NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
481826 |
1hry   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hry
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 728
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 3.222
_Distance_constraint_stats_list.Viol_max 0.293
_Distance_constraint_stats_list.Viol_rms 0.0230
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0826
_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
3 4 ARG 0.000 0.000 . 0 "[ ]"
3 5 VAL 0.004 0.003 1 0 "[ ]"
3 6 LYS 0.099 0.060 1 0 "[ ]"
3 7 ARG 0.000 0.000 . 0 "[ ]"
3 8 PRO 0.000 0.000 . 0 "[ ]"
3 9 MET 0.014 0.014 1 0 "[ ]"
3 10 ASN 0.042 0.042 1 0 "[ ]"
3 11 ALA 0.042 0.042 1 0 "[ ]"
3 12 PHE 0.000 0.000 . 0 "[ ]"
3 13 ILE 0.014 0.014 1 0 "[ ]"
3 14 VAL 0.050 0.050 1 0 "[ ]"
3 15 TRP 0.000 0.000 . 0 "[ ]"
3 16 SER 0.076 0.076 1 0 "[ ]"
3 17 ARG 0.076 0.076 1 0 "[ ]"
3 18 ASP 0.000 0.000 . 0 "[ ]"
3 19 GLN 0.465 0.293 1 0 "[ ]"
3 20 ARG 0.064 0.058 1 0 "[ ]"
3 21 ARG 0.089 0.089 1 0 "[ ]"
3 22 LYS 0.526 0.293 1 0 "[ ]"
3 23 MET 0.068 0.068 1 0 "[ ]"
3 24 ALA 0.058 0.058 1 0 "[ ]"
3 25 LEU 0.101 0.101 1 0 "[ ]"
3 26 GLU 0.101 0.101 1 0 "[ ]"
3 27 ASN 0.133 0.133 1 0 "[ ]"
3 28 PRO 0.089 0.089 1 0 "[ ]"
3 29 ARG 0.000 0.000 . 0 "[ ]"
3 30 MET 0.000 0.000 . 0 "[ ]"
3 31 ARG 0.000 0.000 . 0 "[ ]"
3 33 SER 0.000 0.000 . 0 "[ ]"
3 34 GLU 0.200 0.133 1 0 "[ ]"
3 35 ILE 0.000 0.000 . 0 "[ ]"
3 36 SER 0.000 0.000 . 0 "[ ]"
3 37 LYS 0.000 0.000 . 0 "[ ]"
3 38 GLN 0.145 0.078 1 0 "[ ]"
3 39 LEU 0.536 0.168 1 0 "[ ]"
3 40 GLY 0.059 0.059 1 0 "[ ]"
3 41 TYR 0.089 0.089 1 0 "[ ]"
3 42 GLN 0.371 0.168 1 0 "[ ]"
3 43 TRP 0.539 0.143 1 0 "[ ]"
3 44 LYS 0.000 0.000 . 0 "[ ]"
3 45 MET 0.121 0.121 1 0 "[ ]"
3 46 LEU 0.336 0.130 1 0 "[ ]"
3 47 THR 0.138 0.138 1 0 "[ ]"
3 48 GLU 0.095 0.095 1 0 "[ ]"
3 49 ALA 0.207 0.207 1 0 "[ ]"
3 50 GLU 0.207 0.207 1 0 "[ ]"
3 51 LYS 0.036 0.036 1 0 "[ ]"
3 52 TRP 0.131 0.095 1 0 "[ ]"
3 53 PRO 0.050 0.050 1 0 "[ ]"
3 54 PHE 0.000 0.000 . 0 "[ ]"
3 55 PHE 0.065 0.065 1 0 "[ ]"
3 56 GLN 0.069 0.069 1 0 "[ ]"
3 57 GLU 0.193 0.069 1 0 "[ ]"
3 58 ALA 0.000 0.000 . 0 "[ ]"
3 59 GLN 0.000 0.000 . 0 "[ ]"
3 60 LYS 0.000 0.000 . 0 "[ ]"
3 61 LEU 0.039 0.039 1 0 "[ ]"
3 62 GLN 0.103 0.064 1 0 "[ ]"
3 63 ALA 0.064 0.064 1 0 "[ ]"
3 64 MET 0.105 0.058 1 0 "[ ]"
3 65 HIS 0.047 0.047 1 0 "[ ]"
3 66 ARG 0.000 0.000 . 0 "[ ]"
3 67 GLU 0.000 0.000 . 0 "[ ]"
3 68 LYS 0.000 0.000 . 0 "[ ]"
3 69 TYR 0.000 0.000 . 0 "[ ]"
3 70 PRO 0.000 0.000 . 0 "[ ]"
3 71 ASN 0.144 0.144 1 0 "[ ]"
3 72 TYR 0.147 0.144 1 0 "[ ]"
3 73 LYS 0.000 0.000 . 0 "[ ]"
3 74 TYR 0.000 0.000 . 0 "[ ]"
3 75 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 3 4 ARG HA 3 4 ARG QG 2.800 . 3.300 2.466 2.466 2.466 . 0 0 "[ ]" 1
2 3 5 VAL HA 3 5 VAL MG1 2.800 . 4.300 2.330 2.330 2.330 . 0 0 "[ ]" 1
3 3 5 VAL HA 3 5 VAL MG2 2.800 . 4.300 2.359 2.359 2.359 . 0 0 "[ ]" 1
4 3 5 VAL H 3 5 VAL HB 2.400 . 2.900 2.510 2.510 2.510 . 0 0 "[ ]" 1
5 3 6 LYS HA 3 6 LYS QD 4.500 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
6 3 6 LYS HA 3 6 LYS QE 4.500 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
7 3 6 LYS H 3 6 LYS QB 2.400 . 2.900 2.938 2.938 2.938 0.038 1 0 "[ ]" 1
8 3 6 LYS H 3 6 LYS QG 4.500 . 5.000 1.640 1.640 1.640 0.060 1 0 "[ ]" 1
9 3 8 PRO QB 3 8 PRO QD 2.800 . 3.300 3.028 3.028 3.028 . 0 0 "[ ]" 1
10 3 9 MET H 3 9 MET QG 3.500 . 4.000 1.919 1.919 1.919 . 0 0 "[ ]" 1
11 3 13 ILE H 3 13 ILE QG 4.500 . 5.000 2.592 2.592 2.592 . 0 0 "[ ]" 1
12 3 14 VAL HA 3 14 VAL MG2 3.000 . 4.000 2.276 2.276 2.276 . 0 0 "[ ]" 1
13 3 14 VAL HA 3 14 VAL MG1 3.000 . 4.000 2.487 2.487 2.487 . 0 0 "[ ]" 1
14 3 14 VAL H 3 14 VAL HB 2.400 . 2.900 2.532 2.532 2.532 . 0 0 "[ ]" 1
15 3 15 TRP H 3 15 TRP QB 2.400 . 2.900 2.386 2.386 2.386 . 0 0 "[ ]" 1
16 3 15 TRP HA 3 15 TRP HE1 5.500 . 6.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
17 3 16 SER H 3 16 SER QB 2.400 . 2.900 2.228 2.228 2.228 . 0 0 "[ ]" 1
18 3 17 ARG H 3 17 ARG QB 2.400 . 2.900 2.677 2.677 2.677 . 0 0 "[ ]" 1
19 3 17 ARG H 3 17 ARG QD 4.500 . 5.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
20 3 17 ARG QB 3 17 ARG QD 2.800 . 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 1
21 3 17 ARG H 3 17 ARG QG 3.000 . 3.500 1.752 1.752 1.752 . 0 0 "[ ]" 1
22 3 18 ASP H 3 18 ASP QB 2.400 . 2.900 2.506 2.506 2.506 . 0 0 "[ ]" 1
23 3 19 GLN H 3 19 GLN QG 4.500 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
24 3 20 ARG H 3 20 ARG QB 2.400 . 2.900 2.043 2.043 2.043 . 0 0 "[ ]" 1
25 3 20 ARG H 3 20 ARG QG 4.500 . 5.000 3.872 3.872 3.872 . 0 0 "[ ]" 1
26 3 21 ARG H 3 21 ARG QB 2.400 . 2.900 2.292 2.292 2.292 . 0 0 "[ ]" 1
27 3 22 LYS H 3 22 LYS QB 2.400 . 2.900 2.225 2.225 2.225 . 0 0 "[ ]" 1
28 3 22 LYS QB 3 22 LYS QD 3.000 . 3.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
29 3 22 LYS H 3 22 LYS QD 4.500 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
30 3 22 LYS H 3 22 LYS QG 4.500 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
31 3 23 MET HA 3 23 MET ME 3.000 . 4.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
32 3 23 MET H 3 23 MET QB 2.400 . 2.900 2.232 2.232 2.232 . 0 0 "[ ]" 1
33 3 25 LEU HA 3 25 LEU QD 3.000 . 3.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
34 3 25 LEU H 3 25 LEU QB 2.400 . 2.900 2.427 2.427 2.427 . 0 0 "[ ]" 1
35 3 26 GLU H 3 26 GLU QB 2.400 . 2.900 2.308 2.308 2.308 . 0 0 "[ ]" 1
36 3 26 GLU HA 3 26 GLU QG 2.800 . 3.300 2.299 2.299 2.299 . 0 0 "[ ]" 1
37 3 26 GLU H 3 26 GLU QG 4.500 . 5.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
38 3 27 ASN H 3 27 ASN QB 2.400 . 2.900 2.618 2.618 2.618 . 0 0 "[ ]" 1
39 3 28 PRO HA 3 28 PRO QG 2.800 . 3.800 3.525 3.525 3.525 . 0 0 "[ ]" 1
40 3 29 ARG HA 3 29 ARG QG 3.000 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
41 3 29 ARG H 3 29 ARG QB 2.400 . 2.900 2.588 2.588 2.588 . 0 0 "[ ]" 1
42 3 29 ARG HA 3 29 ARG QD 4.500 2.400 5.000 4.038 4.038 4.038 . 0 0 "[ ]" 1
43 3 30 MET H 3 30 MET QB 2.400 . 2.900 2.503 2.503 2.503 . 0 0 "[ ]" 1
44 3 30 MET H 3 30 MET QG 2.400 . 2.900 2.394 2.394 2.394 . 0 0 "[ ]" 1
45 3 31 ARG HA 3 31 ARG QD 2.800 . 3.300 2.216 2.216 2.216 . 0 0 "[ ]" 1
46 3 31 ARG HA 3 31 ARG QG 2.200 . 2.700 2.683 2.683 2.683 . 0 0 "[ ]" 1
47 3 34 GLU HA 3 34 GLU QG 2.200 . 2.700 2.328 2.328 2.328 . 0 0 "[ ]" 1
48 3 34 GLU H 3 34 GLU QB 2.400 . 2.900 2.460 2.460 2.460 . 0 0 "[ ]" 1
49 3 35 ILE H 3 35 ILE MG 2.400 . 3.400 1.867 1.867 1.867 . 0 0 "[ ]" 1
50 3 36 SER H 3 36 SER QB 3.000 . 3.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
51 3 37 LYS H 3 37 LYS QD 2.400 . 2.900 1.633 1.633 1.633 . 0 0 "[ ]" 1
52 3 37 LYS QB 3 37 LYS QD 2.800 . 3.300 2.255 2.255 2.255 . 0 0 "[ ]" 1
53 3 37 LYS H 3 37 LYS QG 4.500 . 5.000 3.206 3.206 3.206 . 0 0 "[ ]" 1
54 3 38 GLN H 3 38 GLN QB 2.400 . 2.900 2.362 2.362 2.362 . 0 0 "[ ]" 1
55 3 38 GLN H 3 38 GLN QG 4.500 . 5.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
56 3 39 LEU HA 3 39 LEU MD1 4.500 . 5.500 3.831 3.831 3.831 . 0 0 "[ ]" 1
57 3 39 LEU HA 3 39 LEU MD2 2.800 . 3.300 2.206 2.206 2.206 . 0 0 "[ ]" 1
58 3 39 LEU H 3 39 LEU HG 4.500 . 5.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
59 3 41 TYR HA 3 41 TYR QD 2.800 . 3.300 2.951 2.951 2.951 . 0 0 "[ ]" 1
60 3 41 TYR HA 3 41 TYR QE 5.500 . 6.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
61 3 41 TYR H 3 41 TYR QB 2.400 . 2.900 2.249 2.249 2.249 . 0 0 "[ ]" 1
62 3 42 GLN H 3 42 GLN QB 2.400 . 2.900 2.271 2.271 2.271 . 0 0 "[ ]" 1
63 3 42 GLN H 3 42 GLN QG 4.500 . 5.000 2.600 2.600 2.600 . 0 0 "[ ]" 1
64 3 42 GLN HA 3 42 GLN QE 5.500 . 6.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
65 3 43 TRP H 3 43 TRP QB 2.400 . 2.900 2.467 2.467 2.467 . 0 0 "[ ]" 1
66 3 43 TRP QB 3 43 TRP HZ2 5.500 . 6.000 5.788 5.788 5.788 . 0 0 "[ ]" 1
67 3 43 TRP QB 3 43 TRP HE1 4.500 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
68 3 44 LYS H 3 44 LYS QB 2.400 . 2.900 2.405 2.405 2.405 . 0 0 "[ ]" 1
69 3 44 LYS H 3 44 LYS QD 2.400 . 2.900 2.439 2.439 2.439 . 0 0 "[ ]" 1
70 3 44 LYS QE 3 44 LYS QG 3.000 . 3.500 2.155 2.155 2.155 . 0 0 "[ ]" 1
71 3 44 LYS H 3 44 LYS QG 4.500 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
72 3 45 MET HA 3 45 MET ME 5.500 . 6.500 4.526 4.526 4.526 . 0 0 "[ ]" 1
73 3 45 MET H 3 45 MET QB 2.400 . 2.900 2.810 2.810 2.810 . 0 0 "[ ]" 1
74 3 45 MET H 3 45 MET QG 4.500 . 5.000 3.684 3.684 3.684 . 0 0 "[ ]" 1
75 3 46 LEU HA 3 46 LEU MD1 4.500 . 5.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
76 3 46 LEU HA 3 46 LEU MD2 2.800 . 3.800 2.260 2.260 2.260 . 0 0 "[ ]" 1
77 3 46 LEU H 3 46 LEU HG 2.400 . 2.900 2.329 2.329 2.329 . 0 0 "[ ]" 1
78 3 46 LEU H 3 46 LEU QB 2.800 . 3.300 2.379 2.379 2.379 . 0 0 "[ ]" 1
79 3 46 LEU H 3 46 LEU MD1 4.500 . 5.500 3.165 3.165 3.165 . 0 0 "[ ]" 1
80 3 46 LEU H 3 46 LEU MD2 2.800 . 3.800 3.772 3.772 3.772 . 0 0 "[ ]" 1
81 3 47 THR HA 3 47 THR MG 3.000 . 3.500 2.334 2.334 2.334 . 0 0 "[ ]" 1
82 3 48 GLU H 3 48 GLU QB 2.400 . 2.900 2.577 2.577 2.577 . 0 0 "[ ]" 1
83 3 48 GLU H 3 48 GLU QG 4.500 . 5.000 1.865 1.865 1.865 . 0 0 "[ ]" 1
84 3 50 GLU H 3 51 LYS H 2.200 . 2.700 2.194 2.194 2.194 . 0 0 "[ ]" 1
85 3 50 GLU H 3 50 GLU QB 2.400 . 2.900 2.260 2.260 2.260 . 0 0 "[ ]" 1
86 3 51 LYS H 3 52 TRP H . . 3.500 3.161 3.161 3.161 . 0 0 "[ ]" 1
87 3 51 LYS H 3 51 LYS QB 2.400 . 2.900 2.478 2.478 2.478 . 0 0 "[ ]" 1
88 3 51 LYS QB 3 51 LYS QD 2.800 . 3.300 2.179 2.179 2.179 . 0 0 "[ ]" 1
89 3 52 TRP HA 3 52 TRP HD1 4.500 . 5.000 2.387 2.387 2.387 . 0 0 "[ ]" 1
90 3 52 TRP H 3 52 TRP QB 2.400 . 2.900 2.325 2.325 2.325 . 0 0 "[ ]" 1
91 3 52 TRP HA 3 52 TRP HE1 5.500 . 6.000 4.723 4.723 4.723 . 0 0 "[ ]" 1
92 3 54 PHE H 3 54 PHE QB 3.000 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
93 3 55 PHE H 3 55 PHE QB 2.800 . 3.300 2.269 2.269 2.269 . 0 0 "[ ]" 1
94 3 56 GLN H 3 56 GLN QB 2.800 . 3.300 2.322 2.322 2.322 . 0 0 "[ ]" 1
95 3 56 GLN H 3 56 GLN QG 3.500 . 4.000 2.662 2.662 2.662 . 0 0 "[ ]" 1
96 3 57 GLU H 3 57 GLU QB 2.400 . 2.900 2.236 2.236 2.236 . 0 0 "[ ]" 1
97 3 57 GLU H 3 57 GLU QG 4.500 . 5.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
98 3 59 GLN H 3 59 GLN QB 2.400 . 2.900 2.349 2.349 2.349 . 0 0 "[ ]" 1
99 3 59 GLN H 3 59 GLN QG 4.500 . 5.000 2.473 2.473 2.473 . 0 0 "[ ]" 1
100 3 60 LYS H 3 60 LYS QB 2.400 . 2.900 2.624 2.624 2.624 . 0 0 "[ ]" 1
101 3 60 LYS QB 3 60 LYS QD 3.000 . 3.500 2.118 2.118 2.118 . 0 0 "[ ]" 1
102 3 60 LYS H 3 60 LYS QG 2.400 . 2.900 2.023 2.023 2.023 . 0 0 "[ ]" 1
103 3 61 LEU HA 3 61 LEU QD 3.000 . 3.500 1.983 1.983 1.983 . 0 0 "[ ]" 1
104 3 61 LEU H 3 61 LEU HG 4.500 . 5.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
105 3 61 LEU H 3 61 LEU QB 2.400 . 2.900 2.394 2.394 2.394 . 0 0 "[ ]" 1
106 3 62 GLN H 3 62 GLN QB 2.400 . 2.900 2.032 2.032 2.032 . 0 0 "[ ]" 1
107 3 62 GLN H 3 62 GLN QG 4.500 . 5.000 3.220 3.220 3.220 . 0 0 "[ ]" 1
108 3 64 MET H 3 64 MET QB 2.400 . 2.900 2.508 2.508 2.508 . 0 0 "[ ]" 1
109 3 64 MET QB 3 64 MET ME 2.800 . 3.800 3.074 3.074 3.074 . 0 0 "[ ]" 1
110 3 64 MET H 3 64 MET QG 3.000 . 3.500 2.076 2.076 2.076 . 0 0 "[ ]" 1
111 3 65 HIS HA 3 65 HIS HE1 5.500 . 6.000 5.884 5.884 5.884 . 0 0 "[ ]" 1
112 3 65 HIS H 3 65 HIS QB 2.400 . 2.900 2.629 2.629 2.629 . 0 0 "[ ]" 1
113 3 66 ARG H 3 66 ARG QB 2.400 . 2.900 2.257 2.257 2.257 . 0 0 "[ ]" 1
114 3 66 ARG H 3 66 ARG QD 5.500 2.700 6.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
115 3 67 GLU H 3 67 GLU QB 2.400 . 2.900 2.388 2.388 2.388 . 0 0 "[ ]" 1
116 3 67 GLU H 3 67 GLU QG 2.400 . 2.900 2.124 2.124 2.124 . 0 0 "[ ]" 1
117 3 68 LYS H 3 68 LYS QB 2.400 . 2.900 2.315 2.315 2.315 . 0 0 "[ ]" 1
118 3 69 TYR H 3 69 TYR QB 2.400 . 2.900 2.534 2.534 2.534 . 0 0 "[ ]" 1
119 3 73 LYS HA 3 73 LYS QE 5.500 . 6.000 4.901 4.901 4.901 . 0 0 "[ ]" 1
120 3 75 ARG H 3 75 ARG QG 4.500 . 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
121 3 4 ARG HA 3 5 VAL H 2.400 . 2.900 2.159 2.159 2.159 . 0 0 "[ ]" 1
122 3 4 ARG HA 3 5 VAL MG2 4.500 . 5.500 3.513 3.513 3.513 . 0 0 "[ ]" 1
123 3 4 ARG QG 3 5 VAL H 4.500 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
124 3 5 VAL HA 3 6 LYS H 2.800 . 3.300 2.369 2.369 2.369 . 0 0 "[ ]" 1
125 3 5 VAL HA 3 6 LYS QG 4.500 . 5.000 3.437 3.437 3.437 . 0 0 "[ ]" 1
126 3 5 VAL MG1 3 6 LYS H 4.500 . 5.500 1.799 1.799 1.799 0.001 1 0 "[ ]" 1
127 3 5 VAL MG2 3 6 LYS H 4.500 . 5.500 3.966 3.966 3.966 . 0 0 "[ ]" 1
128 3 5 VAL MG1 3 6 LYS QG 5.500 . 6.500 2.321 2.321 2.321 . 0 0 "[ ]" 1
129 3 5 VAL MG2 3 6 LYS QG 5.500 . 6.500 4.546 4.546 4.546 . 0 0 "[ ]" 1
130 3 6 LYS HA 3 7 ARG H 2.800 . 3.300 2.339 2.339 2.339 . 0 0 "[ ]" 1
131 3 6 LYS QE 3 7 ARG QB 5.500 2.700 6.000 5.843 5.843 5.843 . 0 0 "[ ]" 1
132 3 7 ARG HA 3 8 PRO QD 4.500 . 5.000 2.040 2.040 2.040 . 0 0 "[ ]" 1
133 3 8 PRO HA 3 9 MET H 2.400 . 2.900 2.663 2.663 2.663 . 0 0 "[ ]" 1
