NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522508 |
2leg   |
17710 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2leg
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 113
_Distance_constraint_stats_list.Viol_count 134
_Distance_constraint_stats_list.Viol_total 357.328
_Distance_constraint_stats_list.Viol_max 0.529
_Distance_constraint_stats_list.Viol_rms 0.1118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0316
_Distance_constraint_stats_list.Viol_average_violations_only 0.2667
_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
2 14 ALA 0.000 0.000 . 0 "[ . 1]"
2 15 TRP 0.387 0.148 7 0 "[ . 1]"
2 18 MET 0.000 0.000 . 0 "[ . 1]"
2 21 THR 0.000 0.000 . 0 "[ . 1]"
2 22 ALA 0.000 0.000 . 0 "[ . 1]"
2 24 ALA 5.069 0.529 10 8 "[ -* *****+]"
2 25 LEU 5.069 0.529 10 8 "[ -* *****+]"
2 26 GLU 0.000 0.000 . 0 "[ . 1]"
2 27 LEU 0.000 0.000 . 0 "[ . 1]"
2 29 ALA 0.000 0.000 . 0 "[ . 1]"
2 30 LEU 0.000 0.000 . 0 "[ . 1]"
2 31 TRP 0.000 0.000 . 0 "[ . 1]"
2 32 PHE 0.000 0.000 . 0 "[ . 1]"
2 33 GLN 0.000 0.000 . 0 "[ . 1]"
2 40 PRO 0.057 0.057 1 0 "[ . 1]"
2 48 ARG 0.000 0.000 . 0 "[ . 1]"
2 49 VAL 0.000 0.000 . 0 "[ . 1]"
2 50 ALA 0.000 0.000 . 0 "[ . 1]"
2 51 LEU 0.138 0.074 7 0 "[ . 1]"
2 52 PHE 0.138 0.074 7 0 "[ . 1]"
2 53 GLY 0.000 0.000 . 0 "[ . 1]"
2 54 VAL 0.000 0.000 . 0 "[ . 1]"
2 55 LEU 0.032 0.032 6 0 "[ . 1]"
2 56 GLY 0.032 0.032 6 0 "[ . 1]"
2 57 ALA 0.640 0.210 9 0 "[ . 1]"
2 58 ALA 0.236 0.148 7 0 "[ . 1]"
2 59 LEU 0.000 0.000 . 0 "[ . 1]"
2 60 ILE 0.000 0.000 . 0 "[ . 1]"
2 61 GLY 0.128 0.058 2 0 "[ . 1]"
2 62 ALA 0.133 0.133 4 0 "[ . 1]"
2 63 ILE 0.000 0.000 . 0 "[ . 1]"
2 64 ALA 5.013 0.512 8 3 "[ - . + *]"
2 65 PRO 6.172 0.512 8 3 "[ - . + *]"
2 66 LYS 0.793 0.250 6 0 "[ . 1]"
2 67 THR 4.519 0.466 8 0 "[ . 1]"
2 68 PRO 4.731 0.466 8 0 "[ . 1]"
2 69 LEU 0.000 0.000 . 0 "[ . 1]"
2 70 ARG 1.836 0.250 6 0 "[ . 1]"
2 71 TYR 1.216 0.287 2 0 "[ . 1]"
2 72 VAL 0.212 0.212 9 0 "[ . 1]"
2 73 ALA 0.000 0.000 . 0 "[ . 1]"
2 74 MET 0.098 0.068 8 0 "[ . 1]"
2 75 VAL 0.000 0.000 . 0 "[ . 1]"
2 76 ILE 0.000 0.000 . 0 "[ . 1]"
2 77 TRP 0.640 0.210 9 0 "[ . 1]"
2 78 LEU 0.000 0.000 . 0 "[ . 1]"
2 82 PHE 0.000 0.000 . 0 "[ . 1]"
2 83 ARG 0.000 0.000 . 0 "[ . 1]"
2 84 GLY 0.000 0.000 . 0 "[ . 1]"
2 86 GLN 0.000 0.000 . 0 "[ . 1]"
2 87 LEU 0.000 0.000 . 0 "[ . 1]"
2 88 THR 0.000 0.000 . 0 "[ . 1]"
2 92 THR 0.000 0.000 . 0 "[ . 1]"
2 93 MET 0.000 0.000 . 0 "[ . 1]"
2 94 LEU 0.000 0.000 . 0 "[ . 1]"
2 95 GLN 0.000 0.000 . 0 "[ . 1]"
2 96 LEU 0.000 0.000 . 0 "[ . 1]"
2 97 TYR 5.147 0.510 6 3 "[ .+-* 1]"
2 98 PRO 5.147 0.510 6 3 "[ .+-* 1]"
2 99 SER 5.298 0.516 2 6 "[ +*-. ***]"
2 100 PRO 5.298 0.516 2 6 "[ +*-. ***]"
2 102 ALA 4.963 0.517 1 4 "[+ -* * 1]"
2 103 THR 5.029 0.517 1 4 "[+ -* * 1]"
2 104 CYS 0.000 0.000 . 0 "[ . 1]"
2 105 ASP 0.067 0.067 4 0 "[ . 1]"
2 108 VAL 0.488 0.196 2 0 "[ . 1]"
2 110 PHE 0.501 0.101 2 0 "[ . 1]"
2 111 PRO 0.501 0.101 2 0 "[ . 1]"
2 113 TRP 0.000 0.000 . 0 "[ . 1]"
2 115 PRO 0.000 0.000 . 0 "[ . 1]"
2 117 ASP 0.597 0.196 2 0 "[ . 1]"
2 118 LYS 0.109 0.109 3 0 "[ . 1]"
2 121 PRO 0.000 0.000 . 0 "[ . 1]"
2 126 ALA 0.057 0.057 1 0 "[ . 1]"
2 145 TRP 0.000 0.000 . 0 "[ . 1]"
2 146 LEU 0.000 0.000 . 0 "[ . 1]"
2 147 LEU 0.000 0.000 . 0 "[ . 1]"
2 148 GLY 0.000 0.000 . 0 "[ . 1]"
2 149 ILE 0.000 0.000 . 0 "[ . 1]"
2 150 PHE 0.000 0.000 . 0 "[ . 1]"
2 151 ILE 0.000 0.000 . 0 "[ . 1]"
2 152 ALA 0.000 0.000 . 0 "[ . 1]"
2 153 TYR 0.000 0.000 . 0 "[ . 1]"
2 154 LEU 0.000 0.000 . 0 "[ . 1]"
2 155 ILE 0.000 0.000 . 0 "[ . 1]"
2 156 VAL 0.000 0.000 . 0 "[ . 1]"
2 157 ALA 0.098 0.068 8 0 "[ . 1]"
2 158 VAL 0.000 0.000 . 0 "[ . 1]"
2 159 LEU 0.000 0.000 . 0 "[ . 1]"
2 160 VAL 0.876 0.247 5 0 "[ . 1]"
2 161 VAL 0.000 0.000 . 0 "[ . 1]"
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 14 ALA CA 2 15 TRP CA . 3.000 5.000 3.813 3.782 3.847 . 0 0 "[ . 1]" 1
2 2 24 ALA CA 2 27 LEU CB 6.000 3.000 9.000 4.509 3.997 5.025 . 0 0 "[ . 1]" 1
3 2 30 LEU CB 2 32 PHE CA 6.000 3.000 9.000 7.200 6.487 8.193 . 0 0 "[ . 1]" 1
4 2 40 PRO CD 2 126 ALA CA 6.000 3.000 9.000 7.197 5.274 9.057 0.057 1 0 "[ . 1]" 1
5 2 51 LEU CB 2 53 GLY CA 6.000 3.000 9.000 6.801 6.674 6.914 . 0 0 "[ . 1]" 1
6 2 50 ALA CA 2 53 GLY CA 6.000 3.000 9.000 4.989 4.705 5.188 . 0 0 "[ . 1]" 1
7 2 52 PHE CA 2 53 GLY CA 6.000 3.000 7.500 3.796 3.785 3.809 . 0 0 "[ . 1]" 1
8 2 53 GLY CA 2 54 VAL CA 6.000 3.000 9.000 3.811 3.787 3.841 . 0 0 "[ . 1]" 1
9 2 53 GLY CA 2 55 LEU CB 6.000 3.000 9.000 6.246 5.874 6.735 . 0 0 "[ . 1]" 1
10 2 55 LEU CB 2 56 GLY CA . 3.000 5.000 4.413 4.294 4.505 . 0 0 "[ . 1]" 1
11 2 56 GLY CA 2 57 ALA CA . 3.000 5.000 3.795 3.777 3.811 . 0 0 "[ . 1]" 1
12 2 57 ALA CA 2 60 ILE CA 6.000 3.000 9.000 5.007 4.700 5.536 . 0 0 "[ . 1]" 1
13 2 56 GLY CA 2 59 LEU CB 6.000 3.000 7.500 4.501 3.870 5.500 . 0 0 "[ . 1]" 1
14 2 61 GLY CA 2 62 ALA CA 6.000 3.000 6.000 3.810 3.780 3.857 . 0 0 "[ . 1]" 1
15 2 70 ARG CD 2 71 TYR CA 6.000 3.000 9.000 5.506 3.801 7.482 . 0 0 "[ . 1]" 1
16 2 96 LEU CB 2 97 TYR CA . 3.000 5.000 4.707 4.290 4.977 . 0 0 "[ . 1]" 1
17 2 99 SER CA 2 100 PRO CD 6.000 3.000 9.000 2.970 2.918 3.004 0.082 10 0 "[ . 1]" 1
18 2 158 VAL CA 2 159 LEU CB 6.000 3.000 9.000 4.890 4.843 4.947 . 0 0 "[ . 1]" 1
19 2 21 THR N 2 24 ALA CA 6.000 3.000 9.000 5.393 5.236 5.696 . 0 0 "[ . 1]" 1
20 2 48 ARG CD 2 49 VAL N 6.000 3.000 9.000 5.264 4.346 5.672 . 0 0 "[ . 1]" 1
21 2 51 LEU CB 2 52 PHE N 6.000 3.000 9.000 3.037 2.926 3.108 0.074 7 0 "[ . 1]" 1
22 2 53 GLY N 2 57 ALA CA 6.000 3.000 9.000 6.574 5.775 7.175 . 0 0 "[ . 1]" 1
23 2 54 VAL N 2 55 LEU CB 6.000 3.000 9.000 5.081 4.951 5.295 . 0 0 "[ . 1]" 1
24 2 55 LEU CB 2 56 GLY N 6.000 3.000 9.000 3.087 2.968 3.184 0.032 6 0 "[ . 1]" 1
25 2 61 GLY N 2 65 PRO CD 6.000 3.000 9.000 7.392 5.380 9.058 0.058 2 0 "[ . 1]" 1
26 2 62 ALA CA 2 65 PRO N 6.000 3.000 9.000 6.292 4.686 8.165 . 0 0 "[ . 1]" 1
