NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483607 |
1yui   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yui
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 938
_Distance_constraint_stats_list.Viol_count 71
_Distance_constraint_stats_list.Viol_total 5.471
_Distance_constraint_stats_list.Viol_max 0.295
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0771
_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 DG 0.000 0.000 . 0 "[ ]"
1 2 DC 0.002 0.002 1 0 "[ ]"
1 3 DC 0.000 0.000 . 0 "[ ]"
1 4 DG 0.035 0.025 1 0 "[ ]"
1 5 DA 0.010 0.010 1 0 "[ ]"
1 6 DG 0.208 0.140 1 0 "[ ]"
1 7 DA 0.016 0.016 1 0 "[ ]"
1 8 DG 0.219 0.154 1 0 "[ ]"
1 9 DT 0.202 0.154 1 0 "[ ]"
1 10 DA 0.138 0.070 1 0 "[ ]"
1 11 DC 0.150 0.070 1 0 "[ ]"
2 1 DG 0.257 0.162 1 0 "[ ]"
2 2 DT 0.257 0.162 1 0 "[ ]"
2 3 DA 0.147 0.131 1 0 "[ ]"
2 4 DC 0.424 0.205 1 0 "[ ]"
2 5 DT 0.179 0.084 1 0 "[ ]"
2 6 DC 0.413 0.133 1 0 "[ ]"
2 7 DT 0.718 0.168 1 0 "[ ]"
2 8 DC 0.090 0.075 1 0 "[ ]"
2 9 DG 0.168 0.165 1 0 "[ ]"
2 10 DG 0.165 0.165 1 0 "[ ]"
2 11 DC 0.000 0.000 . 0 "[ ]"
3 1 PRO 0.021 0.021 1 0 "[ ]"
3 2 LYS 0.279 0.258 1 0 "[ ]"
3 3 ALA 0.297 0.295 1 0 "[ ]"
3 4 LYS 0.369 0.295 1 0 "[ ]"
3 5 ARG 0.578 0.235 1 0 "[ ]"
3 6 ALA 0.255 0.235 1 0 "[ ]"
3 7 LYS 0.095 0.068 1 0 "[ ]"
3 8 HIS 0.000 0.000 . 0 "[ ]"
3 9 PRO 0.000 0.000 . 0 "[ ]"
3 10 PRO 0.000 0.000 . 0 "[ ]"
3 11 GLY 0.000 0.000 . 0 "[ ]"
3 12 THR 0.270 0.201 1 0 "[ ]"
3 13 GLU 0.201 0.201 1 0 "[ ]"
3 14 LYS 0.140 0.140 1 0 "[ ]"
3 15 PRO 0.000 0.000 . 0 "[ ]"
3 16 ARG 0.000 0.000 . 0 "[ ]"
3 17 SER 0.000 0.000 . 0 "[ ]"
3 18 ARG 0.264 0.205 1 0 "[ ]"
3 19 SER 0.059 0.059 1 0 "[ ]"
3 20 GLN 0.000 0.000 . 0 "[ ]"
3 21 SER 0.000 0.000 . 0 "[ ]"
3 22 GLU 0.000 0.000 . 0 "[ ]"
3 23 GLN 0.000 0.000 . 0 "[ ]"
3 24 PRO 0.191 0.076 1 0 "[ ]"
3 25 ALA 0.375 0.243 1 0 "[ ]"
3 26 THR 0.282 0.078 1 0 "[ ]"
3 27 CYS 0.150 0.094 1 0 "[ ]"
3 28 PRO 0.050 0.050 1 0 "[ ]"
3 29 ILE 0.241 0.089 1 0 "[ ]"
3 30 CYS 0.089 0.089 1 0 "[ ]"
3 31 TYR 0.050 0.041 1 0 "[ ]"
3 32 ALA 0.000 0.000 . 0 "[ ]"
3 33 VAL 0.127 0.078 1 0 "[ ]"
3 34 ILE 0.000 0.000 . 0 "[ ]"
3 35 ARG 0.326 0.243 1 0 "[ ]"
3 36 GLN 0.000 0.000 . 0 "[ ]"
3 37 SER 0.000 0.000 . 0 "[ ]"
3 38 ARG 0.023 0.023 1 0 "[ ]"
3 39 ASN 0.000 0.000 . 0 "[ ]"
3 40 LEU 0.236 0.236 1 0 "[ ]"
3 41 ARG 0.000 0.000 . 0 "[ ]"
3 42 ARG 0.326 0.236 1 0 "[ ]"
3 43 HIS 0.026 0.026 1 0 "[ ]"
3 44 LEU 0.094 0.094 1 0 "[ ]"
3 45 GLU 0.094 0.093 1 0 "[ ]"
3 46 LEU 0.080 0.080 1 0 "[ ]"
3 47 ARG 0.065 0.065 1 0 "[ ]"
3 48 HIS 0.000 0.000 . 0 "[ ]"
3 49 PHE 0.104 0.089 1 0 "[ ]"
3 50 ALA 0.183 0.093 1 0 "[ ]"
3 51 LYS 0.000 0.000 . 0 "[ ]"
3 52 PRO 0.000 0.000 . 0 "[ ]"
3 53 GLY 0.000 0.000 . 0 "[ ]"
3 54 VAL 0.000 0.000 . 0 "[ ]"
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 3 1 PRO HA 3 1 PRO QD 4.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
2 3 1 PRO HA 3 2 LYS H 3.000 . 3.500 3.394 3.394 3.394 . 0 0 "[ ]" 1
3 3 1 PRO HB3 3 2 LYS H 3.000 . 3.500 3.268 3.268 3.268 . 0 0 "[ ]" 1
4 3 1 PRO HB2 3 2 LYS H 4.000 . 5.000 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
5 3 1 PRO QD 3 2 LYS H 4.000 . 5.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
6 3 2 LYS H 3 2 LYS HA 3.000 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
7 3 2 LYS H 3 2 LYS QB 2.500 . 2.900 2.764 2.764 2.764 . 0 0 "[ ]" 1
8 3 2 LYS H 3 2 LYS QG 2.500 . 2.900 3.158 3.158 3.158 0.258 1 0 "[ ]" 1
9 3 2 LYS HA 3 2 LYS QB 2.500 . 2.700 2.355 2.355 2.355 . 0 0 "[ ]" 1
10 3 2 LYS HA 3 2 LYS QE 4.000 . 5.000 4.170 4.170 4.170 . 0 0 "[ ]" 1
11 3 2 LYS QB 3 3 ALA H 4.000 . 5.000 1.867 1.867 1.867 . 0 0 "[ ]" 1
12 3 2 LYS QG 3 3 ALA H 4.000 . 6.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
13 3 3 ALA H 3 3 ALA HA 2.500 . 2.900 2.901 2.901 2.901 0.001 1 0 "[ ]" 1
14 3 3 ALA H 3 3 ALA MB 2.500 . 3.400 2.750 2.750 2.750 . 0 0 "[ ]" 1
15 3 3 ALA MB 3 4 LYS H 2.500 . 3.400 3.695 3.695 3.695 0.295 1 0 "[ ]" 1
16 3 4 LYS H 3 4 LYS HA 2.500 . 2.900 2.925 2.925 2.925 0.025 1 0 "[ ]" 1
17 3 4 LYS H 3 4 LYS QB 3.000 . 3.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
18 3 4 LYS H 3 4 LYS QG 4.000 . 5.000 1.751 1.751 1.751 0.049 1 0 "[ ]" 1
19 3 4 LYS H 3 5 ARG H 4.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
20 3 4 LYS HA 3 5 ARG H 4.000 . 5.000 2.204 2.204 2.204 . 0 0 "[ ]" 1
21 3 5 ARG H 3 5 ARG HA 2.500 . 2.900 2.881 2.881 2.881 . 0 0 "[ ]" 1
22 3 5 ARG H 3 5 ARG QB 2.500 . 2.900 2.510 2.510 2.510 . 0 0 "[ ]" 1
23 3 5 ARG H 3 5 ARG QG 4.000 . 5.000 1.916 1.916 1.916 . 0 0 "[ ]" 1
24 3 5 ARG H 3 5 ARG QD 4.000 . 6.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
25 3 5 ARG HA 3 5 ARG QB 2.500 . 2.700 2.330 2.330 2.330 . 0 0 "[ ]" 1
26 3 5 ARG HA 3 5 ARG QG 3.000 . 3.300 2.392 2.392 2.392 . 0 0 "[ ]" 1
27 3 5 ARG HA 3 5 ARG QD 4.000 . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
28 3 5 ARG H 3 6 ALA H 4.000 . 5.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
29 3 5 ARG QB 3 6 ALA H 3.000 . 3.500 3.735 3.735 3.735 0.235 1 0 "[ ]" 1
30 3 5 ARG QG 3 6 ALA H 4.000 . 5.000 4.274 4.274 4.274 . 0 0 "[ ]" 1
31 3 5 ARG QD 3 6 ALA H 4.000 . 6.000 5.885 5.885 5.885 . 0 0 "[ ]" 1
32 3 6 ALA H 3 6 ALA HA 2.500 . 2.900 2.920 2.920 2.920 0.020 1 0 "[ ]" 1
33 3 6 ALA H 3 6 ALA MB 2.500 . 3.400 2.259 2.259 2.259 . 0 0 "[ ]" 1
34 3 6 ALA H 3 7 LYS H 4.000 . 5.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
35 3 6 ALA MB 3 7 LYS H 2.500 . 3.400 3.233 3.233 3.233 . 0 0 "[ ]" 1
36 3 7 LYS H 3 7 LYS HA 2.500 . 2.900 2.968 2.968 2.968 0.068 1 0 "[ ]" 1
37 3 7 LYS H 3 7 LYS QB 3.000 . 3.500 2.635 2.635 2.635 . 0 0 "[ ]" 1
38 3 7 LYS H 3 7 LYS QG 3.000 . 3.500 2.058 2.058 2.058 . 0 0 "[ ]" 1
39 3 7 LYS H 3 8 HIS H 3.000 . 3.700 2.515 2.515 2.515 . 0 0 "[ ]" 1
40 3 7 LYS HA 3 8 HIS H 3.000 . 3.500 3.129 3.129 3.129 . 0 0 "[ ]" 1
41 3 7 LYS QB 3 8 HIS H 4.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
42 3 7 LYS QG 3 8 HIS H 4.000 . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
43 3 8 HIS H 3 8 HIS HA 3.000 . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
44 3 8 HIS H 3 8 HIS QB 2.500 . 2.900 2.076 2.076 2.076 . 0 0 "[ ]" 1
45 3 8 HIS HA 3 8 HIS QB 2.500 . 2.700 2.568 2.568 2.568 . 0 0 "[ ]" 1
46 3 8 HIS HA 3 8 HIS HD1 4.000 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
47 3 8 HIS QB 3 8 HIS HD1 3.000 . 3.300 2.337 2.337 2.337 . 0 0 "[ ]" 1
48 3 8 HIS HA 3 9 PRO QB 4.000 . 6.000 5.537 5.537 5.537 . 0 0 "[ ]" 1
49 3 8 HIS HA 3 9 PRO QG 4.000 . 6.000 5.257 5.257 5.257 . 0 0 "[ ]" 1
50 3 8 HIS QB 3 9 PRO QD 4.000 . 5.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
51 3 9 PRO HA 3 9 PRO HB3 2.500 . 2.700 2.328 2.328 2.328 . 0 0 "[ ]" 1
52 3 9 PRO HB3 3 9 PRO HD3 4.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
53 3 9 PRO HB2 3 9 PRO HD3 4.000 . 5.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
54 3 9 PRO HB3 3 9 PRO HD2 4.000 . 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
55 3 9 PRO HB2 3 9 PRO HD2 4.000 . 5.000 2.942 2.942 2.942 . 0 0 "[ ]" 1
56 3 9 PRO HA 3 10 PRO HD3 2.500 . 2.700 2.359 2.359 2.359 . 0 0 "[ ]" 1
57 3 9 PRO HA 3 10 PRO HD2 2.500 . 2.700 2.356 2.356 2.356 . 0 0 "[ ]" 1
58 3 10 PRO HA 3 10 PRO QD 4.000 . 5.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
59 3 10 PRO HA 3 11 GLY H 3.000 . 3.500 2.527 2.527 2.527 . 0 0 "[ ]" 1
60 3 10 PRO HB3 3 11 GLY H 3.000 . 3.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
61 3 10 PRO HB2 3 11 GLY H 3.000 . 3.500 2.490 2.490 2.490 . 0 0 "[ ]" 1
62 3 10 PRO QD 3 11 GLY H 4.000 . 5.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
63 3 10 PRO HA 3 12 THR H 4.000 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
64 3 10 PRO HB2 3 12 THR H 4.000 . 6.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
65 3 11 GLY H 3 11 GLY QA 2.500 . 2.900 2.258 2.258 2.258 . 0 0 "[ ]" 1
66 3 11 GLY H 3 12 THR H 4.000 . 5.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
67 3 11 GLY HA3 3 12 THR H 3.000 . 3.500 3.490 3.490 3.490 . 0 0 "[ ]" 1
68 3 11 GLY HA2 3 12 THR H 3.000 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
69 3 11 GLY HA3 3 13 GLU H 4.000 . 5.000 4.966 4.966 4.966 . 0 0 "[ ]" 1
70 3 11 GLY HA2 3 13 GLU H 4.000 . 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
71 3 12 THR H 3 12 THR HA 3.000 . 3.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
72 3 12 THR H 3 12 THR HB 4.000 . 5.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
73 3 12 THR H 3 12 THR MG 3.000 . 4.000 1.751 1.751 1.751 0.049 1 0 "[ ]" 1
74 3 12 THR HA 3 12 THR HB 3.000 . 3.300 2.429 2.429 2.429 . 0 0 "[ ]" 1
75 3 12 THR HA 3 12 THR MG 2.500 . 3.200 3.219 3.219 3.219 0.019 1 0 "[ ]" 1
76 3 12 THR H 3 13 GLU H 4.000 2.500 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
77 3 12 THR MG 3 13 GLU H 3.000 . 4.000 4.201 4.201 4.201 0.201 1 0 "[ ]" 1
78 3 13 GLU H 3 13 GLU QB 2.500 . 2.900 2.539 2.539 2.539 . 0 0 "[ ]" 1
79 3 13 GLU H 3 13 GLU QG 3.000 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
80 3 13 GLU HA 3 13 GLU QB 2.500 . 2.700 2.332 2.332 2.332 . 0 0 "[ ]" 1
81 3 13 GLU HA 3 13 GLU QG 3.000 . 3.300 2.403 2.403 2.403 . 0 0 "[ ]" 1
82 3 13 GLU H 3 14 LYS H 4.000 . 5.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
83 3 13 GLU HA 3 14 LYS H 3.000 . 3.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
84 3 13 GLU QB 3 14 LYS H 4.000 . 5.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
85 3 13 GLU QG 3 14 LYS H 4.000 . 5.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
86 3 14 LYS H 3 14 LYS HA 3.000 . 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
87 3 14 LYS H 3 14 LYS QB 2.500 . 2.900 2.671 2.671 2.671 . 0 0 "[ ]" 1
88 3 14 LYS H 3 14 LYS QG 4.000 . 5.000 2.231 2.231 2.231 . 0 0 "[ ]" 1
89 3 14 LYS HA 3 14 LYS QB 2.500 . 2.700 2.270 2.270 2.270 . 0 0 "[ ]" 1
90 3 14 LYS HA 3 14 LYS QD 4.000 . 5.000 4.134 4.134 4.134 . 0 0 "[ ]" 1
91 3 14 LYS HA 3 15 PRO QD 3.000 . 3.300 2.194 2.194 2.194 . 0 0 "[ ]" 1
92 3 14 LYS QB 3 15 PRO QD 4.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
93 3 14 LYS QG 3 15 PRO QD 4.000 . 5.000 4.068 4.068 4.068 . 0 0 "[ ]" 1
94 3 15 PRO HA 3 15 PRO HB3 2.500 . 2.700 2.312 2.312 2.312 . 0 0 "[ ]" 1
95 3 15 PRO HA 3 16 ARG H 3.000 . 3.500 2.252 2.252 2.252 . 0 0 "[ ]" 1
96 3 15 PRO HB3 3 16 ARG H 4.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
97 3 15 PRO HB2 3 16 ARG H 4.000 . 6.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
98 3 15 PRO HD3 3 16 ARG H 4.000 . 6.000 5.627 5.627 5.627 . 0 0 "[ ]" 1
99 3 15 PRO HD2 3 16 ARG H 4.000 . 6.000 5.674 5.674 5.674 . 0 0 "[ ]" 1
100 3 16 ARG H 3 16 ARG QB 2.500 . 2.900 2.379 2.379 2.379 . 0 0 "[ ]" 1
101 3 16 ARG H 3 16 ARG QG 4.000 . 5.000 2.266 2.266 2.266 . 0 0 "[ ]" 1
102 3 16 ARG HA 3 16 ARG QD 4.000 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
103 3 16 ARG QB 3 16 ARG HE 4.000 3.500 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
104 3 16 ARG HE 3 16 ARG QG 3.000 . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
105 3 16 ARG H 3 17 SER H 4.000 . 5.000 2.669 2.669 2.669 . 0 0 "[ ]" 1
106 3 16 ARG HA 3 17 SER H 3.000 . 3.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
107 3 16 ARG QB 3 17 SER H 4.000 . 5.000 3.283 3.283 3.283 . 0 0 "[ ]" 1
108 3 16 ARG QG 3 17 SER H 4.000 . 5.000 4.323 4.323 4.323 . 0 0 "[ ]" 1
109 3 17 SER H 3 17 SER QB 3.000 . 3.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
