NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374006 |
1e4u   |
4621 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e4u
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 400
_Distance_constraint_stats_list.Viol_count 691
_Distance_constraint_stats_list.Viol_total 744.682
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0359
_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 9 GLU 0.061 0.061 6 0 "[ . 1 . 2 . 3]"
1 10 ASP 0.061 0.061 6 0 "[ . 1 . 2 . 3]"
1 11 PRO 0.007 0.007 29 0 "[ . 1 . 2 . 3]"
1 12 VAL 0.454 0.189 17 0 "[ . 1 . 2 . 3]"
1 13 GLU 0.021 0.021 1 0 "[ . 1 . 2 . 3]"
1 14 CYS 0.497 0.070 24 0 "[ . 1 . 2 . 3]"
1 15 PRO 0.168 0.034 2 0 "[ . 1 . 2 . 3]"
1 16 LEU 2.328 0.097 9 0 "[ . 1 . 2 . 3]"
1 17 CYS 3.522 0.152 3 0 "[ . 1 . 2 . 3]"
1 18 MET 3.265 0.152 3 0 "[ . 1 . 2 . 3]"
1 19 GLU 0.381 0.106 12 0 "[ . 1 . 2 . 3]"
1 20 PRO 0.406 0.066 19 0 "[ . 1 . 2 . 3]"
1 21 LEU 1.895 0.076 29 0 "[ . 1 . 2 . 3]"
1 22 GLU 0.042 0.019 15 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.584 0.051 16 0 "[ . 1 . 2 . 3]"
1 24 ASP 0.392 0.051 16 0 "[ . 1 . 2 . 3]"
1 25 ASP 0.192 0.035 16 0 "[ . 1 . 2 . 3]"
1 26 ILE 1.236 0.250 20 0 "[ . 1 . 2 . 3]"
1 27 ASN 1.300 0.124 18 0 "[ . 1 . 2 . 3]"
1 28 PHE 0.845 0.056 10 0 "[ . 1 . 2 . 3]"
1 29 PHE 6.650 0.237 18 0 "[ . 1 . 2 . 3]"
1 30 PRO 0.435 0.056 10 0 "[ . 1 . 2 . 3]"
1 31 CYS 0.097 0.040 28 0 "[ . 1 . 2 . 3]"
1 32 THR 0.022 0.021 18 0 "[ . 1 . 2 . 3]"
1 33 CYS 0.001 0.001 5 0 "[ . 1 . 2 . 3]"
1 34 GLY 1.527 0.086 10 0 "[ . 1 . 2 . 3]"
1 35 TYR 1.852 0.073 5 0 "[ . 1 . 2 . 3]"
1 36 GLN 0.847 0.085 16 0 "[ . 1 . 2 . 3]"
1 37 ILE 0.395 0.052 22 0 "[ . 1 . 2 . 3]"
1 38 CYS 0.071 0.027 23 0 "[ . 1 . 2 . 3]"
1 39 ARG 0.325 0.038 11 0 "[ . 1 . 2 . 3]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 CYS 0.594 0.059 4 0 "[ . 1 . 2 . 3]"
1 42 TRP 0.394 0.036 24 0 "[ . 1 . 2 . 3]"
1 43 HIS 0.080 0.021 8 0 "[ . 1 . 2 . 3]"
1 44 ARG 0.080 0.025 2 0 "[ . 1 . 2 . 3]"
1 45 ILE 0.734 0.142 24 0 "[ . 1 . 2 . 3]"
1 46 ARG 0.187 0.035 19 0 "[ . 1 . 2 . 3]"
1 47 THR 0.020 0.020 20 0 "[ . 1 . 2 . 3]"
1 48 ASP 0.031 0.014 5 0 "[ . 1 . 2 . 3]"
1 49 GLU 0.067 0.020 26 0 "[ . 1 . 2 . 3]"
1 50 ASN 0.129 0.022 24 0 "[ . 1 . 2 . 3]"
1 51 GLY 0.784 0.106 19 0 "[ . 1 . 2 . 3]"
1 52 LEU 1.993 0.098 20 0 "[ . 1 . 2 . 3]"
1 53 CYS 1.421 0.133 2 0 "[ . 1 . 2 . 3]"
1 54 PRO 0.094 0.021 26 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.624 0.061 27 0 "[ . 1 . 2 . 3]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 ARG 0.905 0.061 6 0 "[ . 1 . 2 . 3]"
1 58 LYS 0.020 0.020 13 0 "[ . 1 . 2 . 3]"
1 59 PRO 1.401 0.133 2 0 "[ . 1 . 2 . 3]"
1 60 TYR 1.908 0.098 20 0 "[ . 1 . 2 . 3]"
1 61 PRO 3.192 0.237 18 0 "[ . 1 . 2 . 3]"
1 62 GLU 0.039 0.022 21 0 "[ . 1 . 2 . 3]"
1 63 ASP 0.039 0.022 21 0 "[ . 1 . 2 . 3]"
1 64 PRO 0.125 0.041 6 0 "[ . 1 . 2 . 3]"
1 65 ALA 0.446 0.083 14 0 "[ . 1 . 2 . 3]"
1 66 VAL 1.327 0.179 6 0 "[ . 1 . 2 . 3]"
1 67 TYR 1.012 0.179 6 0 "[ . 1 . 2 . 3]"
1 68 LYS 0.006 0.006 6 0 "[ . 1 . 2 . 3]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 LEU 0.058 0.029 26 0 "[ . 1 . 2 . 3]"
1 71 SER 0.058 0.029 26 0 "[ . 1 . 2 . 3]"
1 72 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 9 GLU HA 1 10 ASP H 2.000 . 3.000 2.455 2.185 3.061 0.061 6 0 "[ . 1 . 2 . 3]" 1
2 1 9 GLU HB3 1 10 ASP H 3.460 . 4.460 3.561 1.953 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 11 PRO HA 1 12 VAL H 2.000 . 3.000 2.528 2.225 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 11 PRO QB 1 12 VAL H 3.000 . 4.000 2.834 1.907 4.007 0.007 29 0 "[ . 1 . 2 . 3]" 1
5 1 12 VAL H 1 12 VAL HB 2.000 . 3.000 2.779 2.441 3.013 0.013 11 0 "[ . 1 . 2 . 3]" 1
6 1 12 VAL H 1 21 LEU MD1 4.000 . 5.000 4.266 3.359 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 12 VAL HA 1 12 VAL MG1 2.000 . 3.000 2.255 1.957 3.189 0.189 17 0 "[ . 1 . 2 . 3]" 1
8 1 12 VAL HA 1 12 VAL MG2 2.000 . 3.000 2.477 2.164 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 12 VAL HA 1 13 GLU H 2.000 . 3.000 2.355 2.188 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 12 VAL HA 1 13 GLU QB 4.000 . 5.000 4.373 3.903 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 12 VAL HA 1 21 LEU MD1 4.000 . 5.000 3.741 2.916 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 12 VAL HB 1 21 LEU MD1 3.000 . 4.000 2.387 1.790 4.007 0.007 17 0 "[ . 1 . 2 . 3]" 1
13 1 12 VAL HB 1 26 ILE MD 4.000 . 5.000 3.512 2.335 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 12 VAL HB 1 26 ILE MG 4.000 . 5.000 3.841 1.991 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 12 VAL QG 1 21 LEU MD1 4.000 . 5.000 2.057 1.664 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 12 VAL MG1 1 21 LEU H 5.000 . 6.000 4.875 3.156 5.657 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 12 VAL MG1 1 21 LEU QB 4.000 . 5.000 3.525 1.927 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 12 VAL MG1 1 21 LEU MD1 4.000 . 5.000 2.192 1.668 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 12 VAL MG1 1 21 LEU MD2 4.000 . 5.000 4.232 3.107 5.010 0.010 17 0 "[ . 1 . 2 . 3]" 1
20 1 12 VAL MG2 1 13 GLU H 4.000 . 5.000 4.086 3.763 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 12 VAL MG2 1 21 LEU QB 4.000 . 5.000 3.764 1.817 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 12 VAL MG2 1 21 LEU MD1 4.000 . 5.000 3.380 1.669 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 12 VAL MG2 1 26 ILE HB 4.000 . 5.000 4.615 3.667 5.014 0.014 14 0 "[ . 1 . 2 . 3]" 1