134 3 8 PRO QB 3 9 MET HA 4.500 . 5.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
135 3 8 PRO QB 3 9 MET H 2.400 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 1
136 3 8 PRO QB 3 9 MET QG 4.500 . 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
137 3 8 PRO QG 3 9 MET H 4.500 . 5.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
138 3 10 ASN QB 3 11 ALA H 2.400 . 2.900 2.942 2.942 2.942 0.042 1 0 "[ ]" 1
139 3 10 ASN QB 3 11 ALA MB 4.500 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
140 3 11 ALA H 3 12 PHE H 4.500 . 5.000 2.853 2.853 2.853 . 0 0 "[ ]" 1
141 3 12 PHE H 3 13 ILE H 2.400 . 2.900 2.656 2.656 2.656 . 0 0 "[ ]" 1
142 3 12 PHE QB 3 13 ILE HB 4.500 . 5.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
143 3 12 PHE QD 3 13 ILE HB 4.500 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
144 3 12 PHE QD 3 13 ILE H 4.500 . 5.000 2.910 2.910 2.910 . 0 0 "[ ]" 1
145 3 12 PHE QD 3 13 ILE MG 5.500 . 6.000 4.781 4.781 4.781 . 0 0 "[ ]" 1
146 3 54 PHE QE 3 55 PHE QE 5.500 . 6.000 2.918 2.918 2.918 . 0 0 "[ ]" 1
147 3 13 ILE HB 3 14 VAL MG1 5.500 . 6.500 6.151 6.151 6.151 . 0 0 "[ ]" 1
148 3 13 ILE H 3 14 VAL H 3.000 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
149 3 13 ILE MD 3 14 VAL H 4.500 . 5.500 5.067 5.067 5.067 . 0 0 "[ ]" 1
150 3 13 ILE QG 3 14 VAL H 4.500 . 5.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
151 3 13 ILE QG 3 14 VAL MG2 6.500 . 7.500 5.522 5.522 5.522 . 0 0 "[ ]" 1
152 3 13 ILE MG 3 14 VAL HA 4.500 . 5.500 3.532 3.532 3.532 . 0 0 "[ ]" 1
153 3 13 ILE MG 3 14 VAL MG1 5.500 . 6.500 5.072 5.072 5.072 . 0 0 "[ ]" 1
154 3 13 ILE MG 3 14 VAL MG2 5.500 . 6.500 3.989 3.989 3.989 . 0 0 "[ ]" 1
155 3 14 VAL HA 3 15 TRP H 4.500 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
156 3 14 VAL HB 3 15 TRP H 3.000 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
157 3 14 VAL H 3 15 TRP H 2.800 . 3.300 2.875 2.875 2.875 . 0 0 "[ ]" 1
158 3 14 VAL MG2 3 15 TRP HA 4.500 . 5.500 5.458 5.458 5.458 . 0 0 "[ ]" 1
159 3 14 VAL MG2 3 15 TRP H 4.500 . 5.500 3.864 3.864 3.864 . 0 0 "[ ]" 1
160 3 14 VAL MG1 3 15 TRP HE1 4.500 . 5.500 5.269 5.269 5.269 . 0 0 "[ ]" 1
161 3 15 TRP HA 3 16 SER H 4.500 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 1
162 3 15 TRP H 3 16 SER H 3.000 . 3.500 2.849 2.849 2.849 . 0 0 "[ ]" 1
163 3 16 SER HA 3 17 ARG H 3.000 . 3.500 3.576 3.576 3.576 0.076 1 0 "[ ]" 1
164 3 16 SER H 3 17 ARG H 3.000 . 3.500 3.163 3.163 3.163 . 0 0 "[ ]" 1
165 3 16 SER QB 3 17 ARG H 4.500 . 5.000 2.188 2.188 2.188 . 0 0 "[ ]" 1
166 3 17 ARG HA 3 18 ASP H 4.500 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
167 3 17 ARG H 3 18 ASP H 3.000 . 3.500 3.441 3.441 3.441 . 0 0 "[ ]" 1
168 3 17 ARG QB 3 18 ASP H 2.800 . 3.300 1.801 1.801 1.801 . 0 0 "[ ]" 1
169 3 18 ASP HA 3 19 GLN H 4.500 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
170 3 18 ASP H 3 19 GLN H 2.400 . 2.900 2.778 2.778 2.778 . 0 0 "[ ]" 1
171 3 18 ASP QB 3 19 GLN H 3.000 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
172 3 19 GLN HA 3 20 ARG H 4.500 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
173 3 19 GLN H 3 20 ARG H 2.400 . 2.900 2.906 2.906 2.906 0.006 1 0 "[ ]" 1
174 3 19 GLN QB 3 20 ARG H 4.500 . 5.000 2.174 2.174 2.174 . 0 0 "[ ]" 1
175 3 19 GLN QB 3 20 ARG QB 5.500 . 6.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
176 3 19 GLN QG 3 20 ARG H 4.500 . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
177 3 19 GLN QG 3 20 ARG QB 5.500 . 6.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
178 3 20 ARG HA 3 21 ARG H 4.500 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
179 3 20 ARG H 3 21 ARG H 2.400 . 2.900 2.792 2.792 2.792 . 0 0 "[ ]" 1
180 3 20 ARG QB 3 21 ARG H 3.000 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
181 3 21 ARG H 3 22 LYS H 2.400 . 2.900 2.746 2.746 2.746 . 0 0 "[ ]" 1
182 3 21 ARG QB 3 22 LYS HA 4.500 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
183 3 21 ARG QB 3 22 LYS H 2.400 . 2.900 2.804 2.804 2.804 . 0 0 "[ ]" 1
184 3 22 LYS HA 3 23 MET H 3.000 . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
185 3 22 LYS H 3 23 MET H 2.400 . 2.900 2.694 2.694 2.694 . 0 0 "[ ]" 1
186 3 22 LYS QB 3 23 MET H 2.800 . 3.300 2.367 2.367 2.367 . 0 0 "[ ]" 1
187 3 22 LYS QB 3 23 MET ME 5.500 . 6.500 6.457 6.457 6.457 . 0 0 "[ ]" 1
188 3 22 LYS QE 3 23 MET QG 5.500 . 6.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
189 3 22 LYS QG 3 23 MET H 4.500 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
190 3 22 LYS QG 3 23 MET QB 4.500 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
191 3 23 MET HA 3 24 ALA HA 4.500 . 5.000 4.760 4.760 4.760 . 0 0 "[ ]" 1
192 3 23 MET HA 3 24 ALA MB 5.500 . 6.500 5.013 5.013 5.013 . 0 0 "[ ]" 1
193 3 23 MET QB 3 24 ALA H 2.400 . 2.900 2.784 2.784 2.784 . 0 0 "[ ]" 1
194 3 24 ALA HA 3 25 LEU QD 4.500 . 6.000 5.258 5.258 5.258 . 0 0 "[ ]" 1
195 3 24 ALA H 3 25 LEU H 2.400 . 2.900 2.597 2.597 2.597 . 0 0 "[ ]" 1
196 3 24 ALA H 3 25 LEU QD 4.500 . 6.000 4.611 4.611 4.611 . 0 0 "[ ]" 1
197 3 24 ALA MB 3 25 LEU HA 4.500 . 5.500 3.865 3.865 3.865 . 0 0 "[ ]" 1
198 3 24 ALA MB 3 25 LEU QD 2.800 . 4.800 3.640 3.640 3.640 . 0 0 "[ ]" 1
199 3 25 LEU HG 3 26 GLU QB 5.500 . 6.000 6.101 6.101 6.101 0.101 1 0 "[ ]" 1
200 3 25 LEU HG 3 26 GLU QG 6.500 . 7.000 5.371 5.371 5.371 . 0 0 "[ ]" 1
201 3 25 LEU QD 3 26 GLU QB 4.500 . 6.000 4.907 4.907 4.907 . 0 0 "[ ]" 1
202 3 26 GLU HA 3 27 ASN H 3.000 . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
203 3 26 GLU QG 3 27 ASN QB 5.500 . 6.000 5.692 5.692 5.692 . 0 0 "[ ]" 1
204 3 27 ASN HA 3 28 PRO QD 4.500 . 5.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
205 3 27 ASN HA 3 28 PRO QG 4.500 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
206 3 27 ASN H 3 28 PRO QD 3.000 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
207 3 28 PRO QD 3 29 ARG H 4.500 . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
208 3 28 PRO QG 3 29 ARG QB 4.500 . 5.000 4.614 4.614 4.614 . 0 0 "[ ]" 1
209 3 29 ARG HA 3 30 MET H 2.400 . 2.900 2.586 2.586 2.586 . 0 0 "[ ]" 1
210 3 29 ARG QB 3 30 MET H 4.500 . 5.000 3.895 3.895 3.895 . 0 0 "[ ]" 1
211 3 29 ARG QB 3 30 MET QB 5.500 . 6.000 5.358 5.358 5.358 . 0 0 "[ ]" 1
212 3 29 ARG QB 3 30 MET QG 5.500 . 6.000 5.136 5.136 5.136 . 0 0 "[ ]" 1
213 3 29 ARG QG 3 30 MET H 4.500 . 5.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
214 3 30 MET HA 3 31 ARG H 3.000 . 3.500 2.147 2.147 2.147 . 0 0 "[ ]" 1
215 3 30 MET HA 3 31 ARG QB 4.500 . 5.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
216 3 30 MET HA 3 31 ARG QG 5.500 . 6.000 5.244 5.244 5.244 . 0 0 "[ ]" 1
217 3 30 MET H 3 31 ARG H 4.500 . 5.000 4.507 4.507 4.507 . 0 0 "[ ]" 1
218 3 30 MET QB 3 31 ARG H 3.000 . 3.500 3.236 3.236 3.236 . 0 0 "[ ]" 1
219 3 30 MET ME 3 31 ARG QB 4.500 . 5.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
220 3 30 MET QG 3 31 ARG H 4.500 . 5.000 4.713 4.713 4.713 . 0 0 "[ ]" 1
221 3 30 MET QG 3 31 ARG QB 6.500 2.700 7.000 6.141 6.141 6.141 . 0 0 "[ ]" 1
222 3 34 GLU HA 3 35 ILE H 4.500 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
223 3 34 GLU H 3 35 ILE H 2.400 . 2.900 2.485 2.485 2.485 . 0 0 "[ ]" 1
224 3 34 GLU QG 3 35 ILE MG 4.500 . 5.500 4.657 4.657 4.657 . 0 0 "[ ]" 1
225 3 35 ILE HA 3 36 SER H 4.500 . 5.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
226 3 35 ILE H 3 36 SER HA 5.500 . 6.000 5.365 5.365 5.365 . 0 0 "[ ]" 1
227 3 35 ILE H 3 36 SER H 4.500 . 5.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
228 3 35 ILE MD 3 36 SER H 4.500 . 5.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
229 3 35 ILE MG 3 36 SER H 3.000 . 4.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
230 3 36 SER H 3 37 LYS H 3.000 . 3.500 2.714 2.714 2.714 . 0 0 "[ ]" 1
231 3 36 SER H 3 37 LYS QD 4.500 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
232 3 36 SER QB 3 37 LYS H 2.400 . 2.900 2.151 2.151 2.151 . 0 0 "[ ]" 1
233 3 36 SER QB 3 37 LYS QB 4.500 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
234 3 36 SER QB 3 37 LYS QD 4.500 . 5.000 2.113 2.113 2.113 . 0 0 "[ ]" 1
235 3 36 SER QB 3 37 LYS QG 4.500 . 5.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
236 3 37 LYS HA 3 38 GLN H 4.500 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
237 3 37 LYS H 3 38 GLN H 2.400 . 2.900 2.589 2.589 2.589 . 0 0 "[ ]" 1
238 3 37 LYS H 3 38 GLN QB 4.500 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
239 3 37 LYS QB 3 38 GLN H 3.000 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
240 3 37 LYS QD 3 38 GLN H 4.500 . 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
241 3 38 GLN HA 3 39 LEU H 3.000 . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1
242 3 38 GLN HA 3 39 LEU QB 5.500 . 6.000 5.400 5.400 5.400 . 0 0 "[ ]" 1
243 3 38 GLN H 3 39 LEU H 2.400 . 2.900 2.734 2.734 2.734 . 0 0 "[ ]" 1
244 3 38 GLN QB 3 39 LEU H 3.000 . 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 1
245 3 38 GLN QB 3 39 LEU QD 4.500 . 6.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
246 3 38 GLN QG 3 39 LEU QB 5.500 . 6.000 5.901 5.901 5.901 . 0 0 "[ ]" 1
247 3 39 LEU H 3 40 GLY H 2.400 . 2.900 2.676 2.676 2.676 . 0 0 "[ ]" 1
248 3 39 LEU QB 3 40 GLY HA3 4.500 . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
249 3 39 LEU QB 3 40 GLY H 4.500 . 5.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
250 3 40 GLY HA3 3 41 TYR H 4.500 . 5.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
251 3 40 GLY HA2 3 41 TYR QB 5.500 . 6.000 5.244 5.244 5.244 . 0 0 "[ ]" 1
252 3 41 TYR HA 3 42 GLN H 4.500 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
253 3 41 TYR H 3 42 GLN H 2.400 . 2.900 2.692 2.692 2.692 . 0 0 "[ ]" 1
254 3 41 TYR H 3 42 GLN QG 5.500 . 6.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
255 3 41 TYR QB 3 42 GLN H 2.400 . 2.900 2.693 2.693 2.693 . 0 0 "[ ]" 1
256 3 41 TYR QD 3 42 GLN QB 4.500 . 5.000 4.115 4.115 4.115 . 0 0 "[ ]" 1
257 3 41 TYR QD 3 42 GLN QG 4.500 . 5.000 2.442 2.442 2.442 . 0 0 "[ ]" 1
258 3 42 GLN HA 3 43 TRP H 4.500 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
259 3 42 GLN H 3 43 TRP H 3.000 . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
260 3 42 GLN QB 3 43 TRP H 3.000 . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
261 3 42 GLN QB 3 43 TRP HD1 5.500 . 6.000 5.712 5.712 5.712 . 0 0 "[ ]" 1
262 3 42 GLN QB 3 43 TRP HE3 4.500 . 5.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
263 3 42 GLN QB 3 43 TRP HZ2 4.500 . 5.000 4.805 4.805 4.805 . 0 0 "[ ]" 1
264 3 42 GLN QB 3 43 TRP HZ3 4.500 . 5.000 2.641 2.641 2.641 . 0 0 "[ ]" 1
265 3 42 GLN QG 3 43 TRP HA 5.500 . 6.000 5.896 5.896 5.896 . 0 0 "[ ]" 1
266 3 42 GLN QG 3 43 TRP H 4.500 . 5.000 4.275 4.275 4.275 . 0 0 "[ ]" 1
267 3 42 GLN QG 3 43 TRP HZ2 5.500 . 6.000 6.065 6.065 6.065 0.065 1 0 "[ ]" 1
268 3 42 GLN QE 3 43 TRP H 5.500 . 6.000 5.830 5.830 5.830 . 0 0 "[ ]" 1
269 3 43 TRP H 3 44 LYS H 2.400 . 2.900 2.788 2.788 2.788 . 0 0 "[ ]" 1
270 3 43 TRP QB 3 44 LYS HA 4.500 . 5.000 3.971 3.971 3.971 . 0 0 "[ ]" 1
271 3 43 TRP QB 3 44 LYS H 2.400 . 2.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
272 3 43 TRP QB 3 44 LYS QE 3.000 . 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 1
273 3 43 TRP HD1 3 44 LYS H 5.500 2.700 6.000 5.320 5.320 5.320 . 0 0 "[ ]" 1
274 3 43 TRP HD1 3 44 LYS QE 4.500 . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
275 3 44 LYS HA 3 45 MET H 4.500 . 5.000 3.355 3.355 3.355 . 0 0 "[ ]" 1
276 3 44 LYS HA 3 45 MET QB 5.500 . 6.000 5.335 5.335 5.335 . 0 0 "[ ]" 1
277 3 44 LYS HA 3 45 MET ME 5.500 . 6.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
278 3 44 LYS H 3 45 MET H 2.400 . 2.900 2.534 2.534 2.534 . 0 0 "[ ]" 1
279 3 44 LYS QB 3 45 MET ME 4.500 . 5.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
280 3 44 LYS QB 3 45 MET QG 4.500 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
281 3 44 LYS QD 3 45 MET H 4.500 . 5.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
282 3 44 LYS QD 3 45 MET ME 5.500 . 6.500 3.862 3.862 3.862 . 0 0 "[ ]" 1
283 3 44 LYS QG 3 45 MET QB 5.500 . 6.000 5.981 5.981 5.981 . 0 0 "[ ]" 1
284 3 45 MET HA 3 46 LEU H 4.500 . 5.000 2.476 2.476 2.476 . 0 0 "[ ]" 1
285 3 45 MET QB 3 46 LEU HG 5.500 . 6.000 5.422 5.422 5.422 . 0 0 "[ ]" 1
286 3 45 MET QB 3 46 LEU H 3.500 . 4.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
287 3 45 MET QB 3 46 LEU MD2 5.500 . 6.500 5.713 5.713 5.713 . 0 0 "[ ]" 1
288 3 45 MET ME 3 46 LEU MD1 5.500 . 7.500 7.621 7.621 7.621 0.121 1 0 "[ ]" 1
289 3 46 LEU H 3 47 THR H 5.500 . 6.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
290 3 46 LEU QB 3 47 THR HA 4.500 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
291 3 46 LEU QB 3 47 THR H 3.000 . 3.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