110 3 17 SER HA 3 17 SER QB 2.500 . 2.700 2.388 2.388 2.388 . 0 0 "[ ]" 1
111 3 17 SER H 3 18 ARG H 4.000 . 5.000 2.691 2.691 2.691 . 0 0 "[ ]" 1
112 3 17 SER HA 3 18 ARG H 3.000 . 3.500 3.216 3.216 3.216 . 0 0 "[ ]" 1
113 3 17 SER QB 3 18 ARG H 4.000 . 5.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
114 3 17 SER QB 3 19 SER H 4.000 . 6.000 5.315 5.315 5.315 . 0 0 "[ ]" 1
115 3 17 SER HA 3 20 GLN QB 4.000 . 5.000 3.044 3.044 3.044 . 0 0 "[ ]" 1
116 3 17 SER HA 3 20 GLN QG 4.000 . 5.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
117 3 18 ARG H 3 18 ARG QB 2.500 . 2.900 2.651 2.651 2.651 . 0 0 "[ ]" 1
118 3 18 ARG H 3 18 ARG QG 4.000 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
119 3 18 ARG HA 3 18 ARG QB 2.500 . 2.700 2.307 2.307 2.307 . 0 0 "[ ]" 1
120 3 18 ARG HA 3 18 ARG QG 3.000 . 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 1
121 3 18 ARG HA 3 18 ARG QD 4.000 . 5.000 2.345 2.345 2.345 . 0 0 "[ ]" 1
122 3 18 ARG H 3 19 SER H 3.000 . 3.500 2.098 2.098 2.098 . 0 0 "[ ]" 1
123 3 18 ARG HA 3 19 SER H 3.000 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
124 3 18 ARG QB 3 19 SER H 4.000 . 5.000 2.478 2.478 2.478 . 0 0 "[ ]" 1
125 3 18 ARG QG 3 19 SER H 4.000 . 6.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
126 3 18 ARG HA 3 20 GLN H 4.000 . 6.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
127 3 19 SER H 3 19 SER QB 3.000 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
128 3 19 SER HA 3 19 SER QB 2.500 . 2.700 2.191 2.191 2.191 . 0 0 "[ ]" 1
129 3 19 SER H 3 20 GLN H 4.000 . 5.000 2.212 2.212 2.212 . 0 0 "[ ]" 1
130 3 19 SER HA 3 20 GLN H 3.000 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
131 3 19 SER QB 3 20 GLN H 4.000 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
132 3 19 SER QB 3 21 SER H 4.000 . 6.000 5.237 5.237 5.237 . 0 0 "[ ]" 1
133 3 19 SER HA 3 22 GLU QB 4.000 . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
134 3 19 SER HA 3 22 GLU QG 4.000 . 5.000 3.274 3.274 3.274 . 0 0 "[ ]" 1
135 3 19 SER QB 3 36 GLN QG 4.000 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
136 3 19 SER HA 3 36 GLN QG 4.000 . 6.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
137 3 20 GLN H 3 20 GLN HA 3.000 . 3.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
138 3 20 GLN H 3 20 GLN QB 2.500 . 2.900 2.292 2.292 2.292 . 0 0 "[ ]" 1
139 3 20 GLN H 3 20 GLN QG 4.000 . 5.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
140 3 20 GLN HA 3 20 GLN QB 2.500 . 2.700 2.397 2.397 2.397 . 0 0 "[ ]" 1
141 3 20 GLN HA 3 20 GLN QG 3.000 . 3.300 2.287 2.287 2.287 . 0 0 "[ ]" 1
142 3 20 GLN HA 3 21 SER H 4.000 . 6.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
143 3 20 GLN HA 3 22 GLU H 4.000 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
144 3 20 GLN H 3 22 GLU H 4.000 . 6.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
145 3 20 GLN H 3 21 SER H 4.000 . 5.000 2.537 2.537 2.537 . 0 0 "[ ]" 1
146 3 20 GLN QB 3 21 SER H 4.000 . 5.000 2.544 2.544 2.544 . 0 0 "[ ]" 1
147 3 20 GLN QG 3 21 SER H 4.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
148 3 21 SER H 3 21 SER QB 3.000 . 3.500 2.564 2.564 2.564 . 0 0 "[ ]" 1
149 3 21 SER HA 3 21 SER QB 2.500 . 2.700 2.352 2.352 2.352 . 0 0 "[ ]" 1
150 3 21 SER H 3 22 GLU H 4.000 . 5.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
151 3 21 SER HA 3 22 GLU H 4.000 . 6.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
152 3 21 SER QB 3 22 GLU H 4.000 . 6.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
153 3 22 GLU H 3 22 GLU QB 3.000 . 3.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
154 3 22 GLU H 3 22 GLU QG 4.000 . 5.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
155 3 22 GLU HA 3 22 GLU QB 2.500 . 2.700 2.359 2.359 2.359 . 0 0 "[ ]" 1
156 3 22 GLU HA 3 22 GLU QG 3.000 . 3.300 2.854 2.854 2.854 . 0 0 "[ ]" 1
157 3 22 GLU H 3 23 GLN H 4.000 . 5.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
158 3 22 GLU HA 3 23 GLN H 4.000 . 5.000 2.272 2.272 2.272 . 0 0 "[ ]" 1
159 3 23 GLN H 3 23 GLN QB 3.000 . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
160 3 23 GLN H 3 23 GLN QG 4.000 . 5.000 2.811 2.811 2.811 . 0 0 "[ ]" 1
161 3 23 GLN HA 3 23 GLN QB 2.500 . 2.700 2.379 2.379 2.379 . 0 0 "[ ]" 1
162 3 23 GLN HA 3 24 PRO QD 3.000 . 3.300 2.122 2.122 2.122 . 0 0 "[ ]" 1
163 3 23 GLN QB 3 24 PRO QD 4.000 . 5.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
164 3 23 GLN QG 3 24 PRO QD 4.000 . 6.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
165 3 23 GLN H 3 37 SER H 4.000 . 5.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
166 3 23 GLN H 3 37 SER QB 4.000 . 6.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
167 3 24 PRO HA 3 24 PRO HB3 2.500 . 2.700 2.319 2.319 2.319 . 0 0 "[ ]" 1
168 3 24 PRO HA 3 24 PRO HD3 4.000 . 5.000 3.306 3.306 3.306 . 0 0 "[ ]" 1
169 3 24 PRO HA 3 24 PRO HD2 4.000 . 5.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
170 3 24 PRO HA 3 25 ALA H 4.000 . 5.000 2.320 2.320 2.320 . 0 0 "[ ]" 1
171 3 24 PRO HB3 3 25 ALA H 3.000 . 3.500 3.110 3.110 3.110 . 0 0 "[ ]" 1
172 3 24 PRO HB2 3 25 ALA H 3.000 . 3.500 3.576 3.576 3.576 0.076 1 0 "[ ]" 1
173 3 24 PRO QB 3 25 ALA H 2.500 . 2.900 2.929 2.929 2.929 0.029 1 0 "[ ]" 1
174 3 24 PRO QG 3 25 ALA H 4.000 . 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
175 3 24 PRO QD 3 25 ALA H 4.000 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
176 3 24 PRO QB 3 26 THR H 4.000 . 6.000 5.233 5.233 5.233 . 0 0 "[ ]" 1
177 3 24 PRO HA 3 35 ARG HA 2.500 . 2.700 2.325 2.325 2.325 . 0 0 "[ ]" 1
178 3 24 PRO HA 3 35 ARG QB 4.000 . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
179 3 24 PRO HA 3 33 VAL MG1 4.000 . 5.500 4.737 4.737 4.737 . 0 0 "[ ]" 1
180 3 24 PRO HB3 3 35 ARG HA 4.000 . 6.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
181 3 24 PRO HB2 3 35 ARG HA 4.000 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
182 3 24 PRO HB3 3 33 VAL MG1 4.000 . 5.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
183 3 24 PRO HB2 3 33 VAL MG1 4.000 . 5.500 5.048 5.048 5.048 . 0 0 "[ ]" 1
184 3 24 PRO QG 3 33 VAL MG1 4.000 . 6.500 5.154 5.154 5.154 . 0 0 "[ ]" 1
185 3 25 ALA H 3 25 ALA MB 2.500 . 3.400 2.709 2.709 2.709 . 0 0 "[ ]" 1
186 3 25 ALA H 3 26 THR H 4.000 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
187 3 25 ALA HA 3 26 THR H 3.000 . 3.500 2.199 2.199 2.199 . 0 0 "[ ]" 1
188 3 25 ALA MB 3 26 THR H 2.500 . 3.400 3.134 3.134 3.134 . 0 0 "[ ]" 1
189 3 25 ALA H 3 33 VAL HA 4.000 . 5.000 4.901 4.901 4.901 . 0 0 "[ ]" 1
190 3 25 ALA H 3 33 VAL MG1 4.000 . 5.500 3.729 3.729 3.729 . 0 0 "[ ]" 1
191 3 25 ALA H 3 33 VAL MG2 4.000 . 6.500 5.803 5.803 5.803 . 0 0 "[ ]" 1
192 3 25 ALA H 3 35 ARG HA 3.000 . 3.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
193 3 25 ALA H 3 35 ARG QD 4.000 . 6.000 6.243 6.243 6.243 0.243 1 0 "[ ]" 1
194 3 25 ALA H 3 37 SER HA 4.000 . 6.000 5.548 5.548 5.548 . 0 0 "[ ]" 1
195 3 25 ALA MB 3 26 THR HA 4.000 . 6.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
196 3 25 ALA HA 3 37 SER HA 4.000 . 5.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
197 3 25 ALA MB 3 37 SER HA 3.000 . 3.300 2.373 2.373 2.373 . 0 0 "[ ]" 1
198 3 25 ALA HA 3 37 SER QB 4.000 . 6.000 5.050 5.050 5.050 . 0 0 "[ ]" 1
199 3 25 ALA MB 3 37 SER QB 3.000 . 3.800 3.098 3.098 3.098 . 0 0 "[ ]" 1
200 3 25 ALA HA 3 40 LEU QD 4.000 . 5.500 3.660 3.660 3.660 . 0 0 "[ ]" 1
201 3 25 ALA MB 3 40 LEU QD 2.500 . 3.700 2.114 2.114 2.114 . 0 0 "[ ]" 1
202 3 25 ALA MB 3 40 LEU QB 3.000 . 3.800 2.214 2.214 2.214 . 0 0 "[ ]" 1
203 3 25 ALA MB 3 40 LEU HG 4.000 . 5.500 4.384 4.384 4.384 . 0 0 "[ ]" 1
204 3 26 THR H 3 26 THR HB 2.500 . 2.900 2.600 2.600 2.600 . 0 0 "[ ]" 1
205 3 26 THR H 3 26 THR MG 3.000 . 3.800 3.854 3.854 3.854 0.054 1 0 "[ ]" 1
206 3 26 THR HA 3 26 THR HB 3.000 . 3.300 3.032 3.032 3.032 . 0 0 "[ ]" 1
207 3 26 THR HA 3 26 THR MG 3.000 . 3.800 2.333 2.333 2.333 . 0 0 "[ ]" 1
208 3 26 THR H 3 27 CYS H 4.000 . 5.000 4.547 4.547 4.547 . 0 0 "[ ]" 1
209 3 26 THR HA 3 27 CYS H 4.000 . 5.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
210 3 26 THR HB 3 27 CYS H 4.000 . 5.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
211 3 26 THR MG 3 27 CYS H 2.500 . 3.400 2.106 2.106 2.106 . 0 0 "[ ]" 1
212 3 26 THR MG 3 31 TYR H 3.000 . 4.000 4.009 4.009 4.009 0.009 1 0 "[ ]" 1
213 3 26 THR MG 3 32 ALA H 4.000 . 5.500 4.037 4.037 4.037 . 0 0 "[ ]" 1
214 3 26 THR HA 3 32 ALA H 4.000 . 6.000 5.381 5.381 5.381 . 0 0 "[ ]" 1
215 3 26 THR HA 3 33 VAL H 4.000 . 6.000 4.913 4.913 4.913 . 0 0 "[ ]" 1
216 3 26 THR H 3 33 VAL HA 4.000 . 5.000 5.078 5.078 5.078 0.078 1 0 "[ ]" 1
217 3 26 THR HA 3 34 ILE H 3.000 . 3.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
218 3 26 THR H 3 40 LEU QD 3.000 . 4.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
219 3 26 THR HA 3 31 TYR HA 4.000 . 5.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
220 3 26 THR HA 3 33 VAL HA 2.500 . 2.700 2.392 2.392 2.392 . 0 0 "[ ]" 1
221 3 26 THR HA 3 33 VAL HB 4.000 . 6.000 5.427 5.427 5.427 . 0 0 "[ ]" 1
222 3 26 THR HA 3 33 VAL MG1 4.000 . 5.500 3.754 3.754 3.754 . 0 0 "[ ]" 1
223 3 26 THR HA 3 33 VAL MG2 4.000 . 5.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
224 3 26 THR HA 3 40 LEU QD 4.000 . 6.500 3.667 3.667 3.667 . 0 0 "[ ]" 1
225 3 26 THR HB 3 31 TYR HA 4.000 . 5.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
226 3 26 THR HB 3 31 TYR QD 4.000 . 5.000 4.883 4.883 4.883 . 0 0 "[ ]" 1
227 3 26 THR HB 3 33 VAL HA 4.000 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1
228 3 26 THR HB 3 33 VAL MG2 4.000 . 5.500 5.219 5.219 5.219 . 0 0 "[ ]" 1
229 3 26 THR HB 3 40 LEU QD 4.000 . 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
230 3 26 THR MG 3 31 TYR HA 2.500 . 3.200 2.297 2.297 2.297 . 0 0 "[ ]" 1
231 3 26 THR MG 3 31 TYR QD 2.500 . 3.200 2.590 2.590 2.590 . 0 0 "[ ]" 1
232 3 26 THR MG 3 31 TYR QE 4.000 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
233 3 26 THR MG 3 31 TYR QB 2.500 . 3.200 3.241 3.241 3.241 0.041 1 0 "[ ]" 1
234 3 26 THR MG 3 33 VAL HA 4.000 . 5.500 3.078 3.078 3.078 . 0 0 "[ ]" 1
235 3 26 THR MG 3 28 PRO HA 3.000 . 3.800 3.850 3.850 3.850 0.050 1 0 "[ ]" 1
236 3 27 CYS H 3 27 CYS HA 2.500 . 2.900 2.956 2.956 2.956 0.056 1 0 "[ ]" 1
237 3 27 CYS H 3 27 CYS QB 2.500 . 2.900 2.201 2.201 2.201 . 0 0 "[ ]" 1
238 3 27 CYS HA 3 27 CYS QB 2.500 . 2.700 2.268 2.268 2.268 . 0 0 "[ ]" 1
239 3 27 CYS H 3 29 ILE H 4.000 . 6.000 4.992 4.992 4.992 . 0 0 "[ ]" 1
240 3 27 CYS H 3 30 CYS H 4.000 . 6.000 5.263 5.263 5.263 . 0 0 "[ ]" 1
241 3 27 CYS H 3 31 TYR H 4.000 . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
242 3 27 CYS H 3 31 TYR QB 4.000 . 5.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
243 3 27 CYS H 3 31 TYR QD 4.000 . 5.000 4.945 4.945 4.945 . 0 0 "[ ]" 1
244 3 27 CYS H 3 32 ALA H 3.000 . 3.700 3.364 3.364 3.364 . 0 0 "[ ]" 1
245 3 27 CYS H 3 32 ALA MB 3.000 . 4.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
246 3 27 CYS H 3 32 ALA HA 4.000 . 5.000 4.586 4.586 4.586 . 0 0 "[ ]" 1
247 3 27 CYS H 3 33 VAL H 4.000 . 6.000 4.913 4.913 4.913 . 0 0 "[ ]" 1
248 3 27 CYS H 3 33 VAL HA 4.000 . 5.000 3.684 3.684 3.684 . 0 0 "[ ]" 1
249 3 27 CYS H 3 33 VAL MG2 4.000 . 5.500 4.523 4.523 4.523 . 0 0 "[ ]" 1
250 3 27 CYS H 3 34 ILE H 4.000 . 6.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
251 3 27 CYS H 3 34 ILE MD 4.000 . 5.500 5.271 5.271 5.271 . 0 0 "[ ]" 1
