NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
491183 |
2rqx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rqx
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 903
_Distance_constraint_stats_list.Viol_count 563
_Distance_constraint_stats_list.Viol_total 296.232
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0263
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.089 0.011 3 0 "[ . 1 . 2]"
1 2 GLU 0.040 0.011 11 0 "[ . 1 . 2]"
1 3 TRP 0.011 0.011 16 0 "[ . 1 . 2]"
1 4 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 3.795 0.167 3 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.018 0.011 16 0 "[ . 1 . 2]"
1 8 VAL 0.030 0.014 17 0 "[ . 1 . 2]"
1 9 GLN 0.458 0.039 16 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.162 0.061 14 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.205 0.044 17 0 "[ . 1 . 2]"
1 16 LEU 0.199 0.061 14 0 "[ . 1 . 2]"
1 17 CYS 1.274 0.087 19 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.663 0.057 13 0 "[ . 1 . 2]"
1 20 VAL 0.507 0.039 16 0 "[ . 1 . 2]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 1.094 0.092 2 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.154 0.014 12 0 "[ . 1 . 2]"
1 26 LEU 0.714 0.051 3 0 "[ . 1 . 2]"
1 27 GLU 0.765 0.092 2 0 "[ . 1 . 2]"
1 28 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.037 0.014 12 0 "[ . 1 . 2]"
1 30 ALA 0.663 0.057 13 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 1.237 0.087 19 0 "[ . 1 . 2]"
1 33 GLU 0.819 0.067 7 0 "[ . 1 . 2]"
1 34 ALA 0.119 0.020 3 0 "[ . 1 . 2]"
1 35 CYS 0.006 0.006 14 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.005 0.005 9 0 "[ . 1 . 2]"
1 39 LEU 0.733 0.057 6 0 "[ . 1 . 2]"
1 40 ARG 0.515 0.057 6 0 "[ . 1 . 2]"
1 41 GLU 0.120 0.015 6 0 "[ . 1 . 2]"
1 42 GLY 0.099 0.056 2 0 "[ . 1 . 2]"
1 43 ASP 2.029 0.167 3 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.073 0.015 7 0 "[ . 1 . 2]"
1 46 THR 0.614 0.060 19 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.173 0.026 5 0 "[ . 1 . 2]"
1 49 ALA 0.028 0.011 10 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.203 0.066 19 0 "[ . 1 . 2]"
1 52 ARG 0.503 0.080 19 0 "[ . 1 . 2]"
1 53 TYR 0.262 0.038 17 0 "[ . 1 . 2]"
1 54 CYS 0.140 0.043 19 0 "[ . 1 . 2]"
1 55 LEU 0.118 0.018 9 0 "[ . 1 . 2]"
1 56 ASN 0.391 0.036 20 0 "[ . 1 . 2]"
1 57 ASN 0.391 0.036 20 0 "[ . 1 . 2]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.070 0.018 9 0 "[ . 1 . 2]"
1 60 THR 1.443 0.074 14 0 "[ . 1 . 2]"
1 61 GLN 0.196 0.027 12 0 "[ . 1 . 2]"
1 62 THR 0.016 0.007 10 0 "[ . 1 . 2]"
1 63 LEU 0.682 0.087 1 0 "[ . 1 . 2]"
1 64 LYS 0.690 0.067 7 0 "[ . 1 . 2]"
1 65 ILE 0.287 0.039 10 0 "[ . 1 . 2]"
1 66 ARG 0.038 0.009 9 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.037 0.014 12 0 "[ . 1 . 2]"
1 70 HIS 0.050 0.020 2 0 "[ . 1 . 2]"
1 71 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.006 0.006 11 0 "[ . 1 . 2]"
1 75 ARG 0.040 0.033 10 0 "[ . 1 . 2]"
1 76 TRP 0.125 0.012 17 0 "[ . 1 . 2]"
1 77 THR 0.503 0.029 17 0 "[ . 1 . 2]"
1 78 ASN 0.389 0.025 12 0 "[ . 1 . 2]"
1 79 ALA 0.424 0.025 12 0 "[ . 1 . 2]"
1 80 ASP 0.090 0.012 17 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU HA 1 46 THR HA 2.000 . 5.500 2.371 2.333 2.499 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 46 THR HB 2.000 . 5.500 3.926 3.350 4.336 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU HA 1 45 LEU QB 2.000 . 5.500 4.636 4.453 4.794 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU H 1 2 GLU QB 2.000 . 3.600 2.570 2.270 3.235 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU H 1 2 GLU QG 2.000 . 5.000 2.527 1.789 4.193 0.011 11 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 2 GLU H 2.000 . 2.600 2.539 2.419 2.610 0.010 3 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 2 GLU H 2.000 . 5.000 2.533 2.108 4.009 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QG 1 2 GLU H 2.000 . 5.000 3.869 3.135 4.478 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU QB 1 3 TRP H 2.000 . 5.000 3.233 2.451 3.825 . 0 0 "[ . 1 . 2]" 1
10 1 3 TRP H 1 46 THR HA 2.000 . 5.500 3.581 3.331 3.837 . 0 0 "[ . 1 . 2]" 1
11 1 3 TRP H 1 45 LEU H 2.000 . 5.000 3.279 2.938 3.477 . 0 0 "[ . 1 . 2]" 1
12 1 3 TRP H 1 45 LEU HA 2.000 . 5.500 4.824 4.697 4.966 . 0 0 "[ . 1 . 2]" 1
13 1 3 TRP H 1 45 LEU QB 2.000 . 5.000 3.156 3.029 3.368 . 0 0 "[ . 1 . 2]" 1
14 1 3 TRP H 1 45 LEU QD 2.000 . 6.000 4.496 4.437 4.536 . 0 0 "[ . 1 . 2]" 1
15 1 3 TRP H 1 45 LEU HG 2.000 . 5.500 4.712 4.519 5.511 0.011 16 0 "[ . 1 . 2]" 1
16 1 3 TRP H 1 3 TRP QB 2.000 . 3.600 2.527 2.411 2.827 . 0 0 "[ . 1 . 2]" 1
17 1 3 TRP H 1 3 TRP HD1 2.000 . 3.560 2.015 1.812 2.715 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU HA 1 3 TRP H 2.000 . 2.600 2.216 2.189 2.436 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU QG 1 3 TRP H 2.000 . 5.000 4.001 2.842 4.340 . 0 0 "[ . 1 . 2]" 1
20 1 4 TRP H 1 22 GLN QB 2.000 . 5.000 3.867 3.669 4.127 . 0 0 "[ . 1 . 2]" 1
21 1 4 TRP H 1 21 LEU QD 2.000 . 6.000 4.271 4.138 4.328 . 0 0 "[ . 1 . 2]" 1
22 1 4 TRP H 1 21 LEU QB 2.000 . 5.500 3.917 3.813 3.973 . 0 0 "[ . 1 . 2]" 1
23 1 4 TRP H 1 21 LEU HA 2.000 . 5.000 4.132 3.999 4.391 . 0 0 "[ . 1 . 2]" 1
24 1 4 TRP H 1 22 GLN HA 2.000 . 5.500 5.100 4.983 5.202 . 0 0 "[ . 1 . 2]" 1
25 1 4 TRP H 1 22 GLN H 2.000 . 5.000 3.049 2.734 3.252 . 0 0 "[ . 1 . 2]" 1
26 1 4 TRP HA 1 44 LYS HA 2.000 . 5.000 3.083 2.936 3.226 . 0 0 "[ . 1 . 2]" 1
27 1 4 TRP H 1 4 TRP QB 2.000 . 3.600 2.713 2.476 2.830 . 0 0 "[ . 1 . 2]" 1
28 1 3 TRP QB 1 4 TRP H 2.000 . 5.000 2.238 2.117 2.543 . 0 0 "[ . 1 . 2]" 1
29 1 3 TRP HA 1 4 TRP H 2.000 . 3.600 2.560 2.389 2.609 . 0 0 "[ . 1 . 2]" 1
30 1 3 TRP HE3 1 4 TRP H 2.000 . 5.000 3.939 3.719 4.143 . 0 0 "[ . 1 . 2]" 1
31 1 4 TRP HA 1 5 VAL MG1 2.000 . 5.000 3.719 3.509 3.881 . 0 0 "[ . 1 . 2]" 1