292 3 46 LEU QB 3 47 THR MG 4.500 . 5.500 4.691 4.691 4.691 . 0 0 "[ ]" 1
293 3 47 THR HA 3 48 GLU H 2.400 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 1
294 3 47 THR HA 3 48 GLU QB 5.500 . 6.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
295 3 47 THR HB 3 48 GLU QG 5.500 . 6.000 5.212 5.212 5.212 . 0 0 "[ ]" 1
296 3 47 THR H 3 48 GLU QG 5.500 . 6.000 5.442 5.442 5.442 . 0 0 "[ ]" 1
297 3 48 GLU HA 3 49 ALA H 4.500 . 5.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
298 3 48 GLU HA 3 49 ALA MB 5.500 . 6.000 4.965 4.965 4.965 . 0 0 "[ ]" 1
299 3 48 GLU H 3 49 ALA H 4.500 . 5.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
300 3 48 GLU QB 3 49 ALA H 3.000 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
301 3 48 GLU QB 3 49 ALA MB 5.500 . 6.500 4.103 4.103 4.103 . 0 0 "[ ]" 1
302 3 48 GLU QG 3 49 ALA H 4.500 . 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
303 3 49 ALA HA 3 50 GLU QB 5.500 . 6.000 5.342 5.342 5.342 . 0 0 "[ ]" 1
304 3 49 ALA H 3 50 GLU H 2.400 . 2.900 2.679 2.679 2.679 . 0 0 "[ ]" 1
305 3 49 ALA H 3 50 GLU QG 5.500 . 6.000 5.591 5.591 5.591 . 0 0 "[ ]" 1
306 3 49 ALA MB 3 50 GLU QB 2.800 . 3.800 4.007 4.007 4.007 0.207 1 0 "[ ]" 1
307 3 49 ALA MB 3 50 GLU QG 4.500 . 5.500 3.978 3.978 3.978 . 0 0 "[ ]" 1
308 3 50 GLU QB 3 51 LYS H 4.500 . 5.000 2.932 2.932 2.932 . 0 0 "[ ]" 1
309 3 51 LYS HA 3 52 TRP H 3.000 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1
310 3 51 LYS QB 3 52 TRP H 3.000 . 3.500 1.768 1.768 1.768 . 0 0 "[ ]" 1
311 3 52 TRP H 3 53 PRO QB 5.500 . 6.000 5.642 5.642 5.642 . 0 0 "[ ]" 1
312 3 52 TRP QB 3 53 PRO HA 4.500 . 5.000 4.326 4.326 4.326 . 0 0 "[ ]" 1
313 3 52 TRP QB 3 53 PRO QD 4.500 . 5.000 2.060 2.060 2.060 . 0 0 "[ ]" 1
314 3 52 TRP HD1 3 53 PRO QD 4.500 . 5.000 4.935 4.935 4.935 . 0 0 "[ ]" 1
315 3 53 PRO QB 3 54 PHE H 5.500 . 6.000 1.947 1.947 1.947 . 0 0 "[ ]" 1
316 3 53 PRO QG 3 54 PHE HA 5.500 . 6.000 5.529 5.529 5.529 . 0 0 "[ ]" 1
317 3 53 PRO QG 3 54 PHE H 4.500 . 5.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
318 3 53 PRO QG 3 54 PHE QB 5.500 . 6.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
319 3 53 PRO QG 3 54 PHE QE 5.500 . 6.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
320 3 54 PHE HA 3 55 PHE H 4.500 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
321 3 54 PHE H 3 55 PHE H 2.400 . 2.900 2.819 2.819 2.819 . 0 0 "[ ]" 1
322 3 54 PHE QB 3 55 PHE H 3.500 . 4.000 3.857 3.857 3.857 . 0 0 "[ ]" 1
323 3 54 PHE QB 3 55 PHE QB 5.500 . 6.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
324 3 54 PHE QD 3 55 PHE H 4.500 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
325 3 54 PHE QD 3 55 PHE QB 4.500 . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
326 3 55 PHE HA 3 56 GLN H 4.500 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
327 3 55 PHE H 3 56 GLN H 2.400 . 2.900 2.766 2.766 2.766 . 0 0 "[ ]" 1
328 3 55 PHE H 3 56 GLN QG 5.500 . 6.500 4.993 4.993 4.993 . 0 0 "[ ]" 1
329 3 55 PHE QB 3 56 GLN H 2.400 . 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
330 3 55 PHE QB 3 56 GLN QG 5.500 . 6.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
331 3 55 PHE QB 3 56 GLN QE 5.500 . 6.000 4.019 4.019 4.019 . 0 0 "[ ]" 1
332 3 56 GLN HA 3 57 GLU H 3.000 . 3.500 3.569 3.569 3.569 0.069 1 0 "[ ]" 1
333 3 56 GLN H 3 57 GLU H 2.400 . 2.900 2.891 2.891 2.891 . 0 0 "[ ]" 1
334 3 56 GLN QB 3 57 GLU H 4.500 . 5.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
335 3 56 GLN QB 3 57 GLU QG 5.500 . 6.000 5.404 5.404 5.404 . 0 0 "[ ]" 1
336 3 56 GLN QG 3 57 GLU H 4.500 . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
337 3 57 GLU H 3 58 ALA H 2.400 . 2.900 2.771 2.771 2.771 . 0 0 "[ ]" 1
338 3 57 GLU QB 3 58 ALA H 2.400 . 2.900 2.418 2.418 2.418 . 0 0 "[ ]" 1
339 3 57 GLU QB 3 58 ALA MB 4.500 . 5.500 4.007 4.007 4.007 . 0 0 "[ ]" 1
340 3 57 GLU QG 3 58 ALA H 4.500 . 5.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
341 3 58 ALA HA 3 59 GLN H 3.000 . 3.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
342 3 58 ALA H 3 59 GLN H 2.400 . 2.900 2.883 2.883 2.883 . 0 0 "[ ]" 1
343 3 58 ALA MB 3 59 GLN H 2.400 . 3.400 2.938 2.938 2.938 . 0 0 "[ ]" 1
344 3 58 ALA MB 3 59 GLN QB 5.500 . 6.500 4.580 4.580 4.580 . 0 0 "[ ]" 1
345 3 58 ALA MB 3 59 GLN QG 4.500 . 5.500 3.646 3.646 3.646 . 0 0 "[ ]" 1
346 3 59 GLN H 3 60 LYS H 2.400 . 2.900 2.869 2.869 2.869 . 0 0 "[ ]" 1
347 3 59 GLN QB 3 60 LYS H 2.400 . 2.900 2.275 2.275 2.275 . 0 0 "[ ]" 1
348 3 59 GLN QG 3 60 LYS H 5.500 . 6.000 4.059 4.059 4.059 . 0 0 "[ ]" 1
349 3 60 LYS H 3 61 LEU H 2.400 . 2.900 2.829 2.829 2.829 . 0 0 "[ ]" 1
350 3 60 LYS H 3 61 LEU QD 5.500 . 6.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
351 3 60 LYS QB 3 61 LEU MD2 4.500 . 5.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
352 3 60 LYS QD 3 61 LEU QB 5.500 2.700 6.000 5.629 5.629 5.629 . 0 0 "[ ]" 1
353 3 60 LYS QD 3 61 LEU QD 2.800 . 4.300 3.265 3.265 3.265 . 0 0 "[ ]" 1
354 3 60 LYS QE 3 61 LEU QD 5.500 . 7.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
355 3 60 LYS QG 3 61 LEU QB 5.500 . 6.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
356 3 61 LEU HA 3 62 GLN H 3.000 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
357 3 61 LEU HG 3 62 GLN H 4.500 . 5.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
358 3 61 LEU QB 3 62 GLN H 3.000 . 3.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
359 3 61 LEU QB 3 62 GLN QG 4.500 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
360 3 61 LEU QD 3 62 GLN H 3.000 . 4.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
361 3 62 GLN HA 3 63 ALA H 3.000 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
362 3 62 GLN H 3 63 ALA H 2.400 . 2.900 2.799 2.799 2.799 . 0 0 "[ ]" 1
363 3 62 GLN QB 3 63 ALA H 2.400 . 2.900 2.515 2.515 2.515 . 0 0 "[ ]" 1
364 3 62 GLN QG 3 63 ALA H 4.500 . 5.000 4.316 4.316 4.316 . 0 0 "[ ]" 1
365 3 63 ALA MB 3 64 MET QB 5.500 . 6.500 4.269 4.269 4.269 . 0 0 "[ ]" 1
366 3 63 ALA MB 3 64 MET QG 4.500 . 5.500 3.024 3.024 3.024 . 0 0 "[ ]" 1
367 3 64 MET QB 3 65 HIS H 2.400 . 2.900 1.991 1.991 1.991 . 0 0 "[ ]" 1
368 3 64 MET QG 3 65 HIS HE1 5.500 . 6.000 6.047 6.047 6.047 0.047 1 0 "[ ]" 1
369 3 64 MET QG 3 65 HIS QB 5.500 . 6.000 5.750 5.750 5.750 . 0 0 "[ ]" 1
370 3 65 HIS QB 3 66 ARG H 3.000 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
371 3 65 HIS QB 3 66 ARG QB 5.500 . 6.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
372 3 66 ARG HA 3 67 GLU QG 5.500 . 6.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
373 3 66 ARG H 3 67 GLU H 2.400 . 2.900 2.731 2.731 2.731 . 0 0 "[ ]" 1
374 3 66 ARG QG 3 67 GLU QG 5.500 . 6.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
375 3 67 GLU HA 3 68 LYS H 3.000 . 3.500 3.429 3.429 3.429 . 0 0 "[ ]" 1
376 3 67 GLU HA 3 68 LYS QB 5.500 . 6.000 5.364 5.364 5.364 . 0 0 "[ ]" 1
377 3 67 GLU HA 3 68 LYS QG 5.500 . 6.000 5.204 5.204 5.204 . 0 0 "[ ]" 1
378 3 67 GLU H 3 68 LYS H 2.400 . 2.900 2.694 2.694 2.694 . 0 0 "[ ]" 1
379 3 67 GLU QB 3 68 LYS H 3.000 . 3.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
380 3 67 GLU QG 3 68 LYS QB 5.500 . 6.000 5.902 5.902 5.902 . 0 0 "[ ]" 1
381 3 68 LYS HA 3 69 TYR H 3.000 . 3.500 3.475 3.475 3.475 . 0 0 "[ ]" 1
382 3 68 LYS H 3 69 TYR QE 4.500 . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
383 3 68 LYS H 3 69 TYR H 2.400 . 2.900 2.317 2.317 2.317 . 0 0 "[ ]" 1
384 3 68 LYS QB 3 69 TYR H 3.000 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
385 3 69 TYR HA 3 70 PRO QD 2.800 . 3.300 2.279 2.279 2.279 . 0 0 "[ ]" 1
386 3 69 TYR QE 3 70 PRO QD 5.500 . 6.000 5.631 5.631 5.631 . 0 0 "[ ]" 1
387 3 68 LYS QB 3 69 TYR QE 4.500 . 5.000 2.670 2.670 2.670 . 0 0 "[ ]" 1
388 3 68 LYS QB 3 69 TYR QD 4.500 . 5.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
389 3 68 LYS QD 3 69 TYR QE 4.500 . 5.000 2.916 2.916 2.916 . 0 0 "[ ]" 1
390 3 68 LYS QE 3 69 TYR QE 5.500 . 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
391 3 70 PRO QB 3 71 ASN H 5.500 . 6.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
392 3 70 PRO QD 3 71 ASN HA 5.500 . 6.000 5.791 5.791 5.791 . 0 0 "[ ]" 1
393 3 71 ASN HA 3 72 TYR H 4.500 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
394 3 71 ASN HA 3 72 TYR QB 4.500 . 5.000 5.144 5.144 5.144 0.144 1 0 "[ ]" 1
395 3 72 TYR HA 3 73 LYS H 2.800 . 3.300 2.203 2.203 2.203 . 0 0 "[ ]" 1
396 3 72 TYR QB 3 73 LYS QB 5.500 . 6.000 5.459 5.459 5.459 . 0 0 "[ ]" 1
397 3 72 TYR QD 3 73 LYS H 5.500 . 6.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
398 3 73 LYS HA 3 74 TYR H 3.000 . 3.500 2.429 2.429 2.429 . 0 0 "[ ]" 1
399 3 73 LYS QB 3 74 TYR H 4.500 . 5.000 2.312 2.312 2.312 . 0 0 "[ ]" 1
400 3 73 LYS QG 3 74 TYR H 5.500 . 6.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
401 3 73 LYS QG 3 74 TYR HA 5.500 . 6.000 5.988 5.988 5.988 . 0 0 "[ ]" 1
402 3 74 TYR HA 3 75 ARG H 3.000 . 3.500 2.451 2.451 2.451 . 0 0 "[ ]" 1
403 3 74 TYR QB 3 75 ARG H 4.500 . 5.000 2.462 2.462 2.462 . 0 0 "[ ]" 1
404 3 74 TYR QB 3 75 ARG HA 4.500 . 5.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
405 3 74 TYR QD 3 75 ARG HA 5.500 . 6.000 5.817 5.817 5.817 . 0 0 "[ ]" 1
406 3 74 TYR QD 3 75 ARG H 3.000 . 3.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
407 3 9 MET HA 3 13 ILE MG 2.800 . 3.800 3.814 3.814 3.814 0.014 1 0 "[ ]" 1
408 3 9 MET QB 3 14 VAL MG1 4.500 . 5.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
409 3 10 ASN H 3 13 ILE MD 4.500 . 5.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
410 3 10 ASN H 3 13 ILE QG 4.500 . 5.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
411 3 10 ASN H 3 13 ILE MG 4.500 . 5.500 3.716 3.716 3.716 . 0 0 "[ ]" 1
412 3 11 ALA HA 3 14 VAL HB 4.500 . 5.000 2.743 2.743 2.743 . 0 0 "[ ]" 1
413 3 11 ALA HA 3 14 VAL H 4.500 . 5.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
414 3 11 ALA HA 3 14 VAL MG1 4.500 . 5.500 3.757 3.757 3.757 . 0 0 "[ ]" 1
415 3 11 ALA MB 3 14 VAL HB 4.500 . 5.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
416 3 11 ALA MB 3 14 VAL MG1 5.500 . 6.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
417 3 11 ALA MB 3 14 VAL MG2 5.500 . 6.500 3.594 3.594 3.594 . 0 0 "[ ]" 1
418 3 11 ALA MB 3 15 TRP HH2 5.500 . 6.500 4.820 4.820 4.820 . 0 0 "[ ]" 1
419 3 12 PHE HA 3 15 TRP H 4.500 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
420 3 12 PHE QB 3 14 VAL HB 5.500 . 6.000 5.746 5.746 5.746 . 0 0 "[ ]" 1
421 3 12 PHE QB 3 14 VAL MG2 5.500 . 6.500 5.309 5.309 5.309 . 0 0 "[ ]" 1
422 3 12 PHE QD 3 15 TRP HZ3 4.500 . 5.000 2.697 2.697 2.697 . 0 0 "[ ]" 1
423 3 14 VAL HA 3 17 ARG H 4.500 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
424 3 14 VAL HA 3 17 ARG QD 4.500 . 5.000 4.191 4.191 4.191 . 0 0 "[ ]" 1
425 3 14 VAL MG2 3 16 SER QB 5.500 . 6.500 5.620 5.620 5.620 . 0 0 "[ ]" 1
426 3 14 VAL MG2 3 17 ARG QD 5.500 . 6.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
427 3 14 VAL MG1 3 17 ARG QG 2.800 . 3.800 3.687 3.687 3.687 . 0 0 "[ ]" 1
428 3 15 TRP HA 3 18 ASP H 4.500 . 5.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
429 3 15 TRP HE1 3 19 GLN QG 5.500 . 6.000 5.923 5.923 5.923 . 0 0 "[ ]" 1
430 3 15 TRP HE1 3 19 GLN QE 6.500 2.700 7.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
431 3 16 SER H 3 19 GLN H 4.500 . 5.000 4.918 4.918 4.918 . 0 0 "[ ]" 1
432 3 16 SER QB 3 19 GLN H 5.500 . 6.000 5.653 5.653 5.653 . 0 0 "[ ]" 1
433 3 16 SER QB 3 20 ARG H 4.500 . 5.000 4.788 4.788 4.788 . 0 0 "[ ]" 1
434 3 16 SER QB 3 20 ARG QD 5.500 . 6.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
435 3 17 ARG HA 3 21 ARG QB 5.500 . 6.000 5.077 5.077 5.077 . 0 0 "[ ]" 1
436 3 17 ARG H 3 20 ARG QB 4.500 . 5.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
437 3 18 ASP HA 3 21 ARG H 4.500 . 5.000 3.424 3.424 3.424 . 0 0 "[ ]" 1
438 3 18 ASP HA 3 21 ARG QB 5.500 . 6.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
439 3 18 ASP HA 3 22 LYS H 4.500 . 5.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
440 3 18 ASP QB 3 22 LYS H 5.500 . 6.000 5.184 5.184 5.184 . 0 0 "[ ]" 1
441 3 19 GLN HA 3 22 LYS H 3.000 . 3.500 3.666 3.666 3.666 0.166 1 0 "[ ]" 1
442 3 19 GLN HA 3 22 LYS QB 4.500 . 5.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
443 3 19 GLN HA 3 22 LYS QD 4.500 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
444 3 19 GLN HA 3 23 MET H 4.500 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
445 3 19 GLN QB 3 21 ARG H 5.500 . 6.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
446 3 19 GLN QG 3 22 LYS H 5.500 . 6.000 4.751 4.751 4.751 . 0 0 "[ ]" 1
447 3 19 GLN QG 3 22 LYS QG 5.500 . 6.000 5.712 5.712 5.712 . 0 0 "[ ]" 1
448 3 19 GLN QE 3 22 LYS H 5.500 . 6.000 6.293 6.293 6.293 0.293 1 0 "[ ]" 1