252 3 27 CYS H 3 34 ILE QG 4.000 . 5.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
253 3 27 CYS H 3 40 LEU MD1 3.000 . 4.000 3.632 3.632 3.632 . 0 0 "[ ]" 1
254 3 27 CYS QB 3 29 ILE H 4.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
255 3 27 CYS QB 3 30 CYS H 4.000 . 5.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
256 3 27 CYS QB 3 31 TYR H 4.000 . 5.000 3.377 3.377 3.377 . 0 0 "[ ]" 1
257 3 27 CYS QB 3 32 ALA H 3.000 . 3.500 1.902 1.902 1.902 . 0 0 "[ ]" 1
258 3 27 CYS HA 3 28 PRO QD 2.500 . 2.700 2.079 2.079 2.079 . 0 0 "[ ]" 1
259 3 27 CYS HA 3 32 ALA MB 4.000 . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
260 3 27 CYS HA 3 40 LEU QD 2.500 . 3.200 2.221 2.221 2.221 . 0 0 "[ ]" 1
261 3 27 CYS HA 3 43 HIS HD2 4.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
262 3 27 CYS HA 3 44 LEU MD2 3.000 . 3.800 3.894 3.894 3.894 0.094 1 0 "[ ]" 1
263 3 27 CYS QB 3 28 PRO QD 4.000 . 6.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
264 3 27 CYS QB 3 32 ALA MB 2.500 . 3.200 2.189 2.189 2.189 . 0 0 "[ ]" 1
265 3 27 CYS QB 3 34 ILE MD 4.000 . 5.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
266 3 27 CYS QB 3 40 LEU QD 3.000 . 4.300 2.647 2.647 2.647 . 0 0 "[ ]" 1
267 3 27 CYS QB 3 43 HIS HD2 4.000 . 5.000 2.843 2.843 2.843 . 0 0 "[ ]" 1
268 3 27 CYS QB 3 44 LEU MD2 4.000 . 5.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
269 3 28 PRO HA 3 28 PRO HB3 2.500 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
270 3 28 PRO HA 3 29 ILE H 3.000 . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
271 3 28 PRO HB3 3 29 ILE H 4.000 . 6.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
272 3 28 PRO HB2 3 29 ILE H 4.000 . 5.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
273 3 28 PRO QG 3 29 ILE H 4.000 . 5.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
274 3 28 PRO QD 3 29 ILE H 3.000 . 3.300 2.965 2.965 2.965 . 0 0 "[ ]" 1
275 3 28 PRO HA 3 29 ILE MG 4.000 . 6.500 6.029 6.029 6.029 . 0 0 "[ ]" 1
276 3 28 PRO HA 3 31 TYR QD 4.000 . 5.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
277 3 28 PRO HA 3 31 TYR QE 4.000 . 6.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
278 3 28 PRO QG 3 40 LEU QD 4.000 . 6.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
279 3 28 PRO QG 3 44 LEU MD2 4.000 . 6.500 3.921 3.921 3.921 . 0 0 "[ ]" 1
280 3 29 ILE H 3 29 ILE HA 2.500 . 2.900 2.987 2.987 2.987 0.087 1 0 "[ ]" 1
281 3 29 ILE H 3 29 ILE HB 2.500 . 2.900 2.640 2.640 2.640 . 0 0 "[ ]" 1
282 3 29 ILE H 3 29 ILE QG 3.000 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
283 3 29 ILE H 3 29 ILE MG 4.000 . 5.500 3.867 3.867 3.867 . 0 0 "[ ]" 1
284 3 29 ILE H 3 29 ILE MD 3.000 . 4.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
285 3 29 ILE HA 3 29 ILE HB 3.000 . 3.300 3.028 3.028 3.028 . 0 0 "[ ]" 1
286 3 29 ILE HA 3 29 ILE QG 2.500 . 2.700 2.469 2.469 2.469 . 0 0 "[ ]" 1
287 3 29 ILE HA 3 29 ILE MG 2.500 . 3.200 2.364 2.364 2.364 . 0 0 "[ ]" 1
288 3 29 ILE HA 3 29 ILE MD 3.000 . 3.800 3.865 3.865 3.865 0.065 1 0 "[ ]" 1
289 3 29 ILE H 3 30 CYS H 2.500 . 3.100 2.392 2.392 2.392 . 0 0 "[ ]" 1
290 3 29 ILE HA 3 30 CYS H 3.000 . 3.500 3.589 3.589 3.589 0.089 1 0 "[ ]" 1
291 3 29 ILE HB 3 30 CYS H 3.000 . 3.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
292 3 29 ILE QG 3 30 CYS H 4.000 . 5.500 3.773 3.773 3.773 . 0 0 "[ ]" 1
293 3 29 ILE MG 3 30 CYS H 4.000 . 6.500 3.379 3.379 3.379 . 0 0 "[ ]" 1
294 3 29 ILE MD 3 30 CYS H 4.000 . 5.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
295 3 29 ILE H 3 31 TYR H 3.000 . 3.700 3.090 3.090 3.090 . 0 0 "[ ]" 1
296 3 29 ILE H 3 32 ALA H 4.000 . 6.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
297 3 29 ILE H 3 48 HIS HE1 4.000 . 6.000 5.539 5.539 5.539 . 0 0 "[ ]" 1
298 3 29 ILE HA 3 31 TYR QE 4.000 . 6.000 5.734 5.734 5.734 . 0 0 "[ ]" 1
299 3 29 ILE HB 3 31 TYR H 4.000 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
300 3 29 ILE QG 3 31 TYR H 4.000 . 6.000 5.047 5.047 5.047 . 0 0 "[ ]" 1
301 3 29 ILE MD 3 31 TYR H 4.000 . 6.500 5.957 5.957 5.957 . 0 0 "[ ]" 1
302 3 29 ILE HB 3 48 HIS HD2 4.000 . 6.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
303 3 29 ILE MG 3 30 CYS QB 4.000 . 5.500 3.332 3.332 3.332 . 0 0 "[ ]" 1
304 3 29 ILE MG 3 30 CYS HA 4.000 . 5.500 3.931 3.931 3.931 . 0 0 "[ ]" 1
305 3 29 ILE MG 3 48 HIS HA 4.000 . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
306 3 29 ILE MG 3 48 HIS QB 3.000 . 3.800 3.554 3.554 3.554 . 0 0 "[ ]" 1
307 3 29 ILE MG 3 48 HIS HD2 4.000 . 5.500 4.305 4.305 4.305 . 0 0 "[ ]" 1
308 3 29 ILE MG 3 48 HIS HE1 2.500 . 3.200 2.649 2.649 2.649 . 0 0 "[ ]" 1
309 3 29 ILE MD 3 44 LEU HA 4.000 . 6.500 3.805 3.805 3.805 . 0 0 "[ ]" 1
310 3 29 ILE MD 3 44 LEU MD2 3.000 . 4.300 2.308 2.308 2.308 . 0 0 "[ ]" 1
311 3 29 ILE MD 3 48 HIS HA 4.000 . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
312 3 29 ILE MD 3 48 HIS QB 2.500 . 3.200 2.511 2.511 2.511 . 0 0 "[ ]" 1
313 3 29 ILE MD 3 48 HIS HD2 3.000 . 3.800 2.867 2.867 2.867 . 0 0 "[ ]" 1
314 3 29 ILE MD 3 48 HIS HE1 4.000 . 5.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
315 3 29 ILE MD 3 49 PHE QB 4.000 . 6.500 5.574 5.574 5.574 . 0 0 "[ ]" 1
316 3 29 ILE MD 3 49 PHE QD 4.000 . 6.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
317 3 29 ILE MD 3 49 PHE QE 4.000 . 6.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
318 3 29 ILE MD 3 49 PHE HZ 4.000 . 6.500 4.432 4.432 4.432 . 0 0 "[ ]" 1
319 3 29 ILE MD 3 50 ALA MB 4.000 . 7.000 6.850 6.850 6.850 . 0 0 "[ ]" 1
320 3 30 CYS H 3 30 CYS HA 3.000 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
321 3 30 CYS H 3 30 CYS QB 3.000 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
322 3 30 CYS HA 3 30 CYS QB 2.500 . 2.700 2.179 2.179 2.179 . 0 0 "[ ]" 1
323 3 30 CYS H 3 31 TYR H 2.500 . 3.100 2.385 2.385 2.385 . 0 0 "[ ]" 1
324 3 30 CYS HA 3 31 TYR H 3.000 . 3.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
325 3 30 CYS QB 3 31 TYR H 4.000 . 6.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
326 3 30 CYS HA 3 32 ALA H 4.000 . 6.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
327 3 30 CYS QB 3 32 ALA H 4.000 . 6.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
328 3 30 CYS H 3 48 HIS HE1 4.000 . 6.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
329 3 30 CYS HA 3 48 HIS HE1 4.000 . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
330 3 30 CYS QB 3 48 HIS HE1 2.500 . 2.700 2.254 2.254 2.254 . 0 0 "[ ]" 1
331 3 31 TYR H 3 31 TYR HA 2.500 . 2.900 2.338 2.338 2.338 . 0 0 "[ ]" 1
332 3 31 TYR H 3 31 TYR QB 3.000 . 3.500 3.262 3.262 3.262 . 0 0 "[ ]" 1
333 3 31 TYR H 3 31 TYR QD 4.000 . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
334 3 31 TYR HA 3 31 TYR QB 2.500 . 2.700 2.386 2.386 2.386 . 0 0 "[ ]" 1
335 3 31 TYR HA 3 31 TYR QD 2.500 . 2.700 2.426 2.426 2.426 . 0 0 "[ ]" 1
336 3 31 TYR HA 3 31 TYR QE 4.000 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
337 3 31 TYR QB 3 31 TYR QD 2.500 . 2.700 2.162 2.162 2.162 . 0 0 "[ ]" 1
338 3 31 TYR QB 3 31 TYR QE 4.000 . 6.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
339 3 31 TYR H 3 32 ALA H 3.000 . 3.700 2.925 2.925 2.925 . 0 0 "[ ]" 1
340 3 31 TYR HA 3 32 ALA H 3.000 . 3.500 3.148 3.148 3.148 . 0 0 "[ ]" 1
341 3 31 TYR QB 3 32 ALA H 4.000 . 5.000 3.680 3.680 3.680 . 0 0 "[ ]" 1
342 3 31 TYR QD 3 32 ALA H 4.000 . 6.000 4.892 4.892 4.892 . 0 0 "[ ]" 1
343 3 31 TYR H 3 48 HIS HE1 4.000 . 6.000 5.995 5.995 5.995 . 0 0 "[ ]" 1
344 3 31 TYR QB 3 33 VAL H 4.000 . 6.000 5.348 5.348 5.348 . 0 0 "[ ]" 1
345 3 32 ALA H 3 32 ALA HA 2.500 . 2.900 2.845 2.845 2.845 . 0 0 "[ ]" 1
346 3 32 ALA H 3 32 ALA MB 2.500 . 3.400 2.081 2.081 2.081 . 0 0 "[ ]" 1
347 3 32 ALA H 3 33 VAL H 4.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
348 3 32 ALA HA 3 33 VAL H 2.500 . 2.900 2.259 2.259 2.259 . 0 0 "[ ]" 1
349 3 32 ALA MB 3 33 VAL H 2.500 . 3.400 3.115 3.115 3.115 . 0 0 "[ ]" 1
350 3 32 ALA H 3 40 LEU QD 4.000 . 5.500 5.283 5.283 5.283 . 0 0 "[ ]" 1
351 3 32 ALA HA 3 33 VAL MG2 4.000 . 5.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
352 3 32 ALA HA 3 33 VAL MG1 4.000 . 6.500 5.517 5.517 5.517 . 0 0 "[ ]" 1
353 3 32 ALA MB 3 34 ILE MD 2.500 . 3.700 2.597 2.597 2.597 . 0 0 "[ ]" 1
354 3 32 ALA MB 3 43 HIS HD2 4.000 . 5.500 3.993 3.993 3.993 . 0 0 "[ ]" 1
355 3 32 ALA MB 3 43 HIS HE1 3.000 . 3.300 2.272 2.272 2.272 . 0 0 "[ ]" 1
356 3 32 ALA MB 3 48 HIS HE1 4.000 . 6.500 5.434 5.434 5.434 . 0 0 "[ ]" 1
357 3 33 VAL H 3 33 VAL HB 3.000 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 1
358 3 33 VAL H 3 33 VAL MG1 4.000 . 5.500 3.816 3.816 3.816 . 0 0 "[ ]" 1
359 3 33 VAL H 3 33 VAL MG2 3.000 . 3.800 2.323 2.323 2.323 . 0 0 "[ ]" 1
360 3 33 VAL HA 3 33 VAL HB 3.000 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
361 3 33 VAL HA 3 33 VAL MG2 3.000 . 3.800 2.420 2.420 2.420 . 0 0 "[ ]" 1
362 3 33 VAL H 3 34 ILE H 4.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
363 3 33 VAL HA 3 34 ILE H 2.500 . 2.900 2.210 2.210 2.210 . 0 0 "[ ]" 1
364 3 33 VAL HB 3 34 ILE H 4.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
365 3 33 VAL MG1 3 34 ILE H 3.000 . 3.800 3.215 3.215 3.215 . 0 0 "[ ]" 1
366 3 33 VAL MG2 3 34 ILE H 4.000 . 5.500 4.238 4.238 4.238 . 0 0 "[ ]" 1
367 3 33 VAL QG 3 34 ILE H 2.500 . 3.400 3.123 3.123 3.123 . 0 0 "[ ]" 1
368 3 33 VAL MG1 3 34 ILE HA 4.000 . 5.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
369 3 33 VAL MG1 3 35 ARG HA 4.000 . 5.500 4.076 4.076 4.076 . 0 0 "[ ]" 1
370 3 33 VAL MG1 3 35 ARG QB 4.000 . 6.500 5.088 5.088 5.088 . 0 0 "[ ]" 1
371 3 33 VAL MG1 3 35 ARG QG 4.000 . 5.500 3.527 3.527 3.527 . 0 0 "[ ]" 1
372 3 33 VAL MG1 3 35 ARG QD 4.000 . 5.500 5.214 5.214 5.214 . 0 0 "[ ]" 1
373 3 34 ILE H 3 34 ILE HB 2.500 . 2.900 2.591 2.591 2.591 . 0 0 "[ ]" 1
374 3 34 ILE H 3 34 ILE MG 4.000 . 5.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
375 3 34 ILE H 3 34 ILE QG 4.000 . 5.000 2.355 2.355 2.355 . 0 0 "[ ]" 1
376 3 34 ILE H 3 34 ILE MD 4.000 . 5.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
377 3 34 ILE HA 3 34 ILE HB 3.000 . 3.300 3.032 3.032 3.032 . 0 0 "[ ]" 1
378 3 34 ILE HA 3 34 ILE MG 2.500 . 3.200 2.257 2.257 2.257 . 0 0 "[ ]" 1
379 3 34 ILE HA 3 34 ILE MD 3.000 . 3.800 2.167 2.167 2.167 . 0 0 "[ ]" 1
380 3 34 ILE H 3 35 ARG H 4.000 . 6.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
381 3 34 ILE HA 3 35 ARG H 3.000 . 3.500 2.198 2.198 2.198 . 0 0 "[ ]" 1
382 3 34 ILE QG 3 35 ARG H 4.000 . 6.000 4.787 4.787 4.787 . 0 0 "[ ]" 1
383 3 34 ILE MG 3 35 ARG H 4.000 . 6.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
384 3 34 ILE MD 3 35 ARG H 4.000 . 6.500 3.798 3.798 3.798 . 0 0 "[ ]" 1
385 3 34 ILE MG 3 36 GLN H 3.000 . 4.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
386 3 34 ILE HA 3 36 GLN H 4.000 . 6.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
387 3 34 ILE MG 3 39 ASN H 3.000 . 4.000 3.633 3.633 3.633 . 0 0 "[ ]" 1
388 3 34 ILE QG 3 40 LEU HA 4.000 . 6.000 2.299 2.299 2.299 . 0 0 "[ ]" 1
389 3 34 ILE MG 3 39 ASN HA 4.000 . 5.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
390 3 34 ILE MG 3 39 ASN QB 3.000 . 3.800 1.987 1.987 1.987 . 0 0 "[ ]" 1
391 3 34 ILE MG 3 40 LEU HA 2.500 . 3.200 2.361 2.361 2.361 . 0 0 "[ ]" 1
392 3 34 ILE MG 3 43 HIS QB 3.000 . 3.800 3.280 3.280 3.280 . 0 0 "[ ]" 1
393 3 34 ILE MD 3 40 LEU HA 3.000 . 3.800 3.793 3.793 3.793 . 0 0 "[ ]" 1