24 1 12 VAL O 1 21 LEU H 2.000 . 2.500 2.366 2.107 2.526 0.026 20 0 "[ . 1 . 2 . 3]" 1
25 1 12 VAL O 1 21 LEU N 3.000 2.300 3.500 3.267 3.034 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 13 GLU HA 1 14 CYS H 2.000 . 3.000 2.237 2.179 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 13 GLU HA 1 21 LEU H 2.000 . 3.000 2.559 1.964 3.021 0.021 1 0 "[ . 1 . 2 . 3]" 1
28 1 13 GLU QB 1 14 CYS H 3.000 . 4.000 3.124 2.334 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 13 GLU QB 1 18 MET HA 4.000 . 5.000 3.545 3.006 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 14 CYS H 1 19 GLU H 4.000 . 5.000 3.131 2.120 5.070 0.070 24 0 "[ . 1 . 2 . 3]" 1
31 1 14 CYS H 1 21 LEU H 4.000 . 5.000 3.830 2.942 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 14 CYS H 1 21 LEU QB 4.000 . 5.000 4.293 3.635 5.011 0.011 25 0 "[ . 1 . 2 . 3]" 1
33 1 14 CYS H 1 21 LEU MD1 5.000 . 6.000 2.932 2.124 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 14 CYS H 1 21 LEU MD2 3.000 . 4.000 3.737 3.276 4.036 0.036 22 0 "[ . 1 . 2 . 3]" 1
35 1 14 CYS HA 1 15 PRO QD 4.000 . 5.000 1.869 1.837 1.893 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 14 CYS HA 1 21 LEU MD2 4.000 . 5.000 3.808 3.129 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 14 CYS HA 1 38 CYS H 4.000 . 5.000 4.011 3.220 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 14 CYS HB2 1 18 MET H 4.000 . 5.000 4.739 3.863 5.041 0.041 9 0 "[ . 1 . 2 . 3]" 1
39 1 14 CYS HB2 1 19 GLU H 4.000 . 5.000 3.964 3.184 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 14 CYS HB2 1 21 LEU MD2 4.000 . 5.000 3.266 2.635 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 14 CYS HB2 1 38 CYS H 3.000 . 4.000 3.117 2.256 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 14 CYS HB2 1 38 CYS QB 4.000 . 5.000 2.056 1.816 3.995 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 14 CYS HB3 1 17 CYS H 4.000 . 5.000 2.965 2.569 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 14 CYS HB3 1 18 MET H 3.000 . 4.000 3.049 2.104 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 14 CYS HB3 1 19 GLU H 3.000 . 4.000 2.832 1.830 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 14 CYS HB3 1 21 LEU MD2 4.000 . 5.000 4.741 4.159 5.036 0.036 17 0 "[ . 1 . 2 . 3]" 1
47 1 14 CYS HB3 1 38 CYS H 5.000 . 6.000 4.183 3.514 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 14 CYS HB3 1 38 CYS QB 4.000 . 5.000 3.259 2.419 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 15 PRO HA 1 16 LEU H 3.000 . 4.000 3.301 3.060 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 15 PRO QD 1 16 LEU H 3.000 . 4.000 2.690 2.285 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 15 PRO QD 1 37 ILE MG 3.000 . 4.000 3.145 1.836 4.034 0.034 2 0 "[ . 1 . 2 . 3]" 1
52 1 15 PRO QD 1 38 CYS H 4.000 . 5.000 4.397 3.673 5.027 0.027 23 0 "[ . 1 . 2 . 3]" 1
53 1 16 LEU H 1 17 CYS H 2.000 . 3.000 2.140 1.874 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 16 LEU H 1 18 MET H 3.000 . 4.000 3.136 2.507 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 16 LEU H 1 37 ILE MG 4.000 . 5.000 4.214 3.004 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 16 LEU HA 1 16 LEU MD2 2.000 . 3.000 2.521 1.956 3.047 0.047 18 0 "[ . 1 . 2 . 3]" 1
57 1 16 LEU HA 1 17 CYS H 4.000 . 5.000 3.516 3.446 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 16 LEU QB 1 17 CYS H 3.000 . 4.000 2.850 2.592 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 16 LEU MD1 1 35 TYR QE 4.000 . 5.000 3.023 1.936 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 16 LEU MD1 1 37 ILE HB 4.000 . 5.000 3.122 1.785 5.009 0.009 28 0 "[ . 1 . 2 . 3]" 1
61 1 16 LEU MD1 1 37 ILE MG 4.000 . 5.000 2.251 1.570 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 16 LEU MD1 1 41 CYS HB2 4.000 . 5.000 4.045 2.595 5.059 0.059 4 0 "[ . 1 . 2 . 3]" 1
63 1 16 LEU MD1 1 41 CYS HB3 4.000 . 5.000 3.327 2.003 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 16 LEU MD1 1 45 ILE MD 4.000 . 5.000 3.345 1.912 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 16 LEU MD1 1 54 PRO QG 4.000 . 5.000 3.391 1.931 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 16 LEU MD2 1 17 CYS H 4.000 . 5.000 4.484 3.824 5.054 0.054 27 0 "[ . 1 . 2 . 3]" 1
67 1 16 LEU MD2 1 35 TYR QD 2.000 . 3.000 3.030 2.855 3.073 0.073 5 0 "[ . 1 . 2 . 3]" 1
68 1 16 LEU MD2 1 35 TYR QE 2.000 . 3.000 1.810 1.693 1.979 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 16 LEU HG 1 17 CYS H 4.000 . 5.000 4.317 3.082 5.097 0.097 9 0 "[ . 1 . 2 . 3]" 1
70 1 17 CYS H 1 18 MET HA 3.000 . 4.000 4.089 4.034 4.152 0.152 3 0 "[ . 1 . 2 . 3]" 1
71 1 18 MET H 1 19 GLU H 4.000 . 5.000 3.431 2.589 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 18 MET HA 1 19 GLU H 3.000 . 4.000 2.438 2.184 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 18 MET QB 1 19 GLU H 3.000 . 4.000 3.780 2.850 4.063 0.063 9 0 "[ . 1 . 2 . 3]" 1
74 1 18 MET QG 1 19 GLU H 3.000 . 4.000 3.638 3.090 4.106 0.106 12 0 "[ . 1 . 2 . 3]" 1
75 1 20 PRO HA 1 21 LEU H 4.000 . 5.000 2.229 2.207 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 20 PRO QB 1 21 LEU H 2.570 . 3.570 3.499 2.702 3.636 0.066 19 0 "[ . 1 . 2 . 3]" 1
