MG 3.000 . 3.800 3.093 2.606 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 9 GLN QG 1 36 ILE MG 3.000 . 3.800 3.579 2.971 3.867 0.067 9 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 12 HIS HD2 1 13 GLU HA 4.000 . 5.000 4.489 4.295 4.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 12 HIS HD2 1 13 GLU QB 4.000 . 6.000 6.078 5.950 6.186 0.186 27 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 12 HIS QB 1 16 HIS HE1 4.000 . 5.000 3.896 3.550 4.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 12 HIS HE1 1 42 LYS QB 4.000 . 6.000 3.361 2.743 4.010 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 12 HIS HE1 1 43 CYS HA 2.500 . 2.700 2.868 2.792 2.961 0.261 31 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 14 LYS QG 1 15 TYR QD 4.000 . 6.000 5.156 4.547 5.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 14 LYS QG 1 15 TYR QE 4.000 . 6.000 5.954 5.155 6.090 0.090 23 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 14 LYS HA 1 15 TYR QD 4.000 . 6.000 5.435 5.182 5.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 14 LYS QB 1 15 TYR QD 4.000 . 6.000 3.681 3.353 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 15 TYR QD 1 21 ALA MB 2.500 . 3.200 2.870 2.527 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 15 TYR QE 1 21 ALA MB 2.500 . 3.200 3.246 3.165 3.347 0.147 27 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 15 TYR QD 1 22 MET HA 4.000 . 5.000 4.296 3.581 5.036 0.036 9 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 16 HIS HE1 1 43 CYS QB 4.000 . 6.000 5.932 5.733 6.049 0.049 30 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 16 HIS HE1 1 36 ILE MG 4.000 . 5.500 4.029 3.596 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 16 HIS HE1 1 40 CYS HA 4.000 . 6.000 5.314 4.897 5.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 16 HIS HE1 1 40 CYS QB 4.000 . 5.000 3.395 2.820 3.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 18 ASN HA 1 21 ALA MB 4.000 . 5.500 4.691 4.528 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 18 ASN QB 1 21 ALA MB 3.000 . 3.800 2.592 2.450 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 19 TRP HE3 1 20 ARG HA 2.500 . 2.700 2.718 2.578 2.776 0.076 15 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 19 TRP HH2 1 20 ARG QB 4.000 . 6.000 4.946 4.867 5.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 19 TRP HH2 1 20 ARG QG 4.000 . 6.000 2.958 2.842 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 19 TRP HZ3 1 20 ARG HA 4.000 . 5.000 3.065 2.926 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 19 TRP HA 1 22 MET QB 4.000 . 5.000 2.875 2.751 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 19 TRP HA 1 22 MET QG 4.000 . 5.000 4.914 4.471 5.045 0.045 6 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 19 TRP HD1 1 22 MET ME 4.000 . 6.500 6.178 5.803 6.647 0.147 37 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 19 TRP HH2 1 23 ALA MB 4.000 . 5.500 4.701 4.443 4.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 19 TRP HE3 1 23 ALA MB 2.500 . 3.200 2.766 2.316 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 19 TRP HZ3 1 23 ALA MB 3.000 . 3.800 2.768 2.506 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 19 TRP HH2 1 30 PRO QB 4.000 . 5.000 2.737 2.418 3.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 19 TRP HZ2 1 30 PRO HA 4.000 . 6.000 5.920 5.691 6.053 0.053 4 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 19 TRP HZ2 1 30 PRO QB 4.000 . 6.000 4.104 3.777 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 19 TRP HZ3 1 30 PRO HA 3.000 . 3.300 2.592 2.309 3.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 19 TRP HZ3 1 30 PRO QB 4.000 . 5.000 2.633 2.358 3.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 19 TRP HE3 1 30 PRO HA 3.000 . 3.300 3.336 3.146 3.423 0.123 1 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 19 TRP HE3 1 30 PRO QB 4.000 . 5.000 3.979 3.778 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 19 TRP HD1 1 33 ALA MB 4.000 . 6.500 5.438 5.236 5.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 19 TRP HA 1 33 ALA MB 3.000 . 3.800 3.624 3.253 3.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 19 TRP QB 1 33 ALA MB 3.000 . 3.800 2.329 2.217 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 19 TRP HE3 1 33 ALA MB 2.500 . 3.200 2.281 2.068 2.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 19 TRP HZ3 1 33 ALA MB 4.000 . 