394 3 34 ILE MD 3 40 LEU QD 3.000 . 4.300 3.699 3.699 3.699 . 0 0 "[ ]" 1
395 3 34 ILE MD 3 43 HIS QB 2.500 . 3.200 2.467 2.467 2.467 . 0 0 "[ ]" 1
396 3 34 ILE MD 3 43 HIS HD2 4.000 . 6.500 4.885 4.885 4.885 . 0 0 "[ ]" 1
397 3 34 ILE MD 3 43 HIS HE1 4.000 . 5.500 4.217 4.217 4.217 . 0 0 "[ ]" 1
398 3 35 ARG H 3 35 ARG QB 2.500 . 2.900 2.551 2.551 2.551 . 0 0 "[ ]" 1
399 3 35 ARG HA 3 35 ARG QB 2.500 . 2.700 2.334 2.334 2.334 . 0 0 "[ ]" 1
400 3 35 ARG HA 3 35 ARG QG 3.000 . 3.300 2.402 2.402 2.402 . 0 0 "[ ]" 1
401 3 35 ARG HA 3 35 ARG QD 4.000 . 5.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
402 3 35 ARG H 3 36 GLN H 4.000 . 6.000 3.032 3.032 3.032 . 0 0 "[ ]" 1
403 3 35 ARG HA 3 36 GLN H 4.000 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
404 3 35 ARG QB 3 35 ARG HE 2.500 . 2.900 2.507 2.507 2.507 . 0 0 "[ ]" 1
405 3 36 GLN H 3 36 GLN QB 3.000 . 3.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
406 3 36 GLN H 3 36 GLN QG 4.000 . 5.000 2.010 2.010 2.010 . 0 0 "[ ]" 1
407 3 36 GLN HA 3 36 GLN QG 2.500 . 2.700 2.425 2.425 2.425 . 0 0 "[ ]" 1
408 3 36 GLN HA 3 37 SER H 2.500 . 2.900 2.200 2.200 2.200 . 0 0 "[ ]" 1
409 3 36 GLN QB 3 37 SER H 4.000 . 5.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
410 3 36 GLN QG 3 37 SER H 4.000 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
411 3 36 GLN H 3 39 ASN H 4.000 . 6.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
412 3 36 GLN HA 3 39 ASN H 4.000 . 5.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
413 3 36 GLN QG 3 39 ASN H 4.000 . 6.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
414 3 36 GLN H 3 39 ASN QB 4.000 . 6.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
415 3 37 SER H 3 37 SER HA 2.500 . 2.900 2.866 2.866 2.866 . 0 0 "[ ]" 1
416 3 37 SER H 3 37 SER QB 2.500 . 2.900 2.541 2.541 2.541 . 0 0 "[ ]" 1
417 3 37 SER HA 3 37 SER QB 2.500 . 2.700 2.198 2.198 2.198 . 0 0 "[ ]" 1
418 3 37 SER H 3 38 ARG H 4.000 . 5.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
419 3 37 SER HA 3 38 ARG H 4.000 . 6.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
420 3 37 SER QB 3 38 ARG H 4.000 . 6.000 3.434 3.434 3.434 . 0 0 "[ ]" 1
421 3 37 SER H 3 39 ASN H 4.000 . 6.000 4.226 4.226 4.226 . 0 0 "[ ]" 1
422 3 37 SER HA 3 39 ASN H 4.000 . 6.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
423 3 37 SER QB 3 39 ASN H 4.000 . 6.000 5.050 5.050 5.050 . 0 0 "[ ]" 1
424 3 37 SER H 3 40 LEU H 4.000 . 6.000 4.796 4.796 4.796 . 0 0 "[ ]" 1
425 3 37 SER HA 3 40 LEU H 4.000 . 5.000 3.098 3.098 3.098 . 0 0 "[ ]" 1
426 3 37 SER QB 3 40 LEU H 4.000 . 6.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
427 3 37 SER HA 3 40 LEU QB 3.000 . 3.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
428 3 37 SER HA 3 40 LEU HG 4.000 . 6.000 5.264 5.264 5.264 . 0 0 "[ ]" 1
429 3 38 ARG H 3 38 ARG QB 2.500 . 2.900 2.411 2.411 2.411 . 0 0 "[ ]" 1
430 3 38 ARG H 3 38 ARG QG 4.000 . 5.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
431 3 38 ARG H 3 39 ASN H 3.000 . 3.700 2.719 2.719 2.719 . 0 0 "[ ]" 1
432 3 38 ARG HA 3 39 ASN H 4.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
433 3 38 ARG QB 3 39 ASN H 4.000 . 5.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
434 3 38 ARG QG 3 39 ASN H 4.000 . 5.000 1.924 1.924 1.924 . 0 0 "[ ]" 1
435 3 38 ARG HA 3 40 LEU H 4.000 . 6.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
436 3 38 ARG HA 3 41 ARG QB 4.000 . 6.000 3.189 3.189 3.189 . 0 0 "[ ]" 1
437 3 39 ASN H 3 39 ASN QB 2.500 . 2.900 2.327 2.327 2.327 . 0 0 "[ ]" 1
438 3 39 ASN HA 3 39 ASN QB 2.500 . 2.700 2.429 2.429 2.429 . 0 0 "[ ]" 1
439 3 39 ASN H 3 40 LEU H 3.000 . 3.700 2.591 2.591 2.591 . 0 0 "[ ]" 1
440 3 39 ASN HA 3 40 LEU H 4.000 . 6.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
441 3 39 ASN HA 3 42 ARG H 4.000 . 5.000 3.127 3.127 3.127 . 0 0 "[ ]" 1
442 3 39 ASN HA 3 42 ARG QB 4.000 . 5.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
443 3 40 LEU H 3 40 LEU HA 3.000 . 3.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
444 3 40 LEU H 3 40 LEU QB 2.500 . 2.900 2.303 2.303 2.303 . 0 0 "[ ]" 1
445 3 40 LEU H 3 40 LEU HG 4.000 . 6.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
446 3 40 LEU H 3 40 LEU QD 3.000 . 4.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
447 3 40 LEU HA 3 40 LEU QB 2.500 . 2.700 2.374 2.374 2.374 . 0 0 "[ ]" 1
448 3 40 LEU HA 3 40 LEU HG 4.000 . 5.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
449 3 40 LEU HA 3 40 LEU QD 2.500 . 3.200 2.129 2.129 2.129 . 0 0 "[ ]" 1
450 3 40 LEU H 3 43 HIS H 4.000 . 6.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
451 3 40 LEU H 3 41 ARG H 4.000 . 6.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
452 3 40 LEU HA 3 41 ARG H 4.000 . 6.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
453 3 40 LEU QB 3 41 ARG H 4.000 . 5.000 2.430 2.430 2.430 . 0 0 "[ ]" 1
454 3 40 LEU QD 3 41 ARG H 4.000 . 5.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
455 3 40 LEU QD 3 42 ARG H 4.000 . 5.000 5.236 5.236 5.236 0.236 1 0 "[ ]" 1
456 3 40 LEU QB 3 43 HIS H 4.000 . 5.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
457 3 40 LEU QD 3 43 HIS H 4.000 . 6.000 4.220 4.220 4.220 . 0 0 "[ ]" 1
458 3 40 LEU HA 3 43 HIS QB 2.500 . 2.700 2.501 2.501 2.501 . 0 0 "[ ]" 1
459 3 40 LEU QD 3 43 HIS HA 4.000 . 6.000 5.281 5.281 5.281 . 0 0 "[ ]" 1
460 3 40 LEU QD 3 43 HIS QB 3.000 . 3.800 2.644 2.644 2.644 . 0 0 "[ ]" 1
461 3 40 LEU QD 3 43 HIS HD2 3.000 . 3.800 3.193 3.193 3.193 . 0 0 "[ ]" 1
462 3 40 LEU HA 3 43 HIS HD2 4.000 . 5.000 4.819 4.819 4.819 . 0 0 "[ ]" 1
463 3 40 LEU QD 3 44 LEU HG 4.000 . 6.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
464 3 41 ARG H 3 41 ARG QB 2.500 . 2.900 2.056 2.056 2.056 . 0 0 "[ ]" 1
465 3 41 ARG H 3 41 ARG QG 4.000 . 5.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
466 3 41 ARG H 3 41 ARG QD 4.000 . 5.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
467 3 41 ARG HA 3 41 ARG QB 2.500 . 2.700 2.555 2.555 2.555 . 0 0 "[ ]" 1
468 3 41 ARG HA 3 41 ARG QD 4.000 . 6.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
469 3 41 ARG H 3 42 ARG H 3.000 . 3.700 2.770 2.770 2.770 . 0 0 "[ ]" 1
470 3 41 ARG HA 3 42 ARG H 4.000 . 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
471 3 41 ARG H 3 43 HIS H 4.000 . 6.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
472 3 41 ARG HA 3 43 HIS H 4.000 . 6.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
473 3 41 ARG HA 3 44 LEU H 4.000 . 6.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
474 3 42 ARG H 3 42 ARG HA 2.500 . 2.900 2.840 2.840 2.840 . 0 0 "[ ]" 1
475 3 42 ARG H 3 42 ARG QB 2.500 . 2.900 2.220 2.220 2.220 . 0 0 "[ ]" 1
476 3 42 ARG H 3 44 LEU H 4.000 . 6.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
477 3 42 ARG H 3 42 ARG QG 4.000 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
478 3 42 ARG H 3 42 ARG QD 4.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
479 3 42 ARG HA 3 42 ARG QB 2.500 . 2.700 2.421 2.421 2.421 . 0 0 "[ ]" 1
480 3 42 ARG HA 3 42 ARG QD 4.000 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
481 3 42 ARG H 3 43 HIS H 3.000 . 3.700 2.703 2.703 2.703 . 0 0 "[ ]" 1
482 3 42 ARG HA 3 43 HIS H 3.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
483 3 42 ARG QB 3 43 HIS H 4.000 . 5.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
484 3 42 ARG QG 3 43 HIS H 4.000 . 6.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
485 3 42 ARG HA 3 44 LEU H 4.000 . 6.000 4.102 4.102 4.102 . 0 0 "[ ]" 1
486 3 42 ARG HA 3 45 GLU H 4.000 . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
487 3 42 ARG HA 3 45 GLU QB 3.000 . 3.300 3.146 3.146 3.146 . 0 0 "[ ]" 1
488 3 42 ARG QG 3 46 LEU QD 4.000 . 5.500 2.161 2.161 2.161 . 0 0 "[ ]" 1
489 3 42 ARG QD 3 46 LEU QD 3.000 . 4.300 2.775 2.775 2.775 . 0 0 "[ ]" 1
490 3 43 HIS H 3 43 HIS QB 2.500 . 2.900 2.227 2.227 2.227 . 0 0 "[ ]" 1
491 3 43 HIS HA 3 43 HIS QB 2.500 . 2.700 2.303 2.303 2.303 . 0 0 "[ ]" 1
492 3 43 HIS HA 3 43 HIS HD2 4.000 . 6.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
493 3 43 HIS HA 3 45 GLU H 4.000 . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
494 3 43 HIS H 3 44 LEU H 3.000 . 3.700 2.592 2.592 2.592 . 0 0 "[ ]" 1
495 3 43 HIS HA 3 44 LEU H 4.000 . 6.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
496 3 43 HIS QB 3 44 LEU H 4.000 . 5.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
497 3 43 HIS HA 3 46 LEU H 4.000 . 5.000 3.332 3.332 3.332 . 0 0 "[ ]" 1
498 3 43 HIS HA 3 47 ARG H 4.000 . 5.000 3.535 3.535 3.535 . 0 0 "[ ]" 1
499 3 43 HIS HA 3 47 ARG QG 4.000 . 6.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
500 3 43 HIS HD2 3 44 LEU HA 4.000 . 5.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
501 3 43 HIS HD2 3 44 LEU QD 2.500 . 3.200 2.290 2.290 2.290 . 0 0 "[ ]" 1
502 3 43 HIS HD2 3 48 HIS HD2 4.000 . 5.000 2.702 2.702 2.702 . 0 0 "[ ]" 1
503 3 43 HIS HE1 3 47 ARG QB 4.000 . 5.000 3.044 3.044 3.044 . 0 0 "[ ]" 1
504 3 43 HIS HE1 3 47 ARG QG 3.000 . 3.300 2.344 2.344 2.344 . 0 0 "[ ]" 1
505 3 43 HIS HE1 3 47 ARG QD 4.000 . 5.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
506 3 43 HIS HB2 3 43 HIS HD1 3.000 . 3.300 2.585 2.585 2.585 . 0 0 "[ ]" 1
507 3 43 HIS HA 3 43 HIS HD1 3.000 . 3.300 3.241 3.241 3.241 . 0 0 "[ ]" 1
508 3 32 ALA MB 3 43 HIS HD1 3.000 . 3.800 3.247 3.247 3.247 . 0 0 "[ ]" 1
509 3 34 ILE HG13 3 43 HIS HD1 4.000 . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
510 3 34 ILE HG12 3 43 HIS HD1 4.000 . 5.000 4.759 4.759 4.759 . 0 0 "[ ]" 1
511 3 34 ILE MD 3 43 HIS HD1 3.000 . 3.800 2.718 2.718 2.718 . 0 0 "[ ]" 1
512 3 43 HIS HD1 3 47 ARG QB 4.000 . 5.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
513 3 43 HIS HD1 3 47 ARG QG 3.000 . 3.300 2.630 2.630 2.630 . 0 0 "[ ]" 1
514 3 43 HIS HD1 3 47 ARG QD 4.000 . 5.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
515 3 44 LEU H 3 44 LEU HA 3.000 . 3.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
516 3 44 LEU H 3 44 LEU QB 2.500 . 2.900 2.502 2.502 2.502 . 0 0 "[ ]" 1
517 3 44 LEU H 3 44 LEU HG 2.500 . 2.900 2.131 2.131 2.131 . 0 0 "[ ]" 1
518 3 44 LEU H 3 44 LEU QD 3.000 . 4.000 3.035 3.035 3.035 . 0 0 "[ ]" 1
519 3 44 LEU HA 3 44 LEU QB 2.500 . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1
520 3 44 LEU HA 3 44 LEU HG 4.000 . 5.000 3.050 3.050 3.050 . 0 0 "[ ]" 1
521 3 44 LEU HA 3 44 LEU QD 2.500 . 2.700 2.135 2.135 2.135 . 0 0 "[ ]" 1
522 3 44 LEU H 3 45 GLU H 3.000 . 3.700 2.683 2.683 2.683 . 0 0 "[ ]" 1
523 3 44 LEU HA 3 45 GLU H 4.000 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
524 3 44 LEU QB 3 45 GLU H 3.000 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
525 3 44 LEU QD 3 45 GLU H 4.000 . 6.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
526 3 44 LEU H 3 46 LEU H 4.000 . 6.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
527 3 44 LEU H 3 48 HIS HD2 4.000 . 5.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
528 3 44 LEU HA 3 46 LEU H 4.000 . 5.000 4.100 4.100 4.100 . 0 0 "[ ]" 1
529 3 44 LEU QD 3 48 HIS H 4.000 . 6.500 5.160 5.160 5.160 . 0 0 "[ ]" 1
530 3 44 LEU QD 3 49 PHE H 4.000 . 6.500 4.327 4.327 4.327 . 0 0 "[ ]" 1
531 3 44 LEU HA 3 48 HIS QB 4.000 . 5.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
532 3 44 LEU HA 3 48 HIS HD2 3.000 . 3.300 2.265 2.265 2.265 . 0 0 "[ ]" 1
533 3 44 LEU QB 3 48 HIS HD2 4.000 . 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
