NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
535110 |
2lmc   |
18111 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lmc
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 1378
_Distance_constraint_stats_list.Viol_count 989
_Distance_constraint_stats_list.Viol_total 911.352
_Distance_constraint_stats_list.Viol_max 0.863
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0921
_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 26 THR 0.000 0.000 . 0 "[ . 1]"
1 27 GLY 0.278 0.124 1 0 "[ . 1]"
1 28 SER 0.731 0.124 1 0 "[ . 1]"
1 29 LEU 0.723 0.099 9 0 "[ . 1]"
1 30 SER 0.569 0.092 9 0 "[ . 1]"
1 31 VAL 0.670 0.139 2 0 "[ . 1]"
1 32 ASP 1.502 0.863 3 1 "[ + . 1]"
1 33 ASN 1.944 0.275 3 0 "[ . 1]"
1 34 LYS 7.397 0.505 9 1 "[ . +1]"
1 35 LYS 0.229 0.081 3 0 "[ . 1]"
1 36 PHE 1.061 0.122 3 0 "[ . 1]"
1 37 TRP 0.823 0.351 9 0 "[ . 1]"
1 38 ALA 0.810 0.135 6 0 "[ . 1]"
1 39 THR 0.000 0.000 . 0 "[ . 1]"
1 40 VAL 5.529 0.505 9 1 "[ . +1]"
1 41 GLU 0.775 0.109 9 0 "[ . 1]"
1 42 SER 0.033 0.033 5 0 "[ . 1]"
1 43 SER 0.100 0.030 1 0 "[ . 1]"
1 44 GLU 2.533 0.467 1 0 "[ . 1]"
1 45 HIS 0.213 0.079 6 0 "[ . 1]"
1 46 SER 0.704 0.109 9 0 "[ . 1]"
1 47 PHE 0.970 0.095 3 0 "[ . 1]"
1 48 GLU 4.043 0.505 9 1 "[ . +1]"
1 49 VAL 0.053 0.053 1 0 "[ . 1]"
1 50 PRO 0.233 0.054 4 0 "[ . 1]"
1 51 ILE 4.250 0.505 9 1 "[ . +1]"
1 52 TYR 1.824 0.863 3 1 "[ + . 1]"
1 53 ALA 4.700 0.505 9 1 "[ . +1]"
1 54 GLU 0.945 0.456 8 0 "[ . 1]"
1 55 THR 1.350 0.456 8 0 "[ . 1]"
1 56 LEU 1.346 0.221 7 0 "[ . 1]"
1 57 ASP 1.542 0.703 2 1 "[ + . 1]"
1 58 GLU 0.306 0.124 1 0 "[ . 1]"
1 59 ALA 0.020 0.017 10 0 "[ . 1]"
1 60 LEU 1.284 0.394 2 0 "[ . 1]"
1 61 GLU 1.600 0.394 2 0 "[ . 1]"
1 62 LEU 0.314 0.111 9 0 "[ . 1]"
1 63 ALA 1.908 0.350 8 0 "[ . 1]"
1 64 GLU 1.239 0.219 6 0 "[ . 1]"
1 65 TRP 1.785 0.135 6 0 "[ . 1]"
1 66 GLN 1.964 0.350 8 0 "[ . 1]"
1 67 TYR 3.008 0.350 8 0 "[ . 1]"
1 68 VAL 0.348 0.092 9 0 "[ . 1]"
1 69 PRO 0.438 0.124 1 0 "[ . 1]"
1 70 ALA 0.000 0.000 . 0 "[ . 1]"
1 71 GLY 0.000 0.000 . 0 "[ . 1]"
1 72 PHE 0.575 0.149 7 0 "[ . 1]"
1 73 GLU 0.500 0.219 6 0 "[ . 1]"
1 74 VAL 1.581 0.236 7 0 "[ . 1]"
1 75 THR 0.855 0.400 6 0 "[ . 1]"
1 76 ARG 1.949 0.351 9 0 "[ . 1]"
1 77 VAL 1.103 0.351 9 0 "[ . 1]"
1 78 ARG 0.141 0.092 2 0 "[ . 1]"
1 79 PRO 1.623 0.351 9 0 "[ . 1]"
1 80 CYS 0.218 0.094 2 0 "[ . 1]"
1 81 VAL 2.061 0.439 3 0 "[ . 1]"
2 24 PRO 2.891 0.767 1 1 "[+ . 1]"
2 25 ALA 0.511 0.081 7 0 "[ . 1]"
2 26 ILE 1.601 0.228 2 0 "[ . 1]"
2 27 LEU 6.179 0.570 10 3 "[* . - +]"
2 28 ALA 2.829 0.231 2 0 "[ . 1]"
2 29 GLU 4.228 0.439 3 0 "[ . 1]"
2 30 ILE 2.089 0.145 8 0 "[ . 1]"
2 31 SER 3.565 0.558 9 1 "[ . +1]"
2 32 GLY 1.890 0.177 5 0 "[ . 1]"
2 33 ILE 5.551 0.231 2 0 "[ . 1]"
2 34 VAL 0.749 0.111 2 0 "[ . 1]"
2 35 SER 2.205 0.703 2 1 "[ + . 1]"
2 36 PHE 3.889 0.485 5 0 "[ . 1]"
2 37 GLY 0.403 0.074 3 0 "[ . 1]"
2 38 LYS 0.294 0.067 8 0 "[ . 1]"
2 39 GLU 3.577 0.485 5 0 "[ . 1]"
2 40 THR 1.484 0.858 9 1 "[ . +1]"
2 41 LYS 0.858 0.858 9 1 "[ . +1]"
2 42 GLY 0.000 0.000 . 0 "[ . 1]"
2 43 LYS 4.177 0.400 6 0 "[ . 1]"
2 44 ARG 7.666 0.484 3 0 "[ . 1]"
2 45 ARG 3.273 0.536 6 2 "[ -+ 1]"
2 46 LEU 2.311 0.385 8 0 "[ . 1]"
2 47 VAL 5.194 0.703 2 3 "[ + -* 1]"
2 48 ILE 1.973 0.177 5 0 "[ . 1]"
2 49 THR 2.843 0.219 6 0 "[ . 1]"
2 50 PRO 2.258 0.231 2 0 "[ . 1]"
2 51 VAL 1.649 0.760 9 1 "[ . +1]"
2 52 ASP 3.330 0.760 9 1 "[ . +1]"
2 53 GLY 0.448 0.109 6 0 "[ . 1]"
2 54 SER 1.235 0.218 10 0 "[ . 1]"
2 55 ASP 1.171 0.145 8 0 "[ . 1]"
2 56 PRO 0.648 0.084 7 0 "[ . 1]"
2 57 TYR 0.331 0.094 2 0 "[ . 1]"
2 58 GLU 3.717 0.402 1 0 "[ . 1]"
2 59 GLU 0.005 0.005 6 0 "[ . 1]"
2 60 MET 0.845 0.213 8 0 "[ . 1]"
2 61 ILE 0.175 0.077 8 0 "[ . 1]"
2 62 PRO 2.557 0.391 5 0 "[ . 1]"
2 63 LYS 4.474 0.434 5 0 "[ . 1]"
2 64 TRP 2.044 0.143 1 0 "[ . 1]"
2 65 ARG 0.470 0.091 8 0 "[ . 1]"
2 66 GLN 0.855 0.228 2 0 "[ . 1]"
2 67 LEU 3.160 0.385 8 0 "[ . 1]"
2 68 ASN 1.011 0.132 10 0 "[ . 1]"
2 69 VAL 2.937 0.701 2 1 "[ + . 1]"
2 70 PHE 1.035 0.685 2 1 "[ + . 1]"
2 71 GLU 3.997 0.313 2 0 "[ . 1]"
2 72 GLY 1.468 0.188 7 0 "[ . 1]"
2 73 GLU 3.147 0.485 5 0 "[ . 1]"
2 74 ARG 2.871 0.175 7 0 "[ . 1]"
2 75 VAL 3.026 0.175 7 0 "[ . 1]"
2 76 GLU 1.628 0.376 9 0 "[ . 1]"
2 77 ARG 5.194 0.326 10 0 "[ . 1]"
2 78 GLY 4.385 0.570 10 3 "[* . - +]"
2 79 ASP 0.577 0.093 2 0 "[ . 1]"
2 80 VAL 1.065 0.132 10 0 "[ . 1]"
2 81 ILE 1.178 0.100 6 0 "[ . 1]"
2 82 SER 1.610 0.170 8 0 "[ . 1]"
2 83 ASP 1.064 0.111 9 0 "[ . 1]"
2 84 GLY 1.679 0.282 1 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 38 ALA H 1 49 VAL QG 2.980 . 4.090 3.155 2.906 3.461 . 0 0 "[ . 1]" 1
2 1 29 LEU QD 1 29 LEU HG 1.978 . 2.467 1.893 1.887 1.896 . 0 0 "[ . 1]" 1
3 1 62 LEU QD 1 62 LEU HG 1.985 . 2.477 1.894 1.893 1.896 . 0 0 "[ . 1]" 1
4 1 68 VAL MG1 1 74 VAL QG 1.993 . 2.876 2.577 2.284 2.798 . 0 0 "[ . 1]" 1
5 1 68 VAL MG1 1 68 VAL MG2 1.750 . 2.133 1.815 1.704 1.930 . 0 0 "[ . 1]" 1
6 1 64 GLU QG 1 68 VAL MG1 2.060 . 2.590 2.211 2.029 2.600 0.010 9 0 "[ . 1]" 1
7 1 73 GLU HG3 1 74 VAL H 2.784 . 3.753 3.188 2.811 3.524 . 0 0 "[ . 1]" 1
8 1 53 ALA MB 1 58 GLU HA 2.687 . 6.000 4.196 3.979 4.345 . 0 0 "[ . 1]" 1
9 1 36 PHE QD 1 53 ALA MB 2.482 . 6.000 3.457 2.632 3.906 . 0 0 "[ . 1]" 1
10 1 34 LYS H 1 53 ALA H 3.020 . 4.160 3.685 3.519 3.814 . 0 0 "[ . 1]" 1
11 1 33 ASN QD 1 53 ALA MB 2.752 . 6.000 4.278 4.089 4.570 . 0 0 "[ . 1]" 1
12 1 26 THR HA 1 26 THR MG 1.844 . 2.269 1.911 1.876 1.957 . 0 0 "[ . 1]" 1
13 1 53 ALA MB 1 58 GLU QG 2.075 . 2.613 1.929 1.851 2.052 . 0 0 "[ . 1]" 1
14 1 53 ALA H 1 53 ALA MB 2.760 . 3.712 1.957 1.727 2.659 0.081 3 0 "[ . 1]" 1
15 1 53 ALA MB 1 54 GLU HG3 2.600 . 3.445 3.322 2.856 3.901 0.456 8 0 "[ . 1]" 1
16 1 53 ALA HA 1 53 ALA MB 2.223 . 2.841 1.898 1.896 1.901 . 0 0 "[ . 1]" 1
17 1 28 SER HA 1 29 LEU H 2.158 . 2.740 2.546 2.202 2.800 0.060 8 0 "[ . 1]" 1
18 1 29 LEU H 1 29 LEU QB 2.202 . 2.808 2.385 2.044 2.842 0.034 1 0 "[ . 1]" 1
19 1 34 LYS HB3 1 34 LYS QG 2.051 . 2.577 1.932 1.888 1.964 . 0 0 "[ . 1]" 1
20 1 56 LEU HG 1 79 PRO HB3 2.035 . 6.000 3.438 2.254 4.192 . 0 0 "[ . 1]" 1
21 1 62 LEU MD1 1 66 GLN QB 2.070 . 6.000 3.779 3.498 3.925 . 0 0 "[ . 1]" 1
22 1 62 LEU QB 1 62 LEU MD1 1.958 . 2.437 1.879 1.875 1.881 . 0 0 "[ . 1]" 1
23 1 61 GLU QB 1 62 LEU MD1 2.348 . 6.000 3.630 3.496 3.813 . 0 0 "[ . 1]" 1
24 1 31 VAL QG 1 32 ASP H 2.174 . 2.765 2.461 2.077 2.904 0.139 2 0 "[ . 1]" 1
25 1 34 LYS H 1 34 LYS HB3 2.437 . 3.179 3.096 2.314 3.619 0.440 10 0 "[ . 1]" 1
26 1 57 ASP HA 1 59 ALA H 2.849 . 3.864 3.425 3.372 3.477 . 0 0 "[ . 1]" 1
27 1 54 GLU QB 1 59 ALA H 2.938 . 6.000 5.256 4.894 5.930 . 0 0 "[ . 1]" 1
28 1 36 PHE QD 1 59 ALA MB 2.545 . 3.355 2.543 2.234 2.656 . 0 0 "[ . 1]" 1
29 1 51 ILE MD 1 59 ALA H 2.833 . 6.000 5.027 4.946 5.163 . 0 0 "[ . 1]" 1
30 1 60 LEU HB2 1 63 ALA H 2.867 . 6.000 4.025 3.945 4.239 . 0 0 "[ . 1]" 1
31 1 62 LEU HG 1 63 ALA H 2.744 . 6.000 3.943 3.598 4.247 . 0 0 "[ . 1]" 1
32 1 51 ILE MD 1 63 ALA MB 1.809 . 2.218 2.208 2.111 2.324 0.106 6 0 "[ . 1]" 1
33 1 38 ALA MB 1 63 ALA MB 2.453 . 3.205 2.022 1.761 2.350 . 0 0 "[ . 1]" 1
34 1 61 GLU QB 1 63 ALA MB 2.576 . 6.000 4.009 3.895 4.251 . 0 0 "[ . 1]" 1
35 1 31 VAL H 1 31 VAL QG 2.005 . 2.508 2.253 1.848 2.559 0.051 9 0 "[ . 1]" 1
36 1 41 GLU HA 1 42 SER H 2.523 . 3.319 2.071 1.944 2.115 . 0 0 "[ . 1]" 1
37 1 70 ALA H 1 70 ALA MB 2.528 . 3.327 2.143 2.044 2.194 . 0 0 "[ . 1]" 1
38 1 67 TYR QE 1 70 ALA MB 2.775 . 6.000 4.365 4.162 4.553 . 0 0 "[ . 1]" 1
39 1 41 GLU H 1 41 GLU HB3 2.853 . 3.870 2.659 2.508 2.854 . 0 0 "[ . 1]" 1
40 1 40 VAL HB 1 40 VAL MG1 2.022 . 2.533 1.893 1.757 2.049 . 0 0 "[ . 1]" 1
41 1 46 SER QB 1 47 PHE H 2.589 . 3.427 3.025 2.805 3.222 . 0 0 "[ . 1]" 1
42 1 41 GLU HB3 1 47 PHE H 2.867 . 6.000 4.856 4.438 5.062 . 0 0 "[ . 1]" 1
43 1 40 VAL MG1 1 47 PHE QE 2.384 . 6.000 3.592 3.246 3.851 . 0 0 "[ . 1]" 1
44 1 40 VAL MG1 1 47 PHE QD 2.517 . 6.000 4.162 3.635 4.473 . 0 0 "[ . 1]" 1
45 1 35 LYS QD 1 80 CYS H 2.932 . 6.000 5.241 4.776 6.081 0.081 3 0 "[ . 1]" 1
46 1 39 THR MG 1 48 GLU QG 2.345 . 3.032 2.449 2.189 2.679 . 0 0 "[ . 1]" 1
47 1 64 GLU QB 1 68 VAL MG2 2.150 . 6.000 3.519 3.254 3.616 . 0 0 "[ . 1]" 1
48 1 66 GLN HA 1 68 VAL MG2 2.619 . 6.000 4.708 4.568 5.043 . 0 0 "[ . 1]" 1
49 1 57 ASP HA 1 58 GLU H 2.791 . 3.765 2.708 2.678 2.737 . 0 0 "[ . 1]" 1
50 1 39 THR MG 1 50 PRO HA 2.160 . 6.000 4.600 4.264 4.969 . 0 0 "[ . 1]" 1
51 1 47 PHE QD 1 49 VAL QG 2.070 . 6.000 3.101 2.819 3.462 . 0 0 "[ . 1]" 1
52 1 65 TRP HA 1 68 VAL MG2 1.954 . 2.431 2.321 2.008 2.523 0.092 9 0 "[ . 1]" 1
53 1 49 VAL QG 1 50 PRO QG 2.345 . 3.032 2.499 2.187 2.698 . 0 0 "[ . 1]" 1
54 1 61 GLU QB 1 65 TRP H 2.635 . 6.000 3.225 2.984 3.454 . 0 0 "[ . 1]" 1
55 1 38 ALA MB 1 50 PRO HA 2.703 . 6.000 4.071 3.684 4.372 . 0 0 "[ . 1]" 1
56 1 74 VAL QG 1 76 ARG H 2.527 . 6.000 3.779 3.206 4.249 . 0 0 "[ . 1]" 1
57 1 62 LEU H 1 62 LEU QB 2.613 . 3.466 2.095 2.010 2.174 . 0 0 "[ . 1]" 1
58 1 60 LEU HG 1 62 LEU H 2.891 . 6.000 4.684 4.519 4.866 . 0 0 "[ . 1]" 1
59 1 31 VAL QG 1 33 ASN H 2.177 . 2.769 2.121 1.673 2.628 . 0 0 "[ . 1]" 1
60 1 62 LEU QB 1 62 LEU QD 2.227 . 2.847 1.945 1.916 1.960 . 0 0 "[ . 1]" 1
61 1 29 LEU QB 1 29 LEU QD 2.152 . 2.731 1.763 1.720 1.840 . 0 0 "[ . 1]" 1
62 1 63 ALA MB 1 79 PRO HD3 2.763 . 6.000 5.317 4.942 5.531 . 0 0 "[ . 1]" 1
63 1 34 LYS QG 1 79 PRO HD2 2.276 . 6.000 5.844 5.132 6.077 0.077 8 0 "[ . 1]" 1
64 1 47 PHE HA 1 47 PHE QD 2.575 . 6.000 3.585 3.572 3.605 . 0 0 "[ . 1]" 1
65 1 46 SER HA 1 47 PHE QD 3.069 . 4.247 3.272 3.143 3.422 . 0 0 "[ . 1]" 1
66 1 40 VAL HB 1 47 PHE QD 2.703 . 6.000 3.078 2.738 3.491 . 0 0 "[ . 1]" 1
67 1 68 VAL HA 1 72 PHE H 2.785 . 3.754 2.594 2.429 2.784 . 0 0 "[ . 1]" 1
68 1 31 VAL HA 1 52 TYR QD 2.849 . 6.000 4.251 3.096 5.134 . 0 0 "[ . 1]" 1
69 1 52 TYR QB 1 52 TYR QD 2.209 . 2.819 2.147 2.136 2.217 . 0 0 "[ . 1]" 1
70 1 50 PRO QB 1 52 TYR QD 2.823 . 6.000 3.840 3.335 4.028 . 0 0 "[ . 1]" 1
71 1 29 LEU QD 1 52 TYR QD 2.883 . 3.922 2.423 1.791 2.970 0.053 1 0 "[ . 1]" 1
72 1 61 GLU H 1 61 GLU QB 2.294 . 2.952 2.251 2.038 2.431 . 0 0 "[ . 1]" 1
73 1 60 LEU QD 1 61 GLU H 2.656 . 6.000 3.770 3.639 3.901 . 0 0 "[ . 1]" 1
74 1 66 GLN QB 1 67 TYR QD 2.979 . 4.089 2.728 2.154 3.376 . 0 0 "[ . 1]" 1
75 1 63 ALA MB 1 67 TYR QD 2.564 . 3.385 3.403 2.442 3.735 0.350 8 0 "[ . 1]" 1
76 1 51 ILE MD 1 67 TYR QD 2.664 . 3.551 3.021 2.770 3.172 . 0 0 "[ . 1]" 1
77 1 63 ALA H 1 64 GLU H 2.873 . 3.905 2.418 2.371 2.456 . 0 0 "[ . 1]" 1
78 1 61 GLU QB 1 64 GLU H 2.664 . 6.000 3.987 3.897 4.100 . 0 0 "[ . 1]" 1
79 1 34 LYS HB3 1 36 PHE QE 2.745 . 3.687 2.760 2.338 3.085 . 0 0 "[ . 1]" 1
80 1 28 SER QB 1 30 SER H 2.627 . 6.000 5.473 4.849 6.080 0.080 4 0 "[ . 1]" 1
81 1 57 ASP HA 1 60 LEU H 2.715 . 3.637 2.687 2.603 2.745 . 0 0 "[ . 1]" 1
82 1 61 GLU QB 1 65 TRP HD1 2.739 . 6.000 3.710 3.375 4.157 . 0 0 "[ . 1]" 1
83 1 60 LEU QD 1 65 TRP HD1 3.097 . 6.000 5.600 5.252 5.789 . 0 0 "[ . 1]" 1
84 1 60 LEU H 1 60 LEU HG 3.019 . 6.000 4.032 3.960 4.088 . 0 0 "[ . 1]" 1
85 1 37 TRP HD1 1 48 GLU HB3 2.982 . 6.000 5.874 5.347 6.351 0.351 9 0 "[ . 1]" 1
86 1 46 SER H 1 46 SER QB 2.754 . 3.702 2.846 2.668 3.218 . 0 0 "[ . 1]" 1
87 1 37 TRP HE3 1 48 GLU QB 2.837 . 3.843 2.826 2.083 3.546 . 0 0 "[ . 1]" 1
88 1 57 ASP H 1 58 GLU QB 3.003 . 6.000 4.298 4.161 4.443 . 0 0 "[ . 1]" 1
89 1 65 TRP HE3 1 66 GLN QB 3.007 . 6.000 4.814 4.053 5.124 . 0 0 "[ . 1]" 1
90 1 61 GLU QB 1 65 TRP HE3 2.786 . 6.000 4.564 3.939 4.919 . 0 0 "[ . 1]" 1
91 1 66 GLN QB 1 67 TYR H 2.920 . 3.986 2.876 2.709 2.976 . 0 0 "[ . 1]" 1
92 1 32 ASP HB3 1 52 TYR QE 2.647 . 3.523 2.906 2.295 3.632 0.109 3 0 "[ . 1]" 1
93 1 38 ALA HA 1 67 TYR QE 2.956 . 6.000 4.571 4.454 4.685 . 0 0 "[ . 1]" 1
94 1 49 VAL QG 1 67 TYR QE 2.241 . 2.869 1.839 1.738 1.958 . 0 0 "[ . 1]" 1
95 1 29 LEU QB 1 52 TYR QE 2.580 . 6.000 3.187 2.970 3.380 . 0 0 "[ . 1]" 1
96 1 54 GLU HA 1 55 THR H 2.807 . 3.792 2.776 2.648 3.245 . 0 0 "[ . 1]" 1
97 1 49 VAL QG 1 52 TYR QE 2.526 . 3.324 2.212 1.752 2.676 . 0 0 "[ . 1]" 1
98 1 66 GLN QB 1 67 TYR QE 2.654 . 6.000 3.430 3.051 3.938 . 0 0 "[ . 1]" 1
99 1 35 LYS HA 1 52 TYR QE 2.635 . 3.503 3.040 2.599 3.560 0.057 6 0 "[ . 1]" 1
100 1 61 GLU HG3 1 65 TRP HD1 3.128 . 4.351 4.028 3.615 4.469 0.118 8 0 "[ . 1]" 1
101 1 34 LYS HB3 1 36 PHE HZ 2.692 . 3.598 2.871 2.470 3.125 . 0 0 "[ . 1]" 1
102 1 36 PHE HZ 1 53 ALA MB 3.080 . 4.266 3.951 2.951 4.347 0.081 6 0 "[ . 1]" 1
103 1 36 PHE QD 1 56 LEU QD 2.717 . 3.640 3.085 2.634 3.509 . 0 0 "[ . 1]" 1
104 1 67 TYR HA 1 72 PHE QD 2.969 . 4.071 3.458 2.544 3.755 . 0 0 "[ . 1]" 1
105 1 48 GLU HA 1 48 GLU QB 2.469 . 3.231 2.299 2.169 2.463 . 0 0 "[ . 1]" 1
106 1 41 GLU HA 1 41 GLU HB3 2.254 . 2.889 2.322 2.283 2.374 . 0 0 "[ . 1]" 1
107 1 41 GLU HA 1 46 SER QB 2.551 . 3.364 2.699 2.018 3.341 . 0 0 "[ . 1]" 1
108 1 31 VAL HA 1 52 TYR HA 2.568 . 6.000 4.818 4.077 5.311 . 0 0 "[ . 1]" 1
109 1 52 TYR H 1 61 GLU QB 3.146 . 6.000 5.864 5.694 6.251 0.251 3 0 "[ . 1]" 1
110 1 65 TRP QB 1 65 TRP HE3 2.741 . 3.680 2.374 2.326 2.431 . 0 0 "[ . 1]" 1
111 1 51 ILE H 1 52 TYR H 3.373 . 4.795 3.856 3.823 3.889 . 0 0 "[ . 1]" 1
112 1 36 PHE QD 1 81 VAL H 3.160 . 6.000 5.506 4.879 6.082 0.082 4 0 "[ . 1]" 1
113 1 35 LYS QD 1 81 VAL H 3.269 . 6.000 5.755 4.985 6.030 0.030 1 0 "[ . 1]" 1
114 1 43 SER HA 1 43 SER QB 1.885 . 2.329 2.310 2.183 2.359 0.030 1 0 "[ . 1]" 1
115 1 64 GLU QG 1 65 TRP HA 2.418 . 3.149 3.003 2.753 3.177 0.028 8 0 "[ . 1]" 1
116 1 62 LEU MD2 1 65 TRP HA 2.145 . 6.000 5.137 4.910 5.506 . 0 0 "[ . 1]" 1
117 1 34 LYS HB3 1 53 ALA H 3.086 . 4.277 4.595 4.408 4.782 0.505 9 1 "[ . +1]" 1
118 1 31 VAL HA 1 31 VAL QG 1.803 . 6.000 2.318 2.260 2.385 . 0 0 "[ . 1]" 1
119 1 76 ARG QB 1 77 VAL H 3.028 . 4.174 2.233 2.022 2.530 . 0 0 "[ . 1]" 1
120 1 60 LEU HB2 1 77 VAL H 3.048 . 6.000 5.560 5.035 6.009 0.009 2 0 "[ . 1]" 1
121 1 64 GLU HA 1 64 GLU QG 2.193 . 2.794 2.524 2.371 2.608 . 0 0 "[ . 1]" 1
122 1 44 GLU HA 1 44 GLU QG 2.025 . 2.538 2.442 2.393 2.515 . 0 0 "[ . 1]" 1
123 1 36 PHE H 1 49 VAL QG 3.331 . 6.000 5.019 4.700 5.292 . 0 0 "[ . 1]" 1
124 1 36 PHE H 1 50 PRO QB 3.269 . 4.605 3.749 3.259 4.446 . 0 0 "[ . 1]" 1
125 1 34 LYS HB3 1 36 PHE H 3.375 . 4.799 3.951 3.636 4.231 . 0 0 "[ . 1]" 1
126 1 51 ILE MG 1 59 ALA HA 2.277 . 2.925 2.317 1.999 2.643 . 0 0 "[ . 1]" 1
127 1 60 LEU HA 1 60 LEU HG 2.414 . 3.143 2.761 2.484 2.926 . 0 0 "[ . 1]" 1
128 1 58 GLU HA 1 58 GLU QB 1.982 . 2.473 2.124 2.096 2.145 . 0 0 "[ . 1]" 1
129 1 51 ILE HB 1 78 ARG H 3.150 . 6.000 4.964 4.779 5.123 . 0 0 "[ . 1]" 1
130 1 66 GLN HA 1 66 GLN QB 2.152 . 2.731 2.276 2.160 2.323 . 0 0 "[ . 1]" 1
131 1 66 GLN HA 1 66 GLN QB 2.126 . 2.691 2.203 2.153 2.286 . 0 0 "[ . 1]" 1
132 1 66 GLN QB 1 68 VAL H 3.253 . 6.000 4.921 4.720 5.417 . 0 0 "[ . 1]" 1
133 1 27 GLY QA 1 69 PRO QD 2.428 . 6.000 5.769 5.127 6.124 0.124 1 0 "[ . 1]" 1
