NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393371 |
1qg1   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qg1
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 871
_Distance_constraint_stats_list.Viol_count 75
_Distance_constraint_stats_list.Viol_total 5.688
_Distance_constraint_stats_list.Viol_max 0.284
_Distance_constraint_stats_list.Viol_rms 0.0294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0758
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 PRO 0.000 0.000 . 0 "[ ]"
1 5 TRP 0.053 0.053 1 0 "[ ]"
1 6 PHE 0.037 0.037 1 0 "[ ]"
1 7 PHE 0.420 0.157 1 0 "[ ]"
1 8 GLY 0.279 0.157 1 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 ILE 0.180 0.095 1 0 "[ ]"
1 11 PRO 0.000 0.000 . 0 "[ ]"
1 12 ARG 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 LYS 0.098 0.085 1 0 "[ ]"
1 15 ALA 0.335 0.284 1 0 "[ ]"
1 16 GLU 0.039 0.039 1 0 "[ ]"
1 17 GLU 0.085 0.085 1 0 "[ ]"
1 18 MET 0.224 0.211 1 0 "[ ]"
1 19 LEU 0.683 0.234 1 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 LYS 0.219 0.211 1 0 "[ ]"
1 22 GLN 0.240 0.231 1 0 "[ ]"
1 23 ARG 0.000 0.000 . 0 "[ ]"
1 24 HIS 0.281 0.251 1 0 "[ ]"
1 25 ASP 0.064 0.057 1 0 "[ ]"
1 26 GLY 0.009 0.007 1 0 "[ ]"
1 27 ALA 0.646 0.251 1 0 "[ ]"
1 28 PHE 0.238 0.139 1 0 "[ ]"
1 29 LEU 0.442 0.284 1 0 "[ ]"
1 30 ILE 0.148 0.095 1 0 "[ ]"
1 31 ARG 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 SER 0.169 0.091 1 0 "[ ]"
1 34 GLU 0.000 0.000 . 0 "[ ]"
1 35 SER 0.000 0.000 . 0 "[ ]"
1 36 ALA 0.095 0.051 1 0 "[ ]"
1 37 PRO 0.044 0.044 1 0 "[ ]"
1 38 GLY 0.000 0.000 . 0 "[ ]"
1 39 ASP 0.027 0.019 1 0 "[ ]"
1 40 PHE 0.140 0.091 1 0 "[ ]"
1 41 SER 0.000 0.000 . 0 "[ ]"
1 42 LEU 0.357 0.153 1 0 "[ ]"
1 43 SER 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.172 0.110 1 0 "[ ]"
1 45 LYS 0.061 0.061 1 0 "[ ]"
1 46 PHE 0.151 0.109 1 0 "[ ]"
1 47 GLY 0.010 0.010 1 0 "[ ]"
1 48 ASN 0.208 0.208 1 0 "[ ]"
1 49 ASP 0.208 0.208 1 0 "[ ]"
1 50 VAL 0.423 0.225 1 0 "[ ]"
1 51 GLN 0.268 0.227 1 0 "[ ]"
1 52 HIS 0.000 0.000 . 0 "[ ]"
1 53 PHE 0.265 0.148 1 0 "[ ]"
1 54 LYS 0.079 0.079 1 0 "[ ]"
1 55 VAL 0.193 0.144 1 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 57 ARG 0.000 0.000 . 0 "[ ]"
1 58 ASP 0.025 0.025 1 0 "[ ]"
1 59 GLY 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 GLY 0.025 0.025 1 0 "[ ]"
1 62 LYS 0.000 0.000 . 0 "[ ]"
1 63 TYR 0.032 0.032 1 0 "[ ]"
1 64 PHE 0.107 0.107 1 0 "[ ]"
1 65 LEU 0.211 0.144 1 0 "[ ]"
1 66 TRP 0.101 0.065 1 0 "[ ]"
1 67 VAL 0.000 0.000 . 0 "[ ]"
1 68 VAL 0.000 0.000 . 0 "[ ]"
1 69 LYS 0.000 0.000 . 0 "[ ]"
1 70 PHE 0.000 0.000 . 0 "[ ]"
1 71 ASN 0.000 0.000 . 0 "[ ]"
1 72 SER 0.114 0.114 1 0 "[ ]"
1 73 LEU 0.143 0.114 1 0 "[ ]"
1 74 ASN 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.000 0.000 . 0 "[ ]"
1 76 LEU 0.229 0.107 1 0 "[ ]"
1 77 VAL 0.000 0.000 . 0 "[ ]"
1 78 ASP 0.000 0.000 . 0 "[ ]"
1 79 TYR 0.000 0.000 . 0 "[ ]"
1 80 HIS 0.034 0.034 1 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 82 SER 0.034 0.034 1 0 "[ ]"
1 83 THR 0.000 0.000 . 0 "[ ]"
1 84 SER 0.164 0.085 1 0 "[ ]"
1 85 VAL 0.000 0.000 . 0 "[ ]"
1 86 SER 0.093 0.079 1 0 "[ ]"
1 87 ARG 0.000 0.000 . 0 "[ ]"
1 88 ASN 0.000 0.000 . 0 "[ ]"
1 89 GLN 0.000 0.000 . 0 "[ ]"
1 90 GLN 0.000 0.000 . 0 "[ ]"
1 91 ILE 0.000 0.000 . 0 "[ ]"
1 92 PHE 0.194 0.109 1 0 "[ ]"
1 93 LEU 0.364 0.153 1 0 "[ ]"
1 94 ARG 0.047 0.035 1 0 "[ ]"
1 95 ASP 0.042 0.030 1 0 "[ ]"
1 96 ILE 0.449 0.234 1 0 "[ ]"
1 97 GLU 0.134 0.134 1 0 "[ ]"
1 98 GLN 0.000 0.000 . 0 "[ ]"
1 99 VAL 0.123 0.123 1 0 "[ ]"
1 100 PRO 0.123 0.123 1 0 "[ ]"
1 101 GLN 0.000 0.000 . 0 "[ ]"
1 102 GLN 0.000 0.000 . 0 "[ ]"
1 103 PRO 0.000 0.000 . 0 "[ ]"
1 104 THR 0.000 0.000 . 0 "[ ]"
2 2 ASP 0.000 0.000 . 0 "[ ]"
2 3 PRO 0.000 0.000 . 0 "[ ]"
2 4 SER 0.000 0.000 . 0 "[ ]"
2 5 PTR 0.041 0.041 1 0 "[ ]"
2 6 VAL 0.426 0.227 1 0 "[ ]"
2 7 ASN 0.065 0.065 1 0 "[ ]"
2 8 VAL 0.041 0.041 1 0 "[ ]"
2 9 GLN 0.000 0.000 . 0 "[ ]"
2 11 LEU 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 PRO QD 1 4 PRO QG 1.800 . 4.010 1.969 1.969 1.969 . 0 0 "[ ]" 1
2 1 4 PRO HA 1 4 PRO QD 1.800 . 4.030 3.487 3.487 3.487 . 0 0 "[ ]" 1
3 1 4 PRO HA 1 4 PRO QG 1.800 . 3.900 3.553 3.553 3.553 . 0 0 "[ ]" 1
4 1 4 PRO QD 1 5 TRP HD1 1.800 . 4.090 2.932 2.932 2.932 . 0 0 "[ ]" 1
5 1 4 PRO QB 1 5 TRP HD1 1.800 . 3.790 2.950 2.950 2.950 . 0 0 "[ ]" 1
6 1 4 PRO QG 1 5 TRP HD1 1.800 . 3.900 1.853 1.853 1.853 . 0 0 "[ ]" 1
7 1 5 TRP QB 1 5 TRP HD1 1.800 . 3.580 2.575 2.575 2.575 . 0 0 "[ ]" 1
8 1 5 TRP QB 1 29 LEU HA 1.800 . 3.790 2.285 2.285 2.285 . 0 0 "[ ]" 1
9 1 5 TRP QB 1 30 ILE H 1.800 . 4.630 3.677 3.677 3.677 . 0 0 "[ ]" 1
10 1 5 TRP HE3 1 30 ILE MG 1.800 . 4.450 3.792 3.792 3.792 . 0 0 "[ ]" 1
11 1 5 TRP HE3 1 30 ILE HB 1.800 . 3.680 2.093 2.093 2.093 . 0 0 "[ ]" 1
12 1 5 TRP HZ3 1 30 ILE HB 1.800 . 3.500 1.832 1.832 1.832 . 0 0 "[ ]" 1
13 1 5 TRP HZ3 1 30 ILE MD 1.800 . 4.410 1.747 1.747 1.747 0.053 1 0 "[ ]" 1
14 1 5 TRP HE3 1 30 ILE MD 1.800 . 3.730 2.616 2.616 2.616 . 0 0 "[ ]" 1
15 1 5 TRP HZ2 1 73 LEU QB 1.800 . 4.050 3.289 3.289 3.289 . 0 0 "[ ]" 1
16 1 5 TRP HZ2 1 74 ASN QB 1.800 . 4.180 1.858 1.858 1.858 . 0 0 "[ ]" 1
17 1 5 TRP HH2 1 74 ASN QB 1.800 . 3.930 3.574 3.574 3.574 . 0 0 "[ ]" 1
18 1 5 TRP HE1 1 77 VAL QG 1.800 . 4.470 3.361 3.361 3.361 . 0 0 "[ ]" 1
19 1 5 TRP QB 1 96 ILE H 1.800 . 4.590 3.815 3.815 3.815 . 0 0 "[ ]" 1
20 1 6 PHE HA 1 6 PHE QD 1.800 . 3.640 1.854 1.854 1.854 . 0 0 "[ ]" 1
21 1 6 PHE HA 1 7 PHE H 1.800 . 2.930 2.305 2.305 2.305 . 0 0 "[ ]" 1
22 1 6 PHE QD 1 8 GLY H 1.800 . 4.450 3.967 3.967 3.967 . 0 0 "[ ]" 1
23 1 6 PHE HZ 1 8 GLY H 1.800 . 3.870 3.907 3.907 3.907 0.037 1 0 "[ ]" 1
24 1 6 PHE QD 1 30 ILE HB 1.800 . 4.080 1.907 1.907 1.907 . 0 0 "[ ]" 1
25 1 6 PHE QD 1 30 ILE MG 1.800 . 4.050 1.992 1.992 1.992 . 0 0 "[ ]" 1
26 1 6 PHE QE 1 32 GLU H 1.800 . 4.040 3.499 3.499 3.499 . 0 0 "[ ]" 1
27 1 6 PHE HZ 1 40 PHE QD 1.800 . 3.760 3.360 3.360 3.360 . 0 0 "[ ]" 1
28 1 6 PHE QE 1 41 SER H 1.800 . 4.440 4.084 4.084 4.084 . 0 0 "[ ]" 1
29 1 7 PHE H 1 7 PHE QB 1.800 . 3.540 2.356 2.356 2.356 . 0 0 "[ ]" 1
30 1 7 PHE HA 1 7 PHE QD 1.800 . 3.810 1.996 1.996 1.996 . 0 0 "[ ]" 1
31 1 7 PHE H 1 8 GLY H 1.800 . 3.320 2.510 2.510 2.510 . 0 0 "[ ]" 1
32 1 7 PHE HA 1 8 GLY H 1.800 . 3.400 3.557 3.557 3.557 0.157 1 0 "[ ]" 1
33 1 7 PHE QB 1 8 GLY H 1.800 . 4.560 2.207 2.207 2.207 . 0 0 "[ ]" 1
34 1 7 PHE QB 1 10 ILE MG 1.800 . 3.940 1.705 1.705 1.705 0.095 1 0 "[ ]" 1
35 1 7 PHE QD 1 10 ILE MG 1.800 . 4.530 3.058 3.058 3.058 . 0 0 "[ ]" 1
36 1 7 PHE QB 1 10 ILE MD 1.800 . 4.210 2.341 2.341 2.341 . 0 0 "[ ]" 1
37 1 7 PHE QD 1 10 ILE MD 1.800 . 3.760 2.030 2.030 2.030 . 0 0 "[ ]" 1
38 1 7 PHE QD 1 15 ALA MB 1.800 . 4.190 3.157 3.157 3.157 . 0 0 "[ ]" 1
39 1 7 PHE H 1 29 LEU QD 1.800 . 5.290 3.840 3.840 3.840 . 0 0 "[ ]" 1
40 1 7 PHE QB 1 29 LEU QB 1.800 . 4.700 3.653 3.653 3.653 . 0 0 "[ ]" 1
41 1 7 PHE QD 1 29 LEU QB 1.800 . 4.340 2.387 2.387 2.387 . 0 0 "[ ]" 1
42 1 7 PHE QD 1 29 LEU QD 1.800 . 4.980 1.727 1.727 1.727 0.073 1 0 "[ ]" 1
43 1 7 PHE QB 1 29 LEU QD 1.800 . 5.380 2.851 2.851 2.851 . 0 0 "[ ]" 1
44 1 7 PHE H 1 30 ILE H 1.800 . 3.840 3.165 3.165 3.165 . 0 0 "[ ]" 1
45 1 7 PHE H 1 30 ILE HB 1.800 . 3.780 3.875 3.875 3.875 0.095 1 0 "[ ]" 1
46 1 7 PHE QD 1 30 ILE H 1.800 . 4.550 4.114 4.114 4.114 . 0 0 "[ ]" 1
47 1 8 GLY QA 1 9 LYS H 1.800 . 3.330 2.237 2.237 2.237 . 0 0 "[ ]" 1
48 1 8 GLY QA 1 9 LYS QE 1.800 . 4.110 3.229 3.229 3.229 . 0 0 "[ ]" 1
49 1 8 GLY H 1 10 ILE H 1.800 . 3.750 3.835 3.835 3.835 0.085 1 0 "[ ]" 1
50 1 8 GLY H 1 31 ARG HA 1.800 . 3.650 2.809 2.809 2.809 . 0 0 "[ ]" 1
51 1 8 GLY QA 1 32 GLU H 1.800 . 4.450 3.987 3.987 3.987 . 0 0 "[ ]" 1
52 1 9 LYS H 1 9 LYS QB 1.800 . 3.490 2.688 2.688 2.688 . 0 0 "[ ]" 1
53 1 9 LYS H 1 9 LYS QG 1.800 . 3.970 2.421 2.421 2.421 . 0 0 "[ ]" 1
54 1 9 LYS HA 1 9 LYS QG 1.800 . 3.840 2.770 2.770 2.770 . 0 0 "[ ]" 1
55 1 9 LYS QB 1 9 LYS QG 1.800 . 3.970 2.054 2.054 2.054 . 0 0 "[ ]" 1
56 1 9 LYS QE 1 9 LYS QG 1.800 . 3.700 2.035 2.035 2.035 . 0 0 "[ ]" 1
57 1 9 LYS QD 1 9 LYS QG 1.800 . 3.020 2.055 2.055 2.055 . 0 0 "[ ]" 1
58 1 9 LYS QD 1 9 LYS QE 1.800 . 3.460 2.049 2.049 2.049 . 0 0 "[ ]" 1
59 1 9 LYS H 1 10 ILE H 1.800 . 3.950 3.485 3.485 3.485 . 0 0 "[ ]" 1
60 1 9 LYS HA 1 10 ILE H 1.800 . 2.830 2.538 2.538 2.538 . 0 0 "[ ]" 1
61 1 9 LYS QB 1 10 ILE H 1.800 . 4.510 3.899 3.899 3.899 . 0 0 "[ ]" 1
62 1 9 LYS QE 1 32 GLU QG 1.800 . 3.830 2.101 2.101 2.101 . 0 0 "[ ]" 1
63 1 9 LYS QB 1 34 GLU QG 1.800 . 4.380 3.213 3.213 3.213 . 0 0 "[ ]" 1
64 1 9 LYS QE 1 38 GLY QA 1.800 . 3.810 3.029 3.029 3.029 . 0 0 "[ ]" 1
65 1 10 ILE H 1 10 ILE MG 1.800 . 3.610 2.085 2.085 2.085 . 0 0 "[ ]" 1
66 1 10 ILE H 1 10 ILE QG 1.800 . 4.000 2.827 2.827 2.827 . 0 0 "[ ]" 1
67 1 10 ILE H 1 10 ILE MD 1.800 . 4.640 3.840 3.840 3.840 . 0 0 "[ ]" 1
68 1 10 ILE HA 1 10 ILE HB 1.800 . 3.100 2.243 2.243 2.243 . 0 0 "[ ]" 1
69 1 10 ILE HA 1 10 ILE MG 1.800 . 3.460 2.709 2.709 2.709 . 0 0 "[ ]" 1
70 1 10 ILE HA 1 10 ILE QG 1.800 . 4.040 3.133 3.133 3.133 . 0 0 "[ ]" 1
71 1 10 ILE HA 1 11 PRO QD 1.800 . 3.210 1.807 1.807 1.807 . 0 0 "[ ]" 1
72 1 10 ILE HB 1 11 PRO QD 1.800 . 3.840 1.804 1.804 1.804 . 0 0 "[ ]" 1
73 1 10 ILE H 1 11 PRO QD 1.800 . 4.560 4.155 4.155 4.155 . 0 0 "[ ]" 1
74 1 10 ILE MG 1 11 PRO QD 1.800 . 4.230 3.285 3.285 3.285 . 0 0 "[ ]" 1
75 1 10 ILE QG 1 11 PRO QD 1.800 . 4.690 1.871 1.871 1.871 . 0 0 "[ ]" 1
76 1 10 ILE HA 1 11 PRO QG 1.800 . 4.210 3.815 3.815 3.815 . 0 0 "[ ]" 1
77 1 10 ILE MG 1 14 LYS QG 1.800 . 4.750 3.381 3.381 3.381 . 0 0 "[ ]" 1
78 1 10 ILE MD 1 14 LYS QG 1.800 . 4.480 2.071 2.071 2.071 . 0 0 "[ ]" 1
79 1 10 ILE QG 1 15 ALA H 1.800 . 4.360 3.060 3.060 3.060 . 0 0 "[ ]" 1
80 1 10 ILE H 1 31 ARG QB 1.800 . 4.150 3.413 3.413 3.413 . 0 0 "[ ]" 1
81 1 10 ILE MG 1 31 ARG HA 1.800 . 4.470 3.503 3.503 3.503 . 0 0 "[ ]" 1
82 1 10 ILE MG 1 31 ARG QB 1.800 . 4.890 3.313 3.313 3.313 . 0 0 "[ ]" 1
83 1 10 ILE QG 1 31 ARG QB 1.800 . 4.480 2.282 2.282 2.282 . 0 0 "[ ]" 1
84 1 10 ILE MD 1 31 ARG HE 1.800 . 4.850 4.039 4.039 4.039 . 0 0 "[ ]" 1
85 1 10 ILE H 1 32 GLU H 1.800 . 4.020 3.158 3.158 3.158 . 0 0 "[ ]" 1
86 1 11 PRO HA 1 11 PRO QD 1.800 . 4.230 3.490 3.490 3.490 . 0 0 "[ ]" 1
87 1 11 PRO HA 1 11 PRO QG 1.800 . 3.710 3.531 3.531 3.531 . 0 0 "[ ]" 1
88 1 11 PRO QD 1 11 PRO QG 1.800 . 3.680 1.967 1.967 1.967 . 0 0 "[ ]" 1
89 1 11 PRO HA 1 12 ARG H 1.800 . 3.000 2.252 2.252 2.252 . 0 0 "[ ]" 1
90 1 11 PRO QB 1 12 ARG H 1.800 . 4.300 3.220 3.220 3.220 . 0 0 "[ ]" 1
91 1 11 PRO QB 1 13 ALA H 1.800 . 4.440 2.618 2.618 2.618 . 0 0 "[ ]" 1
92 1 11 PRO QB 1 14 LYS H 1.800 . 4.190 2.401 2.401 2.401 . 0 0 "[ ]" 1
93 1 11 PRO QD 1 14 LYS QB 1.800 . 3.970 1.868 1.868 1.868 . 0 0 "[ ]" 1
94 1 11 PRO QD 1 14 LYS QG 1.800 . 4.450 2.716 2.716 2.716 . 0 0 "[ ]" 1
95 1 12 ARG HA 1 12 ARG QG 1.800 . 3.730 3.232 3.232 3.232 . 0 0 "[ ]" 1
96 1 12 ARG QD 1 12 ARG QG 1.800 . 4.300 2.081 2.081 2.081 . 0 0 "[ ]" 1
97 1 12 ARG QB 1 12 ARG QD 1.800 . 4.080 2.116 2.116 2.116 . 0 0 "[ ]" 1
98 1 12 ARG H 1 13 ALA H 1.800 . 3.690 2.787 2.787 2.787 . 0 0 "[ ]" 1
99 1 12 ARG HA 1 13 ALA H 1.800 . 4.180 3.536 3.536 3.536 . 0 0 "[ ]" 1
100 1 12 ARG QB 1 13 ALA H 1.800 . 3.560 3.202 3.202 3.202 . 0 0 "[ ]" 1
101 1 12 ARG QG 1 13 ALA H 1.800 . 4.640 2.037 2.037 2.037 . 0 0 "[ ]" 1
102 1 12 ARG HA 1 15 ALA H 1.800 . 3.800 3.327 3.327 3.327 . 0 0 "[ ]" 1
103 1 12 ARG HA 1 15 ALA MB 1.800 . 3.360 2.577 2.577 2.577 . 0 0 "[ ]" 1
104 1 12 ARG HA 1 31 ARG QD 1.800 . 3.630 2.068 2.068 2.068 . 0 0 "[ ]" 1
105 1 12 ARG QB 1 31 ARG QD 1.800 . 4.640 2.739 2.739 2.739 . 0 0 "[ ]" 1
106 1 12 ARG H 1 34 GLU H 1.800 . 4.200 4.137 4.137 4.137 . 0 0 "[ ]" 1
107 1 12 ARG QD 2 2 ASP HA 1.800 . 6.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
108 1 12 ARG QD 2 3 PRO QG 1.800 . 6.140 1.817 1.817 1.817 . 0 0 "[ ]" 1
109 1 13 ALA H 1 14 LYS H 1.800 . 3.330 2.788 2.788 2.788 . 0 0 "[ ]" 1
110 1 13 ALA MB 1 14 LYS H 1.800 . 3.760 2.486 2.486 2.486 . 0 0 "[ ]" 1
111 1 13 ALA HA 1 16 GLU H 1.800 . 3.490 2.992 2.992 2.992 . 0 0 "[ ]" 1
112 1 13 ALA HA 1 16 GLU QB 1.800 . 3.100 2.039 2.039 2.039 . 0 0 "[ ]" 1
113 1 13 ALA HA 1 16 GLU QG 1.800 . 3.870 2.052 2.052 2.052 . 0 0 "[ ]" 1
114 1 13 ALA MB 1 16 GLU QB 1.800 . 4.440 3.332 3.332 3.332 . 0 0 "[ ]" 1
115 1 14 LYS HA 1 14 LYS QE 1.800 . 3.930 3.096 3.096 3.096 . 0 0 "[ ]" 1
116 1 14 LYS QB 1 14 LYS QE 1.800 . 4.360 2.075 2.075 2.075 . 0 0 "[ ]" 1
117 1 14 LYS HA 1 14 LYS QG 1.800 . 3.490 2.961 2.961 2.961 . 0 0 "[ ]" 1
118 1 14 LYS QB 1 14 LYS QG 1.800 . 3.230 2.040 2.040 2.040 . 0 0 "[ ]" 1
119 1 14 LYS QD 1 14 LYS QG 1.800 . 2.930 2.035 2.035 2.035 . 0 0 "[ ]" 1
120 1 14 LYS QE 1 14 LYS QG 1.800 . 3.550 2.175 2.175 2.175 . 0 0 "[ ]" 1
121 1 14 LYS HA 1 14 LYS QD 1.800 . 3.290 2.103 2.103 2.103 . 0 0 "[ ]" 1
122 1 14 LYS QB 1 14 LYS QD 1.800 . 3.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
123 1 14 LYS QD 1 14 LYS QE 1.800 . 3.470 2.087 2.087 2.087 . 0 0 "[ ]" 1
124 1 14 LYS H 1 15 ALA H 1.800 . 2.880 2.662 2.662 2.662 . 0 0 "[ ]" 1
125 1 14 LYS HA 1 15 ALA H 1.800 . 3.850 3.527 3.527 3.527 . 0 0 "[ ]" 1
126 1 14 LYS QB 1 15 ALA H 1.800 . 3.570 2.565 2.565 2.565 . 0 0 "[ ]" 1
127 1 14 LYS H 1 16 GLU H 1.800 . 4.050 3.730 3.730 3.730 . 0 0 "[ ]" 1
128 1 14 LYS HA 1 17 GLU H 1.800 . 3.250 3.335 3.335 3.335 0.085 1 0 "[ ]" 1
129 1 14 LYS HA 1 17 GLU QB 1.800 . 3.150 2.418 2.418 2.418 . 0 0 "[ ]" 1
130 1 14 LYS QD 1 17 GLU QB 1.800 . 4.410 2.918 2.918 2.918 . 0 0 "[ ]" 1
131 1 14 LYS HA 1 17 GLU QG 1.800 . 4.020 3.471 3.471 3.471 . 0 0 "[ ]" 1
132 1 14 LYS HA 1 18 MET H 1.800 . 4.110 4.124 4.124 4.124 0.014 1 0 "[ ]" 1
133 1 14 LYS QG 1 18 MET H 1.800 . 4.470 3.996 3.996 3.996 . 0 0 "[ ]" 1
134 1 14 LYS QG 1 18 MET QG 1.800 . 4.510 2.947 2.947 2.947 . 0 0 "[ ]" 1