449 3 20 ARG HA 3 23 MET H 4.500 . 5.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
450 3 20 ARG HA 3 24 ALA H 4.500 . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
451 3 20 ARG HA 3 35 ILE MG 5.500 . 6.000 5.760 5.760 5.760 . 0 0 "[ ]" 1
452 3 20 ARG HA 3 39 LEU MD2 5.500 . 6.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
453 3 20 ARG H 3 22 LYS H 4.500 . 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
454 3 20 ARG QB 3 23 MET QB 5.500 . 6.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
455 3 20 ARG QB 3 24 ALA H 4.500 . 5.000 5.058 5.058 5.058 0.058 1 0 "[ ]" 1
456 3 20 ARG QB 3 39 LEU MD1 2.800 . 4.300 3.994 3.994 3.994 . 0 0 "[ ]" 1
457 3 20 ARG QG 3 23 MET QB 5.500 . 6.000 3.237 3.237 3.237 . 0 0 "[ ]" 1
458 3 21 ARG HA 3 23 MET H 4.500 . 5.000 4.493 4.493 4.493 . 0 0 "[ ]" 1
459 3 21 ARG HA 3 24 ALA H 3.000 . 3.500 3.272 3.272 3.272 . 0 0 "[ ]" 1
460 3 21 ARG HA 3 24 ALA MB 2.800 . 3.800 2.276 2.276 2.276 . 0 0 "[ ]" 1
461 3 21 ARG HA 3 25 LEU QD 4.500 . 6.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
462 3 21 ARG QD 3 25 LEU QD 4.500 . 6.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
463 3 21 ARG QG 3 25 LEU QB 5.500 . 6.000 4.800 4.800 4.800 . 0 0 "[ ]" 1
464 3 21 ARG QG 3 25 LEU QD 4.500 . 6.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
465 3 22 LYS HA 3 25 LEU HG 4.500 . 5.000 3.120 3.120 3.120 . 0 0 "[ ]" 1
466 3 22 LYS HA 3 25 LEU H 3.000 . 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
467 3 22 LYS HA 3 25 LEU QB 4.500 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
468 3 22 LYS HA 3 25 LEU QD 4.500 . 6.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
469 3 22 LYS H 3 24 ALA H 4.500 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
470 3 22 LYS QB 3 25 LEU QB 5.500 2.700 6.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
471 3 22 LYS QE 3 25 LEU QB 5.500 . 6.000 5.362 5.362 5.362 . 0 0 "[ ]" 1
472 3 22 LYS QG 3 25 LEU QB 5.500 . 6.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
473 3 22 LYS QG 3 25 LEU QD 3.000 . 4.500 3.351 3.351 3.351 . 0 0 "[ ]" 1
474 3 23 MET HA 3 25 LEU QD 5.500 . 7.000 5.523 5.523 5.523 . 0 0 "[ ]" 1
475 3 23 MET HA 3 27 ASN QD 5.500 2.700 6.000 5.877 5.877 5.877 . 0 0 "[ ]" 1
476 3 23 MET H 3 25 LEU QD 5.500 . 7.000 5.106 5.106 5.106 . 0 0 "[ ]" 1
477 3 23 MET ME 3 25 LEU QD 5.500 . 7.500 7.464 7.464 7.464 . 0 0 "[ ]" 1
478 3 23 MET ME 3 27 ASN QB 5.500 . 6.500 2.799 2.799 2.799 . 0 0 "[ ]" 1
479 3 23 MET QG 3 25 LEU QD 5.500 . 7.000 6.597 6.597 6.597 . 0 0 "[ ]" 1
480 3 24 ALA MB 3 28 PRO QB 4.500 . 5.500 3.432 3.432 3.432 . 0 0 "[ ]" 1
481 3 25 LEU HG 3 28 PRO QD 5.500 . 6.000 5.981 5.981 5.981 . 0 0 "[ ]" 1
482 3 25 LEU QD 3 28 PRO QB 5.500 . 7.000 5.083 5.083 5.083 . 0 0 "[ ]" 1
483 3 26 GLU HA 3 28 PRO QD 4.500 . 5.000 3.348 3.348 3.348 . 0 0 "[ ]" 1
484 3 27 ASN QB 3 30 MET HA 4.500 . 5.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
485 3 27 ASN QB 3 30 MET H 4.500 . 5.000 4.600 4.600 4.600 . 0 0 "[ ]" 1
486 3 27 ASN QB 3 30 MET QB 5.500 . 6.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
487 3 27 ASN QD 3 30 MET QB 5.500 . 6.000 5.614 5.614 5.614 . 0 0 "[ ]" 1
488 3 28 PRO HA 3 30 MET H 4.500 . 5.000 4.554 4.554 4.554 . 0 0 "[ ]" 1
489 3 28 PRO HA 3 30 MET QG 5.500 . 6.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
490 3 29 ARG QB 3 31 ARG QB 6.500 2.700 7.000 5.929 5.929 5.929 . 0 0 "[ ]" 1
491 3 29 ARG QD 3 31 ARG QD 5.500 . 6.000 5.081 5.081 5.081 . 0 0 "[ ]" 1
492 3 30 MET QB 3 34 GLU QB 5.500 . 6.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
493 3 30 MET QB 3 35 ILE MG 4.500 . 5.500 2.856 2.856 2.856 . 0 0 "[ ]" 1
494 3 30 MET QG 3 34 GLU QG 5.500 . 6.000 5.227 5.227 5.227 . 0 0 "[ ]" 1
495 3 30 MET QG 3 35 ILE MG 4.500 . 5.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
496 3 34 GLU H 3 36 SER H 4.500 . 5.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
497 3 34 GLU QB 3 38 GLN QG 2.200 . 2.700 2.727 2.727 2.727 0.027 1 0 "[ ]" 1
498 3 34 GLU QG 3 37 LYS QB 5.500 . 6.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
499 3 34 GLU QG 3 38 GLN QB 5.500 . 6.000 6.040 6.040 6.040 0.040 1 0 "[ ]" 1
500 3 35 ILE HA 3 38 GLN H 4.500 . 5.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
501 3 35 ILE HA 3 38 GLN QB 4.500 . 5.000 2.314 2.314 2.314 . 0 0 "[ ]" 1
502 3 35 ILE HA 3 38 GLN QG 4.500 . 5.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
503 3 35 ILE HA 3 39 LEU MD1 4.500 . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
504 3 35 ILE MD 3 39 LEU HG 4.500 . 5.500 3.620 3.620 3.620 . 0 0 "[ ]" 1
505 3 35 ILE MG 3 39 LEU MD2 4.500 . 6.000 5.970 5.970 5.970 . 0 0 "[ ]" 1
506 3 36 SER HA 3 39 LEU MD1 4.500 . 5.500 2.928 2.928 2.928 . 0 0 "[ ]" 1
507 3 37 LYS HA 3 39 LEU MD1 5.500 . 6.500 6.107 6.107 6.107 . 0 0 "[ ]" 1
508 3 37 LYS QD 3 39 LEU H 5.500 . 6.000 5.503 5.503 5.503 . 0 0 "[ ]" 1
509 3 38 GLN HA 3 41 TYR H 3.000 . 3.500 3.321 3.321 3.321 . 0 0 "[ ]" 1
510 3 38 GLN HA 3 41 TYR QB 2.800 . 3.300 3.022 3.022 3.022 . 0 0 "[ ]" 1
511 3 38 GLN HA 3 41 TYR QD 4.500 . 5.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
512 3 38 GLN H 3 41 TYR H 5.500 . 6.000 4.972 4.972 4.972 . 0 0 "[ ]" 1
513 3 39 LEU HA 3 41 TYR QD 4.500 . 5.000 5.089 5.089 5.089 0.089 1 0 "[ ]" 1
514 3 39 LEU HA 3 42 GLN H 4.500 . 5.000 3.018 3.018 3.018 . 0 0 "[ ]" 1
515 3 39 LEU HA 3 42 GLN QE 5.500 . 6.000 4.893 4.893 4.893 . 0 0 "[ ]" 1
516 3 39 LEU HA 3 43 TRP QB 5.500 . 6.000 5.987 5.987 5.987 . 0 0 "[ ]" 1
517 3 39 LEU HA 3 43 TRP HZ2 4.500 . 5.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
518 3 39 LEU HG 3 42 GLN QE 5.500 . 6.000 6.168 6.168 6.168 0.168 1 0 "[ ]" 1
519 3 39 LEU HG 3 43 TRP HE1 5.500 . 6.000 6.143 6.143 6.143 0.143 1 0 "[ ]" 1
520 3 39 LEU QB 3 43 TRP HE1 4.500 . 5.000 3.111 3.111 3.111 . 0 0 "[ ]" 1
521 3 39 LEU QB 3 43 TRP HE3 5.500 . 6.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
522 3 39 LEU MD1 3 42 GLN QG 4.500 . 5.500 5.288 5.288 5.288 . 0 0 "[ ]" 1
523 3 39 LEU MD2 3 42 GLN QE 4.500 . 6.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
524 3 39 LEU MD2 3 43 TRP QB 5.500 . 6.500 6.111 6.111 6.111 . 0 0 "[ ]" 1
525 3 39 LEU MD2 3 43 TRP HD1 5.500 . 6.500 6.198 6.198 6.198 . 0 0 "[ ]" 1
526 3 39 LEU MD2 3 43 TRP HE1 4.500 . 5.500 4.653 4.653 4.653 . 0 0 "[ ]" 1
527 3 39 LEU MD1 3 43 TRP HE3 5.500 . 6.500 6.558 6.558 6.558 0.058 1 0 "[ ]" 1
528 3 39 LEU MD2 3 43 TRP HZ2 4.500 . 5.500 2.669 2.669 2.669 . 0 0 "[ ]" 1
529 3 39 LEU MD2 3 43 TRP HZ3 2.800 . 4.300 3.669 3.669 3.669 . 0 0 "[ ]" 1
530 3 40 GLY HA3 3 43 TRP HE1 4.500 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
531 3 41 TYR HA 3 44 LYS H 4.500 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
532 3 41 TYR HA 3 44 LYS QB 4.500 . 5.000 3.253 3.253 3.253 . 0 0 "[ ]" 1
533 3 41 TYR HA 3 44 LYS QD 4.500 . 5.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
534 3 41 TYR H 3 44 LYS QD 4.500 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
535 3 41 TYR QB 3 44 LYS QE 5.500 . 6.000 4.895 4.895 4.895 . 0 0 "[ ]" 1
536 3 41 TYR QB 3 45 MET ME 4.500 . 5.500 5.038 5.038 5.038 . 0 0 "[ ]" 1
537 3 41 TYR QD 3 44 LYS QE 5.500 . 6.000 5.557 5.557 5.557 . 0 0 "[ ]" 1
538 3 41 TYR QE 3 44 LYS QB 5.500 . 6.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
539 3 41 TYR QE 3 44 LYS QD 5.500 . 6.000 5.393 5.393 5.393 . 0 0 "[ ]" 1
540 3 41 TYR QE 3 45 MET QB 4.500 . 5.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
541 3 42 GLN HA 3 45 MET HA 5.500 . 6.000 5.408 5.408 5.408 . 0 0 "[ ]" 1
542 3 42 GLN HA 3 45 MET QB 4.500 . 5.000 3.149 3.149 3.149 . 0 0 "[ ]" 1
543 3 42 GLN HA 3 45 MET H 3.000 . 3.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
544 3 42 GLN QG 3 45 MET QB 4.500 . 5.000 4.972 4.972 4.972 . 0 0 "[ ]" 1
545 3 42 GLN QE 3 47 THR HB 3.500 . 4.000 4.138 4.138 4.138 0.138 1 0 "[ ]" 1
546 3 43 TRP QB 3 46 LEU HG 4.500 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
547 3 43 TRP HZ2 3 46 LEU MD2 4.500 . 5.500 5.437 5.437 5.437 . 0 0 "[ ]" 1
548 3 43 TRP HZ3 3 46 LEU QB 4.500 . 5.000 5.130 5.130 5.130 0.130 1 0 "[ ]" 1
549 3 43 TRP HZ3 3 46 LEU MD1 4.500 . 5.500 5.584 5.584 5.584 0.084 1 0 "[ ]" 1
550 3 44 LYS HA 3 46 LEU HG 4.500 . 5.000 4.953 4.953 4.953 . 0 0 "[ ]" 1
551 3 44 LYS QE 3 46 LEU MD2 6.500 . 7.500 7.139 7.139 7.139 . 0 0 "[ ]" 1
552 3 45 MET HA 3 48 GLU QG 6.500 2.700 7.000 6.892 6.892 6.892 . 0 0 "[ ]" 1
553 3 45 MET QB 3 47 THR H 5.500 . 6.000 5.271 5.271 5.271 . 0 0 "[ ]" 1
554 3 45 MET QB 3 48 GLU QG 6.500 . 7.000 6.742 6.742 6.742 . 0 0 "[ ]" 1
555 3 46 LEU HG 3 51 LYS QD 5.500 . 6.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
556 3 46 LEU MD2 3 50 GLU QB 5.500 . 6.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
557 3 46 LEU MD2 3 50 GLU QG 5.500 . 6.500 6.096 6.096 6.096 . 0 0 "[ ]" 1
558 3 46 LEU MD2 3 51 LYS H 5.500 . 6.500 5.576 5.576 5.576 . 0 0 "[ ]" 1
559 3 46 LEU MD2 3 51 LYS QB 5.500 . 6.500 4.940 4.940 4.940 . 0 0 "[ ]" 1
560 3 47 THR HA 3 49 ALA H 4.500 . 5.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
561 3 47 THR HB 3 49 ALA MB 4.500 . 5.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
562 3 47 THR H 3 50 GLU H 4.500 . 5.000 4.775 4.775 4.775 . 0 0 "[ ]" 1
563 3 47 THR MG 3 49 ALA MB 3.500 . 4.500 4.121 4.121 4.121 . 0 0 "[ ]" 1
564 3 47 THR MG 3 50 GLU QB 4.500 . 5.500 4.195 4.195 4.195 . 0 0 "[ ]" 1
565 3 48 GLU HA 3 50 GLU H 4.500 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
566 3 48 GLU HA 3 51 LYS H 3.000 . 3.500 2.890 2.890 2.890 . 0 0 "[ ]" 1
567 3 48 GLU HA 3 52 TRP H 3.000 . 3.500 3.595 3.595 3.595 0.095 1 0 "[ ]" 1
568 3 48 GLU HA 3 53 PRO QD 4.500 . 5.000 4.773 4.773 4.773 . 0 0 "[ ]" 1
569 3 48 GLU H 3 52 TRP H 6.500 2.700 7.000 6.346 6.346 6.346 . 0 0 "[ ]" 1
570 3 48 GLU QG 3 51 LYS QB 4.500 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
571 3 49 ALA HA 3 52 TRP QB 5.500 . 6.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
572 3 49 ALA MB 3 52 TRP QB 5.500 . 6.500 5.837 5.837 5.837 . 0 0 "[ ]" 1
573 3 50 GLU QB 3 53 PRO QG 5.500 . 6.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
574 3 50 GLU QG 3 54 PHE HZ 5.500 . 6.000 5.775 5.775 5.775 . 0 0 "[ ]" 1
575 3 51 LYS HA 3 54 PHE QD 5.500 . 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
576 3 51 LYS H 3 53 PRO QB 5.500 . 6.000 5.729 5.729 5.729 . 0 0 "[ ]" 1
577 3 51 LYS QB 3 53 PRO QG 5.500 . 6.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
578 3 51 LYS QB 3 54 PHE HZ 5.500 . 6.000 5.459 5.459 5.459 . 0 0 "[ ]" 1
579 3 52 TRP HA 3 54 PHE H 5.500 . 6.000 5.420 5.420 5.420 . 0 0 "[ ]" 1
580 3 52 TRP HD1 3 56 GLN QE 4.500 . 5.000 3.294 3.294 3.294 . 0 0 "[ ]" 1
581 3 52 TRP HE1 3 56 GLN QE 4.500 . 5.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
582 3 52 TRP HE1 3 56 GLN HA 5.500 . 6.000 5.905 5.905 5.905 . 0 0 "[ ]" 1
583 3 52 TRP HE1 3 56 GLN QG 5.500 . 6.000 3.214 3.214 3.214 . 0 0 "[ ]" 1
584 3 53 PRO HA 3 56 GLN QB 5.500 . 6.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
585 3 53 PRO HA 3 56 GLN QG 5.500 . 6.000 5.591 5.591 5.591 . 0 0 "[ ]" 1
586 3 54 PHE HA 3 57 GLU H 4.500 . 5.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
587 3 54 PHE H 3 56 GLN H 4.500 . 5.000 4.824 4.824 4.824 . 0 0 "[ ]" 1
588 3 54 PHE H 3 56 GLN QE 4.500 . 5.000 4.629 4.629 4.629 . 0 0 "[ ]" 1
589 3 54 PHE QB 3 58 ALA MB 4.500 . 5.500 4.076 4.076 4.076 . 0 0 "[ ]" 1
590 3 54 PHE QD 3 58 ALA MB 4.500 . 5.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
591 3 55 PHE HA 3 58 ALA H 3.000 . 3.500 3.413 3.413 3.413 . 0 0 "[ ]" 1
592 3 55 PHE HA 3 57 GLU QG 5.500 2.700 6.000 6.065 6.065 6.065 0.065 1 0 "[ ]" 1
593 3 55 PHE HA 3 58 ALA MB 4.500 . 5.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
594 3 56 GLN HA 3 59 GLN QB 4.500 . 5.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
595 3 56 GLN HA 3 59 GLN QG 4.500 . 5.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
596 3 56 GLN HA 3 60 LYS H 5.500 2.700 6.000 5.251 5.251 5.251 . 0 0 "[ ]" 1
597 3 57 GLU HA 3 60 LYS QB 4.500 . 5.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
598 3 57 GLU HA 3 60 LYS QD 5.500 . 6.000 4.225 4.225 4.225 . 0 0 "[ ]" 1
599 3 57 GLU QG 3 60 LYS QD 5.500 . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
600 3 57 GLU QG 3 60 LYS QE 5.500 . 6.000 2.463 2.463 2.463 . 0 0 "[ ]" 1
601 3 57 GLU QG 3 61 LEU QD 5.500 . 7.000 2.017 2.017 2.017 . 0 0 "[ ]" 1
602 3 58 ALA HA 3 61 LEU MD2 3.500 . 4.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
603 3 58 ALA HA 3 61 LEU MD1 4.500 . 5.500 4.700 4.700 4.700 . 0 0 "[ ]" 1
604 3 58 ALA H 3 61 LEU QD 3.000 . 4.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
605 3 58 ALA MB 3 61 LEU QD 2.200 . 4.200 4.169 4.169 4.169 . 0 0 "[ ]" 1
606 3 58 ALA MB 3 62 GLN QB 5.500 . 6.500 4.500 4.500 4.500 . 0 0 "[ ]" 1