134 1 34 LYS QD 1 34 LYS QE 1.974 . 2.461 1.798 1.779 1.822 . 0 0 "[ . 1]" 1
135 1 46 SER HA 1 46 SER QB 1.997 . 2.496 2.229 2.182 2.318 . 0 0 "[ . 1]" 1
136 1 41 GLU QG 1 46 SER QB 2.171 . 2.760 2.374 1.986 2.869 0.109 9 0 "[ . 1]" 1
137 1 53 ALA MB 1 58 GLU HA 2.369 . 3.070 2.951 2.927 2.966 . 0 0 "[ . 1]" 1
138 1 64 GLU HG2 1 69 PRO QD 2.632 . 6.000 4.031 3.944 4.119 . 0 0 "[ . 1]" 1
139 1 40 VAL H 1 41 GLU H 3.163 . 4.414 3.560 3.135 3.860 . 0 0 "[ . 1]" 1
140 1 34 LYS HB2 1 35 LYS HA 2.423 . 6.000 3.539 3.177 3.950 . 0 0 "[ . 1]" 1
141 1 34 LYS HB3 1 35 LYS HA 2.811 . 3.799 2.923 2.180 3.459 . 0 0 "[ . 1]" 1
142 1 41 GLU H 1 49 VAL QG 3.115 . 6.000 4.397 3.985 4.677 . 0 0 "[ . 1]" 1
143 1 56 LEU QD 1 57 ASP HA 2.168 . 6.000 3.500 3.055 3.911 . 0 0 "[ . 1]" 1
144 1 29 LEU QD 1 32 ASP HB3 2.314 . 6.000 2.748 1.934 3.920 . 0 0 "[ . 1]" 1
145 1 56 LEU QD 1 79 PRO HB2 2.067 . 2.601 2.178 1.970 2.522 . 0 0 "[ . 1]" 1
146 1 77 VAL HB 1 77 VAL QG 1.921 . 2.383 1.779 1.712 1.865 . 0 0 "[ . 1]" 1
147 1 29 LEU QB 1 29 LEU QD 1.792 . 2.193 1.621 1.598 1.659 . 0 0 "[ . 1]" 1
148 1 57 ASP HA 1 60 LEU MD2 2.170 . 6.000 2.954 2.516 3.238 . 0 0 "[ . 1]" 1
149 1 60 LEU MD2 1 61 GLU HG2 2.227 . 2.847 2.910 2.507 3.241 0.394 2 0 "[ . 1]" 1
150 1 60 LEU MD1 1 65 TRP H 2.890 . 6.000 4.703 4.415 5.141 . 0 0 "[ . 1]" 1
151 1 61 GLU QB 1 62 LEU MD2 2.340 . 3.024 2.466 2.159 2.665 . 0 0 "[ . 1]" 1
152 1 62 LEU QB 1 62 LEU MD2 1.884 . 2.328 1.965 1.938 1.978 . 0 0 "[ . 1]" 1
153 1 36 PHE QD 1 37 TRP H 3.082 . 4.269 3.005 2.671 3.524 . 0 0 "[ . 1]" 1
154 1 30 SER HA 1 31 VAL MG2 2.174 . 2.765 2.502 1.986 2.842 0.077 10 0 "[ . 1]" 1
155 1 30 SER QB 1 31 VAL QG 2.440 . 3.184 2.843 2.354 3.236 0.052 10 0 "[ . 1]" 1
156 1 31 VAL HB 1 31 VAL QG 1.608 . 1.931 1.688 1.686 1.689 . 0 0 "[ . 1]" 1
157 1 41 GLU HA 1 45 HIS H 3.136 . 6.000 4.541 4.202 5.052 . 0 0 "[ . 1]" 1
158 1 67 TYR QB 1 77 VAL QG 2.791 . 6.000 5.067 3.946 5.660 . 0 0 "[ . 1]" 1
159 1 36 PHE QD 1 77 VAL QG 2.562 . 6.000 4.554 3.621 5.362 . 0 0 "[ . 1]" 1
160 1 31 VAL QG 1 55 THR H 3.239 . 6.000 4.538 4.260 4.729 . 0 0 "[ . 1]" 1
161 1 73 GLU HA 1 74 VAL QG 2.315 . 2.985 2.243 2.194 2.281 . 0 0 "[ . 1]" 1
162 1 53 ALA H 1 55 THR H 3.171 . 4.428 4.312 4.203 4.412 . 0 0 "[ . 1]" 1
163 1 26 THR HA 1 27 GLY H 3.116 . 4.329 2.510 2.106 3.245 . 0 0 "[ . 1]" 1
164 1 38 ALA MB 1 60 LEU MD1 2.221 . 6.000 5.419 5.130 5.803 . 0 0 "[ . 1]" 1
165 1 51 ILE MD 1 66 GLN H 3.041 . 6.000 4.840 4.610 5.138 . 0 0 "[ . 1]" 1
166 1 38 ALA MB 1 51 ILE MD 1.983 . 2.475 1.695 1.648 1.779 . 0 0 "[ . 1]" 1
167 1 65 TRP H 1 67 TYR QB 3.396 . 6.000 5.199 5.013 5.367 . 0 0 "[ . 1]" 1
168 1 48 GLU HB2 1 51 ILE MD 2.184 . 6.000 4.113 3.452 4.717 . 0 0 "[ . 1]" 1
169 1 29 LEU QB 1 32 ASP HB3 2.353 . 6.000 5.575 4.965 6.095 0.095 4 0 "[ . 1]" 1
170 1 67 TYR QB 1 69 PRO QD 2.906 . 3.962 3.482 3.452 3.511 . 0 0 "[ . 1]" 1
171 1 28 SER QB 1 29 LEU QD 2.615 . 3.470 2.661 2.066 3.154 . 0 0 "[ . 1]" 1
172 1 28 SER HA 1 28 SER QB 1.999 . 2.498 2.059 1.948 2.130 . 0 0 "[ . 1]" 1
173 1 28 SER QB 1 29 LEU QB 2.687 . 3.589 3.357 2.845 3.681 0.092 9 0 "[ . 1]" 1
174 1 60 LEU QD 2 38 LYS QD 3.177 . 6.000 4.723 3.777 5.439 . 0 0 "[ . 1]" 1
175 1 60 LEU MD1 2 43 LYS QD 3.149 . 6.000 3.388 2.555 3.694 . 0 0 "[ . 1]" 1
176 1 60 LEU MD1 2 43 LYS QG 2.986 . 6.000 2.668 2.272 3.016 . 0 0 "[ . 1]" 1
177 1 74 VAL QG 2 60 MET ME 2.783 . 3.751 1.924 1.714 2.165 0.101 7 0 "[ . 1]" 1
178 1 74 VAL QG 2 43 LYS HE3 2.862 . 6.000 2.872 2.019 3.182 . 0 0 "[ . 1]" 1
179 1 61 GLU QB 2 38 LYS QE 3.229 . 4.533 3.182 2.018 4.229 . 0 0 "[ . 1]" 1
180 1 60 LEU QD 2 38 LYS QE 2.930 . 6.000 3.964 2.726 5.065 . 0 0 "[ . 1]" 1
181 1 56 LEU QB 2 57 TYR QB 3.344 . 4.742 3.837 2.834 4.583 . 0 0 "[ . 1]" 1
182 2 26 ILE MG 2 68 ASN QB 2.753 . 3.700 1.789 1.674 1.898 0.132 10 0 "[ . 1]" 1
183 2 34 VAL QG 2 68 ASN QB 2.652 . 3.531 1.790 1.677 1.897 0.096 10 0 "[ . 1]" 1
184 2 26 ILE HB 2 26 ILE MG 2.047 . 2.571 1.922 1.889 1.954 . 0 0 "[ . 1]" 1
185 2 26 ILE HA 2 26 ILE HB 2.818 . 3.810 2.892 2.793 2.938 . 0 0 "[ . 1]" 1
186 2 36 PHE QD 2 39 GLU HG3 2.803 . 6.000 6.133 5.966 6.485 0.485 5 0 "[ . 1]" 1
187 2 39 GLU HA 2 39 GLU HG3 2.396 . 3.114 2.432 2.400 2.522 . 0 0 "[ . 1]" 1
188 2 73 GLU QB 2 73 GLU HG2 2.313 . 2.982 2.361 2.330 2.398 . 0 0 "[ . 1]" 1
189 2 34 VAL QG 2 73 GLU HG2 2.488 . 3.262 3.161 3.085 3.373 0.111 2 0 "[ . 1]" 1
190 2 39 GLU HG3 2 44 ARG HB2 2.912 . 3.972 3.684 3.496 3.887 . 0 0 "[ . 1]" 1
191 2 39 GLU HG2 2 44 ARG HB2 2.813 . 3.802 3.027 2.305 3.811 0.009 1 0 "[ . 1]" 1
192 2 29 GLU QB 2 29 GLU QG 2.366 . 3.066 2.007 1.979 2.084 . 0 0 "[ . 1]" 1
193 2 29 GLU QG 2 57 TYR QR 2.887 . 3.929 2.833 2.453 4.013 0.084 7 0 "[ . 1]" 1
194 2 63 LYS QD 2 67 LEU MD1 2.079 . 2.619 2.439 2.314 2.528 . 0 0 "[ . 1]" 1
195 2 27 LEU QD 2 27 LEU HG 1.680 . 2.033 1.683 1.680 1.684 . 0 0 "[ . 1]" 1
196 2 24 PRO HB3 2 27 LEU QD 2.296 . 2.955 1.885 1.760 1.999 . 0 0 "[ . 1]" 1
197 2 24 PRO HG3 2 27 LEU QD 2.378 . 6.000 3.476 3.321 3.598 . 0 0 "[ . 1]" 1
198 2 25 ALA MB 2 27 LEU QD 2.197 . 6.000 2.548 2.329 2.979 . 0 0 "[ . 1]" 1
199 2 24 PRO HD2 2 27 LEU QD 2.592 . 6.000 4.055 3.799 4.133 . 0 0 "[ . 1]" 1
200 2 34 VAL MG1 2 34 VAL MG2 1.687 . 2.043 1.882 1.788 2.067 0.024 7 0 "[ . 1]" 1
201 2 27 LEU QD 2 77 ARG HA 2.598 . 6.000 3.934 3.477 4.274 . 0 0 "[ . 1]" 1
202 2 24 PRO HB3 2 27 LEU QD 2.222 . 2.839 2.035 1.840 2.221 . 0 0 "[ . 1]" 1
203 2 27 LEU HB2 2 27 LEU QD 2.082 . 2.624 1.894 1.872 1.963 . 0 0 "[ . 1]" 1
204 2 79 ASP HA 2 80 VAL QG 2.132 . 6.000 3.709 3.619 3.770 . 0 0 "[ . 1]" 1
205 2 40 THR HA 2 40 THR MG 2.042 . 2.563 2.135 2.006 2.348 . 0 0 "[ . 1]" 1
206 2 40 THR HB 2 40 THR MG 1.884 . 2.328 1.903 1.901 1.904 . 0 0 "[ . 1]" 1
207 1 64 GLU QB 2 40 THR MG 2.647 . 3.523 3.433 3.082 3.742 0.219 6 0 "[ . 1]" 1
208 1 64 GLU QG 2 40 THR MG 2.303 . 2.966 2.191 1.914 2.569 . 0 0 "[ . 1]" 1
209 2 36 PHE HA 2 47 VAL QG 2.268 . 6.000 2.705 2.466 3.020 . 0 0 "[ . 1]" 1
210 2 34 VAL HA 2 47 VAL QG 2.433 . 6.000 3.553 3.451 3.665 . 0 0 "[ . 1]" 1
211 1 57 ASP HA 2 47 VAL QG 2.701 . 3.613 3.575 3.216 4.316 0.703 2 1 "[ + . 1]" 1
212 2 47 VAL HB 2 47 VAL QG 1.647 . 1.986 1.688 1.666 1.724 . 0 0 "[ . 1]" 1
213 2 45 ARG HG2 2 47 VAL QG 2.432 . 3.171 1.739 1.690 1.784 0.003 2 0 "[ . 1]" 1
214 2 68 ASN QB 2 69 VAL MG1 2.610 . 6.000 2.944 2.726 3.113 . 0 0 "[ . 1]" 1
215 2 69 VAL HB 2 69 VAL MG1 1.875 . 2.315 1.889 1.887 1.893 . 0 0 "[ . 1]" 1
216 2 69 VAL MG1 2 73 GLU QB 2.599 . 3.443 2.118 1.874 3.559 0.116 2 0 "[ . 1]" 1
217 2 27 LEU HB2 2 75 VAL MG1 2.676 . 6.000 4.515 4.433 4.614 . 0 0 "[ . 1]" 1
218 2 28 ALA MB 2 69 VAL MG1 2.187 . 6.000 3.386 3.195 3.606 . 0 0 "[ . 1]" 1
219 2 50 PRO HA 2 51 VAL MG1 2.839 . 3.846 2.740 2.649 2.934 . 0 0 "[ . 1]" 1
220 2 51 VAL MG1 2 74 ARG QD 2.733 . 3.667 3.364 2.912 3.746 0.079 3 0 "[ . 1]" 1
221 2 27 LEU HB2 2 80 VAL QG 2.439 . 3.183 2.357 2.076 2.556 . 0 0 "[ . 1]" 1
222 2 32 GLY HA3 2 48 ILE MG 2.463 . 3.221 2.978 2.689 3.225 0.004 3 0 "[ . 1]" 1
223 2 32 GLY HA2 2 48 ILE MG 2.595 . 6.000 4.091 3.847 4.310 . 0 0 "[ . 1]" 1
224 2 30 ILE MD 2 48 ILE MG 1.772 . 2.165 1.899 1.871 1.925 . 0 0 "[ . 1]" 1
225 2 30 ILE MG 2 57 TYR QR 2.747 . 6.000 3.977 3.649 4.241 . 0 0 "[ . 1]" 1
226 2 33 ILE MG 2 74 ARG HA 2.550 . 6.000 3.426 3.338 3.563 . 0 0 "[ . 1]" 1
227 2 33 ILE HB 2 33 ILE MG 1.930 . 2.396 1.893 1.892 1.894 . 0 0 "[ . 1]" 1
228 2 26 ILE HB 2 81 ILE MG 2.034 . 2.551 2.434 2.265 2.596 0.045 1 0 "[ . 1]" 1
229 2 51 VAL MG2 2 74 ARG QD 2.596 . 3.439 2.918 2.399 3.269 . 0 0 "[ . 1]" 1
230 1 76 ARG HA 2 60 MET ME 2.865 . 3.891 3.483 2.734 3.861 . 0 0 "[ . 1]" 1
231 1 67 TYR HA 2 60 MET ME 2.901 . 6.000 5.513 5.354 5.712 . 0 0 "[ . 1]" 1
232 1 60 LEU HA 2 60 MET ME 2.215 . 6.000 4.028 3.151 4.733 . 0 0 "[ . 1]" 1
233 2 25 ALA MB 2 83 ASP QB 2.482 . 6.000 4.661 4.335 5.005 . 0 0 "[ . 1]" 1
234 2 24 PRO HB3 2 25 ALA MB 2.616 . 6.000 5.021 4.895 5.098 . 0 0 "[ . 1]" 1
235 2 25 ALA MB 2 26 ILE MD 2.192 . 6.000 2.546 2.353 2.873 . 0 0 "[ . 1]" 1
236 2 28 ALA MB 2 31 SER HA 3.044 . 4.202 3.611 3.362 3.759 . 0 0 "[ . 1]" 1
237 2 28 ALA MB 2 34 VAL HB 2.454 . 3.206 2.926 2.774 3.276 0.070 7 0 "[ . 1]" 1
238 2 26 ILE HB 2 26 ILE MG 2.012 . 2.518 1.906 1.871 1.934 . 0 0 "[ . 1]" 1
239 2 34 VAL QG 2 46 LEU HG 2.442 . 6.000 3.317 2.513 3.937 . 0 0 "[ . 1]" 1
240 1 61 GLU QB 2 38 LYS QG 2.531 . 6.000 4.302 3.862 4.746 . 0 0 "[ . 1]" 1
241 2 38 LYS QB 2 38 LYS QG 1.980 . 2.396 1.818 1.812 1.823 . 0 0 "[ . 1]" 1
242 1 60 LEU QD 2 38 LYS QG 2.824 . 6.000 5.101 4.355 5.591 . 0 0 "[ . 1]" 1
243 1 76 ARG H 2 43 LYS QG 3.276 . 4.618 4.461 3.872 4.700 0.082 4 0 "[ . 1]" 1
244 1 76 ARG HA 2 43 LYS QG 3.112 . 4.323 3.764 3.575 3.969 . 0 0 "[ . 1]" 1
245 2 43 LYS HE3 2 43 LYS QG 2.213 . 2.825 2.359 2.125 2.670 . 0 0 "[ . 1]" 1
246 2 43 LYS HB2 2 43 LYS QG 2.037 . 2.556 1.958 1.940 1.969 . 0 0 "[ . 1]" 1
247 2 63 LYS QB 2 64 TRP HD1 3.082 . 4.269 3.276 2.952 3.599 . 0 0 "[ . 1]" 1
248 2 35 SER HA 2 35 SER HB2 2.184 . 2.780 2.038 1.963 2.153 . 0 0 "[ . 1]" 1
249 2 38 LYS HA 2 38 LYS QG 2.552 . 3.366 3.337 3.273 3.386 0.020 9 0 "[ . 1]" 1
250 2 33 ILE MG 2 35 SER HA 2.742 . 3.682 3.639 3.581 3.765 0.083 2 0 "[ . 1]" 1
251 2 27 LEU QD 2 29 GLU HA 2.725 . 6.000 2.727 2.362 3.208 . 0 0 "[ . 1]" 1
252 1 81 VAL MG2 2 29 GLU HA 2.883 . 6.000 5.970 4.789 6.439 0.439 3 0 "[ . 1]" 1
253 2 27 LEU HB2 2 29 GLU HA 2.055 . 6.000 4.392 3.254 4.718 . 0 0 "[ . 1]" 1
254 2 29 GLU HA 2 29 GLU QB 2.290 . 2.945 2.403 2.367 2.435 . 0 0 "[ . 1]" 1
255 2 24 PRO HG3 2 29 GLU HA 2.131 . 6.000 5.459 4.123 6.027 0.027 9 0 "[ . 1]" 1
256 2 27 LEU QD 2 29 GLU HA 3.065 . 4.239 2.697 2.353 3.130 . 0 0 "[ . 1]" 1
257 2 33 ILE MD 2 73 GLU HA 2.651 . 3.529 3.249 3.149 3.489 . 0 0 "[ . 1]" 1
258 2 73 GLU HA 2 73 GLU QB 2.113 . 2.671 2.417 2.390 2.433 . 0 0 "[ . 1]" 1
259 1 76 ARG QG 2 65 ARG HA 2.477 . 6.000 5.102 4.920 5.356 . 0 0 "[ . 1]" 1
260 2 26 ILE MG 2 65 ARG HA 2.773 . 6.000 5.984 5.868 6.079 0.079 5 0 "[ . 1]" 1
261 2 27 LEU QD 2 83 ASP HA 2.026 . 2.539 1.977 1.737 2.447 . 0 0 "[ . 1]" 1
262 2 24 PRO HG3 2 83 ASP HA 2.585 . 6.000 4.689 4.612 4.857 . 0 0 "[ . 1]" 1
263 2 79 ASP HA 2 79 ASP QB 1.906 . 2.360 2.049 2.006 2.170 . 0 0 "[ . 1]" 1
264 2 36 PHE QD 2 44 ARG QG 3.078 . 4.262 2.601 2.141 3.019 . 0 0 "[ . 1]" 1
265 2 36 PHE QD 2 44 ARG HB3 3.054 . 4.220 4.209 3.987 4.356 0.136 10 0 "[ . 1]" 1
266 1 56 LEU QD 2 57 TYR QD 2.530 . 3.330 2.164 1.944 2.723 . 0 0 "[ . 1]" 1
267 1 56 LEU QB 2 57 TYR QD 2.900 . 3.951 3.695 3.428 3.948 . 0 0 "[ . 1]" 1
268 1 79 PRO HB2 2 57 TYR QD 3.084 . 6.000 4.605 3.346 4.953 . 0 0 "[ . 1]" 1
269 2 36 PHE QE 2 46 LEU HB2 3.157 . 6.000 3.627 2.585 5.035 . 0 0 "[ . 1]" 1
270 2 36 PHE QE 2 44 ARG QG 2.843 . 3.853 3.187 2.818 3.375 . 0 0 "[ . 1]" 1
271 2 36 PHE QE 2 46 LEU HG 2.934 . 4.010 4.047 3.892 4.107 0.097 3 0 "[ . 1]" 1
272 2 36 PHE QE 2 46 LEU HB3 3.111 . 4.320 4.281 3.913 4.705 0.385 8 0 "[ . 1]" 1
273 2 36 PHE HB2 2 36 PHE QE 2.938 . 4.017 3.061 2.819 3.476 . 0 0 "[ . 1]" 1
274 2 43 LYS QD 2 64 TRP HH2 2.865 . 6.000 4.240 3.768 4.877 . 0 0 "[ . 1]" 1
275 1 56 LEU QD 2 58 GLU HA 2.827 . 3.826 3.282 3.177 3.445 . 0 0 "[ . 1]" 1
276 2 27 LEU HA 2 28 ALA MB 2.605 . 6.000 3.958 3.898 4.003 . 0 0 "[ . 1]" 1
277 2 26 ILE MG 2 27 LEU HA 2.165 . 6.000 1.883 1.758 2.143 . 0 0 "[ . 1]" 1
278 2 60 MET HA 2 60 MET HB3 2.400 . 3.120 2.381 2.328 2.419 . 0 0 "[ . 1]" 1
279 2 60 MET HA 2 60 MET HB2 2.545 . 3.355 2.296 2.205 2.368 . 0 0 "[ . 1]" 1
280 2 45 ARG HA 2 45 ARG QB 2.385 . 3.096 2.197 2.154 2.222 . 0 0 "[ . 1]" 1
281 2 45 ARG HA 2 46 LEU QD 2.847 . 6.000 3.997 3.400 4.182 . 0 0 "[ . 1]" 1
282 2 70 PHE HA 2 71 GLU HB3 2.690 . 6.000 4.185 4.123 4.236 . 0 0 "[ . 1]" 1
283 1 77 VAL QG 2 59 GLU HA 2.720 . 3.644 2.950 2.739 3.164 . 0 0 "[ . 1]" 1
284 1 60 LEU MD1 2 59 GLU HA 2.452 . 3.203 2.672 2.198 3.049 . 0 0 "[ . 1]" 1
285 2 47 VAL HA 2 47 VAL HB 2.476 . 3.242 2.042 1.878 2.165 . 0 0 "[ . 1]" 1
286 2 27 LEU HB3 2 80 VAL HA 3.103 . 6.000 4.982 4.827 5.235 . 0 0 "[ . 1]" 1
287 2 46 LEU QD 2 67 LEU HB3 2.697 . 6.000 3.844 3.241 4.256 . 0 0 "[ . 1]" 1
288 2 67 LEU HB3 2 67 LEU QD 2.274 . 2.921 2.095 2.075 2.117 . 0 0 "[ . 1]" 1
289 2 46 LEU HB3 2 46 LEU HG 2.431 . 3.170 2.291 2.242 2.346 . 0 0 "[ . 1]" 1
290 2 44 ARG QD 2 67 LEU QD 2.567 . 3.391 2.026 1.811 2.414 . 0 0 "[ . 1]" 1
291 2 44 ARG HB2 2 44 ARG QD 2.108 . 2.663 1.940 1.881 1.963 . 0 0 "[ . 1]" 1
292 2 44 ARG QD 2 44 ARG QG 2.228 . 2.848 2.008 1.971 2.020 . 0 0 "[ . 1]" 1
293 2 44 ARG QD 2 63 LYS HA 3.553 . 5.131 3.669 3.483 4.003 . 0 0 "[ . 1]" 1
294 2 44 ARG HA 2 44 ARG QD 3.139 . 4.578 3.927 3.466 4.044 . 0 0 "[ . 1]" 1
295 1 68 VAL MG1 2 41 LYS HB3 2.854 . 6.000 4.921 3.270 5.573 . 0 0 "[ . 1]" 1
296 2 40 THR HA 2 41 LYS HB3 2.511 . 6.000 5.245 4.298 5.821 . 0 0 "[ . 1]" 1
297 2 31 SER HA 2 52 ASP HB2 2.651 . 6.000 4.972 4.360 5.742 . 0 0 "[ . 1]" 1
298 2 27 LEU QD 2 78 GLY HA2 2.284 . 2.936 1.708 1.589 1.811 0.043 9 0 "[ . 1]" 1
299 2 28 ALA MB 2 50 PRO HD3 2.682 . 6.000 6.139 6.086 6.231 0.231 2 0 "[ . 1]" 1
300 2 24 PRO HD3 2 25 ALA HA 2.802 . 6.000 5.192 4.759 5.638 . 0 0 "[ . 1]" 1
301 2 27 LEU QD 2 28 ALA HA 2.092 . 6.000 2.493 2.212 2.707 . 0 0 "[ . 1]" 1
302 1 56 LEU QD 2 56 PRO HD3 2.560 . 6.000 4.887 4.599 5.048 . 0 0 "[ . 1]" 1
303 1 56 LEU QD 2 56 PRO HD2 2.515 . 6.000 4.550 4.177 4.884 . 0 0 "[ . 1]" 1
304 2 24 PRO HB3 2 24 PRO HD3 2.028 . 2.542 2.604 2.574 2.626 0.084 7 0 "[ . 1]" 1
305 2 30 ILE MD 2 32 GLY HA3 2.793 . 3.768 3.819 3.707 3.865 0.097 8 0 "[ . 1]" 1
306 2 32 GLY HA3 2 51 VAL QG 2.978 . 4.086 2.514 2.305 2.843 . 0 0 "[ . 1]" 1
307 2 43 LYS QD 2 43 LYS HE3 2.008 . 2.512 1.892 1.842 1.952 . 0 0 "[ . 1]" 1
308 1 80 CYS HA 2 57 TYR QE 3.190 . 4.462 4.387 4.231 4.556 0.094 2 0 "[ . 1]" 1
309 2 27 LEU HB2 2 28 ALA HA 2.798 . 6.000 4.456 4.344 4.627 . 0 0 "[ . 1]" 1
310 2 27 LEU QD 2 77 ARG HA 2.884 . 3.924 3.629 3.339 3.765 . 0 0 "[ . 1]" 1
311 2 28 ALA MB 2 77 ARG HA 2.072 . 2.609 2.342 2.292 2.382 . 0 0 "[ . 1]" 1
312 2 31 SER QB 2 76 GLU HB3 2.727 . 6.000 3.969 3.193 4.241 . 0 0 "[ . 1]" 1
313 2 50 PRO HB2 2 54 SER HB2 2.852 . 6.000 4.572 3.569 5.040 . 0 0 "[ . 1]" 1
314 2 33 ILE MG 2 35 SER HB3 2.736 . 3.671 3.076 2.951 3.291 . 0 0 "[ . 1]" 1
315 2 33 ILE MG 2 35 SER HB2 2.586 . 3.422 3.040 2.734 3.621 0.199 2 0 "[ . 1]" 1
316 1 76 ARG QB 2 62 PRO HA 2.222 . 6.000 5.656 5.393 5.977 . 0 0 "[ . 1]" 1
317 2 43 LYS HB2 2 62 PRO HA 2.503 . 3.286 3.530 3.316 3.677 0.391 5 0 "[ . 1]" 1
318 2 43 LYS QD 2 62 PRO HA 2.398 . 3.117 2.207 2.012 2.415 . 0 0 "[ . 1]" 1
319 2 80 VAL HA 2 80 VAL QG 1.889 . 2.335 2.277 2.120 2.315 . 0 0 "[ . 1]" 1
320 2 26 ILE HG12 2 82 SER HB3 2.111 . 6.000 2.223 1.887 2.335 . 0 0 "[ . 1]" 1
321 2 27 LEU HA 2 80 VAL HA 2.223 . 6.000 5.227 4.724 5.512 . 0 0 "[ . 1]" 1
