NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655961 |
6vrj   |
30721 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6vrj
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 702
_Distance_constraint_stats_list.Viol_count 370
_Distance_constraint_stats_list.Viol_total 285.134
_Distance_constraint_stats_list.Viol_max 0.518
_Distance_constraint_stats_list.Viol_rms 0.0239
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0771
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.161 0.054 5 0 "[ . 1]"
1 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 5 ASN 0.000 0.000 . 0 "[ . 1]"
1 8 GLN 0.122 0.076 9 0 "[ . 1]"
1 9 ALA 0.144 0.076 9 0 "[ . 1]"
1 10 GLN 0.192 0.145 2 0 "[ . 1]"
1 11 VAL 4.845 0.518 2 1 "[ + . 1]"
1 12 LYS 2.434 0.291 5 0 "[ . 1]"
1 13 GLU 0.000 0.000 . 0 "[ . 1]"
1 14 ILE 1.021 0.126 3 0 "[ . 1]"
1 15 LYS 0.000 0.000 . 0 "[ . 1]"
1 16 PHE 0.495 0.080 6 0 "[ . 1]"
1 17 ARG 0.000 0.000 . 0 "[ . 1]"
1 18 PRO 0.784 0.180 3 0 "[ . 1]"
1 19 GLY 0.000 0.000 . 0 "[ . 1]"
1 20 THR 1.109 0.180 3 0 "[ . 1]"
1 21 GLU 0.024 0.024 10 0 "[ . 1]"
1 22 GLU 0.024 0.024 10 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 24 ASP 0.053 0.024 10 0 "[ . 1]"
1 25 TYR 0.000 0.000 . 0 "[ . 1]"
1 26 GLN 0.145 0.069 9 0 "[ . 1]"
1 27 VAL 0.308 0.090 3 0 "[ . 1]"
1 28 LYS 0.762 0.100 10 0 "[ . 1]"
1 29 LEU 0.752 0.358 6 0 "[ . 1]"
1 30 ARG 0.051 0.051 8 0 "[ . 1]"
1 31 ASN 0.687 0.090 3 0 "[ . 1]"
1 32 LEU 1.190 0.130 7 0 "[ . 1]"
1 33 VAL 1.426 0.130 7 0 "[ . 1]"
1 34 ARG 0.000 0.000 . 0 "[ . 1]"
1 35 PHE 0.527 0.283 6 0 "[ . 1]"
1 36 LEU 0.222 0.124 8 0 "[ . 1]"
1 37 SER 0.393 0.143 7 0 "[ . 1]"
1 38 GLU 0.722 0.155 7 0 "[ . 1]"
1 39 GLY 0.152 0.097 6 0 "[ . 1]"
1 40 ASP 0.141 0.141 7 0 "[ . 1]"
1 41 LYS 0.294 0.141 7 0 "[ . 1]"
1 42 ALA 0.918 0.518 2 1 "[ + . 1]"
1 43 LYS 0.001 0.001 3 0 "[ . 1]"
1 44 VAL 1.381 0.126 3 0 "[ . 1]"
1 45 SER 0.807 0.114 10 0 "[ . 1]"
1 46 LEU 0.581 0.080 6 0 "[ . 1]"
1 47 ARG 0.012 0.007 4 0 "[ . 1]"
1 48 PHE 0.067 0.065 4 0 "[ . 1]"
1 49 ARG 0.000 0.000 . 0 "[ . 1]"
1 51 ARG 0.000 0.000 . 0 "[ . 1]"
1 52 GLU 0.275 0.065 4 0 "[ . 1]"
1 53 MET 0.156 0.050 3 0 "[ . 1]"
1 54 ALA 0.055 0.055 4 0 "[ . 1]"
1 55 HIS 0.000 0.000 . 0 "[ . 1]"
1 56 GLN 0.000 0.000 . 0 "[ . 1]"
1 57 GLU 0.446 0.097 4 0 "[ . 1]"
1 58 LEU 0.176 0.141 6 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 MET 1.443 0.174 1 0 "[ . 1]"
1 61 GLU 2.015 0.174 1 0 "[ . 1]"
1 62 LEU 0.000 0.000 . 0 "[ . 1]"
1 63 LEU 0.786 0.163 6 0 "[ . 1]"
1 64 LYS 0.000 0.000 . 0 "[ . 1]"
1 65 ARG 0.979 0.175 5 0 "[ . 1]"
1 66 VAL 2.785 0.228 10 0 "[ . 1]"
1 67 GLU 0.000 0.000 . 0 "[ . 1]"
1 68 ALA 2.789 0.177 3 0 "[ . 1]"
1 69 ASP 0.031 0.031 10 0 "[ . 1]"
1 70 LEU 2.290 0.177 3 0 "[ . 1]"
1 71 VAL 1.432 0.222 4 0 "[ . 1]"
1 72 GLU 0.000 0.000 . 0 "[ . 1]"
1 73 TYR 0.000 0.000 2 0 "[ . 1]"
1 74 GLY 0.000 0.000 . 0 "[ . 1]"
1 75 THR 0.155 0.066 5 0 "[ . 1]"
1 76 VAL 0.209 0.066 5 0 "[ . 1]"
1 77 GLU 0.003 0.002 3 0 "[ . 1]"
1 78 GLN 0.000 0.000 . 0 "[ . 1]"
1 79 HIS 0.207 0.148 7 0 "[ . 1]"
1 80 PRO 0.000 0.000 . 0 "[ . 1]"
1 81 LYS 0.000 0.000 . 0 "[ . 1]"
1 82 LEU 0.050 0.035 8 0 "[ . 1]"
1 83 GLU 0.000 0.000 . 0 "[ . 1]"
1 84 GLY 0.000 0.000 . 0 "[ . 1]"
1 85 ARG 0.000 0.000 . 0 "[ . 1]"
1 86 GLN 0.004 0.004 9 0 "[ . 1]"
1 87 LEU 0.525 0.096 1 0 "[ . 1]"
1 88 MET 0.113 0.057 8 0 "[ . 1]"
1 89 MET 1.061 0.221 10 0 "[ . 1]"
1 90 VAL 3.191 0.226 6 0 "[ . 1]"
1 91 ILE 0.531 0.060 7 0 "[ . 1]"
1 92 ALA 0.153 0.096 10 0 "[ . 1]"
1 93 PRO 0.000 0.000 . 0 "[ . 1]"
1 94 LYS 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 1 8 GLN HA 1 9 ALA H 0.000 . 2.800 2.545 2.174 2.876 0.076 9 0 "[ . 1]" 1
2 1 9 ALA HA 1 10 GLN H 0.000 . 2.800 2.448 2.158 2.823 0.023 9 0 "[ . 1]" 1
3 1 9 ALA MB 1 10 GLN H 0.000 . 5.000 2.815 1.960 3.716 . 0 0 "[ . 1]" 1
4 1 10 GLN H 1 10 GLN QG 0.000 . 4.000 2.408 1.593 3.636 . 0 0 "[ . 1]" 1
5 1 10 GLN HA 1 11 VAL H 0.000 . 2.500 2.315 2.134 2.645 0.145 2 0 "[ . 1]" 1
6 1 10 GLN QB 1 11 VAL H 0.000 . 4.500 2.956 1.902 3.844 . 0 0 "[ . 1]" 1
7 1 11 VAL H 1 11 VAL HB 0.000 . 2.500 2.620 2.511 2.710 0.210 7 0 "[ . 1]" 1
8 1 12 LYS H 1 42 ALA HA 0.000 . 5.000 2.968 2.420 3.657 . 0 0 "[ . 1]" 1
9 1 11 VAL HA 1 12 LYS H 0.000 . 2.500 2.165 2.153 2.180 . 0 0 "[ . 1]" 1
10 1 11 VAL HB 1 12 LYS H 0.000 . 3.600 3.843 3.782 3.891 0.291 5 0 "[ . 1]" 1
11 1 12 LYS H 1 41 LYS QB 0.000 . 5.500 3.813 3.447 4.350 . 0 0 "[ . 1]" 1
12 1 12 LYS H 1 41 LYS H 0.000 . 5.000 4.249 3.495 4.719 . 0 0 "[ . 1]" 1
13 1 12 LYS H 1 43 LYS H 0.000 . 5.000 4.320 3.681 4.772 . 0 0 "[ . 1]" 1
14 1 11 VAL MG1 1 12 LYS H 0.000 . 4.500 3.175 2.103 3.908 . 0 0 "[ . 1]" 1
15 1 12 LYS HA 1 13 GLU H 0.000 . 3.000 2.315 2.213 2.350 . 0 0 "[ . 1]" 1
16 1 12 LYS QB 1 13 GLU H 0.000 . 4.500 2.817 2.562 3.378 . 0 0 "[ . 1]" 1
17 1 13 GLU H 1 14 ILE QG 0.000 . 5.000 4.179 4.072 4.322 . 0 0 "[ . 1]" 1
18 1 13 GLU H 1 14 ILE MD 0.000 . 5.500 3.923 3.292 4.434 . 0 0 "[ . 1]" 1
19 1 14 ILE H 1 14 ILE HA 0.000 . 3.000 2.994 2.987 3.001 0.001 10 0 "[ . 1]" 1
20 1 14 ILE H 1 14 ILE HB 0.000 . 3.000 2.600 2.526 2.675 . 0 0 "[ . 1]" 1
21 1 14 ILE H 1 14 ILE QG 0.000 . 5.000 2.661 2.307 3.095 . 0 0 "[ . 1]" 1
22 1 14 ILE H 1 45 SER H 0.000 . 4.000 3.952 3.605 4.060 0.060 7 0 "[ . 1]" 1
23 1 14 ILE H 1 44 VAL HA 0.000 . 3.000 3.010 2.861 3.126 0.126 3 0 "[ . 1]" 1
24 1 14 ILE HA 1 15 LYS H 0.000 . 3.000 2.139 2.112 2.187 . 0 0 "[ . 1]" 1
25 1 14 ILE MG 1 15 LYS H 0.000 . 4.500 2.653 2.348 3.083 . 0 0 "[ . 1]" 1
26 1 14 ILE MD 1 15 LYS H 0.000 . 6.000 3.610 3.220 3.892 . 0 0 "[ . 1]" 1
27 1 15 LYS H 1 15 LYS QG 0.000 . 5.000 2.917 1.933 3.992 . 0 0 "[ . 1]" 1
28 1 16 PHE H 1 17 ARG H 0.000 . 5.000 4.369 4.158 4.483 . 0 0 "[ . 1]" 1
29 1 15 LYS HA 1 16 PHE H 0.000 . 2.800 2.258 2.181 2.319 . 0 0 "[ . 1]" 1
30 1 16 PHE H 1 46 LEU HA 0.000 . 3.000 2.950 2.782 3.080 0.080 6 0 "[ . 1]" 1
31 1 16 PHE H 1 16 PHE QD 0.000 . 5.000 4.119 3.424 4.465 . 0 0 "[ . 1]" 1
32 1 14 ILE MG 1 16 PHE H 0.000 . 6.500 4.822 4.581 5.189 . 0 0 "[ . 1]" 1
33 1 15 LYS QB 1 16 PHE H 0.000 . 4.000 3.023 2.762 3.470 . 0 0 "[ . 1]" 1
34 1 16 PHE H 1 46 LEU HG 0.000 . 4.000 3.981 3.787 4.064 0.064 3 0 "[ . 1]" 1
35 1 16 PHE HA 1 17 ARG H 0.000 . 2.800 2.224 2.122 2.363 . 0 0 "[ . 1]" 1
36 1 16 PHE QB 1 17 ARG H 0.000 . 5.500 3.234 2.762 3.690 . 0 0 "[ . 1]" 1
37 1 18 PRO HA 1 19 GLY H 0.000 . 4.500 2.656 2.152 3.416 . 0 0 "[ . 1]" 1
38 1 20 THR H 1 20 THR HB 0.000 . 2.800 2.414 2.206 2.589 . 0 0 "[ . 1]" 1
39 1 18 PRO HA 1 20 THR H 0.000 . 3.500 3.558 3.312 3.680 0.180 3 0 "[ . 1]" 1
40 1 19 GLY QA 1 20 THR H 0.000 . 4.000 2.819 2.718 2.865 . 0 0 "[ . 1]" 1
41 1 20 THR HA 1 21 GLU H 0.000 . 2.800 2.356 2.142 2.767 . 0 0 "[ . 1]" 1
42 1 20 THR MG 1 21 GLU H 0.000 . 5.000 2.465 1.988 3.035 . 0 0 "[ . 1]" 1
43 1 21 GLU H 1 24 ASP QB 0.000 . 6.000 2.427 1.775 3.515 . 0 0 "[ . 1]" 1
44 1 21 GLU HA 1 22 GLU H 0.000 . 2.800 2.501 2.220 2.824 0.024 10 0 "[ . 1]" 1
45 1 21 GLU QG 1 22 GLU H 0.000 . 5.000 3.058 2.229 4.058 . 0 0 "[ . 1]" 1
46 1 22 GLU H 1 22 GLU QG 0.000 . 5.000 3.053 1.752 4.056 . 0 0 "[ . 1]" 1
47 1 23 GLY H 1 24 ASP H 0.000 . 3.500 2.793 2.553 2.923 . 0 0 "[ . 1]" 1
48 1 22 GLU H 1 23 GLY H 0.000 . 4.000 2.777 2.566 2.971 . 0 0 "[ . 1]" 1
49 1 22 GLU HA 1 23 GLY H 0.000 . 5.000 3.557 3.523 3.570 . 0 0 "[ . 1]" 1
50 1 22 GLU QB 1 23 GLY H 0.000 . 5.000 2.418 2.098 3.370 . 0 0 "[ . 1]" 1
51 1 22 GLU QG 1 23 GLY H 0.000 . 5.500 3.382 1.708 4.176 . 0 0 "[ . 1]" 1
52 1 23 GLY QA 1 24 ASP H 0.000 . 4.500 2.634 2.554 2.760 . 0 0 "[ . 1]" 1
53 1 21 GLU QB 1 24 ASP H 0.000 . 5.500 2.717 2.226 4.105 . 0 0 "[ . 1]" 1
54 1 22 GLU QB 1 24 ASP H 0.000 . 5.500 4.762 4.356 5.059 . 0 0 "[ . 1]" 1
55 1 24 ASP H 1 25 TYR H 0.000 . 4.500 2.651 2.407 2.920 . 0 0 "[ . 1]" 1
56 1 25 TYR H 1 25 TYR QD 0.000 . 5.500 4.173 4.108 4.203 . 0 0 "[ . 1]" 1
57 1 22 GLU HA 1 25 TYR H 0.000 . 4.500 3.554 3.421 3.816 . 0 0 "[ . 1]" 1
58 1 25 TYR H 1 26 GLN QB 0.000 . 6.000 4.259 4.160 4.447 . 0 0 "[ . 1]" 1
59 1 23 GLY QA 1 25 TYR H 0.000 . 5.000 3.882 3.714 4.445 . 0 0 "[ . 1]" 1
60 1 24 ASP QB 1 25 TYR H 0.000 . 4.000 2.706 2.117 2.836 . 0 0 "[ . 1]" 1
61 1 20 THR MG 1 25 TYR H 0.000 . 6.000 2.643 2.277 2.819 . 0 0 "[ . 1]" 1
62 1 26 GLN H 1 27 VAL H 0.000 . 4.000 2.715 2.665 2.772 . 0 0 "[ . 1]" 1