32 1 4 TRP HA 1 5 VAL MG2 2.000 . 5.500 3.669 3.547 3.920 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL H 1 44 LYS HA 2.000 . 5.500 4.258 3.915 4.474 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL H 1 43 ASP QB 2.000 . 6.000 3.530 3.100 4.009 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL H 1 41 GLU HA 2.000 . 5.500 5.387 5.214 5.515 0.015 6 0 "[ . 1 . 2]" 1
36 1 5 VAL H 1 43 ASP H 2.000 . 5.000 3.443 3.187 3.655 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL H 1 45 LEU H 2.000 . 4.500 4.471 4.242 4.515 0.015 7 0 "[ . 1 . 2]" 1
38 1 5 VAL H 1 45 LEU HG 2.000 . 5.000 3.767 3.511 4.992 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL H 1 45 LEU QD 2.000 . 6.000 3.696 3.027 4.248 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL H 1 21 LEU QD 2.000 . 6.500 4.194 3.965 4.297 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL HA 1 21 LEU HA 2.000 . 5.000 2.493 2.410 2.620 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL HA 1 21 LEU HG 2.000 . 5.500 5.129 4.935 5.253 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL HA 1 21 LEU QB 2.000 . 5.500 4.316 4.094 4.461 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL HB 1 41 GLU HA 2.000 . 5.500 3.993 3.498 4.567 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL QG 1 21 LEU HA 2.000 . 6.000 3.412 3.297 3.697 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL QG 1 21 LEU QD 2.000 . 6.500 2.108 1.986 2.280 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL QG 1 43 ASP QB 2.000 . 6.500 1.935 1.820 2.016 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL QG 1 41 GLU HA 2.000 . 6.000 2.263 2.197 2.312 . 0 0 "[ . 1 . 2]" 1
49 1 5 VAL QG 1 6 LYS HA 2.000 . 6.000 3.977 3.896 4.072 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL QG 1 8 VAL HB 2.000 . 6.500 3.794 3.555 3.997 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL H 1 5 VAL HB 2.000 . 3.600 3.626 3.614 3.637 0.037 6 0 "[ . 1 . 2]" 1
52 1 5 VAL H 1 5 VAL QG 2.000 . 5.000 1.746 1.719 1.820 0.081 11 0 "[ . 1 . 2]" 1
53 1 4 TRP HA 1 5 VAL H 2.000 . 3.600 2.198 2.187 2.209 . 0 0 "[ . 1 . 2]" 1
54 1 4 TRP QB 1 5 VAL H 2.000 . 5.000 3.330 3.160 3.463 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS H 1 21 LEU HA 2.000 . 5.500 3.555 3.223 3.980 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS H 1 20 VAL HA 2.000 . 5.500 4.935 4.793 5.155 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS H 1 20 VAL QG 2.000 . 6.000 3.606 3.409 3.819 . 0 0 "[ . 1 . 2]" 1
58 1 6 LYS H 1 6 LYS QB 2.000 . 5.500 2.398 2.355 2.514 . 0 0 "[ . 1 . 2]" 1
59 1 6 LYS H 1 6 LYS QG 2.000 . 5.500 4.045 4.023 4.095 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL QG 1 6 LYS H 2.000 . 5.500 3.492 3.399 3.569 . 0 0 "[ . 1 . 2]" 1
61 1 5 VAL HA 1 6 LYS H 2.000 . 3.600 2.219 2.191 2.264 . 0 0 "[ . 1 . 2]" 1
62 1 6 LYS H 1 7 LYS H 2.000 . 5.000 2.103 1.833 2.286 . 0 0 "[ . 1 . 2]" 1
63 1 7 LYS H 1 19 VAL HA 2.000 . 5.500 4.717 4.502 4.869 . 0 0 "[ . 1 . 2]" 1
64 1 7 LYS H 1 19 VAL HB 2.000 . 5.800 5.228 4.912 5.444 . 0 0 "[ . 1 . 2]" 1
65 1 7 LYS H 1 20 VAL H 2.000 . 3.600 2.974 2.796 3.108 . 0 0 "[ . 1 . 2]" 1
66 1 7 LYS H 1 20 VAL QG 2.000 . 5.500 3.196 3.015 3.343 . 0 0 "[ . 1 . 2]" 1
67 1 7 LYS H 1 20 VAL HB 2.000 . 5.500 2.373 2.126 2.667 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL HA 1 7 LYS H 2.000 . 5.000 3.890 3.758 4.049 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL QG 1 7 LYS H 2.000 . 5.500 3.989 3.741 4.173 . 0 0 "[ . 1 . 2]" 1
70 1 7 LYS H 1 41 GLU QG 2.000 . 6.000 4.545 4.023 4.806 . 0 0 "[ . 1 . 2]" 1
71 1 7 LYS QB 1 20 VAL HA 2.000 . 6.000 5.141 5.049 5.241 . 0 0 "[ . 1 . 2]" 1
72 1 7 LYS QB 1 20 VAL QG 2.000 . 6.000 2.191 2.068 2.315 . 0 0 "[ . 1 . 2]" 1
73 1 7 LYS H 1 7 LYS QB 2.000 . 5.000 2.767 2.633 2.817 . 0 0 "[ . 1 . 2]" 1
74 1 7 LYS H 1 7 LYS QG 2.000 . 5.800 3.806 3.240 4.210 . 0 0 "[ . 1 . 2]" 1
75 1 7 LYS H 1 7 LYS QD 2.000 . 5.500 4.823 4.367 4.981 . 0 0 "[ . 1 . 2]" 1
76 1 7 LYS H 1 8 VAL H 2.000 . 5.500 4.414 4.392 4.452 . 0 0 "[ . 1 . 2]" 1
77 1 7 LYS H 1 8 VAL HA 2.000 . 5.000 4.800 4.755 4.857 . 0 0 "[ . 1 . 2]" 1
78 1 6 LYS HA 1 7 LYS H 2.000 . 5.000 3.520 3.478 3.558 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS QB 1 7 LYS H 2.000 . 5.000 2.697 2.495 2.870 . 0 0 "[ . 1 . 2]" 1
80 1 6 LYS QG 1 7 LYS H 2.000 . 5.500 3.922 3.718 4.461 . 0 0 "[ . 1 . 2]" 1
81 1 6 LYS QD 1 7 LYS H 2.000 . 5.800 4.675 3.706 4.896 . 0 0 "[ . 1 . 2]" 1
82 1 8 VAL H 1 19 VAL HA 2.000 . 5.000 4.924 4.842 4.969 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL H 1 41 GLU QG 2.000 . 6.000 3.937 3.261 4.375 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL HB 1 19 VAL QG 2.000 . 6.000 2.881 2.437 3.148 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL QG 1 18 ARG HA 2.000 . 7.500 4.937 4.915 4.966 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL QG 1 18 ARG H 2.000 . 6.500 3.762 3.676 3.952 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL H 1 8 VAL HB 2.000 . 3.600 3.544 3.508 3.594 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL H 1 8 VAL QG 2.000 . 5.000 2.369 2.305 2.408 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS QB 1 8 VAL H 2.000 . 3.600 2.899 2.406 3.281 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS QG 1 8 VAL H 2.000 . 5.000 2.740 1.850 4.169 . 0 0 "[ . 1 . 2]" 1
91 1 7 LYS QE 1 8 VAL H 2.000 . 6.500 4.566 3.654 5.738 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS HA 1 8 VAL H 2.000 . 3.600 2.450 2.394 2.473 . 0 0 "[ . 1 . 2]" 1
93 1 8 VAL H 1 9 GLN QG 2.000 . 5.000 3.792 3.657 4.164 . 0 0 "[ . 1 . 2]" 1
94 1 9 GLN H 1 19 VAL HA 2.000 . 5.500 3.796 3.759 3.870 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLN H 1 19 VAL H 2.000 . 5.500 5.119 5.069 5.229 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLN H 1 19 VAL QG 2.000 . 6.000 3.582 3.514 3.747 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLN H 1 18 ARG QB 2.000 . 5.500 3.416 3.194 3.718 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLN H 1 20 VAL H 2.000 . 5.500 5.523 5.504 5.539 0.039 16 0 "[ . 1 . 2]" 1
