NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408075 |
1yop   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yop
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 928
_Distance_constraint_stats_list.Viol_count 391
_Distance_constraint_stats_list.Viol_total 141.748
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0181
_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 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.177 0.054 14 0 "[ . 1 . 2]"
1 5 TYR 0.877 0.082 19 0 "[ . 1 . 2]"
1 6 ASP 0.873 0.058 15 0 "[ . 1 . 2]"
1 7 GLU 0.256 0.047 13 0 "[ . 1 . 2]"
1 8 ILE 0.267 0.036 8 0 "[ . 1 . 2]"
1 9 GLU 0.223 0.036 8 0 "[ . 1 . 2]"
1 10 ILE 0.219 0.044 10 0 "[ . 1 . 2]"
1 11 GLU 0.048 0.031 5 0 "[ . 1 . 2]"
1 12 ASP 0.193 0.035 14 0 "[ . 1 . 2]"
1 13 MET 0.282 0.035 14 0 "[ . 1 . 2]"
1 14 THR 0.083 0.034 18 0 "[ . 1 . 2]"
1 15 PHE 0.266 0.048 15 0 "[ . 1 . 2]"
1 16 GLU 0.190 0.053 16 0 "[ . 1 . 2]"
1 17 PRO 0.080 0.048 20 0 "[ . 1 . 2]"
1 18 GLU 0.040 0.029 4 0 "[ . 1 . 2]"
1 19 ASN 0.213 0.040 8 0 "[ . 1 . 2]"
1 20 GLN 0.113 0.027 10 0 "[ . 1 . 2]"
1 21 MET 0.533 0.053 16 0 "[ . 1 . 2]"
1 22 PHE 0.083 0.034 18 0 "[ . 1 . 2]"
1 23 THR 0.328 0.030 19 0 "[ . 1 . 2]"
1 24 TYR 0.042 0.013 20 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.033 0.010 2 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.033 0.010 2 0 "[ . 1 . 2]"
1 31 ARG 0.124 0.030 19 0 "[ . 1 . 2]"
1 32 PHE 0.015 0.010 4 0 "[ . 1 . 2]"
1 33 GLN 0.160 0.025 12 0 "[ . 1 . 2]"
1 34 ILE 0.152 0.030 13 0 "[ . 1 . 2]"
1 35 TYR 0.016 0.010 7 0 "[ . 1 . 2]"
1 36 LEU 0.259 0.042 11 0 "[ . 1 . 2]"
1 37 ASP 0.098 0.038 4 0 "[ . 1 . 2]"
1 38 ASP 0.237 0.045 12 0 "[ . 1 . 2]"
1 39 MET 0.243 0.045 12 0 "[ . 1 . 2]"
1 40 PHE 0.220 0.042 11 0 "[ . 1 . 2]"
1 41 GLU 0.126 0.067 13 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.335 0.048 16 0 "[ . 1 . 2]"
1 44 LYS 0.223 0.030 13 0 "[ . 1 . 2]"
1 45 VAL 0.407 0.048 16 0 "[ . 1 . 2]"
1 46 ALA 0.185 0.028 13 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.047 0.019 7 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 MET 0.029 0.013 20 0 "[ . 1 . 2]"
1 55 ILE 0.197 0.043 16 0 "[ . 1 . 2]"
1 56 ASP 0.288 0.048 8 0 "[ . 1 . 2]"
1 57 VAL 0.468 0.047 13 0 "[ . 1 . 2]"
1 58 VAL 0.350 0.048 8 0 "[ . 1 . 2]"
1 59 PHE 0.324 0.044 10 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LYS 0.011 0.011 2 0 "[ . 1 . 2]"
1 62 GLU 0.032 0.031 2 0 "[ . 1 . 2]"
1 63 ASP 0.011 0.011 2 0 "[ . 1 . 2]"
1 64 LEU 0.313 0.025 14 0 "[ . 1 . 2]"
1 65 ALA 0.063 0.031 2 0 "[ . 1 . 2]"
1 66 GLU 0.002 0.002 4 0 "[ . 1 . 2]"
1 67 TYR 0.028 0.016 10 0 "[ . 1 . 2]"
1 68 TYR 0.680 0.061 17 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.367 0.046 15 0 "[ . 1 . 2]"
1 71 ALA 0.597 0.061 17 0 "[ . 1 . 2]"
1 72 GLY 0.242 0.041 4 0 "[ . 1 . 2]"
1 73 ILE 0.740 0.052 16 0 "[ . 1 . 2]"
1 74 HIS 0.327 0.052 16 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.068 0.036 13 0 "[ . 1 . 2]"
1 78 PRO 0.068 0.036 13 0 "[ . 1 . 2]"
1 79 ILE 0.234 0.055 7 0 "[ . 1 . 2]"
1 80 ALA 0.234 0.055 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL HA 1 3 SER H 1.800 . 4.000 2.599 2.134 3.551 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL HB 1 3 SER H 1.800 . 5.500 3.622 2.213 4.421 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL QG 1 3 SER H 1.800 . 5.500 2.835 1.994 3.723 . 0 0 "[ . 1 . 2]" 1
4 1 3 SER HA 1 4 THR H 1.800 . 3.000 2.404 2.130 2.926 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER QB 1 4 THR H 1.800 . 4.500 3.148 2.037 4.045 . 0 0 "[ . 1 . 2]" 1
6 1 4 THR H 1 4 THR MG 1.800 . 4.000 3.028 2.179 4.014 0.014 13 0 "[ . 1 . 2]" 1
7 1 4 THR H 1 5 TYR H 1.800 . 6.000 4.496 4.328 4.641 . 0 0 "[ . 1 . 2]" 1
8 1 4 THR HA 1 5 TYR H 1.800 . 3.500 2.438 2.229 2.720 . 0 0 "[ . 1 . 2]" 1
9 1 4 THR HA 1 54 MET HB3 1.800 . 5.000 3.219 2.065 4.186 . 0 0 "[ . 1 . 2]" 1
10 1 4 THR HA 1 54 MET HB2 1.800 . 5.000 2.987 2.270 4.172 . 0 0 "[ . 1 . 2]" 1
11 1 4 THR HA 1 54 MET QB 1.800 . 4.500 2.713 1.916 3.723 . 0 0 "[ . 1 . 2]" 1
12 1 4 THR HA 1 56 ASP H 1.800 . 6.000 5.457 4.995 5.981 . 0 0 "[ . 1 . 2]" 1
13 1 4 THR HB 1 5 TYR H 1.800 . 4.000 2.563 2.112 3.677 . 0 0 "[ . 1 . 2]" 1
14 1 4 THR HB 1 6 ASP H 1.800 . 4.500 3.474 2.629 4.526 0.026 4 0 "[ . 1 . 2]" 1
15 1 4 THR HB 1 55 ILE HA 1.800 . 4.000 3.377 2.215 4.033 0.033 1 0 "[ . 1 . 2]" 1
16 1 4 THR HB 1 56 ASP H 1.800 . 5.500 3.732 2.969 4.604 . 0 0 "[ . 1 . 2]" 1
17 1 4 THR HB 1 55 ILE MG 1.800 . 6.000 4.644 3.541 5.497 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR MG 1 5 TYR H 1.800 . 5.000 3.419 2.048 4.076 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR MG 1 6 ASP H 1.800 . 5.000 4.378 2.805 5.054 0.054 14 0 "[ . 1 . 2]" 1
20 1 4 THR MG 1 55 ILE HA 1.800 . 5.000 3.132 1.927 4.682 . 0 0 "[ . 1 . 2]" 1
21 1 4 THR MG 1 56 ASP HA 1.800 . 6.000 4.012 3.267 5.304 . 0 0 "[ . 1 . 2]" 1
22 1 5 TYR H 1 5 TYR QD 1.800 . 5.500 3.132 2.459 4.135 . 0 0 "[ . 1 . 2]" 1
23 1 5 TYR H 1 5 TYR QE 1.800 . 6.000 5.292 4.684 6.082 0.082 19 0 "[ . 1 . 2]" 1
24 1 5 TYR H 1 6 ASP H 1.800 . 4.500 2.210 1.938 2.732 . 0 0 "[ . 1 . 2]" 1
25 1 5 TYR HA 1 6 ASP H 1.800 . 3.500 3.538 3.514 3.558 0.058 15 0 "[ . 1 . 2]" 1
26 1 5 TYR HB3 1 6 ASP H 1.800 . 4.500 3.236 2.429 3.701 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR HB2 1 6 ASP H 1.800 . 4.500 2.851 2.108 4.042 . 0 0 "[ . 1 . 2]" 1
28 1 5 TYR QB 1 6 ASP H 1.800 . 4.000 2.624 2.044 2.870 . 0 0 "[ . 1 . 2]" 1
29 1 5 TYR QD 1 6 ASP H 1.800 . 6.000 4.339 2.895 4.639 . 0 0 "[ . 1 . 2]" 1
30 1 5 TYR QD 1 6 ASP QB 1.800 . 6.000 4.825 1.960 5.331 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR H 1 54 MET H 1.800 . 5.500 4.908 4.262 5.447 . 0 0 "[ . 1 . 2]" 1
32 1 5 TYR H 1 55 ILE HA 1.800 . 5.000 3.248 2.876 3.692 . 0 0 "[ . 1 . 2]" 1
33 1 5 TYR H 1 55 ILE MG 1.800 . 5.000 3.462 3.113 3.861 . 0 0 "[ . 1 . 2]" 1
34 1 5 TYR QB 1 55 ILE MG 1.800 . 4.500 3.140 2.527 3.598 . 0 0 "[ . 1 . 2]" 1
35 1 5 TYR HB3 1 55 ILE MG 1.800 . 5.000 4.208 2.890 5.014 0.014 10 0 "[ . 1 . 2]" 1
36 1 5 TYR HB2 1 55 ILE MG 1.800 . 5.000 3.315 2.566 4.373 . 0 0 "[ . 1 . 2]" 1
37 1 5 TYR QD 1 55 ILE MG 1.800 . 5.000 4.399 3.257 5.014 0.014 16 0 "[ . 1 . 2]" 1
38 1 6 ASP H 1 7 GLU H 1.800 . 5.500 4.408 4.386 4.471 . 0 0 "[ . 1 . 2]" 1
39 1 6 ASP H 1 7 GLU HA 1.800 . 5.500 4.733 4.667 4.877 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASP HA 1 7 GLU H 1.800 . 4.500 2.502 2.381 2.562 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASP HB3 1 7 GLU H 1.800 . 5.500 2.848 2.140 3.836 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASP HB2 1 7 GLU H 1.800 . 5.500 3.679 2.166 4.024 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASP H 1 8 ILE MD 1.800 . 6.000 5.090 3.973 5.810 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASP H 1 55 ILE HA 1.800 . 4.000 3.216 2.700 3.765 . 0 0 "[ . 1 . 2]" 1
45 1 6 ASP H 1 56 ASP H 1.800 . 4.500 4.011 3.421 4.446 . 0 0 "[ . 1 . 2]" 1
46 1 6 ASP H 1 55 ILE MG 1.800 . 4.000 2.931 2.186 3.236 . 0 0 "[ . 1 . 2]" 1
47 1 6 ASP HA 1 55 ILE MG 1.800 . 5.500 5.055 4.463 5.445 . 0 0 "[ . 1 . 2]" 1
48 1 6 ASP QB 1 8 ILE MD 1.800 . 5.000 3.286 2.563 4.357 . 0 0 "[ . 1 . 2]" 1
49 1 6 ASP QB 1 55 ILE MG 1.800 . 5.000 3.484 2.802 4.905 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU H 1 7 GLU QG 1.800 . 5.500 2.931 1.980 4.254 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLU H 1 8 ILE H 1.800 . 5.500 4.302 4.112 4.499 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU H 1 8 ILE MD 1.800 . 5.500 4.220 3.314 5.509 0.009 20 0 "[ . 1 . 2]" 1
53 1 7 GLU HA 1 8 ILE H 1.800 . 3.000 2.178 2.130 2.294 . 0 0 "[ . 1 . 2]" 1
54 1 7 GLU QB 1 8 ILE H 1.800 . 5.000 3.270 2.681 3.932 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU QG 1 8 ILE H 1.800 . 5.500 3.870 2.764 4.561 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLU HA 1 55 ILE HA 1.800 . 5.000 4.554 4.175 4.911 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLU HA 1 56 ASP H 1.800 . 4.500 2.803 2.388 3.161 . 0 0 "[ . 1 . 2]" 1
58 1 7 GLU HA 1 57 VAL HA 1.800 . 5.000 4.102 3.861 4.797 . 0 0 "[ . 1 . 2]" 1
59 1 7 GLU HA 1 55 ILE MD 1.800 . 6.000 4.601 3.711 5.420 . 0 0 "[ . 1 . 2]" 1
60 1 7 GLU HA 1 55 ILE QG 1.800 . 6.000 5.767 5.152 6.003 0.003 1 0 "[ . 1 . 2]" 1
61 1 7 GLU HA 1 55 ILE MG 1.800 . 6.000 4.730 4.220 5.033 . 0 0 "[ . 1 . 2]" 1
62 1 7 GLU HA 1 56 ASP QB 1.800 . 5.000 2.908 2.038 3.587 . 0 0 "[ . 1 . 2]" 1
63 1 7 GLU HA 1 57 VAL MG1 1.800 . 6.000 5.920 4.830 6.047 0.047 13 0 "[ . 1 . 2]" 1
64 1 7 GLU QG 1 56 ASP QB 1.800 . 5.000 3.035 1.888 4.650 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLU QG 1 58 VAL MG1 1.800 . 6.000 4.738 3.231 5.987 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE H 1 8 ILE HB 1.800 . 4.000 2.738 2.627 2.898 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE H 1 8 ILE MD 1.800 . 5.000 2.964 2.086 3.974 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE H 1 8 ILE HG13 1.800 . 4.500 3.293 2.651 4.180 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE H 1 8 ILE HG12 1.800 . 4.500 3.642 2.186 4.463 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE H 1 8 ILE QG 1.800 . 4.000 2.797 2.170 3.354 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE H 1 9 GLU H 1.800 . 5.500 4.508 4.434 4.599 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE HA 1 8 ILE MD 1.800 . 4.000 3.188 2.021 3.935 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE HA 1 8 ILE QG 1.800 . 4.500 2.647 2.421 3.054 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE HA 1 8 ILE MG 1.800 . 4.500 2.260 2.211 2.337 . 0 0 "[ . 1 . 2]" 1
75 1 8 ILE HA 1 9 GLU H 1.800 . 3.000 2.305 2.204 2.351 . 0 0 "[ . 1 . 2]" 1
76 1 8 ILE HB 1 9 GLU H 1.800 . 4.500 3.685 3.616 3.895 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE MD 1 9 GLU H 1.800 . 5.000 4.549 3.562 5.026 0.026 15 0 "[ . 1 . 2]" 1
78 1 8 ILE HG13 1 9 GLU H 1.800 . 5.000 4.724 4.427 5.036 0.036 8 0 "[ . 1 . 2]" 1
79 1 8 ILE HG12 1 9 GLU H 1.800 . 5.000 4.794 4.384 5.016 0.016 9 0 "[ . 1 . 2]" 1
80 1 8 ILE MG 1 9 GLU H 1.800 . 4.000 2.064 1.998 2.133 . 0 0 "[ . 1 . 2]" 1
81 1 8 ILE MG 1 12 ASP H 1.800 . 5.000 4.011 3.487 4.521 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE MG 1 12 ASP HB3 1.800 . 5.000 3.186 2.045 4.771 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE MG 1 12 ASP HB2 1.800 . 5.000 3.373 2.256 4.695 . 0 0 "[ . 1 . 2]" 1
84 1 8 ILE MG 1 12 ASP QB 1.800 . 4.500 2.792 2.010 4.008 . 0 0 "[ . 1 . 2]" 1
85 1 8 ILE MG 1 13 MET H 1.800 . 6.000 4.890 3.660 5.525 . 0 0 "[ . 1 . 2]" 1
86 1 8 ILE H 1 56 ASP H 1.800 . 5.000 4.105 3.381 4.562 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE H 1 57 VAL HA 1.800 . 4.500 2.591 2.289 3.290 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE H 1 58 VAL H 1.800 . 5.000 3.859 3.281 4.540 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE HB 1 57 VAL HA 1.800 . 5.500 3.294 2.455 4.018 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE HB 1 57 VAL QG 1.800 . 5.500 2.685 2.009 3.344 . 0 0 "[ . 1 . 2]" 1