135 1 15 ALA MB 1 16 GLU H 1.800 . 3.590 2.858 2.858 2.858 . 0 0 "[ ]" 1
136 1 15 ALA MB 1 16 GLU QG 1.800 . 4.640 3.249 3.249 3.249 . 0 0 "[ ]" 1
137 1 15 ALA HA 1 18 MET QB 1.800 . 3.420 3.063 3.063 3.063 . 0 0 "[ ]" 1
138 1 15 ALA H 1 29 LEU QD 1.800 . 4.720 3.498 3.498 3.498 . 0 0 "[ ]" 1
139 1 15 ALA MB 1 29 LEU QD 1.800 . 3.900 1.516 1.516 1.516 0.284 1 0 "[ ]" 1
140 1 15 ALA HA 1 29 LEU QD 1.800 . 4.120 1.749 1.749 1.749 0.051 1 0 "[ ]" 1
141 1 15 ALA MB 1 31 ARG QB 1.800 . 4.510 3.384 3.384 3.384 . 0 0 "[ ]" 1
142 1 15 ALA MB 1 31 ARG QD 1.800 . 4.100 2.042 2.042 2.042 . 0 0 "[ ]" 1
143 1 15 ALA MB 1 43 SER QB 1.800 . 4.790 1.810 1.810 1.810 . 0 0 "[ ]" 1
144 1 16 GLU HA 1 16 GLU QG 1.800 . 3.760 2.322 2.322 2.322 . 0 0 "[ ]" 1
145 1 16 GLU QB 1 16 GLU QG 1.800 . 4.010 2.061 2.061 2.061 . 0 0 "[ ]" 1
146 1 16 GLU H 1 17 GLU H 1.800 . 3.110 2.318 2.318 2.318 . 0 0 "[ ]" 1
147 1 16 GLU QG 1 17 GLU H 1.800 . 4.520 4.121 4.121 4.121 . 0 0 "[ ]" 1
148 1 16 GLU HA 1 19 LEU QB 1.800 . 3.970 2.544 2.544 2.544 . 0 0 "[ ]" 1
149 1 16 GLU H 1 50 VAL QG 1.800 . 5.360 3.592 3.592 3.592 . 0 0 "[ ]" 1
150 1 16 GLU HA 1 50 VAL HB 1.800 . 3.620 2.508 2.508 2.508 . 0 0 "[ ]" 1
151 1 16 GLU HA 1 50 VAL QG 1.800 . 3.600 1.761 1.761 1.761 0.039 1 0 "[ ]" 1
152 1 16 GLU QB 1 50 VAL HB 1.800 . 4.210 2.539 2.539 2.539 . 0 0 "[ ]" 1
153 1 16 GLU QB 1 50 VAL QG 1.800 . 5.110 2.737 2.737 2.737 . 0 0 "[ ]" 1
154 1 16 GLU QG 1 50 VAL HB 1.800 . 3.930 2.854 2.854 2.854 . 0 0 "[ ]" 1
155 1 16 GLU QG 1 50 VAL QG 1.800 . 4.970 1.912 1.912 1.912 . 0 0 "[ ]" 1
156 1 17 GLU QB 1 17 GLU QG 1.800 . 3.200 2.077 2.077 2.077 . 0 0 "[ ]" 1
157 1 17 GLU HA 1 17 GLU QG 1.800 . 3.340 1.970 1.970 1.970 . 0 0 "[ ]" 1
158 1 17 GLU H 1 18 MET H 1.800 . 3.360 2.370 2.370 2.370 . 0 0 "[ ]" 1
159 1 17 GLU QB 1 18 MET H 1.800 . 3.380 2.497 2.497 2.497 . 0 0 "[ ]" 1
160 1 17 GLU QB 1 18 MET QG 1.800 . 4.600 3.211 3.211 3.211 . 0 0 "[ ]" 1
161 1 17 GLU QB 1 18 MET ME 1.800 . 4.010 1.860 1.860 1.860 . 0 0 "[ ]" 1
162 1 17 GLU H 1 19 LEU H 1.800 . 4.050 3.319 3.319 3.319 . 0 0 "[ ]" 1
163 1 18 MET HA 1 18 MET ME 1.800 . 3.930 1.807 1.807 1.807 . 0 0 "[ ]" 1
164 1 18 MET QB 1 18 MET QG 1.800 . 3.560 2.020 2.020 2.020 . 0 0 "[ ]" 1
165 1 18 MET HA 1 18 MET QG 1.800 . 3.420 2.944 2.944 2.944 . 0 0 "[ ]" 1
166 1 18 MET ME 1 18 MET QG 1.800 . 3.700 2.051 2.051 2.051 . 0 0 "[ ]" 1
167 1 18 MET QB 1 19 LEU H 1.800 . 3.650 2.971 2.971 2.971 . 0 0 "[ ]" 1
168 1 18 MET HA 1 21 LYS H 1.800 . 3.380 3.591 3.591 3.591 0.211 1 0 "[ ]" 1
169 1 18 MET ME 1 21 LYS QG 1.800 . 3.540 2.698 2.698 2.698 . 0 0 "[ ]" 1
170 1 18 MET ME 1 21 LYS QE 1.800 . 3.160 1.801 1.801 1.801 . 0 0 "[ ]" 1
171 1 18 MET QB 1 29 LEU QD 1.800 . 5.530 2.796 2.796 2.796 . 0 0 "[ ]" 1
172 1 18 MET QB 1 96 ILE MD 1.800 . 4.640 3.508 3.508 3.508 . 0 0 "[ ]" 1
173 1 19 LEU HA 1 19 LEU HG 1.800 . 3.360 2.633 2.633 2.633 . 0 0 "[ ]" 1
174 1 19 LEU HA 1 19 LEU QD 1.800 . 3.520 1.851 1.851 1.851 . 0 0 "[ ]" 1
175 1 19 LEU QB 1 19 LEU QD 1.800 . 4.220 1.894 1.894 1.894 . 0 0 "[ ]" 1
176 1 19 LEU QD 1 19 LEU HG 1.800 . 3.220 1.900 1.900 1.900 . 0 0 "[ ]" 1
177 1 19 LEU QB 1 20 SER H 1.800 . 3.770 2.924 2.924 2.924 . 0 0 "[ ]" 1
178 1 19 LEU QD 1 20 SER H 1.800 . 5.520 4.169 4.169 4.169 . 0 0 "[ ]" 1
179 1 19 LEU HA 1 22 GLN H 1.800 . 3.530 3.305 3.305 3.305 . 0 0 "[ ]" 1
180 1 19 LEU QD 1 22 GLN H 1.800 . 5.460 4.134 4.134 4.134 . 0 0 "[ ]" 1
181 1 19 LEU HA 1 22 GLN QB 1.800 . 3.990 2.491 2.491 2.491 . 0 0 "[ ]" 1
182 1 19 LEU HA 1 22 GLN QG 1.800 . 3.650 2.633 2.633 2.633 . 0 0 "[ ]" 1
183 1 19 LEU QB 1 22 GLN QB 1.800 . 4.670 3.770 3.770 3.770 . 0 0 "[ ]" 1
184 1 19 LEU QD 1 22 GLN QG 1.800 . 4.790 2.081 2.081 2.081 . 0 0 "[ ]" 1
185 1 19 LEU QD 1 27 ALA H 1.800 . 5.370 3.909 3.909 3.909 . 0 0 "[ ]" 1
186 1 19 LEU QD 1 27 ALA MB 1.800 . 4.250 1.773 1.773 1.773 0.027 1 0 "[ ]" 1
187 1 19 LEU QD 1 28 PHE H 1.800 . 5.390 3.416 3.416 3.416 . 0 0 "[ ]" 1
188 1 19 LEU QD 1 28 PHE HA 1.800 . 4.120 2.268 2.268 2.268 . 0 0 "[ ]" 1
189 1 19 LEU QD 1 29 LEU QD 1.800 . 5.440 2.603 2.603 2.603 . 0 0 "[ ]" 1
190 1 19 LEU QD 1 43 SER QB 1.800 . 4.540 1.814 1.814 1.814 . 0 0 "[ ]" 1
191 1 19 LEU QD 1 44 VAL HA 1.800 . 4.480 1.763 1.763 1.763 0.037 1 0 "[ ]" 1
192 1 19 LEU QB 1 45 LYS H 1.800 . 4.130 3.714 3.714 3.714 . 0 0 "[ ]" 1
193 1 19 LEU QD 1 45 LYS H 1.800 . 4.600 2.177 2.177 2.177 . 0 0 "[ ]" 1
194 1 19 LEU H 1 50 VAL QG 1.800 . 5.220 3.137 3.137 3.137 . 0 0 "[ ]" 1
195 1 19 LEU QB 1 50 VAL QG 1.800 . 3.760 1.575 1.575 1.575 0.225 1 0 "[ ]" 1
196 1 19 LEU QD 1 50 VAL QG 1.800 . 4.640 1.641 1.641 1.641 0.159 1 0 "[ ]" 1
197 1 19 LEU HG 1 50 VAL QG 1.800 . 4.920 3.138 3.138 3.138 . 0 0 "[ ]" 1
198 1 19 LEU QD 1 96 ILE MG 1.800 . 3.920 1.948 1.948 1.948 . 0 0 "[ ]" 1
199 1 19 LEU QD 1 96 ILE QG 1.800 . 5.460 2.050 2.050 2.050 . 0 0 "[ ]" 1
200 1 19 LEU HA 1 96 ILE MD 1.800 . 3.550 3.052 3.052 3.052 . 0 0 "[ ]" 1
201 1 19 LEU QD 1 96 ILE MD 1.800 . 4.200 1.566 1.566 1.566 0.234 1 0 "[ ]" 1
202 1 20 SER H 1 21 LYS H 1.800 . 3.170 2.624 2.624 2.624 . 0 0 "[ ]" 1
203 1 20 SER H 1 22 GLN H 1.800 . 4.170 3.815 3.815 3.815 . 0 0 "[ ]" 1
204 1 20 SER HA 1 45 LYS QE 1.800 . 3.950 3.648 3.648 3.648 . 0 0 "[ ]" 1
205 1 20 SER H 1 50 VAL QG 1.800 . 4.440 2.995 2.995 2.995 . 0 0 "[ ]" 1
206 1 20 SER HA 1 50 VAL QG 1.800 . 4.110 3.125 3.125 3.125 . 0 0 "[ ]" 1
207 1 20 SER QB 1 50 VAL QG 1.800 . 5.270 2.934 2.934 2.934 . 0 0 "[ ]" 1
208 1 21 LYS HA 1 21 LYS QG 1.800 . 3.320 3.081 3.081 3.081 . 0 0 "[ ]" 1
209 1 21 LYS QB 1 21 LYS QG 1.800 . 3.790 2.042 2.042 2.042 . 0 0 "[ ]" 1
210 1 21 LYS QE 1 21 LYS QG 1.800 . 4.150 2.112 2.112 2.112 . 0 0 "[ ]" 1
211 1 21 LYS QD 1 21 LYS QG 1.800 . 4.560 2.052 2.052 2.052 . 0 0 "[ ]" 1
212 1 21 LYS QD 1 21 LYS QE 1.800 . 4.700 2.047 2.047 2.047 . 0 0 "[ ]" 1
213 1 21 LYS H 1 22 GLN H 1.800 . 2.950 2.261 2.261 2.261 . 0 0 "[ ]" 1
214 1 21 LYS HA 1 22 GLN H 1.800 . 3.340 3.349 3.349 3.349 0.009 1 0 "[ ]" 1
215 1 21 LYS H 1 22 GLN QB 1.800 . 4.400 3.963 3.963 3.963 . 0 0 "[ ]" 1
216 1 22 GLN QB 1 22 GLN QG 1.800 . 4.050 1.958 1.958 1.958 . 0 0 "[ ]" 1
217 1 22 GLN QB 1 22 GLN QE 1.800 . 5.190 3.480 3.480 3.480 . 0 0 "[ ]" 1
218 1 22 GLN HA 1 23 ARG H 1.800 . 2.860 2.571 2.571 2.571 . 0 0 "[ ]" 1
219 1 22 GLN QB 1 23 ARG H 1.800 . 3.730 2.428 2.428 2.428 . 0 0 "[ ]" 1
220 1 22 GLN QB 1 24 HIS H 1.800 . 3.620 3.219 3.219 3.219 . 0 0 "[ ]" 1
221 1 22 GLN QB 1 27 ALA H 1.800 . 4.680 4.166 4.166 4.166 . 0 0 "[ ]" 1
222 1 22 GLN QB 1 27 ALA MB 1.800 . 3.480 2.402 2.402 2.402 . 0 0 "[ ]" 1
223 1 22 GLN QG 1 27 ALA MB 1.800 . 3.930 1.569 1.569 1.569 0.231 1 0 "[ ]" 1
224 1 22 GLN H 1 45 LYS QE 1.800 . 4.590 3.289 3.289 3.289 . 0 0 "[ ]" 1
225 1 22 GLN QB 1 45 LYS QG 1.800 . 4.710 3.405 3.405 3.405 . 0 0 "[ ]" 1
226 1 22 GLN QB 1 45 LYS QD 1.800 . 4.340 3.543 3.543 3.543 . 0 0 "[ ]" 1
227 1 22 GLN QE 1 96 ILE MG 1.800 . 4.950 3.126 3.126 3.126 . 0 0 "[ ]" 1
228 1 22 GLN QE 1 97 GLU H 1.800 . 3.760 2.118 2.118 2.118 . 0 0 "[ ]" 1
229 1 23 ARG H 1 23 ARG QB 1.800 . 3.530 2.849 2.849 2.849 . 0 0 "[ ]" 1
230 1 23 ARG H 1 23 ARG QG 1.800 . 3.640 2.357 2.357 2.357 . 0 0 "[ ]" 1
231 1 23 ARG QB 1 23 ARG QG 1.800 . 3.150 2.071 2.071 2.071 . 0 0 "[ ]" 1
232 1 23 ARG QB 1 23 ARG QD 1.800 . 4.150 1.964 1.964 1.964 . 0 0 "[ ]" 1
233 1 23 ARG QD 1 23 ARG QG 1.800 . 2.930 2.047 2.047 2.047 . 0 0 "[ ]" 1
234 1 23 ARG H 1 24 HIS H 1.800 . 3.070 1.872 1.872 1.872 . 0 0 "[ ]" 1
235 1 23 ARG QB 1 24 HIS H 1.800 . 3.800 3.533 3.533 3.533 . 0 0 "[ ]" 1
236 1 23 ARG QG 1 24 HIS HD2 1.800 . 4.100 3.617 3.617 3.617 . 0 0 "[ ]" 1
237 1 23 ARG HA 1 45 LYS QE 1.800 . 3.960 3.581 3.581 3.581 . 0 0 "[ ]" 1
238 1 24 HIS H 1 24 HIS QB 1.800 . 3.270 2.744 2.744 2.744 . 0 0 "[ ]" 1
239 1 24 HIS QB 1 24 HIS HD2 1.800 . 3.520 2.671 2.671 2.671 . 0 0 "[ ]" 1
240 1 24 HIS HA 1 25 ASP H 1.800 . 2.550 2.201 2.201 2.201 . 0 0 "[ ]" 1
241 1 24 HIS QB 1 25 ASP H 1.800 . 3.530 3.244 3.244 3.244 . 0 0 "[ ]" 1
242 1 24 HIS H 1 27 ALA H 1.800 . 4.130 4.381 4.381 4.381 0.251 1 0 "[ ]" 1
243 1 24 HIS QB 1 27 ALA H 1.800 . 4.550 3.161 3.161 3.161 . 0 0 "[ ]" 1
244 1 24 HIS QB 1 27 ALA MB 1.800 . 4.730 3.518 3.518 3.518 . 0 0 "[ ]" 1
245 1 24 HIS HD2 1 94 ARG QB 1.800 . 4.140 3.320 3.320 3.320 . 0 0 "[ ]" 1
246 1 24 HIS HD2 1 94 ARG QD 1.800 . 4.140 3.714 3.714 3.714 . 0 0 "[ ]" 1
247 1 24 HIS HD2 1 95 ASP H 1.800 . 4.130 4.160 4.160 4.160 0.030 1 0 "[ ]" 1
248 1 25 ASP H 1 25 ASP QB 1.800 . 3.210 2.835 2.835 2.835 . 0 0 "[ ]" 1
249 1 25 ASP H 1 26 GLY H 1.800 . 4.170 4.177 4.177 4.177 0.007 1 0 "[ ]" 1
250 1 25 ASP HA 1 26 GLY H 1.800 . 2.810 2.112 2.112 2.112 . 0 0 "[ ]" 1
251 1 25 ASP QB 1 26 GLY H 1.800 . 4.040 3.593 3.593 3.593 . 0 0 "[ ]" 1
252 1 25 ASP HA 1 27 ALA H 1.800 . 3.450 3.507 3.507 3.507 0.057 1 0 "[ ]" 1
253 1 25 ASP QB 1 46 PHE QD 1.800 . 4.250 3.445 3.445 3.445 . 0 0 "[ ]" 1
254 1 26 GLY H 1 27 ALA H 1.800 . 3.070 1.798 1.798 1.798 0.002 1 0 "[ ]" 1
255 1 26 GLY QA 1 27 ALA H 1.800 . 3.860 2.827 2.827 2.827 . 0 0 "[ ]" 1
256 1 26 GLY H 1 45 LYS H 1.800 . 4.240 3.450 3.450 3.450 . 0 0 "[ ]" 1
257 1 26 GLY H 1 45 LYS QB 1.800 . 4.220 2.514 2.514 2.514 . 0 0 "[ ]" 1
258 1 26 GLY H 1 91 ILE MG 1.800 . 4.340 3.531 3.531 3.531 . 0 0 "[ ]" 1
259 1 26 GLY QA 1 91 ILE MG 1.800 . 4.060 1.945 1.945 1.945 . 0 0 "[ ]" 1
260 1 26 GLY QA 1 92 PHE H 1.800 . 4.640 2.676 2.676 2.676 . 0 0 "[ ]" 1
261 1 26 GLY QA 1 93 LEU HA 1.800 . 4.170 3.630 3.630 3.630 . 0 0 "[ ]" 1
262 1 26 GLY QA 1 94 ARG H 1.800 . 4.260 3.844 3.844 3.844 . 0 0 "[ ]" 1
263 1 27 ALA H 1 27 ALA MB 1.800 . 3.170 2.058 2.058 2.058 . 0 0 "[ ]" 1
264 1 27 ALA HA 1 28 PHE H 1.800 . 2.950 2.278 2.278 2.278 . 0 0 "[ ]" 1
265 1 27 ALA MB 1 28 PHE H 1.800 . 4.330 3.107 3.107 3.107 . 0 0 "[ ]" 1
266 1 27 ALA H 1 45 LYS H 1.800 . 4.190 3.926 3.926 3.926 . 0 0 "[ ]" 1
267 1 27 ALA H 1 45 LYS QB 1.800 . 3.650 3.306 3.306 3.306 . 0 0 "[ ]" 1
268 1 27 ALA MB 1 45 LYS QB 1.800 . 3.510 2.647 2.647 2.647 . 0 0 "[ ]" 1
269 1 27 ALA MB 1 45 LYS QE 1.800 . 4.260 3.265 3.265 3.265 . 0 0 "[ ]" 1
270 1 27 ALA HA 1 94 ARG H 1.800 . 3.590 2.899 2.899 2.899 . 0 0 "[ ]" 1
271 1 27 ALA HA 1 94 ARG QB 1.800 . 3.690 1.765 1.765 1.765 0.035 1 0 "[ ]" 1
272 1 27 ALA MB 1 96 ILE HA 1.800 . 3.560 2.540 2.540 2.540 . 0 0 "[ ]" 1
273 1 27 ALA MB 1 96 ILE MG 1.800 . 3.760 2.616 2.616 2.616 . 0 0 "[ ]" 1
274 1 27 ALA MB 1 96 ILE QG 1.800 . 3.870 1.757 1.757 1.757 0.043 1 0 "[ ]" 1
275 1 28 PHE H 1 28 PHE QD 1.800 . 4.030 2.854 2.854 2.854 . 0 0 "[ ]" 1
276 1 28 PHE HA 1 29 LEU H 1.800 . 2.870 2.349 2.349 2.349 . 0 0 "[ ]" 1
277 1 28 PHE QB 1 29 LEU H 1.800 . 3.400 2.679 2.679 2.679 . 0 0 "[ ]" 1
278 1 28 PHE QD 1 29 LEU H 1.800 . 4.690 2.360 2.360 2.360 . 0 0 "[ ]" 1
279 1 28 PHE QD 1 29 LEU HA 1.800 . 4.060 3.200 3.200 3.200 . 0 0 "[ ]" 1
280 1 28 PHE QD 1 30 ILE MD 1.800 . 4.910 3.674 3.674 3.674 . 0 0 "[ ]" 1
281 1 28 PHE QB 1 42 LEU QD 1.800 . 4.970 1.782 1.782 1.782 0.018 1 0 "[ ]" 1
282 1 28 PHE QD 1 42 LEU QD 1.800 . 5.270 1.781 1.781 1.781 0.019 1 0 "[ ]" 1
283 1 28 PHE HA 1 44 VAL HA 1.800 . 2.860 2.177 2.177 2.177 . 0 0 "[ ]" 1
284 1 28 PHE QB 1 44 VAL HA 1.800 . 3.720 3.198 3.198 3.198 . 0 0 "[ ]" 1
285 1 28 PHE QB 1 44 VAL HB 1.800 . 4.100 2.267 2.267 2.267 . 0 0 "[ ]" 1
286 1 28 PHE HA 1 45 LYS H 1.800 . 3.750 3.811 3.811 3.811 0.061 1 0 "[ ]" 1
287 1 28 PHE QD 1 77 VAL QG 1.800 . 4.520 2.983 2.983 2.983 . 0 0 "[ ]" 1
288 1 28 PHE HA 1 93 LEU QD 1.800 . 4.660 3.524 3.524 3.524 . 0 0 "[ ]" 1
289 1 28 PHE QB 1 93 LEU QD 1.800 . 4.310 1.661 1.661 1.661 0.139 1 0 "[ ]" 1
290 1 28 PHE QD 1 94 ARG H 1.800 . 4.130 1.984 1.984 1.984 . 0 0 "[ ]" 1
291 1 29 LEU QB 1 29 LEU QD 1.800 . 4.600 1.792 1.792 1.792 0.008 1 0 "[ ]" 1
292 1 29 LEU QD 1 29 LEU HG 1.800 . 4.790 1.888 1.888 1.888 . 0 0 "[ ]" 1
293 1 29 LEU HA 1 30 ILE H 1.800 . 2.960 2.424 2.424 2.424 . 0 0 "[ ]" 1
294 1 29 LEU H 1 30 ILE QG 1.800 . 4.340 4.045 4.045 4.045 . 0 0 "[ ]" 1
295 1 29 LEU QD 1 31 ARG H 1.800 . 4.850 3.193 3.193 3.193 . 0 0 "[ ]" 1
296 1 29 LEU QD 1 31 ARG HA 1.800 . 4.680 3.538 3.538 3.538 . 0 0 "[ ]" 1
297 1 29 LEU QD 1 31 ARG QB 1.800 . 4.600 2.932 2.932 2.932 . 0 0 "[ ]" 1
298 1 29 LEU QD 1 31 ARG QD 1.800 . 4.900 2.540 2.540 2.540 . 0 0 "[ ]" 1
299 1 29 LEU H 1 42 LEU QD 1.800 . 4.120 2.127 2.127 2.127 . 0 0 "[ ]" 1
300 1 29 LEU H 1 43 SER H 1.800 . 3.380 2.953 2.953 2.953 . 0 0 "[ ]" 1
301 1 29 LEU H 1 43 SER QB 1.800 . 4.600 3.750 3.750 3.750 . 0 0 "[ ]" 1
302 1 29 LEU HG 1 43 SER QB 1.800 . 4.090 2.403 2.403 2.403 . 0 0 "[ ]" 1
303 1 29 LEU QD 1 43 SER QB 1.800 . 4.370 2.251 2.251 2.251 . 0 0 "[ ]" 1
304 1 29 LEU H 1 44 VAL HA 1.800 . 3.920 3.946 3.946 3.946 0.026 1 0 "[ ]" 1
305 1 29 LEU HA 1 96 ILE MD 1.800 . 3.910 3.310 3.310 3.310 . 0 0 "[ ]" 1
306 1 29 LEU QD 1 96 ILE MD 1.800 . 4.410 2.189 2.189 2.189 . 0 0 "[ ]" 1
307 1 30 ILE H 1 30 ILE HB 1.800 . 3.150 2.416 2.416 2.416 . 0 0 "[ ]" 1
308 1 30 ILE H 1 30 ILE MG 1.800 . 4.670 3.641 3.641 3.641 . 0 0 "[ ]" 1
309 1 30 ILE H 1 30 ILE QG 1.800 . 4.090 3.280 3.280 3.280 . 0 0 "[ ]" 1
310 1 30 ILE HA 1 30 ILE MG 1.800 . 3.650 2.734 2.734 2.734 . 0 0 "[ ]" 1
311 1 30 ILE HA 1 30 ILE QG 1.800 . 3.550 2.063 2.063 2.063 . 0 0 "[ ]" 1
312 1 30 ILE HB 1 30 ILE MD 1.800 . 3.690 2.366 2.366 2.366 . 0 0 "[ ]" 1
313 1 30 ILE MG 1 31 ARG H 1.800 . 3.720 2.611 2.611 2.611 . 0 0 "[ ]" 1
314 1 30 ILE QG 1 31 ARG H 1.800 . 3.450 3.350 3.350 3.350 . 0 0 "[ ]" 1
315 1 30 ILE MG 1 40 PHE QB 1.800 . 4.480 3.322 3.322 3.322 . 0 0 "[ ]" 1
316 1 30 ILE MG 1 40 PHE QD 1.800 . 4.290 2.982 2.982 2.982 . 0 0 "[ ]" 1
317 1 30 ILE QG 1 42 LEU HA 1.800 . 4.050 2.802 2.802 2.802 . 0 0 "[ ]" 1
318 1 30 ILE QG 1 42 LEU QD 1.800 . 4.620 2.608 2.608 2.608 . 0 0 "[ ]" 1
319 1 30 ILE QG 1 43 SER H 1.800 . 4.670 4.139 4.139 4.139 . 0 0 "[ ]" 1