27 2 64 ALA CA 2 65 PRO N 6.000 3.000 9.000 2.521 2.488 2.558 0.512 8 3 "[ - . + *]" 1
28 2 65 PRO N 2 70 ARG CD 6.000 3.000 9.000 6.505 5.250 7.666 . 0 0 "[ . 1]" 1
29 2 65 PRO N 2 71 TYR CA 6.000 3.000 9.000 9.104 8.829 9.287 0.287 2 0 "[ . 1]" 1
30 2 66 LYS CA 2 68 PRO N 6.000 3.000 9.000 4.946 4.433 5.494 . 0 0 "[ . 1]" 1
31 2 67 THR CA 2 68 PRO N 6.000 3.000 9.000 2.548 2.534 2.582 0.466 8 0 "[ . 1]" 1
32 2 68 PRO CD 2 72 VAL N 6.000 3.000 9.000 8.765 8.010 9.212 0.212 9 0 "[ . 1]" 1
33 2 75 VAL N 2 78 LEU CB 6.000 3.000 9.000 4.571 4.196 5.096 . 0 0 "[ . 1]" 1
34 2 83 ARG CD 2 84 GLY N 6.000 3.000 9.000 4.801 3.424 5.498 . 0 0 "[ . 1]" 1
35 2 84 GLY N 2 87 LEU CB 6.000 3.000 9.000 5.150 4.472 6.735 . 0 0 "[ . 1]" 1
36 2 92 THR N 2 94 LEU CB 6.000 3.000 9.000 5.092 4.833 5.386 . 0 0 "[ . 1]" 1
37 2 97 TYR CA 2 98 PRO N 6.000 3.000 9.000 2.508 2.490 2.530 0.510 6 3 "[ .+-* 1]" 1
38 2 99 SER CA 2 100 PRO N 6.000 3.000 9.000 2.501 2.484 2.527 0.516 2 6 "[ +*-. ***]" 1
39 2 102 ALA CA 2 103 THR N 6.000 3.000 9.000 2.504 2.483 2.521 0.517 1 4 "[+ -* * 1]" 1
40 2 103 THR N 2 104 CYS CB 6.000 3.000 9.000 5.922 5.619 6.056 . 0 0 "[ . 1]" 1
41 2 117 ASP CB 2 121 PRO N 6.000 3.000 9.000 6.446 5.113 7.442 . 0 0 "[ . 1]" 1
42 2 147 LEU CB 2 148 GLY N 6.000 3.000 9.000 3.268 3.114 3.386 . 0 0 "[ . 1]" 1
43 2 153 TYR N 2 154 LEU CB 6.000 3.000 9.000 4.832 4.730 5.027 . 0 0 "[ . 1]" 1
44 2 70 ARG CD 2 160 VAL N 6.000 3.000 9.000 9.019 8.512 9.247 0.247 5 0 "[ . 1]" 1
45 2 70 ARG CD 2 161 VAL N 6.000 3.000 9.000 6.950 6.065 8.367 . 0 0 "[ . 1]" 1
46 2 22 ALA CA 2 25 LEU CB 6.000 3.000 7.500 4.587 4.091 4.910 . 0 0 "[ . 1]" 1
47 2 24 ALA CA 2 25 LEU CB 6.000 3.000 9.000 4.955 4.920 4.984 . 0 0 "[ . 1]" 1
48 2 31 TRP CA 2 32 PHE CA . 3.000 5.000 3.806 3.777 3.838 . 0 0 "[ . 1]" 1
49 2 49 VAL CB 2 50 ALA CA 6.000 3.000 9.000 4.520 4.459 4.609 . 0 0 "[ . 1]" 1
50 2 49 VAL CA 2 50 ALA CA 6.000 3.000 9.000 3.791 3.762 3.819 . 0 0 "[ . 1]" 1
51 2 54 VAL CB 2 55 LEU CB 6.000 3.000 6.000 5.340 5.133 5.523 . 0 0 "[ . 1]" 1
52 2 58 ALA CA 2 59 LEU CB 6.000 3.000 9.000 4.854 4.744 4.943 . 0 0 "[ . 1]" 1
53 2 69 LEU CB 2 70 ARG CD 6.000 3.000 9.000 7.673 7.450 7.921 . 0 0 "[ . 1]" 1
54 2 64 ALA CA 2 70 ARG CD 6.000 3.000 9.000 7.747 5.232 9.204 0.204 10 0 "[ . 1]" 1
55 2 69 LEU C 2 70 ARG CD 6.000 3.000 9.000 5.268 4.926 5.460 . 0 0 "[ . 1]" 1
56 2 70 ARG CD 2 74 MET CA 6.000 3.000 9.000 7.088 5.941 8.756 . 0 0 "[ . 1]" 1
57 2 72 VAL CA 2 73 ALA CA 6.000 3.000 9.000 3.797 3.778 3.827 . 0 0 "[ . 1]" 1
58 2 73 ALA CA 2 74 MET CA 6.000 3.000 9.000 3.803 3.787 3.832 . 0 0 "[ . 1]" 1
59 2 74 MET CA 2 75 VAL CB 6.000 3.000 9.000 4.880 4.854 4.901 . 0 0 "[ . 1]" 1
60 2 73 ALA CA 2 76 ILE CB 6.000 3.000 9.000 4.692 3.940 5.728 . 0 0 "[ . 1]" 1
61 2 83 ARG CA 2 84 GLY CA 6.000 3.000 9.000 3.776 3.752 3.800 . 0 0 "[ . 1]" 1
62 2 83 ARG CA 2 87 LEU CG 6.000 3.000 9.000 5.898 4.975 7.036 . 0 0 "[ . 1]" 1
63 2 93 MET CA 2 97 TYR CA 6.000 3.000 9.000 6.801 5.886 7.985 . 0 0 "[ . 1]" 1
64 2 94 LEU CB 2 99 SER CA 6.000 3.000 9.000 6.599 5.397 7.352 . 0 0 "[ . 1]" 1
65 2 97 TYR CA 2 98 PRO CD . 3.000 5.000 2.979 2.938 3.015 0.062 8 0 "[ . 1]" 1
66 2 99 SER CA 2 102 ALA CA 6.000 3.000 9.000 6.856 5.424 8.475 . 0 0 "[ . 1]" 1
67 2 110 PHE CA 2 111 PRO CD 6.000 3.000 9.000 2.950 2.899 3.001 0.101 2 0 "[ . 1]" 1
68 2 113 TRP CA 2 115 PRO CD 6.000 3.000 7.500 5.544 4.027 6.472 . 0 0 "[ . 1]" 1
69 2 145 TRP CA 2 148 GLY CA 6.000 3.000 9.000 5.712 5.017 6.350 . 0 0 "[ . 1]" 1
70 2 146 LEU CB 2 148 GLY CA 6.000 3.000 9.000 6.748 6.432 7.038 . 0 0 "[ . 1]" 1
71 2 148 GLY CA 2 151 ILE CA 6.000 3.000 9.000 5.219 4.791 5.679 . 0 0 "[ . 1]" 1
72 2 156 VAL CA 2 159 LEU CB 6.000 3.000 9.000 4.632 4.221 5.075 . 0 0 "[ . 1]" 1
73 2 156 VAL CB 2 159 LEU CB 6.000 3.000 9.000 5.829 5.401 6.305 . 0 0 "[ . 1]" 1
74 2 159 LEU CB 2 160 VAL CA 6.000 3.000 9.000 4.489 4.420 4.639 . 0 0 "[ . 1]" 1
75 2 70 ARG CD 2 160 VAL CB 6.000 3.000 9.000 7.783 7.367 8.364 . 0 0 "[ . 1]" 1
76 2 159 LEU CB 2 160 VAL CB 6.000 3.000 9.000 5.416 5.166 5.755 . 0 0 "[ . 1]" 1
77 2 15 TRP CB 2 58 ALA CB 6.000 3.000 9.000 8.076 6.111 9.148 0.148 7 0 "[ . 1]" 1
78 2 15 TRP CB 2 61 GLY C 6.000 3.000 9.000 7.638 5.582 9.018 0.018 10 0 "[ . 1]" 1
79 2 15 TRP CB 2 62 ALA C 6.000 3.000 9.000 6.543 4.859 9.133 0.133 4 0 "[ . 1]" 1
80 2 24 ALA C 2 25 LEU CA 6.000 3.000 9.000 2.493 2.471 2.507 0.529 10 8 "[ -* *****+]" 1
81 2 26 GLU CB 2 29 ALA C 6.000 3.000 9.000 7.117 6.785 7.393 . 0 0 "[ . 1]" 1
82 2 29 ALA CB 2 33 GLN CB 6.000 3.000 9.000 7.426 6.360 8.901 . 0 0 "[ . 1]" 1
83 2 48 ARG CG 2 52 PHE CB 6.000 3.000 9.000 6.254 4.202 7.572 . 0 0 "[ . 1]" 1
84 2 57 ALA CB 2 76 ILE CG1 6.000 3.000 9.000 5.131 3.350 6.925 . 0 0 "[ . 1]" 1
85 2 57 ALA CB 2 77 TRP CB 6.000 3.000 9.000 8.864 8.097 9.210 0.210 9 0 "[ . 1]" 1
86 2 18 MET CG 2 58 ALA CB 6.000 3.000 9.000 5.721 4.256 8.202 . 0 0 "[ . 1]" 1
87 2 56 GLY C 2 60 ILE CG1 6.000 3.000 9.000 4.451 3.142 6.367 . 0 0 "[ . 1]" 1
88 2 56 GLY C 2 60 ILE CG2 6.000 3.000 9.000 5.527 4.739 6.771 . 0 0 "[ . 1]" 1
89 2 61 GLY C 2 63 ILE CG1 6.000 3.000 9.000 5.488 4.027 6.419 . 0 0 "[ . 1]" 1
90 2 65 PRO CG 2 66 LYS CE 6.000 3.000 9.000 7.005 5.642 9.052 0.052 5 0 "[ . 1]" 1
91 2 67 THR CG2 2 68 PRO CG 6.000 3.000 9.000 6.191 5.263 6.863 . 0 0 "[ . 1]" 1
92 2 66 LYS CE 2 70 ARG CG 6.000 3.000 9.000 8.757 6.344 9.250 0.250 6 0 "[ . 1]" 1
93 2 73 ALA CB 2 74 MET CB 6.000 3.000 9.000 5.364 5.044 5.661 . 0 0 "[ . 1]" 1
94 2 73 ALA C 2 74 MET CG 6.000 3.000 9.000 4.580 3.943 4.982 . 0 0 "[ . 1]" 1
95 2 53 GLY C 2 76 ILE CG1 6.000 3.000 9.000 7.050 5.173 8.674 . 0 0 "[ . 1]" 1
96 2 73 ALA C 2 77 TRP CB 6.000 3.000 9.000 4.448 4.115 5.208 . 0 0 "[ . 1]" 1
97 2 74 MET C 2 77 TRP CB 6.000 3.000 9.000 4.419 3.794 4.765 . 0 0 "[ . 1]" 1
98 2 77 TRP CB 2 157 ALA CB 6.000 3.000 9.000 5.161 3.801 7.023 . 0 0 "[ . 1]" 1