77 1 21 LEU H 1 21 LEU MD1 3.000 . 4.000 3.404 2.651 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 21 LEU H 1 21 LEU MD2 3.000 . 4.000 4.012 3.821 4.076 0.076 29 0 "[ . 1 . 2 . 3]" 1
79 1 21 LEU HA 1 21 LEU MD2 2.000 . 3.000 2.152 1.843 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 21 LEU QB 1 22 GLU H 3.460 . 4.460 2.647 1.847 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 21 LEU QB 1 25 ASP HB2 4.000 . 5.000 3.186 2.348 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 21 LEU QB 1 25 ASP HB3 4.000 . 5.000 3.604 2.603 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 21 LEU MD1 1 25 ASP HB2 4.000 . 5.000 4.903 4.590 5.025 0.025 17 0 "[ . 1 . 2 . 3]" 1
84 1 21 LEU MD1 1 25 ASP HB3 4.000 . 5.000 4.612 3.968 5.022 0.022 28 0 "[ . 1 . 2 . 3]" 1
85 1 21 LEU MD1 1 26 ILE HA 4.000 . 5.000 2.978 2.075 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 21 LEU MD1 1 26 ILE MG 4.000 . 5.000 3.841 3.096 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 21 LEU MD1 1 38 CYS QB 4.000 . 5.000 4.399 3.658 5.006 0.006 24 0 "[ . 1 . 2 . 3]" 1
88 1 21 LEU MD2 1 22 GLU H 4.000 . 5.000 3.085 2.570 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 21 LEU MD2 1 25 ASP HB2 4.000 . 5.000 2.937 2.385 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 21 LEU MD2 1 25 ASP HB3 2.000 . 3.000 2.257 1.817 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 21 LEU MD2 1 26 ILE HA 2.000 . 3.000 2.984 2.744 3.041 0.041 12 0 "[ . 1 . 2 . 3]" 1
92 1 21 LEU MD2 1 26 ILE MG 4.000 . 5.000 4.605 4.276 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 21 LEU MD2 1 38 CYS H 4.000 . 5.000 3.700 2.705 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 21 LEU MD2 1 38 CYS HA 2.000 . 3.000 2.346 1.900 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 21 LEU MD2 1 38 CYS QB 3.000 . 4.000 2.879 2.138 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 21 LEU HG 1 22 GLU H 4.000 . 5.000 4.518 4.290 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 22 GLU H 1 25 ASP HB2 3.000 . 4.000 1.966 1.847 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 22 GLU H 1 25 ASP HB3 4.000 . 5.000 3.135 2.591 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 22 GLU HA 1 23 ILE H 2.000 . 3.000 2.789 2.409 3.019 0.019 15 0 "[ . 1 . 2 . 3]" 1
100 1 22 GLU QB 1 23 ILE H 3.000 . 4.000 2.077 1.827 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 22 GLU QB 1 24 ASP H 3.000 . 4.000 3.013 2.510 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 23 ILE H 1 24 ASP H 3.000 . 4.000 2.656 2.387 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 23 ILE HA 1 23 ILE MD 2.000 . 3.000 2.305 1.792 3.011 0.011 25 0 "[ . 1 . 2 . 3]" 1
104 1 23 ILE HA 1 23 ILE MG 3.000 . 4.000 2.475 2.282 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 23 ILE HA 1 24 ASP H 3.000 . 4.000 3.578 3.554 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 23 ILE HA 1 25 ASP H 4.000 . 5.000 3.910 3.606 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 23 ILE HA 1 26 ILE H 3.000 . 4.000 3.785 3.235 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 23 ILE HA 1 26 ILE HB 4.000 . 5.000 3.685 2.654 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 23 ILE HA 1 26 ILE MD 3.000 . 4.000 2.613 1.906 4.029 0.029 20 0 "[ . 1 . 2 . 3]" 1
110 1 23 ILE HA 1 26 ILE MG 4.000 . 5.000 4.671 2.208 5.038 0.038 12 0 "[ . 1 . 2 . 3]" 1
111 1 23 ILE HB 1 24 ASP H 2.000 . 3.000 2.422 1.870 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 23 ILE HB 1 25 ASP H 4.000 . 5.000 4.571 4.075 5.002 0.002 13 0 "[ . 1 . 2 . 3]" 1
113 1 23 ILE MD 1 24 ASP H 4.000 . 5.000 4.175 3.648 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 23 ILE MG 1 24 ASP H 2.000 . 3.000 2.923 2.499 3.051 0.051 16 0 "[ . 1 . 2 . 3]" 1
115 1 23 ILE MG 1 24 ASP HA 4.000 . 5.000 3.187 3.046 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 23 ILE MG 1 26 ILE MD 4.000 . 5.000 3.908 3.069 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 24 ASP H 1 25 ASP H 2.000 . 3.000 2.627 2.392 3.035 0.035 16 0 "[ . 1 . 2 . 3]" 1
118 1 24 ASP H 1 26 ILE H 4.000 . 5.000 4.277 3.798 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 24 ASP HA 1 25 ASP H 3.000 . 4.000 3.333 2.941 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 24 ASP QB 1 25 ASP H 4.000 . 5.000 3.374 2.651 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 25 ASP H 1 26 ILE H 2.000 . 3.000 2.259 1.844 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 25 ASP HA 1 28 PHE HB2 4.000 . 5.000 3.140 2.202 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 25 ASP HA 1 28 PHE HB3 4.000 . 5.000 2.576 1.877 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 25 ASP HB2 1 26 ILE H 4.000 . 5.000 3.172 2.617 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 25 ASP HB2 1 26 ILE HA 4.000 . 5.000 4.510 4.306 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 25 ASP HB3 1 26 ILE H 4.000 . 5.000 3.959 3.319 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 25 ASP HB3 1 26 ILE HA 4.000 . 5.000 4.512 4.135 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 26 ILE H 1 26 ILE HB 2.000 . 3.000 2.388 2.194 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 26 ILE H 1 26 ILE QG 2.570 . 3.570 2.538 1.850 3.820 0.250 20 0 "[ . 1 . 2 . 3]" 1
