NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579604 |
2mnz   |
19914 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mnz
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 1038
_Distance_constraint_stats_list.Viol_count 2966
_Distance_constraint_stats_list.Viol_total 4496.004
_Distance_constraint_stats_list.Viol_max 0.303
_Distance_constraint_stats_list.Viol_rms 0.0339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0758
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 2.260 0.115 15 0 "[ . 1 . 2]"
1 2 VAL 4.762 0.237 17 0 "[ . 1 . 2]"
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 2.586 0.197 17 0 "[ . 1 . 2]"
1 5 TYR 7.117 0.250 6 0 "[ . 1 . 2]"
1 6 VAL 0.824 0.125 12 0 "[ . 1 . 2]"
1 7 CYS 11.868 0.224 6 0 "[ . 1 . 2]"
1 8 LEU 6.110 0.213 3 0 "[ . 1 . 2]"
1 9 LEU 16.075 0.279 6 0 "[ . 1 . 2]"
1 10 CYS 4.630 0.089 18 0 "[ . 1 . 2]"
1 11 GLY 4.616 0.102 16 0 "[ . 1 . 2]"
1 12 SER 3.609 0.130 17 0 "[ . 1 . 2]"
1 13 GLY 0.531 0.125 12 0 "[ . 1 . 2]"
1 14 ASN 5.213 0.135 6 0 "[ . 1 . 2]"
1 15 ASP 2.844 0.134 5 0 "[ . 1 . 2]"
1 16 GLU 2.549 0.303 2 0 "[ . 1 . 2]"
1 17 ASP 0.521 0.064 12 0 "[ . 1 . 2]"
1 18 ARG 7.659 0.303 2 0 "[ . 1 . 2]"
1 19 LEU 18.812 0.290 20 0 "[ . 1 . 2]"
1 20 LEU 17.495 0.198 12 0 "[ . 1 . 2]"
1 21 LEU 2.538 0.226 11 0 "[ . 1 . 2]"
1 22 CYS 5.305 0.155 3 0 "[ . 1 . 2]"
1 23 ASP 9.592 0.191 9 0 "[ . 1 . 2]"
1 24 GLY 1.868 0.134 20 0 "[ . 1 . 2]"
1 25 CYS 6.262 0.157 20 0 "[ . 1 . 2]"
1 26 ASP 5.461 0.162 3 0 "[ . 1 . 2]"
1 27 ASP 8.150 0.198 12 0 "[ . 1 . 2]"
1 28 SER 7.889 0.213 3 0 "[ . 1 . 2]"
1 29 TYR 14.269 0.290 20 0 "[ . 1 . 2]"
1 30 HIS 26.297 0.237 12 0 "[ . 1 . 2]"
1 31 THR 3.105 0.100 18 0 "[ . 1 . 2]"
1 32 PHE 8.630 0.131 6 0 "[ . 1 . 2]"
1 33 CYS 13.166 0.212 2 0 "[ . 1 . 2]"
1 34 LEU 21.701 0.234 15 0 "[ . 1 . 2]"
1 35 ILE 9.247 0.168 17 0 "[ . 1 . 2]"
1 36 PRO 0.639 0.153 10 0 "[ . 1 . 2]"
1 37 PRO 5.763 0.133 8 0 "[ . 1 . 2]"
1 38 LEU 14.633 0.234 15 0 "[ . 1 . 2]"
1 39 HIS 1.663 0.059 6 0 "[ . 1 . 2]"
1 40 ASP 7.200 0.170 7 0 "[ . 1 . 2]"
1 41 VAL 4.731 0.170 7 0 "[ . 1 . 2]"
1 42 PRO 0.329 0.032 7 0 "[ . 1 . 2]"
1 43 LYS 2.174 0.110 17 0 "[ . 1 . 2]"
1 44 GLY 1.552 0.081 6 0 "[ . 1 . 2]"
1 45 ASP 1.889 0.092 7 0 "[ . 1 . 2]"
1 46 TRP 5.200 0.188 3 0 "[ . 1 . 2]"
1 47 ARG 5.848 0.191 9 0 "[ . 1 . 2]"
1 48 CYS 8.342 0.164 1 0 "[ . 1 . 2]"
1 49 PRO 3.989 0.111 16 0 "[ . 1 . 2]"
1 50 LYS 4.445 0.122 17 0 "[ . 1 . 2]"
1 51 CYS 2.236 0.072 9 0 "[ . 1 . 2]"
1 52 LEU 5.791 0.280 1 0 "[ . 1 . 2]"
1 53 ALA 2.510 0.169 4 0 "[ . 1 . 2]"
1 54 GLN 13.012 0.280 1 0 "[ . 1 . 2]"
1 55 GLU 4.810 0.219 2 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 H 1 2 VAL HB 1.800 . 3.500 3.489 2.439 3.611 0.111 8 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 2 VAL MG1 1.800 . 3.500 2.303 1.904 3.737 0.237 17 0 "[ . 1 . 2]" 1
3 1 2 VAL H 1 2 VAL MG2 1.800 . 5.000 1.998 1.812 2.165 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA HA 1 2 VAL H 1.800 . 2.900 2.205 2.201 2.208 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 2 VAL H 1.800 . 2.900 3.013 3.012 3.015 0.115 15 0 "[ . 1 . 2]" 1
6 1 2 VAL HB 1 3 ASP H 1.800 . 5.000 3.758 2.595 4.027 . 0 0 "[ . 1 . 2]" 1
7 1 2 VAL H 1 5 TYR QE 1.800 . 6.000 5.502 4.928 6.052 0.052 4 0 "[ . 1 . 2]" 1
8 1 2 VAL HB 1 5 TYR QD 1.800 . 6.000 4.922 4.043 5.960 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU H 1 4 LEU HB3 1.800 . 3.500 2.644 2.539 2.688 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU H 1 4 LEU HB2 1.800 . 3.500 2.448 2.400 2.541 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HA 1 4 LEU QD 1.800 . 3.500 2.101 2.052 2.120 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU QD 1 4 LEU HG 1.800 . 2.900 1.891 1.881 1.909 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU QD 1.800 . 3.500 3.586 3.562 3.647 0.147 17 0 "[ . 1 . 2]" 1
14 1 5 TYR H 1 5 TYR HA 1.800 . 2.900 2.869 2.831 2.916 0.016 7 0 "[ . 1 . 2]" 1
15 1 5 TYR H 1 5 TYR QB 1.800 . 3.500 2.754 2.146 3.001 . 0 0 "[ . 1 . 2]" 1
16 1 5 TYR HA 1 5 TYR QD 1.800 . 3.500 3.031 2.266 3.680 0.180 12 0 "[ . 1 . 2]" 1
17 1 5 TYR HA 1 6 VAL QG 1.800 . 5.000 3.215 3.104 3.333 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HG 1 5 TYR HB3 1.800 . 6.000 5.647 4.815 6.197 0.197 17 0 "[ . 1 . 2]" 1
19 1 4 LEU HG 1 5 TYR HB2 1.800 . 7.000 6.067 5.637 6.406 . 0 0 "[ . 1 . 2]" 1
20 1 5 TYR QB 1 19 LEU QD 1.800 . 6.000 3.770 3.141 4.985 . 0 0 "[ . 1 . 2]" 1
21 1 5 TYR QD 1 19 LEU MD2 1.800 . 6.000 4.862 3.612 6.250 0.250 6 0 "[ . 1 . 2]" 1
22 1 5 TYR QE 1 19 LEU MD1 1.800 . 6.300 6.382 5.913 6.467 0.167 4 0 "[ . 1 . 2]" 1
23 1 5 TYR QE 1 21 LEU MD1 1.800 . 3.500 2.434 2.121 2.953 . 0 0 "[ . 1 . 2]" 1
24 1 5 TYR QE 1 21 LEU MD2 1.800 . 6.000 4.000 2.081 5.022 . 0 0 "[ . 1 . 2]" 1
25 1 5 TYR QE 1 21 LEU HG 1.800 . 5.000 4.785 3.937 5.173 0.173 6 0 "[ . 1 . 2]" 1
26 1 6 VAL HA 1 6 VAL HB 1.800 . 2.900 2.537 2.506 2.583 . 0 0 "[ . 1 . 2]" 1
27 1 6 VAL HA 1 6 VAL QG 1.800 . 2.900 2.217 2.158 2.273 . 0 0 "[ . 1 . 2]" 1
28 1 6 VAL H 1 6 VAL MG1 1.800 . 3.500 3.016 2.968 3.080 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL H 1 6 VAL MG2 1.800 . 3.500 2.039 1.898 2.103 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU QB 1 6 VAL H 1.800 . 6.000 5.807 5.606 5.968 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR HA 1 6 VAL H 1.800 . 2.900 2.164 2.144 2.193 . 0 0 "[ . 1 . 2]" 1
32 1 5 TYR QB 1 6 VAL H 1.800 . 3.500 3.171 2.879 3.437 . 0 0 "[ . 1 . 2]" 1
33 1 6 VAL H 1 13 GLY H 1.800 . 6.300 6.269 6.075 6.425 0.125 12 0 "[ . 1 . 2]" 1
34 1 5 TYR H 1 6 VAL HA 1.800 . 6.000 5.502 5.392 5.593 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL HA 1 7 CYS QB 1.800 . 6.000 4.367 4.246 4.488 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL HA 1 13 GLY H 1.800 . 5.000 4.212 3.706 4.645 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL HA 1 13 GLY QA 1.800 . 3.500 2.324 2.162 2.838 . 0 0 "[ . 1 . 2]" 1
38 1 6 VAL HA 1 19 LEU QD 1.800 . 6.000 2.375 2.039 2.901 . 0 0 "[ . 1 . 2]" 1
39 1 5 TYR HA 1 6 VAL HB 1.800 . 6.000 5.672 5.593 5.768 . 0 0 "[ . 1 . 2]" 1
40 1 6 VAL HB 1 7 CYS H 1.800 . 3.500 2.532 2.322 2.769 . 0 0 "[ . 1 . 2]" 1
41 1 6 VAL HB 1 12 SER HA 1.800 . 6.000 4.154 3.869 4.433 . 0 0 "[ . 1 . 2]" 1
42 1 6 VAL HB 1 13 GLY QA 1.800 . 5.000 2.512 2.249 2.978 . 0 0 "[ . 1 . 2]" 1
43 1 5 TYR H 1 6 VAL QG 1.800 . 5.000 4.294 4.128 4.633 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL QG 1 7 CYS H 1.800 . 3.500 3.256 3.163 3.359 . 0 0 "[ . 1 . 2]" 1
45 1 6 VAL QG 1 8 LEU H 1.800 . 6.000 4.495 4.366 4.718 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL QG 1 11 GLY QA 1.800 . 3.500 1.983 1.973 1.992 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL QG 1 12 SER HA 1.800 . 5.000 3.637 3.397 3.741 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL QG 1 13 GLY H 1.800 . 3.500 3.463 3.305 3.545 0.045 6 0 "[ . 1 . 2]" 1
49 1 6 VAL QG 1 13 GLY QA 1.800 . 3.500 2.312 2.116 2.781 . 0 0 "[ . 1 . 2]" 1
50 1 7 CYS H 1 7 CYS HA 1.800 . 2.900 2.783 2.749 2.794 . 0 0 "[ . 1 . 2]" 1
51 1 7 CYS H 1 7 CYS HB3 1.800 . 2.900 2.404 2.346 2.463 . 0 0 "[ . 1 . 2]" 1
52 1 7 CYS H 1 7 CYS HB2 1.800 . 2.900 2.679 2.646 2.731 . 0 0 "[ . 1 . 2]" 1
53 1 5 TYR HA 1 7 CYS H 1.800 . 6.300 6.400 6.319 6.457 0.157 12 0 "[ . 1 . 2]" 1
54 1 6 VAL HA 1 7 CYS H 1.800 . 2.900 2.463 2.346 2.585 . 0 0 "[ . 1 . 2]" 1
55 1 7 CYS H 1 8 LEU QB 1.800 . 6.000 6.071 6.007 6.143 0.143 16 0 "[ . 1 . 2]" 1
56 1 7 CYS H 1 9 LEU H 1.800 . 6.000 5.824 5.786 5.886 . 0 0 "[ . 1 . 2]" 1
57 1 7 CYS H 1 10 CYS H 1.800 . 5.000 4.989 4.915 5.067 0.067 12 0 "[ . 1 . 2]" 1
58 1 7 CYS H 1 11 GLY H 1.800 . 3.500 3.557 3.460 3.602 0.102 16 0 "[ . 1 . 2]" 1
59 1 7 CYS H 1 12 SER HA 1.800 . 6.000 5.774 5.614 5.927 . 0 0 "[ . 1 . 2]" 1
60 1 7 CYS H 1 13 GLY H 1.800 . 6.000 2.691 2.569 2.869 . 0 0 "[ . 1 . 2]" 1
61 1 7 CYS H 1 19 LEU HG 1.800 . 6.000 3.830 3.301 5.009 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS H 1 19 LEU QD 1.800 . 2.900 1.905 1.764 2.175 0.036 1 0 "[ . 1 . 2]" 1
63 1 7 CYS H 1 29 TYR H 1.800 . 6.000 5.410 5.314 5.607 . 0 0 "[ . 1 . 2]" 1
64 1 7 CYS H 1 29 TYR HA 1.800 . 6.000 4.932 4.861 5.137 . 0 0 "[ . 1 . 2]" 1
65 1 7 CYS H 1 30 HIS H 1.800 . 6.000 6.094 6.068 6.193 0.193 12 0 "[ . 1 . 2]" 1
66 1 7 CYS HA 1 8 LEU QB 1.800 . 5.000 4.050 3.998 4.097 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS HA 1 19 LEU MD1 1.800 . 5.000 3.251 2.406 3.852 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS HA 1 19 LEU MD2 1.800 . 6.000 3.457 2.519 4.211 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS HA 1 29 TYR HA 1.800 . 3.500 2.446 2.309 2.666 . 0 0 "[ . 1 . 2]" 1
70 1 6 VAL HB 1 7 CYS QB 1.800 . 5.000 3.877 3.749 4.033 . 0 0 "[ . 1 . 2]" 1
71 1 7 CYS QB 1 8 LEU H 1.800 . 5.000 3.896 3.840 3.911 . 0 0 "[ . 1 . 2]" 1
72 1 7 CYS QB 1 9 LEU HA 1.800 . 6.000 5.971 5.928 6.007 0.007 6 0 "[ . 1 . 2]" 1
73 1 7 CYS HB3 1 19 LEU MD1 1.800 . 5.000 4.051 3.068 5.224 0.224 6 0 "[ . 1 . 2]" 1
74 1 7 CYS HB2 1 19 LEU MD1 1.800 . 5.000 3.192 1.988 4.118 . 0 0 "[ . 1 . 2]" 1
75 1 7 CYS QB 1 19 LEU MD2 1.800 . 5.000 3.292 1.992 4.062 . 0 0 "[ . 1 . 2]" 1
76 1 7 CYS HB3 1 30 HIS HE1 1.800 . 2.900 2.524 2.243 2.606 . 0 0 "[ . 1 . 2]" 1
77 1 7 CYS HB2 1 30 HIS HE1 1.800 . 2.900 2.990 2.814 3.034 0.134 5 0 "[ . 1 . 2]" 1
78 1 8 LEU H 1 8 LEU HA 1.800 . 2.900 2.803 2.790 2.810 . 0 0 "[ . 1 . 2]" 1
79 1 8 LEU H 1 8 LEU QB 1.800 . 2.900 2.068 2.019 2.149 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU HA 1 8 LEU QD 1.800 . 2.900 2.179 1.897 2.289 . 0 0 "[ . 1 . 2]" 1
81 1 8 LEU QB 1 8 LEU QD 1.800 . 2.900 1.914 1.873 2.044 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU H 1 8 LEU QD 1.800 . 3.500 2.726 2.201 3.488 . 0 0 "[ . 1 . 2]" 1
83 1 6 VAL H 1 8 LEU H 1.800 . 6.000 5.261 5.162 5.479 . 0 0 "[ . 1 . 2]" 1
84 1 7 CYS HA 1 8 LEU H 1.800 . 5.000 2.163 2.141 2.182 . 0 0 "[ . 1 . 2]" 1
85 1 7 CYS HB3 1 8 LEU H 1.800 . 5.000 4.437 4.378 4.457 . 0 0 "[ . 1 . 2]" 1
86 1 7 CYS HB2 1 8 LEU H 1.800 . 5.000 4.315 4.250 4.350 . 0 0 "[ . 1 . 2]" 1
87 1 7 CYS H 1 8 LEU H 1.800 . 5.000 4.418 4.394 4.446 . 0 0 "[ . 1 . 2]" 1
88 1 8 LEU H 1 9 LEU QB 1.800 . 5.000 4.942 4.901 4.986 . 0 0 "[ . 1 . 2]" 1
89 1 8 LEU H 1 10 CYS H 1.800 . 5.000 4.403 4.371 4.442 . 0 0 "[ . 1 . 2]" 1
90 1 8 LEU H 1 11 GLY H 1.800 . 6.000 5.042 4.985 5.173 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU H 1 19 LEU QD 1.800 . 5.000 4.279 3.896 4.549 . 0 0 "[ . 1 . 2]" 1
92 1 8 LEU H 1 29 TYR HA 1.800 . 3.500 3.272 3.024 3.510 0.010 12 0 "[ . 1 . 2]" 1
93 1 8 LEU H 1 29 TYR QB 1.800 . 5.000 4.854 4.631 5.014 0.014 16 0 "[ . 1 . 2]" 1
94 1 8 LEU H 1 29 TYR QD 1.800 . 5.000 4.070 3.893 4.200 . 0 0 "[ . 1 . 2]" 1
95 1 8 LEU H 1 30 HIS H 1.800 . 6.000 5.435 5.222 5.709 . 0 0 "[ . 1 . 2]" 1
96 1 8 LEU HA 1 9 LEU QB 1.800 . 6.000 5.512 5.504 5.527 . 0 0 "[ . 1 . 2]" 1
97 1 8 LEU QB 1 29 TYR QD 1.800 . 5.000 3.874 3.632 4.026 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU QB 1 29 TYR QE 1.800 . 3.500 2.973 2.700 3.230 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU QD 1 27 ASP HA 1.800 . 5.000 4.662 4.265 5.028 0.028 6 0 "[ . 1 . 2]" 1
100 1 8 LEU QD 1 27 ASP HB3 1.800 . 3.500 3.278 2.056 3.580 0.080 18 0 "[ . 1 . 2]" 1
101 1 8 LEU QD 1 27 ASP HB2 1.800 . 2.900 2.543 2.129 2.962 0.062 20 0 "[ . 1 . 2]" 1
102 1 8 LEU QD 1 28 SER H 1.800 . 3.500 2.723 1.772 3.255 0.028 20 0 "[ . 1 . 2]" 1
103 1 8 LEU H 1 29 TYR QE 1.800 . 6.000 4.191 4.085 4.412 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU H 1 9 LEU HA 1.800 . 2.900 2.868 2.866 2.873 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU H 1 9 LEU HB3 1.800 . 3.500 3.603 3.599 3.606 0.106 3 0 "[ . 1 . 2]" 1
106 1 9 LEU H 1 9 LEU HB2 1.800 . 3.500 2.569 2.560 2.587 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU H 1 9 LEU MD1 1.800 . 3.500 3.581 3.552 3.600 0.100 4 0 "[ . 1 . 2]" 1
108 1 9 LEU H 1 9 LEU MD2 1.800 . 2.900 2.924 2.917 2.936 0.036 12 0 "[ . 1 . 2]" 1
109 1 9 LEU HB3 1 9 LEU MD2 1.800 . 2.900 2.312 2.273 2.322 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU HB2 1 9 LEU MD2 1.800 . 2.900 3.177 3.165 3.179 0.279 6 0 "[ . 1 . 2]" 1
111 1 9 LEU HA 1 9 LEU HG 1.800 . 3.500 3.167 3.156 3.176 . 0 0 "[ . 1 . 2]" 1
