NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412649 |
2bbu   |
6580 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2bbu
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 475
_Distance_constraint_stats_list.Viol_count 633
_Distance_constraint_stats_list.Viol_total 373.197
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0102
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0295
_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 9 GLU 0.003 0.003 17 0 "[ . 1 . 2]"
1 10 TYR 0.066 0.015 10 0 "[ . 1 . 2]"
1 11 GLN 0.026 0.015 10 0 "[ . 1 . 2]"
1 12 LEU 0.062 0.026 6 0 "[ . 1 . 2]"
1 13 VAL 0.285 0.035 3 0 "[ . 1 . 2]"
1 14 VAL 0.626 0.061 6 0 "[ . 1 . 2]"
1 15 ASN 0.012 0.005 9 0 "[ . 1 . 2]"
1 16 ALA 1.619 0.131 12 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 1.619 0.131 12 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.044 0.044 2 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.018 0.012 18 0 "[ . 1 . 2]"
1 23 SER 0.003 0.003 20 0 "[ . 1 . 2]"
1 24 GLY 0.002 0.002 3 0 "[ . 1 . 2]"
1 25 PHE 0.058 0.028 3 0 "[ . 1 . 2]"
1 26 TYR 0.057 0.028 3 0 "[ . 1 . 2]"
1 27 TRP 0.126 0.045 13 0 "[ . 1 . 2]"
1 28 SER 1.184 0.073 8 0 "[ . 1 . 2]"
1 29 ALA 1.183 0.073 8 0 "[ . 1 . 2]"
1 30 VAL 2.217 0.204 20 0 "[ . 1 . 2]"
1 31 THR 0.544 0.055 14 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 1.151 0.078 19 0 "[ . 1 . 2]"
1 34 GLU 1.120 0.107 11 0 "[ . 1 . 2]"
1 35 ALA 0.258 0.049 13 0 "[ . 1 . 2]"
1 36 ASN 2.356 0.107 11 0 "[ . 1 . 2]"
1 37 LEU 1.302 0.105 18 0 "[ . 1 . 2]"
1 38 LEU 1.529 0.083 3 0 "[ . 1 . 2]"
1 39 LEU 0.590 0.063 16 0 "[ . 1 . 2]"
1 40 SER 0.035 0.030 19 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 1.122 0.083 3 0 "[ . 1 . 2]"
1 44 ALA 0.786 0.061 12 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 1.117 0.061 12 0 "[ . 1 . 2]"
1 47 PHE 0.280 0.029 16 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.361 0.049 13 0 "[ . 1 . 2]"
1 50 ARG 0.880 0.051 5 0 "[ . 1 . 2]"
1 51 ASP 0.023 0.013 8 0 "[ . 1 . 2]"
1 52 SER 0.023 0.013 8 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.022 0.014 6 0 "[ . 1 . 2]"
1 55 GLN 0.047 0.013 20 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 HIS 0.072 0.018 16 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 0.722 0.061 6 0 "[ . 1 . 2]"
1 60 THR 0.510 0.055 13 0 "[ . 1 . 2]"
1 61 LEU 0.308 0.053 17 0 "[ . 1 . 2]"
1 62 SER 0.310 0.047 13 0 "[ . 1 . 2]"
1 63 VAL 1.284 0.105 18 0 "[ . 1 . 2]"
1 64 LYS 0.299 0.032 19 0 "[ . 1 . 2]"
1 65 THR 0.026 0.021 19 0 "[ . 1 . 2]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.004 0.004 11 0 "[ . 1 . 2]"
1 71 ASN 0.140 0.078 11 0 "[ . 1 . 2]"
1 72 LEU 0.135 0.028 2 0 "[ . 1 . 2]"
1 73 ARG 0.013 0.013 12 0 "[ . 1 . 2]"
1 74 ILE 0.109 0.037 1 0 "[ . 1 . 2]"
1 75 GLN 0.007 0.007 8 0 "[ . 1 . 2]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.029 0.011 3 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 SER 0.034 0.023 13 0 "[ . 1 . 2]"
1 81 PHE 0.649 0.072 3 0 "[ . 1 . 2]"
1 82 SER 0.109 0.037 1 0 "[ . 1 . 2]"
1 83 LEU 0.458 0.055 6 0 "[ . 1 . 2]"
1 84 GLN 0.049 0.017 12 0 "[ . 1 . 2]"
1 85 SER 0.037 0.024 12 0 "[ . 1 . 2]"
1 86 ASP 0.013 0.003 20 0 "[ . 1 . 2]"
1 88 ARG 0.013 0.003 20 0 "[ . 1 . 2]"
1 89 SER 0.033 0.017 16 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLN 0.033 0.017 16 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.163 0.053 10 0 "[ . 1 . 2]"
1 96 PHE 0.644 0.072 3 0 "[ . 1 . 2]"
1 97 ASP 0.727 0.061 7 0 "[ . 1 . 2]"
1 98 CYS 0.605 0.061 7 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TYR 0.366 0.070 19 0 "[ . 1 . 2]"
1 107 MET 0.366 0.070 19 0 "[ . 1 . 2]"
1 123 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 TYR 0.104 0.104 20 0 "[ . 1 . 2]"
1 146 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 TYR 1.594 0.123 7 0 "[ . 1 . 2]"
1 148 SER 1.331 0.123 7 0 "[ . 1 . 2]"
1 151 GLU 0.067 0.029 15 0 "[ . 1 . 2]"
1 152 LYS 0.308 0.061 4 0 "[ . 1 . 2]"
1 153 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 LEU 0.418 0.093 11 0 "[ . 1 . 2]"
1 156 VAL 0.418 0.093 11 0 "[ . 1 . 2]"
1 157 LEU 0.125 0.055 6 0 "[ . 1 . 2]"
1 158 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 ARG 0.314 0.039 9 0 "[ . 1 . 2]"
1 160 PRO 0.204 0.029 16 0 "[ . 1 . 2]"
1 161 LEU 0.007 0.005 3 0 "[ . 1 . 2]"
1 162 SER 0.000 0.000 . 0 "[ . 1 . 2]"
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 1 151 GLU HA 1 152 LYS H 0.000 . 3.200 2.209 2.200 2.220 . 0 0 "[ . 1 . 2]" 1
2 1 40 SER H 1 40 SER HA 0.000 . 2.948 2.887 2.882 2.891 . 0 0 "[ . 1 . 2]" 1
3 1 41 ALA H 1 41 ALA MB 0.000 . 3.003 2.063 1.942 2.172 . 0 0 "[ . 1 . 2]" 1
4 1 147 TYR HA 1 148 SER H 0.000 . 3.124 2.201 2.175 2.237 . 0 0 "[ . 1 . 2]" 1
5 1 123 SER H 1 123 SER HA 0.000 . 3.146 2.807 2.364 3.003 . 0 0 "[ . 1 . 2]" 1
6 1 142 ARG HA 1 143 ALA H 0.000 . 3.157 2.390 2.209 3.002 . 0 0 "[ . 1 . 2]" 1
7 1 84 GLN HA 1 85 SER H 0.000 . 3.168 2.714 2.211 3.179 0.011 5 0 "[ . 1 . 2]" 1
8 1 94 PRO HA 1 95 ARG H 0.000 . 3.190 2.244 2.216 2.346 . 0 0 "[ . 1 . 2]" 1
9 1 31 THR H 1 31 THR HG1 0.000 . 3.223 2.621 1.848 3.145 . 0 0 "[ . 1 . 2]" 1
10 1 40 SER H 1 40 SER QB 0.000 . 3.256 2.340 1.933 2.851 . 0 0 "[ . 1 . 2]" 1
11 1 29 ALA H 1 29 ALA MB 0.000 . 3.322 2.644 1.955 2.940 . 0 0 "[ . 1 . 2]" 1
12 1 143 ALA HA 1 144 TYR H 0.000 . 3.333 2.332 2.219 2.568 . 0 0 "[ . 1 . 2]" 1
13 1 27 TRP HA 1 28 SER H 0.000 . 3.344 2.285 2.240 2.319 . 0 0 "[ . 1 . 2]" 1
14 1 37 LEU H 1 37 LEU HB2 0.000 . 3.355 2.037 1.962 2.441 . 0 0 "[ . 1 . 2]" 1
15 1 76 CYS HA 1 77 GLU H 0.000 . 3.355 2.221 2.208 2.252 . 0 0 "[ . 1 . 2]" 1
16 1 154 PRO HA 1 155 LEU H 0.000 . 3.355 2.176 2.143 2.219 . 0 0 "[ . 1 . 2]" 1
17 1 44 ALA H 1 44 ALA MB 0.000 . 3.388 2.031 1.912 2.162 . 0 0 "[ . 1 . 2]" 1
18 1 30 VAL H 1 30 VAL MG1 0.000 . 3.388 3.292 2.322 3.592 0.204 20 0 "[ . 1 . 2]" 1
19 1 14 VAL H 1 14 VAL QG 0.000 . 3.410 2.210 1.921 2.690 . 0 0 "[ . 1 . 2]" 1
20 1 28 SER HA 1 29 ALA H 0.000 . 3.410 2.923 2.209 3.483 0.073 8 0 "[ . 1 . 2]" 1
21 1 54 ASP HA 1 55 GLN H 0.000 . 3.432 2.777 2.233 3.440 0.008 6 0 "[ . 1 . 2]" 1
22 1 16 ALA H 1 16 ALA MB 0.000 . 3.443 2.091 1.928 2.150 . 0 0 "[ . 1 . 2]" 1
23 1 81 PHE HA 1 82 SER H 0.000 . 3.465 2.275 2.221 2.377 . 0 0 "[ . 1 . 2]" 1
24 1 41 ALA H 1 42 GLU H 0.000 . 3.476 2.457 2.415 2.500 . 0 0 "[ . 1 . 2]" 1
25 1 30 VAL H 1 30 VAL HB 0.000 . 3.498 3.301 2.703 3.520 0.022 11 0 "[ . 1 . 2]" 1
26 1 29 ALA HA 1 30 VAL H 0.000 . 3.509 3.066 2.324 3.538 0.029 5 0 "[ . 1 . 2]" 1
27 1 152 LYS HA 1 153 ILE H 0.000 . 3.520 2.223 2.201 2.242 . 0 0 "[ . 1 . 2]" 1
28 1 14 VAL H 1 14 VAL HB 0.000 . 3.531 2.310 2.028 2.576 . 0 0 "[ . 1 . 2]" 1
29 1 34 GLU H 1 34 GLU QB 0.000 . 3.542 2.166 1.931 2.534 . 0 0 "[ . 1 . 2]" 1
30 1 160 PRO HA 1 161 LEU H 0.000 . 3.553 2.275 2.221 2.305 . 0 0 "[ . 1 . 2]" 1
31 1 161 LEU QD 1 162 SER H 0.000 . 3.553 2.467 1.715 3.372 . 0 0 "[ . 1 . 2]" 1
32 1 96 PHE HA 1 97 ASP H 0.000 . 3.553 2.642 2.199 2.996 . 0 0 "[ . 1 . 2]" 1
33 1 79 GLY H 1 80 SER H 0.000 . 3.575 2.394 1.819 2.767 . 0 0 "[ . 1 . 2]" 1
34 1 37 LEU H 1 37 LEU HB3 0.000 . 3.586 3.389 3.325 3.506 . 0 0 "[ . 1 . 2]" 1
35 1 31 THR HA 1 32 GLY H 0.000 . 3.597 2.513 2.450 2.568 . 0 0 "[ . 1 . 2]" 1
36 1 155 LEU HA 1 156 VAL H 0.000 . 3.597 2.280 2.227 2.318 . 0 0 "[ . 1 . 2]" 1
37 1 40 SER HA 1 41 ALA H 0.000 . 4.597 3.542 3.536 3.548 . 0 0 "[ . 1 . 2]" 1
38 1 143 ALA H 1 143 ALA MB 0.000 . 3.608 2.846 2.625 2.930 . 0 0 "[ . 1 . 2]" 1
39 1 37 LEU HA 1 40 SER H 0.000 . 3.608 3.188 2.971 3.469 . 0 0 "[ . 1 . 2]" 1
40 1 39 LEU H 1 40 SER H 0.000 . 3.619 2.519 2.349 2.654 . 0 0 "[ . 1 . 2]" 1
41 1 31 THR H 1 34 GLU QB 0.000 . 3.619 2.284 1.956 2.578 . 0 0 "[ . 1 . 2]" 1
42 1 88 ARG HA 1 89 SER H 0.000 . 3.619 3.347 3.119 3.587 . 0 0 "[ . 1 . 2]" 1
43 1 13 VAL H 1 13 VAL HB 0.000 . 3.630 2.470 1.930 3.539 . 0 0 "[ . 1 . 2]" 1
44 1 146 ILE HA 1 147 TYR H 0.000 . 3.630 2.254 2.145 2.302 . 0 0 "[ . 1 . 2]" 1
45 1 11 GLN H 1 11 GLN QB 0.000 . 3.641 2.085 1.935 2.469 . 0 0 "[ . 1 . 2]" 1
46 1 36 ASN H 1 36 ASN HB3 0.000 . 3.641 3.092 1.988 3.530 . 0 0 "[ . 1 . 2]" 1
47 1 55 GLN H 1 55 GLN QB 0.000 . 3.641 2.276 1.936 2.643 . 0 0 "[ . 1 . 2]" 1
48 1 46 THR HA 1 47 PHE H 0.000 . 3.500 2.300 2.279 2.323 . 0 0 "[ . 1 . 2]" 1
49 1 61 LEU HA 1 62 SER H 0.000 . 3.652 2.230 2.189 2.327 . 0 0 "[ . 1 . 2]" 1
50 1 85 SER H 1 85 SER HB3 0.000 . 3.663 3.109 2.388 3.687 0.024 12 0 "[ . 1 . 2]" 1
51 1 22 GLU H 1 22 GLU QB 0.000 . 3.674 2.018 1.920 2.243 . 0 0 "[ . 1 . 2]" 1
52 1 54 ASP H 1 54 ASP QB 0.000 . 3.674 2.509 1.964 3.289 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL H 1 13 VAL QG 0.000 . 3.674 2.256 1.684 2.867 . 0 0 "[ . 1 . 2]" 1
54 1 30 VAL H 1 30 VAL MG2 0.000 . 3.674 1.743 1.639 1.845 . 0 0 "[ . 1 . 2]" 1
55 1 56 ARG H 1 57 HIS H 0.000 . 3.685 2.544 1.875 3.286 . 0 0 "[ . 1 . 2]" 1
56 1 42 GLU H 1 42 GLU QG 0.000 . 3.696 3.358 3.268 3.698 0.002 2 0 "[ . 1 . 2]" 1
57 1 44 ALA HA 1 45 GLY H 0.000 . 3.707 2.255 2.233 2.267 . 0 0 "[ . 1 . 2]" 1
58 1 25 PHE H 1 26 TYR H 0.000 . 3.707 2.313 1.847 3.735 0.028 3 0 "[ . 1 . 2]" 1
59 1 12 LEU H 1 12 LEU QB 0.000 . 3.707 2.309 1.963 2.463 . 0 0 "[ . 1 . 2]" 1
60 1 80 SER H 1 80 SER HB2 0.000 . 3.707 3.250 2.125 3.730 0.023 13 0 "[ . 1 . 2]" 1
61 1 85 SER HA 1 86 ASP H 0.000 . 3.707 2.758 2.209 3.583 . 0 0 "[ . 1 . 2]" 1