5.500 3.507 3.199 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 19 TRP HZ2 1 34 LYS QE 3.000 . 3.300 3.350 3.163 3.440 0.140 23 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 19 TRP HH2 1 34 LYS QE 4.000 . 5.000 3.862 3.346 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 19 TRP HZ3 1 34 LYS QE 4.000 . 6.000 4.498 4.160 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 20 ARG HA 1 23 ALA MB 2.500 . 3.200 2.658 2.402 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 20 ARG HA 1 21 ALA MB 4.000 . 6.500 5.045 5.019 5.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 20 ARG HA 1 33 ALA MB 4.000 . 5.500 4.269 4.060 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 20 ARG QB 1 23 ALA MB 4.000 . 6.500 4.111 3.974 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 21 ALA MB 1 22 MET HA 4.000 . 6.500 3.829 3.794 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 21 ALA MB 1 24 SER QB 4.000 . 5.500 4.044 3.913 4.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 21 ALA HA 1 24 SER QB 3.000 . 3.300 2.731 2.552 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 22 MET HA 1 25 ASP QB 3.000 . 3.300 2.597 2.441 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 22 MET HA 1 26 PHE QD 3.000 . 3.300 3.326 3.191 3.431 0.131 37 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 22 MET HA 1 26 PHE QE 4.000 . 6.000 3.989 3.725 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 22 MET QB 1 26 PHE QD 4.000 . 5.000 4.421 4.168 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 22 MET QG 1 26 PHE QD 4.000 . 5.000 2.629 2.235 3.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 22 MET ME 1 26 PHE QD 4.000 . 5.500 5.118 4.336 5.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 22 MET QB 1 33 ALA MB 4.000 . 5.500 2.976 2.370 3.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 22 MET ME 1 33 ALA HA 3.000 . 3.800 2.944 2.022 3.838 0.038 12 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 22 MET ME 1 33 ALA MB 2.500 . 3.200 2.792 2.059 3.336 0.136 31 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 22 MET ME 1 36 ILE MG 3.000 . 4.000 2.630 2.247 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 23 ALA MB 1 24 SER QB 4.000 . 6.500 3.964 3.724 4.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 23 ALA MB 1 24 SER HA 4.000 . 5.500 3.836 3.810 3.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 23 ALA MB 1 26 PHE QB 4.000 . 5.500 4.794 4.657 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 23 ALA MB 1 27 ASN HA 4.000 . 6.500 4.604 4.281 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 23 ALA HA 1 27 ASN HA 4.000 . 6.000 5.047 4.672 5.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 23 ALA MB 1 28 LEU HA 4.000 . 6.500 4.966 4.861 5.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 23 ALA MB 1 28 LEU HG 4.000 . 5.500 5.485 5.374 5.590 0.090 6 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 23 ALA HA 1 28 LEU HA 4.000 . 6.000 5.232 5.028 5.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 23 ALA HA 1 28 LEU QD 3.000 . 3.800 3.873 3.786 3.952 0.152 5 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 23 ALA HA 1 28 LEU QB 3.000 . 3.300 2.902 2.718 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 24 SER QB 1 27 ASN HA 4.000 . 6.000 5.047 4.802 5.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 24 SER HA 1 27 ASN HA 4.000 . 6.000 3.074 2.772 3.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 26 PHE QB 1 28 LEU QD 3.000 . 4.000 1.978 1.916 2.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 26 PHE QB 1 28 LEU HG 3.000 . 3.300 2.475 2.251 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 26 PHE QD 1 28 LEU QD 4.000 . 5.500 3.247 2.988 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 28 LEU QD 1 29 PRO QD 4.000 . 5.500 2.544 2.320 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 28 LEU QB 1 29 PRO QD 4.000 . 6.000 2.296 2.235 2.736 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 28 LEU QD 1 29 PRO QG 4.000 . 5.500 4.002 3.762 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 29 PRO QD 1 32 VAL QG 3.000 . 4.000 3.153 2.938 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 30 PRO HA 1 33 ALA MB 2.500 . 3.200 2.441 2.269 2.788 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 31 VAL HA 1 34 LYS QB 3.000 . 3.300 2.798 2.556 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 32 VAL HA 1 35 GLU QB 3.000 . 3.300 2.856 2.674 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 33 ALA HA 1 36 ILE HB 3.000 . 