130 1 26 ILE H 1 26 ILE MG 3.000 . 4.000 3.663 1.809 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 26 ILE H 1 27 ASN H 3.000 . 4.000 2.858 2.307 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 26 ILE HA 1 26 ILE MD 3.000 . 4.000 3.708 1.866 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 26 ILE HA 1 26 ILE MG 2.000 . 3.000 2.501 2.320 3.158 0.158 20 0 "[ . 1 . 2 . 3]" 1
134 1 26 ILE HA 1 27 ASN H 4.000 . 5.000 3.482 2.445 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 26 ILE HA 1 28 PHE H 4.000 . 5.000 3.863 3.537 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 26 ILE HA 1 36 GLN QE 3.000 . 4.000 3.071 1.850 4.022 0.022 25 0 "[ . 1 . 2 . 3]" 1
137 1 26 ILE HB 1 27 ASN H 4.000 . 5.000 2.673 1.966 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 26 ILE QG 1 27 ASN H 4.000 . 5.000 4.125 3.295 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 26 ILE MG 1 27 ASN H 4.000 . 5.000 2.934 1.962 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 26 ILE MG 1 27 ASN HB2 4.000 . 5.000 4.377 2.824 5.004 0.004 10 0 "[ . 1 . 2 . 3]" 1
141 1 26 ILE MG 1 27 ASN HB3 4.000 . 5.000 4.559 3.505 5.112 0.112 14 0 "[ . 1 . 2 . 3]" 1
142 1 26 ILE MG 1 27 ASN QD 4.000 . 5.000 3.855 2.132 5.022 0.022 17 0 "[ . 1 . 2 . 3]" 1
143 1 26 ILE MG 1 36 GLN QE 4.000 . 5.000 2.342 1.580 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 27 ASN H 1 28 PHE H 3.000 . 4.000 2.705 1.879 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 27 ASN HA 1 28 PHE H 3.000 . 4.000 3.252 2.615 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 27 ASN HA 1 29 PHE QD 3.000 . 4.000 3.344 2.803 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 27 ASN HA 1 29 PHE QE 2.000 . 3.000 3.025 2.888 3.124 0.124 18 0 "[ . 1 . 2 . 3]" 1
148 1 27 ASN HB3 1 29 PHE QE 4.000 . 5.000 4.157 2.795 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 28 PHE H 1 36 GLN QE 4.000 . 5.000 4.396 2.108 5.030 0.030 16 0 "[ . 1 . 2 . 3]" 1
150 1 28 PHE HA 1 29 PHE H 2.000 . 3.000 2.256 2.180 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 28 PHE HB2 1 29 PHE H 4.000 . 5.000 4.473 4.210 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 28 PHE QD 1 29 PHE H 3.000 . 4.000 3.700 2.665 4.039 0.039 9 0 "[ . 1 . 2 . 3]" 1
153 1 28 PHE QD 1 30 PRO QD 4.000 . 5.000 4.209 2.200 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 28 PHE QD 1 39 ARG H 4.000 . 5.000 4.659 3.920 5.017 0.017 26 0 "[ . 1 . 2 . 3]" 1
155 1 28 PHE QD 1 39 ARG HA 4.000 . 5.000 4.048 3.396 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 28 PHE QD 1 39 ARG QB 4.000 . 5.000 4.782 4.348 5.038 0.038 11 0 "[ . 1 . 2 . 3]" 1
157 1 28 PHE QD 1 39 ARG QD 3.000 . 4.000 3.602 2.408 4.018 0.018 15 0 "[ . 1 . 2 . 3]" 1
158 1 28 PHE QD 1 39 ARG QG 3.000 . 4.000 3.261 2.372 4.027 0.027 1 0 "[ . 1 . 2 . 3]" 1
159 1 28 PHE QE 1 30 PRO HA 5.000 . 6.000 4.557 2.892 5.220 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 28 PHE QE 1 30 PRO QB 4.000 . 5.000 4.477 3.094 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 28 PHE QE 1 30 PRO QG 4.000 . 5.000 4.931 4.312 5.056 0.056 10 0 "[ . 1 . 2 . 3]" 1
162 1 28 PHE QE 1 37 ILE MD 4.000 . 5.000 4.169 2.579 5.018 0.018 20 0 "[ . 1 . 2 . 3]" 1
163 1 28 PHE QE 1 39 ARG HA 3.000 . 4.000 2.759 2.029 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 28 PHE QE 1 39 ARG QG 5.000 . 6.000 2.787 1.976 3.577 0.024 2 0 "[ . 1 . 2 . 3]" 1
165 1 28 PHE QE 1 42 TRP HB2 3.000 . 4.000 3.227 2.026 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 28 PHE QE 1 42 TRP HB3 4.000 . 5.000 3.015 2.322 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 28 PHE QE 1 42 TRP HE3 5.000 . 6.000 3.795 2.618 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 29 PHE QD 1 34 GLY QA 3.000 . 4.000 4.047 3.927 4.086 0.086 10 0 "[ . 1 . 2 . 3]" 1
169 1 29 PHE QD 1 36 GLN QG 3.000 . 4.000 2.816 1.802 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 29 PHE QD 1 61 PRO QD 3.000 . 4.000 4.106 4.036 4.237 0.237 18 0 "[ . 1 . 2 . 3]" 1
171 1 29 PHE QE 1 36 GLN QB 4.000 . 5.000 4.776 3.983 5.085 0.085 16 0 "[ . 1 . 2 . 3]" 1
172 1 29 PHE QE 1 36 GLN QE 4.000 . 5.000 4.501 2.234 5.041 0.041 28 0 "[ . 1 . 2 . 3]" 1
173 1 29 PHE QE 1 36 GLN QG 4.000 . 5.000 4.646 3.629 5.067 0.067 2 0 "[ . 1 . 2 . 3]" 1
174 1 30 PRO QB 1 42 TRP HD1 4.000 . 5.000 2.009 1.832 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 30 PRO QB 1 42 TRP HE1 3.000 . 4.000 3.409 2.651 4.010 0.010 18 0 "[ . 1 . 2 . 3]" 1
176 1 30 PRO QB 1 60 TYR QE 4.000 . 5.000 2.770 2.579 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 30 PRO HD3 1 36 GLN HA 4.000 . 5.000 2.987 2.255 4.926 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 30 PRO QG 1 60 TYR QE 4.000 . 5.000 3.459 3.161 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 31 CYS HA 1 32 THR H 3.000 . 4.000 2.372 2.241 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 31 CYS HA 1 32 THR MG 4.000 . 5.000 4.169 3.458 5.021 0.021 18 0 "[ . 1 . 2 . 3]" 1
181 1 31 CYS HA 1 33 CYS H 4.000 . 5.000 4.189 3.860 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 31 CYS HA 1 60 TYR QE 4.000 . 5.000 4.669 4.128 5.040 0.040 28 0 "[ . 1 . 2 . 3]" 1
183 1 31 CYS HB2 1 60 TYR QE 3.000 . 4.000 2.930 2.069 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 31 CYS HB3 1 60 TYR QE 4.000 . 5.000 4.441 3.464 5.008 0.008 14 0 "[ . 1 . 2 . 3]" 1