62 1 72 LEU HA 1 73 ARG H 0.000 . 3.718 2.277 2.204 2.338 . 0 0 "[ . 1 . 2]" 1
63 1 41 ALA HA 1 42 GLU H 0.000 . 3.718 3.491 3.483 3.499 . 0 0 "[ . 1 . 2]" 1
64 1 35 ALA MB 1 36 ASN H 0.000 . 3.729 2.334 2.207 2.476 . 0 0 "[ . 1 . 2]" 1
65 1 46 THR H 1 46 THR HB 0.000 . 3.729 2.922 2.441 3.731 0.002 12 0 "[ . 1 . 2]" 1
66 1 29 ALA MB 1 30 VAL H 0.000 . 4.729 3.352 2.777 3.742 . 0 0 "[ . 1 . 2]" 1
67 1 47 PHE H 1 159 ARG QB 0.000 . 3.740 3.446 2.811 3.753 0.013 20 0 "[ . 1 . 2]" 1
68 1 37 LEU H 1 37 LEU QD 0.000 . 3.740 2.152 1.832 2.813 . 0 0 "[ . 1 . 2]" 1
69 1 29 ALA H 1 30 VAL H 0.000 . 3.751 2.338 1.650 3.378 . 0 0 "[ . 1 . 2]" 1
70 1 156 VAL HA 1 157 LEU H 0.000 . 3.751 2.210 2.195 2.227 . 0 0 "[ . 1 . 2]" 1
71 1 38 LEU H 1 38 LEU HG 0.000 . 3.762 2.927 2.348 3.793 0.031 18 0 "[ . 1 . 2]" 1
72 1 71 ASN HA 1 72 LEU H 0.000 . 3.762 2.281 2.200 2.364 . 0 0 "[ . 1 . 2]" 1
73 1 156 VAL H 1 156 VAL QG 0.000 . 3.762 1.940 1.772 2.512 . 0 0 "[ . 1 . 2]" 1
74 1 13 VAL H 1 14 VAL H 0.000 . 3.773 2.703 2.587 2.792 . 0 0 "[ . 1 . 2]" 1
75 1 49 ILE HA 1 50 ARG H 0.000 . 3.784 2.236 2.194 2.294 . 0 0 "[ . 1 . 2]" 1
76 1 88 ARG H 1 89 SER H 0.000 . 3.784 2.708 2.403 2.869 . 0 0 "[ . 1 . 2]" 1
77 1 90 THR H 1 91 GLN H 0.000 . 3.784 2.730 2.002 3.658 . 0 0 "[ . 1 . 2]" 1
78 1 144 TYR HA 1 145 TYR H 0.000 . 3.784 2.243 2.188 2.508 . 0 0 "[ . 1 . 2]" 1
79 1 36 ASN H 1 37 LEU H 0.000 . 3.795 2.652 2.602 2.695 . 0 0 "[ . 1 . 2]" 1
80 1 39 LEU H 1 39 LEU QD 0.000 . 3.795 2.788 1.798 3.038 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR H 1 10 TYR QB 0.000 . 3.795 2.192 1.976 2.350 . 0 0 "[ . 1 . 2]" 1
82 1 88 ARG H 1 88 ARG HB3 0.000 . 3.795 2.966 2.271 3.569 . 0 0 "[ . 1 . 2]" 1
83 1 40 SER H 1 41 ALA H 0.000 . 3.806 2.573 2.553 2.599 . 0 0 "[ . 1 . 2]" 1
84 1 106 TYR H 1 107 MET H 0.000 . 3.806 2.602 2.426 2.756 . 0 0 "[ . 1 . 2]" 1
85 1 15 ASN H 1 16 ALA H 0.000 . 3.817 2.685 2.529 2.780 . 0 0 "[ . 1 . 2]" 1
86 1 85 SER H 1 85 SER QB 0.000 . 3.828 2.656 2.062 3.376 . 0 0 "[ . 1 . 2]" 1
87 1 41 ALA MB 1 42 GLU H 0.000 . 3.828 2.898 2.846 2.964 . 0 0 "[ . 1 . 2]" 1
88 1 77 GLU H 1 80 SER H 0.000 . 3.839 2.912 2.499 3.349 . 0 0 "[ . 1 . 2]" 1
89 1 88 ARG H 1 88 ARG HB2 0.000 . 3.839 2.370 1.953 3.586 . 0 0 "[ . 1 . 2]" 1
90 1 44 ALA MB 1 45 GLY H 0.000 . 3.850 3.038 2.973 3.160 . 0 0 "[ . 1 . 2]" 1
91 1 72 LEU H 1 72 LEU HG 0.000 . 3.850 3.356 2.276 3.878 0.028 2 0 "[ . 1 . 2]" 1
92 1 18 ARG H 1 18 ARG QB 0.000 . 3.850 2.061 1.926 2.324 . 0 0 "[ . 1 . 2]" 1
93 1 95 ARG HA 1 96 PHE H 0.000 . 3.850 3.051 2.372 3.579 . 0 0 "[ . 1 . 2]" 1
94 1 22 GLU H 1 22 GLU QG 0.000 . 3.861 3.443 2.240 3.873 0.012 18 0 "[ . 1 . 2]" 1
95 1 63 VAL H 1 63 VAL QG 0.000 . 3.861 2.070 1.821 2.433 . 0 0 "[ . 1 . 2]" 1
96 1 59 PHE HA 1 60 THR H 0.000 . 3.500 2.293 2.224 2.377 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLN H 1 12 LEU H 0.000 . 3.883 2.733 2.592 2.826 . 0 0 "[ . 1 . 2]" 1
98 1 46 THR HG1 1 47 PHE H 0.000 . 3.883 2.537 1.980 3.629 . 0 0 "[ . 1 . 2]" 1
99 1 63 VAL QG 1 64 LYS H 0.000 . 3.883 2.305 1.748 3.170 . 0 0 "[ . 1 . 2]" 1
100 1 19 LYS H 1 19 LYS QB 0.000 . 3.894 2.122 1.936 2.430 . 0 0 "[ . 1 . 2]" 1
101 1 62 SER HA 1 63 VAL H 0.000 . 3.894 2.345 2.326 2.354 . 0 0 "[ . 1 . 2]" 1
102 1 90 THR H 1 90 THR HG1 0.000 . 3.894 2.621 1.840 3.463 . 0 0 "[ . 1 . 2]" 1
103 1 145 TYR HA 1 146 ILE H 0.000 . 3.894 2.426 2.191 2.471 . 0 0 "[ . 1 . 2]" 1
104 1 49 ILE MG 1 50 ARG H 0.000 . 3.905 3.347 2.765 3.673 . 0 0 "[ . 1 . 2]" 1
105 1 79 GLY QA 1 80 SER H 0.000 . 3.905 2.854 2.691 2.936 . 0 0 "[ . 1 . 2]" 1
106 1 12 LEU H 1 13 VAL H 0.000 . 3.916 2.754 2.674 2.860 . 0 0 "[ . 1 . 2]" 1
107 1 28 SER H 1 28 SER QB 0.000 . 3.916 2.608 1.937 3.271 . 0 0 "[ . 1 . 2]" 1
108 1 67 SER H 1 68 GLY H 0.000 . 3.916 2.348 1.749 3.159 . 0 0 "[ . 1 . 2]" 1
109 1 35 ALA H 1 36 ASN H 0.000 . 3.927 2.636 2.518 2.794 . 0 0 "[ . 1 . 2]" 1
110 1 24 GLY H 1 25 PHE H 0.000 . 3.927 2.322 2.043 3.730 . 0 0 "[ . 1 . 2]" 1
111 1 155 LEU H 1 155 LEU QB 0.000 . 3.927 2.554 2.325 3.060 . 0 0 "[ . 1 . 2]" 1
112 1 80 SER H 1 80 SER HB3 0.000 . 3.938 3.228 2.507 3.759 . 0 0 "[ . 1 . 2]" 1
113 1 39 LEU HA 1 42 GLU H 0.000 . 3.938 3.430 3.325 3.567 . 0 0 "[ . 1 . 2]" 1
114 1 63 VAL HA 1 64 LYS H 0.000 . 3.949 2.516 2.377 2.538 . 0 0 "[ . 1 . 2]" 1
115 1 105 HIS H 1 105 HIS HB3 0.000 . 3.949 2.770 1.989 3.329 . 0 0 "[ . 1 . 2]" 1
116 1 39 LEU H 1 39 LEU HB3 0.000 . 3.949 2.572 1.940 3.538 . 0 0 "[ . 1 . 2]" 1
117 1 34 GLU HA 1 37 LEU H 0.000 . 3.949 3.671 3.404 3.905 . 0 0 "[ . 1 . 2]" 1
118 1 161 LEU H 1 161 LEU QD 0.000 . 3.949 2.974 1.679 3.721 . 0 0 "[ . 1 . 2]" 1
119 1 40 SER QB 1 41 ALA H 0.000 . 3.949 3.075 2.634 3.453 . 0 0 "[ . 1 . 2]" 1
120 1 51 ASP HA 1 52 SER H 0.000 . 3.949 2.229 2.202 2.255 . 0 0 "[ . 1 . 2]" 1
121 1 31 THR HG1 1 32 GLY H 0.000 . 3.960 2.304 1.775 3.069 . 0 0 "[ . 1 . 2]" 1
122 1 37 LEU H 1 38 LEU H 0.000 . 3.960 2.739 2.660 2.815 . 0 0 "[ . 1 . 2]" 1
123 1 10 TYR H 1 11 GLN H 0.000 . 3.960 2.734 2.633 2.852 . 0 0 "[ . 1 . 2]" 1
124 1 30 VAL MG2 1 31 THR H 0.000 . 3.960 3.234 1.789 3.581 . 0 0 "[ . 1 . 2]" 1
125 1 9 GLU HA 1 12 LEU H 0.000 . 3.960 3.758 3.433 3.963 0.003 17 0 "[ . 1 . 2]" 1
126 1 21 GLN H 1 21 GLN QG 0.000 . 3.971 2.298 1.970 2.600 . 0 0 "[ . 1 . 2]" 1
127 1 23 SER H 1 24 GLY H 0.000 . 3.971 2.681 2.526 2.822 . 0 0 "[ . 1 . 2]" 1
128 1 26 TYR HA 1 27 TRP H 0.000 . 3.971 2.220 2.203 2.235 . 0 0 "[ . 1 . 2]" 1
129 1 34 GLU QB 1 35 ALA H 0.000 . 3.971 2.740 2.474 2.920 . 0 0 "[ . 1 . 2]" 1
130 1 96 PHE H 1 96 PHE QD 0.000 . 3.971 2.875 1.987 3.746 . 0 0 "[ . 1 . 2]" 1
131 1 158 SER H 1 159 ARG H 0.000 . 3.971 2.138 1.770 3.016 . 0 0 "[ . 1 . 2]" 1
132 1 26 TYR H 1 26 TYR HB3 0.000 . 3.982 2.465 2.041 2.663 . 0 0 "[ . 1 . 2]" 1
133 1 145 TYR HA 1 155 LEU H 0.000 . 3.982 2.610 1.707 2.939 . 0 0 "[ . 1 . 2]" 1
134 1 57 HIS H 1 57 HIS HB2 0.000 . 3.993 2.773 2.066 4.011 0.018 16 0 "[ . 1 . 2]" 1
135 1 98 CYS HA 1 99 VAL H 0.000 . 3.993 3.122 2.152 3.613 . 0 0 "[ . 1 . 2]" 1
136 1 69 THR H 1 69 THR HG1 0.000 . 3.993 2.122 1.774 3.354 . 0 0 "[ . 1 . 2]" 1
137 1 45 GLY H 1 46 THR H 0.000 . 4.004 2.391 2.113 2.596 . 0 0 "[ . 1 . 2]" 1
138 1 60 THR HG1 1 61 LEU H 0.000 . 4.004 2.531 1.852 3.659 . 0 0 "[ . 1 . 2]" 1
139 1 100 LEU H 1 100 LEU HB2 0.000 . 4.004 2.468 1.960 3.499 . 0 0 "[ . 1 . 2]" 1
140 1 34 GLU H 1 35 ALA H 0.000 . 4.015 2.742 2.653 2.839 . 0 0 "[ . 1 . 2]" 1
141 1 28 SER HB2 1 29 ALA H 0.000 . 4.015 3.656 2.008 4.084 0.069 15 0 "[ . 1 . 2]" 1
142 1 36 ASN HB3 1 37 LEU H 0.000 . 4.015 3.679 3.321 4.005 . 0 0 "[ . 1 . 2]" 1
143 1 17 VAL H 1 17 VAL QG 0.000 . 4.026 2.079 1.723 2.537 . 0 0 "[ . 1 . 2]" 1
144 1 28 SER HB3 1 29 ALA H 0.000 . 4.026 3.468 1.932 4.076 0.050 12 0 "[ . 1 . 2]" 1
145 1 59 PHE QD 1 60 THR H 0.000 . 4.026 3.732 3.154 4.081 0.055 13 0 "[ . 1 . 2]" 1
146 1 34 GLU H 1 36 ASN H 0.000 . 4.537 4.479 4.361 4.564 0.027 11 0 "[ . 1 . 2]" 1
147 1 123 SER H 1 123 SER HB3 0.000 . 4.048 3.006 2.120 3.925 . 0 0 "[ . 1 . 2]" 1
148 1 148 SER H 1 148 SER HB2 0.000 . 4.048 2.647 2.035 3.699 . 0 0 "[ . 1 . 2]" 1
149 1 48 LEU H 1 48 LEU QD 0.000 . 4.059 2.796 1.755 3.629 . 0 0 "[ . 1 . 2]" 1
150 1 155 LEU QD 1 156 VAL H 0.000 . 4.059 3.898 3.155 4.152 0.093 11 0 "[ . 1 . 2]" 1
151 1 105 HIS H 1 105 HIS HB2 0.000 . 4.070 2.368 1.927 3.458 . 0 0 "[ . 1 . 2]" 1
152 1 148 SER H 1 148 SER HB3 0.000 . 4.070 2.677 2.038 3.469 . 0 0 "[ . 1 . 2]" 1
153 1 88 ARG H 1 88 ARG QG 0.000 . 4.081 3.242 1.852 4.000 . 0 0 "[ . 1 . 2]" 1
154 1 15 ASN H 1 15 ASN HB2 0.000 . 4.092 2.176 1.942 2.638 . 0 0 "[ . 1 . 2]" 1
155 1 64 LYS H 1 64 LYS HB3 0.000 . 4.092 2.662 2.298 3.274 . 0 0 "[ . 1 . 2]" 1
156 1 78 GLY QA 1 79 GLY H 0.000 . 4.092 2.461 2.170 2.864 . 0 0 "[ . 1 . 2]" 1
157 1 38 LEU H 1 39 LEU H 0.000 . 4.103 2.784 2.652 2.915 . 0 0 "[ . 1 . 2]" 1
158 1 73 ARG HA 1 74 ILE H 0.000 . 3.500 2.402 2.250 2.993 . 0 0 "[ . 1 . 2]" 1
159 1 158 SER HA 1 159 ARG H 0.000 . 4.114 3.209 2.646 3.575 . 0 0 "[ . 1 . 2]" 1
160 1 81 PHE QD 1 82 SER H 0.000 . 4.114 3.711 2.369 4.098 . 0 0 "[ . 1 . 2]" 1
161 1 84 GLN QB 1 85 SER H 0.000 . 4.114 2.690 1.783 3.975 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL HB 1 14 VAL H 0.000 . 4.114 3.087 2.324 3.839 . 0 0 "[ . 1 . 2]" 1
163 1 22 GLU HA 1 23 SER H 0.000 . 4.125 3.537 3.466 3.587 . 0 0 "[ . 1 . 2]" 1
164 1 31 THR HG1 1 33 GLY H 0.000 . 4.125 3.888 2.753 4.131 0.006 2 0 "[ . 1 . 2]" 1
165 1 34 GLU H 1 34 GLU QG 0.000 . 4.125 3.396 1.808 4.023 . 0 0 "[ . 1 . 2]" 1
166 1 123 SER H 1 123 SER HB2 0.000 . 4.125 3.176 2.105 3.979 . 0 0 "[ . 1 . 2]" 1
167 1 39 LEU QD 1 64 LYS H 0.000 . 4.125 3.168 1.808 4.150 0.025 12 0 "[ . 1 . 2]" 1
168 1 38 LEU H 1 38 LEU HB3 0.000 . 4.136 2.118 1.960 2.284 . 0 0 "[ . 1 . 2]" 1
169 1 47 PHE HA 1 48 LEU H 0.000 . 4.136 2.291 2.231 2.426 . 0 0 "[ . 1 . 2]" 1
170 1 50 ARG HA 1 51 ASP H 0.000 . 4.136 2.294 2.212 2.403 . 0 0 "[ . 1 . 2]" 1
171 1 15 ASN QB 1 16 ALA H 0.000 . 4.136 2.580 2.349 2.845 . 0 0 "[ . 1 . 2]" 1
172 1 16 ALA H 1 17 VAL H 0.000 . 4.136 2.608 2.533 2.730 . 0 0 "[ . 1 . 2]" 1
173 1 17 VAL H 1 17 VAL HB 0.000 . 4.147 2.726 2.143 3.539 . 0 0 "[ . 1 . 2]" 1
174 1 36 ASN H 1 36 ASN HB2 0.000 . 4.147 2.923 2.513 3.481 . 0 0 "[ . 1 . 2]" 1
175 1 26 TYR H 1 26 TYR HB2 0.000 . 4.147 2.680 2.380 3.222 . 0 0 "[ . 1 . 2]" 1