99 1 9 GLN QB 1 18 ARG QG 2.000 . 6.500 3.849 3.069 4.824 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLN QG 1 18 ARG H 2.000 . 5.500 4.036 3.605 4.298 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLN QG 1 19 VAL HA 2.000 . 5.500 4.685 4.604 4.736 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLN H 1 9 GLN QB 2.000 . 3.600 2.776 2.634 2.833 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLN H 1 9 GLN QG 2.000 . 5.000 2.623 2.242 2.738 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL HA 1 9 GLN H 2.000 . 3.600 2.296 2.192 2.325 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL HB 1 9 GLN H 2.000 . 5.000 3.920 3.864 4.145 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLN H 1 10 ASP H 2.000 . 5.000 4.300 4.183 4.478 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL QG 1 9 GLN H 2.000 . 5.000 2.036 1.931 2.527 . 0 0 "[ . 1 . 2]" 1
108 1 10 ASP QB 1 37 LEU QB 2.000 . 5.500 3.277 2.880 3.668 . 0 0 "[ . 1 . 2]" 1
109 1 10 ASP QB 1 37 LEU QD 2.000 . 6.000 2.629 2.182 3.580 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLN HA 1 10 ASP QB 2.000 . 6.000 4.561 4.453 4.664 . 0 0 "[ . 1 . 2]" 1
111 1 10 ASP HA 1 17 CYS HA 2.000 . 5.500 4.145 3.750 4.647 . 0 0 "[ . 1 . 2]" 1
112 1 10 ASP H 1 10 ASP QB 2.000 . 5.000 2.609 2.525 2.731 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLN HA 1 10 ASP H 2.000 . 2.600 2.204 2.185 2.341 . 0 0 "[ . 1 . 2]" 1
114 1 9 GLN QB 1 10 ASP H 2.000 . 5.000 3.243 2.703 3.390 . 0 0 "[ . 1 . 2]" 1
115 1 9 GLN QG 1 10 ASP H 2.000 . 5.000 4.400 4.354 4.540 . 0 0 "[ . 1 . 2]" 1
116 1 10 ASP H 1 11 ASN H 2.000 . 5.500 4.664 4.610 4.669 . 0 0 "[ . 1 . 2]" 1
117 1 10 ASP QB 1 11 ASN H 2.000 . 5.000 2.270 2.251 2.373 . 0 0 "[ . 1 . 2]" 1
118 1 10 ASP QB 1 11 ASN HA 2.000 . 5.500 4.536 4.396 4.594 . 0 0 "[ . 1 . 2]" 1
119 1 11 ASN H 1 17 CYS HA 2.000 . 5.000 4.143 3.765 4.813 . 0 0 "[ . 1 . 2]" 1
120 1 11 ASN QB 1 16 LEU H 2.000 . 5.500 2.127 1.739 2.735 0.061 14 0 "[ . 1 . 2]" 1
121 1 11 ASN H 1 11 ASN QB 2.000 . 5.000 2.656 2.521 2.815 . 0 0 "[ . 1 . 2]" 1
122 1 10 ASP HA 1 11 ASN H 2.000 . 3.600 2.523 2.517 2.525 . 0 0 "[ . 1 . 2]" 1
123 1 11 ASN H 1 12 ALA HA 2.000 . 6.000 5.009 4.923 5.122 . 0 0 "[ . 1 . 2]" 1
124 1 11 ASN H 1 12 ALA MB 2.000 . 6.000 4.942 4.912 4.958 . 0 0 "[ . 1 . 2]" 1
125 1 12 ALA H 1 13 SER HA 2.000 . 5.500 5.186 5.083 5.373 . 0 0 "[ . 1 . 2]" 1
126 1 12 ALA H 1 12 ALA MB 2.000 . 3.600 2.235 2.210 2.256 . 0 0 "[ . 1 . 2]" 1
127 1 11 ASN HA 1 12 ALA H 2.000 . 3.600 2.589 2.508 2.714 . 0 0 "[ . 1 . 2]" 1
128 1 11 ASN QB 1 12 ALA H 2.000 . 5.500 4.013 3.979 4.041 . 0 0 "[ . 1 . 2]" 1
129 1 12 ALA H 1 13 SER H 2.000 . 5.500 2.615 2.468 2.787 . 0 0 "[ . 1 . 2]" 1
130 1 12 ALA H 1 13 SER QB 2.000 . 5.500 4.473 4.271 4.663 . 0 0 "[ . 1 . 2]" 1
131 1 13 SER H 1 16 LEU H 2.000 . 5.500 3.961 3.828 4.147 . 0 0 "[ . 1 . 2]" 1
132 1 13 SER QB 1 16 LEU H 2.000 . 6.000 3.252 3.132 3.459 . 0 0 "[ . 1 . 2]" 1
133 1 13 SER QB 1 16 LEU QD 2.000 . 6.000 3.495 3.274 3.634 . 0 0 "[ . 1 . 2]" 1
134 1 13 SER QB 1 16 LEU HG 2.000 . 5.500 4.683 4.355 4.909 . 0 0 "[ . 1 . 2]" 1
135 1 13 SER QB 1 16 LEU QB 2.000 . 6.000 2.962 2.812 3.170 . 0 0 "[ . 1 . 2]" 1
136 1 13 SER H 1 13 SER QB 2.000 . 3.600 2.307 2.291 2.325 . 0 0 "[ . 1 . 2]" 1
137 1 12 ALA HA 1 13 SER H 2.000 . 3.600 3.381 3.350 3.415 . 0 0 "[ . 1 . 2]" 1
138 1 12 ALA MB 1 13 SER H 2.000 . 5.500 3.116 3.038 3.186 . 0 0 "[ . 1 . 2]" 1
139 1 11 ASN HA 1 13 SER H 2.000 . 3.600 2.982 2.914 3.055 . 0 0 "[ . 1 . 2]" 1
140 1 11 ASN QB 1 13 SER H 2.000 . 6.000 3.648 3.441 3.906 . 0 0 "[ . 1 . 2]" 1
141 1 13 SER H 1 14 ALA MB 2.000 . 6.000 4.764 4.734 4.780 . 0 0 "[ . 1 . 2]" 1
142 1 13 SER H 1 14 ALA HA 2.000 . 5.500 4.873 4.825 4.901 . 0 0 "[ . 1 . 2]" 1
143 1 11 ASN HA 1 14 ALA H 2.000 . 5.000 3.852 3.709 4.062 . 0 0 "[ . 1 . 2]" 1
144 1 14 ALA H 1 16 LEU HG 2.000 . 5.500 5.268 4.879 5.483 . 0 0 "[ . 1 . 2]" 1
145 1 14 ALA H 1 14 ALA MB 2.000 . 3.600 2.937 2.906 2.967 . 0 0 "[ . 1 . 2]" 1
146 1 13 SER HA 1 14 ALA H 2.000 . 5.000 3.569 3.565 3.580 . 0 0 "[ . 1 . 2]" 1
147 1 13 SER QB 1 14 ALA H 2.000 . 5.500 2.430 2.377 2.469 . 0 0 "[ . 1 . 2]" 1
148 1 14 ALA H 1 15 SER H 2.000 . 5.000 2.329 2.122 2.619 . 0 0 "[ . 1 . 2]" 1
149 1 14 ALA H 1 15 SER HA 2.000 . 5.800 4.067 4.018 4.170 . 0 0 "[ . 1 . 2]" 1
150 1 14 ALA H 1 15 SER QB 2.000 . 6.500 4.859 4.741 4.999 . 0 0 "[ . 1 . 2]" 1
151 1 15 SER HA 1 16 LEU QD 2.000 . 6.500 4.837 4.562 4.926 . 0 0 "[ . 1 . 2]" 1
152 1 15 SER QB 1 16 LEU QD 2.000 . 6.000 3.676 3.355 3.830 . 0 0 "[ . 1 . 2]" 1
153 1 15 SER QB 1 16 LEU HG 2.000 . 5.500 3.330 3.193 3.484 . 0 0 "[ . 1 . 2]" 1
154 1 15 SER QB 1 16 LEU QB 2.000 . 6.000 4.741 4.681 4.828 . 0 0 "[ . 1 . 2]" 1
155 1 14 ALA MB 1 15 SER HA 2.000 . 5.500 4.312 4.219 4.385 . 0 0 "[ . 1 . 2]" 1
156 1 15 SER H 1 15 SER QB 2.000 . 5.000 2.883 2.765 2.951 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA HA 1 15 SER H 2.000 . 5.000 3.572 3.551 3.588 . 0 0 "[ . 1 . 2]" 1
158 1 15 SER H 1 16 LEU H 2.000 . 3.600 2.030 1.889 2.275 . 0 0 "[ . 1 . 2]" 1
159 1 15 SER H 1 16 LEU QD 2.000 . 6.500 3.604 3.476 3.819 . 0 0 "[ . 1 . 2]" 1
160 1 15 SER H 1 16 LEU QB 2.000 . 5.500 3.518 3.406 3.749 . 0 0 "[ . 1 . 2]" 1
161 1 11 ASN HA 1 16 LEU H 2.000 . 5.500 3.203 2.916 3.465 . 0 0 "[ . 1 . 2]" 1
162 1 11 ASN QB 1 16 LEU QB 2.000 . 6.000 4.149 3.755 4.759 . 0 0 "[ . 1 . 2]" 1
163 1 16 LEU HA 1 33 GLU HA 2.000 . 5.000 2.581 2.335 3.048 . 0 0 "[ . 1 . 2]" 1
164 1 16 LEU QD 1 31 GLU QG 2.000 . 6.000 3.559 2.206 3.898 . 0 0 "[ . 1 . 2]" 1
165 1 16 LEU QD 1 31 GLU QB 2.000 . 6.000 2.991 2.693 3.785 . 0 0 "[ . 1 . 2]" 1