112 1 9 LEU H 1 9 LEU HG 1.800 . 3.500 1.978 1.946 1.998 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU HA 1 9 LEU MD1 1.800 . 5.000 3.773 3.770 3.783 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU HA 1 9 LEU MD2 1.800 . 5.000 2.021 2.018 2.043 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU QD 1 9 LEU HG 1.800 . 2.900 1.893 1.891 1.906 . 0 0 "[ . 1 . 2]" 1
116 1 6 VAL QG 1 9 LEU H 1.800 . 6.300 5.771 5.651 5.976 . 0 0 "[ . 1 . 2]" 1
117 1 7 CYS QB 1 9 LEU H 1.800 . 5.000 4.143 4.089 4.173 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU QD 1 9 LEU H 1.800 . 5.000 4.045 3.895 4.142 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU HA 1 9 LEU H 1.800 . 3.500 3.554 3.544 3.568 0.068 12 0 "[ . 1 . 2]" 1
120 1 9 LEU H 1 10 CYS H 1.800 . 2.900 2.729 2.683 2.749 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU H 1 10 CYS QB 1.800 . 5.000 4.956 4.912 4.988 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU H 1 11 GLY H 1.800 . 5.000 4.771 4.718 4.848 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU H 1 19 LEU QD 1.800 . 6.000 5.606 5.232 6.006 0.006 11 0 "[ . 1 . 2]" 1
124 1 9 LEU H 1 29 TYR HA 1.800 . 5.000 3.865 3.669 3.950 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU H 1 29 TYR QD 1.800 . 5.000 3.853 3.610 4.226 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU H 1 29 TYR QE 1.800 . 5.000 3.789 3.577 4.118 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU H 1 33 CYS HB3 1.800 . 6.000 4.668 4.533 6.057 0.057 12 0 "[ . 1 . 2]" 1
128 1 9 LEU H 1 33 CYS HB2 1.800 . 6.000 5.118 4.999 5.186 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU QB 1 10 CYS H 1.800 . 2.900 2.535 2.443 2.562 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU QB 1 29 TYR QD 1.800 . 5.000 4.016 3.677 4.210 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU HB3 1 29 TYR QE 1.800 . 6.000 5.128 4.915 5.229 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU HB2 1 29 TYR QE 1.800 . 6.000 4.782 4.643 4.870 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU HB3 1 33 CYS QB 1.800 . 3.500 3.247 2.673 3.338 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU HB2 1 33 CYS QB 1.800 . 3.500 2.503 2.458 2.589 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU QD 1 29 TYR QB 1.800 . 5.000 3.763 3.362 3.929 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU MD1 1 29 TYR QD 1.800 . 5.000 2.248 2.071 2.316 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU MD2 1 29 TYR QD 1.800 . 5.000 3.825 3.466 4.012 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU MD1 1 29 TYR QE 1.800 . 5.000 2.809 2.482 2.946 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU MD2 1 29 TYR QE 1.800 . 5.000 2.542 2.304 2.664 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU QD 1 33 CYS QB 1.800 . 2.900 1.962 1.954 2.034 . 0 0 "[ . 1 . 2]" 1
141 1 9 LEU QD 1 34 LEU HG 1.800 . 3.500 3.456 3.016 3.539 0.039 4 0 "[ . 1 . 2]" 1
142 1 9 LEU QD 1 34 LEU HA 1.800 . 3.500 3.313 2.843 3.379 . 0 0 "[ . 1 . 2]" 1
143 1 9 LEU MD1 1 35 ILE H 1.800 . 6.000 6.048 5.582 6.107 0.107 3 0 "[ . 1 . 2]" 1
144 1 10 CYS H 1 10 CYS HA 1.800 . 2.900 2.964 2.960 2.969 0.069 19 0 "[ . 1 . 2]" 1
145 1 10 CYS H 1 10 CYS QB 1.800 . 2.900 2.532 2.510 2.578 . 0 0 "[ . 1 . 2]" 1
146 1 9 LEU HA 1 10 CYS H 1.800 . 3.500 3.581 3.556 3.589 0.089 18 0 "[ . 1 . 2]" 1
147 1 9 LEU QD 1 10 CYS H 1.800 . 5.000 4.051 3.966 4.068 . 0 0 "[ . 1 . 2]" 1
148 1 9 LEU HG 1 10 CYS H 1.800 . 5.000 4.122 4.010 4.142 . 0 0 "[ . 1 . 2]" 1
149 1 10 CYS H 1 11 GLY QA 1.800 . 5.000 4.244 4.209 4.286 . 0 0 "[ . 1 . 2]" 1
150 1 10 CYS H 1 11 GLY H 1.800 . 3.500 2.699 2.681 2.747 . 0 0 "[ . 1 . 2]" 1
151 1 10 CYS H 1 19 LEU QD 1.800 . 6.000 5.420 5.003 5.951 . 0 0 "[ . 1 . 2]" 1
152 1 10 CYS H 1 32 PHE QE 1.800 . 6.000 6.011 5.589 6.060 0.060 19 0 "[ . 1 . 2]" 1
153 1 11 GLY H 1 11 GLY HA3 1.800 . 2.900 2.983 2.981 2.985 0.085 12 0 "[ . 1 . 2]" 1
154 1 11 GLY H 1 11 GLY HA2 1.800 . 2.900 2.472 2.467 2.477 . 0 0 "[ . 1 . 2]" 1
155 1 6 VAL QG 1 11 GLY H 1.800 . 5.000 3.701 3.631 3.793 . 0 0 "[ . 1 . 2]" 1
156 1 6 VAL HB 1 11 GLY H 1.800 . 5.000 3.638 3.469 3.752 . 0 0 "[ . 1 . 2]" 1
157 1 7 CYS HB2 1 11 GLY H 1.800 . 5.000 4.034 3.816 4.126 . 0 0 "[ . 1 . 2]" 1
158 1 7 CYS HB3 1 11 GLY H 1.800 . 2.900 2.311 2.063 2.426 . 0 0 "[ . 1 . 2]" 1
159 1 9 LEU HA 1 11 GLY H 1.800 . 6.500 5.770 5.724 5.866 . 0 0 "[ . 1 . 2]" 1
160 1 9 LEU QD 1 11 GLY H 1.800 . 6.000 5.920 5.863 5.975 . 0 0 "[ . 1 . 2]" 1
161 1 10 CYS QB 1 11 GLY H 1.800 . 6.000 1.872 1.844 1.914 . 0 0 "[ . 1 . 2]" 1
162 1 10 CYS HA 1 11 GLY H 1.800 . 3.500 3.550 3.541 3.569 0.069 12 0 "[ . 1 . 2]" 1
163 1 11 GLY H 1 12 SER H 1.800 . 3.500 2.078 2.031 2.146 . 0 0 "[ . 1 . 2]" 1
164 1 11 GLY H 1 19 LEU QD 1.800 . 6.000 4.758 4.474 5.157 . 0 0 "[ . 1 . 2]" 1
165 1 6 VAL MG1 1 11 GLY HA3 1.800 . 5.000 4.902 4.575 5.084 0.084 13 0 "[ . 1 . 2]" 1
166 1 6 VAL MG1 1 11 GLY HA2 1.800 . 5.000 3.972 3.674 4.104 . 0 0 "[ . 1 . 2]" 1
167 1 6 VAL HB 1 11 GLY QA 1.800 . 6.000 2.740 2.320 2.958 . 0 0 "[ . 1 . 2]" 1
168 1 11 GLY HA3 1 12 SER H 1.800 . 6.000 3.269 3.251 3.331 . 0 0 "[ . 1 . 2]" 1
169 1 11 GLY HA2 1 12 SER H 1.800 . 6.000 3.294 3.252 3.306 . 0 0 "[ . 1 . 2]" 1
170 1 12 SER H 1 12 SER HA 1.800 . 2.900 2.949 2.942 2.966 0.066 17 0 "[ . 1 . 2]" 1
171 1 12 SER H 1 12 SER QB 1.800 . 3.500 2.471 2.172 2.538 . 0 0 "[ . 1 . 2]" 1
172 1 6 VAL HB 1 12 SER H 1.800 . 5.000 3.671 3.499 3.888 . 0 0 "[ . 1 . 2]" 1
173 1 6 VAL QG 1 12 SER H 1.800 . 5.000 3.921 3.830 4.029 . 0 0 "[ . 1 . 2]" 1
174 1 7 CYS HB3 1 12 SER H 1.800 . 5.000 3.407 3.339 3.466 . 0 0 "[ . 1 . 2]" 1
175 1 7 CYS HB2 1 12 SER H 1.800 . 5.000 5.060 4.954 5.130 0.130 17 0 "[ . 1 . 2]" 1
176 1 7 CYS H 1 12 SER H 1.800 . 5.000 4.250 4.066 4.412 . 0 0 "[ . 1 . 2]" 1
177 1 10 CYS HA 1 12 SER H 1.800 . 6.000 4.233 4.175 4.345 . 0 0 "[ . 1 . 2]" 1
178 1 10 CYS HB2 1 12 SER H 1.800 . 3.500 2.416 2.389 2.482 . 0 0 "[ . 1 . 2]" 1
179 1 10 CYS HB3 1 12 SER H 1.800 . 5.000 2.612 2.533 2.897 . 0 0 "[ . 1 . 2]" 1
180 1 10 CYS H 1 12 SER H 1.800 . 6.000 4.470 4.436 4.538 . 0 0 "[ . 1 . 2]" 1
181 1 11 GLY QA 1 12 SER H 1.800 . 2.900 2.923 2.918 2.931 0.031 1 0 "[ . 1 . 2]" 1
182 1 12 SER H 1 13 GLY H 1.800 . 3.500 2.235 2.101 2.315 . 0 0 "[ . 1 . 2]" 1
183 1 12 SER H 1 30 HIS HE1 1.800 . 5.000 3.638 3.168 3.720 . 0 0 "[ . 1 . 2]" 1
184 1 12 SER H 1 19 LEU QD 1.800 . 6.000 5.138 4.831 5.478 . 0 0 "[ . 1 . 2]" 1
185 1 12 SER H 1 32 PHE QE 1.800 . 7.000 7.002 6.377 7.060 0.060 17 0 "[ . 1 . 2]" 1
186 1 7 CYS QB 1 12 SER QB 1.800 . 5.000 4.356 4.275 4.470 . 0 0 "[ . 1 . 2]" 1
187 1 7 CYS H 1 12 SER QB 1.800 . 6.000 5.172 4.980 5.374 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLY H 1 12 SER QB 1.800 . 6.000 4.211 3.958 4.278 . 0 0 "[ . 1 . 2]" 1
189 1 12 SER HB3 1 13 GLY H 1.800 . 6.000 3.850 3.290 3.913 . 0 0 "[ . 1 . 2]" 1
190 1 12 SER HB2 1 13 GLY H 1.800 . 6.000 2.804 2.761 3.102 . 0 0 "[ . 1 . 2]" 1
191 1 12 SER QB 1 14 ASN H 1.800 . 3.500 2.640 2.388 2.863 . 0 0 "[ . 1 . 2]" 1
192 1 12 SER HA 1 13 GLY H 1.800 . 3.500 3.494 3.471 3.509 0.009 1 0 "[ . 1 . 2]" 1
193 1 13 GLY H 1 14 ASN HA 1.800 . 6.000 5.529 5.485 5.574 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLY H 1 14 ASN H 1.800 . 3.500 3.052 2.964 3.226 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLY QA 1 14 ASN HA 1.800 . 5.000 4.077 4.062 4.097 . 0 0 "[ . 1 . 2]" 1
196 1 7 CYS H 1 13 GLY QA 1.800 . 6.000 2.252 2.038 2.482 . 0 0 "[ . 1 . 2]" 1
197 1 13 GLY QA 1 14 ASN H 1.800 . 6.000 2.847 2.769 2.919 . 0 0 "[ . 1 . 2]" 1
198 1 14 ASN H 1 14 ASN HA 1.800 . 2.900 2.933 2.930 2.937 0.037 20 0 "[ . 1 . 2]" 1
199 1 14 ASN H 1 14 ASN HD21 1.800 . 3.500 2.371 2.116 3.281 . 0 0 "[ . 1 . 2]" 1
200 1 14 ASN H 1 14 ASN HD22 1.800 . 3.500 3.518 3.507 3.602 0.102 16 0 "[ . 1 . 2]" 1
201 1 14 ASN H 1 14 ASN HB2 1.800 . 3.500 3.578 2.612 3.635 0.135 6 0 "[ . 1 . 2]" 1
202 1 12 SER HA 1 14 ASN H 1.800 . 5.000 4.027 3.889 4.214 . 0 0 "[ . 1 . 2]" 1
203 1 12 SER HA 1 14 ASN HB3 1.800 . 6.300 4.345 4.120 6.097 . 0 0 "[ . 1 . 2]" 1
204 1 12 SER HA 1 14 ASN HB2 1.800 . 6.000 5.952 5.395 6.095 0.095 5 0 "[ . 1 . 2]" 1
205 1 6 VAL QG 1 14 ASN H 1.800 . 5.000 4.405 4.233 4.698 . 0 0 "[ . 1 . 2]" 1
206 1 14 ASN QB 1 15 ASP H 1.800 . 3.500 3.547 2.953 3.605 0.105 14 0 "[ . 1 . 2]" 1
207 1 15 ASP H 1 15 ASP HA 1.800 . 2.900 2.894 2.878 2.911 0.011 18 0 "[ . 1 . 2]" 1
208 1 14 ASN HB3 1 15 ASP H 1.800 . 5.000 3.923 3.840 4.132 . 0 0 "[ . 1 . 2]" 1
209 1 14 ASN HB2 1 15 ASP H 1.800 . 5.000 4.098 3.026 4.221 . 0 0 "[ . 1 . 2]" 1
210 1 14 ASN QD 1 15 ASP H 1.800 . 5.000 2.945 2.057 4.351 . 0 0 "[ . 1 . 2]" 1
211 1 14 ASN H 1 15 ASP H 1.800 . 3.500 2.305 2.247 2.352 . 0 0 "[ . 1 . 2]" 1
212 1 15 ASP H 1 16 GLU H 1.800 . 5.000 4.038 3.995 4.088 . 0 0 "[ . 1 . 2]" 1
213 1 12 SER HB3 1 15 ASP H 1.800 . 6.000 4.822 4.200 5.147 . 0 0 "[ . 1 . 2]" 1
214 1 12 SER HB2 1 15 ASP H 1.800 . 6.000 4.503 4.124 5.351 . 0 0 "[ . 1 . 2]" 1
215 1 15 ASP H 1 16 GLU HA 1.800 . 6.000 5.188 5.148 5.261 . 0 0 "[ . 1 . 2]" 1
216 1 15 ASP H 1 16 GLU QB 1.800 . 6.000 5.754 5.572 6.134 0.134 5 0 "[ . 1 . 2]" 1
217 1 15 ASP H 1 32 PHE QE 1.800 . 6.500 5.843 5.476 6.099 . 0 0 "[ . 1 . 2]" 1
218 1 15 ASP HA 1 32 PHE QE 1.800 . 6.000 5.884 5.513 6.042 0.042 9 0 "[ . 1 . 2]" 1
219 1 15 ASP HB3 1 18 ARG QB 1.800 . 5.000 2.237 2.189 2.273 . 0 0 "[ . 1 . 2]" 1
220 1 15 ASP HB2 1 18 ARG QB 1.800 . 5.000 2.705 2.439 3.414 . 0 0 "[ . 1 . 2]" 1
221 1 15 ASP HB3 1 30 HIS HD2 1.800 . 3.500 3.408 2.274 3.566 0.066 3 0 "[ . 1 . 2]" 1
222 1 15 ASP HB2 1 30 HIS HD2 1.800 . 3.500 2.656 2.284 3.591 0.091 2 0 "[ . 1 . 2]" 1
223 1 15 ASP HB3 1 32 PHE QE 1.800 . 5.000 3.641 3.335 3.833 . 0 0 "[ . 1 . 2]" 1
224 1 15 ASP HB2 1 32 PHE QE 1.800 . 5.000 3.895 3.556 4.132 . 0 0 "[ . 1 . 2]" 1
225 1 15 ASP HB3 1 32 PHE HZ 1.800 . 5.000 4.234 3.828 4.442 . 0 0 "[ . 1 . 2]" 1
226 1 15 ASP HB2 1 32 PHE HZ 1.800 . 5.000 3.623 3.344 3.836 . 0 0 "[ . 1 . 2]" 1
227 1 16 GLU HA 1 19 LEU QB 1.800 . 5.000 3.344 3.005 3.594 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLU HA 1 19 LEU HG 1.800 . 6.500 5.861 4.922 6.572 0.072 20 0 "[ . 1 . 2]" 1
229 1 16 GLU HA 1 19 LEU QD 1.800 . 6.000 4.417 4.021 5.010 . 0 0 "[ . 1 . 2]" 1
230 1 16 GLU HA 1 19 LEU H 1.800 . 6.000 3.678 3.451 3.930 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLU HG3 1 18 ARG QB 1.800 . 7.300 7.131 6.427 7.603 0.303 2 0 "[ . 1 . 2]" 1
232 1 16 GLU HA 1 17 ASP H 1.800 . 6.000 3.550 3.535 3.570 . 0 0 "[ . 1 . 2]" 1
233 1 16 GLU HA 1 18 ARG H 1.800 . 6.000 4.255 4.057 4.417 . 0 0 "[ . 1 . 2]" 1
234 1 16 GLU HG3 1 17 ASP H 1.800 . 6.000 3.261 1.770 4.654 0.030 9 0 "[ . 1 . 2]" 1
235 1 16 GLU HG2 1 17 ASP H 1.800 . 6.000 3.223 1.978 5.107 . 0 0 "[ . 1 . 2]" 1
236 1 17 ASP H 1 17 ASP HA 1.800 . 2.900 2.885 2.865 2.921 0.021 6 0 "[ . 1 . 2]" 1
237 1 17 ASP H 1 17 ASP QB 1.800 . 2.900 2.365 2.264 2.401 . 0 0 "[ . 1 . 2]" 1
238 1 16 GLU QB 1 17 ASP H 1.800 . 3.500 2.940 2.435 3.429 . 0 0 "[ . 1 . 2]" 1
239 1 16 GLU QG 1 17 ASP H 1.800 . 5.000 2.755 1.765 4.315 0.035 9 0 "[ . 1 . 2]" 1
240 1 16 GLU H 1 17 ASP H 1.800 . 3.500 2.870 2.811 2.941 . 0 0 "[ . 1 . 2]" 1
241 1 17 ASP H 1 18 ARG HA 1.800 . 6.000 5.288 5.183 5.332 . 0 0 "[ . 1 . 2]" 1
242 1 17 ASP H 1 18 ARG QB 1.800 . 5.000 4.843 4.707 4.922 . 0 0 "[ . 1 . 2]" 1
243 1 17 ASP H 1 18 ARG H 1.800 . 2.900 2.643 2.535 2.690 . 0 0 "[ . 1 . 2]" 1
244 1 17 ASP H 1 19 LEU QB 1.800 . 6.000 5.283 5.088 5.454 . 0 0 "[ . 1 . 2]" 1
245 1 17 ASP H 1 19 LEU H 1.800 . 5.000 4.198 4.121 4.285 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLU QB 1 17 ASP QB 1.800 . 6.000 4.587 3.652 5.094 . 0 0 "[ . 1 . 2]" 1
247 1 17 ASP QB 1 18 ARG QG 1.800 . 5.000 2.713 2.570 2.793 . 0 0 "[ . 1 . 2]" 1
248 1 17 ASP QB 1 32 PHE QE 1.800 . 6.000 5.997 5.876 6.064 0.064 12 0 "[ . 1 . 2]" 1
249 1 18 ARG H 1 18 ARG QD 1.800 . 6.000 3.462 3.261 3.571 . 0 0 "[ . 1 . 2]" 1
250 1 18 ARG QB 1 18 ARG HD3 1.800 . 3.500 3.136 3.052 3.174 . 0 0 "[ . 1 . 2]" 1
251 1 18 ARG QB 1 18 ARG HD2 1.800 . 3.500 2.327 2.288 2.368 . 0 0 "[ . 1 . 2]" 1
252 1 18 ARG HA 1 18 ARG QD 1.800 . 3.500 2.082 2.052 2.145 . 0 0 "[ . 1 . 2]" 1
253 1 18 ARG H 1 19 LEU H 1.800 . 2.900 2.320 2.235 2.428 . 0 0 "[ . 1 . 2]" 1
254 1 15 ASP QB 1 18 ARG H 1.800 . 5.000 2.567 2.356 3.045 . 0 0 "[ . 1 . 2]" 1
255 1 17 ASP QB 1 18 ARG H 1.800 . 3.500 2.930 2.791 3.085 . 0 0 "[ . 1 . 2]" 1
256 1 18 ARG H 1 19 LEU HG 1.800 . 6.500 6.615 6.469 6.706 0.206 7 0 "[ . 1 . 2]" 1