176 1 36 ASN HB2 1 37 LEU H 0.000 . 4.147 2.878 2.293 4.076 . 0 0 "[ . 1 . 2]" 1
177 1 30 VAL MG1 1 31 THR H 0.000 . 4.158 2.854 1.944 3.642 . 0 0 "[ . 1 . 2]" 1
178 1 55 GLN H 1 55 GLN QG 0.000 . 4.158 2.892 1.864 3.982 . 0 0 "[ . 1 . 2]" 1
179 1 105 HIS HB2 1 106 TYR H 0.000 . 4.158 3.462 2.713 4.149 . 0 0 "[ . 1 . 2]" 1
180 1 46 THR H 1 46 THR HG1 0.000 . 4.158 2.745 2.019 3.411 . 0 0 "[ . 1 . 2]" 1
181 1 145 TYR H 1 145 TYR QD 0.000 . 4.169 3.241 3.002 4.273 0.104 20 0 "[ . 1 . 2]" 1
182 1 31 THR H 1 34 GLU QG 0.000 . 4.169 3.862 3.291 4.191 0.022 6 0 "[ . 1 . 2]" 1
183 1 48 LEU HA 1 49 ILE H 0.000 . 4.169 2.389 2.332 2.420 . 0 0 "[ . 1 . 2]" 1
184 1 38 LEU HA 1 39 LEU H 0.000 . 4.169 3.519 3.481 3.589 . 0 0 "[ . 1 . 2]" 1
185 1 17 VAL HB 1 18 ARG H 0.000 . 4.180 2.973 2.512 3.935 . 0 0 "[ . 1 . 2]" 1
186 1 36 ASN HA 1 37 LEU H 0.000 . 4.180 3.559 3.543 3.573 . 0 0 "[ . 1 . 2]" 1
187 1 50 ARG H 1 60 THR H 0.000 . 4.180 3.112 2.511 4.188 0.008 16 0 "[ . 1 . 2]" 1
188 1 60 THR HG1 1 72 LEU H 0.000 . 4.180 3.113 2.358 4.204 0.024 15 0 "[ . 1 . 2]" 1
189 1 72 LEU H 1 72 LEU QD 0.000 . 4.180 2.966 1.725 3.678 . 0 0 "[ . 1 . 2]" 1
190 1 148 SER H 1 151 GLU H 0.000 . 4.191 3.159 2.465 4.155 . 0 0 "[ . 1 . 2]" 1
191 1 65 THR HA 1 66 GLN H 0.000 . 4.191 2.748 2.288 3.572 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLU QB 1 10 TYR H 0.000 . 4.202 2.513 1.816 3.783 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU H 1 12 LEU HG 0.000 . 4.202 2.386 1.855 4.185 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL QG 1 15 ASN H 0.000 . 4.202 2.774 1.773 3.296 . 0 0 "[ . 1 . 2]" 1
195 1 44 ALA HA 1 46 THR H 0.000 . 4.202 3.349 3.276 3.406 . 0 0 "[ . 1 . 2]" 1
196 1 65 THR HG1 1 66 GLN H 0.000 . 4.202 2.815 1.817 3.828 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL H 1 15 ASN H 0.000 . 4.213 2.789 2.727 2.861 . 0 0 "[ . 1 . 2]" 1
198 1 64 LYS H 1 64 LYS HB2 0.000 . 4.213 2.644 2.283 2.950 . 0 0 "[ . 1 . 2]" 1
199 1 104 HIS H 1 105 HIS H 0.000 . 4.213 2.749 2.510 2.895 . 0 0 "[ . 1 . 2]" 1
200 1 14 VAL HB 1 15 ASN H 0.000 . 4.213 2.816 2.263 3.926 . 0 0 "[ . 1 . 2]" 1
201 1 21 GLN H 1 22 GLU H 0.000 . 4.213 2.656 2.599 2.844 . 0 0 "[ . 1 . 2]" 1
202 1 74 ILE H 1 74 ILE MG 0.000 . 4.213 2.507 1.788 3.771 . 0 0 "[ . 1 . 2]" 1
203 1 103 VAL H 1 103 VAL HB 0.000 . 4.213 2.903 2.044 3.524 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU H 1 12 LEU QD 0.000 . 4.224 2.574 2.219 3.254 . 0 0 "[ . 1 . 2]" 1
205 1 25 PHE HA 1 26 TYR H 0.000 . 4.224 3.144 2.499 3.407 . 0 0 "[ . 1 . 2]" 1
206 1 46 THR H 1 64 LYS HB3 0.000 . 4.224 3.796 3.210 4.256 0.032 19 0 "[ . 1 . 2]" 1
207 1 57 HIS H 1 57 HIS HB3 0.000 . 4.224 3.591 2.833 4.066 . 0 0 "[ . 1 . 2]" 1
208 1 15 ASN H 1 15 ASN HB3 0.000 . 4.235 3.067 2.266 3.516 . 0 0 "[ . 1 . 2]" 1
209 1 30 VAL HB 1 31 THR H 0.000 . 4.235 1.859 1.569 2.214 . 0 0 "[ . 1 . 2]" 1
210 1 67 SER H 1 67 SER HB2 0.000 . 4.235 2.935 2.030 4.060 . 0 0 "[ . 1 . 2]" 1
211 1 100 LEU H 1 100 LEU HB3 0.000 . 4.246 3.107 2.003 3.529 . 0 0 "[ . 1 . 2]" 1
212 1 147 TYR H 1 147 TYR QD 0.000 . 4.246 2.130 1.838 2.983 . 0 0 "[ . 1 . 2]" 1
213 1 30 VAL H 1 31 THR H 0.000 . 4.257 4.131 3.390 4.312 0.055 14 0 "[ . 1 . 2]" 1
214 1 145 TYR QD 1 146 ILE H 0.000 . 4.257 2.586 2.292 2.839 . 0 0 "[ . 1 . 2]" 1
215 1 147 TYR QD 1 148 SER H 0.000 . 4.257 4.299 4.160 4.380 0.123 7 0 "[ . 1 . 2]" 1
216 1 18 ARG H 1 19 LYS H 0.000 . 4.257 2.838 2.793 2.905 . 0 0 "[ . 1 . 2]" 1
217 1 37 LEU H 1 37 LEU HG 0.000 . 4.257 4.041 1.799 4.273 0.016 15 0 "[ . 1 . 2]" 1
218 1 147 TYR HB3 1 148 SER H 0.000 . 4.257 3.539 3.316 4.206 . 0 0 "[ . 1 . 2]" 1
219 1 103 VAL H 1 104 HIS H 0.000 . 4.268 2.806 2.757 2.865 . 0 0 "[ . 1 . 2]" 1
220 1 37 LEU QD 1 63 VAL H 0.000 . 4.268 3.974 3.517 4.293 0.025 12 0 "[ . 1 . 2]" 1
221 1 46 THR HA 1 159 ARG H 0.000 . 4.268 3.839 2.581 4.271 0.003 8 0 "[ . 1 . 2]" 1
222 1 60 THR HG1 1 73 ARG H 0.000 . 4.279 3.768 2.983 4.292 0.013 12 0 "[ . 1 . 2]" 1
223 1 96 PHE QD 1 97 ASP H 0.000 . 4.279 3.236 1.842 4.316 0.037 15 0 "[ . 1 . 2]" 1
224 1 100 LEU H 1 101 LYS H 0.000 . 4.279 2.777 2.621 2.955 . 0 0 "[ . 1 . 2]" 1
225 1 66 GLN QB 1 67 SER H 0.000 . 4.279 2.820 1.927 3.955 . 0 0 "[ . 1 . 2]" 1
226 1 99 VAL H 1 99 VAL QG 0.000 . 4.279 2.396 1.666 2.866 . 0 0 "[ . 1 . 2]" 1
227 1 144 TYR H 1 144 TYR QD 0.000 . 4.279 3.507 1.813 4.266 . 0 0 "[ . 1 . 2]" 1
228 1 16 ALA MB 1 17 VAL H 0.000 . 4.290 2.375 2.310 2.575 . 0 0 "[ . 1 . 2]" 1
229 1 25 PHE H 1 25 PHE QD 0.000 . 4.290 3.168 2.224 4.230 . 0 0 "[ . 1 . 2]" 1
230 1 31 THR HG1 1 34 GLU H 0.000 . 4.290 3.350 1.933 3.719 . 0 0 "[ . 1 . 2]" 1
231 1 39 LEU HB3 1 40 SER H 0.000 . 4.290 3.672 3.030 4.043 . 0 0 "[ . 1 . 2]" 1
232 1 17 VAL QG 1 18 ARG H 0.000 . 4.290 2.650 1.671 3.229 . 0 0 "[ . 1 . 2]" 1
233 1 18 ARG QB 1 19 LYS H 0.000 . 4.290 2.458 2.289 2.643 . 0 0 "[ . 1 . 2]" 1
234 1 38 LEU HA 1 42 GLU H 0.000 . 4.290 4.339 4.308 4.373 0.083 3 0 "[ . 1 . 2]" 1
235 1 9 GLU HA 1 10 TYR H 0.000 . 4.301 3.549 3.343 3.590 . 0 0 "[ . 1 . 2]" 1
236 1 10 TYR QB 1 11 GLN H 0.000 . 4.301 3.199 2.366 3.407 . 0 0 "[ . 1 . 2]" 1
237 1 16 ALA MB 1 18 ARG H 0.000 . 4.301 4.382 4.364 4.432 0.131 12 0 "[ . 1 . 2]" 1
238 1 33 GLY HA2 1 36 ASN H 0.000 . 4.301 3.306 3.256 3.343 . 0 0 "[ . 1 . 2]" 1
239 1 64 LYS HB3 1 65 THR H 0.000 . 4.301 3.999 3.538 4.305 0.004 15 0 "[ . 1 . 2]" 1
240 1 11 GLN HA 1 12 LEU H 0.000 . 4.301 3.558 3.533 3.578 . 0 0 "[ . 1 . 2]" 1
241 1 67 SER H 1 67 SER HB3 0.000 . 4.301 3.059 2.061 3.878 . 0 0 "[ . 1 . 2]" 1
242 1 59 PHE QB 1 60 THR H 0.000 . 4.312 2.950 2.709 3.380 . 0 0 "[ . 1 . 2]" 1
243 1 84 GLN QG 1 85 SER H 0.000 . 4.312 3.659 1.959 4.314 0.002 17 0 "[ . 1 . 2]" 1
244 1 51 ASP HB3 1 52 SER H 0.000 . 4.312 4.073 3.329 4.325 0.013 8 0 "[ . 1 . 2]" 1
245 1 82 SER HA 1 83 LEU H 0.000 . 4.312 2.300 2.239 2.461 . 0 0 "[ . 1 . 2]" 1
246 1 11 GLN HA 1 14 VAL H 0.000 . 4.323 3.665 3.385 3.902 . 0 0 "[ . 1 . 2]" 1
247 1 28 SER H 1 29 ALA H 0.000 . 4.323 3.197 1.563 4.328 0.005 1 0 "[ . 1 . 2]" 1
248 1 75 GLN H 1 82 SER H 0.000 . 4.323 2.892 1.881 3.505 . 0 0 "[ . 1 . 2]" 1
249 1 97 ASP H 1 98 CYS H 0.000 . 4.323 4.339 4.222 4.384 0.061 7 0 "[ . 1 . 2]" 1
250 1 36 ASN H 1 37 LEU MD1 0.000 . 4.334 4.112 3.661 4.378 0.044 15 0 "[ . 1 . 2]" 1
251 1 60 THR H 1 60 THR HG1 0.000 . 4.334 2.731 1.816 3.505 . 0 0 "[ . 1 . 2]" 1
252 1 147 TYR HB2 1 148 SER H 0.000 . 4.334 4.254 3.879 4.337 0.003 20 0 "[ . 1 . 2]" 1
253 1 158 SER QB 1 159 ARG H 0.000 . 4.334 3.496 2.225 4.088 . 0 0 "[ . 1 . 2]" 1
254 1 46 THR H 1 64 LYS HB2 0.000 . 4.345 4.286 3.768 4.371 0.026 16 0 "[ . 1 . 2]" 1
255 1 85 SER QB 1 86 ASP H 0.000 . 4.345 3.119 1.854 4.051 . 0 0 "[ . 1 . 2]" 1
256 1 146 ILE H 1 146 ILE HB 0.000 . 4.345 2.385 2.129 2.672 . 0 0 "[ . 1 . 2]" 1
257 1 47 PHE H 1 160 PRO HA 0.000 . 4.345 4.147 2.842 4.374 0.029 16 0 "[ . 1 . 2]" 1
258 1 53 SER HA 1 54 ASP H 0.000 . 4.345 3.208 2.417 3.589 . 0 0 "[ . 1 . 2]" 1
259 1 83 LEU QD 1 84 GLN H 0.000 . 4.345 3.904 2.939 4.361 0.016 15 0 "[ . 1 . 2]" 1
260 1 151 GLU H 1 152 LYS H 0.000 . 4.345 4.339 4.322 4.374 0.029 15 0 "[ . 1 . 2]" 1
261 1 147 TYR HA 1 153 ILE H 0.000 . 4.200 2.581 1.923 2.920 . 0 0 "[ . 1 . 2]" 1
262 1 55 GLN QB 1 56 ARG H 0.000 . 4.356 3.260 2.591 3.810 . 0 0 "[ . 1 . 2]" 1
263 1 57 HIS HA 1 58 PHE H 0.000 . 4.356 2.861 2.220 3.584 . 0 0 "[ . 1 . 2]" 1
264 1 145 TYR HB3 1 146 ILE H 0.000 . 4.356 3.995 3.418 4.295 . 0 0 "[ . 1 . 2]" 1
265 1 156 VAL QG 1 157 LEU H 0.000 . 4.356 3.251 2.777 3.690 . 0 0 "[ . 1 . 2]" 1
266 1 38 LEU H 1 38 LEU MD1 0.000 . 4.367 3.995 3.784 4.190 . 0 0 "[ . 1 . 2]" 1
267 1 10 TYR H 1 12 LEU H 0.000 . 4.378 4.248 3.979 4.379 0.001 13 0 "[ . 1 . 2]" 1
268 1 38 LEU H 1 39 LEU QD 0.000 . 4.378 4.340 3.413 4.441 0.063 16 0 "[ . 1 . 2]" 1
269 1 51 ASP H 1 51 ASP HB3 0.000 . 4.378 2.713 2.204 3.418 . 0 0 "[ . 1 . 2]" 1
270 1 101 LYS HA 1 104 HIS H 0.000 . 4.378 3.659 3.482 3.820 . 0 0 "[ . 1 . 2]" 1
271 1 51 ASP H 1 51 ASP HB2 0.000 . 4.378 2.401 1.972 3.553 . 0 0 "[ . 1 . 2]" 1
272 1 90 THR H 1 90 THR HB 0.000 . 4.378 3.267 2.467 4.004 . 0 0 "[ . 1 . 2]" 1
273 1 101 LYS H 1 102 LEU H 0.000 . 4.378 2.601 2.482 2.771 . 0 0 "[ . 1 . 2]" 1
274 1 105 HIS HB3 1 106 TYR H 0.000 . 4.378 2.872 2.173 3.417 . 0 0 "[ . 1 . 2]" 1
275 1 13 VAL HA 1 16 ALA H 0.000 . 4.389 3.509 3.237 3.696 . 0 0 "[ . 1 . 2]" 1
276 1 53 SER H 1 54 ASP H 0.000 . 4.389 2.875 1.865 4.292 . 0 0 "[ . 1 . 2]" 1
277 1 144 TYR H 1 144 TYR HB3 0.000 . 4.389 2.740 2.283 3.043 . 0 0 "[ . 1 . 2]" 1
278 1 10 TYR QD 1 11 GLN H 0.000 . 4.389 2.879 2.293 3.260 . 0 0 "[ . 1 . 2]" 1
279 1 15 ASN HA 1 18 ARG H 0.000 . 4.389 3.744 3.495 3.947 . 0 0 "[ . 1 . 2]" 1
280 1 146 ILE H 1 146 ILE MD 0.000 . 4.389 2.674 2.157 3.878 . 0 0 "[ . 1 . 2]" 1
281 1 75 GLN HA 1 76 CYS H 0.000 . 4.400 2.269 2.210 2.327 . 0 0 "[ . 1 . 2]" 1
282 1 23 SER HA 1 24 GLY H 0.000 . 4.411 3.545 3.510 3.581 . 0 0 "[ . 1 . 2]" 1
283 1 59 PHE H 1 59 PHE QD 0.000 . 4.411 2.828 2.376 3.740 . 0 0 "[ . 1 . 2]" 1
284 1 86 ASP HA 1 88 ARG H 0.000 . 4.411 4.211 3.402 4.414 0.003 20 0 "[ . 1 . 2]" 1
285 1 10 TYR H 1 10 TYR QD 0.000 . 4.411 2.494 1.861 4.015 . 0 0 "[ . 1 . 2]" 1
286 1 38 LEU H 1 38 LEU MD2 0.000 . 4.411 3.449 3.162 3.996 . 0 0 "[ . 1 . 2]" 1