166 1 16 LEU H 1 17 CYS H 2.000 . 5.000 4.134 3.863 4.365 . 0 0 "[ . 1 . 2]" 1
167 1 16 LEU H 1 16 LEU QB 2.000 . 5.000 2.635 2.608 2.695 . 0 0 "[ . 1 . 2]" 1
168 1 16 LEU H 1 16 LEU HG 2.000 . 5.000 3.196 2.841 3.428 . 0 0 "[ . 1 . 2]" 1
169 1 16 LEU H 1 16 LEU QD 2.000 . 5.000 3.603 3.452 3.694 . 0 0 "[ . 1 . 2]" 1
170 1 15 SER QB 1 16 LEU H 2.000 . 5.000 3.788 3.711 3.853 . 0 0 "[ . 1 . 2]" 1
171 1 17 CYS H 1 32 ILE H 2.000 . 5.500 3.515 2.760 3.724 . 0 0 "[ . 1 . 2]" 1
172 1 17 CYS H 1 32 ILE HB 2.000 . 3.600 3.616 3.083 3.687 0.087 19 0 "[ . 1 . 2]" 1
173 1 17 CYS H 1 32 ILE HA 2.000 . 5.500 4.833 4.580 5.048 . 0 0 "[ . 1 . 2]" 1
174 1 17 CYS H 1 32 ILE MG 2.000 . 5.500 3.030 2.810 3.691 . 0 0 "[ . 1 . 2]" 1
175 1 17 CYS H 1 32 ILE MD 2.000 . 6.500 5.237 5.049 5.451 . 0 0 "[ . 1 . 2]" 1
176 1 17 CYS H 1 34 ALA H 2.000 . 5.500 3.589 3.129 4.380 . 0 0 "[ . 1 . 2]" 1
177 1 17 CYS H 1 33 GLU HA 2.000 . 5.000 3.278 3.028 3.642 . 0 0 "[ . 1 . 2]" 1
178 1 17 CYS H 1 33 GLU QB 2.000 . 6.000 5.000 4.840 5.406 . 0 0 "[ . 1 . 2]" 1
179 1 17 CYS QB 1 32 ILE HB 2.000 . 6.000 2.879 2.282 3.195 . 0 0 "[ . 1 . 2]" 1
180 1 17 CYS QB 1 32 ILE MG 2.000 . 5.500 2.390 2.258 2.692 . 0 0 "[ . 1 . 2]" 1
181 1 17 CYS H 1 17 CYS QB 2.000 . 5.000 2.443 2.287 2.685 . 0 0 "[ . 1 . 2]" 1
182 1 16 LEU HA 1 17 CYS H 2.000 . 3.600 2.196 2.171 2.238 . 0 0 "[ . 1 . 2]" 1
183 1 16 LEU QB 1 17 CYS H 2.000 . 5.000 3.436 3.043 3.688 . 0 0 "[ . 1 . 2]" 1
184 1 16 LEU HG 1 17 CYS H 2.000 . 5.000 4.900 4.796 5.014 0.014 2 0 "[ . 1 . 2]" 1
185 1 16 LEU QD 1 17 CYS H 2.000 . 6.000 3.692 3.423 3.841 . 0 0 "[ . 1 . 2]" 1
186 1 18 ARG HA 1 31 GLU HA 2.000 . 5.000 2.736 2.538 2.904 . 0 0 "[ . 1 . 2]" 1
187 1 18 ARG HA 1 31 GLU QB 2.000 . 5.500 4.784 4.621 4.865 . 0 0 "[ . 1 . 2]" 1
188 1 18 ARG H 1 31 GLU HA 2.000 . 5.500 5.305 5.014 5.487 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLN H 1 18 ARG H 2.000 . 5.000 2.996 2.915 3.143 . 0 0 "[ . 1 . 2]" 1
190 1 9 GLN QB 1 18 ARG H 2.000 . 6.000 2.757 2.499 3.060 . 0 0 "[ . 1 . 2]" 1
191 1 18 ARG H 1 32 ILE HB 2.000 . 5.500 4.735 4.305 4.996 . 0 0 "[ . 1 . 2]" 1
192 1 18 ARG HA 1 32 ILE HB 2.000 . 5.800 3.680 3.652 3.781 . 0 0 "[ . 1 . 2]" 1
193 1 18 ARG HA 1 32 ILE MG 2.000 . 6.000 5.071 5.034 5.131 . 0 0 "[ . 1 . 2]" 1
194 1 9 GLN QB 1 18 ARG QB 2.000 . 6.000 2.666 2.370 3.033 . 0 0 "[ . 1 . 2]" 1
195 1 18 ARG H 1 18 ARG QB 2.000 . 5.000 2.465 2.391 2.577 . 0 0 "[ . 1 . 2]" 1
196 1 18 ARG H 1 18 ARG QG 2.000 . 5.500 3.059 2.405 4.128 . 0 0 "[ . 1 . 2]" 1
197 1 18 ARG H 1 19 VAL H 2.000 . 5.500 4.534 4.468 4.607 . 0 0 "[ . 1 . 2]" 1
198 1 18 ARG H 1 19 VAL QG 2.000 . 6.000 3.854 3.764 3.998 . 0 0 "[ . 1 . 2]" 1
199 1 17 CYS HA 1 18 ARG H 2.000 . 3.600 2.317 2.274 2.342 . 0 0 "[ . 1 . 2]" 1
200 1 17 CYS QB 1 18 ARG H 2.000 . 5.000 3.005 2.762 3.553 . 0 0 "[ . 1 . 2]" 1
201 1 19 VAL H 1 30 ALA H 2.000 . 5.000 3.012 2.769 3.158 . 0 0 "[ . 1 . 2]" 1
202 1 19 VAL H 1 30 ALA HA 2.000 . 5.500 5.155 4.950 5.234 . 0 0 "[ . 1 . 2]" 1
203 1 19 VAL H 1 30 ALA MB 2.000 . 5.500 3.894 3.727 4.006 . 0 0 "[ . 1 . 2]" 1
204 1 19 VAL H 1 31 GLU HA 2.000 . 5.000 3.981 3.912 4.130 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL H 1 31 GLU QB 2.000 . 6.500 5.880 5.796 5.912 . 0 0 "[ . 1 . 2]" 1
206 1 8 VAL HA 1 19 VAL H 2.000 . 5.000 4.820 4.753 4.879 . 0 0 "[ . 1 . 2]" 1
207 1 8 VAL QG 1 19 VAL HB 2.000 . 5.500 3.890 3.813 3.994 . 0 0 "[ . 1 . 2]" 1
208 1 5 VAL QG 1 19 VAL HB 2.000 . 5.500 2.965 2.458 3.324 . 0 0 "[ . 1 . 2]" 1
209 1 19 VAL HB 1 21 LEU QD 2.000 . 6.000 2.680 2.500 2.812 . 0 0 "[ . 1 . 2]" 1
210 1 19 VAL HB 1 30 ALA MB 2.000 . 6.500 5.135 5.030 5.210 . 0 0 "[ . 1 . 2]" 1
211 1 19 VAL QG 1 32 ILE MD 2.000 . 5.500 1.922 1.866 2.330 . 0 0 "[ . 1 . 2]" 1
212 1 19 VAL QG 1 21 LEU QD 2.000 . 6.000 2.040 2.017 2.064 . 0 0 "[ . 1 . 2]" 1
213 1 19 VAL QG 1 21 LEU HG 2.000 . 5.500 2.638 2.493 2.735 . 0 0 "[ . 1 . 2]" 1
214 1 19 VAL H 1 19 VAL QG 2.000 . 5.000 2.068 1.940 2.177 . 0 0 "[ . 1 . 2]" 1
215 1 18 ARG HA 1 19 VAL H 2.000 . 2.600 2.254 2.210 2.327 . 0 0 "[ . 1 . 2]" 1
216 1 18 ARG QB 1 19 VAL H 2.000 . 5.000 3.095 2.703 3.705 . 0 0 "[ . 1 . 2]" 1
217 1 18 ARG QG 1 19 VAL H 2.000 . 5.000 3.605 2.115 4.147 . 0 0 "[ . 1 . 2]" 1
218 1 18 ARG QD 1 19 VAL H 2.000 . 5.500 4.679 3.090 4.944 . 0 0 "[ . 1 . 2]" 1
219 1 19 VAL H 1 20 VAL H 2.000 . 5.000 4.346 4.273 4.390 . 0 0 "[ . 1 . 2]" 1
220 1 7 LYS HA 1 20 VAL H 2.000 . 5.000 4.952 4.850 5.011 0.011 16 0 "[ . 1 . 2]" 1
221 1 7 LYS QB 1 20 VAL H 2.000 . 5.500 3.656 3.487 3.765 . 0 0 "[ . 1 . 2]" 1
222 1 6 LYS H 1 20 VAL H 2.000 . 5.500 3.850 3.675 4.035 . 0 0 "[ . 1 . 2]" 1
223 1 8 VAL H 1 20 VAL H 2.000 . 5.000 4.965 4.912 5.014 0.014 17 0 "[ . 1 . 2]" 1
224 1 20 VAL HA 1 29 ILE HA 2.000 . 5.000 2.442 2.341 2.546 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL HA 1 29 ILE HB 2.000 . 5.500 5.287 5.138 5.405 . 0 0 "[ . 1 . 2]" 1
226 1 20 VAL QG 1 29 ILE MD 2.000 . 5.500 3.218 3.062 3.326 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL QG 1 29 ILE HA 2.000 . 6.000 2.941 2.823 3.137 . 0 0 "[ . 1 . 2]" 1
228 1 20 VAL QG 1 71 TYR QB 2.000 . 6.500 3.704 3.612 3.784 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL QG 1 71 TYR HA 2.000 . 6.500 4.465 4.280 4.640 . 0 0 "[ . 1 . 2]" 1
230 1 20 VAL QG 1 27 GLU HA 2.000 . 6.500 3.753 3.630 4.011 . 0 0 "[ . 1 . 2]" 1
231 1 20 VAL QG 1 27 GLU QB 2.000 . 6.500 2.590 2.480 2.703 . 0 0 "[ . 1 . 2]" 1
232 1 20 VAL H 1 20 VAL QG 2.000 . 5.500 2.277 2.127 2.415 . 0 0 "[ . 1 . 2]" 1
233 1 19 VAL HA 1 20 VAL H 2.000 . 3.600 2.198 2.187 2.211 . 0 0 "[ . 1 . 2]" 1
234 1 19 VAL HB 1 20 VAL H 2.000 . 3.600 3.144 3.081 3.226 . 0 0 "[ . 1 . 2]" 1
235 1 19 VAL QG 1 20 VAL H 2.000 . 5.500 3.472 3.442 3.518 . 0 0 "[ . 1 . 2]" 1