257 1 18 ARG H 1 30 HIS HD2 1.800 . 5.000 3.962 3.870 4.008 . 0 0 "[ . 1 . 2]" 1
258 1 16 GLU H 1 18 ARG H 1.800 . 6.000 4.227 4.152 4.299 . 0 0 "[ . 1 . 2]" 1
259 1 15 ASP QB 1 18 ARG QB 1.800 . 3.500 2.128 2.060 2.238 . 0 0 "[ . 1 . 2]" 1
260 1 18 ARG QB 1 30 HIS QB 1.800 . 6.000 3.042 2.590 3.112 . 0 0 "[ . 1 . 2]" 1
261 1 18 ARG QB 1 30 HIS HD2 1.800 . 6.000 2.227 2.177 2.303 . 0 0 "[ . 1 . 2]" 1
262 1 18 ARG QB 1 31 THR H 1.800 . 3.500 2.577 2.421 2.693 . 0 0 "[ . 1 . 2]" 1
263 1 18 ARG QB 1 31 THR HG1 1.800 . 3.500 2.331 2.120 2.502 . 0 0 "[ . 1 . 2]" 1
264 1 18 ARG QB 1 32 PHE QE 1.800 . 3.500 2.096 2.035 2.195 . 0 0 "[ . 1 . 2]" 1
265 1 18 ARG QD 1 32 PHE QD 1.800 . 5.000 3.505 3.361 3.738 . 0 0 "[ . 1 . 2]" 1
266 1 18 ARG HD3 1 32 PHE QE 1.800 . 6.000 4.821 4.745 4.958 . 0 0 "[ . 1 . 2]" 1
267 1 18 ARG HD2 1 32 PHE QE 1.800 . 5.000 3.855 3.730 4.089 . 0 0 "[ . 1 . 2]" 1
268 1 18 ARG HD3 1 40 ASP HA 1.800 . 5.000 4.662 4.537 4.753 . 0 0 "[ . 1 . 2]" 1
269 1 18 ARG HD2 1 40 ASP HA 1.800 . 5.000 4.961 4.781 5.035 0.035 12 0 "[ . 1 . 2]" 1
270 1 18 ARG HD3 1 41 VAL QG 1.800 . 6.000 3.722 3.411 4.176 . 0 0 "[ . 1 . 2]" 1
271 1 18 ARG HD2 1 41 VAL QG 1.800 . 5.000 4.268 3.810 5.018 0.018 8 0 "[ . 1 . 2]" 1
272 1 19 LEU H 1 19 LEU HA 1.800 . 2.900 2.904 2.889 2.920 0.020 10 0 "[ . 1 . 2]" 1
273 1 19 LEU H 1 19 LEU HB2 1.800 . 2.900 2.452 2.314 2.746 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU H 1 19 LEU HB3 1.800 . 3.500 2.725 2.399 2.863 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU H 1 19 LEU HG 1.800 . 5.000 4.448 4.323 4.609 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU H 1 19 LEU MD1 1.800 . 5.000 4.175 3.921 4.333 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU H 1 19 LEU MD2 1.800 . 5.000 4.077 3.701 4.322 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU HB3 1 19 LEU MD1 1.800 . 2.900 2.585 2.322 3.168 0.268 4 0 "[ . 1 . 2]" 1
279 1 19 LEU HB2 1 19 LEU MD1 1.800 . 3.500 2.532 2.189 3.205 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU HB3 1 19 LEU MD2 1.800 . 3.500 2.518 2.194 3.187 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU HB2 1 19 LEU MD2 1.800 . 2.900 2.710 2.221 3.188 0.288 11 0 "[ . 1 . 2]" 1
282 1 19 LEU HA 1 19 LEU HG 1.800 . 3.500 2.849 2.245 3.629 0.129 6 0 "[ . 1 . 2]" 1
283 1 19 LEU HA 1 19 LEU MD2 1.800 . 5.000 2.732 2.054 3.817 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU HA 1 19 LEU MD1 1.800 . 3.500 2.908 2.010 3.698 0.198 11 0 "[ . 1 . 2]" 1
285 1 19 LEU MD1 1 19 LEU MD2 1.800 . 2.900 1.958 1.883 2.060 . 0 0 "[ . 1 . 2]" 1
286 1 15 ASP QB 1 19 LEU H 1.800 . 5.000 3.174 2.995 3.321 . 0 0 "[ . 1 . 2]" 1
287 1 17 ASP QB 1 19 LEU H 1.800 . 6.000 4.890 4.812 4.948 . 0 0 "[ . 1 . 2]" 1
288 1 18 ARG HA 1 19 LEU H 1.800 . 3.500 3.512 3.463 3.544 0.044 2 0 "[ . 1 . 2]" 1
289 1 18 ARG QB 1 19 LEU H 1.800 . 5.000 3.116 2.971 3.220 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU H 1 20 LEU QD 1.800 . 6.000 4.987 4.904 5.060 . 0 0 "[ . 1 . 2]" 1
291 1 19 LEU H 1 30 HIS HA 1.800 . 6.000 4.461 4.355 4.564 . 0 0 "[ . 1 . 2]" 1
292 1 19 LEU H 1 30 HIS HD2 1.800 . 6.000 3.016 2.737 3.115 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU H 1 32 PHE QE 1.800 . 6.000 5.454 5.330 5.517 . 0 0 "[ . 1 . 2]" 1
294 1 19 LEU HA 1 29 TYR H 1.800 . 6.000 3.948 3.840 4.064 . 0 0 "[ . 1 . 2]" 1
295 1 19 LEU HA 1 30 HIS HD2 1.800 . 3.500 2.575 2.472 2.691 . 0 0 "[ . 1 . 2]" 1
296 1 19 LEU HA 1 20 LEU H 1.800 . 2.900 2.207 2.188 2.241 . 0 0 "[ . 1 . 2]" 1
297 1 19 LEU HA 1 30 HIS HA 1.800 . 2.900 2.407 2.280 2.611 . 0 0 "[ . 1 . 2]" 1
298 1 16 GLU HA 1 19 LEU HB3 1.800 . 6.000 3.602 3.260 3.933 . 0 0 "[ . 1 . 2]" 1
299 1 16 GLU HA 1 19 LEU HB2 1.800 . 6.000 4.004 3.516 4.526 . 0 0 "[ . 1 . 2]" 1
300 1 19 LEU HB3 1 30 HIS HD2 1.800 . 5.000 4.482 4.080 4.663 . 0 0 "[ . 1 . 2]" 1
301 1 19 LEU HB2 1 30 HIS HD2 1.800 . 6.000 3.153 2.738 3.359 . 0 0 "[ . 1 . 2]" 1
302 1 19 LEU HB3 1 30 HIS HA 1.800 . 6.000 5.379 5.260 5.575 . 0 0 "[ . 1 . 2]" 1
303 1 19 LEU HB2 1 30 HIS HA 1.800 . 6.000 4.617 4.359 4.866 . 0 0 "[ . 1 . 2]" 1
304 1 7 CYS HA 1 19 LEU QD 1.800 . 3.500 2.789 2.389 3.241 . 0 0 "[ . 1 . 2]" 1
305 1 7 CYS QB 1 19 LEU MD1 1.800 . 5.000 3.066 1.964 3.973 . 0 0 "[ . 1 . 2]" 1
306 1 12 SER HA 1 19 LEU QD 1.800 . 6.300 6.012 5.831 6.168 . 0 0 "[ . 1 . 2]" 1
307 1 13 GLY QA 1 19 LEU QD 1.800 . 5.000 1.940 1.827 2.175 . 0 0 "[ . 1 . 2]" 1
308 1 14 ASN H 1 19 LEU QD 1.800 . 6.000 4.329 4.177 4.497 . 0 0 "[ . 1 . 2]" 1
309 1 14 ASN HA 1 19 LEU QD 1.800 . 6.000 4.967 4.531 5.680 . 0 0 "[ . 1 . 2]" 1
310 1 19 LEU QD 1 28 SER QB 1.800 . 3.500 2.040 1.863 2.714 . 0 0 "[ . 1 . 2]" 1
311 1 19 LEU MD1 1 29 TYR H 1.800 . 6.000 2.999 2.085 4.058 . 0 0 "[ . 1 . 2]" 1
312 1 19 LEU MD2 1 29 TYR H 1.800 . 6.000 2.768 1.769 4.489 0.031 11 0 "[ . 1 . 2]" 1
313 1 19 LEU QD 1 30 HIS HA 1.800 . 5.000 3.531 3.111 4.023 . 0 0 "[ . 1 . 2]" 1
314 1 19 LEU QD 1 30 HIS H 1.800 . 5.000 4.107 3.573 4.630 . 0 0 "[ . 1 . 2]" 1
315 1 19 LEU MD1 1 30 HIS HD2 1.800 . 6.000 4.197 2.838 4.717 . 0 0 "[ . 1 . 2]" 1
316 1 19 LEU MD2 1 30 HIS HD2 1.800 . 6.000 4.126 2.731 4.881 . 0 0 "[ . 1 . 2]" 1
317 1 19 LEU QD 1 30 HIS HE1 1.800 . 6.000 3.745 3.190 4.376 . 0 0 "[ . 1 . 2]" 1
318 1 19 LEU HG 1 30 HIS HD2 1.800 . 6.000 4.527 3.602 5.409 . 0 0 "[ . 1 . 2]" 1
319 1 7 CYS QB 1 19 LEU HG 1.800 . 5.000 3.741 2.669 5.149 0.149 4 0 "[ . 1 . 2]" 1
320 1 19 LEU HG 1 28 SER QB 1.800 . 6.000 3.444 3.009 4.271 . 0 0 "[ . 1 . 2]" 1
321 1 20 LEU H 1 20 LEU HA 1.800 . 2.900 2.983 2.978 2.989 0.089 10 0 "[ . 1 . 2]" 1
322 1 20 LEU H 1 20 LEU HB2 1.800 . 3.500 3.350 3.318 3.397 . 0 0 "[ . 1 . 2]" 1
323 1 20 LEU H 1 20 LEU MD1 1.800 . 5.000 1.961 1.847 2.112 . 0 0 "[ . 1 . 2]" 1
324 1 20 LEU H 1 20 LEU MD2 1.800 . 3.500 3.674 3.632 3.693 0.193 1 0 "[ . 1 . 2]" 1
325 1 20 LEU HB3 1 20 LEU MD1 1.800 . 3.500 3.144 3.128 3.154 . 0 0 "[ . 1 . 2]" 1
326 1 20 LEU HB2 1 20 LEU MD1 1.800 . 3.500 2.220 2.187 2.241 . 0 0 "[ . 1 . 2]" 1
327 1 20 LEU HB3 1 20 LEU MD2 1.800 . 3.500 2.227 2.175 2.271 . 0 0 "[ . 1 . 2]" 1
328 1 20 LEU HB2 1 20 LEU MD2 1.800 . 3.500 2.475 2.434 2.559 . 0 0 "[ . 1 . 2]" 1
329 1 20 LEU HA 1 20 LEU MD1 1.800 . 3.500 3.577 3.529 3.637 0.137 5 0 "[ . 1 . 2]" 1
330 1 20 LEU HA 1 20 LEU MD2 1.800 . 6.000 3.895 3.846 3.914 . 0 0 "[ . 1 . 2]" 1
331 1 20 LEU MD1 1 20 LEU MD2 1.800 . 2.900 2.020 1.973 2.049 . 0 0 "[ . 1 . 2]" 1
332 1 20 LEU QD 1 20 LEU HG 1.800 . 3.500 1.897 1.888 1.905 . 0 0 "[ . 1 . 2]" 1
333 1 20 LEU H 1 20 LEU HG 1.800 . 3.500 2.111 2.029 2.204 . 0 0 "[ . 1 . 2]" 1
334 1 19 LEU H 1 20 LEU H 1.800 . 5.000 4.460 4.421 4.499 . 0 0 "[ . 1 . 2]" 1
335 1 20 LEU H 1 29 TYR H 1.800 . 2.900 3.002 2.982 3.043 0.143 12 0 "[ . 1 . 2]" 1
336 1 19 LEU QD 1 20 LEU H 1.800 . 3.500 2.397 2.117 3.028 . 0 0 "[ . 1 . 2]" 1
337 1 19 LEU HG 1 20 LEU H 1.800 . 5.000 3.935 3.278 5.000 . 0 0 "[ . 1 . 2]" 1
338 1 20 LEU H 1 30 HIS HA 1.800 . 2.900 2.999 2.852 3.033 0.133 1 0 "[ . 1 . 2]" 1
339 1 20 LEU QB 1 41 VAL QG 1.800 . 3.500 2.511 2.232 2.777 . 0 0 "[ . 1 . 2]" 1
340 1 20 LEU QB 1 46 TRP HE3 1.800 . 5.000 3.684 3.482 3.934 . 0 0 "[ . 1 . 2]" 1
341 1 20 LEU QB 1 46 TRP HZ2 1.800 . 6.000 4.511 4.453 4.566 . 0 0 "[ . 1 . 2]" 1
342 1 18 ARG HD2 1 20 LEU MD1 1.800 . 6.000 6.077 6.042 6.131 0.131 12 0 "[ . 1 . 2]" 1
343 1 18 ARG HD2 1 20 LEU MD2 1.800 . 6.000 5.155 4.925 5.358 . 0 0 "[ . 1 . 2]" 1
344 1 20 LEU QD 1 21 LEU H 1.800 . 5.000 4.200 4.178 4.227 . 0 0 "[ . 1 . 2]" 1
345 1 20 LEU QD 1 22 CYS H 1.800 . 6.000 4.792 4.685 4.874 . 0 0 "[ . 1 . 2]" 1
346 1 20 LEU QD 1 27 ASP H 1.800 . 7.000 7.116 7.065 7.198 0.198 12 0 "[ . 1 . 2]" 1
347 1 20 LEU MD1 1 31 THR H 1.800 . 3.500 2.960 2.736 3.074 . 0 0 "[ . 1 . 2]" 1
348 1 20 LEU MD2 1 31 THR H 1.800 . 3.500 3.348 3.138 3.503 0.003 20 0 "[ . 1 . 2]" 1
349 1 20 LEU QD 1 31 THR HA 1.800 . 3.500 2.277 2.193 2.451 . 0 0 "[ . 1 . 2]" 1
350 1 20 LEU QD 1 31 THR HB 1.800 . 6.000 2.514 2.303 2.668 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU QD 1 34 LEU QD 1.800 . 2.900 1.817 1.793 1.840 0.007 7 0 "[ . 1 . 2]" 1
352 1 20 LEU QD 1 38 LEU QB 1.800 . 5.000 3.278 3.198 3.370 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU QD 1 38 LEU MD1 1.800 . 3.500 2.756 2.059 3.434 . 0 0 "[ . 1 . 2]" 1
354 1 20 LEU MD1 1 41 VAL HA 1.800 . 6.000 5.032 4.890 5.142 . 0 0 "[ . 1 . 2]" 1
355 1 20 LEU MD2 1 41 VAL HA 1.800 . 5.000 2.361 2.217 2.546 . 0 0 "[ . 1 . 2]" 1
356 1 20 LEU QD 1 41 VAL MG2 1.800 . 5.000 3.551 2.173 4.366 . 0 0 "[ . 1 . 2]" 1
357 1 20 LEU QD 1 42 PRO QG 1.800 . 5.000 3.351 3.124 3.582 . 0 0 "[ . 1 . 2]" 1
358 1 20 LEU MD1 1 46 TRP HE3 1.800 . 6.000 5.100 4.943 5.321 . 0 0 "[ . 1 . 2]" 1
359 1 20 LEU MD2 1 46 TRP HE3 1.800 . 6.000 4.534 4.330 4.725 . 0 0 "[ . 1 . 2]" 1
360 1 20 LEU QD 1 46 TRP HH2 1.800 . 6.000 2.956 2.859 3.058 . 0 0 "[ . 1 . 2]" 1
361 1 20 LEU QD 1 46 TRP HZ2 1.800 . 5.000 3.323 3.239 3.413 . 0 0 "[ . 1 . 2]" 1
362 1 20 LEU QD 1 46 TRP HE1 1.800 . 6.000 4.367 4.240 4.540 . 0 0 "[ . 1 . 2]" 1
363 1 20 LEU HG 1 29 TYR H 1.800 . 6.000 4.924 4.768 5.073 . 0 0 "[ . 1 . 2]" 1
364 1 20 LEU HG 1 31 THR H 1.800 . 6.000 3.304 3.219 3.352 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU H 1 21 LEU HB3 1.800 . 3.500 2.423 2.151 3.671 0.171 12 0 "[ . 1 . 2]" 1
366 1 21 LEU H 1 21 LEU HB2 1.800 . 3.500 2.972 2.463 3.263 . 0 0 "[ . 1 . 2]" 1
367 1 21 LEU H 1 21 LEU QD 1.800 . 3.500 3.544 2.921 3.726 0.226 11 0 "[ . 1 . 2]" 1
368 1 21 LEU H 1 21 LEU HG 1.800 . 5.000 4.281 2.173 4.429 . 0 0 "[ . 1 . 2]" 1
369 1 21 LEU QB 1 21 LEU QD 1.800 . 3.500 1.858 1.847 1.914 . 0 0 "[ . 1 . 2]" 1
370 1 19 LEU QD 1 21 LEU H 1.800 . 6.000 3.804 3.404 4.909 . 0 0 "[ . 1 . 2]" 1
371 1 20 LEU HA 1 21 LEU H 1.800 . 2.900 2.224 2.207 2.244 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU QB 1 21 LEU H 1.800 . 3.500 3.187 3.136 3.241 . 0 0 "[ . 1 . 2]" 1
373 1 21 LEU H 1 22 CYS H 1.800 . 6.000 4.492 4.471 4.518 . 0 0 "[ . 1 . 2]" 1
374 1 5 TYR QD 1 21 LEU QD 1.800 . 6.000 2.244 1.998 2.985 . 0 0 "[ . 1 . 2]" 1
375 1 5 TYR QE 1 21 LEU QD 1.800 . 6.000 2.370 2.041 2.892 . 0 0 "[ . 1 . 2]" 1
376 1 22 CYS H 1 22 CYS HA 1.800 . 2.900 2.951 2.939 2.962 0.062 13 0 "[ . 1 . 2]" 1
377 1 22 CYS H 1 22 CYS HB3 1.800 . 3.500 2.203 2.169 2.242 . 0 0 "[ . 1 . 2]" 1
378 1 22 CYS H 1 22 CYS HB2 1.800 . 3.500 3.293 2.986 3.476 . 0 0 "[ . 1 . 2]" 1
379 1 20 LEU QB 1 22 CYS H 1.800 . 6.000 4.892 4.812 4.981 . 0 0 "[ . 1 . 2]" 1
380 1 22 CYS H 1 23 ASP H 1.800 . 6.000 4.458 4.437 4.468 . 0 0 "[ . 1 . 2]" 1
381 1 22 CYS H 1 28 SER HA 1.800 . 3.500 3.526 3.367 3.615 0.115 10 0 "[ . 1 . 2]" 1
382 1 22 CYS H 1 46 TRP HZ2 1.800 . 6.000 6.080 6.065 6.102 0.102 7 0 "[ . 1 . 2]" 1
383 1 22 CYS HB3 1 25 CYS H 1.800 . 6.000 4.283 4.006 4.412 . 0 0 "[ . 1 . 2]" 1
384 1 22 CYS HB2 1 25 CYS H 1.800 . 6.000 4.314 4.202 4.450 . 0 0 "[ . 1 . 2]" 1
385 1 22 CYS HB3 1 26 ASP HA 1.800 . 5.000 4.224 3.903 4.407 . 0 0 "[ . 1 . 2]" 1
386 1 22 CYS HB2 1 26 ASP HA 1.800 . 6.000 5.552 5.209 5.785 . 0 0 "[ . 1 . 2]" 1
387 1 22 CYS QB 1 46 TRP HE3 1.800 . 5.000 4.279 4.048 4.499 . 0 0 "[ . 1 . 2]" 1
388 1 22 CYS HB3 1 46 TRP HZ2 1.800 . 6.000 5.061 4.795 5.499 . 0 0 "[ . 1 . 2]" 1
389 1 22 CYS HB2 1 46 TRP HZ2 1.800 . 5.000 4.094 3.952 4.269 . 0 0 "[ . 1 . 2]" 1
390 1 22 CYS HB3 1 48 CYS HB3 1.800 . 5.000 2.817 2.518 3.341 . 0 0 "[ . 1 . 2]" 1
391 1 22 CYS HB2 1 48 CYS HB3 1.800 . 3.500 2.244 2.213 2.277 . 0 0 "[ . 1 . 2]" 1
392 1 23 ASP H 1 23 ASP HB3 1.800 . 3.500 3.606 3.601 3.610 0.110 1 0 "[ . 1 . 2]" 1
393 1 23 ASP H 1 23 ASP HB2 1.800 . 3.500 2.410 2.405 2.417 . 0 0 "[ . 1 . 2]" 1
394 1 22 CYS HA 1 23 ASP H 1.800 . 2.900 2.138 2.127 2.155 . 0 0 "[ . 1 . 2]" 1
395 1 22 CYS QB 1 23 ASP H 1.800 . 5.000 3.675 3.594 3.805 . 0 0 "[ . 1 . 2]" 1
396 1 23 ASP H 1 24 GLY QA 1.800 . 6.000 4.446 4.372 4.492 . 0 0 "[ . 1 . 2]" 1
397 1 23 ASP H 1 25 CYS H 1.800 . 5.000 4.700 4.608 4.831 . 0 0 "[ . 1 . 2]" 1
398 1 23 ASP H 1 46 TRP H 1.800 . 6.000 5.300 5.185 5.464 . 0 0 "[ . 1 . 2]" 1
399 1 23 ASP H 1 46 TRP HE3 1.800 . 6.000 4.379 4.333 4.445 . 0 0 "[ . 1 . 2]" 1
400 1 23 ASP H 1 47 ARG H 1.800 . 6.300 6.385 5.971 6.491 0.191 9 0 "[ . 1 . 2]" 1
401 1 23 ASP H 1 47 ARG HA 1.800 . 5.000 3.830 3.359 4.011 . 0 0 "[ . 1 . 2]" 1
402 1 23 ASP H 1 48 CYS H 1.800 . 6.000 5.063 4.696 5.243 . 0 0 "[ . 1 . 2]" 1
403 1 23 ASP QB 1 24 GLY H 1.800 . 6.000 2.697 2.684 2.713 . 0 0 "[ . 1 . 2]" 1