63 1 25 TYR H 1 26 GLN H 0.000 . 4.500 2.501 2.405 2.757 . 0 0 "[ . 1]" 1
64 1 23 GLY QA 1 26 GLN H 0.000 . 5.000 3.372 3.188 3.472 . 0 0 "[ . 1]" 1
65 1 22 GLU HA 1 26 GLN H 0.000 . 4.600 4.371 4.041 4.587 . 0 0 "[ . 1]" 1
66 1 25 TYR QD 1 26 GLN H 0.000 . 6.500 3.846 3.307 4.184 . 0 0 "[ . 1]" 1
67 1 25 TYR QB 1 26 GLN H 0.000 . 5.000 2.793 2.557 2.891 . 0 0 "[ . 1]" 1
68 1 26 GLN H 1 26 GLN QG 0.000 . 4.500 3.655 2.579 4.067 . 0 0 "[ . 1]" 1
69 1 20 THR MG 1 26 GLN H 0.000 . 5.500 4.517 4.409 4.644 . 0 0 "[ . 1]" 1
70 1 27 VAL H 1 28 LYS H 0.000 . 4.500 2.795 2.702 2.862 . 0 0 "[ . 1]" 1
71 1 24 ASP HA 1 27 VAL H 0.000 . 5.000 3.703 3.449 3.849 . 0 0 "[ . 1]" 1
72 1 26 GLN HA 1 27 VAL H 0.000 . 5.000 3.582 3.570 3.592 . 0 0 "[ . 1]" 1
73 1 24 ASP QB 1 27 VAL H 0.000 . 6.000 5.283 4.991 5.362 . 0 0 "[ . 1]" 1
74 1 26 GLN QB 1 27 VAL H 0.000 . 3.800 2.229 2.101 2.390 . 0 0 "[ . 1]" 1
75 1 27 VAL H 1 27 VAL HB 0.000 . 3.800 3.602 3.551 3.623 . 0 0 "[ . 1]" 1
76 1 28 LYS H 1 29 LEU H 0.000 . 4.500 2.823 2.645 2.984 . 0 0 "[ . 1]" 1
77 1 24 ASP QB 1 28 LYS H 0.000 . 5.500 4.767 4.508 4.851 . 0 0 "[ . 1]" 1
78 1 26 GLN HA 1 28 LYS H 0.000 . 4.500 4.472 4.275 4.569 0.069 9 0 "[ . 1]" 1
79 1 26 GLN QB 1 28 LYS H 0.000 . 5.500 4.496 4.416 4.598 . 0 0 "[ . 1]" 1
80 1 27 VAL HB 1 28 LYS H 0.000 . 4.000 3.714 3.614 3.942 . 0 0 "[ . 1]" 1
81 1 27 VAL QG 1 28 LYS H 0.000 . 7.500 1.808 1.681 1.956 . 0 0 "[ . 1]" 1
82 1 29 LEU H 1 29 LEU HG 0.000 . 4.000 3.478 2.557 4.358 0.358 6 0 "[ . 1]" 1
83 1 28 LYS QB 1 29 LEU H 0.000 . 5.000 2.302 1.993 2.503 . 0 0 "[ . 1]" 1
84 1 26 GLN HA 1 29 LEU H 0.000 . 4.000 3.696 3.377 3.910 . 0 0 "[ . 1]" 1
85 1 29 LEU H 1 30 ARG H 0.000 . 4.500 2.721 2.561 2.833 . 0 0 "[ . 1]" 1
86 1 30 ARG H 1 31 ASN H 0.000 . 4.500 2.716 2.632 2.833 . 0 0 "[ . 1]" 1
87 1 29 LEU QB 1 30 ARG H 0.000 . 4.500 2.688 2.441 2.948 . 0 0 "[ . 1]" 1
88 1 27 VAL HA 1 30 ARG H 0.000 . 4.500 3.428 3.343 3.524 . 0 0 "[ . 1]" 1
89 1 29 LEU MD2 1 30 ARG H 0.000 . 6.000 4.425 4.229 4.960 . 0 0 "[ . 1]" 1
90 1 30 ARG H 1 30 ARG QG 0.000 . 4.500 3.593 2.329 4.051 . 0 0 "[ . 1]" 1
91 1 31 ASN H 1 32 LEU H 0.000 . 3.000 2.927 2.817 3.040 0.040 4 0 "[ . 1]" 1
92 1 28 LYS HA 1 31 ASN H 0.000 . 3.500 3.404 3.234 3.531 0.031 5 0 "[ . 1]" 1
93 1 27 VAL HB 1 31 ASN H 0.000 . 5.000 5.020 4.942 5.090 0.090 3 0 "[ . 1]" 1
94 1 27 VAL MG1 1 31 ASN H 0.000 . 6.000 5.779 5.662 5.890 . 0 0 "[ . 1]" 1
95 1 30 ARG QB 1 31 ASN H 0.000 . 5.000 2.402 2.133 2.622 . 0 0 "[ . 1]" 1
96 1 31 ASN H 1 31 ASN HA 0.000 . 3.000 2.845 2.803 2.892 . 0 0 "[ . 1]" 1
97 1 32 LEU H 1 32 LEU HG 0.000 . 3.500 2.409 2.176 2.676 . 0 0 "[ . 1]" 1
98 1 32 LEU H 1 32 LEU HA 0.000 . 3.000 2.774 2.751 2.797 . 0 0 "[ . 1]" 1
99 1 29 LEU HA 1 32 LEU H 0.000 . 4.500 3.858 3.703 3.984 . 0 0 "[ . 1]" 1
100 1 28 LYS HA 1 32 LEU H 0.000 . 4.000 4.041 3.970 4.100 0.100 10 0 "[ . 1]" 1
101 1 31 ASN QB 1 32 LEU H 0.000 . 4.500 2.097 2.002 2.284 . 0 0 "[ . 1]" 1
102 1 32 LEU H 1 33 VAL HB 0.000 . 5.000 5.054 4.935 5.130 0.130 7 0 "[ . 1]" 1
103 1 14 ILE QG 1 32 LEU H 0.000 . 4.000 3.317 3.235 3.445 . 0 0 "[ . 1]" 1
104 1 14 ILE MD 1 32 LEU H 0.000 . 6.500 4.233 3.742 4.672 . 0 0 "[ . 1]" 1
105 1 14 ILE MG 1 32 LEU H 0.000 . 6.500 3.966 3.244 4.297 . 0 0 "[ . 1]" 1
106 1 33 VAL H 1 33 VAL HB 0.000 . 3.000 2.454 2.348 2.576 . 0 0 "[ . 1]" 1
107 1 32 LEU H 1 33 VAL H 0.000 . 5.000 2.940 2.889 3.037 . 0 0 "[ . 1]" 1
108 1 31 ASN H 1 33 VAL H 0.000 . 4.500 4.195 4.090 4.301 . 0 0 "[ . 1]" 1
109 1 30 ARG HA 1 33 VAL H 0.000 . 4.000 3.778 3.577 4.051 0.051 8 0 "[ . 1]" 1
110 1 31 ASN HA 1 33 VAL H 0.000 . 4.500 4.510 4.384 4.574 0.074 8 0 "[ . 1]" 1
111 1 29 LEU QB 1 33 VAL H 0.000 . 5.500 4.845 4.661 5.097 . 0 0 "[ . 1]" 1
112 1 32 LEU QB 1 33 VAL H 0.000 . 6.000 2.395 2.266 2.515 . 0 0 "[ . 1]" 1
113 1 32 LEU MD1 1 33 VAL H 0.000 . 6.500 4.286 4.167 4.413 . 0 0 "[ . 1]" 1
114 1 34 ARG H 1 34 ARG HA 0.000 . 3.000 2.812 2.765 2.905 . 0 0 "[ . 1]" 1
115 1 31 ASN HA 1 34 ARG H 0.000 . 4.500 3.657 3.365 3.805 . 0 0 "[ . 1]" 1
116 1 33 VAL HB 1 34 ARG H 0.000 . 4.000 2.239 2.052 2.572 . 0 0 "[ . 1]" 1
117 1 33 VAL MG1 1 34 ARG H 0.000 . 5.500 3.014 2.655 3.501 . 0 0 "[ . 1]" 1
118 1 34 ARG H 1 35 PHE H 0.000 . 3.500 2.769 2.474 2.919 . 0 0 "[ . 1]" 1
119 1 33 VAL H 1 34 ARG H 0.000 . 3.500 2.839 2.664 2.927 . 0 0 "[ . 1]" 1
120 1 35 PHE H 1 35 PHE HA 0.000 . 3.000 2.844 2.795 2.893 . 0 0 "[ . 1]" 1
121 1 33 VAL H 1 35 PHE H 0.000 . 5.000 4.003 3.824 4.127 . 0 0 "[ . 1]" 1
122 1 32 LEU HA 1 35 PHE H 0.000 . 4.500 3.770 3.469 3.935 . 0 0 "[ . 1]" 1
123 1 31 ASN HA 1 35 PHE H 0.000 . 4.500 3.817 3.502 4.377 . 0 0 "[ . 1]" 1
124 1 34 ARG QB 1 35 PHE H 0.000 . 4.500 2.621 2.486 2.777 . 0 0 "[ . 1]" 1
125 1 32 LEU QD 1 35 PHE H 0.000 . 8.000 5.126 4.909 5.277 . 0 0 "[ . 1]" 1
126 1 35 PHE H 1 36 LEU HG 0.000 . 4.500 4.313 4.060 4.485 . 0 0 "[ . 1]" 1
127 1 36 LEU H 1 36 LEU HA 0.000 . 3.000 2.875 2.822 2.914 . 0 0 "[ . 1]" 1
128 1 36 LEU H 1 36 LEU HG 0.000 . 3.000 2.042 1.714 2.549 . 0 0 "[ . 1]" 1
129 1 35 PHE H 1 36 LEU H 0.000 . 4.000 2.738 2.530 2.889 . 0 0 "[ . 1]" 1
130 1 36 LEU H 1 37 SER H 0.000 . 4.000 2.621 2.501 2.703 . 0 0 "[ . 1]" 1
131 1 35 PHE QB 1 36 LEU H 0.000 . 4.000 2.543 2.288 2.838 . 0 0 "[ . 1]" 1
132 1 37 SER H 1 37 SER HA 0.000 . 2.800 2.827 2.754 2.943 0.143 7 0 "[ . 1]" 1
133 1 37 SER H 1 38 GLU H 0.000 . 3.500 2.757 2.258 3.065 . 0 0 "[ . 1]" 1
134 1 36 LEU QB 1 37 SER H 0.000 . 4.500 2.549 2.249 2.922 . 0 0 "[ . 1]" 1
135 1 34 ARG HA 1 37 SER H 0.000 . 4.500 3.379 3.191 3.561 . 0 0 "[ . 1]" 1
136 1 36 LEU MD1 1 37 SER H 0.000 . 6.500 4.333 4.095 4.858 . 0 0 "[ . 1]" 1
137 1 38 GLU H 1 38 GLU HA 0.000 . 2.800 2.854 2.787 2.955 0.155 7 0 "[ . 1]" 1
138 1 38 GLU H 1 38 GLU QG 0.000 . 4.500 3.599 2.600 4.044 . 0 0 "[ . 1]" 1
139 1 38 GLU H 1 39 GLY H 0.000 . 4.500 3.051 1.816 4.597 0.097 6 0 "[ . 1]" 1
140 1 38 GLU H 1 40 ASP QB 0.000 . 6.500 5.505 5.113 5.956 . 0 0 "[ . 1]" 1
141 1 38 GLU QB 1 39 GLY H 0.000 . 5.000 2.499 1.940 3.053 . 0 0 "[ . 1]" 1
142 1 40 ASP H 1 40 ASP HA 0.000 . 3.000 2.822 2.342 2.974 . 0 0 "[ . 1]" 1
143 1 39 GLY QA 1 40 ASP H 0.000 . 5.000 2.655 2.120 2.914 . 0 0 "[ . 1]" 1
144 1 41 LYS H 1 41 LYS HA 0.000 . 3.000 2.925 2.879 2.992 . 0 0 "[ . 1]" 1
145 1 40 ASP HA 1 41 LYS H 0.000 . 3.000 2.517 2.215 3.141 0.141 7 0 "[ . 1]" 1
146 1 40 ASP QB 1 41 LYS H 0.000 . 5.500 2.593 1.661 3.606 . 0 0 "[ . 1]" 1
147 1 11 VAL MG1 1 41 LYS H 0.000 . 6.500 4.792 3.785 5.486 . 0 0 "[ . 1]" 1
148 1 11 VAL MG2 1 41 LYS H 0.000 . 6.500 3.871 3.461 4.318 . 0 0 "[ . 1]" 1
149 1 42 ALA H 1 42 ALA HA 0.000 . 3.000 2.976 2.947 3.004 0.004 4 0 "[ . 1]" 1
150 1 42 ALA H 1 92 ALA HA 0.000 . 4.500 3.649 3.161 3.995 . 0 0 "[ . 1]" 1
151 1 41 LYS HA 1 42 ALA H 0.000 . 4.500 2.331 2.173 2.496 . 0 0 "[ . 1]" 1
152 1 41 LYS QB 1 42 ALA H 0.000 . 4.500 2.818 2.399 3.309 . 0 0 "[ . 1]" 1
153 1 42 ALA H 1 90 VAL MG1 0.000 . 6.500 4.068 3.786 4.343 . 0 0 "[ . 1]" 1
154 1 42 ALA H 1 91 ILE HB 0.000 . 4.500 3.940 3.661 4.119 . 0 0 "[ . 1]" 1
155 1 43 LYS H 1 43 LYS HA 0.000 . 3.000 2.985 2.968 3.001 0.001 3 0 "[ . 1]" 1
156 1 43 LYS H 1 43 LYS QD 0.000 . 5.000 4.327 3.801 4.580 . 0 0 "[ . 1]" 1
157 1 42 ALA H 1 43 LYS H 0.000 . 5.000 4.382 4.212 4.467 . 0 0 "[ . 1]" 1
158 1 14 ILE H 1 43 LYS H 0.000 . 5.000 3.759 3.486 4.254 . 0 0 "[ . 1]" 1
159 1 13 GLU HA 1 43 LYS H 0.000 . 4.000 2.491 2.234 2.695 . 0 0 "[ . 1]" 1
160 1 42 ALA HA 1 43 LYS H 0.000 . 3.500 2.211 2.128 2.339 . 0 0 "[ . 1]" 1
161 1 42 ALA MB 1 43 LYS H 0.000 . 5.000 2.868 2.537 3.133 . 0 0 "[ . 1]" 1
162 1 32 LEU QD 1 43 LYS H 0.000 . 8.000 3.756 3.387 4.374 . 0 0 "[ . 1]" 1
163 1 44 VAL H 1 44 VAL HA 0.000 . 3.000 2.988 2.980 2.997 . 0 0 "[ . 1]" 1
164 1 44 VAL H 1 44 VAL HB 0.000 . 3.000 2.389 2.302 2.569 . 0 0 "[ . 1]" 1
165 1 44 VAL H 1 89 MET H 0.000 . 4.500 3.165 2.872 3.851 . 0 0 "[ . 1]" 1
166 1 44 VAL H 1 91 ILE H 0.000 . 5.000 4.355 3.804 4.847 . 0 0 "[ . 1]" 1
167 1 44 VAL H 1 90 VAL HA 0.000 . 4.500 3.293 2.986 3.710 . 0 0 "[ . 1]" 1
168 1 44 VAL H 1 45 SER HA 0.000 . 5.000 5.064 4.997 5.114 0.114 10 0 "[ . 1]" 1
169 1 43 LYS HA 1 44 VAL H 0.000 . 2.800 2.200 2.149 2.250 . 0 0 "[ . 1]" 1
170 1 44 VAL H 1 89 MET QB 0.000 . 6.000 3.398 2.798 4.060 . 0 0 "[ . 1]" 1