287 1 44 ALA MB 1 46 THR H 0.000 . 4.411 4.428 4.232 4.472 0.061 12 0 "[ . 1 . 2]" 1
288 1 72 LEU QD 1 73 ARG H 0.000 . 4.411 3.511 2.769 4.285 . 0 0 "[ . 1 . 2]" 1
289 1 10 TYR HA 1 11 GLN H 0.000 . 4.422 3.562 3.550 3.592 . 0 0 "[ . 1 . 2]" 1
290 1 81 PHE QB 1 82 SER H 0.000 . 4.422 3.300 2.789 3.675 . 0 0 "[ . 1 . 2]" 1
291 1 20 LEU H 1 20 LEU HG 0.000 . 4.433 3.894 2.351 4.477 0.044 2 0 "[ . 1 . 2]" 1
292 1 68 GLY HA3 1 69 THR H 0.000 . 4.433 3.120 2.614 3.591 . 0 0 "[ . 1 . 2]" 1
293 1 39 LEU MD1 1 40 SER H 0.000 . 4.433 2.931 1.757 4.439 0.006 19 0 "[ . 1 . 2]" 1
294 1 90 THR HG1 1 91 GLN H 0.000 . 4.433 3.536 2.239 4.212 . 0 0 "[ . 1 . 2]" 1
295 1 65 THR H 1 65 THR HG1 0.000 . 4.444 2.717 1.910 3.645 . 0 0 "[ . 1 . 2]" 1
296 1 54 ASP QB 1 57 HIS H 0.000 . 4.444 3.606 2.205 4.458 0.014 6 0 "[ . 1 . 2]" 1
297 1 13 VAL QG 1 14 VAL H 0.000 . 4.444 2.305 1.717 3.116 . 0 0 "[ . 1 . 2]" 1
298 1 24 GLY HA3 1 25 PHE H 0.000 . 4.444 3.465 3.148 3.583 . 0 0 "[ . 1 . 2]" 1
299 1 77 GLU H 1 81 PHE HA 0.000 . 4.444 3.407 2.843 3.773 . 0 0 "[ . 1 . 2]" 1
300 1 33 GLY HA3 1 34 GLU H 0.000 . 4.455 2.945 2.805 2.984 . 0 0 "[ . 1 . 2]" 1
301 1 64 LYS HB2 1 65 THR H 0.000 . 4.455 4.379 4.151 4.476 0.021 19 0 "[ . 1 . 2]" 1
302 1 39 LEU HB2 1 40 SER H 0.000 . 4.466 3.610 2.439 4.182 . 0 0 "[ . 1 . 2]" 1
303 1 80 SER HB3 1 81 PHE H 0.000 . 4.477 3.553 2.808 4.249 . 0 0 "[ . 1 . 2]" 1
304 1 145 TYR HB2 1 146 ILE H 0.000 . 4.477 2.785 2.583 4.195 . 0 0 "[ . 1 . 2]" 1
305 1 99 VAL H 1 100 LEU H 0.000 . 4.477 2.851 2.738 2.990 . 0 0 "[ . 1 . 2]" 1
306 1 91 GLN H 1 91 GLN QG 0.000 . 4.477 3.537 2.069 4.278 . 0 0 "[ . 1 . 2]" 1
307 1 83 LEU H 1 83 LEU HG 0.000 . 4.488 4.251 3.264 4.489 0.001 2 0 "[ . 1 . 2]" 1
308 1 18 ARG HA 1 21 GLN H 0.000 . 4.488 3.941 3.707 4.077 . 0 0 "[ . 1 . 2]" 1
309 1 38 LEU HA 1 41 ALA H 0.000 . 4.499 3.280 3.047 3.592 . 0 0 "[ . 1 . 2]" 1
310 1 32 GLY QA 1 33 GLY H 0.000 . 4.499 2.340 2.231 2.458 . 0 0 "[ . 1 . 2]" 1
311 1 146 ILE H 1 146 ILE MG 0.000 . 4.499 3.691 3.150 3.787 . 0 0 "[ . 1 . 2]" 1
312 1 81 PHE H 1 81 PHE QD 0.000 . 4.510 3.682 3.130 4.159 . 0 0 "[ . 1 . 2]" 1
313 1 15 ASN H 1 15 ASN QD 0.000 . 4.510 3.991 2.260 4.515 0.005 9 0 "[ . 1 . 2]" 1
314 1 100 LEU HA 1 103 VAL H 0.000 . 4.510 3.496 3.138 3.802 . 0 0 "[ . 1 . 2]" 1
315 1 9 GLU QG 1 10 TYR H 0.000 . 4.521 3.060 1.778 4.220 . 0 0 "[ . 1 . 2]" 1
316 1 55 GLN H 1 56 ARG H 0.000 . 4.521 2.482 2.291 2.674 . 0 0 "[ . 1 . 2]" 1
317 1 63 VAL H 1 70 LYS H 0.000 . 4.521 3.564 2.864 4.525 0.004 11 0 "[ . 1 . 2]" 1
318 1 12 LEU HG 1 13 VAL H 0.000 . 4.521 4.387 4.096 4.547 0.026 6 0 "[ . 1 . 2]" 1
319 1 40 SER H 1 42 GLU H 0.000 . 4.521 3.962 3.886 4.047 . 0 0 "[ . 1 . 2]" 1
320 1 56 ARG HA 1 57 HIS H 0.000 . 4.521 3.253 2.771 3.588 . 0 0 "[ . 1 . 2]" 1
321 1 39 LEU MD2 1 40 SER H 0.000 . 4.521 3.551 1.774 4.551 0.030 19 0 "[ . 1 . 2]" 1
322 1 20 LEU H 1 21 GLN H 0.000 . 4.521 2.643 2.571 2.746 . 0 0 "[ . 1 . 2]" 1
323 1 36 ASN HA 1 39 LEU H 0.000 . 4.532 4.006 3.579 4.296 . 0 0 "[ . 1 . 2]" 1
324 1 49 ILE MG 1 60 THR H 0.000 . 4.532 4.537 4.283 4.581 0.049 13 0 "[ . 1 . 2]" 1
325 1 24 GLY HA2 1 25 PHE H 0.000 . 4.532 3.020 2.530 3.412 . 0 0 "[ . 1 . 2]" 1
326 1 84 GLN H 1 84 GLN HG3 0.000 . 4.532 3.477 2.095 4.549 0.017 12 0 "[ . 1 . 2]" 1
327 1 102 LEU H 1 102 LEU HG 0.000 . 4.543 3.573 1.836 4.383 . 0 0 "[ . 1 . 2]" 1
328 1 24 GLY H 1 26 TYR H 0.000 . 4.543 3.616 3.100 4.545 0.002 3 0 "[ . 1 . 2]" 1
329 1 35 ALA HA 1 38 LEU H 0.000 . 4.554 3.853 3.756 3.973 . 0 0 "[ . 1 . 2]" 1
330 1 68 GLY HA2 1 69 THR H 0.000 . 4.554 2.365 2.193 2.602 . 0 0 "[ . 1 . 2]" 1
331 1 21 GLN HA 1 22 GLU H 0.000 . 4.565 3.550 3.542 3.579 . 0 0 "[ . 1 . 2]" 1
332 1 64 LYS H 1 65 THR H 0.000 . 4.565 4.486 4.390 4.542 . 0 0 "[ . 1 . 2]" 1
333 1 52 SER H 1 59 PHE HA 0.000 . 4.000 2.417 1.819 3.097 . 0 0 "[ . 1 . 2]" 1
334 1 17 VAL H 1 18 ARG H 0.000 . 4.576 2.723 2.707 2.764 . 0 0 "[ . 1 . 2]" 1
335 1 30 VAL H 1 35 ALA HA 0.000 . 4.576 4.200 2.974 4.625 0.049 13 0 "[ . 1 . 2]" 1
336 1 102 LEU HA 1 105 HIS H 0.000 . 4.576 3.376 2.976 3.686 . 0 0 "[ . 1 . 2]" 1
337 1 45 GLY QA 1 46 THR H 0.000 . 4.576 2.884 2.826 2.937 . 0 0 "[ . 1 . 2]" 1
338 1 155 LEU H 1 155 LEU QD 0.000 . 4.576 2.610 2.284 3.091 . 0 0 "[ . 1 . 2]" 1
339 1 80 SER HB2 1 81 PHE H 0.000 . 4.576 3.234 2.647 4.372 . 0 0 "[ . 1 . 2]" 1
340 1 33 GLY HA3 1 36 ASN H 0.000 . 4.587 4.644 4.611 4.665 0.078 19 0 "[ . 1 . 2]" 1
341 1 49 ILE HA 1 62 SER H 0.000 . 4.587 3.876 2.989 4.337 . 0 0 "[ . 1 . 2]" 1
342 1 54 ASP QB 1 55 GLN H 0.000 . 4.587 2.309 1.826 3.563 . 0 0 "[ . 1 . 2]" 1
343 1 81 PHE H 1 96 PHE H 0.000 . 4.609 4.627 4.603 4.681 0.072 3 0 "[ . 1 . 2]" 1
344 1 48 LEU H 1 62 SER H 0.000 . 4.609 3.482 2.802 4.179 . 0 0 "[ . 1 . 2]" 1
345 1 74 ILE HA 1 82 SER H 0.000 . 4.609 4.321 3.696 4.646 0.037 1 0 "[ . 1 . 2]" 1
346 1 34 GLU HA 1 36 ASN H 0.000 . 4.609 4.658 4.610 4.716 0.107 11 0 "[ . 1 . 2]" 1
347 1 37 LEU QD 1 63 VAL H 0.000 . 4.609 4.664 4.640 4.714 0.105 18 0 "[ . 1 . 2]" 1
348 1 33 GLY H 1 34 GLU H 0.000 . 4.609 2.527 2.456 2.788 . 0 0 "[ . 1 . 2]" 1
349 1 83 LEU QB 1 84 GLN H 0.000 . 4.609 3.194 2.226 4.031 . 0 0 "[ . 1 . 2]" 1
350 1 10 TYR QE 1 11 GLN H 0.000 . 4.609 3.796 3.500 4.624 0.015 10 0 "[ . 1 . 2]" 1
351 1 156 VAL HB 1 157 LEU H 0.000 . 4.609 4.077 3.671 4.498 . 0 0 "[ . 1 . 2]" 1
352 1 46 THR HG1 1 159 ARG H 0.000 . 4.620 4.532 3.848 4.659 0.039 9 0 "[ . 1 . 2]" 1
353 1 20 LEU H 1 20 LEU QD 0.000 . 4.620 3.362 2.522 3.665 . 0 0 "[ . 1 . 2]" 1
354 1 37 LEU QD 1 38 LEU H 0.000 . 4.620 3.917 3.775 4.100 . 0 0 "[ . 1 . 2]" 1
355 1 19 LYS HA 1 20 LEU H 0.000 . 4.631 3.557 3.535 3.584 . 0 0 "[ . 1 . 2]" 1
356 1 27 TRP H 1 28 SER H 0.000 . 4.631 4.510 4.080 4.653 0.022 18 0 "[ . 1 . 2]" 1
357 1 18 ARG HA 1 19 LYS H 0.000 . 4.631 3.579 3.567 3.591 . 0 0 "[ . 1 . 2]" 1
358 1 106 TYR QD 1 107 MET H 0.000 . 4.642 4.645 4.471 4.712 0.070 19 0 "[ . 1 . 2]" 1
359 1 34 GLU QG 1 35 ALA H 0.000 . 4.642 4.127 3.832 4.495 . 0 0 "[ . 1 . 2]" 1
360 1 58 PHE QD 1 59 PHE H 0.000 . 4.642 2.876 2.108 4.317 . 0 0 "[ . 1 . 2]" 1
361 1 82 SER QB 1 83 LEU H 0.000 . 4.642 3.255 2.624 3.710 . 0 0 "[ . 1 . 2]" 1
362 1 10 TYR HA 1 13 VAL H 0.000 . 4.653 3.575 3.330 3.936 . 0 0 "[ . 1 . 2]" 1
363 1 49 ILE MD 1 60 THR H 0.000 . 4.653 4.084 2.133 4.659 0.006 18 0 "[ . 1 . 2]" 1
364 1 34 GLU HA 1 35 ALA H 0.000 . 4.664 3.518 3.480 3.584 . 0 0 "[ . 1 . 2]" 1
365 1 63 VAL H 1 71 ASN HA 0.000 . 4.664 4.284 3.543 4.742 0.078 11 0 "[ . 1 . 2]" 1
366 1 67 SER HB3 1 68 GLY H 0.000 . 4.664 3.518 2.366 4.453 . 0 0 "[ . 1 . 2]" 1
367 1 37 LEU HA 1 38 LEU H 0.000 . 4.675 3.552 3.542 3.566 . 0 0 "[ . 1 . 2]" 1
368 1 51 ASP HB2 1 52 SER H 0.000 . 4.675 4.406 3.586 4.676 0.001 14 0 "[ . 1 . 2]" 1
369 1 47 PHE H 1 161 LEU H 0.000 . 4.675 4.236 3.227 4.680 0.005 3 0 "[ . 1 . 2]" 1
370 1 47 PHE QD 1 159 ARG H 0.000 . 4.675 2.925 1.828 4.665 . 0 0 "[ . 1 . 2]" 1
371 1 17 VAL HA 1 18 ARG H 0.000 . 4.675 3.549 3.534 3.554 . 0 0 "[ . 1 . 2]" 1
372 1 16 ALA HA 1 19 LYS H 0.000 . 4.675 3.505 3.326 3.656 . 0 0 "[ . 1 . 2]" 1
373 1 19 LYS H 1 20 LEU H 0.000 . 4.686 2.497 2.436 2.604 . 0 0 "[ . 1 . 2]" 1
374 1 55 GLN QG 1 56 ARG H 0.000 . 4.686 3.500 1.906 4.674 . 0 0 "[ . 1 . 2]" 1
375 1 30 VAL QG 1 35 ALA H 0.000 . 4.686 3.521 2.782 3.919 . 0 0 "[ . 1 . 2]" 1
376 1 64 LYS H 1 64 LYS QD 0.000 . 4.686 4.323 3.730 4.532 . 0 0 "[ . 1 . 2]" 1
377 1 67 SER HB2 1 68 GLY H 0.000 . 4.697 3.806 2.067 4.615 . 0 0 "[ . 1 . 2]" 1
378 1 84 GLN H 1 84 GLN HG2 0.000 . 4.697 3.740 2.248 4.619 . 0 0 "[ . 1 . 2]" 1
379 1 15 ASN H 1 17 VAL H 0.000 . 4.697 4.218 4.132 4.404 . 0 0 "[ . 1 . 2]" 1
380 1 47 PHE HA 1 64 LYS H 0.000 . 4.697 4.304 3.461 4.607 . 0 0 "[ . 1 . 2]" 1
381 1 25 PHE QB 1 26 TYR H 0.000 . 4.708 3.721 3.213 4.079 . 0 0 "[ . 1 . 2]" 1
382 1 157 LEU QD 1 158 SER H 0.000 . 4.708 3.355 2.377 4.519 . 0 0 "[ . 1 . 2]" 1
383 1 105 HIS H 1 106 TYR H 0.000 . 4.719 2.531 2.412 2.782 . 0 0 "[ . 1 . 2]" 1
384 1 145 TYR QE 1 153 ILE H 0.000 . 4.719 2.902 2.183 3.214 . 0 0 "[ . 1 . 2]" 1
385 1 12 LEU QB 1 13 VAL H 0.000 . 4.730 2.363 2.306 2.461 . 0 0 "[ . 1 . 2]" 1
386 1 11 GLN H 1 14 VAL QG 0.000 . 4.730 4.190 3.711 4.588 . 0 0 "[ . 1 . 2]" 1
387 1 13 VAL QG 1 15 ASN H 0.000 . 4.730 4.204 3.768 4.733 0.003 11 0 "[ . 1 . 2]" 1
388 1 58 PHE H 1 58 PHE QD 0.000 . 4.730 3.167 2.266 4.367 . 0 0 "[ . 1 . 2]" 1
389 1 106 TYR QB 1 107 MET H 0.000 . 4.730 2.999 2.877 3.312 . 0 0 "[ . 1 . 2]" 1
390 1 14 VAL HA 1 17 VAL H 0.000 . 4.730 3.539 3.269 3.777 . 0 0 "[ . 1 . 2]" 1
391 1 13 VAL HA 1 14 VAL H 0.000 . 4.730 3.574 3.555 3.588 . 0 0 "[ . 1 . 2]" 1
392 1 152 LYS H 1 153 ILE H 0.000 . 4.730 4.338 4.263 4.511 . 0 0 "[ . 1 . 2]" 1
393 1 19 LYS QB 1 20 LEU H 0.000 . 4.741 2.584 2.378 2.783 . 0 0 "[ . 1 . 2]" 1
394 1 142 ARG H 1 143 ALA H 0.000 . 4.752 4.301 2.553 4.682 . 0 0 "[ . 1 . 2]" 1
395 1 25 PHE QD 1 26 TYR H 0.000 . 4.763 4.033 2.767 4.777 0.014 16 0 "[ . 1 . 2]" 1
396 1 27 TRP H 1 50 ARG HA 0.000 . 4.763 3.914 3.190 4.808 0.045 13 0 "[ . 1 . 2]" 1
397 1 20 LEU QD 1 21 GLN H 0.000 . 4.763 3.791 3.234 4.164 . 0 0 "[ . 1 . 2]" 1
398 1 88 ARG HB3 1 89 SER H 0.000 . 4.763 3.558 2.327 4.508 . 0 0 "[ . 1 . 2]" 1
399 1 66 GLN HA 1 67 SER H 0.000 . 4.774 3.458 2.626 3.593 . 0 0 "[ . 1 . 2]" 1
400 1 146 ILE H 1 153 ILE H 0.000 . 4.785 4.230 3.546 4.539 . 0 0 "[ . 1 . 2]" 1