534 3 44 LEU HG 3 46 LEU H 4.000 . 6.000 5.796 5.796 5.796 . 0 0 "[ ]" 1
535 3 44 LEU QD 3 48 HIS QB 3.000 . 3.800 3.268 3.268 3.268 . 0 0 "[ ]" 1
536 3 44 LEU QD 3 48 HIS HD2 2.500 . 3.200 2.531 2.531 2.531 . 0 0 "[ ]" 1
537 3 44 LEU QD 3 49 PHE HZ 4.000 . 6.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
538 3 44 LEU QD 3 49 PHE QE 4.000 . 6.500 3.074 3.074 3.074 . 0 0 "[ ]" 1
539 3 45 GLU H 3 45 GLU HA 2.500 . 2.900 2.895 2.895 2.895 . 0 0 "[ ]" 1
540 3 45 GLU H 3 45 GLU QB 2.500 . 2.900 2.490 2.490 2.490 . 0 0 "[ ]" 1
541 3 45 GLU H 3 45 GLU QG 3.000 . 3.500 2.263 2.263 2.263 . 0 0 "[ ]" 1
542 3 45 GLU HA 3 45 GLU QG 3.000 . 3.300 2.338 2.338 2.338 . 0 0 "[ ]" 1
543 3 45 GLU H 3 46 LEU H 4.000 . 5.000 2.659 2.659 2.659 . 0 0 "[ ]" 1
544 3 45 GLU HA 3 46 LEU H 4.000 . 5.000 3.463 3.463 3.463 . 0 0 "[ ]" 1
545 3 45 GLU QB 3 46 LEU H 4.000 . 5.000 3.131 3.131 3.131 . 0 0 "[ ]" 1
546 3 45 GLU HA 3 47 ARG H 4.000 . 6.000 4.881 4.881 4.881 . 0 0 "[ ]" 1
547 3 45 GLU HA 3 49 PHE H 3.000 . 3.500 3.184 3.184 3.184 . 0 0 "[ ]" 1
548 3 45 GLU HA 3 50 ALA H 3.000 . 3.500 3.593 3.593 3.593 0.093 1 0 "[ ]" 1
549 3 45 GLU QB 3 50 ALA H 4.000 . 6.000 5.066 5.066 5.066 . 0 0 "[ ]" 1
550 3 45 GLU HA 3 49 PHE HA 4.000 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
551 3 45 GLU HA 3 49 PHE QB 4.000 . 5.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
552 3 45 GLU HA 3 49 PHE QD 4.000 . 5.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
553 3 45 GLU QG 3 49 PHE QD 4.000 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
554 3 45 GLU HA 3 50 ALA MB 3.000 . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 1
555 3 45 GLU H 3 47 ARG H 4.000 . 5.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
556 3 46 LEU H 3 46 LEU HA 2.500 . 2.900 2.980 2.980 2.980 0.080 1 0 "[ ]" 1
557 3 46 LEU H 3 46 LEU QB 2.500 . 2.900 2.429 2.429 2.429 . 0 0 "[ ]" 1
558 3 46 LEU H 3 46 LEU HG 4.000 . 5.000 2.727 2.727 2.727 . 0 0 "[ ]" 1
559 3 46 LEU H 3 46 LEU QD 2.500 . 3.400 3.360 3.360 3.360 . 0 0 "[ ]" 1
560 3 46 LEU HA 3 46 LEU QB 2.500 . 2.700 2.395 2.395 2.395 . 0 0 "[ ]" 1
561 3 46 LEU HA 3 46 LEU HG 4.000 . 5.000 3.038 3.038 3.038 . 0 0 "[ ]" 1
562 3 46 LEU HA 3 46 LEU QD 2.500 . 3.200 2.078 2.078 2.078 . 0 0 "[ ]" 1
563 3 46 LEU H 3 47 ARG H 3.000 . 3.700 2.324 2.324 2.324 . 0 0 "[ ]" 1
564 3 46 LEU HA 3 47 ARG H 4.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
565 3 46 LEU QB 3 47 ARG H 3.000 . 3.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
566 3 46 LEU HG 3 47 ARG H 4.000 . 6.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
567 3 46 LEU QD 3 47 ARG H 4.000 . 6.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
568 3 46 LEU H 3 48 HIS H 4.000 . 6.000 3.656 3.656 3.656 . 0 0 "[ ]" 1
569 3 47 ARG H 3 47 ARG QB 2.500 . 2.900 2.523 2.523 2.523 . 0 0 "[ ]" 1
570 3 47 ARG H 3 47 ARG QG 3.000 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1
571 3 47 ARG H 3 47 ARG QD 4.000 . 5.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
572 3 47 ARG HA 3 47 ARG QB 2.500 . 2.700 2.328 2.328 2.328 . 0 0 "[ ]" 1
573 3 47 ARG HA 3 47 ARG QD 2.500 . 2.700 2.322 2.322 2.322 . 0 0 "[ ]" 1
574 3 47 ARG HA 3 47 ARG HE 3.000 . 3.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
575 3 47 ARG HB3 3 47 ARG HE 3.000 . 3.500 1.735 1.735 1.735 0.065 1 0 "[ ]" 1
576 3 47 ARG HB2 3 47 ARG HE 4.000 3.000 5.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
577 3 47 ARG HE 3 47 ARG QG 3.000 . 3.500 2.745 2.745 2.745 . 0 0 "[ ]" 1
578 3 47 ARG QD 3 47 ARG HE 2.500 . 2.900 2.539 2.539 2.539 . 0 0 "[ ]" 1
579 3 47 ARG H 3 48 HIS H 2.500 . 3.100 2.562 2.562 2.562 . 0 0 "[ ]" 1
580 3 47 ARG HA 3 48 HIS H 4.000 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
581 3 47 ARG QB 3 48 HIS H 4.000 . 6.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
582 3 47 ARG H 3 49 PHE H 4.000 . 5.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
583 3 48 HIS H 3 48 HIS QB 3.000 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
584 3 48 HIS H 3 48 HIS HD2 4.000 . 6.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
585 3 48 HIS HA 3 48 HIS QB 2.500 . 2.700 2.355 2.355 2.355 . 0 0 "[ ]" 1
586 3 48 HIS HA 3 48 HIS HD2 4.000 . 6.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
587 3 48 HIS QB 3 48 HIS HD2 3.000 . 3.300 2.700 2.700 2.700 . 0 0 "[ ]" 1
588 3 48 HIS H 3 49 PHE H 2.500 . 3.100 2.726 2.726 2.726 . 0 0 "[ ]" 1
589 3 48 HIS HA 3 49 PHE H 4.000 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
590 3 48 HIS QB 3 49 PHE H 4.000 . 5.000 1.961 1.961 1.961 . 0 0 "[ ]" 1
591 3 48 HIS H 3 50 ALA H 4.000 . 5.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
592 3 48 HIS HA 3 49 PHE QD 4.000 . 6.000 5.066 5.066 5.066 . 0 0 "[ ]" 1
593 3 49 PHE H 3 49 PHE HA 2.500 . 2.900 2.916 2.916 2.916 0.016 1 0 "[ ]" 1
594 3 49 PHE H 3 49 PHE QB 2.500 . 2.900 2.342 2.342 2.342 . 0 0 "[ ]" 1
595 3 49 PHE HA 3 49 PHE QB 2.500 . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
596 3 49 PHE HA 3 49 PHE QD 3.000 . 3.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
597 3 49 PHE HA 3 49 PHE QE 4.000 . 6.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
598 3 49 PHE QB 3 49 PHE QE 4.000 . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
599 3 49 PHE H 3 50 ALA H 3.000 . 3.700 2.756 2.756 2.756 . 0 0 "[ ]" 1
600 3 49 PHE HA 3 50 ALA H 3.000 . 3.500 3.122 3.122 3.122 . 0 0 "[ ]" 1
601 3 49 PHE QB 3 50 ALA H 3.000 . 3.500 3.589 3.589 3.589 0.089 1 0 "[ ]" 1
602 3 50 ALA H 3 50 ALA HA 3.000 . 3.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
603 3 50 ALA H 3 50 ALA MB 2.500 . 3.400 2.157 2.157 2.157 . 0 0 "[ ]" 1
604 3 50 ALA H 3 51 LYS H 4.000 . 5.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
605 3 50 ALA HA 3 51 LYS H 3.000 . 3.500 3.240 3.240 3.240 . 0 0 "[ ]" 1
606 3 50 ALA MB 3 51 LYS H 3.000 . 4.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
607 3 51 LYS H 3 51 LYS QB 2.500 . 2.900 2.423 2.423 2.423 . 0 0 "[ ]" 1
608 3 51 LYS H 3 51 LYS QG 4.000 . 5.000 2.471 2.471 2.471 . 0 0 "[ ]" 1
609 3 51 LYS HA 3 51 LYS QB 2.500 . 2.700 2.394 2.394 2.394 . 0 0 "[ ]" 1
610 3 51 LYS HA 3 51 LYS QG 3.000 . 3.300 2.399 2.399 2.399 . 0 0 "[ ]" 1
611 3 51 LYS HA 3 52 PRO QD 2.500 . 2.700 2.150 2.150 2.150 . 0 0 "[ ]" 1
612 3 51 LYS QB 3 52 PRO QD 4.000 . 5.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
613 3 52 PRO HA 3 52 PRO HB3 3.000 . 3.300 2.306 2.306 2.306 . 0 0 "[ ]" 1
614 3 52 PRO HA 3 53 GLY H 2.500 . 2.900 2.232 2.232 2.232 . 0 0 "[ ]" 1
615 3 52 PRO HB3 3 53 GLY H 4.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
616 3 52 PRO HB2 3 53 GLY H 4.000 . 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
617 3 53 GLY H 3 53 GLY HA3 2.500 . 2.900 2.364 2.364 2.364 . 0 0 "[ ]" 1
618 3 53 GLY H 3 53 GLY HA2 2.500 . 2.900 2.896 2.896 2.896 . 0 0 "[ ]" 1
619 3 53 GLY QA 3 54 VAL H 4.000 . 5.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
620 3 54 VAL H 3 54 VAL HB 4.000 . 6.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
621 3 16 ARG HA 3 16 ARG HE 5.000 4.600 15.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
622 3 35 ARG HA 3 35 ARG HE 5.000 4.600 15.000 5.658 5.658 5.658 . 0 0 "[ ]" 1
623 3 38 ARG HA 3 38 ARG HE 5.000 4.600 15.000 5.316 5.316 5.316 . 0 0 "[ ]" 1
624 3 41 ARG HA 3 41 ARG HE 5.000 4.600 15.000 4.716 4.716 4.716 . 0 0 "[ ]" 1
625 3 42 ARG HA 3 42 ARG HE 5.000 4.600 15.000 4.536 4.536 4.536 0.064 1 0 "[ ]" 1
626 2 9 DG H1 2 10 DG H1 3.000 2.500 5.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
627 1 4 DG H1 2 9 DG H1 2.500 2.300 4.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
628 1 4 DG H1 2 7 DT H3 3.000 2.500 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
629 1 6 DG H1 2 7 DT H3 3.000 2.500 5.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
630 1 6 DG H1 2 5 DT H3 3.000 2.500 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
631 1 8 DG H1 2 5 DT H3 3.000 2.500 5.000 4.164 4.164 4.164 . 0 0 "[ ]" 1
632 1 8 DG H1 1 9 DT H3 4.000 3.900 14.000 4.096 4.096 4.096 . 0 0 "[ ]" 1
633 1 9 DT H3 2 2 DT H3 2.500 2.300 4.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
634 1 8 DG H1 2 3 DA H2 3.500 3.000 6.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
635 1 6 DG H1 1 7 DA H2 2.500 2.300 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
636 1 4 DG H1 1 5 DA H2 2.500 2.300 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
637 1 5 DA H2 1 6 DG H1 3.000 2.500 5.000 4.926 4.926 4.926 . 0 0 "[ ]" 1
638 1 9 DT H3 1 10 DA H2 3.000 2.500 5.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
639 1 9 DT H3 2 3 DA H2 2.500 2.300 3.000 2.524 2.524 2.524 . 0 0 "[ ]" 1
640 1 10 DA H2 2 2 DT H3 2.500 2.300 3.000 2.739 2.739 2.739 . 0 0 "[ ]" 1
641 1 7 DA H2 2 5 DT H3 2.500 2.300 3.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
642 1 5 DA H2 2 7 DT H3 2.500 2.300 3.000 2.626 2.626 2.626 . 0 0 "[ ]" 1
643 2 7 DT H3 2 7 DT M7 4.000 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
644 1 4 DG H1 2 7 DT M7 4.000 . 6.000 5.993 5.993 5.993 . 0 0 "[ ]" 1
645 1 9 DT H3 1 9 DT M7 4.000 . 5.000 4.146 4.146 4.146 . 0 0 "[ ]" 1
646 2 7 DT H3 2 8 DC H5 4.000 . 6.000 5.075 5.075 5.075 . 0 0 "[ ]" 1
647 1 4 DG H1 2 8 DC H5 4.000 . 5.000 4.949 4.949 4.949 . 0 0 "[ ]" 1
648 1 6 DG H1 2 6 DC H5 4.000 . 6.000 5.143 5.143 5.143 . 0 0 "[ ]" 1
649 1 2 DC H5 2 9 DG H1 4.000 . 6.000 6.002 6.002 6.002 0.002 1 0 "[ ]" 1
650 1 9 DT H3 1 9 DT H6 4.000 . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 1
651 1 1 DG H1' 1 1 DG H2' 3.000 2.300 3.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
652 1 1 DG H1' 1 1 DG H2'' 2.500 . 2.510 2.273 2.273 2.273 . 0 0 "[ ]" 1
653 1 1 DG H1' 1 1 DG H8 4.000 2.500 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
654 1 1 DG H2' 1 1 DG H8 3.000 2.300 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
655 1 1 DG H3' 1 1 DG H8 4.000 2.500 5.000 3.244 3.244 3.244 . 0 0 "[ ]" 1
656 1 2 DC H1' 1 2 DC H2' 3.000 2.300 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
657 1 2 DC H1' 1 2 DC H2'' 2.500 . 2.510 2.268 2.268 2.268 . 0 0 "[ ]" 1
658 1 2 DC H1' 1 2 DC H6 4.000 2.500 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
659 1 2 DC H2' 1 2 DC H6 3.000 2.300 3.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
660 1 2 DC H3' 1 2 DC H6 4.000 2.500 5.000 3.116 3.116 3.116 . 0 0 "[ ]" 1
661 1 3 DC H1' 1 3 DC H2' 3.000 2.300 3.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
662 1 3 DC H1' 1 3 DC H2'' 2.500 . 2.510 2.273 2.273 2.273 . 0 0 "[ ]" 1
663 1 3 DC H1' 1 3 DC H6 4.000 2.500 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
664 1 3 DC H3' 1 3 DC H6 4.000 2.500 5.000 3.203 3.203 3.203 . 0 0 "[ ]" 1
665 1 4 DG H1' 1 4 DG H2' 3.000 2.300 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 1
666 1 4 DG H1' 1 4 DG H2'' 2.500 . 2.510 2.271 2.271 2.271 . 0 0 "[ ]" 1
667 1 4 DG H1' 1 4 DG H8 3.000 2.300 4.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
668 1 4 DG H1' 1 4 DG H4' 4.000 2.500 5.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
669 1 4 DG H3' 1 4 DG H8 4.000 2.500 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
670 1 5 DA H1' 1 5 DA H2' 3.000 2.300 3.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
671 1 5 DA H1' 1 5 DA H2'' 2.500 . 2.510 2.269 2.269 2.269 . 0 0 "[ ]" 1
672 1 5 DA H1' 1 5 DA H4' 4.000 2.500 5.000 3.287 3.287 3.287 . 0 0 "[ ]" 1