236 1 20 VAL H 1 21 LEU H 2.000 . 5.500 4.336 4.318 4.358 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU H 1 28 MET H 2.000 . 5.000 3.245 3.142 3.355 . 0 0 "[ . 1 . 2]" 1
238 1 21 LEU H 1 28 MET HA 2.000 . 5.500 4.907 4.753 5.049 . 0 0 "[ . 1 . 2]" 1
239 1 21 LEU H 1 29 ILE HA 2.000 . 5.000 3.465 3.247 3.649 . 0 0 "[ . 1 . 2]" 1
240 1 21 LEU H 1 30 ALA MB 2.000 . 5.500 4.474 4.448 4.501 . 0 0 "[ . 1 . 2]" 1
241 1 21 LEU H 1 30 ALA H 2.000 . 5.000 4.511 4.358 4.673 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL QG 1 21 LEU H 2.000 . 6.000 3.797 3.732 3.892 . 0 0 "[ . 1 . 2]" 1
243 1 3 TRP QB 1 21 LEU QD 2.000 . 5.500 3.007 2.663 3.206 . 0 0 "[ . 1 . 2]" 1
244 1 5 VAL HA 1 21 LEU QD 2.000 . 6.000 2.803 2.508 2.947 . 0 0 "[ . 1 . 2]" 1
245 1 21 LEU H 1 21 LEU QB 2.000 . 5.000 2.624 2.608 2.640 . 0 0 "[ . 1 . 2]" 1
246 1 21 LEU H 1 21 LEU HG 2.000 . 5.500 2.106 2.067 2.134 . 0 0 "[ . 1 . 2]" 1
247 1 21 LEU H 1 21 LEU QD 2.000 . 5.500 2.852 2.801 2.960 . 0 0 "[ . 1 . 2]" 1
248 1 21 LEU H 1 22 GLN H 2.000 . 5.000 4.488 4.469 4.620 . 0 0 "[ . 1 . 2]" 1
249 1 20 VAL HA 1 21 LEU H 2.000 . 3.600 2.211 2.205 2.216 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL HB 1 21 LEU H 2.000 . 5.000 4.290 4.257 4.344 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL QG 1 21 LEU H 2.000 . 5.500 3.006 2.953 3.048 . 0 0 "[ . 1 . 2]" 1
252 1 5 VAL HA 1 22 GLN H 2.000 . 5.000 3.268 3.083 3.954 . 0 0 "[ . 1 . 2]" 1
253 1 4 TRP HA 1 22 GLN H 2.000 . 5.500 4.852 4.674 4.950 . 0 0 "[ . 1 . 2]" 1
254 1 4 TRP QB 1 22 GLN H 2.000 . 5.500 3.745 3.511 3.869 . 0 0 "[ . 1 . 2]" 1
255 1 3 TRP HA 1 22 GLN H 2.000 . 5.500 5.290 4.650 5.491 . 0 0 "[ . 1 . 2]" 1
256 1 3 TRP QB 1 22 GLN H 2.000 . 5.500 3.848 3.106 4.090 . 0 0 "[ . 1 . 2]" 1
257 1 6 LYS H 1 22 GLN H 2.000 . 5.500 3.859 3.606 4.694 . 0 0 "[ . 1 . 2]" 1
258 1 22 GLN H 1 27 GLU HA 2.000 . 5.500 4.894 4.830 4.937 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLN HA 1 27 GLU HA 2.000 . 5.000 2.316 2.281 2.324 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL HB 1 22 GLN QB 2.000 . 6.000 5.168 5.072 5.297 . 0 0 "[ . 1 . 2]" 1
261 1 22 GLN H 1 22 GLN QB 2.000 . 5.000 2.384 2.328 2.697 . 0 0 "[ . 1 . 2]" 1
262 1 22 GLN H 1 22 GLN QG 2.000 . 5.500 4.004 3.960 4.166 . 0 0 "[ . 1 . 2]" 1
263 1 21 LEU HA 1 22 GLN H 2.000 . 3.600 2.179 2.163 2.376 . 0 0 "[ . 1 . 2]" 1
264 1 21 LEU QB 1 22 GLN H 2.000 . 5.000 3.258 2.643 3.313 . 0 0 "[ . 1 . 2]" 1
265 1 21 LEU HG 1 22 GLN H 2.000 . 5.500 5.247 5.069 5.279 . 0 0 "[ . 1 . 2]" 1
266 1 21 LEU QD 1 22 GLN H 2.000 . 5.500 3.744 3.617 3.777 . 0 0 "[ . 1 . 2]" 1
267 1 23 SER H 1 26 LEU H 2.000 . 5.000 3.598 2.910 3.755 . 0 0 "[ . 1 . 2]" 1
268 1 23 SER H 1 26 LEU HA 2.000 . 5.000 4.999 4.882 5.036 0.036 14 0 "[ . 1 . 2]" 1
269 1 23 SER H 1 26 LEU QB 2.000 . 5.500 3.812 3.453 4.121 . 0 0 "[ . 1 . 2]" 1
270 1 23 SER H 1 26 LEU QD 2.000 . 7.000 4.796 4.552 5.050 . 0 0 "[ . 1 . 2]" 1
271 1 23 SER H 1 27 GLU HA 2.000 . 3.600 3.635 3.619 3.692 0.092 2 0 "[ . 1 . 2]" 1
272 1 23 SER H 1 27 GLU QG 2.000 . 5.500 4.318 3.951 4.721 . 0 0 "[ . 1 . 2]" 1
273 1 3 TRP HA 1 23 SER HA 2.000 . 5.500 3.940 3.750 4.280 . 0 0 "[ . 1 . 2]" 1
274 1 3 TRP QB 1 23 SER HA 2.000 . 6.000 4.738 4.357 5.116 . 0 0 "[ . 1 . 2]" 1
275 1 23 SER H 1 23 SER QB 2.000 . 5.000 2.861 2.598 3.296 . 0 0 "[ . 1 . 2]" 1
276 1 22 GLN HA 1 23 SER H 2.000 . 2.600 2.284 2.239 2.334 . 0 0 "[ . 1 . 2]" 1
277 1 22 GLN QB 1 23 SER H 2.000 . 5.000 3.548 3.459 3.639 . 0 0 "[ . 1 . 2]" 1
278 1 22 GLN QG 1 23 SER H 2.000 . 5.000 2.215 2.066 2.517 . 0 0 "[ . 1 . 2]" 1
279 1 23 SER H 1 24 GLY H 2.000 . 5.000 3.927 3.753 4.340 . 0 0 "[ . 1 . 2]" 1
280 1 23 SER H 1 24 GLY QA 2.000 . 6.000 4.701 4.618 4.823 . 0 0 "[ . 1 . 2]" 1
281 1 22 GLN QG 1 24 GLY H 2.000 . 5.500 3.662 3.190 4.612 . 0 0 "[ . 1 . 2]" 1
282 1 23 SER HA 1 24 GLY H 2.000 . 3.600 2.235 2.182 2.305 . 0 0 "[ . 1 . 2]" 1
283 1 23 SER QB 1 24 GLY H 2.000 . 5.500 3.772 3.034 4.014 . 0 0 "[ . 1 . 2]" 1
284 1 24 GLY QA 1 25 ALA MB 2.000 . 5.500 3.559 3.469 3.608 . 0 0 "[ . 1 . 2]" 1
285 1 24 GLY QA 1 25 ALA H 2.000 . 3.600 2.550 2.275 2.774 . 0 0 "[ . 1 . 2]" 1
286 1 25 ALA H 1 25 ALA MB 2.000 . 5.500 2.793 2.689 2.965 . 0 0 "[ . 1 . 2]" 1
287 1 25 ALA H 1 26 LEU H 2.000 . 3.600 1.873 1.786 2.867 0.014 12 0 "[ . 1 . 2]" 1
288 1 25 ALA H 1 26 LEU QD 2.000 . 6.500 3.611 2.959 4.750 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLY QA 1 26 LEU H 2.000 . 5.000 3.931 3.139 4.054 . 0 0 "[ . 1 . 2]" 1
290 1 23 SER HA 1 26 LEU H 2.000 . 5.500 5.387 4.841 5.526 0.026 14 0 "[ . 1 . 2]" 1
291 1 23 SER QB 1 26 LEU H 2.000 . 5.500 4.521 3.973 4.967 . 0 0 "[ . 1 . 2]" 1
292 1 22 GLN HA 1 26 LEU H 2.000 . 5.800 5.388 4.638 5.613 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLN QG 1 26 LEU H 2.000 . 5.800 4.129 3.273 4.505 . 0 0 "[ . 1 . 2]" 1
294 1 26 LEU H 1 26 LEU QB 2.000 . 5.000 2.499 2.270 2.671 . 0 0 "[ . 1 . 2]" 1
295 1 26 LEU H 1 26 LEU HG 2.000 . 5.000 2.899 1.807 4.429 . 0 0 "[ . 1 . 2]" 1
296 1 26 LEU H 1 26 LEU QD 2.000 . 5.500 2.427 1.749 3.969 0.051 3 0 "[ . 1 . 2]" 1
297 1 25 ALA HA 1 26 LEU H 2.000 . 5.000 3.447 2.966 3.533 . 0 0 "[ . 1 . 2]" 1
298 1 25 ALA MB 1 26 LEU H 2.000 . 5.000 2.848 2.649 3.610 . 0 0 "[ . 1 . 2]" 1
299 1 26 LEU H 1 27 GLU H 2.000 . 5.000 4.609 4.360 4.655 . 0 0 "[ . 1 . 2]" 1
300 1 27 GLU H 1 71 TYR QB 2.000 . 6.000 3.696 3.481 4.258 . 0 0 "[ . 1 . 2]" 1
301 1 27 GLU H 1 70 HIS HA 2.000 . 5.800 5.689 5.419 5.820 0.020 2 0 "[ . 1 . 2]" 1
302 1 22 GLN QB 1 27 GLU HA 2.000 . 5.000 3.718 2.794 3.892 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLN QG 1 27 GLU HA 2.000 . 5.500 3.414 2.849 3.655 . 0 0 "[ . 1 . 2]" 1
304 1 20 VAL HB 1 27 GLU QB 2.000 . 6.000 5.069 5.021 5.117 . 0 0 "[ . 1 . 2]" 1
305 1 27 GLU QB 1 71 TYR QB 2.000 . 5.500 2.478 2.195 2.867 . 0 0 "[ . 1 . 2]" 1
306 1 27 GLU H 1 27 GLU QB 2.000 . 5.000 2.761 2.483 2.886 . 0 0 "[ . 1 . 2]" 1