322 2 40 THR HB 2 40 THR HG1 1.958 . 2.437 1.849 1.797 1.877 . 0 0 "[ . 1]" 1
323 1 64 GLU HG2 2 40 THR HB 3.105 . 4.310 3.791 2.658 4.345 0.035 8 0 "[ . 1]" 1
324 2 40 THR HA 2 40 THR HB 2.059 . 2.589 2.481 2.315 2.684 0.095 5 0 "[ . 1]" 1
325 2 33 ILE MD 2 49 THR HB 2.486 . 6.000 3.495 3.395 3.579 . 0 0 "[ . 1]" 1
326 2 33 ILE HA 2 49 THR HB 2.562 . 6.000 4.046 3.976 4.135 . 0 0 "[ . 1]" 1
327 2 74 ARG HD3 2 74 ARG QG 1.858 . 2.290 2.144 2.081 2.245 . 0 0 "[ . 1]" 1
328 2 51 VAL QG 2 74 ARG HD3 2.518 . 3.310 2.938 2.477 3.192 . 0 0 "[ . 1]" 1
329 2 51 VAL QG 2 74 ARG HD2 2.580 . 3.412 3.222 3.001 3.463 0.051 10 0 "[ . 1]" 1
330 2 74 ARG HD2 2 74 ARG QG 1.967 . 2.451 2.193 2.121 2.285 . 0 0 "[ . 1]" 1
331 2 43 LYS QD 2 43 LYS HE2 2.397 . 3.115 2.069 2.009 2.138 . 0 0 "[ . 1]" 1
332 2 43 LYS QD 2 43 LYS HE3 2.139 . 2.711 2.057 1.975 2.115 . 0 0 "[ . 1]" 1
333 2 44 ARG HA 2 44 ARG HB2 2.219 . 2.835 2.113 2.052 2.213 . 0 0 "[ . 1]" 1
334 2 27 LEU HG 2 83 ASP HA 2.479 . 3.247 2.976 2.955 3.010 . 0 0 "[ . 1]" 1
335 2 26 ILE HA 2 26 ILE MD 1.950 . 2.425 2.002 1.975 2.034 . 0 0 "[ . 1]" 1
336 2 26 ILE HA 2 26 ILE HB 2.520 . 3.314 2.908 2.903 2.916 . 0 0 "[ . 1]" 1
337 2 30 ILE HA 2 30 ILE MD 2.279 . 6.000 3.872 3.668 3.950 . 0 0 "[ . 1]" 1
338 2 44 ARG HB2 2 63 LYS HA 2.176 . 2.768 2.547 2.225 2.839 0.071 7 0 "[ . 1]" 1
339 2 63 LYS HA 2 63 LYS QB 2.055 . 2.583 2.488 2.400 2.539 . 0 0 "[ . 1]" 1
340 2 71 GLU HA 2 71 GLU QB 2.016 . 2.524 2.167 2.162 2.171 . 0 0 "[ . 1]" 1
341 2 44 ARG QD 2 63 LYS HA 2.594 . 3.435 3.366 3.255 3.492 0.057 5 0 "[ . 1]" 1
342 2 33 ILE HG12 2 49 THR HA 2.712 . 6.000 4.496 4.030 4.705 . 0 0 "[ . 1]" 1
343 2 33 ILE HB 2 49 THR HA 3.077 . 6.000 4.294 4.104 4.497 . 0 0 "[ . 1]" 1
344 2 51 VAL HB 2 51 VAL QG 1.944 . 2.416 1.894 1.891 1.897 . 0 0 "[ . 1]" 1
345 2 74 ARG HB2 2 74 ARG QD 2.422 . 3.155 2.318 2.233 2.382 . 0 0 "[ . 1]" 1
346 2 74 ARG HB3 2 74 ARG QD 2.460 . 6.000 3.294 3.283 3.305 . 0 0 "[ . 1]" 1
347 2 63 LYS HB3 2 63 LYS QD 2.029 . 2.543 2.104 2.083 2.133 . 0 0 "[ . 1]" 1
348 2 33 ILE MD 2 74 ARG HB2 2.489 . 3.263 1.856 1.805 2.042 . 0 0 "[ . 1]" 1
349 2 33 ILE MD 2 74 ARG HB3 2.428 . 3.165 3.310 3.273 3.340 0.175 7 0 "[ . 1]" 1
350 2 62 PRO HA 2 65 ARG QG 2.822 . 4.439 3.982 3.730 4.199 . 0 0 "[ . 1]" 1
351 2 33 ILE HB 2 33 ILE HG12 1.986 . 2.479 2.158 2.140 2.175 . 0 0 "[ . 1]" 1
352 2 33 ILE MD 2 33 ILE HG12 1.886 . 2.330 2.090 2.087 2.092 . 0 0 "[ . 1]" 1
353 2 74 ARG QD 2 74 ARG QG 2.007 . 2.511 2.014 1.969 2.052 . 0 0 "[ . 1]" 1
354 2 24 PRO HG3 2 29 GLU HA 2.300 . 6.000 4.581 3.971 5.099 . 0 0 "[ . 1]" 1
355 1 55 THR MG 2 56 PRO QG 2.466 . 6.000 3.817 2.900 5.243 . 0 0 "[ . 1]" 1
356 2 24 PRO HG3 2 27 LEU QD 2.574 . 6.000 3.735 3.450 3.949 . 0 0 "[ . 1]" 1
357 2 26 ILE HG13 2 68 ASN QB 2.168 . 6.000 4.815 4.661 5.035 . 0 0 "[ . 1]" 1
358 2 25 ALA HA 2 26 ILE HG13 2.486 . 6.000 4.362 4.067 5.176 . 0 0 "[ . 1]" 1
359 2 50 PRO HB2 2 50 PRO HB3 1.705 . 2.069 1.662 1.651 1.675 . 0 0 "[ . 1]" 1
360 2 24 PRO HA 2 24 PRO HG2 2.438 . 3.181 2.948 2.451 3.208 0.027 10 0 "[ . 1]" 1
361 2 24 PRO HD2 2 24 PRO HG2 2.336 . 3.018 2.319 2.298 2.338 . 0 0 "[ . 1]" 1
362 2 33 ILE MD 2 74 ARG QD 2.416 . 3.146 2.243 1.961 2.574 . 0 0 "[ . 1]" 1
363 2 30 ILE MD 2 56 PRO HA 2.716 . 3.638 2.887 2.643 3.103 . 0 0 "[ . 1]" 1
364 2 30 ILE MD 2 50 PRO HB2 2.259 . 2.897 2.463 2.284 2.621 . 0 0 "[ . 1]" 1
365 2 29 GLU HB3 2 30 ILE MG 2.966 . 4.066 3.027 2.847 3.207 . 0 0 "[ . 1]" 1
366 1 60 LEU MD1 2 43 LYS QD 2.635 . 6.000 3.376 2.553 3.676 . 0 0 "[ . 1]" 1
367 1 75 THR HA 2 43 LYS QD 2.850 . 3.865 2.438 2.043 2.716 . 0 0 "[ . 1]" 1
368 2 24 PRO HD2 2 27 LEU QD 2.086 . 6.000 4.260 4.078 4.415 . 0 0 "[ . 1]" 1
369 2 25 ALA MB 2 27 LEU QD 2.079 . 6.000 2.640 2.357 3.214 . 0 0 "[ . 1]" 1
370 2 24 PRO HB3 2 27 LEU QD 2.527 . 3.325 2.058 1.849 2.264 . 0 0 "[ . 1]" 1
371 2 36 PHE QD 2 44 ARG HB2 3.212 . 4.502 4.220 3.956 4.305 . 0 0 "[ . 1]" 1
372 2 44 ARG HA 2 44 ARG HB2 2.519 . 3.312 2.290 2.170 2.374 . 0 0 "[ . 1]" 1
373 2 47 VAL HA 2 58 GLU QB 2.755 . 3.703 3.175 3.063 3.302 . 0 0 "[ . 1]" 1
374 2 24 PRO HB2 2 26 ILE HA 2.976 . 6.000 4.569 4.031 4.918 . 0 0 "[ . 1]" 1
375 1 57 ASP HA 2 56 PRO HB3 2.826 . 6.000 5.180 4.355 5.605 . 0 0 "[ . 1]" 1
376 1 55 THR MG 2 56 PRO HB3 2.590 . 6.000 4.148 3.422 4.911 . 0 0 "[ . 1]" 1
377 2 24 PRO HB2 2 27 LEU QD 2.313 . 2.982 2.895 2.456 3.296 0.314 1 0 "[ . 1]" 1
378 2 42 GLY HA2 2 63 LYS HB2 2.300 . 2.961 2.401 2.314 2.463 . 0 0 "[ . 1]" 1
379 2 44 ARG HB3 2 63 LYS HA 2.274 . 2.921 2.442 2.338 2.486 . 0 0 "[ . 1]" 1
380 2 44 ARG HB3 2 44 ARG QD 2.615 . 3.470 1.990 1.870 2.230 . 0 0 "[ . 1]" 1
381 2 63 LYS QB 2 63 LYS HG3 2.323 . 2.997 2.107 2.086 2.118 . 0 0 "[ . 1]" 1
382 2 33 ILE HB 2 71 GLU HB2 2.018 . 6.000 6.124 6.089 6.153 0.153 6 0 "[ . 1]" 1
383 2 69 VAL QG 2 73 GLU HB3 2.494 . 3.272 2.303 2.186 2.397 . 0 0 "[ . 1]" 1
384 2 34 VAL HB 2 71 GLU HA 2.651 . 6.000 4.363 3.382 4.629 . 0 0 "[ . 1]" 1
385 2 50 PRO HB2 2 50 PRO HD2 2.673 . 6.000 4.009 3.999 4.018 . 0 0 "[ . 1]" 1
386 2 69 VAL HA 2 69 VAL HB 2.240 . 2.867 2.239 2.231 2.250 . 0 0 "[ . 1]" 1
387 2 44 ARG HB2 2 67 LEU MD1 3.130 . 4.355 2.583 1.904 3.019 0.001 1 0 "[ . 1]" 1
388 2 34 VAL QG 2 73 GLU HB2 2.411 . 3.137 1.991 1.914 2.152 . 0 0 "[ . 1]" 1
389 2 38 LYS QE 2 38 LYS QG 1.989 . 2.483 2.239 2.085 2.354 . 0 0 "[ . 1]" 1
390 2 28 ALA MB 2 68 ASN QB 3.426 . 4.893 3.194 2.981 3.401 . 0 0 "[ . 1]" 1
391 2 34 VAL HA 2 46 LEU HG 2.898 . 6.000 4.713 4.183 5.955 . 0 0 "[ . 1]" 1
392 2 36 PHE HB3 2 44 ARG QG 2.468 . 3.229 2.285 2.101 2.615 . 0 0 "[ . 1]" 1
393 2 68 ASN QB 2 69 VAL MG2 2.839 . 6.000 3.664 3.126 3.895 . 0 0 "[ . 1]" 1
394 2 28 ALA HA 2 75 VAL MG2 2.762 . 6.000 3.802 3.677 3.946 . 0 0 "[ . 1]" 1
395 2 31 SER HA 2 75 VAL MG2 2.211 . 6.000 2.869 2.758 3.020 . 0 0 "[ . 1]" 1
396 2 80 VAL QG 2 81 ILE HG13 2.066 . 2.600 2.093 2.088 2.100 . 0 0 "[ . 1]" 1
397 2 81 ILE MD 2 81 ILE HG12 2.141 . 2.714 2.091 2.088 2.093 . 0 0 "[ . 1]" 1
398 2 44 ARG HA 2 44 ARG QG 2.841 . 3.850 2.488 2.401 2.643 . 0 0 "[ . 1]" 1
399 1 79 PRO HD2 2 59 GLU QB 2.888 . 3.931 3.273 2.915 3.693 . 0 0 "[ . 1]" 1
400 2 38 LYS HA 2 38 LYS QE 2.648 . 6.000 4.360 4.265 4.542 . 0 0 "[ . 1]" 1
401 2 39 GLU QB 2 39 GLU HG2 2.391 . 3.106 2.035 2.005 2.115 . 0 0 "[ . 1]" 1
402 2 44 ARG QG 2 71 GLU HB2 2.541 . 6.000 6.155 6.100 6.214 0.214 2 0 "[ . 1]" 1
403 2 34 VAL QG 2 71 GLU HB2 2.635 . 6.000 4.464 4.234 4.586 . 0 0 "[ . 1]" 1
404 2 33 ILE MG 2 34 VAL H 2.363 . 3.061 2.654 2.529 2.743 . 0 0 "[ . 1]" 1
405 2 83 ASP H 2 83 ASP QB 2.554 . 3.370 2.629 2.259 2.845 . 0 0 "[ . 1]" 1
406 2 26 ILE MD 2 83 ASP H 2.837 . 6.000 4.171 3.985 4.451 . 0 0 "[ . 1]" 1
407 2 28 ALA MB 2 29 GLU H 2.616 . 3.472 2.168 2.140 2.207 . 0 0 "[ . 1]" 1
408 2 39 GLU H 2 44 ARG HG3 2.808 . 6.000 4.625 4.459 4.847 . 0 0 "[ . 1]" 1
409 2 33 ILE MD 2 49 THR H 2.878 . 3.913 3.748 3.379 3.854 . 0 0 "[ . 1]" 1
410 2 47 VAL QG 2 48 ILE H 2.456 . 6.000 3.256 2.985 3.302 . 0 0 "[ . 1]" 1
411 2 27 LEU QD 2 28 ALA H 2.634 . 6.000 2.242 1.952 2.406 . 0 0 "[ . 1]" 1
412 2 38 LYS H 2 38 LYS QB 2.224 . 2.842 2.123 1.790 2.520 . 0 0 "[ . 1]" 1
413 2 75 VAL QG 2 76 GLU H 2.466 . 3.226 3.098 2.976 3.217 . 0 0 "[ . 1]" 1
414 2 63 LYS H 2 63 LYS QB 2.569 . 3.394 2.113 2.058 2.185 . 0 0 "[ . 1]" 1
415 2 43 LYS QD 2 63 LYS H 2.750 . 3.695 3.185 3.015 3.332 . 0 0 "[ . 1]" 1
416 2 34 VAL HB 2 73 GLU H 2.619 . 6.000 4.374 3.173 4.572 . 0 0 "[ . 1]" 1
417 2 33 ILE MG 2 73 GLU H 2.820 . 3.814 2.846 2.548 3.185 . 0 0 "[ . 1]" 1
418 2 77 ARG HA 2 79 ASP H 2.780 . 3.746 2.783 2.721 2.858 . 0 0 "[ . 1]" 1
419 2 27 LEU QD 2 79 ASP H 2.759 . 6.000 3.728 3.443 3.849 . 0 0 "[ . 1]" 1
420 2 43 LYS H 2 43 LYS QD 2.770 . 3.729 3.278 2.686 3.814 0.085 9 0 "[ . 1]" 1
421 2 80 VAL H 2 80 VAL QG 2.533 . 6.000 2.708 2.641 2.878 . 0 0 "[ . 1]" 1
422 2 33 ILE H 2 33 ILE MD 2.567 . 3.391 3.241 3.090 3.311 . 0 0 "[ . 1]" 1
423 2 54 SER QB 2 55 ASP H 2.245 . 6.000 3.919 3.855 4.024 . 0 0 "[ . 1]" 1
424 2 43 LYS HA 2 44 ARG H 2.567 . 3.391 2.405 2.341 2.485 . 0 0 "[ . 1]" 1
425 2 43 LYS HB2 2 44 ARG H 2.540 . 3.346 2.818 2.761 2.857 . 0 0 "[ . 1]" 1
426 2 44 ARG H 2 44 ARG HB2 2.476 . 3.242 2.196 2.104 2.372 . 0 0 "[ . 1]" 1
427 2 50 PRO HB3 2 52 ASP H 2.876 . 3.910 3.738 3.573 3.830 . 0 0 "[ . 1]" 1
428 2 46 LEU QD 2 68 ASN H 2.773 . 3.734 3.696 3.547 3.859 0.125 10 0 "[ . 1]" 1
429 2 39 GLU HA 2 40 THR H 2.218 . 2.833 2.230 2.058 2.312 . 0 0 "[ . 1]" 1
430 2 39 GLU QB 2 40 THR H 2.582 . 3.415 2.429 2.060 3.264 . 0 0 "[ . 1]" 1
431 2 40 THR H 2 40 THR HG1 2.869 . 3.898 2.157 1.832 2.427 0.008 6 0 "[ . 1]" 1
432 2 50 PRO HB3 2 51 VAL H 2.726 . 3.655 3.420 3.368 3.498 . 0 0 "[ . 1]" 1
433 2 83 ASP QB 2 84 GLY H 2.644 . 3.518 2.847 2.744 2.989 . 0 0 "[ . 1]" 1
434 2 26 ILE MG 2 82 SER H 2.432 . 6.000 2.943 2.816 3.142 . 0 0 "[ . 1]" 1
435 2 32 GLY H 2 33 ILE HA 2.822 . 3.818 3.240 3.013 3.420 . 0 0 "[ . 1]" 1
436 2 68 ASN HA 2 69 VAL H 2.602 . 3.449 2.732 2.718 2.777 . 0 0 "[ . 1]" 1
437 2 67 LEU HB2 2 69 VAL H 2.677 . 6.000 4.017 3.536 4.643 . 0 0 "[ . 1]" 1
438 2 67 LEU QD 2 69 VAL H 2.765 . 6.000 4.085 3.499 4.423 . 0 0 "[ . 1]" 1
439 2 51 VAL HA 2 53 GLY H 2.290 . 2.946 2.650 2.316 2.935 . 0 0 "[ . 1]" 1
440 2 28 ALA MB 2 30 ILE H 2.593 . 3.433 2.558 2.466 2.632 . 0 0 "[ . 1]" 1
441 2 32 GLY H 2 33 ILE HG12 3.153 . 6.000 4.643 4.319 4.914 . 0 0 "[ . 1]" 1
442 2 37 GLY H 2 38 LYS H 3.116 . 4.330 3.816 3.569 3.973 . 0 0 "[ . 1]" 1
443 1 79 PRO QG 2 59 GLU H 3.160 . 4.408 3.872 3.801 3.927 . 0 0 "[ . 1]" 1
444 2 33 ILE MD 2 74 ARG H 2.799 . 3.778 3.221 3.051 3.346 . 0 0 "[ . 1]" 1
445 2 34 VAL HB 2 35 SER H 2.781 . 6.000 3.813 3.112 3.959 . 0 0 "[ . 1]" 1
446 2 34 VAL H 2 35 SER H 3.207 . 4.493 3.666 3.502 3.890 . 0 0 "[ . 1]" 1
447 1 79 PRO QG 2 58 GLU H 3.109 . 4.317 3.478 2.846 3.634 . 0 0 "[ . 1]" 1
448 1 56 LEU QD 2 57 TYR H 2.956 . 4.048 2.311 1.988 2.595 . 0 0 "[ . 1]" 1
449 2 28 ALA MB 2 49 THR H 3.031 . 6.000 6.080 6.016 6.122 0.122 9 0 "[ . 1]" 1
450 2 26 ILE HG13 2 66 GLN H 2.994 . 6.000 4.789 4.637 4.927 . 0 0 "[ . 1]" 1
451 2 29 GLU H 2 30 ILE MG 3.120 . 6.000 4.497 4.402 4.589 . 0 0 "[ . 1]" 1
452 2 67 LEU H 2 67 LEU QD 3.044 . 4.202 3.140 2.916 3.314 . 0 0 "[ . 1]" 1
453 2 46 LEU H 2 46 LEU QD 2.992 . 4.111 3.366 2.595 3.509 . 0 0 "[ . 1]" 1
454 2 45 ARG QB 2 46 LEU H 3.023 . 4.165 3.453 3.225 3.838 . 0 0 "[ . 1]" 1
455 2 26 ILE HA 2 68 ASN H 3.206 . 6.000 5.039 4.530 5.830 . 0 0 "[ . 1]" 1
456 1 67 TYR HA 1 72 PHE QD 2.969 . 4.071 3.713 2.555 4.110 0.039 7 0 "[ . 1]" 1
457 1 65 TRP HA 1 65 TRP HE1 2.737 . 6.000 4.784 4.761 4.814 . 0 0 "[ . 1]" 1
458 1 29 LEU HA 1 29 LEU HG 2.322 . 6.000 3.179 2.536 3.731 . 0 0 "[ . 1]" 1
459 1 80 CYS HA 1 81 VAL H 2.492 . 3.268 2.214 2.122 2.264 . 0 0 "[ . 1]" 1
460 1 81 VAL H 1 81 VAL HA 2.612 . 3.465 2.888 2.835 2.942 . 0 0 "[ . 1]" 1
461 1 81 VAL H 1 81 VAL HB 2.697 . 3.606 2.680 2.517 3.150 . 0 0 "[ . 1]" 1
462 1 53 ALA HA 1 62 LEU HG 2.660 . 6.000 5.762 5.258 6.013 0.013 8 0 "[ . 1]" 1
463 1 52 TYR H 1 52 TYR QD 2.736 . 3.672 2.723 2.166 3.364 . 0 0 "[ . 1]" 1
464 1 51 ILE HA 1 52 TYR H 2.668 . 3.558 2.209 2.159 2.289 . 0 0 "[ . 1]" 1
465 1 64 GLU QB 1 68 VAL MG1 2.344 . 6.000 3.683 3.483 3.835 . 0 0 "[ . 1]" 1
466 1 68 VAL HB 1 68 VAL MG1 2.018 . 2.527 2.124 2.121 2.127 . 0 0 "[ . 1]" 1
467 1 68 VAL MG1 1 72 PHE QB 2.675 . 6.000 4.213 3.699 4.765 . 0 0 "[ . 1]" 1
468 1 68 VAL MG1 1 69 PRO QD 2.628 . 6.000 3.587 3.539 3.661 . 0 0 "[ . 1]" 1
469 1 64 GLU HA 1 68 VAL MG1 2.130 . 2.697 2.638 2.358 2.753 0.056 2 0 "[ . 1]" 1
470 1 68 VAL MG1 1 73 GLU HA 2.533 . 3.335 2.796 1.872 3.358 0.023 9 0 "[ . 1]" 1
471 1 68 VAL HA 1 68 VAL MG1 2.111 . 2.668 2.294 2.282 2.308 . 0 0 "[ . 1]" 1
472 1 53 ALA MB 1 59 ALA MB 1.993 . 2.490 1.935 1.886 2.015 . 0 0 "[ . 1]" 1
473 1 53 ALA MB 1 59 ALA HA 2.202 . 2.808 2.341 2.091 2.542 . 0 0 "[ . 1]" 1
474 1 53 ALA MB 1 58 GLU QB 2.097 . 2.647 2.231 1.868 2.625 . 0 0 "[ . 1]" 1
475 1 53 ALA MB 1 58 GLU QG 2.196 . 2.799 2.241 2.036 2.698 . 0 0 "[ . 1]" 1
476 1 73 GLU QB 1 74 VAL H 2.703 . 6.000 3.829 3.668 3.969 . 0 0 "[ . 1]" 1
477 1 53 ALA HA 1 53 ALA MB 2.045 . 2.568 2.126 2.121 2.131 . 0 0 "[ . 1]" 1
478 1 39 THR MG 1 40 VAL H 2.841 . 6.000 3.727 2.889 4.225 . 0 0 "[ . 1]" 1
479 1 36 PHE QE 1 53 ALA MB 2.575 . 6.000 3.041 2.589 3.804 . 0 0 "[ . 1]" 1
480 1 77 VAL QG 1 78 ARG H 2.875 . 3.909 2.841 2.173 3.372 . 0 0 "[ . 1]" 1
481 1 36 PHE QD 1 53 ALA H 3.003 . 4.131 3.564 2.841 3.980 . 0 0 "[ . 1]" 1
482 1 55 THR HA 1 55 THR MG 2.353 . 3.045 2.285 2.201 2.333 . 0 0 "[ . 1]" 1
483 1 53 ALA H 1 53 ALA HA 2.903 . 3.956 2.892 2.880 2.908 . 0 0 "[ . 1]" 1
484 1 76 ARG HA 1 77 VAL H 2.874 . 3.906 2.505 2.373 2.628 . 0 0 "[ . 1]" 1
485 1 34 LYS HA 1 34 LYS QG 2.332 . 3.012 2.813 2.361 3.053 0.041 7 0 "[ . 1]" 1
486 1 55 THR HA 1 56 LEU H 2.982 . 4.094 2.424 2.269 2.576 . 0 0 "[ . 1]" 1
487 1 35 LYS QB 1 51 ILE H 2.927 . 6.000 5.546 4.937 6.038 0.038 5 0 "[ . 1]" 1
488 1 59 ALA MB 1 62 LEU MD1 2.648 . 6.000 4.001 3.738 4.294 . 0 0 "[ . 1]" 1
489 1 53 ALA MB 1 62 LEU MD1 2.038 . 2.557 2.050 1.897 2.257 . 0 0 "[ . 1]" 1
490 1 32 ASP H 1 33 ASN H 2.313 . 2.982 2.726 2.163 3.041 0.059 3 0 "[ . 1]" 1
491 1 31 VAL HA 1 32 ASP H 1.837 . 6.000 2.600 2.191 3.564 . 0 0 "[ . 1]" 1
492 1 58 GLU QG 1 62 LEU MD1 2.145 . 2.720 2.401 2.089 2.727 0.007 1 0 "[ . 1]" 1
493 1 59 ALA HA 1 62 LEU MD1 2.459 . 3.215 2.888 2.637 3.130 . 0 0 "[ . 1]" 1
494 1 62 LEU HA 1 62 LEU MD1 2.545 . 6.000 3.837 3.807 3.875 . 0 0 "[ . 1]" 1
495 1 40 VAL MG2 1 49 VAL QG 2.056 . 2.584 2.176 1.875 2.468 . 0 0 "[ . 1]" 1
496 1 40 VAL HB 1 40 VAL MG2 2.086 . 2.630 2.123 2.120 2.126 . 0 0 "[ . 1]" 1
497 1 38 ALA MB 1 40 VAL MG2 2.511 . 6.000 3.491 2.705 4.358 . 0 0 "[ . 1]" 1
498 1 40 VAL MG2 1 74 VAL HA 2.962 . 4.059 3.829 3.217 4.295 0.236 7 0 "[ . 1]" 1
499 1 40 VAL HA 1 40 VAL MG2 2.480 . 3.249 2.918 2.588 3.209 . 0 0 "[ . 1]" 1
500 1 40 VAL MG2 1 47 PHE QE 2.712 . 3.632 2.576 2.372 2.796 . 0 0 "[ . 1]" 1
501 1 40 VAL MG2 1 47 PHE QD 2.345 . 3.032 3.071 2.879 3.127 0.095 3 0 "[ . 1]" 1
502 1 56 LEU QD 1 59 ALA MB 2.180 . 6.000 3.305 2.731 4.122 . 0 0 "[ . 1]" 1
503 1 51 ILE MG 1 59 ALA MB 2.148 . 2.725 2.416 2.272 2.713 . 0 0 "[ . 1]" 1
504 1 56 LEU HA 1 59 ALA MB 2.632 . 3.498 2.769 2.470 3.090 . 0 0 "[ . 1]" 1
505 1 59 ALA HA 1 59 ALA MB 2.262 . 2.901 2.128 2.121 2.131 . 0 0 "[ . 1]" 1
506 1 58 GLU QB 1 59 ALA H 2.705 . 3.619 2.445 2.358 2.541 . 0 0 "[ . 1]" 1
507 1 36 PHE QE 1 59 ALA MB 2.948 . 4.035 2.741 2.420 3.246 . 0 0 "[ . 1]" 1
508 1 59 ALA H 1 59 ALA MB 2.535 . 3.338 2.232 2.222 2.242 . 0 0 "[ . 1]" 1
509 1 51 ILE QG 1 51 ILE MG 2.200 . 2.805 2.284 2.038 2.338 . 0 0 "[ . 1]" 1
510 1 51 ILE HB 1 51 ILE MG 2.189 . 2.788 2.124 2.115 2.127 . 0 0 "[ . 1]" 1
511 1 51 ILE MG 1 62 LEU QB 2.377 . 3.083 2.467 2.072 2.807 . 0 0 "[ . 1]" 1