99 2 50 ALA CB 2 84 GLY C 6.000 3.000 9.000 6.610 4.738 8.062 . 0 0 "[ . 1]" 1
100 2 82 PHE CB 2 86 GLN CB 6.000 3.000 9.000 6.665 5.602 7.419 . 0 0 "[ . 1]" 1
101 2 86 GLN CB 2 87 LEU CA 6.000 3.000 9.000 4.571 4.400 4.754 . 0 0 "[ . 1]" 1
102 2 88 THR CG2 2 150 PHE CB 6.000 3.000 9.000 4.390 3.220 6.496 . 0 0 "[ . 1]" 1
103 2 92 THR C 2 95 GLN CB 6.000 3.000 6.000 4.155 3.763 4.594 . 0 0 "[ . 1]" 1
104 2 103 THR CG2 2 105 ASP CB 6.000 3.000 9.000 6.534 5.192 9.067 0.067 4 0 "[ . 1]" 1
105 2 108 VAL CG1 2 117 ASP CB 6.000 3.000 9.000 8.525 6.898 9.196 0.196 2 0 "[ . 1]" 1
106 2 117 ASP CB 2 118 LYS CD 6.000 3.000 7.500 6.639 5.317 7.609 0.109 3 0 "[ . 1]" 1
107 2 146 LEU CA 2 149 ILE CG1 6.000 3.000 9.000 5.681 3.834 6.757 . 0 0 "[ . 1]" 1
108 2 148 GLY C 2 149 ILE CG1 6.000 3.000 6.000 4.765 4.483 4.944 . 0 0 "[ . 1]" 1
109 2 149 ILE CG2 2 150 PHE CB 6.000 3.000 9.000 5.213 4.348 6.802 . 0 0 "[ . 1]" 1
110 2 152 ALA C 2 155 ILE CG1 6.000 3.000 9.000 4.675 3.708 6.270 . 0 0 "[ . 1]" 1
111 2 74 MET CG 2 157 ALA CB 6.000 3.000 9.000 8.461 6.385 9.068 0.068 8 0 "[ . 1]" 1
112 2 157 ALA C 2 158 VAL CG1 6.000 3.000 9.000 4.605 4.146 4.923 . 0 0 "[ . 1]" 1
113 2 157 ALA C 2 158 VAL CG2 6.000 3.000 9.000 4.368 3.977 4.915 . 0 0 "[ . 1]" 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 375
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 203.448
_Distance_constraint_stats_list.Viol_max 0.699
_Distance_constraint_stats_list.Viol_rms 0.0407
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.1995
_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 14 ALA 0.000 0.000 . 0 "[ . 1]"
2 15 TRP 0.893 0.098 1 0 "[ . 1]"
2 16 LEU 0.893 0.098 1 0 "[ . 1]"
2 17 LEU 0.893 0.098 1 0 "[ . 1]"
2 18 MET 0.000 0.000 . 0 "[ . 1]"
2 19 ALA 0.000 0.000 . 0 "[ . 1]"
2 20 PHE 0.000 0.000 . 0 "[ . 1]"
2 21 THR 0.000 0.000 . 0 "[ . 1]"
2 22 ALA 3.250 0.439 8 0 "[ . 1]"
2 23 LEU 0.893 0.098 1 0 "[ . 1]"
2 24 ALA 0.000 0.000 . 0 "[ . 1]"
2 25 LEU 0.893 0.098 1 0 "[ . 1]"
2 26 GLU 3.250 0.439 8 0 "[ . 1]"
2 27 LEU 1.361 0.242 6 0 "[ . 1]"
2 28 THR 0.468 0.242 6 0 "[ . 1]"
2 29 ALA 0.893 0.098 1 0 "[ . 1]"
2 30 LEU 0.893 0.098 1 0 "[ . 1]"
2 31 TRP 0.000 0.000 . 0 "[ . 1]"
2 32 PHE 0.000 0.000 . 0 "[ . 1]"
2 33 GLN 0.000 0.000 . 0 "[ . 1]"
2 34 HIS 0.069 0.069 4 0 "[ . 1]"
2 35 VAL 0.000 0.000 . 0 "[ . 1]"
2 36 MET 0.069 0.069 4 0 "[ . 1]"
2 37 LEU 0.000 0.000 . 0 "[ . 1]"
2 38 LEU 0.000 0.000 . 0 "[ . 1]"
2 39 LYS 0.000 0.000 . 0 "[ . 1]"
2 40 PRO 0.000 0.000 . 0 "[ . 1]"
2 42 VAL 0.000 0.000 . 0 "[ . 1]"
2 43 LEU 0.000 0.000 . 0 "[ . 1]"
2 44 CYS 0.000 0.000 . 0 "[ . 1]"
2 45 ILE 0.000 0.000 . 0 "[ . 1]"
2 46 TYR 0.000 0.000 . 0 "[ . 1]"
2 47 GLU 0.000 0.000 . 0 "[ . 1]"
2 48 ARG 0.262 0.171 10 0 "[ . 1]"
2 49 VAL 0.262 0.171 10 0 "[ . 1]"
2 50 ALA 0.893 0.098 1 0 "[ . 1]"
2 51 LEU 0.893 0.098 1 0 "[ . 1]"
2 52 PHE 0.893 0.098 1 0 "[ . 1]"
2 53 GLY 0.000 0.000 . 0 "[ . 1]"
2 54 VAL 0.000 0.000 . 0 "[ . 1]"
2 55 LEU 0.000 0.000 . 0 "[ . 1]"
2 56 GLY 0.337 0.297 7 0 "[ . 1]"
2 57 ALA 0.893 0.098 1 0 "[ . 1]"
2 58 ALA 0.893 0.098 1 0 "[ . 1]"
2 59 LEU 2.481 0.695 5 1 "[ + 1]"
2 60 ILE 1.445 0.522 9 1 "[ . +1]"
2 61 GLY 0.000 0.000 . 0 "[ . 1]"
2 62 ALA 1.588 0.695 5 1 "[ + 1]"
2 63 ILE 1.108 0.522 9 1 "[ . +1]"
2 64 ALA 0.000 0.000 . 0 "[ . 1]"
2 65 PRO 0.120 0.075 8 0 "[ . 1]"
2 66 LYS 0.000 0.000 . 0 "[ . 1]"
2 67 THR 0.000 0.000 . 0 "[ . 1]"
2 68 PRO 3.593 0.699 1 2 "[+- . 1]"
2 69 LEU 0.000 0.000 . 0 "[ . 1]"
2 70 ARG 3.670 0.699 1 2 "[+- . 1]"
2 71 TYR 0.000 0.000 . 0 "[ . 1]"
2 72 VAL 0.000 0.000 . 0 "[ . 1]"
2 73 ALA 0.000 0.000 . 0 "[ . 1]"
2 74 MET 0.196 0.107 6 0 "[ . 1]"
2 75 VAL 0.000 0.000 . 0 "[ . 1]"
2 76 ILE 0.000 0.000 . 0 "[ . 1]"
2 77 TRP 0.000 0.000 . 0 "[ . 1]"
2 78 LEU 0.000 0.000 . 0 "[ . 1]"
2 79 TYR 0.000 0.000 . 0 "[ . 1]"
2 80 SER 0.016 0.016 8 0 "[ . 1]"
2 81 ALA 0.000 0.000 . 0 "[ . 1]"
2 82 PHE 0.016 0.016 8 0 "[ . 1]"
2 83 ARG 0.442 0.301 2 0 "[ . 1]"
2 84 GLY 0.000 0.000 . 0 "[ . 1]"
2 85 VAL 0.000 0.000 . 0 "[ . 1]"
2 86 GLN 0.442 0.301 2 0 "[ . 1]"
2 87 LEU 0.000 0.000 . 0 "[ . 1]"
2 88 THR 0.000 0.000 . 0 "[ . 1]"
2 90 GLU 0.000 0.000 . 0 "[ . 1]"
2 91 HIS 0.000 0.000 . 0 "[ . 1]"
2 92 THR 0.000 0.000 . 0 "[ . 1]"
2 93 MET 0.000 0.000 . 0 "[ . 1]"
2 94 LEU 0.000 0.000 . 0 "[ . 1]"
2 95 GLN 0.000 0.000 . 0 "[ . 1]"
2 96 LEU 0.000 0.000 . 0 "[ . 1]"
2 97 TYR 0.000 0.000 . 0 "[ . 1]"
2 98 PRO 0.000 0.000 . 0 "[ . 1]"
2 99 SER 0.000 0.000 . 0 "[ . 1]"
2 100 PRO 1.183 0.471 7 0 "[ . 1]"
2 102 ALA 1.959 0.471 7 0 "[ . 1]"
2 103 THR 0.000 0.000 . 0 "[ . 1]"
2 104 CYS 2.718 0.502 6 1 "[ .+ 1]"
2 105 ASP 0.012 0.012 5 0 "[ . 1]"
2 108 VAL 1.953 0.502 6 1 "[ .+ 1]"
2 109 ARG 0.410 0.329 7 0 "[ . 1]"
2 110 PHE 0.000 0.000 . 0 "[ . 1]"
2 111 PRO 0.410 0.329 7 0 "[ . 1]"
2 112 GLU 0.000 0.000 . 0 "[ . 1]"
2 113 TRP 0.000 0.000 . 0 "[ . 1]"
2 114 LEU 0.000 0.000 . 0 "[ . 1]"
2 115 PRO 1.526 0.353 5 0 "[ . 1]"
2 116 LEU 0.000 0.000 . 0 "[ . 1]"
2 117 ASP 0.151 0.151 7 0 "[ . 1]"
2 118 LYS 0.000 0.000 . 0 "[ . 1]"
2 119 TRP 0.000 0.000 . 0 "[ . 1]"
2 120 VAL 0.294 0.151 7 0 "[ . 1]"
2 121 PRO 1.526 0.353 5 0 "[ . 1]"
2 122 GLN 0.000 0.000 . 0 "[ . 1]"
2 123 VAL 0.143 0.143 2 0 "[ . 1]"
2 124 PHE 0.000 0.000 . 0 "[ . 1]"
2 125 VAL 0.000 0.000 . 0 "[ . 1]"
2 126 ALA 0.000 0.000 . 0 "[ . 1]"
2 142 MET 0.000 0.000 . 0 "[ . 1]"
2 143 PRO 0.000 0.000 . 0 "[ . 1]"
2 145 TRP 0.893 0.098 1 0 "[ . 1]"
2 146 LEU 0.893 0.098 1 0 "[ . 1]"
2 147 LEU 2.279 0.310 2 0 "[ . 1]"
2 148 GLY 0.000 0.000 . 0 "[ . 1]"
2 149 ILE 1.029 0.287 10 0 "[ . 1]"
2 150 PHE 0.000 0.000 . 0 "[ . 1]"
2 151 ILE 0.416 0.310 2 0 "[ . 1]"
2 152 ALA 0.893 0.098 1 0 "[ . 1]"
2 153 TYR 2.202 0.234 8 0 "[ . 1]"
2 154 LEU 0.893 0.098 1 0 "[ . 1]"
2 155 ILE 1.367 0.234 8 0 "[ . 1]"
2 156 VAL 0.000 0.000 . 0 "[ . 1]"
2 157 ALA 0.979 0.098 1 0 "[ . 1]"