171 1 43 LYS QD 1 44 VAL H 0.000 . 6.000 4.959 4.336 5.400 . 0 0 "[ . 1]" 1
172 1 43 LYS QG 1 44 VAL H 0.000 . 6.000 3.547 2.369 4.421 . 0 0 "[ . 1]" 1
173 1 44 VAL H 1 90 VAL MG2 0.000 . 6.500 4.160 3.713 4.642 . 0 0 "[ . 1]" 1
174 1 45 SER H 1 45 SER HA 0.000 . 3.000 2.991 2.980 3.000 . 0 0 "[ . 1]" 1
175 1 44 VAL HA 1 45 SER H 0.000 . 2.800 2.174 2.119 2.223 . 0 0 "[ . 1]" 1
176 1 15 LYS HA 1 45 SER H 0.000 . 4.000 2.994 2.653 3.327 . 0 0 "[ . 1]" 1
177 1 44 VAL QG 1 45 SER H 0.000 . 8.000 2.446 2.093 2.838 . 0 0 "[ . 1]" 1
178 1 15 LYS QB 1 45 SER H 0.000 . 6.000 4.916 4.198 5.333 . 0 0 "[ . 1]" 1
179 1 46 LEU H 1 46 LEU HA 0.000 . 3.000 2.988 2.976 2.996 . 0 0 "[ . 1]" 1
180 1 46 LEU H 1 46 LEU HG 0.000 . 4.500 4.156 3.461 4.432 . 0 0 "[ . 1]" 1
181 1 46 LEU H 1 87 LEU H 0.000 . 4.000 3.763 3.443 4.067 0.067 3 0 "[ . 1]" 1
182 1 46 LEU H 1 89 MET H 0.000 . 5.000 4.737 4.317 4.966 . 0 0 "[ . 1]" 1
183 1 45 SER HA 1 46 LEU H 0.000 . 2.800 2.137 2.122 2.148 . 0 0 "[ . 1]" 1
184 1 46 LEU H 1 88 MET HA 0.000 . 4.500 3.145 2.816 3.393 . 0 0 "[ . 1]" 1
185 1 45 SER QB 1 46 LEU H 0.000 . 4.500 3.631 3.409 3.904 . 0 0 "[ . 1]" 1
186 1 46 LEU H 1 63 LEU QD 0.000 . 8.000 4.511 3.594 4.819 . 0 0 "[ . 1]" 1
187 1 47 ARG H 1 47 ARG HA 0.000 . 3.000 2.995 2.985 3.007 0.007 4 0 "[ . 1]" 1
188 1 46 LEU HA 1 47 ARG H 0.000 . 2.800 2.168 2.126 2.276 . 0 0 "[ . 1]" 1
189 1 46 LEU QB 1 47 ARG H 0.000 . 4.000 3.336 2.945 3.529 . 0 0 "[ . 1]" 1
190 1 46 LEU MD2 1 47 ARG H 0.000 . 6.500 3.892 2.737 4.614 . 0 0 "[ . 1]" 1
191 1 46 LEU HG 1 47 ARG H 0.000 . 4.500 3.502 3.096 4.455 . 0 0 "[ . 1]" 1
192 1 48 PHE H 1 48 PHE HA 0.000 . 3.000 2.977 2.948 3.002 0.002 4 0 "[ . 1]" 1
193 1 47 ARG HA 1 48 PHE H 0.000 . 2.800 2.152 2.121 2.203 . 0 0 "[ . 1]" 1
194 1 48 PHE H 1 86 GLN HA 0.000 . 5.000 3.613 3.174 3.981 . 0 0 "[ . 1]" 1
195 1 49 ARG H 1 49 ARG QG 0.000 . 5.000 3.481 2.100 4.323 . 0 0 "[ . 1]" 1
196 1 48 PHE HA 1 49 ARG H 0.000 . 3.000 2.215 2.127 2.340 . 0 0 "[ . 1]" 1
197 1 48 PHE QB 1 49 ARG H 0.000 . 5.500 3.035 2.606 3.428 . 0 0 "[ . 1]" 1
198 1 52 GLU H 1 52 GLU HA 0.000 . 3.000 2.926 2.801 2.978 . 0 0 "[ . 1]" 1
199 1 52 GLU H 1 52 GLU QG 0.000 . 4.500 2.366 1.682 3.952 . 0 0 "[ . 1]" 1
200 1 52 GLU H 1 54 ALA H 0.000 . 5.000 4.342 3.174 5.055 0.055 4 0 "[ . 1]" 1
201 1 51 ARG HA 1 52 GLU H 0.000 . 3.500 2.268 2.142 2.588 . 0 0 "[ . 1]" 1
202 1 51 ARG QB 1 52 GLU H 0.000 . 5.500 3.358 2.097 3.916 . 0 0 "[ . 1]" 1
203 1 53 MET H 1 53 MET HA 0.000 . 3.000 2.865 2.778 2.954 . 0 0 "[ . 1]" 1
204 1 53 MET H 1 53 MET QG 0.000 . 4.500 3.034 1.945 4.003 . 0 0 "[ . 1]" 1
205 1 52 GLU H 1 53 MET H 0.000 . 5.000 2.618 2.224 3.708 . 0 0 "[ . 1]" 1
206 1 52 GLU HA 1 53 MET H 0.000 . 3.500 3.435 3.257 3.550 0.050 3 0 "[ . 1]" 1
207 1 54 ALA H 1 54 ALA HA 0.000 . 3.000 2.836 2.773 2.919 . 0 0 "[ . 1]" 1
208 1 53 MET QB 1 54 ALA H 0.000 . 5.000 2.263 2.029 2.924 . 0 0 "[ . 1]" 1
209 1 53 MET HA 1 54 ALA H 0.000 . 4.500 3.556 3.449 3.574 . 0 0 "[ . 1]" 1
210 1 55 HIS H 1 55 HIS HA 0.000 . 3.000 2.833 2.739 2.891 . 0 0 "[ . 1]" 1
211 1 54 ALA HA 1 55 HIS H 0.000 . 4.500 3.555 3.523 3.576 . 0 0 "[ . 1]" 1
212 1 54 ALA MB 1 55 HIS H 0.000 . 6.000 2.243 1.901 2.523 . 0 0 "[ . 1]" 1
213 1 56 GLN H 1 56 GLN HA 0.000 . 3.000 2.848 2.760 2.924 . 0 0 "[ . 1]" 1
214 1 56 GLN H 1 57 GLU H 0.000 . 4.000 2.852 2.653 3.091 . 0 0 "[ . 1]" 1
215 1 57 GLU H 1 57 GLU HA 0.000 . 3.000 2.849 2.806 2.905 . 0 0 "[ . 1]" 1
216 1 57 GLU H 1 58 LEU H 0.000 . 4.500 2.724 2.510 2.848 . 0 0 "[ . 1]" 1
217 1 54 ALA HA 1 57 GLU H 0.000 . 4.500 3.783 3.371 4.165 . 0 0 "[ . 1]" 1
218 1 58 LEU H 1 58 LEU HA 0.000 . 3.000 2.898 2.871 2.934 . 0 0 "[ . 1]" 1
219 1 58 LEU H 1 58 LEU HG 0.000 . 4.500 4.373 3.989 4.511 0.011 2 0 "[ . 1]" 1
220 1 58 LEU H 1 59 GLY H 0.000 . 4.500 2.541 2.386 2.775 . 0 0 "[ . 1]" 1
221 1 57 GLU QG 1 58 LEU H 0.000 . 6.000 3.844 1.664 4.327 . 0 0 "[ . 1]" 1
222 1 57 GLU QB 1 58 LEU H 0.000 . 3.500 2.566 2.424 3.043 . 0 0 "[ . 1]" 1
223 1 48 PHE QE 1 58 LEU H 0.000 . 7.000 5.783 5.382 6.265 . 0 0 "[ . 1]" 1
224 1 59 GLY H 1 60 MET H 0.000 . 4.000 2.621 2.506 2.911 . 0 0 "[ . 1]" 1
225 1 48 PHE QE 1 59 GLY H 0.000 . 6.000 4.379 3.759 4.866 . 0 0 "[ . 1]" 1
226 1 58 LEU HA 1 59 GLY H 0.000 . 4.500 3.516 3.455 3.570 . 0 0 "[ . 1]" 1
227 1 56 GLN HA 1 59 GLY H 0.000 . 4.500 3.611 3.314 4.138 . 0 0 "[ . 1]" 1
228 1 58 LEU QB 1 59 GLY H 0.000 . 5.500 2.601 2.113 2.981 . 0 0 "[ . 1]" 1
229 1 18 PRO QB 1 59 GLY H 0.000 . 5.500 4.501 4.020 4.765 . 0 0 "[ . 1]" 1
230 1 58 LEU MD1 1 59 GLY H 0.000 . 6.500 4.425 3.546 4.803 . 0 0 "[ . 1]" 1
231 1 60 MET H 1 60 MET HA 0.000 . 3.000 2.906 2.884 2.917 . 0 0 "[ . 1]" 1
232 1 60 MET H 1 60 MET ME 0.000 . 6.500 4.637 3.973 5.309 . 0 0 "[ . 1]" 1
233 1 60 MET H 1 62 LEU H 0.000 . 5.000 3.855 3.597 4.216 . 0 0 "[ . 1]" 1
234 1 60 MET H 1 61 GLU HA 0.000 . 5.000 5.144 5.116 5.174 0.174 1 0 "[ . 1]" 1
235 1 59 GLY QA 1 60 MET H 0.000 . 5.000 2.762 2.720 2.813 . 0 0 "[ . 1]" 1
236 1 57 GLU HA 1 60 MET H 0.000 . 4.500 3.694 3.524 4.018 . 0 0 "[ . 1]" 1
237 1 58 LEU QB 1 60 MET H 0.000 . 5.500 4.636 4.348 4.912 . 0 0 "[ . 1]" 1
238 1 61 GLU H 1 61 GLU HA 0.000 . 3.000 2.837 2.825 2.858 . 0 0 "[ . 1]" 1
239 1 60 MET H 1 61 GLU H 0.000 . 3.000 2.484 2.445 2.539 . 0 0 "[ . 1]" 1
240 1 58 LEU HA 1 61 GLU H 0.000 . 4.000 3.465 3.286 3.561 . 0 0 "[ . 1]" 1
241 1 57 GLU HA 1 61 GLU H 0.000 . 4.000 4.039 3.948 4.097 0.097 4 0 "[ . 1]" 1
242 1 60 MET QB 1 61 GLU H 0.000 . 4.500 2.450 2.262 2.682 . 0 0 "[ . 1]" 1
243 1 62 LEU H 1 62 LEU HA 0.000 . 3.000 2.871 2.852 2.896 . 0 0 "[ . 1]" 1
244 1 62 LEU H 1 62 LEU HG 0.000 . 4.500 4.411 4.253 4.499 . 0 0 "[ . 1]" 1
245 1 59 GLY QA 1 62 LEU H 0.000 . 5.500 3.537 3.429 3.735 . 0 0 "[ . 1]" 1
246 1 58 LEU HA 1 62 LEU H 0.000 . 4.500 4.014 3.790 4.288 . 0 0 "[ . 1]" 1
247 1 61 GLU HA 1 62 LEU H 0.000 . 4.000 3.497 3.443 3.548 . 0 0 "[ . 1]" 1
248 1 61 GLU QB 1 62 LEU H 0.000 . 4.500 2.686 2.394 2.965 . 0 0 "[ . 1]" 1
249 1 62 LEU H 1 63 LEU QB 0.000 . 5.500 4.678 4.631 4.719 . 0 0 "[ . 1]" 1
250 1 62 LEU H 1 63 LEU H 0.000 . 3.500 2.853 2.767 2.906 . 0 0 "[ . 1]" 1
251 1 61 GLU H 1 62 LEU H 0.000 . 3.500 2.659 2.567 2.795 . 0 0 "[ . 1]" 1
252 1 63 LEU H 1 63 LEU HA 0.000 . 3.000 2.796 2.770 2.836 . 0 0 "[ . 1]" 1
253 1 63 LEU H 1 63 LEU HG 0.000 . 4.500 2.045 1.920 2.151 . 0 0 "[ . 1]" 1
254 1 63 LEU H 1 64 LYS H 0.000 . 4.500 2.815 2.633 2.917 . 0 0 "[ . 1]" 1
255 1 59 GLY QA 1 63 LEU H 0.000 . 6.000 3.993 3.816 4.123 . 0 0 "[ . 1]" 1
256 1 60 MET HA 1 63 LEU H 0.000 . 4.500 3.748 3.598 3.880 . 0 0 "[ . 1]" 1
257 1 62 LEU HA 1 63 LEU H 0.000 . 4.500 3.569 3.561 3.574 . 0 0 "[ . 1]" 1
258 1 61 GLU QB 1 63 LEU H 0.000 . 6.000 5.189 4.968 5.301 . 0 0 "[ . 1]" 1
259 1 62 LEU QB 1 63 LEU H 0.000 . 3.500 2.021 1.926 2.259 . 0 0 "[ . 1]" 1
260 1 62 LEU HG 1 63 LEU H 0.000 . 5.000 3.780 3.212 4.520 . 0 0 "[ . 1]" 1
261 1 46 LEU MD1 1 63 LEU H 0.000 . 6.500 4.681 3.085 5.173 . 0 0 "[ . 1]" 1
262 1 64 LYS H 1 64 LYS HA 0.000 . 3.000 2.858 2.820 2.898 . 0 0 "[ . 1]" 1
263 1 64 LYS H 1 64 LYS QG 0.000 . 4.500 3.532 2.468 4.025 . 0 0 "[ . 1]" 1
264 1 64 LYS H 1 64 LYS QD 0.000 . 5.000 3.989 2.419 4.436 . 0 0 "[ . 1]" 1
265 1 64 LYS H 1 65 ARG H 0.000 . 3.500 2.744 2.499 2.968 . 0 0 "[ . 1]" 1
266 1 61 GLU HA 1 64 LYS H 0.000 . 5.000 3.674 3.454 3.793 . 0 0 "[ . 1]" 1
267 1 60 MET HA 1 64 LYS H 0.000 . 5.000 4.222 3.705 4.512 . 0 0 "[ . 1]" 1
268 1 63 LEU QB 1 64 LYS H 0.000 . 5.000 2.693 2.487 2.917 . 0 0 "[ . 1]" 1
269 1 65 ARG H 1 65 ARG HA 0.000 . 3.000 2.885 2.854 2.923 . 0 0 "[ . 1]" 1
270 1 65 ARG H 1 65 ARG QG 0.000 . 4.500 3.495 2.025 4.048 . 0 0 "[ . 1]" 1
271 1 65 ARG H 1 66 VAL H 0.000 . 3.000 2.652 2.397 2.883 . 0 0 "[ . 1]" 1
272 1 62 LEU HA 1 65 ARG H 0.000 . 4.500 3.558 3.393 3.923 . 0 0 "[ . 1]" 1
273 1 61 GLU HA 1 65 ARG H 0.000 . 4.500 4.388 4.206 4.573 0.073 5 0 "[ . 1]" 1
274 1 64 LYS QB 1 65 ARG H 0.000 . 5.000 2.395 2.188 2.577 . 0 0 "[ . 1]" 1
275 1 65 ARG H 1 66 VAL MG1 0.000 . 6.500 5.272 4.422 5.655 . 0 0 "[ . 1]" 1
276 1 66 VAL H 1 66 VAL HA 0.000 . 3.000 2.847 2.808 2.873 . 0 0 "[ . 1]" 1
277 1 66 VAL H 1 66 VAL HB 0.000 . 3.500 2.907 2.135 3.584 0.084 8 0 "[ . 1]" 1
278 1 63 LEU HA 1 66 VAL H 0.000 . 3.500 3.576 3.511 3.663 0.163 6 0 "[ . 1]" 1