3.500 3.102 2.916 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 33 ALA HA 1 36 ILE QG 4.000 . 6.000 3.615 3.000 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 33 ALA HA 1 36 ILE MG 4.000 . 5.500 4.420 4.265 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 33 ALA HA 1 36 ILE MD 2.500 . 3.200 2.432 2.279 3.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 33 ALA MB 1 36 ILE MG 4.000 . 7.000 5.032 4.877 5.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 34 LYS HA 1 37 VAL HB 3.000 . 3.300 2.627 2.402 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 35 GLU HA 1 38 ALA MB 2.500 . 3.200 2.565 2.377 2.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 36 ILE MG 1 37 VAL HA 4.000 . 6.000 3.427 3.323 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 36 ILE MG 1 37 VAL MG1 4.000 . 6.000 4.962 4.735 5.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 36 ILE HA 1 39 SER QB 3.000 . 3.300 2.695 2.408 3.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 36 ILE HA 1 39 SER HA 4.000 . 6.000 5.362 5.129 5.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 37 VAL MG2 1 38 ALA HA 4.000 . 5.500 5.440 5.410 5.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 37 VAL QG 1 43 CYS QB 4.000 . 5.500 2.069 1.934 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 38 ALA MB 1 39 SER HA 4.000 . 5.500 3.838 3.778 3.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 40 CYS QB 1 43 CYS QB 4.000 . 5.000 2.286 2.241 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 42 LYS HA 1 45 LEU HG 4.000 . 6.000 5.952 5.572 6.146 0.146 32 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 44 GLN HA 1 45 LEU QD 4.000 . 5.500 4.678 4.422 4.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 2 1 PHE HA 2 2 LEU QD 4.000 . 5.500 4.927 4.700 5.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 2 1 PHE QB 2 5 ILE MD 4.000 . 5.500 3.815 2.883 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 2 1 PHE QB 2 5 ILE MG 4.000 . 6.500 6.179 5.370 6.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 2 2 LEU HA 2 5 ILE MD 3.000 . 4.000 2.329 2.257 2.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 2 2 LEU HA 2 5 ILE HB 3.000 . 3.300 2.637 2.370 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 2 2 LEU QD 2 3 ASP HA 4.000 . 6.500 5.143 5.085 5.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 2 3 ASP QB 2 5 ILE MG 4.000 . 6.500 6.689 6.631 6.737 0.237 32 0 "[ . 1 . 2 . 3 . 4]" 1
565 2 3 ASP HA 2 6 ASP QB 3.000 . 3.300 2.884 2.639 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 2 3 ASP HA 2 5 ILE MG 4.000 . 6.500 5.867 5.757 5.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 2 4 GLY QA 2 7 LYS QB 3.000 . 3.300 3.189 3.013 3.364 0.064 20 0 "[ . 1 . 2 . 3 . 4]" 1
568 2 5 ILE HA 2 8 ALA MB 3.000 . 3.800 2.323 2.257 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 2 5 ILE MG 2 9 GLN HA 4.000 . 6.500 4.167 4.005 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 2 5 ILE MG 2 9 GLN QG 3.000 . 4.000 4.029 3.838 4.112 0.112 4 0 "[ . 1 . 2 . 3 . 4]" 1
571 2 6 ASP QB 2 7 LYS QB 4.000 . 6.000 4.236 3.592 4.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 2 6 ASP QB 2 7 LYS QG 4.000 . 5.000 3.537 3.046 5.428 0.428 28 0 "[ . 1 . 2 . 3 . 4]" 1
573 2 6 ASP HA 2 9 GLN QB 3.000 . 3.300 2.680 2.461 2.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 2 7 LYS QB 2 26 PHE QD 4.000 . 5.000 4.310 3.769 4.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 2 7 LYS QD 2 26 PHE HZ 4.000 . 5.000 4.511 3.264 5.049 0.049 24 0 "[ . 1 . 2 . 3 . 4]" 1
576 2 8 ALA MB 2 26 PHE QD 4.000 . 5.000 3.653 3.274 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 2 8 ALA MB 2 28 LEU QD 4.000 . 5.500 3.667 3.126 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 2 8 ALA MB 2 36 ILE MD 3.000 . 3.800 2.067 1.951 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 2 9 GLN HA 2 16 HIS HE1 4.000 . 5.000 4.968 4.623 5.102 0.102 17 0 "[ . 1 . 2 . 3 . 4]" 1
580 2 9 GLN HA 2 36 ILE MG 3.000 . 3.800 3.096 2.622 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 2 9 GLN QG 2 36 ILE MG 3.000 . 3.800 3.582 2.992 3.882 0.082 9 0 "[ . 1 . 2 . 3 . 4]" 1
582 2 12 HIS HD2 2 13 GLU HA 4.000 . 5.000 4.486 4.277 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 2 12 HIS HD2 2 13 GLU QB 4.000 . 6.000 6.077 5.901 6.224 0.224 27 0 "[ . 1 . 2 . 3 . 4]" 1