607 3 60 LYS HA 3 63 ALA MB 3.000 . 3.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
608 3 60 LYS QB 3 63 ALA MB 5.500 . 6.500 3.328 3.328 3.328 . 0 0 "[ ]" 1
609 3 61 LEU QB 3 64 MET ME 5.500 . 6.500 4.552 4.552 4.552 . 0 0 "[ ]" 1
610 3 61 LEU QD 3 64 MET QB 5.500 . 7.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
611 3 61 LEU QD 3 64 MET ME 3.000 . 5.000 2.768 2.768 2.768 . 0 0 "[ ]" 1
612 3 62 GLN HA 3 65 HIS H 4.500 . 5.000 4.294 4.294 4.294 . 0 0 "[ ]" 1
613 3 62 GLN HA 3 66 ARG H 5.500 . 6.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
614 3 62 GLN HA 3 66 ARG QB 4.500 . 5.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
615 3 62 GLN HA 3 66 ARG QD 5.500 . 6.000 5.324 5.324 5.324 . 0 0 "[ ]" 1
616 3 62 GLN HA 3 66 ARG QG 5.500 . 6.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
617 3 63 ALA HA 3 67 GLU H 4.500 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
618 3 64 MET QG 3 67 GLU QB 5.500 . 6.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
619 3 64 MET QG 3 67 GLU QG 5.500 . 6.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
620 3 65 HIS HA 3 68 LYS H 3.000 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
621 3 65 HIS HA 3 68 LYS QB 4.500 . 5.000 2.731 2.731 2.731 . 0 0 "[ ]" 1
622 3 70 PRO QB 3 72 TYR H 5.500 . 6.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
623 3 64 MET H 3 66 ARG H 4.500 . 5.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
624 3 60 LYS H 3 63 ALA H 4.500 . 5.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
625 3 35 ILE H 3 38 GLN H 4.500 . 5.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
626 3 33 SER H 3 36 SER H 5.500 . 6.000 5.831 5.831 5.831 . 0 0 "[ ]" 1
627 3 5 VAL HA 3 69 TYR QD 5.500 . 6.000 5.416 5.416 5.416 . 0 0 "[ ]" 1
628 3 5 VAL HB 3 72 TYR QD 5.000 . 5.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
629 3 5 VAL HB 3 72 TYR QE 5.000 . 5.500 4.608 4.608 4.608 . 0 0 "[ ]" 1
630 3 5 VAL MG2 3 69 TYR QE 2.500 . 3.500 3.442 3.442 3.442 . 0 0 "[ ]" 1
631 3 5 VAL MG1 3 69 TYR QE 3.500 . 4.500 2.714 2.714 2.714 . 0 0 "[ ]" 1
632 3 5 VAL MG1 3 69 TYR QD 3.500 . 4.500 2.741 2.741 2.741 . 0 0 "[ ]" 1
633 3 5 VAL MG2 3 69 TYR QD 3.500 . 4.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
634 3 5 VAL MG1 3 72 TYR QD 3.500 2.200 4.500 4.324 4.324 4.324 . 0 0 "[ ]" 1
635 3 5 VAL MG2 3 72 TYR QD 4.500 2.300 5.500 2.321 2.321 2.321 . 0 0 "[ ]" 1
636 3 5 VAL MG1 3 72 TYR QE 4.500 2.300 5.500 4.935 4.935 4.935 . 0 0 "[ ]" 1
637 3 5 VAL MG2 3 72 TYR QE 4.500 2.300 5.500 2.297 2.297 2.297 0.003 1 0 "[ ]" 1
638 3 6 LYS QE 3 68 LYS QD 4.500 . 5.000 3.642 3.642 3.642 . 0 0 "[ ]" 1
639 3 6 LYS QE 3 68 LYS QB 5.500 . 6.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
640 3 8 PRO HA 3 61 LEU QD 5.500 . 7.000 4.602 4.602 4.602 . 0 0 "[ ]" 1
641 3 8 PRO QB 3 61 LEU QB 4.500 . 5.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
642 3 8 PRO QB 3 65 HIS QB 5.500 . 6.000 5.415 5.415 5.415 . 0 0 "[ ]" 1
643 3 8 PRO QD 3 65 HIS QB 4.500 . 5.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
644 3 8 PRO QD 3 65 HIS HE1 4.500 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
645 3 8 PRO QG 3 64 MET QG 6.500 . 7.000 6.529 6.529 6.529 . 0 0 "[ ]" 1
646 3 8 PRO QG 3 65 HIS QB 4.500 . 5.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
647 3 9 MET HA 3 61 LEU QD 5.500 . 7.000 6.571 6.571 6.571 . 0 0 "[ ]" 1
648 3 9 MET H 3 61 LEU QD 3.000 . 4.500 4.352 4.352 4.352 . 0 0 "[ ]" 1
649 3 9 MET QG 3 17 ARG QG 5.500 . 6.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
650 3 11 ALA HA 3 58 ALA MB 4.500 . 5.500 3.513 3.513 3.513 . 0 0 "[ ]" 1
651 3 11 ALA MB 3 55 PHE QE 4.500 . 5.500 3.757 3.757 3.757 . 0 0 "[ ]" 1
652 3 11 ALA MB 3 54 PHE QB 5.500 . 6.500 5.925 5.925 5.925 . 0 0 "[ ]" 1
653 3 11 ALA MB 3 54 PHE QD 5.500 . 6.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
654 3 11 ALA MB 3 54 PHE QE 4.500 . 5.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
655 3 11 ALA MB 3 55 PHE HA 4.500 . 5.500 4.586 4.586 4.586 . 0 0 "[ ]" 1
656 3 11 ALA MB 3 55 PHE H 5.500 . 6.500 6.381 6.381 6.381 . 0 0 "[ ]" 1
657 3 11 ALA MB 3 55 PHE HZ 5.500 . 6.500 3.783 3.783 3.783 . 0 0 "[ ]" 1
658 3 11 ALA MB 3 55 PHE QD 5.500 . 6.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
659 3 11 ALA MB 3 58 ALA HA 5.500 . 6.500 5.351 5.351 5.351 . 0 0 "[ ]" 1
660 3 11 ALA MB 3 58 ALA H 5.500 . 6.500 5.894 5.894 5.894 . 0 0 "[ ]" 1
661 3 11 ALA MB 3 58 ALA MB 3.000 . 4.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
662 3 12 PHE HA 3 43 TRP HE1 5.500 . 6.000 5.802 5.802 5.802 . 0 0 "[ ]" 1
663 3 12 PHE QB 3 43 TRP HE1 5.500 . 6.000 5.339 5.339 5.339 . 0 0 "[ ]" 1
664 3 12 PHE QB 3 43 TRP HZ2 5.500 . 6.000 5.276 5.276 5.276 . 0 0 "[ ]" 1
665 3 12 PHE HZ 3 39 LEU MD2 4.500 . 5.500 5.189 5.189 5.189 . 0 0 "[ ]" 1
666 3 12 PHE QE 3 43 TRP HE1 4.500 . 5.000 1.683 1.683 1.683 . 0 0 "[ ]" 1
667 3 12 PHE QE 3 43 TRP HZ2 5.500 . 6.000 2.296 2.296 2.296 . 0 0 "[ ]" 1
668 3 14 VAL HB 3 54 PHE QD 4.500 . 5.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
669 3 14 VAL MG1 3 50 GLU QG 5.500 . 6.500 6.148 6.148 6.148 . 0 0 "[ ]" 1
670 3 14 VAL MG1 3 53 PRO QG 5.500 . 6.500 6.550 6.550 6.550 0.050 1 0 "[ ]" 1
671 3 14 VAL MG2 3 54 PHE HA 5.500 . 6.500 6.149 6.149 6.149 . 0 0 "[ ]" 1
672 3 14 VAL MG2 3 54 PHE HZ 5.500 . 6.500 5.421 5.421 5.421 . 0 0 "[ ]" 1
673 3 14 VAL MG2 3 54 PHE QD 3.000 . 4.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
674 3 14 VAL MG2 3 54 PHE QE 5.500 . 6.500 3.989 3.989 3.989 . 0 0 "[ ]" 1
675 3 14 VAL MG2 3 57 GLU QB 5.500 . 6.500 5.692 5.692 5.692 . 0 0 "[ ]" 1
676 3 14 VAL MG2 3 57 GLU QG 5.500 . 6.500 5.272 5.272 5.272 . 0 0 "[ ]" 1
677 3 14 VAL MG1 3 57 GLU QG 5.500 . 6.500 5.549 5.549 5.549 . 0 0 "[ ]" 1
678 3 14 VAL MG2 3 58 ALA H 4.500 . 5.500 5.182 5.182 5.182 . 0 0 "[ ]" 1
679 3 14 VAL MG1 3 58 ALA MB 3.000 . 4.500 3.897 3.897 3.897 . 0 0 "[ ]" 1
680 3 14 VAL MG2 3 58 ALA MB 4.500 . 5.500 3.139 3.139 3.139 . 0 0 "[ ]" 1
681 3 15 TRP HD1 3 50 GLU QG 4.500 . 5.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
682 3 15 TRP HE1 3 39 LEU MD2 5.500 . 6.500 6.157 6.157 6.157 . 0 0 "[ ]" 1
683 3 15 TRP HE1 3 46 LEU MD2 4.500 . 5.500 4.175 4.175 4.175 . 0 0 "[ ]" 1
684 3 15 TRP HE1 3 54 PHE QD 4.500 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
685 3 15 TRP HE1 3 55 PHE HZ 5.500 . 6.000 5.635 5.635 5.635 . 0 0 "[ ]" 1
686 3 15 TRP HE1 3 55 PHE QE 5.500 . 6.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
687 3 15 TRP HH2 3 43 TRP HA 4.500 . 5.000 4.970 4.970 4.970 . 0 0 "[ ]" 1
688 3 15 TRP HH2 3 43 TRP HH2 5.500 . 6.000 5.557 5.557 5.557 . 0 0 "[ ]" 1
689 3 15 TRP HZ2 3 46 LEU MD2 4.500 . 5.500 2.250 2.250 2.250 . 0 0 "[ ]" 1
690 3 15 TRP HZ2 3 54 PHE HZ 4.500 . 5.000 3.001 3.001 3.001 . 0 0 "[ ]" 1
691 3 15 TRP HZ3 3 43 TRP HE1 4.500 . 5.000 4.666 4.666 4.666 . 0 0 "[ ]" 1
692 3 15 TRP HZ3 3 43 TRP HZ2 4.500 . 5.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
693 3 15 TRP HZ3 3 43 TRP HZ3 4.500 . 5.000 4.974 4.974 4.974 . 0 0 "[ ]" 1
694 3 19 GLN QB 3 39 LEU MD1 4.500 . 6.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
695 3 19 GLN QB 3 43 TRP HH2 5.500 . 6.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
696 3 19 GLN QG 3 39 LEU MD1 4.500 . 6.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
697 3 19 GLN QG 3 42 GLN QG 4.500 . 5.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
698 3 19 GLN QG 3 43 TRP HZ3 5.500 . 6.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
699 3 19 GLN QE 3 43 TRP HH2 4.500 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
700 3 20 ARG QG 3 35 ILE MG 5.500 . 6.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
701 3 21 ARG QD 3 28 PRO QD 6.500 . 7.000 7.089 7.089 7.089 0.089 1 0 "[ ]" 1
702 3 22 LYS QE 3 35 ILE HB 6.500 . 7.000 6.951 6.951 6.951 . 0 0 "[ ]" 1
703 3 22 LYS QE 3 39 LEU MD1 5.500 . 7.000 6.495 6.495 6.495 . 0 0 "[ ]" 1
704 3 23 MET QB 3 30 MET QG 4.500 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
705 3 23 MET ME 3 30 MET HA 5.500 . 6.500 5.273 5.273 5.273 . 0 0 "[ ]" 1
706 3 23 MET ME 3 34 GLU HA 5.500 . 6.500 5.925 5.925 5.925 . 0 0 "[ ]" 1
707 3 23 MET ME 3 34 GLU QB 4.500 . 5.500 3.739 3.739 3.739 . 0 0 "[ ]" 1
708 3 23 MET ME 3 34 GLU QG 4.500 . 5.500 5.432 5.432 5.432 . 0 0 "[ ]" 1
709 3 23 MET ME 3 35 ILE HA 4.500 . 5.500 3.144 3.144 3.144 . 0 0 "[ ]" 1
710 3 23 MET ME 3 35 ILE H 4.500 . 5.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
711 3 23 MET ME 3 35 ILE MD 5.500 . 7.000 5.160 5.160 5.160 . 0 0 "[ ]" 1
712 3 23 MET ME 3 38 GLN QB 5.500 . 6.500 3.602 3.602 3.602 . 0 0 "[ ]" 1
713 3 23 MET ME 3 38 GLN QG 3.000 . 4.000 3.040 3.040 3.040 . 0 0 "[ ]" 1
714 3 23 MET QG 3 28 PRO HA 5.500 . 6.000 5.290 5.290 5.290 . 0 0 "[ ]" 1
715 3 23 MET QG 3 28 PRO QD 5.500 . 6.000 5.539 5.539 5.539 . 0 0 "[ ]" 1
716 3 23 MET QG 3 30 MET QB 4.500 . 5.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
717 3 23 MET QG 3 34 GLU QB 5.500 . 6.000 5.320 5.320 5.320 . 0 0 "[ ]" 1
718 3 23 MET QG 3 35 ILE HB 4.500 . 5.000 2.336 2.336 2.336 . 0 0 "[ ]" 1
719 3 23 MET QG 3 35 ILE H 4.500 . 5.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
720 3 23 MET QG 3 35 ILE MD 4.500 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
721 3 24 ALA HA 3 35 ILE MG 6.500 . 7.000 6.550 6.550 6.550 . 0 0 "[ ]" 1
722 3 27 ASN QB 3 35 ILE MG 5.500 . 6.500 5.484 5.484 5.484 . 0 0 "[ ]" 1
723 3 27 ASN QD 3 34 GLU QB 5.500 . 6.000 6.133 6.133 6.133 0.133 1 0 "[ ]" 1
724 3 43 TRP HH2 3 54 PHE HZ 5.500 . 6.000 5.984 5.984 5.984 . 0 0 "[ ]" 1
725 3 43 TRP HZ3 3 50 GLU QB 5.500 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
726 3 46 LEU MD1 3 55 PHE HZ 5.500 . 6.500 4.304 4.304 4.304 . 0 0 "[ ]" 1
727 3 46 LEU MD2 3 55 PHE HZ 5.500 . 6.500 4.109 4.109 4.109 . 0 0 "[ ]" 1
728 3 57 GLU QB 3 64 MET ME 5.500 2.700 6.500 6.558 6.558 6.558 0.058 1 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 313
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 3.851
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0392
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0123
_Distance_constraint_stats_list.Viol_average_violations_only 0.0875
_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 0.444 0.124 1 0 "[ ]"
1 2 DC 0.174 0.099 1 0 "[ ]"
1 3 DA 0.575 0.143 1 0 "[ ]"
1 4 DC 0.371 0.143 1 0 "[ ]"
1 5 DA 0.153 0.089 1 0 "[ ]"
1 6 DA 0.292 0.145 1 0 "[ ]"
1 7 DA 0.839 0.292 1 0 "[ ]"
1 8 DC 1.128 0.292 1 0 "[ ]"
2 1 DG 0.208 0.164 1 0 "[ ]"
2 2 DT 0.501 0.194 1 0 "[ ]"
2 3 DT 0.468 0.194 1 0 "[ ]"
2 4 DT 0.042 0.042 1 0 "[ ]"
2 5 DG 0.372 0.186 1 0 "[ ]"
2 6 DT 0.351 0.186 1 0 "[ ]"
2 7 DG 0.147 0.128 1 0 "[ ]"
2 8 DC 0.028 0.028 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 1 DG H2'' 1 1 DG H5' 4.500 . 5.000 5.124 5.124 5.124 0.124 1 0 "[ ]" 2
2 1 1 DG H4' 1 1 DG H5' 2.000 . 2.500 2.562 2.562 2.562 0.062 1 0 "[ ]" 2
3 1 1 DG H3' 1 1 DG H5' 3.500 . 4.000 3.549 3.549 3.549 . 0 0 "[ ]" 2
4 1 1 DG H1' 1 1 DG H3' 3.500 . 4.000 4.022 4.022 4.022 0.022 1 0 "[ ]" 2
5 1 1 DG H2' 1 1 DG H3' 2.000 . 2.500 2.265 2.265 2.265 . 0 0 "[ ]" 2
6 1 1 DG H2'' 1 1 DG H3' 2.500 . 3.000 2.907 2.907 2.907 . 0 0 "[ ]" 2
7 1 1 DG H1' 1 1 DG H2' 3.000 . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 2
8 1 1 DG H2' 1 2 DC H1' 4.500 . 5.000 5.099 5.099 5.099 0.099 1 0 "[ ]" 2
9 1 1 DG H2' 1 2 DC H5 3.500 . 4.000 2.686 2.686 2.686 . 0 0 "[ ]" 2
10 1 1 DG H1' 1 2 DC H6 4.500 . 5.000 4.511 4.511 4.511 . 0 0 "[ ]" 2
11 1 1 DG H2' 1 2 DC H6 3.000 . 3.500 2.373 2.373 2.373 . 0 0 "[ ]" 2
12 1 1 DG H2'' 1 2 DC H6 3.000 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 2
13 1 1 DG H2' 1 1 DG H4' 3.500 . 4.000 4.000 4.000 4.000 0.000 1 0 "[ ]" 2
14 1 1 DG H2'' 1 1 DG H8 3.500 . 4.000 4.110 4.110 4.110 0.110 1 0 "[ ]" 2
15 1 1 DG H2' 1 1 DG H8 3.000 . 3.500 2.665 2.665 2.665 . 0 0 "[ ]" 2
16 1 1 DG H1' 1 1 DG H2'' 2.500 . 3.000 2.266 2.266 2.266 . 0 0 "[ ]" 2
17 1 1 DG H1' 1 1 DG H8 3.500 . 4.000 3.858 3.858 3.858 . 0 0 "[ ]" 2
18 1 1 DG H3' 1 1 DG H8 3.000 . 3.500 2.995 2.995 2.995 . 0 0 "[ ]" 2
19 1 1 DG H4' 1 1 DG H8 4.500 2.300 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 2
20 1 1 DG H2' 1 1 DG H5' 4.500 . 5.000 4.864 4.864 4.864 . 0 0 "[ ]" 2
21 1 1 DG H1' 1 2 DC H5 4.500 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 2
22 1 1 DG H8 1 2 DC H6 5.500 . 6.000 4.711 4.711 4.711 . 0 0 "[ ]" 2
23 1 1 DG H3' 1 1 DG H4' 2.500 . 3.000 2.951 2.951 2.951 . 0 0 "[ ]" 2
24 1 2 DC H3' 1 2 DC H4' 2.500 . 3.000 2.965 2.965 2.965 . 0 0 "[ ]" 2
25 1 2 DC H1' 1 2 DC H3' 3.500 . 4.000 3.980 3.980 3.980 . 0 0 "[ ]" 2
26 1 2 DC H1' 1 2 DC H4' 3.000 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 2
27 1 2 DC H2'' 1 2 DC H3' 3.000 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 2