279 1 65 ARG QB 1 66 VAL H 0.000 . 4.500 2.395 2.164 2.621 . 0 0 "[ . 1]" 1
280 1 67 GLU H 1 67 GLU HA 0.000 . 3.000 2.783 2.758 2.814 . 0 0 "[ . 1]" 1
281 1 67 GLU H 1 67 GLU QG 0.000 . 5.000 3.965 3.911 4.027 . 0 0 "[ . 1]" 1
282 1 66 VAL H 1 67 GLU H 0.000 . 3.300 2.706 2.629 2.841 . 0 0 "[ . 1]" 1
283 1 67 GLU H 1 68 ALA H 0.000 . 3.300 2.854 2.799 2.934 . 0 0 "[ . 1]" 1
284 1 64 LYS HA 1 67 GLU H 0.000 . 4.000 3.867 3.693 3.999 . 0 0 "[ . 1]" 1
285 1 66 VAL HB 1 67 GLU H 0.000 . 3.500 2.786 2.177 3.332 . 0 0 "[ . 1]" 1
286 1 65 ARG QB 1 67 GLU H 0.000 . 6.000 4.664 4.490 4.865 . 0 0 "[ . 1]" 1
287 1 67 GLU H 1 68 ALA MB 0.000 . 6.500 4.469 4.409 4.560 . 0 0 "[ . 1]" 1
288 1 66 VAL MG2 1 67 GLU H 0.000 . 6.500 2.872 1.714 3.976 . 0 0 "[ . 1]" 1
289 1 68 ALA H 1 68 ALA HA 0.000 . 3.000 2.864 2.803 2.929 . 0 0 "[ . 1]" 1
290 1 68 ALA H 1 69 ASP H 0.000 . 4.500 2.769 2.540 3.007 . 0 0 "[ . 1]" 1
291 1 65 ARG HA 1 68 ALA H 0.000 . 3.500 3.585 3.523 3.675 0.175 5 0 "[ . 1]" 1
292 1 67 GLU HA 1 68 ALA H 0.000 . 5.000 3.548 3.521 3.576 . 0 0 "[ . 1]" 1
293 1 67 GLU QB 1 68 ALA H 0.000 . 4.000 2.447 2.228 2.626 . 0 0 "[ . 1]" 1
294 1 66 VAL HB 1 68 ALA H 0.000 . 5.000 5.063 4.919 5.176 0.176 9 0 "[ . 1]" 1
295 1 66 VAL MG1 1 68 ALA H 0.000 . 6.500 5.042 4.490 5.438 . 0 0 "[ . 1]" 1
296 1 69 ASP H 1 69 ASP HA 0.000 . 3.000 2.804 2.784 2.852 . 0 0 "[ . 1]" 1
297 1 68 ALA HA 1 69 ASP H 0.000 . 5.000 3.549 3.543 3.557 . 0 0 "[ . 1]" 1
298 1 66 VAL HA 1 69 ASP H 0.000 . 3.800 3.359 3.078 3.831 0.031 10 0 "[ . 1]" 1
299 1 67 GLU QB 1 69 ASP H 0.000 . 5.500 4.864 4.718 4.944 . 0 0 "[ . 1]" 1
300 1 68 ALA MB 1 69 ASP H 0.000 . 4.500 2.240 2.085 2.526 . 0 0 "[ . 1]" 1
301 1 66 VAL MG1 1 69 ASP H 0.000 . 6.500 4.775 4.437 5.097 . 0 0 "[ . 1]" 1
302 1 70 LEU H 1 70 LEU HA 0.000 . 3.000 2.968 2.959 2.977 . 0 0 "[ . 1]" 1
303 1 70 LEU H 1 70 LEU HG 0.000 . 3.000 3.099 3.048 3.161 0.161 4 0 "[ . 1]" 1
304 1 69 ASP H 1 70 LEU H 0.000 . 3.500 2.714 2.617 2.802 . 0 0 "[ . 1]" 1
305 1 70 LEU H 1 71 VAL H 0.000 . 3.500 2.250 2.102 2.358 . 0 0 "[ . 1]" 1
306 1 68 ALA HA 1 70 LEU H 0.000 . 3.500 3.591 3.450 3.677 0.177 3 0 "[ . 1]" 1
307 1 67 GLU HA 1 70 LEU H 0.000 . 4.500 3.612 3.346 3.788 . 0 0 "[ . 1]" 1
308 1 70 LEU H 1 71 VAL QG 0.000 . 7.500 3.540 3.274 3.971 . 0 0 "[ . 1]" 1
309 1 71 VAL H 1 71 VAL HA 0.000 . 3.000 2.808 2.773 2.838 . 0 0 "[ . 1]" 1
310 1 71 VAL H 1 72 GLU H 0.000 . 4.000 2.706 2.633 2.827 . 0 0 "[ . 1]" 1
311 1 70 LEU HA 1 71 VAL H 0.000 . 3.500 3.532 3.490 3.569 0.069 8 0 "[ . 1]" 1
312 1 68 ALA HA 1 71 VAL H 0.000 . 4.000 2.924 2.675 3.222 . 0 0 "[ . 1]" 1
313 1 70 LEU QB 1 71 VAL H 0.000 . 5.000 2.794 2.644 2.954 . 0 0 "[ . 1]" 1
314 1 72 GLU H 1 72 GLU HA 0.000 . 3.000 2.948 2.932 2.973 . 0 0 "[ . 1]" 1
315 1 72 GLU H 1 72 GLU QG 0.000 . 4.500 2.646 2.036 2.952 . 0 0 "[ . 1]" 1
316 1 72 GLU H 1 73 TYR H 0.000 . 4.500 2.397 2.256 2.600 . 0 0 "[ . 1]" 1
317 1 72 GLU H 1 73 TYR QD 0.000 . 6.500 4.922 3.639 6.058 . 0 0 "[ . 1]" 1
318 1 70 LEU HA 1 72 GLU H 0.000 . 5.000 3.500 3.346 3.868 . 0 0 "[ . 1]" 1
319 1 71 VAL HB 1 72 GLU H 0.000 . 4.500 3.625 2.706 4.148 . 0 0 "[ . 1]" 1
320 1 71 VAL MG2 1 72 GLU H 0.000 . 5.000 2.870 1.951 4.148 . 0 0 "[ . 1]" 1
321 1 73 TYR H 1 73 TYR HA 0.000 . 3.000 2.971 2.887 3.000 0.000 2 0 "[ . 1]" 1
322 1 73 TYR H 1 73 TYR QD 0.000 . 5.500 3.891 3.365 4.424 . 0 0 "[ . 1]" 1
323 1 73 TYR H 1 74 GLY H 0.000 . 2.500 2.028 1.580 2.490 . 0 0 "[ . 1]" 1
324 1 72 GLU HA 1 73 TYR H 0.000 . 5.000 3.314 3.088 3.451 . 0 0 "[ . 1]" 1
325 1 72 GLU QB 1 73 TYR H 0.000 . 6.000 3.194 2.915 3.590 . 0 0 "[ . 1]" 1
326 1 70 LEU MD2 1 73 TYR H 0.000 . 6.500 4.044 3.801 4.331 . 0 0 "[ . 1]" 1
327 1 74 GLY H 1 75 THR HA 0.000 . 5.000 4.630 4.572 4.712 . 0 0 "[ . 1]" 1
328 1 71 VAL HA 1 74 GLY H 0.000 . 4.500 3.392 3.119 3.816 . 0 0 "[ . 1]" 1
329 1 73 TYR QB 1 74 GLY H 0.000 . 6.000 3.587 3.319 3.853 . 0 0 "[ . 1]" 1
330 1 70 LEU QB 1 74 GLY H 0.000 . 5.500 4.295 3.990 4.615 . 0 0 "[ . 1]" 1
331 1 70 LEU MD2 1 74 GLY H 0.000 . 6.000 4.376 3.984 4.787 . 0 0 "[ . 1]" 1
332 1 75 THR H 1 75 THR HA 0.000 . 3.000 2.940 2.900 2.997 . 0 0 "[ . 1]" 1
333 1 75 THR H 1 75 THR HB 0.000 . 4.000 3.686 3.264 3.977 . 0 0 "[ . 1]" 1
334 1 74 GLY QA 1 75 THR H 0.000 . 4.500 2.267 2.226 2.297 . 0 0 "[ . 1]" 1
335 1 75 THR H 1 92 ALA MB 0.000 . 6.500 3.725 3.406 4.148 . 0 0 "[ . 1]" 1
336 1 75 THR H 1 91 ILE MG 0.000 . 4.500 2.650 2.343 3.302 . 0 0 "[ . 1]" 1
337 1 76 VAL H 1 76 VAL HA 0.000 . 3.000 2.939 2.918 2.963 . 0 0 "[ . 1]" 1
338 1 76 VAL H 1 76 VAL HB 0.000 . 3.000 2.630 2.511 2.745 . 0 0 "[ . 1]" 1
339 1 75 THR HA 1 76 VAL H 0.000 . 2.800 2.340 2.234 2.406 . 0 0 "[ . 1]" 1
340 1 75 THR HB 1 76 VAL H 0.000 . 3.500 3.230 2.511 3.566 0.066 5 0 "[ . 1]" 1
341 1 75 THR MG 1 76 VAL H 0.000 . 6.000 3.520 2.308 3.996 . 0 0 "[ . 1]" 1
342 1 71 VAL MG1 1 76 VAL H 0.000 . 6.500 4.838 4.075 5.275 . 0 0 "[ . 1]" 1
343 1 77 GLU H 1 77 GLU HA 0.000 . 3.000 2.989 2.964 3.002 0.002 3 0 "[ . 1]" 1
344 1 77 GLU H 1 78 GLN H 0.000 . 2.500 1.976 1.847 2.173 . 0 0 "[ . 1]" 1
345 1 77 GLU H 1 92 ALA H 0.000 . 5.000 3.461 3.150 3.917 . 0 0 "[ . 1]" 1
346 1 77 GLU H 1 91 ILE HA 0.000 . 3.500 2.807 2.468 3.218 . 0 0 "[ . 1]" 1
347 1 76 VAL HA 1 77 GLU H 0.000 . 2.800 2.168 2.129 2.233 . 0 0 "[ . 1]" 1
348 1 77 GLU H 1 78 GLN QB 0.000 . 4.500 4.083 3.973 4.187 . 0 0 "[ . 1]" 1
349 1 77 GLU H 1 90 VAL HB 0.000 . 4.000 3.670 3.230 3.910 . 0 0 "[ . 1]" 1
350 1 77 GLU H 1 90 VAL MG1 0.000 . 6.000 3.772 3.248 4.129 . 0 0 "[ . 1]" 1
351 1 76 VAL MG1 1 77 GLU H 0.000 . 6.000 3.812 3.555 4.018 . 0 0 "[ . 1]" 1
352 1 78 GLN H 1 78 GLN HA 0.000 . 3.000 2.939 2.886 2.970 . 0 0 "[ . 1]" 1
353 1 77 GLU HA 1 78 GLN H 0.000 . 4.000 3.399 3.344 3.461 . 0 0 "[ . 1]" 1
354 1 76 VAL HA 1 78 GLN H 0.000 . 4.500 3.593 3.420 3.846 . 0 0 "[ . 1]" 1
355 1 78 GLN H 1 90 VAL HB 0.000 . 4.500 2.971 2.368 3.268 . 0 0 "[ . 1]" 1
356 1 78 GLN H 1 90 VAL MG1 0.000 . 6.000 3.989 3.444 4.355 . 0 0 "[ . 1]" 1
357 1 76 VAL MG1 1 78 GLN H 0.000 . 6.000 3.915 3.646 4.110 . 0 0 "[ . 1]" 1
358 1 81 LYS H 1 81 LYS HA 0.000 . 3.000 2.951 2.923 2.997 . 0 0 "[ . 1]" 1
359 1 80 PRO HA 1 81 LYS H 0.000 . 3.000 2.253 2.170 2.321 . 0 0 "[ . 1]" 1
360 1 81 LYS H 1 88 MET H 0.000 . 4.500 3.339 2.808 3.710 . 0 0 "[ . 1]" 1
361 1 81 LYS H 1 89 MET QB 0.000 . 6.000 4.915 4.459 5.233 . 0 0 "[ . 1]" 1
362 1 81 LYS H 1 82 LEU QB 0.000 . 6.000 5.412 5.009 5.529 . 0 0 "[ . 1]" 1
363 1 81 LYS H 1 87 LEU MD1 0.000 . 6.500 3.361 2.488 4.102 . 0 0 "[ . 1]" 1
364 1 82 LEU H 1 82 LEU HA 0.000 . 3.000 2.958 2.936 2.992 . 0 0 "[ . 1]" 1
365 1 82 LEU H 1 82 LEU HG 0.000 . 4.500 4.369 4.272 4.515 0.015 3 0 "[ . 1]" 1
366 1 81 LYS QG 1 82 LEU H 0.000 . 5.500 3.342 1.825 4.229 . 0 0 "[ . 1]" 1
367 1 81 LYS HA 1 82 LEU H 0.000 . 3.500 2.257 2.142 2.318 . 0 0 "[ . 1]" 1
368 1 81 LYS QB 1 82 LEU H 0.000 . 3.500 2.965 2.640 3.323 . 0 0 "[ . 1]" 1
369 1 83 GLU H 1 83 GLU HA 0.000 . 3.000 2.981 2.949 2.998 . 0 0 "[ . 1]" 1
370 1 83 GLU H 1 83 GLU QG 0.000 . 5.000 3.653 2.733 4.145 . 0 0 "[ . 1]" 1
371 1 83 GLU H 1 86 GLN H 0.000 . 5.000 3.519 2.889 4.033 . 0 0 "[ . 1]" 1
372 1 82 LEU HA 1 83 GLU H 0.000 . 2.500 2.165 2.135 2.193 . 0 0 "[ . 1]" 1
373 1 82 LEU QB 1 83 GLU H 0.000 . 4.500 3.819 3.638 3.985 . 0 0 "[ . 1]" 1
374 1 82 LEU MD1 1 83 GLU H 0.000 . 4.500 2.763 1.834 3.424 . 0 0 "[ . 1]" 1
375 1 85 ARG H 1 85 ARG HA 0.000 . 3.000 2.768 2.316 2.997 . 0 0 "[ . 1]" 1
376 1 85 ARG H 1 85 ARG QG 0.000 . 4.500 3.164 2.041 4.097 . 0 0 "[ . 1]" 1
377 1 85 ARG H 1 86 GLN H 0.000 . 4.000 2.404 1.569 2.865 . 0 0 "[ . 1]" 1
378 1 84 GLY QA 1 85 ARG H 0.000 . 5.000 2.392 2.111 2.838 . 0 0 "[ . 1]" 1
379 1 86 GLN H 1 86 GLN HA 0.000 . 3.000 2.984 2.958 3.004 0.004 9 0 "[ . 1]" 1
380 1 84 GLY H 1 86 GLN H 0.000 . 5.000 4.548 4.131 4.914 . 0 0 "[ . 1]" 1
381 1 84 GLY QA 1 86 GLN H 0.000 . 6.000 3.529 3.044 3.944 . 0 0 "[ . 1]" 1
382 1 85 ARG HA 1 86 GLN H 0.000 . 4.000 3.092 2.860 3.325 . 0 0 "[ . 1]" 1
383 1 85 ARG QB 1 86 GLN H 0.000 . 5.500 3.695 3.314 3.988 . 0 0 "[ . 1]" 1
384 1 82 LEU MD1 1 86 GLN H 0.000 . 6.000 3.657 3.101 4.176 . 0 0 "[ . 1]" 1
385 1 87 LEU H 1 87 LEU HA 0.000 . 3.000 2.990 2.978 3.002 0.002 5 0 "[ . 1]" 1
386 1 87 LEU H 1 87 LEU HG 0.000 . 4.500 4.502 4.377 4.596 0.096 1 0 "[ . 1]" 1