185 1 32 THR H 1 33 CYS H 4.000 . 5.000 2.742 2.306 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 32 THR HA 1 33 CYS H 4.000 . 5.000 3.192 2.490 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 32 THR HA 1 34 GLY H 4.000 . 5.000 3.626 3.155 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 32 THR HB 1 33 CYS H 4.000 . 5.000 4.131 3.197 4.708 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 32 THR MG 1 33 CYS H 5.000 . 6.000 3.700 1.999 4.482 0.001 5 0 "[ . 1 . 2 . 3]" 1
190 1 33 CYS H 1 34 GLY H 3.000 . 4.000 2.455 1.854 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 33 CYS H 1 35 TYR H 4.000 . 5.000 4.035 2.779 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 33 CYS HB3 1 34 GLY H 4.000 . 5.000 4.126 3.803 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 34 GLY H 1 35 TYR H 3.000 . 4.000 2.521 1.856 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 34 GLY QA 1 35 TYR H 4.000 . 5.000 2.804 2.435 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 35 TYR H 1 55 ALA MB 4.000 . 5.000 4.219 3.652 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 35 TYR HA 1 36 GLN H 2.000 . 3.000 2.493 2.203 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 35 TYR HB2 1 55 ALA MB 4.000 . 5.000 2.357 1.843 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 35 TYR HB3 1 55 ALA MB 2.000 . 3.000 2.943 2.413 3.059 0.059 5 0 "[ . 1 . 2 . 3]" 1
199 1 35 TYR QD 1 36 GLN H 4.000 . 5.000 4.222 3.533 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 35 TYR QD 1 37 ILE MG 4.000 . 5.000 3.259 2.644 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 35 TYR QD 1 54 PRO QD 3.000 . 4.000 2.795 2.218 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 35 TYR QD 1 54 PRO QG 4.000 . 5.000 3.127 2.068 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 35 TYR QD 1 55 ALA H 3.000 . 4.000 3.919 3.490 4.061 0.061 27 0 "[ . 1 . 2 . 3]" 1
204 1 35 TYR QD 1 55 ALA MB 2.000 . 3.000 2.539 2.155 3.016 0.016 21 0 "[ . 1 . 2 . 3]" 1
205 1 35 TYR QE 1 54 PRO QB 4.000 . 5.000 3.792 3.007 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 35 TYR QE 1 54 PRO QD 3.000 . 4.000 3.426 1.855 4.021 0.021 26 0 "[ . 1 . 2 . 3]" 1
207 1 35 TYR QE 1 54 PRO QG 2.560 . 3.560 2.514 2.029 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 35 TYR QE 1 55 ALA MB 3.000 . 4.000 3.114 2.569 4.026 0.026 4 0 "[ . 1 . 2 . 3]" 1
209 1 36 GLN HA 1 37 ILE H 2.000 . 3.000 2.310 2.179 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 36 GLN QB 1 37 ILE H 4.000 . 5.000 3.067 1.834 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 37 ILE HA 1 37 ILE HB 2.000 . 3.000 2.455 2.334 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 37 ILE HA 1 37 ILE MG 2.000 . 3.000 2.365 2.010 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 37 ILE HA 1 38 CYS H 2.000 . 3.000 2.636 2.266 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 37 ILE HB 1 38 CYS H 2.000 . 3.000 2.235 1.858 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 37 ILE HB 1 41 CYS HB2 4.000 . 5.000 2.584 1.866 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 37 ILE HB 1 41 CYS HB3 4.000 . 5.000 2.953 1.866 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 37 ILE MD 1 38 CYS H 4.000 . 5.000 3.655 2.559 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 37 ILE MD 1 41 CYS H 5.000 . 6.000 3.788 2.964 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 37 ILE MD 1 41 CYS HB2 3.000 . 4.000 2.619 1.791 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 37 ILE MD 1 41 CYS HB3 3.000 . 4.000 2.304 1.788 4.036 0.036 6 0 "[ . 1 . 2 . 3]" 1
221 1 37 ILE MD 1 42 TRP H 3.000 . 4.000 2.714 2.045 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 37 ILE MD 1 42 TRP HA 4.000 . 5.000 2.534 1.774 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 37 ILE MD 1 42 TRP HB2 4.000 . 5.000 2.114 1.809 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 37 ILE MD 1 42 TRP HB3 3.000 . 4.000 3.361 2.954 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 37 ILE MD 1 42 TRP HD1 4.000 . 5.000 3.207 2.071 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 37 ILE MD 1 45 ILE MD 4.000 . 5.000 2.468 1.678 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 37 ILE MG 1 38 CYS H 3.000 . 4.000 3.701 3.289 4.000 0.000 10 0 "[ . 1 . 2 . 3]" 1
228 1 37 ILE MG 1 41 CYS HB2 4.000 . 5.000 3.957 3.151 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 37 ILE MG 1 41 CYS HB3 3.000 . 4.000 3.558 2.409 4.052 0.052 22 0 "[ . 1 . 2 . 3]" 1
230 1 37 ILE MG 1 54 PRO QG 3.460 . 4.460 3.899 3.058 4.479 0.019 8 0 "[ . 1 . 2 . 3]" 1
231 1 38 CYS H 1 41 CYS HB2 4.000 . 5.000 2.652 2.055 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 38 CYS HA 1 39 ARG H 2.000 . 3.000 2.530 2.357 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 38 CYS QB 1 39 ARG H 3.000 . 4.000 2.476 2.000 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 38 CYS QB 1 40 PHE H 4.000 . 5.000 2.992 2.512 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 39 ARG H 1 40 PHE H 3.000 . 4.000 2.543 2.354 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 39 ARG HA 1 40 PHE H 4.000 . 5.000 3.451 3.349 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 39 ARG HA 1 42 TRP H 3.000 . 4.000 3.370 3.158 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 39 ARG HA 1 42 TRP HB2 4.000 . 5.000 4.001 3.310 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 39 ARG HA 1 42 TRP HB3 4.000 . 5.000 2.902 2.611 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 39 ARG HA 1 42 TRP HE3 3.000 . 4.000 3.827 3.444 4.021 0.021 14 0 "[ . 1 . 2 . 3]" 1