320 1 30 ILE MG 1 55 VAL QG 1.800 . 5.780 2.840 2.840 2.840 . 0 0 "[ ]" 1
321 1 30 ILE MG 1 73 LEU QD 1.800 . 4.510 2.385 2.385 2.385 . 0 0 "[ ]" 1
322 1 30 ILE MD 1 77 VAL QG 1.800 . 4.000 2.459 2.459 2.459 . 0 0 "[ ]" 1
323 1 31 ARG QB 1 31 ARG QD 1.800 . 4.620 2.550 2.550 2.550 . 0 0 "[ ]" 1
324 1 31 ARG HA 1 32 GLU H 1.800 . 2.880 2.229 2.229 2.229 . 0 0 "[ ]" 1
325 1 31 ARG QB 1 32 GLU H 1.800 . 3.970 2.929 2.929 2.929 . 0 0 "[ ]" 1
326 1 31 ARG H 1 41 SER H 1.800 . 3.560 3.162 3.162 3.162 . 0 0 "[ ]" 1
327 1 32 GLU H 1 32 GLU QB 1.800 . 3.510 2.330 2.330 2.330 . 0 0 "[ ]" 1
328 1 32 GLU HA 1 32 GLU QG 1.800 . 3.830 2.196 2.196 2.196 . 0 0 "[ ]" 1
329 1 32 GLU QB 1 32 GLU QG 1.800 . 3.710 2.093 2.093 2.093 . 0 0 "[ ]" 1
330 1 32 GLU HA 1 33 SER H 1.800 . 3.090 2.635 2.635 2.635 . 0 0 "[ ]" 1
331 1 32 GLU QG 1 33 SER H 1.800 . 4.650 4.091 4.091 4.091 . 0 0 "[ ]" 1
332 1 32 GLU QG 1 38 GLY H 1.800 . 4.650 4.168 4.168 4.168 . 0 0 "[ ]" 1
333 1 32 GLU HA 1 40 PHE HA 1.800 . 3.200 1.998 1.998 1.998 . 0 0 "[ ]" 1
334 1 32 GLU HA 1 40 PHE QD 1.800 . 4.160 2.628 2.628 2.628 . 0 0 "[ ]" 1
335 1 32 GLU QG 1 40 PHE QD 1.800 . 4.590 3.227 3.227 3.227 . 0 0 "[ ]" 1
336 1 32 GLU HA 1 41 SER H 1.800 . 4.100 3.531 3.531 3.531 . 0 0 "[ ]" 1
337 1 33 SER H 1 33 SER QB 1.800 . 3.760 2.936 2.936 2.936 . 0 0 "[ ]" 1
338 1 33 SER HA 1 34 GLU H 1.800 . 3.210 2.287 2.287 2.287 . 0 0 "[ ]" 1
339 1 33 SER QB 1 36 ALA H 1.800 . 4.300 2.034 2.034 2.034 . 0 0 "[ ]" 1
340 1 33 SER QB 1 36 ALA MB 1.800 . 4.360 1.749 1.749 1.749 0.051 1 0 "[ ]" 1
341 1 33 SER H 1 39 ASP H 1.800 . 4.180 4.199 4.199 4.199 0.019 1 0 "[ ]" 1
342 1 33 SER QB 1 39 ASP H 1.800 . 4.110 1.792 1.792 1.792 0.008 1 0 "[ ]" 1
343 1 33 SER H 1 40 PHE HA 1.800 . 3.530 3.621 3.621 3.621 0.091 1 0 "[ ]" 1
344 1 34 GLU H 1 34 GLU QB 1.800 . 3.820 2.090 2.090 2.090 . 0 0 "[ ]" 1
345 1 34 GLU HA 1 34 GLU QG 1.800 . 3.460 2.416 2.416 2.416 . 0 0 "[ ]" 1
346 1 34 GLU H 1 35 SER H 1.800 . 3.540 2.578 2.578 2.578 . 0 0 "[ ]" 1
347 1 34 GLU H 1 36 ALA H 1.800 . 4.130 4.111 4.111 4.111 . 0 0 "[ ]" 1
348 1 35 SER H 1 36 ALA H 1.800 . 3.290 2.266 2.266 2.266 . 0 0 "[ ]" 1
349 1 35 SER HA 1 36 ALA H 1.800 . 3.610 3.494 3.494 3.494 . 0 0 "[ ]" 1
350 1 36 ALA H 1 36 ALA HA 1.800 . 3.080 2.953 2.953 2.953 . 0 0 "[ ]" 1
351 1 36 ALA H 1 36 ALA MB 1.800 . 3.390 2.206 2.206 2.206 . 0 0 "[ ]" 1
352 1 36 ALA MB 1 37 PRO QD 1.800 . 4.730 1.756 1.756 1.756 0.044 1 0 "[ ]" 1
353 1 36 ALA HA 1 37 PRO QD 1.800 . 3.250 2.051 2.051 2.051 . 0 0 "[ ]" 1
354 1 36 ALA MB 1 38 GLY QA 1.800 . 4.600 3.541 3.541 3.541 . 0 0 "[ ]" 1
355 1 36 ALA MB 1 39 ASP H 1.800 . 4.180 2.316 2.316 2.316 . 0 0 "[ ]" 1
356 1 36 ALA MB 1 39 ASP QB 1.800 . 4.020 1.857 1.857 1.857 . 0 0 "[ ]" 1
357 1 37 PRO QD 1 37 PRO QG 1.800 . 4.000 1.968 1.968 1.968 . 0 0 "[ ]" 1
358 1 37 PRO HA 1 37 PRO QD 1.800 . 4.140 3.478 3.478 3.478 . 0 0 "[ ]" 1
359 1 37 PRO HA 1 37 PRO QG 1.800 . 3.740 3.541 3.541 3.541 . 0 0 "[ ]" 1
360 1 38 GLY H 1 39 ASP H 1.800 . 3.160 2.556 2.556 2.556 . 0 0 "[ ]" 1
361 1 38 GLY QA 1 39 ASP H 1.800 . 3.830 2.437 2.437 2.437 . 0 0 "[ ]" 1
362 1 39 ASP H 1 39 ASP QB 1.800 . 3.250 2.340 2.340 2.340 . 0 0 "[ ]" 1
363 1 39 ASP HA 1 40 PHE H 1.800 . 3.330 2.194 2.194 2.194 . 0 0 "[ ]" 1
364 1 39 ASP QB 1 40 PHE H 1.800 . 4.330 3.665 3.665 3.665 . 0 0 "[ ]" 1
365 1 39 ASP QB 1 54 LYS QE 1.800 . 4.010 2.460 2.460 2.460 . 0 0 "[ ]" 1
366 1 40 PHE H 1 40 PHE QD 1.800 . 4.470 3.280 3.280 3.280 . 0 0 "[ ]" 1
367 1 40 PHE HA 1 40 PHE QD 1.800 . 4.050 1.892 1.892 1.892 . 0 0 "[ ]" 1
368 1 40 PHE QB 1 41 SER H 1.800 . 3.730 2.584 2.584 2.584 . 0 0 "[ ]" 1
369 1 40 PHE H 1 55 VAL HB 1.800 . 4.120 3.888 3.888 3.888 . 0 0 "[ ]" 1
370 1 40 PHE QB 1 55 VAL H 1.800 . 4.540 3.763 3.763 3.763 . 0 0 "[ ]" 1
371 1 40 PHE QB 1 55 VAL HB 1.800 . 3.810 1.793 1.793 1.793 0.007 1 0 "[ ]" 1
372 1 40 PHE QB 1 55 VAL QG 1.800 . 5.020 1.758 1.758 1.758 0.042 1 0 "[ ]" 1
373 1 40 PHE QD 1 63 TYR QD 1.800 . 4.580 2.905 2.905 2.905 . 0 0 "[ ]" 1
374 1 40 PHE QD 1 63 TYR QE 1.800 . 4.290 3.068 3.068 3.068 . 0 0 "[ ]" 1
375 1 40 PHE QE 1 63 TYR QE 1.800 . 4.360 2.347 2.347 2.347 . 0 0 "[ ]" 1
376 1 40 PHE QB 1 73 LEU QD 1.800 . 5.330 3.263 3.263 3.263 . 0 0 "[ ]" 1
377 1 40 PHE QE 1 73 LEU QD 1.800 . 5.450 2.926 2.926 2.926 . 0 0 "[ ]" 1
378 1 41 SER H 1 41 SER QB 1.800 . 3.840 3.105 3.105 3.105 . 0 0 "[ ]" 1
379 1 41 SER QB 1 42 LEU H 1.800 . 3.980 2.290 2.290 2.290 . 0 0 "[ ]" 1
380 1 41 SER HA 1 54 LYS HA 1.800 . 3.250 2.764 2.764 2.764 . 0 0 "[ ]" 1
381 1 41 SER HA 1 55 VAL H 1.800 . 3.360 2.145 2.145 2.145 . 0 0 "[ ]" 1
382 1 41 SER H 1 55 VAL QG 1.800 . 5.390 2.664 2.664 2.664 . 0 0 "[ ]" 1
383 1 42 LEU H 1 42 LEU QB 1.800 . 3.520 2.896 2.896 2.896 . 0 0 "[ ]" 1
384 1 42 LEU H 1 42 LEU QD 1.800 . 5.240 3.840 3.840 3.840 . 0 0 "[ ]" 1
385 1 42 LEU HA 1 42 LEU HG 1.800 . 3.550 3.588 3.588 3.588 0.038 1 0 "[ ]" 1
386 1 42 LEU HA 1 42 LEU QD 1.800 . 4.070 2.622 2.622 2.622 . 0 0 "[ ]" 1
387 1 42 LEU QB 1 42 LEU QD 1.800 . 4.590 1.923 1.923 1.923 . 0 0 "[ ]" 1
388 1 42 LEU QD 1 42 LEU HG 1.800 . 4.220 1.902 1.902 1.902 . 0 0 "[ ]" 1
389 1 42 LEU HA 1 43 SER H 1.800 . 2.840 2.183 2.183 2.183 . 0 0 "[ ]" 1
390 1 42 LEU HG 1 43 SER H 1.800 . 3.880 3.864 3.864 3.864 . 0 0 "[ ]" 1
391 1 42 LEU QD 1 43 SER H 1.800 . 4.320 2.098 2.098 2.098 . 0 0 "[ ]" 1
392 1 42 LEU QD 1 44 VAL HB 1.800 . 4.980 2.064 2.064 2.064 . 0 0 "[ ]" 1
393 1 42 LEU H 1 53 PHE H 1.800 . 3.640 2.930 2.930 2.930 . 0 0 "[ ]" 1
394 1 42 LEU H 1 53 PHE QB 1.800 . 4.280 3.873 3.873 3.873 . 0 0 "[ ]" 1
395 1 42 LEU QB 1 53 PHE H 1.800 . 4.350 3.546 3.546 3.546 . 0 0 "[ ]" 1
396 1 42 LEU QB 1 53 PHE QB 1.800 . 4.500 3.149 3.149 3.149 . 0 0 "[ ]" 1
397 1 42 LEU QD 1 53 PHE QB 1.800 . 5.300 2.400 2.400 2.400 . 0 0 "[ ]" 1
398 1 42 LEU QD 1 53 PHE QD 1.800 . 5.280 1.750 1.750 1.750 0.050 1 0 "[ ]" 1
399 1 42 LEU H 1 54 LYS HA 1.800 . 3.880 3.959 3.959 3.959 0.079 1 0 "[ ]" 1
400 1 42 LEU QB 1 65 LEU QD 1.800 . 5.350 2.754 2.754 2.754 . 0 0 "[ ]" 1
401 1 42 LEU QD 1 77 VAL QG 1.800 . 6.280 3.424 3.424 3.424 . 0 0 "[ ]" 1
402 1 42 LEU QD 1 93 LEU QD 1.800 . 4.690 1.647 1.647 1.647 0.153 1 0 "[ ]" 1
403 1 43 SER H 1 43 SER QB 1.800 . 3.750 2.715 2.715 2.715 . 0 0 "[ ]" 1
404 1 43 SER HA 1 44 VAL H 1.800 . 2.780 2.310 2.310 2.310 . 0 0 "[ ]" 1
405 1 43 SER QB 1 44 VAL H 1.800 . 3.980 2.838 2.838 2.838 . 0 0 "[ ]" 1
406 1 43 SER HA 1 50 VAL QG 1.800 . 4.430 3.274 3.274 3.274 . 0 0 "[ ]" 1
407 1 43 SER HA 1 52 HIS HA 1.800 . 3.070 2.169 2.169 2.169 . 0 0 "[ ]" 1
408 1 43 SER HA 1 53 PHE H 1.800 . 3.860 3.858 3.858 3.858 . 0 0 "[ ]" 1
409 1 44 VAL H 1 44 VAL HB 1.800 . 3.320 3.430 3.430 3.430 0.110 1 0 "[ ]" 1
410 1 44 VAL HA 1 44 VAL HB 1.800 . 3.100 2.435 2.435 2.435 . 0 0 "[ ]" 1
411 1 44 VAL HA 1 44 VAL QG 1.800 . 3.930 2.359 2.359 2.359 . 0 0 "[ ]" 1
412 1 44 VAL HB 1 44 VAL QG 1.800 . 3.370 1.896 1.896 1.896 . 0 0 "[ ]" 1
413 1 44 VAL HA 1 45 LYS H 1.800 . 2.760 2.196 2.196 2.196 . 0 0 "[ ]" 1
414 1 44 VAL H 1 50 VAL QG 1.800 . 4.000 2.264 2.264 2.264 . 0 0 "[ ]" 1
415 1 44 VAL H 1 51 GLN H 1.800 . 3.430 3.406 3.406 3.406 . 0 0 "[ ]" 1
416 1 44 VAL H 1 52 HIS HA 1.800 . 3.610 3.170 3.170 3.170 . 0 0 "[ ]" 1
417 1 44 VAL QG 1 53 PHE QD 1.800 . 5.120 3.391 3.391 3.391 . 0 0 "[ ]" 1
418 1 44 VAL QG 1 53 PHE HZ 1.800 . 4.890 3.503 3.503 3.503 . 0 0 "[ ]" 1
419 1 44 VAL HB 1 93 LEU QD 1.800 . 4.600 2.460 2.460 2.460 . 0 0 "[ ]" 1
420 1 45 LYS H 1 45 LYS QB 1.800 . 3.310 2.253 2.253 2.253 . 0 0 "[ ]" 1
421 1 45 LYS QB 1 45 LYS QD 1.800 . 4.170 1.995 1.995 1.995 . 0 0 "[ ]" 1
422 1 45 LYS QD 1 45 LYS QE 1.800 . 3.810 2.048 2.048 2.048 . 0 0 "[ ]" 1
423 1 45 LYS QB 1 45 LYS QE 1.800 . 3.760 2.528 2.528 2.528 . 0 0 "[ ]" 1
424 1 45 LYS QB 1 46 PHE H 1.800 . 4.500 3.923 3.923 3.923 . 0 0 "[ ]" 1
425 1 45 LYS QG 1 46 PHE H 1.800 . 3.840 2.976 2.976 2.976 . 0 0 "[ ]" 1
426 1 45 LYS QG 1 47 GLY H 1.800 . 4.550 4.092 4.092 4.092 . 0 0 "[ ]" 1
427 1 45 LYS QD 1 47 GLY H 1.800 . 4.410 3.375 3.375 3.375 . 0 0 "[ ]" 1
428 1 45 LYS H 1 50 VAL QG 1.800 . 5.460 3.887 3.887 3.887 . 0 0 "[ ]" 1
429 1 45 LYS HA 1 50 VAL QG 1.800 . 4.710 2.791 2.791 2.791 . 0 0 "[ ]" 1
430 1 45 LYS QG 1 50 VAL QG 1.800 . 4.580 2.857 2.857 2.857 . 0 0 "[ ]" 1
431 1 46 PHE H 1 46 PHE QB 1.800 . 3.690 2.457 2.457 2.457 . 0 0 "[ ]" 1
432 1 46 PHE H 1 46 PHE QD 1.800 . 4.650 3.329 3.329 3.329 . 0 0 "[ ]" 1
433 1 46 PHE HA 1 46 PHE QD 1.800 . 3.360 1.768 1.768 1.768 0.032 1 0 "[ ]" 1
434 1 46 PHE H 1 47 GLY H 1.800 . 3.970 3.980 3.980 3.980 0.010 1 0 "[ ]" 1
435 1 46 PHE HA 1 47 GLY H 1.800 . 2.710 2.229 2.229 2.229 . 0 0 "[ ]" 1
436 1 46 PHE QD 1 47 GLY H 1.800 . 4.200 3.808 3.808 3.808 . 0 0 "[ ]" 1
437 1 46 PHE H 1 49 ASP H 1.800 . 3.780 3.683 3.683 3.683 . 0 0 "[ ]" 1
438 1 46 PHE H 1 51 GLN H 1.800 . 4.120 3.293 3.293 3.293 . 0 0 "[ ]" 1
439 1 46 PHE QB 1 91 ILE MG 1.800 . 4.480 3.387 3.387 3.387 . 0 0 "[ ]" 1
440 1 46 PHE QB 1 91 ILE MD 1.800 . 4.010 2.291 2.291 2.291 . 0 0 "[ ]" 1
441 1 46 PHE QD 1 91 ILE MG 1.800 . 4.420 1.843 1.843 1.843 . 0 0 "[ ]" 1
442 1 46 PHE QD 1 91 ILE MD 1.800 . 4.140 2.610 2.610 2.610 . 0 0 "[ ]" 1
443 1 46 PHE QE 1 91 ILE MD 1.800 . 4.580 3.291 3.291 3.291 . 0 0 "[ ]" 1
444 1 46 PHE HZ 1 92 PHE HA 1.800 . 4.420 4.529 4.529 4.529 0.109 1 0 "[ ]" 1
445 1 46 PHE QE 2 6 VAL QG 1.800 . 5.480 3.639 3.639 3.639 . 0 0 "[ ]" 1
446 1 47 GLY H 1 48 ASN H 1.800 . 3.980 2.949 2.949 2.949 . 0 0 "[ ]" 1
447 1 47 GLY QA 1 48 ASN H 1.800 . 3.420 2.748 2.748 2.748 . 0 0 "[ ]" 1
448 1 47 GLY QA 1 49 ASP H 1.800 . 4.250 3.685 3.685 3.685 . 0 0 "[ ]" 1
449 1 48 ASN H 1 48 ASN QB 1.800 . 3.620 3.121 3.121 3.121 . 0 0 "[ ]" 1
450 1 48 ASN H 1 49 ASP H 1.800 . 3.270 1.840 1.840 1.840 . 0 0 "[ ]" 1
451 1 48 ASN HA 1 49 ASP H 1.800 . 3.210 3.418 3.418 3.418 0.208 1 0 "[ ]" 1
452 1 48 ASN QB 1 49 ASP H 1.800 . 4.300 2.986 2.986 2.986 . 0 0 "[ ]" 1
453 1 49 ASP H 1 49 ASP HA 1.800 . 3.130 2.944 2.944 2.944 . 0 0 "[ ]" 1
454 1 49 ASP H 1 49 ASP QB 1.800 . 3.150 2.164 2.164 2.164 . 0 0 "[ ]" 1
455 1 49 ASP HA 1 50 VAL H 1.800 . 2.670 2.529 2.529 2.529 . 0 0 "[ ]" 1
456 1 49 ASP QB 1 50 VAL H 1.800 . 3.280 2.422 2.422 2.422 . 0 0 "[ ]" 1
457 1 50 VAL H 1 50 VAL HB 1.800 . 2.980 2.690 2.690 2.690 . 0 0 "[ ]" 1
458 1 50 VAL H 1 50 VAL QG 1.800 . 4.080 2.686 2.686 2.686 . 0 0 "[ ]" 1
459 1 50 VAL HA 1 50 VAL QG 1.800 . 3.780 2.015 2.015 2.015 . 0 0 "[ ]" 1
460 1 50 VAL HB 1 50 VAL QG 1.800 . 3.680 1.890 1.890 1.890 . 0 0 "[ ]" 1
461 1 50 VAL HA 1 51 GLN H 1.800 . 2.630 2.230 2.230 2.230 . 0 0 "[ ]" 1
462 1 50 VAL QG 1 51 GLN H 1.800 . 4.050 3.057 3.057 3.057 . 0 0 "[ ]" 1
463 1 51 GLN H 1 51 GLN QB 1.800 . 3.430 2.238 2.238 2.238 . 0 0 "[ ]" 1
464 1 51 GLN HA 1 51 GLN QG 1.800 . 3.330 2.945 2.945 2.945 . 0 0 "[ ]" 1
465 1 51 GLN HA 1 52 HIS H 1.800 . 2.770 2.258 2.258 2.258 . 0 0 "[ ]" 1
466 1 51 GLN QB 1 52 HIS H 1.800 . 3.750 3.391 3.391 3.391 . 0 0 "[ ]" 1
467 1 51 GLN QG 1 52 HIS H 1.800 . 4.230 2.467 2.467 2.467 . 0 0 "[ ]" 1
468 1 51 GLN QE 1 93 LEU QD 1.800 . 5.830 3.870 3.870 3.870 . 0 0 "[ ]" 1
469 1 51 GLN HA 2 6 VAL HA 1.800 . 5.970 6.011 6.011 6.011 0.041 1 0 "[ ]" 1
470 1 51 GLN HA 2 6 VAL QG 1.800 . 5.110 3.891 3.891 3.891 . 0 0 "[ ]" 1
471 1 51 GLN QB 2 6 VAL QG 1.800 . 5.320 3.226 3.226 3.226 . 0 0 "[ ]" 1
472 1 51 GLN QG 2 6 VAL HA 1.800 . 4.010 3.758 3.758 3.758 . 0 0 "[ ]" 1
473 1 51 GLN QG 2 6 VAL QG 1.800 . 5.190 1.573 1.573 1.573 0.227 1 0 "[ ]" 1
474 1 52 HIS H 1 52 HIS QB 1.800 . 3.650 3.095 3.095 3.095 . 0 0 "[ ]" 1
475 1 52 HIS HA 1 53 PHE H 1.800 . 2.910 2.319 2.319 2.319 . 0 0 "[ ]" 1
476 1 52 HIS QB 1 53 PHE H 1.800 . 4.240 2.811 2.811 2.811 . 0 0 "[ ]" 1
477 1 52 HIS HA 2 5 PTR HA 1.800 . 5.450 4.660 4.660 4.660 . 0 0 "[ ]" 1
478 1 52 HIS QB 2 5 PTR HA 1.800 . 5.580 3.288 3.288 3.288 . 0 0 "[ ]" 1
479 1 52 HIS HE1 2 5 PTR HA 1.800 . 5.390 4.102 4.102 4.102 . 0 0 "[ ]" 1
480 1 52 HIS H 2 6 VAL QG 1.800 . 4.520 2.766 2.766 2.766 . 0 0 "[ ]" 1
481 1 53 PHE H 1 53 PHE QB 1.800 . 3.850 2.377 2.377 2.377 . 0 0 "[ ]" 1
482 1 53 PHE HA 1 54 LYS H 1.800 . 2.950 2.296 2.296 2.296 . 0 0 "[ ]" 1
483 1 53 PHE HA 1 65 LEU QB 1.800 . 4.230 3.953 3.953 3.953 . 0 0 "[ ]" 1
484 1 53 PHE QB 1 65 LEU HA 1.800 . 4.170 3.621 3.621 3.621 . 0 0 "[ ]" 1
485 1 53 PHE QB 1 65 LEU QB 1.800 . 4.260 1.771 1.771 1.771 0.029 1 0 "[ ]" 1
486 1 53 PHE QB 1 65 LEU QD 1.800 . 4.940 1.762 1.762 1.762 0.038 1 0 "[ ]" 1
487 1 53 PHE QD 1 65 LEU QD 1.800 . 5.390 2.358 2.358 2.358 . 0 0 "[ ]" 1
488 1 53 PHE QD 1 66 TRP HE1 1.800 . 4.550 4.078 4.078 4.078 . 0 0 "[ ]" 1
489 1 53 PHE QE 1 66 TRP HE1 1.800 . 4.060 1.975 1.975 1.975 . 0 0 "[ ]" 1
490 1 53 PHE HZ 1 85 VAL QG 1.800 . 4.600 2.674 2.674 2.674 . 0 0 "[ ]" 1
491 1 53 PHE HA 2 5 PTR HA 1.800 . 4.610 4.126 4.126 4.126 . 0 0 "[ ]" 1
492 1 53 PHE H 2 6 VAL QG 1.800 . 5.370 3.489 3.489 3.489 . 0 0 "[ ]" 1
493 1 53 PHE HA 2 6 VAL HA 1.800 . 5.480 5.354 5.354 5.354 . 0 0 "[ ]" 1
494 1 53 PHE HA 2 6 VAL QG 1.800 . 4.700 2.035 2.035 2.035 . 0 0 "[ ]" 1
495 1 53 PHE QD 2 6 VAL QG 1.800 . 5.310 1.652 1.652 1.652 0.148 1 0 "[ ]" 1
496 1 53 PHE QB 2 7 ASN QB 1.800 . 6.820 3.560 3.560 3.560 . 0 0 "[ ]" 1
497 1 53 PHE QD 2 7 ASN HA 1.800 . 5.570 4.236 4.236 4.236 . 0 0 "[ ]" 1
498 1 53 PHE QD 2 7 ASN QB 1.800 . 6.140 2.653 2.653 2.653 . 0 0 "[ ]" 1
499 1 53 PHE HA 2 8 VAL QG 1.800 . 6.500 4.833 4.833 4.833 . 0 0 "[ ]" 1
500 1 53 PHE QD 2 8 VAL QG 1.800 . 7.920 5.331 5.331 5.331 . 0 0 "[ ]" 1
501 1 54 LYS H 1 54 LYS QB 1.800 . 3.720 2.312 2.312 2.312 . 0 0 "[ ]" 1
502 1 54 LYS HA 1 54 LYS QD 1.800 . 3.980 2.032 2.032 2.032 . 0 0 "[ ]" 1
503 1 54 LYS QD 1 54 LYS QG 1.800 . 4.150 2.103 2.103 2.103 . 0 0 "[ ]" 1
504 1 54 LYS QB 1 54 LYS QD 1.800 . 4.490 2.242 2.242 2.242 . 0 0 "[ ]" 1