91 1 8 ILE MD 1 57 VAL HA 1.800 . 6.000 4.375 3.375 5.382 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE MD 1 57 VAL QG 1.800 . 6.000 3.904 2.916 5.121 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE MD 1 58 VAL H 1.800 . 6.000 5.715 5.015 6.023 0.023 5 0 "[ . 1 . 2]" 1
94 1 8 ILE MD 1 55 ILE MG 1.800 . 5.000 3.084 2.223 4.521 . 0 0 "[ . 1 . 2]" 1
95 1 8 ILE QG 1 55 ILE MG 1.800 . 6.000 4.025 3.077 4.970 . 0 0 "[ . 1 . 2]" 1
96 1 8 ILE MG 1 58 VAL H 1.800 . 6.000 4.945 4.360 5.424 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 9 GLU HB3 1.800 . 4.000 3.329 2.632 3.821 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLU H 1 9 GLU HB2 1.800 . 4.000 2.830 2.332 3.754 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLU H 1 9 GLU QB 1.800 . 3.500 2.554 2.238 2.986 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLU H 1 9 GLU QG 1.800 . 4.500 2.871 2.029 4.058 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLU H 1 10 ILE H 1.800 . 5.000 4.544 4.436 4.609 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLU HA 1 10 ILE H 1.800 . 3.000 2.269 2.163 2.365 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLU HA 1 11 GLU H 1.800 . 5.500 4.091 3.853 4.213 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLU HB3 1 10 ILE H 1.800 . 5.000 3.246 2.558 3.957 . 0 0 "[ . 1 . 2]" 1
105 1 9 GLU HB2 1 10 ILE H 1.800 . 5.000 3.644 2.597 4.380 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLU QB 1 11 GLU H 1.800 . 4.500 2.728 2.445 3.313 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLU HB3 1 11 GLU H 1.800 . 5.500 3.227 2.485 4.456 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLU HB2 1 11 GLU H 1.800 . 5.500 3.460 2.592 4.649 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU QB 1 12 ASP H 1.800 . 5.500 2.976 2.389 3.962 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLU HB3 1 12 ASP H 1.800 . 6.000 3.719 2.648 4.940 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLU HB2 1 12 ASP H 1.800 . 6.000 3.427 2.472 4.476 . 0 0 "[ . 1 . 2]" 1
112 1 9 GLU H 1 12 ASP H 1.800 . 5.500 4.034 3.810 4.386 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLU H 1 12 ASP HB3 1.800 . 6.000 4.106 3.038 4.912 . 0 0 "[ . 1 . 2]" 1
114 1 9 GLU H 1 12 ASP HB2 1.800 . 6.000 3.521 2.786 5.116 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLU H 1 12 ASP QB 1.800 . 5.500 3.198 2.577 4.432 . 0 0 "[ . 1 . 2]" 1
116 1 9 GLU HA 1 57 VAL HA 1.800 . 5.000 4.227 3.818 4.630 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLU HA 1 58 VAL H 1.800 . 4.000 2.886 2.574 3.129 . 0 0 "[ . 1 . 2]" 1
118 1 9 GLU HA 1 59 PHE HA 1.800 . 5.500 5.023 4.501 5.511 0.011 9 0 "[ . 1 . 2]" 1
119 1 9 GLU HA 1 58 VAL HB 1.800 . 4.500 4.361 4.184 4.476 . 0 0 "[ . 1 . 2]" 1
120 1 9 GLU HA 1 58 VAL MG1 1.800 . 5.000 1.896 1.803 2.103 . 0 0 "[ . 1 . 2]" 1
121 1 9 GLU HA 1 58 VAL MG2 1.800 . 5.000 4.339 4.125 4.620 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLU HA 1 58 VAL QG 1.800 . 4.500 1.894 1.801 2.099 . 0 0 "[ . 1 . 2]" 1
123 1 9 GLU QG 1 58 VAL QG 1.800 . 6.000 2.528 1.816 4.237 . 0 0 "[ . 1 . 2]" 1
124 1 10 ILE H 1 10 ILE HB 1.800 . 4.000 2.695 2.500 3.642 . 0 0 "[ . 1 . 2]" 1
125 1 10 ILE H 1 10 ILE MD 1.800 . 5.500 4.058 1.881 4.387 . 0 0 "[ . 1 . 2]" 1
126 1 10 ILE H 1 10 ILE HG13 1.800 . 5.500 4.270 3.018 4.505 . 0 0 "[ . 1 . 2]" 1
127 1 10 ILE H 1 10 ILE HG12 1.800 . 5.500 4.308 2.108 4.697 . 0 0 "[ . 1 . 2]" 1
128 1 10 ILE H 1 10 ILE QG 1.800 . 5.000 3.793 2.073 4.088 . 0 0 "[ . 1 . 2]" 1
129 1 10 ILE H 1 10 ILE MG 1.800 . 4.000 2.129 2.064 2.310 . 0 0 "[ . 1 . 2]" 1
130 1 10 ILE H 1 11 GLU H 1.800 . 5.000 2.702 2.644 2.772 . 0 0 "[ . 1 . 2]" 1
131 1 10 ILE HA 1 10 ILE MD 1.800 . 5.000 3.141 1.980 4.179 . 0 0 "[ . 1 . 2]" 1
132 1 10 ILE HA 1 10 ILE QG 1.800 . 4.500 2.625 2.262 3.478 . 0 0 "[ . 1 . 2]" 1
133 1 10 ILE HA 1 10 ILE MG 1.800 . 5.000 3.075 2.224 3.220 . 0 0 "[ . 1 . 2]" 1
134 1 10 ILE HA 1 11 GLU H 1.800 . 5.000 3.512 3.496 3.526 . 0 0 "[ . 1 . 2]" 1
135 1 10 ILE HA 1 12 ASP H 1.800 . 5.000 4.072 3.885 4.605 . 0 0 "[ . 1 . 2]" 1
136 1 10 ILE HA 1 13 MET H 1.800 . 4.500 4.129 3.820 4.342 . 0 0 "[ . 1 . 2]" 1
137 1 10 ILE HA 1 13 MET QB 1.800 . 4.500 2.567 2.218 3.352 . 0 0 "[ . 1 . 2]" 1
138 1 10 ILE MD 1 11 GLU H 1.800 . 6.000 4.626 2.048 5.039 . 0 0 "[ . 1 . 2]" 1
139 1 10 ILE HG13 1 11 GLU H 1.800 . 6.000 4.171 2.189 4.896 . 0 0 "[ . 1 . 2]" 1
140 1 10 ILE HG12 1 11 GLU H 1.800 . 6.000 4.207 2.529 5.018 . 0 0 "[ . 1 . 2]" 1
141 1 10 ILE QG 1 11 GLU H 1.800 . 5.500 3.628 2.138 3.936 . 0 0 "[ . 1 . 2]" 1
142 1 10 ILE MG 1 11 GLU H 1.800 . 4.000 2.496 2.079 4.031 0.031 5 0 "[ . 1 . 2]" 1
143 1 10 ILE H 1 58 VAL H 1.800 . 4.500 4.180 3.611 4.521 0.021 10 0 "[ . 1 . 2]" 1
144 1 10 ILE H 1 59 PHE HA 1.800 . 5.000 3.388 2.824 3.816 . 0 0 "[ . 1 . 2]" 1
145 1 10 ILE H 1 59 PHE QB 1.800 . 6.000 4.607 3.883 5.260 . 0 0 "[ . 1 . 2]" 1
146 1 10 ILE HA 1 59 PHE QB 1.800 . 5.500 4.858 3.997 5.379 . 0 0 "[ . 1 . 2]" 1
147 1 10 ILE HB 1 59 PHE HA 1.800 . 5.500 2.537 1.941 4.558 . 0 0 "[ . 1 . 2]" 1
148 1 10 ILE HB 1 59 PHE HB3 1.800 . 5.000 3.439 2.358 4.551 . 0 0 "[ . 1 . 2]" 1
149 1 10 ILE HB 1 59 PHE HB2 1.800 . 5.000 3.743 2.703 4.617 . 0 0 "[ . 1 . 2]" 1
150 1 10 ILE HB 1 59 PHE QD 1.800 . 6.000 5.091 4.338 6.044 0.044 10 0 "[ . 1 . 2]" 1
151 1 10 ILE MD 1 13 MET QB 1.800 . 5.500 3.955 2.357 5.419 . 0 0 "[ . 1 . 2]" 1
152 1 10 ILE MD 1 59 PHE HA 1.800 . 6.000 3.052 1.934 3.829 . 0 0 "[ . 1 . 2]" 1
153 1 10 ILE MD 1 59 PHE HB3 1.800 . 5.500 3.106 2.370 3.755 . 0 0 "[ . 1 . 2]" 1
154 1 10 ILE MD 1 59 PHE HB2 1.800 . 5.500 2.903 2.017 4.080 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE MD 1 59 PHE QB 1.800 . 5.000 2.622 1.984 3.469 . 0 0 "[ . 1 . 2]" 1
156 1 10 ILE MD 1 59 PHE QD 1.800 . 5.500 4.341 3.689 5.227 . 0 0 "[ . 1 . 2]" 1
157 1 10 ILE MD 1 60 ASP H 1.800 . 6.000 3.309 1.837 4.578 . 0 0 "[ . 1 . 2]" 1
158 1 10 ILE QG 1 13 MET QB 1.800 . 5.500 3.507 2.783 4.913 . 0 0 "[ . 1 . 2]" 1
159 1 10 ILE QG 1 59 PHE HA 1.800 . 5.500 3.688 1.978 4.583 . 0 0 "[ . 1 . 2]" 1
160 1 10 ILE HG13 1 59 PHE HB3 1.800 . 6.000 5.232 4.654 5.958 . 0 0 "[ . 1 . 2]" 1
161 1 10 ILE HG13 1 59 PHE HB2 1.800 . 6.000 5.158 4.156 5.865 . 0 0 "[ . 1 . 2]" 1
162 1 10 ILE HG13 1 60 ASP H 1.800 . 6.000 5.127 3.563 5.984 . 0 0 "[ . 1 . 2]" 1
163 1 10 ILE HG12 1 59 PHE HB3 1.800 . 6.000 5.036 3.822 6.018 0.018 20 0 "[ . 1 . 2]" 1
164 1 10 ILE HG12 1 59 PHE HB2 1.800 . 6.000 4.637 3.287 5.897 . 0 0 "[ . 1 . 2]" 1
165 1 10 ILE HG12 1 60 ASP H 1.800 . 6.000 4.249 3.119 5.449 . 0 0 "[ . 1 . 2]" 1
166 1 10 ILE QG 1 59 PHE QD 1.800 . 6.000 5.580 4.915 6.008 0.008 13 0 "[ . 1 . 2]" 1
167 1 10 ILE MG 1 59 PHE HA 1.800 . 5.000 2.311 1.910 2.990 . 0 0 "[ . 1 . 2]" 1
168 1 10 ILE MG 1 59 PHE HB3 1.800 . 5.500 3.781 1.936 4.997 . 0 0 "[ . 1 . 2]" 1
169 1 10 ILE MG 1 59 PHE HB2 1.800 . 5.500 3.470 2.170 4.581 . 0 0 "[ . 1 . 2]" 1
170 1 10 ILE MG 1 59 PHE QB 1.800 . 5.000 3.188 1.836 4.239 . 0 0 "[ . 1 . 2]" 1
171 1 10 ILE MG 1 59 PHE QD 1.800 . 5.500 4.622 3.463 5.358 . 0 0 "[ . 1 . 2]" 1
172 1 10 ILE MG 1 60 ASP H 1.800 . 5.500 2.655 2.011 3.558 . 0 0 "[ . 1 . 2]" 1
173 1 11 GLU H 1 11 GLU QG 1.800 . 4.000 2.756 2.037 3.981 . 0 0 "[ . 1 . 2]" 1
174 1 11 GLU H 1 12 ASP H 1.800 . 4.000 2.678 2.595 2.763 . 0 0 "[ . 1 . 2]" 1
175 1 11 GLU H 1 13 MET H 1.800 . 5.500 4.497 4.035 4.611 . 0 0 "[ . 1 . 2]" 1
176 1 11 GLU HA 1 12 ASP H 1.800 . 5.000 3.519 3.493 3.557 . 0 0 "[ . 1 . 2]" 1
177 1 11 GLU HA 1 13 MET H 1.800 . 4.500 3.725 3.640 3.842 . 0 0 "[ . 1 . 2]" 1
178 1 11 GLU QB 1 12 ASP H 1.800 . 5.000 2.994 2.596 3.580 . 0 0 "[ . 1 . 2]" 1
179 1 11 GLU QB 1 13 MET H 1.800 . 5.000 4.643 4.515 4.793 . 0 0 "[ . 1 . 2]" 1
180 1 11 GLU QG 1 12 ASP H 1.800 . 4.500 3.632 1.988 4.464 . 0 0 "[ . 1 . 2]" 1
181 1 12 ASP H 1 13 MET H 1.800 . 3.000 2.987 2.804 3.035 0.035 14 0 "[ . 1 . 2]" 1
182 1 12 ASP HA 1 13 MET H 1.800 . 4.500 2.890 2.800 3.465 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASP HB3 1 13 MET H 1.800 . 5.000 4.270 3.130 4.637 . 0 0 "[ . 1 . 2]" 1
184 1 12 ASP HB2 1 13 MET H 1.800 . 5.000 4.340 3.850 4.568 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASP QB 1 13 MET H 1.800 . 4.500 3.821 3.001 4.070 . 0 0 "[ . 1 . 2]" 1
186 1 13 MET H 1 13 MET QG 1.800 . 5.500 3.937 3.412 4.245 . 0 0 "[ . 1 . 2]" 1
187 1 13 MET H 1 14 THR H 1.800 . 5.500 4.446 4.349 4.566 . 0 0 "[ . 1 . 2]" 1
188 1 13 MET HA 1 14 THR H 1.800 . 4.000 2.287 2.197 2.563 . 0 0 "[ . 1 . 2]" 1
189 1 13 MET QB 1 14 THR H 1.800 . 4.000 3.177 2.117 3.587 . 0 0 "[ . 1 . 2]" 1
190 1 13 MET QB 1 23 THR HA 1.800 . 6.000 5.666 4.472 6.018 0.018 18 0 "[ . 1 . 2]" 1
191 1 13 MET QB 1 22 PHE HA 1.800 . 6.000 4.769 3.789 5.866 . 0 0 "[ . 1 . 2]" 1
192 1 13 MET QB 1 22 PHE QB 1.800 . 5.500 2.947 1.945 3.555 . 0 0 "[ . 1 . 2]" 1
193 1 13 MET QB 1 22 PHE QD 1.800 . 5.500 2.440 1.872 3.576 . 0 0 "[ . 1 . 2]" 1
194 1 13 MET QG 1 14 THR H 1.800 . 5.000 2.811 2.101 3.608 . 0 0 "[ . 1 . 2]" 1
195 1 13 MET QG 1 23 THR H 1.800 . 5.000 4.041 3.024 5.023 0.023 16 0 "[ . 1 . 2]" 1
196 1 13 MET QG 1 24 TYR H 1.800 . 5.000 4.403 3.994 4.948 . 0 0 "[ . 1 . 2]" 1
197 1 13 MET QG 1 23 THR HA 1.800 . 5.000 4.360 3.931 5.004 0.004 9 0 "[ . 1 . 2]" 1
198 1 13 MET QG 1 22 PHE HA 1.800 . 6.000 4.865 3.107 5.967 . 0 0 "[ . 1 . 2]" 1
199 1 14 THR H 1 14 THR HB 1.800 . 4.000 2.740 2.573 2.963 . 0 0 "[ . 1 . 2]" 1
200 1 14 THR H 1 14 THR MG 1.800 . 5.000 3.765 3.698 3.872 . 0 0 "[ . 1 . 2]" 1
201 1 14 THR H 1 15 PHE H 1.800 . 5.500 4.460 3.865 4.632 . 0 0 "[ . 1 . 2]" 1
202 1 14 THR HA 1 15 PHE H 1.800 . 3.500 2.199 2.126 2.435 . 0 0 "[ . 1 . 2]" 1
203 1 14 THR HB 1 15 PHE H 1.800 . 5.500 4.004 3.072 4.380 . 0 0 "[ . 1 . 2]" 1
204 1 14 THR MG 1 15 PHE H 1.800 . 4.500 2.726 2.138 3.706 . 0 0 "[ . 1 . 2]" 1
205 1 14 THR MG 1 16 GLU H 1.800 . 6.000 4.948 4.548 5.526 . 0 0 "[ . 1 . 2]" 1
206 1 14 THR H 1 22 PHE HA 1.800 . 5.500 5.237 3.876 5.534 0.034 18 0 "[ . 1 . 2]" 1
207 1 14 THR H 1 22 PHE QB 1.800 . 6.000 4.536 3.299 5.235 . 0 0 "[ . 1 . 2]" 1
208 1 14 THR H 1 22 PHE QD 1.800 . 5.500 4.644 3.703 5.301 . 0 0 "[ . 1 . 2]" 1
209 1 14 THR H 1 23 THR H 1.800 . 4.500 3.833 2.599 4.489 . 0 0 "[ . 1 . 2]" 1
210 1 14 THR H 1 23 THR HA 1.800 . 6.000 5.215 4.391 5.510 . 0 0 "[ . 1 . 2]" 1
211 1 14 THR HB 1 23 THR H 1.800 . 5.000 2.996 2.573 3.477 . 0 0 "[ . 1 . 2]" 1
212 1 14 THR HB 1 23 THR MG 1.800 . 5.500 4.339 3.806 5.164 . 0 0 "[ . 1 . 2]" 1
213 1 14 THR HB 1 24 TYR HA 1.800 . 5.500 4.107 3.128 5.394 . 0 0 "[ . 1 . 2]" 1
214 1 14 THR H 1 24 TYR HA 1.800 . 5.500 3.444 2.906 3.950 . 0 0 "[ . 1 . 2]" 1
215 1 15 PHE H 1 15 PHE QD 1.800 . 6.000 2.675 2.075 4.249 . 0 0 "[ . 1 . 2]" 1
216 1 15 PHE H 1 16 GLU H 1.800 . 5.500 4.507 4.440 4.582 . 0 0 "[ . 1 . 2]" 1