401 1 66 GLN H 1 66 GLN QG 0.000 . 4.785 2.938 1.851 4.017 . 0 0 "[ . 1 . 2]" 1
402 1 23 SER QB 1 24 GLY H 0.000 . 4.785 2.913 2.433 3.517 . 0 0 "[ . 1 . 2]" 1
403 1 32 GLY H 1 33 GLY H 0.000 . 4.796 3.414 3.078 3.656 . 0 0 "[ . 1 . 2]" 1
404 1 47 PHE H 1 159 ARG H 0.000 . 4.807 4.227 3.502 4.829 0.022 6 0 "[ . 1 . 2]" 1
405 1 95 ARG H 1 96 PHE QD 0.000 . 4.807 4.344 3.192 4.860 0.053 10 0 "[ . 1 . 2]" 1
406 1 38 LEU QD 1 39 LEU H 0.000 . 4.807 2.880 2.388 3.594 . 0 0 "[ . 1 . 2]" 1
407 1 89 SER H 1 91 GLN H 0.000 . 4.818 4.441 3.243 4.835 0.017 16 0 "[ . 1 . 2]" 1
408 1 14 VAL HA 1 15 ASN H 0.000 . 4.818 3.568 3.540 3.591 . 0 0 "[ . 1 . 2]" 1
409 1 45 GLY H 1 64 LYS QB 0.000 . 4.829 2.446 1.861 3.074 . 0 0 "[ . 1 . 2]" 1
410 1 88 ARG HB2 1 89 SER H 0.000 . 4.829 3.796 2.850 4.515 . 0 0 "[ . 1 . 2]" 1
411 1 83 LEU H 1 84 GLN H 0.000 . 4.840 2.538 1.820 4.502 . 0 0 "[ . 1 . 2]" 1
412 1 77 GLU H 1 81 PHE H 0.000 . 4.840 4.730 4.280 4.851 0.011 3 0 "[ . 1 . 2]" 1
413 1 60 THR HB 1 61 LEU H 0.000 . 4.851 3.820 2.971 4.300 . 0 0 "[ . 1 . 2]" 1
414 1 102 LEU H 1 102 LEU QD 0.000 . 4.851 3.066 2.246 3.646 . 0 0 "[ . 1 . 2]" 1
415 1 57 HIS H 1 58 PHE H 0.000 . 4.862 3.870 2.994 4.624 . 0 0 "[ . 1 . 2]" 1
416 1 33 GLY HA2 1 34 GLU H 0.000 . 4.862 3.534 3.511 3.573 . 0 0 "[ . 1 . 2]" 1
417 1 50 ARG H 1 61 LEU HA 0.000 . 4.873 3.371 3.055 3.873 . 0 0 "[ . 1 . 2]" 1
418 1 12 LEU QD 1 13 VAL H 0.000 . 4.873 3.683 3.401 3.968 . 0 0 "[ . 1 . 2]" 1
419 1 55 GLN QG 1 57 HIS H 0.000 . 4.884 4.606 2.844 4.897 0.013 20 0 "[ . 1 . 2]" 1
420 1 147 TYR QD 1 152 LYS H 0.000 . 4.884 4.813 4.406 4.945 0.061 4 0 "[ . 1 . 2]" 1
421 1 26 TYR H 1 27 TRP H 0.000 . 4.895 4.496 4.251 4.585 . 0 0 "[ . 1 . 2]" 1
422 1 58 PHE H 1 59 PHE H 0.000 . 4.895 4.275 3.629 4.640 . 0 0 "[ . 1 . 2]" 1
423 1 53 SER QB 1 54 ASP H 0.000 . 4.906 3.069 1.870 4.005 . 0 0 "[ . 1 . 2]" 1
424 1 147 TYR HA 1 151 GLU H 0.000 . 4.906 4.487 3.994 4.917 0.011 7 0 "[ . 1 . 2]" 1
425 1 102 LEU H 1 103 VAL H 0.000 . 4.906 2.690 2.561 2.809 . 0 0 "[ . 1 . 2]" 1
426 1 146 ILE H 1 155 LEU H 0.000 . 4.917 4.117 3.569 4.439 . 0 0 "[ . 1 . 2]" 1
427 1 57 HIS QB 1 58 PHE H 0.000 . 4.928 2.549 1.766 3.959 . 0 0 "[ . 1 . 2]" 1
428 1 74 ILE H 1 74 ILE MD 0.000 . 4.950 3.848 1.790 4.411 . 0 0 "[ . 1 . 2]" 1
429 1 97 ASP HA 1 98 CYS H 0.000 . 4.950 2.206 2.178 2.239 . 0 0 "[ . 1 . 2]" 1
430 1 48 LEU HA 1 161 LEU H 0.000 . 4.972 4.367 2.947 4.971 . 0 0 "[ . 1 . 2]" 1
431 1 20 LEU HA 1 21 GLN H 0.000 . 4.972 3.570 3.539 3.585 . 0 0 "[ . 1 . 2]" 1
432 1 99 VAL HA 1 100 LEU H 0.000 . 4.972 3.534 3.455 3.599 . 0 0 "[ . 1 . 2]" 1
433 1 11 GLN HA 1 13 VAL H 0.000 . 4.972 4.634 4.469 4.795 . 0 0 "[ . 1 . 2]" 1
434 1 101 LYS HA 1 102 LEU H 0.000 . 4.972 3.525 3.498 3.567 . 0 0 "[ . 1 . 2]" 1
435 1 83 LEU H 1 83 LEU QD 0.000 . 4.983 3.691 3.467 3.937 . 0 0 "[ . 1 . 2]" 1
436 1 89 SER H 1 90 THR H 0.000 . 4.994 3.447 2.405 4.695 . 0 0 "[ . 1 . 2]" 1
437 1 95 ARG H 1 96 PHE H 0.000 . 4.994 3.059 2.511 4.529 . 0 0 "[ . 1 . 2]" 1
438 1 84 GLN H 1 85 SER H 0.000 . 5.005 4.021 2.735 4.687 . 0 0 "[ . 1 . 2]" 1
439 1 144 TYR QB 1 145 TYR H 0.000 . 5.005 3.688 3.123 3.836 . 0 0 "[ . 1 . 2]" 1
440 1 37 LEU H 1 39 LEU H 0.000 . 5.000 4.361 4.143 4.632 . 0 0 "[ . 1 . 2]" 1
441 1 32 GLY QA 1 35 ALA H 0.000 . 5.138 4.127 3.667 4.322 . 0 0 "[ . 1 . 2]" 1
442 1 50 ARG H 1 62 SER H 0.000 . 5.049 5.009 4.287 5.096 0.047 13 0 "[ . 1 . 2]" 1
443 1 75 GLN H 1 83 LEU QD 0.000 . 5.000 4.353 3.770 5.007 0.007 8 0 "[ . 1 . 2]" 1
444 1 20 LEU H 1 21 GLN QG 0.000 . 5.049 4.109 3.772 4.753 . 0 0 "[ . 1 . 2]" 1
445 1 22 GLU QG 1 23 SER H 0.000 . 5.060 4.204 3.033 4.550 . 0 0 "[ . 1 . 2]" 1
446 1 55 GLN H 1 57 HIS H 0.000 . 5.082 4.221 3.252 5.057 . 0 0 "[ . 1 . 2]" 1
447 1 13 VAL HA 1 17 VAL H 0.000 . 5.082 3.987 3.551 4.717 . 0 0 "[ . 1 . 2]" 1
448 1 69 THR HB 1 70 LYS H 0.000 . 5.082 4.068 3.212 4.548 . 0 0 "[ . 1 . 2]" 1
449 1 98 CYS H 1 99 VAL H 0.000 . 5.115 3.384 2.358 4.607 . 0 0 "[ . 1 . 2]" 1
450 1 19 LYS H 1 21 GLN H 0.000 . 5.126 4.082 3.910 4.254 . 0 0 "[ . 1 . 2]" 1
451 1 55 GLN QB 1 57 HIS H 0.000 . 5.137 4.495 2.670 5.141 0.004 16 0 "[ . 1 . 2]" 1
452 1 48 LEU QD 1 49 ILE H 0.000 . 5.137 2.841 1.940 3.455 . 0 0 "[ . 1 . 2]" 1
453 1 66 GLN H 1 67 SER H 0.000 . 5.170 2.803 1.858 3.685 . 0 0 "[ . 1 . 2]" 1
454 1 66 GLN QG 1 67 SER H 0.000 . 5.170 3.836 1.955 4.812 . 0 0 "[ . 1 . 2]" 1
455 1 17 VAL HA 1 20 LEU H 0.000 . 5.181 3.328 3.207 3.426 . 0 0 "[ . 1 . 2]" 1
456 1 16 ALA HA 1 20 LEU H 0.000 . 5.203 4.001 3.793 4.459 . 0 0 "[ . 1 . 2]" 1
457 1 30 VAL H 1 50 ARG HA 0.000 . 5.225 5.238 5.013 5.276 0.051 5 0 "[ . 1 . 2]" 1
458 1 78 GLY H 1 80 SER H 0.000 . 5.247 4.283 3.785 4.622 . 0 0 "[ . 1 . 2]" 1
459 1 46 THR HB 1 47 PHE H 0.000 . 5.258 3.681 3.022 4.336 . 0 0 "[ . 1 . 2]" 1
460 1 52 SER HA 1 53 SER H 0.000 . 5.000 2.814 2.210 3.588 . 0 0 "[ . 1 . 2]" 1
461 1 14 VAL HA 1 18 ARG H 0.000 . 5.280 4.108 3.683 4.752 . 0 0 "[ . 1 . 2]" 1
462 1 23 SER HA 1 25 PHE H 0.000 . 5.280 4.824 3.920 5.283 0.003 20 0 "[ . 1 . 2]" 1
463 1 99 VAL HB 1 100 LEU H 0.000 . 5.313 3.493 2.792 4.132 . 0 0 "[ . 1 . 2]" 1
464 1 24 GLY QA 1 26 TYR H 0.000 . 5.368 3.636 3.213 4.298 . 0 0 "[ . 1 . 2]" 1
465 1 47 PHE H 1 48 LEU H 0.000 . 5.379 4.488 4.435 4.532 . 0 0 "[ . 1 . 2]" 1
466 1 52 SER H 1 53 SER H 0.000 . 5.500 3.991 2.566 4.704 . 0 0 "[ . 1 . 2]" 1
467 1 10 TYR H 1 12 LEU QB 0.000 . 5.500 5.081 4.643 5.371 . 0 0 "[ . 1 . 2]" 1
468 1 10 TYR H 1 13 VAL QG 0.000 . 5.500 4.634 3.614 5.501 0.001 17 0 "[ . 1 . 2]" 1
469 1 10 TYR H 1 81 PHE QE 0.000 . 5.200 4.925 4.005 5.212 0.012 1 0 "[ . 1 . 2]" 1
470 1 13 VAL H 1 81 PHE QD 0.000 . 5.000 4.961 4.564 5.035 0.035 3 0 "[ . 1 . 2]" 1
471 1 14 VAL H 1 59 PHE QD 0.000 . 5.200 5.231 5.207 5.261 0.061 6 0 "[ . 1 . 2]" 1
472 1 61 LEU MD1 1 83 LEU QD 0.000 . 5.100 4.934 3.348 5.153 0.053 17 0 "[ . 1 . 2]" 1
473 1 61 LEU MD2 1 83 LEU QD 0.000 . 5.100 4.211 1.558 5.112 0.012 6 0 "[ . 1 . 2]" 1
474 1 83 LEU QD 1 157 LEU QD 0.000 . 5.200 4.929 4.302 5.255 0.055 6 0 "[ . 1 . 2]" 1
475 1 42 GLU HA 1 44 ALA H 0.000 . 4.300 4.251 3.986 4.328 0.028 15 0 "[ . 1 . 2]" 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 322
_Distance_constraint_stats_list.Viol_count 996
_Distance_constraint_stats_list.Viol_total 583.735
_Distance_constraint_stats_list.Viol_max 0.218
_Distance_constraint_stats_list.Viol_rms 0.0168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.007 0.007 18 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.077 0.016 4 0 "[ . 1 . 2]"
1 13 VAL 0.065 0.022 19 0 "[ . 1 . 2]"
1 14 VAL 0.017 0.007 18 0 "[ . 1 . 2]"
1 16 ALA 0.031 0.019 10 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 1.360 0.100 19 0 "[ . 1 . 2]"
1 21 GLN 0.118 0.025 3 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.315 0.028 6 0 "[ . 1 . 2]"
1 26 TYR 0.994 0.090 15 0 "[ . 1 . 2]"
1 27 TRP 0.533 0.026 7 0 "[ . 1 . 2]"
1 28 SER 0.205 0.058 13 0 "[ . 1 . 2]"
1 29 ALA 0.748 0.092 2 0 "[ . 1 . 2]"
1 30 VAL 0.115 0.058 13 0 "[ . 1 . 2]"
1 31 THR 0.471 0.062 6 0 "[ . 1 . 2]"
1 32 GLY 0.163 0.030 17 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.538 0.062 6 0 "[ . 1 . 2]"
1 35 ALA 0.840 0.092 2 0 "[ . 1 . 2]"
1 36 ASN 0.693 0.065 13 0 "[ . 1 . 2]"
1 37 LEU 0.055 0.018 19 0 "[ . 1 . 2]"
1 38 LEU 0.124 0.023 5 0 "[ . 1 . 2]"
1 39 LEU 0.044 0.024 16 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.033 0.026 12 0 "[ . 1 . 2]"
1 47 PHE 0.233 0.057 17 0 "[ . 1 . 2]"
1 48 LEU 1.271 0.100 19 0 "[ . 1 . 2]"
1 49 ILE 0.334 0.085 15 0 "[ . 1 . 2]"
1 50 ARG 0.279 0.028 6 0 "[ . 1 . 2]"
1 51 ASP 0.195 0.036 10 0 "[ . 1 . 2]"
1 52 SER 0.036 0.021 9 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 1.917 0.097 2 0 "[ . 1 . 2]"
1 60 THR 0.036 0.021 9 0 "[ . 1 . 2]"
1 61 LEU 0.687 0.085 15 0 "[ . 1 . 2]"
1 62 SER 1.336 0.123 15 0 "[ . 1 . 2]"
1 63 VAL 0.242 0.057 17 0 "[ . 1 . 2]"
1 64 LYS 0.301 0.043 16 0 "[ . 1 . 2]"
1 65 THR 0.006 0.006 20 0 "[ . 1 . 2]"
1 66 GLN 0.110 0.034 14 0 "[ . 1 . 2]"
1 67 SER 0.018 0.009 15 0 "[ . 1 . 2]"
1 68 GLY 0.110 0.034 14 0 "[ . 1 . 2]"
1 69 THR 0.311 0.043 16 0 "[ . 1 . 2]"
1 70 LYS 0.018 0.014 10 0 "[ . 1 . 2]"
1 71 ASN 0.169 0.023 7 0 "[ . 1 . 2]"
1 72 LEU 0.695 0.058 9 0 "[ . 1 . 2]"
1 73 ARG 0.047 0.031 20 0 "[ . 1 . 2]"
1 74 ILE 0.539 0.057 6 0 "[ . 1 . 2]"
1 75 GLN 0.125 0.063 17 0 "[ . 1 . 2]"
1 76 CYS 0.031 0.020 3 0 "[ . 1 . 2]"
1 80 SER 0.153 0.016 4 0 "[ . 1 . 2]"
1 81 PHE 0.364 0.059 3 0 "[ . 1 . 2]"
1 82 SER 0.013 0.006 13 0 "[ . 1 . 2]"
1 83 LEU 0.173 0.076 15 0 "[ . 1 . 2]"
1 84 GLN 0.089 0.023 1 0 "[ . 1 . 2]"
1 93 VAL 0.626 0.100 4 0 "[ . 1 . 2]"
1 96 PHE 1.363 0.100 4 0 "[ . 1 . 2]"
1 98 CYS 0.287 0.147 5 0 "[ . 1 . 2]"
1 99 VAL 1.388 0.097 2 0 "[ . 1 . 2]"
1 100 LEU 1.256 0.147 5 0 "[ . 1 . 2]"
1 101 LYS 0.143 0.037 8 0 "[ . 1 . 2]"
1 102 LEU 0.113 0.063 17 0 "[ . 1 . 2]"
1 103 VAL 0.024 0.024 19 0 "[ . 1 . 2]"
1 104 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 HIS 0.793 0.068 6 0 "[ . 1 . 2]"
1 106 TYR 1.730 0.085 15 0 "[ . 1 . 2]"
1 107 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ALA 2.199 0.218 20 0 "[ . 1 . 2]"
1 144 TYR 1.737 0.123 15 0 "[ . 1 . 2]"
1 145 TYR 5.006 0.218 20 0 "[ . 1 . 2]"
1 146 ILE 1.968 0.145 6 0 "[ . 1 . 2]"
1 147 TYR 3.388 0.218 20 0 "[ . 1 . 2]"