505 1 54 LYS QD 1 54 LYS QE 1.800 . 3.900 2.052 2.052 2.052 . 0 0 "[ ]" 1
506 1 54 LYS HA 1 55 VAL H 1.800 . 2.850 2.222 2.222 2.222 . 0 0 "[ ]" 1
507 1 54 LYS QB 1 56 LEU QD 1.800 . 3.910 2.477 2.477 2.477 . 0 0 "[ ]" 1
508 1 54 LYS QG 1 56 LEU QD 1.800 . 4.520 2.182 2.182 2.182 . 0 0 "[ ]" 1
509 1 54 LYS QD 2 5 PTR HA 1.800 . 6.240 5.546 5.546 5.546 . 0 0 "[ ]" 1
510 1 54 LYS H 2 7 ASN H 1.800 . 4.190 3.435 3.435 3.435 . 0 0 "[ ]" 1
511 1 54 LYS H 2 7 ASN QD 1.800 . 4.030 1.901 1.901 1.901 . 0 0 "[ ]" 1
512 1 54 LYS HA 2 8 VAL HB 1.800 . 5.330 4.948 4.948 4.948 . 0 0 "[ ]" 1
513 1 54 LYS QB 2 8 VAL QG 1.800 . 4.620 3.075 3.075 3.075 . 0 0 "[ ]" 1
514 1 54 LYS QG 2 8 VAL HA 1.800 . 6.180 3.509 3.509 3.509 . 0 0 "[ ]" 1
515 1 54 LYS QG 2 8 VAL HB 1.800 . 6.120 4.537 4.537 4.537 . 0 0 "[ ]" 1
516 1 54 LYS QG 2 8 VAL QG 1.800 . 6.440 3.710 3.710 3.710 . 0 0 "[ ]" 1
517 1 54 LYS QD 2 8 VAL QG 1.800 . 4.570 3.032 3.032 3.032 . 0 0 "[ ]" 1
518 1 54 LYS QG 2 9 GLN QG 1.800 . 6.940 5.106 5.106 5.106 . 0 0 "[ ]" 1
519 1 55 VAL H 1 55 VAL HB 1.800 . 3.150 2.411 2.411 2.411 . 0 0 "[ ]" 1
520 1 55 VAL H 1 55 VAL QG 1.800 . 3.950 2.618 2.618 2.618 . 0 0 "[ ]" 1
521 1 55 VAL HA 1 55 VAL QG 1.800 . 3.740 2.116 2.116 2.116 . 0 0 "[ ]" 1
522 1 55 VAL HB 1 55 VAL QG 1.800 . 3.720 1.903 1.903 1.903 . 0 0 "[ ]" 1
523 1 55 VAL HA 1 56 LEU H 1.800 . 3.020 2.216 2.216 2.216 . 0 0 "[ ]" 1
524 1 55 VAL QG 1 56 LEU H 1.800 . 4.930 2.515 2.515 2.515 . 0 0 "[ ]" 1
525 1 55 VAL QG 1 56 LEU HA 1.800 . 4.870 3.518 3.518 3.518 . 0 0 "[ ]" 1
526 1 55 VAL HA 1 56 LEU HG 1.800 . 3.610 3.265 3.265 3.265 . 0 0 "[ ]" 1
527 1 55 VAL QG 1 63 TYR QB 1.800 . 5.160 2.524 2.524 2.524 . 0 0 "[ ]" 1
528 1 55 VAL QG 1 63 TYR QD 1.800 . 4.220 2.778 2.778 2.778 . 0 0 "[ ]" 1
529 1 55 VAL QG 1 64 PHE H 1.800 . 4.560 2.902 2.902 2.902 . 0 0 "[ ]" 1
530 1 55 VAL H 1 65 LEU QB 1.800 . 4.080 3.762 3.762 3.762 . 0 0 "[ ]" 1
531 1 55 VAL HA 1 65 LEU QD 1.800 . 4.020 2.828 2.828 2.828 . 0 0 "[ ]" 1
532 1 55 VAL QG 1 65 LEU QD 1.800 . 5.830 1.656 1.656 1.656 0.144 1 0 "[ ]" 1
533 1 55 VAL QG 1 73 LEU QD 1.800 . 4.880 2.682 2.682 2.682 . 0 0 "[ ]" 1
534 1 55 VAL QG 1 76 LEU QD 1.800 . 5.690 3.041 3.041 3.041 . 0 0 "[ ]" 1
535 1 56 LEU H 1 56 LEU QB 1.800 . 3.710 2.979 2.979 2.979 . 0 0 "[ ]" 1
536 1 56 LEU H 1 56 LEU HG 1.800 . 3.380 1.984 1.984 1.984 . 0 0 "[ ]" 1
537 1 56 LEU QB 1 56 LEU QD 1.800 . 4.810 1.925 1.925 1.925 . 0 0 "[ ]" 1
538 1 56 LEU QD 1 56 LEU HG 1.800 . 3.570 1.893 1.893 1.893 . 0 0 "[ ]" 1
539 1 56 LEU HA 1 56 LEU QD 1.800 . 3.730 2.319 2.319 2.319 . 0 0 "[ ]" 1
540 1 56 LEU HA 1 57 ARG H 1.800 . 2.800 2.529 2.529 2.529 . 0 0 "[ ]" 1
541 1 56 LEU QB 1 57 ARG H 1.800 . 4.050 2.464 2.464 2.464 . 0 0 "[ ]" 1
542 1 56 LEU H 1 64 PHE H 1.800 . 3.640 2.559 2.559 2.559 . 0 0 "[ ]" 1
543 1 56 LEU QB 1 64 PHE H 1.800 . 4.320 3.916 3.916 3.916 . 0 0 "[ ]" 1
544 1 56 LEU HG 1 64 PHE QB 1.800 . 4.250 3.795 3.795 3.795 . 0 0 "[ ]" 1
545 1 56 LEU QB 1 64 PHE QE 1.800 . 4.650 2.174 2.174 2.174 . 0 0 "[ ]" 1
546 1 56 LEU QD 1 64 PHE QE 1.800 . 4.780 2.494 2.494 2.494 . 0 0 "[ ]" 1
547 1 56 LEU HG 1 64 PHE QD 1.800 . 4.100 2.877 2.877 2.877 . 0 0 "[ ]" 1
548 1 57 ARG H 1 57 ARG QB 1.800 . 3.510 2.564 2.564 2.564 . 0 0 "[ ]" 1
549 1 57 ARG HA 1 57 ARG QG 1.800 . 3.950 2.173 2.173 2.173 . 0 0 "[ ]" 1
550 1 57 ARG HA 1 57 ARG QD 1.800 . 3.450 2.623 2.623 2.623 . 0 0 "[ ]" 1
551 1 57 ARG QB 1 57 ARG QG 1.800 . 4.020 2.050 2.050 2.050 . 0 0 "[ ]" 1
552 1 57 ARG QB 1 57 ARG QD 1.800 . 4.370 2.438 2.438 2.438 . 0 0 "[ ]" 1
553 1 57 ARG QD 1 57 ARG QG 1.800 . 3.980 2.024 2.024 2.024 . 0 0 "[ ]" 1
554 1 57 ARG QD 1 61 GLY QA 1.800 . 4.680 2.673 2.673 2.673 . 0 0 "[ ]" 1
555 1 57 ARG HA 1 63 TYR QD 1.800 . 4.230 3.772 3.772 3.772 . 0 0 "[ ]" 1
556 1 57 ARG QD 1 63 TYR HA 1.800 . 3.680 3.273 3.273 3.273 . 0 0 "[ ]" 1
557 1 57 ARG QD 1 63 TYR QD 1.800 . 4.150 2.180 2.180 2.180 . 0 0 "[ ]" 1
558 1 57 ARG QD 1 63 TYR QE 1.800 . 4.300 2.029 2.029 2.029 . 0 0 "[ ]" 1
559 1 57 ARG HA 1 64 PHE QE 1.800 . 4.250 2.948 2.948 2.948 . 0 0 "[ ]" 1
560 1 58 ASP QB 1 59 GLY H 1.800 . 4.660 3.373 3.373 3.373 . 0 0 "[ ]" 1
561 1 58 ASP QB 1 60 ALA H 1.800 . 4.330 2.567 2.567 2.567 . 0 0 "[ ]" 1
562 1 58 ASP H 1 61 GLY H 1.800 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
563 1 58 ASP H 1 62 LYS H 1.800 . 3.540 3.067 3.067 3.067 . 0 0 "[ ]" 1
564 1 58 ASP H 1 64 PHE QD 1.800 . 4.670 4.189 4.189 4.189 . 0 0 "[ ]" 1
565 1 58 ASP QB 1 64 PHE QE 1.800 . 4.390 1.998 1.998 1.998 . 0 0 "[ ]" 1
566 1 59 GLY QA 1 60 ALA H 1.800 . 4.030 2.929 2.929 2.929 . 0 0 "[ ]" 1
567 1 60 ALA H 1 60 ALA MB 1.800 . 3.280 2.339 2.339 2.339 . 0 0 "[ ]" 1
568 1 60 ALA H 1 61 GLY H 1.800 . 2.920 1.919 1.919 1.919 . 0 0 "[ ]" 1
569 1 60 ALA H 1 61 GLY QA 1.800 . 4.550 4.067 4.067 4.067 . 0 0 "[ ]" 1
570 1 60 ALA HA 1 61 GLY H 1.800 . 3.520 3.445 3.445 3.445 . 0 0 "[ ]" 1
571 1 60 ALA MB 1 61 GLY H 1.800 . 3.990 3.041 3.041 3.041 . 0 0 "[ ]" 1
572 1 60 ALA H 1 62 LYS H 1.800 . 3.720 3.018 3.018 3.018 . 0 0 "[ ]" 1
573 1 61 GLY H 1 62 LYS H 1.800 . 3.090 1.868 1.868 1.868 . 0 0 "[ ]" 1
574 1 61 GLY QA 1 62 LYS H 1.800 . 4.430 2.940 2.940 2.940 . 0 0 "[ ]" 1
575 1 62 LYS H 1 62 LYS QB 1.800 . 3.560 2.217 2.217 2.217 . 0 0 "[ ]" 1
576 1 62 LYS HA 1 63 TYR H 1.800 . 3.070 2.407 2.407 2.407 . 0 0 "[ ]" 1
577 1 62 LYS QB 1 63 TYR H 1.800 . 3.590 2.565 2.565 2.565 . 0 0 "[ ]" 1
578 1 62 LYS HA 1 63 TYR QD 1.800 . 4.090 3.656 3.656 3.656 . 0 0 "[ ]" 1
579 1 62 LYS QB 1 69 LYS QB 1.800 . 4.590 2.842 2.842 2.842 . 0 0 "[ ]" 1
580 1 62 LYS HA 1 71 ASN HA 1.800 . 3.660 2.225 2.225 2.225 . 0 0 "[ ]" 1
581 1 63 TYR H 1 63 TYR QB 1.800 . 3.650 2.693 2.693 2.693 . 0 0 "[ ]" 1
582 1 63 TYR H 1 63 TYR QD 1.800 . 3.600 3.119 3.119 3.119 . 0 0 "[ ]" 1
583 1 63 TYR HA 1 63 TYR QD 1.800 . 3.730 2.613 2.613 2.613 . 0 0 "[ ]" 1
584 1 63 TYR HA 1 64 PHE H 1.800 . 2.840 2.222 2.222 2.222 . 0 0 "[ ]" 1
585 1 63 TYR QB 1 64 PHE H 1.800 . 4.380 3.162 3.162 3.162 . 0 0 "[ ]" 1
586 1 63 TYR QD 1 64 PHE H 1.800 . 4.550 4.118 4.118 4.118 . 0 0 "[ ]" 1
587 1 63 TYR HA 1 64 PHE QD 1.800 . 4.130 3.120 3.120 3.120 . 0 0 "[ ]" 1
588 1 63 TYR H 1 69 LYS QB 1.800 . 4.240 3.625 3.625 3.625 . 0 0 "[ ]" 1
589 1 63 TYR H 1 70 PHE H 1.800 . 3.790 2.668 2.668 2.668 . 0 0 "[ ]" 1
590 1 63 TYR QB 1 70 PHE QB 1.800 . 4.580 3.609 3.609 3.609 . 0 0 "[ ]" 1
591 1 63 TYR QD 1 71 ASN QD 1.800 . 5.050 3.931 3.931 3.931 . 0 0 "[ ]" 1
592 1 63 TYR QB 1 72 SER H 1.800 . 4.570 3.742 3.742 3.742 . 0 0 "[ ]" 1
593 1 63 TYR QD 1 72 SER H 1.800 . 4.110 3.086 3.086 3.086 . 0 0 "[ ]" 1
594 1 63 TYR QE 1 72 SER HA 1.800 . 3.380 2.973 2.973 2.973 . 0 0 "[ ]" 1
595 1 63 TYR QD 1 72 SER HA 1.800 . 3.730 2.633 2.633 2.633 . 0 0 "[ ]" 1
596 1 63 TYR QD 1 73 LEU QD 1.800 . 5.020 2.330 2.330 2.330 . 0 0 "[ ]" 1
597 1 63 TYR QE 1 73 LEU QD 1.800 . 5.160 2.980 2.980 2.980 . 0 0 "[ ]" 1
598 1 63 TYR QB 1 76 LEU QD 1.800 . 5.070 1.768 1.768 1.768 0.032 1 0 "[ ]" 1
599 1 63 TYR QD 1 76 LEU QD 1.800 . 4.810 3.194 3.194 3.194 . 0 0 "[ ]" 1
600 1 64 PHE H 1 64 PHE QD 1.800 . 3.650 2.764 2.764 2.764 . 0 0 "[ ]" 1
601 1 64 PHE HA 1 64 PHE QD 1.800 . 3.920 3.320 3.320 3.320 . 0 0 "[ ]" 1
602 1 64 PHE HA 1 69 LYS HA 1.800 . 3.420 2.485 2.485 2.485 . 0 0 "[ ]" 1
603 1 64 PHE QB 1 69 LYS HA 1.800 . 3.510 1.822 1.822 1.822 . 0 0 "[ ]" 1
604 1 64 PHE QD 1 69 LYS HA 1.800 . 3.990 3.352 3.352 3.352 . 0 0 "[ ]" 1
605 1 64 PHE HA 1 70 PHE QD 1.800 . 4.060 3.652 3.652 3.652 . 0 0 "[ ]" 1
606 1 64 PHE H 1 76 LEU QD 1.800 . 5.040 3.275 3.275 3.275 . 0 0 "[ ]" 1
607 1 64 PHE HA 1 76 LEU QD 1.800 . 4.210 1.693 1.693 1.693 0.107 1 0 "[ ]" 1
608 1 65 LEU QB 1 65 LEU QD 1.800 . 4.940 1.803 1.803 1.803 . 0 0 "[ ]" 1
609 1 65 LEU QD 1 65 LEU HG 1.800 . 3.870 1.909 1.909 1.909 . 0 0 "[ ]" 1
610 1 65 LEU QD 1 76 LEU QD 1.800 . 4.930 1.974 1.974 1.974 . 0 0 "[ ]" 1
611 1 65 LEU QD 2 7 ASN QB 1.800 . 8.150 4.567 4.567 4.567 . 0 0 "[ ]" 1
612 1 66 TRP HA 1 66 TRP HE3 1.800 . 3.230 1.788 1.788 1.788 0.012 1 0 "[ ]" 1
613 1 66 TRP QB 1 67 VAL H 1.800 . 3.580 1.845 1.845 1.845 . 0 0 "[ ]" 1
614 1 66 TRP HZ2 1 86 SER HA 1.800 . 3.730 3.744 3.744 3.744 0.014 1 0 "[ ]" 1
615 1 66 TRP HE1 1 86 SER HA 1.800 . 3.990 3.448 3.448 3.448 . 0 0 "[ ]" 1
616 1 66 TRP QB 2 6 VAL QG 1.800 . 6.160 4.186 4.186 4.186 . 0 0 "[ ]" 1
617 1 66 TRP HZ2 2 6 VAL QG 1.800 . 4.410 2.177 2.177 2.177 . 0 0 "[ ]" 1
618 1 66 TRP HZ3 2 6 VAL QG 1.800 . 6.860 3.970 3.970 3.970 . 0 0 "[ ]" 1
619 1 66 TRP HH2 2 6 VAL HA 1.800 . 5.530 5.540 5.540 5.540 0.010 1 0 "[ ]" 1
620 1 66 TRP HH2 2 6 VAL QG 1.800 . 4.570 3.012 3.012 3.012 . 0 0 "[ ]" 1
621 1 66 TRP HE3 2 7 ASN HA 1.800 . 5.440 3.496 3.496 3.496 . 0 0 "[ ]" 1
622 1 66 TRP HZ2 2 7 ASN HA 1.800 . 4.630 4.628 4.628 4.628 . 0 0 "[ ]" 1
623 1 66 TRP HZ2 2 7 ASN QB 1.800 . 6.090 4.855 4.855 4.855 . 0 0 "[ ]" 1
624 1 66 TRP HZ3 2 7 ASN HA 1.800 . 4.420 2.892 2.892 2.892 . 0 0 "[ ]" 1
625 1 66 TRP HZ3 2 7 ASN QB 1.800 . 5.960 3.449 3.449 3.449 . 0 0 "[ ]" 1
626 1 66 TRP HH2 2 7 ASN HA 1.800 . 3.530 3.595 3.595 3.595 0.065 1 0 "[ ]" 1
627 1 66 TRP HH2 2 7 ASN QB 1.800 . 5.660 4.622 4.622 4.622 . 0 0 "[ ]" 1
628 1 67 VAL H 1 67 VAL HB 1.800 . 3.560 2.908 2.908 2.908 . 0 0 "[ ]" 1
629 1 67 VAL H 1 67 VAL QG 1.800 . 4.700 2.618 2.618 2.618 . 0 0 "[ ]" 1
630 1 67 VAL HA 1 67 VAL QG 1.800 . 3.880 2.077 2.077 2.077 . 0 0 "[ ]" 1
631 1 67 VAL H 1 68 VAL H 1.800 . 3.410 2.665 2.665 2.665 . 0 0 "[ ]" 1
632 1 67 VAL HA 1 68 VAL H 1.800 . 3.990 3.581 3.581 3.581 . 0 0 "[ ]" 1
633 1 67 VAL HB 1 68 VAL H 1.800 . 3.280 1.848 1.848 1.848 . 0 0 "[ ]" 1
634 1 68 VAL H 1 68 VAL HB 1.800 . 3.190 2.604 2.604 2.604 . 0 0 "[ ]" 1
635 1 68 VAL H 1 68 VAL QG 1.800 . 5.020 2.125 2.125 2.125 . 0 0 "[ ]" 1
636 1 68 VAL HA 1 68 VAL QG 1.800 . 3.700 2.133 2.133 2.133 . 0 0 "[ ]" 1
637 1 68 VAL HB 1 68 VAL QG 1.800 . 3.480 1.900 1.900 1.900 . 0 0 "[ ]" 1
638 1 68 VAL HA 1 69 LYS H 1.800 . 2.580 2.333 2.333 2.333 . 0 0 "[ ]" 1
639 1 68 VAL HB 1 69 LYS H 1.800 . 3.910 3.716 3.716 3.716 . 0 0 "[ ]" 1
640 1 68 VAL QG 1 69 LYS H 1.800 . 4.100 1.941 1.941 1.941 . 0 0 "[ ]" 1
641 1 68 VAL QG 1 79 TYR QE 1.800 . 5.130 3.300 3.300 3.300 . 0 0 "[ ]" 1
642 1 69 LYS H 1 69 LYS QB 1.800 . 3.360 2.894 2.894 2.894 . 0 0 "[ ]" 1
643 1 69 LYS HA 1 70 PHE H 1.800 . 3.310 2.647 2.647 2.647 . 0 0 "[ ]" 1
644 1 69 LYS QB 1 70 PHE H 1.800 . 4.520 2.092 2.092 2.092 . 0 0 "[ ]" 1
645 1 69 LYS QB 1 76 LEU QD 1.800 . 5.420 3.585 3.585 3.585 . 0 0 "[ ]" 1
646 1 70 PHE H 1 70 PHE QD 1.800 . 4.200 3.190 3.190 3.190 . 0 0 "[ ]" 1
647 1 70 PHE HA 1 70 PHE QD 1.800 . 3.360 2.956 2.956 2.956 . 0 0 "[ ]" 1
648 1 70 PHE QB 1 71 ASN H 1.800 . 3.990 1.836 1.836 1.836 . 0 0 "[ ]" 1
649 1 70 PHE QD 1 71 ASN H 1.800 . 4.580 3.354 3.354 3.354 . 0 0 "[ ]" 1
650 1 70 PHE QB 1 72 SER H 1.800 . 3.550 2.334 2.334 2.334 . 0 0 "[ ]" 1
651 1 70 PHE QD 1 72 SER H 1.800 . 4.900 4.410 4.410 4.410 . 0 0 "[ ]" 1
652 1 70 PHE QB 1 75 GLU QB 1.800 . 4.370 2.206 2.206 2.206 . 0 0 "[ ]" 1
653 1 70 PHE QD 1 75 GLU QB 1.800 . 4.620 2.753 2.753 2.753 . 0 0 "[ ]" 1
654 1 70 PHE QD 1 76 LEU HA 1.800 . 4.020 3.124 3.124 3.124 . 0 0 "[ ]" 1
655 1 70 PHE QD 1 76 LEU QD 1.800 . 4.450 1.878 1.878 1.878 . 0 0 "[ ]" 1
656 1 70 PHE QD 1 79 TYR QB 1.800 . 4.690 3.706 3.706 3.706 . 0 0 "[ ]" 1
657 1 71 ASN H 1 71 ASN QB 1.800 . 3.610 2.501 2.501 2.501 . 0 0 "[ ]" 1
658 1 71 ASN H 1 72 SER H 1.800 . 3.250 2.180 2.180 2.180 . 0 0 "[ ]" 1
659 1 71 ASN HA 1 72 SER H 1.800 . 3.420 3.201 3.201 3.201 . 0 0 "[ ]" 1
660 1 71 ASN QB 1 72 SER H 1.800 . 4.080 3.544 3.544 3.544 . 0 0 "[ ]" 1
661 1 72 SER H 1 73 LEU H 1.800 . 4.220 4.334 4.334 4.334 0.114 1 0 "[ ]" 1
662 1 72 SER QB 1 73 LEU H 1.800 . 3.970 3.270 3.270 3.270 . 0 0 "[ ]" 1
663 1 72 SER HA 1 73 LEU QD 1.800 . 4.170 3.128 3.128 3.128 . 0 0 "[ ]" 1
664 1 72 SER H 1 75 GLU QB 1.800 . 3.600 2.403 2.403 2.403 . 0 0 "[ ]" 1
665 1 72 SER QB 1 75 GLU H 1.800 . 3.690 2.171 2.171 2.171 . 0 0 "[ ]" 1
666 1 72 SER HA 1 75 GLU QB 1.800 . 3.990 3.655 3.655 3.655 . 0 0 "[ ]" 1
667 1 72 SER HA 1 75 GLU QG 1.800 . 4.420 4.049 4.049 4.049 . 0 0 "[ ]" 1
668 1 73 LEU H 1 73 LEU QB 1.800 . 3.760 2.480 2.480 2.480 . 0 0 "[ ]" 1
669 1 73 LEU H 1 73 LEU HG 1.800 . 3.480 2.519 2.519 2.519 . 0 0 "[ ]" 1
670 1 73 LEU H 1 73 LEU QD 1.800 . 5.330 2.233 2.233 2.233 . 0 0 "[ ]" 1
671 1 73 LEU HA 1 73 LEU QD 1.800 . 3.750 1.772 1.772 1.772 0.028 1 0 "[ ]" 1
672 1 73 LEU QB 1 73 LEU QD 1.800 . 4.280 1.868 1.868 1.868 . 0 0 "[ ]" 1
673 1 73 LEU HA 1 73 LEU HG 1.800 . 3.640 3.511 3.511 3.511 . 0 0 "[ ]" 1
674 1 73 LEU QD 1 73 LEU HG 1.800 . 4.450 1.900 1.900 1.900 . 0 0 "[ ]" 1
675 1 73 LEU H 1 74 ASN H 1.800 . 3.790 2.860 2.860 2.860 . 0 0 "[ ]" 1
676 1 73 LEU QB 1 74 ASN H 1.800 . 4.520 2.004 2.004 2.004 . 0 0 "[ ]" 1
677 1 73 LEU HA 1 76 LEU QB 1.800 . 3.660 3.174 3.174 3.174 . 0 0 "[ ]" 1
678 1 73 LEU HA 1 76 LEU QD 1.800 . 4.800 2.158 2.158 2.158 . 0 0 "[ ]" 1
679 1 73 LEU QD 1 76 LEU QD 1.800 . 6.060 2.595 2.595 2.595 . 0 0 "[ ]" 1
680 1 74 ASN HA 1 74 ASN QD 1.800 . 4.670 3.857 3.857 3.857 . 0 0 "[ ]" 1
681 1 74 ASN H 1 75 GLU H 1.800 . 3.680 2.685 2.685 2.685 . 0 0 "[ ]" 1
682 1 74 ASN HA 1 75 GLU H 1.800 . 4.140 3.457 3.457 3.457 . 0 0 "[ ]" 1
683 1 74 ASN QD 1 75 GLU H 1.800 . 4.320 2.194 2.194 2.194 . 0 0 "[ ]" 1
684 1 75 GLU H 1 75 GLU QB 1.800 . 3.490 2.170 2.170 2.170 . 0 0 "[ ]" 1
685 1 75 GLU H 1 75 GLU QG 1.800 . 3.610 2.911 2.911 2.911 . 0 0 "[ ]" 1
686 1 75 GLU QB 1 75 GLU QG 1.800 . 3.420 2.043 2.043 2.043 . 0 0 "[ ]" 1
687 1 75 GLU H 1 76 LEU H 1.800 . 3.430 2.626 2.626 2.626 . 0 0 "[ ]" 1
688 1 75 GLU HA 1 78 ASP QB 1.800 . 3.250 2.986 2.986 2.986 . 0 0 "[ ]" 1
689 1 76 LEU H 1 76 LEU QB 1.800 . 4.280 2.307 2.307 2.307 . 0 0 "[ ]" 1
690 1 76 LEU HA 1 76 LEU HG 1.800 . 3.270 2.195 2.195 2.195 . 0 0 "[ ]" 1