387 1 86 GLN HA 1 87 LEU H 0.000 . 3.000 2.242 2.162 2.423 . 0 0 "[ . 1]" 1
388 1 47 ARG HA 1 87 LEU H 0.000 . 5.000 3.770 3.362 4.067 . 0 0 "[ . 1]" 1
389 1 86 GLN QB 1 87 LEU H 0.000 . 5.000 2.892 2.407 3.340 . 0 0 "[ . 1]" 1
390 1 88 MET H 1 88 MET HA 0.000 . 3.000 2.973 2.965 2.995 . 0 0 "[ . 1]" 1
391 1 88 MET H 1 88 MET QG 0.000 . 5.000 3.322 2.089 4.155 . 0 0 "[ . 1]" 1
392 1 87 LEU HA 1 88 MET H 0.000 . 2.500 2.191 2.132 2.258 . 0 0 "[ . 1]" 1
393 1 88 MET H 1 89 MET HA 0.000 . 5.000 4.874 4.808 5.022 0.022 6 0 "[ . 1]" 1
394 1 87 LEU QB 1 88 MET H 0.000 . 5.500 3.600 3.217 3.844 . 0 0 "[ . 1]" 1
395 1 87 LEU HG 1 88 MET H 0.000 . 4.500 3.096 2.257 4.557 0.057 8 0 "[ . 1]" 1
396 1 87 LEU MD1 1 88 MET H 0.000 . 4.500 2.696 1.825 3.544 . 0 0 "[ . 1]" 1
397 1 89 MET H 1 89 MET HA 0.000 . 3.000 2.987 2.966 3.000 0.000 5 0 "[ . 1]" 1
398 1 89 MET H 1 89 MET QG 0.000 . 4.500 4.003 3.852 4.148 . 0 0 "[ . 1]" 1
399 1 45 SER HA 1 89 MET H 0.000 . 4.000 3.624 3.367 4.007 0.007 9 0 "[ . 1]" 1
400 1 88 MET HA 1 89 MET H 0.000 . 2.500 2.170 2.098 2.227 . 0 0 "[ . 1]" 1
401 1 44 VAL HB 1 89 MET H 0.000 . 4.000 3.296 2.441 4.000 0.000 3 0 "[ . 1]" 1
402 1 63 LEU MD1 1 89 MET H 0.000 . 6.500 4.658 3.788 5.346 . 0 0 "[ . 1]" 1
403 1 44 VAL MG1 1 89 MET H 0.000 . 6.500 3.583 2.690 4.497 . 0 0 "[ . 1]" 1
404 1 90 VAL H 1 90 VAL HA 0.000 . 3.000 2.981 2.969 2.994 . 0 0 "[ . 1]" 1
405 1 90 VAL H 1 90 VAL HB 0.000 . 4.000 2.677 2.498 2.843 . 0 0 "[ . 1]" 1
406 1 89 MET HA 1 90 VAL H 0.000 . 3.000 2.277 2.120 2.435 . 0 0 "[ . 1]" 1
407 1 78 GLN H 1 90 VAL H 0.000 . 5.000 3.861 3.467 4.189 . 0 0 "[ . 1]" 1
408 1 89 MET QB 1 90 VAL H 0.000 . 4.500 3.425 2.966 3.750 . 0 0 "[ . 1]" 1
409 1 78 GLN QB 1 90 VAL H 0.000 . 4.500 3.150 2.669 3.566 . 0 0 "[ . 1]" 1
410 1 91 ILE H 1 91 ILE HA 0.000 . 3.000 2.995 2.986 3.001 0.001 4 0 "[ . 1]" 1
411 1 91 ILE H 1 91 ILE HB 0.000 . 3.000 2.617 2.490 2.821 . 0 0 "[ . 1]" 1
412 1 91 ILE H 1 91 ILE QG 0.000 . 5.000 2.758 2.522 3.119 . 0 0 "[ . 1]" 1
413 1 90 VAL HA 1 91 ILE H 0.000 . 2.800 2.153 2.102 2.188 . 0 0 "[ . 1]" 1
414 1 43 LYS HA 1 91 ILE H 0.000 . 4.500 2.866 2.369 3.123 . 0 0 "[ . 1]" 1
415 1 42 ALA H 1 91 ILE H 0.000 . 4.500 3.745 3.488 4.025 . 0 0 "[ . 1]" 1
416 1 90 VAL MG1 1 91 ILE H 0.000 . 6.500 2.464 2.168 2.891 . 0 0 "[ . 1]" 1
417 1 90 VAL MG2 1 91 ILE H 0.000 . 6.500 4.064 3.951 4.150 . 0 0 "[ . 1]" 1
418 1 92 ALA H 1 92 ALA HA 0.000 . 3.000 2.975 2.936 2.996 . 0 0 "[ . 1]" 1
419 1 75 THR H 1 92 ALA H 0.000 . 3.500 3.151 2.926 3.359 . 0 0 "[ . 1]" 1
420 1 76 VAL HA 1 92 ALA H 0.000 . 4.500 3.215 2.765 3.464 . 0 0 "[ . 1]" 1
421 1 91 ILE HA 1 92 ALA H 0.000 . 2.800 2.188 2.152 2.269 . 0 0 "[ . 1]" 1
422 1 91 ILE MG 1 92 ALA H 0.000 . 5.000 2.379 2.166 2.750 . 0 0 "[ . 1]" 1
423 1 74 GLY QA 1 94 LYS H 0.000 . 4.500 3.048 2.483 3.979 . 0 0 "[ . 1]" 1
424 1 93 PRO QB 1 94 LYS H 0.000 . 6.000 2.795 2.249 3.215 . 0 0 "[ . 1]" 1
425 1 36 LEU QB 1 94 LYS H 0.000 . 4.000 3.284 3.120 3.454 . 0 0 "[ . 1]" 1
426 1 1 VAL HA 1 1 VAL HB 0.000 . 3.000 2.750 2.465 3.054 0.054 5 0 "[ . 1]" 1
427 1 2 ALA HA 1 5 ASN QB 0.000 . 4.500 3.594 2.594 4.002 . 0 0 "[ . 1]" 1
428 1 9 ALA MB 1 40 ASP HA 0.000 . 5.500 4.057 3.158 4.667 . 0 0 "[ . 1]" 1
429 1 9 ALA HA 1 40 ASP QB 0.000 . 6.500 5.006 3.731 5.908 . 0 0 "[ . 1]" 1
430 1 9 ALA HA 1 10 GLN QB 0.000 . 6.500 4.460 3.993 4.862 . 0 0 "[ . 1]" 1
431 1 10 GLN HA 1 11 VAL HB 0.000 . 5.000 4.757 4.601 5.003 0.003 3 0 "[ . 1]" 1
432 1 10 GLN HA 1 11 VAL MG2 0.000 . 6.500 4.703 3.340 5.656 . 0 0 "[ . 1]" 1
433 1 11 VAL HA 1 11 VAL HB 0.000 . 3.000 2.655 2.386 3.034 0.034 6 0 "[ . 1]" 1
434 1 11 VAL HA 1 41 LYS QB 0.000 . 4.500 3.027 2.312 3.494 . 0 0 "[ . 1]" 1
435 1 11 VAL QG 1 12 LYS HA 0.000 . 8.000 3.448 3.270 3.801 . 0 0 "[ . 1]" 1
436 1 12 LYS HA 1 13 GLU QB 0.000 . 5.500 4.241 3.890 4.589 . 0 0 "[ . 1]" 1
437 1 13 GLU HA 1 43 LYS QB 0.000 . 4.500 3.359 2.586 4.136 . 0 0 "[ . 1]" 1
438 1 14 ILE HA 1 14 ILE HB 0.000 . 3.000 3.054 3.049 3.057 0.057 6 0 "[ . 1]" 1
439 1 14 ILE HB 1 28 LYS QB 0.000 . 6.500 5.328 4.645 5.836 . 0 0 "[ . 1]" 1
440 1 14 ILE HB 1 32 LEU QD 0.000 . 7.500 2.419 2.004 2.929 . 0 0 "[ . 1]" 1
441 1 14 ILE MG 1 35 PHE QD 0.000 . 8.000 5.650 4.891 6.032 . 0 0 "[ . 1]" 1
442 1 14 ILE MG 1 16 PHE QD 0.000 . 8.500 3.292 2.344 4.250 . 0 0 "[ . 1]" 1
443 1 14 ILE MG 1 31 ASN QB 0.000 . 6.500 3.115 2.466 3.547 . 0 0 "[ . 1]" 1
444 1 14 ILE MG 1 44 VAL HA 0.000 . 6.500 4.645 4.466 4.846 . 0 0 "[ . 1]" 1
445 1 14 ILE MG 1 28 LYS HA 0.000 . 5.500 3.284 2.808 3.773 . 0 0 "[ . 1]" 1
446 1 14 ILE MG 1 28 LYS QG 0.000 . 7.000 2.927 2.190 4.086 . 0 0 "[ . 1]" 1
447 1 15 LYS HA 1 15 LYS QG 0.000 . 4.000 2.623 2.106 3.515 . 0 0 "[ . 1]" 1
448 1 15 LYS HA 1 45 SER QB 0.000 . 5.500 3.001 2.634 3.820 . 0 0 "[ . 1]" 1
449 1 15 LYS QB 1 16 PHE HA 0.000 . 6.000 4.124 3.978 4.305 . 0 0 "[ . 1]" 1
450 1 16 PHE HA 1 17 ARG QB 0.000 . 6.000 4.219 3.863 4.629 . 0 0 "[ . 1]" 1
451 1 14 ILE MG 1 16 PHE HA 0.000 . 6.500 4.382 4.128 4.942 . 0 0 "[ . 1]" 1
452 1 20 THR HA 1 20 THR HB 0.000 . 3.000 2.880 2.585 3.075 0.075 6 0 "[ . 1]" 1
453 1 20 THR MG 1 24 ASP QB 0.000 . 5.000 2.218 1.827 2.762 . 0 0 "[ . 1]" 1
454 1 20 THR MG 1 25 TYR QB 0.000 . 6.500 2.172 1.911 2.455 . 0 0 "[ . 1]" 1
455 1 20 THR MG 1 25 TYR QD 0.000 . 8.500 3.177 2.236 3.778 . 0 0 "[ . 1]" 1
456 1 16 PHE QD 1 20 THR MG 0.000 . 8.500 3.774 2.915 4.749 . 0 0 "[ . 1]" 1
457 1 22 GLU HA 1 25 TYR QB 0.000 . 4.500 2.537 2.178 2.866 . 0 0 "[ . 1]" 1
458 1 22 GLU HA 1 25 TYR QD 0.000 . 6.500 3.750 2.955 4.720 . 0 0 "[ . 1]" 1
459 1 23 GLY QA 1 26 GLN QB 0.000 . 5.000 2.768 2.470 2.957 . 0 0 "[ . 1]" 1
460 1 22 GLU QB 1 23 GLY QA 0.000 . 6.000 3.619 3.446 4.173 . 0 0 "[ . 1]" 1
461 1 24 ASP HA 1 27 VAL HB 0.000 . 5.000 4.932 4.818 5.024 0.024 10 0 "[ . 1]" 1
462 1 24 ASP HA 1 27 VAL QG 0.000 . 7.000 2.135 2.042 2.258 . 0 0 "[ . 1]" 1
463 1 20 THR MG 1 25 TYR HA 0.000 . 5.000 2.517 2.197 2.717 . 0 0 "[ . 1]" 1
464 1 25 TYR HA 1 28 LYS QB 0.000 . 4.500 2.736 2.604 2.986 . 0 0 "[ . 1]" 1
465 1 26 GLN HA 1 29 LEU QB 0.000 . 4.000 2.844 2.494 3.207 . 0 0 "[ . 1]" 1
466 1 26 GLN HA 1 29 LEU QD 0.000 . 8.000 3.354 2.673 4.022 . 0 0 "[ . 1]" 1
467 1 25 TYR QD 1 26 GLN HA 0.000 . 7.000 3.763 2.905 4.331 . 0 0 "[ . 1]" 1
468 1 27 VAL HA 1 27 VAL HB 0.000 . 3.000 2.463 2.354 2.498 . 0 0 "[ . 1]" 1
469 1 26 GLN QB 1 27 VAL MG2 0.000 . 5.500 3.931 3.816 4.360 . 0 0 "[ . 1]" 1
470 1 24 ASP QB 1 27 VAL MG2 0.000 . 7.000 3.596 3.434 3.738 . 0 0 "[ . 1]" 1
471 1 23 GLY QA 1 27 VAL MG2 0.000 . 7.500 4.460 4.100 4.989 . 0 0 "[ . 1]" 1
472 1 24 ASP HA 1 27 VAL MG2 0.000 . 4.500 2.184 2.055 2.524 . 0 0 "[ . 1]" 1
473 1 27 VAL MG2 1 30 ARG QB 0.000 . 7.500 4.522 4.349 4.737 . 0 0 "[ . 1]" 1
474 1 24 ASP QB 1 27 VAL MG1 0.000 . 7.000 4.969 4.405 5.120 . 0 0 "[ . 1]" 1
475 1 26 GLN QB 1 27 VAL HA 0.000 . 5.500 3.855 3.657 4.203 . 0 0 "[ . 1]" 1
476 1 27 VAL HA 1 30 ARG QB 0.000 . 5.000 2.462 2.200 2.649 . 0 0 "[ . 1]" 1
477 1 28 LYS HA 1 28 LYS QG 0.000 . 4.000 2.409 2.209 2.733 . 0 0 "[ . 1]" 1
478 1 28 LYS HA 1 31 ASN QB 0.000 . 4.500 2.962 2.476 3.279 . 0 0 "[ . 1]" 1
479 1 28 LYS HA 1 32 LEU HG 0.000 . 5.000 4.840 4.592 5.061 0.061 9 0 "[ . 1]" 1
480 1 27 VAL MG2 1 28 LYS HA 0.000 . 6.500 3.037 2.800 3.212 . 0 0 "[ . 1]" 1
481 1 27 VAL MG1 1 28 LYS HA 0.000 . 6.000 5.361 5.189 5.397 . 0 0 "[ . 1]" 1
482 1 14 ILE MD 1 28 LYS HA 0.000 . 6.000 4.464 3.676 4.863 . 0 0 "[ . 1]" 1
483 1 29 LEU HA 1 29 LEU HG 0.000 . 3.000 2.521 2.177 3.062 0.062 10 0 "[ . 1]" 1
484 1 29 LEU HA 1 32 LEU QB 0.000 . 4.500 2.761 2.443 2.986 . 0 0 "[ . 1]" 1
485 1 29 LEU HA 1 32 LEU QD 0.000 . 7.500 2.811 2.629 3.055 . 0 0 "[ . 1]" 1
486 1 25 TYR QE 1 29 LEU MD2 0.000 . 8.500 3.480 2.049 4.885 . 0 0 "[ . 1]" 1
487 1 25 TYR QD 1 29 LEU MD2 0.000 . 8.500 4.693 3.479 5.947 . 0 0 "[ . 1]" 1
488 1 28 LYS QB 1 29 LEU MD2 0.000 . 7.000 4.958 4.202 5.300 . 0 0 "[ . 1]" 1
489 1 25 TYR QE 1 29 LEU MD1 0.000 . 8.500 2.679 2.010 3.623 . 0 0 "[ . 1]" 1
490 1 25 TYR QD 1 29 LEU MD1 0.000 . 8.500 3.586 2.560 4.739 . 0 0 "[ . 1]" 1
491 1 29 LEU MD2 1 69 ASP QB 0.000 . 5.500 3.108 2.110 3.976 . 0 0 "[ . 1]" 1
492 1 30 ARG HA 1 30 ARG QG 0.000 . 4.000 2.338 2.146 2.634 . 0 0 "[ . 1]" 1
493 1 30 ARG HA 1 33 VAL HB 0.000 . 4.000 2.738 2.471 3.078 . 0 0 "[ . 1]" 1