241 1 39 ARG HA 1 43 HIS HD2 4.000 . 5.000 4.079 3.340 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 39 ARG QB 1 42 TRP HE3 4.000 . 5.000 4.600 4.097 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 39 ARG HB3 1 40 PHE H 4.000 . 5.000 3.624 2.850 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 39 ARG QG 1 42 TRP HE3 5.000 . 6.000 4.072 3.127 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 39 ARG QG 1 43 HIS HD2 4.000 . 5.000 4.195 2.919 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 40 PHE H 1 41 CYS H 3.000 . 4.000 2.414 2.219 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 40 PHE HA 1 41 CYS H 4.000 . 5.000 3.440 3.398 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 40 PHE HA 1 43 HIS H 4.000 . 5.000 3.660 2.922 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 40 PHE HA 1 43 HIS QB 4.000 . 5.000 2.874 2.098 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 40 PHE QB 1 41 CYS H 3.000 . 4.000 3.062 2.561 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 41 CYS H 1 42 TRP H 3.000 . 4.000 2.289 2.201 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 41 CYS HA 1 42 TRP H 4.000 . 5.000 3.510 3.430 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 41 CYS HA 1 44 ARG H 3.000 . 4.000 3.813 3.475 4.025 0.025 2 0 "[ . 1 . 2 . 3]" 1
254 1 41 CYS HA 1 44 ARG QB 3.460 . 4.460 3.283 2.834 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 41 CYS HB2 1 42 TRP H 3.000 . 4.000 2.961 2.500 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 41 CYS O 1 45 ILE H 2.000 . 2.500 2.409 2.159 2.534 0.034 21 0 "[ . 1 . 2 . 3]" 1
257 1 41 CYS O 1 45 ILE N 3.000 2.300 3.500 3.273 2.977 3.516 0.016 21 0 "[ . 1 . 2 . 3]" 1
258 1 42 TRP H 1 43 HIS H 3.000 . 4.000 2.474 2.283 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 42 TRP HA 1 43 HIS H 3.000 . 4.000 3.484 3.360 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 42 TRP HA 1 45 ILE H 3.000 . 4.000 3.239 2.970 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 42 TRP HA 1 45 ILE HB 4.000 . 5.000 2.694 2.109 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 42 TRP HA 1 45 ILE MD 4.000 . 5.000 2.729 2.072 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 42 TRP HA 1 46 ARG H 3.000 . 4.000 3.801 3.263 4.024 0.024 19 0 "[ . 1 . 2 . 3]" 1
264 1 42 TRP HB2 1 43 HIS H 4.000 . 5.000 4.112 3.708 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 42 TRP HB3 1 43 HIS H 3.000 . 4.000 2.935 2.209 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 42 TRP HD1 1 60 TYR QE 4.000 . 5.000 2.653 1.929 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 42 TRP HE1 1 46 ARG QD 4.000 . 5.000 2.787 1.916 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 42 TRP HE1 1 60 TYR HA 5.000 . 6.000 5.887 5.526 6.036 0.036 24 0 "[ . 1 . 2 . 3]" 1
269 1 42 TRP HE1 1 60 TYR HB2 4.000 . 5.000 3.938 3.371 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 42 TRP HE1 1 60 TYR HB3 3.000 . 4.000 3.638 3.073 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 42 TRP HE3 1 43 HIS H 3.000 . 4.000 3.678 2.547 4.017 0.017 29 0 "[ . 1 . 2 . 3]" 1
272 1 42 TRP HE3 1 43 HIS HA 3.000 . 4.000 3.627 3.113 4.021 0.021 8 0 "[ . 1 . 2 . 3]" 1
273 1 42 TRP HE3 1 43 HIS QB 4.000 . 5.000 4.193 2.352 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 42 TRP HZ2 1 46 ARG QD 4.000 . 5.000 2.659 1.803 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 43 HIS H 1 44 ARG H 3.000 . 4.000 2.585 2.356 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 43 HIS HA 1 44 ARG H 4.000 . 5.000 3.392 3.266 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 43 HIS HA 1 46 ARG H 4.000 . 5.000 4.155 3.522 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 43 HIS HA 1 46 ARG QB 3.460 . 4.460 3.758 3.027 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 43 HIS QB 1 44 ARG H 3.000 . 4.000 3.214 2.356 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 44 ARG H 1 45 ILE H 3.000 . 4.000 2.154 1.837 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 44 ARG HA 1 45 ILE H 4.000 . 5.000 3.520 3.388 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 44 ARG HA 1 47 THR H 3.000 . 4.000 3.653 2.902 4.020 0.020 20 0 "[ . 1 . 2 . 3]" 1
283 1 44 ARG QB 1 45 ILE H 3.000 . 4.000 2.768 2.241 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 44 ARG O 1 48 ASP H 2.000 . 2.500 2.251 2.089 2.514 0.014 5 0 "[ . 1 . 2 . 3]" 1
285 1 44 ARG O 1 48 ASP N 3.000 2.300 3.500 2.943 2.445 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 45 ILE H 1 46 ARG H 3.000 . 4.000 2.614 2.352 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 45 ILE HA 1 45 ILE MG 2.000 . 3.000 2.455 2.293 3.142 0.142 24 0 "[ . 1 . 2 . 3]" 1
288 1 45 ILE HA 1 46 ARG H 4.000 . 5.000 3.551 3.484 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 45 ILE HA 1 49 GLU H 3.000 . 4.000 3.064 1.866 4.015 0.015 20 0 "[ . 1 . 2 . 3]" 1
290 1 45 ILE HA 1 49 GLU QB 4.000 . 5.000 2.180 1.727 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 45 ILE HA 1 49 GLU QG 4.000 . 5.000 3.643 1.886 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 45 ILE HA 1 50 ASN H 4.000 . 5.000 4.799 3.712 5.022 0.022 24 0 "[ . 1 . 2 . 3]" 1