217 1 15 PHE HA 1 16 GLU H 1.800 . 3.000 2.198 2.134 2.350 . 0 0 "[ . 1 . 2]" 1
218 1 15 PHE HB3 1 16 GLU H 1.800 . 5.500 3.901 3.106 4.253 . 0 0 "[ . 1 . 2]" 1
219 1 15 PHE HB2 1 16 GLU H 1.800 . 5.500 3.201 2.570 4.281 . 0 0 "[ . 1 . 2]" 1
220 1 15 PHE QD 1 16 GLU H 1.800 . 5.000 4.128 2.551 4.502 . 0 0 "[ . 1 . 2]" 1
221 1 15 PHE HA 1 21 MET H 1.800 . 5.500 5.201 4.264 5.532 0.032 19 0 "[ . 1 . 2]" 1
222 1 15 PHE HA 1 22 PHE HA 1.800 . 4.000 2.564 2.063 2.991 . 0 0 "[ . 1 . 2]" 1
223 1 15 PHE HA 1 22 PHE H 1.800 . 6.000 5.145 4.269 5.572 . 0 0 "[ . 1 . 2]" 1
224 1 15 PHE HA 1 23 THR H 1.800 . 5.000 3.777 3.077 4.297 . 0 0 "[ . 1 . 2]" 1
225 1 15 PHE HA 1 21 MET QG 1.800 . 5.500 5.259 4.303 5.548 0.048 15 0 "[ . 1 . 2]" 1
226 1 16 GLU H 1 17 PRO HA 1.800 . 5.500 4.818 4.460 5.187 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLU H 1 21 MET H 1.800 . 5.000 3.409 2.805 3.823 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLU H 1 22 PHE HA 1.800 . 5.000 3.031 2.557 4.175 . 0 0 "[ . 1 . 2]" 1
229 1 16 GLU H 1 23 THR H 1.800 . 5.500 4.520 3.950 5.447 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLU H 1 21 MET QB 1.800 . 5.000 4.871 4.038 5.053 0.053 16 0 "[ . 1 . 2]" 1
231 1 16 GLU HA 1 17 PRO QD 1.800 . 5.000 1.999 1.911 2.210 . 0 0 "[ . 1 . 2]" 1
232 1 16 GLU QB 1 21 MET H 1.800 . 4.500 3.061 2.638 3.868 . 0 0 "[ . 1 . 2]" 1
233 1 17 PRO HA 1 18 GLU H 1.800 . 5.000 3.027 2.481 3.525 . 0 0 "[ . 1 . 2]" 1
234 1 17 PRO HD3 1 18 GLU H 1.800 . 5.500 4.443 3.882 5.034 . 0 0 "[ . 1 . 2]" 1
235 1 17 PRO HD2 1 18 GLU H 1.800 . 5.500 3.662 2.673 4.684 . 0 0 "[ . 1 . 2]" 1
236 1 17 PRO QD 1 18 GLU H 1.800 . 5.000 3.466 2.629 4.309 . 0 0 "[ . 1 . 2]" 1
237 1 17 PRO QD 1 19 ASN H 1.800 . 6.000 5.447 4.805 6.030 0.030 6 0 "[ . 1 . 2]" 1
238 1 17 PRO HA 1 71 ALA MB 1.800 . 4.500 3.170 2.353 3.936 . 0 0 "[ . 1 . 2]" 1
239 1 17 PRO HA 1 71 ALA HA 1.800 . 5.500 4.486 3.332 5.548 0.048 20 0 "[ . 1 . 2]" 1
240 1 17 PRO HA 1 20 GLN H 1.800 . 5.000 3.437 2.868 3.944 . 0 0 "[ . 1 . 2]" 1
241 1 17 PRO QB 1 71 ALA HA 1.800 . 4.500 3.646 2.140 4.498 . 0 0 "[ . 1 . 2]" 1
242 1 18 GLU H 1 18 GLU QG 1.800 . 4.500 2.159 1.999 2.376 . 0 0 "[ . 1 . 2]" 1
243 1 18 GLU H 1 19 ASN H 1.800 . 4.000 2.559 1.979 4.029 0.029 4 0 "[ . 1 . 2]" 1
244 1 18 GLU H 1 20 GLN H 1.800 . 5.000 3.342 2.570 4.084 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLU HA 1 18 GLU QG 1.800 . 4.500 3.344 3.325 3.363 . 0 0 "[ . 1 . 2]" 1
246 1 18 GLU HA 1 19 ASN H 1.800 . 5.000 3.428 2.286 3.573 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLU QB 1 19 ASN H 1.800 . 4.000 3.369 3.120 3.815 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLU QG 1 19 ASN H 1.800 . 4.500 2.264 1.897 4.399 . 0 0 "[ . 1 . 2]" 1
249 1 18 GLU QG 1 20 GLN H 1.800 . 4.500 3.957 3.800 4.083 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLU QG 1 21 MET H 1.800 . 5.000 4.217 3.265 4.888 . 0 0 "[ . 1 . 2]" 1
251 1 18 GLU QB 1 19 ASN QD 1.800 . 5.500 4.216 2.707 5.483 . 0 0 "[ . 1 . 2]" 1
252 1 18 GLU QG 1 19 ASN QD 1.800 . 5.500 4.002 2.086 5.383 . 0 0 "[ . 1 . 2]" 1
253 1 19 ASN H 1 20 GLN HA 1.800 . 5.000 4.294 4.104 4.925 . 0 0 "[ . 1 . 2]" 1
254 1 19 ASN H 1 20 GLN H 1.800 . 4.000 2.298 2.062 2.670 . 0 0 "[ . 1 . 2]" 1
255 1 19 ASN H 1 21 MET H 1.800 . 5.500 3.763 3.150 5.402 . 0 0 "[ . 1 . 2]" 1
256 1 19 ASN H 1 71 ALA MB 1.800 . 5.500 5.336 4.987 5.533 0.033 17 0 "[ . 1 . 2]" 1
257 1 19 ASN HA 1 19 ASN QD 1.800 . 5.000 3.580 2.579 4.378 . 0 0 "[ . 1 . 2]" 1
258 1 19 ASN HA 1 20 GLN H 1.800 . 5.000 2.988 2.886 3.130 . 0 0 "[ . 1 . 2]" 1
259 1 19 ASN QB 1 20 GLN H 1.800 . 6.000 3.781 3.661 4.034 . 0 0 "[ . 1 . 2]" 1
260 1 19 ASN HB3 1 21 MET H 1.800 . 5.500 5.118 3.427 5.540 0.040 8 0 "[ . 1 . 2]" 1
261 1 19 ASN HB2 1 21 MET H 1.800 . 5.500 5.139 4.511 5.514 0.014 18 0 "[ . 1 . 2]" 1
262 1 19 ASN QB 1 21 MET H 1.800 . 5.000 4.522 3.344 4.823 . 0 0 "[ . 1 . 2]" 1
263 1 19 ASN QB 1 21 MET QB 1.800 . 6.000 3.681 2.669 3.970 . 0 0 "[ . 1 . 2]" 1
264 1 19 ASN QB 1 21 MET QG 1.800 . 6.000 3.554 2.637 5.831 . 0 0 "[ . 1 . 2]" 1
265 1 20 GLN H 1 20 GLN HA 1.800 . 3.000 2.269 2.262 2.286 . 0 0 "[ . 1 . 2]" 1
266 1 20 GLN H 1 20 GLN QG 1.800 . 4.500 3.281 2.468 4.307 . 0 0 "[ . 1 . 2]" 1
267 1 20 GLN H 1 21 MET H 1.800 . 3.500 3.056 2.760 3.241 . 0 0 "[ . 1 . 2]" 1
268 1 20 GLN HA 1 20 GLN QE 1.800 . 5.500 4.092 2.112 4.892 . 0 0 "[ . 1 . 2]" 1
269 1 20 GLN HA 1 21 MET H 1.800 . 3.500 2.511 2.327 2.847 . 0 0 "[ . 1 . 2]" 1
270 1 20 GLN HA 1 36 LEU QB 1.800 . 5.500 4.973 4.338 5.365 . 0 0 "[ . 1 . 2]" 1
271 1 20 GLN HA 1 36 LEU QD 1.800 . 6.000 2.997 2.275 3.699 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLN HA 1 36 LEU HG 1.800 . 5.500 4.474 3.588 5.517 0.017 18 0 "[ . 1 . 2]" 1
273 1 20 GLN QB 1 20 GLN QE 1.800 . 5.500 2.864 2.023 3.567 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLN QB 1 36 LEU QD 1.800 . 5.500 2.461 1.896 3.656 . 0 0 "[ . 1 . 2]" 1
275 1 20 GLN QB 1 36 LEU QB 1.800 . 5.000 3.329 2.292 4.338 . 0 0 "[ . 1 . 2]" 1
276 1 20 GLN QG 1 36 LEU QD 1.800 . 5.500 2.489 1.814 3.423 . 0 0 "[ . 1 . 2]" 1
277 1 20 GLN QE 1 36 LEU QD 1.800 . 6.000 3.507 1.804 4.902 . 0 0 "[ . 1 . 2]" 1
278 1 20 GLN H 1 71 ALA MB 1.800 . 6.000 3.877 3.213 4.717 . 0 0 "[ . 1 . 2]" 1
279 1 20 GLN HA 1 71 ALA MB 1.800 . 5.500 3.775 3.051 4.719 . 0 0 "[ . 1 . 2]" 1
280 1 20 GLN HA 1 73 ILE HB 1.800 . 5.500 5.327 4.814 5.527 0.027 10 0 "[ . 1 . 2]" 1
281 1 20 GLN QB 1 71 ALA MB 1.800 . 6.000 3.894 2.529 4.884 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLN QG 1 71 ALA MB 1.800 . 5.000 2.948 1.841 4.436 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLN QG 1 73 ILE QG 1.800 . 5.000 4.009 1.880 4.882 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLN QG 1 73 ILE MD 1.800 . 5.000 3.409 1.880 4.861 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLN HE21 1 71 ALA MB 1.800 . 5.000 3.184 1.935 5.015 0.015 7 0 "[ . 1 . 2]" 1
286 1 20 GLN HE21 1 73 ILE MD 1.800 . 5.000 3.800 2.039 4.961 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLN QE 1 73 ILE HB 1.800 . 5.500 3.786 2.332 5.274 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLN HE22 1 71 ALA MB 1.800 . 5.000 3.480 1.820 5.004 0.004 15 0 "[ . 1 . 2]" 1
289 1 20 GLN HE22 1 73 ILE MD 1.800 . 5.000 4.013 2.054 5.013 0.013 12 0 "[ . 1 . 2]" 1
290 1 21 MET H 1 21 MET QG 1.800 . 4.500 2.645 2.032 4.069 . 0 0 "[ . 1 . 2]" 1
291 1 21 MET H 1 22 PHE H 1.800 . 5.000 4.416 4.267 4.565 . 0 0 "[ . 1 . 2]" 1
292 1 21 MET HA 1 22 PHE H 1.800 . 3.000 2.332 2.219 2.545 . 0 0 "[ . 1 . 2]" 1
293 1 21 MET HA 1 22 PHE QD 1.800 . 5.500 3.147 2.661 3.925 . 0 0 "[ . 1 . 2]" 1
294 1 21 MET HA 1 22 PHE QE 1.800 . 6.000 4.774 3.834 5.684 . 0 0 "[ . 1 . 2]" 1
295 1 21 MET QB 1 22 PHE H 1.800 . 4.500 2.721 2.178 3.584 . 0 0 "[ . 1 . 2]" 1
296 1 21 MET QG 1 22 PHE H 1.800 . 5.000 3.537 2.062 4.259 . 0 0 "[ . 1 . 2]" 1
297 1 21 MET QG 1 23 THR MG 1.800 . 5.000 3.289 2.337 4.316 . 0 0 "[ . 1 . 2]" 1
298 1 21 MET HA 1 34 ILE H 1.800 . 5.500 4.732 4.287 5.119 . 0 0 "[ . 1 . 2]" 1
299 1 21 MET HA 1 35 TYR HA 1.800 . 5.000 2.323 1.963 2.711 . 0 0 "[ . 1 . 2]" 1
300 1 21 MET HA 1 35 TYR QB 1.800 . 5.500 4.202 3.701 4.881 . 0 0 "[ . 1 . 2]" 1
301 1 21 MET HA 1 35 TYR QD 1.800 . 6.000 3.757 2.460 4.470 . 0 0 "[ . 1 . 2]" 1
302 1 21 MET HA 1 35 TYR QE 1.800 . 5.500 4.822 3.946 5.479 . 0 0 "[ . 1 . 2]" 1
303 1 21 MET HA 1 36 LEU H 1.800 . 5.500 3.240 2.568 3.911 . 0 0 "[ . 1 . 2]" 1
304 1 21 MET QB 1 36 LEU H 1.800 . 5.500 4.499 3.500 5.499 . 0 0 "[ . 1 . 2]" 1
305 1 22 PHE H 1 22 PHE QD 1.800 . 4.500 2.872 2.364 3.438 . 0 0 "[ . 1 . 2]" 1
306 1 22 PHE H 1 22 PHE QE 1.800 . 6.000 5.028 3.861 5.585 . 0 0 "[ . 1 . 2]" 1
307 1 22 PHE H 1 23 THR HA 1.800 . 6.000 4.892 4.626 5.300 . 0 0 "[ . 1 . 2]" 1
308 1 22 PHE H 1 34 ILE MG 1.800 . 4.500 3.091 2.461 3.885 . 0 0 "[ . 1 . 2]" 1
309 1 22 PHE HA 1 23 THR H 1.800 . 3.500 2.222 2.152 2.410 . 0 0 "[ . 1 . 2]" 1
310 1 22 PHE QB 1 23 THR H 1.800 . 4.500 3.064 2.453 3.731 . 0 0 "[ . 1 . 2]" 1
311 1 22 PHE QB 1 34 ILE H 1.800 . 6.000 3.902 3.159 5.369 . 0 0 "[ . 1 . 2]" 1
312 1 22 PHE QB 1 34 ILE MG 1.800 . 5.000 2.443 1.860 4.152 . 0 0 "[ . 1 . 2]" 1
313 1 22 PHE QD 1 23 THR H 1.800 . 5.500 4.158 3.235 4.742 . 0 0 "[ . 1 . 2]" 1
314 1 22 PHE QD 1 34 ILE MG 1.800 . 5.500 3.650 2.146 4.215 . 0 0 "[ . 1 . 2]" 1
315 1 22 PHE H 1 33 GLN HA 1.800 . 5.500 4.536 4.088 5.020 . 0 0 "[ . 1 . 2]" 1
316 1 22 PHE H 1 34 ILE H 1.800 . 4.000 2.965 2.577 3.402 . 0 0 "[ . 1 . 2]" 1
317 1 22 PHE H 1 35 TYR HA 1.800 . 5.500 3.392 2.889 3.991 . 0 0 "[ . 1 . 2]" 1
318 1 23 THR H 1 23 THR MG 1.800 . 4.500 2.951 2.336 3.358 . 0 0 "[ . 1 . 2]" 1
319 1 23 THR H 1 24 TYR H 1.800 . 6.000 4.465 4.277 4.583 . 0 0 "[ . 1 . 2]" 1
320 1 23 THR HA 1 24 TYR H 1.800 . 3.000 2.361 2.187 2.603 . 0 0 "[ . 1 . 2]" 1
321 1 23 THR MG 1 24 TYR H 1.800 . 5.000 3.732 3.475 3.997 . 0 0 "[ . 1 . 2]" 1
322 1 23 THR H 1 34 ILE MG 1.800 . 6.000 4.815 4.206 5.355 . 0 0 "[ . 1 . 2]" 1
323 1 23 THR H 1 33 GLN QB 1.800 . 6.000 5.886 5.171 6.025 0.025 12 0 "[ . 1 . 2]" 1
324 1 23 THR HA 1 23 THR MG 1.800 . 3.500 2.360 2.198 2.576 . 0 0 "[ . 1 . 2]" 1
325 1 23 THR HA 1 32 PHE H 1.800 . 5.500 4.625 4.069 5.130 . 0 0 "[ . 1 . 2]" 1
326 1 23 THR HA 1 32 PHE QB 1.800 . 6.000 3.769 3.219 4.423 . 0 0 "[ . 1 . 2]" 1
327 1 23 THR HA 1 33 GLN HA 1.800 . 4.500 2.566 2.150 2.924 . 0 0 "[ . 1 . 2]" 1
328 1 23 THR HA 1 33 GLN QB 1.800 . 5.000 4.075 3.397 4.491 . 0 0 "[ . 1 . 2]" 1
329 1 23 THR HA 1 34 ILE H 1.800 . 5.000 3.733 3.308 4.097 . 0 0 "[ . 1 . 2]" 1
330 1 23 THR HA 1 31 ARG QB 1.800 . 5.500 5.122 4.163 5.530 0.030 19 0 "[ . 1 . 2]" 1
331 1 23 THR HA 1 31 ARG QD 1.800 . 6.000 5.029 4.125 5.957 . 0 0 "[ . 1 . 2]" 1
332 1 23 THR HB 1 24 TYR H 1.800 . 4.500 2.586 2.083 3.116 . 0 0 "[ . 1 . 2]" 1
333 1 23 THR HB 1 34 ILE H 1.800 . 6.000 5.726 5.308 5.993 . 0 0 "[ . 1 . 2]" 1
334 1 23 THR HB 1 31 ARG QB 1.800 . 5.000 3.490 2.180 4.395 . 0 0 "[ . 1 . 2]" 1
335 1 23 THR HB 1 31 ARG QD 1.800 . 5.500 2.980 2.013 4.243 . 0 0 "[ . 1 . 2]" 1
336 1 23 THR MG 1 31 ARG HA 1.800 . 6.000 5.656 5.129 5.962 . 0 0 "[ . 1 . 2]" 1
337 1 23 THR MG 1 31 ARG QB 1.800 . 5.000 3.872 2.884 4.627 . 0 0 "[ . 1 . 2]" 1
338 1 23 THR MG 1 31 ARG QD 1.800 . 5.500 3.729 2.168 5.191 . 0 0 "[ . 1 . 2]" 1
339 1 23 THR MG 1 33 GLN HA 1.800 . 4.500 2.438 1.941 3.128 . 0 0 "[ . 1 . 2]" 1
340 1 23 THR MG 1 33 GLN QB 1.800 . 4.500 2.608 2.046 3.266 . 0 0 "[ . 1 . 2]" 1
341 1 23 THR MG 1 33 GLN QG 1.800 . 4.500 3.739 1.972 4.511 0.011 19 0 "[ . 1 . 2]" 1
342 1 23 THR MG 1 34 ILE H 1.800 . 5.000 3.562 2.886 4.078 . 0 0 "[ . 1 . 2]" 1
343 1 24 TYR H 1 24 TYR QD 1.800 . 5.500 4.317 2.478 4.568 . 0 0 "[ . 1 . 2]" 1
344 1 24 TYR H 1 26 CYS H 1.800 . 6.000 5.139 4.884 5.852 . 0 0 "[ . 1 . 2]" 1
345 1 24 TYR H 1 31 ARG HA 1.800 . 5.500 4.063 3.718 4.511 . 0 0 "[ . 1 . 2]" 1