404 1 23 ASP H 1 24 GLY H 1.800 . 2.900 2.526 2.440 2.580 . 0 0 "[ . 1 . 2]" 1
405 1 24 GLY H 1 25 CYS H 1.800 . 2.900 2.985 2.958 3.034 0.134 20 0 "[ . 1 . 2]" 1
406 1 24 GLY H 1 48 CYS H 1.800 . 5.000 4.532 4.337 4.639 . 0 0 "[ . 1 . 2]" 1
407 1 23 ASP QB 1 24 GLY QA 1.800 . 6.000 3.644 3.635 3.653 . 0 0 "[ . 1 . 2]" 1
408 1 24 GLY QA 1 26 ASP HA 1.800 . 7.000 7.002 6.959 7.020 0.020 10 0 "[ . 1 . 2]" 1
409 1 24 GLY QA 1 47 ARG HG3 1.800 . 6.000 5.103 4.711 5.404 . 0 0 "[ . 1 . 2]" 1
410 1 24 GLY QA 1 47 ARG HG2 1.800 . 6.000 3.730 3.435 4.404 . 0 0 "[ . 1 . 2]" 1
411 1 25 CYS H 1 25 CYS HA 1.800 . 2.900 2.955 2.950 2.970 0.070 9 0 "[ . 1 . 2]" 1
412 1 25 CYS H 1 25 CYS HB3 1.800 . 3.500 3.296 3.213 3.599 0.099 9 0 "[ . 1 . 2]" 1
413 1 25 CYS HA 1 25 CYS HB3 1.800 . 2.900 2.457 2.282 2.501 . 0 0 "[ . 1 . 2]" 1
414 1 25 CYS HA 1 25 CYS HB2 1.800 . 2.900 2.454 2.400 2.690 . 0 0 "[ . 1 . 2]" 1
415 1 24 GLY QA 1 25 CYS H 1.800 . 2.900 2.552 2.509 2.567 . 0 0 "[ . 1 . 2]" 1
416 1 25 CYS H 1 27 ASP H 1.800 . 6.500 6.327 6.301 6.347 . 0 0 "[ . 1 . 2]" 1
417 1 25 CYS H 1 48 CYS H 1.800 . 5.000 4.265 4.121 4.345 . 0 0 "[ . 1 . 2]" 1
418 1 25 CYS H 1 51 CYS QB 1.800 . 5.000 4.029 3.233 4.700 . 0 0 "[ . 1 . 2]" 1
419 1 25 CYS QB 1 48 CYS H 1.800 . 6.000 6.106 6.013 6.157 0.157 20 0 "[ . 1 . 2]" 1
420 1 22 CYS HA 1 26 ASP HB3 1.800 . 5.000 5.092 5.056 5.155 0.155 3 0 "[ . 1 . 2]" 1
421 1 22 CYS HA 1 26 ASP HB2 1.800 . 5.000 4.795 4.659 4.876 . 0 0 "[ . 1 . 2]" 1
422 1 23 ASP H 1 26 ASP HB3 1.800 . 6.500 6.611 6.571 6.662 0.162 3 0 "[ . 1 . 2]" 1
423 1 23 ASP H 1 26 ASP HB2 1.800 . 6.000 6.059 5.976 6.117 0.117 10 0 "[ . 1 . 2]" 1
424 1 26 ASP HB3 1 27 ASP H 1.800 . 3.500 3.040 2.976 3.135 . 0 0 "[ . 1 . 2]" 1
425 1 26 ASP HB2 1 27 ASP H 1.800 . 5.000 4.213 4.167 4.260 . 0 0 "[ . 1 . 2]" 1
426 1 27 ASP H 1 27 ASP HB3 1.800 . 3.500 3.404 2.681 3.607 0.107 10 0 "[ . 1 . 2]" 1
427 1 27 ASP H 1 27 ASP HB2 1.800 . 2.900 2.326 2.160 2.613 . 0 0 "[ . 1 . 2]" 1
428 1 26 ASP HA 1 27 ASP H 1.800 . 2.900 2.257 2.235 2.273 . 0 0 "[ . 1 . 2]" 1
429 1 22 CYS QB 1 27 ASP H 1.800 . 5.000 4.380 4.015 4.604 . 0 0 "[ . 1 . 2]" 1
430 1 22 CYS H 1 27 ASP H 1.800 . 5.000 4.690 4.643 4.801 . 0 0 "[ . 1 . 2]" 1
431 1 25 CYS QB 1 27 ASP H 1.800 . 6.000 5.967 5.563 6.079 0.079 8 0 "[ . 1 . 2]" 1
432 1 22 CYS H 1 27 ASP HB3 1.800 . 6.000 5.639 5.533 5.700 . 0 0 "[ . 1 . 2]" 1
433 1 22 CYS H 1 27 ASP HB2 1.800 . 6.000 5.817 5.739 5.984 . 0 0 "[ . 1 . 2]" 1
434 1 27 ASP HB3 1 28 SER H 1.800 . 3.500 2.678 2.003 2.992 . 0 0 "[ . 1 . 2]" 1
435 1 27 ASP HB2 1 28 SER H 1.800 . 3.500 2.460 2.143 3.481 . 0 0 "[ . 1 . 2]" 1
436 1 27 ASP HB3 1 29 TYR QE 1.800 . 5.000 4.997 4.224 5.182 0.182 5 0 "[ . 1 . 2]" 1
437 1 27 ASP HB2 1 29 TYR QE 1.800 . 5.000 3.988 3.751 4.875 . 0 0 "[ . 1 . 2]" 1
438 1 27 ASP HB3 1 29 TYR QD 1.800 . 6.000 5.507 4.916 5.726 . 0 0 "[ . 1 . 2]" 1
439 1 27 ASP HB2 1 29 TYR QD 1.800 . 6.000 5.086 4.828 5.806 . 0 0 "[ . 1 . 2]" 1
440 1 28 SER H 1 28 SER HA 1.800 . 2.900 2.977 2.966 2.985 0.085 11 0 "[ . 1 . 2]" 1
441 1 28 SER H 1 28 SER QB 1.800 . 3.500 2.775 2.498 3.234 . 0 0 "[ . 1 . 2]" 1
442 1 21 LEU QD 1 28 SER H 1.800 . 6.000 4.559 3.924 4.812 . 0 0 "[ . 1 . 2]" 1
443 1 27 ASP HA 1 28 SER H 1.800 . 3.500 3.588 3.573 3.597 0.097 3 0 "[ . 1 . 2]" 1
444 1 8 LEU HA 1 28 SER H 1.800 . 6.000 5.193 4.854 5.498 . 0 0 "[ . 1 . 2]" 1
445 1 8 LEU QB 1 28 SER H 1.800 . 3.500 3.502 2.864 3.713 0.213 3 0 "[ . 1 . 2]" 1
446 1 8 LEU H 1 28 SER H 1.800 . 3.500 3.485 3.372 3.546 0.046 10 0 "[ . 1 . 2]" 1
447 1 9 LEU H 1 28 SER H 1.800 . 6.000 6.053 5.908 6.142 0.142 14 0 "[ . 1 . 2]" 1
448 1 19 LEU QD 1 28 SER H 1.800 . 5.000 4.456 4.316 4.706 . 0 0 "[ . 1 . 2]" 1
449 1 22 CYS H 1 28 SER H 1.800 . 5.000 4.678 4.600 4.745 . 0 0 "[ . 1 . 2]" 1
450 1 28 SER H 1 29 TYR QD 1.800 . 3.500 3.160 3.091 3.227 . 0 0 "[ . 1 . 2]" 1
451 1 28 SER H 1 29 TYR QE 1.800 . 3.500 3.097 2.965 3.335 . 0 0 "[ . 1 . 2]" 1
452 1 19 LEU QD 1 28 SER HA 1.800 . 6.000 2.634 2.245 3.318 . 0 0 "[ . 1 . 2]" 1
453 1 20 LEU QB 1 28 SER HA 1.800 . 6.000 5.427 5.325 5.527 . 0 0 "[ . 1 . 2]" 1
454 1 28 SER HA 1 29 TYR QB 1.800 . 6.000 4.186 4.142 4.235 . 0 0 "[ . 1 . 2]" 1
455 1 28 SER HA 1 29 TYR QE 1.800 . 6.000 4.929 4.798 5.188 . 0 0 "[ . 1 . 2]" 1
456 1 28 SER HA 1 29 TYR QD 1.800 . 3.500 3.285 3.212 3.431 . 0 0 "[ . 1 . 2]" 1
457 1 28 SER HA 1 29 TYR H 1.800 . 2.900 2.220 2.192 2.233 . 0 0 "[ . 1 . 2]" 1
458 1 19 LEU QB 1 28 SER QB 1.800 . 6.000 4.661 4.360 5.246 . 0 0 "[ . 1 . 2]" 1
459 1 27 ASP HA 1 28 SER QB 1.800 . 5.000 4.913 4.611 5.070 0.070 16 0 "[ . 1 . 2]" 1
460 1 5 TYR HA 1 28 SER QB 1.800 . 5.000 4.130 3.430 4.876 . 0 0 "[ . 1 . 2]" 1
461 1 5 TYR QD 1 28 SER QB 1.800 . 5.000 3.423 2.239 4.802 . 0 0 "[ . 1 . 2]" 1
462 1 28 SER QB 1 29 TYR H 1.800 . 3.500 3.179 3.027 3.581 0.081 12 0 "[ . 1 . 2]" 1
463 1 29 TYR H 1 29 TYR HA 1.800 . 2.900 2.941 2.932 2.955 0.055 4 0 "[ . 1 . 2]" 1
464 1 29 TYR H 1 29 TYR QB 1.800 . 2.900 2.746 2.705 2.771 . 0 0 "[ . 1 . 2]" 1
465 1 29 TYR H 1 29 TYR QD 1.800 . 3.500 3.212 3.149 3.340 . 0 0 "[ . 1 . 2]" 1
466 1 29 TYR H 1 29 TYR QE 1.800 . 6.000 5.323 5.252 5.466 . 0 0 "[ . 1 . 2]" 1
467 1 29 TYR HA 1 29 TYR QD 1.800 . 3.500 3.011 2.983 3.041 . 0 0 "[ . 1 . 2]" 1
468 1 29 TYR QB 1 29 TYR QD 1.800 . 2.900 2.144 2.139 2.149 . 0 0 "[ . 1 . 2]" 1
469 1 19 LEU QD 1 29 TYR H 1.800 . 2.900 2.001 1.767 2.271 0.033 11 0 "[ . 1 . 2]" 1
470 1 29 TYR H 1 30 HIS QB 1.800 . 6.000 5.867 5.839 5.896 . 0 0 "[ . 1 . 2]" 1
471 1 8 LEU QD 1 29 TYR H 1.800 . 6.000 5.660 5.061 6.092 0.092 4 0 "[ . 1 . 2]" 1
472 1 20 LEU HA 1 29 TYR H 1.800 . 6.000 4.756 4.707 4.845 . 0 0 "[ . 1 . 2]" 1
473 1 20 LEU QB 1 29 TYR H 1.800 . 6.000 4.427 4.322 4.497 . 0 0 "[ . 1 . 2]" 1
474 1 20 LEU QD 1 29 TYR H 1.800 . 3.500 2.861 2.759 2.984 . 0 0 "[ . 1 . 2]" 1
475 1 28 SER H 1 29 TYR H 1.800 . 5.000 4.379 4.346 4.399 . 0 0 "[ . 1 . 2]" 1
476 1 29 TYR H 1 30 HIS H 1.800 . 5.000 4.403 4.385 4.419 . 0 0 "[ . 1 . 2]" 1
477 1 9 LEU QB 1 29 TYR HA 1.800 . 5.000 4.609 4.310 4.703 . 0 0 "[ . 1 . 2]" 1
478 1 19 LEU QD 1 29 TYR HA 1.800 . 3.500 3.394 2.901 3.790 0.290 20 0 "[ . 1 . 2]" 1
479 1 20 LEU QB 1 29 TYR HA 1.800 . 6.500 6.350 6.245 6.433 . 0 0 "[ . 1 . 2]" 1
480 1 28 SER QB 1 29 TYR HA 1.800 . 5.000 4.071 3.917 4.699 . 0 0 "[ . 1 . 2]" 1
481 1 29 TYR HA 1 30 HIS H 1.800 . 2.900 2.406 2.385 2.439 . 0 0 "[ . 1 . 2]" 1
482 1 29 TYR HA 1 34 LEU QD 1.800 . 6.000 4.085 3.998 4.191 . 0 0 "[ . 1 . 2]" 1
483 1 20 LEU QD 1 29 TYR QB 1.800 . 6.000 2.323 2.197 2.461 . 0 0 "[ . 1 . 2]" 1
484 1 29 TYR QB 1 30 HIS H 1.800 . 6.000 2.531 2.443 2.620 . 0 0 "[ . 1 . 2]" 1
485 1 29 TYR QB 1 34 LEU QD 1.800 . 2.900 2.033 1.974 2.118 . 0 0 "[ . 1 . 2]" 1
486 1 29 TYR QB 1 34 LEU HG 1.800 . 3.500 2.340 2.229 2.481 . 0 0 "[ . 1 . 2]" 1
487 1 29 TYR QB 1 46 TRP HH2 1.800 . 3.500 3.075 2.813 3.285 . 0 0 "[ . 1 . 2]" 1
488 1 9 LEU QD 1 29 TYR QD 1.800 . 2.900 2.232 2.056 2.296 . 0 0 "[ . 1 . 2]" 1
489 1 22 CYS H 1 29 TYR QD 1.800 . 6.000 3.636 3.506 3.755 . 0 0 "[ . 1 . 2]" 1
490 1 29 TYR QD 1 34 LEU QD 1.800 . 2.900 2.971 2.923 3.019 0.119 9 0 "[ . 1 . 2]" 1
491 1 29 TYR QD 1 49 PRO HD3 1.800 . 6.000 6.055 6.014 6.111 0.111 16 0 "[ . 1 . 2]" 1
492 1 29 TYR QD 1 49 PRO HD2 1.800 . 6.000 5.709 5.573 5.799 . 0 0 "[ . 1 . 2]" 1
493 1 8 LEU QD 1 29 TYR QE 1.800 . 2.900 2.891 2.418 2.992 0.092 20 0 "[ . 1 . 2]" 1
494 1 9 LEU QD 1 29 TYR QE 1.800 . 2.900 2.357 2.186 2.453 . 0 0 "[ . 1 . 2]" 1
495 1 9 LEU HG 1 29 TYR QE 1.800 . 2.900 2.424 2.260 2.561 . 0 0 "[ . 1 . 2]" 1
496 1 27 ASP HA 1 29 TYR QE 1.800 . 5.000 4.740 4.489 5.034 0.034 3 0 "[ . 1 . 2]" 1
497 1 27 ASP QB 1 29 TYR QE 1.800 . 5.000 3.784 3.660 4.131 . 0 0 "[ . 1 . 2]" 1
498 1 29 TYR QE 1 48 CYS QB 1.800 . 5.000 4.485 4.320 4.587 . 0 0 "[ . 1 . 2]" 1
499 1 30 HIS H 1 30 HIS HA 1.800 . 2.900 2.974 2.972 2.977 0.077 8 0 "[ . 1 . 2]" 1
500 1 30 HIS H 1 30 HIS HB3 1.800 . 3.500 3.605 3.591 3.737 0.237 12 0 "[ . 1 . 2]" 1
501 1 30 HIS HA 1 30 HIS HD2 1.800 . 3.500 2.582 2.522 2.897 . 0 0 "[ . 1 . 2]" 1
502 1 30 HIS HB3 1 30 HIS HD2 1.800 . 3.500 3.142 2.954 3.176 . 0 0 "[ . 1 . 2]" 1
503 1 7 CYS HB3 1 30 HIS H 1.800 . 5.000 4.882 4.775 4.930 . 0 0 "[ . 1 . 2]" 1
504 1 7 CYS HB2 1 30 HIS H 1.800 . 3.500 3.548 3.488 3.592 0.092 13 0 "[ . 1 . 2]" 1
505 1 19 LEU QB 1 30 HIS H 1.800 . 6.300 6.089 5.876 6.395 0.095 6 0 "[ . 1 . 2]" 1
506 1 20 LEU H 1 30 HIS H 1.800 . 5.000 4.645 4.599 4.684 . 0 0 "[ . 1 . 2]" 1
507 1 29 TYR QD 1 30 HIS H 1.800 . 3.500 3.547 3.438 3.677 0.177 12 0 "[ . 1 . 2]" 1
508 1 29 TYR QE 1 30 HIS H 1.800 . 6.000 5.668 5.545 5.802 . 0 0 "[ . 1 . 2]" 1
509 1 30 HIS H 1 31 THR H 1.800 . 5.000 4.554 4.532 4.571 . 0 0 "[ . 1 . 2]" 1
510 1 30 HIS H 1 33 CYS QB 1.800 . 5.000 2.200 2.063 3.908 . 0 0 "[ . 1 . 2]" 1
511 1 30 HIS H 1 33 CYS H 1.800 . 3.500 3.550 3.525 3.633 0.133 12 0 "[ . 1 . 2]" 1
512 1 30 HIS H 1 34 LEU QD 1.800 . 3.500 3.425 3.289 3.532 0.032 20 0 "[ . 1 . 2]" 1
513 1 19 LEU HG 1 30 HIS HA 1.800 . 6.000 4.788 3.754 6.047 0.047 6 0 "[ . 1 . 2]" 1
514 1 30 HIS HA 1 31 THR H 1.800 . 2.900 2.316 2.291 2.334 . 0 0 "[ . 1 . 2]" 1
515 1 19 LEU QD 1 30 HIS HB3 1.800 . 6.000 5.071 4.434 5.674 . 0 0 "[ . 1 . 2]" 1
516 1 19 LEU QD 1 30 HIS HB2 1.800 . 6.000 4.862 4.290 5.488 . 0 0 "[ . 1 . 2]" 1
517 1 30 HIS QB 1 31 THR H 1.800 . 6.000 2.825 2.680 2.849 . 0 0 "[ . 1 . 2]" 1
518 1 30 HIS HB3 1 32 PHE QE 1.800 . 6.000 2.876 2.834 2.891 . 0 0 "[ . 1 . 2]" 1
519 1 30 HIS HB2 1 32 PHE QE 1.800 . 6.000 3.210 2.728 3.276 . 0 0 "[ . 1 . 2]" 1
520 1 30 HIS QB 1 32 PHE QD 1.800 . 3.500 3.026 2.928 3.049 . 0 0 "[ . 1 . 2]" 1
521 1 30 HIS HB3 1 32 PHE H 1.800 . 3.500 2.492 2.453 2.627 . 0 0 "[ . 1 . 2]" 1
522 1 30 HIS HB2 1 32 PHE H 1.800 . 3.500 3.592 3.232 3.631 0.131 6 0 "[ . 1 . 2]" 1
523 1 30 HIS HB3 1 33 CYS HB3 1.800 . 5.000 5.181 5.052 5.212 0.212 2 0 "[ . 1 . 2]" 1
524 1 30 HIS HB2 1 33 CYS HB3 1.800 . 3.500 3.607 3.485 3.620 0.120 2 0 "[ . 1 . 2]" 1
525 1 30 HIS HB3 1 33 CYS H 1.800 . 3.500 2.753 2.663 3.357 . 0 0 "[ . 1 . 2]" 1
526 1 30 HIS HB2 1 33 CYS H 1.800 . 3.500 2.396 2.363 2.466 . 0 0 "[ . 1 . 2]" 1
527 1 7 CYS QB 1 30 HIS HD2 1.800 . 6.000 4.159 3.960 4.304 . 0 0 "[ . 1 . 2]" 1
528 1 19 LEU QB 1 30 HIS HD2 1.800 . 5.000 3.093 2.698 3.286 . 0 0 "[ . 1 . 2]" 1
529 1 19 LEU QD 1 30 HIS HD2 1.800 . 6.000 3.441 2.710 4.147 . 0 0 "[ . 1 . 2]" 1
530 1 30 HIS HD2 1 31 THR H 1.800 . 6.000 3.822 3.750 4.210 . 0 0 "[ . 1 . 2]" 1
531 1 30 HIS HD2 1 32 PHE HZ 1.800 . 3.500 3.531 3.435 3.566 0.066 6 0 "[ . 1 . 2]" 1
532 1 30 HIS HD2 1 32 PHE QD 1.800 . 6.000 5.134 5.099 5.310 . 0 0 "[ . 1 . 2]" 1
533 1 30 HIS HD2 1 32 PHE QE 1.800 . 5.000 3.486 3.429 3.671 . 0 0 "[ . 1 . 2]" 1
534 1 7 CYS HA 1 30 HIS HE1 1.800 . 6.000 5.158 4.911 5.217 . 0 0 "[ . 1 . 2]" 1
535 1 12 SER HA 1 30 HIS HE1 1.800 . 7.000 5.611 5.313 5.686 . 0 0 "[ . 1 . 2]" 1
536 1 12 SER QB 1 30 HIS HE1 1.800 . 6.000 3.235 3.043 3.476 . 0 0 "[ . 1 . 2]" 1
537 1 19 LEU HA 1 30 HIS HE1 1.800 . 6.000 5.494 5.331 5.584 . 0 0 "[ . 1 . 2]" 1
538 1 19 LEU MD1 1 30 HIS HE1 1.800 . 6.000 4.613 3.251 5.906 . 0 0 "[ . 1 . 2]" 1
539 1 19 LEU MD2 1 30 HIS HE1 1.800 . 6.000 4.822 3.204 6.010 0.010 20 0 "[ . 1 . 2]" 1
540 1 19 LEU H 1 30 HIS HE1 1.800 . 6.300 6.471 6.449 6.506 0.206 1 0 "[ . 1 . 2]" 1
541 1 31 THR H 1 31 THR HA 1.800 . 2.900 2.829 2.826 2.835 . 0 0 "[ . 1 . 2]" 1
542 1 31 THR H 1 31 THR HG1 1.800 . 2.900 2.289 1.949 2.385 . 0 0 "[ . 1 . 2]" 1
543 1 31 THR HB 1 31 THR HG1 1.800 . 2.900 2.020 1.875 2.079 . 0 0 "[ . 1 . 2]" 1
544 1 31 THR HA 1 31 THR HG1 1.800 . 2.900 2.801 2.263 2.921 0.021 16 0 "[ . 1 . 2]" 1
545 1 18 ARG HA 1 31 THR H 1.800 . 5.000 3.499 3.361 3.612 . 0 0 "[ . 1 . 2]" 1
546 1 19 LEU HA 1 31 THR H 1.800 . 5.000 4.141 3.990 4.354 . 0 0 "[ . 1 . 2]" 1
547 1 19 LEU QD 1 31 THR H 1.800 . 6.000 5.128 4.777 5.464 . 0 0 "[ . 1 . 2]" 1
548 1 19 LEU H 1 31 THR H 1.800 . 6.000 5.169 5.035 5.245 . 0 0 "[ . 1 . 2]" 1
549 1 20 LEU HA 1 31 THR H 1.800 . 6.300 6.372 6.332 6.400 0.100 18 0 "[ . 1 . 2]" 1
550 1 20 LEU H 1 31 THR H 1.800 . 6.000 4.185 4.131 4.246 . 0 0 "[ . 1 . 2]" 1
551 1 30 HIS HB3 1 31 THR H 1.800 . 5.000 2.883 2.735 2.909 . 0 0 "[ . 1 . 2]" 1
552 1 30 HIS HB2 1 31 THR H 1.800 . 5.000 4.048 3.842 4.074 . 0 0 "[ . 1 . 2]" 1
553 1 31 THR H 1 32 PHE QB 1.800 . 6.000 5.178 5.154 5.193 . 0 0 "[ . 1 . 2]" 1
554 1 31 THR H 1 32 PHE H 1.800 . 2.900 2.750 2.731 2.760 . 0 0 "[ . 1 . 2]" 1