691 1 76 LEU HA 1 76 LEU QD 1.800 . 4.520 2.852 2.852 2.852 . 0 0 "[ ]" 1
692 1 76 LEU QB 1 76 LEU QD 1.800 . 4.530 1.709 1.709 1.709 0.091 1 0 "[ ]" 1
693 1 76 LEU QD 1 76 LEU HG 1.800 . 3.710 1.891 1.891 1.891 . 0 0 "[ ]" 1
694 1 77 VAL HA 1 77 VAL QG 1.800 . 3.610 2.114 2.114 2.114 . 0 0 "[ ]" 1
695 1 77 VAL HB 1 77 VAL QG 1.800 . 3.510 1.911 1.911 1.911 . 0 0 "[ ]" 1
696 1 77 VAL HA 1 78 ASP H 1.800 . 3.950 3.559 3.559 3.559 . 0 0 "[ ]" 1
697 1 77 VAL HB 1 78 ASP H 1.800 . 3.290 1.934 1.934 1.934 . 0 0 "[ ]" 1
698 1 77 VAL QG 1 78 ASP H 1.800 . 4.560 2.756 2.756 2.756 . 0 0 "[ ]" 1
699 1 77 VAL QG 1 78 ASP HA 1.800 . 4.280 3.194 3.194 3.194 . 0 0 "[ ]" 1
700 1 77 VAL HA 1 80 HIS QB 1.800 . 3.810 3.206 3.206 3.206 . 0 0 "[ ]" 1
701 1 77 VAL HB 1 81 ARG QG 1.800 . 4.150 3.767 3.767 3.767 . 0 0 "[ ]" 1
702 1 77 VAL QG 1 81 ARG HE 1.800 . 4.620 1.835 1.835 1.835 . 0 0 "[ ]" 1
703 1 77 VAL HA 1 93 LEU QD 1.800 . 3.880 2.399 2.399 2.399 . 0 0 "[ ]" 1
704 1 77 VAL QG 1 93 LEU QB 1.800 . 4.490 1.960 1.960 1.960 . 0 0 "[ ]" 1
705 1 77 VAL QG 1 93 LEU QD 1.800 . 5.160 1.900 1.900 1.900 . 0 0 "[ ]" 1
706 1 78 ASP H 1 78 ASP QB 1.800 . 3.210 2.201 2.201 2.201 . 0 0 "[ ]" 1
707 1 78 ASP H 1 79 TYR H 1.800 . 3.450 2.946 2.946 2.946 . 0 0 "[ ]" 1
708 1 78 ASP HA 1 81 ARG H 1.800 . 3.770 3.362 3.362 3.362 . 0 0 "[ ]" 1
709 1 78 ASP HA 1 81 ARG QB 1.800 . 3.450 1.891 1.891 1.891 . 0 0 "[ ]" 1
710 1 78 ASP QB 1 81 ARG QB 1.800 . 4.700 3.714 3.714 3.714 . 0 0 "[ ]" 1
711 1 78 ASP HA 1 81 ARG QG 1.800 . 4.130 2.406 2.406 2.406 . 0 0 "[ ]" 1
712 1 78 ASP HA 1 81 ARG QD 1.800 . 3.810 3.474 3.474 3.474 . 0 0 "[ ]" 1
713 1 78 ASP HA 1 81 ARG HE 1.800 . 3.360 2.400 2.400 2.400 . 0 0 "[ ]" 1
714 1 79 TYR H 1 79 TYR QB 1.800 . 3.390 2.194 2.194 2.194 . 0 0 "[ ]" 1
715 1 79 TYR HA 1 79 TYR QD 1.800 . 3.690 2.724 2.724 2.724 . 0 0 "[ ]" 1
716 1 79 TYR QE 1 80 HIS HA 1.800 . 4.180 3.737 3.737 3.737 . 0 0 "[ ]" 1
717 1 79 TYR QE 1 83 THR MG 1.800 . 3.680 2.738 2.738 2.738 . 0 0 "[ ]" 1
718 1 80 HIS HA 1 81 ARG H 1.800 . 3.880 3.334 3.334 3.334 . 0 0 "[ ]" 1
719 1 80 HIS HA 1 82 SER H 1.800 . 3.720 3.754 3.754 3.754 0.034 1 0 "[ ]" 1
720 1 80 HIS HA 1 83 THR H 1.800 . 3.250 2.827 2.827 2.827 . 0 0 "[ ]" 1
721 1 80 HIS HA 1 83 THR HB 1.800 . 3.310 2.402 2.402 2.402 . 0 0 "[ ]" 1
722 1 80 HIS QB 1 93 LEU HG 1.800 . 4.070 2.333 2.333 2.333 . 0 0 "[ ]" 1
723 1 80 HIS QB 1 93 LEU QD 1.800 . 4.990 2.944 2.944 2.944 . 0 0 "[ ]" 1
724 1 81 ARG H 1 81 ARG QB 1.800 . 3.350 2.218 2.218 2.218 . 0 0 "[ ]" 1
725 1 81 ARG H 1 81 ARG QG 1.800 . 3.570 2.914 2.914 2.914 . 0 0 "[ ]" 1
726 1 81 ARG HA 1 81 ARG QG 1.800 . 3.650 2.059 2.059 2.059 . 0 0 "[ ]" 1
727 1 81 ARG QB 1 81 ARG QD 1.800 . 3.560 1.906 1.906 1.906 . 0 0 "[ ]" 1
728 1 81 ARG QD 1 81 ARG QG 1.800 . 4.060 2.057 2.057 2.057 . 0 0 "[ ]" 1
729 1 81 ARG QB 1 81 ARG HE 1.800 . 4.140 3.124 3.124 3.124 . 0 0 "[ ]" 1
730 1 81 ARG H 1 82 SER H 1.800 . 3.210 2.315 2.315 2.315 . 0 0 "[ ]" 1
731 1 81 ARG HA 1 82 SER H 1.800 . 3.800 3.460 3.460 3.460 . 0 0 "[ ]" 1
732 1 81 ARG QB 1 82 SER H 1.800 . 3.870 2.916 2.916 2.916 . 0 0 "[ ]" 1
733 1 81 ARG H 1 83 THR H 1.800 . 3.990 3.428 3.428 3.428 . 0 0 "[ ]" 1
734 1 81 ARG HA 1 92 PHE QB 1.800 . 3.910 1.955 1.955 1.955 . 0 0 "[ ]" 1
735 1 81 ARG HA 1 93 LEU H 1.800 . 3.290 2.682 2.682 2.682 . 0 0 "[ ]" 1
736 1 81 ARG HA 1 93 LEU QB 1.800 . 3.890 3.138 3.138 3.138 . 0 0 "[ ]" 1
737 1 81 ARG HA 1 94 ARG HE 1.800 . 4.130 3.611 3.611 3.611 . 0 0 "[ ]" 1
738 1 81 ARG QD 1 95 ASP H 1.800 . 5.180 4.684 4.684 4.684 . 0 0 "[ ]" 1
739 1 82 SER H 1 83 THR H 1.800 . 3.120 1.906 1.906 1.906 . 0 0 "[ ]" 1
740 1 82 SER HA 1 83 THR H 1.800 . 3.890 3.418 3.418 3.418 . 0 0 "[ ]" 1
741 1 82 SER HA 1 92 PHE QD 1.800 . 3.990 3.225 3.225 3.225 . 0 0 "[ ]" 1
742 1 82 SER HA 1 92 PHE QE 1.800 . 4.220 3.764 3.764 3.764 . 0 0 "[ ]" 1
743 1 83 THR H 1 83 THR HB 1.800 . 3.450 2.701 2.701 2.701 . 0 0 "[ ]" 1
744 1 83 THR H 1 83 THR MG 1.800 . 4.790 3.869 3.869 3.869 . 0 0 "[ ]" 1
745 1 83 THR HA 1 83 THR MG 1.800 . 3.190 2.146 2.146 2.146 . 0 0 "[ ]" 1
746 1 83 THR H 1 92 PHE QB 1.800 . 4.670 3.994 3.994 3.994 . 0 0 "[ ]" 1
747 1 83 THR H 1 92 PHE QD 1.800 . 4.550 2.405 2.405 2.405 . 0 0 "[ ]" 1
748 1 83 THR HA 1 92 PHE QD 1.800 . 3.920 3.534 3.534 3.534 . 0 0 "[ ]" 1
749 1 83 THR HA 1 92 PHE QE 1.800 . 4.110 2.163 2.163 2.163 . 0 0 "[ ]" 1
750 1 84 SER HA 1 85 VAL H 1.800 . 3.040 2.683 2.683 2.683 . 0 0 "[ ]" 1
751 1 84 SER QB 1 85 VAL H 1.800 . 4.450 1.892 1.892 1.892 . 0 0 "[ ]" 1
752 1 84 SER HA 1 86 SER H 1.800 . 4.370 4.449 4.449 4.449 0.079 1 0 "[ ]" 1
753 1 84 SER QB 1 86 SER H 1.800 . 4.050 2.976 2.976 2.976 . 0 0 "[ ]" 1
754 1 84 SER HA 1 91 ILE H 1.800 . 3.820 3.329 3.329 3.329 . 0 0 "[ ]" 1
755 1 84 SER QB 1 91 ILE H 1.800 . 4.420 2.935 2.935 2.935 . 0 0 "[ ]" 1
756 1 84 SER HA 1 92 PHE HA 1.800 . 3.550 3.635 3.635 3.635 0.085 1 0 "[ ]" 1
757 1 84 SER HA 1 92 PHE QD 1.800 . 3.780 3.376 3.376 3.376 . 0 0 "[ ]" 1
758 1 85 VAL HA 1 85 VAL QG 1.800 . 4.460 2.157 2.157 2.157 . 0 0 "[ ]" 1
759 1 85 VAL H 1 86 SER H 1.800 . 3.380 1.827 1.827 1.827 . 0 0 "[ ]" 1
760 1 85 VAL HB 1 86 SER QB 1.800 . 4.200 3.815 3.815 3.815 . 0 0 "[ ]" 1
761 1 85 VAL QG 1 91 ILE MG 1.800 . 4.340 2.732 2.732 2.732 . 0 0 "[ ]" 1
762 1 86 SER H 1 86 SER QB 1.800 . 3.730 2.467 2.467 2.467 . 0 0 "[ ]" 1
763 1 86 SER HA 1 87 ARG H 1.800 . 3.180 2.314 2.314 2.314 . 0 0 "[ ]" 1
764 1 86 SER HA 1 88 ASN H 1.800 . 4.220 3.814 3.814 3.814 . 0 0 "[ ]" 1
765 1 86 SER QB 1 88 ASN QB 1.800 . 4.690 3.299 3.299 3.299 . 0 0 "[ ]" 1
766 1 86 SER QB 1 89 GLN H 1.800 . 3.880 2.703 2.703 2.703 . 0 0 "[ ]" 1
767 1 86 SER QB 1 89 GLN QB 1.800 . 4.680 3.721 3.721 3.721 . 0 0 "[ ]" 1
768 1 86 SER H 1 91 ILE H 1.800 . 3.990 3.235 3.235 3.235 . 0 0 "[ ]" 1
769 1 86 SER QB 1 91 ILE MD 1.800 . 4.060 2.248 2.248 2.248 . 0 0 "[ ]" 1
770 1 86 SER HA 2 6 VAL QG 1.800 . 6.440 4.477 4.477 4.477 . 0 0 "[ ]" 1
771 1 87 ARG H 1 87 ARG QB 1.800 . 3.780 2.696 2.696 2.696 . 0 0 "[ ]" 1
772 1 87 ARG H 1 87 ARG QG 1.800 . 4.440 2.023 2.023 2.023 . 0 0 "[ ]" 1
773 1 87 ARG HA 1 87 ARG QG 1.800 . 3.610 2.629 2.629 2.629 . 0 0 "[ ]" 1
774 1 87 ARG QB 1 87 ARG QG 1.800 . 3.550 2.063 2.063 2.063 . 0 0 "[ ]" 1
775 1 87 ARG QB 1 87 ARG QD 1.800 . 4.290 1.883 1.883 1.883 . 0 0 "[ ]" 1
776 1 87 ARG QD 1 87 ARG QG 1.800 . 3.960 2.055 2.055 2.055 . 0 0 "[ ]" 1
777 1 87 ARG HA 1 87 ARG QD 1.800 . 4.020 3.310 3.310 3.310 . 0 0 "[ ]" 1
778 1 87 ARG H 1 88 ASN H 1.800 . 3.820 2.685 2.685 2.685 . 0 0 "[ ]" 1
779 1 87 ARG QB 1 88 ASN H 1.800 . 4.500 3.613 3.613 3.613 . 0 0 "[ ]" 1
780 1 87 ARG QG 1 88 ASN H 1.800 . 4.610 4.076 4.076 4.076 . 0 0 "[ ]" 1
781 1 87 ARG HA 1 89 GLN H 1.800 . 4.170 4.080 4.080 4.080 . 0 0 "[ ]" 1
782 1 88 ASN H 1 89 GLN H 1.800 . 3.080 2.086 2.086 2.086 . 0 0 "[ ]" 1
783 1 88 ASN QB 1 89 GLN H 1.800 . 4.150 2.897 2.897 2.897 . 0 0 "[ ]" 1
784 1 89 GLN H 1 89 GLN QB 1.800 . 3.610 2.767 2.767 2.767 . 0 0 "[ ]" 1
785 1 89 GLN HA 1 89 GLN QG 1.800 . 3.310 2.283 2.283 2.283 . 0 0 "[ ]" 1
786 1 89 GLN QB 1 89 GLN QG 1.800 . 4.680 2.108 2.108 2.108 . 0 0 "[ ]" 1
787 1 89 GLN HA 1 90 GLN H 1.800 . 3.310 2.702 2.702 2.702 . 0 0 "[ ]" 1
788 1 89 GLN QB 1 90 GLN H 1.800 . 4.320 1.952 1.952 1.952 . 0 0 "[ ]" 1
789 1 89 GLN QB 1 90 GLN QG 1.800 . 4.260 3.292 3.292 3.292 . 0 0 "[ ]" 1
790 1 89 GLN QB 1 91 ILE QG 1.800 . 4.530 2.628 2.628 2.628 . 0 0 "[ ]" 1
791 1 89 GLN QB 1 91 ILE MD 1.800 . 4.150 2.402 2.402 2.402 . 0 0 "[ ]" 1
792 1 90 GLN H 1 90 GLN QB 1.800 . 3.920 3.089 3.089 3.089 . 0 0 "[ ]" 1
793 1 90 GLN H 1 90 GLN QG 1.800 . 4.490 1.840 1.840 1.840 . 0 0 "[ ]" 1
794 1 90 GLN HA 1 90 GLN QG 1.800 . 3.640 3.088 3.088 3.088 . 0 0 "[ ]" 1
795 1 90 GLN HA 1 90 GLN QE 1.800 . 4.590 3.978 3.978 3.978 . 0 0 "[ ]" 1
796 1 90 GLN HA 1 91 ILE H 1.800 . 3.030 2.395 2.395 2.395 . 0 0 "[ ]" 1
797 1 90 GLN QB 1 92 PHE QE 1.800 . 4.280 1.855 1.855 1.855 . 0 0 "[ ]" 1
798 1 91 ILE H 1 91 ILE HB 1.800 . 3.620 2.792 2.792 2.792 . 0 0 "[ ]" 1
799 1 91 ILE H 1 91 ILE QG 1.800 . 4.230 2.330 2.330 2.330 . 0 0 "[ ]" 1
800 1 91 ILE HA 1 91 ILE MG 1.800 . 3.270 2.063 2.063 2.063 . 0 0 "[ ]" 1
801 1 91 ILE HA 1 91 ILE QG 1.800 . 3.800 2.612 2.612 2.612 . 0 0 "[ ]" 1
802 1 91 ILE HB 1 91 ILE MD 1.800 . 3.450 2.138 2.138 2.138 . 0 0 "[ ]" 1
803 1 91 ILE HA 1 92 PHE H 1.800 . 2.820 2.350 2.350 2.350 . 0 0 "[ ]" 1
804 1 91 ILE MG 1 92 PHE H 1.800 . 4.080 2.198 2.198 2.198 . 0 0 "[ ]" 1
805 1 92 PHE H 1 92 PHE QB 1.800 . 3.670 2.800 2.800 2.800 . 0 0 "[ ]" 1
806 1 92 PHE H 1 92 PHE QD 1.800 . 4.200 2.391 2.391 2.391 . 0 0 "[ ]" 1
807 1 92 PHE HA 1 93 LEU H 1.800 . 2.990 2.398 2.398 2.398 . 0 0 "[ ]" 1
808 1 92 PHE QB 1 93 LEU H 1.800 . 4.130 2.642 2.642 2.642 . 0 0 "[ ]" 1
809 1 93 LEU H 1 93 LEU QB 1.800 . 3.670 2.276 2.276 2.276 . 0 0 "[ ]" 1
810 1 93 LEU H 1 93 LEU HG 1.800 . 3.040 3.049 3.049 3.049 0.009 1 0 "[ ]" 1
811 1 93 LEU H 1 93 LEU QD 1.800 . 4.900 2.616 2.616 2.616 . 0 0 "[ ]" 1
812 1 93 LEU HA 1 93 LEU HG 1.800 . 3.560 3.447 3.447 3.447 . 0 0 "[ ]" 1
813 1 93 LEU HA 1 93 LEU QD 1.800 . 3.480 1.737 1.737 1.737 0.063 1 0 "[ ]" 1
814 1 93 LEU QB 1 93 LEU QD 1.800 . 4.420 1.850 1.850 1.850 . 0 0 "[ ]" 1
815 1 93 LEU QD 1 93 LEU HG 1.800 . 3.640 1.897 1.897 1.897 . 0 0 "[ ]" 1
816 1 93 LEU QB 1 94 ARG H 1.800 . 4.090 3.058 3.058 3.058 . 0 0 "[ ]" 1
817 1 93 LEU QD 1 94 ARG H 1.800 . 4.740 3.127 3.127 3.127 . 0 0 "[ ]" 1
818 1 94 ARG HA 1 94 ARG QG 1.800 . 3.600 2.527 2.527 2.527 . 0 0 "[ ]" 1
819 1 94 ARG QB 1 94 ARG QG 1.800 . 3.420 2.049 2.049 2.049 . 0 0 "[ ]" 1
820 1 94 ARG HA 1 95 ASP H 1.800 . 2.680 2.692 2.692 2.692 0.012 1 0 "[ ]" 1
821 1 94 ARG QB 1 95 ASP H 1.800 . 3.870 2.053 2.053 2.053 . 0 0 "[ ]" 1
822 1 95 ASP H 1 95 ASP QB 1.800 . 3.320 2.687 2.687 2.687 . 0 0 "[ ]" 1
823 1 95 ASP HA 1 96 ILE H 1.800 . 3.250 2.239 2.239 2.239 . 0 0 "[ ]" 1
824 1 95 ASP QB 1 96 ILE H 1.800 . 3.930 3.130 3.130 3.130 . 0 0 "[ ]" 1
825 1 96 ILE H 1 96 ILE HB 1.800 . 3.480 2.706 2.706 2.706 . 0 0 "[ ]" 1
826 1 96 ILE H 1 96 ILE MG 1.800 . 4.540 3.867 3.867 3.867 . 0 0 "[ ]" 1
827 1 96 ILE H 1 96 ILE QG 1.800 . 4.080 2.429 2.429 2.429 . 0 0 "[ ]" 1
828 1 96 ILE HA 1 96 ILE HB 1.800 . 2.970 3.007 3.007 3.007 0.037 1 0 "[ ]" 1
829 1 96 ILE HA 1 96 ILE MG 1.800 . 3.210 2.277 2.277 2.277 . 0 0 "[ ]" 1
830 1 96 ILE HA 1 96 ILE QG 1.800 . 3.560 2.541 2.541 2.541 . 0 0 "[ ]" 1
831 1 96 ILE HA 1 97 GLU H 1.800 . 2.670 2.291 2.291 2.291 . 0 0 "[ ]" 1
832 1 96 ILE HB 1 97 GLU H 1.800 . 3.370 3.504 3.504 3.504 0.134 1 0 "[ ]" 1
833 1 96 ILE MG 1 97 GLU H 1.800 . 3.960 1.805 1.805 1.805 . 0 0 "[ ]" 1
834 1 96 ILE MG 1 97 GLU QG 1.800 . 4.570 2.885 2.885 2.885 . 0 0 "[ ]" 1
835 1 97 GLU H 1 97 GLU QG 1.800 . 4.010 3.064 3.064 3.064 . 0 0 "[ ]" 1
836 1 97 GLU QB 1 97 GLU QG 1.800 . 3.250 2.036 2.036 2.036 . 0 0 "[ ]" 1
837 1 97 GLU HA 1 98 GLN H 1.800 . 2.710 2.628 2.628 2.628 . 0 0 "[ ]" 1
838 1 98 GLN HA 1 98 GLN QG 1.800 . 3.460 2.524 2.524 2.524 . 0 0 "[ ]" 1
839 1 98 GLN QG 1 99 VAL H 1.800 . 4.550 4.094 4.094 4.094 . 0 0 "[ ]" 1
840 1 99 VAL HA 1 99 VAL HB 1.800 . 3.070 2.543 2.543 2.543 . 0 0 "[ ]" 1
841 1 99 VAL HA 1 99 VAL QG 1.800 . 3.800 2.113 2.113 2.113 . 0 0 "[ ]" 1
842 1 99 VAL QG 1 100 PRO QD 1.800 . 5.110 2.687 2.687 2.687 . 0 0 "[ ]" 1
843 1 99 VAL HB 1 100 PRO QD 1.800 . 3.700 1.677 1.677 1.677 0.123 1 0 "[ ]" 1
844 1 100 PRO HA 1 100 PRO QD 1.800 . 3.780 3.464 3.464 3.464 . 0 0 "[ ]" 1
845 1 100 PRO QD 1 100 PRO QG 1.800 . 3.710 1.963 1.963 1.963 . 0 0 "[ ]" 1
846 1 100 PRO HA 1 101 GLN H 1.800 . 2.670 2.381 2.381 2.381 . 0 0 "[ ]" 1
847 1 100 PRO QD 1 103 PRO QB 1.800 . 3.960 2.181 2.181 2.181 . 0 0 "[ ]" 1
848 1 101 GLN H 1 101 GLN QB 1.800 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
849 1 101 GLN H 1 101 GLN QG 1.800 . 4.170 1.804 1.804 1.804 . 0 0 "[ ]" 1
850 1 101 GLN HA 1 101 GLN QG 1.800 . 3.920 2.593 2.593 2.593 . 0 0 "[ ]" 1
851 1 101 GLN QB 1 101 GLN QG 1.800 . 2.700 2.055 2.055 2.055 . 0 0 "[ ]" 1
852 1 101 GLN HA 1 102 GLN H 1.800 . 2.980 2.116 2.116 2.116 . 0 0 "[ ]" 1
853 1 101 GLN HA 1 103 PRO QD 1.800 . 3.960 2.561 2.561 2.561 . 0 0 "[ ]" 1
854 1 102 GLN H 1 102 GLN QB 1.800 . 3.660 3.265 3.265 3.265 . 0 0 "[ ]" 1
855 1 102 GLN QB 1 102 GLN QG 1.800 . 2.480 2.040 2.040 2.040 . 0 0 "[ ]" 1
856 1 103 PRO HA 1 103 PRO QD 1.800 . 4.100 3.508 3.508 3.508 . 0 0 "[ ]" 1
857 1 103 PRO HA 1 104 THR H 1.800 . 3.080 2.534 2.534 2.534 . 0 0 "[ ]" 1
858 1 104 THR H 1 104 THR HB 1.800 . 3.860 3.720 3.720 3.720 . 0 0 "[ ]" 1
859 2 2 ASP HA 2 3 PRO QD 1.800 . 4.160 1.829 1.829 1.829 . 0 0 "[ ]" 1
860 2 4 SER QB 2 5 PTR HA 1.800 . 4.640 4.056 4.056 4.056 . 0 0 "[ ]" 1
861 2 5 PTR HA 2 6 VAL QG 1.800 . 5.160 3.085 3.085 3.085 . 0 0 "[ ]" 1
862 2 5 PTR HA 2 8 VAL HB 1.800 . 4.020 4.061 4.061 4.061 0.041 1 0 "[ ]" 1
863 2 5 PTR HA 2 8 VAL QG 1.800 . 4.980 3.695 3.695 3.695 . 0 0 "[ ]" 1
864 2 6 VAL HA 2 6 VAL QG 1.800 . 3.540 2.543 2.543 2.543 . 0 0 "[ ]" 1
865 2 6 VAL HB 2 6 VAL QG 1.800 . 3.940 1.903 1.903 1.903 . 0 0 "[ ]" 1
866 2 6 VAL QG 2 8 VAL QG 1.800 . 6.690 3.722 3.722 3.722 . 0 0 "[ ]" 1
867 2 8 VAL HA 2 8 VAL QG 1.800 . 3.570 2.311 2.311 2.311 . 0 0 "[ ]" 1
868 2 8 VAL HB 2 8 VAL QG 1.800 . 3.680 1.908 1.908 1.908 . 0 0 "[ ]" 1
869 2 8 VAL HA 2 9 GLN QG 1.800 . 4.540 4.052 4.052 4.052 . 0 0 "[ ]" 1
870 2 9 GLN QB 2 9 GLN QG 1.800 . 3.870 2.102 2.102 2.102 . 0 0 "[ ]" 1
871 2 11 LEU HA 2 11 LEU QD 1.800 . 3.830 2.776 2.776 2.776 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 111
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 PRO 0.000 0.000 . 0 "[ ]"
1 5 TRP 0.000 0.000 . 0 "[ ]"
1 6 PHE 0.000 0.000 . 0 "[ ]"
1 7 PHE 0.000 0.000 . 0 "[ ]"
1 8 GLY 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 ILE 0.000 0.000 . 0 "[ ]"
1 11 PRO 0.000 0.000 . 0 "[ ]"