512 1 51 ILE MG 1 59 ALA HA 2.319 . 2.991 2.456 2.055 2.873 . 0 0 "[ . 1]" 1
513 1 51 ILE HA 1 51 ILE MG 2.307 . 2.972 2.373 2.272 2.614 . 0 0 "[ . 1]" 1
514 1 31 VAL H 1 32 ASP H 2.419 . 6.000 4.100 1.941 4.660 . 0 0 "[ . 1]" 1
515 1 30 SER HA 1 31 VAL H 1.824 . 6.000 3.144 2.083 3.589 . 0 0 "[ . 1]" 1
516 1 31 VAL H 1 31 VAL HA 2.328 . 3.005 2.796 2.220 2.928 . 0 0 "[ . 1]" 1
517 1 60 LEU HA 1 63 ALA MB 2.584 . 3.419 2.979 2.559 3.449 0.030 5 0 "[ . 1]" 1
518 1 63 ALA HA 1 63 ALA MB 2.109 . 2.665 2.126 2.123 2.129 . 0 0 "[ . 1]" 1
519 1 63 ALA MB 1 67 TYR QE 2.864 . 6.000 4.356 3.988 4.852 . 0 0 "[ . 1]" 1
520 1 63 ALA MB 1 67 TYR QD 2.598 . 6.000 4.059 3.653 4.693 . 0 0 "[ . 1]" 1
521 1 70 ALA MB 1 72 PHE QD 2.137 . 2.708 2.005 1.908 2.100 . 0 0 "[ . 1]" 1
522 1 67 TYR QD 1 70 ALA MB 2.563 . 6.000 4.081 3.349 4.914 . 0 0 "[ . 1]" 1
523 1 41 GLU HB2 1 42 SER H 2.958 . 6.000 4.358 4.166 4.449 . 0 0 "[ . 1]" 1
524 1 70 ALA HA 1 70 ALA MB 1.912 . 2.369 2.129 2.127 2.131 . 0 0 "[ . 1]" 1
525 1 40 VAL MG1 1 40 VAL MG2 1.948 . 2.422 2.074 2.045 2.091 . 0 0 "[ . 1]" 1
526 1 46 SER HA 1 47 PHE H 2.430 . 3.168 2.235 2.183 2.293 . 0 0 "[ . 1]" 1
527 1 40 VAL MG1 1 67 TYR QB 2.501 . 3.283 2.958 2.531 3.341 0.058 2 0 "[ . 1]" 1
528 1 40 VAL MG1 1 72 PHE QB 2.296 . 2.955 2.166 1.768 2.959 0.004 8 0 "[ . 1]" 1
529 1 40 VAL MG1 1 74 VAL HA 2.433 . 3.173 2.176 1.812 2.524 . 0 0 "[ . 1]" 1
530 1 40 VAL HA 1 40 VAL MG1 2.284 . 2.936 2.291 2.183 2.422 . 0 0 "[ . 1]" 1
531 1 36 PHE HA 1 80 CYS H 2.984 . 4.097 2.874 2.326 3.675 . 0 0 "[ . 1]" 1
532 1 80 CYS H 1 80 CYS HA 2.915 . 3.977 2.899 2.828 2.945 . 0 0 "[ . 1]" 1
533 1 40 VAL MG1 1 67 TYR QD 2.438 . 6.000 3.154 2.530 3.664 . 0 0 "[ . 1]" 1
534 1 40 VAL MG1 1 72 PHE QD 2.453 . 3.205 2.911 2.008 3.354 0.149 7 0 "[ . 1]" 1
535 1 39 THR MG 1 76 ARG QB 2.430 . 3.168 2.575 2.053 3.064 . 0 0 "[ . 1]" 1
536 1 36 PHE QD 1 80 CYS H 2.906 . 3.961 2.917 2.111 3.529 . 0 0 "[ . 1]" 1
537 1 79 PRO HA 1 80 CYS H 2.813 . 3.802 2.199 2.147 2.358 . 0 0 "[ . 1]" 1
538 1 36 PHE QB 1 80 CYS H 2.808 . 6.000 4.333 3.672 5.131 . 0 0 "[ . 1]" 1
539 1 39 THR HB 1 39 THR MG 2.135 . 2.705 2.129 2.124 2.135 . 0 0 "[ . 1]" 1
540 1 57 ASP QB 1 58 GLU H 2.917 . 3.980 2.694 2.206 3.471 . 0 0 "[ . 1]" 1
541 1 38 ALA HA 1 39 THR MG 2.503 . 6.000 4.455 3.631 5.455 . 0 0 "[ . 1]" 1
542 1 58 GLU H 1 58 GLU QB 2.609 . 3.460 2.218 2.181 2.258 . 0 0 "[ . 1]" 1
543 1 49 VAL HB 1 49 VAL QG 1.721 . 3.007 1.892 1.891 1.894 . 0 0 "[ . 1]" 1
544 1 65 TRP H 1 65 TRP QB 2.497 . 3.276 2.048 2.013 2.107 . 0 0 "[ . 1]" 1
545 1 68 VAL HA 1 68 VAL MG2 2.136 . 6.000 3.221 3.217 3.226 . 0 0 "[ . 1]" 1
546 1 68 VAL HB 1 68 VAL MG2 2.127 . 2.692 2.128 2.126 2.130 . 0 0 "[ . 1]" 1
547 1 68 VAL MG1 1 68 VAL MG2 1.828 . 2.245 2.084 2.075 2.089 . 0 0 "[ . 1]" 1
548 1 68 VAL MG2 1 69 PRO QD 2.657 . 3.539 1.813 1.768 1.881 0.007 4 0 "[ . 1]" 1
549 1 34 LYS HB3 1 35 LYS H 2.572 . 3.399 2.423 1.969 2.918 . 0 0 "[ . 1]" 1
550 1 38 ALA MB 1 67 TYR QE 2.819 . 3.812 3.886 3.765 3.947 0.135 6 0 "[ . 1]" 1
551 1 38 ALA HA 1 38 ALA MB 2.057 . 2.586 2.132 2.129 2.136 . 0 0 "[ . 1]" 1
552 1 38 ALA MB 1 77 VAL HA 2.437 . 6.000 3.776 3.576 4.037 . 0 0 "[ . 1]" 1
553 1 74 VAL HA 1 76 ARG H 2.949 . 6.000 4.328 4.104 4.543 . 0 0 "[ . 1]" 1
554 1 39 THR HB 1 76 ARG H 2.971 . 6.000 3.625 1.912 4.731 . 0 0 "[ . 1]" 1
555 1 38 ALA MB 1 63 ALA MB 2.131 . 6.000 2.445 2.002 2.884 . 0 0 "[ . 1]" 1
556 1 76 ARG H 1 76 ARG QG 2.944 . 4.027 3.559 3.131 4.213 0.186 1 0 "[ . 1]" 1
557 1 38 ALA MB 1 76 ARG H 2.859 . 6.000 4.979 4.741 5.324 . 0 0 "[ . 1]" 1
558 1 34 LYS HA 1 34 LYS QD 2.386 . 3.098 2.462 2.009 3.147 0.049 10 0 "[ . 1]" 1
559 1 34 LYS QD 1 36 PHE HZ 2.891 . 3.936 3.685 3.187 4.058 0.122 3 0 "[ . 1]" 1
560 1 76 ARG QG 2 64 TRP HZ3 2.767 . 3.724 3.180 2.688 3.867 0.143 1 0 "[ . 1]" 1
561 1 66 GLN HA 1 66 GLN QB 2.591 . 3.430 2.321 2.170 2.392 . 0 0 "[ . 1]" 1
562 1 47 PHE HB2 1 47 PHE QD 2.484 . 3.255 2.447 2.324 2.538 . 0 0 "[ . 1]" 1
563 1 47 PHE HA 1 47 PHE HB3 2.564 . 3.385 2.395 2.374 2.436 . 0 0 "[ . 1]" 1
564 1 47 PHE HA 1 47 PHE HB2 2.499 . 3.280 2.512 2.469 2.538 . 0 0 "[ . 1]" 1
565 1 31 VAL HA 1 33 ASN H 2.428 . 6.000 4.504 3.764 5.728 . 0 0 "[ . 1]" 1
566 1 62 LEU QB 1 66 GLN QB 2.183 . 2.779 2.599 2.490 2.826 0.047 3 0 "[ . 1]" 1
567 1 33 ASN H 1 33 ASN QD 2.721 . 3.565 2.382 1.714 3.282 0.081 5 0 "[ . 1]" 1
568 1 36 PHE HA 1 79 PRO HD3 2.050 . 6.000 5.580 5.199 5.845 . 0 0 "[ . 1]" 1
569 1 36 PHE HA 1 79 PRO HD2 2.113 . 6.000 5.933 5.761 6.044 0.044 2 0 "[ . 1]" 1
570 1 79 PRO HA 1 79 PRO HD3 2.365 . 6.000 3.908 3.754 3.991 . 0 0 "[ . 1]" 1
571 1 79 PRO HA 1 79 PRO HD2 2.781 . 6.000 3.899 3.888 3.915 . 0 0 "[ . 1]" 1
572 1 41 GLU H 1 73 GLU H 2.996 . 4.118 3.760 3.203 4.169 0.051 3 0 "[ . 1]" 1
573 1 79 PRO HD3 1 79 PRO QG 2.066 . 2.600 2.186 2.182 2.188 . 0 0 "[ . 1]" 1
574 1 79 PRO HD2 1 79 PRO QG 2.001 . 2.502 2.248 2.235 2.257 . 0 0 "[ . 1]" 1
575 1 72 PHE HA 1 73 GLU H 2.669 . 3.559 2.216 2.121 2.396 . 0 0 "[ . 1]" 1
576 1 74 VAL HA 1 75 THR H 2.983 . 4.095 2.276 2.153 2.498 . 0 0 "[ . 1]" 1
577 1 38 ALA MB 1 75 THR H 2.865 . 6.000 4.855 4.374 5.202 . 0 0 "[ . 1]" 1
578 1 74 VAL QG 1 75 THR H 2.884 . 3.924 3.330 2.995 3.500 . 0 0 "[ . 1]" 1
579 1 47 PHE HB2 1 48 GLU H 2.824 . 3.821 2.447 2.189 2.716 . 0 0 "[ . 1]" 1
580 1 48 GLU H 1 48 GLU HB3 2.738 . 3.675 3.357 2.775 3.784 0.109 1 0 "[ . 1]" 1
581 1 47 PHE QD 1 48 GLU H 2.815 . 3.805 3.521 3.203 3.823 0.018 3 0 "[ . 1]" 1
582 1 47 PHE HA 1 48 GLU H 2.549 . 3.361 2.387 2.288 2.495 . 0 0 "[ . 1]" 1
583 1 47 PHE HB3 1 48 GLU H 2.800 . 3.780 3.697 3.572 3.836 0.056 3 0 "[ . 1]" 1
584 1 47 PHE HB3 1 47 PHE QD 2.412 . 3.139 2.345 2.288 2.463 . 0 0 "[ . 1]" 1
585 1 71 GLY HA3 1 72 PHE H 2.973 . 4.078 3.415 3.268 3.526 . 0 0 "[ . 1]" 1
586 1 72 PHE H 1 72 PHE QB 2.977 . 4.085 2.452 2.345 2.552 . 0 0 "[ . 1]" 1
587 1 51 ILE HA 1 52 TYR QD 2.904 . 3.958 3.484 2.855 4.009 0.051 6 0 "[ . 1]" 1
588 1 71 GLY H 1 72 PHE H 2.705 . 3.620 2.300 2.127 2.444 . 0 0 "[ . 1]" 1
589 1 72 PHE H 1 72 PHE QD 2.730 . 3.662 2.708 2.036 3.018 . 0 0 "[ . 1]" 1
590 1 61 GLU H 1 62 LEU H 2.998 . 4.122 2.656 2.469 2.768 . 0 0 "[ . 1]" 1
591 1 61 GLU H 1 61 GLU HG3 2.711 . 3.630 2.804 2.171 3.661 0.031 9 0 "[ . 1]" 1
592 1 67 TYR HA 1 67 TYR QD 2.682 . 3.581 2.818 2.428 2.995 . 0 0 "[ . 1]" 1
593 1 63 ALA HA 1 67 TYR QD 2.627 . 3.489 2.722 2.143 3.538 0.049 8 0 "[ . 1]" 1
594 1 67 TYR QD 1 72 PHE QB 2.603 . 3.450 2.979 2.493 3.483 0.033 5 0 "[ . 1]" 1
595 1 67 TYR QB 1 67 TYR QD 2.618 . 3.475 2.142 2.134 2.173 . 0 0 "[ . 1]" 1
596 1 54 GLU H 1 54 GLU HG3 2.820 . 3.814 2.599 2.152 3.618 . 0 0 "[ . 1]" 1
597 1 54 GLU H 1 54 GLU QB 2.454 . 3.207 2.510 2.421 2.749 . 0 0 "[ . 1]" 1
598 1 53 ALA MB 1 54 GLU H 2.517 . 3.309 2.215 1.970 2.560 . 0 0 "[ . 1]" 1
599 1 40 VAL MG2 1 67 TYR QD 2.845 . 3.857 3.591 3.189 3.892 0.035 9 0 "[ . 1]" 1
600 1 72 PHE HA 1 72 PHE QD 2.610 . 3.461 2.968 2.831 3.194 . 0 0 "[ . 1]" 1
601 1 72 PHE QB 1 72 PHE QD 2.401 . 3.122 2.121 2.112 2.125 . 0 0 "[ . 1]" 1
602 1 44 GLU HG2 1 45 HIS H 2.911 . 6.000 4.272 3.262 5.178 . 0 0 "[ . 1]" 1
603 1 42 SER H 1 45 HIS H 2.793 . 6.000 3.670 3.126 4.158 . 0 0 "[ . 1]" 1
604 1 40 VAL HB 1 72 PHE QD 2.675 . 3.570 3.323 2.661 3.635 0.065 3 0 "[ . 1]" 1
605 1 45 HIS H 1 45 HIS HA 2.595 . 3.437 2.890 2.837 2.948 . 0 0 "[ . 1]" 1
606 1 40 VAL MG2 1 72 PHE QD 2.794 . 6.000 3.248 1.924 4.643 . 0 0 "[ . 1]" 1
607 1 44 GLU HB2 1 45 HIS H 2.777 . 3.741 3.089 2.245 3.820 0.079 6 0 "[ . 1]" 1
608 1 29 LEU HA 1 30 SER H 2.390 . 3.104 2.305 2.141 2.744 . 0 0 "[ . 1]" 1
609 1 65 TRP HA 1 65 TRP HD1 2.435 . 3.176 3.216 2.989 3.311 0.135 6 0 "[ . 1]" 1
610 1 65 TRP QB 1 65 TRP HD1 2.598 . 3.442 2.649 2.595 2.699 . 0 0 "[ . 1]" 1
611 1 60 LEU H 1 60 LEU HB2 2.703 . 3.617 2.586 2.512 2.661 . 0 0 "[ . 1]" 1
612 1 65 TRP HD1 2 38 LYS QG 2.941 . 4.022 3.730 3.305 4.008 . 0 0 "[ . 1]" 1
613 1 59 ALA MB 1 60 LEU H 2.784 . 3.753 2.496 2.329 2.577 . 0 0 "[ . 1]" 1
614 1 37 TRP QB 1 37 TRP HD1 2.983 . 4.095 2.577 2.463 2.674 . 0 0 "[ . 1]" 1
615 1 60 LEU H 1 60 LEU MD2 2.603 . 6.000 4.181 4.134 4.215 . 0 0 "[ . 1]" 1
616 1 70 ALA H 1 70 ALA HA 2.772 . 3.732 2.917 2.898 2.937 . 0 0 "[ . 1]" 1
617 1 70 ALA H 1 70 ALA MB 2.453 . 3.205 2.301 2.276 2.339 . 0 0 "[ . 1]" 1
618 1 45 HIS HA 1 46 SER H 2.426 . 3.162 2.289 2.177 2.509 . 0 0 "[ . 1]" 1
619 1 45 HIS HB2 1 46 SER H 2.762 . 6.000 3.672 2.236 4.246 . 0 0 "[ . 1]" 1
620 1 56 LEU H 1 57 ASP H 2.920 . 3.986 2.906 2.716 3.086 . 0 0 "[ . 1]" 1
621 1 37 TRP HE3 1 50 PRO QG 3.010 . 4.143 3.843 3.536 4.197 0.054 4 0 "[ . 1]" 1
622 1 37 TRP QB 1 37 TRP HE3 2.843 . 3.854 2.651 2.478 2.918 . 0 0 "[ . 1]" 1
623 1 37 TRP HE3 1 50 PRO HA 3.128 . 4.351 3.643 2.716 4.264 . 0 0 "[ . 1]" 1
624 1 57 ASP H 2 56 PRO HB2 2.928 . 6.000 5.074 4.363 6.026 0.026 2 0 "[ . 1]" 1
625 1 56 LEU QB 1 57 ASP H 2.863 . 3.887 2.424 2.238 2.577 . 0 0 "[ . 1]" 1
626 1 62 LEU MD2 1 65 TRP HE3 2.520 . 6.000 4.679 4.010 5.333 . 0 0 "[ . 1]" 1
627 1 55 THR HB 1 57 ASP H 2.946 . 4.031 3.454 2.731 4.063 0.032 4 0 "[ . 1]" 1
628 1 65 TRP QB 1 65 TRP HE3 2.575 . 3.404 2.499 2.450 2.569 . 0 0 "[ . 1]" 1
629 1 65 TRP HE3 1 66 GLN HA 3.001 . 4.127 4.010 3.618 4.231 0.104 10 0 "[ . 1]" 1
630 1 62 LEU HA 1 65 TRP HE3 3.077 . 6.000 5.320 4.610 5.817 . 0 0 "[ . 1]" 1
631 1 65 TRP HA 1 65 TRP HE3 2.795 . 6.000 4.037 3.846 4.393 . 0 0 "[ . 1]" 1
632 1 50 PRO HB2 1 52 TYR QE 2.364 . 3.062 2.873 2.337 3.115 0.053 7 0 "[ . 1]" 1
633 1 65 TRP QB 1 66 GLN H 2.850 . 3.865 2.970 2.841 3.085 . 0 0 "[ . 1]" 1
634 1 33 ASN HA 1 33 ASN QD 2.765 . 3.720 3.550 3.399 3.796 0.076 6 0 "[ . 1]" 1
635 1 33 ASN QB 1 33 ASN QD 2.250 . 2.883 2.604 2.191 2.741 . 0 0 "[ . 1]" 1
636 1 31 VAL QG 1 33 ASN QD 2.855 . 3.874 2.632 1.987 3.416 . 0 0 "[ . 1]" 1
637 1 38 ALA HA 1 77 VAL QG 2.377 . 3.083 2.042 1.835 2.214 . 0 0 "[ . 1]" 1
638 1 38 ALA HA 1 77 VAL HA 2.789 . 3.761 2.222 2.047 2.411 . 0 0 "[ . 1]" 1
639 1 71 GLY H 1 71 GLY HA3 2.639 . 3.509 2.918 2.880 2.945 . 0 0 "[ . 1]" 1
640 1 71 GLY H 1 71 GLY HA2 2.621 . 3.480 2.358 2.314 2.406 . 0 0 "[ . 1]" 1
641 1 70 ALA MB 1 71 GLY H 2.715 . 3.636 3.306 3.133 3.413 . 0 0 "[ . 1]" 1
642 1 54 GLU H 1 55 THR H 2.634 . 3.502 2.510 2.206 2.718 . 0 0 "[ . 1]" 1
643 1 40 VAL MG2 1 67 TYR QE 2.744 . 6.000 3.962 3.234 4.600 . 0 0 "[ . 1]" 1
644 1 54 GLU HG3 1 55 THR H 2.986 . 6.000 3.771 1.836 4.679 0.035 6 0 "[ . 1]" 1
645 1 55 THR H 1 58 GLU QB 2.618 . 3.475 2.388 1.965 3.058 . 0 0 "[ . 1]" 1
646 1 53 ALA MB 1 55 THR H 2.323 . 2.998 2.970 2.529 3.095 0.097 9 0 "[ . 1]" 1
647 1 55 THR H 1 55 THR HA 2.939 . 4.019 2.941 2.932 2.947 . 0 0 "[ . 1]" 1
648 1 54 GLU QB 1 55 THR H 2.478 . 3.246 2.575 2.187 3.212 . 0 0 "[ . 1]" 1
649 1 36 PHE HA 1 36 PHE QD 3.008 . 4.139 2.714 2.290 3.098 . 0 0 "[ . 1]" 1
650 1 36 PHE QD 1 79 PRO HB3 3.091 . 4.286 1.999 1.868 2.269 0.028 2 0 "[ . 1]" 1
651 1 65 TRP HE1 2 38 LYS QE 3.277 . 6.000 5.168 3.541 6.047 0.047 10 0 "[ . 1]" 1
652 1 39 THR MG 1 48 GLU HA 2.882 . 6.000 4.230 3.464 4.755 . 0 0 "[ . 1]" 1
653 1 48 GLU HA 1 48 GLU QG 2.679 . 3.576 2.820 2.310 3.513 . 0 0 "[ . 1]" 1
654 1 37 TRP HE3 1 38 ALA H 3.392 . 4.830 3.892 3.377 4.375 . 0 0 "[ . 1]" 1
655 1 37 TRP HA 1 37 TRP HE3 2.605 . 3.453 2.907 2.361 3.412 . 0 0 "[ . 1]" 1
656 1 41 GLU HA 1 41 GLU HB2 2.641 . 3.513 2.496 2.465 2.559 . 0 0 "[ . 1]" 1
657 1 52 TYR HA 1 52 TYR QD 2.673 . 3.566 2.842 2.475 3.193 . 0 0 "[ . 1]" 1
658 1 41 GLU QG 1 46 SER HA 2.619 . 3.477 3.382 2.728 3.573 0.096 4 0 "[ . 1]" 1
659 1 26 THR HB 1 26 THR MG 1.934 . 2.401 2.135 2.133 2.138 . 0 0 "[ . 1]" 1
660 1 80 CYS H 1 81 VAL H 3.153 . 4.395 4.048 3.781 4.252 . 0 0 "[ . 1]" 1
661 1 79 PRO HB2 1 81 VAL H 3.263 . 4.594 4.174 3.809 4.637 0.043 5 0 "[ . 1]" 1
662 1 26 THR HA 1 26 THR MG 1.963 . 2.445 2.303 2.247 2.364 . 0 0 "[ . 1]" 1
663 1 81 VAL HA 1 81 VAL MG2 2.017 . 2.526 2.402 2.333 2.463 . 0 0 "[ . 1]" 1
664 1 68 VAL MG1 1 74 VAL H 3.096 . 4.294 2.979 2.377 3.388 . 0 0 "[ . 1]" 1
665 1 65 TRP HA 1 65 TRP QB 1.994 . 6.000 2.517 2.486 2.530 . 0 0 "[ . 1]" 1
666 1 65 TRP HA 1 66 GLN HA 2.239 . 6.000 4.653 4.592 4.680 . 0 0 "[ . 1]" 1
667 1 39 THR H 1 40 VAL H 3.212 . 6.000 4.353 4.206 4.479 . 0 0 "[ . 1]" 1
668 1 31 VAL HA 1 31 VAL HB 2.070 . 2.605 2.438 2.356 2.493 . 0 0 "[ . 1]" 1
669 1 77 VAL H 2 60 MET HB3 3.193 . 4.468 4.064 2.550 4.485 0.017 6 0 "[ . 1]" 1
670 1 64 GLU HA 1 74 VAL QG 2.516 . 3.307 2.335 1.949 3.009 . 0 0 "[ . 1]" 1
671 1 64 GLU HA 1 67 TYR QB 2.600 . 3.445 3.450 3.195 3.556 0.111 9 0 "[ . 1]" 1
672 1 44 GLU HA 1 44 GLU HB3 2.038 . 2.557 2.751 2.463 3.024 0.467 1 0 "[ . 1]" 1
673 1 35 LYS QG 1 36 PHE H 3.184 . 6.000 4.193 3.830 4.444 . 0 0 "[ . 1]" 1
674 1 29 LEU HA 1 29 LEU QB 1.898 . 2.348 2.353 2.310 2.447 0.099 9 0 "[ . 1]" 1
675 1 35 LYS HA 1 36 PHE H 3.165 . 4.417 2.150 2.093 2.265 . 0 0 "[ . 1]" 1
676 1 36 PHE H 1 36 PHE QD 3.386 . 4.819 3.072 2.721 3.511 . 0 0 "[ . 1]" 1
677 1 60 LEU HA 1 60 LEU MD1 2.170 . 2.759 2.195 2.093 2.295 . 0 0 "[ . 1]" 1
678 1 36 PHE H 1 53 ALA H 3.270 . 6.000 5.781 5.086 6.059 0.059 4 0 "[ . 1]" 1
679 1 58 GLU HA 1 58 GLU QG 2.188 . 6.000 2.731 2.454 2.904 . 0 0 "[ . 1]" 1
680 1 37 TRP QB 1 78 ARG H 3.295 . 4.652 2.982 2.735 3.278 . 0 0 "[ . 1]" 1
681 1 78 ARG H 1 79 PRO QG 3.317 . 4.692 4.566 4.161 4.784 0.092 2 0 "[ . 1]" 1
682 1 77 VAL HA 1 78 ARG H 3.364 . 4.779 2.266 2.205 2.304 . 0 0 "[ . 1]" 1
683 1 62 LEU HA 1 66 GLN QB 2.356 . 3.050 2.715 2.393 2.958 . 0 0 "[ . 1]" 1
684 1 68 VAL H 1 68 VAL MG2 3.156 . 4.401 2.102 2.082 2.130 . 0 0 "[ . 1]" 1
685 1 62 LEU HA 1 65 TRP QB 2.417 . 3.147 3.075 2.678 3.258 0.111 9 0 "[ . 1]" 1
686 1 68 VAL H 1 68 VAL HB 3.248 . 4.566 3.665 3.657 3.679 . 0 0 "[ . 1]" 1
687 1 56 LEU HA 1 56 LEU QB 2.478 . 3.246 2.475 2.322 2.519 . 0 0 "[ . 1]" 1
688 1 49 VAL HA 1 50 PRO QD 2.554 . 3.369 1.875 1.807 1.976 . 0 0 "[ . 1]" 1
689 1 49 VAL HA 1 49 VAL HB 2.563 . 3.384 2.437 2.391 2.484 . 0 0 "[ . 1]" 1
690 1 38 ALA MB 1 39 THR H 3.093 . 4.289 3.283 3.148 3.515 . 0 0 "[ . 1]" 1
691 1 33 ASN QB 1 34 LYS H 2.469 . 3.231 3.387 3.135 3.506 0.275 3 0 "[ . 1]" 1
692 1 34 LYS H 1 34 LYS QE 3.128 . 4.351 4.348 3.867 4.494 0.143 9 0 "[ . 1]" 1
693 1 34 LYS QE 1 34 LYS QG 2.112 . 2.670 2.233 2.109 2.336 . 0 0 "[ . 1]" 1
694 1 45 HIS HA 1 45 HIS HB3 2.585 . 3.420 2.708 2.447 3.030 . 0 0 "[ . 1]" 1
695 1 45 HIS HA 1 45 HIS HB2 2.604 . 3.452 2.689 2.419 3.024 . 0 0 "[ . 1]" 1
696 1 34 LYS H 1 36 PHE QE 3.171 . 4.428 4.114 3.448 4.493 0.065 5 0 "[ . 1]" 1
697 1 62 LEU HA 1 63 ALA MB 2.233 . 6.000 5.015 5.001 5.042 . 0 0 "[ . 1]" 1
698 1 40 VAL MG2 1 47 PHE H 3.079 . 4.264 3.589 2.745 4.313 0.049 5 0 "[ . 1]" 1
699 1 62 LEU HA 1 62 LEU QB 2.221 . 2.837 2.362 2.330 2.412 . 0 0 "[ . 1]" 1
700 1 57 ASP HA 1 57 ASP QB 2.232 . 2.855 2.342 2.181 2.467 . 0 0 "[ . 1]" 1