346 1 24 TYR H 1 31 ARG QB 1.800 . 5.000 4.120 2.731 4.889 . 0 0 "[ . 1 . 2]" 1
347 1 24 TYR H 1 32 PHE H 1.800 . 4.500 2.785 2.180 3.366 . 0 0 "[ . 1 . 2]" 1
348 1 24 TYR H 1 32 PHE QB 1.800 . 5.000 2.797 2.047 3.369 . 0 0 "[ . 1 . 2]" 1
349 1 24 TYR H 1 33 GLN HA 1.800 . 5.500 4.256 3.728 4.648 . 0 0 "[ . 1 . 2]" 1
350 1 24 TYR HA 1 25 PRO QD 1.800 . 4.000 2.010 1.908 2.043 . 0 0 "[ . 1 . 2]" 1
351 1 24 TYR HA 1 25 PRO QG 1.800 . 5.000 3.910 3.821 3.945 . 0 0 "[ . 1 . 2]" 1
352 1 24 TYR QB 1 31 ARG QG 1.800 . 5.000 4.501 4.021 5.013 0.013 20 0 "[ . 1 . 2]" 1
353 1 24 TYR QB 1 32 PHE QD 1.800 . 5.500 3.479 2.324 4.261 . 0 0 "[ . 1 . 2]" 1
354 1 24 TYR QB 1 32 PHE QE 1.800 . 6.000 5.340 4.314 6.005 0.005 7 0 "[ . 1 . 2]" 1
355 1 24 TYR QD 1 32 PHE QB 1.800 . 5.500 3.560 2.938 4.114 . 0 0 "[ . 1 . 2]" 1
356 1 24 TYR QE 1 32 PHE QB 1.800 . 6.000 5.423 2.680 6.010 0.010 4 0 "[ . 1 . 2]" 1
357 1 25 PRO HA 1 26 CYS H 1.800 . 3.000 2.221 2.141 2.285 . 0 0 "[ . 1 . 2]" 1
358 1 25 PRO HB3 1 26 CYS H 1.800 . 4.500 4.226 3.644 4.449 . 0 0 "[ . 1 . 2]" 1
359 1 25 PRO HB2 1 26 CYS H 1.800 . 4.500 4.092 3.885 4.323 . 0 0 "[ . 1 . 2]" 1
360 1 25 PRO QB 1 26 CYS H 1.800 . 4.000 3.689 3.386 3.806 . 0 0 "[ . 1 . 2]" 1
361 1 25 PRO HA 1 31 ARG HA 1.800 . 5.000 2.362 1.958 2.999 . 0 0 "[ . 1 . 2]" 1
362 1 25 PRO HA 1 32 PHE H 1.800 . 5.500 3.677 2.941 4.174 . 0 0 "[ . 1 . 2]" 1
363 1 26 CYS H 1 26 CYS HB3 1.800 . 4.000 2.556 2.473 2.628 . 0 0 "[ . 1 . 2]" 1
364 1 26 CYS H 1 26 CYS HB2 1.800 . 4.000 2.540 2.448 2.825 . 0 0 "[ . 1 . 2]" 1
365 1 26 CYS H 1 26 CYS QB 1.800 . 3.500 2.265 2.251 2.324 . 0 0 "[ . 1 . 2]" 1
366 1 26 CYS H 1 32 PHE H 1.800 . 4.500 3.049 2.301 3.782 . 0 0 "[ . 1 . 2]" 1
367 1 26 CYS HB3 1 28 CYS H 1.800 . 5.500 3.304 3.201 3.397 . 0 0 "[ . 1 . 2]" 1
368 1 26 CYS HB2 1 28 CYS H 1.800 . 5.500 4.390 4.320 4.442 . 0 0 "[ . 1 . 2]" 1
369 1 26 CYS QB 1 28 CYS H 1.800 . 5.000 3.213 3.120 3.295 . 0 0 "[ . 1 . 2]" 1
370 1 26 CYS HB3 1 29 GLY H 1.800 . 5.500 3.072 2.617 3.665 . 0 0 "[ . 1 . 2]" 1
371 1 26 CYS HB2 1 29 GLY H 1.800 . 5.500 4.750 4.318 5.298 . 0 0 "[ . 1 . 2]" 1
372 1 26 CYS QB 1 29 GLY H 1.800 . 5.000 3.035 2.596 3.602 . 0 0 "[ . 1 . 2]" 1
373 1 26 CYS HB3 1 30 ASP H 1.800 . 5.000 3.202 2.672 3.419 . 0 0 "[ . 1 . 2]" 1
374 1 26 CYS HB2 1 30 ASP H 1.800 . 5.000 4.839 4.371 5.010 0.010 2 0 "[ . 1 . 2]" 1
375 1 26 CYS QB 1 31 ARG H 1.800 . 6.000 4.517 4.257 4.958 . 0 0 "[ . 1 . 2]" 1
376 1 26 CYS HB3 1 32 PHE H 1.800 . 6.000 4.521 4.009 5.376 . 0 0 "[ . 1 . 2]" 1
377 1 26 CYS HB2 1 32 PHE H 1.800 . 6.000 3.495 2.875 4.736 . 0 0 "[ . 1 . 2]" 1
378 1 26 CYS QB 1 32 PHE H 1.800 . 5.500 3.375 2.816 4.442 . 0 0 "[ . 1 . 2]" 1
379 1 26 CYS QB 1 32 PHE QD 1.800 . 6.000 3.184 2.209 5.054 . 0 0 "[ . 1 . 2]" 1
380 1 26 CYS HA 1 27 PRO QD 1.800 . 3.500 1.942 1.907 1.979 . 0 0 "[ . 1 . 2]" 1
381 1 27 PRO HA 1 28 CYS H 1.800 . 5.000 3.522 3.478 3.542 . 0 0 "[ . 1 . 2]" 1
382 1 27 PRO HA 1 29 GLY H 1.800 . 5.500 4.216 3.772 4.630 . 0 0 "[ . 1 . 2]" 1
383 1 27 PRO HB3 1 28 CYS H 1.800 . 6.000 4.205 4.085 4.377 . 0 0 "[ . 1 . 2]" 1
384 1 27 PRO HB2 1 28 CYS H 1.800 . 6.000 3.054 2.796 3.578 . 0 0 "[ . 1 . 2]" 1
385 1 27 PRO QB 1 28 CYS H 1.800 . 5.500 2.980 2.751 3.425 . 0 0 "[ . 1 . 2]" 1
386 1 27 PRO QD 1 28 CYS H 1.800 . 6.000 2.958 2.852 3.104 . 0 0 "[ . 1 . 2]" 1
387 1 27 PRO QG 1 28 CYS H 1.800 . 4.500 3.665 2.835 4.027 . 0 0 "[ . 1 . 2]" 1
388 1 27 PRO QG 1 53 LEU QD 1.800 . 5.500 3.587 2.406 4.668 . 0 0 "[ . 1 . 2]" 1
389 1 27 PRO QD 1 53 LEU QD 1.800 . 6.000 3.772 3.169 4.721 . 0 0 "[ . 1 . 2]" 1
390 1 28 CYS H 1 28 CYS HB3 1.800 . 4.000 2.291 2.265 2.333 . 0 0 "[ . 1 . 2]" 1
391 1 28 CYS H 1 28 CYS HB2 1.800 . 4.000 3.555 3.544 3.580 . 0 0 "[ . 1 . 2]" 1
392 1 28 CYS H 1 28 CYS QB 1.800 . 3.500 2.265 2.240 2.304 . 0 0 "[ . 1 . 2]" 1
393 1 28 CYS H 1 29 GLY H 1.800 . 3.500 2.643 2.532 2.751 . 0 0 "[ . 1 . 2]" 1
394 1 28 CYS H 1 30 ASP H 1.800 . 5.000 4.420 3.975 4.764 . 0 0 "[ . 1 . 2]" 1
395 1 28 CYS HA 1 29 GLY H 1.800 . 5.000 3.528 3.491 3.557 . 0 0 "[ . 1 . 2]" 1
396 1 28 CYS HB3 1 29 GLY H 1.800 . 6.000 3.767 3.665 3.928 . 0 0 "[ . 1 . 2]" 1
397 1 28 CYS HB2 1 29 GLY H 1.800 . 6.000 4.078 4.043 4.127 . 0 0 "[ . 1 . 2]" 1
398 1 28 CYS QB 1 29 GLY H 1.800 . 5.500 3.474 3.410 3.572 . 0 0 "[ . 1 . 2]" 1
399 1 28 CYS QB 1 51 CYS QB 1.800 . 5.000 1.914 1.843 2.079 . 0 0 "[ . 1 . 2]" 1
400 1 29 GLY H 1 30 ASP HA 1.800 . 5.000 4.750 4.590 4.817 . 0 0 "[ . 1 . 2]" 1
401 1 29 GLY H 1 30 ASP HB3 1.800 . 6.000 5.016 4.809 5.573 . 0 0 "[ . 1 . 2]" 1
402 1 29 GLY H 1 30 ASP HB2 1.800 . 6.000 4.540 4.257 4.768 . 0 0 "[ . 1 . 2]" 1
403 1 29 GLY H 1 30 ASP QB 1.800 . 5.500 4.206 4.063 4.343 . 0 0 "[ . 1 . 2]" 1
404 1 29 GLY H 1 30 ASP H 1.800 . 3.500 2.355 1.996 2.613 . 0 0 "[ . 1 . 2]" 1
405 1 29 GLY HA3 1 30 ASP H 1.800 . 4.500 2.982 2.735 3.441 . 0 0 "[ . 1 . 2]" 1
406 1 29 GLY HA2 1 30 ASP H 1.800 . 4.500 3.453 3.141 3.573 . 0 0 "[ . 1 . 2]" 1
407 1 30 ASP H 1 30 ASP HB3 1.800 . 4.000 3.063 2.916 3.546 . 0 0 "[ . 1 . 2]" 1
408 1 30 ASP H 1 30 ASP HB2 1.800 . 4.000 2.344 2.142 2.701 . 0 0 "[ . 1 . 2]" 1
409 1 30 ASP H 1 30 ASP QB 1.800 . 3.500 2.262 2.121 2.539 . 0 0 "[ . 1 . 2]" 1
410 1 30 ASP H 1 31 ARG H 1.800 . 5.000 4.480 4.336 4.591 . 0 0 "[ . 1 . 2]" 1
411 1 30 ASP HA 1 31 ARG H 1.800 . 5.000 2.691 2.571 2.810 . 0 0 "[ . 1 . 2]" 1
412 1 30 ASP HB3 1 31 ARG H 1.800 . 4.500 2.477 1.993 2.864 . 0 0 "[ . 1 . 2]" 1
413 1 30 ASP HB2 1 31 ARG H 1.800 . 4.500 3.682 3.496 3.834 . 0 0 "[ . 1 . 2]" 1
414 1 30 ASP QB 1 31 ARG H 1.800 . 4.000 2.438 1.983 2.789 . 0 0 "[ . 1 . 2]" 1
415 1 31 ARG H 1 31 ARG QD 1.800 . 6.000 4.672 3.751 5.168 . 0 0 "[ . 1 . 2]" 1
416 1 31 ARG H 1 31 ARG QG 1.800 . 4.500 3.986 3.394 4.201 . 0 0 "[ . 1 . 2]" 1
417 1 31 ARG H 1 32 PHE H 1.800 . 5.000 4.342 4.132 4.490 . 0 0 "[ . 1 . 2]" 1
418 1 31 ARG HA 1 31 ARG QD 1.800 . 5.500 3.680 1.998 4.176 . 0 0 "[ . 1 . 2]" 1
419 1 31 ARG HA 1 31 ARG QG 1.800 . 5.000 2.304 2.114 2.547 . 0 0 "[ . 1 . 2]" 1
420 1 31 ARG HA 1 32 PHE H 1.800 . 3.500 2.172 2.139 2.305 . 0 0 "[ . 1 . 2]" 1
421 1 31 ARG QB 1 32 PHE H 1.800 . 5.000 3.554 3.050 3.910 . 0 0 "[ . 1 . 2]" 1
422 1 31 ARG QG 1 32 PHE H 1.800 . 5.000 2.992 2.091 3.650 . 0 0 "[ . 1 . 2]" 1
423 1 32 PHE H 1 32 PHE QD 1.800 . 5.500 3.542 2.616 4.276 . 0 0 "[ . 1 . 2]" 1
424 1 32 PHE H 1 33 GLN H 1.800 . 5.500 4.553 4.172 4.658 . 0 0 "[ . 1 . 2]" 1
425 1 32 PHE HA 1 33 GLN H 1.800 . 4.000 2.339 2.158 2.473 . 0 0 "[ . 1 . 2]" 1
426 1 32 PHE HA 1 48 CYS HA 1.800 . 5.000 4.343 3.937 4.660 . 0 0 "[ . 1 . 2]" 1
427 1 32 PHE QB 1 33 GLN H 1.800 . 5.000 3.082 2.321 3.923 . 0 0 "[ . 1 . 2]" 1
428 1 32 PHE QD 1 33 GLN H 1.800 . 6.000 2.952 2.184 4.047 . 0 0 "[ . 1 . 2]" 1
429 1 32 PHE QD 1 48 CYS HA 1.800 . 6.000 3.313 1.979 4.362 . 0 0 "[ . 1 . 2]" 1
430 1 32 PHE QD 1 48 CYS QB 1.800 . 6.000 3.715 2.521 4.286 . 0 0 "[ . 1 . 2]" 1
431 1 32 PHE QD 1 48 CYS H 1.800 . 6.000 4.903 4.355 5.522 . 0 0 "[ . 1 . 2]" 1
432 1 32 PHE QE 1 48 CYS H 1.800 . 6.000 3.490 2.493 5.546 . 0 0 "[ . 1 . 2]" 1
433 1 32 PHE QD 1 55 ILE MD 1.800 . 6.000 3.796 3.158 4.559 . 0 0 "[ . 1 . 2]" 1
434 1 32 PHE QE 1 55 ILE MD 1.800 . 6.000 3.407 2.364 4.171 . 0 0 "[ . 1 . 2]" 1
435 1 33 GLN H 1 33 GLN HG3 1.800 . 5.000 3.150 2.165 4.915 . 0 0 "[ . 1 . 2]" 1
436 1 33 GLN H 1 33 GLN HG2 1.800 . 5.000 2.832 2.052 4.612 . 0 0 "[ . 1 . 2]" 1
437 1 33 GLN H 1 34 ILE H 1.800 . 6.000 4.228 3.672 4.560 . 0 0 "[ . 1 . 2]" 1
438 1 33 GLN H 1 46 ALA MB 1.800 . 6.000 5.210 4.352 6.018 0.018 20 0 "[ . 1 . 2]" 1
439 1 33 GLN H 1 48 CYS HA 1.800 . 5.500 5.337 4.955 5.493 . 0 0 "[ . 1 . 2]" 1
440 1 33 GLN HA 1 34 ILE H 1.800 . 3.000 2.186 2.142 2.312 . 0 0 "[ . 1 . 2]" 1
441 1 33 GLN QB 1 33 GLN QE 1.800 . 4.500 2.875 2.062 3.660 . 0 0 "[ . 1 . 2]" 1
442 1 33 GLN QB 1 34 ILE H 1.800 . 4.500 3.141 2.613 3.801 . 0 0 "[ . 1 . 2]" 1
443 1 33 GLN QG 1 34 ILE H 1.800 . 6.000 4.217 2.828 4.582 . 0 0 "[ . 1 . 2]" 1
444 1 34 ILE H 1 34 ILE QG 1.800 . 5.500 4.154 4.084 4.217 . 0 0 "[ . 1 . 2]" 1
445 1 34 ILE H 1 34 ILE MG 1.800 . 4.000 2.359 2.085 2.705 . 0 0 "[ . 1 . 2]" 1
446 1 34 ILE HA 1 34 ILE MD 1.800 . 5.000 3.393 2.769 3.606 . 0 0 "[ . 1 . 2]" 1
447 1 34 ILE HA 1 34 ILE QG 1.800 . 5.500 2.307 2.266 2.528 . 0 0 "[ . 1 . 2]" 1
448 1 34 ILE HA 1 34 ILE MG 1.800 . 5.000 3.208 3.200 3.216 . 0 0 "[ . 1 . 2]" 1
449 1 34 ILE HA 1 35 TYR H 1.800 . 4.000 2.186 2.139 2.294 . 0 0 "[ . 1 . 2]" 1
450 1 34 ILE HB 1 35 TYR H 1.800 . 5.000 4.177 3.953 4.344 . 0 0 "[ . 1 . 2]" 1
451 1 34 ILE MD 1 35 TYR H 1.800 . 5.500 4.011 3.540 4.412 . 0 0 "[ . 1 . 2]" 1
452 1 34 ILE MD 1 39 MET QB 1.800 . 6.000 3.350 1.960 4.107 . 0 0 "[ . 1 . 2]" 1
453 1 34 ILE MD 1 39 MET QG 1.800 . 5.000 2.787 1.828 4.544 . 0 0 "[ . 1 . 2]" 1
454 1 34 ILE QG 1 35 TYR H 1.800 . 5.000 2.395 2.014 2.791 . 0 0 "[ . 1 . 2]" 1
455 1 34 ILE QG 1 39 MET QG 1.800 . 5.000 2.573 1.911 3.812 . 0 0 "[ . 1 . 2]" 1
456 1 34 ILE MG 1 35 TYR H 1.800 . 6.000 3.926 3.657 4.111 . 0 0 "[ . 1 . 2]" 1
457 1 34 ILE MD 1 43 GLU H 1.800 . 6.000 5.075 4.115 5.880 . 0 0 "[ . 1 . 2]" 1
458 1 34 ILE MD 1 44 LYS H 1.800 . 5.500 5.188 4.356 5.530 0.030 13 0 "[ . 1 . 2]" 1
459 1 34 ILE MD 1 45 VAL H 1.800 . 6.000 5.856 5.584 6.030 0.030 11 0 "[ . 1 . 2]" 1
460 1 35 TYR H 1 35 TYR QD 1.800 . 5.500 2.687 2.164 4.104 . 0 0 "[ . 1 . 2]" 1
461 1 35 TYR H 1 36 LEU H 1.800 . 5.500 4.588 4.509 4.618 . 0 0 "[ . 1 . 2]" 1
462 1 35 TYR H 1 37 ASP H 1.800 . 6.000 5.432 5.051 5.788 . 0 0 "[ . 1 . 2]" 1
463 1 35 TYR H 1 38 ASP H 1.800 . 5.500 4.134 3.753 4.864 . 0 0 "[ . 1 . 2]" 1
464 1 35 TYR HB3 1 36 LEU H 1.800 . 5.000 2.855 2.490 3.890 . 0 0 "[ . 1 . 2]" 1
465 1 35 TYR HB2 1 36 LEU H 1.800 . 5.000 3.985 3.742 4.506 . 0 0 "[ . 1 . 2]" 1
466 1 35 TYR QB 1 36 LEU H 1.800 . 4.500 2.788 2.458 3.672 . 0 0 "[ . 1 . 2]" 1
467 1 35 TYR QD 1 36 LEU H 1.800 . 6.000 3.596 2.097 4.063 . 0 0 "[ . 1 . 2]" 1
468 1 35 TYR QE 1 36 LEU H 1.800 . 6.000 5.574 3.892 6.010 0.010 7 0 "[ . 1 . 2]" 1
469 1 35 TYR HA 1 36 LEU H 1.800 . 3.500 2.294 2.160 2.391 . 0 0 "[ . 1 . 2]" 1
470 1 35 TYR HA 1 37 ASP H 1.800 . 5.500 4.264 3.913 4.531 . 0 0 "[ . 1 . 2]" 1
471 1 35 TYR HA 1 38 ASP H 1.800 . 5.500 4.602 4.474 4.707 . 0 0 "[ . 1 . 2]" 1
472 1 35 TYR HB3 1 37 ASP H 1.800 . 5.000 2.865 2.638 3.582 . 0 0 "[ . 1 . 2]" 1
473 1 35 TYR HB2 1 37 ASP H 1.800 . 5.000 3.955 3.334 4.968 . 0 0 "[ . 1 . 2]" 1
474 1 35 TYR QB 1 37 ASP H 1.800 . 4.500 2.796 2.581 3.504 . 0 0 "[ . 1 . 2]" 1
475 1 35 TYR QB 1 38 ASP H 1.800 . 4.000 2.562 2.146 2.795 . 0 0 "[ . 1 . 2]" 1
476 1 35 TYR HB3 1 38 ASP H 1.800 . 4.500 3.080 2.157 3.602 . 0 0 "[ . 1 . 2]" 1
477 1 35 TYR HB2 1 38 ASP H 1.800 . 4.500 2.991 2.573 4.063 . 0 0 "[ . 1 . 2]" 1
478 1 36 LEU H 1 36 LEU HB3 1.800 . 4.000 3.429 2.593 3.602 . 0 0 "[ . 1 . 2]" 1
479 1 36 LEU H 1 36 LEU HB2 1.800 . 4.000 2.588 2.193 3.612 . 0 0 "[ . 1 . 2]" 1