1 12 ARG 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 LYS 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 16 GLU 0.000 0.000 . 0 "[ ]"
1 17 GLU 0.000 0.000 . 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 LYS 0.000 0.000 . 0 "[ ]"
1 22 GLN 0.000 0.000 . 0 "[ ]"
1 23 ARG 0.000 0.000 . 0 "[ ]"
1 24 HIS 0.000 0.000 . 0 "[ ]"
1 25 ASP 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 ALA 0.000 0.000 . 0 "[ ]"
1 28 PHE 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 ILE 0.000 0.000 . 0 "[ ]"
1 31 ARG 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 35 SER 0.000 0.000 . 0 "[ ]"
1 36 ALA 0.000 0.000 . 0 "[ ]"
1 37 PRO 0.000 0.000 . 0 "[ ]"
1 38 GLY 0.000 0.000 . 0 "[ ]"
1 39 ASP 0.000 0.000 . 0 "[ ]"
1 40 PHE 0.000 0.000 . 0 "[ ]"
1 41 SER 0.000 0.000 . 0 "[ ]"
1 42 LEU 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 LYS 0.000 0.000 . 0 "[ ]"
1 46 PHE 0.000 0.000 . 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 50 VAL 0.000 0.000 . 0 "[ ]"
1 51 GLN 0.000 0.000 . 0 "[ ]"
1 52 HIS 0.000 0.000 . 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.000 0.000 . 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 57 ARG 0.000 0.000 . 0 "[ ]"
1 58 ASP 0.000 0.000 . 0 "[ ]"
1 63 TYR 0.000 0.000 . 0 "[ ]"
1 64 PHE 0.000 0.000 . 0 "[ ]"
1 66 TRP 0.000 0.000 . 0 "[ ]"
1 67 VAL 0.000 0.000 . 0 "[ ]"
1 68 VAL 0.000 0.000 . 0 "[ ]"
1 69 LYS 0.000 0.000 . 0 "[ ]"
1 70 PHE 0.000 0.000 . 0 "[ ]"
1 71 ASN 0.000 0.000 . 0 "[ ]"
1 72 SER 0.000 0.000 . 0 "[ ]"
1 73 LEU 0.000 0.000 . 0 "[ ]"
1 74 ASN 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.000 0.000 . 0 "[ ]"
1 76 LEU 0.000 0.000 . 0 "[ ]"
1 80 HIS 0.000 0.000 . 0 "[ ]"
1 85 VAL 0.000 0.000 . 0 "[ ]"
1 86 SER 0.000 0.000 . 0 "[ ]"
1 87 ARG 0.000 0.000 . 0 "[ ]"
1 88 ASN 0.000 0.000 . 0 "[ ]"
1 89 GLN 0.000 0.000 . 0 "[ ]"
1 90 GLN 0.000 0.000 . 0 "[ ]"
1 91 ILE 0.000 0.000 . 0 "[ ]"
1 92 PHE 0.000 0.000 . 0 "[ ]"
1 93 LEU 0.000 0.000 . 0 "[ ]"
1 94 ARG 0.000 0.000 . 0 "[ ]"
1 96 ILE 0.000 0.000 . 0 "[ ]"
1 97 GLU 0.000 0.000 . 0 "[ ]"
1 98 GLN 0.000 0.000 . 0 "[ ]"
1 99 VAL 0.000 0.000 . 0 "[ ]"
1 101 GLN 0.000 0.000 . 0 "[ ]"
1 102 GLN 0.000 0.000 . 0 "[ ]"
2 6 VAL 0.000 0.000 . 0 "[ ]"
2 8 VAL 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 56 LEU H 1 56 LEU QB 1.800 . 5.140 2.476 2.476 2.476 . 0 0 "[ ]" 2
2 1 4 PRO QG 1 5 TRP HE1 1.800 . 5.380 2.744 2.744 2.744 . 0 0 "[ ]" 2
3 1 45 LYS H 1 45 LYS HA 1.800 . 4.000 2.901 2.901 2.901 . 0 0 "[ ]" 2
4 1 26 GLY QA 1 45 LYS H 1.800 . 5.170 3.823 3.823 3.823 . 0 0 "[ ]" 2
5 1 44 VAL QG 1 45 LYS H 1.800 . 4.800 2.301 2.301 2.301 . 0 0 "[ ]" 2
6 1 45 LYS HA 1 46 PHE H 1.800 . 3.090 2.183 2.183 2.183 . 0 0 "[ ]" 2
7 1 45 LYS QB 1 46 PHE H 1.800 . 4.540 3.583 3.583 3.583 . 0 0 "[ ]" 2
8 1 66 TRP HE1 1 85 VAL QG 1.800 . 6.090 3.805 3.805 3.805 . 0 0 "[ ]" 2
9 1 41 SER HA 1 42 LEU H 1.800 . 3.300 2.488 2.488 2.488 . 0 0 "[ ]" 2
10 1 42 LEU H 1 42 LEU QD 1.800 . 5.270 3.322 3.322 3.322 . 0 0 "[ ]" 2
11 1 5 TRP HZ3 1 7 PHE H 1.800 . 5.060 3.299 3.299 3.299 . 0 0 "[ ]" 2
12 1 33 SER QB 1 36 ALA H 1.800 . 4.280 2.022 2.022 2.022 . 0 0 "[ ]" 2
13 1 36 ALA H 1 37 PRO QD 1.800 . 4.790 4.270 4.270 4.270 . 0 0 "[ ]" 2
14 1 85 VAL QG 1 92 PHE H 1.800 . 6.330 3.425 3.425 3.425 . 0 0 "[ ]" 2
15 1 54 LYS H 1 54 LYS HA 1.800 . 4.190 2.862 2.862 2.862 . 0 0 "[ ]" 2
16 1 54 LYS H 1 54 LYS QB 1.800 . 4.080 2.300 2.300 2.300 . 0 0 "[ ]" 2
17 1 19 LEU QD 1 51 GLN H 1.800 . 6.370 3.889 3.889 3.889 . 0 0 "[ ]" 2
18 1 44 VAL QG 1 51 GLN H 1.800 . 5.130 2.692 2.692 2.692 . 0 0 "[ ]" 2
19 1 30 ILE MG 1 55 VAL H 1.800 . 5.570 2.991 2.991 2.991 . 0 0 "[ ]" 2
20 1 27 ALA H 1 44 VAL QG 1.800 . 5.870 3.795 3.795 3.795 . 0 0 "[ ]" 2
21 1 85 VAL QG 1 91 ILE H 1.800 . 6.170 2.341 2.341 2.341 . 0 0 "[ ]" 2
22 1 66 TRP HZ2 1 87 ARG H 1.800 . 4.890 4.127 4.127 4.127 . 0 0 "[ ]" 2
23 1 90 GLN QB 1 91 ILE H 1.800 . 5.580 3.629 3.629 3.629 . 0 0 "[ ]" 2
24 1 97 GLU QG 1 98 GLN H 1.800 . 4.580 2.459 2.459 2.459 . 0 0 "[ ]" 2
25 1 96 ILE MG 1 98 GLN H 1.800 . 6.440 3.468 3.468 3.468 . 0 0 "[ ]" 2
26 1 30 ILE HA 1 31 ARG H 1.800 . 3.410 1.963 1.963 1.963 . 0 0 "[ ]" 2
27 1 29 LEU QB 1 31 ARG H 1.800 . 4.680 3.587 3.587 3.587 . 0 0 "[ ]" 2
28 1 98 GLN HA 1 99 VAL H 1.800 . 2.960 2.300 2.300 2.300 . 0 0 "[ ]" 2
29 1 99 VAL H 1 99 VAL QG 1.800 . 4.540 2.539 2.539 2.539 . 0 0 "[ ]" 2
30 1 23 ARG QB 1 25 ASP H 1.800 . 5.670 3.800 3.800 3.800 . 0 0 "[ ]" 2
31 1 31 ARG QD 1 32 GLU H 1.800 . 4.980 3.935 3.935 3.935 . 0 0 "[ ]" 2
32 1 31 ARG QB 1 32 GLU H 1.800 . 4.050 2.861 2.861 2.861 . 0 0 "[ ]" 2
33 1 98 GLN QB 1 99 VAL H 1.800 . 3.580 3.044 3.044 3.044 . 0 0 "[ ]" 2
34 1 101 GLN QG 1 102 GLN H 1.800 . 5.180 3.552 3.552 3.552 . 0 0 "[ ]" 2
35 1 19 LEU QD 1 44 VAL H 1.800 . 5.300 2.428 2.428 2.428 . 0 0 "[ ]" 2
36 1 11 PRO QB 1 15 ALA H 1.800 . 5.240 4.254 4.254 4.254 . 0 0 "[ ]" 2
37 1 67 VAL QG 1 68 VAL H 1.800 . 4.690 2.076 2.076 2.076 . 0 0 "[ ]" 2
38 1 89 GLN QE 1 90 GLN H 1.800 . 5.270 3.999 3.999 3.999 . 0 0 "[ ]" 2
39 1 89 GLN QG 1 90 GLN H 1.800 . 4.410 1.821 1.821 1.821 . 0 0 "[ ]" 2
40 1 69 LYS H 1 69 LYS QD 1.800 . 4.370 1.839 1.839 1.839 . 0 0 "[ ]" 2
41 1 9 LYS QB 1 10 ILE H 1.800 . 5.070 3.582 3.582 3.582 . 0 0 "[ ]" 2
42 1 10 ILE H 1 10 ILE HB 1.800 . 4.040 3.495 3.495 3.495 . 0 0 "[ ]" 2
43 1 9 LYS QG 1 10 ILE H 1.800 . 4.990 3.328 3.328 3.328 . 0 0 "[ ]" 2
44 1 57 ARG HA 1 58 ASP H 1.800 . 3.550 2.234 2.234 2.234 . 0 0 "[ ]" 2
45 1 17 GLU H 1 19 LEU QD 1.800 . 6.160 4.177 4.177 4.177 . 0 0 "[ ]" 2
46 1 16 GLU H 1 17 GLU H 1.800 . 3.320 2.087 2.087 2.087 . 0 0 "[ ]" 2
47 1 14 LYS QB 1 17 GLU H 1.800 . 5.260 4.025 4.025 4.025 . 0 0 "[ ]" 2
48 1 85 VAL H 1 85 VAL HB 1.800 . 4.390 3.368 3.368 3.368 . 0 0 "[ ]" 2
49 1 85 VAL H 1 85 VAL QG 1.800 . 4.790 1.816 1.816 1.816 . 0 0 "[ ]" 2
50 1 5 TRP HH2 1 30 ILE H 1.800 . 4.680 3.799 3.799 3.799 . 0 0 "[ ]" 2
51 1 29 LEU QB 1 30 ILE H 1.800 . 3.740 2.701 2.701 2.701 . 0 0 "[ ]" 2
52 1 94 ARG QB 1 94 ARG HE 1.800 . 5.110 2.062 2.062 2.062 . 0 0 "[ ]" 2
53 1 85 VAL QG 1 93 LEU H 1.800 . 5.470 2.515 2.515 2.515 . 0 0 "[ ]" 2
54 1 46 PHE QD 1 52 HIS H 1.800 . 4.380 3.650 3.650 3.650 . 0 0 "[ ]" 2
55 1 44 VAL QG 1 52 HIS H 1.800 . 6.060 4.053 4.053 4.053 . 0 0 "[ ]" 2
56 1 80 HIS QB 1 93 LEU H 1.800 . 5.140 2.324 2.324 2.324 . 0 0 "[ ]" 2
57 1 45 LYS HA 1 49 ASP H 1.800 . 4.860 4.305 4.305 4.305 . 0 0 "[ ]" 2
58 1 28 PHE H 1 94 ARG QB 1.800 . 5.180 1.858 1.858 1.858 . 0 0 "[ ]" 2
59 1 28 PHE H 1 93 LEU QB 1.800 . 5.120 4.064 4.064 4.064 . 0 0 "[ ]" 2
60 1 19 LEU QD 1 28 PHE H 1.800 . 6.160 3.348 3.348 3.348 . 0 0 "[ ]" 2
61 1 39 ASP QB 1 40 PHE H 1.800 . 4.620 2.289 2.289 2.289 . 0 0 "[ ]" 2
62 1 70 PHE HA 1 71 ASN H 1.800 . 3.290 2.538 2.538 2.538 . 0 0 "[ ]" 2
63 1 71 ASN H 1 75 GLU QB 1.800 . 5.390 2.951 2.951 2.951 . 0 0 "[ ]" 2
64 1 71 ASN H 1 75 GLU QB 1.800 . 5.130 3.100 3.100 3.100 . 0 0 "[ ]" 2
65 1 13 ALA H 1 15 ALA H 1.800 . 4.810 3.806 3.806 3.806 . 0 0 "[ ]" 2
66 1 11 PRO QB 1 13 ALA H 1.800 . 4.150 2.507 2.507 2.507 . 0 0 "[ ]" 2
67 1 16 GLU H 1 19 LEU H 1.800 . 3.760 2.537 2.537 2.537 . 0 0 "[ ]" 2
68 1 17 GLU HA 1 19 LEU H 1.800 . 3.660 2.854 2.854 2.854 . 0 0 "[ ]" 2
69 1 18 MET QB 1 19 LEU H 1.800 . 3.550 2.118 2.118 2.118 . 0 0 "[ ]" 2
70 1 18 MET ME 1 19 LEU H 1.800 . 3.680 2.960 2.960 2.960 . 0 0 "[ ]" 2
71 1 70 PHE QB 1 75 GLU H 1.800 . 4.470 3.353 3.353 3.353 . 0 0 "[ ]" 2
72 1 73 LEU QB 1 75 GLU H 1.800 . 5.200 3.744 3.744 3.744 . 0 0 "[ ]" 2
73 1 88 ASN QD 1 89 GLN H 1.800 . 5.210 4.051 4.051 4.051 . 0 0 "[ ]" 2
74 1 19 LEU H 1 22 GLN H 1.800 . 4.670 3.499 3.499 3.499 . 0 0 "[ ]" 2
75 1 22 GLN H 1 22 GLN QE 1.800 . 5.100 4.281 4.281 4.281 . 0 0 "[ ]" 2
76 1 18 MET ME 1 22 GLN H 1.800 . 4.900 3.440 3.440 3.440 . 0 0 "[ ]" 2
77 1 21 LYS QG 1 22 GLN H 1.800 . 4.960 3.628 3.628 3.628 . 0 0 "[ ]" 2
78 1 87 ARG H 1 89 GLN H 1.800 . 4.760 3.954 3.954 3.954 . 0 0 "[ ]" 2
79 1 85 VAL HA 1 89 GLN H 1.800 . 4.980 2.702 2.702 2.702 . 0 0 "[ ]" 2
80 1 89 GLN H 1 89 GLN QG 1.800 . 4.740 3.344 3.344 3.344 . 0 0 "[ ]" 2
81 1 89 GLN H 1 89 GLN QG 1.800 . 5.170 3.326 3.326 3.326 . 0 0 "[ ]" 2
82 1 11 PRO QD 1 14 LYS H 1.800 . 4.760 3.419 3.419 3.419 . 0 0 "[ ]" 2
83 1 18 MET H 1 19 LEU H 1.800 . 3.740 2.520 2.520 2.520 . 0 0 "[ ]" 2
84 1 40 PHE HA 1 41 SER H 1.800 . 3.310 2.233 2.233 2.233 . 0 0 "[ ]" 2
85 1 30 ILE QG 1 41 SER H 1.800 . 5.050 3.909 3.909 3.909 . 0 0 "[ ]" 2
86 1 30 ILE MG 1 41 SER H 1.800 . 5.050 2.737 2.737 2.737 . 0 0 "[ ]" 2
87 1 63 TYR QB 1 64 PHE H 1.800 . 4.450 2.864 2.864 2.864 . 0 0 "[ ]" 2
88 1 56 LEU QB 1 64 PHE H 1.800 . 5.970 3.627 3.627 3.627 . 0 0 "[ ]" 2
89 1 10 ILE QG 1 31 ARG HE 1.800 . 5.050 2.781 2.781 2.781 . 0 0 "[ ]" 2
90 1 22 GLN HA 1 24 HIS H 1.800 . 4.060 3.387 3.387 3.387 . 0 0 "[ ]" 2
91 1 15 ALA HA 1 16 GLU H 1.800 . 3.670 2.781 2.781 2.781 . 0 0 "[ ]" 2
92 1 11 PRO QG 1 16 GLU H 1.800 . 4.110 2.191 2.191 2.191 . 0 0 "[ ]" 2
93 1 56 LEU QB 1 57 ARG H 1.800 . 4.530 2.437 2.437 2.437 . 0 0 "[ ]" 2
94 1 57 ARG QB 1 57 ARG HE 1.800 . 5.110 2.304 2.304 2.304 . 0 0 "[ ]" 2
95 1 35 SER H 1 36 ALA H 1.800 . 4.580 2.258 2.258 2.258 . 0 0 "[ ]" 2
96 1 18 MET ME 1 20 SER H 1.800 . 5.210 3.868 3.868 3.868 . 0 0 "[ ]" 2
97 1 32 GLU QB 1 38 GLY H 1.800 . 4.830 3.620 3.620 3.620 . 0 0 "[ ]" 2
98 1 33 SER QB 1 35 SER H 1.800 . 4.640 2.650 2.650 2.650 . 0 0 "[ ]" 2
99 1 17 GLU HA 1 20 SER H 1.800 . 3.400 2.690 2.690 2.690 . 0 0 "[ ]" 2
100 1 16 GLU QB 1 20 SER H 1.800 . 5.660 3.904 3.904 3.904 . 0 0 "[ ]" 2
101 1 90 GLN QB 1 90 GLN QE 1.800 . 5.200 1.946 1.946 1.946 . 0 0 "[ ]" 2
102 1 29 LEU H 1 29 LEU QB 1.800 . 3.760 2.198 2.198 2.198 . 0 0 "[ ]" 2
103 1 26 GLY H 1 26 GLY QA 1.800 . 4.100 2.497 2.497 2.497 . 0 0 "[ ]" 2
104 1 26 GLY H 1 27 ALA MB 1.800 . 5.200 3.116 3.116 3.116 . 0 0 "[ ]" 2
105 1 26 GLY H 1 44 VAL QG 1.800 . 5.400 3.387 3.387 3.387 . 0 0 "[ ]" 2
106 1 86 SER H 1 87 ARG QB 1.800 . 4.810 3.778 3.778 3.778 . 0 0 "[ ]" 2
107 1 85 VAL QG 1 86 SER H 1.800 . 5.210 2.242 2.242 2.242 . 0 0 "[ ]" 2
108 1 69 LYS HA 1 72 SER H 1.800 . 3.830 2.914 2.914 2.914 . 0 0 "[ ]" 2
109 1 46 PHE QB 1 51 GLN QE 1.800 . 6.130 4.343 4.343 4.343 . 0 0 "[ ]" 2
110 1 7 PHE H 1 8 GLY H 1.800 . 3.600 2.477 2.477 2.477 . 0 0 "[ ]" 2
111 1 8 GLY H 1 9 LYS QG 1.800 . 5.420 4.207 4.207 4.207 . 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 274
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 3.926
_Distance_constraint_stats_list.Viol_max 0.246
_Distance_constraint_stats_list.Viol_rms 0.0462
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.1190
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 PRO 0.046 0.046 1 0 "[ ]"
1 5 TRP 0.063 0.063 1 0 "[ ]"
1 6 PHE 0.042 0.042 1 0 "[ ]"
1 7 PHE 0.163 0.163 1 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 10 ILE 0.368 0.205 1 0 "[ ]"
1 11 PRO 0.000 0.000 . 0 "[ ]"
1 12 ARG 0.000 0.000 . 0 "[ ]"
1 13 ALA 0.000 0.000 . 0 "[ ]"
1 14 LYS 0.000 0.000 . 0 "[ ]"
1 15 ALA 0.000 0.000 . 0 "[ ]"
1 16 GLU 0.000 0.000 . 0 "[ ]"
1 17 GLU 0.000 0.000 . 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 LEU 0.904 0.246 1 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 LYS 0.000 0.000 . 0 "[ ]"
1 22 GLN 0.242 0.242 1 0 "[ ]"
1 23 ARG 0.000 0.000 . 0 "[ ]"
1 24 HIS 0.000 0.000 . 0 "[ ]"
1 25 ASP 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.025 0.025 1 0 "[ ]"
1 27 ALA 0.288 0.242 1 0 "[ ]"
1 28 PHE 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.896 0.246 1 0 "[ ]"
1 30 ILE 0.112 0.063 1 0 "[ ]"
1 31 ARG 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 GLU 0.000 0.000 . 0 "[ ]"
1 35 SER 0.000 0.000 . 0 "[ ]"
1 37 PRO 0.046 0.046 1 0 "[ ]"
1 40 PHE 0.123 0.073 1 0 "[ ]"
1 41 SER 0.000 0.000 . 0 "[ ]"
1 42 LEU 0.370 0.160 1 0 "[ ]"
1 43 SER 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.233 0.144 1 0 "[ ]"
1 45 LYS 0.564 0.242 1 0 "[ ]"
1 46 PHE 0.144 0.144 1 0 "[ ]"
1 48 ASN 0.000 0.000 . 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 50 VAL 0.401 0.241 1 0 "[ ]"
1 51 GLN 0.000 0.000 . 0 "[ ]"
1 52 HIS 0.000 0.000 . 0 "[ ]"
1 53 PHE 0.188 0.144 1 0 "[ ]"
1 54 LYS 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.239 0.159 1 0 "[ ]"
1 56 LEU 0.000 0.000 . 0 "[ ]"
1 57 ARG 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 GLY 0.000 0.000 . 0 "[ ]"
1 62 LYS 0.000 0.000 . 0 "[ ]"
1 63 TYR 0.209 0.135 1 0 "[ ]"
1 64 PHE 0.000 0.000 . 0 "[ ]"
1 65 LEU 0.424 0.159 1 0 "[ ]"
1 66 TRP 0.000 0.000 . 0 "[ ]"
1 67 VAL 0.111 0.111 1 0 "[ ]"
1 68 VAL 0.000 0.000 . 0 "[ ]"
1 69 LYS 0.000 0.000 . 0 "[ ]"
1 70 PHE 0.135 0.135 1 0 "[ ]"
1 71 ASN 0.000 0.000 . 0 "[ ]"
1 72 SER 0.199 0.180 1 0 "[ ]"
1 73 LEU 0.159 0.159 1 0 "[ ]"
1 74 ASN 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.199 0.180 1 0 "[ ]"
1 76 LEU 0.356 0.135 1 0 "[ ]"
1 77 VAL 0.000 0.000 . 0 "[ ]"
1 78 ASP 0.000 0.000 . 0 "[ ]"
1 79 TYR 0.000 0.000 . 0 "[ ]"
1 80 HIS 0.000 0.000 . 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 83 THR 0.000 0.000 . 0 "[ ]"
1 84 SER 0.000 0.000 . 0 "[ ]"
1 85 VAL 0.219 0.155 1 0 "[ ]"
1 86 SER 0.000 0.000 . 0 "[ ]"
1 87 ARG 0.000 0.000 . 0 "[ ]"
1 89 GLN 0.000 0.000 . 0 "[ ]"
1 90 GLN 0.000 0.000 . 0 "[ ]"
1 91 ILE 0.000 0.000 . 0 "[ ]"
1 92 PHE 0.000 0.000 . 0 "[ ]"
1 93 LEU 0.253 0.155 1 0 "[ ]"
1 94 ARG 0.048 0.025 1 0 "[ ]"
1 96 ILE 0.793 0.246 1 0 "[ ]"
1 97 GLU 0.000 0.000 . 0 "[ ]"
1 98 GLN 0.186 0.186 1 0 "[ ]"
1 99 VAL 0.111 0.111 1 0 "[ ]"
1 100 PRO 0.537 0.226 1 0 "[ ]"
1 102 GLN 0.000 0.000 . 0 "[ ]"
1 103 PRO 0.537 0.226 1 0 "[ ]"
2 6 VAL 0.205 0.160 1 0 "[ ]"
2 8 VAL 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LYS QB 1 11 PRO QD 1.800 . 4.880 1.867 1.867 1.867 . 0 0 "[ ]" 3
2 1 10 ILE QG 1 11 PRO QD 1.800 . 5.640 1.839 1.839 1.839 . 0 0 "[ ]" 3