494 1 30 ARG HA 1 33 VAL MG1 0.000 . 6.000 4.014 3.739 4.253 . 0 0 "[ . 1]" 1
495 1 31 ASN HA 1 34 ARG QB 0.000 . 4.000 2.679 2.427 2.997 . 0 0 "[ . 1]" 1
496 1 30 ARG QB 1 31 ASN HA 0.000 . 5.500 3.878 3.710 4.184 . 0 0 "[ . 1]" 1
497 1 31 ASN HA 1 35 PHE QD 0.000 . 7.000 3.500 2.944 4.541 . 0 0 "[ . 1]" 1
498 1 32 LEU HA 1 32 LEU HG 0.000 . 3.000 2.585 2.437 2.753 . 0 0 "[ . 1]" 1
499 1 32 LEU HA 1 35 PHE QD 0.000 . 5.500 3.498 2.445 3.987 . 0 0 "[ . 1]" 1
500 1 32 LEU HA 1 35 PHE QB 0.000 . 4.500 2.730 2.436 3.417 . 0 0 "[ . 1]" 1
501 1 31 ASN QB 1 32 LEU HA 0.000 . 6.000 3.753 3.688 3.788 . 0 0 "[ . 1]" 1
502 1 32 LEU HA 1 33 VAL HB 0.000 . 6.000 5.793 5.740 5.857 . 0 0 "[ . 1]" 1
503 1 32 LEU MD2 1 91 ILE QG 0.000 . 5.500 3.791 3.670 3.876 . 0 0 "[ . 1]" 1
504 1 14 ILE HB 1 32 LEU MD2 0.000 . 4.500 2.599 2.076 3.366 . 0 0 "[ . 1]" 1
505 1 32 LEU MD2 1 35 PHE QD 0.000 . 7.000 3.955 3.097 5.042 . 0 0 "[ . 1]" 1
506 1 32 LEU MD1 1 91 ILE HB 0.000 . 7.500 5.755 5.140 6.163 . 0 0 "[ . 1]" 1
507 1 25 TYR QE 1 32 LEU MD1 0.000 . 8.500 5.533 5.041 6.445 . 0 0 "[ . 1]" 1
508 1 33 VAL HA 1 33 VAL HB 0.000 . 3.000 3.048 3.039 3.054 0.054 3 0 "[ . 1]" 1
509 1 33 VAL HA 1 36 LEU QB 0.000 . 4.500 3.222 2.563 3.558 . 0 0 "[ . 1]" 1
510 1 33 VAL HA 1 70 LEU QD 0.000 . 7.500 2.616 2.331 2.956 . 0 0 "[ . 1]" 1
511 1 33 VAL MG2 1 73 TYR QD 0.000 . 7.500 4.216 3.682 4.898 . 0 0 "[ . 1]" 1
512 1 33 VAL MG2 1 73 TYR QE 0.000 . 7.500 5.414 4.711 6.036 . 0 0 "[ . 1]" 1
513 1 33 VAL MG2 1 70 LEU MD1 0.000 . 7.500 3.433 3.244 3.599 . 0 0 "[ . 1]" 1
514 1 33 VAL MG1 1 36 LEU MD1 0.000 . 8.000 3.491 3.052 4.163 . 0 0 "[ . 1]" 1
515 1 33 VAL MG1 1 73 TYR QE 0.000 . 8.000 3.871 2.724 5.344 . 0 0 "[ . 1]" 1
516 1 34 ARG HA 1 34 ARG QG 0.000 . 4.000 2.498 2.227 2.850 . 0 0 "[ . 1]" 1
517 1 34 ARG HA 1 37 SER QB 0.000 . 4.000 2.563 2.254 3.092 . 0 0 "[ . 1]" 1
518 1 35 PHE HA 1 35 PHE HD1 0.000 . 3.800 2.667 2.153 4.083 0.283 6 0 "[ . 1]" 1
519 1 35 PHE HA 1 38 GLU QB 0.000 . 4.500 3.196 2.694 3.671 . 0 0 "[ . 1]" 1
520 1 36 LEU HA 1 36 LEU HG 0.000 . 3.000 2.921 2.789 3.124 0.124 8 0 "[ . 1]" 1
521 1 41 LYS HA 1 41 LYS QG 0.000 . 4.000 2.412 2.162 2.746 . 0 0 "[ . 1]" 1
522 1 41 LYS HA 1 93 PRO QG 0.000 . 5.500 3.468 2.700 4.209 . 0 0 "[ . 1]" 1
523 1 41 LYS HA 1 93 PRO QD 0.000 . 5.500 2.422 2.113 2.953 . 0 0 "[ . 1]" 1
524 1 36 LEU MD2 1 41 LYS HA 0.000 . 6.500 3.373 2.773 4.227 . 0 0 "[ . 1]" 1
525 1 11 VAL MG1 1 42 ALA HA 0.000 . 6.000 4.609 2.306 6.518 0.518 2 1 "[ + . 1]" 1
526 1 42 ALA MB 1 91 ILE HB 0.000 . 4.500 2.814 2.231 3.388 . 0 0 "[ . 1]" 1
527 1 35 PHE QD 1 42 ALA MB 0.000 . 7.500 3.070 2.426 3.956 . 0 0 "[ . 1]" 1
528 1 32 LEU QD 1 42 ALA MB 0.000 . 8.500 2.331 1.901 2.688 . 0 0 "[ . 1]" 1
529 1 43 LYS HA 1 43 LYS QG 0.000 . 4.000 2.859 2.569 3.338 . 0 0 "[ . 1]" 1
530 1 43 LYS HA 1 90 VAL QG 0.000 . 7.000 3.103 2.785 3.574 . 0 0 "[ . 1]" 1
531 1 43 LYS HA 1 90 VAL HA 0.000 . 3.000 2.328 2.181 2.500 . 0 0 "[ . 1]" 1
532 1 44 VAL HA 1 44 VAL HB 0.000 . 3.000 3.042 3.026 3.055 0.055 7 0 "[ . 1]" 1
533 1 14 ILE HB 1 44 VAL HA 0.000 . 4.500 3.523 3.376 3.619 . 0 0 "[ . 1]" 1
534 1 32 LEU MD2 1 44 VAL HA 0.000 . 4.800 3.382 2.903 3.732 . 0 0 "[ . 1]" 1
535 1 44 VAL MG2 1 63 LEU QD 0.000 . 8.500 3.471 3.033 3.897 . 0 0 "[ . 1]" 1
536 1 44 VAL MG1 1 46 LEU MD1 0.000 . 6.000 2.423 2.047 3.754 . 0 0 "[ . 1]" 1
537 1 44 VAL MG1 1 63 LEU QD 0.000 . 8.500 2.402 2.091 2.932 . 0 0 "[ . 1]" 1
538 1 45 SER HA 1 88 MET QB 0.000 . 4.400 3.387 2.636 3.742 . 0 0 "[ . 1]" 1
539 1 46 LEU HA 1 46 LEU HG 0.000 . 3.000 2.185 2.104 2.459 . 0 0 "[ . 1]" 1
540 1 46 LEU HA 1 63 LEU QD 0.000 . 7.500 5.161 4.460 5.418 . 0 0 "[ . 1]" 1
541 1 16 PHE QB 1 46 LEU HA 0.000 . 5.000 3.327 2.842 4.564 . 0 0 "[ . 1]" 1
542 1 46 LEU MD1 1 48 PHE QD 0.000 . 7.000 5.781 4.590 6.466 . 0 0 "[ . 1]" 1
543 1 46 LEU MD1 1 62 LEU QB 0.000 . 6.500 4.121 2.443 4.567 . 0 0 "[ . 1]" 1
544 1 46 LEU MD1 1 62 LEU QD 0.000 . 8.000 3.209 2.137 4.156 . 0 0 "[ . 1]" 1
545 1 46 LEU MD1 1 59 GLY QA 0.000 . 6.000 4.050 2.135 4.873 . 0 0 "[ . 1]" 1
546 1 18 PRO HA 1 46 LEU MD1 0.000 . 5.000 4.899 4.646 5.019 0.019 10 0 "[ . 1]" 1
547 1 46 LEU MD2 1 48 PHE QE 0.000 . 7.500 3.035 2.396 3.555 . 0 0 "[ . 1]" 1
548 1 18 PRO HA 1 46 LEU MD2 0.000 . 6.000 3.346 2.845 3.843 . 0 0 "[ . 1]" 1
549 1 46 LEU MD2 1 62 LEU QB 0.000 . 6.500 3.826 3.288 4.230 . 0 0 "[ . 1]" 1
550 1 47 ARG HA 1 47 ARG QG 0.000 . 4.000 2.651 2.131 3.308 . 0 0 "[ . 1]" 1
551 1 47 ARG HA 1 86 GLN HA 0.000 . 4.500 3.599 3.235 4.243 . 0 0 "[ . 1]" 1
552 1 47 ARG HA 1 86 GLN QB 0.000 . 5.500 4.089 3.395 4.690 . 0 0 "[ . 1]" 1
553 1 47 ARG QB 1 48 PHE HA 0.000 . 5.500 4.502 4.258 4.841 . 0 0 "[ . 1]" 1
554 1 51 ARG HA 1 51 ARG QG 0.000 . 4.000 2.445 2.134 3.197 . 0 0 "[ . 1]" 1
555 1 48 PHE HD2 1 52 GLU HA 0.000 . 4.500 3.810 2.867 4.565 0.065 4 0 "[ . 1]" 1
556 1 53 MET HA 1 53 MET QG 0.000 . 4.000 2.508 2.141 3.048 . 0 0 "[ . 1]" 1
557 1 53 MET HA 1 53 MET ME 0.000 . 5.000 3.792 2.596 4.142 . 0 0 "[ . 1]" 1
558 1 54 ALA MB 1 55 HIS HD2 0.000 . 4.500 2.670 2.173 3.333 . 0 0 "[ . 1]" 1
559 1 53 MET QB 1 54 ALA MB 0.000 . 7.500 3.660 3.484 4.261 . 0 0 "[ . 1]" 1
560 1 55 HIS HA 1 55 HIS HD2 0.000 . 3.000 2.515 2.197 2.949 . 0 0 "[ . 1]" 1
561 1 55 HIS HA 1 58 LEU QB 0.000 . 4.500 2.670 2.275 3.108 . 0 0 "[ . 1]" 1
562 1 55 HIS HA 1 58 LEU QD 0.000 . 7.500 3.706 3.075 4.424 . 0 0 "[ . 1]" 1
563 1 56 GLN HA 1 56 GLN QG 0.000 . 4.000 2.366 2.187 2.849 . 0 0 "[ . 1]" 1
564 1 48 PHE QE 1 56 GLN HA 0.000 . 5.500 2.804 2.244 3.710 . 0 0 "[ . 1]" 1
565 1 56 GLN HA 1 59 GLY QA 0.000 . 5.500 3.764 3.431 4.162 . 0 0 "[ . 1]" 1
566 1 57 GLU HA 1 60 MET QB 0.000 . 4.500 2.989 2.773 3.329 . 0 0 "[ . 1]" 1
567 1 57 GLU HA 1 60 MET QG 0.000 . 6.000 4.485 3.477 5.127 . 0 0 "[ . 1]" 1
568 1 58 LEU HA 1 58 LEU HG 0.000 . 3.400 2.705 2.256 3.541 0.141 6 0 "[ . 1]" 1
569 1 58 LEU HA 1 61 GLU QB 0.000 . 5.000 2.571 2.278 2.753 . 0 0 "[ . 1]" 1
570 1 58 LEU MD1 1 61 GLU QB 0.000 . 7.500 3.482 2.676 5.146 . 0 0 "[ . 1]" 1
571 1 57 GLU QB 1 58 LEU MD2 0.000 . 7.500 5.134 3.498 5.598 . 0 0 "[ . 1]" 1
572 1 55 HIS HA 1 58 LEU MD2 0.000 . 7.000 3.996 3.241 5.090 . 0 0 "[ . 1]" 1
573 1 60 MET HA 1 60 MET QG 0.000 . 4.000 2.366 2.092 3.069 . 0 0 "[ . 1]" 1
574 1 60 MET HA 1 63 LEU QB 0.000 . 4.500 3.143 2.775 3.418 . 0 0 "[ . 1]" 1
575 1 60 MET ME 1 87 LEU MD2 0.000 . 7.000 4.311 2.467 5.143 . 0 0 "[ . 1]" 1
576 1 61 GLU HA 1 64 LYS QB 0.000 . 4.500 2.596 2.212 2.768 . 0 0 "[ . 1]" 1
577 1 61 GLU HA 1 64 LYS QD 0.000 . 5.000 3.679 2.756 4.583 . 0 0 "[ . 1]" 1
578 1 58 LEU HA 1 61 GLU QG 0.000 . 5.000 4.282 4.062 4.484 . 0 0 "[ . 1]" 1
579 1 62 LEU HA 1 62 LEU HG 0.000 . 3.000 2.586 2.170 2.980 . 0 0 "[ . 1]" 1
580 1 62 LEU HA 1 65 ARG QB 0.000 . 4.500 3.239 2.915 3.789 . 0 0 "[ . 1]" 1
581 1 16 PHE QB 1 62 LEU MD2 0.000 . 7.000 4.142 3.058 5.055 . 0 0 "[ . 1]" 1
582 1 59 GLY QA 1 62 LEU MD2 0.000 . 6.500 3.630 3.154 4.196 . 0 0 "[ . 1]" 1
583 1 16 PHE QD 1 62 LEU MD2 0.000 . 8.500 3.805 2.431 6.384 . 0 0 "[ . 1]" 1
584 1 25 TYR QD 1 62 LEU MD2 0.000 . 8.500 3.794 3.371 4.418 . 0 0 "[ . 1]" 1
585 1 25 TYR QE 1 62 LEU MD1 0.000 . 7.500 3.675 2.139 4.819 . 0 0 "[ . 1]" 1
586 1 63 LEU HA 1 63 LEU HG 0.000 . 3.500 3.166 3.064 3.241 . 0 0 "[ . 1]" 1
587 1 63 LEU HA 1 66 VAL HB 0.000 . 4.500 3.233 2.153 4.520 0.020 9 0 "[ . 1]" 1
588 1 63 LEU MD1 1 87 LEU MD1 0.000 . 6.000 3.592 2.777 4.144 . 0 0 "[ . 1]" 1
589 1 63 LEU MD1 1 89 MET ME 0.000 . 6.500 3.729 3.168 4.256 . 0 0 "[ . 1]" 1
590 1 63 LEU MD1 1 87 LEU QB 0.000 . 7.000 3.754 2.491 4.336 . 0 0 "[ . 1]" 1
591 1 63 LEU MD1 1 89 MET QB 0.000 . 7.000 2.741 2.232 3.670 . 0 0 "[ . 1]" 1
592 1 62 LEU QB 1 63 LEU MD2 0.000 . 5.000 3.146 3.074 3.219 . 0 0 "[ . 1]" 1
593 1 63 LEU MD2 1 66 VAL QG 0.000 . 7.500 2.676 2.392 2.986 . 0 0 "[ . 1]" 1
594 1 62 LEU HA 1 63 LEU MD2 0.000 . 7.000 5.035 4.833 5.276 . 0 0 "[ . 1]" 1
595 1 64 LYS HA 1 64 LYS QG 0.000 . 4.000 2.293 2.124 2.478 . 0 0 "[ . 1]" 1
596 1 64 LYS HA 1 64 LYS QD 0.000 . 5.000 3.174 2.225 3.982 . 0 0 "[ . 1]" 1
597 1 64 LYS HA 1 67 GLU QB 0.000 . 4.500 2.742 2.443 3.170 . 0 0 "[ . 1]" 1
598 1 63 LEU QB 1 64 LYS HA 0.000 . 6.000 3.882 3.826 3.948 . 0 0 "[ . 1]" 1
599 1 65 ARG HA 1 65 ARG QG 0.000 . 4.000 2.452 2.220 2.997 . 0 0 "[ . 1]" 1