701 1 36 PHE HZ 1 56 LEU HA 2.560 . 3.379 3.136 2.406 3.445 0.066 3 0 "[ . 1]" 1
702 1 36 PHE QE 1 56 LEU HA 2.588 . 3.425 2.984 2.299 3.476 0.051 10 0 "[ . 1]" 1
703 1 41 GLU H 1 72 PHE QD 3.286 . 6.000 5.006 4.652 5.810 . 0 0 "[ . 1]" 1
704 1 36 PHE QE 1 56 LEU QD 2.333 . 3.013 2.009 1.760 2.368 . 0 0 "[ . 1]" 1
705 1 36 PHE HZ 1 56 LEU QD 2.276 . 2.923 2.651 2.323 3.014 0.091 6 0 "[ . 1]" 1
706 1 29 LEU HA 1 29 LEU QD 1.978 . 2.467 2.136 1.987 2.503 0.036 9 0 "[ . 1]" 1
707 1 56 LEU HA 1 56 LEU QD 2.055 . 2.583 2.118 1.856 2.662 0.079 5 0 "[ . 1]" 1
708 1 58 GLU H 1 59 ALA H 2.803 . 3.785 2.665 2.533 2.797 . 0 0 "[ . 1]" 1
709 1 77 VAL HA 1 77 VAL QG 2.244 . 2.874 2.315 2.256 2.402 . 0 0 "[ . 1]" 1
710 1 58 GLU H 1 59 ALA MB 3.202 . 4.483 4.327 4.202 4.460 . 0 0 "[ . 1]" 1
711 1 35 LYS H 1 35 LYS QG 3.168 . 4.422 2.641 2.044 3.629 . 0 0 "[ . 1]" 1
712 1 76 ARG H 2 43 LYS HE3 3.271 . 6.000 4.704 4.242 5.974 . 0 0 "[ . 1]" 1
713 1 75 THR HA 1 76 ARG H 3.057 . 4.225 3.554 3.512 3.577 . 0 0 "[ . 1]" 1
714 1 38 ALA HA 1 76 ARG H 3.225 . 6.000 4.924 4.614 5.374 . 0 0 "[ . 1]" 1
715 1 76 ARG H 1 77 VAL H 3.249 . 4.569 4.360 4.298 4.432 . 0 0 "[ . 1]" 1
716 1 56 LEU QD 1 56 LEU HG 2.140 . 2.712 1.891 1.889 1.895 . 0 0 "[ . 1]" 1
717 1 64 GLU H 1 65 TRP H 2.984 . 4.097 2.589 2.490 2.662 . 0 0 "[ . 1]" 1
718 1 60 LEU MD2 1 60 LEU HG 1.939 . 2.409 2.124 2.117 2.129 . 0 0 "[ . 1]" 1
719 1 60 LEU HB3 1 60 LEU MD2 2.287 . 2.941 2.340 2.253 2.420 . 0 0 "[ . 1]" 1
720 1 62 LEU HA 1 62 LEU MD2 1.993 . 2.490 2.024 1.945 2.078 . 0 0 "[ . 1]" 1
721 1 58 GLU QG 1 62 LEU MD2 2.348 . 6.000 3.551 3.041 4.478 . 0 0 "[ . 1]" 1
722 1 48 GLU QG 1 49 VAL H 3.184 . 4.451 4.097 3.073 4.335 . 0 0 "[ . 1]" 1
723 1 62 LEU MD2 1 66 GLN QB 2.218 . 2.833 2.585 2.188 2.818 . 0 0 "[ . 1]" 1
724 1 62 LEU MD2 1 65 TRP QB 2.510 . 6.000 3.471 3.028 3.716 . 0 0 "[ . 1]" 1
725 1 77 VAL HB 1 77 VAL QG 2.113 . 2.671 1.893 1.891 1.895 . 0 0 "[ . 1]" 1
726 1 36 PHE HA 1 37 TRP H 3.597 . 5.214 2.201 2.160 2.265 . 0 0 "[ . 1]" 1
727 1 37 TRP H 1 37 TRP QB 3.401 . 4.847 2.459 2.366 2.632 . 0 0 "[ . 1]" 1
728 1 37 TRP H 1 77 VAL QG 3.334 . 6.000 4.184 3.102 4.954 . 0 0 "[ . 1]" 1
729 1 72 PHE H 1 73 GLU H 3.143 . 6.000 4.347 4.011 4.554 . 0 0 "[ . 1]" 1
730 1 40 VAL MG2 1 74 VAL QG 2.347 . 6.000 3.473 2.570 4.304 . 0 0 "[ . 1]" 1
731 1 40 VAL MG1 1 74 VAL QG 2.418 . 3.149 2.207 1.873 2.698 . 0 0 "[ . 1]" 1
732 1 63 ALA MB 1 74 VAL QG 2.267 . 6.000 3.138 2.794 3.553 . 0 0 "[ . 1]" 1
733 1 67 TYR QB 1 74 VAL QG 2.320 . 2.993 2.736 2.499 3.029 0.036 3 0 "[ . 1]" 1
734 1 74 VAL HA 1 74 VAL QG 2.375 . 3.080 2.284 2.234 2.328 . 0 0 "[ . 1]" 1
735 1 59 ALA MB 1 77 VAL QG 2.197 . 6.000 4.635 3.952 5.011 . 0 0 "[ . 1]" 1
736 1 40 VAL MG1 1 49 VAL QG 2.596 . 6.000 3.218 2.163 4.185 . 0 0 "[ . 1]" 1
737 1 49 VAL MG1 1 49 VAL MG2 2.223 . 2.841 2.090 2.086 2.093 . 0 0 "[ . 1]" 1
738 1 38 ALA MB 1 49 VAL QG 2.114 . 6.000 2.421 2.065 2.820 . 0 0 "[ . 1]" 1
739 1 49 VAL QG 1 67 TYR QE 2.298 . 2.958 2.281 1.764 2.808 . 0 0 "[ . 1]" 1
740 1 47 PHE QD 1 49 VAL QG 2.608 . 5.000 3.186 2.856 3.656 . 0 0 "[ . 1]" 1
741 1 56 LEU QD 1 57 ASP H 3.192 . 4.466 3.792 3.521 3.924 . 0 0 "[ . 1]" 1
742 1 56 LEU HA 1 57 ASP H 3.213 . 4.504 3.557 3.533 3.578 . 0 0 "[ . 1]" 1
743 1 49 VAL HA 1 49 VAL QG 2.324 . 2.999 2.332 2.288 2.385 . 0 0 "[ . 1]" 1
744 1 55 THR H 1 58 GLU HA 3.060 . 6.000 5.272 4.882 5.913 . 0 0 "[ . 1]" 1
745 1 55 THR H 1 59 ALA H 3.086 . 4.276 3.990 3.640 4.293 0.017 10 0 "[ . 1]" 1
746 1 55 THR H 1 58 GLU H 3.055 . 4.222 3.812 3.448 4.244 0.022 4 0 "[ . 1]" 1
747 1 68 VAL HA 1 71 GLY H 3.274 . 4.614 3.708 3.443 4.004 . 0 0 "[ . 1]" 1
748 1 71 GLY H 1 72 PHE QD 3.168 . 4.422 3.863 3.512 4.252 . 0 0 "[ . 1]" 1
749 1 35 LYS QD 1 35 LYS HE3 2.583 . 3.417 2.275 2.168 2.366 . 0 0 "[ . 1]" 1
750 1 33 ASN QD 1 34 LYS HA 3.220 . 4.516 3.734 3.416 4.326 . 0 0 "[ . 1]" 1
751 1 40 VAL MG1 1 47 PHE QE 3.096 . 4.294 3.980 3.389 4.364 0.070 9 0 "[ . 1]" 1
752 1 58 GLU QB 1 58 GLU QG 2.151 . 2.729 2.027 1.997 2.085 . 0 0 "[ . 1]" 1
753 1 58 GLU HA 1 58 GLU QB 2.344 . 3.031 2.383 2.345 2.438 . 0 0 "[ . 1]" 1
754 1 60 LEU HB3 1 60 LEU MD1 2.185 . 6.000 3.196 3.181 3.207 . 0 0 "[ . 1]" 1
755 1 60 LEU MD1 1 60 LEU HG 1.898 . 2.348 2.126 2.121 2.128 . 0 0 "[ . 1]" 1
756 1 60 LEU MD1 2 60 MET HB2 2.184 . 2.780 2.246 2.035 2.711 . 0 0 "[ . 1]" 1
757 1 60 LEU HB2 1 60 LEU MD1 2.084 . 2.627 2.417 2.274 2.481 . 0 0 "[ . 1]" 1
758 1 60 LEU HB3 1 61 GLU H 3.377 . 4.803 2.597 2.455 2.736 . 0 0 "[ . 1]" 1
759 1 51 ILE MD 1 51 ILE MG 2.184 . 2.780 2.034 1.860 3.047 0.267 9 0 "[ . 1]" 1
760 1 64 GLU QB 1 65 TRP H 3.086 . 4.277 2.241 2.176 2.357 . 0 0 "[ . 1]" 1
761 1 51 ILE MD 1 63 ALA MB 2.026 . 2.539 2.540 2.346 2.640 0.101 3 0 "[ . 1]" 1
762 1 51 ILE MD 1 63 ALA HA 2.223 . 2.841 2.069 1.886 2.461 . 0 0 "[ . 1]" 1
763 1 51 ILE HA 1 51 ILE MD 2.378 . 3.085 2.286 2.087 3.130 0.045 9 0 "[ . 1]" 1
764 1 51 ILE MD 1 67 TYR QE 2.280 . 2.930 2.124 1.845 2.708 . 0 0 "[ . 1]" 1
765 1 51 ILE MD 1 67 TYR QD 2.606 . 3.455 3.223 2.882 3.533 0.078 9 0 "[ . 1]" 1
766 1 32 ASP HB3 1 33 ASN HA 2.476 . 6.000 5.730 4.887 5.985 . 0 0 "[ . 1]" 1
767 1 32 ASP HB3 1 52 TYR QD 2.626 . 3.488 2.664 1.845 4.351 0.863 3 1 "[ + . 1]" 1
768 1 36 PHE HA 1 36 PHE QB 2.354 . 3.047 2.317 2.286 2.363 . 0 0 "[ . 1]" 1
769 1 77 VAL QG 2 58 GLU QB 3.254 . 6.000 5.613 5.221 5.794 . 0 0 "[ . 1]" 1
770 1 74 VAL QG 2 40 THR MG 2.464 . 6.000 2.738 2.085 3.614 . 0 0 "[ . 1]" 1
771 1 81 VAL MG2 2 30 ILE MG 2.950 . 6.000 5.293 3.014 6.039 0.039 4 0 "[ . 1]" 1
772 1 63 ALA MB 2 60 MET ME 2.982 . 4.094 2.208 1.985 2.418 . 0 0 "[ . 1]" 1
773 1 68 VAL MG1 2 60 MET ME 2.840 . 6.000 4.776 4.056 5.553 . 0 0 "[ . 1]" 1
774 1 74 VAL QG 2 43 LYS HE2 2.859 . 3.074 2.124 1.841 3.120 0.046 10 0 "[ . 1]" 1
775 1 61 GLU HA 2 38 LYS QE 3.360 . 4.771 3.132 2.580 4.073 . 0 0 "[ . 1]" 1
776 2 68 ASN HA 2 68 ASN QB 2.424 . 3.158 2.194 2.167 2.350 . 0 0 "[ . 1]" 1
777 2 33 ILE HB 2 33 ILE MG 2.012 . 2.518 2.123 2.122 2.125 . 0 0 "[ . 1]" 1
778 2 33 ILE HB 2 33 ILE HG13 2.325 . 3.001 2.427 2.404 2.461 . 0 0 "[ . 1]" 1
779 2 33 ILE HB 2 33 ILE HG12 2.362 . 3.059 2.478 2.445 2.502 . 0 0 "[ . 1]" 1
780 2 33 ILE HA 2 33 ILE HB 2.739 . 3.677 3.024 3.021 3.026 . 0 0 "[ . 1]" 1
781 2 26 ILE HB 2 82 SER HB2 2.801 . 6.000 3.657 3.016 4.448 . 0 0 "[ . 1]" 1
782 2 48 ILE HB 2 57 TYR HB3 2.959 . 4.054 3.061 2.676 3.453 . 0 0 "[ . 1]" 1
783 2 31 SER QB 2 76 GLU HG3 2.450 . 3.200 2.399 2.078 2.724 . 0 0 "[ . 1]" 1
784 2 47 VAL QG 2 58 GLU QG 2.156 . 2.737 1.893 1.845 1.979 . 0 0 "[ . 1]" 1
785 2 58 GLU QB 2 58 GLU QG 2.294 . 2.952 2.016 2.005 2.080 . 0 0 "[ . 1]" 1
786 2 47 VAL HA 2 58 GLU QG 2.855 . 3.874 2.154 1.941 2.340 . 0 0 "[ . 1]" 1
787 2 58 GLU HA 2 58 GLU QG 2.848 . 3.251 2.427 2.381 2.477 . 0 0 "[ . 1]" 1
788 2 57 TYR QD 2 58 GLU QG 2.754 . 6.000 5.421 4.933 5.704 . 0 0 "[ . 1]" 1
789 2 31 SER QB 2 76 GLU HG2 2.194 . 2.796 2.955 2.764 3.172 0.376 9 0 "[ . 1]" 1
790 2 81 ILE HB 2 81 ILE MG 1.981 . 2.472 2.126 2.125 2.128 . 0 0 "[ . 1]" 1
791 2 81 ILE HB 2 81 ILE HG12 2.654 . 3.535 2.436 2.419 2.452 . 0 0 "[ . 1]" 1
792 2 81 ILE HB 2 81 ILE HG13 2.480 . 3.249 2.464 2.450 2.481 . 0 0 "[ . 1]" 1
793 2 26 ILE HA 2 81 ILE HB 2.658 . 6.000 4.494 4.315 4.680 . 0 0 "[ . 1]" 1
794 2 81 ILE HB 2 82 SER HB3 3.164 . 4.415 4.013 3.927 4.180 . 0 0 "[ . 1]" 1
795 2 27 LEU HA 2 81 ILE HB 3.229 . 4.532 4.173 3.952 4.568 0.036 1 0 "[ . 1]" 1
796 2 73 GLU HA 2 73 GLU HG2 2.307 . 6.000 2.905 2.837 2.996 . 0 0 "[ . 1]" 1
797 2 50 PRO HD3 2 58 GLU QG 2.197 . 6.000 5.732 5.284 5.841 . 0 0 "[ . 1]" 1
798 2 70 PHE HB2 2 73 GLU HG2 2.794 . 3.770 2.947 2.571 3.255 . 0 0 "[ . 1]" 1
799 2 57 TYR QB 2 58 GLU QG 3.160 . 6.000 5.067 4.618 5.257 . 0 0 "[ . 1]" 1
800 2 70 PHE QD 2 73 GLU HG2 2.984 . 6.000 4.613 4.187 5.107 . 0 0 "[ . 1]" 1
801 2 76 GLU HA 2 76 GLU HG2 2.520 . 3.314 2.990 2.810 3.116 . 0 0 "[ . 1]" 1
802 2 64 TRP HA 2 64 TRP HB3 2.573 . 3.400 2.261 2.233 2.298 . 0 0 "[ . 1]" 1
803 2 64 TRP HA 2 64 TRP HB2 2.609 . 3.460 2.781 2.623 2.928 . 0 0 "[ . 1]" 1
804 2 67 LEU MD1 2 67 LEU HG 1.967 . 2.451 2.130 2.123 2.142 . 0 0 "[ . 1]" 1
805 2 67 LEU HB2 2 67 LEU MD1 2.123 . 2.687 2.234 2.165 2.335 . 0 0 "[ . 1]" 1
806 2 67 LEU HA 2 67 LEU MD1 2.513 . 6.000 3.873 3.844 3.901 . 0 0 "[ . 1]" 1
807 2 36 PHE QE 2 67 LEU MD1 2.139 . 6.000 3.161 2.679 4.150 . 0 0 "[ . 1]" 1
808 2 27 LEU HB3 2 27 LEU QD 2.152 . 2.731 2.151 2.101 2.184 . 0 0 "[ . 1]" 1
809 2 27 LEU QD 2 78 GLY HA3 2.448 . 3.197 2.902 2.595 3.053 . 0 0 "[ . 1]" 1
810 2 27 LEU QD 2 78 GLY HA2 2.013 . 2.520 1.819 1.677 1.967 . 0 0 "[ . 1]" 1
811 2 27 LEU HA 2 27 LEU QD 2.349 . 6.000 3.412 3.342 3.434 . 0 0 "[ . 1]" 1
812 2 34 VAL QG 2 36 PHE QD 2.758 . 3.709 3.704 3.658 3.794 0.085 7 0 "[ . 1]" 1
813 2 34 VAL QG 2 36 PHE QE 2.247 . 6.000 2.959 2.795 3.114 . 0 0 "[ . 1]" 1
814 2 34 VAL HA 2 34 VAL QG 2.230 . 2.852 2.332 2.132 2.383 . 0 0 "[ . 1]" 1
815 2 34 VAL QG 2 35 SER HA 2.556 . 6.000 3.286 3.238 3.404 . 0 0 "[ . 1]" 1
816 2 34 VAL QG 2 71 GLU HA 2.237 . 6.000 2.936 2.734 3.051 . 0 0 "[ . 1]" 1
817 2 34 VAL HB 2 34 VAL QG 1.876 . 2.224 1.895 1.891 1.897 . 0 0 "[ . 1]" 1
818 2 36 PHE QE 2 67 LEU MD2 2.415 . 3.144 2.693 2.251 3.200 0.056 9 0 "[ . 1]" 1
819 2 67 LEU HA 2 67 LEU MD2 1.993 . 2.489 2.198 2.050 2.495 0.006 2 0 "[ . 1]" 1
820 2 44 ARG QD 2 67 LEU MD2 2.914 . 3.975 2.973 2.138 3.810 . 0 0 "[ . 1]" 1
821 2 67 LEU HB3 2 67 LEU MD2 2.160 . 2.743 2.246 2.164 2.368 . 0 0 "[ . 1]" 1
822 2 80 VAL MG1 2 80 VAL MG2 1.829 . 2.247 2.090 2.081 2.096 . 0 0 "[ . 1]" 1
823 2 80 VAL HB 2 80 VAL QG 1.814 . 2.108 1.889 1.886 1.893 . 0 0 "[ . 1]" 1
824 2 79 ASP QB 2 80 VAL QG 2.216 . 6.000 4.310 3.988 4.510 . 0 0 "[ . 1]" 1
825 2 80 VAL HA 2 80 VAL QG 2.120 . 2.682 2.331 2.142 2.369 . 0 0 "[ . 1]" 1
826 2 80 VAL QG 2 81 ILE HA 2.722 . 3.648 3.409 3.351 3.669 0.021 1 0 "[ . 1]" 1
827 2 68 ASN HA 2 80 VAL QG 2.892 . 3.937 2.824 2.719 3.039 . 0 0 "[ . 1]" 1
828 2 27 LEU HA 2 80 VAL QG 2.593 . 3.255 1.897 1.766 2.173 . 0 0 "[ . 1]" 1
829 2 47 VAL HA 2 47 VAL QG 1.919 . 2.380 2.218 2.137 2.255 . 0 0 "[ . 1]" 1
830 2 37 GLY HA3 2 47 VAL QG 2.669 . 3.559 3.405 3.174 3.591 0.032 4 0 "[ . 1]" 1
831 2 45 ARG QD 2 47 VAL QG 2.734 . 3.669 2.861 2.489 3.186 . 0 0 "[ . 1]" 1
832 2 68 ASN QB 2 80 VAL QG 2.566 . 3.389 1.805 1.684 1.920 0.114 10 0 "[ . 1]" 1
833 2 47 VAL QG 2 58 GLU QB 2.095 . 2.644 2.446 2.272 2.701 0.057 2 0 "[ . 1]" 1
834 2 45 ARG HG3 2 47 VAL QG 2.412 . 3.139 3.243 2.832 3.675 0.536 6 2 "[ -+ 1]" 1
835 2 75 VAL HA 2 75 VAL MG1 1.966 . 2.449 2.329 2.302 2.340 . 0 0 "[ . 1]" 1
836 2 75 VAL MG1 2 79 ASP QB 2.520 . 6.000 5.675 5.238 5.991 . 0 0 "[ . 1]" 1
837 2 32 GLY HA2 2 51 VAL MG1 2.651 . 3.530 2.347 2.004 3.265 . 0 0 "[ . 1]" 1
838 2 51 VAL HB 2 51 VAL MG1 1.797 . 2.201 2.125 2.123 2.128 . 0 0 "[ . 1]" 1
839 2 33 ILE HG12 2 51 VAL MG1 2.336 . 3.018 2.548 2.137 3.035 0.017 1 0 "[ . 1]" 1
840 2 79 ASP HA 2 80 VAL QG 2.395 . 6.000 3.790 3.681 3.857 . 0 0 "[ . 1]" 1
841 2 48 ILE HA 2 48 ILE MG 2.301 . 2.963 2.313 2.263 2.334 . 0 0 "[ . 1]" 1
842 2 48 ILE HB 2 48 ILE MG 2.231 . 2.853 2.137 2.135 2.139 . 0 0 "[ . 1]" 1
843 2 30 ILE MG 2 48 ILE MG 2.300 . 6.000 4.347 4.231 4.416 . 0 0 "[ . 1]" 1
844 2 30 ILE HB 2 30 ILE MG 2.090 . 2.636 2.127 2.124 2.130 . 0 0 "[ . 1]" 1
845 2 29 GLU QG 2 30 ILE MG 2.723 . 3.650 2.846 2.536 3.353 . 0 0 "[ . 1]" 1
846 2 30 ILE MG 2 57 TYR QB 2.714 . 3.635 2.801 2.508 3.019 . 0 0 "[ . 1]" 1
847 2 33 ILE HA 2 33 ILE MG 2.292 . 2.949 2.382 2.341 2.435 . 0 0 "[ . 1]" 1
848 2 33 ILE MG 2 72 GLY HA2 2.344 . 3.031 2.080 1.969 2.166 . 0 0 "[ . 1]" 1
849 2 33 ILE MG 2 72 GLY HA3 2.258 . 6.000 3.396 3.283 3.487 . 0 0 "[ . 1]" 1
850 2 33 ILE HG13 2 33 ILE MG 2.108 . 2.664 2.395 2.346 2.426 . 0 0 "[ . 1]" 1
851 2 51 VAL HA 2 51 VAL MG2 2.167 . 6.000 3.206 3.201 3.213 . 0 0 "[ . 1]" 1
852 2 51 VAL HB 2 51 VAL MG2 1.806 . 2.214 2.126 2.119 2.130 . 0 0 "[ . 1]" 1
853 1 38 ALA HA 2 60 MET ME 2.805 . 6.000 4.368 3.187 6.028 0.028 10 0 "[ . 1]" 1
854 1 63 ALA HA 2 60 MET ME 2.917 . 6.000 4.257 4.013 4.489 . 0 0 "[ . 1]" 1
855 2 60 MET HB3 2 60 MET ME 2.194 . 2.796 2.402 2.098 3.009 0.213 8 0 "[ . 1]" 1
856 1 38 ALA MB 2 60 MET ME 2.032 . 6.000 3.298 2.415 4.330 . 0 0 "[ . 1]" 1
857 1 74 VAL QG 2 60 MET ME 1.988 . 2.482 2.115 1.887 2.353 . 0 0 "[ . 1]" 1
858 1 77 VAL QG 2 60 MET ME 2.263 . 6.000 2.241 1.956 2.844 . 0 0 "[ . 1]" 1
859 2 25 ALA HA 2 25 ALA MB 1.889 . 2.335 2.130 2.125 2.133 . 0 0 "[ . 1]" 1
860 2 25 ALA MB 2 82 SER HB3 2.497 . 3.276 2.805 2.346 3.241 . 0 0 "[ . 1]" 1
861 2 25 ALA MB 2 27 LEU HA 2.946 . 6.000 5.572 5.229 6.011 0.011 9 0 "[ . 1]" 1
862 2 28 ALA HA 2 28 ALA MB 1.990 . 2.485 2.136 2.132 2.142 . 0 0 "[ . 1]" 1
863 2 28 ALA MB 2 77 ARG HA 2.456 . 3.210 3.152 2.858 3.275 0.065 1 0 "[ . 1]" 1
864 2 28 ALA MB 2 68 ASN QB 2.727 . 3.656 3.320 3.076 3.471 . 0 0 "[ . 1]" 1
865 2 26 ILE HA 2 26 ILE MG 2.068 . 2.603 2.291 2.158 2.319 . 0 0 "[ . 1]" 1
866 2 81 ILE MG 2 82 SER HB3 2.704 . 3.618 3.228 2.878 3.398 . 0 0 "[ . 1]" 1
867 2 34 VAL MG1 2 34 VAL MG2 1.800 . 2.205 2.087 2.083 2.092 . 0 0 "[ . 1]" 1
868 2 28 ALA MB 2 34 VAL QG 2.594 . 6.000 3.305 2.463 3.589 . 0 0 "[ . 1]" 1
869 2 34 VAL QG 2 73 GLU HB2 2.517 . 3.309 2.568 2.158 3.263 . 0 0 "[ . 1]" 1
870 1 61 GLU HA 2 38 LYS QG 2.427 . 6.000 5.107 4.847 5.617 . 0 0 "[ . 1]" 1
871 2 38 LYS QE 2 38 LYS QG 2.441 . 3.186 2.326 2.122 2.437 . 0 0 "[ . 1]" 1
872 2 43 LYS HA 2 43 LYS QG 2.516 . 3.307 2.514 2.376 2.640 . 0 0 "[ . 1]" 1
873 2 30 ILE HA 2 77 ARG HG3 2.578 . 3.409 3.055 2.737 3.428 0.019 2 0 "[ . 1]" 1
874 2 43 LYS HE2 2 43 LYS QG 2.681 . 3.579 2.460 2.145 3.291 . 0 0 "[ . 1]" 1
875 2 43 LYS HB3 2 43 LYS QG 2.361 . 3.058 2.160 2.157 2.165 . 0 0 "[ . 1]" 1
876 1 74 VAL QG 2 43 LYS QG 2.302 . 2.964 2.680 2.275 3.048 0.084 7 0 "[ . 1]" 1
877 2 36 PHE HA 2 47 VAL QG 2.517 . 3.309 2.848 2.543 3.280 . 0 0 "[ . 1]" 1
878 2 36 PHE HA 2 36 PHE HB2 2.491 . 3.266 3.023 3.018 3.028 . 0 0 "[ . 1]" 1
879 2 36 PHE HA 2 36 PHE HB3 2.426 . 3.162 2.468 2.440 2.510 . 0 0 "[ . 1]" 1
880 2 36 PHE HA 2 36 PHE QE 2.993 . 6.000 4.432 4.372 4.523 . 0 0 "[ . 1]" 1
881 2 36 PHE HA 2 36 PHE QD 2.348 . 3.037 2.230 2.033 2.629 . 0 0 "[ . 1]" 1
882 2 63 LYS QE 2 64 TRP HD1 3.141 . 4.374 4.228 3.376 4.448 0.074 7 0 "[ . 1]" 1
883 2 64 TRP HB3 2 64 TRP HD1 2.653 . 3.533 2.761 2.606 2.959 . 0 0 "[ . 1]" 1
884 2 64 TRP HB2 2 64 TRP HD1 2.795 . 6.000 3.847 3.764 3.899 . 0 0 "[ . 1]" 1
885 2 42 GLY HA3 2 64 TRP HD1 3.234 . 4.542 3.820 2.983 4.383 . 0 0 "[ . 1]" 1
886 2 64 TRP HA 2 64 TRP HD1 3.276 . 4.617 3.731 3.169 4.233 . 0 0 "[ . 1]" 1
887 2 35 SER HA 2 71 GLU HB2 2.184 . 2.780 2.092 1.909 2.284 . 0 0 "[ . 1]" 1
888 2 29 GLU HA 2 57 TYR QB 2.914 . 6.000 5.611 5.408 5.864 . 0 0 "[ . 1]" 1