3 1 10 ILE QG 1 11 PRO QD 1.800 . 5.260 1.840 1.840 1.840 . 0 0 "[ ]" 3
4 1 7 PHE QB 1 11 PRO QD 1.800 . 5.550 2.978 2.978 2.978 . 0 0 "[ ]" 3
5 1 10 ILE QG 1 11 PRO QD 1.800 . 5.570 1.861 1.861 1.861 . 0 0 "[ ]" 3
6 1 100 PRO QB 1 100 PRO QD 1.800 . 5.180 2.130 2.130 2.130 . 0 0 "[ ]" 3
7 1 98 GLN QB 1 100 PRO QD 1.800 . 4.260 1.962 1.962 1.962 . 0 0 "[ ]" 3
8 1 100 PRO QB 1 100 PRO QD 1.800 . 6.210 2.076 2.076 2.076 . 0 0 "[ ]" 3
9 1 99 VAL HA 1 100 PRO QD 1.800 . 3.460 2.158 2.158 2.158 . 0 0 "[ ]" 3
10 1 98 GLN QB 1 100 PRO QD 1.800 . 4.190 1.614 1.614 1.614 0.186 1 0 "[ ]" 3
11 1 4 PRO QB 1 4 PRO QD 1.800 . 4.400 1.943 1.943 1.943 . 0 0 "[ ]" 3
12 1 42 LEU QB 1 42 LEU QD 1.800 . 5.130 1.893 1.893 1.893 . 0 0 "[ ]" 3
13 1 42 LEU QB 1 42 LEU QD 1.800 . 5.740 1.888 1.888 1.888 . 0 0 "[ ]" 3
14 1 26 GLY QA 1 45 LYS QB 1.800 . 5.070 3.179 3.179 3.179 . 0 0 "[ ]" 3
15 1 26 GLY QA 1 44 VAL QG 1.800 . 5.270 2.453 2.453 2.453 . 0 0 "[ ]" 3
16 1 28 PHE QB 1 44 VAL QG 1.800 . 5.780 2.563 2.563 2.563 . 0 0 "[ ]" 3
17 1 10 ILE MD 1 31 ARG QD 1.800 . 5.630 2.489 2.489 2.489 . 0 0 "[ ]" 3
18 1 94 ARG QB 1 94 ARG QD 1.800 . 3.670 1.778 1.778 1.778 0.022 1 0 "[ ]" 3
19 1 70 PHE HA 1 70 PHE QB 1.800 . 4.540 2.414 2.414 2.414 . 0 0 "[ ]" 3
20 1 81 ARG QD 1 94 ARG HA 1.800 . 3.930 2.462 2.462 2.462 . 0 0 "[ ]" 3
21 1 22 GLN HA 1 45 LYS QE 1.800 . 6.320 2.572 2.572 2.572 . 0 0 "[ ]" 3
22 1 25 ASP HA 1 45 LYS QE 1.800 . 5.380 3.213 3.213 3.213 . 0 0 "[ ]" 3
23 1 57 ARG HA 1 57 ARG QD 1.800 . 4.390 2.106 2.106 2.106 . 0 0 "[ ]" 3
24 1 19 LEU QB 1 19 LEU HG 1.800 . 4.880 2.101 2.101 2.101 . 0 0 "[ ]" 3
25 1 65 LEU QB 1 76 LEU QB 1.800 . 5.440 1.709 1.709 1.709 0.091 1 0 "[ ]" 3
26 1 19 LEU QB 1 19 LEU HG 1.800 . 4.980 2.338 2.338 2.338 . 0 0 "[ ]" 3
27 1 6 PHE QE 1 40 PHE QB 1.800 . 4.990 2.203 2.203 2.203 . 0 0 "[ ]" 3
28 1 41 SER QB 1 53 PHE QB 1.800 . 5.160 3.564 3.564 3.564 . 0 0 "[ ]" 3
29 1 9 LYS QB 1 9 LYS QE 1.800 . 3.600 2.031 2.031 2.031 . 0 0 "[ ]" 3
30 1 9 LYS QE 1 9 LYS QG 1.800 . 4.960 2.032 2.032 2.032 . 0 0 "[ ]" 3
31 1 30 ILE HB 1 40 PHE QB 1.800 . 4.810 1.793 1.793 1.793 0.007 1 0 "[ ]" 3
32 1 53 PHE QB 1 65 LEU QD 1.800 . 6.010 1.755 1.755 1.755 0.045 1 0 "[ ]" 3
33 1 55 VAL QG 1 73 LEU QB 1.800 . 4.720 2.197 2.197 2.197 . 0 0 "[ ]" 3
34 1 73 LEU HA 1 73 LEU QB 1.800 . 3.830 2.306 2.306 2.306 . 0 0 "[ ]" 3
35 1 64 PHE QB 1 65 LEU QB 1.800 . 5.510 2.965 2.965 2.965 . 0 0 "[ ]" 3
36 1 55 VAL QG 1 63 TYR QB 1.800 . 5.730 2.514 2.514 2.514 . 0 0 "[ ]" 3
37 1 44 VAL QG 1 46 PHE QB 1.800 . 5.970 3.777 3.777 3.777 . 0 0 "[ ]" 3
38 1 25 ASP QB 1 45 LYS QE 1.800 . 5.460 4.064 4.064 4.064 . 0 0 "[ ]" 3
39 1 7 PHE QB 1 10 ILE MD 1.800 . 5.270 2.239 2.239 2.239 . 0 0 "[ ]" 3
40 1 25 ASP HA 1 25 ASP QB 1.800 . 5.420 2.164 2.164 2.164 . 0 0 "[ ]" 3
41 1 54 LYS QE 1 54 LYS QG 1.800 . 5.920 2.088 2.088 2.088 . 0 0 "[ ]" 3
42 1 85 VAL QG 1 91 ILE HB 1.800 . 4.560 1.823 1.823 1.823 . 0 0 "[ ]" 3
43 1 10 ILE HB 1 10 ILE QG 1.800 . 4.180 2.178 2.178 2.178 . 0 0 "[ ]" 3
44 1 6 PHE HA 1 30 ILE HB 1.800 . 4.050 2.286 2.286 2.286 . 0 0 "[ ]" 3
45 1 30 ILE HB 1 30 ILE MD 1.800 . 4.760 2.359 2.359 2.359 . 0 0 "[ ]" 3
46 1 5 TRP HH2 1 30 ILE HB 1.800 . 3.760 1.830 1.830 1.830 . 0 0 "[ ]" 3
47 1 85 VAL QG 1 93 LEU QB 1.800 . 5.950 1.849 1.849 1.849 . 0 0 "[ ]" 3
48 1 5 TRP HH2 1 74 ASN QB 1.800 . 4.940 3.528 3.528 3.528 . 0 0 "[ ]" 3
49 1 57 ARG QB 1 63 TYR QD 1.800 . 5.730 3.545 3.545 3.545 . 0 0 "[ ]" 3
50 1 72 SER QB 1 75 GLU QG 1.800 . 4.240 1.620 1.620 1.620 0.180 1 0 "[ ]" 3
51 1 6 PHE QB 1 6 PHE QD 1.800 . 5.320 2.225 2.225 2.225 . 0 0 "[ ]" 3
52 1 44 VAL HB 1 46 PHE QE 1.800 . 4.620 3.675 3.675 3.675 . 0 0 "[ ]" 3
53 1 26 GLY QA 1 44 VAL HB 1.800 . 4.640 2.264 2.264 2.264 . 0 0 "[ ]" 3
54 1 42 LEU QD 1 44 VAL HB 1.800 . 5.110 2.062 2.062 2.062 . 0 0 "[ ]" 3
55 1 44 VAL HB 1 85 VAL QG 1.800 . 5.430 2.453 2.453 2.453 . 0 0 "[ ]" 3
56 1 6 PHE QE 1 40 PHE QE 1.800 . 3.390 2.169 2.169 2.169 . 0 0 "[ ]" 3
57 1 40 PHE QD 1 55 VAL QG 1.800 . 5.840 2.647 2.647 2.647 . 0 0 "[ ]" 3
58 1 30 ILE HB 1 40 PHE QD 1.800 . 5.010 3.892 3.892 3.892 . 0 0 "[ ]" 3
59 1 7 PHE QD 1 29 LEU QB 1.800 . 4.440 2.371 2.371 2.371 . 0 0 "[ ]" 3
60 1 7 PHE QD 1 10 ILE MD 1.800 . 5.190 1.637 1.637 1.637 0.163 1 0 "[ ]" 3
61 1 56 LEU QB 1 64 PHE QE 1.800 . 6.050 2.046 2.046 2.046 . 0 0 "[ ]" 3
62 1 46 PHE QE 1 53 PHE QD 1.800 . 4.250 2.201 2.201 2.201 . 0 0 "[ ]" 3
63 1 6 PHE QE 1 6 PHE HZ 1.800 . 4.290 2.182 2.182 2.182 . 0 0 "[ ]" 3
64 1 81 ARG QG 1 92 PHE QD 1.800 . 5.340 3.855 3.855 3.855 . 0 0 "[ ]" 3
65 1 25 ASP HA 1 45 LYS QB 1.800 . 4.880 2.239 2.239 2.239 . 0 0 "[ ]" 3
66 1 67 VAL HB 1 67 VAL QG 1.800 . 4.090 1.851 1.851 1.851 . 0 0 "[ ]" 3
67 1 27 ALA MB 1 45 LYS QB 1.800 . 5.180 1.995 1.995 1.995 . 0 0 "[ ]" 3
68 1 26 GLY QA 1 94 ARG QB 1.800 . 4.970 1.925 1.925 1.925 . 0 0 "[ ]" 3
69 1 29 LEU HG 1 31 ARG QB 1.800 . 5.260 2.047 2.047 2.047 . 0 0 "[ ]" 3
70 1 10 ILE MD 1 31 ARG QB 1.800 . 5.480 2.633 2.633 2.633 . 0 0 "[ ]" 3
71 1 83 THR HA 1 89 GLN QG 1.800 . 5.260 2.236 2.236 2.236 . 0 0 "[ ]" 3
72 1 18 MET QB 1 19 LEU QD 1.800 . 6.120 2.742 2.742 2.742 . 0 0 "[ ]" 3
73 1 10 ILE MD 1 18 MET QB 1.800 . 5.950 2.774 2.774 2.774 . 0 0 "[ ]" 3
74 1 83 THR HA 1 90 GLN QG 1.800 . 4.540 3.186 3.186 3.186 . 0 0 "[ ]" 3
75 1 15 ALA HA 1 18 MET QB 1.800 . 5.350 3.042 3.042 3.042 . 0 0 "[ ]" 3
76 1 45 LYS HA 1 50 VAL HB 1.800 . 4.170 3.001 3.001 3.001 . 0 0 "[ ]" 3
77 1 10 ILE QG 1 11 PRO QB 1.800 . 5.670 3.680 3.680 3.680 . 0 0 "[ ]" 3
78 1 99 VAL HB 1 99 VAL QG 1.800 . 3.670 1.898 1.898 1.898 . 0 0 "[ ]" 3
79 1 60 ALA MB 1 62 LYS QB 1.800 . 4.650 2.781 2.781 2.781 . 0 0 "[ ]" 3
80 1 57 ARG HA 1 57 ARG QB 1.800 . 4.650 2.150 2.150 2.150 . 0 0 "[ ]" 3
81 1 89 GLN QB 1 89 GLN QG 1.800 . 5.130 2.082 2.082 2.082 . 0 0 "[ ]" 3
82 1 89 GLN QB 1 89 GLN QG 1.800 . 5.410 2.085 2.085 2.085 . 0 0 "[ ]" 3
83 1 62 LYS HA 1 62 LYS QB 1.800 . 5.340 2.056 2.056 2.056 . 0 0 "[ ]" 3
84 1 100 PRO QB 1 100 PRO QD 1.800 . 4.880 2.899 2.899 2.899 . 0 0 "[ ]" 3
85 1 9 LYS QB 1 11 PRO QD 1.800 . 5.300 3.002 3.002 3.002 . 0 0 "[ ]" 3
86 1 67 VAL QG 1 68 VAL HB 1.800 . 4.220 1.898 1.898 1.898 . 0 0 "[ ]" 3
87 1 54 LYS HA 1 54 LYS QB 1.800 . 4.670 2.171 2.171 2.171 . 0 0 "[ ]" 3
88 1 54 LYS QB 1 54 LYS QG 1.800 . 5.230 2.013 2.013 2.013 . 0 0 "[ ]" 3
89 1 4 PRO QB 1 4 PRO QD 1.800 . 5.940 2.648 2.648 2.648 . 0 0 "[ ]" 3
90 1 10 ILE MD 1 14 LYS QB 1.800 . 5.230 2.554 2.554 2.554 . 0 0 "[ ]" 3
91 1 14 LYS QG 1 18 MET QG 1.800 . 5.650 2.924 2.924 2.924 . 0 0 "[ ]" 3
92 1 10 ILE MD 1 18 MET QG 1.800 . 6.190 3.410 3.410 3.410 . 0 0 "[ ]" 3
93 1 7 PHE QD 1 18 MET QG 1.800 . 6.140 2.742 2.742 2.742 . 0 0 "[ ]" 3
94 1 72 SER QB 1 75 GLU QB 1.800 . 4.600 1.782 1.782 1.782 0.018 1 0 "[ ]" 3
95 1 9 LYS QB 1 10 ILE HA 1.800 . 4.510 3.749 3.749 3.749 . 0 0 "[ ]" 3
96 1 9 LYS QB 1 9 LYS QG 1.800 . 5.530 2.047 2.047 2.047 . 0 0 "[ ]" 3
97 1 74 ASN HA 1 77 VAL HB 1.800 . 3.870 2.584 2.584 2.584 . 0 0 "[ ]" 3
98 1 12 ARG HA 1 12 ARG QB 1.800 . 5.010 2.099 2.099 2.099 . 0 0 "[ ]" 3
99 1 12 ARG QB 1 12 ARG QD 1.800 . 5.480 2.107 2.107 2.107 . 0 0 "[ ]" 3
100 1 10 ILE QG 1 12 ARG QB 1.800 . 5.460 2.101 2.101 2.101 . 0 0 "[ ]" 3
101 1 81 ARG QB 1 81 ARG QD 1.800 . 4.990 1.905 1.905 1.905 . 0 0 "[ ]" 3
102 1 98 GLN QB 1 98 GLN QG 1.800 . 3.570 1.834 1.834 1.834 . 0 0 "[ ]" 3
103 1 30 ILE MD 1 30 ILE QG 1.800 . 4.970 1.887 1.887 1.887 . 0 0 "[ ]" 3
104 1 5 TRP HH2 1 30 ILE QG 1.800 . 5.200 3.171 3.171 3.171 . 0 0 "[ ]" 3
105 1 21 LYS QB 1 22 GLN QB 1.800 . 5.440 2.904 2.904 2.904 . 0 0 "[ ]" 3
106 1 19 LEU QB 1 96 ILE QG 1.800 . 4.750 2.349 2.349 2.349 . 0 0 "[ ]" 3
107 1 25 ASP HA 1 45 LYS QD 1.800 . 4.600 1.816 1.816 1.816 . 0 0 "[ ]" 3
108 1 22 GLN QG 1 45 LYS QD 1.800 . 4.810 1.993 1.993 1.993 . 0 0 "[ ]" 3
109 1 45 LYS QB 1 45 LYS QD 1.800 . 3.520 1.995 1.995 1.995 . 0 0 "[ ]" 3
110 1 5 TRP HZ2 1 73 LEU QB 1.800 . 4.850 3.280 3.280 3.280 . 0 0 "[ ]" 3
111 1 22 GLN QB 1 23 ARG QG 1.800 . 4.940 2.346 2.346 2.346 . 0 0 "[ ]" 3
112 1 12 ARG HA 1 12 ARG QG 1.800 . 5.330 3.143 3.143 3.143 . 0 0 "[ ]" 3
113 1 11 PRO QB 1 12 ARG QG 1.800 . 5.460 2.090 2.090 2.090 . 0 0 "[ ]" 3
114 1 42 LEU HG 1 44 VAL QG 1.800 . 4.970 3.332 3.332 3.332 . 0 0 "[ ]" 3
115 1 64 PHE QD 1 76 LEU QD 1.800 . 6.010 3.487 3.487 3.487 . 0 0 "[ ]" 3
116 1 63 TYR QB 1 76 LEU QD 1.800 . 5.750 1.665 1.665 1.665 0.135 1 0 "[ ]" 3
117 1 68 VAL QG 1 80 HIS QB 1.800 . 6.580 2.524 2.524 2.524 . 0 0 "[ ]" 3
118 1 100 PRO QD 1 100 PRO QG 1.800 . 4.980 1.574 1.574 1.574 0.226 1 0 "[ ]" 3
119 1 100 PRO QB 1 100 PRO QG 1.800 . 3.510 1.676 1.676 1.676 0.124 1 0 "[ ]" 3
120 1 99 VAL HA 1 100 PRO QG 1.800 . 4.510 3.351 3.351 3.351 . 0 0 "[ ]" 3
121 1 4 PRO QD 1 4 PRO QG 1.800 . 5.170 1.754 1.754 1.754 0.046 1 0 "[ ]" 3
122 1 54 LYS QD 1 76 LEU QD 1.800 . 4.850 1.873 1.873 1.873 . 0 0 "[ ]" 3
123 1 29 LEU QB 1 29 LEU QD 1.800 . 4.560 1.635 1.635 1.635 0.165 1 0 "[ ]" 3
124 1 10 ILE MG 1 29 LEU QD 1.800 . 6.630 3.416 3.416 3.416 . 0 0 "[ ]" 3
125 1 80 HIS QB 1 85 VAL QG 1.800 . 6.000 2.525 2.525 2.525 . 0 0 "[ ]" 3
126 1 54 LYS QD 1 56 LEU QD 1.800 . 5.900 3.878 3.878 3.878 . 0 0 "[ ]" 3
127 1 5 TRP QB 1 81 ARG QG 1.800 . 4.990 3.563 3.563 3.563 . 0 0 "[ ]" 3
128 1 26 GLY QA 1 94 ARG QG 1.800 . 4.030 1.775 1.775 1.775 0.025 1 0 "[ ]" 3
129 1 10 ILE QG 1 14 LYS QB 1.800 . 5.760 1.897 1.897 1.897 . 0 0 "[ ]" 3
130 1 10 ILE HB 1 10 ILE QG 1.800 . 4.920 1.919 1.919 1.919 . 0 0 "[ ]" 3
131 1 26 GLY QA 1 94 ARG QG 1.800 . 4.960 1.930 1.930 1.930 . 0 0 "[ ]" 3
132 1 10 ILE QG 1 11 PRO QD 1.800 . 5.220 1.864 1.864 1.864 . 0 0 "[ ]" 3
133 1 10 ILE MD 1 10 ILE QG 1.800 . 4.440 1.892 1.892 1.892 . 0 0 "[ ]" 3
134 1 57 ARG HA 1 57 ARG QG 1.800 . 5.030 2.137 2.137 2.137 . 0 0 "[ ]" 3
135 1 56 LEU QD 1 65 LEU QB 1.800 . 7.030 3.576 3.576 3.576 . 0 0 "[ ]" 3
136 1 5 TRP HE3 1 29 LEU QD 1.800 . 5.220 2.605 2.605 2.605 . 0 0 "[ ]" 3
137 1 30 ILE QG 1 42 LEU QD 1.800 . 5.840 1.990 1.990 1.990 . 0 0 "[ ]" 3
138 1 12 ARG QD 1 52 HIS HE1 1.800 . 4.450 3.561 3.561 3.561 . 0 0 "[ ]" 3
139 1 29 LEU QD 1 29 LEU HG 1.800 . 3.710 1.855 1.855 1.855 . 0 0 "[ ]" 3
140 1 25 ASP HA 1 45 LYS QG 1.800 . 4.400 2.174 2.174 2.174 . 0 0 "[ ]" 3
141 1 85 VAL QG 1 93 LEU HG 1.800 . 4.920 1.891 1.891 1.891 . 0 0 "[ ]" 3
142 1 29 LEU QD 1 30 ILE HA 1.800 . 6.670 2.656 2.656 2.656 . 0 0 "[ ]" 3
143 1 5 TRP QB 1 29 LEU QD 1.800 . 6.680 2.829 2.829 2.829 . 0 0 "[ ]" 3
144 1 7 PHE QB 1 29 LEU QD 1.800 . 6.190 2.764 2.764 2.764 . 0 0 "[ ]" 3
145 1 29 LEU QB 1 29 LEU QD 1.800 . 4.510 1.635 1.635 1.635 0.165 1 0 "[ ]" 3
146 1 42 LEU QD 1 85 VAL QG 1.800 . 5.980 1.645 1.645 1.645 0.155 1 0 "[ ]" 3
147 1 42 LEU QD 1 44 VAL QG 1.800 . 6.080 2.477 2.477 2.477 . 0 0 "[ ]" 3
148 1 21 LYS QB 1 21 LYS QG 1.800 . 4.560 1.823 1.823 1.823 . 0 0 "[ ]" 3
149 1 9 LYS QB 1 9 LYS QG 1.800 . 3.550 1.830 1.830 1.830 . 0 0 "[ ]" 3
150 1 44 VAL QG 1 93 LEU QD 1.800 . 5.210 1.766 1.766 1.766 0.034 1 0 "[ ]" 3
151 1 24 HIS HD2 1 94 ARG QB 1.800 . 4.160 3.257 3.257 3.257 . 0 0 "[ ]" 3
152 1 5 TRP HH2 1 73 LEU QD 1.800 . 6.100 2.439 2.439 2.439 . 0 0 "[ ]" 3
153 1 55 VAL QG 1 73 LEU QD 1.800 . 5.050 1.863 1.863 1.863 . 0 0 "[ ]" 3
154 1 5 TRP HE3 1 73 LEU QD 1.800 . 6.330 4.289 4.289 4.289 . 0 0 "[ ]" 3
155 1 42 LEU QB 1 65 LEU QD 1.800 . 6.580 2.750 2.750 2.750 . 0 0 "[ ]" 3
156 1 65 LEU QB 1 65 LEU QD 1.800 . 5.620 1.671 1.671 1.671 0.129 1 0 "[ ]" 3
157 1 6 PHE QE 1 73 LEU QD 1.800 . 6.440 2.951 2.951 2.951 . 0 0 "[ ]" 3
158 1 57 ARG QG 1 73 LEU QD 1.800 . 6.160 1.868 1.868 1.868 . 0 0 "[ ]" 3
159 1 54 LYS QD 1 54 LYS QG 1.800 . 4.590 2.099 2.099 2.099 . 0 0 "[ ]" 3
160 1 68 VAL QG 1 79 TYR QE 1.800 . 6.310 3.223 3.223 3.223 . 0 0 "[ ]" 3
161 1 18 MET QB 1 19 LEU QD 1.800 . 5.550 1.891 1.891 1.891 . 0 0 "[ ]" 3
162 1 19 LEU QD 1 19 LEU HG 1.800 . 4.750 1.643 1.643 1.643 0.157 1 0 "[ ]" 3
163 1 19 LEU QD 1 50 VAL QG 1.800 . 5.600 1.559 1.559 1.559 0.241 1 0 "[ ]" 3
164 1 19 LEU QD 1 29 LEU QD 1.800 . 4.840 1.554 1.554 1.554 0.246 1 0 "[ ]" 3
165 1 15 ALA MB 1 50 VAL QG 1.800 . 5.720 3.268 3.268 3.268 . 0 0 "[ ]" 3
166 1 19 LEU QD 1 50 VAL QG 1.800 . 5.870 1.640 1.640 1.640 0.160 1 0 "[ ]" 3
167 1 16 GLU QB 1 19 LEU QD 1.800 . 6.250 2.682 2.682 2.682 . 0 0 "[ ]" 3
168 1 16 GLU QB 1 19 LEU QD 1.800 . 5.630 2.071 2.071 2.071 . 0 0 "[ ]" 3
169 1 5 TRP HE3 1 77 VAL QG 1.800 . 6.210 3.028 3.028 3.028 . 0 0 "[ ]" 3
170 1 30 ILE MD 1 77 VAL QG 1.800 . 5.160 2.407 2.407 2.407 . 0 0 "[ ]" 3
171 1 66 TRP QB 1 68 VAL QG 1.800 . 4.870 2.131 2.131 2.131 . 0 0 "[ ]" 3
172 1 5 TRP HE3 1 93 LEU QD 1.800 . 6.420 4.398 4.398 4.398 . 0 0 "[ ]" 3
173 1 67 VAL HB 1 67 VAL QG 1.800 . 4.930 1.689 1.689 1.689 0.111 1 0 "[ ]" 3
174 1 80 HIS QB 1 93 LEU QD 1.800 . 6.650 2.903 2.903 2.903 . 0 0 "[ ]" 3
175 1 76 LEU QD 1 93 LEU QD 1.800 . 6.100 1.847 1.847 1.847 . 0 0 "[ ]" 3
176 1 42 LEU QB 1 44 VAL QG 1.800 . 6.460 3.364 3.364 3.364 . 0 0 "[ ]" 3
177 1 44 VAL QG 1 46 PHE QE 1.800 . 5.540 1.656 1.656 1.656 0.144 1 0 "[ ]" 3
178 1 26 GLY QA 1 44 VAL QG 1.800 . 5.450 2.231 2.231 2.231 . 0 0 "[ ]" 3
179 1 44 VAL QG 1 85 VAL QG 1.800 . 5.390 2.174 2.174 2.174 . 0 0 "[ ]" 3
180 1 26 GLY QA 1 44 VAL QG 1.800 . 6.410 2.438 2.438 2.438 . 0 0 "[ ]" 3
181 1 46 PHE QE 1 85 VAL QG 1.800 . 6.750 2.091 2.091 2.091 . 0 0 "[ ]" 3
182 1 85 VAL HB 1 85 VAL QG 1.800 . 4.800 1.887 1.887 1.887 . 0 0 "[ ]" 3
183 1 44 VAL QG 1 85 VAL QG 1.800 . 5.930 2.980 2.980 2.980 . 0 0 "[ ]" 3
184 1 40 PHE HA 1 55 VAL QG 1.800 . 6.060 2.290 2.290 2.290 . 0 0 "[ ]" 3
185 1 40 PHE QB 1 55 VAL QG 1.800 . 6.360 1.727 1.727 1.727 0.073 1 0 "[ ]" 3
186 1 54 LYS QG 1 55 VAL QG 1.800 . 5.570 2.099 2.099 2.099 . 0 0 "[ ]" 3
187 1 55 VAL QG 1 65 LEU QD 1.800 . 6.390 1.641 1.641 1.641 0.159 1 0 "[ ]" 3
188 1 53 PHE QE 1 66 TRP HZ2 1.800 . 3.770 2.420 2.420 2.420 . 0 0 "[ ]" 3