584 2 12 HIS QB 2 16 HIS HE1 4.000 . 5.000 3.896 3.519 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 2 12 HIS HE1 2 42 LYS QB 4.000 . 6.000 3.360 2.777 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 2 12 HIS HE1 2 43 CYS HA 2.500 . 2.700 2.871 2.806 2.945 0.245 19 0 "[ . 1 . 2 . 3 . 4]" 1
587 2 14 LYS QG 2 15 TYR QD 4.000 . 6.000 5.158 4.555 5.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 2 14 LYS QG 2 15 TYR QE 4.000 . 6.000 5.956 5.175 6.097 0.097 8 0 "[ . 1 . 2 . 3 . 4]" 1
589 2 14 LYS HA 2 15 TYR QD 4.000 . 6.000 5.434 5.167 5.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 2 14 LYS QB 2 15 TYR QD 4.000 . 6.000 3.684 3.360 4.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 2 15 TYR QD 2 21 ALA MB 2.500 . 3.200 2.868 2.528 3.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 2 15 TYR QE 2 21 ALA MB 2.500 . 3.200 3.243 3.132 3.337 0.137 13 0 "[ . 1 . 2 . 3 . 4]" 1
593 2 15 TYR QD 2 22 MET HA 4.000 . 5.000 4.294 3.582 5.018 0.018 9 0 "[ . 1 . 2 . 3 . 4]" 1
594 2 16 HIS HE1 2 43 CYS QB 4.000 . 6.000 5.937 5.740 6.051 0.051 15 0 "[ . 1 . 2 . 3 . 4]" 1
595 2 16 HIS HE1 2 36 ILE MG 4.000 . 5.500 4.036 3.599 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 2 16 HIS HE1 2 40 CYS HA 4.000 . 6.000 5.319 4.978 5.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 2 16 HIS HE1 2 40 CYS QB 4.000 . 5.000 3.399 2.895 3.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 2 18 ASN HA 2 21 ALA MB 4.000 . 5.500 4.693 4.533 4.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 2 18 ASN QB 2 21 ALA MB 3.000 . 3.800 2.596 2.430 2.772 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 2 19 TRP HE3 2 20 ARG HA 2.500 . 2.700 2.716 2.576 2.792 0.092 13 0 "[ . 1 . 2 . 3 . 4]" 1
601 2 19 TRP HH2 2 20 ARG QB 4.000 . 6.000 4.943 4.845 5.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 2 19 TRP HH2 2 20 ARG QG 4.000 . 6.000 2.956 2.830 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 2 19 TRP HZ3 2 20 ARG HA 4.000 . 5.000 3.062 2.936 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 2 19 TRP HA 2 22 MET QB 4.000 . 5.000 2.874 2.770 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 2 19 TRP HA 2 22 MET QG 4.000 . 5.000 4.913 4.465 5.047 0.047 6 0 "[ . 1 . 2 . 3 . 4]" 1
606 2 19 TRP HD1 2 22 MET ME 4.000 . 6.500 6.175 5.795 6.651 0.151 37 0 "[ . 1 . 2 . 3 . 4]" 1
607 2 19 TRP HH2 2 23 ALA MB 4.000 . 5.500 4.698 4.408 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 2 19 TRP HE3 2 23 ALA MB 2.500 . 3.200 2.763 2.316 3.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 2 19 TRP HZ3 2 23 ALA MB 3.000 . 3.800 2.764 2.477 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 2 19 TRP HH2 2 30 PRO QB 4.000 . 5.000 2.734 2.419 3.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 2 19 TRP HZ2 2 30 PRO HA 4.000 . 6.000 5.921 5.694 6.067 0.067 21 0 "[ . 1 . 2 . 3 . 4]" 1
612 2 19 TRP HZ2 2 30 PRO QB 4.000 . 6.000 4.102 3.775 4.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 2 19 TRP HZ3 2 30 PRO HA 3.000 . 3.300 2.594 2.309 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 2 19 TRP HZ3 2 30 PRO QB 4.000 . 5.000 2.630 2.365 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 2 19 TRP HE3 2 30 PRO HA 3.000 . 3.300 3.337 3.151 3.421 0.121 1 0 "[ . 1 . 2 . 3 . 4]" 1
616 2 19 TRP HE3 2 30 PRO QB 4.000 . 5.000 3.976 3.758 4.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 2 19 TRP HD1 2 33 ALA MB 4.000 . 6.500 5.440 5.246 5.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 2 19 TRP HA 2 33 ALA MB 3.000 . 3.800 3.627 3.294 3.803 0.003 37 0 "[ . 1 . 2 . 3 . 4]" 1
619 2 19 TRP QB 2 33 ALA MB 3.000 . 3.800 2.333 2.218 2.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 2 19 TRP HE3 2 33 ALA MB 2.500 . 3.200 2.283 2.068 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 2 19 TRP HZ3 2 33 ALA MB 4.000 . 5.500 3.506 3.203 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 2 19 TRP HZ2 2 34 LYS QE 3.000 . 3.300 3.350 3.159 3.442 0.142 32 0 "[ . 1 . 2 . 3 . 4]" 1
623 2 19 TRP HH2 2 34 LYS QE 4.000 . 5.000 3.861 3.356 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 2 19 TRP HZ3 2 34 LYS QE 4.000 . 6.000 4.499 4.167 4.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 2 20 ARG HA 2 23 ALA MB 2.500 . 3.200 2.656 2.404 2.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 2 20 ARG HA 2 21 ALA MB 4.000 . 6.500 5.045 5.018 5.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 2 20 ARG HA 2 33 ALA MB 4.000 . 5.500 4.270 4.062 4.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 2 20 ARG QB 2 23 ALA MB 4.000 . 6.500 4.110 3.934 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 2 21 ALA MB 2 22 MET HA 4.000 . 6.500 3.830 3.794 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 2 21 ALA MB 2 24 SER QB 4.000 . 5.500 4.044 3.880 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 2 21 ALA HA 2 24 SER QB 3.000 . 3.300 2.730 2.490 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 2 22 MET HA 2 25 ASP QB 3.000 . 3.300 2.603 2.446 2.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 2 22 MET HA 2 26 PHE QD 3.000 . 3.300 3.327 3.191 3.428 0.128 37 0 "[ . 1 . 2 . 3 . 4]" 1