889 2 29 GLU HA 2 29 GLU QG 2.584 . 3.418 2.809 2.307 3.029 . 0 0 "[ . 1]" 1
890 1 76 ARG QD 2 65 ARG HA 2.471 . 6.000 5.896 5.386 6.051 0.051 9 0 "[ . 1]" 1
891 2 25 ALA MB 2 83 ASP HA 2.095 . 6.000 3.309 3.164 3.601 . 0 0 "[ . 1]" 1
892 2 46 LEU HA 2 46 LEU QD 2.074 . 2.612 2.204 1.929 2.406 . 0 0 "[ . 1]" 1
893 2 46 LEU HA 2 46 LEU HB2 2.460 . 3.217 2.526 2.441 2.971 . 0 0 "[ . 1]" 1
894 2 69 VAL HA 2 69 VAL MG2 2.370 . 3.072 2.365 2.249 3.197 0.125 2 0 "[ . 1]" 1
895 2 69 VAL HA 2 69 VAL MG1 1.875 . 6.000 3.113 2.303 3.207 . 0 0 "[ . 1]" 1
896 2 69 VAL HA 2 69 VAL HB 2.046 . 2.569 2.533 2.512 2.544 . 0 0 "[ . 1]" 1
897 2 51 VAL HA 2 51 VAL MG1 1.887 . 2.332 2.373 2.334 2.405 0.073 3 0 "[ . 1]" 1
898 2 36 PHE QD 2 46 LEU QD 2.432 . 3.172 2.799 2.206 3.162 . 0 0 "[ . 1]" 1
899 2 36 PHE QD 2 71 GLU HB3 2.423 . 3.157 2.178 1.870 2.595 . 0 0 "[ . 1]" 1
900 2 36 PHE HB2 2 36 PHE QD 2.404 . 3.127 2.283 2.254 2.335 . 0 0 "[ . 1]" 1
901 2 36 PHE HB3 2 36 PHE QD 2.400 . 3.120 2.686 2.494 2.758 . 0 0 "[ . 1]" 1
902 2 36 PHE QD 2 71 GLU HA 2.892 . 6.000 3.863 2.843 4.246 . 0 0 "[ . 1]" 1
903 2 36 PHE QD 2 46 LEU HA 2.486 . 3.258 2.237 1.955 2.618 . 0 0 "[ . 1]" 1
904 2 36 PHE QD 2 70 PHE HA 3.184 . 4.452 4.017 3.446 4.497 0.045 8 0 "[ . 1]" 1
905 2 70 PHE HB3 2 70 PHE QD 2.298 . 2.958 2.436 2.279 2.680 . 0 0 "[ . 1]" 1
906 2 70 PHE QD 2 71 GLU H 3.265 . 4.597 3.626 3.351 3.954 . 0 0 "[ . 1]" 1
907 2 69 VAL MG2 2 70 PHE QD 2.967 . 4.068 3.007 2.461 4.753 0.685 2 1 "[ + . 1]" 1
908 2 35 SER HA 2 36 PHE QD 3.335 . 4.726 4.242 3.739 4.408 . 0 0 "[ . 1]" 1
909 2 48 ILE MG 2 57 TYR QD 3.009 . 6.000 4.591 4.287 4.976 . 0 0 "[ . 1]" 1
910 2 57 TYR HA 2 57 TYR QD 2.919 . 3.984 2.755 2.434 2.962 . 0 0 "[ . 1]" 1
911 2 36 PHE QE 2 46 LEU QD 2.155 . 2.735 1.824 1.748 1.906 . 0 0 "[ . 1]" 1
912 2 36 PHE QE 2 71 GLU HB3 2.522 . 6.000 3.595 3.238 4.020 . 0 0 "[ . 1]" 1
913 2 36 PHE HB3 2 36 PHE QE 3.230 . 4.534 4.479 4.430 4.498 . 0 0 "[ . 1]" 1
914 2 36 PHE QE 2 71 GLU HA 2.927 . 6.000 3.958 3.491 4.248 . 0 0 "[ . 1]" 1
915 1 39 THR MG 2 64 TRP HH2 3.253 . 6.000 5.181 4.616 5.644 . 0 0 "[ . 1]" 1
916 1 76 ARG QB 2 64 TRP HH2 3.417 . 4.876 4.250 3.617 4.754 . 0 0 "[ . 1]" 1
917 1 76 ARG QD 2 64 TRP HH2 3.356 . 4.764 3.846 2.671 4.829 0.065 3 0 "[ . 1]" 1
918 1 75 THR HA 2 64 TRP HH2 3.055 . 4.221 3.267 2.445 4.243 0.022 8 0 "[ . 1]" 1
919 2 47 VAL HA 2 58 GLU HA 2.339 . 3.023 2.614 2.466 2.784 . 0 0 "[ . 1]" 1
920 2 58 GLU HA 2 58 GLU QB 2.251 . 2.884 2.379 2.346 2.406 . 0 0 "[ . 1]" 1
921 2 27 LEU HA 2 27 LEU HB2 2.382 . 3.091 2.479 2.359 2.527 . 0 0 "[ . 1]" 1
922 2 67 LEU HA 2 67 LEU HG 2.570 . 3.396 2.855 2.658 3.174 . 0 0 "[ . 1]" 1
923 2 70 PHE HA 2 70 PHE QD 2.455 . 3.208 2.791 2.228 3.098 . 0 0 "[ . 1]" 1
924 2 36 PHE QE 2 70 PHE HA 2.584 . 3.419 2.215 1.947 2.901 . 0 0 "[ . 1]" 1
925 2 70 PHE HA 2 70 PHE HB3 2.112 . 2.669 2.483 2.414 2.562 . 0 0 "[ . 1]" 1
926 1 79 PRO QG 2 59 GLU HA 2.488 . 3.262 2.873 2.565 3.267 0.005 6 0 "[ . 1]" 1
927 2 47 VAL HA 2 58 GLU QB 2.742 . 3.682 3.347 3.162 3.497 . 0 0 "[ . 1]" 1
928 2 27 LEU HB3 2 78 GLY HA3 3.047 . 4.208 4.580 4.190 4.778 0.570 10 3 "[* . - +]" 1
929 2 27 LEU HB3 2 78 GLY HA2 3.024 . 4.167 3.060 2.576 3.320 . 0 0 "[ . 1]" 1
930 2 27 LEU HA 2 27 LEU HB3 2.626 . 3.488 2.397 2.348 2.521 . 0 0 "[ . 1]" 1
931 2 46 LEU HB2 2 46 LEU QD 2.353 . 6.000 2.158 2.087 2.369 . 0 0 "[ . 1]" 1
932 2 46 LEU HB2 2 46 LEU HG 2.936 . 4.014 2.875 2.377 3.016 . 0 0 "[ . 1]" 1
933 2 67 LEU HA 2 67 LEU HB3 2.616 . 3.471 2.496 2.424 2.545 . 0 0 "[ . 1]" 1
934 2 67 LEU HB3 2 67 LEU HG 2.699 . 3.609 3.002 2.963 3.016 . 0 0 "[ . 1]" 1
935 2 27 LEU HB2 2 27 LEU QD 2.260 . 2.898 2.128 2.078 2.301 . 0 0 "[ . 1]" 1
936 2 27 LEU HB2 2 78 GLY HA2 2.481 . 3.251 2.143 1.723 2.400 . 0 0 "[ . 1]" 1
937 2 30 ILE HB 2 48 ILE MG 2.785 . 6.000 3.938 3.816 4.066 . 0 0 "[ . 1]" 1
938 2 30 ILE HB 2 30 ILE MD 2.214 . 2.827 2.444 2.412 2.478 . 0 0 "[ . 1]" 1
939 2 46 LEU HB3 2 46 LEU QD 2.409 . 3.134 2.195 2.143 2.284 . 0 0 "[ . 1]" 1
940 2 46 LEU HA 2 46 LEU HB3 2.876 . 3.910 2.985 2.669 3.024 . 0 0 "[ . 1]" 1
941 2 67 LEU HA 2 67 LEU HB2 2.679 . 3.576 3.014 3.000 3.019 . 0 0 "[ . 1]" 1
942 2 44 ARG QD 2 67 LEU MD1 2.408 . 3.133 2.132 1.834 2.626 . 0 0 "[ . 1]" 1
943 2 44 ARG HB3 2 44 ARG QD 2.689 . 3.490 2.688 2.475 3.267 . 0 0 "[ . 1]" 1
944 2 44 ARG QD 2 63 LYS HA 3.000 . 4.125 3.696 3.503 4.041 . 0 0 "[ . 1]" 1
945 2 36 PHE QD 2 44 ARG QD 3.061 . 4.158 2.872 2.706 3.251 . 0 0 "[ . 1]" 1
946 2 36 PHE QE 2 44 ARG QD 2.962 . 4.059 3.132 2.854 3.644 . 0 0 "[ . 1]" 1
947 2 30 ILE MD 2 55 ASP HB3 2.649 . 3.526 3.619 3.575 3.671 0.145 8 0 "[ . 1]" 1
948 2 50 PRO HB2 2 55 ASP HB2 2.762 . 6.000 5.180 3.647 6.050 0.050 4 0 "[ . 1]" 1
949 2 40 THR HB 2 41 LYS HB3 2.669 . 6.000 5.012 3.408 6.858 0.858 9 1 "[ . +1]" 1
950 2 31 SER QB 2 52 ASP HB2 2.808 . 3.794 3.022 1.852 4.352 0.558 9 1 "[ . +1]" 1
951 2 41 LYS HA 2 41 LYS HB3 2.517 . 3.309 2.684 2.413 3.032 . 0 0 "[ . 1]" 1
952 2 70 PHE HB2 2 70 PHE QD 2.285 . 2.937 2.364 2.269 2.536 . 0 0 "[ . 1]" 1
953 2 30 ILE MD 2 50 PRO HD3 2.789 . 3.762 2.139 2.072 2.225 . 0 0 "[ . 1]" 1
954 2 50 PRO HD3 2 56 PRO HA 2.586 . 3.422 3.020 2.541 3.371 . 0 0 "[ . 1]" 1
955 2 25 ALA HA 2 83 ASP HA 2.662 . 6.000 6.010 5.626 6.081 0.081 7 0 "[ . 1]" 1
956 2 25 ALA HA 2 26 ILE MD 2.860 . 3.882 3.712 3.402 3.847 . 0 0 "[ . 1]" 1
957 2 54 SER HA 2 56 PRO HD3 2.259 . 6.000 3.952 3.754 4.269 . 0 0 "[ . 1]" 1
958 2 54 SER HA 2 56 PRO HD2 2.467 . 6.000 5.657 5.502 5.939 . 0 0 "[ . 1]" 1
959 2 50 PRO QG 2 56 PRO HD2 2.422 . 6.000 4.754 4.510 5.112 . 0 0 "[ . 1]" 1
960 2 64 TRP HE3 2 65 ARG QB 3.391 . 4.829 4.092 3.574 4.660 . 0 0 "[ . 1]" 1
961 1 76 ARG QG 2 64 TRP HE3 3.188 . 6.000 4.912 4.630 5.244 . 0 0 "[ . 1]" 1
962 1 76 ARG QD 2 64 TRP HE3 3.185 . 4.453 4.477 4.338 4.530 0.077 4 0 "[ . 1]" 1
963 2 64 TRP HB3 2 64 TRP HE3 2.799 . 6.000 4.037 3.835 4.175 . 0 0 "[ . 1]" 1
964 2 64 TRP HB2 2 64 TRP HE3 2.964 . 4.062 2.515 2.405 2.676 . 0 0 "[ . 1]" 1
965 2 64 TRP HE3 2 65 ARG HA 2.759 . 6.000 4.272 3.576 4.997 . 0 0 "[ . 1]" 1
966 2 64 TRP HA 2 64 TRP HE3 3.237 . 6.000 4.857 4.481 5.162 . 0 0 "[ . 1]" 1
967 2 32 GLY HA3 2 48 ILE MG 2.690 . 3.595 3.268 2.973 3.576 . 0 0 "[ . 1]" 1
968 1 75 THR HA 2 64 TRP HZ2 2.895 . 3.943 3.183 2.587 4.002 0.059 5 0 "[ . 1]" 1
969 2 43 LYS QD 2 64 TRP HZ2 2.679 . 3.576 3.148 2.641 3.493 . 0 0 "[ . 1]" 1
970 2 77 ARG HA 2 77 ARG HD2 2.929 . 6.000 4.585 4.337 4.935 . 0 0 "[ . 1]" 1
971 2 54 SER HA 2 54 SER HB2 2.185 . 2.782 2.754 2.560 3.000 0.218 10 0 "[ . 1]" 1
972 2 54 SER HA 2 54 SER HB3 2.194 . 2.796 2.451 2.304 2.988 0.192 7 0 "[ . 1]" 1
973 2 31 SER HA 2 31 SER QB 2.358 . 3.053 2.359 2.181 2.430 . 0 0 "[ . 1]" 1
974 2 31 SER QB 2 76 GLU HA 2.558 . 3.376 2.319 2.155 2.509 . 0 0 "[ . 1]" 1
975 2 35 SER HA 2 35 SER HB3 2.209 . 2.819 2.338 2.279 2.378 . 0 0 "[ . 1]" 1
976 2 35 SER HA 2 35 SER HB2 2.233 . 2.856 2.594 2.543 2.690 . 0 0 "[ . 1]" 1
977 2 35 SER HB3 2 71 GLU HB2 2.649 . 3.526 3.329 3.115 3.532 0.006 1 0 "[ . 1]" 1
978 2 24 PRO HA 2 24 PRO HD3 2.657 . 3.540 3.104 2.880 3.958 0.418 1 0 "[ . 1]" 1
979 2 24 PRO HA 2 24 PRO HB3 2.061 . 2.592 2.244 2.228 2.249 . 0 0 "[ . 1]" 1
980 2 24 PRO HA 2 25 ALA MB 2.745 . 6.000 3.954 3.896 4.000 . 0 0 "[ . 1]" 1
981 2 24 PRO HA 2 27 LEU QD 2.910 . 3.968 2.161 1.794 2.432 0.058 1 0 "[ . 1]" 1
982 2 43 LYS QD 2 62 PRO HA 2.536 . 3.340 2.464 2.052 2.748 . 0 0 "[ . 1]" 1
983 2 80 VAL HA 2 80 VAL HB 2.618 . 3.474 2.458 2.386 3.019 . 0 0 "[ . 1]" 1
984 2 26 ILE HB 2 82 SER HB3 2.709 . 6.000 2.849 2.183 3.501 . 0 0 "[ . 1]" 1
985 2 81 ILE MG 2 82 SER HB2 2.433 . 3.173 2.522 2.326 2.685 . 0 0 "[ . 1]" 1
986 2 33 ILE HG13 2 49 THR HB 1.906 . 6.000 4.169 3.976 4.409 . 0 0 "[ . 1]" 1
987 2 33 ILE HB 2 49 THR HB 2.356 . 3.050 2.108 1.940 2.299 . 0 0 "[ . 1]" 1
988 2 49 THR HB 2 72 GLY HA2 3.134 . 6.000 6.143 6.116 6.188 0.188 7 0 "[ . 1]" 1
989 2 74 ARG HA 2 74 ARG HD3 2.713 . 3.633 3.185 2.921 3.445 . 0 0 "[ . 1]" 1
990 2 30 ILE HA 2 77 ARG HD3 2.696 . 6.000 4.231 2.709 4.853 . 0 0 "[ . 1]" 1
991 2 74 ARG HB2 2 74 ARG HD3 2.428 . 3.165 2.434 2.281 2.642 . 0 0 "[ . 1]" 1
992 2 77 ARG HD3 2 77 ARG HG3 2.248 . 2.880 2.739 2.412 3.016 0.136 7 0 "[ . 1]" 1
993 2 33 ILE MD 2 74 ARG HD3 2.313 . 2.982 2.424 2.014 2.787 . 0 0 "[ . 1]" 1
994 2 33 ILE MD 2 74 ARG HD2 2.486 . 3.259 2.745 2.315 3.024 . 0 0 "[ . 1]" 1
995 2 77 ARG HD2 2 77 ARG HG3 2.328 . 3.006 2.626 2.424 3.014 0.008 1 0 "[ . 1]" 1
996 2 74 ARG HB2 2 74 ARG HD2 2.360 . 3.056 2.970 2.708 3.182 0.126 6 0 "[ . 1]" 1
997 2 74 ARG HA 2 74 ARG HD2 3.074 . 4.255 2.356 2.094 2.593 . 0 0 "[ . 1]" 1
998 1 75 THR HA 2 43 LYS HE3 2.636 . 3.505 2.769 1.969 3.905 0.400 6 0 "[ . 1]" 1
999 1 75 THR HA 2 43 LYS HE2 2.852 . 3.869 3.156 2.567 3.850 . 0 0 "[ . 1]" 1
1000 1 74 VAL QG 2 43 LYS HE3 2.401 . 3.122 2.884 2.025 3.195 0.073 3 0 "[ . 1]" 1
1001 2 39 GLU QB 2 44 ARG HA 2.013 . 2.519 2.286 1.942 2.659 0.140 10 0 "[ . 1]" 1
1002 2 39 GLU HG3 2 44 ARG HA 2.303 . 2.966 3.121 2.800 3.450 0.484 3 0 "[ . 1]" 1
1003 2 52 ASP HA 2 52 ASP HB3 2.185 . 2.782 2.824 2.475 3.030 0.248 4 0 "[ . 1]" 1
1004 2 36 PHE QE 2 46 LEU HA 2.695 . 6.000 3.231 2.627 3.730 . 0 0 "[ . 1]" 1
1005 2 36 PHE HA 2 46 LEU HA 2.795 . 3.772 3.154 2.995 3.233 . 0 0 "[ . 1]" 1
1006 2 25 ALA MB 2 26 ILE HA 2.547 . 6.000 4.049 4.017 4.108 . 0 0 "[ . 1]" 1
1007 2 26 ILE HA 2 66 GLN QB 3.068 . 6.000 5.092 3.286 6.019 0.019 4 0 "[ . 1]" 1
1008 2 26 ILE HA 2 66 GLN QG 3.200 . 4.480 4.509 4.195 4.708 0.228 2 0 "[ . 1]" 1
1009 2 30 ILE HA 2 30 ILE MG 2.086 . 2.630 2.276 2.256 2.318 . 0 0 "[ . 1]" 1
1010 2 30 ILE HA 2 77 ARG HB2 2.417 . 3.147 2.277 2.134 2.509 . 0 0 "[ . 1]" 1
1011 2 30 ILE HA 2 77 ARG HB3 2.543 . 6.000 3.987 3.814 4.219 . 0 0 "[ . 1]" 1
1012 2 30 ILE HA 2 30 ILE HB 2.242 . 2.870 2.545 2.497 2.571 . 0 0 "[ . 1]" 1
1013 2 63 LYS HA 2 63 LYS HG2 2.327 . 3.004 2.581 2.331 3.438 0.434 5 0 "[ . 1]" 1
1014 2 35 SER HA 2 71 GLU HA 2.490 . 3.265 2.134 2.042 2.323 . 0 0 "[ . 1]" 1
1015 2 74 ARG HA 2 74 ARG HB2 2.575 . 3.404 2.372 2.360 2.397 . 0 0 "[ . 1]" 1
1016 2 74 ARG HA 2 74 ARG HB3 2.478 . 3.246 3.009 3.003 3.015 . 0 0 "[ . 1]" 1
1017 2 74 ARG HB2 2 74 ARG QG 2.074 . 2.612 2.376 2.359 2.396 . 0 0 "[ . 1]" 1
1018 2 39 GLU HA 2 39 GLU QB 2.277 . 2.925 2.173 2.134 2.280 . 0 0 "[ . 1]" 1
1019 2 47 VAL HB 2 47 VAL QG 1.919 . 2.379 1.897 1.892 1.899 . 0 0 "[ . 1]" 1
1020 2 50 PRO HB2 2 54 SER HA 2.160 . 6.000 3.278 1.998 3.932 . 0 0 "[ . 1]" 1
1021 2 74 ARG HA 2 74 ARG QG 2.349 . 3.039 3.044 3.001 3.067 0.028 7 0 "[ . 1]" 1
1022 2 24 PRO HD3 2 24 PRO HG3 2.202 . 2.808 2.341 2.330 2.357 . 0 0 "[ . 1]" 1
1023 2 30 ILE MD 2 50 PRO QG 2.174 . 2.765 2.520 2.318 2.690 . 0 0 "[ . 1]" 1
1024 2 50 PRO HD2 2 50 PRO QG 2.230 . 2.852 2.181 2.178 2.184 . 0 0 "[ . 1]" 1
1025 2 50 PRO HD3 2 50 PRO QG 2.369 . 3.070 2.239 2.228 2.245 . 0 0 "[ . 1]" 1
1026 2 50 PRO QG 2 56 PRO HA 2.466 . 3.226 2.477 2.119 2.877 . 0 0 "[ . 1]" 1
1027 2 66 GLN QB 2 66 GLN QG 1.806 . 2.214 2.030 1.984 2.085 . 0 0 "[ . 1]" 1
1028 2 50 PRO HA 2 50 PRO HB3 2.406 . 3.130 2.280 2.271 2.296 . 0 0 "[ . 1]" 1
1029 2 66 GLN HA 2 66 GLN QG 2.152 . 6.000 3.110 2.452 3.526 . 0 0 "[ . 1]" 1
1030 2 30 ILE MD 2 50 PRO HB3 2.471 . 3.234 1.965 1.853 2.124 . 0 0 "[ . 1]" 1
1031 2 50 PRO QG 2 56 PRO HD3 2.095 . 6.000 3.764 3.367 4.220 . 0 0 "[ . 1]" 1
1032 2 50 PRO HB3 2 50 PRO QG 2.291 . 2.947 2.241 2.238 2.246 . 0 0 "[ . 1]" 1
1033 2 33 ILE MD 2 74 ARG HA 2.128 . 2.694 1.951 1.848 2.023 . 0 0 "[ . 1]" 1
1034 2 33 ILE HA 2 33 ILE MD 2.176 . 2.768 2.136 2.077 2.178 . 0 0 "[ . 1]" 1
1035 2 33 ILE MD 2 74 ARG HB2 2.239 . 2.866 2.065 2.021 2.114 . 0 0 "[ . 1]" 1
1036 2 26 ILE MD 2 26 ILE HG13 2.225 . 2.844 2.119 2.116 2.121 . 0 0 "[ . 1]" 1
1037 2 33 ILE MD 2 33 ILE HG12 1.890 . 2.337 2.118 2.115 2.120 . 0 0 "[ . 1]" 1
1038 2 33 ILE MD 2 33 ILE HG13 2.026 . 2.539 2.122 2.118 2.123 . 0 0 "[ . 1]" 1
1039 2 81 ILE MD 2 81 ILE HG12 2.210 . 2.820 2.120 2.117 2.122 . 0 0 "[ . 1]" 1
1040 2 81 ILE MD 2 81 ILE HG13 1.958 . 2.437 2.119 2.118 2.121 . 0 0 "[ . 1]" 1
1041 2 26 ILE MD 2 66 GLN QB 2.664 . 3.551 2.613 1.891 3.634 0.083 4 0 "[ . 1]" 1
1042 2 26 ILE HA 2 26 ILE MD 2.075 . 2.613 2.219 2.145 2.421 . 0 0 "[ . 1]" 1
1043 2 30 ILE MD 2 57 TYR QD 2.889 . 3.932 3.835 3.552 3.974 0.042 3 0 "[ . 1]" 1
1044 2 30 ILE MD 2 57 TYR QB 2.364 . 3.062 2.144 1.993 2.303 . 0 0 "[ . 1]" 1
1045 2 30 ILE MD 2 48 ILE HB 2.507 . 3.293 2.193 1.992 2.479 . 0 0 "[ . 1]" 1
1046 2 30 ILE MD 2 48 ILE MG 2.169 . 2.757 2.710 2.623 2.769 0.012 3 0 "[ . 1]" 1
1047 2 77 ARG HA 2 77 ARG HB2 2.657 . 3.539 2.418 2.368 2.490 . 0 0 "[ . 1]" 1
1048 2 43 LYS HA 2 43 LYS QD 2.904 . 3.680 2.107 1.831 2.511 0.019 9 0 "[ . 1]" 1
1049 2 43 LYS QD 2 43 LYS HE2 3.093 . 3.867 2.330 2.165 2.439 . 0 0 "[ . 1]" 1
1050 1 60 LEU MD2 2 45 ARG HG3 2.717 . 3.640 2.039 1.822 2.649 . 0 0 "[ . 1]" 1
1051 2 26 ILE HA 2 81 ILE HG13 2.628 . 6.000 5.600 5.282 5.973 . 0 0 "[ . 1]" 1
1052 2 27 LEU HA 2 27 LEU HG 2.640 . 6.000 3.665 3.590 3.733 . 0 0 "[ . 1]" 1
1053 2 27 LEU HG 2 78 GLY HA2 2.618 . 6.000 4.008 3.344 4.258 . 0 0 "[ . 1]" 1
1054 2 27 LEU QD 2 27 LEU HG 1.776 . 2.170 1.889 1.882 1.892 . 0 0 "[ . 1]" 1
1055 2 45 ARG HA 2 45 ARG HG2 2.794 . 3.769 3.031 2.850 3.359 . 0 0 "[ . 1]" 1
1056 2 45 ARG HA 2 45 ARG HG3 2.737 . 3.673 2.603 2.547 2.678 . 0 0 "[ . 1]" 1
1057 2 45 ARG QD 2 45 ARG HG2 2.635 . 3.503 2.342 2.171 2.414 . 0 0 "[ . 1]" 1
1058 2 38 LYS QE 2 45 ARG HG2 2.736 . 6.000 4.887 4.189 5.359 . 0 0 "[ . 1]" 1
1059 2 77 ARG HB2 2 77 ARG HD2 2.691 . 3.596 2.903 2.405 3.743 0.147 3 0 "[ . 1]" 1
1060 2 36 PHE QD 2 44 ARG HB3 3.040 . 6.000 4.776 4.169 5.330 . 0 0 "[ . 1]" 1
1061 2 44 ARG HA 2 44 ARG HB3 2.482 . 3.252 3.029 3.022 3.038 . 0 0 "[ . 1]" 1
1062 2 44 ARG HB2 2 44 ARG QD 2.600 . 3.445 2.586 2.288 2.721 . 0 0 "[ . 1]" 1
1063 2 43 LYS HB2 2 43 LYS QG 2.417 . 3.147 2.327 2.283 2.360 . 0 0 "[ . 1]" 1
1064 2 56 PRO HA 2 56 PRO HB3 2.389 . 3.102 2.287 2.272 2.317 . 0 0 "[ . 1]" 1
1065 2 24 PRO HB2 2 24 PRO HD3 2.527 . 6.000 3.861 3.834 3.954 . 0 0 "[ . 1]" 1
1066 2 63 LYS HA 2 63 LYS QD 2.434 . 3.174 2.745 2.247 3.410 0.236 5 0 "[ . 1]" 1
1067 2 63 LYS QD 2 63 LYS QE 1.969 . 2.454 2.040 1.998 2.093 . 0 0 "[ . 1]" 1
1068 2 77 ARG HA 2 77 ARG HB3 2.487 . 3.260 3.020 3.011 3.026 . 0 0 "[ . 1]" 1
1069 2 77 ARG HB3 2 77 ARG HD2 2.575 . 3.404 2.942 2.367 3.730 0.326 10 0 "[ . 1]" 1
1070 2 24 PRO HB3 2 24 PRO HD3 2.491 . 3.267 3.087 2.923 4.034 0.767 1 1 "[+ . 1]" 1
1071 2 38 LYS QB 2 38 LYS QG 1.828 . 2.246 2.003 1.993 2.017 . 0 0 "[ . 1]" 1
1072 2 38 LYS QB 2 38 LYS QE 2.575 . 6.000 3.784 3.626 3.888 . 0 0 "[ . 1]" 1
1073 2 38 LYS HA 2 38 LYS QB 1.935 . 2.403 2.168 2.156 2.179 . 0 0 "[ . 1]" 1
1074 2 63 LYS HB3 2 63 LYS QE 2.646 . 3.521 2.079 1.881 2.462 . 0 0 "[ . 1]" 1