1 148 SER 0.309 0.057 4 0 "[ . 1 . 2]"
1 150 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 GLU 0.141 0.035 17 0 "[ . 1 . 2]"
1 152 LYS 2.585 0.145 6 0 "[ . 1 . 2]"
1 153 ILE 1.980 0.119 4 0 "[ . 1 . 2]"
1 154 PRO 1.823 0.145 6 0 "[ . 1 . 2]"
1 155 LEU 3.469 0.201 2 0 "[ . 1 . 2]"
1 156 VAL 0.018 0.009 15 0 "[ . 1 . 2]"
1 157 LEU 2.844 0.192 7 0 "[ . 1 . 2]"
1 159 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 LEU 0.707 0.100 19 0 "[ . 1 . 2]"
1 162 SER 0.033 0.012 7 0 "[ . 1 . 2]"
1 163 SER 0.155 0.028 6 0 "[ . 1 . 2]"
1 164 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 VAL 0.533 0.065 13 0 "[ . 1 . 2]"
2 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 PTR 0.219 0.023 7 0 "[ . 1 . 2]"
2 9 SER 0.173 0.020 11 0 "[ . 1 . 2]"
2 10 THR 0.006 0.006 20 0 "[ . 1 . 2]"
2 11 VAL 4.680 0.192 7 0 "[ . 1 . 2]"
2 12 VAL 1.843 0.128 12 0 "[ . 1 . 2]"
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 13 VAL H 1 59 PHE QE 0.000 . 5.000 4.639 4.189 5.022 0.022 19 0 "[ . 1 . 2]" 2
2 1 16 ALA H 1 59 PHE QE 0.000 . 5.000 3.895 3.172 4.867 . 0 0 "[ . 1 . 2]" 2
3 1 17 VAL H 1 59 PHE QE 0.000 . 5.000 3.292 2.545 4.088 . 0 0 "[ . 1 . 2]" 2
4 1 45 GLY H 1 64 LYS QD 0.000 . 5.000 2.972 1.838 4.293 . 0 0 "[ . 1 . 2]" 2
5 1 46 THR H 1 64 LYS QD 0.000 . 5.000 4.472 2.997 5.026 0.026 12 0 "[ . 1 . 2]" 2
6 1 25 PHE HA 1 163 SER H 0.000 . 5.000 3.787 2.220 4.029 . 0 0 "[ . 1 . 2]" 2
7 1 38 LEU QD 1 48 LEU QD 0.000 . 4.000 2.520 1.787 3.179 . 0 0 "[ . 1 . 2]" 2
8 1 72 LEU QD 1 83 LEU QD 0.000 . 5.000 2.557 1.602 3.547 . 0 0 "[ . 1 . 2]" 2
9 1 10 TYR QE 1 14 VAL MG1 0.000 . 5.000 4.246 3.104 4.997 . 0 0 "[ . 1 . 2]" 2
10 1 10 TYR QE 1 14 VAL MG2 0.000 . 5.000 3.814 1.891 5.007 0.007 18 0 "[ . 1 . 2]" 2
11 1 9 GLU HA 1 12 LEU QD 0.000 . 5.000 1.986 1.740 3.388 . 0 0 "[ . 1 . 2]" 2
12 1 93 VAL H 1 96 PHE HA 0.000 . 4.500 4.517 4.255 4.600 0.100 4 0 "[ . 1 . 2]" 2
13 1 93 VAL HB 1 96 PHE H 0.000 . 5.500 5.019 3.846 5.536 0.036 17 0 "[ . 1 . 2]" 2
14 1 36 ASN H 1 37 LEU MD2 0.000 . 5.500 5.059 3.965 5.344 . 0 0 "[ . 1 . 2]" 2
15 1 28 SER H 1 50 ARG HA 0.000 . 5.500 5.173 4.070 5.520 0.020 8 0 "[ . 1 . 2]" 2
16 1 27 TRP HD1 1 49 ILE H 0.000 . 5.000 3.601 2.597 5.014 0.014 13 0 "[ . 1 . 2]" 2
17 1 48 LEU H 1 63 VAL QG 0.000 . 5.000 4.248 3.211 5.003 0.003 4 0 "[ . 1 . 2]" 2
18 1 58 PHE QR 1 73 ARG HA 0.000 . 5.000 3.503 2.547 4.310 . 0 0 "[ . 1 . 2]" 2
19 1 74 ILE H 1 83 LEU QD 0.000 . 5.000 3.773 2.629 4.904 . 0 0 "[ . 1 . 2]" 2
20 1 74 ILE H 1 99 VAL QG 0.000 . 4.500 4.488 4.302 4.557 0.057 6 0 "[ . 1 . 2]" 2
21 1 27 TRP H 1 48 LEU QD 0.000 . 5.500 3.347 1.928 4.563 . 0 0 "[ . 1 . 2]" 2
22 1 74 ILE HA 1 75 GLN H 0.000 . 4.500 2.260 2.204 2.305 . 0 0 "[ . 1 . 2]" 2
23 1 75 GLN HB3 1 82 SER H 0.000 . 5.500 4.052 2.944 5.504 0.004 13 0 "[ . 1 . 2]" 2
24 1 75 GLN HB2 1 82 SER H 0.000 . 5.500 4.428 3.283 5.500 0.000 18 0 "[ . 1 . 2]" 2
25 1 75 GLN QG 1 82 SER H 0.000 . 5.500 5.029 4.135 5.506 0.006 13 0 "[ . 1 . 2]" 2
26 1 14 VAL QG 1 16 ALA MB 0.000 . 5.500 4.970 4.672 5.180 . 0 0 "[ . 1 . 2]" 2
27 1 35 ALA MB 1 48 LEU MD1 0.000 . 4.000 3.495 2.552 4.030 0.030 8 0 "[ . 1 . 2]" 2
28 1 35 ALA MB 1 48 LEU MD2 0.000 . 4.000 3.008 1.956 4.029 0.029 10 0 "[ . 1 . 2]" 2
29 1 35 ALA HA 1 48 LEU QD 0.000 . 5.500 3.738 3.123 4.327 . 0 0 "[ . 1 . 2]" 2
30 1 35 ALA HA 1 38 LEU MD2 0.000 . 4.500 2.199 1.690 3.090 . 0 0 "[ . 1 . 2]" 2
31 1 14 VAL HA 1 17 VAL QG 0.000 . 5.000 2.413 1.669 3.075 . 0 0 "[ . 1 . 2]" 2
32 1 39 LEU MD1 1 48 LEU QD 0.000 . 5.000 3.607 1.715 5.024 0.024 16 0 "[ . 1 . 2]" 2
33 1 39 LEU MD2 1 48 LEU QD 0.000 . 5.000 2.535 1.631 3.925 . 0 0 "[ . 1 . 2]" 2
34 1 38 LEU QD 1 39 LEU MD1 0.000 . 5.000 4.464 3.690 4.965 . 0 0 "[ . 1 . 2]" 2
35 1 38 LEU QD 1 39 LEU MD2 0.000 . 5.000 3.683 1.774 4.654 . 0 0 "[ . 1 . 2]" 2
36 1 39 LEU QB 1 48 LEU QD 0.000 . 5.000 2.970 1.640 4.689 . 0 0 "[ . 1 . 2]" 2
37 1 39 LEU HG 1 48 LEU QD 0.000 . 5.000 3.864 2.545 4.942 . 0 0 "[ . 1 . 2]" 2
38 1 39 LEU QD 1 48 LEU H 0.000 . 5.500 2.101 1.716 3.817 . 0 0 "[ . 1 . 2]" 2
39 1 39 LEU QD 1 46 THR MG 0.000 . 5.500 3.333 1.826 4.106 . 0 0 "[ . 1 . 2]" 2
40 1 61 LEU HG 1 72 LEU H 0.000 . 5.500 5.020 3.263 5.558 0.058 9 0 "[ . 1 . 2]" 2
41 1 61 LEU QB 1 72 LEU H 0.000 . 5.500 4.782 3.329 5.543 0.043 17 0 "[ . 1 . 2]" 2
42 1 28 SER H 1 30 VAL QG 0.000 . 5.200 4.585 3.159 5.258 0.058 13 0 "[ . 1 . 2]" 2
43 1 29 ALA H 1 30 VAL MG1 0.000 . 5.500 4.615 3.656 5.315 . 0 0 "[ . 1 . 2]" 2
44 1 29 ALA H 1 30 VAL MG2 0.000 . 5.500 3.052 2.187 4.432 . 0 0 "[ . 1 . 2]" 2
45 1 27 TRP H 1 49 ILE H 0.000 . 5.500 3.509 2.968 4.263 . 0 0 "[ . 1 . 2]" 2
46 1 31 THR H 1 34 GLU HA 0.000 . 5.000 4.995 4.723 5.062 0.062 6 0 "[ . 1 . 2]" 2
47 1 35 ALA H 1 48 LEU QD 0.000 . 5.500 4.902 4.158 5.512 0.012 4 0 "[ . 1 . 2]" 2
48 1 30 VAL MG1 1 35 ALA H 0.000 . 5.500 4.545 3.940 5.511 0.011 6 0 "[ . 1 . 2]" 2
49 1 30 VAL MG2 1 35 ALA H 0.000 . 5.500 3.760 2.791 4.310 . 0 0 "[ . 1 . 2]" 2
50 1 37 LEU QD 1 63 VAL H 0.000 . 5.000 4.646 4.623 4.696 . 0 0 "[ . 1 . 2]" 2
51 1 14 VAL QG 1 17 VAL QG 0.000 . 5.500 3.087 2.330 3.554 . 0 0 "[ . 1 . 2]" 2
52 1 75 GLN H 1 102 LEU QD 0.000 . 5.000 4.552 3.437 5.063 0.063 17 0 "[ . 1 . 2]" 2
53 1 81 PHE QD 1 99 VAL QG 0.000 . 4.500 2.511 1.552 3.892 . 0 0 "[ . 1 . 2]" 2
54 1 81 PHE QE 1 99 VAL QG 0.000 . 4.500 2.813 1.729 3.833 . 0 0 "[ . 1 . 2]" 2
55 1 81 PHE QE 1 99 VAL MG1 0.000 . 4.500 4.072 1.816 4.559 0.059 3 0 "[ . 1 . 2]" 2
56 1 81 PHE QE 1 99 VAL MG2 0.000 . 4.500 3.017 1.730 4.303 . 0 0 "[ . 1 . 2]" 2
57 1 81 PHE QD 1 99 VAL HB 0.000 . 4.000 2.928 1.826 3.848 . 0 0 "[ . 1 . 2]" 2
58 1 81 PHE QE 1 99 VAL HB 0.000 . 4.000 3.738 2.927 4.028 0.028 8 0 "[ . 1 . 2]" 2
59 1 81 PHE QR 1 99 VAL H 0.000 . 5.500 2.814 1.963 3.901 . 0 0 "[ . 1 . 2]" 2
60 1 10 TYR QD 1 14 VAL QG 0.000 . 5.000 2.661 1.885 3.800 . 0 0 "[ . 1 . 2]" 2
61 1 11 GLN HA 1 14 VAL QG 0.000 . 4.500 2.698 1.750 3.321 . 0 0 "[ . 1 . 2]" 2
62 1 10 TYR QD 1 11 GLN HA 0.000 . 5.000 3.141 2.583 3.910 . 0 0 "[ . 1 . 2]" 2
63 1 48 LEU H 1 61 LEU QD 0.000 . 5.500 3.090 2.126 5.531 0.031 15 0 "[ . 1 . 2]" 2
64 1 16 ALA MB 1 99 VAL MG1 0.000 . 3.500 2.109 1.548 3.483 . 0 0 "[ . 1 . 2]" 2
65 1 16 ALA MB 1 99 VAL MG2 0.000 . 3.500 2.909 1.720 3.507 0.007 14 0 "[ . 1 . 2]" 2
66 1 26 TYR QE 1 49 ILE MG 0.000 . 3.200 2.724 2.141 3.212 0.012 4 0 "[ . 1 . 2]" 2
67 1 26 TYR QD 1 49 ILE MG 0.000 . 3.200 2.520 2.033 3.207 0.007 2 0 "[ . 1 . 2]" 2
68 1 20 LEU MD1 1 49 ILE MG 0.000 . 4.500 3.485 2.626 4.500 . 0 0 "[ . 1 . 2]" 2
69 1 20 LEU MD1 1 49 ILE MD 0.000 . 4.000 3.615 2.217 4.009 0.009 17 0 "[ . 1 . 2]" 2
70 1 20 LEU MD2 1 49 ILE MD 0.000 . 4.000 2.663 1.704 4.005 0.005 10 0 "[ . 1 . 2]" 2
71 1 20 LEU MD2 1 49 ILE MG 0.000 . 4.500 2.206 1.665 3.836 . 0 0 "[ . 1 . 2]" 2
72 1 20 LEU QD 1 99 VAL MG1 0.000 . 5.000 3.622 1.997 5.006 0.006 8 0 "[ . 1 . 2]" 2
73 1 20 LEU QD 1 99 VAL MG2 0.000 . 5.000 4.019 2.048 5.027 0.027 5 0 "[ . 1 . 2]" 2
74 1 20 LEU MD1 1 99 VAL QG 0.000 . 5.500 3.979 1.907 5.499 . 0 0 "[ . 1 . 2]" 2
75 1 20 LEU MD2 1 99 VAL QG 0.000 . 5.500 3.818 2.032 5.503 0.003 4 0 "[ . 1 . 2]" 2
76 1 20 LEU QD 1 26 TYR QE 0.000 . 4.500 3.026 2.200 4.064 . 0 0 "[ . 1 . 2]" 2
77 1 20 LEU MD1 1 26 TYR QD 0.000 . 4.500 3.675 2.589 4.528 0.028 12 0 "[ . 1 . 2]" 2
78 1 20 LEU MD2 1 26 TYR QD 0.000 . 4.500 2.646 1.811 4.024 . 0 0 "[ . 1 . 2]" 2
79 1 25 PHE HA 1 26 TYR QE 0.000 . 4.000 3.266 2.091 3.837 . 0 0 "[ . 1 . 2]" 2
80 1 25 PHE HA 1 26 TYR QD 0.000 . 4.500 4.254 3.501 4.521 0.021 2 0 "[ . 1 . 2]" 2
81 1 13 VAL MG1 1 59 PHE QE 0.000 . 4.000 3.089 1.882 4.014 0.014 7 0 "[ . 1 . 2]" 2
82 1 13 VAL MG2 1 59 PHE QE 0.000 . 4.000 2.732 1.804 4.001 0.001 2 0 "[ . 1 . 2]" 2
83 1 13 VAL QG 1 59 PHE QD 0.000 . 5.500 2.100 1.652 3.442 . 0 0 "[ . 1 . 2]" 2
84 1 51 ASP HA 1 59 PHE QD 0.000 . 4.500 4.399 4.064 4.536 0.036 10 0 "[ . 1 . 2]" 2
85 1 13 VAL HB 1 59 PHE QE 0.000 . 5.000 3.868 2.430 4.773 . 0 0 "[ . 1 . 2]" 2
86 1 59 PHE QD 1 99 VAL QG 0.000 . 5.500 3.318 2.727 4.120 . 0 0 "[ . 1 . 2]" 2
87 1 59 PHE QD 1 99 VAL HB 0.000 . 5.500 5.367 3.447 5.597 0.097 2 0 "[ . 1 . 2]" 2
88 1 20 LEU QD 1 59 PHE QD 0.000 . 4.000 3.868 3.525 4.025 0.025 9 0 "[ . 1 . 2]" 2
89 1 20 LEU QD 1 59 PHE QE 0.000 . 4.000 3.326 1.827 4.022 0.022 6 0 "[ . 1 . 2]" 2
90 1 49 ILE MG 1 59 PHE QE 0.000 . 5.500 4.489 2.511 5.492 . 0 0 "[ . 1 . 2]" 2
91 1 49 ILE MG 1 59 PHE QD 0.000 . 5.000 3.704 3.009 4.274 . 0 0 "[ . 1 . 2]" 2
92 1 26 TYR QE 1 59 PHE QD 0.000 . 5.000 3.831 3.360 5.054 0.054 15 0 "[ . 1 . 2]" 2
93 1 26 TYR QE 1 59 PHE QE 0.000 . 5.000 4.825 4.059 5.039 0.039 6 0 "[ . 1 . 2]" 2
94 1 26 TYR QE 1 59 PHE QE 0.000 . 5.500 4.630 3.597 4.856 . 0 0 "[ . 1 . 2]" 2
95 1 20 LEU QD 1 26 TYR QD 0.000 . 5.500 2.459 1.799 3.261 . 0 0 "[ . 1 . 2]" 2
96 1 26 TYR QD 1 49 ILE HB 0.000 . 5.500 4.276 3.635 4.974 . 0 0 "[ . 1 . 2]" 2
97 1 26 TYR QE 1 49 ILE HB 0.000 . 5.500 4.097 3.076 5.114 . 0 0 "[ . 1 . 2]" 2
98 1 21 GLN HA 1 26 TYR QD 0.000 . 4.500 3.310 2.621 3.732 . 0 0 "[ . 1 . 2]" 2
99 1 21 GLN HA 1 26 TYR QE 0.000 . 5.500 5.256 4.401 5.517 0.017 10 0 "[ . 1 . 2]" 2
100 1 30 VAL MG2 1 38 LEU QD 0.000 . 3.800 2.241 1.756 2.945 . 0 0 "[ . 1 . 2]" 2
101 1 30 VAL MG1 1 38 LEU QD 0.000 . 3.800 2.481 1.683 3.425 . 0 0 "[ . 1 . 2]" 2
102 1 13 VAL QG 1 17 VAL QG 0.000 . 4.500 2.299 1.735 3.328 . 0 0 "[ . 1 . 2]" 2