293 1 45 ILE HB 1 46 ARG H 3.000 . 4.000 2.690 2.246 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 45 ILE HB 1 60 TYR QE 4.000 . 5.000 2.952 2.371 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 45 ILE MD 1 46 ARG H 4.000 . 5.000 4.415 3.945 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 45 ILE MD 1 54 PRO QD 3.460 . 4.460 3.413 2.788 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 45 ILE MD 1 54 PRO QG 4.000 . 5.000 2.986 1.899 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 45 ILE MD 1 60 TYR QE 3.000 . 4.000 3.285 1.856 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 45 ILE MG 1 46 ARG H 3.000 . 4.000 3.286 1.891 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 45 ILE MG 1 46 ARG HA 3.000 . 4.000 3.429 3.028 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 45 ILE MG 1 50 ASN H 4.000 . 5.000 3.564 2.529 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 45 ILE MG 1 51 GLY H 2.000 . 3.000 2.619 2.060 3.106 0.106 19 0 "[ . 1 . 2 . 3]" 1
303 1 45 ILE MG 1 51 GLY QA 2.570 . 3.570 2.031 1.656 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 45 ILE MG 1 52 LEU H 3.000 . 4.000 3.175 2.388 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 45 ILE MG 1 60 TYR QD 3.000 . 4.000 3.896 3.334 4.019 0.019 16 0 "[ . 1 . 2 . 3]" 1
306 1 45 ILE MG 1 60 TYR QE 2.000 . 3.000 2.023 1.820 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 46 ARG HA 1 47 THR H 4.000 . 5.000 3.252 2.970 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 46 ARG HA 1 51 GLY H 3.000 . 4.000 3.660 2.985 4.013 0.013 8 0 "[ . 1 . 2 . 3]" 1
309 1 46 ARG HA 1 51 GLY QA 3.000 . 4.000 2.701 1.806 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 46 ARG QB 1 47 THR H 3.000 . 4.000 3.388 2.455 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 46 ARG QD 1 60 TYR HB3 4.000 . 5.000 4.695 3.793 5.035 0.035 19 0 "[ . 1 . 2 . 3]" 1
312 1 47 THR H 1 48 ASP H 3.000 . 4.000 2.325 1.851 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 47 THR H 1 49 GLU H 4.000 . 5.000 3.241 2.541 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 47 THR HA 1 48 ASP H 4.000 . 5.000 3.480 2.890 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 47 THR HB 1 48 ASP H 4.000 . 5.000 2.908 1.868 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 47 THR MG 1 48 ASP H 4.000 . 5.000 3.282 1.768 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 48 ASP H 1 49 GLU H 2.000 . 3.000 2.387 1.870 3.008 0.008 15 0 "[ . 1 . 2 . 3]" 1
318 1 48 ASP HA 1 49 GLU H 3.000 . 4.000 3.426 2.924 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 48 ASP QB 1 49 GLU H 4.000 . 5.000 2.906 1.867 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 49 GLU H 1 50 ASN H 4.000 . 5.000 4.299 4.136 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 49 GLU HA 1 50 ASN H 2.000 . 3.000 2.901 2.647 3.020 0.020 26 0 "[ . 1 . 2 . 3]" 1
322 1 49 GLU QB 1 50 ASN H 3.000 . 4.000 2.015 1.827 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 49 GLU QG 1 50 ASN H 2.000 . 3.000 2.203 1.862 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 50 ASN H 1 51 GLY H 4.000 . 5.000 2.705 1.908 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 50 ASN HA 1 51 GLY H 4.000 . 5.000 3.143 2.181 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 50 ASN QD 1 52 LEU MD1 2.560 . 3.560 2.996 1.943 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 50 ASN QD 1 52 LEU HG 5.000 . 6.000 3.358 2.028 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 51 GLY H 1 52 LEU H 3.000 . 4.000 2.530 1.905 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 51 GLY QA 1 52 LEU H 2.460 . 3.460 2.818 2.400 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 51 GLY O 1 60 TYR H 2.000 . 2.500 2.477 2.317 2.562 0.062 5 0 "[ . 1 . 2 . 3]" 1
331 1 51 GLY O 1 60 TYR N 3.000 2.300 3.500 3.433 3.262 3.513 0.013 5 0 "[ . 1 . 2 . 3]" 1
332 1 52 LEU H 1 52 LEU HG 2.000 . 3.000 2.888 2.173 3.042 0.042 21 0 "[ . 1 . 2 . 3]" 1
333 1 52 LEU HA 1 52 LEU MD2 2.000 . 3.000 1.843 1.794 2.022 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 52 LEU HA 1 53 CYS H 2.000 . 3.000 2.494 2.302 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 52 LEU HA 1 59 PRO HA 4.000 . 5.000 2.553 2.082 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 52 LEU HA 1 60 TYR H 2.000 . 3.000 3.025 2.938 3.098 0.098 20 0 "[ . 1 . 2 . 3]" 1
337 1 52 LEU QB 1 53 CYS H 2.560 . 3.560 2.284 2.093 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 52 LEU QB 1 57 ARG HA 3.000 . 4.000 3.312 2.996 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 52 LEU MD1 1 57 ARG HA 3.000 . 4.000 3.953 3.582 4.047 0.047 28 0 "[ . 1 . 2 . 3]" 1
340 1 52 LEU MD1 1 57 ARG QB 3.460 . 4.460 4.354 3.475 4.513 0.053 20 0 "[ . 1 . 2 . 3]" 1
341 1 52 LEU MD1 1 57 ARG QD 4.000 . 5.000 4.102 2.289 5.061 0.061 6 0 "[ . 1 . 2 . 3]" 1
342 1 52 LEU MD2 1 53 CYS H 3.000 . 4.000 2.858 2.331 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 52 LEU MD2 1 59 PRO HA 2.000 . 3.000 1.891 1.736 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 52 LEU MD2 1 59 PRO QB 3.000 . 4.000 2.462 1.900 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 52 LEU MD2 1 59 PRO QD 3.000 . 4.000 3.192 2.763 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 52 LEU MD2 1 59 PRO QG 3.460 . 4.460 3.635 3.212 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 52 LEU MD2 1 60 TYR H 3.000 . 4.000 3.287 2.962 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 53 CYS H 1 58 LYS H 4.000 . 5.000 2.218 1.793 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 53 CYS H 1 59 PRO HA 3.000 . 4.000 3.978 3.214 4.133 0.133 2 0 "[ . 1 . 2 . 3]" 1