600 1 65 ARG HA 1 68 ALA MB 0.000 . 5.500 2.957 2.733 3.191 . 0 0 "[ . 1]" 1
601 1 65 ARG HA 1 67 GLU QB 0.000 . 6.000 4.793 4.704 4.919 . 0 0 "[ . 1]" 1
602 1 66 VAL HA 1 66 VAL HB 0.000 . 2.800 2.849 2.567 3.028 0.228 10 0 "[ . 1]" 1
603 1 66 VAL HA 1 69 ASP QB 0.000 . 4.500 2.691 2.354 3.030 . 0 0 "[ . 1]" 1
604 1 63 LEU MD2 1 66 VAL HB 0.000 . 5.500 3.846 3.182 4.587 . 0 0 "[ . 1]" 1
605 1 44 VAL QG 1 66 VAL MG2 0.000 . 8.500 4.298 3.859 4.934 . 0 0 "[ . 1]" 1
606 1 66 VAL MG2 1 70 LEU QD 0.000 . 8.500 4.079 3.283 4.670 . 0 0 "[ . 1]" 1
607 1 25 TYR HE1 1 66 VAL MG1 0.000 . 4.500 3.163 2.178 3.821 . 0 0 "[ . 1]" 1
608 1 25 TYR HD1 1 66 VAL MG1 0.000 . 6.500 4.890 4.004 5.440 . 0 0 "[ . 1]" 1
609 1 62 LEU HG 1 66 VAL MG1 0.000 . 5.000 4.013 3.772 4.136 . 0 0 "[ . 1]" 1
610 1 63 LEU QD 1 66 VAL MG1 0.000 . 9.000 3.588 2.770 4.288 . 0 0 "[ . 1]" 1
611 1 67 GLU HA 1 91 ILE MD 0.000 . 6.000 3.338 2.658 3.991 . 0 0 "[ . 1]" 1
612 1 68 ALA HA 1 71 VAL HB 0.000 . 4.500 3.616 2.255 4.575 0.075 10 0 "[ . 1]" 1
613 1 68 ALA HA 1 71 VAL MG2 0.000 . 5.000 2.179 2.106 2.315 . 0 0 "[ . 1]" 1
614 1 68 ALA HA 1 71 VAL MG1 0.000 . 5.000 2.744 2.001 3.738 . 0 0 "[ . 1]" 1
615 1 69 ASP QB 1 70 LEU HG 0.000 . 5.000 3.284 3.080 3.420 . 0 0 "[ . 1]" 1
616 1 68 ALA MB 1 69 ASP QB 0.000 . 7.000 3.807 3.564 4.418 . 0 0 "[ . 1]" 1
617 1 66 VAL MG1 1 69 ASP QB 0.000 . 7.500 3.585 3.329 3.956 . 0 0 "[ . 1]" 1
618 1 70 LEU HA 1 70 LEU HG 0.000 . 3.000 2.510 2.335 2.718 . 0 0 "[ . 1]" 1
619 1 70 LEU HA 1 73 TYR QD 0.000 . 5.500 4.342 3.425 5.239 . 0 0 "[ . 1]" 1
620 1 70 LEU QB 1 73 TYR QB 0.000 . 6.500 4.301 3.882 4.657 . 0 0 "[ . 1]" 1
621 1 36 LEU QB 1 70 LEU MD2 0.000 . 5.000 3.720 3.662 3.763 . 0 0 "[ . 1]" 1
622 1 32 LEU QB 1 70 LEU MD2 0.000 . 6.000 3.233 2.779 3.609 . 0 0 "[ . 1]" 1
623 1 70 LEU MD2 1 91 ILE MD 0.000 . 5.500 3.523 3.403 3.736 . 0 0 "[ . 1]" 1
624 1 70 LEU MD2 1 73 TYR QD 0.000 . 7.000 4.130 2.979 4.878 . 0 0 "[ . 1]" 1
625 1 32 LEU QB 1 70 LEU MD1 0.000 . 8.000 2.910 2.370 3.367 . 0 0 "[ . 1]" 1
626 1 70 LEU MD1 1 74 GLY QA 0.000 . 7.500 4.837 4.052 5.285 . 0 0 "[ . 1]" 1
627 1 71 VAL HA 1 71 VAL HB 0.000 . 2.800 2.683 2.415 3.022 0.222 4 0 "[ . 1]" 1
628 1 68 ALA MB 1 71 VAL MG2 0.000 . 7.500 3.263 2.870 3.541 . 0 0 "[ . 1]" 1
629 1 71 VAL MG2 1 72 GLU QG 0.000 . 6.500 3.215 2.118 4.863 . 0 0 "[ . 1]" 1
630 1 70 LEU QB 1 71 VAL MG1 0.000 . 7.500 4.234 3.290 5.333 . 0 0 "[ . 1]" 1
631 1 71 VAL MG1 1 72 GLU QG 0.000 . 7.500 3.955 2.533 4.812 . 0 0 "[ . 1]" 1
632 1 71 VAL QG 1 72 GLU HA 0.000 . 7.500 3.265 3.120 3.394 . 0 0 "[ . 1]" 1
633 1 73 TYR HA 1 73 TYR HD2 0.000 . 3.500 2.754 2.184 3.462 . 0 0 "[ . 1]" 1
634 1 36 LEU MD1 1 73 TYR HA 0.000 . 6.500 5.215 5.075 5.355 . 0 0 "[ . 1]" 1
635 1 36 LEU QB 1 73 TYR HA 0.000 . 6.000 5.440 5.389 5.473 . 0 0 "[ . 1]" 1
636 1 74 GLY QA 1 91 ILE MG 0.000 . 6.000 3.064 2.722 3.352 . 0 0 "[ . 1]" 1
637 1 75 THR HA 1 75 THR HB 0.000 . 3.000 2.573 2.362 3.005 0.005 6 0 "[ . 1]" 1
638 1 75 THR HA 1 76 VAL HB 0.000 . 4.500 4.421 4.306 4.478 . 0 0 "[ . 1]" 1
639 1 71 VAL MG1 1 75 THR HA 0.000 . 6.000 4.012 3.331 4.459 . 0 0 "[ . 1]" 1
640 1 75 THR HA 1 91 ILE MG 0.000 . 6.500 4.034 3.630 4.397 . 0 0 "[ . 1]" 1
641 1 76 VAL HA 1 76 VAL HB 0.000 . 2.800 2.540 2.493 2.614 . 0 0 "[ . 1]" 1
642 1 75 THR HA 1 76 VAL MG1 0.000 . 6.500 3.991 3.748 4.268 . 0 0 "[ . 1]" 1
643 1 76 VAL MG1 1 79 HIS HA 0.000 . 5.000 4.337 3.665 5.059 0.059 9 0 "[ . 1]" 1
644 1 76 VAL HA 1 91 ILE MG 0.000 . 6.500 3.343 2.849 4.065 . 0 0 "[ . 1]" 1
645 1 76 VAL HA 1 91 ILE MD 0.000 . 6.000 3.196 2.312 4.383 . 0 0 "[ . 1]" 1
646 1 76 VAL HA 1 91 ILE HA 0.000 . 2.800 2.465 2.180 2.792 . 0 0 "[ . 1]" 1
647 1 77 GLU QB 1 90 VAL MG1 0.000 . 6.000 2.457 1.966 3.147 . 0 0 "[ . 1]" 1
648 1 77 GLU QB 1 92 ALA MB 0.000 . 6.500 2.244 1.957 2.764 . 0 0 "[ . 1]" 1
649 1 78 GLN HA 1 78 GLN QG 0.000 . 4.000 2.249 2.106 2.443 . 0 0 "[ . 1]" 1
650 1 77 GLU QB 1 78 GLN HA 0.000 . 6.000 4.576 4.308 4.928 . 0 0 "[ . 1]" 1
651 1 76 VAL MG1 1 78 GLN HA 0.000 . 6.000 4.935 4.521 5.223 . 0 0 "[ . 1]" 1
652 1 76 VAL MG2 1 78 GLN HA 0.000 . 6.500 3.722 3.426 3.951 . 0 0 "[ . 1]" 1
653 1 78 GLN QB 1 91 ILE HA 0.000 . 6.500 5.746 5.544 5.867 . 0 0 "[ . 1]" 1
654 1 78 GLN QB 1 90 VAL QG 0.000 . 8.000 2.232 1.949 2.580 . 0 0 "[ . 1]" 1
655 1 78 GLN QB 1 90 VAL HB 0.000 . 4.000 2.086 1.982 2.162 . 0 0 "[ . 1]" 1
656 1 79 HIS HA 1 79 HIS HD2 0.000 . 3.800 3.349 2.607 3.948 0.148 7 0 "[ . 1]" 1
657 1 79 HIS HA 1 80 PRO QD 0.000 . 5.000 1.978 1.940 2.012 . 0 0 "[ . 1]" 1
658 1 80 PRO HA 1 90 VAL MG2 0.000 . 6.500 5.049 4.583 5.210 . 0 0 "[ . 1]" 1
659 1 80 PRO HA 1 89 MET QB 0.000 . 6.500 3.552 2.826 4.109 . 0 0 "[ . 1]" 1
660 1 81 LYS HA 1 81 LYS QG 0.000 . 4.000 2.357 2.115 3.302 . 0 0 "[ . 1]" 1
661 1 81 LYS HA 1 87 LEU MD1 0.000 . 6.000 4.239 3.677 4.656 . 0 0 "[ . 1]" 1
662 1 81 LYS QB 1 82 LEU QB 0.000 . 6.000 4.579 4.241 4.832 . 0 0 "[ . 1]" 1
663 1 82 LEU HA 1 82 LEU HG 0.000 . 3.500 2.916 2.527 3.251 . 0 0 "[ . 1]" 1
664 1 82 LEU HA 1 87 LEU HA 0.000 . 3.500 3.325 2.870 3.535 0.035 8 0 "[ . 1]" 1
665 1 82 LEU HA 1 87 LEU QD 0.000 . 7.500 2.699 2.128 3.543 . 0 0 "[ . 1]" 1
666 1 82 LEU QB 1 87 LEU MD1 0.000 . 7.000 3.442 2.446 4.475 . 0 0 "[ . 1]" 1
667 1 48 PHE QD 1 82 LEU MD1 0.000 . 7.500 4.666 3.746 5.609 . 0 0 "[ . 1]" 1
668 1 82 LEU MD1 1 85 ARG HA 0.000 . 6.000 3.312 2.783 3.855 . 0 0 "[ . 1]" 1
669 1 85 ARG HA 1 85 ARG QG 0.000 . 4.000 2.667 2.113 3.466 . 0 0 "[ . 1]" 1
670 1 86 GLN HA 1 86 GLN QG 0.000 . 4.000 2.385 2.219 2.884 . 0 0 "[ . 1]" 1
671 1 86 GLN HA 1 87 LEU QB 0.000 . 5.500 3.981 3.905 4.058 . 0 0 "[ . 1]" 1
672 1 48 PHE QD 1 86 GLN HA 0.000 . 7.000 3.890 2.406 4.495 . 0 0 "[ . 1]" 1
673 1 87 LEU HA 1 87 LEU HG 0.000 . 3.500 2.912 2.518 3.541 0.041 9 0 "[ . 1]" 1
674 1 82 LEU QD 1 87 LEU HA 0.000 . 7.500 3.461 2.806 3.925 . 0 0 "[ . 1]" 1
675 1 48 PHE QE 1 87 LEU MD1 0.000 . 8.000 3.969 2.889 4.895 . 0 0 "[ . 1]" 1
676 1 48 PHE QE 1 87 LEU MD2 0.000 . 8.000 3.143 2.738 3.818 . 0 0 "[ . 1]" 1
677 1 48 PHE QD 1 87 LEU MD1 0.000 . 8.000 5.259 4.360 5.989 . 0 0 "[ . 1]" 1
678 1 88 MET HA 1 88 MET QG 0.000 . 4.000 2.760 2.316 3.464 . 0 0 "[ . 1]" 1
679 1 88 MET HA 1 88 MET ME 0.000 . 6.000 4.176 3.809 5.108 . 0 0 "[ . 1]" 1
680 1 45 SER HA 1 88 MET HA 0.000 . 3.000 2.443 2.197 2.621 . 0 0 "[ . 1]" 1
681 1 45 SER QB 1 88 MET HA 0.000 . 5.500 4.223 3.764 4.522 . 0 0 "[ . 1]" 1
682 1 88 MET HA 1 90 VAL MG2 0.000 . 6.500 5.363 5.298 5.400 . 0 0 "[ . 1]" 1
683 1 86 GLN QB 1 88 MET QB 0.000 . 5.500 4.131 4.040 4.236 . 0 0 "[ . 1]" 1
684 1 89 MET HA 1 89 MET ME 0.000 . 6.000 4.281 3.374 4.663 . 0 0 "[ . 1]" 1
685 1 89 MET HA 1 90 VAL QG 0.000 . 7.500 3.134 2.825 3.458 . 0 0 "[ . 1]" 1
686 1 88 MET QB 1 89 MET HA 0.000 . 5.500 4.445 4.201 4.644 . 0 0 "[ . 1]" 1
687 1 89 MET HA 1 90 VAL HB 0.000 . 4.500 4.603 4.513 4.721 0.221 10 0 "[ . 1]" 1
688 1 90 VAL HA 1 90 VAL HB 0.000 . 2.800 3.016 2.997 3.026 0.226 6 0 "[ . 1]" 1
689 1 43 LYS QB 1 90 VAL HA 0.000 . 5.500 3.129 2.211 3.977 . 0 0 "[ . 1]" 1
690 1 43 LYS QB 1 90 VAL MG1 0.000 . 5.000 3.086 2.597 3.411 . 0 0 "[ . 1]" 1
691 1 90 VAL MG1 1 92 ALA MB 0.000 . 7.500 4.156 3.908 4.405 . 0 0 "[ . 1]" 1
692 1 89 MET QB 1 90 VAL MG2 0.000 . 7.500 4.469 4.204 4.744 . 0 0 "[ . 1]" 1
693 1 78 GLN QB 1 90 VAL MG2 0.000 . 7.000 2.315 1.974 2.779 . 0 0 "[ . 1]" 1
694 1 91 ILE HA 1 91 ILE HB 0.000 . 3.000 3.053 3.047 3.060 0.060 7 0 "[ . 1]" 1
695 1 89 MET QB 1 91 ILE MD 0.000 . 7.000 4.460 4.100 5.015 . 0 0 "[ . 1]" 1
696 1 75 THR HA 1 91 ILE MD 0.000 . 6.500 4.686 4.028 5.259 . 0 0 "[ . 1]" 1
697 1 36 LEU QD 1 91 ILE MG 0.000 . 8.500 1.944 1.776 2.566 . 0 0 "[ . 1]" 1
698 1 71 VAL QG 1 91 ILE MG 0.000 . 9.500 4.967 4.481 5.212 . 0 0 "[ . 1]" 1
699 1 41 LYS HA 1 92 ALA HA 0.000 . 3.500 3.379 2.935 3.596 0.096 10 0 "[ . 1]" 1
700 1 92 ALA HA 1 93 PRO QD 0.000 . 3.500 1.992 1.933 2.059 . 0 0 "[ . 1]" 1
701 1 90 VAL QG 1 92 ALA HA 0.000 . 8.000 4.404 4.053 4.643 . 0 0 "[ . 1]" 1
702 1 92 ALA MB 1 93 PRO QD 0.000 . 5.500 2.179 1.936 2.548 . 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 78
_Distance_constraint_stats_list.Viol_count 206
_Distance_constraint_stats_list.Viol_total 104.877
_Distance_constraint_stats_list.Viol_max 0.366