480 1 36 LEU H 1 36 LEU HG 1.800 . 5.500 2.883 1.996 4.122 . 0 0 "[ . 1 . 2]" 1
481 1 36 LEU H 1 36 LEU QD 1.800 . 5.500 2.609 1.946 3.235 . 0 0 "[ . 1 . 2]" 1
482 1 36 LEU H 1 37 ASP H 1.800 . 4.500 2.726 2.583 2.808 . 0 0 "[ . 1 . 2]" 1
483 1 36 LEU H 1 38 ASP H 1.800 . 5.500 4.219 4.075 4.462 . 0 0 "[ . 1 . 2]" 1
484 1 36 LEU HA 1 37 ASP H 1.800 . 4.500 3.543 3.512 3.568 . 0 0 "[ . 1 . 2]" 1
485 1 36 LEU HB3 1 37 ASP H 1.800 . 4.500 3.607 3.138 4.097 . 0 0 "[ . 1 . 2]" 1
486 1 36 LEU HB2 1 37 ASP H 1.800 . 4.500 2.856 2.474 3.806 . 0 0 "[ . 1 . 2]" 1
487 1 36 LEU QB 1 37 ASP H 1.800 . 4.000 2.738 2.433 3.504 . 0 0 "[ . 1 . 2]" 1
488 1 36 LEU QD 1 37 ASP H 1.800 . 5.500 3.711 2.261 4.172 . 0 0 "[ . 1 . 2]" 1
489 1 36 LEU HG 1 37 ASP H 1.800 . 5.500 4.350 2.280 5.192 . 0 0 "[ . 1 . 2]" 1
490 1 36 LEU HA 1 36 LEU HG 1.800 . 4.000 3.225 2.365 3.721 . 0 0 "[ . 1 . 2]" 1
491 1 36 LEU HA 1 36 LEU QD 1.800 . 5.000 2.341 1.892 3.418 . 0 0 "[ . 1 . 2]" 1
492 1 36 LEU HA 1 38 ASP H 1.800 . 5.500 4.328 4.186 4.487 . 0 0 "[ . 1 . 2]" 1
493 1 36 LEU HA 1 39 MET H 1.800 . 4.000 3.584 3.342 3.792 . 0 0 "[ . 1 . 2]" 1
494 1 36 LEU HA 1 39 MET QB 1.800 . 4.500 3.377 2.297 4.216 . 0 0 "[ . 1 . 2]" 1
495 1 36 LEU HA 1 40 PHE H 1.800 . 5.500 4.461 3.774 5.542 0.042 11 0 "[ . 1 . 2]" 1
496 1 36 LEU H 1 64 LEU HG 1.800 . 5.500 5.490 5.436 5.525 0.025 14 0 "[ . 1 . 2]" 1
497 1 36 LEU QB 1 67 TYR QD 1.800 . 6.000 4.915 4.289 5.750 . 0 0 "[ . 1 . 2]" 1
498 1 36 LEU QD 1 39 MET QB 1.800 . 5.000 4.240 3.325 5.014 0.014 7 0 "[ . 1 . 2]" 1
499 1 36 LEU QD 1 67 TYR QB 1.800 . 5.500 2.485 1.905 3.665 . 0 0 "[ . 1 . 2]" 1
500 1 36 LEU QD 1 67 TYR QD 1.800 . 6.000 2.576 1.898 3.983 . 0 0 "[ . 1 . 2]" 1
501 1 36 LEU QD 1 67 TYR QE 1.800 . 6.000 3.542 2.703 4.577 . 0 0 "[ . 1 . 2]" 1
502 1 36 LEU QD 1 68 TYR HA 1.800 . 5.500 4.229 3.252 5.462 . 0 0 "[ . 1 . 2]" 1
503 1 36 LEU QD 1 67 TYR H 1.800 . 6.000 4.453 3.890 5.360 . 0 0 "[ . 1 . 2]" 1
504 1 36 LEU QD 1 68 TYR H 1.800 . 5.500 4.149 3.355 5.446 . 0 0 "[ . 1 . 2]" 1
505 1 36 LEU QD 1 68 TYR QD 1.800 . 6.000 3.409 2.243 5.160 . 0 0 "[ . 1 . 2]" 1
506 1 36 LEU QD 1 68 TYR QE 1.800 . 6.000 3.895 2.011 5.886 . 0 0 "[ . 1 . 2]" 1
507 1 36 LEU QD 1 71 ALA MB 1.800 . 6.000 4.131 3.392 4.976 . 0 0 "[ . 1 . 2]" 1
508 1 36 LEU QD 1 73 ILE MD 1.800 . 6.000 5.141 3.985 5.924 . 0 0 "[ . 1 . 2]" 1
509 1 36 LEU HG 1 64 LEU QD 1.800 . 5.500 3.792 2.500 4.357 . 0 0 "[ . 1 . 2]" 1
510 1 36 LEU HG 1 67 TYR QB 1.800 . 5.500 4.332 2.554 5.480 . 0 0 "[ . 1 . 2]" 1
511 1 36 LEU HG 1 67 TYR QD 1.800 . 6.000 4.366 2.854 5.240 . 0 0 "[ . 1 . 2]" 1
512 1 36 LEU HG 1 67 TYR QE 1.800 . 6.000 5.477 4.461 6.016 0.016 10 0 "[ . 1 . 2]" 1
513 1 36 LEU HG 1 68 TYR QD 1.800 . 6.000 5.422 4.282 6.011 0.011 6 0 "[ . 1 . 2]" 1
514 1 37 ASP H 1 38 ASP H 1.800 . 4.000 2.700 2.593 2.806 . 0 0 "[ . 1 . 2]" 1
515 1 37 ASP H 1 39 MET H 1.800 . 6.000 4.399 4.148 4.690 . 0 0 "[ . 1 . 2]" 1
516 1 37 ASP HA 1 38 ASP H 1.800 . 4.000 3.540 3.520 3.563 . 0 0 "[ . 1 . 2]" 1
517 1 37 ASP HB3 1 38 ASP H 1.800 . 4.500 3.265 2.513 4.114 . 0 0 "[ . 1 . 2]" 1
518 1 37 ASP HB2 1 38 ASP H 1.800 . 4.500 3.381 2.581 3.802 . 0 0 "[ . 1 . 2]" 1
519 1 37 ASP QB 1 38 ASP H 1.800 . 4.000 2.834 2.467 3.460 . 0 0 "[ . 1 . 2]" 1
520 1 37 ASP HA 1 39 MET H 1.800 . 5.500 4.641 4.307 5.023 . 0 0 "[ . 1 . 2]" 1
521 1 37 ASP HA 1 40 PHE H 1.800 . 4.500 3.612 3.240 4.107 . 0 0 "[ . 1 . 2]" 1
522 1 37 ASP HA 1 40 PHE HB3 1.800 . 4.500 2.933 2.287 4.498 . 0 0 "[ . 1 . 2]" 1
523 1 37 ASP HA 1 40 PHE HB2 1.800 . 4.500 2.981 2.260 3.367 . 0 0 "[ . 1 . 2]" 1
524 1 37 ASP HA 1 40 PHE QB 1.800 . 4.000 2.442 2.239 3.040 . 0 0 "[ . 1 . 2]" 1
525 1 37 ASP HA 1 40 PHE QD 1.800 . 5.000 3.358 3.092 4.054 . 0 0 "[ . 1 . 2]" 1
526 1 37 ASP HA 1 40 PHE QE 1.800 . 5.500 5.480 5.216 5.538 0.038 4 0 "[ . 1 . 2]" 1
527 1 38 ASP H 1 38 ASP HB3 1.800 . 4.000 3.338 2.737 3.610 . 0 0 "[ . 1 . 2]" 1
528 1 38 ASP H 1 38 ASP HB2 1.800 . 4.000 2.274 2.133 2.564 . 0 0 "[ . 1 . 2]" 1
529 1 38 ASP H 1 38 ASP QB 1.800 . 3.500 2.231 2.099 2.513 . 0 0 "[ . 1 . 2]" 1
530 1 38 ASP H 1 39 MET H 1.800 . 3.500 2.760 2.632 2.880 . 0 0 "[ . 1 . 2]" 1
531 1 38 ASP H 1 39 MET QB 1.800 . 5.000 4.798 4.395 5.045 0.045 12 0 "[ . 1 . 2]" 1
532 1 38 ASP H 1 39 MET QG 1.800 . 5.000 4.427 3.824 5.018 0.018 4 0 "[ . 1 . 2]" 1
533 1 38 ASP H 1 40 PHE H 1.800 . 5.500 4.026 3.838 4.384 . 0 0 "[ . 1 . 2]" 1
534 1 38 ASP HA 1 39 MET H 1.800 . 5.000 3.558 3.533 3.583 . 0 0 "[ . 1 . 2]" 1
535 1 38 ASP HB3 1 39 MET H 1.800 . 5.000 2.971 2.242 3.658 . 0 0 "[ . 1 . 2]" 1
536 1 38 ASP HB2 1 39 MET H 1.800 . 5.000 2.879 2.318 3.686 . 0 0 "[ . 1 . 2]" 1
537 1 38 ASP QB 1 39 MET H 1.800 . 4.500 2.461 2.220 2.688 . 0 0 "[ . 1 . 2]" 1
538 1 38 ASP HA 1 41 GLU H 1.800 . 4.000 3.814 3.606 4.021 0.021 11 0 "[ . 1 . 2]" 1
539 1 38 ASP HA 1 41 GLU QB 1.800 . 4.500 3.508 3.118 4.109 . 0 0 "[ . 1 . 2]" 1
540 1 38 ASP QB 1 43 GLU QB 1.800 . 4.500 3.463 2.881 4.212 . 0 0 "[ . 1 . 2]" 1
541 1 38 ASP QB 1 43 GLU QG 1.800 . 5.000 3.952 3.108 4.977 . 0 0 "[ . 1 . 2]" 1
542 1 39 MET H 1 39 MET QG 1.800 . 3.500 2.395 2.067 3.040 . 0 0 "[ . 1 . 2]" 1
543 1 39 MET H 1 40 PHE H 1.800 . 4.000 2.723 2.489 3.055 . 0 0 "[ . 1 . 2]" 1
544 1 39 MET HA 1 40 PHE H 1.800 . 5.000 3.389 2.836 3.529 . 0 0 "[ . 1 . 2]" 1
545 1 39 MET HB3 1 40 PHE H 1.800 . 5.000 3.966 3.610 4.612 . 0 0 "[ . 1 . 2]" 1
546 1 39 MET HB2 1 40 PHE H 1.800 . 5.000 3.454 2.727 4.509 . 0 0 "[ . 1 . 2]" 1
547 1 39 MET QB 1 40 PHE H 1.800 . 4.500 3.220 2.657 4.061 . 0 0 "[ . 1 . 2]" 1
548 1 39 MET H 1 41 GLU H 1.800 . 5.500 4.450 4.234 4.735 . 0 0 "[ . 1 . 2]" 1
549 1 39 MET HA 1 41 GLU H 1.800 . 5.500 4.327 3.862 4.767 . 0 0 "[ . 1 . 2]" 1
550 1 39 MET HA 1 42 GLY H 1.800 . 5.000 3.650 3.235 4.771 . 0 0 "[ . 1 . 2]" 1
551 1 39 MET H 1 64 LEU MD1 1.800 . 5.500 4.683 3.703 5.497 . 0 0 "[ . 1 . 2]" 1
552 1 39 MET H 1 64 LEU MD2 1.800 . 5.500 4.868 4.347 5.402 . 0 0 "[ . 1 . 2]" 1
553 1 39 MET HB3 1 64 LEU MD1 1.800 . 5.500 3.999 2.897 5.114 . 0 0 "[ . 1 . 2]" 1
554 1 39 MET HB3 1 64 LEU MD2 1.800 . 5.500 5.290 4.633 5.520 0.020 14 0 "[ . 1 . 2]" 1
555 1 39 MET HB2 1 64 LEU MD1 1.800 . 5.500 3.370 2.028 4.476 . 0 0 "[ . 1 . 2]" 1
556 1 39 MET HB2 1 64 LEU MD2 1.800 . 5.500 4.587 3.701 5.241 . 0 0 "[ . 1 . 2]" 1
557 1 39 MET QB 1 64 LEU QD 1.800 . 5.000 3.055 1.998 3.889 . 0 0 "[ . 1 . 2]" 1
558 1 40 PHE H 1 40 PHE HB3 1.800 . 4.000 2.784 2.499 3.186 . 0 0 "[ . 1 . 2]" 1
559 1 40 PHE H 1 40 PHE HB2 1.800 . 4.000 2.498 2.082 3.263 . 0 0 "[ . 1 . 2]" 1
560 1 40 PHE H 1 40 PHE QD 1.800 . 5.000 4.084 3.495 4.403 . 0 0 "[ . 1 . 2]" 1
561 1 40 PHE H 1 41 GLU H 1.800 . 4.000 2.617 1.997 2.852 . 0 0 "[ . 1 . 2]" 1
562 1 40 PHE HA 1 41 GLU H 1.800 . 4.500 3.552 3.517 3.578 . 0 0 "[ . 1 . 2]" 1
563 1 40 PHE HB3 1 41 GLU H 1.800 . 4.500 2.648 2.438 2.947 . 0 0 "[ . 1 . 2]" 1
564 1 40 PHE HB2 1 41 GLU H 1.800 . 4.500 3.725 3.270 3.957 . 0 0 "[ . 1 . 2]" 1
565 1 40 PHE QB 1 41 GLU H 1.800 . 4.000 2.586 2.411 2.818 . 0 0 "[ . 1 . 2]" 1
566 1 40 PHE HA 1 42 GLY H 1.800 . 5.500 4.337 3.676 5.256 . 0 0 "[ . 1 . 2]" 1
567 1 40 PHE QD 1 41 GLU HA 1.800 . 5.500 4.374 4.078 5.111 . 0 0 "[ . 1 . 2]" 1
568 1 40 PHE QD 1 41 GLU QG 1.800 . 6.000 4.865 3.728 5.994 . 0 0 "[ . 1 . 2]" 1
569 1 40 PHE QD 1 61 LYS QD 1.800 . 6.000 4.547 2.819 5.905 . 0 0 "[ . 1 . 2]" 1
570 1 40 PHE QD 1 61 LYS QE 1.800 . 6.000 3.853 2.179 4.891 . 0 0 "[ . 1 . 2]" 1
571 1 40 PHE H 1 64 LEU MD1 1.800 . 5.000 3.828 2.719 5.013 0.013 10 0 "[ . 1 . 2]" 1
572 1 40 PHE H 1 64 LEU MD2 1.800 . 5.500 3.701 3.117 4.722 . 0 0 "[ . 1 . 2]" 1
573 1 40 PHE HA 1 64 LEU MD1 1.800 . 4.500 3.368 2.513 4.373 . 0 0 "[ . 1 . 2]" 1
574 1 40 PHE HA 1 64 LEU MD2 1.800 . 5.500 3.609 2.511 4.537 . 0 0 "[ . 1 . 2]" 1
575 1 40 PHE HB3 1 64 LEU MD1 1.800 . 5.000 4.602 3.375 5.020 0.020 20 0 "[ . 1 . 2]" 1
576 1 40 PHE HB2 1 64 LEU MD1 1.800 . 5.500 3.203 1.928 3.853 . 0 0 "[ . 1 . 2]" 1
577 1 40 PHE QD 1 64 LEU MD1 1.800 . 5.500 3.287 1.936 4.533 . 0 0 "[ . 1 . 2]" 1
578 1 41 GLU H 1 41 GLU HB3 1.800 . 4.000 3.257 2.405 3.589 . 0 0 "[ . 1 . 2]" 1
579 1 41 GLU H 1 41 GLU HB2 1.800 . 3.500 2.346 2.182 3.567 0.067 13 0 "[ . 1 . 2]" 1
580 1 41 GLU H 1 41 GLU QG 1.800 . 4.500 3.121 2.336 4.040 . 0 0 "[ . 1 . 2]" 1
581 1 41 GLU H 1 42 GLY H 1.800 . 4.000 2.757 2.595 3.154 . 0 0 "[ . 1 . 2]" 1
582 1 41 GLU H 1 43 GLU H 1.800 . 5.000 4.511 4.258 4.957 . 0 0 "[ . 1 . 2]" 1
583 1 41 GLU HA 1 42 GLY H 1.800 . 4.500 3.502 2.795 3.577 . 0 0 "[ . 1 . 2]" 1
584 1 41 GLU HB3 1 42 GLY H 1.800 . 5.500 3.241 2.538 4.375 . 0 0 "[ . 1 . 2]" 1
585 1 41 GLU HB2 1 42 GLY H 1.800 . 5.500 3.202 2.418 4.318 . 0 0 "[ . 1 . 2]" 1
586 1 41 GLU QB 1 43 GLU H 1.800 . 5.000 4.492 4.002 4.954 . 0 0 "[ . 1 . 2]" 1
587 1 41 GLU HG3 1 42 GLY H 1.800 . 6.000 4.683 2.999 5.345 . 0 0 "[ . 1 . 2]" 1
588 1 41 GLU HG2 1 42 GLY H 1.800 . 6.000 4.689 2.278 5.268 . 0 0 "[ . 1 . 2]" 1
589 1 41 GLU QG 1 42 GLY H 1.800 . 5.500 4.134 2.212 4.571 . 0 0 "[ . 1 . 2]" 1
590 1 42 GLY H 1 43 GLU H 1.800 . 3.500 2.321 2.047 3.033 . 0 0 "[ . 1 . 2]" 1
591 1 42 GLY HA3 1 43 GLU H 1.800 . 5.000 3.570 3.562 3.581 . 0 0 "[ . 1 . 2]" 1
592 1 42 GLY HA2 1 43 GLU H 1.800 . 5.000 2.635 2.426 2.772 . 0 0 "[ . 1 . 2]" 1
593 1 42 GLY QA 1 43 GLU H 1.800 . 4.500 2.569 2.388 2.682 . 0 0 "[ . 1 . 2]" 1
594 1 42 GLY H 1 43 GLU QB 1.800 . 5.500 3.478 3.303 4.397 . 0 0 "[ . 1 . 2]" 1
595 1 43 GLU H 1 43 GLU QB 1.800 . 3.500 2.420 2.219 2.716 . 0 0 "[ . 1 . 2]" 1
596 1 43 GLU H 1 43 GLU QG 1.800 . 5.000 4.108 3.887 4.303 . 0 0 "[ . 1 . 2]" 1
597 1 43 GLU H 1 44 LYS H 1.800 . 5.000 4.313 3.889 4.554 . 0 0 "[ . 1 . 2]" 1
598 1 43 GLU H 1 44 LYS QB 1.800 . 6.000 5.265 4.709 5.857 . 0 0 "[ . 1 . 2]" 1
599 1 43 GLU H 1 44 LYS QE 1.800 . 5.500 4.972 3.553 5.507 0.007 8 0 "[ . 1 . 2]" 1
600 1 43 GLU HA 1 44 LYS H 1.800 . 3.000 2.225 2.131 2.356 . 0 0 "[ . 1 . 2]" 1
601 1 43 GLU QB 1 44 LYS H 1.800 . 4.500 3.553 2.646 3.938 . 0 0 "[ . 1 . 2]" 1
602 1 43 GLU QG 1 44 LYS H 1.800 . 5.500 2.904 1.975 3.937 . 0 0 "[ . 1 . 2]" 1
603 1 43 GLU QG 1 45 VAL H 1.800 . 4.500 3.772 3.302 4.526 0.026 8 0 "[ . 1 . 2]" 1
604 1 43 GLU HA 1 44 LYS HA 1.800 . 4.500 4.444 4.396 4.520 0.020 17 0 "[ . 1 . 2]" 1
605 1 43 GLU HA 1 44 LYS QG 1.800 . 5.000 3.974 3.255 4.656 . 0 0 "[ . 1 . 2]" 1
606 1 43 GLU HA 1 44 LYS QE 1.800 . 5.500 4.670 3.437 5.519 0.019 10 0 "[ . 1 . 2]" 1
607 1 43 GLU QB 1 45 VAL H 1.800 . 5.000 4.961 4.482 5.048 0.048 16 0 "[ . 1 . 2]" 1
608 1 44 LYS H 1 44 LYS QG 1.800 . 4.500 2.756 2.020 3.862 . 0 0 "[ . 1 . 2]" 1
609 1 44 LYS H 1 44 LYS QD 1.800 . 6.000 4.102 2.103 4.851 . 0 0 "[ . 1 . 2]" 1
610 1 44 LYS H 1 45 VAL H 1.800 . 3.000 2.040 1.984 2.105 . 0 0 "[ . 1 . 2]" 1
611 1 44 LYS H 1 45 VAL HA 1.800 . 5.500 4.626 4.389 4.806 . 0 0 "[ . 1 . 2]" 1
612 1 44 LYS H 1 46 ALA MB 1.800 . 5.500 5.311 4.853 5.528 0.028 13 0 "[ . 1 . 2]" 1
613 1 44 LYS HA 1 44 LYS QG 1.800 . 5.500 2.861 2.173 3.433 . 0 0 "[ . 1 . 2]" 1