307 1 27 GLU H 1 27 GLU QG 2.000 . 5.000 2.584 2.196 3.522 . 0 0 "[ . 1 . 2]" 1
308 1 26 LEU HA 1 27 GLU H 2.000 . 2.600 2.415 2.202 2.522 . 0 0 "[ . 1 . 2]" 1
309 1 26 LEU QB 1 27 GLU H 2.000 . 5.500 2.678 2.297 3.718 . 0 0 "[ . 1 . 2]" 1
310 1 26 LEU HG 1 27 GLU H 2.000 . 5.500 4.365 2.657 5.266 . 0 0 "[ . 1 . 2]" 1
311 1 26 LEU QD 1 27 GLU H 2.000 . 5.500 3.500 1.789 4.104 0.011 13 0 "[ . 1 . 2]" 1
312 1 27 GLU H 1 28 MET H 2.000 . 5.000 4.487 4.404 4.597 . 0 0 "[ . 1 . 2]" 1
313 1 27 GLU H 1 28 MET QB 2.000 . 6.500 5.562 4.621 5.892 . 0 0 "[ . 1 . 2]" 1
314 1 22 GLN HA 1 28 MET H 2.000 . 5.000 3.580 3.375 3.942 . 0 0 "[ . 1 . 2]" 1
315 1 22 GLN QB 1 28 MET H 2.000 . 5.500 4.701 3.827 4.783 . 0 0 "[ . 1 . 2]" 1
316 1 21 LEU HA 1 28 MET H 2.000 . 5.500 4.847 4.734 4.956 . 0 0 "[ . 1 . 2]" 1
317 1 21 LEU QB 1 28 MET H 2.000 . 5.500 3.893 3.834 3.950 . 0 0 "[ . 1 . 2]" 1
318 1 21 LEU QD 1 28 MET H 2.000 . 6.500 4.927 4.906 4.954 . 0 0 "[ . 1 . 2]" 1
319 1 20 VAL HA 1 28 MET H 2.000 . 5.500 4.170 4.033 4.307 . 0 0 "[ . 1 . 2]" 1
320 1 20 VAL QG 1 28 MET H 2.000 . 6.000 2.788 2.637 2.854 . 0 0 "[ . 1 . 2]" 1
321 1 28 MET HA 1 70 HIS HA 2.000 . 5.500 2.815 2.514 3.265 . 0 0 "[ . 1 . 2]" 1
322 1 28 MET HA 1 71 TYR QB 2.000 . 5.500 2.538 2.285 2.914 . 0 0 "[ . 1 . 2]" 1
323 1 28 MET QB 1 71 TYR H 2.000 . 5.500 3.566 3.205 4.259 . 0 0 "[ . 1 . 2]" 1
324 1 28 MET H 1 28 MET QB 2.000 . 5.000 2.824 2.727 3.254 . 0 0 "[ . 1 . 2]" 1
325 1 28 MET H 1 28 MET QG 2.000 . 5.000 2.972 2.264 4.190 . 0 0 "[ . 1 . 2]" 1
326 1 27 GLU HA 1 28 MET H 2.000 . 3.600 2.337 2.271 2.412 . 0 0 "[ . 1 . 2]" 1
327 1 27 GLU QB 1 28 MET H 2.000 . 5.000 2.726 2.538 2.898 . 0 0 "[ . 1 . 2]" 1
328 1 27 GLU QG 1 28 MET H 2.000 . 5.000 4.221 3.986 4.312 . 0 0 "[ . 1 . 2]" 1
329 1 20 VAL HA 1 29 ILE H 2.000 . 5.500 4.869 4.774 4.940 . 0 0 "[ . 1 . 2]" 1
330 1 29 ILE H 1 69 THR MG 2.000 . 5.500 3.930 3.434 4.605 . 0 0 "[ . 1 . 2]" 1
331 1 29 ILE H 1 68 ALA HA 2.000 . 5.500 4.986 4.929 5.041 . 0 0 "[ . 1 . 2]" 1
332 1 29 ILE H 1 68 ALA MB 2.000 . 6.000 4.826 4.813 4.848 . 0 0 "[ . 1 . 2]" 1
333 1 29 ILE HB 1 69 THR HA 2.000 . 5.500 5.426 5.248 5.514 0.014 12 0 "[ . 1 . 2]" 1
334 1 29 ILE HB 1 69 THR MG 2.000 . 5.500 3.540 3.169 4.186 . 0 0 "[ . 1 . 2]" 1
335 1 29 ILE MD 1 76 TRP QB 2.000 . 5.500 2.167 2.052 2.289 . 0 0 "[ . 1 . 2]" 1
336 1 29 ILE MD 1 76 TRP HA 2.000 . 5.500 2.491 2.171 2.954 . 0 0 "[ . 1 . 2]" 1
337 1 29 ILE H 1 29 ILE QG 2.000 . 5.000 2.903 2.691 3.085 . 0 0 "[ . 1 . 2]" 1
338 1 29 ILE H 1 29 ILE MG 2.000 . 5.500 3.799 3.776 3.825 . 0 0 "[ . 1 . 2]" 1
339 1 29 ILE H 1 29 ILE MD 2.000 . 5.500 3.891 3.698 4.064 . 0 0 "[ . 1 . 2]" 1
340 1 28 MET HA 1 29 ILE H 2.000 . 3.600 2.298 2.189 2.385 . 0 0 "[ . 1 . 2]" 1
341 1 28 MET QB 1 29 ILE H 2.000 . 5.000 2.844 2.592 3.731 . 0 0 "[ . 1 . 2]" 1
342 1 28 MET QG 1 29 ILE H 2.000 . 6.000 4.053 2.637 4.270 . 0 0 "[ . 1 . 2]" 1
343 1 19 VAL HA 1 30 ALA H 2.000 . 5.500 5.132 5.003 5.208 . 0 0 "[ . 1 . 2]" 1
344 1 19 VAL HB 1 30 ALA H 2.000 . 5.500 5.533 5.510 5.557 0.057 13 0 "[ . 1 . 2]" 1
345 1 19 VAL QG 1 30 ALA H 2.000 . 6.000 3.179 3.130 3.274 . 0 0 "[ . 1 . 2]" 1
346 1 20 VAL HA 1 30 ALA H 2.000 . 5.000 3.731 3.646 3.845 . 0 0 "[ . 1 . 2]" 1
347 1 20 VAL QG 1 30 ALA H 2.000 . 7.000 4.131 4.030 4.318 . 0 0 "[ . 1 . 2]" 1
348 1 21 LEU HG 1 30 ALA H 2.000 . 5.800 4.392 4.184 4.600 . 0 0 "[ . 1 . 2]" 1
349 1 21 LEU QD 1 30 ALA H 2.000 . 6.500 4.472 4.303 4.622 . 0 0 "[ . 1 . 2]" 1
350 1 30 ALA HA 1 67 ASN HA 2.000 . 5.500 5.419 5.366 5.497 . 0 0 "[ . 1 . 2]" 1
351 1 21 LEU HG 1 30 ALA MB 2.000 . 6.000 3.432 3.336 3.515 . 0 0 "[ . 1 . 2]" 1
352 1 21 LEU QD 1 30 ALA MB 2.000 . 6.000 2.905 2.710 3.020 . 0 0 "[ . 1 . 2]" 1
353 1 30 ALA H 1 30 ALA MB 2.000 . 3.600 2.684 2.673 2.699 . 0 0 "[ . 1 . 2]" 1
354 1 30 ALA H 1 31 GLU H 2.000 . 5.500 4.349 4.300 4.373 . 0 0 "[ . 1 . 2]" 1
355 1 29 ILE HA 1 30 ALA H 2.000 . 3.600 2.265 2.239 2.282 . 0 0 "[ . 1 . 2]" 1
356 1 29 ILE HB 1 30 ALA H 2.000 . 5.000 4.146 4.076 4.209 . 0 0 "[ . 1 . 2]" 1
357 1 29 ILE MG 1 30 ALA H 2.000 . 5.500 2.373 2.304 2.456 . 0 0 "[ . 1 . 2]" 1
358 1 29 ILE QG 1 30 ALA H 2.000 . 5.500 3.988 3.940 4.040 . 0 0 "[ . 1 . 2]" 1
359 1 31 GLU H 1 67 ASN H 2.000 . 5.000 2.935 2.842 3.085 . 0 0 "[ . 1 . 2]" 1
360 1 31 GLU H 1 67 ASN HA 2.000 . 5.500 4.915 4.838 5.010 . 0 0 "[ . 1 . 2]" 1
361 1 31 GLU H 1 67 ASN QB 2.000 . 5.800 3.566 3.303 4.280 . 0 0 "[ . 1 . 2]" 1
362 1 18 ARG HA 1 31 GLU H 2.000 . 5.500 5.212 4.989 5.374 . 0 0 "[ . 1 . 2]" 1
363 1 31 GLU H 1 66 ARG H 2.000 . 5.000 3.854 3.737 4.029 . 0 0 "[ . 1 . 2]" 1
364 1 31 GLU H 1 66 ARG QB 2.000 . 5.000 3.783 3.567 4.062 . 0 0 "[ . 1 . 2]" 1
365 1 31 GLU QB 1 66 ARG QB 2.000 . 6.000 2.191 2.068 2.305 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLU QB 1 67 ASN HA 2.000 . 6.500 5.107 4.976 5.240 . 0 0 "[ . 1 . 2]" 1
367 1 31 GLU QB 1 67 ASN QB 2.000 . 6.000 3.157 2.851 4.051 . 0 0 "[ . 1 . 2]" 1
368 1 16 LEU QB 1 31 GLU QB 2.000 . 6.000 3.693 3.465 4.331 . 0 0 "[ . 1 . 2]" 1
369 1 31 GLU H 1 31 GLU QB 2.000 . 5.000 2.252 2.190 2.313 . 0 0 "[ . 1 . 2]" 1
370 1 31 GLU H 1 31 GLU QG 2.000 . 5.000 3.213 2.738 3.991 . 0 0 "[ . 1 . 2]" 1
371 1 30 ALA HA 1 31 GLU H 2.000 . 3.600 2.218 2.185 2.237 . 0 0 "[ . 1 . 2]" 1
372 1 30 ALA MB 1 31 GLU H 2.000 . 5.000 2.913 2.860 3.019 . 0 0 "[ . 1 . 2]" 1
373 1 31 GLU H 1 32 ILE H 2.000 . 5.000 4.533 4.483 4.657 . 0 0 "[ . 1 . 2]" 1
374 1 17 CYS HA 1 32 ILE H 2.000 . 5.000 4.804 4.647 4.872 . 0 0 "[ . 1 . 2]" 1
375 1 17 CYS QB 1 32 ILE H 2.000 . 6.000 4.083 3.905 4.230 . 0 0 "[ . 1 . 2]" 1
376 1 18 ARG HA 1 32 ILE H 2.000 . 5.000 2.935 2.718 3.346 . 0 0 "[ . 1 . 2]" 1
377 1 16 LEU QD 1 32 ILE H 2.000 . 6.000 4.074 3.872 4.214 . 0 0 "[ . 1 . 2]" 1
378 1 16 LEU QB 1 32 ILE H 2.000 . 6.000 4.103 3.734 4.322 . 0 0 "[ . 1 . 2]" 1