2 158 VAL 0.000 0.000 . 0 "[ . 1]"
2 159 LEU 0.983 0.098 1 0 "[ . 1]"
2 160 VAL 0.086 0.086 8 0 "[ . 1]"
2 161 VAL 0.000 0.000 . 0 "[ . 1]"
2 162 ILE 0.090 0.090 4 0 "[ . 1]"
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 28 THR CG2 2 29 ALA CB 4.900 . 8.000 4.753 4.337 5.402 . 0 0 "[ . 1]" 2
2 2 21 THR C 2 22 ALA CB 3.400 . 5.000 3.252 3.233 3.269 . 0 0 "[ . 1]" 2
3 2 108 VAL CG1 2 109 ARG CB 4.650 . 7.500 5.808 4.967 6.405 . 0 0 "[ . 1]" 2
4 2 59 LEU CA 2 62 ALA CB 4.650 . 7.500 6.207 5.124 6.964 . 0 0 "[ . 1]" 2
5 2 16 LEU CA 2 18 MET CB 4.650 . 7.500 3.964 3.863 4.051 . 0 0 "[ . 1]" 2
6 2 47 GLU CA 2 48 ARG CB 3.900 . 6.000 4.168 4.114 4.232 . 0 0 "[ . 1]" 2
7 2 15 TRP CB 2 16 LEU CA 3.900 . 6.000 3.766 3.680 3.852 . 0 0 "[ . 1]" 2
8 2 15 TRP CB 2 16 LEU CA 3.400 . 5.000 4.494 4.356 4.738 . 0 0 "[ . 1]" 2
9 2 43 LEU CA 2 44 CYS CB 3.900 . 6.000 4.030 3.871 4.200 . 0 0 "[ . 1]" 2
10 2 22 ALA CB 2 26 GLU CA 4.650 . 7.500 5.650 5.269 5.824 . 0 0 "[ . 1]" 2
11 2 18 MET CA 2 19 ALA CB 4.650 . 7.500 4.416 4.090 4.589 . 0 0 "[ . 1]" 2
12 2 22 ALA CB 2 23 LEU CA 3.400 . 5.000 3.768 3.739 3.807 . 0 0 "[ . 1]" 2
13 2 29 ALA CB 2 30 LEU CA 3.400 . 5.000 3.943 3.876 4.042 . 0 0 "[ . 1]" 2
14 2 22 ALA CB 2 26 GLU CB 4.650 . 7.500 5.416 4.471 5.831 . 0 0 "[ . 1]" 2
15 2 23 LEU CA 2 23 LEU CD1 3.400 . 5.000 2.926 2.741 3.145 . 0 0 "[ . 1]" 2
16 2 147 LEU CA 2 147 LEU CD1 3.400 . 5.000 2.937 2.736 3.173 . 0 0 "[ . 1]" 2
17 2 30 LEU CA 2 30 LEU CD1 3.400 . 5.000 3.047 2.971 3.179 . 0 0 "[ . 1]" 2
18 2 23 LEU CA 2 26 GLU CB 3.400 . 5.000 3.769 3.583 3.867 . 0 0 "[ . 1]" 2
19 2 22 ALA CB 2 26 GLU CB 4.650 . 7.500 5.243 4.431 5.565 . 0 0 "[ . 1]" 2
20 2 63 ILE CD1 2 63 ILE CG2 3.900 . 5.000 3.040 2.744 3.890 . 0 0 "[ . 1]" 2
21 2 45 ILE CG2 2 48 ARG CB 4.650 . 7.500 6.160 4.165 6.730 . 0 0 "[ . 1]" 2
22 2 26 GLU CB 2 29 ALA CB 4.900 . 8.000 5.875 5.553 6.174 . 0 0 "[ . 1]" 2
23 2 153 TYR CB 2 154 LEU CA 4.650 . 7.500 4.564 4.399 4.668 . 0 0 "[ . 1]" 2
24 2 68 PRO CA 2 70 ARG CG 4.900 . 8.000 5.582 4.673 6.675 . 0 0 "[ . 1]" 2
25 2 28 THR CA 2 30 LEU CD1 4.900 . 8.000 6.922 6.034 7.579 . 0 0 "[ . 1]" 2
26 2 60 ILE CG2 2 61 GLY C 4.650 . 7.500 4.854 4.194 5.427 . 0 0 "[ . 1]" 2
27 2 61 GLY C 2 62 ALA CB 4.650 . 7.500 3.538 3.045 3.726 . 0 0 "[ . 1]" 2
28 2 44 CYS C 2 45 ILE CG2 3.900 . 6.000 3.614 3.025 4.065 . 0 0 "[ . 1]" 2
29 2 125 VAL C 2 126 ALA CB 3.400 . 5.000 3.518 3.247 3.719 . 0 0 "[ . 1]" 2
30 2 46 TYR C 2 50 ALA CB 4.900 . 8.000 3.519 3.356 3.647 . 0 0 "[ . 1]" 2
31 2 156 VAL C 2 157 ALA CB 4.900 . 8.000 3.699 3.686 3.714 . 0 0 "[ . 1]" 2
32 2 72 VAL CG1 2 73 ALA CB 4.900 . 8.000 5.812 4.354 7.032 . 0 0 "[ . 1]" 2
33 2 155 ILE C 2 157 ALA CB 4.650 . 7.500 4.561 4.356 4.683 . 0 0 "[ . 1]" 2
34 2 151 ILE C 2 151 ILE CD1 4.650 . 7.500 4.567 3.039 5.100 . 0 0 "[ . 1]" 2
35 2 80 SER C 2 81 ALA CB 3.900 . 6.000 3.691 3.649 3.717 . 0 0 "[ . 1]" 2
36 2 54 VAL C 2 57 ALA CB 3.400 . 5.000 2.763 2.556 3.110 . 0 0 "[ . 1]" 2
37 2 33 GLN C 2 35 VAL CG2 4.650 . 7.500 4.690 3.410 5.604 . 0 0 "[ . 1]" 2
38 2 157 ALA C 2 160 VAL CG1 3.900 . 6.000 4.492 3.533 6.086 0.086 8 0 "[ . 1]" 2
39 2 145 TRP C 2 147 LEU CD1 3.900 . 6.000 3.515 3.242 3.895 . 0 0 "[ . 1]" 2
40 2 20 PHE C 2 21 THR CG2 3.900 . 6.000 2.865 2.687 3.463 . 0 0 "[ . 1]" 2
41 2 104 CYS C 2 108 VAL CG2 4.650 . 7.500 7.520 6.759 8.002 0.502 6 1 "[ .+ 1]" 2
42 2 53 GLY C 2 54 VAL CG2 3.900 . 6.000 4.686 4.177 4.937 . 0 0 "[ . 1]" 2
43 2 54 VAL CG2 2 56 GLY C 4.900 . 8.000 6.760 6.502 6.974 . 0 0 "[ . 1]" 2
44 2 84 GLY C 2 85 VAL CG2 3.400 . 5.000 3.035 2.786 3.245 . 0 0 "[ . 1]" 2
45 2 20 PHE C 2 21 THR CG2 3.400 . 5.000 2.977 2.680 3.336 . 0 0 "[ . 1]" 2
46 2 84 GLY C 2 85 VAL CG1 3.900 . 6.000 2.915 2.709 3.511 . 0 0 "[ . 1]" 2
47 2 84 GLY C 2 85 VAL CG1 3.900 . 6.000 2.882 2.704 3.365 . 0 0 "[ . 1]" 2
48 2 29 ALA C 2 30 LEU CD1 3.900 . 6.000 3.970 3.722 4.419 . 0 0 "[ . 1]" 2
49 2 19 ALA C 2 23 LEU CD1 3.900 . 6.000 4.088 3.554 4.679 . 0 0 "[ . 1]" 2
50 2 19 ALA C 2 23 LEU CD1 3.900 . 6.000 4.441 3.457 4.851 . 0 0 "[ . 1]" 2
51 2 22 ALA C 2 23 LEU CD1 3.900 . 6.000 4.034 3.471 4.485 . 0 0 "[ . 1]" 2
52 2 145 TRP C 2 147 LEU CD1 4.650 . 7.500 4.342 3.522 4.917 . 0 0 "[ . 1]" 2
53 2 68 PRO CB 2 70 ARG C 3.900 . 6.000 6.334 5.920 6.699 0.699 1 2 "[+- . 1]" 2
54 2 68 PRO CB 2 70 ARG C 3.900 . 6.000 5.400 3.883 6.058 0.058 7 0 "[ . 1]" 2
55 2 18 MET CB 2 21 THR C 4.650 . 7.500 5.219 4.845 5.401 . 0 0 "[ . 1]" 2
56 2 45 ILE C 2 48 ARG CB 3.900 . 6.000 3.281 3.217 3.403 . 0 0 "[ . 1]" 2
57 2 45 ILE C 2 48 ARG CB 3.900 . 6.000 3.685 3.541 4.050 . 0 0 "[ . 1]" 2
58 2 60 ILE CG1 2 61 GLY C 4.650 . 7.500 6.659 5.287 7.183 . 0 0 "[ . 1]" 2
59 2 85 VAL C 2 86 GLN CB 3.400 . 5.000 3.707 3.680 3.734 . 0 0 "[ . 1]" 2
60 2 28 THR C 2 31 TRP CB 4.650 . 7.500 4.150 3.585 5.157 . 0 0 "[ . 1]" 2
61 2 45 ILE CG1 2 48 ARG CB 4.900 . 8.000 5.682 4.313 6.770 . 0 0 "[ . 1]" 2
62 2 48 ARG CB 2 49 VAL C 3.900 . 6.000 3.423 2.808 3.816 . 0 0 "[ . 1]" 2
63 2 44 CYS C 2 45 ILE CG1 3.900 . 6.000 4.618 4.098 4.925 . 0 0 "[ . 1]" 2
64 2 70 ARG C 2 70 ARG CG 3.900 . 6.000 3.350 2.834 3.891 . 0 0 "[ . 1]" 2
65 2 44 CYS CB 2 45 ILE C 3.900 . 6.000 4.444 3.809 4.907 . 0 0 "[ . 1]" 2
66 2 62 ALA C 2 63 ILE CG1 4.650 . 7.500 3.132 2.773 3.451 . 0 0 "[ . 1]" 2
67 2 26 GLU CB 2 28 THR C 4.650 . 7.500 4.125 3.749 4.538 . 0 0 "[ . 1]" 2
68 2 26 GLU CB 2 28 THR C 4.650 . 7.500 7.068 6.902 7.178 . 0 0 "[ . 1]" 2
69 2 153 TYR CB 2 156 VAL C 4.650 . 7.500 6.883 6.435 7.421 . 0 0 "[ . 1]" 2
70 2 151 ILE C 2 153 TYR CB 4.650 . 7.500 4.979 4.729 5.278 . 0 0 "[ . 1]" 2
71 2 32 PHE CB 2 33 GLN C 3.900 . 6.000 3.280 3.263 3.295 . 0 0 "[ . 1]" 2
72 2 85 VAL C 2 86 GLN CG 4.900 . 8.000 4.390 3.942 4.621 . 0 0 "[ . 1]" 2
73 2 145 TRP CB 2 147 LEU CD1 4.650 . 7.500 5.912 4.898 6.669 . 0 0 "[ . 1]" 2