614 1 44 LYS HA 1 44 LYS QD 1.800 . 5.500 4.069 3.458 4.506 . 0 0 "[ . 1 . 2]" 1
615 1 44 LYS HA 1 45 VAL H 1.800 . 5.000 3.547 3.511 3.570 . 0 0 "[ . 1 . 2]" 1
616 1 44 LYS QB 1 44 LYS QD 1.800 . 4.000 2.139 1.953 2.355 . 0 0 "[ . 1 . 2]" 1
617 1 44 LYS QB 1 44 LYS QE 1.800 . 4.500 2.820 1.994 3.557 . 0 0 "[ . 1 . 2]" 1
618 1 44 LYS QB 1 45 VAL H 1.800 . 4.500 2.995 2.490 3.535 . 0 0 "[ . 1 . 2]" 1
619 1 44 LYS QB 1 57 VAL H 1.800 . 5.000 4.214 3.018 4.820 . 0 0 "[ . 1 . 2]" 1
620 1 44 LYS QG 1 45 VAL H 1.800 . 5.500 3.171 1.940 4.401 . 0 0 "[ . 1 . 2]" 1
621 1 44 LYS QG 1 57 VAL H 1.800 . 6.000 5.245 4.366 5.984 . 0 0 "[ . 1 . 2]" 1
622 1 45 VAL H 1 45 VAL HB 1.800 . 4.000 3.047 2.599 3.703 . 0 0 "[ . 1 . 2]" 1
623 1 45 VAL H 1 46 ALA H 1.800 . 5.500 4.150 3.803 4.496 . 0 0 "[ . 1 . 2]" 1
624 1 45 VAL HA 1 46 ALA H 1.800 . 3.000 2.195 2.125 2.378 . 0 0 "[ . 1 . 2]" 1
625 1 45 VAL HA 1 55 ILE H 1.800 . 5.500 4.070 3.617 4.581 . 0 0 "[ . 1 . 2]" 1
626 1 45 VAL HA 1 56 ASP HA 1.800 . 5.000 2.762 2.232 3.420 . 0 0 "[ . 1 . 2]" 1
627 1 45 VAL HA 1 57 VAL H 1.800 . 5.500 3.450 2.573 4.058 . 0 0 "[ . 1 . 2]" 1
628 1 45 VAL H 1 46 ALA MB 1.800 . 5.000 4.921 4.660 5.016 0.016 20 0 "[ . 1 . 2]" 1
629 1 45 VAL HB 1 46 ALA H 1.800 . 5.000 4.229 3.535 4.615 . 0 0 "[ . 1 . 2]" 1
630 1 45 VAL QG 1 46 ALA H 1.800 . 5.500 3.184 2.532 3.745 . 0 0 "[ . 1 . 2]" 1
631 1 45 VAL QG 1 55 ILE H 1.800 . 5.500 3.195 2.381 4.507 . 0 0 "[ . 1 . 2]" 1
632 1 45 VAL QG 1 57 VAL H 1.800 . 6.000 4.374 3.984 5.147 . 0 0 "[ . 1 . 2]" 1
633 1 46 ALA H 1 46 ALA MB 1.800 . 3.500 2.339 2.157 2.547 . 0 0 "[ . 1 . 2]" 1
634 1 46 ALA H 1 47 VAL H 1.800 . 5.500 4.550 4.425 4.602 . 0 0 "[ . 1 . 2]" 1
635 1 46 ALA HA 1 47 VAL H 1.800 . 3.000 2.368 2.189 2.536 . 0 0 "[ . 1 . 2]" 1
636 1 46 ALA HA 1 47 VAL QG 1.800 . 5.000 3.417 3.087 3.750 . 0 0 "[ . 1 . 2]" 1
637 1 46 ALA H 1 54 MET HA 1.800 . 5.500 5.054 4.581 5.433 . 0 0 "[ . 1 . 2]" 1
638 1 46 ALA H 1 55 ILE H 1.800 . 4.000 3.548 3.230 3.850 . 0 0 "[ . 1 . 2]" 1
639 1 46 ALA H 1 56 ASP HA 1.800 . 4.500 4.077 3.670 4.431 . 0 0 "[ . 1 . 2]" 1
640 1 46 ALA H 1 57 VAL H 1.800 . 6.000 3.802 3.118 4.252 . 0 0 "[ . 1 . 2]" 1
641 1 46 ALA H 1 55 ILE MD 1.800 . 4.500 3.178 2.159 4.284 . 0 0 "[ . 1 . 2]" 1
642 1 46 ALA H 1 55 ILE MG 1.800 . 5.500 5.462 5.285 5.511 0.011 10 0 "[ . 1 . 2]" 1
643 1 46 ALA MB 1 54 MET HA 1.800 . 6.000 5.247 4.741 5.636 . 0 0 "[ . 1 . 2]" 1
644 1 47 VAL H 1 47 VAL HB 1.800 . 4.000 3.200 2.660 3.811 . 0 0 "[ . 1 . 2]" 1
645 1 47 VAL H 1 47 VAL QG 1.800 . 3.500 2.198 1.968 2.739 . 0 0 "[ . 1 . 2]" 1
646 1 47 VAL H 1 48 CYS H 1.800 . 5.500 4.345 4.205 4.470 . 0 0 "[ . 1 . 2]" 1
647 1 47 VAL HA 1 48 CYS H 1.800 . 3.000 2.156 2.134 2.213 . 0 0 "[ . 1 . 2]" 1
648 1 47 VAL QG 1 48 CYS H 1.800 . 4.000 2.821 2.277 3.557 . 0 0 "[ . 1 . 2]" 1
649 1 47 VAL QG 1 52 SER H 1.800 . 5.500 4.285 3.574 5.422 . 0 0 "[ . 1 . 2]" 1
650 1 47 VAL HA 1 53 LEU H 1.800 . 5.000 4.567 4.251 4.853 . 0 0 "[ . 1 . 2]" 1
651 1 47 VAL HA 1 54 MET HA 1.800 . 4.000 3.127 2.388 3.612 . 0 0 "[ . 1 . 2]" 1
652 1 47 VAL HA 1 55 ILE H 1.800 . 4.500 4.085 3.488 4.348 . 0 0 "[ . 1 . 2]" 1
653 1 47 VAL HA 1 52 SER H 1.800 . 6.000 5.800 5.599 5.972 . 0 0 "[ . 1 . 2]" 1
654 1 47 VAL HA 1 54 MET HG3 1.800 . 5.500 4.660 3.374 5.375 . 0 0 "[ . 1 . 2]" 1
655 1 47 VAL HA 1 54 MET HG2 1.800 . 5.500 4.131 3.351 4.740 . 0 0 "[ . 1 . 2]" 1
656 1 47 VAL HA 1 54 MET QG 1.800 . 5.000 3.851 2.996 4.445 . 0 0 "[ . 1 . 2]" 1
657 1 47 VAL QG 1 54 MET QG 1.800 . 5.000 2.729 1.918 3.580 . 0 0 "[ . 1 . 2]" 1
658 1 48 CYS H 1 52 SER H 1.800 . 6.000 4.013 3.791 4.422 . 0 0 "[ . 1 . 2]" 1
659 1 48 CYS H 1 52 SER QB 1.800 . 6.000 5.305 4.892 5.961 . 0 0 "[ . 1 . 2]" 1
660 1 48 CYS H 1 53 LEU H 1.800 . 5.000 3.017 2.794 3.309 . 0 0 "[ . 1 . 2]" 1
661 1 48 CYS H 1 53 LEU HA 1.800 . 6.000 4.924 4.778 5.082 . 0 0 "[ . 1 . 2]" 1
662 1 48 CYS H 1 54 MET HA 1.800 . 5.000 4.347 3.914 4.731 . 0 0 "[ . 1 . 2]" 1
663 1 48 CYS H 1 55 ILE H 1.800 . 5.500 5.272 4.669 5.519 0.019 7 0 "[ . 1 . 2]" 1
664 1 48 CYS H 1 54 MET HG3 1.800 . 6.000 5.810 4.867 6.004 0.004 2 0 "[ . 1 . 2]" 1
665 1 48 CYS H 1 54 MET HG2 1.800 . 6.000 5.787 5.321 6.013 0.013 20 0 "[ . 1 . 2]" 1
666 1 48 CYS H 1 54 MET QG 1.800 . 5.500 5.151 4.507 5.348 . 0 0 "[ . 1 . 2]" 1
667 1 48 CYS HA 1 49 PRO QD 1.800 . 4.500 1.962 1.913 1.984 . 0 0 "[ . 1 . 2]" 1
668 1 48 CYS HA 1 50 SER H 1.800 . 5.500 3.839 3.636 3.906 . 0 0 "[ . 1 . 2]" 1
669 1 48 CYS QB 1 51 CYS H 1.800 . 5.500 2.949 2.865 3.246 . 0 0 "[ . 1 . 2]" 1
670 1 48 CYS HB3 1 52 SER H 1.800 . 5.000 2.442 2.087 3.094 . 0 0 "[ . 1 . 2]" 1
671 1 48 CYS HB2 1 52 SER H 1.800 . 5.000 4.163 3.833 4.716 . 0 0 "[ . 1 . 2]" 1
672 1 48 CYS QB 1 52 SER H 1.800 . 4.500 2.425 2.079 3.054 . 0 0 "[ . 1 . 2]" 1
673 1 48 CYS QB 1 52 SER QB 1.800 . 6.000 4.744 4.401 5.387 . 0 0 "[ . 1 . 2]" 1
674 1 48 CYS HB3 1 53 LEU H 1.800 . 4.500 2.210 1.924 2.709 . 0 0 "[ . 1 . 2]" 1
675 1 48 CYS HB2 1 53 LEU H 1.800 . 4.500 3.509 3.067 4.300 . 0 0 "[ . 1 . 2]" 1
676 1 48 CYS QB 1 53 LEU H 1.800 . 4.000 2.187 1.906 2.682 . 0 0 "[ . 1 . 2]" 1
677 1 48 CYS H 1 49 PRO QD 1.800 . 5.000 4.323 4.080 4.376 . 0 0 "[ . 1 . 2]" 1
678 1 49 PRO QB 1 50 SER H 1.800 . 5.000 3.794 2.998 3.953 . 0 0 "[ . 1 . 2]" 1
679 1 49 PRO HB3 1 50 SER H 1.800 . 5.500 4.579 4.258 4.637 . 0 0 "[ . 1 . 2]" 1
680 1 49 PRO HB2 1 50 SER H 1.800 . 5.500 4.073 3.063 4.286 . 0 0 "[ . 1 . 2]" 1
681 1 50 SER H 1 51 CYS H 1.800 . 3.500 2.321 2.182 2.851 . 0 0 "[ . 1 . 2]" 1
682 1 50 SER H 1 52 SER H 1.800 . 4.500 2.783 2.571 3.489 . 0 0 "[ . 1 . 2]" 1
683 1 50 SER H 1 52 SER HA 1.800 . 5.000 4.345 4.137 4.976 . 0 0 "[ . 1 . 2]" 1
684 1 50 SER HA 1 51 CYS H 1.800 . 4.500 3.585 3.579 3.595 . 0 0 "[ . 1 . 2]" 1
685 1 50 SER QB 1 51 CYS H 1.800 . 4.500 2.238 2.051 2.415 . 0 0 "[ . 1 . 2]" 1
686 1 50 SER QB 1 52 SER H 1.800 . 6.000 4.126 4.055 4.190 . 0 0 "[ . 1 . 2]" 1
687 1 51 CYS H 1 52 SER H 1.800 . 3.500 2.227 2.132 2.434 . 0 0 "[ . 1 . 2]" 1
688 1 51 CYS H 1 52 SER QB 1.800 . 5.000 4.659 4.580 4.835 . 0 0 "[ . 1 . 2]" 1
689 1 51 CYS HA 1 52 SER H 1.800 . 5.000 3.438 3.376 3.482 . 0 0 "[ . 1 . 2]" 1
690 1 51 CYS HB3 1 52 SER H 1.800 . 6.000 4.154 4.041 4.245 . 0 0 "[ . 1 . 2]" 1
691 1 51 CYS HB2 1 52 SER H 1.800 . 6.000 4.173 4.052 4.291 . 0 0 "[ . 1 . 2]" 1
692 1 51 CYS QB 1 52 SER H 1.800 . 5.500 3.709 3.605 3.802 . 0 0 "[ . 1 . 2]" 1
693 1 52 SER H 1 52 SER QB 1.800 . 3.500 3.009 2.945 3.186 . 0 0 "[ . 1 . 2]" 1
694 1 52 SER H 1 53 LEU H 1.800 . 4.500 2.606 2.507 2.721 . 0 0 "[ . 1 . 2]" 1
695 1 52 SER QB 1 53 LEU H 1.800 . 4.500 3.915 3.846 4.088 . 0 0 "[ . 1 . 2]" 1
696 1 53 LEU H 1 53 LEU QD 1.800 . 5.500 3.619 2.579 3.833 . 0 0 "[ . 1 . 2]" 1
697 1 53 LEU H 1 53 LEU HG 1.800 . 5.000 4.329 2.946 4.745 . 0 0 "[ . 1 . 2]" 1
698 1 53 LEU H 1 54 MET H 1.800 . 5.000 4.534 4.431 4.641 . 0 0 "[ . 1 . 2]" 1
699 1 53 LEU HA 1 54 MET H 1.800 . 3.500 2.205 2.152 2.334 . 0 0 "[ . 1 . 2]" 1
700 1 53 LEU HB3 1 54 MET H 1.800 . 5.000 3.885 2.892 4.245 . 0 0 "[ . 1 . 2]" 1
701 1 53 LEU HB2 1 54 MET H 1.800 . 5.000 4.191 3.979 4.415 . 0 0 "[ . 1 . 2]" 1
702 1 53 LEU QB 1 54 MET H 1.800 . 4.500 3.545 2.839 3.828 . 0 0 "[ . 1 . 2]" 1
703 1 53 LEU HG 1 54 MET H 1.800 . 5.000 3.107 2.094 4.927 . 0 0 "[ . 1 . 2]" 1
704 1 53 LEU QD 1 54 MET H 1.800 . 5.000 2.784 1.980 3.396 . 0 0 "[ . 1 . 2]" 1
705 1 54 MET H 1 54 MET HG3 1.800 . 5.500 2.921 2.346 3.180 . 0 0 "[ . 1 . 2]" 1
706 1 54 MET H 1 54 MET HG2 1.800 . 5.500 3.962 3.384 4.209 . 0 0 "[ . 1 . 2]" 1
707 1 54 MET H 1 55 ILE H 1.800 . 6.000 4.507 4.261 4.599 . 0 0 "[ . 1 . 2]" 1
708 1 54 MET HA 1 55 ILE H 1.800 . 3.000 2.168 2.135 2.223 . 0 0 "[ . 1 . 2]" 1
709 1 54 MET QB 1 55 ILE H 1.800 . 4.500 3.176 2.947 3.432 . 0 0 "[ . 1 . 2]" 1
710 1 54 MET HG3 1 55 ILE H 1.800 . 5.500 4.907 4.514 5.174 . 0 0 "[ . 1 . 2]" 1
711 1 54 MET HG2 1 55 ILE H 1.800 . 5.500 4.030 3.698 4.638 . 0 0 "[ . 1 . 2]" 1
712 1 55 ILE H 1 55 ILE MD 1.800 . 4.500 3.637 3.303 4.064 . 0 0 "[ . 1 . 2]" 1
713 1 55 ILE H 1 55 ILE QG 1.800 . 4.500 2.139 1.974 2.381 . 0 0 "[ . 1 . 2]" 1
714 1 55 ILE H 1 55 ILE MG 1.800 . 5.000 3.167 2.977 3.287 . 0 0 "[ . 1 . 2]" 1
715 1 55 ILE H 1 56 ASP H 1.800 . 5.500 4.392 4.309 4.474 . 0 0 "[ . 1 . 2]" 1
716 1 55 ILE HA 1 55 ILE MD 1.800 . 5.500 3.878 3.653 4.161 . 0 0 "[ . 1 . 2]" 1
717 1 55 ILE HA 1 55 ILE MG 1.800 . 5.000 2.225 2.125 2.338 . 0 0 "[ . 1 . 2]" 1
718 1 55 ILE HA 1 56 ASP H 1.800 . 3.500 2.248 2.157 2.403 . 0 0 "[ . 1 . 2]" 1
719 1 55 ILE HB 1 55 ILE MD 1.800 . 4.500 2.134 2.048 2.265 . 0 0 "[ . 1 . 2]" 1
720 1 55 ILE HB 1 56 ASP H 1.800 . 4.500 2.819 2.361 3.130 . 0 0 "[ . 1 . 2]" 1
721 1 55 ILE MD 1 56 ASP H 1.800 . 5.500 3.832 2.974 4.596 . 0 0 "[ . 1 . 2]" 1
722 1 55 ILE MD 1 57 VAL H 1.800 . 6.000 3.304 2.464 4.655 . 0 0 "[ . 1 . 2]" 1
723 1 55 ILE MD 1 57 VAL QG 1.800 . 5.500 2.758 2.369 3.178 . 0 0 "[ . 1 . 2]" 1
724 1 55 ILE MG 1 56 ASP H 1.800 . 5.000 3.710 3.551 3.813 . 0 0 "[ . 1 . 2]" 1
725 1 55 ILE MG 1 57 VAL H 1.800 . 6.000 5.817 5.482 6.043 0.043 16 0 "[ . 1 . 2]" 1
726 1 56 ASP H 1 57 VAL H 1.800 . 5.500 4.124 3.969 4.264 . 0 0 "[ . 1 . 2]" 1
727 1 56 ASP HA 1 57 VAL H 1.800 . 3.000 2.220 2.158 2.296 . 0 0 "[ . 1 . 2]" 1
728 1 56 ASP HB3 1 57 VAL H 1.800 . 5.000 3.892 3.695 4.083 . 0 0 "[ . 1 . 2]" 1
729 1 56 ASP HB2 1 57 VAL H 1.800 . 5.000 4.430 4.279 4.558 . 0 0 "[ . 1 . 2]" 1
730 1 56 ASP HB3 1 58 VAL HB 1.800 . 6.000 5.370 4.890 5.811 . 0 0 "[ . 1 . 2]" 1
731 1 56 ASP HB2 1 58 VAL HB 1.800 . 6.000 5.964 5.841 6.048 0.048 8 0 "[ . 1 . 2]" 1
732 1 56 ASP QB 1 58 VAL QG 1.800 . 6.000 4.949 4.733 5.126 . 0 0 "[ . 1 . 2]" 1
733 1 57 VAL H 1 57 VAL HB 1.800 . 4.000 2.872 2.709 3.599 . 0 0 "[ . 1 . 2]" 1
734 1 57 VAL H 1 57 VAL MG1 1.800 . 4.000 2.060 1.963 3.338 . 0 0 "[ . 1 . 2]" 1
735 1 57 VAL H 1 57 VAL MG2 1.800 . 5.500 3.745 1.985 3.872 . 0 0 "[ . 1 . 2]" 1
736 1 57 VAL H 1 57 VAL QG 1.800 . 5.500 1.986 1.958 2.041 . 0 0 "[ . 1 . 2]" 1
737 1 57 VAL H 1 58 VAL H 1.800 . 5.000 4.399 4.260 4.577 . 0 0 "[ . 1 . 2]" 1
738 1 57 VAL HA 1 58 VAL H 1.800 . 3.000 2.144 2.127 2.194 . 0 0 "[ . 1 . 2]" 1
739 1 57 VAL HB 1 58 VAL H 1.800 . 5.000 4.258 3.623 4.379 . 0 0 "[ . 1 . 2]" 1
740 1 57 VAL MG1 1 58 VAL H 1.800 . 5.000 4.030 3.711 4.151 . 0 0 "[ . 1 . 2]" 1
741 1 57 VAL MG2 1 58 VAL H 1.800 . 5.500 2.794 2.227 4.380 . 0 0 "[ . 1 . 2]" 1
742 1 57 VAL MG1 1 59 PHE HA 1.800 . 5.500 5.488 5.147 5.533 0.033 16 0 "[ . 1 . 2]" 1
743 1 57 VAL MG2 1 59 PHE HA 1.800 . 5.500 4.453 4.197 5.510 0.010 16 0 "[ . 1 . 2]" 1
744 1 57 VAL QG 1 59 PHE QB 1.800 . 6.000 3.480 3.058 3.968 . 0 0 "[ . 1 . 2]" 1
745 1 57 VAL QG 1 59 PHE QD 1.800 . 6.000 3.419 2.277 4.241 . 0 0 "[ . 1 . 2]" 1
746 1 58 VAL H 1 58 VAL MG1 1.800 . 5.000 2.040 1.973 2.126 . 0 0 "[ . 1 . 2]" 1
747 1 58 VAL H 1 58 VAL MG2 1.800 . 5.000 3.815 3.793 3.870 . 0 0 "[ . 1 . 2]" 1