189 1 22 GLN QG 1 27 ALA MB 1.800 . 3.990 1.558 1.558 1.558 0.242 1 0 "[ ]" 3
190 1 19 LEU QB 1 27 ALA MB 1.800 . 4.540 2.910 2.910 2.910 . 0 0 "[ ]" 3
191 1 19 LEU HG 1 27 ALA MB 1.800 . 4.100 1.755 1.755 1.755 0.045 1 0 "[ ]" 3
192 1 19 LEU QD 1 43 SER QB 1.800 . 5.140 1.809 1.809 1.809 . 0 0 "[ ]" 3
193 1 11 PRO QB 1 15 ALA MB 1.800 . 5.730 3.583 3.583 3.583 . 0 0 "[ ]" 3
194 1 10 ILE HB 1 15 ALA MB 1.800 . 5.740 3.692 3.692 3.692 . 0 0 "[ ]" 3
195 1 30 ILE HA 1 30 ILE MG 1.800 . 4.500 2.655 2.655 2.655 . 0 0 "[ ]" 3
196 1 30 ILE MD 1 30 ILE MG 1.800 . 4.330 2.044 2.044 2.044 . 0 0 "[ ]" 3
197 1 6 PHE QE 1 30 ILE MG 1.800 . 4.520 1.758 1.758 1.758 0.042 1 0 "[ ]" 3
198 1 10 ILE MG 1 34 GLU QB 1.800 . 5.220 3.549 3.549 3.549 . 0 0 "[ ]" 3
199 1 9 LYS QG 1 10 ILE MG 1.800 . 4.990 3.235 3.235 3.235 . 0 0 "[ ]" 3
200 1 21 LYS QD 1 96 ILE MG 1.800 . 5.800 3.550 3.550 3.550 . 0 0 "[ ]" 3
201 1 96 ILE MG 1 97 GLU QG 1.800 . 5.300 2.870 2.870 2.870 . 0 0 "[ ]" 3
202 1 96 ILE MG 1 97 GLU QB 1.800 . 5.160 2.506 2.506 2.506 . 0 0 "[ ]" 3
203 1 44 VAL QG 1 91 ILE MG 1.800 . 4.470 2.862 2.862 2.862 . 0 0 "[ ]" 3
204 1 86 SER QB 1 87 ARG QB 1.800 . 5.340 3.959 3.959 3.959 . 0 0 "[ ]" 3
205 1 85 VAL QG 1 86 SER QB 1.800 . 5.450 2.170 2.170 2.170 . 0 0 "[ ]" 3
206 1 15 ALA HA 1 18 MET ME 1.800 . 5.100 3.569 3.569 3.569 . 0 0 "[ ]" 3
207 1 14 LYS QE 1 18 MET ME 1.800 . 5.090 1.800 1.800 1.800 . 0 0 "[ ]" 3
208 1 18 MET ME 1 21 LYS QD 1.800 . 4.250 2.667 2.667 2.667 . 0 0 "[ ]" 3
209 1 100 PRO HA 1 100 PRO QG 1.800 . 3.910 3.537 3.537 3.537 . 0 0 "[ ]" 3
210 1 20 SER QB 1 21 LYS QD 1.800 . 5.390 4.267 4.267 4.267 . 0 0 "[ ]" 3
211 1 33 SER HA 1 33 SER QB 1.800 . 4.780 2.049 2.049 2.049 . 0 0 "[ ]" 3
212 1 11 PRO HA 1 11 PRO QG 1.800 . 4.290 2.104 2.104 2.104 . 0 0 "[ ]" 3
213 1 40 PHE QB 1 55 VAL HA 1.800 . 4.860 3.948 3.948 3.948 . 0 0 "[ ]" 3
214 1 55 VAL HA 1 55 VAL QG 1.800 . 4.480 2.017 2.017 2.017 . 0 0 "[ ]" 3
215 1 10 ILE HB 1 10 ILE MD 1.800 . 4.730 2.141 2.141 2.141 . 0 0 "[ ]" 3
216 1 10 ILE MD 1 10 ILE QG 1.800 . 4.580 1.595 1.595 1.595 0.205 1 0 "[ ]" 3
217 1 44 VAL QG 1 50 VAL HA 1.800 . 4.320 2.009 2.009 2.009 . 0 0 "[ ]" 3
218 1 85 VAL QG 1 91 ILE HA 1.800 . 4.900 3.367 3.367 3.367 . 0 0 "[ ]" 3
219 1 16 GLU HA 1 16 GLU QB 1.800 . 3.600 2.089 2.089 2.089 . 0 0 "[ ]" 3
220 1 16 GLU HA 1 19 LEU QD 1.800 . 5.420 2.511 2.511 2.511 . 0 0 "[ ]" 3
221 1 5 TRP HH2 1 30 ILE MD 1.800 . 4.950 1.737 1.737 1.737 0.063 1 0 "[ ]" 3
222 1 30 ILE HA 1 30 ILE MD 1.800 . 4.670 3.489 3.489 3.489 . 0 0 "[ ]" 3
223 1 30 ILE HA 1 30 ILE MD 1.800 . 4.730 2.994 2.994 2.994 . 0 0 "[ ]" 3
224 1 29 LEU QB 1 44 VAL HA 1.800 . 5.120 3.827 3.827 3.827 . 0 0 "[ ]" 3
225 1 44 VAL HA 1 44 VAL QG 1.800 . 4.460 2.331 2.331 2.331 . 0 0 "[ ]" 3
226 1 19 LEU QD 1 44 VAL HA 1.800 . 4.760 1.745 1.745 1.745 0.055 1 0 "[ ]" 3
227 1 33 SER QB 1 35 SER HA 1.800 . 3.800 2.195 2.195 2.195 . 0 0 "[ ]" 3
228 1 19 LEU QD 1 43 SER HA 1.800 . 5.360 2.892 2.892 2.892 . 0 0 "[ ]" 3
229 1 80 HIS HA 1 85 VAL QG 1.800 . 5.530 3.539 3.539 3.539 . 0 0 "[ ]" 3
230 1 81 ARG HA 1 81 ARG QD 1.800 . 4.480 3.411 3.411 3.411 . 0 0 "[ ]" 3
231 1 33 SER HA 1 33 SER QB 1.800 . 3.800 2.508 2.508 2.508 . 0 0 "[ ]" 3
232 1 34 GLU HA 1 34 GLU QB 1.800 . 3.630 2.202 2.202 2.202 . 0 0 "[ ]" 3
233 1 5 TRP HH2 1 6 PHE HA 1.800 . 4.020 3.313 3.313 3.313 . 0 0 "[ ]" 3
234 1 6 PHE HA 1 6 PHE QB 1.800 . 4.680 2.383 2.383 2.383 . 0 0 "[ ]" 3
235 1 10 ILE HA 1 11 PRO QD 1.800 . 3.820 1.806 1.806 1.806 . 0 0 "[ ]" 3
236 1 10 ILE HA 1 10 ILE QG 1.800 . 4.560 3.079 3.079 3.079 . 0 0 "[ ]" 3
237 1 41 SER HA 1 41 SER QB 1.800 . 4.080 2.293 2.293 2.293 . 0 0 "[ ]" 3
238 1 41 SER HA 1 54 LYS QB 1.800 . 4.660 2.315 2.315 2.315 . 0 0 "[ ]" 3
239 1 64 PHE HA 1 64 PHE QB 1.800 . 3.790 2.162 2.162 2.162 . 0 0 "[ ]" 3
240 1 18 MET QB 1 19 LEU HA 1.800 . 4.370 2.469 2.469 2.469 . 0 0 "[ ]" 3
241 1 6 PHE QE 1 40 PHE HA 1.800 . 4.180 1.890 1.890 1.890 . 0 0 "[ ]" 3
242 1 41 SER HA 1 54 LYS QB 1.800 . 4.630 3.714 3.714 3.714 . 0 0 "[ ]" 3
243 1 6 PHE QE 1 32 GLU HA 1.800 . 4.270 2.591 2.591 2.591 . 0 0 "[ ]" 3
244 1 84 SER HA 1 84 SER QB 1.800 . 3.570 2.168 2.168 2.168 . 0 0 "[ ]" 3
245 1 19 LEU HA 1 22 GLN QG 1.800 . 4.260 2.551 2.551 2.551 . 0 0 "[ ]" 3
246 1 19 LEU HA 1 50 VAL QG 1.800 . 5.290 2.379 2.379 2.379 . 0 0 "[ ]" 3
247 1 57 ARG QB 1 63 TYR HA 1.800 . 4.770 3.811 3.811 3.811 . 0 0 "[ ]" 3
248 1 63 TYR HA 1 63 TYR QB 1.800 . 4.190 2.348 2.348 2.348 . 0 0 "[ ]" 3
249 1 55 VAL QG 1 63 TYR HA 1.800 . 4.820 3.357 3.357 3.357 . 0 0 "[ ]" 3
250 1 44 VAL QG 1 45 LYS HA 1.800 . 4.770 2.704 2.704 2.704 . 0 0 "[ ]" 3
251 1 25 ASP HA 1 45 LYS QB 1.800 . 3.990 2.249 2.249 2.249 . 0 0 "[ ]" 3
252 1 9 LYS HA 1 9 LYS QB 1.800 . 3.870 2.186 2.186 2.186 . 0 0 "[ ]" 3
253 1 9 LYS HA 1 32 GLU QB 1.800 . 4.390 2.296 2.296 2.296 . 0 0 "[ ]" 3
254 1 9 LYS HA 1 9 LYS QB 1.800 . 4.970 1.880 1.880 1.880 . 0 0 "[ ]" 3
255 1 81 ARG HA 1 93 LEU HA 1.800 . 5.380 3.889 3.889 3.889 . 0 0 "[ ]" 3
256 1 28 PHE HA 1 44 VAL QG 1.800 . 5.110 3.123 3.123 3.123 . 0 0 "[ ]" 3
257 1 19 LEU QD 1 28 PHE HA 1.800 . 4.500 1.807 1.807 1.807 . 0 0 "[ ]" 3
258 1 26 GLY QA 1 93 LEU HA 1.800 . 4.520 3.537 3.537 3.537 . 0 0 "[ ]" 3
259 1 26 GLY QA 1 93 LEU HA 1.800 . 4.950 2.227 2.227 2.227 . 0 0 "[ ]" 3
260 1 44 VAL QG 1 93 LEU HA 1.800 . 4.810 2.341 2.341 2.341 . 0 0 "[ ]" 3
261 1 85 VAL QG 1 93 LEU HA 1.800 . 4.230 1.736 1.736 1.736 0.064 1 0 "[ ]" 3
262 1 54 LYS HA 1 54 LYS QB 1.800 . 4.210 1.936 1.936 1.936 . 0 0 "[ ]" 3
263 1 13 ALA HA 1 16 GLU QB 1.800 . 3.730 1.822 1.822 1.822 . 0 0 "[ ]" 3
264 1 85 VAL QG 1 86 SER HA 1.800 . 5.510 4.084 4.084 4.084 . 0 0 "[ ]" 3
265 1 29 LEU HA 1 29 LEU QD 1.800 . 5.200 3.132 3.132 3.132 . 0 0 "[ ]" 3
266 1 85 VAL QG 1 92 PHE HA 1.800 . 5.570 2.518 2.518 2.518 . 0 0 "[ ]" 3
267 1 56 LEU HA 1 56 LEU QB 1.800 . 4.080 2.006 2.006 2.006 . 0 0 "[ ]" 3
268 1 45 LYS HA 1 49 ASP HA 1.800 . 4.440 4.131 4.131 4.131 . 0 0 "[ ]" 3
269 1 57 ARG HA 1 57 ARG QB 1.800 . 4.050 2.044 2.044 2.044 . 0 0 "[ ]" 3
270 1 57 ARG HA 1 57 ARG QB 1.800 . 4.150 2.471 2.471 2.471 . 0 0 "[ ]" 3
271 1 30 ILE QG 1 31 ARG HA 1.800 . 4.020 2.163 2.163 2.163 . 0 0 "[ ]" 3
272 1 6 PHE QB 1 31 ARG HA 1.800 . 4.850 2.957 2.957 2.957 . 0 0 "[ ]" 3
273 1 10 ILE MD 1 31 ARG HA 1.800 . 4.990 3.294 3.294 3.294 . 0 0 "[ ]" 3
274 1 31 ARG HA 1 32 GLU QB 1.800 . 4.850 3.959 3.959 3.959 . 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 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 12 ARG 0.000 0.000 . 0 "[ ]"
1 39 ASP 0.000 0.000 . 0 "[ ]"
1 86 SER 0.000 0.000 . 0 "[ ]"
2 2 ASP 0.000 0.000 . 0 "[ ]"
2 3 PRO 0.000 0.000 . 0 "[ ]"
2 6 VAL 0.000 0.000 . 0 "[ ]"
2 8 VAL 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 ARG QD 2 8 VAL QG 1.800 . 9.660 5.714 5.714 5.714 . 0 0 "[ ]" 4
2 1 12 ARG QB 2 2 ASP QB 1.800 . 6.900 3.126 3.126 3.126 . 0 0 "[ ]" 4
3 1 86 SER QB 2 6 VAL QG 1.800 . 9.840 4.481 4.481 4.481 . 0 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 22
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.121
_Distance_constraint_stats_list.Viol_max 0.121
_Distance_constraint_stats_list.Viol_rms 0.0262
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.1213
_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
2 2 ASP 0.000 0.000 . 0 "[ ]"
2 3 PRO 0.000 0.000 . 0 "[ ]"
2 4 SER 0.000 0.000 . 0 "[ ]"
2 6 VAL 0.000 0.000 . 0 "[ ]"
2 8 VAL 0.000 0.000 . 0 "[ ]"
2 9 GLN 0.000 0.000 . 0 "[ ]"
2 11 LEU 0.121 0.121 1 0 "[ ]"
2 13 LYS 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 2 3 PRO HA 2 3 PRO QD 1.800 . 4.760 3.377 3.377 3.377 . 0 0 "[ ]" 5
2 2 2 ASP QB 2 3 PRO HA 1.800 . 4.340 3.446 3.446 3.446 . 0 0 "[ ]" 5
3 2 3 PRO QD 2 4 SER HA 1.800 . 3.550 2.275 2.275 2.275 . 0 0 "[ ]" 5
4 2 2 ASP HA 2 3 PRO QD 1.800 . 5.380 1.829 1.829 1.829 . 0 0 "[ ]" 5
5 2 3 PRO QD 2 8 VAL HA 1.800 . 6.450 5.170 5.170 5.170 . 0 0 "[ ]" 5
6 2 2 ASP HA 2 3 PRO QD 1.800 . 5.390 1.828 1.828 1.828 . 0 0 "[ ]" 5
7 2 2 ASP HA 2 2 ASP QB 1.800 . 4.030 2.238 2.238 2.238 . 0 0 "[ ]" 5
8 2 2 ASP HA 2 2 ASP QB 1.800 . 3.880 2.244 2.244 2.244 . 0 0 "[ ]" 5
9 2 8 VAL QG 2 9 GLN HA 1.800 . 5.510 3.768 3.768 3.768 . 0 0 "[ ]" 5
10 2 4 SER HA 2 8 VAL QG 1.800 . 6.050 2.537 2.537 2.537 . 0 0 "[ ]" 5
11 2 4 SER HA 2 6 VAL HB 1.800 . 5.450 2.765 2.765 2.765 . 0 0 "[ ]" 5
12 2 3 PRO QB 2 3 PRO QD 1.800 . 5.020 2.932 2.932 2.932 . 0 0 "[ ]" 5
13 2 2 ASP QB 2 3 PRO QD 1.800 . 5.950 1.896 1.896 1.896 . 0 0 "[ ]" 5
14 2 2 ASP QB 2 3 PRO QD 1.800 . 6.830 1.896 1.896 1.896 . 0 0 "[ ]" 5
15 2 2 ASP QB 2 3 PRO QB 1.800 . 5.860 1.979 1.979 1.979 . 0 0 "[ ]" 5
16 2 8 VAL QG 2 9 GLN QG 1.800 . 6.530 2.847 2.847 2.847 . 0 0 "[ ]" 5
17 2 2 ASP QB 2 4 SER HA 1.800 . 5.720 3.606 3.606 3.606 . 0 0 "[ ]" 5
18 2 2 ASP QB 2 3 PRO QD 1.800 . 4.890 1.898 1.898 1.898 . 0 0 "[ ]" 5
19 2 2 ASP QB 2 3 PRO QD 1.800 . 5.830 1.898 1.898 1.898 . 0 0 "[ ]" 5
20 2 13 LYS QB 2 13 LYS QG 1.800 . 4.950 1.826 1.826 1.826 . 0 0 "[ ]" 5
21 2 11 LEU QB 2 11 LEU QD 1.800 . 4.590 1.679 1.679 1.679 0.121 1 0 "[ ]" 5
22 2 6 VAL HB 2 6 VAL QG 1.800 . 5.940 1.897 1.897 1.897 . 0 0 "[ ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.093
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0310
_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 5 TRP 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 ALA 0.000 0.000 . 0 "[ ]"
1 28 PHE 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 ILE 0.000 0.000 . 0 "[ ]"
1 31 ARG 0.000 0.000 . 0 "[ ]"
1 40 PHE 0.028 0.028 1 0 "[ ]"
1 41 SER 0.000 0.000 . 0 "[ ]"
1 42 LEU 0.048 0.048 1 0 "[ ]"
1 43 SER 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.000 0.000 . 0 "[ ]"
1 45 LYS 0.000 0.000 . 0 "[ ]"
1 46 PHE 0.000 0.000 . 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 51 GLN 0.000 0.000 . 0 "[ ]"
1 53 PHE 0.048 0.048 1 0 "[ ]"
1 55 VAL 0.028 0.028 1 0 "[ ]"
1 56 LEU 0.017 0.017 1 0 "[ ]"
1 63 TYR 0.000 0.000 . 0 "[ ]"
1 64 PHE 0.017 0.017 1 0 "[ ]"
1 70 PHE 0.000 0.000 . 0 "[ ]"
1 94 ARG 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 TRP O 1 30 ILE H 1.800 . 2.300 2.251 2.251 2.251 . 0 0 "[ ]" 6
2 1 5 TRP O 1 30 ILE N 2.800 2.300 3.300 3.069 3.069 3.069 . 0 0 "[ ]" 6
3 1 31 ARG O 1 41 SER H 1.800 . 2.300 2.091 2.091 2.091 . 0 0 "[ ]" 6
4 1 31 ARG O 1 41 SER N 2.800 2.300 3.300 2.534 2.534 2.534 . 0 0 "[ ]" 6
5 1 31 ARG H 1 41 SER O 1.800 . 2.300 2.015 2.015 2.015 . 0 0 "[ ]" 6
6 1 31 ARG N 1 41 SER O 2.800 2.300 3.300 2.840 2.840 2.840 . 0 0 "[ ]" 6
7 1 29 LEU O 1 43 SER H 1.800 . 2.300 2.078 2.078 2.078 . 0 0 "[ ]" 6
8 1 29 LEU O 1 43 SER N 2.800 2.300 3.300 2.886 2.886 2.886 . 0 0 "[ ]" 6
9 1 29 LEU H 1 43 SER O 1.800 . 2.300 2.093 2.093 2.093 . 0 0 "[ ]" 6
10 1 29 LEU N 1 43 SER O 2.800 2.300 3.300 2.964 2.964 2.964 . 0 0 "[ ]" 6
11 1 27 ALA O 1 45 LYS H 1.800 . 2.300 2.103 2.103 2.103 . 0 0 "[ ]" 6
12 1 27 ALA O 1 45 LYS N 2.800 2.300 3.300 3.003 3.003 3.003 . 0 0 "[ ]" 6
13 1 40 PHE O 1 55 VAL H 1.800 . 2.300 2.328 2.328 2.328 0.028 1 0 "[ ]" 6
14 1 40 PHE O 1 55 VAL N 2.800 2.300 3.300 3.211 3.211 3.211 . 0 0 "[ ]" 6
15 1 42 LEU H 1 53 PHE O 1.800 . 2.300 2.348 2.348 2.348 0.048 1 0 "[ ]" 6
16 1 42 LEU N 1 53 PHE O 2.800 2.300 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 6
17 1 42 LEU O 1 53 PHE H 1.800 . 2.300 1.943 1.943 1.943 . 0 0 "[ ]" 6
18 1 42 LEU O 1 53 PHE N 2.800 2.300 3.300 2.741 2.741 2.741 . 0 0 "[ ]" 6
19 1 44 VAL H 1 51 GLN O 1.800 . 2.300 2.054 2.054 2.054 . 0 0 "[ ]" 6
20 1 44 VAL N 1 51 GLN O 2.800 2.300 3.300 2.831 2.831 2.831 . 0 0 "[ ]" 6
21 1 44 VAL O 1 51 GLN H 1.800 . 2.300 2.213 2.213 2.213 . 0 0 "[ ]" 6
22 1 44 VAL O 1 51 GLN N 2.800 2.300 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 6
23 1 46 PHE H 1 49 ASP O 1.800 . 2.300 2.262 2.262 2.262 . 0 0 "[ ]" 6
24 1 46 PHE N 1 49 ASP O 2.800 2.300 3.300 3.066 3.066 3.066 . 0 0 "[ ]" 6
25 1 56 LEU O 1 64 PHE H 1.800 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 6
26 1 56 LEU O 1 64 PHE N 2.800 2.300 3.300 3.249 3.249 3.249 . 0 0 "[ ]" 6
27 1 56 LEU H 1 64 PHE O 1.800 . 2.300 2.024 2.024 2.024 . 0 0 "[ ]" 6
28 1 56 LEU N 1 64 PHE O 2.800 2.300 3.300 2.934 2.934 2.934 . 0 0 "[ ]" 6
29 1 63 TYR H 1 70 PHE O 1.800 . 2.300 2.091 2.091 2.091 . 0 0 "[ ]" 6
30 1 63 TYR N 1 70 PHE O 2.800 2.300 3.300 3.000 3.000 3.000 . 0 0 "[ ]" 6
31 1 63 TYR O 1 70 PHE H 1.800 . 2.300 2.177 2.177 2.177 . 0 0 "[ ]" 6
32 1 63 TYR O 1 70 PHE N 2.800 2.300 3.300 2.940 2.940 2.940 . 0 0 "[ ]" 6
33 1 28 PHE H 1 94 ARG O 1.800 . 2.300 2.069 2.069 2.069 . 0 0 "[ ]" 6
34 1 28 PHE N 1 94 ARG O 2.800 2.300 3.300 2.916 2.916 2.916 . 0 0 "[ ]" 6
35 1 26 GLY O 1 94 ARG H 1.800 . 2.300 2.079 2.079 2.079 . 0 0 "[ ]" 6
36 1 26 GLY O 1 94 ARG N 2.800 2.300 3.300 2.706 2.706 2.706 . 0 0 "[ ]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 1.340
_Distance_constraint_stats_list.Viol_max 0.440
_Distance_constraint_stats_list.Viol_rms 0.1814
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2234
_Distance_constraint_stats_list.Viol_average_violations_only 0.2234
_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 54 LYS 0.890 0.440 1 0 "[ ]"
1 65 LEU 0.451 0.277 1 0 "[ ]"
2 7 ASN 1.340 0.440 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 54 LYS H 2 7 ASN OD1 1.500 . 1.600 2.040 2.040 2.040 0.440 1 0 "[ ]" 7
2 1 54 LYS N 2 7 ASN OD1 3.000 2.900 3.100 2.869 2.869 2.869 0.031 1 0 "[ ]" 7
3 1 54 LYS O 2 7 ASN HD22 1.500 . 1.600 1.982 1.982 1.982 0.382 1 0 "[ ]" 7
4 1 54 LYS O 2 7 ASN ND2 3.000 2.900 3.100 2.863 2.863 2.863 0.037 1 0 "[ ]" 7
5 1 65 LEU O 2 7 ASN HD21 1.500 . 1.600 1.877 1.877 1.877 0.277 1 0 "[ ]" 7
6 1 65 LEU O 2 7 ASN ND2 3.000 2.900 3.100 2.726 2.726 2.726 0.174 1 0 "[ ]" 7
stop_
save_
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