28 1 2 DC H5 1 2 DC H6 2.000 . 2.500 2.459 2.459 2.459 . 0 0 "[ ]" 2
29 1 2 DC H1' 1 2 DC H2'' 2.500 . 3.000 2.277 2.277 2.277 . 0 0 "[ ]" 2
30 1 2 DC H1' 1 2 DC H2' 3.000 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 2
31 1 2 DC H3' 1 2 DC H6 3.000 . 3.500 3.142 3.142 3.142 . 0 0 "[ ]" 2
32 1 2 DC H2' 1 2 DC H6 2.500 . 3.000 2.546 2.546 2.546 . 0 0 "[ ]" 2
33 1 2 DC H2'' 1 2 DC H6 3.500 . 4.000 3.997 3.997 3.997 . 0 0 "[ ]" 2
34 1 2 DC H2'' 1 3 DA H8 3.500 . 4.000 2.902 2.902 2.902 . 0 0 "[ ]" 2
35 1 2 DC H2'' 1 2 DC H4' 3.500 . 4.000 3.437 3.437 3.437 . 0 0 "[ ]" 2
36 1 2 DC H2' 1 2 DC H3' 2.500 . 3.000 2.268 2.268 2.268 . 0 0 "[ ]" 2
37 1 2 DC H2' 1 2 DC H5 4.500 3.200 5.000 4.373 4.373 4.373 . 0 0 "[ ]" 2
38 1 2 DC H4' 1 2 DC H6 4.500 . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 2
39 1 2 DC H2' 1 3 DA H8 4.500 2.500 6.000 2.451 2.451 2.451 0.049 1 0 "[ ]" 2
40 1 2 DC H3' 1 3 DA H8 4.500 . 5.000 3.847 3.847 3.847 . 0 0 "[ ]" 2
41 1 2 DC H6 1 3 DA H8 5.500 . 6.000 4.706 4.706 4.706 . 0 0 "[ ]" 2
42 1 3 DA H3' 1 3 DA H5'' 3.500 . 4.000 2.693 2.693 2.693 . 0 0 "[ ]" 2
43 1 3 DA H3' 1 3 DA H5' 3.000 . 3.500 3.596 3.596 3.596 0.096 1 0 "[ ]" 2
44 1 3 DA H3' 1 3 DA H4' 2.500 . 3.000 2.948 2.948 2.948 . 0 0 "[ ]" 2
45 1 3 DA H1' 1 3 DA H3' 3.500 . 4.000 4.013 4.013 4.013 0.013 1 0 "[ ]" 2
46 1 3 DA H1' 1 3 DA H4' 3.500 . 4.000 3.372 3.372 3.372 . 0 0 "[ ]" 2
47 1 3 DA H2' 1 3 DA H3' 2.500 . 3.000 2.260 2.260 2.260 . 0 0 "[ ]" 2
48 1 3 DA H2'' 1 3 DA H3' 3.000 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 2
49 1 3 DA H1' 1 3 DA H2' 3.500 . 4.000 2.878 2.878 2.878 . 0 0 "[ ]" 2
50 1 3 DA H1' 1 3 DA H2'' 3.000 . 3.500 2.259 2.259 2.259 . 0 0 "[ ]" 2
51 1 3 DA H1' 1 3 DA H8 3.500 . 4.000 3.858 3.858 3.858 . 0 0 "[ ]" 2
52 1 3 DA H3' 1 3 DA H8 3.000 . 3.500 3.101 3.101 3.101 . 0 0 "[ ]" 2
53 1 3 DA H2' 1 3 DA H8 3.000 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 2
54 1 3 DA H2'' 1 3 DA H8 3.500 . 4.000 4.077 4.077 4.077 0.077 1 0 "[ ]" 2
55 1 3 DA H4' 1 3 DA H8 4.500 . 5.000 4.619 4.619 4.619 . 0 0 "[ ]" 2
56 1 3 DA H2'' 1 4 DC H6 3.500 . 4.000 2.314 2.314 2.314 . 0 0 "[ ]" 2
57 1 3 DA H8 1 4 DC H5 3.500 . 4.000 3.392 3.392 3.392 . 0 0 "[ ]" 2
58 1 3 DA H3' 1 4 DC H5 3.500 . 4.000 4.143 4.143 4.143 0.143 1 0 "[ ]" 2
59 1 3 DA H3' 1 4 DC H6 3.500 . 4.000 4.030 4.030 4.030 0.030 1 0 "[ ]" 2
60 1 3 DA H2' 1 4 DC H5 3.500 . 4.000 2.346 2.346 2.346 . 0 0 "[ ]" 2
61 1 3 DA H1' 1 4 DC H6 3.500 . 4.000 4.072 4.072 4.072 0.072 1 0 "[ ]" 2
62 1 3 DA H8 1 4 DC H6 5.500 . 6.000 4.731 4.731 4.731 . 0 0 "[ ]" 2
63 1 4 DC H3' 1 4 DC H4' 2.500 . 3.000 2.960 2.960 2.960 . 0 0 "[ ]" 2
64 1 4 DC H1' 1 4 DC H4' 3.000 . 3.500 3.226 3.226 3.226 . 0 0 "[ ]" 2
65 1 4 DC H2' 1 4 DC H3' 3.000 . 3.500 2.263 2.263 2.263 . 0 0 "[ ]" 2
66 1 4 DC H5 1 4 DC H6 2.000 . 2.500 2.464 2.464 2.464 . 0 0 "[ ]" 2
67 1 4 DC H2'' 1 4 DC H3' 3.000 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 2
68 1 4 DC H1' 1 4 DC H2'' 3.000 . 3.500 2.273 2.273 2.273 . 0 0 "[ ]" 2
69 1 4 DC H2'' 1 4 DC H6 3.500 . 4.000 4.062 4.062 4.062 0.062 1 0 "[ ]" 2
70 1 4 DC H2'' 1 5 DA H8 3.500 . 4.000 2.665 2.665 2.665 . 0 0 "[ ]" 2
71 1 4 DC H3' 1 4 DC H5 5.500 . 6.000 5.338 5.338 5.338 . 0 0 "[ ]" 2
72 1 4 DC H1' 1 4 DC H5 5.500 . 6.000 5.479 5.479 5.479 . 0 0 "[ ]" 2
73 1 4 DC H1' 1 4 DC H3' 3.500 . 4.000 4.000 4.000 4.000 . 0 0 "[ ]" 2
74 1 4 DC H1' 1 4 DC H2' 3.500 . 4.000 2.917 2.917 2.917 . 0 0 "[ ]" 2
75 1 4 DC H2' 1 4 DC H5 4.500 . 5.000 4.448 4.448 4.448 . 0 0 "[ ]" 2
76 1 4 DC H3' 1 4 DC H6 2.500 . 3.000 3.064 3.064 3.064 0.064 1 0 "[ ]" 2
77 1 4 DC H1' 1 4 DC H6 3.500 . 4.000 3.720 3.720 3.720 . 0 0 "[ ]" 2
78 1 4 DC H3' 1 5 DA H8 3.500 . 4.000 3.721 3.721 3.721 . 0 0 "[ ]" 2
79 1 4 DC H1' 1 5 DA H8 4.500 . 5.000 4.716 4.716 4.716 . 0 0 "[ ]" 2
80 1 4 DC H6 1 5 DA H8 5.500 . 6.000 5.060 5.060 5.060 . 0 0 "[ ]" 2
81 1 5 DA H2' 1 5 DA H2'' 3.000 . 3.500 1.785 1.785 1.785 . 0 0 "[ ]" 2
82 1 5 DA H1' 1 5 DA H4' 3.500 . 4.000 3.391 3.391 3.391 . 0 0 "[ ]" 2
83 1 5 DA H2' 1 5 DA H3' 3.500 . 4.000 2.984 2.984 2.984 . 0 0 "[ ]" 2
84 1 5 DA H2'' 1 5 DA H3' 2.500 . 3.000 2.297 2.297 2.297 . 0 0 "[ ]" 2
85 1 5 DA H1' 1 5 DA H2'' 3.000 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 2
86 1 5 DA H1' 1 5 DA H2' 3.000 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 2
87 1 5 DA H1' 1 5 DA H2 4.500 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 2
88 1 5 DA H3' 1 5 DA H8 4.500 . 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 2
89 1 5 DA H2'' 1 5 DA H8 3.500 . 4.000 4.064 4.064 4.064 0.064 1 0 "[ ]" 2
90 1 5 DA H2' 1 5 DA H8 3.500 . 4.000 2.581 2.581 2.581 . 0 0 "[ ]" 2
91 1 5 DA H1' 1 5 DA H3' 3.500 . 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 2
92 1 5 DA H4' 1 5 DA H8 4.500 . 5.000 4.745 4.745 4.745 . 0 0 "[ ]" 2
93 1 5 DA H1' 1 5 DA H8 3.500 . 4.000 3.871 3.871 3.871 . 0 0 "[ ]" 2
94 1 5 DA H1' 1 6 DA H5'' 5.500 . 6.000 6.089 6.089 6.089 0.089 1 0 "[ ]" 2
95 1 6 DA H1' 1 6 DA H3' 3.500 . 4.000 4.049 4.049 4.049 0.049 1 0 "[ ]" 2
96 1 6 DA H1' 1 6 DA H4' 3.500 . 4.000 3.540 3.540 3.540 . 0 0 "[ ]" 2
97 1 6 DA H1' 1 6 DA H5' 4.500 . 5.000 4.827 4.827 4.827 . 0 0 "[ ]" 2
98 1 6 DA H2' 1 6 DA H3' 2.500 . 3.000 2.268 2.268 2.268 . 0 0 "[ ]" 2
99 1 6 DA H2'' 1 6 DA H3' 3.000 . 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 2
100 1 6 DA H1' 1 6 DA H2'' 3.000 . 3.500 2.273 2.273 2.273 . 0 0 "[ ]" 2
101 1 6 DA H1' 1 6 DA H2' 3.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 2
102 1 6 DA H1' 1 6 DA H8 3.500 . 4.000 3.860 3.860 3.860 . 0 0 "[ ]" 2
103 1 6 DA H3' 1 6 DA H8 2.500 . 3.000 3.001 3.001 3.001 0.001 1 0 "[ ]" 2
104 1 6 DA H2'' 1 6 DA H8 4.500 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 2
105 1 6 DA H2' 1 6 DA H8 3.500 . 4.000 2.450 2.450 2.450 . 0 0 "[ ]" 2
106 1 6 DA H3' 1 6 DA H4' 2.500 . 3.000 2.917 2.917 2.917 . 0 0 "[ ]" 2
107 1 6 DA H1' 1 6 DA H2 5.500 . 6.000 4.557 4.557 4.557 . 0 0 "[ ]" 2
108 1 6 DA H4' 1 6 DA H8 4.500 . 5.000 4.574 4.574 4.574 . 0 0 "[ ]" 2
109 1 6 DA H2' 1 7 DA H3' 4.500 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 2
110 1 6 DA H2'' 1 7 DA H8 3.500 . 4.000 2.651 2.651 2.651 . 0 0 "[ ]" 2
111 1 6 DA H1' 1 7 DA H8 4.500 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 2
112 1 6 DA H8 1 7 DA H8 5.500 . 6.000 4.491 4.491 4.491 . 0 0 "[ ]" 2
113 1 7 DA H3' 1 7 DA H5' 3.500 . 4.000 3.603 3.603 3.603 . 0 0 "[ ]" 2
114 1 7 DA H1' 1 7 DA H3' 3.500 . 4.000 4.000 4.000 4.000 0.000 1 0 "[ ]" 2
115 1 7 DA H1' 1 7 DA H5' 4.500 . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 2
116 1 7 DA H2' 1 7 DA H3' 2.000 . 2.500 2.254 2.254 2.254 . 0 0 "[ ]" 2
117 1 7 DA H1' 1 7 DA H2'' 2.500 . 3.000 2.261 2.261 2.261 . 0 0 "[ ]" 2
118 1 7 DA H3' 1 7 DA H8 3.500 . 4.000 3.381 3.381 3.381 . 0 0 "[ ]" 2
119 1 7 DA H2' 1 7 DA H8 3.500 . 4.000 2.575 2.575 2.575 . 0 0 "[ ]" 2
120 1 7 DA H2' 1 8 DC H5 3.500 . 4.000 2.380 2.380 2.380 . 0 0 "[ ]" 2
121 1 7 DA H3' 1 8 DC H6 4.500 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 2
122 1 7 DA H1' 1 7 DA H2 5.500 . 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 2
123 1 7 DA H2'' 1 7 DA H8 4.500 . 5.000 4.060 4.060 4.060 . 0 0 "[ ]" 2
124 1 7 DA H1' 1 7 DA H8 3.500 . 4.000 3.847 3.847 3.847 . 0 0 "[ ]" 2
125 1 7 DA H2 1 8 DC H1' 4.500 . 5.000 5.090 5.090 5.090 0.090 1 0 "[ ]" 2
126 1 7 DA H2'' 1 8 DC H2' 5.500 . 6.000 5.225 5.225 5.225 . 0 0 "[ ]" 2
127 1 7 DA H3' 1 8 DC H5 3.500 . 4.000 4.292 4.292 4.292 0.292 1 0 "[ ]" 2
128 1 7 DA H2'' 1 8 DC H6 3.500 . 4.000 2.145 2.145 2.145 . 0 0 "[ ]" 2
129 1 7 DA H1' 1 8 DC H6 4.500 . 5.000 4.064 4.064 4.064 . 0 0 "[ ]" 2
130 1 7 DA H8 1 8 DC H5 3.500 . 4.000 3.969 3.969 3.969 . 0 0 "[ ]" 2
131 1 7 DA H2' 1 7 DA H5' 4.500 . 5.000 4.888 4.888 4.888 . 0 0 "[ ]" 2
132 1 7 DA H8 1 8 DC H6 4.500 . 5.000 5.262 5.262 5.262 0.262 1 0 "[ ]" 2
133 1 8 DC H1' 1 8 DC H5' 4.500 . 5.000 4.979 4.979 4.979 . 0 0 "[ ]" 2
134 1 8 DC H1' 1 8 DC H3' 3.500 . 4.000 3.962 3.962 3.962 . 0 0 "[ ]" 2
135 1 8 DC H2' 1 8 DC H3' 3.500 . 4.000 2.284 2.284 2.284 . 0 0 "[ ]" 2
136 1 8 DC H2'' 1 8 DC H3' 3.000 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 2
137 1 8 DC H5 1 8 DC H6 2.000 . 2.500 2.438 2.438 2.438 . 0 0 "[ ]" 2
138 1 8 DC H1' 1 8 DC H2' 3.000 . 3.500 2.848 2.848 2.848 . 0 0 "[ ]" 2
139 1 8 DC H1' 1 8 DC H2'' 2.500 . 3.000 2.278 2.278 2.278 . 0 0 "[ ]" 2
140 1 8 DC H1' 1 8 DC H6 3.500 . 4.000 3.632 3.632 3.632 . 0 0 "[ ]" 2
141 1 8 DC H3' 1 8 DC H6 2.500 . 3.000 3.098 3.098 3.098 0.098 1 0 "[ ]" 2
142 1 8 DC H2' 1 8 DC H6 3.500 . 4.000 3.415 3.415 3.415 . 0 0 "[ ]" 2
143 1 8 DC H2'' 1 8 DC H6 4.500 . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 2
144 1 8 DC H3' 1 8 DC H4' 3.500 . 4.000 2.990 2.990 2.990 . 0 0 "[ ]" 2
145 1 8 DC H3' 1 8 DC H5 4.500 . 5.000 5.155 5.155 5.155 0.155 1 0 "[ ]" 2
146 1 8 DC H1' 1 8 DC H4' 3.500 . 4.000 3.292 3.292 3.292 . 0 0 "[ ]" 2
147 1 8 DC H2' 1 8 DC H5 5.500 . 6.000 4.990 4.990 4.990 . 0 0 "[ ]" 2
148 1 8 DC H4' 1 8 DC H6 3.500 . 4.000 4.105 4.105 4.105 0.105 1 0 "[ ]" 2
149 1 8 DC H2' 1 8 DC H5' 5.500 . 6.000 5.301 5.301 5.301 . 0 0 "[ ]" 2
150 1 8 DC H2'' 1 8 DC H5' 4.500 . 5.000 5.127 5.127 5.127 0.127 1 0 "[ ]" 2
151 1 8 DC H3' 1 8 DC H5' 3.500 . 4.000 3.599 3.599 3.599 . 0 0 "[ ]" 2
152 2 1 DG H3' 2 1 DG H5' 4.500 . 5.000 4.220 4.220 4.220 . 0 0 "[ ]" 2
153 2 1 DG H1' 2 1 DG H3' 3.500 . 4.000 3.193 3.193 3.193 . 0 0 "[ ]" 2
154 2 1 DG H1' 2 1 DG H4' 3.500 . 4.000 3.523 3.523 3.523 . 0 0 "[ ]" 2
155 2 1 DG H2'' 2 1 DG H4' 3.500 . 4.000 3.926 3.926 3.926 . 0 0 "[ ]" 2
156 2 1 DG H2' 2 1 DG H3' 2.500 . 3.000 2.990 2.990 2.990 . 0 0 "[ ]" 2
157 2 1 DG H2' 2 2 DT M7 3.000 . 4.000 2.914 2.914 2.914 . 0 0 "[ ]" 2
158 2 1 DG H3' 2 2 DT M7 4.500 . 5.500 5.454 5.454 5.454 . 0 0 "[ ]" 2
159 2 1 DG H1' 2 2 DT H6 4.500 . 5.000 4.827 4.827 4.827 . 0 0 "[ ]" 2
160 2 1 DG H2' 2 2 DT H6 2.500 . 3.000 2.730 2.730 2.730 . 0 0 "[ ]" 2
161 2 1 DG H2' 2 1 DG H4' 3.500 . 4.000 3.969 3.969 3.969 . 0 0 "[ ]" 2
162 2 1 DG H3' 2 1 DG H4' 2.500 . 3.000 2.279 2.279 2.279 . 0 0 "[ ]" 2
163 2 1 DG H2'' 2 1 DG H8 4.500 . 5.000 4.199 4.199 4.199 . 0 0 "[ ]" 2
164 2 1 DG H1' 2 1 DG H2'' 2.500 . 3.000 2.291 2.291 2.291 . 0 0 "[ ]" 2
165 2 1 DG H4' 2 1 DG H8 4.500 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 2
166 2 1 DG H3' 2 1 DG H8 4.500 . 5.000 4.892 4.892 4.892 . 0 0 "[ ]" 2
167 2 1 DG H1' 2 1 DG H8 3.500 . 4.000 3.868 3.868 3.868 . 0 0 "[ ]" 2
168 2 1 DG H2' 2 2 DT H3' 4.500 . 5.000 4.834 4.834 4.834 . 0 0 "[ ]" 2
169 2 1 DG H2'' 2 2 DT H6 3.500 . 4.000 3.082 3.082 3.082 . 0 0 "[ ]" 2
170 2 1 DG H8 2 2 DT M7 3.500 . 4.500 3.153 3.153 3.153 . 0 0 "[ ]" 2
171 2 2 DT H1' 2 2 DT H5' 4.500 . 5.000 4.816 4.816 4.816 . 0 0 "[ ]" 2
172 2 2 DT H3' 2 2 DT M7 3.500 . 4.500 4.474 4.474 4.474 . 0 0 "[ ]" 2
173 2 2 DT H2'' 2 2 DT H3' 3.000 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 2
174 2 2 DT H1' 2 2 DT H2'' 3.000 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 2
175 2 2 DT H1' 2 2 DT H2' 3.000 . 3.500 2.894 2.894 2.894 . 0 0 "[ ]" 2
176 2 2 DT H1' 2 2 DT H6 3.500 . 4.000 3.710 3.710 3.710 . 0 0 "[ ]" 2
177 2 2 DT H3' 2 2 DT H6 2.500 . 3.000 2.988 2.988 2.988 . 0 0 "[ ]" 2
178 2 2 DT H4' 2 2 DT H6 4.500 . 5.000 4.223 4.223 4.223 . 0 0 "[ ]" 2
179 2 2 DT H2'' 2 2 DT H6 4.500 . 5.000 4.183 4.183 4.183 . 0 0 "[ ]" 2
180 2 2 DT H6 2 2 DT M7 2.000 . 3.000 2.256 2.256 2.256 . 0 0 "[ ]" 2
181 2 2 DT H3' 2 3 DT M7 3.000 . 4.000 3.231 3.231 3.231 . 0 0 "[ ]" 2
182 2 2 DT H6 2 3 DT M7 3.000 . 4.000 3.583 3.583 3.583 . 0 0 "[ ]" 2
183 2 2 DT H2' 2 3 DT H6 3.500 . 4.000 2.569 2.569 2.569 . 0 0 "[ ]" 2
184 2 2 DT H1' 2 2 DT H3' 3.500 . 4.000 3.992 3.992 3.992 . 0 0 "[ ]" 2
185 2 2 DT H2' 2 2 DT H6 3.500 . 4.000 2.923 2.923 2.923 . 0 0 "[ ]" 2
186 2 2 DT H2' 2 3 DT M7 3.000 . 4.000 2.306 2.306 2.306 . 0 0 "[ ]" 2
187 2 2 DT M7 2 3 DT M7 3.500 . 4.000 3.451 3.451 3.451 . 0 0 "[ ]" 2
188 2 2 DT H1' 2 3 DT H6 4.500 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 2
189 2 3 DT H1' 2 3 DT H2'' 3.000 . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 2
190 2 3 DT H1' 2 3 DT H2' 3.000 . 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 2
191 2 3 DT H3' 2 3 DT H6 2.500 . 3.000 2.815 2.815 2.815 . 0 0 "[ ]" 2
192 2 3 DT H6 2 3 DT M7 2.000 . 3.000 2.260 2.260 2.260 . 0 0 "[ ]" 2
193 2 3 DT H2' 2 3 DT H6 3.500 . 4.000 2.943 2.943 2.943 . 0 0 "[ ]" 2
194 2 3 DT M7 2 4 DT M7 3.500 . 5.000 2.534 2.534 2.534 . 0 0 "[ ]" 2
195 2 3 DT H3' 2 4 DT M7 3.000 . 3.500 3.077 3.077 3.077 . 0 0 "[ ]" 2
196 2 3 DT H6 2 4 DT M7 3.500 . 4.500 3.152 3.152 3.152 . 0 0 "[ ]" 2
197 2 3 DT H1' 2 3 DT H3' 3.500 . 4.000 3.986 3.986 3.986 . 0 0 "[ ]" 2
198 2 3 DT H2'' 2 3 DT H6 4.500 . 5.000 4.159 4.159 4.159 . 0 0 "[ ]" 2
199 2 3 DT H2' 2 3 DT H3' 3.500 . 4.000 2.276 2.276 2.276 . 0 0 "[ ]" 2