555 1 31 THR H 1 33 CYS H 1.800 . 5.000 4.118 4.081 4.375 . 0 0 "[ . 1 . 2]" 1
556 1 31 THR H 1 34 LEU H 1.800 . 6.000 5.319 5.242 5.371 . 0 0 "[ . 1 . 2]" 1
557 1 31 THR H 1 34 LEU QD 1.800 . 5.000 4.057 3.841 4.148 . 0 0 "[ . 1 . 2]" 1
558 1 30 HIS QB 1 31 THR HA 1.800 . 5.000 4.530 4.514 4.539 . 0 0 "[ . 1 . 2]" 1
559 1 31 THR HA 1 32 PHE H 1.800 . 6.000 3.542 3.536 3.548 . 0 0 "[ . 1 . 2]" 1
560 1 31 THR HA 1 34 LEU QB 1.800 . 3.500 3.126 2.887 3.230 . 0 0 "[ . 1 . 2]" 1
561 1 31 THR HA 1 34 LEU QD 1.800 . 2.900 2.704 2.556 2.773 . 0 0 "[ . 1 . 2]" 1
562 1 31 THR HA 1 38 LEU H 1.800 . 3.500 3.520 3.436 3.565 0.065 12 0 "[ . 1 . 2]" 1
563 1 30 HIS QB 1 31 THR HB 1.800 . 5.000 4.909 4.858 5.083 0.083 12 0 "[ . 1 . 2]" 1
564 1 31 THR HB 1 32 PHE H 1.800 . 5.000 3.903 3.859 4.166 . 0 0 "[ . 1 . 2]" 1
565 1 31 THR HB 1 38 LEU H 1.800 . 6.000 3.649 3.340 3.763 . 0 0 "[ . 1 . 2]" 1
566 1 31 THR HB 1 38 LEU QB 1.800 . 3.500 3.368 2.764 3.504 0.004 4 0 "[ . 1 . 2]" 1
567 1 31 THR HB 1 40 ASP HA 1.800 . 5.000 5.046 5.006 5.082 0.082 11 0 "[ . 1 . 2]" 1
568 1 31 THR HB 1 41 VAL QG 1.800 . 5.000 3.869 3.287 5.009 0.009 9 0 "[ . 1 . 2]" 1
569 1 18 ARG QD 1 31 THR MG 1.800 . 3.500 2.029 1.946 2.088 . 0 0 "[ . 1 . 2]" 1
570 1 19 LEU H 1 31 THR MG 1.800 . 6.000 5.772 5.023 5.891 . 0 0 "[ . 1 . 2]" 1
571 1 20 LEU MD1 1 31 THR MG 1.800 . 5.000 4.441 3.870 4.568 . 0 0 "[ . 1 . 2]" 1
572 1 20 LEU MD2 1 31 THR MG 1.800 . 5.000 3.862 3.329 4.006 . 0 0 "[ . 1 . 2]" 1
573 1 30 HIS HA 1 31 THR MG 1.800 . 6.000 4.178 3.722 4.298 . 0 0 "[ . 1 . 2]" 1
574 1 30 HIS HD2 1 31 THR MG 1.800 . 6.000 4.747 4.593 4.888 . 0 0 "[ . 1 . 2]" 1
575 1 31 THR MG 1 32 PHE QB 1.800 . 3.500 2.923 2.879 3.357 . 0 0 "[ . 1 . 2]" 1
576 1 31 THR MG 1 38 LEU H 1.800 . 6.000 3.061 2.932 3.485 . 0 0 "[ . 1 . 2]" 1
577 1 31 THR MG 1 40 ASP HA 1.800 . 5.000 4.508 4.255 4.580 . 0 0 "[ . 1 . 2]" 1
578 1 32 PHE H 1 32 PHE HA 1.800 . 2.900 2.925 2.906 2.930 0.030 16 0 "[ . 1 . 2]" 1
579 1 32 PHE H 1 32 PHE QD 1.800 . 2.900 2.362 2.318 2.668 . 0 0 "[ . 1 . 2]" 1
580 1 32 PHE H 1 32 PHE QE 1.800 . 5.000 3.705 3.672 3.878 . 0 0 "[ . 1 . 2]" 1
581 1 32 PHE H 1 32 PHE HZ 1.800 . 5.000 4.896 4.861 4.953 . 0 0 "[ . 1 . 2]" 1
582 1 32 PHE H 1 32 PHE HB3 1.800 . 3.500 2.926 2.907 2.940 . 0 0 "[ . 1 . 2]" 1
583 1 32 PHE H 1 32 PHE HB2 1.800 . 3.500 3.606 3.602 3.610 0.110 12 0 "[ . 1 . 2]" 1
584 1 32 PHE HA 1 32 PHE HB3 1.800 . 2.900 2.365 2.351 2.369 . 0 0 "[ . 1 . 2]" 1
585 1 32 PHE HA 1 32 PHE HB2 1.800 . 2.900 2.557 2.550 2.564 . 0 0 "[ . 1 . 2]" 1
586 1 32 PHE HB3 1 32 PHE QD 1.800 . 2.900 2.382 2.322 2.391 . 0 0 "[ . 1 . 2]" 1
587 1 32 PHE HB2 1 32 PHE QD 1.800 . 2.900 2.450 2.439 2.534 . 0 0 "[ . 1 . 2]" 1
588 1 18 ARG QD 1 32 PHE H 1.800 . 5.000 4.442 4.354 4.577 . 0 0 "[ . 1 . 2]" 1
589 1 18 ARG QG 1 32 PHE H 1.800 . 5.000 4.934 4.788 5.012 0.012 19 0 "[ . 1 . 2]" 1
590 1 30 HIS HA 1 32 PHE H 1.800 . 5.000 4.088 4.066 4.113 . 0 0 "[ . 1 . 2]" 1
591 1 30 HIS H 1 32 PHE H 1.800 . 5.000 5.023 4.963 5.039 0.039 2 0 "[ . 1 . 2]" 1
592 1 30 HIS QB 1 32 PHE H 1.800 . 5.000 2.447 2.415 2.518 . 0 0 "[ . 1 . 2]" 1
593 1 31 THR HG1 1 32 PHE H 1.800 . 5.000 2.079 1.895 2.124 . 0 0 "[ . 1 . 2]" 1
594 1 32 PHE H 1 33 CYS H 1.800 . 2.900 2.475 2.455 2.630 . 0 0 "[ . 1 . 2]" 1
595 1 32 PHE H 1 33 CYS QB 1.800 . 5.000 4.543 4.495 5.031 0.031 12 0 "[ . 1 . 2]" 1
596 1 32 PHE H 1 34 LEU H 1.800 . 5.000 4.002 3.967 4.053 . 0 0 "[ . 1 . 2]" 1
597 1 32 PHE HB3 1 37 PRO HB3 1.800 . 6.000 3.170 3.053 3.265 . 0 0 "[ . 1 . 2]" 1
598 1 32 PHE HB2 1 37 PRO HB3 1.800 . 6.000 4.624 4.505 4.682 . 0 0 "[ . 1 . 2]" 1
599 1 32 PHE HB3 1 37 PRO HB2 1.800 . 6.000 4.644 4.534 4.873 . 0 0 "[ . 1 . 2]" 1
600 1 32 PHE HB2 1 37 PRO HB2 1.800 . 6.000 5.894 5.754 5.965 . 0 0 "[ . 1 . 2]" 1
601 1 15 ASP QB 1 32 PHE QE 1.800 . 3.500 3.343 3.059 3.516 0.016 2 0 "[ . 1 . 2]" 1
602 1 30 HIS QB 1 32 PHE QE 1.800 . 6.000 2.680 2.474 2.704 . 0 0 "[ . 1 . 2]" 1
603 1 12 SER QB 1 32 PHE HZ 1.800 . 6.000 5.794 5.108 5.997 . 0 0 "[ . 1 . 2]" 1
604 1 18 ARG QB 1 32 PHE HZ 1.800 . 6.000 3.531 3.474 3.585 . 0 0 "[ . 1 . 2]" 1
605 1 30 HIS QB 1 32 PHE HZ 1.800 . 6.000 2.949 2.805 2.971 . 0 0 "[ . 1 . 2]" 1
606 1 33 CYS H 1 33 CYS HA 1.800 . 2.900 2.930 2.922 2.949 0.049 12 0 "[ . 1 . 2]" 1
607 1 33 CYS HA 1 33 CYS HB3 1.800 . 2.900 2.485 2.397 2.497 . 0 0 "[ . 1 . 2]" 1
608 1 33 CYS HA 1 33 CYS HB2 1.800 . 2.900 2.991 2.516 3.017 0.117 6 0 "[ . 1 . 2]" 1
609 1 33 CYS H 1 33 CYS HB3 1.800 . 3.500 3.568 2.932 3.607 0.107 8 0 "[ . 1 . 2]" 1
610 1 33 CYS H 1 33 CYS HB2 1.800 . 3.500 2.470 2.394 3.661 0.161 12 0 "[ . 1 . 2]" 1
611 1 30 HIS HA 1 33 CYS H 1.800 . 5.000 4.281 4.246 4.541 . 0 0 "[ . 1 . 2]" 1
612 1 30 HIS QB 1 33 CYS H 1.800 . 2.900 2.253 2.213 2.347 . 0 0 "[ . 1 . 2]" 1
613 1 32 PHE HA 1 33 CYS H 1.800 . 3.500 3.493 3.463 3.564 0.064 12 0 "[ . 1 . 2]" 1
614 1 32 PHE QD 1 33 CYS H 1.800 . 3.500 3.046 2.517 3.186 . 0 0 "[ . 1 . 2]" 1
615 1 32 PHE QE 1 33 CYS H 1.800 . 5.000 4.078 3.741 4.193 . 0 0 "[ . 1 . 2]" 1
616 1 32 PHE HB3 1 33 CYS H 1.800 . 5.000 4.302 4.280 4.343 . 0 0 "[ . 1 . 2]" 1
617 1 32 PHE HB2 1 33 CYS H 1.800 . 5.000 3.876 3.805 3.954 . 0 0 "[ . 1 . 2]" 1
618 1 33 CYS H 1 34 LEU H 1.800 . 2.900 2.484 2.446 2.499 . 0 0 "[ . 1 . 2]" 1
619 1 33 CYS H 1 34 LEU HA 1.800 . 5.000 5.016 4.960 5.037 0.037 5 0 "[ . 1 . 2]" 1
620 1 33 CYS H 1 37 PRO QB 1.800 . 6.000 5.954 5.919 6.058 0.058 12 0 "[ . 1 . 2]" 1
621 1 33 CYS H 1 37 PRO QG 1.800 . 6.000 5.447 5.411 5.567 . 0 0 "[ . 1 . 2]" 1
622 1 9 LEU QD 1 33 CYS HA 1.800 . 3.500 3.375 3.327 3.579 0.079 12 0 "[ . 1 . 2]" 1
623 1 33 CYS HA 1 34 LEU H 1.800 . 3.500 3.296 3.281 3.306 . 0 0 "[ . 1 . 2]" 1
624 1 9 LEU H 1 33 CYS QB 1.800 . 6.000 4.311 4.211 4.844 . 0 0 "[ . 1 . 2]" 1
625 1 9 LEU QD 1 33 CYS HB3 1.800 . 3.500 2.059 1.982 3.409 . 0 0 "[ . 1 . 2]" 1
626 1 9 LEU QD 1 33 CYS HB2 1.800 . 2.900 2.899 2.050 2.984 0.084 20 0 "[ . 1 . 2]" 1
627 1 9 LEU HG 1 33 CYS HB3 1.800 . 6.000 3.750 3.606 5.513 . 0 0 "[ . 1 . 2]" 1
628 1 9 LEU HG 1 33 CYS HB2 1.800 . 6.000 4.440 4.137 4.527 . 0 0 "[ . 1 . 2]" 1
629 1 30 HIS H 1 33 CYS HB3 1.800 . 5.000 3.646 3.536 4.395 . 0 0 "[ . 1 . 2]" 1
630 1 30 HIS H 1 33 CYS HB2 1.800 . 6.000 2.238 2.077 4.378 . 0 0 "[ . 1 . 2]" 1
631 1 33 CYS HB3 1 34 LEU H 1.800 . 5.000 4.221 4.198 4.463 . 0 0 "[ . 1 . 2]" 1
632 1 33 CYS HB2 1 34 LEU H 1.800 . 5.000 3.512 3.461 4.245 . 0 0 "[ . 1 . 2]" 1
633 1 34 LEU H 1 34 LEU HA 1.800 . 2.900 2.962 2.948 2.966 0.066 20 0 "[ . 1 . 2]" 1
634 1 34 LEU H 1 34 LEU HB2 1.800 . 2.900 2.218 2.205 2.239 . 0 0 "[ . 1 . 2]" 1
635 1 34 LEU H 1 34 LEU HB3 1.800 . 3.500 3.511 3.499 3.527 0.027 17 0 "[ . 1 . 2]" 1
636 1 34 LEU H 1 34 LEU MD1 1.800 . 3.500 3.468 3.414 3.493 . 0 0 "[ . 1 . 2]" 1
637 1 34 LEU H 1 34 LEU MD2 1.800 . 5.000 4.273 4.234 4.317 . 0 0 "[ . 1 . 2]" 1
638 1 34 LEU HB3 1 34 LEU MD1 1.800 . 2.900 2.589 2.565 2.619 . 0 0 "[ . 1 . 2]" 1
639 1 34 LEU HB2 1 34 LEU MD2 1.800 . 2.900 3.115 3.091 3.127 0.227 17 0 "[ . 1 . 2]" 1
640 1 34 LEU HA 1 34 LEU HG 1.800 . 3.500 2.288 2.264 2.324 . 0 0 "[ . 1 . 2]" 1
641 1 34 LEU H 1 34 LEU HG 1.800 . 3.500 3.230 3.163 3.319 . 0 0 "[ . 1 . 2]" 1
642 1 34 LEU HA 1 34 LEU MD1 1.800 . 3.500 3.680 3.671 3.690 0.190 7 0 "[ . 1 . 2]" 1
643 1 34 LEU HA 1 34 LEU MD2 1.800 . 3.500 2.390 2.330 2.439 . 0 0 "[ . 1 . 2]" 1
644 1 9 LEU QD 1 34 LEU H 1.800 . 5.000 4.281 3.865 4.331 . 0 0 "[ . 1 . 2]" 1
645 1 29 TYR QD 1 34 LEU H 1.800 . 6.000 5.256 4.961 5.405 . 0 0 "[ . 1 . 2]" 1
646 1 30 HIS QB 1 34 LEU H 1.800 . 5.000 4.239 4.183 4.307 . 0 0 "[ . 1 . 2]" 1
647 1 30 HIS H 1 34 LEU H 1.800 . 5.000 4.599 4.536 4.661 . 0 0 "[ . 1 . 2]" 1
648 1 31 THR HA 1 34 LEU H 1.800 . 5.000 4.020 3.879 4.052 . 0 0 "[ . 1 . 2]" 1
649 1 32 PHE HA 1 34 LEU H 1.800 . 5.000 3.553 3.513 3.749 . 0 0 "[ . 1 . 2]" 1
650 1 32 PHE QB 1 34 LEU H 1.800 . 5.000 4.648 4.611 4.741 . 0 0 "[ . 1 . 2]" 1
651 1 34 LEU H 1 35 ILE H 1.800 . 3.500 3.235 3.219 3.288 . 0 0 "[ . 1 . 2]" 1
652 1 34 LEU H 1 37 PRO HA 1.800 . 5.000 4.849 4.781 4.891 . 0 0 "[ . 1 . 2]" 1
653 1 34 LEU H 1 37 PRO QB 1.800 . 6.000 6.075 6.057 6.087 0.087 3 0 "[ . 1 . 2]" 1
654 1 34 LEU H 1 38 LEU H 1.800 . 6.000 5.872 5.740 5.985 . 0 0 "[ . 1 . 2]" 1
655 1 31 THR HG1 1 34 LEU QB 1.800 . 6.000 4.568 4.031 4.789 . 0 0 "[ . 1 . 2]" 1
656 1 33 CYS H 1 34 LEU QB 1.800 . 6.000 4.117 4.080 4.162 . 0 0 "[ . 1 . 2]" 1
657 1 34 LEU HB3 1 35 ILE H 1.800 . 3.500 1.844 1.816 1.873 . 0 0 "[ . 1 . 2]" 1
658 1 34 LEU HB2 1 35 ILE H 1.800 . 6.000 2.180 2.157 2.216 . 0 0 "[ . 1 . 2]" 1
659 1 34 LEU HB3 1 36 PRO QD 1.800 . 6.000 5.841 5.816 5.859 . 0 0 "[ . 1 . 2]" 1
660 1 34 LEU HB2 1 36 PRO QD 1.800 . 6.500 6.363 6.331 6.405 . 0 0 "[ . 1 . 2]" 1
661 1 34 LEU HB3 1 37 PRO HA 1.800 . 6.000 6.040 6.008 6.080 0.080 14 0 "[ . 1 . 2]" 1
662 1 34 LEU HB2 1 37 PRO HA 1.800 . 5.000 4.901 4.872 4.927 . 0 0 "[ . 1 . 2]" 1
663 1 34 LEU HB3 1 38 LEU H 1.800 . 6.000 6.198 6.125 6.234 0.234 15 0 "[ . 1 . 2]" 1
664 1 34 LEU HB2 1 38 LEU H 1.800 . 6.000 5.163 5.077 5.242 . 0 0 "[ . 1 . 2]" 1
665 1 29 TYR QD 1 34 LEU HG 1.800 . 3.500 2.845 2.510 3.021 . 0 0 "[ . 1 . 2]" 1
666 1 29 TYR QE 1 34 LEU HG 1.800 . 5.000 4.803 4.432 5.009 0.009 13 0 "[ . 1 . 2]" 1
667 1 29 TYR QB 1 34 LEU MD1 1.800 . 3.500 2.073 2.008 2.161 . 0 0 "[ . 1 . 2]" 1
668 1 29 TYR QB 1 34 LEU MD2 1.800 . 3.500 2.946 2.794 3.087 . 0 0 "[ . 1 . 2]" 1
669 1 34 LEU QD 1 36 PRO QD 1.800 . 6.000 5.991 5.961 6.012 0.012 8 0 "[ . 1 . 2]" 1
670 1 34 LEU QD 1 37 PRO HA 1.800 . 6.000 5.385 5.353 5.425 . 0 0 "[ . 1 . 2]" 1
671 1 34 LEU QD 1 38 LEU H 1.800 . 5.000 5.073 5.018 5.116 0.116 15 0 "[ . 1 . 2]" 1
672 1 34 LEU QD 1 46 TRP HE1 1.800 . 6.000 3.740 3.387 3.907 . 0 0 "[ . 1 . 2]" 1
673 1 34 LEU MD1 1 46 TRP HZ2 1.800 . 2.900 2.481 2.306 2.622 . 0 0 "[ . 1 . 2]" 1
674 1 34 LEU MD2 1 46 TRP HZ2 1.800 . 2.900 2.570 2.340 2.770 . 0 0 "[ . 1 . 2]" 1
675 1 34 LEU QD 1 46 TRP HH2 1.800 . 3.500 2.846 2.746 2.987 . 0 0 "[ . 1 . 2]" 1
676 1 35 ILE H 1 35 ILE HA 1.800 . 2.900 2.983 2.981 2.985 0.085 15 0 "[ . 1 . 2]" 1
677 1 35 ILE H 1 35 ILE MG 1.800 . 3.500 2.313 2.160 2.845 . 0 0 "[ . 1 . 2]" 1
678 1 35 ILE HA 1 35 ILE MG 1.800 . 3.500 2.783 2.694 3.069 . 0 0 "[ . 1 . 2]" 1
679 1 35 ILE HA 1 35 ILE MD 1.800 . 5.000 3.927 3.294 4.132 . 0 0 "[ . 1 . 2]" 1
680 1 35 ILE H 1 35 ILE MD 1.800 . 5.000 3.729 1.746 3.985 0.054 8 0 "[ . 1 . 2]" 1
681 1 35 ILE HB 1 35 ILE MD 1.800 . 3.500 2.376 2.114 3.201 . 0 0 "[ . 1 . 2]" 1
682 1 35 ILE MD 1 35 ILE QG 1.800 . 2.900 1.903 1.878 1.912 . 0 0 "[ . 1 . 2]" 1
683 1 35 ILE QG 1 35 ILE MG 1.800 . 2.900 2.269 2.103 2.329 . 0 0 "[ . 1 . 2]" 1
684 1 35 ILE HA 1 35 ILE HG12 1.800 . 3.500 3.591 3.327 3.668 0.168 17 0 "[ . 1 . 2]" 1
685 1 35 ILE H 1 35 ILE HG13 1.800 . 5.000 4.038 3.924 4.398 . 0 0 "[ . 1 . 2]" 1
686 1 35 ILE H 1 35 ILE HG12 1.800 . 6.000 3.169 2.643 4.892 . 0 0 "[ . 1 . 2]" 1
687 1 9 LEU QD 1 35 ILE H 1.800 . 6.000 5.913 5.465 5.970 . 0 0 "[ . 1 . 2]" 1
688 1 34 LEU HA 1 35 ILE H 1.800 . 5.000 3.406 3.397 3.422 . 0 0 "[ . 1 . 2]" 1
689 1 34 LEU QB 1 35 ILE H 1.800 . 2.900 1.750 1.736 1.767 0.064 3 0 "[ . 1 . 2]" 1
690 1 35 ILE H 1 36 PRO HA 1.800 . 6.000 5.531 5.512 5.549 . 0 0 "[ . 1 . 2]" 1
691 1 35 ILE H 1 37 PRO QD 1.800 . 5.000 5.102 5.080 5.125 0.125 14 0 "[ . 1 . 2]" 1
692 1 35 ILE HA 1 36 PRO QB 1.800 . 6.000 4.980 4.956 5.008 . 0 0 "[ . 1 . 2]" 1
693 1 35 ILE HA 1 37 PRO QD 1.800 . 5.000 4.919 4.813 4.984 . 0 0 "[ . 1 . 2]" 1
694 1 35 ILE HB 1 36 PRO HA 1.800 . 6.000 5.591 5.438 6.153 0.153 10 0 "[ . 1 . 2]" 1
695 1 35 ILE HG13 1 36 PRO HA 1.800 . 6.000 4.639 4.247 5.998 . 0 0 "[ . 1 . 2]" 1
696 1 35 ILE HG12 1 36 PRO HA 1.800 . 6.000 5.094 4.258 5.870 . 0 0 "[ . 1 . 2]" 1
697 1 35 ILE MG 1 36 PRO HA 1.800 . 6.000 5.454 3.896 5.880 . 0 0 "[ . 1 . 2]" 1
698 1 36 PRO HA 1 36 PRO HB3 1.800 . 2.900 2.342 2.331 2.346 . 0 0 "[ . 1 . 2]" 1
699 1 35 ILE HA 1 36 PRO HA 1.800 . 6.000 4.496 4.477 4.507 . 0 0 "[ . 1 . 2]" 1
700 1 35 ILE QG 1 36 PRO HA 1.800 . 5.000 3.929 3.787 4.091 . 0 0 "[ . 1 . 2]" 1
701 1 36 PRO HA 1 37 PRO QD 1.800 . 2.900 2.041 2.035 2.046 . 0 0 "[ . 1 . 2]" 1
702 1 35 ILE HA 1 36 PRO HB3 1.800 . 6.000 5.902 5.839 5.947 . 0 0 "[ . 1 . 2]" 1
703 1 35 ILE HA 1 36 PRO HB2 1.800 . 6.000 5.366 5.356 5.390 . 0 0 "[ . 1 . 2]" 1
704 1 35 ILE QG 1 36 PRO QB 1.800 . 3.500 2.756 2.712 2.792 . 0 0 "[ . 1 . 2]" 1