748 1 58 VAL H 1 58 VAL QG 1.800 . 4.500 2.032 1.967 2.115 . 0 0 "[ . 1 . 2]" 1
749 1 58 VAL H 1 59 PHE H 1.800 . 5.500 4.518 4.060 4.610 . 0 0 "[ . 1 . 2]" 1
750 1 58 VAL HA 1 59 PHE H 1.800 . 3.000 2.195 2.140 2.299 . 0 0 "[ . 1 . 2]" 1
751 1 58 VAL HB 1 59 PHE H 1.800 . 5.500 4.134 3.945 4.540 . 0 0 "[ . 1 . 2]" 1
752 1 58 VAL MG1 1 59 PHE H 1.800 . 5.000 3.851 3.603 4.209 . 0 0 "[ . 1 . 2]" 1
753 1 58 VAL MG2 1 59 PHE H 1.800 . 5.000 2.385 2.073 3.508 . 0 0 "[ . 1 . 2]" 1
754 1 58 VAL QG 1 59 PHE H 1.800 . 4.500 2.358 2.061 3.343 . 0 0 "[ . 1 . 2]" 1
755 1 58 VAL MG1 1 59 PHE HA 1.800 . 6.000 3.902 3.740 4.333 . 0 0 "[ . 1 . 2]" 1
756 1 58 VAL MG2 1 59 PHE HA 1.800 . 6.000 3.751 3.579 4.252 . 0 0 "[ . 1 . 2]" 1
757 1 58 VAL QG 1 59 PHE HA 1.800 . 5.500 3.403 3.269 3.823 . 0 0 "[ . 1 . 2]" 1
758 1 59 PHE H 1 59 PHE QD 1.800 . 5.500 2.614 2.135 3.230 . 0 0 "[ . 1 . 2]" 1
759 1 59 PHE H 1 60 ASP H 1.800 . 6.000 4.459 4.417 4.629 . 0 0 "[ . 1 . 2]" 1
760 1 59 PHE HA 1 60 ASP H 1.800 . 4.000 2.472 2.214 2.585 . 0 0 "[ . 1 . 2]" 1
761 1 59 PHE HB3 1 60 ASP H 1.800 . 5.000 3.726 3.566 4.047 . 0 0 "[ . 1 . 2]" 1
762 1 59 PHE HB2 1 60 ASP H 1.800 . 5.000 2.356 2.117 2.926 . 0 0 "[ . 1 . 2]" 1
763 1 59 PHE QD 1 60 ASP H 1.800 . 5.500 3.194 2.861 4.358 . 0 0 "[ . 1 . 2]" 1
764 1 59 PHE QD 1 61 LYS HA 1.800 . 5.500 4.033 3.212 4.677 . 0 0 "[ . 1 . 2]" 1
765 1 59 PHE QD 1 64 LEU QD 1.800 . 6.000 3.137 2.423 4.457 . 0 0 "[ . 1 . 2]" 1
766 1 59 PHE QE 1 64 LEU QD 1.800 . 6.000 3.889 2.931 5.622 . 0 0 "[ . 1 . 2]" 1
767 1 60 ASP H 1 61 LYS H 1.800 . 6.000 4.113 2.101 4.542 . 0 0 "[ . 1 . 2]" 1
768 1 60 ASP HA 1 61 LYS H 1.800 . 4.000 2.537 2.159 3.502 . 0 0 "[ . 1 . 2]" 1
769 1 60 ASP QB 1 61 LYS H 1.800 . 5.500 2.927 2.095 3.642 . 0 0 "[ . 1 . 2]" 1
770 1 60 ASP QB 1 62 GLU H 1.800 . 5.000 3.086 2.444 3.702 . 0 0 "[ . 1 . 2]" 1
771 1 60 ASP QB 1 63 ASP H 1.800 . 5.500 2.811 2.128 4.747 . 0 0 "[ . 1 . 2]" 1
772 1 60 ASP HA 1 62 GLU H 1.800 . 5.500 4.321 4.016 4.768 . 0 0 "[ . 1 . 2]" 1
773 1 61 LYS H 1 61 LYS QD 1.800 . 5.500 4.187 2.153 5.381 . 0 0 "[ . 1 . 2]" 1
774 1 61 LYS H 1 61 LYS QG 1.800 . 5.500 3.420 2.623 4.103 . 0 0 "[ . 1 . 2]" 1
775 1 61 LYS H 1 62 GLU H 1.800 . 5.000 2.436 2.066 2.730 . 0 0 "[ . 1 . 2]" 1
776 1 61 LYS H 1 63 ASP H 1.800 . 5.500 4.142 3.374 5.247 . 0 0 "[ . 1 . 2]" 1
777 1 61 LYS HA 1 61 LYS QD 1.800 . 5.000 3.638 2.514 4.158 . 0 0 "[ . 1 . 2]" 1
778 1 61 LYS HA 1 61 LYS QG 1.800 . 4.500 2.301 2.051 2.624 . 0 0 "[ . 1 . 2]" 1
779 1 61 LYS HA 1 62 GLU H 1.800 . 5.000 3.400 2.944 3.563 . 0 0 "[ . 1 . 2]" 1
780 1 61 LYS QB 1 61 LYS QE 1.800 . 4.500 3.338 2.103 3.672 . 0 0 "[ . 1 . 2]" 1
781 1 61 LYS QB 1 62 GLU H 1.800 . 4.500 2.936 2.477 3.795 . 0 0 "[ . 1 . 2]" 1
782 1 61 LYS QG 1 62 GLU H 1.800 . 5.500 4.334 3.995 4.560 . 0 0 "[ . 1 . 2]" 1
783 1 61 LYS HA 1 63 ASP H 1.800 . 5.000 4.439 4.057 5.011 0.011 2 0 "[ . 1 . 2]" 1
784 1 61 LYS HA 1 64 LEU H 1.800 . 4.500 3.556 3.345 3.913 . 0 0 "[ . 1 . 2]" 1
785 1 61 LYS HA 1 64 LEU QB 1.800 . 4.500 2.847 2.409 3.357 . 0 0 "[ . 1 . 2]" 1
786 1 61 LYS HA 1 64 LEU MD1 1.800 . 5.000 3.003 2.006 3.830 . 0 0 "[ . 1 . 2]" 1
787 1 61 LYS HA 1 64 LEU MD2 1.800 . 5.000 4.375 3.707 4.943 . 0 0 "[ . 1 . 2]" 1
788 1 61 LYS HA 1 64 LEU QD 1.800 . 4.500 2.939 1.997 3.580 . 0 0 "[ . 1 . 2]" 1
789 1 61 LYS HA 1 65 ALA H 1.800 . 5.500 4.435 3.655 4.957 . 0 0 "[ . 1 . 2]" 1
790 1 62 GLU H 1 62 GLU QG 1.800 . 4.500 3.316 2.068 4.044 . 0 0 "[ . 1 . 2]" 1
791 1 62 GLU H 1 63 ASP H 1.800 . 3.500 2.639 2.198 2.939 . 0 0 "[ . 1 . 2]" 1
792 1 62 GLU HA 1 63 ASP H 1.800 . 4.500 3.548 3.525 3.586 . 0 0 "[ . 1 . 2]" 1
793 1 62 GLU QB 1 63 ASP H 1.800 . 4.500 2.612 2.070 3.483 . 0 0 "[ . 1 . 2]" 1
794 1 62 GLU QG 1 63 ASP H 1.800 . 5.500 3.948 2.117 4.580 . 0 0 "[ . 1 . 2]" 1
795 1 62 GLU HA 1 64 LEU H 1.800 . 5.000 4.441 3.980 4.721 . 0 0 "[ . 1 . 2]" 1
796 1 62 GLU HA 1 65 ALA H 1.800 . 4.000 3.690 3.335 4.031 0.031 2 0 "[ . 1 . 2]" 1
797 1 62 GLU HA 1 65 ALA MB 1.800 . 4.500 3.089 2.466 4.091 . 0 0 "[ . 1 . 2]" 1
798 1 63 ASP H 1 64 LEU H 1.800 . 3.500 2.723 2.523 2.870 . 0 0 "[ . 1 . 2]" 1
799 1 63 ASP HA 1 64 LEU H 1.800 . 5.000 3.544 3.476 3.570 . 0 0 "[ . 1 . 2]" 1
800 1 63 ASP HB3 1 64 LEU H 1.800 . 5.500 3.248 2.478 4.159 . 0 0 "[ . 1 . 2]" 1
801 1 63 ASP HB2 1 64 LEU H 1.800 . 5.500 3.125 2.537 3.887 . 0 0 "[ . 1 . 2]" 1
802 1 63 ASP QB 1 64 LEU H 1.800 . 5.000 2.697 2.441 3.533 . 0 0 "[ . 1 . 2]" 1
803 1 63 ASP HA 1 65 ALA H 1.800 . 5.500 4.502 3.983 4.960 . 0 0 "[ . 1 . 2]" 1
804 1 63 ASP HA 1 66 GLU H 1.800 . 4.500 3.507 3.025 3.845 . 0 0 "[ . 1 . 2]" 1
805 1 63 ASP HA 1 66 GLU QB 1.800 . 4.500 2.670 2.220 3.268 . 0 0 "[ . 1 . 2]" 1
806 1 63 ASP QB 1 65 ALA H 1.800 . 6.000 4.859 4.535 5.527 . 0 0 "[ . 1 . 2]" 1
807 1 64 LEU H 1 64 LEU MD1 1.800 . 5.000 3.128 2.024 3.973 . 0 0 "[ . 1 . 2]" 1
808 1 64 LEU H 1 64 LEU MD2 1.800 . 4.500 4.319 4.154 4.450 . 0 0 "[ . 1 . 2]" 1
809 1 64 LEU H 1 64 LEU HG 1.800 . 4.000 3.860 3.567 4.016 0.016 14 0 "[ . 1 . 2]" 1
810 1 64 LEU H 1 65 ALA H 1.800 . 4.500 2.803 2.570 2.936 . 0 0 "[ . 1 . 2]" 1
811 1 64 LEU HA 1 64 LEU MD1 1.800 . 5.500 3.291 2.859 3.704 . 0 0 "[ . 1 . 2]" 1
812 1 64 LEU HA 1 64 LEU MD2 1.800 . 5.500 3.200 2.614 3.628 . 0 0 "[ . 1 . 2]" 1
813 1 64 LEU HA 1 64 LEU QD 1.800 . 5.000 2.791 2.563 2.922 . 0 0 "[ . 1 . 2]" 1
814 1 64 LEU HA 1 65 ALA H 1.800 . 5.000 3.558 3.520 3.584 . 0 0 "[ . 1 . 2]" 1
815 1 64 LEU HB3 1 65 ALA H 1.800 . 5.000 2.872 2.399 3.347 . 0 0 "[ . 1 . 2]" 1
816 1 64 LEU HB2 1 65 ALA H 1.800 . 4.500 3.066 2.609 3.532 . 0 0 "[ . 1 . 2]" 1
817 1 64 LEU QD 1 65 ALA H 1.800 . 5.500 3.875 3.549 4.073 . 0 0 "[ . 1 . 2]" 1
818 1 64 LEU MD1 1 65 ALA H 1.800 . 6.000 4.513 4.131 4.934 . 0 0 "[ . 1 . 2]" 1
819 1 64 LEU MD2 1 65 ALA H 1.800 . 6.000 4.314 3.713 4.808 . 0 0 "[ . 1 . 2]" 1
820 1 64 LEU HG 1 65 ALA H 1.800 . 5.000 4.941 4.861 5.016 0.016 4 0 "[ . 1 . 2]" 1
821 1 64 LEU HA 1 66 GLU H 1.800 . 5.000 4.586 4.290 5.002 0.002 4 0 "[ . 1 . 2]" 1
822 1 64 LEU HA 1 67 TYR H 1.800 . 4.500 3.688 3.381 4.453 . 0 0 "[ . 1 . 2]" 1
823 1 64 LEU HA 1 67 TYR QB 1.800 . 4.500 2.825 2.320 3.518 . 0 0 "[ . 1 . 2]" 1
824 1 64 LEU HA 1 68 TYR H 1.800 . 5.500 4.157 3.283 5.017 . 0 0 "[ . 1 . 2]" 1
825 1 65 ALA H 1 65 ALA MB 1.800 . 3.500 2.184 2.100 2.301 . 0 0 "[ . 1 . 2]" 1
826 1 65 ALA H 1 66 GLU H 1.800 . 4.000 2.672 2.293 2.934 . 0 0 "[ . 1 . 2]" 1
827 1 65 ALA HA 1 66 GLU H 1.800 . 5.000 3.549 3.531 3.581 . 0 0 "[ . 1 . 2]" 1
828 1 65 ALA MB 1 66 GLU H 1.800 . 4.500 2.565 2.165 2.720 . 0 0 "[ . 1 . 2]" 1
829 1 65 ALA H 1 67 TYR H 1.800 . 5.500 4.155 3.943 4.301 . 0 0 "[ . 1 . 2]" 1
830 1 65 ALA HA 1 67 TYR H 1.800 . 5.500 4.617 4.417 4.975 . 0 0 "[ . 1 . 2]" 1
831 1 65 ALA HA 1 68 TYR H 1.800 . 4.500 3.705 3.472 4.037 . 0 0 "[ . 1 . 2]" 1
832 1 65 ALA HA 1 68 TYR QB 1.800 . 4.500 2.962 2.540 3.999 . 0 0 "[ . 1 . 2]" 1
833 1 65 ALA HA 1 69 GLU H 1.800 . 6.000 4.784 3.854 5.796 . 0 0 "[ . 1 . 2]" 1
834 1 66 GLU H 1 66 GLU HB3 1.800 . 4.000 3.263 2.687 3.600 . 0 0 "[ . 1 . 2]" 1
835 1 66 GLU H 1 66 GLU HB2 1.800 . 4.000 2.286 2.138 2.486 . 0 0 "[ . 1 . 2]" 1
836 1 66 GLU H 1 66 GLU QB 1.800 . 3.500 2.231 2.092 2.443 . 0 0 "[ . 1 . 2]" 1
837 1 66 GLU H 1 67 TYR H 1.800 . 4.000 2.643 2.474 2.779 . 0 0 "[ . 1 . 2]" 1
838 1 66 GLU HA 1 67 TYR H 1.800 . 5.000 3.552 3.528 3.569 . 0 0 "[ . 1 . 2]" 1
839 1 66 GLU HB3 1 67 TYR H 1.800 . 5.000 3.076 2.458 3.600 . 0 0 "[ . 1 . 2]" 1
840 1 66 GLU HB2 1 67 TYR H 1.800 . 5.000 3.058 2.345 3.809 . 0 0 "[ . 1 . 2]" 1
841 1 66 GLU QB 1 67 TYR H 1.800 . 4.500 2.574 2.304 2.777 . 0 0 "[ . 1 . 2]" 1
842 1 66 GLU HA 1 68 TYR H 1.800 . 5.000 4.280 3.849 4.878 . 0 0 "[ . 1 . 2]" 1
843 1 66 GLU HA 1 69 GLU H 1.800 . 4.000 3.698 3.498 3.955 . 0 0 "[ . 1 . 2]" 1
844 1 66 GLU HA 1 69 GLU QB 1.800 . 4.500 3.537 2.621 4.267 . 0 0 "[ . 1 . 2]" 1
845 1 66 GLU HA 1 70 GLU H 1.800 . 5.500 4.201 3.875 4.740 . 0 0 "[ . 1 . 2]" 1
846 1 67 TYR H 1 68 TYR H 1.800 . 3.500 2.704 2.582 2.829 . 0 0 "[ . 1 . 2]" 1
847 1 67 TYR H 1 68 TYR QB 1.800 . 5.500 4.476 4.288 4.859 . 0 0 "[ . 1 . 2]" 1
848 1 67 TYR H 1 69 GLU H 1.800 . 5.500 4.381 4.098 4.831 . 0 0 "[ . 1 . 2]" 1
849 1 67 TYR HA 1 68 TYR H 1.800 . 4.000 3.528 3.478 3.575 . 0 0 "[ . 1 . 2]" 1
850 1 67 TYR HB3 1 68 TYR H 1.800 . 4.500 3.060 2.739 3.682 . 0 0 "[ . 1 . 2]" 1
851 1 67 TYR HB2 1 68 TYR H 1.800 . 4.500 3.434 2.474 3.965 . 0 0 "[ . 1 . 2]" 1
852 1 67 TYR HA 1 69 GLU H 1.800 . 5.500 4.323 3.999 4.886 . 0 0 "[ . 1 . 2]" 1
853 1 67 TYR HA 1 70 GLU H 1.800 . 5.000 3.246 3.022 3.640 . 0 0 "[ . 1 . 2]" 1
854 1 67 TYR HA 1 70 GLU QB 1.800 . 4.000 2.294 1.938 3.858 . 0 0 "[ . 1 . 2]" 1
855 1 68 TYR H 1 68 TYR HB3 1.800 . 4.000 3.167 2.655 3.603 . 0 0 "[ . 1 . 2]" 1
856 1 68 TYR H 1 68 TYR HB2 1.800 . 4.000 2.246 2.131 2.534 . 0 0 "[ . 1 . 2]" 1
857 1 68 TYR H 1 68 TYR QB 1.800 . 3.500 2.190 2.093 2.486 . 0 0 "[ . 1 . 2]" 1
858 1 68 TYR H 1 68 TYR QD 1.800 . 5.000 3.385 2.212 4.206 . 0 0 "[ . 1 . 2]" 1
859 1 68 TYR H 1 69 GLU H 1.800 . 3.500 2.748 2.658 2.906 . 0 0 "[ . 1 . 2]" 1
860 1 68 TYR HA 1 69 GLU H 1.800 . 4.500 3.539 3.511 3.577 . 0 0 "[ . 1 . 2]" 1
861 1 68 TYR HB3 1 69 GLU H 1.800 . 4.500 2.916 2.179 3.824 . 0 0 "[ . 1 . 2]" 1
862 1 68 TYR HB2 1 69 GLU H 1.800 . 4.500 3.281 2.637 3.827 . 0 0 "[ . 1 . 2]" 1
863 1 68 TYR QB 1 69 GLU H 1.800 . 4.000 2.604 2.157 2.804 . 0 0 "[ . 1 . 2]" 1
864 1 68 TYR QD 1 69 GLU H 1.800 . 6.000 4.241 3.498 4.613 . 0 0 "[ . 1 . 2]" 1
865 1 68 TYR H 1 70 GLU H 1.800 . 4.000 4.001 3.898 4.046 0.046 15 0 "[ . 1 . 2]" 1
866 1 68 TYR H 1 71 ALA MB 1.800 . 5.500 4.770 4.083 5.091 . 0 0 "[ . 1 . 2]" 1
867 1 68 TYR HA 1 70 GLU H 1.800 . 5.000 4.570 4.019 4.719 . 0 0 "[ . 1 . 2]" 1
868 1 68 TYR HA 1 71 ALA MB 1.800 . 4.000 3.325 2.289 3.762 . 0 0 "[ . 1 . 2]" 1
869 1 68 TYR HA 1 71 ALA H 1.800 . 4.000 3.971 3.663 4.061 0.061 17 0 "[ . 1 . 2]" 1
870 1 69 GLU H 1 69 GLU QB 1.800 . 3.500 2.340 2.127 2.671 . 0 0 "[ . 1 . 2]" 1
871 1 69 GLU H 1 69 GLU QG 1.800 . 4.500 3.281 2.039 4.084 . 0 0 "[ . 1 . 2]" 1
872 1 69 GLU H 1 70 GLU H 1.800 . 4.000 2.416 2.259 2.701 . 0 0 "[ . 1 . 2]" 1
873 1 69 GLU H 1 71 ALA MB 1.800 . 6.000 5.008 4.613 5.327 . 0 0 "[ . 1 . 2]" 1
874 1 69 GLU HA 1 70 GLU H 1.800 . 5.000 3.526 3.508 3.541 . 0 0 "[ . 1 . 2]" 1
875 1 69 GLU QB 1 70 GLU H 1.800 . 4.500 2.795 2.610 3.534 . 0 0 "[ . 1 . 2]" 1
876 1 69 GLU QG 1 70 GLU H 1.800 . 4.500 3.944 2.114 4.399 . 0 0 "[ . 1 . 2]" 1
877 1 70 GLU H 1 70 GLU QB 1.800 . 3.500 2.258 2.135 2.533 . 0 0 "[ . 1 . 2]" 1
878 1 70 GLU H 1 70 GLU QG 1.800 . 5.000 2.964 2.320 4.057 . 0 0 "[ . 1 . 2]" 1
879 1 70 GLU H 1 71 ALA H 1.800 . 4.500 2.684 2.566 3.114 . 0 0 "[ . 1 . 2]" 1
880 1 70 GLU H 1 71 ALA MB 1.800 . 5.500 4.316 3.665 4.486 . 0 0 "[ . 1 . 2]" 1
881 1 70 GLU HA 1 71 ALA H 1.800 . 4.500 3.459 2.575 3.574 . 0 0 "[ . 1 . 2]" 1
882 1 70 GLU QB 1 71 ALA H 1.800 . 4.000 2.817 2.410 3.924 . 0 0 "[ . 1 . 2]" 1