673 1 6 DG H1' 1 6 DG H2' 3.000 2.300 3.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
674 1 6 DG H1' 1 6 DG H2'' 3.000 2.300 3.500 2.277 2.277 2.277 0.023 1 0 "[ ]" 1
675 1 6 DG H1' 1 6 DG H8 3.000 2.300 4.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
676 1 6 DG H2' 1 6 DG H8 4.000 2.500 5.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
677 1 6 DG H1' 1 6 DG H4' 4.000 2.500 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
678 1 6 DG H3' 1 6 DG H8 4.000 2.500 5.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
679 1 7 DA H1' 1 7 DA H2' 3.000 2.300 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
680 1 7 DA H1' 1 7 DA H2'' 2.500 . 2.510 2.274 2.274 2.274 . 0 0 "[ ]" 1
681 1 7 DA H1' 1 7 DA H4' 4.000 2.500 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
682 1 8 DG H1' 1 8 DG H2' 3.000 2.300 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
683 1 8 DG H1' 1 8 DG H2'' 2.500 . 2.510 2.269 2.269 2.269 . 0 0 "[ ]" 1
684 1 8 DG H1' 1 8 DG H8 4.000 2.500 5.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
685 1 8 DG H2' 1 8 DG H8 4.000 2.500 5.000 2.506 2.506 2.506 . 0 0 "[ ]" 1
686 1 8 DG H3' 1 8 DG H8 4.000 2.500 5.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
687 1 8 DG H1' 1 8 DG H4' 4.000 2.500 5.000 3.395 3.395 3.395 . 0 0 "[ ]" 1
688 1 9 DT H1' 1 9 DT H2' 3.000 2.300 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
689 1 9 DT H1' 1 9 DT H2'' 2.500 . 2.510 2.273 2.273 2.273 . 0 0 "[ ]" 1
690 1 9 DT H1' 1 9 DT H6 3.000 2.300 4.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
691 1 9 DT H2' 1 9 DT H6 2.500 . 2.510 2.480 2.480 2.480 . 0 0 "[ ]" 1
692 1 9 DT H3' 1 9 DT H6 4.000 2.500 5.000 3.133 3.133 3.133 . 0 0 "[ ]" 1
693 1 9 DT H1' 1 9 DT H4' 4.000 2.500 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
694 1 10 DA H1' 1 10 DA H2' 3.000 2.300 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 1
695 1 10 DA H1' 1 10 DA H2'' 2.500 . 2.510 2.266 2.266 2.266 . 0 0 "[ ]" 1
696 1 10 DA H1' 1 10 DA H8 3.000 2.300 4.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
697 1 10 DA H2' 1 10 DA H8 2.500 . 2.510 2.522 2.522 2.522 0.012 1 0 "[ ]" 1
698 1 10 DA H3' 1 10 DA H8 4.000 2.500 5.000 3.090 3.090 3.090 . 0 0 "[ ]" 1
699 1 10 DA H1' 1 10 DA H4' 4.000 2.500 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
700 1 11 DC H1' 1 11 DC H2' 3.000 2.300 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
701 1 11 DC H1' 1 11 DC H2'' 2.500 . 2.510 2.277 2.277 2.277 . 0 0 "[ ]" 1
702 1 11 DC H1' 1 11 DC H6 3.000 2.300 4.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
703 1 11 DC H2' 1 11 DC H6 2.500 . 2.510 2.533 2.533 2.533 0.023 1 0 "[ ]" 1
704 1 11 DC H3' 1 11 DC H6 3.000 2.300 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
705 1 11 DC H1' 1 11 DC H4' 3.000 2.300 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
706 2 1 DG H1' 2 1 DG H2' 3.000 2.300 3.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
707 2 1 DG H1' 2 1 DG H2'' 2.500 . 2.510 2.269 2.269 2.269 . 0 0 "[ ]" 1
708 2 1 DG H1' 2 1 DG H8 4.000 2.500 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
709 2 1 DG H2' 2 1 DG H8 2.500 . 2.510 2.446 2.446 2.446 . 0 0 "[ ]" 1
710 2 1 DG H3' 2 1 DG H8 4.000 2.500 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
711 2 1 DG H1' 2 1 DG H4' 4.000 2.500 5.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
712 2 2 DT H1' 2 2 DT H2' 3.000 2.300 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
713 2 2 DT H1' 2 2 DT H2'' 2.500 . 2.510 2.274 2.274 2.274 . 0 0 "[ ]" 1
714 2 2 DT H1' 2 2 DT H6 4.000 2.500 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
715 2 2 DT H2' 2 2 DT H6 4.000 2.500 5.000 2.526 2.526 2.526 . 0 0 "[ ]" 1
716 2 2 DT H3' 2 2 DT H6 4.000 2.500 5.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
717 2 2 DT H1' 2 2 DT H4' 4.000 2.500 5.000 3.324 3.324 3.324 . 0 0 "[ ]" 1
718 2 3 DA H1' 2 3 DA H2' 3.000 2.300 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
719 2 3 DA H1' 2 3 DA H2'' 2.500 . 2.510 2.269 2.269 2.269 . 0 0 "[ ]" 1
720 2 3 DA H1' 2 3 DA H8 3.000 2.300 4.000 3.913 3.913 3.913 . 0 0 "[ ]" 1
721 2 3 DA H2' 2 3 DA H8 2.500 . 2.510 2.421 2.421 2.421 . 0 0 "[ ]" 1
722 2 3 DA H3' 2 3 DA H8 4.000 2.500 5.000 3.696 3.696 3.696 . 0 0 "[ ]" 1
723 2 3 DA H1' 2 3 DA H4' 4.000 2.500 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
724 2 4 DC H1' 2 4 DC H2' 3.000 2.300 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
725 2 4 DC H1' 2 4 DC H2'' 2.500 . 2.510 2.270 2.270 2.270 . 0 0 "[ ]" 1
726 2 4 DC H1' 2 4 DC H6 3.000 2.300 4.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
727 2 4 DC H2' 2 4 DC H6 2.500 . 2.510 2.460 2.460 2.460 . 0 0 "[ ]" 1
728 2 4 DC H3' 2 4 DC H6 4.000 2.500 5.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
729 2 4 DC H1' 2 4 DC H4' 4.000 2.500 5.000 3.380 3.380 3.380 . 0 0 "[ ]" 1
730 2 5 DT H1' 2 5 DT H2' 3.000 2.300 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
731 2 5 DT H1' 2 5 DT H2'' 2.500 . 2.510 2.270 2.270 2.270 . 0 0 "[ ]" 1
732 2 5 DT H1' 2 5 DT H6 4.000 2.500 5.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
733 2 5 DT H2' 2 5 DT H6 4.000 2.500 5.000 2.575 2.575 2.575 . 0 0 "[ ]" 1
734 2 5 DT H3' 2 5 DT H6 4.000 2.500 5.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
735 2 5 DT H1' 2 5 DT H4' 4.000 2.500 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
736 2 6 DC H1' 2 6 DC H2' 3.000 2.300 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
737 2 6 DC H1' 2 6 DC H2'' 2.500 . 2.510 2.288 2.288 2.288 . 0 0 "[ ]" 1
738 2 6 DC H1' 2 6 DC H6 3.000 2.300 4.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
739 2 6 DC H2' 2 6 DC H6 4.000 2.500 5.000 2.454 2.454 2.454 0.046 1 0 "[ ]" 1
740 2 6 DC H3' 2 6 DC H6 3.000 2.300 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
741 2 6 DC H1' 2 6 DC H4' 4.000 2.500 5.000 3.249 3.249 3.249 . 0 0 "[ ]" 1
742 2 7 DT H1' 2 7 DT H2' 3.000 2.300 3.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
743 2 7 DT H1' 2 7 DT H2'' 2.500 . 2.510 2.260 2.260 2.260 . 0 0 "[ ]" 1
744 2 7 DT H1' 2 7 DT H6 4.000 2.500 5.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
745 2 7 DT H2' 2 7 DT H6 4.000 2.500 5.000 2.430 2.430 2.430 0.070 1 0 "[ ]" 1
746 2 7 DT H3' 2 7 DT H6 3.000 2.300 3.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
747 2 7 DT H1' 2 7 DT H4' 4.000 2.500 5.000 3.217 3.217 3.217 . 0 0 "[ ]" 1
748 2 8 DC H1' 2 8 DC H2' 3.000 2.300 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
749 2 8 DC H1' 2 8 DC H2'' 2.500 . 2.510 2.274 2.274 2.274 . 0 0 "[ ]" 1
750 2 8 DC H1' 2 8 DC H6 3.000 2.300 4.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
751 2 8 DC H2' 2 8 DC H6 3.000 2.300 3.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
752 2 8 DC H3' 2 8 DC H6 4.000 2.500 5.000 3.237 3.237 3.237 . 0 0 "[ ]" 1
753 2 8 DC H1' 2 8 DC H4' 3.000 2.300 3.500 3.260 3.260 3.260 . 0 0 "[ ]" 1
754 2 9 DG H1' 2 9 DG H2' 3.000 2.300 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
755 2 9 DG H1' 2 9 DG H2'' 2.500 . 2.510 2.261 2.261 2.261 . 0 0 "[ ]" 1
756 2 9 DG H1' 2 9 DG H8 4.000 2.500 5.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
757 2 9 DG H2' 2 9 DG H8 3.000 2.300 3.500 2.652 2.652 2.652 . 0 0 "[ ]" 1
758 2 9 DG H3' 2 9 DG H8 4.000 2.500 5.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
759 2 9 DG H1' 2 9 DG H4' 3.000 2.300 3.500 3.387 3.387 3.387 . 0 0 "[ ]" 1
760 2 10 DG H1' 2 10 DG H2' 3.000 2.300 3.500 2.914 2.914 2.914 . 0 0 "[ ]" 1
761 2 10 DG H1' 2 10 DG H2'' 2.500 . 2.510 2.275 2.275 2.275 . 0 0 "[ ]" 1
762 2 10 DG H1' 2 10 DG H8 4.000 2.500 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
763 2 10 DG H2' 2 10 DG H8 3.000 2.300 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1
764 2 10 DG H3' 2 10 DG H8 3.000 2.300 3.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
765 2 10 DG H1' 2 10 DG H4' 3.000 2.300 3.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
766 2 11 DC H1' 2 11 DC H2' 3.000 2.300 3.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
767 2 11 DC H1' 2 11 DC H2'' 2.500 . 2.510 2.272 2.272 2.272 . 0 0 "[ ]" 1
768 2 11 DC H1' 2 11 DC H6 3.000 2.300 4.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
769 2 11 DC H2' 2 11 DC H6 3.000 . 3.500 2.530 2.530 2.530 . 0 0 "[ ]" 1
770 2 11 DC H3' 2 11 DC H6 3.000 2.300 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
771 2 11 DC H1' 2 11 DC H4' 3.000 2.300 3.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
772 1 1 DG H1' 1 2 DC H6 4.000 2.500 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
773 1 1 DG H2' 1 2 DC H6 3.000 2.300 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
774 1 1 DG H2'' 1 2 DC H6 2.500 . 2.510 2.411 2.411 2.411 . 0 0 "[ ]" 1
775 1 1 DG H8 1 2 DC H5 4.000 2.500 5.000 4.819 4.819 4.819 . 0 0 "[ ]" 1
776 1 1 DG H2' 1 2 DC H5 4.000 2.500 5.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
777 1 1 DG H2'' 1 2 DC H5 4.000 2.500 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
778 1 2 DC H1' 1 3 DC H6 4.000 2.500 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
779 1 2 DC H2'' 1 3 DC H6 3.000 2.300 5.000 2.336 2.336 2.336 . 0 0 "[ ]" 1
780 1 2 DC H2' 1 3 DC H6 4.000 2.500 5.000 2.659 2.659 2.659 . 0 0 "[ ]" 1
781 1 2 DC H2'' 1 3 DC H5 4.000 2.500 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
782 1 2 DC H2' 1 3 DC H5 4.000 2.500 5.000 2.584 2.584 2.584 . 0 0 "[ ]" 1
783 1 3 DC H1' 1 4 DG H8 4.000 2.500 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
784 1 3 DC H6 1 4 DG H8 4.000 2.500 5.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
785 1 4 DG H8 1 5 DA H8 4.000 2.500 6.000 4.821 4.821 4.821 . 0 0 "[ ]" 1
786 1 5 DA H1' 1 6 DG H8 4.000 2.500 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
787 1 7 DA H1' 1 8 DG H8 4.000 2.500 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
788 1 7 DA H8 1 8 DG H8 4.000 2.500 6.000 4.914 4.914 4.914 . 0 0 "[ ]" 1
789 1 8 DG H1' 1 9 DT H6 4.000 2.500 5.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
790 1 8 DG H1' 1 9 DT M7 3.000 2.300 4.000 4.154 4.154 4.154 0.154 1 0 "[ ]" 1
791 1 8 DG H2' 1 9 DT M7 3.000 2.300 4.000 2.251 2.251 2.251 0.049 1 0 "[ ]" 1
792 1 8 DG H2'' 1 9 DT M7 3.000 2.300 4.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
793 1 8 DG H8 1 9 DT M7 4.000 2.500 5.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
794 1 8 DG H2' 1 9 DT H6 4.000 2.500 5.000 3.310 3.310 3.310 . 0 0 "[ ]" 1
795 1 8 DG H2'' 1 9 DT H6 2.500 . 2.510 2.302 2.302 2.302 . 0 0 "[ ]" 1
796 1 9 DT H1' 1 10 DA H8 4.000 2.500 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
797 1 9 DT H2' 1 10 DA H8 4.000 2.500 5.000 2.809 2.809 2.809 . 0 0 "[ ]" 1
798 1 9 DT H2'' 1 10 DA H8 2.500 . 2.510 2.344 2.344 2.344 . 0 0 "[ ]" 1
799 1 9 DT H3' 1 10 DA H8 4.000 2.500 5.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
800 1 10 DA H1' 1 11 DC H6 3.000 2.300 4.000 4.057 4.057 4.057 0.057 1 0 "[ ]" 1
801 1 10 DA H2' 1 11 DC H6 4.000 2.500 5.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
802 1 10 DA H2'' 1 11 DC H6 2.500 . 2.510 2.305 2.305 2.305 . 0 0 "[ ]" 1
803 1 10 DA H8 1 11 DC H6 4.000 2.500 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
804 1 10 DA H8 1 11 DC H5 4.000 2.500 5.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
805 2 1 DG H1' 2 2 DT H6 4.000 2.500 5.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
806 2 1 DG H1' 2 2 DT M7 3.000 2.300 4.000 4.162 4.162 4.162 0.162 1 0 "[ ]" 1