103 1 14 VAL HA 1 17 VAL MG1 0.000 . 5.500 3.422 1.829 4.122 . 0 0 "[ . 1 . 2]" 2
104 1 14 VAL HA 1 17 VAL MG2 0.000 . 5.500 2.525 1.678 3.256 . 0 0 "[ . 1 . 2]" 2
105 1 14 VAL HA 1 17 VAL HB 0.000 . 5.000 3.155 2.347 4.439 . 0 0 "[ . 1 . 2]" 2
106 1 17 VAL QG 1 59 PHE QE 0.000 . 3.500 2.579 1.961 3.460 . 0 0 "[ . 1 . 2]" 2
107 1 16 ALA MB 1 59 PHE QE 0.000 . 3.500 2.146 1.629 2.892 . 0 0 "[ . 1 . 2]" 2
108 1 47 PHE HA 1 63 VAL QG 0.000 . 5.000 3.020 1.925 3.832 . 0 0 "[ . 1 . 2]" 2
109 1 12 LEU MD1 1 80 SER H 0.000 . 5.000 4.604 3.314 5.007 0.007 12 0 "[ . 1 . 2]" 2
110 1 12 LEU MD2 1 80 SER H 0.000 . 5.000 4.853 3.983 5.016 0.016 4 0 "[ . 1 . 2]" 2
111 1 96 PHE QD 1 100 LEU MD1 0.000 . 4.500 4.226 2.933 4.533 0.033 17 0 "[ . 1 . 2]" 2
112 1 96 PHE QD 1 100 LEU MD2 0.000 . 4.500 4.362 3.724 4.563 0.063 3 0 "[ . 1 . 2]" 2
113 1 96 PHE QE 1 100 LEU MD1 0.000 . 5.500 3.810 1.717 5.330 . 0 0 "[ . 1 . 2]" 2
114 1 96 PHE QE 1 100 LEU MD2 0.000 . 5.500 4.114 2.471 5.392 . 0 0 "[ . 1 . 2]" 2
115 1 35 ALA H 1 37 LEU QD 0.000 . 5.500 4.772 4.316 5.182 . 0 0 "[ . 1 . 2]" 2
116 1 35 ALA H 1 37 LEU H 0.000 . 5.000 4.054 3.865 4.177 . 0 0 "[ . 1 . 2]" 2
117 1 36 ASN H 1 38 LEU H 0.000 . 5.500 4.109 4.018 4.270 . 0 0 "[ . 1 . 2]" 2
118 1 33 GLY H 1 35 ALA H 0.000 . 5.500 4.187 3.944 4.410 . 0 0 "[ . 1 . 2]" 2
119 1 12 LEU H 1 14 VAL H 0.000 . 5.500 4.226 4.032 4.357 . 0 0 "[ . 1 . 2]" 2
120 1 14 VAL H 1 16 ALA H 0.000 . 5.500 4.233 4.021 4.512 . 0 0 "[ . 1 . 2]" 2
121 1 17 VAL H 1 19 LYS H 0.000 . 5.500 4.397 4.285 4.553 . 0 0 "[ . 1 . 2]" 2
122 1 38 LEU H 1 40 SER H 0.000 . 5.000 4.272 3.974 4.500 . 0 0 "[ . 1 . 2]" 2
123 1 99 VAL H 1 101 LYS H 0.000 . 5.500 4.496 4.117 4.972 . 0 0 "[ . 1 . 2]" 2
124 1 98 CYS H 1 100 LEU H 0.000 . 5.000 4.212 2.911 5.147 0.147 5 0 "[ . 1 . 2]" 2
125 1 102 LEU H 1 104 HIS H 0.000 . 5.500 4.357 4.272 4.454 . 0 0 "[ . 1 . 2]" 2
126 1 96 PHE QR 1 101 LYS H 0.000 . 5.000 4.037 1.788 5.037 0.037 8 0 "[ . 1 . 2]" 2
127 1 103 VAL H 1 105 HIS H 0.000 . 5.500 4.323 3.949 4.646 . 0 0 "[ . 1 . 2]" 2
128 1 99 VAL HA 1 102 LEU H 0.000 . 5.000 3.327 3.020 3.639 . 0 0 "[ . 1 . 2]" 2
129 1 74 ILE MD 1 99 VAL MG1 0.000 . 4.500 3.968 1.989 4.537 0.037 1 0 "[ . 1 . 2]" 2
130 1 74 ILE MD 1 99 VAL MG2 0.000 . 4.500 2.970 1.807 4.390 . 0 0 "[ . 1 . 2]" 2
131 1 74 ILE MG 1 99 VAL QG 0.000 . 5.500 2.549 1.716 3.365 . 0 0 "[ . 1 . 2]" 2
132 1 17 VAL QG 1 21 GLN H 0.000 . 5.000 3.610 3.111 4.316 . 0 0 "[ . 1 . 2]" 2
133 1 17 VAL QG 1 21 GLN HE21 0.000 . 4.500 2.254 1.729 4.266 . 0 0 "[ . 1 . 2]" 2
134 1 17 VAL QG 1 21 GLN HE22 0.000 . 4.500 2.720 2.228 3.844 . 0 0 "[ . 1 . 2]" 2
135 1 17 VAL QG 1 20 LEU QD 0.000 . 5.500 3.235 2.414 3.975 . 0 0 "[ . 1 . 2]" 2
136 1 14 VAL QG 1 21 GLN HE21 0.000 . 5.500 5.239 4.803 5.506 0.006 12 0 "[ . 1 . 2]" 2
137 1 14 VAL QG 1 21 GLN HE22 0.000 . 5.500 4.928 4.391 5.496 . 0 0 "[ . 1 . 2]" 2
138 1 34 GLU HA 1 36 ASN QD 0.000 . 5.500 5.141 4.141 5.512 0.012 19 0 "[ . 1 . 2]" 2
139 1 35 ALA HA 1 36 ASN QD 0.000 . 5.500 5.416 5.182 5.562 0.062 5 0 "[ . 1 . 2]" 2
140 1 35 ALA MB 1 38 LEU QD 0.000 . 4.500 3.265 2.756 4.056 . 0 0 "[ . 1 . 2]" 2
141 1 47 PHE HA 1 63 VAL MG1 0.000 . 5.500 4.106 2.519 5.257 . 0 0 "[ . 1 . 2]" 2
142 1 47 PHE HA 1 63 VAL MG2 0.000 . 5.500 3.854 1.927 5.426 . 0 0 "[ . 1 . 2]" 2
143 1 47 PHE HA 1 157 LEU QD 0.000 . 5.500 4.100 3.353 4.985 . 0 0 "[ . 1 . 2]" 2
144 1 63 VAL MG1 1 64 LYS H 0.000 . 5.000 3.430 2.628 4.069 . 0 0 "[ . 1 . 2]" 2
145 1 63 VAL MG2 1 64 LYS H 0.000 . 5.000 2.367 1.756 3.442 . 0 0 "[ . 1 . 2]" 2
146 1 62 SER HA 1 63 VAL QG 0.000 . 5.000 3.411 2.769 4.138 . 0 0 "[ . 1 . 2]" 2
147 1 153 ILE H 1 155 LEU QD 0.000 . 5.000 4.222 3.715 5.040 0.040 2 0 "[ . 1 . 2]" 2
148 1 38 LEU H 1 38 LEU QD 0.000 . 5.000 3.246 3.011 3.632 . 0 0 "[ . 1 . 2]" 2
149 1 146 ILE MG 1 153 ILE MD 0.000 . 5.000 4.505 3.899 4.991 . 0 0 "[ . 1 . 2]" 2
150 1 83 LEU QD 1 102 LEU MD1 0.000 . 5.000 2.052 1.486 3.347 . 0 0 "[ . 1 . 2]" 2
151 1 83 LEU QD 1 102 LEU MD2 0.000 . 5.000 2.489 1.468 3.854 . 0 0 "[ . 1 . 2]" 2
152 1 27 TRP HE1 1 161 LEU QD 0.000 . 5.000 2.106 1.652 3.034 . 0 0 "[ . 1 . 2]" 2
153 1 27 TRP HE1 1 161 LEU H 0.000 . 5.500 5.190 4.582 5.505 0.005 2 0 "[ . 1 . 2]" 2
154 1 25 PHE HA 1 163 SER H 0.000 . 4.000 3.786 2.220 4.028 0.028 6 0 "[ . 1 . 2]" 2
155 1 27 TRP HD1 1 163 SER H 0.000 . 5.000 4.108 1.908 5.023 0.023 13 0 "[ . 1 . 2]" 2
156 1 162 SER H 1 163 SER H 0.000 . 5.000 4.037 3.462 4.601 . 0 0 "[ . 1 . 2]" 2
157 1 163 SER H 1 164 ASN H 0.000 . 5.000 3.717 2.012 4.703 . 0 0 "[ . 1 . 2]" 2
158 1 27 TRP HD1 1 162 SER H 0.000 . 5.000 4.118 2.918 5.012 0.012 7 0 "[ . 1 . 2]" 2
159 1 27 TRP HE1 1 162 SER H 0.000 . 5.500 4.233 2.644 5.510 0.010 12 0 "[ . 1 . 2]" 2
160 1 76 CYS HA 1 81 PHE HA 0.000 . 2.800 2.517 1.939 2.820 0.020 3 0 "[ . 1 . 2]" 2
161 1 76 CYS HA 1 81 PHE QD 0.000 . 5.500 2.352 1.789 3.173 . 0 0 "[ . 1 . 2]" 2
162 1 49 ILE HA 1 61 LEU HA 0.000 . 2.800 2.218 1.883 2.885 0.085 15 0 "[ . 1 . 2]" 2
163 1 48 LEU H 1 63 VAL HA 0.000 . 4.500 4.060 3.197 4.349 . 0 0 "[ . 1 . 2]" 2
164 1 51 ASP HA 1 59 PHE HA 0.000 . 2.800 2.235 1.862 2.762 . 0 0 "[ . 1 . 2]" 2
165 1 47 PHE HA 1 63 VAL HA 0.000 . 2.800 2.679 2.341 2.857 0.057 17 0 "[ . 1 . 2]" 2
166 1 26 TYR HA 1 26 TYR QD 0.000 . 3.500 2.893 2.000 3.154 . 0 0 "[ . 1 . 2]" 2
167 1 52 SER H 1 60 THR H 0.000 . 4.400 3.936 2.883 4.421 0.021 9 0 "[ . 1 . 2]" 2
168 1 62 SER HA 1 72 LEU H 0.000 . 4.500 3.660 2.858 4.452 . 0 0 "[ . 1 . 2]" 2
169 1 62 SER HA 1 71 ASN HA 0.000 . 4.800 2.625 1.891 3.725 . 0 0 "[ . 1 . 2]" 2
170 1 61 LEU H 1 73 ARG HA 0.000 . 5.000 3.981 2.549 5.031 0.031 20 0 "[ . 1 . 2]" 2
171 1 65 THR H 1 69 THR HA 0.000 . 4.000 3.441 2.566 4.006 0.006 20 0 "[ . 1 . 2]" 2
172 1 64 LYS HA 1 69 THR HA 0.000 . 2.800 2.787 2.394 2.843 0.043 16 0 "[ . 1 . 2]" 2
173 1 21 GLN QB 1 26 TYR QD 0.000 . 4.000 3.383 2.591 4.025 0.025 3 0 "[ . 1 . 2]" 2
174 1 21 GLN QG 1 26 TYR QD 0.000 . 5.500 4.005 1.790 5.222 . 0 0 "[ . 1 . 2]" 2
175 1 21 GLN HA 1 26 TYR H 0.000 . 5.500 3.178 1.842 3.946 . 0 0 "[ . 1 . 2]" 2
176 1 25 PHE QD 1 49 ILE H 0.000 . 5.500 4.507 3.484 5.509 0.009 20 0 "[ . 1 . 2]" 2
177 1 27 TRP HD1 1 49 ILE H 0.000 . 5.000 3.585 2.596 4.894 . 0 0 "[ . 1 . 2]" 2
178 1 27 TRP H 1 49 ILE MD 0.000 . 5.000 2.896 1.843 3.826 . 0 0 "[ . 1 . 2]" 2
179 1 27 TRP HE1 1 48 LEU QD 0.000 . 5.000 2.963 1.743 3.529 . 0 0 "[ . 1 . 2]" 2
180 1 27 TRP HE1 1 48 LEU HG 0.000 . 5.000 4.642 2.814 5.025 0.025 11 0 "[ . 1 . 2]" 2
181 1 27 TRP H 1 49 ILE MG 0.000 . 5.000 2.917 1.845 3.879 . 0 0 "[ . 1 . 2]" 2
182 1 27 TRP HE1 1 48 LEU HA 0.000 . 5.500 4.966 3.786 5.523 0.023 12 0 "[ . 1 . 2]" 2
183 1 27 TRP HD1 1 48 LEU MD1 0.000 . 4.500 2.686 1.787 3.708 . 0 0 "[ . 1 . 2]" 2
184 1 27 TRP HD1 1 48 LEU MD2 0.000 . 4.500 4.198 2.990 4.526 0.026 7 0 "[ . 1 . 2]" 2
185 1 27 TRP HD1 1 49 ILE MG 0.000 . 5.000 4.431 3.481 5.013 0.013 10 0 "[ . 1 . 2]" 2
186 1 27 TRP HD1 1 161 LEU QD 0.000 . 5.500 3.110 1.672 5.019 . 0 0 "[ . 1 . 2]" 2
187 1 27 TRP HZ2 1 161 LEU QD 0.000 . 4.000 2.907 1.966 4.004 0.004 4 0 "[ . 1 . 2]" 2
188 1 27 TRP HE1 1 161 LEU MD1 0.000 . 4.500 3.395 1.680 4.507 0.007 7 0 "[ . 1 . 2]" 2
189 1 27 TRP HE1 1 161 LEU MD2 0.000 . 4.500 2.574 1.735 4.443 . 0 0 "[ . 1 . 2]" 2
190 1 27 TRP HH2 1 48 LEU QD 0.000 . 5.500 4.815 3.437 5.522 0.022 12 0 "[ . 1 . 2]" 2
191 1 27 TRP HH2 1 38 LEU QD 0.000 . 5.000 4.126 1.825 5.020 0.020 10 0 "[ . 1 . 2]" 2
192 1 27 TRP HZ2 1 38 LEU QD 0.000 . 5.000 4.720 3.121 5.023 0.023 5 0 "[ . 1 . 2]" 2
193 1 27 TRP HZ2 1 48 LEU QD 0.000 . 5.500 3.967 1.982 4.648 . 0 0 "[ . 1 . 2]" 2
194 1 27 TRP HA 1 27 TRP HD1 0.000 . 4.000 3.643 3.226 4.008 0.008 2 0 "[ . 1 . 2]" 2
195 1 83 LEU QD 1 106 TYR QE 0.000 . 4.000 2.772 2.111 4.076 0.076 15 0 "[ . 1 . 2]" 2
196 1 106 TYR QD 1 157 LEU QD 0.000 . 5.000 2.650 1.881 3.442 . 0 0 "[ . 1 . 2]" 2
197 1 61 LEU QD 1 106 TYR QE 0.000 . 4.000 2.503 1.751 3.220 . 0 0 "[ . 1 . 2]" 2
198 1 62 SER HA 1 106 TYR QD 0.000 . 5.200 5.142 4.561 5.240 0.040 8 0 "[ . 1 . 2]" 2
199 1 62 SER HA 1 106 TYR QE 0.000 . 4.200 3.965 3.583 4.252 0.052 15 0 "[ . 1 . 2]" 2
200 1 106 TYR QE 1 144 TYR QE 0.000 . 4.500 2.738 2.314 3.877 . 0 0 "[ . 1 . 2]" 2
201 1 106 TYR QE 1 144 TYR QD 0.000 . 4.500 4.332 3.027 4.552 0.052 10 0 "[ . 1 . 2]" 2
202 1 13 VAL QG 1 81 PHE QE 0.000 . 5.000 2.330 1.743 3.391 . 0 0 "[ . 1 . 2]" 2
203 1 20 LEU MD1 1 100 LEU QD 0.000 . 5.000 4.579 2.952 5.032 0.032 19 0 "[ . 1 . 2]" 2
204 1 20 LEU MD2 1 100 LEU QD 0.000 . 5.000 4.941 4.402 5.048 0.048 17 0 "[ . 1 . 2]" 2
205 1 76 CYS HA 1 82 SER H 0.000 . 5.000 3.757 3.166 4.187 . 0 0 "[ . 1 . 2]" 2
206 1 58 PHE QE 1 73 ARG H 0.000 . 5.500 4.993 4.167 5.497 . 0 0 "[ . 1 . 2]" 2
207 1 17 VAL HA 1 20 LEU QD 0.000 . 5.000 2.905 2.055 3.431 . 0 0 "[ . 1 . 2]" 2
208 1 61 LEU H 1 72 LEU H 0.000 . 5.000 3.401 2.347 4.325 . 0 0 "[ . 1 . 2]" 2
209 1 66 GLN QB 1 68 GLY H 0.000 . 5.500 4.497 2.601 5.482 . 0 0 "[ . 1 . 2]" 2
210 1 65 THR H 1 68 GLY H 0.000 . 5.500 3.515 2.602 4.214 . 0 0 "[ . 1 . 2]" 2
211 1 65 THR HG1 1 68 GLY H 0.000 . 5.200 3.343 1.902 4.994 . 0 0 "[ . 1 . 2]" 2
212 1 66 GLN HA 1 68 GLY H 0.000 . 5.000 4.501 3.395 5.034 0.034 14 0 "[ . 1 . 2]" 2
213 1 51 ASP HA 1 60 THR H 0.000 . 4.500 3.698 2.889 4.038 . 0 0 "[ . 1 . 2]" 2