705 1 36 PRO HB3 1 37 PRO QD 1.800 . 5.000 3.493 3.469 3.521 . 0 0 "[ . 1 . 2]" 1
706 1 36 PRO HB2 1 37 PRO QD 1.800 . 5.000 4.184 4.139 4.213 . 0 0 "[ . 1 . 2]" 1
707 1 35 ILE H 1 36 PRO QD 1.800 . 6.000 4.466 4.462 4.473 . 0 0 "[ . 1 . 2]" 1
708 1 37 PRO HB3 1 37 PRO QD 1.800 . 3.500 3.527 3.518 3.537 0.037 8 0 "[ . 1 . 2]" 1
709 1 37 PRO HB2 1 37 PRO QD 1.800 . 3.500 3.164 3.126 3.189 . 0 0 "[ . 1 . 2]" 1
710 1 37 PRO HA 1 37 PRO QG 1.800 . 3.500 2.916 2.876 2.949 . 0 0 "[ . 1 . 2]" 1
711 1 37 PRO HA 1 37 PRO HB3 1.800 . 2.900 2.307 2.301 2.314 . 0 0 "[ . 1 . 2]" 1
712 1 37 PRO QD 1 37 PRO QG 1.800 . 2.900 1.955 1.953 1.957 . 0 0 "[ . 1 . 2]" 1
713 1 34 LEU QB 1 37 PRO HA 1.800 . 5.000 4.700 4.675 4.726 . 0 0 "[ . 1 . 2]" 1
714 1 37 PRO HA 1 38 LEU H 1.800 . 2.900 2.157 2.131 2.175 . 0 0 "[ . 1 . 2]" 1
715 1 32 PHE HA 1 37 PRO HB3 1.800 . 3.500 3.265 3.009 3.338 . 0 0 "[ . 1 . 2]" 1
716 1 32 PHE HA 1 37 PRO HB2 1.800 . 5.000 4.508 4.400 4.554 . 0 0 "[ . 1 . 2]" 1
717 1 37 PRO HB3 1 38 LEU H 1.800 . 3.500 3.467 3.402 3.497 . 0 0 "[ . 1 . 2]" 1
718 1 37 PRO HB2 1 38 LEU H 1.800 . 5.000 3.967 3.949 3.976 . 0 0 "[ . 1 . 2]" 1
719 1 36 PRO HA 1 37 PRO QG 1.800 . 5.000 3.986 3.979 3.992 . 0 0 "[ . 1 . 2]" 1
720 1 32 PHE HA 1 37 PRO QG 1.800 . 6.000 2.248 2.240 2.256 . 0 0 "[ . 1 . 2]" 1
721 1 38 LEU HA 1 38 LEU QD 1.800 . 2.900 2.262 2.075 2.464 . 0 0 "[ . 1 . 2]" 1
722 1 38 LEU H 1 38 LEU HB3 1.800 . 3.500 3.592 3.584 3.602 0.102 6 0 "[ . 1 . 2]" 1
723 1 38 LEU H 1 38 LEU HB2 1.800 . 3.500 2.494 2.339 2.666 . 0 0 "[ . 1 . 2]" 1
724 1 38 LEU HB3 1 38 LEU QD 1.800 . 2.900 2.209 2.086 2.332 . 0 0 "[ . 1 . 2]" 1
725 1 38 LEU HB2 1 38 LEU QD 1.800 . 2.900 2.193 2.089 2.295 . 0 0 "[ . 1 . 2]" 1
726 1 38 LEU HA 1 38 LEU HG 1.800 . 3.500 2.896 2.497 3.306 . 0 0 "[ . 1 . 2]" 1
727 1 38 LEU H 1 38 LEU HG 1.800 . 5.000 2.831 1.818 3.821 . 0 0 "[ . 1 . 2]" 1
728 1 38 LEU H 1 38 LEU MD1 1.800 . 6.000 2.635 1.722 3.561 0.078 6 0 "[ . 1 . 2]" 1
729 1 38 LEU H 1 38 LEU MD2 1.800 . 3.500 3.164 2.708 3.592 0.092 1 0 "[ . 1 . 2]" 1
730 1 32 PHE H 1 38 LEU H 1.800 . 5.000 5.027 4.904 5.097 0.097 6 0 "[ . 1 . 2]" 1
731 1 37 PRO QB 1 38 LEU H 1.800 . 3.500 3.260 3.213 3.280 . 0 0 "[ . 1 . 2]" 1
732 1 37 PRO QG 1 38 LEU H 1.800 . 5.000 4.672 4.608 4.712 . 0 0 "[ . 1 . 2]" 1
733 1 38 LEU HA 1 40 ASP HA 1.800 . 6.300 6.386 6.369 6.403 0.103 14 0 "[ . 1 . 2]" 1
734 1 31 THR HA 1 38 LEU HB3 1.800 . 6.000 5.557 5.371 5.728 . 0 0 "[ . 1 . 2]" 1
735 1 31 THR HA 1 38 LEU HB2 1.800 . 5.000 4.075 3.996 4.182 . 0 0 "[ . 1 . 2]" 1
736 1 37 PRO HA 1 38 LEU QB 1.800 . 5.000 4.437 4.336 4.543 . 0 0 "[ . 1 . 2]" 1
737 1 38 LEU HB3 1 40 ASP HA 1.800 . 6.000 5.192 4.945 5.463 . 0 0 "[ . 1 . 2]" 1
738 1 38 LEU HB2 1 40 ASP HA 1.800 . 6.000 4.620 4.410 4.805 . 0 0 "[ . 1 . 2]" 1
739 1 20 LEU QD 1 38 LEU QD 1.800 . 2.900 2.268 2.052 2.483 . 0 0 "[ . 1 . 2]" 1
740 1 31 THR HA 1 38 LEU QD 1.800 . 3.500 2.894 2.737 3.071 . 0 0 "[ . 1 . 2]" 1
741 1 34 LEU HB3 1 38 LEU QD 1.800 . 5.000 3.765 3.662 3.901 . 0 0 "[ . 1 . 2]" 1
742 1 34 LEU HB2 1 38 LEU QD 1.800 . 3.500 3.568 3.436 3.660 0.160 13 0 "[ . 1 . 2]" 1
743 1 34 LEU HG 1 38 LEU QD 1.800 . 6.000 5.204 5.128 5.276 . 0 0 "[ . 1 . 2]" 1
744 1 37 PRO HA 1 38 LEU QD 1.800 . 3.500 3.225 2.855 3.633 0.133 8 0 "[ . 1 . 2]" 1
745 1 38 LEU QD 1 40 ASP H 1.800 . 6.000 4.210 4.154 4.256 . 0 0 "[ . 1 . 2]" 1
746 1 38 LEU QD 1 42 PRO QG 1.800 . 3.500 2.944 2.673 3.295 . 0 0 "[ . 1 . 2]" 1
747 1 38 LEU QD 1 42 PRO HD3 1.800 . 3.500 2.771 2.651 2.916 . 0 0 "[ . 1 . 2]" 1
748 1 38 LEU QD 1 42 PRO HD2 1.800 . 3.500 3.510 3.381 3.532 0.032 7 0 "[ . 1 . 2]" 1
749 1 38 LEU QD 1 46 TRP HD1 1.800 . 5.000 3.567 3.334 3.838 . 0 0 "[ . 1 . 2]" 1
750 1 38 LEU QD 1 46 TRP HE1 1.800 . 3.500 3.130 2.886 3.238 . 0 0 "[ . 1 . 2]" 1
751 1 39 HIS QB 1 39 HIS HD2 1.800 . 3.500 2.770 2.701 3.000 . 0 0 "[ . 1 . 2]" 1
752 1 39 HIS HD2 1 40 ASP HA 1.800 . 6.000 5.722 4.919 6.042 0.042 19 0 "[ . 1 . 2]" 1
753 1 39 HIS HE1 1 40 ASP HA 1.800 . 6.000 5.995 5.626 6.059 0.059 6 0 "[ . 1 . 2]" 1
754 1 39 HIS HA 1 40 ASP H 1.800 . 3.500 3.544 3.540 3.551 0.051 12 0 "[ . 1 . 2]" 1
755 1 39 HIS HB3 1 40 ASP HA 1.800 . 6.000 5.316 4.963 5.971 . 0 0 "[ . 1 . 2]" 1
756 1 39 HIS HB2 1 40 ASP HA 1.800 . 6.000 5.702 5.169 5.980 . 0 0 "[ . 1 . 2]" 1
757 1 31 THR HB 1 40 ASP H 1.800 . 6.000 5.784 5.436 5.871 . 0 0 "[ . 1 . 2]" 1
758 1 38 LEU HB3 1 40 ASP H 1.800 . 5.000 3.011 2.753 3.281 . 0 0 "[ . 1 . 2]" 1
759 1 38 LEU HB2 1 40 ASP H 1.800 . 5.000 3.446 3.243 3.631 . 0 0 "[ . 1 . 2]" 1
760 1 39 HIS HB3 1 40 ASP H 1.800 . 5.000 3.040 2.594 3.850 . 0 0 "[ . 1 . 2]" 1
761 1 39 HIS HB2 1 40 ASP H 1.800 . 5.000 3.899 3.767 3.973 . 0 0 "[ . 1 . 2]" 1
762 1 40 ASP H 1 40 ASP HA 1.800 . 2.900 2.909 2.906 2.913 0.013 17 0 "[ . 1 . 2]" 1
763 1 40 ASP H 1 41 VAL H 1.800 . 5.000 4.391 4.382 4.397 . 0 0 "[ . 1 . 2]" 1
764 1 40 ASP H 1 41 VAL MG1 1.800 . 6.300 5.674 5.380 6.348 0.048 2 0 "[ . 1 . 2]" 1
765 1 40 ASP H 1 41 VAL MG2 1.800 . 6.300 5.685 5.402 6.361 0.061 7 0 "[ . 1 . 2]" 1
766 1 40 ASP HB3 1 41 VAL H 1.800 . 3.500 3.165 2.242 3.670 0.170 7 0 "[ . 1 . 2]" 1
767 1 40 ASP HB2 1 41 VAL H 1.800 . 5.000 3.569 2.204 3.860 . 0 0 "[ . 1 . 2]" 1
768 1 40 ASP HB3 1 41 VAL QG 1.800 . 6.000 4.064 3.681 4.775 . 0 0 "[ . 1 . 2]" 1
769 1 40 ASP HB2 1 41 VAL QG 1.800 . 6.000 4.480 2.949 5.490 . 0 0 "[ . 1 . 2]" 1
770 1 41 VAL H 1 41 VAL HA 1.800 . 2.900 2.898 2.892 2.915 0.015 7 0 "[ . 1 . 2]" 1
771 1 41 VAL H 1 41 VAL HB 1.800 . 3.500 3.067 2.162 3.560 0.060 12 0 "[ . 1 . 2]" 1
772 1 41 VAL H 1 41 VAL QG 1.800 . 2.900 2.010 1.759 2.727 0.041 9 0 "[ . 1 . 2]" 1
773 1 41 VAL HA 1 41 VAL QG 1.800 . 2.900 2.233 2.081 2.465 . 0 0 "[ . 1 . 2]" 1
774 1 41 VAL HB 1 41 VAL QG 1.800 . 2.900 1.905 1.898 1.913 . 0 0 "[ . 1 . 2]" 1
775 1 18 ARG QG 1 41 VAL H 1.800 . 6.500 6.559 6.523 6.580 0.080 6 0 "[ . 1 . 2]" 1
776 1 18 ARG H 1 41 VAL H 1.800 . 7.000 6.954 6.738 7.047 0.047 14 0 "[ . 1 . 2]" 1
777 1 20 LEU QD 1 41 VAL H 1.800 . 5.000 4.536 4.357 4.687 . 0 0 "[ . 1 . 2]" 1
778 1 31 THR HB 1 41 VAL H 1.800 . 6.000 5.463 5.343 5.540 . 0 0 "[ . 1 . 2]" 1
779 1 38 LEU QB 1 41 VAL H 1.800 . 6.000 5.234 5.153 5.268 . 0 0 "[ . 1 . 2]" 1
780 1 40 ASP HA 1 41 VAL H 1.800 . 2.900 2.545 2.518 2.560 . 0 0 "[ . 1 . 2]" 1
781 1 40 ASP QB 1 41 VAL H 1.800 . 2.900 2.836 2.187 3.018 0.118 16 0 "[ . 1 . 2]" 1
782 1 41 VAL H 1 42 PRO HD2 1.800 . 6.000 5.087 5.061 5.118 . 0 0 "[ . 1 . 2]" 1
783 1 41 VAL HA 1 42 PRO HD3 1.800 . 3.500 2.253 2.237 2.269 . 0 0 "[ . 1 . 2]" 1
784 1 41 VAL HA 1 42 PRO HD2 1.800 . 3.500 2.333 2.306 2.369 . 0 0 "[ . 1 . 2]" 1
785 1 18 ARG HA 1 41 VAL MG2 1.800 . 6.000 3.973 2.528 5.076 . 0 0 "[ . 1 . 2]" 1
786 1 18 ARG HA 1 41 VAL MG1 1.800 . 6.000 3.570 2.499 5.180 . 0 0 "[ . 1 . 2]" 1
787 1 18 ARG QD 1 41 VAL QG 1.800 . 5.000 3.498 3.184 3.981 . 0 0 "[ . 1 . 2]" 1
788 1 40 ASP HA 1 41 VAL MG1 1.800 . 6.000 4.336 3.743 5.609 . 0 0 "[ . 1 . 2]" 1
789 1 40 ASP HA 1 41 VAL MG2 1.800 . 6.000 4.351 3.780 5.617 . 0 0 "[ . 1 . 2]" 1
790 1 41 VAL MG1 1 42 PRO QD 1.800 . 5.000 3.409 2.711 4.189 . 0 0 "[ . 1 . 2]" 1
791 1 41 VAL MG2 1 42 PRO QD 1.800 . 5.000 3.563 2.654 4.172 . 0 0 "[ . 1 . 2]" 1
792 1 42 PRO HA 1 43 LYS H 1.800 . 2.900 2.329 2.300 2.354 . 0 0 "[ . 1 . 2]" 1
793 1 41 VAL HA 1 42 PRO QG 1.800 . 5.000 3.958 3.952 3.964 . 0 0 "[ . 1 . 2]" 1
794 1 41 VAL QG 1 42 PRO QG 1.800 . 5.000 4.379 4.008 4.717 . 0 0 "[ . 1 . 2]" 1
795 1 20 LEU MD1 1 42 PRO HD3 1.800 . 6.000 5.366 5.214 5.497 . 0 0 "[ . 1 . 2]" 1
796 1 20 LEU MD1 1 42 PRO HD2 1.800 . 5.000 4.653 4.537 4.769 . 0 0 "[ . 1 . 2]" 1
797 1 20 LEU MD2 1 42 PRO HD3 1.800 . 5.000 2.879 2.720 3.035 . 0 0 "[ . 1 . 2]" 1
798 1 20 LEU MD2 1 42 PRO HD2 1.800 . 5.000 2.372 2.188 2.596 . 0 0 "[ . 1 . 2]" 1
799 1 38 LEU QB 1 42 PRO QD 1.800 . 3.500 3.372 3.316 3.467 . 0 0 "[ . 1 . 2]" 1
800 1 41 VAL MG1 1 42 PRO HD3 1.800 . 5.000 4.150 3.780 4.714 . 0 0 "[ . 1 . 2]" 1
801 1 41 VAL MG1 1 42 PRO HD2 1.800 . 5.000 3.668 2.777 4.703 . 0 0 "[ . 1 . 2]" 1
802 1 41 VAL MG2 1 42 PRO HD3 1.800 . 5.000 4.279 3.750 4.703 . 0 0 "[ . 1 . 2]" 1
803 1 41 VAL MG2 1 42 PRO HD2 1.800 . 5.000 3.876 2.714 4.679 . 0 0 "[ . 1 . 2]" 1
804 1 41 VAL H 1 42 PRO HD3 1.800 . 6.000 4.486 4.469 4.501 . 0 0 "[ . 1 . 2]" 1
805 1 42 PRO HD3 1 46 TRP HD1 1.800 . 6.000 5.758 5.634 5.999 . 0 0 "[ . 1 . 2]" 1
806 1 42 PRO HD2 1 46 TRP HD1 1.800 . 6.000 5.781 5.683 5.927 . 0 0 "[ . 1 . 2]" 1
807 1 43 LYS H 1 43 LYS HA 1.800 . 2.900 2.908 2.895 2.916 0.016 12 0 "[ . 1 . 2]" 1
808 1 43 LYS H 1 43 LYS HB3 1.800 . 3.500 3.455 2.528 3.608 0.108 12 0 "[ . 1 . 2]" 1
809 1 43 LYS H 1 43 LYS HB2 1.800 . 3.500 2.540 2.395 3.610 0.110 17 0 "[ . 1 . 2]" 1
810 1 43 LYS HA 1 43 LYS QG 1.800 . 3.500 2.418 2.271 3.303 . 0 0 "[ . 1 . 2]" 1
811 1 43 LYS QD 1 43 LYS QE 1.800 . 2.900 2.051 1.939 2.109 . 0 0 "[ . 1 . 2]" 1
812 1 43 LYS HA 1 43 LYS QD 1.800 . 5.000 3.949 3.910 4.264 . 0 0 "[ . 1 . 2]" 1
813 1 43 LYS QE 1 43 LYS QG 1.800 . 6.000 2.220 2.084 2.659 . 0 0 "[ . 1 . 2]" 1
814 1 43 LYS H 1 43 LYS QG 1.800 . 6.000 2.345 2.028 3.960 . 0 0 "[ . 1 . 2]" 1
815 1 43 LYS H 1 44 GLY H 1.800 . 3.500 3.061 2.999 3.143 . 0 0 "[ . 1 . 2]" 1
816 1 43 LYS H 1 45 ASP H 1.800 . 5.000 3.364 3.308 3.426 . 0 0 "[ . 1 . 2]" 1
817 1 41 VAL HA 1 43 LYS H 1.800 . 6.500 6.434 6.396 6.460 . 0 0 "[ . 1 . 2]" 1
818 1 41 VAL QG 1 43 LYS H 1.800 . 6.000 5.119 4.594 5.611 . 0 0 "[ . 1 . 2]" 1
819 1 43 LYS HA 1 44 GLY H 1.800 . 3.500 3.041 3.002 3.108 . 0 0 "[ . 1 . 2]" 1
820 1 44 GLY H 1 44 GLY HA3 1.800 . 2.900 2.978 2.974 2.981 0.081 6 0 "[ . 1 . 2]" 1
821 1 43 LYS QB 1 44 GLY H 1.800 . 5.000 3.781 3.697 4.063 . 0 0 "[ . 1 . 2]" 1
822 1 43 LYS QG 1 44 GLY H 1.800 . 5.000 4.378 3.557 4.484 . 0 0 "[ . 1 . 2]" 1
823 1 43 LYS HA 1 44 GLY HA3 1.800 . 5.000 4.445 4.431 4.455 . 0 0 "[ . 1 . 2]" 1
824 1 43 LYS HA 1 44 GLY HA2 1.800 . 5.000 4.781 4.761 4.821 . 0 0 "[ . 1 . 2]" 1
825 1 44 GLY HA3 1 45 ASP H 1.800 . 3.500 3.267 3.205 3.346 . 0 0 "[ . 1 . 2]" 1
826 1 44 GLY HA2 1 45 ASP H 1.800 . 3.500 3.351 3.278 3.407 . 0 0 "[ . 1 . 2]" 1
827 1 44 GLY H 1 45 ASP H 1.800 . 2.900 2.352 2.271 2.435 . 0 0 "[ . 1 . 2]" 1
828 1 45 ASP H 1 45 ASP HA 1.800 . 2.900 2.979 2.958 2.992 0.092 7 0 "[ . 1 . 2]" 1
829 1 45 ASP H 1 46 TRP H 1.800 . 3.500 3.372 3.000 3.535 0.035 16 0 "[ . 1 . 2]" 1
830 1 46 TRP H 1 46 TRP HD1 1.800 . 6.000 5.642 5.575 5.732 . 0 0 "[ . 1 . 2]" 1
831 1 46 TRP HA 1 46 TRP HD1 1.800 . 3.500 3.365 3.217 3.557 0.057 3 0 "[ . 1 . 2]" 1
832 1 46 TRP QB 1 46 TRP HE3 1.800 . 3.500 2.600 2.544 2.689 . 0 0 "[ . 1 . 2]" 1
833 1 44 GLY QA 1 46 TRP H 1.800 . 5.000 3.796 3.361 4.151 . 0 0 "[ . 1 . 2]" 1
834 1 45 ASP HA 1 46 TRP H 1.800 . 2.900 2.648 2.458 2.941 0.041 3 0 "[ . 1 . 2]" 1
835 1 45 ASP QB 1 46 TRP H 1.800 . 5.000 3.979 3.814 4.077 . 0 0 "[ . 1 . 2]" 1
836 1 46 TRP H 1 47 ARG H 1.800 . 5.000 4.402 4.315 4.457 . 0 0 "[ . 1 . 2]" 1
837 1 46 TRP H 1 47 ARG QG 1.800 . 5.000 3.923 3.579 4.122 . 0 0 "[ . 1 . 2]" 1
838 1 42 PRO QG 1 46 TRP QB 1.800 . 3.500 2.039 1.988 2.127 . 0 0 "[ . 1 . 2]" 1
839 1 23 ASP H 1 46 TRP QB 1.800 . 6.000 6.087 6.005 6.188 0.188 3 0 "[ . 1 . 2]" 1
840 1 20 LEU QD 1 46 TRP HD1 1.800 . 6.000 5.168 4.980 5.415 . 0 0 "[ . 1 . 2]" 1
841 1 46 TRP HD1 1 47 ARG H 1.800 . 5.000 2.900 2.533 3.278 . 0 0 "[ . 1 . 2]" 1
842 1 46 TRP HD1 1 47 ARG QG 1.800 . 7.000 5.478 4.912 5.643 . 0 0 "[ . 1 . 2]" 1
843 1 38 LEU HG 1 46 TRP HE1 1.800 . 6.000 5.726 5.264 6.012 0.012 13 0 "[ . 1 . 2]" 1
844 1 42 PRO QD 1 46 TRP HE1 1.800 . 6.000 5.609 5.494 5.710 . 0 0 "[ . 1 . 2]" 1
845 1 42 PRO QG 1 46 TRP HE1 1.800 . 6.000 4.595 4.496 4.664 . 0 0 "[ . 1 . 2]" 1
846 1 20 LEU HB3 1 46 TRP HE3 1.800 . 6.500 4.532 4.291 4.791 . 0 0 "[ . 1 . 2]" 1
847 1 20 LEU HB2 1 46 TRP HE3 1.800 . 6.000 3.900 3.683 4.181 . 0 0 "[ . 1 . 2]" 1
848 1 20 LEU QD 1 46 TRP HE3 1.800 . 6.000 4.240 4.069 4.414 . 0 0 "[ . 1 . 2]" 1
849 1 22 CYS H 1 46 TRP HE3 1.800 . 6.000 5.482 5.330 5.692 . 0 0 "[ . 1 . 2]" 1
850 1 22 CYS HA 1 46 TRP HE3 1.800 . 3.500 3.315 3.208 3.411 . 0 0 "[ . 1 . 2]" 1
851 1 42 PRO QG 1 46 TRP HE3 1.800 . 6.000 3.702 3.518 3.774 . 0 0 "[ . 1 . 2]" 1
852 1 29 TYR H 1 46 TRP HH2 1.800 . 6.000 4.768 4.573 4.868 . 0 0 "[ . 1 . 2]" 1
853 1 38 LEU QD 1 46 TRP HH2 1.800 . 6.000 5.306 5.075 5.570 . 0 0 "[ . 1 . 2]" 1
854 1 46 TRP HH2 1 48 CYS HA 1.800 . 5.000 3.945 3.796 4.199 . 0 0 "[ . 1 . 2]" 1