1075 2 35 SER HB2 2 71 GLU HB2 2.352 . 3.044 3.155 3.027 3.357 0.313 2 0 "[ . 1]" 1
1076 2 71 GLU HA 2 71 GLU HB2 2.229 . 2.850 2.449 2.424 2.489 . 0 0 "[ . 1]" 1
1077 2 36 PHE QE 2 71 GLU HB2 3.036 . 6.000 5.040 4.749 5.317 . 0 0 "[ . 1]" 1
1078 2 36 PHE QD 2 71 GLU HB2 2.933 . 4.009 3.786 3.442 3.985 . 0 0 "[ . 1]" 1
1079 2 35 SER HA 2 71 GLU HB3 2.694 . 3.601 2.851 2.542 3.044 . 0 0 "[ . 1]" 1
1080 2 71 GLU HA 2 71 GLU HB3 2.307 . 2.972 2.418 2.379 2.451 . 0 0 "[ . 1]" 1
1081 2 26 ILE HG13 2 66 GLN QB 2.885 . 3.925 3.478 2.856 3.971 0.046 1 0 "[ . 1]" 1
1082 2 73 GLU HA 2 73 GLU HB3 2.242 . 2.870 2.545 2.505 2.572 . 0 0 "[ . 1]" 1
1083 2 56 PRO HA 2 56 PRO HB2 2.482 . 3.252 2.960 2.934 2.995 . 0 0 "[ . 1]" 1
1084 2 75 VAL HB 2 79 ASP QB 2.612 . 6.000 5.270 4.715 5.442 . 0 0 "[ . 1]" 1
1085 2 68 ASN QB 2 69 VAL HB 2.717 . 6.000 3.860 3.514 5.587 . 0 0 "[ . 1]" 1
1086 2 28 ALA MB 2 75 VAL HB 2.515 . 3.306 3.139 2.916 3.332 0.026 8 0 "[ . 1]" 1
1087 2 44 ARG HB2 2 63 LYS HA 2.756 . 3.705 3.373 2.808 3.763 0.058 2 0 "[ . 1]" 1
1088 2 45 ARG QB 2 45 ARG QD 2.923 . 3.991 2.199 2.121 2.332 . 0 0 "[ . 1]" 1
1089 2 38 LYS QE 2 45 ARG QB 2.754 . 6.000 3.685 2.958 4.683 . 0 0 "[ . 1]" 1
1090 2 45 ARG QB 2 47 VAL QG 3.012 . 4.146 3.364 3.192 3.473 . 0 0 "[ . 1]" 1
1091 2 38 LYS QD 2 38 LYS QE 1.742 . 2.121 2.012 1.970 2.087 . 0 0 "[ . 1]" 1
1092 2 28 ALA HA 2 68 ASN QB 3.223 . 4.522 4.012 3.560 4.216 . 0 0 "[ . 1]" 1
1093 2 26 ILE HA 2 68 ASN QB 3.081 . 6.000 4.579 3.947 5.597 . 0 0 "[ . 1]" 1
1094 2 70 PHE HA 2 73 GLU HG2 3.161 . 6.000 4.881 4.699 5.120 . 0 0 "[ . 1]" 1
1095 2 65 ARG QG 2 67 LEU HG 2.776 . 3.739 3.687 3.580 3.830 0.091 8 0 "[ . 1]" 1
1096 2 77 ARG HA 2 77 ARG HG3 2.531 . 3.332 2.664 2.520 2.740 . 0 0 "[ . 1]" 1
1097 2 77 ARG HD2 2 77 ARG HG2 2.217 . 2.831 2.738 2.407 3.015 0.184 7 0 "[ . 1]" 1
1098 2 29 GLU HA 2 77 ARG HG2 3.079 . 6.000 4.524 3.982 4.856 . 0 0 "[ . 1]" 1
1099 2 29 GLU HA 2 77 ARG HG3 3.012 . 4.146 3.229 2.790 3.572 . 0 0 "[ . 1]" 1
1100 2 48 ILE MG 2 57 TYR QB 3.228 . 4.530 4.062 3.783 4.432 . 0 0 "[ . 1]" 1
1101 2 51 VAL MG2 2 52 ASP HB2 2.762 . 3.716 3.322 2.665 4.476 0.760 9 1 "[ . +1]" 1
1102 2 75 VAL MG2 2 79 ASP QB 2.718 . 6.000 5.990 5.621 6.080 0.080 1 0 "[ . 1]" 1
1103 2 48 ILE MG 2 75 VAL MG2 2.216 . 6.000 3.139 2.913 3.411 . 0 0 "[ . 1]" 1
1104 2 26 ILE HA 2 81 ILE HG12 2.681 . 6.000 6.010 5.931 6.054 0.054 9 0 "[ . 1]" 1
1105 2 32 GLY HA3 2 50 PRO HA 2.803 . 3.785 2.396 2.114 2.768 . 0 0 "[ . 1]" 1
1106 2 50 PRO HB3 2 50 PRO HD3 2.638 . 3.508 2.999 2.976 3.016 . 0 0 "[ . 1]" 1
1107 2 57 TYR HA 2 57 TYR QB 3.021 . 4.162 2.380 2.360 2.428 . 0 0 "[ . 1]" 1
1108 2 57 TYR QB 2 57 TYR QD 2.753 . 3.700 2.140 2.135 2.147 . 0 0 "[ . 1]" 1
1109 2 48 ILE HB 2 57 TYR QD 3.032 . 4.181 3.777 3.482 4.026 . 0 0 "[ . 1]" 1
1110 2 76 GLU HB2 2 76 GLU HG3 2.181 . 2.776 2.448 2.378 2.496 . 0 0 "[ . 1]" 1
1111 2 76 GLU HB2 2 76 GLU HG2 2.270 . 6.000 3.009 3.004 3.011 . 0 0 "[ . 1]" 1
1112 2 39 GLU QB 2 39 GLU HG3 2.121 . 2.683 2.377 2.323 2.479 . 0 0 "[ . 1]" 1
1113 2 83 ASP HA 2 83 ASP HB3 2.276 . 2.923 2.509 2.454 2.594 . 0 0 "[ . 1]" 1
1114 2 83 ASP HA 2 83 ASP HB2 2.273 . 2.919 2.531 2.374 3.013 0.094 10 0 "[ . 1]" 1
1115 2 39 GLU HG2 2 44 ARG HA 2.570 . 3.395 2.134 1.796 2.852 . 0 0 "[ . 1]" 1
1116 2 33 ILE HA 2 34 VAL H 2.404 . 3.126 2.178 2.166 2.194 . 0 0 "[ . 1]" 1
1117 2 34 VAL H 2 34 VAL HB 2.376 . 3.081 2.797 2.604 2.895 . 0 0 "[ . 1]" 1
1118 2 34 VAL H 2 34 VAL QG 2.447 . 3.196 1.891 1.812 2.079 0.072 9 0 "[ . 1]" 1
1119 2 45 ARG HA 2 46 LEU H 2.493 . 3.270 2.175 2.153 2.208 . 0 0 "[ . 1]" 1
1120 2 46 LEU H 2 46 LEU HB3 2.671 . 3.563 2.598 2.444 3.487 . 0 0 "[ . 1]" 1
1121 2 46 LEU H 2 46 LEU HB2 2.753 . 3.700 2.593 2.230 2.730 . 0 0 "[ . 1]" 1
1122 2 82 SER HA 2 83 ASP H 2.392 . 3.107 2.120 2.091 2.157 . 0 0 "[ . 1]" 1
1123 2 83 ASP H 2 83 ASP HA 2.760 . 3.712 2.913 2.894 2.941 . 0 0 "[ . 1]" 1
1124 2 80 VAL HA 2 81 ILE H 2.524 . 6.000 3.600 3.551 3.620 . 0 0 "[ . 1]" 1
1125 2 81 ILE H 2 81 ILE HB 2.815 . 3.806 2.645 2.594 2.697 . 0 0 "[ . 1]" 1
1126 2 80 VAL QG 2 81 ILE H 2.509 . 3.296 1.807 1.622 2.746 0.100 6 0 "[ . 1]" 1
1127 2 26 ILE HA 2 27 LEU H 2.555 . 3.371 2.317 2.207 2.420 . 0 0 "[ . 1]" 1
1128 2 27 LEU H 2 27 LEU HG 2.727 . 3.656 2.473 2.301 3.546 . 0 0 "[ . 1]" 1
1129 2 46 LEU HA 2 47 VAL H 2.335 . 3.017 2.160 2.137 2.189 . 0 0 "[ . 1]" 1
1130 2 47 VAL H 2 47 VAL HB 2.593 . 6.000 3.656 2.621 3.818 . 0 0 "[ . 1]" 1
1131 2 47 VAL H 2 47 VAL QG 2.269 . 2.912 2.136 2.004 2.573 . 0 0 "[ . 1]" 1
1132 2 66 GLN HA 2 67 LEU H 2.387 . 3.099 2.127 2.094 2.190 . 0 0 "[ . 1]" 1
1133 2 67 LEU H 2 67 LEU HG 2.862 . 3.886 2.562 2.250 2.879 . 0 0 "[ . 1]" 1
1134 2 44 ARG HA 2 45 ARG H 2.321 . 2.994 2.213 2.180 2.282 . 0 0 "[ . 1]" 1
1135 2 45 ARG H 2 45 ARG QB 2.447 . 3.196 2.283 2.258 2.308 . 0 0 "[ . 1]" 1
1136 2 28 ALA HA 2 29 GLU H 2.571 . 3.397 2.170 2.148 2.206 . 0 0 "[ . 1]" 1
1137 2 38 LYS HA 2 39 GLU H 2.046 . 2.569 2.143 2.080 2.195 . 0 0 "[ . 1]" 1
1138 2 39 GLU H 2 39 GLU HG3 2.708 . 3.625 2.348 2.036 2.591 . 0 0 "[ . 1]" 1
1139 2 39 GLU H 2 39 GLU QB 2.241 . 6.000 3.096 2.683 3.217 . 0 0 "[ . 1]" 1
1140 2 38 LYS QB 2 39 GLU H 2.520 . 3.314 2.988 2.792 3.118 . 0 0 "[ . 1]" 1
1141 2 65 ARG HA 2 66 GLN H 2.479 . 3.247 2.207 2.149 2.301 . 0 0 "[ . 1]" 1
1142 2 66 GLN H 2 66 GLN QB 2.468 . 3.229 2.443 2.218 2.708 . 0 0 "[ . 1]" 1
1143 2 48 ILE HA 2 49 THR H 2.456 . 3.210 2.138 2.101 2.184 . 0 0 "[ . 1]" 1
1144 2 49 THR H 2 49 THR HB 2.651 . 3.529 2.518 2.459 2.588 . 0 0 "[ . 1]" 1
1145 2 48 ILE MG 2 49 THR H 2.839 . 3.846 2.636 2.363 3.005 . 0 0 "[ . 1]" 1
1146 2 57 TYR H 2 57 TYR QB 2.798 . 3.776 2.662 2.478 2.796 . 0 0 "[ . 1]" 1
1147 2 56 PRO HA 2 57 TYR H 2.571 . 3.397 2.169 2.121 2.254 . 0 0 "[ . 1]" 1
1148 2 47 VAL HA 2 48 ILE H 2.522 . 3.317 2.163 2.144 2.227 . 0 0 "[ . 1]" 1
1149 2 27 LEU HA 2 28 ALA H 2.392 . 3.107 2.409 2.324 2.468 . 0 0 "[ . 1]" 1
1150 2 28 ALA H 2 28 ALA HA 2.869 . 3.898 2.912 2.878 2.932 . 0 0 "[ . 1]" 1
1151 2 28 ALA H 2 28 ALA MB 2.270 . 2.914 2.303 2.267 2.332 . 0 0 "[ . 1]" 1
1152 2 27 LEU HB3 2 28 ALA H 2.802 . 3.783 3.660 3.478 3.811 0.028 4 0 "[ . 1]" 1
1153 2 37 GLY HA2 2 38 LYS H 2.688 . 3.591 2.785 2.590 3.020 . 0 0 "[ . 1]" 1
1154 2 38 LYS H 2 38 LYS HA 2.744 . 3.685 2.762 2.746 2.775 . 0 0 "[ . 1]" 1
1155 2 37 GLY HA3 2 38 LYS H 2.594 . 3.435 2.357 2.191 2.482 . 0 0 "[ . 1]" 1
1156 2 38 LYS H 2 45 ARG QB 2.776 . 3.740 3.334 2.858 3.655 . 0 0 "[ . 1]" 1
1157 2 24 PRO HA 2 25 ALA H 2.447 . 3.195 2.202 2.116 2.324 . 0 0 "[ . 1]" 1
1158 2 25 ALA H 2 25 ALA MB 2.490 . 3.265 2.446 2.264 2.683 . 0 0 "[ . 1]" 1
1159 2 76 GLU H 2 76 GLU HG2 2.793 . 6.000 4.545 4.520 4.597 . 0 0 "[ . 1]" 1
1160 2 76 GLU H 2 76 GLU HB3 2.699 . 3.610 2.720 2.637 2.819 . 0 0 "[ . 1]" 1
1161 2 75 VAL HA 2 76 GLU H 2.278 . 2.927 2.436 2.323 2.533 . 0 0 "[ . 1]" 1
1162 2 75 VAL HB 2 76 GLU H 2.464 . 3.223 2.307 2.116 2.540 . 0 0 "[ . 1]" 1
1163 2 76 GLU H 2 76 GLU HB2 2.482 . 3.252 2.879 2.759 3.027 . 0 0 "[ . 1]" 1
1164 2 34 VAL HA 2 35 SER H 2.438 . 3.181 2.157 2.122 2.186 . 0 0 "[ . 1]" 1
1165 2 35 SER H 2 47 VAL QG 2.671 . 3.563 3.107 2.736 3.633 0.070 2 0 "[ . 1]" 1
1166 2 34 VAL QG 2 35 SER H 2.618 . 3.475 2.605 2.448 2.797 . 0 0 "[ . 1]" 1
1167 2 62 PRO HA 2 63 LYS H 2.505 . 3.289 2.249 2.139 2.344 . 0 0 "[ . 1]" 1
1168 2 74 ARG H 2 74 ARG HA 2.858 . 3.879 2.902 2.870 2.920 . 0 0 "[ . 1]" 1
1169 2 73 GLU HA 2 74 ARG H 2.128 . 2.694 2.196 2.139 2.253 . 0 0 "[ . 1]" 1
1170 2 73 GLU HG2 2 74 ARG H 2.857 . 6.000 4.854 4.763 4.942 . 0 0 "[ . 1]" 1
1171 2 74 ARG H 2 74 ARG HB2 2.259 . 2.897 2.869 2.802 2.916 0.019 7 0 "[ . 1]" 1
1172 2 74 ARG H 2 74 ARG HB3 2.452 . 3.204 2.325 2.286 2.392 . 0 0 "[ . 1]" 1
1173 2 76 GLU HB3 2 77 ARG H 2.726 . 6.000 3.558 3.399 3.774 . 0 0 "[ . 1]" 1
1174 2 77 ARG H 2 77 ARG HB2 2.529 . 3.329 2.564 2.502 2.646 . 0 0 "[ . 1]" 1
1175 2 76 GLU HA 2 77 ARG H 2.487 . 3.260 2.358 2.269 2.454 . 0 0 "[ . 1]" 1
1176 2 77 ARG H 2 77 ARG HA 2.748 . 3.692 2.780 2.746 2.828 . 0 0 "[ . 1]" 1
1177 2 77 ARG H 2 77 ARG HB3 2.538 . 3.343 2.458 2.400 2.590 . 0 0 "[ . 1]" 1
1178 2 72 GLY H 2 73 GLU H 2.525 . 3.322 2.417 2.331 2.512 . 0 0 "[ . 1]" 1
1179 2 73 GLU H 2 73 GLU HA 2.553 . 3.368 2.931 2.898 2.942 . 0 0 "[ . 1]" 1
1180 2 71 GLU HA 2 73 GLU H 2.875 . 3.908 3.227 3.079 3.354 . 0 0 "[ . 1]" 1
1181 2 72 GLY HA3 2 73 GLU H 2.847 . 3.860 3.432 3.344 3.479 . 0 0 "[ . 1]" 1
1182 2 73 GLU H 2 73 GLU HG2 2.739 . 3.677 2.928 2.620 3.069 . 0 0 "[ . 1]" 1
1183 2 73 GLU H 2 73 GLU HB2 2.295 . 2.954 2.390 2.331 2.450 . 0 0 "[ . 1]" 1
1184 2 78 GLY H 2 79 ASP H 2.413 . 3.141 3.135 3.022 3.234 0.093 2 0 "[ . 1]" 1
1185 2 78 GLY HA2 2 79 ASP H 2.505 . 6.000 3.529 3.510 3.555 . 0 0 "[ . 1]" 1
1186 2 79 ASP H 2 79 ASP QB 2.356 . 3.050 2.315 2.223 2.387 . 0 0 "[ . 1]" 1
1187 2 28 ALA MB 2 79 ASP H 2.308 . 6.000 4.984 4.785 5.329 . 0 0 "[ . 1]" 1
1188 2 25 ALA HA 2 26 ILE H 2.318 . 6.000 3.227 2.923 3.519 . 0 0 "[ . 1]" 1
1189 2 26 ILE H 2 26 ILE HB 2.722 . 3.648 2.742 2.656 2.932 . 0 0 "[ . 1]" 1
1190 2 26 ILE H 2 26 ILE MD 2.675 . 3.569 3.075 2.839 3.492 . 0 0 "[ . 1]" 1
1191 2 79 ASP HA 2 80 VAL H 2.186 . 2.784 2.139 2.100 2.172 . 0 0 "[ . 1]" 1
1192 2 80 VAL H 2 80 VAL HA 2.716 . 3.638 2.799 2.772 2.891 . 0 0 "[ . 1]" 1
1193 2 80 VAL H 2 80 VAL HB 2.312 . 6.000 3.587 3.094 3.673 . 0 0 "[ . 1]" 1
1194 2 80 VAL H 2 80 VAL QG 2.255 . 2.890 2.718 2.649 2.894 0.004 1 0 "[ . 1]" 1
1195 2 33 ILE H 2 49 THR H 2.690 . 3.595 3.305 3.095 3.559 . 0 0 "[ . 1]" 1
1196 2 33 ILE H 2 33 ILE HA 2.840 . 3.848 2.930 2.924 2.939 . 0 0 "[ . 1]" 1
1197 2 32 GLY HA3 2 33 ILE H 2.540 . 3.346 2.252 2.193 2.321 . 0 0 "[ . 1]" 1
1198 2 32 GLY HA2 2 33 ILE H 2.562 . 3.383 2.856 2.792 2.937 . 0 0 "[ . 1]" 1
1199 2 33 ILE H 2 33 ILE HB 2.409 . 3.135 2.537 2.465 2.594 . 0 0 "[ . 1]" 1
1200 2 33 ILE H 2 33 ILE HG12 2.757 . 3.707 2.438 2.304 2.518 . 0 0 "[ . 1]" 1
1201 2 33 ILE H 2 33 ILE HG13 2.789 . 3.761 3.803 3.766 3.824 0.063 6 0 "[ . 1]" 1
1202 2 33 ILE H 2 48 ILE MG 2.844 . 3.855 3.728 3.389 3.897 0.042 6 0 "[ . 1]" 1
1203 2 64 TRP H 2 65 ARG H 2.857 . 3.877 2.379 2.295 2.533 . 0 0 "[ . 1]" 1
1204 2 65 ARG H 2 67 LEU HG 2.772 . 6.000 4.584 4.014 5.101 . 0 0 "[ . 1]" 1
1205 2 65 ARG H 2 65 ARG QB 2.720 . 3.645 2.227 2.157 2.294 . 0 0 "[ . 1]" 1
1206 2 70 PHE HB2 2 71 GLU H 2.626 . 3.488 3.313 3.213 3.411 . 0 0 "[ . 1]" 1
1207 2 36 PHE QE 2 71 GLU H 2.840 . 3.849 3.037 2.722 3.861 0.012 3 0 "[ . 1]" 1
1208 2 70 PHE HA 2 71 GLU H 2.230 . 2.852 2.578 2.527 2.632 . 0 0 "[ . 1]" 1
1209 2 71 GLU H 2 71 GLU HA 2.655 . 3.536 2.876 2.870 2.883 . 0 0 "[ . 1]" 1
1210 2 70 PHE HB3 2 71 GLU H 2.518 . 3.311 2.115 1.962 2.315 . 0 0 "[ . 1]" 1
1211 2 71 GLU H 2 71 GLU HB3 2.154 . 2.734 2.718 2.679 2.771 0.037 7 0 "[ . 1]" 1
1212 2 54 SER HA 2 55 ASP H 2.137 . 2.708 2.575 2.329 2.767 0.059 5 0 "[ . 1]" 1
1213 2 55 ASP H 2 55 ASP HB3 2.553 . 6.000 3.141 2.711 3.681 . 0 0 "[ . 1]" 1
1214 2 55 ASP H 2 55 ASP HB2 2.327 . 3.004 2.745 2.409 3.047 0.043 6 0 "[ . 1]" 1
1215 2 32 GLY H 2 75 VAL H 2.740 . 3.679 3.048 2.875 3.247 . 0 0 "[ . 1]" 1
1216 2 75 VAL H 2 75 VAL HA 2.336 . 3.018 2.939 2.934 2.948 . 0 0 "[ . 1]" 1
1217 2 74 ARG QG 2 75 VAL H 2.632 . 3.498 3.266 3.050 3.416 . 0 0 "[ . 1]" 1
1218 2 75 VAL H 2 75 VAL MG2 2.188 . 2.787 2.195 2.150 2.246 . 0 0 "[ . 1]" 1
1219 2 43 LYS QG 2 44 ARG H 2.882 . 3.920 2.432 1.780 3.253 0.064 7 0 "[ . 1]" 1
1220 2 70 PHE H 2 70 PHE QD 2.872 . 3.903 2.445 2.159 3.081 . 0 0 "[ . 1]" 1
1221 2 69 VAL HA 2 70 PHE H 2.319 . 2.991 2.683 2.623 2.737 . 0 0 "[ . 1]" 1
1222 2 70 PHE H 2 70 PHE HB2 2.632 . 3.498 2.449 2.324 2.572 . 0 0 "[ . 1]" 1
1223 2 69 VAL HB 2 70 PHE H 2.383 . 6.000 3.568 1.822 3.798 . 0 0 "[ . 1]" 1
1224 2 69 VAL MG1 2 70 PHE H 2.450 . 3.200 2.807 2.655 3.334 0.134 2 0 "[ . 1]" 1
1225 2 67 LEU HA 2 68 ASN H 2.302 . 2.965 2.359 2.197 2.488 . 0 0 "[ . 1]" 1
1226 2 68 ASN H 2 68 ASN QB 2.655 . 3.890 2.699 2.524 2.834 . 0 0 "[ . 1]" 1
1227 2 67 LEU MD2 2 68 ASN H 2.794 . 3.770 3.323 3.056 3.586 . 0 0 "[ . 1]" 1
1228 2 51 VAL H 2 52 ASP H 2.458 . 3.213 1.954 1.854 2.087 . 0 0 "[ . 1]" 1
1229 2 52 ASP H 2 52 ASP HA 2.602 . 3.448 2.911 2.871 2.946 . 0 0 "[ . 1]" 1
1230 2 51 VAL HA 2 52 ASP H 2.687 . 3.590 3.391 3.323 3.502 . 0 0 "[ . 1]" 1
1231 2 52 ASP H 2 52 ASP HB3 2.756 . 3.705 2.877 2.204 3.728 0.023 2 0 "[ . 1]" 1
1232 2 52 ASP H 2 52 ASP HB2 2.634 . 3.501 2.901 2.419 3.626 0.125 9 0 "[ . 1]" 1
1233 2 50 PRO HB2 2 52 ASP H 2.604 . 6.000 3.694 3.215 4.327 . 0 0 "[ . 1]" 1
1234 2 51 VAL MG2 2 52 ASP H 2.616 . 3.472 2.562 2.160 2.756 . 0 0 "[ . 1]" 1
1235 2 77 ARG HG2 2 78 GLY H 2.839 . 3.846 3.504 3.367 3.702 . 0 0 "[ . 1]" 1
1236 2 78 GLY H 2 78 GLY HA2 2.680 . 3.578 2.349 2.321 2.398 . 0 0 "[ . 1]" 1
1237 2 77 ARG HA 2 78 GLY H 2.226 . 2.846 2.133 2.112 2.152 . 0 0 "[ . 1]" 1
1238 2 28 ALA MB 2 78 GLY H 2.509 . 3.296 3.331 3.279 3.362 0.066 1 0 "[ . 1]" 1
1239 2 50 PRO HA 2 51 VAL H 2.472 . 3.236 2.136 2.100 2.156 . 0 0 "[ . 1]" 1
1240 2 51 VAL H 2 51 VAL HA 2.658 . 3.541 2.947 2.937 2.956 . 0 0 "[ . 1]" 1
1241 2 50 PRO HB2 2 51 VAL H 2.819 . 3.812 3.552 3.327 3.708 . 0 0 "[ . 1]" 1
1242 2 51 VAL H 2 51 VAL MG2 2.297 . 2.956 2.044 1.978 2.173 . 0 0 "[ . 1]" 1
1243 2 58 GLU HA 2 59 GLU H 2.625 . 3.486 2.239 2.187 2.279 . 0 0 "[ . 1]" 1
1244 2 53 GLY HA3 2 54 SER H 2.815 . 3.805 2.804 2.462 3.487 . 0 0 "[ . 1]" 1
1245 2 53 GLY HA2 2 54 SER H 2.831 . 3.833 2.556 2.195 3.469 . 0 0 "[ . 1]" 1
1246 2 54 SER H 2 54 SER HA 2.529 . 3.328 2.838 2.260 2.938 . 0 0 "[ . 1]" 1
1247 2 54 SER H 2 54 SER HB3 2.595 . 6.000 3.336 2.833 4.037 . 0 0 "[ . 1]" 1
1248 2 50 PRO HB2 2 54 SER H 2.701 . 6.000 4.524 2.601 5.216 . 0 0 "[ . 1]" 1
1249 2 72 GLY H 2 72 GLY HA3 2.689 . 3.593 2.869 2.841 2.894 . 0 0 "[ . 1]" 1
1250 2 71 GLU HB2 2 72 GLY H 2.696 . 3.605 2.756 2.646 2.842 . 0 0 "[ . 1]" 1
1251 2 72 GLY H 2 72 GLY HA2 2.779 . 3.744 2.303 2.292 2.317 . 0 0 "[ . 1]" 1
1252 2 71 GLU HA 2 72 GLY H 2.348 . 3.037 2.234 2.198 2.276 . 0 0 "[ . 1]" 1
1253 2 35 SER HA 2 36 PHE H 2.506 . 3.291 2.441 2.375 2.526 . 0 0 "[ . 1]" 1
1254 2 35 SER HB3 2 36 PHE H 2.464 . 6.000 3.555 3.336 3.710 . 0 0 "[ . 1]" 1
1255 2 35 SER HB2 2 36 PHE H 2.648 . 3.525 2.409 2.267 2.522 . 0 0 "[ . 1]" 1
1256 2 36 PHE H 2 36 PHE HB3 2.873 . 3.905 3.785 3.729 3.827 . 0 0 "[ . 1]" 1
1257 2 36 PHE H 2 36 PHE HB2 2.744 . 3.685 2.665 2.567 2.730 . 0 0 "[ . 1]" 1
1258 2 36 PHE H 2 71 GLU HB3 2.885 . 3.926 2.404 2.156 2.618 . 0 0 "[ . 1]" 1
1259 2 83 ASP H 2 84 GLY H 2.399 . 6.000 4.508 4.440 4.549 . 0 0 "[ . 1]" 1
1260 2 83 ASP HA 2 84 GLY H 2.305 . 2.969 2.194 2.118 2.228 . 0 0 "[ . 1]" 1
1261 2 24 PRO HD3 2 84 GLY H 2.098 . 6.000 5.790 5.000 6.282 0.282 1 0 "[ . 1]" 1
1262 2 25 ALA MB 2 84 GLY H 2.811 . 3.799 3.339 3.021 3.822 0.023 9 0 "[ . 1]" 1
1263 2 30 ILE HA 2 31 SER H 2.342 . 3.027 2.388 2.291 2.482 . 0 0 "[ . 1]" 1