379 1 32 ILE HA 1 65 ILE HA 2.000 . 5.500 3.146 2.945 3.428 . 0 0 "[ . 1 . 2]" 1
380 1 32 ILE HA 1 63 LEU QD 2.000 . 6.500 4.189 3.941 4.342 . 0 0 "[ . 1 . 2]" 1
381 1 19 VAL QG 1 32 ILE MG 2.000 . 6.000 3.061 2.920 3.306 . 0 0 "[ . 1 . 2]" 1
382 1 32 ILE MD 1 65 ILE HB 2.000 . 5.500 3.946 3.644 4.277 . 0 0 "[ . 1 . 2]" 1
383 1 32 ILE MD 1 65 ILE HA 2.000 . 5.500 2.568 2.244 2.981 . 0 0 "[ . 1 . 2]" 1
384 1 21 LEU QD 1 32 ILE MD 2.000 . 7.000 3.392 3.179 3.596 . 0 0 "[ . 1 . 2]" 1
385 1 32 ILE QG 1 65 ILE HA 2.000 . 6.000 3.461 3.091 4.182 . 0 0 "[ . 1 . 2]" 1
386 1 32 ILE QG 1 65 ILE MG 2.000 . 5.500 3.511 3.312 3.887 . 0 0 "[ . 1 . 2]" 1
387 1 32 ILE QG 1 63 LEU MD1 2.000 . 5.500 2.989 1.943 3.747 . 0 0 "[ . 1 . 2]" 1
388 1 32 ILE QG 1 63 LEU MD2 2.000 . 5.500 2.606 1.938 4.005 . 0 0 "[ . 1 . 2]" 1
389 1 32 ILE QG 1 63 LEU HG 2.000 . 5.500 2.672 2.275 3.752 . 0 0 "[ . 1 . 2]" 1
390 1 32 ILE H 1 32 ILE QG 2.000 . 5.000 3.795 3.079 4.000 . 0 0 "[ . 1 . 2]" 1
391 1 32 ILE H 1 32 ILE MG 2.000 . 5.500 3.617 3.506 3.852 . 0 0 "[ . 1 . 2]" 1
392 1 32 ILE H 1 32 ILE MD 2.000 . 5.500 2.716 2.482 3.999 . 0 0 "[ . 1 . 2]" 1
393 1 31 GLU HA 1 32 ILE H 2.000 . 3.600 2.206 2.166 2.379 . 0 0 "[ . 1 . 2]" 1
394 1 31 GLU QB 1 32 ILE H 2.000 . 5.500 3.265 2.700 3.817 . 0 0 "[ . 1 . 2]" 1
395 1 31 GLU QG 1 32 ILE H 2.000 . 5.500 3.756 2.769 4.034 . 0 0 "[ . 1 . 2]" 1
396 1 33 GLU H 1 66 ARG H 2.000 . 5.000 4.871 4.426 5.009 0.009 9 0 "[ . 1 . 2]" 1
397 1 33 GLU H 1 64 LYS H 2.000 . 5.000 3.726 3.528 3.851 . 0 0 "[ . 1 . 2]" 1
398 1 33 GLU H 1 65 ILE HA 2.000 . 5.000 4.423 4.050 4.679 . 0 0 "[ . 1 . 2]" 1
399 1 33 GLU H 1 64 LYS HA 2.000 . 5.500 5.535 5.506 5.567 0.067 7 0 "[ . 1 . 2]" 1
400 1 33 GLU H 1 64 LYS QB 2.000 . 5.000 3.610 3.279 4.301 . 0 0 "[ . 1 . 2]" 1
401 1 33 GLU H 1 63 LEU HA 2.000 . 5.800 5.528 5.260 5.744 . 0 0 "[ . 1 . 2]" 1
402 1 33 GLU H 1 63 LEU QD 2.000 . 6.000 4.200 4.068 4.301 . 0 0 "[ . 1 . 2]" 1
403 1 33 GLU H 1 63 LEU HG 2.000 . 5.500 4.425 4.256 4.680 . 0 0 "[ . 1 . 2]" 1
404 1 16 LEU QB 1 33 GLU HA 2.000 . 5.500 4.412 4.071 4.915 . 0 0 "[ . 1 . 2]" 1
405 1 16 LEU QD 1 33 GLU HA 2.000 . 6.000 2.595 2.261 3.365 . 0 0 "[ . 1 . 2]" 1
406 1 16 LEU HG 1 33 GLU HA 2.000 . 6.000 4.287 3.910 5.295 . 0 0 "[ . 1 . 2]" 1
407 1 15 SER HA 1 33 GLU HA 2.000 . 5.500 5.449 5.276 5.544 0.044 17 0 "[ . 1 . 2]" 1
408 1 15 SER QB 1 33 GLU HA 2.000 . 6.000 4.602 4.366 4.769 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLU H 1 33 GLU QB 2.000 . 5.500 2.545 2.358 3.106 . 0 0 "[ . 1 . 2]" 1
410 1 33 GLU H 1 33 GLU QG 2.000 . 5.500 3.941 1.956 4.128 . 0 0 "[ . 1 . 2]" 1
411 1 32 ILE HA 1 33 GLU H 2.000 . 3.600 2.244 2.230 2.253 . 0 0 "[ . 1 . 2]" 1
412 1 32 ILE HB 1 33 GLU H 2.000 . 5.000 4.174 4.002 4.259 . 0 0 "[ . 1 . 2]" 1
413 1 32 ILE QG 1 33 GLU H 2.000 . 5.500 3.655 3.409 4.462 . 0 0 "[ . 1 . 2]" 1
414 1 32 ILE MG 1 33 GLU H 2.000 . 5.000 2.232 2.179 2.360 . 0 0 "[ . 1 . 2]" 1
415 1 32 ILE MD 1 33 GLU H 2.000 . 6.000 4.022 3.191 4.138 . 0 0 "[ . 1 . 2]" 1
416 1 33 GLU H 1 34 ALA H 2.000 . 5.500 4.067 3.907 4.189 . 0 0 "[ . 1 . 2]" 1
417 1 16 LEU HA 1 34 ALA H 2.000 . 5.500 3.738 3.364 4.336 . 0 0 "[ . 1 . 2]" 1
418 1 15 SER HA 1 34 ALA H 2.000 . 5.000 4.984 4.866 5.020 0.020 3 0 "[ . 1 . 2]" 1
419 1 32 ILE MG 1 34 ALA H 2.000 . 5.500 3.222 3.070 3.543 . 0 0 "[ . 1 . 2]" 1
420 1 34 ALA H 1 37 LEU QD 2.000 . 6.000 3.884 3.527 4.000 . 0 0 "[ . 1 . 2]" 1
421 1 34 ALA MB 1 63 LEU QD 2.000 . 6.000 2.577 2.179 3.389 . 0 0 "[ . 1 . 2]" 1
422 1 32 ILE MG 1 34 ALA MB 2.000 . 6.000 2.569 2.486 2.707 . 0 0 "[ . 1 . 2]" 1
423 1 34 ALA MB 1 38 ARG H 2.000 . 6.000 4.952 4.885 4.983 . 0 0 "[ . 1 . 2]" 1
424 1 34 ALA MB 1 37 LEU QD 2.000 . 6.000 2.777 2.708 2.865 . 0 0 "[ . 1 . 2]" 1
425 1 34 ALA H 1 34 ALA MB 2.000 . 5.000 2.670 2.581 2.784 . 0 0 "[ . 1 . 2]" 1
426 1 33 GLU HA 1 34 ALA H 2.000 . 2.600 2.247 2.221 2.270 . 0 0 "[ . 1 . 2]" 1
427 1 33 GLU QB 1 34 ALA H 2.000 . 5.000 3.944 3.668 4.011 . 0 0 "[ . 1 . 2]" 1
428 1 33 GLU QG 1 34 ALA H 2.000 . 5.000 3.453 3.162 4.431 . 0 0 "[ . 1 . 2]" 1
429 1 34 ALA H 1 35 CYS QB 2.000 . 6.500 5.465 4.999 5.815 . 0 0 "[ . 1 . 2]" 1
430 1 34 ALA MB 1 35 CYS QB 2.000 . 6.500 4.138 3.925 4.396 . 0 0 "[ . 1 . 2]" 1
431 1 35 CYS QB 1 37 LEU QD 2.000 . 6.500 4.098 3.957 4.229 . 0 0 "[ . 1 . 2]" 1
432 1 35 CYS QB 1 37 LEU HG 2.000 . 5.500 4.483 4.272 4.808 . 0 0 "[ . 1 . 2]" 1
433 1 35 CYS H 1 35 CYS QB 2.000 . 5.000 2.767 2.623 3.266 . 0 0 "[ . 1 . 2]" 1
434 1 34 ALA HA 1 35 CYS H 2.000 . 3.600 2.733 2.564 2.858 . 0 0 "[ . 1 . 2]" 1
435 1 34 ALA MB 1 35 CYS H 2.000 . 5.000 1.951 1.794 2.184 0.006 14 0 "[ . 1 . 2]" 1
436 1 36 ARG QB 1 55 LEU QD 2.000 . 7.000 4.411 4.089 4.528 . 0 0 "[ . 1 . 2]" 1
437 1 36 ARG QB 1 61 GLN HA 2.000 . 6.000 4.952 4.660 5.399 . 0 0 "[ . 1 . 2]" 1
438 1 36 ARG QB 1 61 GLN QB 2.000 . 6.000 4.488 4.282 4.528 . 0 0 "[ . 1 . 2]" 1
439 1 36 ARG QD 1 61 GLN HA 2.000 . 5.500 3.012 2.621 4.124 . 0 0 "[ . 1 . 2]" 1
440 1 36 ARG QD 1 61 GLN QB 2.000 . 6.000 3.205 2.650 3.589 . 0 0 "[ . 1 . 2]" 1
441 1 36 ARG H 1 36 ARG QB 2.000 . 5.500 2.489 2.355 2.629 . 0 0 "[ . 1 . 2]" 1
442 1 36 ARG H 1 36 ARG QG 2.000 . 5.500 2.097 1.815 2.385 . 0 0 "[ . 1 . 2]" 1
443 1 35 CYS HA 1 36 ARG H 2.000 . 3.600 3.406 3.387 3.432 . 0 0 "[ . 1 . 2]" 1
444 1 36 ARG H 1 37 LEU H 2.000 . 5.000 2.514 2.454 2.587 . 0 0 "[ . 1 . 2]" 1
445 1 35 CYS HA 1 37 LEU H 2.000 . 5.000 4.074 3.893 4.160 . 0 0 "[ . 1 . 2]" 1
446 1 35 CYS QB 1 37 LEU H 2.000 . 5.500 4.924 4.879 4.984 . 0 0 "[ . 1 . 2]" 1
447 1 10 ASP QB 1 37 LEU HA 2.000 . 5.500 4.947 4.573 4.983 . 0 0 "[ . 1 . 2]" 1
448 1 37 LEU H 1 37 LEU QB 2.000 . 3.600 3.352 3.318 3.364 . 0 0 "[ . 1 . 2]" 1
449 1 37 LEU H 1 37 LEU HG 2.000 . 5.000 2.637 2.586 2.667 . 0 0 "[ . 1 . 2]" 1
450 1 37 LEU H 1 37 LEU QD 2.000 . 5.500 1.996 1.903 2.096 . 0 0 "[ . 1 . 2]" 1