74 2 15 TRP C 2 18 MET CG 4.900 . 8.000 4.692 3.511 5.567 . 0 0 "[ . 1]" 2
75 2 21 THR CB 2 22 ALA C 4.900 . 8.000 5.411 5.330 5.514 . 0 0 "[ . 1]" 2
76 2 20 PHE C 2 21 THR CB 4.650 . 7.500 3.363 3.172 3.524 . 0 0 "[ . 1]" 2
77 2 62 ALA C 2 63 ILE CA 4.900 . 8.000 2.426 2.385 2.460 . 0 0 "[ . 1]" 2
78 2 61 GLY C 2 63 ILE CA 4.900 . 8.000 4.741 3.883 5.606 . 0 0 "[ . 1]" 2
79 2 60 ILE CA 2 62 ALA C 4.900 . 8.000 4.306 4.066 4.588 . 0 0 "[ . 1]" 2
80 2 56 GLY C 2 60 ILE CA 4.900 . 7.500 5.037 4.176 6.070 . 0 0 "[ . 1]" 2
81 2 75 VAL CG1 2 76 ILE CG1 4.650 . 7.500 5.311 4.271 6.331 . 0 0 "[ . 1]" 2
82 2 68 PRO CA 2 70 ARG C 3.900 . 6.000 2.440 2.422 2.458 . 0 0 "[ . 1]" 2
83 2 72 VAL C 2 74 MET CA 4.900 . 8.000 3.862 3.738 3.967 . 0 0 "[ . 1]" 2
84 2 74 MET CA 2 76 ILE C 4.650 . 7.500 5.426 5.292 5.591 . 0 0 "[ . 1]" 2
85 2 18 MET CA 2 20 PHE C 4.900 . 8.000 4.107 3.852 4.349 . 0 0 "[ . 1]" 2
86 2 14 ALA C 2 18 MET CA 4.650 . 7.500 2.404 2.390 2.428 . 0 0 "[ . 1]" 2
87 2 18 MET CA 2 20 PHE C 4.650 . 7.500 4.857 4.638 4.977 . 0 0 "[ . 1]" 2
88 2 18 MET CB 2 21 THR CG2 4.650 . 7.500 5.931 4.551 7.260 . 0 0 "[ . 1]" 2
89 2 21 THR C 2 26 GLU CA 4.900 . 8.000 6.191 5.655 6.587 . 0 0 "[ . 1]" 2
90 2 122 GLN CA 2 124 PHE C 4.650 . 7.500 6.068 5.370 7.228 . 0 0 "[ . 1]" 2
91 2 17 LEU CA 2 18 MET C 3.400 . 5.000 2.467 2.441 2.480 . 0 0 "[ . 1]" 2
92 2 68 PRO C 2 69 LEU CA 3.400 . 5.000 1.924 1.912 1.932 . 0 0 "[ . 1]" 2
93 2 15 TRP C 2 16 LEU CA 3.400 . 5.000 1.711 1.702 1.718 0.098 1 0 "[ . 1]" 2
94 2 108 VAL CG2 2 109 ARG CB 4.900 . 8.000 5.202 3.795 6.189 . 0 0 "[ . 1]" 2
95 2 43 LEU CA 2 45 ILE C 3.900 . 6.000 5.279 4.894 5.479 . 0 0 "[ . 1]" 2
96 2 43 LEU CA 2 44 CYS C 3.900 . 6.000 4.311 4.220 4.442 . 0 0 "[ . 1]" 2
97 2 27 LEU CA 2 28 THR C 3.900 . 6.000 3.235 3.166 3.275 . 0 0 "[ . 1]" 2
98 2 59 LEU CA 2 61 GLY C 3.900 . 6.000 5.573 5.134 5.919 . 0 0 "[ . 1]" 2
99 2 33 GLN C 2 34 HIS CA 4.650 . 7.500 2.155 2.144 2.172 . 0 0 "[ . 1]" 2
100 2 18 MET C 2 21 THR C 4.650 . 7.500 3.318 3.064 3.485 . 0 0 "[ . 1]" 2
101 2 60 ILE C 2 61 GLY C 3.900 . 6.000 3.532 3.182 3.731 . 0 0 "[ . 1]" 2
102 2 56 GLY C 2 57 ALA C 3.400 . 5.000 2.690 2.592 2.821 . 0 0 "[ . 1]" 2
103 2 53 GLY C 2 54 VAL C 3.400 . 5.000 2.937 2.826 3.010 . 0 0 "[ . 1]" 2
104 2 20 PHE C 2 22 ALA C 3.400 . 5.000 2.955 2.885 3.002 . 0 0 "[ . 1]" 2
105 2 44 CYS C 2 45 ILE C 3.400 . 5.000 2.305 2.282 2.327 . 0 0 "[ . 1]" 2
106 2 46 TYR C 2 47 GLU C 3.900 . 6.000 2.984 2.874 3.055 . 0 0 "[ . 1]" 2
107 2 61 GLY C 2 62 ALA C 3.900 . 6.000 2.841 2.601 3.206 . 0 0 "[ . 1]" 2
108 2 161 VAL CG2 2 162 ILE CG1 4.900 . 8.000 5.984 3.823 7.529 . 0 0 "[ . 1]" 2
109 2 124 PHE C 2 125 VAL C 3.900 . 6.000 3.319 2.866 3.731 . 0 0 "[ . 1]" 2
110 2 20 PHE C 2 21 THR C 3.400 . 5.000 3.002 2.944 3.067 . 0 0 "[ . 1]" 2
111 2 35 VAL C 2 36 MET C 3.400 . 5.000 2.385 2.303 2.445 . 0 0 "[ . 1]" 2
112 2 21 THR C 2 23 LEU CA 3.900 . 6.000 3.687 3.599 3.778 . 0 0 "[ . 1]" 2
113 2 18 MET CG 2 19 ALA CB 4.650 . 7.500 5.477 4.918 6.020 . 0 0 "[ . 1]" 2
114 2 102 ALA C 2 104 CYS CA 4.650 . 6.000 6.003 5.706 6.233 0.233 10 0 "[ . 1]" 2
115 2 33 GLN C 2 36 MET CA 3.900 . 6.000 2.415 2.388 2.435 . 0 0 "[ . 1]" 2
116 2 29 ALA C 2 30 LEU CD1 3.900 . 6.000 4.750 3.981 5.194 . 0 0 "[ . 1]" 2
117 2 54 VAL CG1 2 57 ALA CB 4.650 . 7.500 6.716 5.447 7.465 . 0 0 "[ . 1]" 2
118 2 19 ALA CB 2 23 LEU CD1 4.900 . 8.000 4.894 3.801 5.612 . 0 0 "[ . 1]" 2
119 2 81 ALA CB 2 82 PHE CB 4.650 . 7.500 4.397 3.905 4.980 . 0 0 "[ . 1]" 2
120 2 81 ALA CB 2 82 PHE CB 4.650 . 7.500 5.377 5.186 5.529 . 0 0 "[ . 1]" 2
121 2 31 TRP CB 2 32 PHE CB 4.650 . 7.500 4.598 3.818 5.050 . 0 0 "[ . 1]" 2
122 2 40 PRO CB 2 44 CYS CB 4.650 . 7.500 5.187 3.825 6.560 . 0 0 "[ . 1]" 2
123 2 54 VAL CG2 2 57 ALA CB 4.900 . 8.000 6.454 5.526 7.670 . 0 0 "[ . 1]" 2
124 2 32 PHE CB 2 33 GLN CB 4.900 . 8.000 5.576 5.185 6.034 . 0 0 "[ . 1]" 2
125 2 21 THR CG2 2 22 ALA CB 4.650 . 7.500 5.220 4.692 5.576 . 0 0 "[ . 1]" 2
126 2 149 ILE CD1 2 149 ILE CG2 3.400 . 5.000 2.735 2.597 2.961 . 0 0 "[ . 1]" 2
127 2 60 ILE CD1 2 60 ILE CG2 3.900 . 6.000 3.143 2.797 3.882 . 0 0 "[ . 1]" 2
128 2 56 GLY CA 2 58 ALA CA 4.650 . 7.500 5.211 5.088 5.418 . 0 0 "[ . 1]" 2
129 2 80 SER CA 2 82 PHE CA 3.900 . 6.000 5.656 5.402 6.016 0.016 8 0 "[ . 1]" 2
130 2 67 THR CA 2 68 PRO CA 4.650 . 7.500 3.946 3.927 3.985 . 0 0 "[ . 1]" 2
131 2 65 PRO CA 2 68 PRO CA 4.650 . 7.500 6.602 5.561 7.575 0.075 8 0 "[ . 1]" 2
132 2 104 CYS CA 2 105 ASP CA 3.900 . 6.000 3.841 3.808 3.878 . 0 0 "[ . 1]" 2
133 2 64 ALA CA 2 66 LYS CA 4.650 . 7.500 6.102 5.440 6.928 . 0 0 "[ . 1]" 2
134 2 100 PRO CD 2 102 ALA CA 4.900 . 7.500 7.464 6.715 7.971 0.471 7 0 "[ . 1]" 2
135 2 39 LYS CA 2 40 PRO CD 3.900 . 6.000 2.657 2.618 2.735 . 0 0 "[ . 1]" 2
136 2 148 GLY CA 2 149 ILE CB 4.900 . 8.000 4.885 4.816 4.933 . 0 0 "[ . 1]" 2
137 2 60 ILE CB 2 61 GLY CA 3.900 . 6.000 4.542 4.299 4.773 . 0 0 "[ . 1]" 2
138 2 56 GLY CA 2 60 ILE CB 4.650 . 7.500 4.389 3.901 4.911 . 0 0 "[ . 1]" 2
139 2 21 THR CA 2 23 LEU CB 4.650 . 7.500 4.273 4.222 4.335 . 0 0 "[ . 1]" 2
140 2 27 LEU CB 2 28 THR CA 3.400 . 5.000 3.565 3.533 3.602 . 0 0 "[ . 1]" 2
141 2 27 LEU CB 2 28 THR CA 4.900 . 8.000 3.885 3.854 3.962 . 0 0 "[ . 1]" 2
142 2 147 LEU CB 2 151 ILE CA 4.900 . 8.000 7.534 7.109 8.310 0.310 2 0 "[ . 1]" 2
143 2 68 PRO CA 2 69 LEU CB 4.650 . 7.500 4.882 4.849 4.957 . 0 0 "[ . 1]" 2
144 2 66 LYS CE 2 67 THR CA 4.900 . 8.000 6.432 5.052 7.288 . 0 0 "[ . 1]" 2
145 2 51 LEU CB 2 52 PHE CA 3.400 . 5.000 4.024 3.920 4.083 . 0 0 "[ . 1]" 2
146 2 20 PHE CA 2 23 LEU CB 3.400 . 5.000 3.980 3.775 4.099 . 0 0 "[ . 1]" 2
147 2 16 LEU CB 2 18 MET CA 4.900 . 8.000 4.391 4.298 4.488 . 0 0 "[ . 1]" 2
148 2 77 TRP CA 2 78 LEU CB 3.400 . 5.000 4.832 4.791 4.877 . 0 0 "[ . 1]" 2
149 2 69 LEU CB 2 70 ARG CA 3.900 . 6.000 4.679 4.573 4.827 . 0 0 "[ . 1]" 2