634 2 22 MET HA 2 26 PHE QE 4.000 . 6.000 3.984 3.737 4.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 2 22 MET QB 2 26 PHE QD 4.000 . 5.000 4.419 4.170 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 2 22 MET QG 2 26 PHE QD 4.000 . 5.000 2.624 2.235 3.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 2 22 MET ME 2 26 PHE QD 4.000 . 5.500 5.115 4.333 5.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 2 22 MET QB 2 33 ALA MB 4.000 . 5.500 2.975 2.420 3.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 2 22 MET ME 2 33 ALA HA 3.000 . 3.800 2.941 2.024 3.837 0.037 12 0 "[ . 1 . 2 . 3 . 4]" 1
640 2 22 MET ME 2 33 ALA MB 2.500 . 3.200 2.786 2.055 3.340 0.140 4 0 "[ . 1 . 2 . 3 . 4]" 1
641 2 22 MET ME 2 36 ILE MG 3.000 . 4.000 2.628 2.249 3.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 2 23 ALA MB 2 24 SER QB 4.000 . 6.500 3.965 3.723 4.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 2 23 ALA MB 2 24 SER HA 4.000 . 5.500 3.835 3.801 3.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 2 23 ALA MB 2 26 PHE QB 4.000 . 5.500 4.795 4.653 4.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 2 23 ALA MB 2 27 ASN HA 4.000 . 6.500 4.609 4.254 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 2 23 ALA HA 2 27 ASN HA 4.000 . 6.000 5.053 4.650 5.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 2 23 ALA MB 2 28 LEU HA 4.000 . 6.500 4.970 4.874 5.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 2 23 ALA MB 2 28 LEU HG 4.000 . 5.500 5.489 5.378 5.588 0.088 6 0 "[ . 1 . 2 . 3 . 4]" 1
649 2 23 ALA HA 2 28 LEU HA 4.000 . 6.000 5.234 5.037 5.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 2 23 ALA HA 2 28 LEU QD 3.000 . 3.800 3.874 3.788 3.951 0.151 5 0 "[ . 1 . 2 . 3 . 4]" 1
651 2 23 ALA HA 2 28 LEU QB 3.000 . 3.300 2.902 2.715 3.214 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 2 23 ALA HA 2 33 ALA MB 2.500 . 3.200 3.255 2.975 3.355 0.155 4 0 "[ . 1 . 2 . 3 . 4]" 1
653 2 23 ALA MB 2 33 ALA MB 4.000 . 6.000 2.317 2.112 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 2 24 SER QB 2 27 ASN HA 4.000 . 6.000 5.049 4.803 5.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 2 24 SER HA 2 27 ASN HA 4.000 . 6.000 3.076 2.775 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 2 26 PHE QB 2 28 LEU MD1 3.000 . 4.000 1.987 1.929 2.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 2 26 PHE QB 2 28 LEU MD2 3.000 . 4.000 3.606 3.405 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 2 26 PHE QB 2 28 LEU HG 3.000 . 3.300 2.473 2.252 2.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 2 26 PHE QD 2 28 LEU QD 4.000 . 5.500 3.249 2.990 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 2 28 LEU MD2 2 29 PRO QD 4.000 . 5.500 2.570 2.337 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 2 28 LEU MD1 2 29 PRO QD 4.000 . 5.500 4.116 3.994 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 2 28 LEU QB 2 29 PRO QD 4.000 . 6.000 2.298 2.250 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 2 28 LEU MD2 2 29 PRO QG 4.000 . 5.500 4.120 3.853 4.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 2 29 PRO QD 2 32 VAL QG 3.000 . 4.000 3.150 2.943 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 2 30 PRO HA 2 33 ALA MB 2.500 . 3.200 2.437 2.283 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 2 31 VAL HA 2 34 LYS QB 3.000 . 3.300 2.803 2.557 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 2 32 VAL HA 2 35 GLU QB 3.000 . 3.300 2.858 2.648 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 2 33 ALA HA 2 36 ILE HB 3.000 . 3.500 3.095 2.946 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 2 33 ALA HA 2 36 ILE QG 4.000 . 6.000 3.613 2.990 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 2 33 ALA HA 2 36 ILE MG 4.000 . 5.500 4.416 4.275 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 2 33 ALA HA 2 36 ILE MD 2.500 . 3.200 2.436 2.283 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 2 33 ALA MB 2 36 ILE MG 4.000 . 