807 2 1 DG H2' 2 2 DT H6 3.000 2.300 3.500 3.595 3.595 3.595 0.095 1 0 "[ ]" 1
808 2 1 DG H2'' 2 2 DT H6 2.500 . 2.510 2.362 2.362 2.362 . 0 0 "[ ]" 1
809 2 1 DG H8 2 2 DT M7 3.000 2.300 4.000 3.938 3.938 3.938 . 0 0 "[ ]" 1
810 2 2 DT H3' 2 3 DA H8 4.000 2.500 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
811 2 2 DT H2' 2 3 DA H8 4.000 2.500 5.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
812 2 2 DT H2'' 2 3 DA H8 3.000 2.300 3.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
813 2 2 DT H6 2 3 DA H8 4.000 2.500 6.000 5.025 5.025 5.025 . 0 0 "[ ]" 1
814 2 2 DT H1' 2 3 DA H8 4.000 2.500 5.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
815 2 3 DA H1' 2 4 DC H6 3.000 2.300 3.500 3.631 3.631 3.631 0.131 1 0 "[ ]" 1
816 2 3 DA H8 2 4 DC H6 4.000 2.500 6.000 5.575 5.575 5.575 . 0 0 "[ ]" 1
817 2 3 DA H8 2 4 DC H5 4.000 2.500 6.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
818 2 3 DA H2'' 2 4 DC H6 3.000 2.300 3.500 2.284 2.284 2.284 0.016 1 0 "[ ]" 1
819 2 3 DA H2' 2 4 DC H6 4.000 2.500 5.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
820 2 3 DA H3' 2 4 DC H6 4.000 2.500 5.000 4.918 4.918 4.918 . 0 0 "[ ]" 1
821 2 4 DC H1' 2 5 DT H6 4.000 2.500 5.000 5.043 5.043 5.043 0.043 1 0 "[ ]" 1
822 2 4 DC H3' 2 5 DT H6 4.000 2.500 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
823 2 4 DC H1' 2 5 DT M7 4.000 2.500 5.500 4.789 4.789 4.789 . 0 0 "[ ]" 1
824 2 4 DC H2' 2 5 DT M7 3.000 2.300 4.000 2.271 2.271 2.271 0.029 1 0 "[ ]" 1
825 2 4 DC H2'' 2 5 DT M7 3.000 2.300 4.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
826 2 4 DC H6 2 5 DT M7 3.000 2.300 4.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
827 2 4 DC H6 2 5 DT H6 4.000 2.500 5.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
828 2 4 DC H2'' 2 5 DT H6 3.000 2.300 3.500 3.079 3.079 3.079 . 0 0 "[ ]" 1
829 2 4 DC H2' 2 5 DT H6 4.000 2.500 5.000 2.716 2.716 2.716 . 0 0 "[ ]" 1
830 2 5 DT H1' 2 6 DC H6 4.000 2.500 5.000 4.206 4.206 4.206 . 0 0 "[ ]" 1
831 2 5 DT H3' 2 6 DC H6 4.000 2.500 5.000 4.122 4.122 4.122 . 0 0 "[ ]" 1
832 2 5 DT M7 2 6 DC H5 4.000 2.500 5.500 4.216 4.216 4.216 . 0 0 "[ ]" 1
833 2 5 DT H2'' 2 6 DC H6 2.500 . 2.510 2.334 2.334 2.334 . 0 0 "[ ]" 1
834 2 5 DT H2' 2 6 DC H6 3.000 2.300 3.500 2.570 2.570 2.570 . 0 0 "[ ]" 1
835 2 5 DT H2'' 2 6 DC H5 4.000 2.500 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
836 2 5 DT H2' 2 6 DC H5 4.000 2.500 5.000 2.670 2.670 2.670 . 0 0 "[ ]" 1
837 2 5 DT H6 2 6 DC H6 4.000 2.500 5.000 5.084 5.084 5.084 0.084 1 0 "[ ]" 1
838 2 6 DC H1' 2 7 DT H6 4.000 2.500 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
839 2 6 DC H1' 2 7 DT M7 4.000 2.500 5.500 4.537 4.537 4.537 . 0 0 "[ ]" 1
840 2 6 DC H2'' 2 7 DT H6 3.000 2.300 3.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
841 2 6 DC H2' 2 7 DT H6 4.000 2.500 5.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
842 2 6 DC H2'' 2 7 DT M7 4.000 2.500 5.500 3.328 3.328 3.328 . 0 0 "[ ]" 1
843 2 6 DC H2' 2 7 DT M7 4.000 2.500 5.500 2.367 2.367 2.367 0.133 1 0 "[ ]" 1
844 2 6 DC H6 2 7 DT H6 4.000 . 5.000 5.082 5.082 5.082 0.082 1 0 "[ ]" 1
845 2 6 DC H5 2 7 DT M7 4.000 2.500 5.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
846 2 6 DC H6 2 7 DT M7 3.000 2.300 4.000 3.186 3.186 3.186 . 0 0 "[ ]" 1
847 2 7 DT H1' 2 8 DC H6 4.000 2.500 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
848 2 7 DT H2' 2 8 DC H6 4.000 2.500 5.000 2.821 2.821 2.821 . 0 0 "[ ]" 1
849 2 7 DT H2'' 2 8 DC H6 2.500 . 2.510 2.304 2.304 2.304 . 0 0 "[ ]" 1
850 2 7 DT H3' 2 8 DC H6 4.000 2.500 5.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
851 2 7 DT M7 2 8 DC H5 3.000 2.300 4.000 4.015 4.015 4.015 0.015 1 0 "[ ]" 1
852 2 7 DT H6 2 8 DC H6 4.000 2.500 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
853 2 7 DT H2' 2 8 DC H5 4.000 2.500 5.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
854 2 7 DT H2'' 2 8 DC H5 4.000 2.500 5.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
855 2 8 DC H1' 2 9 DG H8 4.000 2.500 5.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
856 2 8 DC H6 2 9 DG H8 4.000 2.500 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
857 2 9 DG H1' 2 10 DG H8 3.000 2.300 3.500 3.665 3.665 3.665 0.165 1 0 "[ ]" 1
858 2 10 DG H1' 2 11 DC H6 4.000 2.500 5.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
859 2 10 DG H3' 2 11 DC H6 5.000 3.000 6.000 4.519 4.519 4.519 . 0 0 "[ ]" 1
860 2 10 DG H2' 2 11 DC H6 4.000 2.500 5.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
861 2 10 DG H2'' 2 11 DC H6 2.500 . 2.510 2.373 2.373 2.373 . 0 0 "[ ]" 1
862 2 10 DG H2' 2 11 DC H5 4.000 2.500 5.000 2.764 2.764 2.764 . 0 0 "[ ]" 1
863 2 10 DG H8 2 11 DC H5 4.000 2.500 5.000 4.716 4.716 4.716 . 0 0 "[ ]" 1
864 2 3 DA H8 3 21 SER QB 3.000 . 3.500 3.076 3.076 3.076 . 0 0 "[ ]" 1
865 2 3 DA H3' 3 21 SER QB 3.000 . 3.500 2.825 2.825 2.825 . 0 0 "[ ]" 1
866 2 4 DC H5 3 21 SER QB 4.000 . 5.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
867 2 3 DA H2' 3 21 SER QB 4.000 . 5.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
868 2 3 DA H2'' 3 21 SER QB 4.000 . 6.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
869 1 5 DA H3' 3 19 SER HB3 3.000 . 3.500 3.262 3.262 3.262 . 0 0 "[ ]" 1
870 1 5 DA H3' 3 19 SER HB2 4.000 . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
871 1 5 DA H3' 3 19 SER HA 4.000 . 5.000 4.810 4.810 4.810 . 0 0 "[ ]" 1
872 2 2 DT H6 3 17 SER QB 4.000 . 5.000 4.740 4.740 4.740 . 0 0 "[ ]" 1
873 2 2 DT M7 3 17 SER QB 3.000 . 4.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
874 2 2 DT H2' 3 17 SER QB 4.000 . 5.000 4.524 4.524 4.524 . 0 0 "[ ]" 1
875 2 2 DT H3' 3 17 SER QB 4.000 . 6.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
876 1 2 DC H6 3 46 LEU MD1 3.000 . 3.800 3.759 3.759 3.759 . 0 0 "[ ]" 1
877 1 3 DC H6 3 46 LEU MD1 4.000 . 5.500 4.325 4.325 4.325 . 0 0 "[ ]" 1
878 1 2 DC H1' 3 46 LEU MD1 4.000 . 6.900 5.607 5.607 5.607 . 0 0 "[ ]" 1
879 1 2 DC H3' 3 46 LEU MD1 3.000 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
880 1 2 DC H2' 3 46 LEU MD1 3.000 . 3.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
881 1 2 DC H2'' 3 46 LEU MD1 4.000 . 5.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
882 1 3 DC H3' 3 34 ILE MD 3.000 . 4.000 2.948 2.948 2.948 . 0 0 "[ ]" 1
883 1 3 DC H5' 3 34 ILE MD 4.000 . 5.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
884 1 3 DC H5'' 3 34 ILE MD 4.000 . 5.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
885 1 3 DC H3' 3 34 ILE MG 3.000 . 4.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
886 1 4 DG H3' 3 34 ILE MG 4.000 . 5.500 5.318 5.318 5.318 . 0 0 "[ ]" 1
887 1 3 DC Q5' 3 34 ILE MG 4.000 . 6.500 4.717 4.717 4.717 . 0 0 "[ ]" 1
888 1 3 DC Q5' 3 43 HIS HD1 4.000 . 5.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
889 1 3 DC H6 3 43 HIS HD1 4.000 . 6.500 6.288 6.288 6.288 . 0 0 "[ ]" 1
890 1 3 DC H5 3 42 ARG QD 4.000 . 5.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
891 2 5 DT M7 3 38 ARG HA 3.000 . 4.000 4.023 4.023 4.023 0.023 1 0 "[ ]" 1
892 2 4 DC H5 3 38 ARG QB 4.000 . 6.500 6.415 6.415 6.415 . 0 0 "[ ]" 1
893 2 5 DT H3' 3 38 ARG QD 4.000 . 6.500 6.417 6.417 6.417 . 0 0 "[ ]" 1
894 2 5 DT M7 3 38 ARG QD 4.000 . 5.500 2.048 2.048 2.048 . 0 0 "[ ]" 1
895 1 4 DG H3' 3 35 ARG QD 3.000 . 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
896 1 4 DG H3' 3 35 ARG QG 3.000 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
897 1 4 DG H3' 3 35 ARG QB 3.000 . 3.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
898 1 4 DG H4' 3 35 ARG QD 4.000 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
899 1 4 DG H5' 3 35 ARG QD 4.000 . 5.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
900 1 4 DG H5'' 3 35 ARG QD 4.000 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
901 1 2 DC H3' 3 47 ARG QD 4.000 . 5.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
902 1 2 DC H4' 3 47 ARG QD 4.000 . 5.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
903 1 2 DC H5' 3 47 ARG QD 4.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
904 1 2 DC H5'' 3 47 ARG QD 4.000 . 5.000 2.572 2.572 2.572 . 0 0 "[ ]" 1
905 1 5 DA H2' 3 36 GLN QE 4.000 . 5.000 2.539 2.539 2.539 . 0 0 "[ ]" 1
906 1 5 DA H3' 3 36 GLN QE 4.000 . 6.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
907 1 5 DA Q5' 3 36 GLN QE 4.000 . 5.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
908 2 4 DC H5 3 18 ARG QD 4.000 . 5.000 5.205 5.205 5.205 0.205 1 0 "[ ]" 1
909 1 6 DG H3' 3 18 ARG QB 4.000 . 6.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
910 2 7 DT H1' 3 5 ARG QD 3.000 . 3.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
911 2 7 DT H1' 3 5 ARG QG 4.000 . 6.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
912 2 6 DC H1' 3 5 ARG QD 4.000 . 5.000 3.141 3.141 3.141 . 0 0 "[ ]" 1
913 2 7 DT H4' 3 5 ARG QD 3.000 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
914 2 7 DT H5' 3 5 ARG QD 3.000 . 3.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
915 2 7 DT H5'' 3 5 ARG QD 3.000 . 3.500 3.450 3.450 3.450 . 0 0 "[ ]" 1
916 2 7 DT H4' 3 5 ARG HE 4.000 . 5.000 5.159 5.159 5.159 0.159 1 0 "[ ]" 1
917 2 7 DT H5' 3 5 ARG HE 4.000 2.500 6.000 5.345 5.345 5.345 . 0 0 "[ ]" 1
918 2 7 DT H5'' 3 5 ARG HE 4.000 2.500 6.000 6.168 6.168 6.168 0.168 1 0 "[ ]" 1
919 2 7 DT H4' 3 5 ARG QG 4.000 . 5.000 2.262 2.262 2.262 . 0 0 "[ ]" 1
920 2 7 DT H5' 3 5 ARG QG 4.000 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
921 2 7 DT H5'' 3 5 ARG QG 4.000 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
922 2 7 DT H5' 3 5 ARG QB 4.000 . 5.000 4.684 4.684 4.684 . 0 0 "[ ]" 1
923 2 7 DT H5'' 3 5 ARG QB 4.000 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
924 1 6 DG H1' 3 7 LYS QE 4.000 . 6.000 2.577 2.577 2.577 . 0 0 "[ ]" 1
925 1 5 DA H2 3 7 LYS QE 3.000 . 3.500 2.853 2.853 2.853 . 0 0 "[ ]" 1
926 1 6 DG H4' 3 7 LYS QE 4.000 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
927 1 6 DG Q5' 3 7 LYS QE 4.000 . 5.000 4.507 4.507 4.507 . 0 0 "[ ]" 1
928 1 6 DG H4' 3 7 LYS QD 4.000 . 5.000 3.053 3.053 3.053 . 0 0 "[ ]" 1
929 1 6 DG Q5' 3 7 LYS QD 4.000 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
930 1 6 DG H4' 3 7 LYS QG 4.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
931 1 6 DG Q5' 3 7 LYS QG 4.000 . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 1
932 1 6 DG H4' 3 7 LYS QB 4.000 . 6.000 3.172 3.172 3.172 . 0 0 "[ ]" 1
933 1 6 DG Q5' 3 7 LYS QB 4.000 . 5.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
934 1 6 DG H4' 3 12 THR MG 4.000 . 5.500 4.477 4.477 4.477 . 0 0 "[ ]" 1
935 1 6 DG H5' 3 12 THR MG 4.000 . 5.500 5.391 5.391 5.391 . 0 0 "[ ]" 1
936 1 6 DG H5'' 3 12 THR MG 4.000 . 5.500 5.247 5.247 5.247 . 0 0 "[ ]" 1
937 1 6 DG H8 3 14 LYS QE 4.000 . 5.000 5.140 5.140 5.140 0.140 1 0 "[ ]" 1
938 1 6 DG H3' 3 14 LYS QE 4.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 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 40
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.614
_Distance_constraint_stats_list.Viol_max 0.277
_Distance_constraint_stats_list.Viol_rms 0.0534
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.1227
_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 DC 0.100 0.100 1 0 "[ ]"
1 4 DG 0.000 0.000 . 0 "[ ]"
1 5 DA 0.000 0.000 . 0 "[ ]"
1 6 DG 0.000 0.000 . 0 "[ ]"
1 7 DA 0.066 0.066 1 0 "[ ]"
1 8 DG 0.000 0.000 . 0 "[ ]"