150 2 30 LEU CB 2 31 TRP CA 4.650 . 7.500 4.585 4.318 4.712 . 0 0 "[ . 1]" 2
151 2 23 LEU CB 2 26 GLU CA 4.650 . 7.500 3.650 3.526 3.810 . 0 0 "[ . 1]" 2
152 2 15 TRP CA 2 16 LEU CB 3.900 . 6.000 4.199 4.044 4.274 . 0 0 "[ . 1]" 2
153 2 23 LEU CB 2 26 GLU CA 4.650 . 7.500 3.602 3.485 3.761 . 0 0 "[ . 1]" 2
154 2 117 ASP CB 2 120 VAL CA 4.900 . 8.000 7.311 5.796 8.151 0.151 7 0 "[ . 1]" 2
155 2 149 ILE CB 2 152 ALA CA 4.900 . 8.000 5.290 4.546 5.829 . 0 0 "[ . 1]" 2
156 2 57 ALA CA 2 60 ILE CB 3.900 . 6.000 3.968 3.754 4.320 . 0 0 "[ . 1]" 2
157 2 151 ILE CB 2 152 ALA CA 3.900 . 6.000 4.569 4.437 4.675 . 0 0 "[ . 1]" 2
158 2 76 ILE CB 2 77 TRP CA 3.400 . 5.000 4.467 4.373 4.528 . 0 0 "[ . 1]" 2
159 2 149 ILE CB 2 150 PHE CA 3.900 . 6.000 4.562 4.433 4.684 . 0 0 "[ . 1]" 2
160 2 153 TYR CA 2 155 ILE CB 3.900 . 6.000 6.067 5.631 6.234 0.234 8 0 "[ . 1]" 2
161 2 22 ALA CA 2 25 LEU CB 4.650 . 7.500 4.186 3.890 4.351 . 0 0 "[ . 1]" 2
162 2 23 LEU CB 2 24 ALA CA 3.400 . 5.000 4.073 4.038 4.118 . 0 0 "[ . 1]" 2
163 2 23 LEU CB 2 24 ALA CA 3.400 . 5.000 3.527 3.448 3.593 . 0 0 "[ . 1]" 2
164 2 45 ILE CA 2 48 ARG CD 4.650 . 7.500 4.533 3.776 5.360 . 0 0 "[ . 1]" 2
165 2 84 GLY CA 2 87 LEU CB 4.650 . 7.500 4.663 3.920 6.189 . 0 0 "[ . 1]" 2
166 2 147 LEU CB 2 148 GLY CA 3.900 . 6.000 4.567 4.424 4.660 . 0 0 "[ . 1]" 2
167 2 83 ARG CD 2 84 GLY CA 4.650 . 7.500 5.877 4.606 6.631 . 0 0 "[ . 1]" 2
168 2 159 LEU CB 2 162 ILE CB 4.900 . 8.000 7.022 5.696 8.090 0.090 4 0 "[ . 1]" 2
169 2 147 LEU CB 2 149 ILE CB 4.650 . 7.500 7.557 7.219 7.787 0.287 10 0 "[ . 1]" 2
170 2 146 LEU CB 2 149 ILE CB 4.650 . 7.500 4.983 4.742 5.100 . 0 0 "[ . 1]" 2
171 2 146 LEU CB 2 149 ILE CB 4.650 . 7.500 5.750 5.053 6.152 . 0 0 "[ . 1]" 2
172 2 154 LEU CB 2 155 ILE CB 3.900 . 6.000 5.371 5.225 5.574 . 0 0 "[ . 1]" 2
173 2 59 LEU CB 2 60 ILE CB 4.650 . 6.000 5.142 4.975 5.308 . 0 0 "[ . 1]" 2
174 2 65 PRO CA 2 68 PRO CB 4.650 . 7.500 4.621 4.158 5.088 . 0 0 "[ . 1]" 2
175 2 85 VAL CB 2 88 THR CA 4.900 . 8.000 6.380 6.021 6.813 . 0 0 "[ . 1]" 2
176 2 74 MET CG 2 77 TRP CA 4.900 . 8.000 7.078 6.208 7.579 . 0 0 "[ . 1]" 2
177 2 71 TYR CA 2 74 MET CG 3.900 . 6.000 4.669 3.438 5.766 . 0 0 "[ . 1]" 2
178 2 45 ILE CB 2 48 ARG CA 4.900 . 8.000 6.087 5.628 6.395 . 0 0 "[ . 1]" 2
179 2 44 CYS CA 2 45 ILE CB 3.900 . 6.000 4.186 4.120 4.245 . 0 0 "[ . 1]" 2
180 2 70 ARG CA 2 74 MET CB 4.650 . 7.500 4.442 3.766 5.173 . 0 0 "[ . 1]" 2
181 2 68 PRO CB 2 70 ARG CA 3.900 . 6.000 5.123 4.843 5.327 . 0 0 "[ . 1]" 2
182 2 120 VAL CB 2 123 VAL CA 4.650 . 7.500 6.741 6.088 7.643 0.143 2 0 "[ . 1]" 2
183 2 67 THR CA 2 68 PRO CB 3.900 . 6.000 4.846 4.776 4.935 . 0 0 "[ . 1]" 2
184 2 48 ARG CA 2 49 VAL CB 3.900 . 6.000 4.871 4.817 4.924 . 0 0 "[ . 1]" 2
185 2 70 ARG CA 2 72 VAL CB 4.900 . 8.000 4.397 4.139 4.734 . 0 0 "[ . 1]" 2
186 2 70 ARG CA 2 72 VAL CB 4.650 . 7.500 4.661 4.421 4.816 . 0 0 "[ . 1]" 2
187 2 18 MET CB 2 20 PHE CA 4.650 . 7.500 4.593 4.534 4.663 . 0 0 "[ . 1]" 2
188 2 32 PHE CA 2 35 VAL CB 4.900 . 8.000 4.695 4.398 4.884 . 0 0 "[ . 1]" 2
189 2 73 ALA CA 2 74 MET CB 3.900 . 6.000 4.887 4.842 4.954 . 0 0 "[ . 1]" 2
190 2 98 PRO CA 2 100 PRO CD 4.900 . 8.000 5.893 4.190 6.765 . 0 0 "[ . 1]" 2
191 2 18 MET CB 2 19 ALA CA 3.400 . 5.000 3.773 3.714 3.839 . 0 0 "[ . 1]" 2
192 2 18 MET CB 2 19 ALA CA 3.400 . 5.000 3.865 3.807 3.915 . 0 0 "[ . 1]" 2
193 2 35 VAL CB 2 36 MET CA 3.400 . 5.000 3.761 3.667 3.870 . 0 0 "[ . 1]" 2
194 2 105 ASP CA 2 108 VAL CB 4.650 . 7.500 6.662 5.277 7.512 0.012 5 0 "[ . 1]" 2
195 2 53 GLY CA 2 54 VAL CB 3.400 . 5.000 4.880 4.831 4.982 . 0 0 "[ . 1]" 2
196 2 109 ARG CB 2 111 PRO CD 4.650 . 7.500 5.699 3.895 7.003 . 0 0 "[ . 1]" 2
197 2 148 GLY CA 2 149 ILE CG1 4.900 . 8.000 4.303 3.610 5.367 . 0 0 "[ . 1]" 2
198 2 115 PRO CB 2 121 PRO CD 4.900 . 8.000 8.111 7.793 8.353 0.353 5 0 "[ . 1]" 2
199 2 33 GLN CB 2 36 MET CA 4.900 . 8.000 5.892 5.059 6.435 . 0 0 "[ . 1]" 2
200 2 33 GLN CB 2 36 MET CA 4.900 . 8.000 4.451 4.058 4.823 . 0 0 "[ . 1]" 2
201 2 44 CYS CB 2 45 ILE CA 4.650 . 7.500 4.438 4.311 4.600 . 0 0 "[ . 1]" 2
202 2 62 ALA CA 2 63 ILE CG1 4.650 . 7.500 4.489 3.898 5.133 . 0 0 "[ . 1]" 2
203 2 22 ALA CA 2 26 GLU CB 3.900 . 6.000 4.841 3.972 5.250 . 0 0 "[ . 1]" 2
204 2 27 LEU CG 2 28 THR CA 3.400 . 5.000 4.959 4.686 5.242 0.242 6 0 "[ . 1]" 2
205 2 154 LEU CG 2 155 ILE CA 3.900 . 6.000 4.938 4.474 5.989 . 0 0 "[ . 1]" 2
206 2 153 TYR CA 2 154 LEU CG 4.650 . 7.500 6.100 5.222 6.283 . 0 0 "[ . 1]" 2
207 2 98 PRO CD 2 99 SER CA 3.900 . 6.000 2.480 2.459 2.505 . 0 0 "[ . 1]" 2
208 2 87 LEU CG 2 88 THR CA 4.650 . 7.500 5.660 4.377 6.138 . 0 0 "[ . 1]" 2
209 2 109 ARG CG 2 111 PRO CD 4.900 . 8.000 6.127 4.425 8.329 0.329 7 0 "[ . 1]" 2
210 2 17 LEU CB 2 18 MET CG 4.900 . 8.000 5.569 5.143 6.789 . 0 0 "[ . 1]" 2
211 2 68 PRO CB 2 69 LEU CB 4.650 . 7.500 4.959 4.819 5.205 . 0 0 "[ . 1]" 2
212 2 110 PHE CA 2 111 PRO CD 3.400 . 5.000 2.662 2.627 2.692 . 0 0 "[ . 1]" 2
213 2 48 ARG CD 2 49 VAL CB 4.900 . 7.500 7.127 5.677 7.671 0.171 10 0 "[ . 1]" 2
214 2 84 GLY CA 2 85 VAL CB 4.900 . 8.000 4.871 4.838 4.930 . 0 0 "[ . 1]" 2
215 2 120 VAL CA 2 121 PRO CD 4.650 . 5.000 3.032 2.984 3.117 . 0 0 "[ . 1]" 2
216 2 146 LEU CB 2 149 ILE CG1 4.650 . 7.500 6.498 4.546 7.499 . 0 0 "[ . 1]" 2
217 2 83 ARG CD 2 86 GLN CB 4.650 . 7.500 7.078 6.316 7.801 0.301 2 0 "[ . 1]" 2
218 2 84 GLY CA 2 86 GLN CB 4.900 . 8.000 6.159 5.661 6.485 . 0 0 "[ . 1]" 2
219 2 147 LEU CG 2 148 GLY CA 3.900 . 6.000 4.521 3.996 5.957 . 0 0 "[ . 1]" 2
220 2 83 ARG CG 2 84 GLY CA 3.900 . 6.000 5.011 4.243 5.900 . 0 0 "[ . 1]" 2
221 2 87 LEU CB 2 88 THR CG2 4.650 . 7.500 5.944 4.750 7.105 . 0 0 "[ . 1]" 2
222 2 53 GLY CA 2 54 VAL CA 3.900 . 6.000 3.745 3.717 3.793 . 0 0 "[ . 1]" 2
223 2 33 GLN CB 2 34 HIS CB 4.650 . 7.500 5.294 4.542 5.978 . 0 0 "[ . 1]" 2
224 2 85 VAL CB 2 86 GLN CB 3.900 . 6.000 5.261 5.036 5.515 . 0 0 "[ . 1]" 2