350 1 53 CYS HA 1 54 PRO QD 4.000 . 5.000 1.856 1.834 1.880 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 53 CYS HA 1 60 TYR QE 3.000 . 4.000 1.916 1.823 2.111 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 53 CYS HB2 1 58 LYS H 3.000 . 4.000 2.974 2.219 4.020 0.020 13 0 "[ . 1 . 2 . 3]" 1
353 1 53 CYS HB3 1 56 CYS H 3.000 . 4.000 2.817 2.344 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 53 CYS HB3 1 58 LYS H 3.000 . 4.000 2.027 1.796 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 54 PRO HA 1 55 ALA H 4.000 . 5.000 3.293 3.155 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 55 ALA H 1 56 CYS H 3.000 . 4.000 2.104 1.833 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 55 ALA H 1 57 ARG H 4.000 . 5.000 3.037 2.676 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 55 ALA HA 1 56 CYS H 4.000 . 5.000 3.548 3.485 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 55 ALA MB 1 56 CYS H 2.000 . 3.000 2.718 2.319 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 55 ALA MB 1 56 CYS HB3 4.000 . 5.000 3.294 3.097 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 56 CYS H 1 57 ARG H 3.000 . 4.000 1.964 1.820 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 56 CYS H 1 58 LYS H 4.000 . 5.000 4.231 3.629 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 57 ARG H 1 58 LYS H 3.000 . 4.000 3.166 2.383 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 57 ARG HA 1 58 LYS H 3.000 . 4.000 2.559 2.198 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 58 LYS HA 1 59 PRO QD 4.000 . 5.000 1.902 1.850 1.964 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 59 PRO HA 1 60 TYR H 4.000 . 5.000 2.212 2.193 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 59 PRO QB 1 60 TYR H 3.000 . 4.000 3.465 2.987 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 60 TYR HA 1 61 PRO QD 4.000 . 5.000 1.892 1.817 2.041 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 61 PRO HA 1 62 GLU H 4.000 . 5.000 2.685 2.221 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 61 PRO QG 1 62 GLU H 4.000 . 5.000 4.102 1.976 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 62 GLU H 1 63 ASP H 4.000 . 5.000 3.602 1.852 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 62 GLU HA 1 63 ASP H 4.000 . 5.000 2.898 2.182 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 62 GLU QB 1 63 ASP H 3.000 . 4.000 2.758 1.835 4.022 0.022 21 0 "[ . 1 . 2 . 3]" 1
374 1 62 GLU QG 1 63 ASP H 3.460 . 4.460 3.698 1.993 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 63 ASP HA 1 64 PRO QD 4.000 . 5.000 2.010 1.833 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 64 PRO QB 1 65 ALA H 4.000 . 5.000 3.092 2.155 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 64 PRO HD3 1 65 ALA H 3.000 . 4.000 3.836 3.669 4.041 0.041 6 0 "[ . 1 . 2 . 3]" 1
378 1 65 ALA H 1 66 VAL H 3.000 . 4.000 3.157 1.865 4.083 0.083 14 0 "[ . 1 . 2 . 3]" 1
379 1 65 ALA HA 1 66 VAL H 4.000 . 5.000 2.826 2.194 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 65 ALA MB 1 66 VAL H 3.000 . 4.000 3.188 1.840 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 65 ALA MB 1 66 VAL HA 4.000 . 5.000 4.270 3.709 5.045 0.045 9 0 "[ . 1 . 2 . 3]" 1
382 1 65 ALA MB 1 66 VAL MG1 4.000 . 5.000 4.196 2.142 5.017 0.017 9 0 "[ . 1 . 2 . 3]" 1
383 1 66 VAL H 1 67 TYR H 3.000 . 4.000 2.986 1.843 4.120 0.120 27 0 "[ . 1 . 2 . 3]" 1
384 1 66 VAL HA 1 67 TYR H 4.000 . 5.000 3.194 2.177 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 66 VAL HB 1 67 TYR H 3.000 . 4.000 3.135 1.838 4.068 0.068 16 0 "[ . 1 . 2 . 3]" 1
386 1 66 VAL MG1 1 67 TYR H 4.000 . 5.000 3.442 1.885 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 66 VAL MG2 1 67 TYR H 3.000 . 4.000 3.108 1.870 4.179 0.179 6 0 "[ . 1 . 2 . 3]" 1
388 1 67 TYR H 1 68 LYS H 4.000 . 5.000 3.913 2.682 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 67 TYR HA 1 68 LYS H 2.000 . 3.000 2.433 2.189 3.006 0.006 6 0 "[ . 1 . 2 . 3]" 1
390 1 67 TYR QB 1 68 LYS H 4.000 . 5.000 3.407 1.832 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 68 LYS HA 1 69 PRO QD 4.000 . 5.000 2.247 1.839 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 69 PRO QB 1 70 LEU H 4.000 . 5.000 3.081 1.890 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 70 LEU HA 1 71 SER H 2.000 . 3.000 2.530 2.191 3.029 0.029 26 0 "[ . 1 . 2 . 3]" 1
394 1 71 SER HA 1 72 GLN H 3.000 . 4.000 2.654 2.189 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 72 GLN HA 1 73 GLU H 3.000 . 4.000 2.781 2.189 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 73 GLU HA 1 74 GLU H 3.000 . 4.000 2.746 2.207 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 74 GLU HA 1 75 LEU H 3.000 . 4.000 2.752 2.196 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 75 LEU HA 1 76 GLN H 3.000 . 4.000 2.785 2.198 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 77 ARG H 1 78 ILE H 4.000 . 5.000 3.536 1.894 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 77 ARG HA 1 78 ILE H 3.000 . 4.000 2.814 2.193 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
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