1264 2 31 SER H 2 31 SER QB 2.717 . 3.404 2.438 2.305 2.832 . 0 0 "[ . 1]" 1
1265 2 30 ILE HB 2 31 SER H 2.383 . 3.093 2.453 2.239 2.706 . 0 0 "[ . 1]" 1
1266 2 30 ILE MD 2 31 SER H 2.767 . 6.000 4.386 4.055 4.609 . 0 0 "[ . 1]" 1
1267 2 30 ILE MG 2 31 SER H 2.828 . 3.828 3.478 3.395 3.600 . 0 0 "[ . 1]" 1
1268 2 81 ILE H 2 82 SER H 2.602 . 3.448 2.134 2.095 2.179 . 0 0 "[ . 1]" 1
1269 2 82 SER H 2 82 SER HB3 2.837 . 3.843 3.061 2.891 3.183 . 0 0 "[ . 1]" 1
1270 2 81 ILE HB 2 82 SER H 2.741 . 3.680 2.400 2.304 2.467 . 0 0 "[ . 1]" 1
1271 2 26 ILE HB 2 82 SER H 2.827 . 3.826 3.086 2.337 3.792 . 0 0 "[ . 1]" 1
1272 2 64 TRP H 2 64 TRP HA 2.887 . 3.929 2.904 2.890 2.917 . 0 0 "[ . 1]" 1
1273 2 64 TRP H 2 64 TRP HB3 2.888 . 3.931 3.358 3.133 3.552 . 0 0 "[ . 1]" 1
1274 2 36 PHE HA 2 37 GLY H 2.375 . 3.080 2.217 2.117 2.339 . 0 0 "[ . 1]" 1
1275 2 37 GLY H 2 37 GLY HA2 2.811 . 3.799 2.945 2.930 2.956 . 0 0 "[ . 1]" 1
1276 2 37 GLY H 2 37 GLY HA3 2.571 . 3.397 2.501 2.405 2.610 . 0 0 "[ . 1]" 1
1277 2 37 GLY H 2 45 ARG QB 2.722 . 3.648 1.840 1.752 1.999 0.044 7 0 "[ . 1]" 1
1278 2 37 GLY H 2 47 VAL QG 2.614 . 3.468 3.149 2.669 3.517 0.049 1 0 "[ . 1]" 1
1279 2 31 SER HA 2 32 GLY H 2.340 . 3.024 2.140 2.091 2.247 . 0 0 "[ . 1]" 1
1280 2 31 SER QB 2 32 GLY H 2.673 . 3.566 3.493 3.336 3.592 0.026 7 0 "[ . 1]" 1
1281 2 32 GLY H 2 32 GLY HA2 2.627 . 3.490 2.686 2.607 2.741 . 0 0 "[ . 1]" 1
1282 2 32 GLY H 2 75 VAL MG2 2.386 . 6.000 2.908 2.589 3.131 . 0 0 "[ . 1]" 1
1283 2 32 GLY H 2 48 ILE MG 2.757 . 3.707 3.836 3.758 3.884 0.177 5 0 "[ . 1]" 1
1284 2 68 ASN H 2 69 VAL H 2.395 . 3.112 2.641 2.466 2.868 . 0 0 "[ . 1]" 1
1285 2 67 LEU HA 2 69 VAL H 2.794 . 6.000 4.543 4.141 4.710 . 0 0 "[ . 1]" 1
1286 2 67 LEU HB3 2 69 VAL H 2.491 . 6.000 3.114 2.640 3.618 . 0 0 "[ . 1]" 1
1287 2 69 VAL H 2 69 VAL MG1 2.130 . 2.697 2.772 2.673 3.398 0.701 2 1 "[ + . 1]" 1
1288 2 53 GLY H 2 53 GLY HA2 2.223 . 2.841 2.762 2.435 2.950 0.109 6 0 "[ . 1]" 1
1289 2 29 GLU H 2 30 ILE H 2.789 . 3.762 2.595 2.491 2.672 . 0 0 "[ . 1]" 1
1290 2 30 ILE H 2 30 ILE HA 2.821 . 3.816 2.926 2.914 2.937 . 0 0 "[ . 1]" 1
1291 2 30 ILE H 2 48 ILE MD 2.589 . 3.427 2.690 2.379 2.855 . 0 0 "[ . 1]" 1
1292 2 38 LYS H 2 45 ARG QD 3.099 . 4.299 2.954 2.662 3.298 . 0 0 "[ . 1]" 1
1293 2 38 LYS H 2 38 LYS QE 3.051 . 4.214 4.064 3.737 4.277 0.063 7 0 "[ . 1]" 1
1294 2 27 LEU HB2 2 28 ALA H 2.917 . 3.981 2.357 2.169 2.637 . 0 0 "[ . 1]" 1
1295 2 29 GLU HA 2 30 ILE H 2.925 . 3.994 3.430 3.335 3.475 . 0 0 "[ . 1]" 1
1296 2 30 ILE H 2 30 ILE HB 3.233 . 4.539 3.804 3.775 3.834 . 0 0 "[ . 1]" 1
1297 2 30 ILE H 2 48 ILE MG 3.070 . 4.248 3.223 2.794 3.510 . 0 0 "[ . 1]" 1
1298 2 50 PRO HB2 2 53 GLY H 3.098 . 4.298 3.619 2.653 4.360 0.062 5 0 "[ . 1]" 1
1299 2 69 VAL H 2 70 PHE H 3.207 . 4.492 4.335 4.316 4.352 . 0 0 "[ . 1]" 1
1300 2 69 VAL H 2 70 PHE QD 3.337 . 6.000 5.956 5.696 6.040 0.040 1 0 "[ . 1]" 1
1301 2 68 ASN QB 2 69 VAL H 3.190 . 4.132 3.135 2.279 3.389 . 0 0 "[ . 1]" 1
1302 2 36 PHE HB2 2 37 GLY H 2.970 . 4.073 3.932 3.720 4.147 0.074 3 0 "[ . 1]" 1
1303 2 36 PHE HB3 2 37 GLY H 2.919 . 3.984 2.895 2.494 3.199 . 0 0 "[ . 1]" 1
1304 2 64 TRP H 2 64 TRP HD1 2.964 . 4.063 2.937 2.728 3.252 . 0 0 "[ . 1]" 1
1305 2 63 LYS HA 2 64 TRP H 3.150 . 4.390 3.408 3.340 3.456 . 0 0 "[ . 1]" 1
1306 2 64 TRP H 2 64 TRP HB2 3.174 . 4.433 3.358 3.095 3.576 . 0 0 "[ . 1]" 1
1307 2 44 ARG HB3 2 64 TRP H 2.970 . 6.000 6.085 6.046 6.135 0.135 1 0 "[ . 1]" 1
1308 2 26 ILE H 2 82 SER H 2.964 . 6.000 4.038 3.413 4.681 . 0 0 "[ . 1]" 1
1309 2 82 SER H 2 82 SER HB2 2.911 . 3.970 3.361 3.287 3.438 . 0 0 "[ . 1]" 1
1310 2 31 SER H 2 77 ARG HB2 3.039 . 4.194 2.831 2.561 3.263 . 0 0 "[ . 1]" 1
1311 2 31 SER H 2 31 SER HA 2.983 . 4.096 2.907 2.889 2.927 . 0 0 "[ . 1]" 1
1312 2 82 SER HA 2 84 GLY H 3.170 . 6.000 6.119 6.046 6.170 0.170 8 0 "[ . 1]" 1
1313 2 27 LEU QD 2 84 GLY H 3.167 . 4.421 2.346 2.006 3.125 . 0 0 "[ . 1]" 1
1314 2 33 ILE MG 2 72 GLY H 2.939 . 4.019 3.020 2.790 3.269 . 0 0 "[ . 1]" 1
1315 2 34 VAL QG 2 72 GLY H 3.249 . 4.569 3.580 3.422 4.142 . 0 0 "[ . 1]" 1
1316 2 36 PHE H 2 36 PHE HA 2.958 . 4.052 2.938 2.931 2.942 . 0 0 "[ . 1]" 1
1317 2 36 PHE H 2 36 PHE QD 3.178 . 4.441 3.580 3.272 3.705 . 0 0 "[ . 1]" 1
1318 2 58 GLU QB 2 59 GLU H 2.948 . 4.034 2.914 2.750 3.154 . 0 0 "[ . 1]" 1
1319 2 32 GLY HA2 2 51 VAL H 3.154 . 4.398 2.748 2.427 3.275 . 0 0 "[ . 1]" 1
1320 2 40 THR H 2 40 THR HB 2.917 . 3.981 3.197 2.478 3.645 . 0 0 "[ . 1]" 1
1321 2 67 LEU HB2 2 68 ASN H 3.063 . 4.236 3.709 3.384 4.094 . 0 0 "[ . 1]" 1
1322 2 74 ARG HB3 2 75 VAL H 2.994 . 6.000 4.350 4.266 4.394 . 0 0 "[ . 1]" 1
1323 2 74 ARG HB2 2 75 VAL H 3.000 . 4.125 4.180 4.136 4.219 0.094 8 0 "[ . 1]" 1
1324 2 75 VAL H 2 75 VAL HB 3.263 . 4.594 3.838 3.820 3.861 . 0 0 "[ . 1]" 1
1325 2 48 ILE MG 2 75 VAL H 3.146 . 6.000 4.868 4.662 4.990 . 0 0 "[ . 1]" 1
1326 2 70 PHE H 2 70 PHE HB3 2.893 . 3.939 3.595 3.574 3.605 . 0 0 "[ . 1]" 1
1327 2 70 PHE H 2 73 GLU HB2 2.818 . 6.000 3.957 3.813 4.248 . 0 0 "[ . 1]" 1
1328 2 33 ILE H 2 51 VAL MG1 3.059 . 4.229 2.721 2.531 2.977 . 0 0 "[ . 1]" 1
1329 2 33 ILE H 2 49 THR HB 2.900 . 3.951 2.696 2.516 3.088 . 0 0 "[ . 1]" 1
1330 2 79 ASP QB 2 80 VAL H 2.924 . 3.993 3.663 3.427 3.944 . 0 0 "[ . 1]" 1
1331 2 26 ILE H 2 82 SER HB2 3.122 . 6.000 4.454 4.228 5.273 . 0 0 "[ . 1]" 1
1332 2 79 ASP H 2 79 ASP HA 2.833 . 3.836 2.902 2.877 2.919 . 0 0 "[ . 1]" 1
1333 2 75 VAL HB 2 79 ASP H 3.042 . 6.000 5.556 5.022 5.818 . 0 0 "[ . 1]" 1
1334 2 34 VAL QG 2 73 GLU H 3.020 . 6.000 2.899 2.672 3.838 . 0 0 "[ . 1]" 1
1335 2 72 GLY HA2 2 73 GLU H 3.011 . 4.144 2.987 2.916 3.148 . 0 0 "[ . 1]" 1
1336 2 34 VAL H 2 73 GLU H 3.097 . 4.296 3.467 3.242 3.652 . 0 0 "[ . 1]" 1
1337 2 73 GLU H 2 74 ARG H 3.182 . 4.448 4.472 4.408 4.506 0.058 2 0 "[ . 1]" 1
1338 2 76 GLU HB2 2 77 ARG H 3.064 . 4.237 3.983 3.871 4.127 . 0 0 "[ . 1]" 1
1339 2 31 SER HA 2 77 ARG H 2.919 . 3.984 2.953 2.500 3.341 . 0 0 "[ . 1]" 1
1340 2 30 ILE HA 2 77 ARG H 3.107 . 4.314 4.337 4.217 4.405 0.091 1 0 "[ . 1]" 1
1341 2 31 SER QB 2 77 ARG H 3.175 . 4.435 1.864 1.681 2.154 0.234 8 0 "[ . 1]" 1
1342 2 63 LYS H 2 63 LYS HA 2.910 . 3.968 2.857 2.840 2.886 . 0 0 "[ . 1]" 1
1343 2 63 LYS H 2 64 TRP H 3.018 . 4.157 2.452 2.303 2.519 . 0 0 "[ . 1]" 1
1344 2 74 ARG H 2 74 ARG QG 2.701 . 6.000 3.926 3.908 3.967 . 0 0 "[ . 1]" 1
1345 2 28 ALA MB 2 76 GLU H 3.060 . 6.000 4.194 3.788 4.589 . 0 0 "[ . 1]" 1
1346 2 76 GLU H 2 79 ASP QB 2.924 . 3.993 3.752 3.331 3.886 . 0 0 "[ . 1]" 1
1347 2 56 PRO HB2 2 57 TYR H 3.037 . 4.190 3.834 3.449 4.125 . 0 0 "[ . 1]" 1
1348 2 56 PRO HB3 2 57 TYR H 3.061 . 4.232 3.530 3.249 3.795 . 0 0 "[ . 1]" 1
1349 2 50 PRO QG 2 57 TYR H 3.300 . 4.661 3.875 3.656 4.121 . 0 0 "[ . 1]" 1
1350 2 33 ILE HB 2 49 THR H 3.155 . 4.400 3.680 3.446 3.909 . 0 0 "[ . 1]" 1
1351 2 48 ILE H 2 57 TYR H 3.379 . 4.807 4.142 3.851 4.317 . 0 0 "[ . 1]" 1
1352 2 66 GLN H 2 66 GLN QG 2.897 . 6.000 3.051 1.806 4.020 0.042 1 0 "[ . 1]" 1
1353 2 39 GLU H 2 39 GLU HA 2.698 . 3.608 2.929 2.918 2.945 . 0 0 "[ . 1]" 1
1354 2 29 GLU H 2 29 GLU QG 3.014 . 4.149 4.030 3.949 4.062 . 0 0 "[ . 1]" 1
1355 2 66 GLN QB 2 67 LEU H 3.032 . 4.181 3.670 3.285 3.919 . 0 0 "[ . 1]" 1
1356 2 67 LEU H 2 67 LEU HB2 2.924 . 3.993 2.395 2.312 2.530 . 0 0 "[ . 1]" 1
1357 2 36 PHE HA 2 47 VAL H 3.165 . 4.417 3.007 2.868 3.223 . 0 0 "[ . 1]" 1
1358 2 35 SER H 2 47 VAL H 2.949 . 4.036 3.403 3.217 3.631 . 0 0 "[ . 1]" 1
1359 2 27 LEU HA 2 81 ILE H 2.910 . 3.969 3.393 3.160 3.652 . 0 0 "[ . 1]" 1
1360 2 81 ILE H 2 81 ILE HG13 3.060 . 4.230 4.257 4.177 4.316 0.086 4 0 "[ . 1]" 1
1361 2 82 SER HB3 2 83 ASP H 2.998 . 4.122 4.133 3.929 4.233 0.111 9 0 "[ . 1]" 1
1362 2 48 ILE H 2 48 ILE HB 3.047 . 4.208 2.658 2.633 2.719 . 0 0 "[ . 1]" 1
1363 2 48 ILE H 2 58 GLU HA 3.173 . 4.431 3.182 3.060 3.300 . 0 0 "[ . 1]" 1
1364 2 26 ILE H 2 82 SER HB3 3.327 . 4.711 2.778 2.508 3.625 . 0 0 "[ . 1]" 1
1365 1 56 LEU MD2 2 58 GLU QG 3.500 . 6.000 5.294 4.000 6.221 0.221 7 0 "[ . 1]" 1
1366 1 60 LEU HG 2 38 LYS HE3 3.500 . 7.000 4.448 3.306 5.733 . 0 0 "[ . 1]" 1
1367 1 61 GLU HB3 2 38 LYS HE3 3.500 . 7.000 4.851 3.579 6.135 . 0 0 "[ . 1]" 1
1368 1 77 VAL QG 2 58 GLU HB2 3.500 . 7.000 6.413 5.934 6.747 . 0 0 "[ . 1]" 1
1369 1 36 PHE QE 1 56 LEU MD1 3.500 . 5.000 2.225 1.821 2.726 . 0 0 "[ . 1]" 1
1370 1 36 PHE QE 1 56 LEU MD2 3.500 . 5.000 2.762 1.856 3.816 . 0 0 "[ . 1]" 1
1371 1 40 VAL MG2 1 72 PHE HB2 3.500 . 5.000 4.605 4.211 4.991 . 0 0 "[ . 1]" 1
1372 1 42 SER HA 1 73 GLU HB3 3.500 . 5.000 4.551 3.707 5.033 0.033 5 0 "[ . 1]" 1
1373 1 42 SER QB 1 72 PHE QD 3.500 . 5.000 3.832 2.434 4.672 . 0 0 "[ . 1]" 1
1374 2 47 VAL MG2 2 58 GLU HA 3.500 . 5.000 5.121 3.854 5.402 0.402 1 0 "[ . 1]" 1
1375 2 38 LYS HD3 2 39 GLU H 3.500 . 5.000 4.731 4.320 5.067 0.067 8 0 "[ . 1]" 1
1376 2 43 LYS HE3 2 62 PRO HA 3.500 . 5.000 4.524 3.831 5.078 0.078 2 0 "[ . 1]" 1
1377 2 28 ALA MB 2 48 ILE MG 3.500 . 5.000 2.675 2.428 2.944 . 0 0 "[ . 1]" 1
1378 2 43 LYS QB 2 60 MET QG 3.500 . 5.000 3.412 2.822 3.702 . 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 54
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 33.745
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0337
_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 37 TRP 0.231 0.106 3 0 "[ . 1]"
1 38 ALA 0.064 0.021 7 0 "[ . 1]"
1 39 THR 0.307 0.079 7 0 "[ . 1]"
1 40 VAL 0.069 0.025 4 0 "[ . 1]"
1 47 PHE 0.069 0.025 4 0 "[ . 1]"
1 49 VAL 0.064 0.021 7 0 "[ . 1]"
1 56 LEU 0.120 0.046 9 0 "[ . 1]"
1 57 ASP 0.005 0.005 6 0 "[ . 1]"
1 58 GLU 0.012 0.010 2 0 "[ . 1]"
1 59 ALA 0.087 0.038 7 0 "[ . 1]"
1 60 LEU 0.120 0.046 9 0 "[ . 1]"
1 61 GLU 0.107 0.039 5 0 "[ . 1]"
1 62 LEU 0.012 0.010 2 0 "[ . 1]"
1 63 ALA 0.087 0.038 7 0 "[ . 1]"
1 65 TRP 0.102 0.039 5 0 "[ . 1]"
1 75 THR 0.209 0.079 7 0 "[ . 1]"
1 76 ARG 0.099 0.033 8 0 "[ . 1]"
1 78 ARG 0.231 0.106 3 0 "[ . 1]"
2 32 GLY 0.050 0.031 4 0 "[ . 1]"
2 33 ILE 0.260 0.042 1 0 "[ . 1]"
2 34 VAL 0.101 0.053 10 0 "[ . 1]"
2 35 SER 0.126 0.126 2 0 "[ . 1]"
2 37 GLY 1.174 0.148 9 0 "[ . 1]"
2 44 ARG 0.532 0.089 6 0 "[ . 1]"
2 45 ARG 1.174 0.148 9 0 "[ . 1]"
2 46 LEU 0.000 0.000 . 0 "[ . 1]"
2 47 VAL 0.126 0.126 2 0 "[ . 1]"
2 48 ILE 0.134 0.052 7 0 "[ . 1]"
2 49 THR 0.260 0.042 1 0 "[ . 1]"
2 57 TYR 0.134 0.052 7 0 "[ . 1]"
2 59 GLU 0.000 0.000 . 0 "[ . 1]"
2 61 ILE 0.532 0.089 6 0 "[ . 1]"
2 72 GLY 0.022 0.016 5 0 "[ . 1]"
2 73 GLU 0.079 0.053 10 0 "[ . 1]"
2 75 VAL 0.050 0.031 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 57 ASP O 1 61 GLU H 2.300 . 2.500 2.175 1.844 2.505 0.005 6 0 "[ . 1]" 2
2 1 57 ASP O 1 61 GLU N 3.300 2.500 3.500 3.090 2.776 3.436 . 0 0 "[ . 1]" 2
3 1 58 GLU O 1 62 LEU H 2.300 . 2.500 2.010 1.790 2.390 0.010 2 0 "[ . 1]" 2
4 1 58 GLU O 1 62 LEU N 3.300 2.500 3.500 2.964 2.713 3.317 . 0 0 "[ . 1]" 2
5 1 59 ALA O 1 63 ALA H 2.300 . 2.500 1.815 1.762 1.917 0.038 7 0 "[ . 1]" 2
6 1 59 ALA O 1 63 ALA N 3.300 2.500 3.500 2.760 2.690 2.859 . 0 0 "[ . 1]" 2
7 1 56 LEU O 1 60 LEU H 2.300 . 2.500 1.862 1.754 2.089 0.046 9 0 "[ . 1]" 2
8 1 56 LEU O 1 60 LEU N 3.300 2.500 3.500 2.806 2.670 3.025 . 0 0 "[ . 1]" 2
9 1 61 GLU O 1 65 TRP H 2.300 . 2.500 1.848 1.761 2.175 0.039 5 0 "[ . 1]" 2
10 1 61 GLU O 1 65 TRP N 3.300 2.500 3.500 2.773 2.708 3.035 . 0 0 "[ . 1]" 2
11 1 40 VAL H 1 47 PHE O 2.300 . 2.500 1.812 1.775 1.886 0.025 4 0 "[ . 1]" 2
12 1 40 VAL N 1 47 PHE O 3.300 2.500 3.500 2.728 2.682 2.808 . 0 0 "[ . 1]" 2
13 1 38 ALA O 1 49 VAL H 2.300 . 2.500 1.834 1.779 1.948 0.021 7 0 "[ . 1]" 2
14 1 38 ALA O 1 49 VAL N 3.300 2.500 3.500 2.809 2.759 2.902 . 0 0 "[ . 1]" 2
15 1 37 TRP H 1 78 ARG O 2.300 . 2.500 2.192 1.986 2.534 0.034 7 0 "[ . 1]" 2
16 1 37 TRP N 1 78 ARG O 3.300 2.500 3.500 3.126 2.963 3.453 . 0 0 "[ . 1]" 2
17 1 37 TRP O 1 78 ARG H 2.300 . 2.500 1.829 1.694 1.952 0.106 3 0 "[ . 1]" 2
18 1 37 TRP O 1 78 ARG N 3.300 2.500 3.500 2.767 2.669 2.882 . 0 0 "[ . 1]" 2
19 1 38 ALA H 1 49 VAL O 2.300 . 2.500 1.923 1.838 2.128 . 0 0 "[ . 1]" 2
20 1 38 ALA N 1 49 VAL O 3.300 2.500 3.500 2.853 2.767 3.021 . 0 0 "[ . 1]" 2
21 1 39 THR H 1 76 ARG O 2.300 . 2.500 1.946 1.795 2.243 0.005 5 0 "[ . 1]" 2
22 1 39 THR N 1 76 ARG O 3.300 2.500 3.500 2.771 2.639 2.920 . 0 0 "[ . 1]" 2
23 1 39 THR O 1 76 ARG H 2.300 . 2.500 2.345 1.844 2.533 0.033 8 0 "[ . 1]" 2
24 1 39 THR O 1 76 ARG N 3.300 2.500 3.500 3.278 2.801 3.493 . 0 0 "[ . 1]" 2
25 1 39 THR O 1 75 THR H 2.300 . 2.500 1.809 1.721 1.938 0.079 7 0 "[ . 1]" 2
26 1 39 THR O 1 75 THR N 3.300 2.500 3.500 2.736 2.656 2.882 . 0 0 "[ . 1]" 2
27 2 33 ILE H 2 49 THR O 2.300 . 2.500 1.874 1.760 2.148 0.040 7 0 "[ . 1]" 2
28 2 33 ILE N 2 49 THR O 3.300 2.500 3.500 2.771 2.677 2.953 . 0 0 "[ . 1]" 2
29 2 33 ILE O 2 49 THR H 2.300 . 2.500 1.797 1.758 1.885 0.042 1 0 "[ . 1]" 2
30 2 33 ILE O 2 49 THR N 3.300 2.500 3.500 2.725 2.672 2.763 . 0 0 "[ . 1]" 2
31 2 34 VAL H 2 73 GLU O 2.300 . 2.500 2.025 1.916 2.127 . 0 0 "[ . 1]" 2
32 2 34 VAL N 2 73 GLU O 3.300 2.500 3.500 2.882 2.756 2.975 . 0 0 "[ . 1]" 2
33 2 34 VAL O 2 73 GLU H 2.300 . 2.500 2.389 2.250 2.553 0.053 10 0 "[ . 1]" 2
34 2 34 VAL O 2 73 GLU N 3.300 2.500 3.500 3.315 3.196 3.459 . 0 0 "[ . 1]" 2
35 2 48 ILE H 2 57 TYR O 2.300 . 2.500 2.361 2.116 2.552 0.052 7 0 "[ . 1]" 2
36 2 48 ILE N 2 57 TYR O 3.300 2.500 3.500 3.310 3.060 3.506 0.006 7 0 "[ . 1]" 2
37 2 46 LEU O 2 59 GLU H 2.300 . 2.500 1.932 1.815 2.042 . 0 0 "[ . 1]" 2
38 2 46 LEU O 2 59 GLU N 3.300 2.500 3.500 2.888 2.781 2.968 . 0 0 "[ . 1]" 2
39 2 34 VAL O 2 72 GLY H 2.300 . 2.500 1.858 1.784 1.949 0.016 5 0 "[ . 1]" 2
40 2 34 VAL O 2 72 GLY N 3.300 2.500 3.500 2.618 2.539 2.660 . 0 0 "[ . 1]" 2
41 2 32 GLY O 2 75 VAL H 2.300 . 2.500 1.849 1.769 1.962 0.031 4 0 "[ . 1]" 2
42 2 32 GLY O 2 75 VAL N 3.300 2.500 3.500 2.829 2.747 2.935 . 0 0 "[ . 1]" 2
43 2 35 SER H 2 47 VAL O 2.300 . 2.500 1.878 1.674 1.972 0.126 2 0 "[ . 1]" 2
44 2 35 SER N 2 47 VAL O 3.300 2.500 3.500 2.794 2.637 2.874 . 0 0 "[ . 1]" 2
45 2 37 GLY O 2 45 ARG H 2.300 . 2.500 2.607 2.579 2.648 0.148 9 0 "[ . 1]" 2
46 2 37 GLY O 2 45 ARG N 3.300 2.500 3.500 3.509 3.485 3.538 0.038 3 0 "[ . 1]" 2
47 2 46 LEU H 2 59 GLU O 2.300 . 2.500 2.098 1.928 2.320 . 0 0 "[ . 1]" 2
48 2 46 LEU N 2 59 GLU O 3.300 2.500 3.500 2.894 2.766 3.133 . 0 0 "[ . 1]" 2
49 2 44 ARG H 2 61 ILE O 2.300 . 2.500 2.229 1.792 2.588 0.088 2 0 "[ . 1]" 2
50 2 44 ARG N 2 61 ILE O 3.300 2.500 3.500 2.832 2.733 3.004 . 0 0 "[ . 1]" 2
51 2 44 ARG O 2 61 ILE H 2.300 . 2.500 2.454 1.924 2.589 0.089 6 0 "[ . 1]" 2
52 2 44 ARG O 2 61 ILE N 3.300 2.500 3.500 3.102 2.725 3.284 . 0 0 "[ . 1]" 2
53 2 37 GLY H 2 45 ARG O 2.300 . 2.500 2.006 1.805 2.246 . 0 0 "[ . 1]" 2
54 2 37 GLY N 2 45 ARG O 3.300 2.500 3.500 2.857 2.751 3.003 . 0 0 "[ . 1]" 2
stop_
save_
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