225 2 44 CYS CB 2 45 ILE CB 3.900 . 6.000 5.218 4.855 5.600 . 0 0 "[ . 1]" 2
226 2 44 CYS CB 2 45 ILE CB 4.650 . 7.500 4.726 4.119 5.211 . 0 0 "[ . 1]" 2
227 2 93 MET CB 2 94 LEU CG 4.650 . 7.500 5.437 5.097 5.652 . 0 0 "[ . 1]" 2
228 2 28 THR CA 2 29 ALA CA 4.900 . 8.000 3.159 3.149 3.169 . 0 0 "[ . 1]" 2
229 2 28 THR CB 2 29 ALA CA 3.400 . 5.000 4.437 4.370 4.514 . 0 0 "[ . 1]" 2
230 2 74 MET CG 2 75 VAL CB 4.650 . 7.500 5.103 4.424 6.130 . 0 0 "[ . 1]" 2
231 2 45 ILE CB 2 48 ARG CB 4.650 . 7.500 5.315 4.729 5.788 . 0 0 "[ . 1]" 2
232 2 57 ALA CA 2 61 GLY CA 4.900 . 7.500 5.749 5.186 6.721 . 0 0 "[ . 1]" 2
233 2 28 THR CA 2 29 ALA CA 3.400 . 5.000 3.271 3.254 3.285 . 0 0 "[ . 1]" 2
234 2 149 ILE CA 2 149 ILE CD1 3.400 . 5.000 3.572 3.000 3.924 . 0 0 "[ . 1]" 2
235 2 45 ILE CB 2 47 GLU C 4.650 . 7.500 6.740 6.310 7.067 . 0 0 "[ . 1]" 2
236 2 72 VAL CA 2 73 ALA CA 3.400 . 5.000 3.394 3.382 3.407 . 0 0 "[ . 1]" 2
237 2 34 HIS CB 2 36 MET C 4.650 . 7.500 6.781 6.091 7.569 0.069 4 0 "[ . 1]" 2
238 2 49 VAL CA 2 50 ALA CA 3.900 . 6.000 3.685 3.634 3.742 . 0 0 "[ . 1]" 2
239 2 104 CYS C 2 108 VAL CB 4.650 . 7.500 6.670 6.175 6.912 . 0 0 "[ . 1]" 2
240 2 155 ILE C 2 155 ILE CG1 3.400 . 5.000 2.998 2.764 3.344 . 0 0 "[ . 1]" 2
241 2 70 ARG C 2 72 VAL CB 3.900 . 6.000 3.862 3.688 4.101 . 0 0 "[ . 1]" 2
242 2 156 VAL CA 2 157 ALA CA 3.400 . 5.000 3.389 3.375 3.401 . 0 0 "[ . 1]" 2
243 2 149 ILE C 2 149 ILE CG1 3.400 . 5.000 2.847 2.628 3.212 . 0 0 "[ . 1]" 2
244 2 60 ILE C 2 60 ILE CG1 3.900 . 6.000 3.646 2.762 3.897 . 0 0 "[ . 1]" 2
245 2 45 ILE C 2 48 ARG CB 3.900 . 6.000 4.138 3.859 4.629 . 0 0 "[ . 1]" 2
246 2 21 THR CA 2 22 ALA CA 3.400 . 5.000 3.807 3.784 3.825 . 0 0 "[ . 1]" 2
247 2 45 ILE C 2 48 ARG CB 3.900 . 6.000 4.203 3.883 4.735 . 0 0 "[ . 1]" 2
248 2 59 LEU C 2 60 ILE CG1 3.900 . 6.000 4.261 3.835 4.596 . 0 0 "[ . 1]" 2
249 2 46 TYR CA 2 49 VAL CA 3.900 . 6.000 4.746 4.506 5.004 . 0 0 "[ . 1]" 2
250 2 60 ILE C 2 63 ILE CG1 4.650 . 7.500 7.144 5.305 8.022 0.522 9 1 "[ . +1]" 2
251 2 70 ARG CA 2 72 VAL CA 3.900 . 6.000 3.407 3.380 3.419 . 0 0 "[ . 1]" 2
252 2 27 LEU CG 2 28 THR C 3.900 . 6.000 4.067 3.721 4.444 . 0 0 "[ . 1]" 2
253 2 26 GLU CB 2 28 THR C 4.900 . 8.000 5.578 5.439 5.836 . 0 0 "[ . 1]" 2
254 2 153 TYR CA 2 155 ILE CA 4.650 . 7.500 4.897 4.647 5.082 . 0 0 "[ . 1]" 2
255 2 69 LEU C 2 70 ARG CG 3.400 . 5.000 2.727 2.538 3.144 . 0 0 "[ . 1]" 2
256 2 27 LEU CG 2 28 THR C 3.900 . 6.000 5.845 5.633 6.196 0.196 6 0 "[ . 1]" 2
257 2 20 PHE CA 2 21 THR CA 4.650 . 7.500 3.718 3.654 3.755 . 0 0 "[ . 1]" 2
258 2 146 LEU C 2 146 LEU CG 3.400 . 5.000 3.190 2.807 3.824 . 0 0 "[ . 1]" 2
259 2 147 LEU C 2 148 GLY CA 3.900 . 6.000 2.431 2.412 2.446 . 0 0 "[ . 1]" 2
260 2 146 LEU C 2 148 GLY CA 4.650 . 7.500 4.337 4.076 4.632 . 0 0 "[ . 1]" 2
261 2 51 LEU C 2 53 GLY CA 3.400 . 5.000 2.154 2.149 2.162 . 0 0 "[ . 1]" 2
262 2 20 PHE CA 2 21 THR CA 4.650 . 6.000 3.795 3.779 3.812 . 0 0 "[ . 1]" 2
263 2 56 GLY CA 2 60 ILE C 4.900 . 8.000 7.231 6.181 8.297 0.297 7 0 "[ . 1]" 2
264 2 55 LEU C 2 56 GLY CA 3.400 . 5.000 2.424 2.411 2.439 . 0 0 "[ . 1]" 2
265 2 84 GLY CA 2 87 LEU C 4.650 . 7.500 5.781 5.214 7.073 . 0 0 "[ . 1]" 2
266 2 59 LEU C 2 61 GLY CA 4.900 . 7.500 4.415 3.975 4.852 . 0 0 "[ . 1]" 2
267 2 59 LEU C 2 61 GLY CA 4.900 . 8.000 4.258 3.864 4.555 . 0 0 "[ . 1]" 2
268 2 68 PRO C 2 70 ARG CD 4.650 . 7.500 4.082 3.044 4.662 . 0 0 "[ . 1]" 2
269 2 52 PHE CA 2 54 VAL CA 3.900 . 6.000 5.572 5.466 5.656 . 0 0 "[ . 1]" 2
270 2 45 ILE C 2 48 ARG CD 4.900 . 8.000 5.174 4.232 5.942 . 0 0 "[ . 1]" 2
271 2 70 ARG C 2 70 ARG CD 4.650 . 7.500 4.245 3.050 5.059 . 0 0 "[ . 1]" 2
272 2 25 LEU CB 2 26 GLU C 4.900 . 6.000 5.354 5.285 5.446 . 0 0 "[ . 1]" 2
273 2 68 PRO C 2 69 LEU CB 4.650 . 7.500 3.178 3.037 3.234 . 0 0 "[ . 1]" 2
274 2 92 THR CB 2 93 MET CA 3.900 . 6.000 4.454 4.379 4.538 . 0 0 "[ . 1]" 2
275 2 25 LEU CB 2 28 THR C 4.900 . 8.000 4.729 4.508 5.017 . 0 0 "[ . 1]" 2
276 2 17 LEU CB 2 18 MET C 3.900 . 6.000 5.429 5.300 5.543 . 0 0 "[ . 1]" 2
277 2 27 LEU CB 2 28 THR C 4.650 . 7.500 4.707 4.540 4.910 . 0 0 "[ . 1]" 2
278 2 52 PHE CA 2 54 VAL CA 3.900 . 6.000 3.752 3.735 3.776 . 0 0 "[ . 1]" 2
279 2 21 THR C 2 23 LEU CB 4.900 . 8.000 3.190 2.956 3.368 . 0 0 "[ . 1]" 2
280 2 75 VAL CA 2 79 TYR CA 4.900 . 8.000 4.367 4.322 4.460 . 0 0 "[ . 1]" 2
281 2 147 LEU C 2 151 ILE CB 4.650 . 7.500 5.063 4.375 5.715 . 0 0 "[ . 1]" 2
282 2 45 ILE CA 2 49 VAL CA 4.900 . 7.500 3.659 3.623 3.691 . 0 0 "[ . 1]" 2
283 2 59 LEU C 2 60 ILE CA 4.650 . 7.500 2.424 2.404 2.446 . 0 0 "[ . 1]" 2
284 2 33 GLN C 2 35 VAL CA 4.650 . 7.500 2.402 2.389 2.421 . 0 0 "[ . 1]" 2
285 2 33 GLN C 2 35 VAL CA 4.650 . 7.500 2.402 2.388 2.420 . 0 0 "[ . 1]" 2
286 2 147 LEU C 2 150 PHE CA 3.900 . 6.000 4.958 4.502 5.458 . 0 0 "[ . 1]" 2
287 2 78 LEU C 2 80 SER CA 3.400 . 5.000 2.409 2.390 2.429 . 0 0 "[ . 1]" 2
288 2 76 ILE C 2 80 SER CA 4.650 . 7.500 3.801 3.673 3.913 . 0 0 "[ . 1]" 2
289 2 45 ILE CA 2 47 GLU C 3.900 . 6.000 5.370 5.035 5.617 . 0 0 "[ . 1]" 2
290 2 122 GLN C 2 123 VAL CA 4.650 . 7.500 2.432 2.412 2.449 . 0 0 "[ . 1]" 2
291 2 83 ARG CA 2 85 VAL CA 3.900 . 6.000 5.422 4.994 5.655 . 0 0 "[ . 1]" 2
292 2 70 ARG C 2 74 MET CA 4.650 . 7.500 6.514 5.009 7.607 0.107 6 0 "[ . 1]" 2
293 2 18 MET CA 2 21 THR C 4.900 . 8.000 5.449 4.953 5.820 . 0 0 "[ . 1]" 2
294 2 155 ILE CA 2 156 VAL CA 3.900 . 6.000 3.772 3.728 3.799 . 0 0 "[ . 1]" 2
295 2 47 GLU C 2 48 ARG CA 3.400 . 5.000 2.412 2.397 2.438 . 0 0 "[ . 1]" 2
296 2 17 LEU C 2 18 MET CA 3.400 . 5.000 2.399 2.383 2.414 . 0 0 "[ . 1]" 2
297 2 44 CYS C 2 48 ARG CA 4.650 . 7.500 4.288 4.068 4.489 . 0 0 "[ . 1]" 2
298 2 23 LEU C 2 26 GLU CA 3.900 . 6.000 4.540 4.231 4.722 . 0 0 "[ . 1]" 2
299 2 15 TRP CA 2 18 MET C 4.650 . 7.500 5.501 5.188 6.090 . 0 0 "[ . 1]" 2
300 2 43 LEU C 2 44 CYS CA 3.400 . 5.000 1.913 1.900 1.925 . 0 0 "[ . 1]" 2