855 1 46 TRP HH2 1 48 CYS HB3 1.800 . 6.000 3.011 2.842 3.190 . 0 0 "[ . 1 . 2]" 1
856 1 46 TRP HH2 1 48 CYS HB2 1.800 . 6.000 3.893 3.576 4.087 . 0 0 "[ . 1 . 2]" 1
857 1 46 TRP HH2 1 48 CYS H 1.800 . 6.000 4.391 3.938 4.563 . 0 0 "[ . 1 . 2]" 1
858 1 46 TRP HH2 1 49 PRO QD 1.800 . 6.000 4.895 4.732 5.068 . 0 0 "[ . 1 . 2]" 1
859 1 20 LEU HB3 1 46 TRP HZ2 1.800 . 6.000 6.071 5.994 6.128 0.128 20 0 "[ . 1 . 2]" 1
860 1 20 LEU HB2 1 46 TRP HZ2 1.800 . 6.000 4.651 4.592 4.712 . 0 0 "[ . 1 . 2]" 1
861 1 22 CYS HA 1 46 TRP HZ2 1.800 . 6.000 5.442 5.333 5.540 . 0 0 "[ . 1 . 2]" 1
862 1 29 TYR QB 1 46 TRP HZ2 1.800 . 6.000 4.198 3.963 4.376 . 0 0 "[ . 1 . 2]" 1
863 1 29 TYR QD 1 46 TRP HZ2 1.800 . 6.000 5.431 5.232 5.532 . 0 0 "[ . 1 . 2]" 1
864 1 46 TRP HZ2 1 48 CYS HA 1.800 . 5.000 2.304 2.260 2.438 . 0 0 "[ . 1 . 2]" 1
865 1 46 TRP HZ2 1 48 CYS QB 1.800 . 6.000 2.942 2.706 3.099 . 0 0 "[ . 1 . 2]" 1
866 1 46 TRP HZ2 1 49 PRO QD 1.800 . 6.000 3.319 3.227 3.388 . 0 0 "[ . 1 . 2]" 1
867 1 47 ARG H 1 47 ARG HA 1.800 . 2.900 2.967 2.946 2.974 0.074 15 0 "[ . 1 . 2]" 1
868 1 47 ARG H 1 47 ARG QB 1.800 . 3.500 2.703 2.632 3.046 . 0 0 "[ . 1 . 2]" 1
869 1 47 ARG QB 1 47 ARG HD2 1.800 . 3.500 3.155 2.463 3.288 . 0 0 "[ . 1 . 2]" 1
870 1 47 ARG HA 1 47 ARG HG3 1.800 . 3.500 3.137 3.040 3.476 . 0 0 "[ . 1 . 2]" 1
871 1 47 ARG HA 1 47 ARG HG2 1.800 . 3.500 2.471 2.293 2.867 . 0 0 "[ . 1 . 2]" 1
872 1 47 ARG H 1 47 ARG HG3 1.800 . 6.000 3.008 2.506 3.392 . 0 0 "[ . 1 . 2]" 1
873 1 47 ARG H 1 47 ARG HG2 1.800 . 6.000 3.940 3.388 4.115 . 0 0 "[ . 1 . 2]" 1
874 1 47 ARG QB 1 47 ARG QD 1.800 . 2.900 2.269 2.184 2.409 . 0 0 "[ . 1 . 2]" 1
875 1 47 ARG H 1 47 ARG QD 1.800 . 6.000 4.449 4.233 4.757 . 0 0 "[ . 1 . 2]" 1
876 1 47 ARG HA 1 47 ARG HD3 1.800 . 5.000 4.608 4.477 4.880 . 0 0 "[ . 1 . 2]" 1
877 1 47 ARG HA 1 47 ARG HD2 1.800 . 6.000 4.720 4.165 5.122 . 0 0 "[ . 1 . 2]" 1
878 1 47 ARG HE 1 47 ARG QG 1.800 . 3.500 2.753 2.342 3.364 . 0 0 "[ . 1 . 2]" 1
879 1 22 CYS QB 1 47 ARG H 1.800 . 6.000 5.496 5.192 5.968 . 0 0 "[ . 1 . 2]" 1
880 1 46 TRP QB 1 47 ARG H 1.800 . 3.500 3.336 3.210 3.437 . 0 0 "[ . 1 . 2]" 1
881 1 46 TRP HE1 1 47 ARG H 1.800 . 5.000 3.842 3.466 4.153 . 0 0 "[ . 1 . 2]" 1
882 1 47 ARG H 1 48 CYS H 1.800 . 5.000 4.442 4.399 4.464 . 0 0 "[ . 1 . 2]" 1
883 1 47 ARG H 1 48 CYS QB 1.800 . 6.000 5.759 5.596 5.856 . 0 0 "[ . 1 . 2]" 1
884 1 47 ARG H 1 52 LEU QD 1.800 . 5.000 4.496 3.760 5.005 0.005 11 0 "[ . 1 . 2]" 1
885 1 47 ARG HA 1 48 CYS H 1.800 . 2.900 2.401 2.365 2.459 . 0 0 "[ . 1 . 2]" 1
886 1 46 TRP HA 1 47 ARG QB 1.800 . 6.000 4.350 4.127 4.638 . 0 0 "[ . 1 . 2]" 1
887 1 47 ARG QB 1 48 CYS H 1.800 . 3.500 2.635 2.543 2.823 . 0 0 "[ . 1 . 2]" 1
888 1 47 ARG QB 1 52 LEU HA 1.800 . 6.000 5.336 4.950 5.562 . 0 0 "[ . 1 . 2]" 1
889 1 47 ARG QB 1 52 LEU QD 1.800 . 5.000 2.986 2.261 3.457 . 0 0 "[ . 1 . 2]" 1
890 1 47 ARG QD 1 52 LEU QD 1.800 . 5.000 3.362 2.611 4.186 . 0 0 "[ . 1 . 2]" 1
891 1 24 GLY H 1 47 ARG QD 1.800 . 6.000 4.427 2.560 5.065 . 0 0 "[ . 1 . 2]" 1
892 1 47 ARG QD 1 48 CYS H 1.800 . 5.000 5.091 5.011 5.158 0.158 14 0 "[ . 1 . 2]" 1
893 1 24 GLY HA3 1 47 ARG HE 1.800 . 6.000 2.625 1.795 3.546 0.005 5 0 "[ . 1 . 2]" 1
894 1 24 GLY HA2 1 47 ARG HE 1.800 . 6.000 3.940 3.092 4.775 . 0 0 "[ . 1 . 2]" 1
895 1 25 CYS QB 1 47 ARG HE 1.800 . 6.000 5.729 5.193 6.079 0.079 9 0 "[ . 1 . 2]" 1
896 1 47 ARG HE 1 52 LEU QD 1.800 . 6.000 4.195 2.827 5.134 . 0 0 "[ . 1 . 2]" 1
897 1 24 GLY QA 1 47 ARG QG 1.800 . 6.000 3.639 3.369 4.220 . 0 0 "[ . 1 . 2]" 1
898 1 24 GLY H 1 47 ARG HG3 1.800 . 6.000 4.919 4.418 5.374 . 0 0 "[ . 1 . 2]" 1
899 1 24 GLY H 1 47 ARG HG2 1.800 . 6.000 3.205 2.840 3.880 . 0 0 "[ . 1 . 2]" 1
900 1 45 ASP QB 1 47 ARG QG 1.800 . 6.300 5.964 5.625 6.332 0.032 7 0 "[ . 1 . 2]" 1
901 1 47 ARG HG3 1 48 CYS H 1.800 . 6.000 5.012 4.948 5.190 . 0 0 "[ . 1 . 2]" 1
902 1 47 ARG HG2 1 48 CYS H 1.800 . 6.000 4.247 4.069 4.800 . 0 0 "[ . 1 . 2]" 1
903 1 47 ARG HG3 1 52 LEU QD 1.800 . 6.000 4.612 3.407 5.074 . 0 0 "[ . 1 . 2]" 1
904 1 47 ARG HG2 1 52 LEU QD 1.800 . 6.000 5.183 4.491 5.646 . 0 0 "[ . 1 . 2]" 1
905 1 48 CYS H 1 48 CYS HA 1.800 . 2.900 2.924 2.874 2.948 0.048 1 0 "[ . 1 . 2]" 1
906 1 48 CYS HA 1 48 CYS HB3 1.800 . 2.900 2.611 2.580 2.664 . 0 0 "[ . 1 . 2]" 1
907 1 48 CYS HA 1 48 CYS HB2 1.800 . 2.900 2.349 2.311 2.378 . 0 0 "[ . 1 . 2]" 1
908 1 48 CYS H 1 48 CYS HB3 1.800 . 3.500 2.412 2.307 2.496 . 0 0 "[ . 1 . 2]" 1
909 1 48 CYS H 1 48 CYS HB2 1.800 . 3.500 3.609 3.576 3.664 0.164 1 0 "[ . 1 . 2]" 1
910 1 22 CYS HA 1 48 CYS H 1.800 . 5.000 4.108 3.610 4.323 . 0 0 "[ . 1 . 2]" 1
911 1 22 CYS QB 1 48 CYS H 1.800 . 3.500 2.428 1.891 3.049 . 0 0 "[ . 1 . 2]" 1
912 1 47 ARG QG 1 48 CYS H 1.800 . 6.000 4.026 3.909 4.373 . 0 0 "[ . 1 . 2]" 1
913 1 48 CYS H 1 50 LYS QB 1.800 . 6.000 5.123 5.072 5.237 . 0 0 "[ . 1 . 2]" 1
914 1 48 CYS H 1 51 CYS H 1.800 . 5.000 3.967 3.745 4.441 . 0 0 "[ . 1 . 2]" 1
915 1 48 CYS H 1 51 CYS QB 1.800 . 5.000 3.750 3.018 4.807 . 0 0 "[ . 1 . 2]" 1
916 1 48 CYS H 1 52 LEU QD 1.800 . 6.000 4.959 4.072 5.537 . 0 0 "[ . 1 . 2]" 1
917 1 34 LEU MD1 1 48 CYS HA 1.800 . 5.000 4.084 3.934 4.242 . 0 0 "[ . 1 . 2]" 1
918 1 48 CYS HA 1 49 PRO QG 1.800 . 5.000 3.950 3.922 3.983 . 0 0 "[ . 1 . 2]" 1
919 1 48 CYS HA 1 49 PRO HD3 1.800 . 3.500 2.212 2.160 2.249 . 0 0 "[ . 1 . 2]" 1
920 1 48 CYS HA 1 49 PRO HD2 1.800 . 3.500 3.309 3.216 3.374 . 0 0 "[ . 1 . 2]" 1
921 1 25 CYS QB 1 48 CYS QB 1.800 . 6.000 5.960 5.636 6.077 0.077 4 0 "[ . 1 . 2]" 1
922 1 29 TYR QE 1 48 CYS HB3 1.800 . 5.000 5.035 4.822 5.142 0.142 9 0 "[ . 1 . 2]" 1
923 1 29 TYR QE 1 48 CYS HB2 1.800 . 6.000 5.033 4.863 5.156 . 0 0 "[ . 1 . 2]" 1
924 1 46 TRP HZ2 1 48 CYS HB3 1.800 . 5.000 3.290 3.027 3.462 . 0 0 "[ . 1 . 2]" 1
925 1 46 TRP HZ2 1 48 CYS HB2 1.800 . 5.000 3.316 3.033 3.523 . 0 0 "[ . 1 . 2]" 1
926 1 47 ARG HA 1 48 CYS QB 1.800 . 6.000 4.227 4.190 4.300 . 0 0 "[ . 1 . 2]" 1
927 1 48 CYS QB 1 50 LYS QB 1.800 . 5.000 3.969 3.873 4.258 . 0 0 "[ . 1 . 2]" 1
928 1 49 PRO HA 1 49 PRO QG 1.800 . 3.500 3.010 2.983 3.045 . 0 0 "[ . 1 . 2]" 1
929 1 49 PRO HA 1 49 PRO HD3 1.800 . 6.000 3.808 3.788 3.823 . 0 0 "[ . 1 . 2]" 1
930 1 49 PRO HA 1 49 PRO HD2 1.800 . 6.000 3.918 3.907 3.933 . 0 0 "[ . 1 . 2]" 1
931 1 49 PRO QD 1 49 PRO QG 1.800 . 2.900 1.986 1.978 1.990 . 0 0 "[ . 1 . 2]" 1
932 1 49 PRO HA 1 50 LYS H 1.800 . 3.500 3.532 3.516 3.547 0.047 11 0 "[ . 1 . 2]" 1
933 1 49 PRO HA 1 52 LEU QD 1.800 . 3.500 2.793 2.302 3.102 . 0 0 "[ . 1 . 2]" 1
934 1 49 PRO HA 1 52 LEU H 1.800 . 5.000 3.376 3.252 3.437 . 0 0 "[ . 1 . 2]" 1
935 1 49 PRO HA 1 53 ALA MB 1.800 . 5.000 4.984 4.818 5.066 0.066 7 0 "[ . 1 . 2]" 1
936 1 49 PRO HA 1 54 GLN QG 1.800 . 7.000 6.985 6.786 7.056 0.056 11 0 "[ . 1 . 2]" 1
937 1 29 TYR QE 1 49 PRO HD3 1.800 . 6.500 6.567 6.521 6.595 0.095 13 0 "[ . 1 . 2]" 1
938 1 29 TYR QE 1 49 PRO HD2 1.800 . 6.000 5.687 5.513 5.791 . 0 0 "[ . 1 . 2]" 1
939 1 34 LEU QD 1 49 PRO QD 1.800 . 3.500 2.062 2.000 2.174 . 0 0 "[ . 1 . 2]" 1
940 1 46 TRP HH2 1 49 PRO HD3 1.800 . 6.000 5.235 5.026 5.478 . 0 0 "[ . 1 . 2]" 1
941 1 46 TRP HH2 1 49 PRO HD2 1.800 . 6.000 5.889 5.711 6.026 0.026 12 0 "[ . 1 . 2]" 1
942 1 46 TRP HZ2 1 49 PRO HD3 1.800 . 5.000 3.399 3.300 3.492 . 0 0 "[ . 1 . 2]" 1
943 1 46 TRP HZ2 1 49 PRO HD2 1.800 . 5.000 4.653 4.536 4.773 . 0 0 "[ . 1 . 2]" 1
944 1 48 CYS H 1 49 PRO QD 1.800 . 6.000 4.447 4.403 4.472 . 0 0 "[ . 1 . 2]" 1
945 1 48 CYS QB 1 49 PRO HD3 1.800 . 5.000 2.452 2.280 2.572 . 0 0 "[ . 1 . 2]" 1
946 1 48 CYS QB 1 49 PRO HD2 1.800 . 3.500 2.204 2.169 2.244 . 0 0 "[ . 1 . 2]" 1
947 1 49 PRO QD 1 50 LYS QB 1.800 . 5.000 3.963 3.856 4.290 . 0 0 "[ . 1 . 2]" 1
948 1 49 PRO HD3 1 50 LYS H 1.800 . 6.000 3.866 3.825 3.916 . 0 0 "[ . 1 . 2]" 1
949 1 49 PRO HD2 1 50 LYS H 1.800 . 6.000 2.542 2.473 2.623 . 0 0 "[ . 1 . 2]" 1
950 1 50 LYS H 1 50 LYS HA 1.800 . 2.900 2.837 2.822 2.851 . 0 0 "[ . 1 . 2]" 1
951 1 50 LYS H 1 50 LYS HB3 1.800 . 3.500 2.780 2.590 3.609 0.109 11 0 "[ . 1 . 2]" 1
952 1 50 LYS H 1 50 LYS HB2 1.800 . 3.500 2.487 2.467 2.515 . 0 0 "[ . 1 . 2]" 1
953 1 50 LYS H 1 50 LYS HG3 1.800 . 5.000 4.086 2.106 4.448 . 0 0 "[ . 1 . 2]" 1
954 1 50 LYS H 1 50 LYS HG2 1.800 . 5.000 4.320 3.263 4.510 . 0 0 "[ . 1 . 2]" 1
955 1 50 LYS HA 1 50 LYS HB3 1.800 . 2.900 2.937 2.474 3.022 0.122 17 0 "[ . 1 . 2]" 1
956 1 50 LYS HA 1 50 LYS HB2 1.800 . 2.900 2.574 2.471 3.018 0.118 11 0 "[ . 1 . 2]" 1
957 1 50 LYS HA 1 50 LYS HG3 1.800 . 3.500 2.562 2.462 3.077 . 0 0 "[ . 1 . 2]" 1
958 1 50 LYS HA 1 50 LYS HG2 1.800 . 3.500 2.872 2.382 2.987 . 0 0 "[ . 1 . 2]" 1
959 1 50 LYS QE 1 50 LYS QG 1.800 . 3.500 2.187 2.086 2.675 . 0 0 "[ . 1 . 2]" 1
960 1 50 LYS H 1 50 LYS QG 1.800 . 5.000 3.698 2.081 3.981 . 0 0 "[ . 1 . 2]" 1
961 1 50 LYS QD 1 50 LYS QE 1.800 . 3.500 2.060 1.934 2.107 . 0 0 "[ . 1 . 2]" 1
962 1 50 LYS HA 1 50 LYS QD 1.800 . 6.000 3.965 3.879 3.981 . 0 0 "[ . 1 . 2]" 1
963 1 50 LYS H 1 50 LYS QD 1.800 . 6.000 4.339 3.835 4.435 . 0 0 "[ . 1 . 2]" 1
964 1 48 CYS H 1 50 LYS H 1.800 . 6.000 4.994 4.920 5.071 . 0 0 "[ . 1 . 2]" 1
965 1 48 CYS QB 1 50 LYS H 1.800 . 5.000 3.350 3.252 3.566 . 0 0 "[ . 1 . 2]" 1
966 1 49 PRO QD 1 50 LYS H 1.800 . 3.500 2.509 2.444 2.584 . 0 0 "[ . 1 . 2]" 1
967 1 50 LYS H 1 51 CYS H 1.800 . 2.900 2.742 2.659 2.845 . 0 0 "[ . 1 . 2]" 1
968 1 50 LYS H 1 51 CYS HA 1.800 . 6.000 5.370 5.305 5.445 . 0 0 "[ . 1 . 2]" 1
969 1 50 LYS H 1 51 CYS QB 1.800 . 6.000 4.967 4.504 5.445 . 0 0 "[ . 1 . 2]" 1
970 1 50 LYS H 1 52 LEU H 1.800 . 5.000 4.243 4.059 4.348 . 0 0 "[ . 1 . 2]" 1
971 1 50 LYS HA 1 51 CYS H 1.800 . 3.500 3.543 3.523 3.566 0.066 14 0 "[ . 1 . 2]" 1
972 1 50 LYS HA 1 53 ALA H 1.800 . 3.500 3.306 3.115 3.524 0.024 14 0 "[ . 1 . 2]" 1
973 1 49 PRO QB 1 50 LYS QB 1.800 . 5.000 4.216 4.080 4.657 . 0 0 "[ . 1 . 2]" 1
974 1 50 LYS QB 1 51 CYS H 1.800 . 3.500 2.640 2.584 2.669 . 0 0 "[ . 1 . 2]" 1
975 1 8 LEU QD 1 50 LYS QD 1.800 . 6.000 5.079 4.553 5.646 . 0 0 "[ . 1 . 2]" 1
976 1 25 CYS HA 1 50 LYS QD 1.800 . 6.000 5.211 4.892 6.068 0.068 11 0 "[ . 1 . 2]" 1
977 1 51 CYS H 1 51 CYS QB 1.800 . 2.900 2.622 2.268 2.972 0.072 9 0 "[ . 1 . 2]" 1
978 1 47 ARG QB 1 51 CYS H 1.800 . 5.000 4.214 4.084 4.421 . 0 0 "[ . 1 . 2]" 1
979 1 48 CYS QB 1 51 CYS H 1.800 . 5.000 4.191 3.997 4.449 . 0 0 "[ . 1 . 2]" 1
980 1 50 LYS QE 1 51 CYS H 1.800 . 6.000 5.899 5.700 6.046 0.046 9 0 "[ . 1 . 2]" 1
981 1 51 CYS H 1 52 LEU QB 1.800 . 6.000 4.677 4.465 4.838 . 0 0 "[ . 1 . 2]" 1
982 1 51 CYS H 1 52 LEU H 1.800 . 2.900 2.648 2.484 2.769 . 0 0 "[ . 1 . 2]" 1
983 1 51 CYS H 1 52 LEU QD 1.800 . 5.000 4.267 3.233 4.719 . 0 0 "[ . 1 . 2]" 1
984 1 51 CYS H 1 53 ALA H 1.800 . 5.000 4.036 3.969 4.116 . 0 0 "[ . 1 . 2]" 1
985 1 50 LYS QG 1 51 CYS HA 1.800 . 6.000 4.039 3.589 5.796 . 0 0 "[ . 1 . 2]" 1
986 1 50 LYS QB 1 51 CYS HA 1.800 . 5.000 4.090 3.905 4.202 . 0 0 "[ . 1 . 2]" 1
987 1 51 CYS HA 1 52 LEU H 1.800 . 3.500 3.531 3.500 3.550 0.050 7 0 "[ . 1 . 2]" 1
988 1 51 CYS HA 1 53 ALA H 1.800 . 6.000 4.289 4.111 4.422 . 0 0 "[ . 1 . 2]" 1
989 1 51 CYS HA 1 54 GLN H 1.800 . 6.000 3.719 3.575 3.882 . 0 0 "[ . 1 . 2]" 1
990 1 51 CYS HA 1 54 GLN QG 1.800 . 5.000 2.355 2.081 2.557 . 0 0 "[ . 1 . 2]" 1
991 1 47 ARG QB 1 51 CYS QB 1.800 . 3.500 2.548 2.055 3.197 . 0 0 "[ . 1 . 2]" 1
992 1 47 ARG QG 1 51 CYS QB 1.800 . 5.000 4.048 3.693 4.702 . 0 0 "[ . 1 . 2]" 1
993 1 47 ARG HA 1 51 CYS QB 1.800 . 6.000 4.619 4.083 5.421 . 0 0 "[ . 1 . 2]" 1
994 1 50 LYS HA 1 51 CYS QB 1.800 . 6.000 5.489 5.292 5.694 . 0 0 "[ . 1 . 2]" 1
995 1 51 CYS QB 1 52 LEU QD 1.800 . 5.000 3.009 2.450 3.367 . 0 0 "[ . 1 . 2]" 1
996 1 51 CYS QB 1 52 LEU H 1.800 . 3.500 2.855 2.493 3.255 . 0 0 "[ . 1 . 2]" 1
997 1 52 LEU H 1 52 LEU HA 1.800 . 2.900 2.890 2.874 2.900 0.000 9 0 "[ . 1 . 2]" 1
998 1 52 LEU QD 1 52 LEU HG 1.800 . 2.900 1.898 1.891 1.911 . 0 0 "[ . 1 . 2]" 1
999 1 52 LEU H 1 52 LEU HG 1.800 . 5.000 2.504 2.045 3.912 . 0 0 "[ . 1 . 2]" 1
1000 1 52 LEU HA 1 52 LEU QD 1.800 . 5.000 2.130 1.954 2.585 . 0 0 "[ . 1 . 2]" 1
1001 1 52 LEU QB 1 52 LEU QD 1.800 . 2.900 1.921 1.900 2.005 . 0 0 "[ . 1 . 2]" 1
1002 1 52 LEU H 1 52 LEU MD1 1.800 . 6.000 3.263 1.787 3.847 0.013 3 0 "[ . 1 . 2]" 1
1003 1 52 LEU H 1 52 LEU MD2 1.800 . 5.000 3.183 1.769 3.787 0.031 5 0 "[ . 1 . 2]" 1
1004 1 47 ARG QB 1 52 LEU H 1.800 . 5.000 4.321 4.051 4.475 . 0 0 "[ . 1 . 2]" 1