7.000 5.029 4.886 5.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 2 34 LYS HA 2 37 VAL HB 3.000 . 3.300 2.622 2.404 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 2 35 GLU HA 2 38 ALA MB 2.500 . 3.200 2.564 2.372 2.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 2 36 ILE MG 2 37 VAL HA 4.000 . 6.000 3.428 3.322 3.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 2 36 ILE MG 2 37 VAL MG1 4.000 . 6.000 4.963 4.735 5.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 2 36 ILE HA 2 39 SER QB 3.000 . 3.300 2.695 2.416 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 2 36 ILE HA 2 39 SER HA 4.000 . 6.000 5.364 5.141 5.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 2 37 VAL MG2 2 38 ALA HA 4.000 . 5.500 5.442 5.411 5.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 2 37 VAL QG 2 43 CYS QB 4.000 . 5.500 2.071 1.934 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 2 38 ALA MB 2 39 SER HA 4.000 . 5.500 3.839 3.776 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 2 40 CYS QB 2 43 CYS QB 4.000 . 5.000 2.289 2.236 2.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 2 42 LYS HA 2 45 LEU HG 4.000 . 6.000 5.953 5.550 6.148 0.148 32 0 "[ . 1 . 2 . 3 . 4]" 1
684 2 44 GLN HA 2 45 LEU QD 4.000 . 5.500 4.679 4.417 4.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 1 PHE HZ 2 28 LEU MD2 3.000 . 3.800 3.857 3.775 3.947 0.147 29 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 28 LEU QD 2 1 PHE HZ 3.000 . 3.800 3.797 3.713 3.881 0.081 15 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 1 PHE QE 2 32 VAL MG2 3.000 . 3.800 2.395 2.129 3.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 32 VAL MG2 2 1 PHE QE 3.000 . 3.800 2.374 2.151 3.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 1 PHE QD 2 32 VAL HA 4.000 . 5.000 5.562 5.320 5.957 0.957 16 24 "[ . ***1** *+***** **. **-**** .** *4]" 1
690 1 32 VAL HA 2 1 PHE QD 4.000 . 5.000 5.545 5.278 5.915 0.915 16 27 "[ * .-** ** **+********.*** ** **. ***4]" 1
691 1 1 PHE QD 2 32 VAL MG2 2.500 . 3.200 3.177 2.848 3.360 0.160 16 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 32 VAL MG2 2 1 PHE QD 2.500 . 3.200 3.160 2.922 3.379 0.179 16 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 1 PHE QD 2 28 LEU MD2 4.000 . 5.500 5.058 4.627 5.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 28 LEU QD 2 1 PHE QD 4.000 . 5.500 4.883 4.536 5.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 29 PRO QG 2 1 PHE QB 4.000 . 5.000 2.650 2.237 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 1 PHE QB 2 29 PRO QG 4.000 . 5.000 2.666 2.422 3.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 2 LEU QD 2 29 PRO HA 4.000 . 6.500 4.431 3.898 4.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 29 PRO HA 2 2 LEU QD 4.000 . 6.500 4.401 3.893 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 2 LEU QD 2 29 PRO QG 3.000 . 3.800 3.879 3.713 3.990 0.190 19 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 29 PRO QG 2 2 LEU QD 3.000 . 3.800 3.875 3.742 3.982 0.182 31 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 2 LEU HG 2 29 PRO QD 4.000 . 6.000 5.842 5.627 6.064 0.064 13 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 29 PRO QD 2 2 LEU HG 4.000 . 6.000 5.825 5.502 6.060 0.060 16 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 5 ILE MD 2 29 PRO QG 4.000 . 5.500 5.224 4.837 5.601 0.101 33 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 29 PRO QG 2 5 ILE MD 4.000 . 5.500 5.218 4.681 5.576 0.076 33 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 5 ILE MD 2 31 VAL HA 4.000 . 5.000 3.846 3.528 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 31 VAL HA 2 5 ILE MD 4.000 . 5.000 3.821 3.519 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 31 VAL QG 2 31 VAL QG 2.500 . 3.200 3.160 2.768 3.289 0.089 11 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 31 VAL HB 2 32 VAL QG 4.000 . 5.500 4.581 4.295 4.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 31 VAL HA 2 32 VAL QG 4.000 . 5.500 5.446 5.276 5.600 0.100 14 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 32 VAL QG 2 31 VAL HB 4.000 . 5.500 4.588 4.215 4.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 32 VAL QG 2 31 VAL HA 4.000 . 5.500 5.458 5.283 5.582 0.082 9 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 31 VAL HA 2 35 GLU QG 3.000 . 3.300 2.417 2.256 2.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 35 GLU QG 2 31 VAL HA 3.000 . 