301 2 28 THR C 2 31 TRP CA 4.650 . 7.500 4.181 3.977 4.611 . 0 0 "[ . 1]" 2
302 2 90 GLU C 2 91 HIS CA 3.400 . 5.000 2.437 2.407 2.470 . 0 0 "[ . 1]" 2
303 2 91 HIS CA 2 92 THR C 4.650 . 7.500 4.498 4.341 4.607 . 0 0 "[ . 1]" 2
304 2 68 PRO CA 2 71 TYR CA 4.650 . 7.500 3.910 3.878 3.936 . 0 0 "[ . 1]" 2
305 2 69 LEU C 2 71 TYR CA 3.400 . 5.000 2.171 2.150 2.192 . 0 0 "[ . 1]" 2
306 2 112 GLU C 2 113 TRP CA 3.400 . 5.000 2.170 2.163 2.182 . 0 0 "[ . 1]" 2
307 2 103 THR C 2 104 CYS CA 3.900 . 6.000 2.450 2.433 2.470 . 0 0 "[ . 1]" 2
308 2 26 GLU C 2 29 ALA CA 3.900 . 6.000 4.576 4.392 4.788 . 0 0 "[ . 1]" 2
309 2 18 MET C 2 19 ALA CA 3.400 . 5.000 2.411 2.397 2.418 . 0 0 "[ . 1]" 2
310 2 17 LEU C 2 19 ALA CA 3.400 . 5.000 4.415 3.959 4.661 . 0 0 "[ . 1]" 2
311 2 26 GLU C 2 29 ALA CA 3.400 . 5.000 3.999 3.845 4.124 . 0 0 "[ . 1]" 2
312 2 23 LEU C 2 24 ALA CA 3.400 . 5.000 2.421 2.401 2.439 . 0 0 "[ . 1]" 2
313 2 24 ALA CA 2 26 GLU C 3.900 . 6.000 5.544 5.305 5.706 . 0 0 "[ . 1]" 2
314 2 71 TYR CA 2 74 MET CA 3.900 . 6.000 5.299 4.683 5.917 . 0 0 "[ . 1]" 2
315 2 154 LEU C 2 157 ALA CA 3.900 . 6.000 4.564 4.273 4.874 . 0 0 "[ . 1]" 2
316 2 21 THR C 2 22 ALA CA 3.400 . 5.000 2.395 2.357 2.423 . 0 0 "[ . 1]" 2
317 2 18 MET C 2 22 ALA CA 4.650 . 7.500 4.325 4.037 4.600 . 0 0 "[ . 1]" 2
318 2 102 ALA CA 2 103 THR C 4.900 . 8.000 4.900 4.719 5.011 . 0 0 "[ . 1]" 2
319 2 21 THR C 2 22 ALA CA 4.650 . 7.500 2.406 2.366 2.437 . 0 0 "[ . 1]" 2
320 2 66 LYS CA 2 68 PRO CA 4.650 . 7.500 3.840 3.816 3.875 . 0 0 "[ . 1]" 2
321 2 38 LEU C 2 39 LYS CA 3.900 . 6.000 2.459 2.415 2.537 . 0 0 "[ . 1]" 2
322 2 104 CYS C 2 105 ASP CA 4.650 . 7.500 2.429 2.397 2.453 . 0 0 "[ . 1]" 2
323 2 60 ILE C 2 62 ALA CA 4.650 . 7.500 5.466 4.926 5.900 . 0 0 "[ . 1]" 2
324 2 59 LEU C 2 62 ALA CA 4.650 . 6.000 5.836 4.872 6.695 0.695 5 1 "[ + 1]" 2
325 2 38 LEU C 2 39 LYS CA 3.900 . 6.000 2.462 2.418 2.540 . 0 0 "[ . 1]" 2
326 2 66 LYS CA 2 67 THR CA 4.650 . 7.500 3.737 3.662 3.823 . 0 0 "[ . 1]" 2
327 2 68 PRO C 2 68 PRO CD 3.900 . 6.000 3.075 2.786 3.291 . 0 0 "[ . 1]" 2
328 2 38 LEU C 2 40 PRO CD 3.900 . 6.000 3.637 3.090 4.184 . 0 0 "[ . 1]" 2
329 2 96 LEU C 2 98 PRO CD 3.900 . 5.000 3.743 3.054 4.915 . 0 0 "[ . 1]" 2
330 2 26 GLU C 2 28 THR CB 4.650 . 7.500 5.369 5.091 5.567 . 0 0 "[ . 1]" 2
331 2 75 VAL CA 2 76 ILE C 3.400 . 5.000 2.390 2.372 2.401 . 0 0 "[ . 1]" 2
332 2 66 LYS CA 2 68 PRO CA 4.650 . 7.500 3.737 3.707 3.760 . 0 0 "[ . 1]" 2
333 2 47 GLU C 2 49 VAL CA 4.650 . 7.500 4.496 4.358 4.602 . 0 0 "[ . 1]" 2
334 2 26 GLU C 2 28 THR CA 3.900 . 6.000 4.607 4.465 4.760 . 0 0 "[ . 1]" 2
335 2 147 LEU C 2 149 ILE CA 3.900 . 6.000 4.391 4.209 4.642 . 0 0 "[ . 1]" 2
336 2 110 PHE CA 2 111 PRO CA 4.650 . 7.500 3.234 3.222 3.243 . 0 0 "[ . 1]" 2
337 2 40 PRO CA 2 42 VAL CA 4.900 . 8.000 3.688 3.607 3.742 . 0 0 "[ . 1]" 2
338 2 65 PRO CD 2 68 PRO CD 4.900 . 8.000 5.491 4.357 6.656 . 0 0 "[ . 1]" 2
339 2 19 ALA CA 2 20 PHE CA 3.900 . 6.000 3.731 3.691 3.748 . 0 0 "[ . 1]" 2
340 2 39 LYS CA 2 40 PRO CD 4.900 . 8.000 2.642 2.606 2.695 . 0 0 "[ . 1]" 2
341 2 39 LYS CA 2 40 PRO CD 3.900 . 6.000 2.969 2.881 3.096 . 0 0 "[ . 1]" 2
342 2 154 LEU CB 2 157 ALA CA 4.650 . 7.500 6.555 6.194 7.098 . 0 0 "[ . 1]" 2
343 2 14 ALA CA 2 17 LEU CB 3.900 . 6.000 3.529 3.335 3.671 . 0 0 "[ . 1]" 2
344 2 69 LEU CB 2 71 TYR CA 4.650 . 7.500 4.344 3.792 4.877 . 0 0 "[ . 1]" 2
345 2 80 SER CA 2 81 ALA CA 3.400 . 5.000 3.793 3.771 3.823 . 0 0 "[ . 1]" 2
346 2 26 GLU CA 2 27 LEU CB 3.900 . 6.000 4.301 4.251 4.336 . 0 0 "[ . 1]" 2
347 2 15 TRP CA 2 16 LEU CB 4.650 . 7.500 3.919 3.835 3.963 . 0 0 "[ . 1]" 2
348 2 96 LEU CB 2 97 TYR CA 3.900 . 6.000 4.095 3.908 4.296 . 0 0 "[ . 1]" 2
349 2 117 ASP CB 2 118 LYS CA 3.900 . 6.000 4.523 4.273 4.722 . 0 0 "[ . 1]" 2
350 2 19 ALA CA 2 20 PHE CA 3.400 . 5.000 3.794 3.769 3.818 . 0 0 "[ . 1]" 2
351 2 54 VAL CA 2 57 ALA CA 4.650 . 7.500 4.405 4.251 4.629 . 0 0 "[ . 1]" 2
352 2 17 LEU CB 2 18 MET CA 3.900 . 6.000 4.446 4.339 4.563 . 0 0 "[ . 1]" 2
353 2 48 ARG CA 2 48 ARG CD 3.900 . 6.000 3.802 3.027 3.914 . 0 0 "[ . 1]" 2
354 2 18 MET CA 2 19 ALA CA 3.400 . 5.000 3.386 3.370 3.406 . 0 0 "[ . 1]" 2
355 2 18 MET CA 2 19 ALA CA 3.400 . 5.000 3.151 3.134 3.169 . 0 0 "[ . 1]" 2
356 2 81 ALA CA 2 82 PHE CA 3.900 . 6.000 3.819 3.795 3.872 . 0 0 "[ . 1]" 2
357 2 84 GLY CA 2 85 VAL CA 4.900 . 8.000 3.799 3.772 3.822 . 0 0 "[ . 1]" 2
358 2 63 ILE CA 2 65 PRO CD 4.900 . 8.000 4.570 3.637 6.757 . 0 0 "[ . 1]" 2
359 2 98 PRO CD 2 99 SER CA 4.900 . 8.000 2.632 2.602 2.652 . 0 0 "[ . 1]" 2
360 2 99 SER CA 2 100 PRO CD 4.650 . 7.500 2.672 2.651 2.724 . 0 0 "[ . 1]" 2
361 2 98 PRO CD 2 99 SER CA 4.650 . 7.500 2.944 2.898 2.972 . 0 0 "[ . 1]" 2
362 2 39 LYS CA 2 40 PRO CB 4.650 . 7.500 3.992 3.799 4.085 . 0 0 "[ . 1]" 2
363 2 35 VAL CA 2 36 MET CA 3.900 . 6.000 3.390 3.373 3.418 . 0 0 "[ . 1]" 2
364 2 50 ALA CA 2 53 GLY CA 4.900 . 8.000 4.760 4.605 4.891 . 0 0 "[ . 1]" 2
365 2 65 PRO CA 2 66 LYS CA 4.650 . 7.500 3.824 3.790 3.858 . 0 0 "[ . 1]" 2
366 2 48 ARG CA 2 50 ALA CA 3.400 . 5.000 3.752 3.711 3.773 . 0 0 "[ . 1]" 2
367 2 22 ALA CA 2 26 GLU CA 3.400 . 5.000 5.198 4.626 5.439 0.439 8 0 "[ . 1]" 2
368 2 67 THR CA 2 68 PRO CA 4.650 . 7.500 3.862 3.800 3.905 . 0 0 "[ . 1]" 2
369 2 143 PRO CA 2 145 TRP CA 4.650 . 7.500 5.624 4.968 6.683 . 0 0 "[ . 1]" 2
370 2 44 CYS CA 2 45 ILE CA 3.900 . 6.000 3.362 3.336 3.385 . 0 0 "[ . 1]" 2
371 2 34 HIS CA 2 35 VAL CA 3.900 . 6.000 3.806 3.784 3.848 . 0 0 "[ . 1]" 2
372 2 77 TRP CA 2 79 TYR CA 3.900 . 6.000 5.506 5.345 5.731 . 0 0 "[ . 1]" 2
373 2 31 TRP CA 2 32 PHE CA 3.900 . 6.000 3.007 2.987 3.022 . 0 0 "[ . 1]" 2
374 2 77 TRP CA 2 79 TYR CA 4.650 . 7.500 3.653 3.592 3.723 . 0 0 "[ . 1]" 2
375 2 121 PRO CA 2 123 VAL CA 4.900 . 8.000 5.825 5.033 6.675 . 0 0 "[ . 1]" 2
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