1005 1 48 CYS H 1 52 LEU H 1.800 . 6.000 5.407 5.072 5.829 . 0 0 "[ . 1 . 2]" 1
1006 1 50 LYS QB 1 52 LEU H 1.800 . 6.000 4.750 4.610 4.856 . 0 0 "[ . 1 . 2]" 1
1007 1 52 LEU H 1 53 ALA HA 1.800 . 6.000 5.211 5.162 5.263 . 0 0 "[ . 1 . 2]" 1
1008 1 52 LEU H 1 53 ALA MB 1.800 . 5.000 4.195 4.109 4.309 . 0 0 "[ . 1 . 2]" 1
1009 1 52 LEU H 1 53 ALA H 1.800 . 2.900 2.559 2.506 2.614 . 0 0 "[ . 1 . 2]" 1
1010 1 52 LEU H 1 54 GLN H 1.800 . 5.000 4.085 4.008 4.429 . 0 0 "[ . 1 . 2]" 1
1011 1 52 LEU H 1 54 GLN QG 1.800 . 5.000 4.219 4.082 4.293 . 0 0 "[ . 1 . 2]" 1
1012 1 51 CYS QB 1 52 LEU HG 1.800 . 6.000 3.780 3.112 5.437 . 0 0 "[ . 1 . 2]" 1
1013 1 52 LEU HG 1 53 ALA H 1.800 . 6.000 4.420 4.163 5.117 . 0 0 "[ . 1 . 2]" 1
1014 1 53 ALA H 1 53 ALA HA 1.800 . 2.900 2.851 2.837 2.863 . 0 0 "[ . 1 . 2]" 1
1015 1 53 ALA H 1 53 ALA MB 1.800 . 2.900 2.120 2.044 2.256 . 0 0 "[ . 1 . 2]" 1
1016 1 50 LYS QB 1 53 ALA H 1.800 . 6.000 4.871 4.545 5.052 . 0 0 "[ . 1 . 2]" 1
1017 1 51 CYS QB 1 53 ALA H 1.800 . 6.000 4.723 4.474 4.972 . 0 0 "[ . 1 . 2]" 1
1018 1 52 LEU HA 1 53 ALA H 1.800 . 3.500 3.523 3.508 3.537 0.037 16 0 "[ . 1 . 2]" 1
1019 1 52 LEU QD 1 53 ALA H 1.800 . 5.000 3.999 3.663 4.145 . 0 0 "[ . 1 . 2]" 1
1020 1 53 ALA H 1 54 GLN QE 1.800 . 5.000 4.899 4.076 5.169 0.169 4 0 "[ . 1 . 2]" 1
1021 1 53 ALA H 1 54 GLN H 1.800 . 2.900 2.640 2.579 2.742 . 0 0 "[ . 1 . 2]" 1
1022 1 53 ALA HA 1 54 GLN H 1.800 . 3.500 3.469 3.450 3.552 0.052 12 0 "[ . 1 . 2]" 1
1023 1 54 GLN H 1 54 GLN HA 1.800 . 2.900 2.841 2.827 2.868 . 0 0 "[ . 1 . 2]" 1
1024 1 54 GLN H 1 54 GLN QG 1.800 . 2.900 1.763 1.745 1.792 0.055 20 0 "[ . 1 . 2]" 1
1025 1 54 GLN HA 1 54 GLN QG 1.800 . 3.500 2.593 2.431 3.279 . 0 0 "[ . 1 . 2]" 1
1026 1 54 GLN H 1 54 GLN HB3 1.800 . 3.500 3.538 2.814 3.589 0.089 7 0 "[ . 1 . 2]" 1
1027 1 54 GLN H 1 54 GLN HB2 1.800 . 3.500 2.703 2.638 3.594 0.094 12 0 "[ . 1 . 2]" 1
1028 1 53 ALA MB 1 54 GLN H 1.800 . 2.900 2.864 2.541 2.911 0.011 4 0 "[ . 1 . 2]" 1
1029 1 52 LEU QD 1 54 GLN H 1.800 . 6.000 4.894 4.452 5.340 . 0 0 "[ . 1 . 2]" 1
1030 1 54 GLN HA 1 55 GLU H 1.800 . 3.500 3.525 3.521 3.527 0.027 16 0 "[ . 1 . 2]" 1
1031 1 52 LEU QB 1 54 GLN QG 1.800 . 5.000 5.221 5.046 5.280 0.280 1 0 "[ . 1 . 2]" 1
1032 1 55 GLU H 1 55 GLU HA 1.800 . 2.900 2.658 2.347 2.983 0.083 14 0 "[ . 1 . 2]" 1
1033 1 55 GLU H 1 55 GLU QG 1.800 . 2.900 2.415 1.977 2.649 . 0 0 "[ . 1 . 2]" 1
1034 1 55 GLU H 1 55 GLU QB 1.800 . 3.500 2.841 2.430 3.328 . 0 0 "[ . 1 . 2]" 1
1035 1 55 GLU HA 1 55 GLU QG 1.800 . 3.500 2.385 2.356 2.868 . 0 0 "[ . 1 . 2]" 1
1036 1 52 LEU QD 1 55 GLU H 1.800 . 5.000 4.776 4.349 5.062 0.062 16 0 "[ . 1 . 2]" 1
1037 1 53 ALA MB 1 55 GLU H 1.800 . 5.000 4.556 4.429 4.583 . 0 0 "[ . 1 . 2]" 1
1038 1 54 GLN QG 1 55 GLU H 1.800 . 3.500 3.615 2.009 3.719 0.219 2 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 50
_Distance_constraint_stats_list.Viol_count 130
_Distance_constraint_stats_list.Viol_total 213.218
_Distance_constraint_stats_list.Viol_max 0.268
_Distance_constraint_stats_list.Viol_rms 0.0337
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0820
_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 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 2.079 0.158 14 0 "[ . 1 . 2]"
1 5 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 1.651 0.180 10 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.955 0.133 14 0 "[ . 1 . 2]"
1 19 LEU 0.165 0.087 4 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.116 0.053 3 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 2.232 0.164 11 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 2.638 0.268 7 0 "[ . 1 . 2]"
1 43 LYS 0.143 0.029 16 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TRP 0.682 0.135 13 0 "[ . 1 . 2]"
2 1 ALA 0.682 0.135 13 0 "[ . 1 . 2]"
2 2 ARG 5.129 0.268 7 0 "[ . 1 . 2]"
2 3 THR 0.032 0.032 9 0 "[ . 1 . 2]"
2 4 LYS 3.783 0.180 10 0 "[ . 1 . 2]"
2 5 GLN 0.087 0.087 4 0 "[ . 1 . 2]"
2 6 THR 0.948 0.133 14 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 20 LEU QB 2 1 ALA MB 1.800 . 3.500 1.952 1.884 2.069 . 0 0 "[ . 1 . 2]" 2
2 1 42 PRO HA 2 1 ALA MB 1.800 . 7.000 4.222 3.958 4.286 . 0 0 "[ . 1 . 2]" 2
3 1 42 PRO QB 2 1 ALA MB 1.800 . 7.000 2.160 2.002 2.201 . 0 0 "[ . 1 . 2]" 2
4 1 43 LYS HA 2 1 ALA MB 1.800 . 7.000 5.085 4.856 5.170 . 0 0 "[ . 1 . 2]" 2
5 1 43 LYS QB 2 1 ALA MB 1.800 . 7.000 5.928 5.744 6.039 . 0 0 "[ . 1 . 2]" 2
6 1 46 TRP QB 2 1 ALA MB 1.800 . 7.000 2.292 2.208 2.602 . 0 0 "[ . 1 . 2]" 2
7 1 46 TRP HD1 2 1 ALA MB 1.800 . 7.000 4.909 4.832 5.060 . 0 0 "[ . 1 . 2]" 2
8 1 46 TRP HD1 2 1 ALA HA 1.800 . 7.000 7.032 6.952 7.135 0.135 13 0 "[ . 1 . 2]" 2
9 1 46 TRP HE3 2 1 ALA HA 1.800 . 7.000 2.237 2.189 2.277 . 0 0 "[ . 1 . 2]" 2
10 1 46 TRP HZ3 2 1 ALA HA 1.800 . 7.000 3.363 2.977 3.579 . 0 0 "[ . 1 . 2]" 2
11 1 22 CYS QB 2 2 ARG QD 1.800 . 7.000 6.935 6.713 7.053 0.053 3 0 "[ . 1 . 2]" 2
12 1 22 CYS QB 2 2 ARG QB 1.800 . 7.000 6.906 6.820 7.017 0.017 11 0 "[ . 1 . 2]" 2
13 1 22 CYS HA 2 2 ARG QG 1.800 . 7.000 6.208 5.916 6.559 . 0 0 "[ . 1 . 2]" 2
14 1 23 ASP H 2 2 ARG QD 1.800 . 7.000 4.995 4.788 5.117 . 0 0 "[ . 1 . 2]" 2
15 1 23 ASP H 2 2 ARG QG 1.800 . 7.000 5.762 5.470 6.105 . 0 0 "[ . 1 . 2]" 2
16 1 24 GLY QA 2 2 ARG QB 1.800 . 9.000 9.112 9.067 9.164 0.164 11 0 "[ . 1 . 2]" 2
17 1 42 PRO QB 2 2 ARG QB 1.800 . 7.000 6.768 6.639 6.819 . 0 0 "[ . 1 . 2]" 2
18 1 42 PRO QB 2 2 ARG QD 1.800 . 7.000 7.132 7.072 7.268 0.268 7 0 "[ . 1 . 2]" 2
19 1 43 LYS QB 2 2 ARG HG3 1.800 . 7.000 6.817 6.229 7.016 0.016 17 0 "[ . 1 . 2]" 2
20 1 43 LYS QB 2 2 ARG HG2 1.800 . 7.000 6.910 6.356 7.029 0.029 16 0 "[ . 1 . 2]" 2
21 1 44 GLY HA3 2 2 ARG QG 1.800 . 7.000 3.316 2.930 3.504 . 0 0 "[ . 1 . 2]" 2
22 1 44 GLY HA2 2 2 ARG QG 1.800 . 7.000 2.602 2.449 2.748 . 0 0 "[ . 1 . 2]" 2
23 1 16 GLU HA 2 3 THR H 1.800 . 8.000 7.443 7.145 7.782 . 0 0 "[ . 1 . 2]" 2
24 1 16 GLU HA 2 3 THR MG 1.800 . 7.000 3.756 2.599 5.740 . 0 0 "[ . 1 . 2]" 2
25 1 16 GLU HG3 2 3 THR MG 1.800 . 7.000 4.312 2.151 6.363 . 0 0 "[ . 1 . 2]" 2
26 1 16 GLU HG2 2 3 THR MG 1.800 . 6.000 4.541 2.141 6.032 0.032 9 0 "[ . 1 . 2]" 2
27 1 19 LEU QD 2 3 THR MG 1.800 . 7.000 4.821 4.174 6.022 . 0 0 "[ . 1 . 2]" 2
28 1 19 LEU QD 2 3 THR H 1.800 . 7.000 6.030 5.591 6.739 . 0 0 "[ . 1 . 2]" 2
29 1 20 LEU HA 2 3 THR H 1.800 . 7.000 4.887 4.728 5.012 . 0 0 "[ . 1 . 2]" 2
30 1 3 ASP QB 2 4 LYS QB 1.800 . 7.000 4.800 3.027 5.970 . 0 0 "[ . 1 . 2]" 2
31 1 3 ASP HB3 2 4 LYS QD 1.800 . 7.000 5.317 2.260 6.533 . 0 0 "[ . 1 . 2]" 2
32 1 3 ASP HB2 2 4 LYS QD 1.800 . 7.000 6.023 3.660 7.000 . 0 0 "[ . 1 . 2]" 2
33 1 3 ASP QB 2 4 LYS QG 1.800 . 7.000 4.033 3.355 5.669 . 0 0 "[ . 1 . 2]" 2
34 1 4 LEU HA 2 4 LYS QB 1.800 . 7.000 6.946 5.586 7.158 0.158 14 0 "[ . 1 . 2]" 2
35 1 4 LEU HA 2 4 LYS QG 1.800 . 7.000 6.121 5.168 7.100 0.100 20 0 "[ . 1 . 2]" 2
36 1 5 TYR QD 2 4 LYS QE 1.800 . 7.000 3.781 2.328 5.862 . 0 0 "[ . 1 . 2]" 2
37 1 6 VAL HB 2 4 LYS QB 1.800 . 7.000 6.343 5.888 7.074 0.074 12 0 "[ . 1 . 2]" 2
38 1 6 VAL HB 2 4 LYS QG 1.800 . 7.000 7.031 6.272 7.180 0.180 10 0 "[ . 1 . 2]" 2
39 1 19 LEU QD 2 4 LYS QB 1.800 . 7.000 1.970 1.749 2.286 0.051 11 0 "[ . 1 . 2]" 2
40 1 19 LEU QD 2 4 LYS QG 1.800 . 7.000 3.136 2.245 3.730 . 0 0 "[ . 1 . 2]" 2
41 1 28 SER HA 2 4 LYS QB 1.800 . 7.000 4.757 4.428 5.176 . 0 0 "[ . 1 . 2]" 2
42 1 28 SER HA 2 4 LYS QG 1.800 . 7.000 5.328 3.956 6.171 . 0 0 "[ . 1 . 2]" 2
43 1 19 LEU MD1 2 5 GLN QB 1.800 . 7.000 6.023 4.953 7.087 0.087 4 0 "[ . 1 . 2]" 2
44 1 14 ASN HB3 2 6 THR MG 1.800 . 7.000 4.354 4.054 5.040 . 0 0 "[ . 1 . 2]" 2
45 1 14 ASN HB2 2 6 THR MG 1.800 . 7.000 5.005 4.651 5.492 . 0 0 "[ . 1 . 2]" 2
46 1 14 ASN HB3 2 6 THR HG1 1.800 . 7.000 5.805 5.227 6.563 . 0 0 "[ . 1 . 2]" 2
47 1 14 ASN HB2 2 6 THR HG1 1.800 . 7.000 6.332 5.698 6.987 . 0 0 "[ . 1 . 2]" 2
48 1 16 GLU HG3 2 6 THR H 1.800 . 7.000 6.049 3.152 7.133 0.133 14 0 "[ . 1 . 2]" 2
49 1 16 GLU HG2 2 6 THR H 1.800 . 7.000 5.934 2.744 7.044 0.044 18 0 "[ . 1 . 2]" 2
50 1 19 LEU MD1 2 6 THR H 1.800 . 7.000 5.733 4.368 7.025 0.025 4 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 35
_Distance_constraint_stats_list.Viol_count 309
_Distance_constraint_stats_list.Viol_total 614.328
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0696
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0439
_Distance_constraint_stats_list.Viol_average_violations_only 0.0994
_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 3 ASP 0.316 0.043 20 0 "[ . 1 . 2]"
1 7 CYS 0.565 0.096 12 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 CYS 0.565 0.096 12 0 "[ . 1 . 2]"
1 14 ASN 7.250 0.257 5 0 "[ . 1 . 2]"
1 16 GLU 0.440 0.041 12 0 "[ . 1 . 2]"
1 19 LEU 7.311 0.326 17 0 "[ . 1 . 2]"
1 20 LEU 0.415 0.063 20 0 "[ . 1 . 2]"
1 21 LEU 3.522 0.142 4 0 "[ . 1 . 2]"
1 22 CYS 6.017 0.243 4 0 "[ . 1 . 2]"
1 27 ASP 6.017 0.243 4 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 0.415 0.063 20 0 "[ . 1 . 2]"
1 30 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 2.137 0.129 12 0 "[ . 1 . 2]"
1 44 GLY 1.393 0.101 3 0 "[ . 1 . 2]"
1 48 CYS 1.012 0.128 5 0 "[ . 1 . 2]"
1 49 PRO 0.338 0.045 8 0 "[ . 1 . 2]"
1 51 CYS 1.012 0.128 5 0 "[ . 1 . 2]"
1 52 LEU 0.338 0.045 8 0 "[ . 1 . 2]"
2 1 ALA 3.530 0.129 12 0 "[ . 1 . 2]"
2 2 ARG 3.522 0.142 4 0 "[ . 1 . 2]"
2 3 THR 0.440 0.041 12 0 "[ . 1 . 2]"
2 4 LYS 7.628 0.326 17 0 "[ . 1 . 2]"
2 6 THR 7.250 0.257 5 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 14 ASN H 2 6 THR O 2.000 . 4.500 4.447 3.877 4.564 0.064 16 0 "[ . 1 . 2]" 3
2 1 14 ASN N 2 6 THR O 3.000 2.600 3.700 3.840 3.355 3.945 0.245 16 0 "[ . 1 . 2]" 3
3 1 14 ASN O 2 6 THR H 2.000 . 3.200 3.205 3.122 3.283 0.083 5 0 "[ . 1 . 2]" 3
4 1 14 ASN O 2 6 THR N 3.000 2.600 4.000 4.173 4.102 4.257 0.257 5 0 "[ . 1 . 2]" 3
5 1 19 LEU H 2 4 LYS O 2.000 . 3.800 4.056 3.985 4.126 0.326 17 0 "[ . 1 . 2]" 3
6 1 19 LEU N 2 4 LYS O 3.000 2.600 4.500 4.610 4.546 4.662 0.162 7 0 "[ . 1 . 2]" 3
7 1 19 LEU O 2 4 LYS H 2.000 . 2.800 2.325 2.180 2.527 . 0 0 "[ . 1 . 2]" 3
8 1 19 LEU O 2 4 LYS N 3.000 2.600 3.500 3.188 3.027 3.350 . 0 0 "[ . 1 . 2]" 3
9 1 21 LEU H 2 2 ARG O 2.000 . 2.500 1.944 1.850 2.075 . 0 0 "[ . 1 . 2]" 3
10 1 21 LEU N 2 2 ARG O 3.000 2.600 3.500 2.835 2.742 2.980 . 0 0 "[ . 1 . 2]" 3
11 1 21 LEU O 2 2 ARG H 2.000 . 2.500 2.621 2.584 2.642 0.142 4 0 "[ . 1 . 2]" 3
12 1 21 LEU O 2 2 ARG N 3.000 2.600 3.500 3.555 3.505 3.586 0.086 4 0 "[ . 1 . 2]" 3
13 1 42 PRO O 2 1 ALA N 3.000 2.600 3.500 3.607 3.557 3.629 0.129 12 0 "[ . 1 . 2]" 3
14 1 44 GLY O 2 1 ALA N 3.000 2.600 3.500 3.570 3.542 3.601 0.101 3 0 "[ . 1 . 2]" 3
15 1 16 GLU O 2 3 THR HG1 2.000 . 2.500 2.454 1.797 2.541 0.041 12 0 "[ . 1 . 2]" 3
16 1 16 GLU O 2 3 THR OG1 3.000 2.600 3.500 3.313 2.567 3.445 0.033 9 0 "[ . 1 . 2]" 3
17 1 3 ASP OD1 2 4 LYS NZ 3.000 2.600 3.500 3.200 2.586 3.543 0.043 20 0 "[ . 1 . 2]" 3
18 1 3 ASP OD1 2 4 LYS QZ 2.000 . 2.500 2.261 1.626 2.530 0.030 12 0 "[ . 1 . 2]" 3
19 1 22 CYS H 1 27 ASP O 2.000 . 2.500 2.608 2.564 2.654 0.154 10 0 "[ . 1 . 2]" 3
20 1 22 CYS N 1 27 ASP O 3.000 2.600 3.500 3.325 3.288 3.360 . 0 0 "[ . 1 . 2]" 3
21 1 22 CYS O 1 27 ASP N 3.000 2.600 4.200 4.393 4.368 4.443 0.243 4 0 "[ . 1 . 2]" 3
22 1 20 LEU O 1 29 TYR H 2.000 . 2.500 2.160 2.068 2.280 . 0 0 "[ . 1 . 2]" 3
23 1 20 LEU O 1 29 TYR N 3.000 2.600 3.500 3.003 2.934 3.117 . 0 0 "[ . 1 . 2]" 3
24 1 20 LEU H 1 29 TYR O 2.000 . 2.500 1.661 1.625 1.700 . 0 0 "[ . 1 . 2]" 3
25 1 20 LEU N 1 29 TYR O 3.000 2.600 3.500 2.586 2.537 2.642 0.063 20 0 "[ . 1 . 2]" 3
26 1 30 HIS O 1 33 CYS H 2.000 . 2.500 2.270 2.197 2.431 . 0 0 "[ . 1 . 2]" 3
27 1 30 HIS O 1 33 CYS N 3.000 2.600 3.500 2.969 2.917 3.121 . 0 0 "[ . 1 . 2]" 3
28 1 48 CYS O 1 51 CYS H 2.000 . 2.500 2.518 2.372 2.628 0.128 5 0 "[ . 1 . 2]" 3
29 1 48 CYS O 1 51 CYS N 3.000 2.600 3.500 3.255 3.093 3.418 . 0 0 "[ . 1 . 2]" 3
30 1 49 PRO O 1 52 LEU H 2.000 . 2.500 2.480 2.377 2.545 0.045 8 0 "[ . 1 . 2]" 3
31 1 49 PRO O 1 52 LEU N 3.000 2.600 3.500 3.067 3.028 3.129 . 0 0 "[ . 1 . 2]" 3
32 1 8 LEU H 1 28 SER O 2.000 . 2.500 1.932 1.657 2.104 . 0 0 "[ . 1 . 2]" 3
33 1 8 LEU N 1 28 SER O 3.000 2.600 3.500 2.885 2.630 3.026 . 0 0 "[ . 1 . 2]" 3
34 1 7 CYS O 1 10 CYS H 2.000 . 2.500 2.527 2.489 2.596 0.096 12 0 "[ . 1 . 2]" 3
35 1 7 CYS O 1 10 CYS N 3.000 2.600 3.500 3.002 2.971 3.074 . 0 0 "[ . 1 . 2]" 3
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