3.300 2.416 2.247 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 31 VAL QG 2 35 GLU QG 3.000 . 3.800 2.247 2.044 2.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 35 GLU QG 2 31 VAL QG 3.000 . 3.800 2.234 2.092 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 32 VAL HA 2 32 VAL QG 4.000 . 5.500 5.340 5.092 5.544 0.044 38 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 32 VAL QG 2 32 VAL HA 4.000 . 5.500 5.338 5.131 5.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 32 VAL QG 2 29 PRO QG 4.000 . 5.500 5.395 5.221 5.650 0.150 27 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 29 PRO QG 2 32 VAL QG 4.000 . 5.500 5.394 5.190 5.652 0.152 33 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 35 GLU QG 2 35 GLU QB 3.000 . 3.300 3.241 2.184 4.697 1.397 3 10 "[* +*. 1 * . - 2 *.* 3 .*** 4]" 1
721 1 35 GLU QB 2 35 GLU QG 3.000 . 3.300 3.241 2.164 4.708 1.408 3 10 "[* +*. 1 * . - 2 *.* 3 .*** 4]" 1
722 1 35 GLU HA 2 38 ALA MB 4.000 . 5.500 3.707 3.481 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 38 ALA MB 2 35 GLU HA 4.000 . 5.500 3.695 3.482 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 38 ALA HA 2 38 ALA MB 3.000 . 3.800 3.597 3.340 3.825 0.025 27 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 38 ALA MB 2 38 ALA HA 3.000 . 3.800 3.607 3.311 3.850 0.050 10 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 45 LEU HG 2 45 LEU QD 4.000 . 5.500 4.644 3.935 5.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 45 LEU QD 2 45 LEU HG 4.000 . 5.500 4.642 3.909 5.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 45 LEU HA 2 45 LEU QD 3.000 . 3.800 3.865 3.651 4.008 0.208 21 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 45 LEU QD 2 45 LEU HA 3.000 . 3.800 3.871 3.652 3.998 0.198 32 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 45 LEU QD 2 45 LEU QD 2.500 . 3.200 2.472 1.861 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 49 ALA HA 2 49 ALA MB 3.000 . 4.000 3.677 2.292 4.239 0.239 7 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 49 ALA MB 2 49 ALA HA 3.000 . 4.000 3.689 2.315 4.223 0.223 7 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 50 MET HA 2 50 MET QB 4.000 . 5.500 5.451 4.654 5.742 0.242 7 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 50 MET QB 2 50 MET HA 4.000 . 5.500 5.449 4.641 5.707 0.207 7 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 51 HIS HA 2 51 HIS QB 4.000 . 5.500 5.153 2.436 5.758 0.258 20 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 51 HIS QB 2 51 HIS HA 4.000 . 5.500 5.154 2.456 5.779 0.279 20 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 54 VAL HB 2 54 VAL QG 4.000 . 5.500 4.853 2.932 5.569 0.069 17 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 54 VAL QG 2 54 VAL HB 4.000 . 5.500 4.858 3.028 5.582 0.082 17 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 1 PHE QB 1 28 LEU QD 4.000 . 5.500 5.677 4.207 6.133 0.633 12 3 "[ . 1 + . 2 . 3 .* -]" 1
740 1 1 PHE HA 1 29 PRO QG 4.000 . 6.000 7.450 6.924 8.270 2.270 27 40 [**************************+**-**********] 1
741 1 1 PHE QD 1 28 LEU QD 4.000 . 5.500 5.357 3.777 5.935 0.435 12 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 1 PHE HA 1 28 LEU QD 4.000 . 5.500 4.469 4.088 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 1 PHE QD 1 31 VAL QG 4.000 . 6.000 5.083 4.671 5.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 1 PHE QE 1 31 VAL QG 4.000 . 6.000 4.592 4.148 5.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 1 PHE QD 1 5 ILE MG 4.000 . 5.500 7.184 6.564 7.534 2.034 20 40 [*******-***********+********************] 1
746 1 1 PHE QE 1 5 ILE MG 4.000 . 6.500 8.848 8.216 9.226 2.726 20 40 [*******-***********+********************] 1
747 1 1 PHE QD 1 5 ILE MD 3.000 . 3.800 4.572 3.793 5.072 1.272 20 36 "[****.** *1-** *****+********************]" 1
748 1 1 PHE QE 1 5 ILE MD 4.000 . 5.500 6.307 5.507 6.827 1.327 20 37 "[******* *1-** *****+********************]" 1
749 1 5 ILE HB 1 28 LEU QD 4.000 . 5.500 6.207 5.786 6.382 0.882 28 38 "[******* *1**********-******+************]" 1
750 1 5 ILE MD 1 28 LEU QD 4.000 . 6.000 5.228 4.677 5.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 5 ILE HB 1 31 VAL QG 4.000 . 5.500 8.618 8.320 8.932 3.432 19 40 [******************+******************-**] 1
752 1 37 VAL QG 1 44 GLN QE 4.000 . 5.500 5.993 3.876 7.433 1.933 10 22 "[ ** **+* * . **** **** **** .* *-]" 1
753 1 37 VAL HA 1 44 GLN QE 4.000 . 5.000 8.210 5.835 9.250 4.250 32 40 [*************-*****************+********] 1