2 3 DA 0.004 0.004 1 0 "[ ]"
2 4 DC 0.167 0.167 1 0 "[ ]"
2 6 DC 0.277 0.277 1 0 "[ ]"
2 7 DT 0.000 0.000 . 0 "[ ]"
2 8 DC 0.000 0.000 . 0 "[ ]"
3 5 ARG 0.000 0.000 . 0 "[ ]"
3 18 ARG 0.170 0.167 1 0 "[ ]"
3 38 ARG 0.343 0.277 1 0 "[ ]"
3 39 ASN 0.000 0.000 . 0 "[ ]"
3 42 ARG 0.100 0.100 1 0 "[ ]"
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 5 DA N6 3 42 ARG NH1 4.100 4.000 14.100 4.379 4.379 4.379 . 0 0 "[ ]" 2
2 1 3 DC N4 3 42 ARG NH1 4.100 4.000 14.100 3.900 3.900 3.900 0.100 1 0 "[ ]" 2
3 2 8 DC N4 3 42 ARG NH1 4.100 4.000 14.100 4.029 4.029 4.029 . 0 0 "[ ]" 2
4 1 5 DA N6 3 42 ARG NH2 4.100 4.000 14.100 4.363 4.363 4.363 . 0 0 "[ ]" 2
5 1 3 DC N4 3 42 ARG NH2 4.100 4.000 14.100 4.617 4.617 4.617 . 0 0 "[ ]" 2
6 2 8 DC N4 3 42 ARG NH2 4.100 4.000 14.100 5.716 5.716 5.716 . 0 0 "[ ]" 2
7 1 5 DA N6 3 42 ARG NE 4.100 4.000 14.100 5.392 5.392 5.392 . 0 0 "[ ]" 2
8 1 3 DC N4 3 42 ARG NE 4.100 4.000 14.100 5.533 5.533 5.533 . 0 0 "[ ]" 2
9 2 8 DC N4 3 42 ARG NE 4.100 4.000 14.100 6.231 6.231 6.231 . 0 0 "[ ]" 2
10 1 5 DA N6 3 38 ARG NH1 4.100 4.000 14.100 5.741 5.741 5.741 . 0 0 "[ ]" 2
11 1 7 DA N6 3 38 ARG NH1 4.100 4.000 14.100 3.934 3.934 3.934 0.066 1 0 "[ ]" 2
12 2 6 DC N4 3 38 ARG NH1 4.100 4.000 14.100 3.723 3.723 3.723 0.277 1 0 "[ ]" 2
13 1 5 DA N6 3 38 ARG NH2 4.100 4.000 14.100 6.753 6.753 6.753 . 0 0 "[ ]" 2
14 1 7 DA N6 3 38 ARG NH2 4.100 4.000 14.100 4.886 4.886 4.886 . 0 0 "[ ]" 2
15 2 6 DC N4 3 38 ARG NH2 4.100 4.000 14.100 5.798 5.798 5.798 . 0 0 "[ ]" 2
16 1 5 DA N6 3 38 ARG NE 4.100 4.000 14.100 5.820 5.820 5.820 . 0 0 "[ ]" 2
17 1 7 DA N6 3 38 ARG NE 4.100 4.000 14.100 6.003 6.003 6.003 . 0 0 "[ ]" 2
18 2 6 DC N4 3 38 ARG NE 4.100 4.000 14.100 4.563 4.563 4.563 . 0 0 "[ ]" 2
19 2 3 DA N6 3 18 ARG NH1 4.100 4.000 14.100 3.996 3.996 3.996 0.004 1 0 "[ ]" 2
20 1 7 DA N6 3 18 ARG NH1 4.100 4.000 14.100 5.105 5.105 5.105 . 0 0 "[ ]" 2
21 2 4 DC N4 3 18 ARG NH1 4.100 4.000 14.100 3.833 3.833 3.833 0.167 1 0 "[ ]" 2
22 2 3 DA N6 3 18 ARG NH2 4.100 4.000 14.100 5.626 5.626 5.626 . 0 0 "[ ]" 2
23 1 7 DA N6 3 18 ARG NH2 4.100 4.000 14.100 6.318 6.318 6.318 . 0 0 "[ ]" 2
24 2 4 DC N4 3 18 ARG NH2 4.100 4.000 14.100 6.000 6.000 6.000 . 0 0 "[ ]" 2
25 2 3 DA N6 3 18 ARG NE 4.100 4.000 14.100 5.943 5.943 5.943 . 0 0 "[ ]" 2
26 1 7 DA N6 3 18 ARG NE 4.100 4.000 14.100 5.447 5.447 5.447 . 0 0 "[ ]" 2
27 2 4 DC N4 3 18 ARG NE 4.100 4.000 14.100 5.426 5.426 5.426 . 0 0 "[ ]" 2
28 1 6 DG N2 3 5 ARG NH1 4.100 4.000 14.100 4.051 4.051 4.051 . 0 0 "[ ]" 2
29 1 8 DG N2 3 5 ARG NH1 4.100 4.000 14.100 6.433 6.433 6.433 . 0 0 "[ ]" 2
30 1 6 DG N2 3 5 ARG NH2 4.100 4.000 14.100 5.303 5.303 5.303 . 0 0 "[ ]" 2
31 1 8 DG N2 3 5 ARG NH2 4.100 4.000 14.100 5.529 5.529 5.529 . 0 0 "[ ]" 2
32 1 6 DG N2 3 5 ARG NE 4.100 4.000 14.100 4.260 4.260 4.260 . 0 0 "[ ]" 2
33 1 8 DG N2 3 5 ARG NE 4.100 4.000 14.100 7.703 7.703 7.703 . 0 0 "[ ]" 2
34 1 5 DA N6 3 39 ASN ND2 4.100 4.000 14.100 4.035 4.035 4.035 . 0 0 "[ ]" 2
35 2 6 DC N4 3 39 ASN ND2 4.100 4.000 14.100 6.489 6.489 6.489 . 0 0 "[ ]" 2
36 2 8 DC N4 3 39 ASN ND2 4.100 4.000 14.100 8.421 8.421 8.421 . 0 0 "[ ]" 2
37 1 4 DG N7 3 39 ASN OD1 4.100 4.000 14.100 4.115 4.115 4.115 . 0 0 "[ ]" 2
38 1 5 DA N7 3 39 ASN OD1 4.100 4.000 14.100 4.464 4.464 4.464 . 0 0 "[ ]" 2
39 1 6 DG N7 3 39 ASN OD1 4.100 4.000 14.100 8.795 8.795 8.795 . 0 0 "[ ]" 2
40 2 7 DT O4 3 39 ASN OD1 4.100 4.000 14.100 5.113 5.113 5.113 . 0 0 "[ ]" 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 64
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.181
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0363
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DG 0.000 0.000 . 0 "[ ]"
1 2 DC 0.000 0.000 . 0 "[ ]"
1 3 DC 0.000 0.000 . 0 "[ ]"
1 4 DG 0.000 0.000 . 0 "[ ]"
1 5 DA 0.000 0.000 . 0 "[ ]"
1 6 DG 0.100 0.058 1 0 "[ ]"
1 7 DA 0.033 0.033 1 0 "[ ]"
1 8 DG 0.000 0.000 . 0 "[ ]"
1 9 DT 0.000 0.000 . 0 "[ ]"
1 10 DA 0.000 0.000 . 0 "[ ]"
1 11 DC 0.000 0.000 . 0 "[ ]"
2 1 DG 0.000 0.000 . 0 "[ ]"
2 2 DT 0.000 0.000 . 0 "[ ]"
2 3 DA 0.000 0.000 . 0 "[ ]"
2 4 DC 0.000 0.000 . 0 "[ ]"
2 5 DT 0.033 0.033 1 0 "[ ]"
2 6 DC 0.100 0.058 1 0 "[ ]"
2 7 DT 0.000 0.000 . 0 "[ ]"
2 8 DC 0.000 0.000 . 0 "[ ]"
2 9 DG 0.000 0.000 . 0 "[ ]"
2 10 DG 0.000 0.000 . 0 "[ ]"
2 11 DC 0.000 0.000 . 0 "[ ]"
3 25 ALA 0.000 0.000 . 0 "[ ]"
3 27 CYS 0.000 0.000 . 0 "[ ]"
3 32 ALA 0.000 0.000 . 0 "[ ]"
3 34 ILE 0.000 0.000 . 0 "[ ]"
3 36 GLN 0.000 0.000 . 0 "[ ]"
3 37 SER 0.000 0.000 . 0 "[ ]"
3 38 ARG 0.048 0.046 1 0 "[ ]"
3 39 ASN 0.000 0.000 . 0 "[ ]"
3 40 LEU 0.000 0.000 . 0 "[ ]"
3 41 ARG 0.000 0.000 . 0 "[ ]"
3 42 ARG 0.048 0.046 1 0 "[ ]"
3 43 HIS 0.000 0.000 . 0 "[ ]"
3 44 LEU 0.000 0.000 . 0 "[ ]"
3 45 GLU 0.000 0.000 . 0 "[ ]"
3 46 LEU 0.000 0.000 . 0 "[ ]"
3 47 ARG 0.000 0.000 . 0 "[ ]"
3 49 PHE 0.000 0.000 . 0 "[ ]"
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 3 37 SER O 3 41 ARG N 2.800 2.400 3.500 3.382 3.382 3.382 . 0 0 "[ ]" 3
2 3 38 ARG O 3 42 ARG N 2.800 2.400 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 3
3 3 39 ASN O 3 43 HIS N 2.800 2.400 3.500 2.827 2.827 2.827 . 0 0 "[ ]" 3
4 3 40 LEU O 3 44 LEU N 2.800 2.400 3.500 3.133 3.133 3.133 . 0 0 "[ ]" 3
5 3 41 ARG O 3 45 GLU N 2.800 2.400 3.500 3.369 3.369 3.369 . 0 0 "[ ]" 3
6 3 37 SER O 3 41 ARG H 1.800 . 2.500 2.465 2.465 2.465 . 0 0 "[ ]" 3
7 3 38 ARG O 3 42 ARG H 1.800 . 2.500 2.546 2.546 2.546 0.046 1 0 "[ ]" 3
8 3 39 ASN O 3 43 HIS H 1.800 . 2.500 1.947 1.947 1.947 . 0 0 "[ ]" 3
9 3 40 LEU O 3 44 LEU H 1.800 . 2.500 2.305 2.305 2.305 . 0 0 "[ ]" 3
10 3 41 ARG O 3 45 GLU H 1.800 . 2.500 2.437 2.437 2.437 . 0 0 "[ ]" 3
11 3 42 ARG O 3 46 LEU N 2.800 2.400 3.500 3.099 3.099 3.099 . 0 0 "[ ]" 3
12 3 42 ARG O 3 46 LEU H 1.800 . 2.500 2.379 2.379 2.379 . 0 0 "[ ]" 3
13 3 25 ALA N 3 34 ILE O 2.800 2.400 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 3
14 3 25 ALA H 3 34 ILE O 1.800 . 2.500 1.933 1.933 1.933 . 0 0 "[ ]" 3
15 3 25 ALA O 3 34 ILE N 2.800 2.400 3.500 2.508 2.508 2.508 . 0 0 "[ ]" 3
16 3 25 ALA O 3 34 ILE H 1.800 . 2.500 1.742 1.742 1.742 . 0 0 "[ ]" 3
17 3 27 CYS N 3 32 ALA O 2.800 2.400 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 3
18 3 27 CYS H 3 32 ALA O 1.800 . 2.500 1.944 1.944 1.944 . 0 0 "[ ]" 3
19 3 36 GLN O 3 40 LEU N 2.800 2.400 3.700 3.225 3.225 3.225 . 0 0 "[ ]" 3
20 3 36 GLN O 3 40 LEU H 1.800 . 2.700 2.370 2.370 2.370 . 0 0 "[ ]" 3
21 3 43 HIS O 3 47 ARG N 2.800 2.400 3.700 2.871 2.871 2.871 . 0 0 "[ ]" 3
22 3 43 HIS O 3 47 ARG H 1.800 . 2.700 1.910 1.910 1.910 . 0 0 "[ ]" 3
23 3 44 LEU O 3 49 PHE N 2.800 2.400 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 3
24 3 44 LEU O 3 49 PHE H 1.800 . 2.500 1.776 1.776 1.776 . 0 0 "[ ]" 3
25 1 1 DG N1 2 11 DC N3 2.950 2.750 3.150 2.971 2.971 2.971 . 0 0 "[ ]" 3
26 1 1 DG H1 2 11 DC N3 1.950 . 2.150 1.962 1.962 1.962 . 0 0 "[ ]" 3
27 1 1 DG O6 2 11 DC N4 2.910 2.710 3.110 2.933 2.933 2.933 . 0 0 "[ ]" 3
28 1 1 DG N2 2 11 DC O2 2.860 2.660 3.060 2.892 2.892 2.892 . 0 0 "[ ]" 3
29 1 2 DC N3 2 10 DG N1 2.950 2.750 3.150 2.923 2.923 2.923 . 0 0 "[ ]" 3
30 1 2 DC N3 2 10 DG H1 1.950 . 2.150 1.941 1.941 1.941 . 0 0 "[ ]" 3
31 1 2 DC N4 2 10 DG O6 2.910 2.710 3.110 2.785 2.785 2.785 . 0 0 "[ ]" 3
32 1 2 DC O2 2 10 DG N2 2.860 2.660 3.060 2.957 2.957 2.957 . 0 0 "[ ]" 3
33 1 3 DC N3 2 9 DG N1 2.950 2.750 3.150 2.921 2.921 2.921 . 0 0 "[ ]" 3
34 1 3 DC N3 2 9 DG H1 1.950 . 2.150 1.949 1.949 1.949 . 0 0 "[ ]" 3
35 1 3 DC N4 2 9 DG O6 2.910 2.710 3.110 3.096 3.096 3.096 . 0 0 "[ ]" 3
36 1 3 DC O2 2 9 DG N2 2.860 2.660 3.060 2.683 2.683 2.683 . 0 0 "[ ]" 3
37 1 4 DG N1 2 8 DC N3 2.950 2.750 3.150 2.920 2.920 2.920 . 0 0 "[ ]" 3
38 1 4 DG H1 2 8 DC N3 1.950 . 2.150 1.977 1.977 1.977 . 0 0 "[ ]" 3
39 1 4 DG O6 2 8 DC N4 2.910 2.710 3.110 3.040 3.040 3.040 . 0 0 "[ ]" 3
40 1 4 DG N2 2 8 DC O2 2.860 2.660 3.060 2.698 2.698 2.698 . 0 0 "[ ]" 3
41 1 6 DG N1 2 6 DC N3 2.950 2.750 3.150 2.882 2.882 2.882 . 0 0 "[ ]" 3
42 1 6 DG H1 2 6 DC N3 1.950 . 2.150 1.882 1.882 1.882 . 0 0 "[ ]" 3
43 1 6 DG O6 2 6 DC N4 2.910 2.710 3.110 3.168 3.168 3.168 0.058 1 0 "[ ]" 3
44 1 6 DG N2 2 6 DC O2 2.860 2.660 3.060 2.618 2.618 2.618 0.042 1 0 "[ ]" 3
45 1 8 DG N1 2 4 DC N3 2.950 2.750 3.350 2.883 2.883 2.883 . 0 0 "[ ]" 3
46 1 8 DG H1 2 4 DC N3 1.950 . 2.350 1.939 1.939 1.939 . 0 0 "[ ]" 3
47 1 8 DG O6 2 4 DC N4 2.910 2.710 3.310 2.736 2.736 2.736 . 0 0 "[ ]" 3
48 1 8 DG N2 2 4 DC O2 2.860 2.660 3.260 2.986 2.986 2.986 . 0 0 "[ ]" 3
49 1 11 DC N3 2 1 DG N1 2.950 2.750 3.150 2.939 2.939 2.939 . 0 0 "[ ]" 3
50 1 11 DC N3 2 1 DG H1 1.950 . 2.150 1.950 1.950 1.950 . 0 0 "[ ]" 3
51 1 11 DC N4 2 1 DG O6 2.910 2.710 3.110 3.041 3.041 3.041 . 0 0 "[ ]" 3
52 1 11 DC O2 2 1 DG N2 2.860 2.660 3.060 2.711 2.711 2.711 . 0 0 "[ ]" 3
53 1 5 DA N1 2 7 DT N3 2.820 2.620 3.020 2.892 2.892 2.892 . 0 0 "[ ]" 3
54 1 5 DA N1 2 7 DT H3 1.820 . 2.020 1.909 1.909 1.909 . 0 0 "[ ]" 3
55 1 5 DA N6 2 7 DT O4 2.950 2.750 3.150 3.093 3.093 3.093 . 0 0 "[ ]" 3
56 1 7 DA N1 2 5 DT N3 2.820 2.620 3.020 2.868 2.868 2.868 . 0 0 "[ ]" 3
57 1 7 DA N1 2 5 DT H3 1.820 . 2.020 1.875 1.875 1.875 . 0 0 "[ ]" 3
58 1 7 DA N6 2 5 DT O4 2.950 2.750 3.150 3.183 3.183 3.183 0.033 1 0 "[ ]" 3
59 1 9 DT N3 2 3 DA N1 2.820 2.620 3.020 2.982 2.982 2.982 . 0 0 "[ ]" 3
60 1 9 DT H3 2 3 DA N1 1.820 . 2.020 1.991 1.991 1.991 . 0 0 "[ ]" 3
61 1 9 DT O4 2 3 DA N6 2.950 2.750 3.150 2.998 2.998 2.998 . 0 0 "[ ]" 3
62 1 10 DA N1 2 2 DT N3 2.820 2.620 3.020 2.926 2.926 2.926 . 0 0 "[ ]" 3
63 1 10 DA N1 2 2 DT H3 1.820 . 2.020 1.924 1.924 1.924 . 0 0 "[ ]" 3
64 1 10 DA N6 2 2 DT O4 2.950 2.750 3.150 2.960 2.960 2.960 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 10
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.417
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0814
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0417
_Distance_constraint_stats_list.Viol_average_violations_only 0.1392
_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 4 DG 0.000 0.000 . 0 "[ ]"
1 5 DA 0.380 0.204 1 0 "[ ]"
1 6 DG 0.380 0.204 1 0 "[ ]"
1 7 DA 0.417 0.204 1 0 "[ ]"
1 8 DG 0.038 0.038 1 0 "[ ]"
1 9 DT 0.038 0.038 1 0 "[ ]"
2 3 DA 0.038 0.038 1 0 "[ ]"
2 4 DC 0.000 0.000 . 0 "[ ]"
2 5 DT 0.417 0.204 1 0 "[ ]"
2 6 DC 0.000 0.000 . 0 "[ ]"
2 7 DT 0.380 0.204 1 0 "[ ]"
2 8 DC 0.000 0.000 . 0 "[ ]"
2 9 DG 0.000 0.000 . 0 "[ ]"
3 5 ARG 0.000 0.000 . 0 "[ ]"
3 18 ARG 0.038 0.038 1 0 "[ ]"
3 38 ARG 0.380 0.204 1 0 "[ ]"
3 39 ASN 0.000 0.000 . 0 "[ ]"
3 42 ARG 0.000 0.000 . 0 "[ ]"
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 4 DG N7 3 42 ARG NH1 2.800 2.400 3.300 2.714 2.714 2.714 . 0 0 "[ ]" 4
2 1 4 DG N7 3 42 ARG NH2 2.800 2.400 3.300 2.744 2.744 2.744 . 0 0 "[ ]" 4
3 1 5 DA N7 3 38 ARG NH1 2.800 2.400 3.300 2.225 2.225 2.225 0.175 1 0 "[ ]" 4
4 1 5 DA N7 3 38 ARG NH2 2.800 2.400 3.300 3.504 3.504 3.504 0.204 1 0 "[ ]" 4
5 1 7 DA N7 3 18 ARG NH1 2.800 2.400 3.300 2.362 2.362 2.362 0.038 1 0 "[ ]" 4
6 1 7 DA N7 3 18 ARG NH2 2.800 2.400 3.300 3.083 3.083 3.083 . 0 0 "[ ]" 4
7 1 6 DG N3 3 5 ARG NH1 2.800 2.400 3.300 2.738 2.738 2.738 . 0 0 "[ ]" 4
8 1 6 DG N3 3 5 ARG NH2 2.800 2.400 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 4
9 1 4 DG N7 3 39 ASN ND2 2.800 2.400 3.300 3.244 3.244 3.244 . 0 0 "[ ]" 4
10 1 5 DA N6 3 39 ASN OD1 2.800 2.400 3.300 3.265 3.265 3.265 . 0 0 "[ ]" 4
stop_
save_
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