200 2 3 DT H2'' 2 3 DT H3' 3.500 . 4.000 2.947 2.947 2.947 . 0 0 "[ ]" 2
201 2 3 DT H1' 2 3 DT M7 4.500 . 5.500 5.191 5.191 5.191 . 0 0 "[ ]" 2
202 2 3 DT H1' 2 3 DT H6 3.500 . 4.000 3.698 3.698 3.698 . 0 0 "[ ]" 2
203 2 3 DT H4' 2 3 DT H6 3.500 . 4.000 4.128 4.128 4.128 0.128 1 0 "[ ]" 2
204 2 3 DT H2' 2 4 DT M7 3.500 . 4.500 3.244 3.244 3.244 . 0 0 "[ ]" 2
205 2 3 DT H1' 2 3 DT H5' 4.500 . 5.000 4.689 4.689 4.689 . 0 0 "[ ]" 2
206 2 4 DT H2'' 2 4 DT H3' 3.000 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 2
207 2 4 DT H1' 2 4 DT H2'' 3.000 . 3.500 2.277 2.277 2.277 . 0 0 "[ ]" 2
208 2 4 DT H1' 2 4 DT H6 3.500 . 4.000 3.741 3.741 3.741 . 0 0 "[ ]" 2
209 2 4 DT H3' 2 4 DT H6 3.000 . 3.500 3.258 3.258 3.258 . 0 0 "[ ]" 2
210 2 4 DT H6 2 4 DT M7 2.500 . 3.500 2.259 2.259 2.259 . 0 0 "[ ]" 2
211 2 4 DT H2'' 2 4 DT H6 4.500 . 5.000 3.961 3.961 3.961 . 0 0 "[ ]" 2
212 2 4 DT H3' 2 5 DG H8 3.500 . 4.000 3.885 3.885 3.885 . 0 0 "[ ]" 2
213 2 4 DT H2'' 2 5 DG H8 3.500 . 4.000 2.454 2.454 2.454 . 0 0 "[ ]" 2
214 2 4 DT H2' 2 4 DT M7 5.500 . 6.500 4.036 4.036 4.036 . 0 0 "[ ]" 2
215 2 4 DT H1' 2 4 DT H3' 3.500 . 4.000 3.969 3.969 3.969 . 0 0 "[ ]" 2
216 2 4 DT H1' 2 4 DT H4' 3.500 . 4.000 3.076 3.076 3.076 . 0 0 "[ ]" 2
217 2 4 DT H2' 2 4 DT H6 3.500 . 4.000 2.476 2.476 2.476 . 0 0 "[ ]" 2
218 2 4 DT H1' 2 4 DT H2' 3.500 . 4.000 2.949 2.949 2.949 . 0 0 "[ ]" 2
219 2 4 DT H2' 2 5 DG H8 3.500 . 4.000 2.655 2.655 2.655 . 0 0 "[ ]" 2
220 2 4 DT H1' 2 5 DG H8 4.500 . 5.000 4.584 4.584 4.584 . 0 0 "[ ]" 2
221 2 4 DT H1' 2 4 DT H5' 4.500 . 5.000 4.663 4.663 4.663 . 0 0 "[ ]" 2
222 2 4 DT H6 2 5 DG H8 4.500 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 2
223 2 5 DG H3' 2 5 DG H4' 3.000 . 3.500 2.890 2.890 2.890 . 0 0 "[ ]" 2
224 2 5 DG H1' 2 5 DG H4' 3.000 . 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 2
225 2 5 DG H1' 2 5 DG H3' 3.500 . 4.000 4.019 4.019 4.019 0.019 1 0 "[ ]" 2
226 2 5 DG H2' 2 5 DG H3' 3.000 . 3.500 2.259 2.259 2.259 . 0 0 "[ ]" 2
227 2 5 DG H1' 2 5 DG H2'' 3.000 . 3.500 2.265 2.265 2.265 . 0 0 "[ ]" 2
228 2 5 DG H1' 2 5 DG H2' 3.000 . 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 2
229 2 5 DG H2' 2 5 DG H8 3.500 . 4.000 2.517 2.517 2.517 . 0 0 "[ ]" 2
230 2 5 DG H2' 2 6 DT M7 3.500 . 4.500 2.198 2.198 2.198 . 0 0 "[ ]" 2
231 2 5 DG H8 2 6 DT M7 3.000 . 4.000 3.061 3.061 3.061 . 0 0 "[ ]" 2
232 2 5 DG H2'' 2 5 DG H8 3.500 . 4.000 4.056 4.056 4.056 0.056 1 0 "[ ]" 2
233 2 5 DG H3' 2 5 DG H8 4.500 . 5.000 3.562 3.562 3.562 . 0 0 "[ ]" 2
234 2 5 DG H1' 2 5 DG H8 3.500 . 4.000 3.865 3.865 3.865 . 0 0 "[ ]" 2
235 2 5 DG H2'' 2 6 DT H6 4.500 2.500 6.000 2.431 2.431 2.431 0.069 1 0 "[ ]" 2
236 2 5 DG H1' 2 6 DT H6 3.500 . 4.000 4.186 4.186 4.186 0.186 1 0 "[ ]" 2
237 2 5 DG H1' 2 5 DG H5' 4.500 . 5.000 4.643 4.643 4.643 . 0 0 "[ ]" 2
238 2 5 DG H8 2 6 DT H6 5.500 . 6.000 4.876 4.876 4.876 . 0 0 "[ ]" 2
239 2 6 DT H1' 2 6 DT H3' 3.500 . 4.000 3.965 3.965 3.965 . 0 0 "[ ]" 2
240 2 6 DT H1' 2 6 DT H4' 3.000 . 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 2
241 2 6 DT H2'' 2 6 DT H3' 3.000 . 3.500 2.905 2.905 2.905 . 0 0 "[ ]" 2
242 2 6 DT H1' 2 6 DT H2' 3.500 . 4.000 2.938 2.938 2.938 . 0 0 "[ ]" 2
243 2 6 DT H1' 2 6 DT H2'' 3.000 . 3.500 2.275 2.275 2.275 . 0 0 "[ ]" 2
244 2 6 DT H3' 2 6 DT H6 3.000 . 3.500 3.149 3.149 3.149 . 0 0 "[ ]" 2
245 2 6 DT H2'' 2 6 DT H6 3.500 . 4.000 3.987 3.987 3.987 . 0 0 "[ ]" 2
246 2 6 DT H2' 2 6 DT H6 2.500 . 3.000 2.513 2.513 2.513 . 0 0 "[ ]" 2
247 2 6 DT H6 2 6 DT M7 2.500 . 3.000 2.314 2.314 2.314 . 0 0 "[ ]" 2
248 2 6 DT H1' 2 7 DG H8 4.500 . 5.000 4.667 4.667 4.667 . 0 0 "[ ]" 2
249 2 6 DT H2'' 2 7 DG H8 3.500 . 4.000 2.800 2.800 2.800 . 0 0 "[ ]" 2
250 2 6 DT H2' 2 6 DT M7 5.500 . 6.000 3.980 3.980 3.980 . 0 0 "[ ]" 2
251 2 6 DT H3' 2 6 DT H4' 2.500 . 3.000 2.979 2.979 2.979 . 0 0 "[ ]" 2
252 2 6 DT H2' 2 6 DT H3' 3.500 . 4.000 2.264 2.264 2.264 . 0 0 "[ ]" 2
253 2 6 DT H3' 2 6 DT M7 4.500 . 5.500 4.714 4.714 4.714 . 0 0 "[ ]" 2
254 2 6 DT H4' 2 6 DT H6 4.500 . 5.000 4.493 4.493 4.493 . 0 0 "[ ]" 2
255 2 6 DT H1' 2 6 DT H6 3.500 2.200 4.000 3.758 3.758 3.758 . 0 0 "[ ]" 2
256 2 6 DT H3' 2 7 DG H8 3.500 . 4.000 3.851 3.851 3.851 . 0 0 "[ ]" 2
257 2 6 DT H6 2 7 DG H8 4.500 . 5.000 4.477 4.477 4.477 . 0 0 "[ ]" 2
258 2 7 DG H2'' 2 7 DG H5' 4.500 . 5.000 5.128 5.128 5.128 0.128 1 0 "[ ]" 2
259 2 7 DG H3' 2 7 DG H5' 3.500 . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 2
260 2 7 DG H3' 2 7 DG H4' 2.500 . 3.000 2.947 2.947 2.947 . 0 0 "[ ]" 2
261 2 7 DG H1' 2 7 DG H3' 3.500 . 4.000 4.020 4.020 4.020 0.020 1 0 "[ ]" 2
262 2 7 DG H1' 2 7 DG H4' 3.500 . 4.000 3.345 3.345 3.345 . 0 0 "[ ]" 2
263 2 7 DG H1' 2 7 DG H5' 4.500 . 5.000 4.567 4.567 4.567 . 0 0 "[ ]" 2
264 2 7 DG H2' 2 7 DG H4' 3.500 . 4.000 3.962 3.962 3.962 . 0 0 "[ ]" 2
265 2 7 DG H2' 2 7 DG H3' 3.000 . 3.500 2.270 2.270 2.270 . 0 0 "[ ]" 2
266 2 7 DG H2'' 2 7 DG H3' 3.000 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 2
267 2 7 DG H1' 2 7 DG H2'' 3.000 . 3.500 2.273 2.273 2.273 . 0 0 "[ ]" 2
268 2 7 DG H1' 2 7 DG H2' 3.000 . 3.500 2.871 2.871 2.871 . 0 0 "[ ]" 2
269 2 7 DG H3' 2 7 DG H8 3.500 . 4.000 3.038 3.038 3.038 . 0 0 "[ ]" 2
270 2 7 DG H2'' 2 7 DG H8 4.500 . 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 2
271 2 7 DG H2' 2 7 DG H8 2.500 . 3.000 2.745 2.745 2.745 . 0 0 "[ ]" 2
272 2 7 DG H2'' 2 8 DC H6 3.000 . 3.500 2.629 2.629 2.629 . 0 0 "[ ]" 2
273 2 7 DG H1' 2 8 DC H6 4.500 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 2
274 2 7 DG H2' 2 8 DC H6 3.500 . 4.000 2.381 2.381 2.381 . 0 0 "[ ]" 2
275 2 7 DG H1' 2 7 DG H8 3.500 . 4.000 3.855 3.855 3.855 . 0 0 "[ ]" 2
276 2 7 DG H3' 2 8 DC H5 4.500 . 5.000 4.071 4.071 4.071 . 0 0 "[ ]" 2
277 2 7 DG H2'' 2 8 DC H5 3.500 . 4.000 3.829 3.829 3.829 . 0 0 "[ ]" 2
278 2 7 DG H2' 2 8 DC H5 3.500 . 4.000 2.348 2.348 2.348 . 0 0 "[ ]" 2
279 2 7 DG H8 2 8 DC H5 3.500 . 4.000 3.504 3.504 3.504 . 0 0 "[ ]" 2
280 2 7 DG H8 2 8 DC H6 4.500 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 2
281 2 8 DC H1' 2 8 DC H3' 3.500 . 4.000 3.985 3.985 3.985 . 0 0 "[ ]" 2
282 2 8 DC H2' 2 8 DC H5'' 4.500 . 5.000 4.741 4.741 4.741 . 0 0 "[ ]" 2
283 2 8 DC H2' 2 8 DC H3' 2.500 . 3.000 2.278 2.278 2.278 . 0 0 "[ ]" 2
284 2 8 DC H5 2 8 DC H6 2.000 . 2.500 2.458 2.458 2.458 . 0 0 "[ ]" 2
285 2 8 DC H1' 2 8 DC H2'' 2.000 . 2.500 2.276 2.276 2.276 . 0 0 "[ ]" 2
286 2 8 DC H3' 2 8 DC H6 3.000 . 3.500 2.792 2.792 2.792 . 0 0 "[ ]" 2
287 2 8 DC H2' 2 8 DC H6 2.500 . 3.000 2.777 2.777 2.777 . 0 0 "[ ]" 2
288 2 8 DC H1' 2 8 DC H4' 3.500 . 4.000 3.208 3.208 3.208 . 0 0 "[ ]" 2
289 2 8 DC H3' 2 8 DC H5 4.500 . 5.000 5.028 5.028 5.028 0.028 1 0 "[ ]" 2
290 2 8 DC H2' 2 8 DC H5 4.500 . 5.000 4.470 4.470 4.470 . 0 0 "[ ]" 2
291 2 8 DC H1' 2 8 DC H2' 2.500 . 3.000 2.889 2.889 2.889 . 0 0 "[ ]" 2
292 2 8 DC H4' 2 8 DC H6 4.500 . 5.000 4.227 4.227 4.227 . 0 0 "[ ]" 2
293 2 8 DC H1' 2 8 DC H6 3.500 . 4.000 3.729 3.729 3.729 . 0 0 "[ ]" 2
294 1 1 DG H1 2 7 DG H1 3.500 . 4.000 3.777 3.777 3.777 . 0 0 "[ ]" 2
295 1 3 DA H2 2 5 DG H1 3.000 2.500 5.000 4.959 4.959 4.959 . 0 0 "[ ]" 2
296 1 3 DA H2 2 6 DT H3 2.500 . 3.000 3.096 3.096 3.096 0.096 1 0 "[ ]" 2
297 1 3 DA H2 2 7 DG H1 3.000 2.500 5.000 4.875 4.875 4.875 . 0 0 "[ ]" 2
298 1 5 DA H2 2 3 DT H3 4.500 . 5.500 5.481 5.481 5.481 . 0 0 "[ ]" 2
299 1 5 DA H2 2 4 DT H3 2.500 . 3.000 2.847 2.847 2.847 . 0 0 "[ ]" 2
300 1 5 DA H2 2 5 DG H1 3.000 2.500 5.000 4.730 4.730 4.730 . 0 0 "[ ]" 2
301 1 5 DA H2 1 6 DA H2 5.500 . 6.000 5.217 5.217 5.217 . 0 0 "[ ]" 2
302 1 6 DA H2 2 3 DT H3 2.500 . 3.000 3.145 3.145 3.145 0.145 1 0 "[ ]" 2
303 1 6 DA H2 1 7 DA H2 4.500 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 2
304 1 7 DA H2 2 2 DT H3 2.500 . 3.000 3.143 3.143 3.143 0.143 1 0 "[ ]" 2
305 1 7 DA H2 2 3 DT H3 4.500 . 5.000 4.667 4.667 4.667 . 0 0 "[ ]" 2
306 1 7 DA H2 2 1 DG H1 4.500 . 5.000 5.044 5.044 5.044 0.044 1 0 "[ ]" 2
307 2 1 DG H1 2 2 DT H3 3.500 . 4.000 4.164 4.164 4.164 0.164 1 0 "[ ]" 2
308 2 2 DT H3 2 3 DT H3 3.500 . 4.000 4.194 4.194 4.194 0.194 1 0 "[ ]" 2
309 2 3 DT H3 2 4 DT H3 4.500 . 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 2
310 2 4 DT H3 2 5 DG H1 4.500 . 5.000 4.773 4.773 4.773 . 0 0 "[ ]" 2
311 2 5 DG H1 2 6 DT H3 3.500 . 4.000 3.865 3.865 3.865 . 0 0 "[ ]" 2
312 2 6 DT H3 2 6 DT M7 4.500 . 5.000 4.133 4.133 4.133 . 0 0 "[ ]" 2
313 2 6 DT H3 2 7 DG H1 4.500 . 5.000 4.073 4.073 4.073 . 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 75
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.800
_Distance_constraint_stats_list.Viol_max 0.287
_Distance_constraint_stats_list.Viol_rms 0.0409
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.1000
_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 DA 0.000 0.000 . 0 "[ ]"
1 4 DC 0.053 0.053 1 0 "[ ]"
1 5 DA 0.000 0.000 . 0 "[ ]"
1 6 DA 0.070 0.070 1 0 "[ ]"
1 7 DA 0.000 0.000 . 0 "[ ]"
1 8 DC 0.042 0.042 1 0 "[ ]"
2 1 DG 0.121 0.121 1 0 "[ ]"
2 2 DT 0.000 0.000 . 0 "[ ]"
2 3 DT 0.287 0.287 1 0 "[ ]"
2 4 DT 0.034 0.034 1 0 "[ ]"
2 5 DG 0.000 0.000 . 0 "[ ]"
2 6 DT 0.044 0.044 1 0 "[ ]"
2 7 DG 0.000 0.000 . 0 "[ ]"
2 8 DC 0.149 0.149 1 0 "[ ]"
3 4 ARG 0.000 0.000 . 0 "[ ]"
3 7 ARG 0.000 0.000 . 0 "[ ]"
3 9 MET 0.000 0.000 . 0 "[ ]"
3 10 ASN 0.044 0.044 1 0 "[ ]"
3 11 ALA 0.000 0.000 . 0 "[ ]"
3 12 PHE 0.000 0.000 . 0 "[ ]"
3 13 ILE 0.287 0.287 1 0 "[ ]"
3 17 ARG 0.070 0.070 1 0 "[ ]"
3 20 ARG 0.000 0.000 . 0 "[ ]"
3 24 ALA 0.000 0.000 . 0 "[ ]"
3 33 SER 0.121 0.121 1 0 "[ ]"
3 35 ILE 0.042 0.042 1 0 "[ ]"
3 36 SER 0.000 0.000 . 0 "[ ]"
3 37 LYS 0.000 0.000 . 0 "[ ]"
3 43 TRP 0.034 0.034 1 0 "[ ]"
3 66 ARG 0.000 0.000 . 0 "[ ]"
3 73 LYS 0.149 0.149 1 0 "[ ]"
3 74 TYR 0.053 0.053 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 3 DA H4' 3 4 ARG QG 4.500 . 5.000 4.483 4.483 4.483 . 0 0 "[ ]" 3
2 1 3 DA H2'' 3 4 ARG QG 4.500 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 3
3 1 4 DC H4' 3 7 ARG QG 4.500 . 5.000 4.618 4.618 4.618 . 0 0 "[ ]" 3
4 1 4 DC H4' 3 7 ARG QD 4.500 . 5.000 3.146 3.146 3.146 . 0 0 "[ ]" 3
5 1 5 DA H2'' 3 9 MET HA 5.500 . 6.000 5.281 5.281 5.281 . 0 0 "[ ]" 3
6 1 6 DA H3' 3 9 MET ME 4.500 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 3
7 1 6 DA H4' 3 9 MET ME 2.800 . 3.800 2.432 2.432 2.432 . 0 0 "[ ]" 3
8 2 6 DT H4' 3 10 ASN QB 5.500 2.700 6.000 6.044 6.044 6.044 0.044 1 0 "[ ]" 3
9 2 5 DG H4' 3 10 ASN QB 5.500 . 6.000 4.730 4.730 4.730 . 0 0 "[ ]" 3
10 2 5 DG H2'' 3 10 ASN QB 5.500 . 6.000 5.005 5.005 5.005 . 0 0 "[ ]" 3
11 1 5 DA H2 3 10 ASN QD 4.500 . 5.000 4.877 4.877 4.877 . 0 0 "[ ]" 3
12 1 5 DA H1' 3 10 ASN QD 5.500 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 3
13 2 5 DG H5'' 3 11 ALA MB 5.500 . 6.500 4.733 4.733 4.733 . 0 0 "[ ]" 3
14 2 5 DG H4' 3 11 ALA MB 5.500 . 6.500 3.067 3.067 3.067 . 0 0 "[ ]" 3
15 2 4 DT H1' 3 12 PHE QB 4.500 . 5.000 2.974 2.974 2.974 . 0 0 "[ ]" 3
16 2 3 DT H2' 3 12 PHE HZ 4.000 . 6.000 4.203 4.203 4.203 . 0 0 "[ ]" 3
17 1 6 DA H2 3 12 PHE HZ 4.000 . 6.000 4.804 4.804 4.804 . 0 0 "[ ]" 3
18 2 5 DG H5' 3 12 PHE HA 5.500 . 6.000 4.377 4.377 4.377 . 0 0 "[ ]" 3
19 2 5 DG H1' 3 12 PHE QD 5.500 . 6.000 5.945 5.945 5.945 . 0 0 "[ ]" 3
20 1 5 DA H2 3 13 ILE MD 2.800 . 3.800 2.463 2.463 2.463 . 0 0 "[ ]" 3
21 1 5 DA H2 3 13 ILE MG 4.500 . 5.500 5.305 5.305 5.305 . 0 0 "[ ]" 3
22 1 5 DA H1' 3 13 ILE MG 5.500 2.700 6.500 4.738 4.738 4.738 . 0 0 "[ ]" 3
23 1 5 DA H2'' 3 13 ILE MG 5.500 2.700 6.500 4.195 4.195 4.195 . 0 0 "[ ]" 3
24 1 5 DA H2 3 13 ILE QG 4.500 . 5.000 3.111 3.111 3.111 . 0 0 "[ ]" 3
25 1 6 DA H2 3 13 ILE MD 2.800 . 3.800 3.468 3.468 3.468 . 0 0 "[ ]" 3
26 1 6 DA H3' 3 13 ILE MG 5.500 . 6.500 5.453 5.453 5.453 . 0 0 "[ ]" 3
27 1 6 DA H2 3 13 ILE MG 4.500 . 5.500 4.293 4.293 4.293 . 0 0 "[ ]" 3
28 1 6 DA H4' 3 13 ILE MG 4.500 . 5.500 3.716 3.716 3.716 . 0 0 "[ ]" 3
29 1 6 DA H1' 3 13 ILE MG 3.000 . 4.000 2.900 2.900 2.900 . 0 0 "[ ]" 3
30 1 6 DA H8 3 13 ILE MG 5.500 . 6.500 5.161 5.161 5.161 . 0 0 "[ ]" 3
31 1 5 DA H2 3 13 ILE HB 3.000 2.500 5.000 4.764 4.764 4.764 . 0 0 "[ ]" 3
32 1 5 DA H3' 3 13 ILE HB 6.500 2.700 7.000 6.462 6.462 6.462 . 0 0 "[ ]" 3
33 2 3 DT H3 3 13 ILE MD 4.000 . 4.500 4.787 4.787 4.787 0.287 1 0 "[ ]" 3
34 2 4 DT H3 3 13 ILE MD 4.000 . 4.500 4.375 4.375 4.375 . 0 0 "[ ]" 3
35 2 4 DT H3 3 13 ILE QG 5.500 . 6.000 4.781 4.781 4.781 . 0 0 "[ ]" 3
36 1 6 DA H4' 3 17 ARG HA 5.500 . 6.500 6.570 6.570 6.570 0.070 1 0 "[ ]" 3
37 1 7 DA H5' 3 17 ARG HA 4.500 . 5.000 4.953 4.953 4.953 . 0 0 "[ ]" 3
38 1 6 DA H4' 3 17 ARG QD 4.500 . 5.000 3.599 3.599 3.599 . 0 0 "[ ]" 3
39 1 6 DA H3' 3 17 ARG QD 5.500 . 6.000 5.898 5.898 5.898 . 0 0 "[ ]" 3
40 1 7 DA H4' 3 20 ARG QG 4.500 . 5.000 4.758 4.758 4.758 . 0 0 "[ ]" 3
41 1 7 DA H1' 3 20 ARG QB 5.500 2.700 6.000 5.287 5.287 5.287 . 0 0 "[ ]" 3