_Distance_constraint_stats_list.Viol_rms 0.0344
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0134
_Distance_constraint_stats_list.Viol_average_violations_only 0.0509
_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 LYS 0.148 0.036 1 0 "[ . 1]"
1 14 ILE 0.403 0.102 9 0 "[ . 1]"
1 16 PHE 0.500 0.116 6 0 "[ . 1]"
1 22 GLU 0.108 0.034 9 0 "[ . 1]"
1 23 GLY 0.139 0.051 7 0 "[ . 1]"
1 24 ASP 0.280 0.075 6 0 "[ . 1]"
1 25 TYR 0.290 0.054 7 0 "[ . 1]"
1 26 GLN 0.136 0.034 9 0 "[ . 1]"
1 27 VAL 0.139 0.051 7 0 "[ . 1]"
1 28 LYS 0.280 0.075 6 0 "[ . 1]"
1 29 LEU 0.290 0.054 7 0 "[ . 1]"
1 30 ARG 0.028 0.027 4 0 "[ . 1]"
1 31 ASN 0.000 0.000 . 0 "[ . 1]"
1 32 LEU 0.650 0.104 1 0 "[ . 1]"
1 33 VAL 0.260 0.069 5 0 "[ . 1]"
1 34 ARG 0.327 0.179 8 0 "[ . 1]"
1 35 PHE 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 0.650 0.104 1 0 "[ . 1]"
1 37 SER 0.260 0.069 5 0 "[ . 1]"
1 38 GLU 0.327 0.179 8 0 "[ . 1]"
1 41 LYS 0.073 0.024 1 0 "[ . 1]"
1 42 ALA 0.579 0.143 5 0 "[ . 1]"
1 43 LYS 0.076 0.036 1 0 "[ . 1]"
1 44 VAL 0.000 0.000 . 0 "[ . 1]"
1 45 SER 0.441 0.102 9 0 "[ . 1]"
1 46 LEU 0.368 0.109 2 0 "[ . 1]"
1 47 ARG 0.462 0.116 6 0 "[ . 1]"
1 53 MET 0.392 0.109 7 0 "[ . 1]"
1 54 ALA 0.075 0.043 8 0 "[ . 1]"
1 55 HIS 0.006 0.006 2 0 "[ . 1]"
1 56 GLN 0.004 0.004 1 0 "[ . 1]"
1 57 GLU 0.427 0.109 7 0 "[ . 1]"
1 58 LEU 0.113 0.043 8 0 "[ . 1]"
1 59 GLY 0.612 0.062 2 0 "[ . 1]"
1 60 MET 0.114 0.036 1 0 "[ . 1]"
1 61 GLU 0.592 0.081 7 0 "[ . 1]"
1 62 LEU 0.038 0.021 7 0 "[ . 1]"
1 63 LEU 0.606 0.062 2 0 "[ . 1]"
1 64 LYS 1.092 0.112 7 0 "[ . 1]"
1 65 ARG 0.631 0.081 7 0 "[ . 1]"
1 66 VAL 0.544 0.136 3 0 "[ . 1]"
1 67 GLU 0.000 0.000 . 0 "[ . 1]"
1 68 ALA 3.075 0.366 9 0 "[ . 1]"
1 69 ASP 0.073 0.060 8 0 "[ . 1]"
1 70 LEU 0.544 0.136 3 0 "[ . 1]"
1 71 VAL 0.000 0.000 . 0 "[ . 1]"
1 72 GLU 2.094 0.366 9 0 "[ . 1]"
1 75 THR 0.070 0.052 5 0 "[ . 1]"
1 78 GLN 0.663 0.092 3 0 "[ . 1]"
1 81 LYS 0.059 0.059 4 0 "[ . 1]"
1 83 GLU 0.101 0.051 5 0 "[ . 1]"
1 86 GLN 0.101 0.051 5 0 "[ . 1]"
1 87 LEU 0.368 0.109 2 0 "[ . 1]"
1 88 MET 0.059 0.059 4 0 "[ . 1]"
1 89 MET 0.000 0.000 . 0 "[ . 1]"
1 90 VAL 0.663 0.092 3 0 "[ . 1]"
1 91 ILE 0.579 0.143 5 0 "[ . 1]"
1 92 ALA 0.070 0.052 5 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 1 22 GLU O 1 26 GLN N 0.000 . 3.300 3.016 2.724 3.149 . 0 0 "[ . 1]" 2
2 1 22 GLU O 1 26 GLN H 0.000 . 2.300 2.221 1.908 2.334 0.034 9 0 "[ . 1]" 2
3 1 23 GLY O 1 27 VAL N 0.000 . 3.300 3.169 2.943 3.334 0.034 7 0 "[ . 1]" 2
4 1 23 GLY O 1 27 VAL H 0.000 . 2.300 2.209 1.984 2.351 0.051 7 0 "[ . 1]" 2
5 1 24 ASP O 1 28 LYS N 0.000 . 3.300 3.185 2.835 3.294 . 0 0 "[ . 1]" 2
6 1 24 ASP O 1 28 LYS H 0.000 . 2.300 2.268 1.863 2.375 0.075 6 0 "[ . 1]" 2
7 1 25 TYR O 1 29 LEU N 0.000 . 3.300 3.248 3.162 3.314 0.014 7 0 "[ . 1]" 2
8 1 25 TYR O 1 29 LEU H 0.000 . 2.300 2.321 2.247 2.354 0.054 7 0 "[ . 1]" 2
9 1 26 GLN O 1 30 ARG N 0.000 . 3.300 2.981 2.603 3.250 . 0 0 "[ . 1]" 2
10 1 26 GLN O 1 30 ARG H 0.000 . 2.300 2.100 1.760 2.327 0.027 4 0 "[ . 1]" 2
11 1 27 VAL O 1 31 ASN N 0.000 . 3.300 2.988 2.909 3.115 . 0 0 "[ . 1]" 2
12 1 27 VAL O 1 31 ASN H 0.000 . 2.300 2.053 1.956 2.196 . 0 0 "[ . 1]" 2
13 1 28 LYS O 1 32 LEU N 0.000 . 3.300 3.050 2.946 3.169 . 0 0 "[ . 1]" 2
14 1 28 LYS O 1 32 LEU H 0.000 . 2.300 2.128 2.028 2.265 . 0 0 "[ . 1]" 2
15 1 29 LEU O 1 33 VAL N 0.000 . 3.300 2.996 2.870 3.201 . 0 0 "[ . 1]" 2
16 1 29 LEU O 1 33 VAL H 0.000 . 2.300 2.067 1.903 2.288 . 0 0 "[ . 1]" 2
17 1 30 ARG O 1 34 ARG N 0.000 . 3.300 2.716 2.527 2.923 . 0 0 "[ . 1]" 2
18 1 30 ARG O 1 34 ARG H 0.000 . 2.300 1.786 1.572 2.027 . 0 0 "[ . 1]" 2
19 1 31 ASN O 1 35 PHE N 0.000 . 3.300 2.714 2.518 3.106 . 0 0 "[ . 1]" 2
20 1 31 ASN O 1 35 PHE H 0.000 . 2.300 1.785 1.562 2.213 . 0 0 "[ . 1]" 2
21 1 32 LEU O 1 36 LEU N 0.000 . 3.300 3.259 3.101 3.308 0.008 8 0 "[ . 1]" 2
22 1 32 LEU O 1 36 LEU H 0.000 . 2.300 2.364 2.334 2.404 0.104 1 0 "[ . 1]" 2
23 1 33 VAL O 1 37 SER N 0.000 . 3.300 3.144 2.707 3.304 0.004 6 0 "[ . 1]" 2
24 1 33 VAL O 1 37 SER H 0.000 . 2.300 2.229 1.754 2.369 0.069 5 0 "[ . 1]" 2
25 1 34 ARG O 1 38 GLU N 0.000 . 3.300 3.168 2.994 3.308 0.008 10 0 "[ . 1]" 2
26 1 34 ARG O 1 38 GLU H 0.000 . 2.300 2.275 2.045 2.479 0.179 8 0 "[ . 1]" 2
27 1 53 MET O 1 57 GLU N 0.000 . 3.300 3.246 2.914 3.329 0.029 4 0 "[ . 1]" 2
28 1 53 MET O 1 57 GLU H 0.000 . 2.300 2.295 1.987 2.409 0.109 7 0 "[ . 1]" 2
29 1 54 ALA O 1 58 LEU N 0.000 . 3.300 3.064 2.556 3.303 0.003 8 0 "[ . 1]" 2
30 1 54 ALA O 1 58 LEU H 0.000 . 2.300 2.113 1.614 2.343 0.043 8 0 "[ . 1]" 2
31 1 55 HIS O 1 59 GLY N 0.000 . 3.300 2.574 2.432 2.873 . 0 0 "[ . 1]" 2
32 1 55 HIS O 1 59 GLY H 0.000 . 2.300 1.762 1.565 2.306 0.006 2 0 "[ . 1]" 2
33 1 56 GLN O 1 60 MET N 0.000 . 3.300 2.913 2.544 3.184 . 0 0 "[ . 1]" 2
34 1 56 GLN O 1 60 MET H 0.000 . 2.300 2.034 1.692 2.304 0.004 1 0 "[ . 1]" 2
35 1 57 GLU O 1 61 GLU N 0.000 . 3.300 3.048 2.896 3.297 . 0 0 "[ . 1]" 2
36 1 57 GLU O 1 61 GLU H 0.000 . 2.300 2.113 1.927 2.335 0.035 1 0 "[ . 1]" 2
37 1 58 LEU O 1 62 LEU N 0.000 . 3.300 3.000 2.628 3.253 . 0 0 "[ . 1]" 2
38 1 58 LEU O 1 62 LEU H 0.000 . 2.300 2.140 1.694 2.321 0.021 7 0 "[ . 1]" 2
39 1 59 GLY O 1 63 LEU N 0.000 . 3.300 3.312 3.277 3.338 0.038 1 0 "[ . 1]" 2
40 1 59 GLY O 1 63 LEU H 0.000 . 2.300 2.345 2.321 2.362 0.062 2 0 "[ . 1]" 2
41 1 60 MET O 1 64 LYS N 0.000 . 3.300 3.082 2.725 3.307 0.007 1 0 "[ . 1]" 2
42 1 60 MET O 1 64 LYS H 0.000 . 2.300 2.213 1.884 2.336 0.036 1 0 "[ . 1]" 2
43 1 61 GLU O 1 65 ARG N 0.000 . 3.300 3.271 3.086 3.359 0.059 7 0 "[ . 1]" 2
44 1 61 GLU O 1 65 ARG H 0.000 . 2.300 2.341 2.217 2.381 0.081 7 0 "[ . 1]" 2
45 1 62 LEU O 1 66 VAL N 0.000 . 3.300 2.947 2.649 3.245 . 0 0 "[ . 1]" 2
46 1 62 LEU O 1 66 VAL H 0.000 . 2.300 1.983 1.671 2.299 . 0 0 "[ . 1]" 2
47 1 63 LEU O 1 67 GLU N 0.000 . 3.300 2.722 2.441 3.054 . 0 0 "[ . 1]" 2
48 1 63 LEU O 1 67 GLU H 0.000 . 2.300 1.823 1.540 2.169 . 0 0 "[ . 1]" 2
49 1 64 LYS O 1 68 ALA N 0.000 . 3.300 3.288 3.220 3.355 0.055 7 0 "[ . 1]" 2
50 1 64 LYS O 1 68 ALA H 0.000 . 2.300 2.380 2.345 2.412 0.112 7 0 "[ . 1]" 2
51 1 65 ARG O 1 69 ASP N 0.000 . 3.300 3.153 2.989 3.300 . 0 0 "[ . 1]" 2
52 1 65 ARG O 1 69 ASP H 0.000 . 2.300 2.185 2.025 2.360 0.060 8 0 "[ . 1]" 2
53 1 66 VAL O 1 70 LEU N 0.000 . 3.300 3.015 2.811 3.216 . 0 0 "[ . 1]" 2
54 1 66 VAL O 1 70 LEU H 0.000 . 2.300 2.307 2.067 2.436 0.136 3 0 "[ . 1]" 2
55 1 67 GLU O 1 71 VAL N 0.000 . 3.300 2.788 2.487 3.042 . 0 0 "[ . 1]" 2
56 1 67 GLU O 1 71 VAL H 0.000 . 2.300 1.969 1.639 2.279 . 0 0 "[ . 1]" 2
57 1 68 ALA O 1 72 GLU N 0.000 . 3.300 3.508 3.388 3.666 0.366 9 0 "[ . 1]" 2
58 1 68 ALA O 1 72 GLU H 0.000 . 2.800 2.673 2.559 2.810 0.010 9 0 "[ . 1]" 2
59 1 12 LYS O 1 43 LYS H 0.000 . 2.300 2.188 1.745 2.336 0.036 1 0 "[ . 1]" 2
60 1 12 LYS H 1 41 LYS O 0.000 . 2.300 2.202 1.658 2.324 0.024 1 0 "[ . 1]" 2
61 1 14 ILE O 1 45 SER H 0.000 . 2.300 2.339 2.288 2.402 0.102 9 0 "[ . 1]" 2
62 1 14 ILE H 1 43 LYS O 0.000 . 2.300 2.133 2.024 2.243 . 0 0 "[ . 1]" 2
63 1 16 PHE O 1 47 ARG H 0.000 . 2.800 2.777 2.491 2.916 0.116 6 0 "[ . 1]" 2
64 1 16 PHE H 1 45 SER O 0.000 . 2.300 2.189 2.088 2.332 0.032 2 0 "[ . 1]" 2
65 1 42 ALA O 1 91 ILE H 0.000 . 2.300 1.978 1.877 2.223 . 0 0 "[ . 1]" 2
66 1 42 ALA H 1 91 ILE O 0.000 . 2.300 2.349 2.236 2.443 0.143 5 0 "[ . 1]" 2
67 1 44 VAL O 1 89 MET H 0.000 . 2.300 2.032 1.733 2.299 . 0 0 "[ . 1]" 2
68 1 44 VAL H 1 89 MET O 0.000 . 2.300 2.010 1.746 2.292 . 0 0 "[ . 1]" 2
69 1 46 LEU O 1 87 LEU H 0.000 . 2.300 2.316 2.199 2.409 0.109 2 0 "[ . 1]" 2
70 1 46 LEU H 1 87 LEU O 0.000 . 2.300 1.933 1.648 2.142 . 0 0 "[ . 1]" 2
71 1 83 GLU O 1 86 GLN H 0.000 . 2.300 2.137 1.881 2.351 0.051 5 0 "[ . 1]" 2
72 1 83 GLU H 1 86 GLN O 0.000 . 3.000 2.508 2.346 2.625 . 0 0 "[ . 1]" 2
73 1 81 LYS H 1 88 MET O 0.000 . 3.000 2.779 2.165 3.059 0.059 4 0 "[ . 1]" 2
74 1 81 LYS O 1 88 MET H 0.000 . 3.300 2.996 2.700 3.240 . 0 0 "[ . 1]" 2
75 1 78 GLN H 1 90 VAL O 0.000 . 2.800 2.819 2.764 2.872 0.072 10 0 "[ . 1]" 2
76 1 78 GLN O 1 90 VAL H 0.000 . 2.800 2.828 2.698 2.892 0.092 3 0 "[ . 1]" 2
77 1 75 THR H 1 92 ALA O 0.000 . 2.300 2.132 1.807 2.352 0.052 5 0 "[ . 1]" 2
78 1 75 THR O 1 92 ALA H 0.000 . 2.300 1.716 1.557 2.007 . 0 0 "[ . 1]" 2
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