754 1 38 ALA MB 1 44 GLN QE 4.000 . 5.500 4.377 2.129 6.044 0.544 10 1 "[ . + . 2 . 3 . 4]" 1
755 1 38 ALA HA 1 44 GLN QE 3.000 . 3.500 4.443 1.513 6.269 2.769 10 35 "[*** *****+*-* * ****** ****************]" 1
756 1 39 SER HA 1 44 GLN QE 3.000 . 3.500 5.976 4.196 6.582 3.082 3 40 [*-+*************************************] 1
757 1 44 GLN QE 1 45 LEU HG 4.000 . 6.500 3.396 2.899 4.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 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 28
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 4.909
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0614
_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 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 22 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 32 VAL 0.060 0.060 12 0 "[ . 1 . 2 . 3 . 4]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ILE 0.060 0.060 12 0 "[ . 1 . 2 . 3 . 4]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 22 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 24 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 31 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 32 VAL 0.062 0.062 12 0 "[ . 1 . 2 . 3 . 4]"
2 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 35 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 36 ILE 0.062 0.062 12 0 "[ . 1 . 2 . 3 . 4]"
2 37 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
2 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 20 ARG O 1 24 SER N 3.300 2.300 3.500 2.982 2.697 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 20 ARG O 1 24 SER H 2.300 . 2.500 2.034 1.773 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 21 ALA O 1 25 ASP N 3.300 2.300 3.500 2.816 2.685 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 21 ALA O 1 25 ASP H 2.300 . 2.500 1.881 1.746 2.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 22 MET O 1 26 PHE N 3.300 2.300 3.500 3.091 3.022 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 22 MET O 1 26 PHE H 2.300 . 2.500 2.156 2.085 2.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 31 VAL O 1 35 GLU N 3.300 2.300 3.500 3.032 2.720 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 31 VAL O 1 35 GLU H 2.300 . 2.500 2.109 1.813 2.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 32 VAL O 1 36 ILE N 3.300 2.300 3.500 3.224 2.967 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 32 VAL O 1 36 ILE H 2.300 . 2.500 2.294 2.034 2.560 0.060 12 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 33 ALA O 1 37 VAL N 3.300 2.300 3.500 3.191 3.030 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 33 ALA O 1 37 VAL H 2.300 . 2.500 2.258 2.086 2.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 34 LYS O 1 38 ALA N 3.300 2.300 3.500 2.900 2.614 3.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 34 LYS O 1 38 ALA H 2.300 . 2.500 1.982 1.685 2.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 2 20 ARG O 2 24 SER N 3.300 2.300 3.500 2.980 2.701 3.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
16 2 20 ARG O 2 24 SER H 2.300 . 2.500 2.032 1.772 2.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 2 21 ALA O 2 25 ASP N 3.300 2.300 3.500 2.819 2.676 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
18 2 21 ALA O 2 25 ASP H 2.300 . 2.500 1.884 1.742 2.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 2 22 MET O 2 26 PHE N 3.300 2.300 3.500 3.092 3.021 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
20 2 22 MET O 2 26 PHE H 2.300 . 2.500 2.156 2.085 2.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 2 31 VAL O 2 35 GLU N 3.300 2.300 3.500 3.037 2.714 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 2 31 VAL O 2 35 GLU H 2.300 . 2.500 2.114 1.806 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 2 32 VAL O 2 36 ILE N 3.300 2.300 3.500 3.223 2.961 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 2 32 VAL O 2 36 ILE H 2.300 . 2.500 2.295 2.028 2.562 0.062 12 0 "[ . 1 . 2 . 3 . 4]" 2
25 2 33 ALA O 2 37 VAL N 3.300 2.300 3.500 3.187 3.027 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
26 2 33 ALA O 2 37 VAL H 2.300 . 2.500 2.253 2.087 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 2 34 LYS O 2 38 ALA N 3.300 2.300 3.500 2.896 2.614 3.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
28 2 34 LYS O 2 38 ALA H 2.300 . 2.500 1.978 1.683 2.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
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