42 1 7 DA H4' 3 24 ALA MB 5.500 . 6.500 6.406 6.406 6.406 . 0 0 "[ ]" 3
43 1 8 DC H1' 3 24 ALA MB 5.500 . 6.500 6.242 6.242 6.242 . 0 0 "[ ]" 3
44 1 8 DC H5' 3 24 ALA MB 3.500 2.400 4.500 3.472 3.472 3.472 . 0 0 "[ ]" 3
45 1 8 DC H4' 3 24 ALA MB 4.500 . 5.500 3.627 3.627 3.627 . 0 0 "[ ]" 3
46 2 1 DG H1' 3 33 SER QB 3.500 . 4.000 4.121 4.121 4.121 0.121 1 0 "[ ]" 3
47 2 2 DT H1' 3 33 SER QB 3.500 . 4.000 3.250 3.250 3.250 . 0 0 "[ ]" 3
48 1 8 DC H2'' 3 35 ILE MD 4.500 . 5.500 5.542 5.542 5.542 0.042 1 0 "[ ]" 3
49 1 8 DC H1' 3 35 ILE MD 4.500 . 5.500 4.046 4.046 4.046 . 0 0 "[ ]" 3
50 1 8 DC H1' 3 35 ILE MG 4.500 . 6.000 3.118 3.118 3.118 . 0 0 "[ ]" 3
51 2 2 DT H1' 3 36 SER HA 5.500 . 6.000 5.828 5.828 5.828 . 0 0 "[ ]" 3
52 2 2 DT H1' 3 36 SER QB 4.500 . 5.000 3.399 3.399 3.399 . 0 0 "[ ]" 3
53 2 3 DT H1' 3 36 SER HA 4.500 . 5.000 3.733 3.733 3.733 . 0 0 "[ ]" 3
54 2 3 DT H5' 3 37 LYS QD 5.500 . 6.000 3.772 3.772 3.772 . 0 0 "[ ]" 3
55 2 3 DT H5' 3 37 LYS QG 4.500 . 5.000 4.320 4.320 4.320 . 0 0 "[ ]" 3
56 2 3 DT H4' 3 37 LYS QG 4.500 . 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 3
57 2 3 DT H2'' 3 43 TRP HE1 5.500 . 6.000 4.324 4.324 4.324 . 0 0 "[ ]" 3
58 2 4 DT H3' 3 43 TRP HE1 5.500 . 7.000 5.309 5.309 5.309 . 0 0 "[ ]" 3
59 2 4 DT H5' 3 43 TRP HE1 4.500 . 5.000 3.162 3.162 3.162 . 0 0 "[ ]" 3
60 2 4 DT H4' 3 43 TRP HE1 4.500 . 5.000 2.434 2.434 2.434 . 0 0 "[ ]" 3
61 2 4 DT H5' 3 43 TRP HD1 5.500 . 6.000 2.983 2.983 2.983 . 0 0 "[ ]" 3
62 2 4 DT H3' 3 43 TRP HD1 4.500 . 5.000 4.742 4.742 4.742 . 0 0 "[ ]" 3
63 2 4 DT H1' 3 43 TRP HD1 5.500 . 6.000 6.034 6.034 6.034 0.034 1 0 "[ ]" 3
64 2 3 DT H2'' 3 43 TRP HD1 5.500 . 6.000 5.406 5.406 5.406 . 0 0 "[ ]" 3
65 2 6 DT H4' 3 66 ARG QG 5.500 . 6.000 5.708 5.708 5.708 . 0 0 "[ ]" 3
66 2 7 DG H5' 3 66 ARG QD 4.500 . 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 3
67 2 8 DC H4' 3 73 LYS QE 2.800 . 3.300 2.252 2.252 2.252 . 0 0 "[ ]" 3
68 2 8 DC H5' 3 73 LYS QD 5.500 2.700 6.000 2.551 2.551 2.551 0.149 1 0 "[ ]" 3
69 1 3 DA H2 3 74 TYR QE 2.800 . 3.300 3.051 3.051 3.051 . 0 0 "[ ]" 3
70 1 4 DC H4' 3 74 TYR QE 3.700 . 4.200 4.253 4.253 4.253 0.053 1 0 "[ ]" 3
71 1 3 DA H4' 3 74 TYR QE 5.500 . 6.000 5.628 5.628 5.628 . 0 0 "[ ]" 3
72 2 7 DG H1' 3 74 TYR QD 3.500 . 4.000 3.949 3.949 3.949 . 0 0 "[ ]" 3
73 2 7 DG H1' 3 74 TYR QE 5.500 . 6.000 4.925 4.925 4.925 . 0 0 "[ ]" 3
74 1 3 DA H3' 3 74 TYR QD 5.500 . 6.000 5.888 5.888 5.888 . 0 0 "[ ]" 3
75 1 3 DA H5' 3 74 TYR QD 5.500 . 6.000 5.523 5.523 5.523 . 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 70
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 1.479
_Distance_constraint_stats_list.Viol_max 0.346
_Distance_constraint_stats_list.Viol_rms 0.0538
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0211
_Distance_constraint_stats_list.Viol_average_violations_only 0.0740
_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
3 11 ALA 0.045 0.045 1 0 "[ ]"
3 12 PHE 0.045 0.042 1 0 "[ ]"
3 13 ILE 0.000 0.000 . 0 "[ ]"
3 14 VAL 0.125 0.125 1 0 "[ ]"
3 15 TRP 0.045 0.045 1 0 "[ ]"
3 16 SER 0.045 0.042 1 0 "[ ]"
3 17 ARG 0.197 0.167 1 0 "[ ]"
3 18 ASP 0.153 0.125 1 0 "[ ]"
3 19 GLN 0.000 0.000 . 0 "[ ]"
3 20 ARG 0.000 0.000 . 0 "[ ]"
3 21 ARG 0.197 0.167 1 0 "[ ]"
3 22 LYS 0.028 0.028 1 0 "[ ]"
3 23 MET 0.000 0.000 . 0 "[ ]"
3 24 ALA 0.000 0.000 . 0 "[ ]"
3 25 LEU 0.000 0.000 . 0 "[ ]"
3 34 GLU 0.000 0.000 . 0 "[ ]"
3 35 ILE 0.039 0.039 1 0 "[ ]"
3 36 SER 0.050 0.050 1 0 "[ ]"
3 37 LYS 0.054 0.054 1 0 "[ ]"
3 38 GLN 0.000 0.000 . 0 "[ ]"
3 39 LEU 0.039 0.039 1 0 "[ ]"
3 40 GLY 0.050 0.050 1 0 "[ ]"
3 41 TYR 0.054 0.054 1 0 "[ ]"
3 42 GLN 0.000 0.000 . 0 "[ ]"
3 43 TRP 0.000 0.000 . 0 "[ ]"
3 44 LYS 0.000 0.000 . 0 "[ ]"
3 48 GLU 0.000 0.000 . 0 "[ ]"
3 50 GLU 0.154 0.131 1 0 "[ ]"
3 51 LYS 0.000 0.000 . 0 "[ ]"
3 52 TRP 0.000 0.000 . 0 "[ ]"
3 54 PHE 0.154 0.131 1 0 "[ ]"
3 55 PHE 0.000 0.000 . 0 "[ ]"
3 56 GLN 0.055 0.055 1 0 "[ ]"
3 57 GLU 0.000 0.000 . 0 "[ ]"
3 58 ALA 0.071 0.047 1 0 "[ ]"
3 59 GLN 0.000 0.000 . 0 "[ ]"
3 60 LYS 0.055 0.055 1 0 "[ ]"
3 61 LEU 0.144 0.123 1 0 "[ ]"
3 62 GLN 0.071 0.047 1 0 "[ ]"
3 63 ALA 0.000 0.000 . 0 "[ ]"
3 64 MET 0.123 0.123 1 0 "[ ]"
3 65 HIS 0.144 0.123 1 0 "[ ]"
3 66 ARG 0.000 0.000 . 0 "[ ]"
3 67 GLU 0.000 0.000 . 0 "[ ]"
3 68 LYS 0.123 0.123 1 0 "[ ]"
3 69 TYR 0.349 0.346 1 0 "[ ]"
3 72 TYR 0.349 0.346 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 3 11 ALA O 3 15 TRP N 2.800 2.400 3.800 3.769 3.769 3.769 . 0 0 "[ ]" 4
2 3 11 ALA O 3 15 TRP H 1.800 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 4
3 3 12 PHE O 3 16 SER N 2.800 2.400 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 4
4 3 12 PHE O 3 16 SER H 1.800 . 2.500 2.542 2.542 2.542 0.042 1 0 "[ ]" 4
5 3 13 ILE O 3 17 ARG N 2.800 2.400 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 4
6 3 13 ILE O 3 17 ARG H 1.800 . 2.500 1.970 1.970 1.970 . 0 0 "[ ]" 4
7 3 14 VAL O 3 18 ASP N 2.800 2.400 3.500 3.477 3.477 3.477 . 0 0 "[ ]" 4
8 3 14 VAL O 3 18 ASP H 1.800 . 2.500 2.625 2.625 2.625 0.125 1 0 "[ ]" 4
9 3 15 TRP O 3 19 GLN N 2.800 2.400 3.500 2.538 2.538 2.538 . 0 0 "[ ]" 4
10 3 15 TRP O 3 19 GLN H 1.800 . 2.500 1.896 1.896 1.896 . 0 0 "[ ]" 4
11 3 16 SER O 3 20 ARG N 2.800 2.400 3.500 3.085 3.085 3.085 . 0 0 "[ ]" 4
12 3 16 SER O 3 20 ARG H 1.800 . 2.500 2.332 2.332 2.332 . 0 0 "[ ]" 4
13 3 17 ARG O 3 21 ARG N 2.800 2.400 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 4
14 3 17 ARG O 3 21 ARG H 1.800 . 2.500 2.667 2.667 2.667 0.167 1 0 "[ ]" 4
15 3 18 ASP O 3 22 LYS N 2.800 2.400 3.500 3.392 3.392 3.392 . 0 0 "[ ]" 4
16 3 18 ASP O 3 22 LYS H 1.800 . 2.500 2.528 2.528 2.528 0.028 1 0 "[ ]" 4
17 3 19 GLN O 3 23 MET N 2.800 2.400 3.600 3.457 3.457 3.457 . 0 0 "[ ]" 4
18 3 19 GLN O 3 23 MET H 1.800 . 2.600 2.548 2.548 2.548 . 0 0 "[ ]" 4
19 3 20 ARG O 3 24 ALA N 2.800 2.400 3.500 2.831 2.831 2.831 . 0 0 "[ ]" 4
20 3 20 ARG O 3 24 ALA H 1.800 . 2.500 1.935 1.935 1.935 . 0 0 "[ ]" 4
21 3 21 ARG O 3 25 LEU N 2.800 2.400 3.500 3.152 3.152 3.152 . 0 0 "[ ]" 4
22 3 21 ARG O 3 25 LEU H 1.800 . 2.500 2.345 2.345 2.345 . 0 0 "[ ]" 4
23 3 34 GLU O 3 38 GLN N 2.800 2.400 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 4
24 3 34 GLU O 3 38 GLN H 1.800 . 2.500 1.886 1.886 1.886 . 0 0 "[ ]" 4
25 3 35 ILE O 3 39 LEU N 2.800 2.400 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 4
26 3 35 ILE O 3 39 LEU H 1.800 . 2.500 2.539 2.539 2.539 0.039 1 0 "[ ]" 4
27 3 36 SER O 3 40 GLY N 2.800 2.400 3.500 3.467 3.467 3.467 . 0 0 "[ ]" 4
28 3 36 SER O 3 40 GLY H 1.800 . 2.500 2.550 2.550 2.550 0.050 1 0 "[ ]" 4
29 3 37 LYS O 3 41 TYR N 2.800 2.400 3.500 3.410 3.410 3.410 . 0 0 "[ ]" 4
30 3 37 LYS O 3 41 TYR H 1.800 . 2.500 2.554 2.554 2.554 0.054 1 0 "[ ]" 4
31 3 38 GLN O 3 42 GLN N 2.800 2.400 3.500 3.332 3.332 3.332 . 0 0 "[ ]" 4
32 3 38 GLN O 3 42 GLN H 1.800 . 2.500 2.429 2.429 2.429 . 0 0 "[ ]" 4
33 3 39 LEU O 3 43 TRP N 2.800 2.400 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 4
34 3 39 LEU O 3 43 TRP H 1.800 . 2.500 2.088 2.088 2.088 . 0 0 "[ ]" 4
35 3 40 GLY O 3 44 LYS N 2.800 2.400 3.500 3.324 3.324 3.324 . 0 0 "[ ]" 4
36 3 40 GLY O 3 44 LYS H 1.800 . 2.500 2.417 2.417 2.417 . 0 0 "[ ]" 4
37 3 48 GLU O 3 52 TRP N 2.800 2.400 4.000 3.612 3.612 3.612 . 0 0 "[ ]" 4
38 3 48 GLU O 3 52 TRP H 1.800 . 3.000 2.921 2.921 2.921 . 0 0 "[ ]" 4
39 3 50 GLU O 3 54 PHE N 2.800 2.400 4.000 4.023 4.023 4.023 0.023 1 0 "[ ]" 4
40 3 50 GLU O 3 54 PHE H 1.800 . 3.000 3.131 3.131 3.131 0.131 1 0 "[ ]" 4
41 3 51 LYS O 3 55 PHE N 2.800 2.400 4.000 3.053 3.053 3.053 . 0 0 "[ ]" 4
42 3 51 LYS O 3 55 PHE H 1.800 . 3.000 2.119 2.119 2.119 . 0 0 "[ ]" 4
43 3 52 TRP O 3 56 GLN N 2.800 2.400 4.000 3.622 3.622 3.622 . 0 0 "[ ]" 4
44 3 52 TRP O 3 56 GLN H 1.800 . 3.000 2.657 2.657 2.657 . 0 0 "[ ]" 4
45 3 54 PHE O 3 58 ALA N 2.800 2.400 3.500 3.060 3.060 3.060 . 0 0 "[ ]" 4
46 3 54 PHE O 3 58 ALA H 1.800 . 2.500 2.088 2.088 2.088 . 0 0 "[ ]" 4
47 3 55 PHE O 3 59 GLN N 2.800 2.400 3.500 3.059 3.059 3.059 . 0 0 "[ ]" 4
48 3 55 PHE O 3 59 GLN H 1.800 . 2.500 2.295 2.295 2.295 . 0 0 "[ ]" 4
49 3 56 GLN O 3 60 LYS N 2.800 2.400 4.000 3.975 3.975 3.975 . 0 0 "[ ]" 4
50 3 56 GLN O 3 60 LYS H 1.800 . 3.000 3.055 3.055 3.055 0.055 1 0 "[ ]" 4
51 3 57 GLU O 3 61 LEU N 2.800 2.400 3.500 3.304 3.304 3.304 . 0 0 "[ ]" 4
52 3 57 GLU O 3 61 LEU H 1.800 . 2.500 2.330 2.330 2.330 . 0 0 "[ ]" 4
53 3 58 ALA O 3 62 GLN N 2.800 2.400 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 4
54 3 58 ALA O 3 62 GLN H 1.800 . 2.500 2.547 2.547 2.547 0.047 1 0 "[ ]" 4
55 3 59 GLN O 3 63 ALA N 2.800 2.400 3.500 3.148 3.148 3.148 . 0 0 "[ ]" 4
56 3 59 GLN O 3 63 ALA H 1.800 . 2.500 2.177 2.177 2.177 . 0 0 "[ ]" 4
57 3 60 LYS O 3 64 MET N 2.800 2.400 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 4
58 3 60 LYS O 3 64 MET H 1.800 . 2.500 1.958 1.958 1.958 . 0 0 "[ ]" 4
59 3 61 LEU O 3 65 HIS N 2.800 2.400 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 4
60 3 61 LEU O 3 65 HIS H 1.800 . 2.500 2.623 2.623 2.623 0.123 1 0 "[ ]" 4
61 3 62 GLN O 3 66 ARG N 2.800 2.400 3.500 2.790 2.790 2.790 . 0 0 "[ ]" 4
62 3 62 GLN O 3 66 ARG H 1.800 . 2.500 1.899 1.899 1.899 . 0 0 "[ ]" 4
63 3 63 ALA O 3 67 GLU N 2.800 2.400 3.500 3.091 3.091 3.091 . 0 0 "[ ]" 4
64 3 63 ALA O 3 67 GLU H 1.800 . 2.500 2.160 2.160 2.160 . 0 0 "[ ]" 4
65 3 64 MET O 3 68 LYS N 2.800 2.400 3.500 3.312 3.312 3.312 . 0 0 "[ ]" 4
66 3 64 MET O 3 68 LYS H 1.800 . 2.500 2.623 2.623 2.623 0.123 1 0 "[ ]" 4
67 3 66 ARG O 3 69 TYR H 1.800 . 2.500 2.196 2.196 2.196 . 0 0 "[ ]" 4
68 3 66 ARG O 3 69 TYR N 2.800 2.500 3.500 3.042 3.042 3.042 . 0 0 "[ ]" 4
69 3 69 TYR O 3 72 TYR N 2.800 2.500 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 4
70 3 69 TYR O 3 72 TYR H 1.800 . 2.500 2.846 2.846 2.846 0.346 1 0 "[ ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 2.881
_Distance_constraint_stats_list.Viol_max 0.245
_Distance_constraint_stats_list.Viol_rms 0.0809
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1029
_Distance_constraint_stats_list.Viol_average_violations_only 0.1310
_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 0.242 0.108 1 0 "[ ]"
1 2 DC 0.221 0.114 1 0 "[ ]"
1 3 DA 0.383 0.183 1 0 "[ ]"
1 4 DC 0.359 0.151 1 0 "[ ]"
1 5 DA 0.495 0.206 1 0 "[ ]"
1 6 DA 0.435 0.220 1 0 "[ ]"
1 7 DA 0.487 0.245 1 0 "[ ]"
1 8 DC 0.258 0.115 1 0 "[ ]"
2 1 DG 0.258 0.115 1 0 "[ ]"
2 2 DT 0.487 0.245 1 0 "[ ]"
2 3 DT 0.435 0.220 1 0 "[ ]"
2 4 DT 0.495 0.206 1 0 "[ ]"
2 5 DG 0.359 0.151 1 0 "[ ]"
2 6 DT 0.383 0.183 1 0 "[ ]"
2 7 DG 0.221 0.114 1 0 "[ ]"
2 8 DC 0.242 0.108 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 1 DG N1 2 8 DC N3 2.950 2.750 3.150 3.209 3.209 3.209 0.059 1 0 "[ ]" 5
2 1 1 DG H1 2 8 DC N3 1.950 . 2.150 2.258 2.258 2.258 0.108 1 0 "[ ]" 5
3 1 1 DG O6 2 8 DC N4 2.910 2.710 3.110 3.185 3.185 3.185 0.075 1 0 "[ ]" 5
4 1 1 DG N2 2 8 DC O2 2.860 2.660 3.060 3.041 3.041 3.041 . 0 0 "[ ]" 5
5 1 2 DC N3 2 7 DG N1 2.950 2.750 3.150 3.195 3.195 3.195 0.045 1 0 "[ ]" 5
6 1 2 DC N3 2 7 DG H1 1.950 . 2.150 2.264 2.264 2.264 0.114 1 0 "[ ]" 5
7 1 2 DC N4 2 7 DG O6 2.910 2.710 3.110 3.173 3.173 3.173 0.063 1 0 "[ ]" 5
8 1 2 DC O2 2 7 DG N2 2.860 2.660 3.060 3.016 3.016 3.016 . 0 0 "[ ]" 5
9 1 4 DC N3 2 5 DG N1 2.950 2.750 3.150 3.245 3.245 3.245 0.095 1 0 "[ ]" 5
10 1 4 DC N3 2 5 DG H1 1.950 . 2.150 2.262 2.262 2.262 0.112 1 0 "[ ]" 5
11 1 4 DC N4 2 5 DG O6 2.910 2.710 3.110 3.261 3.261 3.261 0.151 1 0 "[ ]" 5
12 1 4 DC O2 2 5 DG N2 2.860 2.660 3.060 3.035 3.035 3.035 . 0 0 "[ ]" 5
13 1 8 DC N3 2 1 DG N1 2.950 2.750 3.150 3.191 3.191 3.191 0.041 1 0 "[ ]" 5
14 1 8 DC N3 2 1 DG H1 1.950 . 2.150 2.265 2.265 2.265 0.115 1 0 "[ ]" 5
15 1 8 DC N4 2 1 DG O6 2.910 2.710 3.110 3.212 3.212 3.212 0.102 1 0 "[ ]" 5
16 1 8 DC O2 2 1 DG N2 2.860 2.660 3.060 2.980 2.980 2.980 . 0 0 "[ ]" 5
17 1 3 DA N1 2 6 DT N3 2.820 2.620 3.020 3.179 3.179 3.179 0.159 1 0 "[ ]" 5
18 1 3 DA N1 2 6 DT H3 1.820 . 2.020 2.203 2.203 2.203 0.183 1 0 "[ ]" 5
19 1 3 DA N6 2 6 DT O4 2.950 2.750 3.150 3.191 3.191 3.191 0.041 1 0 "[ ]" 5
20 1 5 DA N1 2 4 DT N3 2.820 2.620 3.020 3.198 3.198 3.198 0.178 1 0 "[ ]" 5
21 1 5 DA N1 2 4 DT H3 1.820 . 2.020 2.226 2.226 2.226 0.206 1 0 "[ ]" 5
22 1 5 DA N6 2 4 DT O4 2.950 2.750 3.150 3.262 3.262 3.262 0.112 1 0 "[ ]" 5
23 1 6 DA N1 2 3 DT N3 2.820 2.620 3.020 3.235 3.235 3.235 0.215 1 0 "[ ]" 5
24 1 6 DA N1 2 3 DT H3 1.820 . 2.020 2.240 2.240 2.240 0.220 1 0 "[ ]" 5
25 1 6 DA N6 2 3 DT O4 2.950 2.750 3.150 2.869 2.869 2.869 . 0 0 "[ ]" 5
26 1 7 DA N1 2 2 DT N3 2.820 2.620 3.020 3.262 3.262 3.262 0.242 1 0 "[ ]" 5
27 1 7 DA N1 2 2 DT H3 1.820 . 2.020 2.265 2.265 2.265 0.245 1 0 "[ ]" 5
28 1 7 DA N6 2 2 DT O4 2.950 2.750 3.150 2.801 2.801 2.801 . 0 0 "[ ]" 5
stop_
save_
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