214 1 37 LEU QD 1 69 THR H 0.000 . 5.200 4.507 3.867 5.218 0.018 19 0 "[ . 1 . 2]" 2
215 1 37 LEU QD 1 70 LYS H 0.000 . 4.500 4.096 3.697 4.514 0.014 10 0 "[ . 1 . 2]" 2
216 1 145 TYR QE 1 147 TYR H 0.000 . 4.800 4.343 2.864 5.018 0.218 20 0 "[ . 1 . 2]" 2
217 1 25 PHE QD 1 48 LEU HA 0.000 . 4.500 3.990 2.615 4.526 0.026 2 0 "[ . 1 . 2]" 2
218 1 26 TYR H 1 26 TYR QD 0.000 . 5.000 4.149 3.820 4.264 . 0 0 "[ . 1 . 2]" 2
219 1 26 TYR QD 1 27 TRP H 0.000 . 4.000 2.704 1.768 3.331 . 0 0 "[ . 1 . 2]" 2
220 1 26 TYR QE 1 29 ALA H 0.000 . 5.500 5.406 4.604 5.590 0.090 15 0 "[ . 1 . 2]" 2
221 1 26 TYR QE 1 28 SER H 0.000 . 5.500 4.658 3.738 5.528 0.028 6 0 "[ . 1 . 2]" 2
222 1 21 GLN H 1 23 SER H 0.000 . 5.500 4.253 4.105 4.523 . 0 0 "[ . 1 . 2]" 2
223 1 13 VAL HA 1 16 ALA MB 0.000 . 5.000 2.735 2.467 3.152 . 0 0 "[ . 1 . 2]" 2
224 1 16 ALA MB 1 100 LEU QD 0.000 . 5.000 2.988 1.629 5.019 0.019 10 0 "[ . 1 . 2]" 2
225 1 30 VAL MG1 1 35 ALA MB 0.000 . 5.000 3.468 3.196 3.973 . 0 0 "[ . 1 . 2]" 2
226 1 30 VAL MG2 1 35 ALA MB 0.000 . 5.000 1.761 1.616 2.412 . 0 0 "[ . 1 . 2]" 2
227 1 147 TYR HA 1 152 LYS HA 0.000 . 3.500 2.206 1.802 2.815 . 0 0 "[ . 1 . 2]" 2
228 1 148 SER H 1 152 LYS HA 0.000 . 4.200 3.378 3.008 4.223 0.023 4 0 "[ . 1 . 2]" 2
229 1 146 ILE H 1 152 LYS HA 0.000 . 4.200 4.252 3.812 4.345 0.145 6 0 "[ . 1 . 2]" 2
230 1 61 LEU QD 1 157 LEU MD1 0.000 . 3.500 2.975 1.689 3.512 0.012 15 0 "[ . 1 . 2]" 2
231 1 61 LEU QD 1 157 LEU MD2 0.000 . 3.500 2.999 1.797 3.553 0.053 7 0 "[ . 1 . 2]" 2
232 1 47 PHE QR 1 159 ARG H 0.000 . 5.000 2.471 1.612 4.451 . 0 0 "[ . 1 . 2]" 2
233 1 48 LEU QD 1 161 LEU QD 0.000 . 4.500 2.623 1.721 4.172 . 0 0 "[ . 1 . 2]" 2
234 1 26 TYR H 1 49 ILE MG 0.000 . 5.000 4.858 4.264 5.037 0.037 9 0 "[ . 1 . 2]" 2
235 1 20 LEU QD 1 48 LEU HG 0.000 . 5.500 5.534 5.501 5.600 0.100 19 0 "[ . 1 . 2]" 2
236 1 63 VAL HB 1 157 LEU QD 0.000 . 4.500 2.366 1.695 4.079 . 0 0 "[ . 1 . 2]" 2
237 1 63 VAL MG1 1 157 LEU QD 0.000 . 3.500 2.079 1.530 3.153 . 0 0 "[ . 1 . 2]" 2
238 1 63 VAL MG2 1 157 LEU QD 0.000 . 3.500 2.442 1.746 3.505 0.005 12 0 "[ . 1 . 2]" 2
239 1 145 TYR HA 1 154 PRO HA 0.000 . 4.000 3.823 2.836 4.060 0.060 8 0 "[ . 1 . 2]" 2
240 1 147 TYR QD 1 152 LYS HA 0.000 . 5.500 3.017 2.084 3.626 . 0 0 "[ . 1 . 2]" 2
241 1 147 TYR HA 1 155 LEU QD 0.000 . 5.500 5.367 4.464 5.701 0.201 2 0 "[ . 1 . 2]" 2
242 1 155 LEU QD 1 157 LEU QD 0.000 . 5.500 4.383 2.263 5.358 . 0 0 "[ . 1 . 2]" 2
243 1 150 GLY H 1 151 GLU H 0.000 . 4.000 2.387 1.789 2.823 . 0 0 "[ . 1 . 2]" 2
244 1 147 TYR QD 1 151 GLU H 0.000 . 5.500 5.267 4.417 5.535 0.035 17 0 "[ . 1 . 2]" 2
245 1 59 PHE QE 1 99 VAL HB 0.000 . 4.500 3.631 3.186 4.192 . 0 0 "[ . 1 . 2]" 2
246 1 107 MET H 1 157 LEU QD 0.000 . 5.000 3.728 2.849 4.829 . 0 0 "[ . 1 . 2]" 2
247 1 62 SER HA 1 144 TYR QE 0.000 . 4.000 4.011 3.414 4.123 0.123 15 0 "[ . 1 . 2]" 2
248 1 106 TYR HA 1 144 TYR QE 0.000 . 4.000 3.714 2.710 4.085 0.085 15 0 "[ . 1 . 2]" 2
249 1 99 VAL QG 1 102 LEU H 0.000 . 4.500 3.954 3.699 4.230 . 0 0 "[ . 1 . 2]" 2
250 1 100 LEU H 1 103 VAL QG 0.000 . 5.000 4.232 3.652 5.024 0.024 19 0 "[ . 1 . 2]" 2
251 1 106 TYR HB3 1 157 LEU QD 0.000 . 4.500 3.217 1.733 4.091 . 0 0 "[ . 1 . 2]" 2
252 1 106 TYR HB2 1 157 LEU QD 0.000 . 4.500 4.132 2.974 4.519 0.019 14 0 "[ . 1 . 2]" 2
253 1 12 LEU MD1 1 81 PHE QE 0.000 . 5.000 2.855 2.224 3.828 . 0 0 "[ . 1 . 2]" 2
254 1 12 LEU MD2 1 81 PHE QE 0.000 . 5.000 4.010 2.940 5.014 0.014 20 0 "[ . 1 . 2]" 2
255 1 67 SER H 1 146 ILE MD 0.000 . 5.500 5.168 4.132 5.509 0.009 15 0 "[ . 1 . 2]" 2
256 1 146 ILE MD 1 155 LEU H 0.000 . 5.300 5.054 4.523 5.319 0.019 4 0 "[ . 1 . 2]" 2
257 1 145 TYR QD 1 155 LEU H 0.000 . 4.510 3.629 3.371 4.222 . 0 0 "[ . 1 . 2]" 2
258 1 147 TYR QE 1 155 LEU QD 0.000 . 5.500 5.548 5.192 5.700 0.200 4 0 "[ . 1 . 2]" 2
259 1 145 TYR QD 1 152 LYS HA 0.000 . 3.510 3.529 3.292 3.610 0.100 20 0 "[ . 1 . 2]" 2
260 1 145 TYR QE 1 152 LYS HA 0.000 . 4.810 1.953 1.774 2.372 . 0 0 "[ . 1 . 2]" 2
261 1 145 TYR QD 1 152 LYS QB 0.000 . 5.500 3.865 3.624 4.798 . 0 0 "[ . 1 . 2]" 2
262 1 145 TYR QE 1 152 LYS QB 0.000 . 5.200 2.272 1.887 3.449 . 0 0 "[ . 1 . 2]" 2
263 1 145 TYR QE 1 155 LEU QD 0.000 . 5.000 4.866 4.398 5.103 0.103 2 0 "[ . 1 . 2]" 2
264 1 145 TYR QD 1 153 ILE MD 0.000 . 4.800 4.580 4.443 4.811 0.011 20 0 "[ . 1 . 2]" 2
265 1 145 TYR QE 1 153 ILE MD 0.000 . 4.800 4.724 3.657 4.861 0.061 10 0 "[ . 1 . 2]" 2
266 1 143 ALA MB 1 145 TYR QE 0.000 . 3.800 3.889 3.849 4.018 0.218 20 0 "[ . 1 . 2]" 2
267 1 143 ALA MB 1 145 TYR QD 0.000 . 4.500 3.054 2.765 3.428 . 0 0 "[ . 1 . 2]" 2
268 1 143 ALA H 1 144 TYR QD 0.000 . 4.500 4.479 4.146 4.551 0.051 20 0 "[ . 1 . 2]" 2
269 1 145 TYR QD 1 153 ILE MG 0.000 . 5.200 3.765 3.551 5.216 0.016 20 0 "[ . 1 . 2]" 2
270 1 145 TYR QE 1 153 ILE MG 0.000 . 5.200 5.242 4.742 5.319 0.119 4 0 "[ . 1 . 2]" 2
271 1 145 TYR QE 1 153 ILE HB 0.000 . 5.000 4.777 4.350 4.912 . 0 0 "[ . 1 . 2]" 2
272 1 145 TYR QD 1 153 ILE HB 0.000 . 5.000 3.660 3.493 4.940 . 0 0 "[ . 1 . 2]" 2
273 1 145 TYR QE 1 148 SER H 0.000 . 4.800 4.733 4.542 4.857 0.057 4 0 "[ . 1 . 2]" 2
274 1 148 SER H 1 153 ILE MD 0.000 . 5.000 2.420 1.825 2.794 . 0 0 "[ . 1 . 2]" 2
275 1 146 ILE H 1 153 ILE MD 0.000 . 5.300 5.282 4.680 5.333 0.033 5 0 "[ . 1 . 2]" 2
276 1 59 PHE QD 1 106 TYR QE 0.000 . 4.200 4.233 4.201 4.262 0.062 2 0 "[ . 1 . 2]" 2
277 1 59 PHE QE 1 106 TYR QE 0.000 . 4.200 3.738 2.814 4.227 0.027 14 0 "[ . 1 . 2]" 2
278 1 146 ILE MG 1 148 SER H 0.000 . 5.200 4.289 3.681 5.031 . 0 0 "[ . 1 . 2]" 2
279 1 152 LYS H 1 153 ILE MD 0.000 . 4.000 3.895 2.938 4.009 0.009 18 0 "[ . 1 . 2]" 2
280 1 148 SER H 1 153 ILE HB 0.000 . 4.000 3.691 2.912 4.036 0.036 1 0 "[ . 1 . 2]" 2
281 1 30 VAL H 1 35 ALA MB 0.000 . 4.686 2.793 2.029 3.252 . 0 0 "[ . 1 . 2]" 2
282 1 29 ALA H 1 35 ALA MB 0.000 . 4.330 4.213 3.666 4.422 0.092 2 0 "[ . 1 . 2]" 2
283 1 80 SER HB3 1 96 PHE H 0.000 . 5.200 4.757 3.769 5.208 0.008 14 0 "[ . 1 . 2]" 2
284 1 80 SER HB2 1 96 PHE H 0.000 . 5.200 4.980 3.516 5.212 0.012 10 0 "[ . 1 . 2]" 2
285 1 29 ALA H 1 30 VAL QG 0.000 . 5.200 2.954 2.178 3.928 . 0 0 "[ . 1 . 2]" 2
286 1 72 LEU QD 1 145 TYR H 0.000 . 5.500 4.998 4.013 5.532 0.032 14 0 "[ . 1 . 2]" 2
287 1 72 LEU QD 1 147 TYR H 0.000 . 5.500 5.381 4.522 5.549 0.049 9 0 "[ . 1 . 2]" 2
288 1 74 ILE MD 1 84 GLN H 0.000 . 4.500 4.379 4.020 4.523 0.023 1 0 "[ . 1 . 2]" 2
289 1 83 LEU QD 1 105 HIS HD2 0.000 . 3.500 3.268 2.352 3.514 0.014 7 0 "[ . 1 . 2]" 2
290 1 145 TYR H 1 155 LEU QD 0.000 . 5.000 3.968 2.616 4.484 . 0 0 "[ . 1 . 2]" 2
291 1 63 VAL QG 1 155 LEU MD1 0.000 . 5.200 3.935 1.827 4.810 . 0 0 "[ . 1 . 2]" 2
292 1 63 VAL QG 1 155 LEU MD2 0.000 . 5.200 3.832 2.305 5.153 . 0 0 "[ . 1 . 2]" 2
293 1 83 LEU QD 2 11 VAL QG 0.000 . 3.500 2.815 1.781 3.510 0.010 3 0 "[ . 1 . 2]" 2
294 1 106 TYR QE 2 11 VAL QG 0.000 . 5.000 3.691 2.780 4.689 . 0 0 "[ . 1 . 2]" 2
295 1 32 GLY H 2 6 VAL MG1 0.000 . 5.000 4.854 4.249 5.022 0.022 1 0 "[ . 1 . 2]" 2
296 1 32 GLY H 2 6 VAL MG2 0.000 . 5.000 4.460 3.107 5.030 0.030 17 0 "[ . 1 . 2]" 2
297 1 33 GLY H 2 6 VAL MG1 0.000 . 5.000 2.590 1.796 3.569 . 0 0 "[ . 1 . 2]" 2
298 1 33 GLY H 2 6 VAL MG2 0.000 . 5.000 2.216 1.636 3.206 . 0 0 "[ . 1 . 2]" 2
299 1 36 ASN HD21 2 6 VAL MG1 0.000 . 4.500 4.206 3.097 4.513 0.013 11 0 "[ . 1 . 2]" 2
300 1 36 ASN HD21 2 6 VAL MG2 0.000 . 4.500 4.086 2.717 4.515 0.015 9 0 "[ . 1 . 2]" 2
301 1 36 ASN HD22 2 6 VAL MG1 0.000 . 4.500 4.260 3.127 4.519 0.019 17 0 "[ . 1 . 2]" 2
302 1 36 ASN HD22 2 6 VAL MG2 0.000 . 4.500 4.243 3.040 4.565 0.065 13 0 "[ . 1 . 2]" 2
303 1 145 TYR H 2 12 VAL H 0.000 . 3.500 2.796 1.697 3.503 0.003 4 0 "[ . 1 . 2]" 2
304 1 145 TYR H 2 11 VAL QG 0.000 . 5.000 1.724 1.578 2.148 . 0 0 "[ . 1 . 2]" 2
305 1 147 TYR H 2 11 VAL QG 0.000 . 5.000 5.059 4.989 5.127 0.127 13 0 "[ . 1 . 2]" 2
306 1 105 HIS HD2 2 11 VAL MG1 0.000 . 3.500 2.833 1.727 3.549 0.049 7 0 "[ . 1 . 2]" 2
307 1 105 HIS HD2 2 11 VAL MG2 0.000 . 3.500 3.452 2.900 3.568 0.068 6 0 "[ . 1 . 2]" 2
308 1 105 HIS HD2 2 11 VAL HB 0.000 . 3.000 2.587 1.865 3.019 0.019 20 0 "[ . 1 . 2]" 2
309 1 157 LEU H 2 11 VAL QG 0.000 . 5.500 5.632 5.579 5.692 0.192 7 0 "[ . 1 . 2]" 2
310 1 71 ASN H 2 9 SER H 0.000 . 4.500 4.295 3.669 4.511 0.011 5 0 "[ . 1 . 2]" 2
311 1 71 ASN H 2 8 PTR HA 0.000 . 4.000 3.834 2.363 4.023 0.023 7 0 "[ . 1 . 2]" 2
312 1 155 LEU H 2 12 VAL QG 0.000 . 4.200 4.285 4.237 4.328 0.128 12 0 "[ . 1 . 2]" 2
313 1 144 TYR H 2 12 VAL QG 0.000 . 4.200 3.613 2.933 4.002 . 0 0 "[ . 1 . 2]" 2
314 1 144 TYR QD 2 11 VAL QG 0.000 . 4.500 2.088 1.696 2.392 . 0 0 "[ . 1 . 2]" 2
315 1 72 LEU QD 2 9 SER HA 0.000 . 5.000 4.020 3.112 4.745 . 0 0 "[ . 1 . 2]" 2
316 1 72 LEU MD1 2 9 SER QB 0.000 . 4.800 4.234 2.717 4.820 0.020 11 0 "[ . 1 . 2]" 2
317 1 72 LEU MD2 2 9 SER QB 0.000 . 4.800 3.903 2.223 4.806 0.006 2 0 "[ . 1 . 2]" 2
318 2 11 VAL HA 2 12 VAL H 0.000 . 2.800 2.410 2.203 2.839 0.039 11 0 "[ . 1 . 2]" 2
319 2 10 THR HA 2 11 VAL H 0.000 . 2.800 2.430 2.216 2.806 0.006 20 0 "[ . 1 . 2]" 2
320 2 8 PTR HA 2 9 SER H 0.000 . 2.800 2.660 2.219 2.814 0.014 9 0 "[ . 1 . 2]" 2
321 2 6 VAL HA 2 7 GLU H 0.000 . 2.800 2.395 2.204 2.760 . 0 0 "[ . 1 . 2]" 2
322 1 83 LEU QD 2 11 VAL H 0.000 . 5.200 3.689 2.768 4.746 . 0 0 "[ . 1 . 2]" 2
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