883 1 70 GLU QB 1 72 GLY H 1.800 . 6.000 5.556 4.689 6.023 0.023 17 0 "[ . 1 . 2]" 1
884 1 70 GLU QG 1 71 ALA H 1.800 . 5.500 4.335 4.130 4.587 . 0 0 "[ . 1 . 2]" 1
885 1 71 ALA H 1 71 ALA MB 1.800 . 3.500 2.246 2.102 2.519 . 0 0 "[ . 1 . 2]" 1
886 1 71 ALA H 1 73 ILE H 1.800 . 5.000 4.956 4.765 5.040 0.040 12 0 "[ . 1 . 2]" 1
887 1 71 ALA HA 1 72 GLY H 1.800 . 5.000 2.725 2.189 3.588 . 0 0 "[ . 1 . 2]" 1
888 1 71 ALA HA 1 73 ILE H 1.800 . 5.500 4.608 3.976 5.493 . 0 0 "[ . 1 . 2]" 1
889 1 71 ALA MB 1 72 GLY H 1.800 . 5.000 2.591 2.162 2.960 . 0 0 "[ . 1 . 2]" 1
890 1 71 ALA MB 1 73 ILE H 1.800 . 5.000 2.908 2.471 3.797 . 0 0 "[ . 1 . 2]" 1
891 1 71 ALA MB 1 73 ILE MD 1.800 . 4.500 4.099 1.846 4.514 0.014 4 0 "[ . 1 . 2]" 1
892 1 72 GLY H 1 72 GLY HA2 1.800 . 3.000 2.720 2.294 2.951 . 0 0 "[ . 1 . 2]" 1
893 1 72 GLY H 1 73 ILE H 1.800 . 4.000 2.942 2.330 3.901 . 0 0 "[ . 1 . 2]" 1
894 1 72 GLY H 1 73 ILE HA 1.800 . 5.500 4.836 4.555 5.327 . 0 0 "[ . 1 . 2]" 1
895 1 72 GLY HA3 1 73 ILE H 1.800 . 4.500 3.543 3.498 3.574 . 0 0 "[ . 1 . 2]" 1
896 1 72 GLY HA2 1 73 ILE H 1.800 . 4.500 2.775 2.379 3.014 . 0 0 "[ . 1 . 2]" 1
897 1 72 GLY QA 1 73 ILE H 1.800 . 4.000 2.675 2.344 2.847 . 0 0 "[ . 1 . 2]" 1
898 1 72 GLY H 1 73 ILE MD 1.800 . 6.000 5.798 3.359 6.041 0.041 4 0 "[ . 1 . 2]" 1
899 1 73 ILE H 1 73 ILE QG 1.800 . 5.000 3.480 1.974 4.099 . 0 0 "[ . 1 . 2]" 1
900 1 73 ILE H 1 73 ILE MG 1.800 . 4.500 2.202 2.000 2.974 . 0 0 "[ . 1 . 2]" 1
901 1 73 ILE H 1 74 HIS H 1.800 . 5.500 3.675 2.345 4.646 . 0 0 "[ . 1 . 2]" 1
902 1 73 ILE HA 1 73 ILE QG 1.800 . 5.000 2.775 2.265 3.474 . 0 0 "[ . 1 . 2]" 1
903 1 73 ILE HA 1 73 ILE MG 1.800 . 4.000 2.944 2.183 3.222 . 0 0 "[ . 1 . 2]" 1
904 1 73 ILE HA 1 73 ILE MD 1.800 . 4.500 3.209 2.059 4.193 . 0 0 "[ . 1 . 2]" 1
905 1 73 ILE HA 1 74 HIS H 1.800 . 3.500 2.843 2.167 3.524 0.024 18 0 "[ . 1 . 2]" 1
906 1 73 ILE HB 1 74 HIS H 1.800 . 4.000 3.705 2.099 4.052 0.052 16 0 "[ . 1 . 2]" 1
907 1 73 ILE QG 1 74 HIS H 1.800 . 6.000 3.107 1.979 4.449 . 0 0 "[ . 1 . 2]" 1
908 1 73 ILE QG 1 74 HIS HA 1.800 . 5.000 4.057 3.334 4.912 . 0 0 "[ . 1 . 2]" 1
909 1 73 ILE MG 1 74 HIS H 1.800 . 4.500 3.184 2.025 4.072 . 0 0 "[ . 1 . 2]" 1
910 1 74 HIS H 1 75 PRO QD 1.800 . 6.000 3.436 2.016 4.429 . 0 0 "[ . 1 . 2]" 1
911 1 74 HIS HA 1 75 PRO QD 1.800 . 4.000 2.339 1.924 3.552 . 0 0 "[ . 1 . 2]" 1
912 1 76 PRO HA 1 77 GLU H 1.800 . 4.000 2.716 2.154 3.583 . 0 0 "[ . 1 . 2]" 1
913 1 76 PRO HB3 1 77 GLU H 1.800 . 5.500 3.708 2.650 4.513 . 0 0 "[ . 1 . 2]" 1
914 1 76 PRO HB2 1 77 GLU H 1.800 . 5.500 3.065 2.084 4.208 . 0 0 "[ . 1 . 2]" 1
915 1 77 GLU HA 1 78 PRO QD 1.800 . 3.500 2.190 1.904 3.536 0.036 13 0 "[ . 1 . 2]" 1
916 1 78 PRO HA 1 79 ILE H 1.800 . 3.000 2.349 2.158 2.661 . 0 0 "[ . 1 . 2]" 1
917 1 78 PRO HB3 1 79 ILE H 1.800 . 5.500 3.849 2.756 4.668 . 0 0 "[ . 1 . 2]" 1
918 1 78 PRO HB2 1 79 ILE H 1.800 . 5.500 3.686 2.277 4.369 . 0 0 "[ . 1 . 2]" 1
919 1 78 PRO QB 1 79 ILE H 1.800 . 5.000 3.299 2.239 4.010 . 0 0 "[ . 1 . 2]" 1
920 1 79 ILE H 1 79 ILE HB 1.800 . 4.000 3.449 2.551 3.911 . 0 0 "[ . 1 . 2]" 1
921 1 79 ILE H 1 79 ILE HG13 1.800 . 5.000 2.912 2.074 4.625 . 0 0 "[ . 1 . 2]" 1
922 1 79 ILE H 1 79 ILE HG12 1.800 . 5.000 3.393 2.163 4.568 . 0 0 "[ . 1 . 2]" 1
923 1 79 ILE H 1 79 ILE QG 1.800 . 4.500 2.612 2.041 4.082 . 0 0 "[ . 1 . 2]" 1
924 1 79 ILE H 1 79 ILE MG 1.800 . 5.000 3.277 1.977 4.006 . 0 0 "[ . 1 . 2]" 1
925 1 79 ILE HA 1 80 ALA H 1.800 . 3.500 2.765 2.149 3.555 0.055 7 0 "[ . 1 . 2]" 1
926 1 79 ILE HB 1 80 ALA H 1.800 . 5.500 3.989 2.605 4.443 . 0 0 "[ . 1 . 2]" 1
927 1 79 ILE MG 1 80 ALA H 1.800 . 5.500 3.686 2.057 4.428 . 0 0 "[ . 1 . 2]" 1
928 1 80 ALA H 1 80 ALA MB 1.800 . 4.500 2.610 2.111 2.903 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 114
_Distance_constraint_stats_list.Viol_total 69.347
_Distance_constraint_stats_list.Viol_max 0.062
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0173
_Distance_constraint_stats_list.Viol_average_violations_only 0.0304
_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 26 CYS 1.934 0.062 10 0 "[ . 1 . 2]"
1 28 CYS 1.452 0.055 11 0 "[ . 1 . 2]"
1 48 CYS 1.913 0.058 13 0 "[ . 1 . 2]"
1 51 CYS 1.635 0.062 10 0 "[ . 1 . 2]"
2 1 ZN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 CYS SG 2 1 ZN ZN 2.300 2.300 2.600 2.404 2.394 2.413 . 0 0 "[ . 1 . 2]" 2
2 1 28 CYS SG 2 1 ZN ZN 2.300 2.300 2.600 2.408 2.390 2.417 . 0 0 "[ . 1 . 2]" 2
3 1 48 CYS SG 2 1 ZN ZN 2.300 2.300 2.600 2.399 2.393 2.409 . 0 0 "[ . 1 . 2]" 2
4 1 51 CYS SG 2 1 ZN ZN 2.300 2.300 2.600 2.411 2.405 2.417 . 0 0 "[ . 1 . 2]" 2
5 1 26 CYS SG 1 28 CYS SG 3.600 3.600 3.900 3.902 3.849 3.919 0.019 16 0 "[ . 1 . 2]" 2
6 1 26 CYS SG 1 48 CYS SG 3.600 3.600 3.900 3.943 3.930 3.958 0.058 13 0 "[ . 1 . 2]" 2
7 1 26 CYS SG 1 51 CYS SG 3.600 3.600 3.900 3.947 3.928 3.962 0.062 10 0 "[ . 1 . 2]" 2
8 1 28 CYS SG 1 48 CYS SG 3.600 3.600 3.900 3.942 3.933 3.955 0.055 11 0 "[ . 1 . 2]" 2
9 1 28 CYS SG 1 51 CYS SG 3.600 3.600 3.900 3.924 3.909 3.934 0.034 7 0 "[ . 1 . 2]" 2
10 1 48 CYS SG 1 51 CYS SG 3.600 3.600 3.900 3.909 3.875 3.926 0.026 5 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 95
_Distance_constraint_stats_list.Viol_total 33.892
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0178
_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 6 ASP 0.009 0.009 17 0 "[ . 1 . 2]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.060 0.060 20 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 MET 0.060 0.060 20 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.021 0.015 11 0 "[ . 1 . 2]"
1 20 GLN 0.042 0.024 13 0 "[ . 1 . 2]"
1 21 MET 0.021 0.015 11 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.000 0.000 7 0 "[ . 1 . 2]"
1 26 CYS 0.610 0.042 9 0 "[ . 1 . 2]"
1 28 CYS 0.686 0.042 9 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.075 0.018 20 0 "[ . 1 . 2]"
1 32 PHE 0.000 0.000 7 0 "[ . 1 . 2]"
1 34 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 0.036 0.023 4 0 "[ . 1 . 2]"
1 36 LEU 0.042 0.024 13 0 "[ . 1 . 2]"
1 39 MET 0.036 0.023 4 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 CYS 0.526 0.034 7 0 "[ . 1 . 2]"
1 50 SER 0.024 0.018 13 0 "[ . 1 . 2]"
1 51 CYS 0.816 0.034 7 0 "[ . 1 . 2]"
1 53 LEU 0.315 0.030 20 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 0.009 0.009 17 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ILE H 1 56 ASP O 2.000 . 2.700 2.384 1.876 2.676 . 0 0 "[ . 1 . 2]" 3
2 1 8 ILE N 1 56 ASP O 3.000 2.400 3.700 3.158 2.741 3.519 . 0 0 "[ . 1 . 2]" 3
3 1 10 ILE H 1 58 VAL O 2.000 . 2.700 2.225 1.903 2.604 . 0 0 "[ . 1 . 2]" 3
4 1 10 ILE N 1 58 VAL O 3.000 2.400 3.700 2.992 2.703 3.554 . 0 0 "[ . 1 . 2]" 3
5 1 9 GLU O 1 12 ASP H 2.000 . 2.700 2.262 2.093 2.673 . 0 0 "[ . 1 . 2]" 3
6 1 9 GLU O 1 12 ASP N 3.000 2.400 3.700 3.033 2.940 3.353 . 0 0 "[ . 1 . 2]" 3
7 1 11 GLU O 1 13 MET H 2.000 . 2.700 2.642 2.585 2.760 0.060 20 0 "[ . 1 . 2]" 3
8 1 11 GLU O 1 13 MET N 3.000 2.400 3.700 3.344 2.881 3.409 . 0 0 "[ . 1 . 2]" 3
9 1 14 THR H 1 23 THR O 2.000 . 2.700 2.243 1.872 2.622 . 0 0 "[ . 1 . 2]" 3
10 1 14 THR N 1 23 THR O 3.000 2.400 3.700 2.966 2.649 3.325 . 0 0 "[ . 1 . 2]" 3
11 1 16 GLU H 1 21 MET O 2.000 . 2.700 1.940 1.702 2.437 . 0 0 "[ . 1 . 2]" 3
12 1 16 GLU N 1 21 MET O 3.000 2.400 3.700 2.775 2.619 3.154 . 0 0 "[ . 1 . 2]" 3
13 1 16 GLU O 1 21 MET H 2.000 . 2.700 2.471 1.983 2.715 0.015 11 0 "[ . 1 . 2]" 3
14 1 16 GLU O 1 21 MET N 3.000 2.400 3.700 3.401 2.911 3.694 . 0 0 "[ . 1 . 2]" 3
15 1 22 PHE H 1 34 ILE O 2.000 . 2.700 1.990 1.693 2.342 . 0 0 "[ . 1 . 2]" 3
16 1 22 PHE N 1 34 ILE O 3.000 2.400 3.700 2.898 2.595 3.200 . 0 0 "[ . 1 . 2]" 3
17 1 14 THR O 1 23 THR H 2.000 . 2.700 2.101 1.718 2.499 . 0 0 "[ . 1 . 2]" 3
18 1 14 THR O 1 23 THR N 3.000 2.400 3.700 2.945 2.654 3.259 . 0 0 "[ . 1 . 2]" 3
19 1 24 TYR H 1 32 PHE O 2.000 . 2.700 2.437 1.923 2.700 0.000 7 0 "[ . 1 . 2]" 3
20 1 24 TYR N 1 32 PHE O 3.000 2.400 3.700 3.246 2.670 3.571 . 0 0 "[ . 1 . 2]" 3
21 1 26 CYS SG 1 28 CYS H 2.000 . 2.700 2.729 2.717 2.742 0.042 9 0 "[ . 1 . 2]" 3
22 1 26 CYS SG 1 28 CYS N 3.000 2.400 3.700 3.699 3.686 3.707 0.007 9 0 "[ . 1 . 2]" 3
23 1 26 CYS O 1 29 GLY H 2.000 . 2.700 2.095 1.854 2.277 . 0 0 "[ . 1 . 2]" 3
24 1 26 CYS O 1 29 GLY N 3.000 2.400 3.700 2.905 2.783 3.159 . 0 0 "[ . 1 . 2]" 3
25 1 28 CYS SG 1 30 ASP H 2.000 . 2.700 2.649 2.531 2.718 0.018 20 0 "[ . 1 . 2]" 3
26 1 28 CYS SG 1 30 ASP N 3.000 2.400 3.700 3.525 3.365 3.616 . 0 0 "[ . 1 . 2]" 3
27 1 24 TYR O 1 32 PHE H 2.000 . 2.700 1.855 1.701 2.498 . 0 0 "[ . 1 . 2]" 3
28 1 24 TYR O 1 32 PHE N 3.000 2.400 3.700 2.729 2.612 3.158 . 0 0 "[ . 1 . 2]" 3
29 1 22 PHE O 1 34 ILE H 2.000 . 2.700 2.202 1.802 2.684 . 0 0 "[ . 1 . 2]" 3
30 1 22 PHE O 1 34 ILE N 3.000 2.400 3.700 3.052 2.725 3.458 . 0 0 "[ . 1 . 2]" 3
31 1 20 GLN O 1 36 LEU H 2.000 . 2.700 2.560 2.338 2.724 0.024 13 0 "[ . 1 . 2]" 3
32 1 20 GLN O 1 36 LEU N 3.000 2.400 3.700 3.509 3.243 3.669 . 0 0 "[ . 1 . 2]" 3
33 1 35 TYR O 1 39 MET H 2.000 . 2.400 2.263 1.908 2.402 0.002 4 0 "[ . 1 . 2]" 3
34 1 35 TYR O 1 39 MET N 3.000 2.400 3.300 3.211 2.886 3.323 0.023 4 0 "[ . 1 . 2]" 3
35 1 46 ALA H 1 55 ILE O 2.000 . 2.700 2.563 2.265 2.680 . 0 0 "[ . 1 . 2]" 3
36 1 46 ALA N 1 55 ILE O 3.000 2.400 3.700 3.347 2.948 3.629 . 0 0 "[ . 1 . 2]" 3
37 1 48 CYS H 1 53 LEU O 2.000 . 2.700 2.596 2.314 2.692 . 0 0 "[ . 1 . 2]" 3
38 1 48 CYS N 1 53 LEU O 3.000 2.400 3.700 3.535 3.216 3.648 . 0 0 "[ . 1 . 2]" 3
39 1 48 CYS SG 1 50 SER H 2.000 . 2.700 2.653 2.628 2.718 0.018 13 0 "[ . 1 . 2]" 3
40 1 48 CYS SG 1 50 SER N 3.000 2.400 3.700 3.443 3.402 3.522 . 0 0 "[ . 1 . 2]" 3
41 1 48 CYS SG 1 51 CYS H 2.000 . 2.700 2.724 2.711 2.734 0.034 7 0 "[ . 1 . 2]" 3
42 1 48 CYS SG 1 51 CYS N 3.000 2.400 3.700 3.696 3.684 3.707 0.007 7 0 "[ . 1 . 2]" 3
43 1 51 CYS SG 1 53 LEU H 2.000 . 2.700 2.715 2.682 2.730 0.030 20 0 "[ . 1 . 2]" 3
44 1 51 CYS SG 1 53 LEU N 3.000 2.400 3.700 3.409 3.391 3.448 . 0 0 "[ . 1 . 2]" 3
45 1 46 ALA O 1 55 ILE H 2.000 . 2.700 2.523 1.903 2.699 . 0 0 "[ . 1 . 2]" 3
46 1 46 ALA O 1 55 ILE N 3.000 2.400 3.700 3.459 2.825 3.660 . 0 0 "[ . 1 . 2]" 3
47 1 6 ASP O 1 56 ASP H 2.000 . 2.700 2.275 1.788 2.709 0.009 17 0 "[ . 1 . 2]" 3
48 1 6 ASP O 1 56 ASP N 3.000 2.400 3.700 3.222 2.755 3.625 . 0 0 "[ . 1 . 2]" 3
49 1 44 LYS O 1 57 VAL H 2.000 . 2.700 2.190 1.830 2.618 . 0 0 "[ . 1 . 2]" 3
50 1 44 LYS O 1 57 VAL N 3.000 2.400 3.700 3.040 2.618 3.330 . 0 0 "[ . 1 . 2]" 3
51 1 8 ILE O 1 58 VAL H 2.000 . 2.700 1.985 1.695 2.463 . 0 0 "[ . 1 . 2]" 3
52 1 8 ILE O 1 58 VAL N 3.000 2.400 3.700 2.880 2.635 3.325 . 0 0 "[ . 1 . 2]" 3
53 1 66 GLU O 1 70 GLU H 2.000 . 2.400 1.969 1.672 2.310 . 0 0 "[ . 1 . 2]" 3
54 1 66 GLU O 1 70 GLU N 3.000 2.400 3.300 2.877 2.604 3.198 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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