451 1 36 ARG HA 1 37 LEU H 2.000 . 3.600 3.530 3.504 3.548 . 0 0 "[ . 1 . 2]" 1
452 1 36 ARG QB 1 37 LEU H 2.000 . 5.000 2.742 2.519 3.459 . 0 0 "[ . 1 . 2]" 1
453 1 36 ARG QG 1 37 LEU H 2.000 . 5.000 3.790 2.086 4.173 . 0 0 "[ . 1 . 2]" 1
454 1 36 ARG QD 1 37 LEU H 2.000 . 5.500 4.704 4.005 4.906 . 0 0 "[ . 1 . 2]" 1
455 1 37 LEU H 1 38 ARG H 2.000 . 5.000 2.939 2.818 3.328 . 0 0 "[ . 1 . 2]" 1
456 1 38 ARG H 1 55 LEU QD 2.000 . 7.000 4.832 4.485 5.088 . 0 0 "[ . 1 . 2]" 1
457 1 38 ARG QB 1 55 LEU QD 2.000 . 7.500 3.967 3.103 4.931 . 0 0 "[ . 1 . 2]" 1
458 1 38 ARG QD 1 55 LEU QD 2.000 . 7.000 3.751 2.893 4.281 . 0 0 "[ . 1 . 2]" 1
459 1 38 ARG H 1 38 ARG QB 2.000 . 3.600 2.526 2.307 3.240 . 0 0 "[ . 1 . 2]" 1
460 1 38 ARG H 1 38 ARG QD 2.000 . 5.000 4.367 3.657 4.515 . 0 0 "[ . 1 . 2]" 1
461 1 38 ARG H 1 38 ARG QG 2.000 . 5.000 3.469 1.795 4.021 0.005 9 0 "[ . 1 . 2]" 1
462 1 37 LEU HA 1 38 ARG H 2.000 . 5.000 2.902 2.451 3.120 . 0 0 "[ . 1 . 2]" 1
463 1 37 LEU QB 1 38 ARG H 2.000 . 5.000 3.794 3.665 3.912 . 0 0 "[ . 1 . 2]" 1
464 1 37 LEU HG 1 38 ARG H 2.000 . 5.500 4.715 4.440 5.153 . 0 0 "[ . 1 . 2]" 1
465 1 37 LEU QD 1 38 ARG H 2.000 . 6.000 4.050 3.979 4.090 . 0 0 "[ . 1 . 2]" 1
466 1 38 ARG H 1 39 LEU QB 2.000 . 5.500 4.518 3.809 4.921 . 0 0 "[ . 1 . 2]" 1
467 1 38 ARG H 1 39 LEU HA 2.000 . 5.500 4.678 4.188 4.876 . 0 0 "[ . 1 . 2]" 1
468 1 38 ARG H 1 39 LEU H 2.000 . 5.000 2.446 1.973 2.773 . 0 0 "[ . 1 . 2]" 1
469 1 38 ARG H 1 39 LEU QD 2.000 . 5.800 2.845 2.033 3.745 . 0 0 "[ . 1 . 2]" 1
470 1 8 VAL QG 1 39 LEU H 2.000 . 6.000 4.328 4.177 4.380 . 0 0 "[ . 1 . 2]" 1
471 1 39 LEU H 1 39 LEU QB 2.000 . 5.000 2.412 2.268 2.661 . 0 0 "[ . 1 . 2]" 1
472 1 39 LEU H 1 39 LEU HG 2.000 . 5.000 3.089 1.792 3.945 0.008 15 0 "[ . 1 . 2]" 1
473 1 39 LEU H 1 39 LEU QD 2.000 . 5.500 2.125 1.751 2.845 0.049 10 0 "[ . 1 . 2]" 1
474 1 38 ARG HA 1 39 LEU H 2.000 . 3.600 3.171 3.023 3.351 . 0 0 "[ . 1 . 2]" 1
475 1 38 ARG QB 1 39 LEU H 2.000 . 5.500 3.623 3.257 4.025 . 0 0 "[ . 1 . 2]" 1
476 1 38 ARG QG 1 39 LEU H 2.000 . 5.000 4.163 3.329 4.437 . 0 0 "[ . 1 . 2]" 1
477 1 38 ARG QD 1 39 LEU H 2.000 . 6.000 5.400 5.286 5.452 . 0 0 "[ . 1 . 2]" 1
478 1 39 LEU H 1 40 ARG H 2.000 . 5.000 4.663 4.634 4.683 . 0 0 "[ . 1 . 2]" 1
479 1 39 LEU H 1 40 ARG HA 2.000 . 5.500 5.501 5.354 5.557 0.057 6 0 "[ . 1 . 2]" 1
480 1 40 ARG H 1 43 ASP QB 2.000 . 6.000 2.644 2.199 3.783 . 0 0 "[ . 1 . 2]" 1
481 1 5 VAL QG 1 40 ARG H 2.000 . 6.000 3.435 2.928 3.839 . 0 0 "[ . 1 . 2]" 1
482 1 8 VAL QG 1 40 ARG HA 2.000 . 6.000 3.011 2.571 3.420 . 0 0 "[ . 1 . 2]" 1
483 1 5 VAL QG 1 40 ARG HA 2.000 . 7.000 4.591 4.187 4.909 . 0 0 "[ . 1 . 2]" 1
484 1 40 ARG H 1 40 ARG QB 2.000 . 5.500 2.920 2.636 3.385 . 0 0 "[ . 1 . 2]" 1
485 1 40 ARG H 1 40 ARG QG 2.000 . 5.500 3.624 2.341 4.227 . 0 0 "[ . 1 . 2]" 1
486 1 39 LEU HA 1 40 ARG H 2.000 . 5.000 2.440 2.262 2.463 . 0 0 "[ . 1 . 2]" 1
487 1 39 LEU QB 1 40 ARG H 2.000 . 5.000 2.482 2.421 2.851 . 0 0 "[ . 1 . 2]" 1
488 1 39 LEU HG 1 40 ARG H 2.000 . 5.000 4.180 3.715 5.048 0.048 14 0 "[ . 1 . 2]" 1
489 1 39 LEU QD 1 40 ARG H 2.000 . 5.500 3.774 3.527 3.926 . 0 0 "[ . 1 . 2]" 1
490 1 40 ARG H 1 41 GLU HA 2.000 . 5.500 4.843 4.726 4.964 . 0 0 "[ . 1 . 2]" 1
491 1 41 GLU H 1 43 ASP H 2.000 . 5.000 4.970 4.832 5.014 0.014 19 0 "[ . 1 . 2]" 1
492 1 8 VAL QG 1 41 GLU H 2.000 . 6.500 3.760 3.343 4.144 . 0 0 "[ . 1 . 2]" 1
493 1 5 VAL QG 1 41 GLU H 2.000 . 6.500 4.283 4.152 4.362 . 0 0 "[ . 1 . 2]" 1
494 1 7 LYS QB 1 41 GLU QG 2.000 . 6.000 4.546 4.212 4.690 . 0 0 "[ . 1 . 2]" 1
495 1 7 LYS HA 1 41 GLU QG 2.000 . 5.500 2.713 2.343 2.995 . 0 0 "[ . 1 . 2]" 1
496 1 41 GLU H 1 41 GLU QB 2.000 . 5.000 2.393 2.303 2.618 . 0 0 "[ . 1 . 2]" 1
497 1 41 GLU H 1 41 GLU QG 2.000 . 5.000 2.592 1.838 3.317 . 0 0 "[ . 1 . 2]" 1
498 1 40 ARG HA 1 41 GLU H 2.000 . 2.600 2.466 2.408 2.612 0.012 17 0 "[ . 1 . 2]" 1
499 1 40 ARG QB 1 41 GLU H 2.000 . 3.600 2.867 2.066 3.306 . 0 0 "[ . 1 . 2]" 1
500 1 40 ARG QG 1 41 GLU H 2.000 . 5.000 2.637 1.798 4.201 0.002 16 0 "[ . 1 . 2]" 1
501 1 40 ARG QD 1 41 GLU H 2.000 . 5.500 3.972 3.335 4.469 . 0 0 "[ . 1 . 2]" 1
502 1 40 ARG QD 1 41 GLU QB 2.000 . 7.000 4.946 4.221 5.356 . 0 0 "[ . 1 . 2]" 1
503 1 41 GLU HA 1 41 GLU QB 2.000 . 5.500 2.400 2.306 2.435 . 0 0 "[ . 1 . 2]" 1
504 1 5 VAL QG 1 42 GLY H 2.000 . 5.500 1.959 1.744 2.459 0.056 2 0 "[ . 1 . 2]" 1
505 1 5 VAL HB 1 42 GLY H 2.000 . 5.000 4.313 3.896 4.848 . 0 0 "[ . 1 . 2]" 1
506 1 5 VAL H 1 42 GLY QA 2.000 . 5.000 4.210 4.096 4.256 . 0 0 "[ . 1 . 2]" 1
507 1 41 GLU H 1 42 GLY H 2.000 . 5.500 4.640 4.598 4.671 . 0 0 "[ . 1 . 2]" 1
508 1 41 GLU HA 1 42 GLY H 2.000 . 2.600 2.259 2.202 2.351 . 0 0 "[ . 1 . 2]" 1
509 1 41 GLU QB 1 42 GLY H 2.000 . 5.000 2.967 2.668 3.210 . 0 0 "[ . 1 . 2]" 1
510 1 41 GLU QG 1 42 GLY H 2.000 . 5.000 3.975 3.757 4.281 . 0 0 "[ . 1 . 2]" 1
511 1 42 GLY H 1 43 ASP H 2.000 . 3.600 2.403 2.302 2.505 . 0 0 "[ . 1 . 2]" 1
512 1 42 GLY H 1 43 ASP QB 2.000 . 6.000 4.266 4.139 4.660 . 0 0 "[ . 1 . 2]" 1
513 1 5 VAL HA 1 43 ASP H 2.000 . 5.500 5.389 5.227 5.506 0.006 4 0 "[ . 1 . 2]" 1
514 1 5 VAL HB 1 43 ASP H 2.000 . 5.000 4.360 4.151 4.748 . 0 0 "[ . 1 . 2]" 1
515 1 5 VAL QG 1 43 ASP H 2.000 . 5.000 1.702 1.633 1.768 0.167 3 0 "[ . 1 . 2]" 1
516 1 41 GLU HA 1 43 ASP H 2.000 . 5.000 3.321 3.196 3.482 . 0 0 "[ . 1 . 2]" 1
517 1 41 GLU QB 1 43 ASP H 2.000 . 6.000 4.622 4.459 4.783 . 0 0 "[ . 1 . 2]" 1
518 1 41 GLU QG 1 43 ASP H 2.000 . 6.500 5.308 5.103 5.534 . 0 0 "[ . 1 . 2]" 1
519 1 40 ARG H 1 43 ASP H 2.000 . 5.000 4.467 4.079 4.991 . 0 0 "[ . 1 . 2]" 1
520 1 4 TRP HA 1 43 ASP H 2.000 . 5.500 4.908 4.429 5.302 . 0 0 "[ . 1 . 2]" 1
521 1 43 ASP H 1 43 ASP QB 2.000 . 3.600 2.300 2.256 2.491 . 0 0 "[ . 1 . 2]" 1
522 1 42 GLY QA 1 43 ASP H 2.000 . 3.600 2.912 2.871 2.928 . 0 0 "[ . 1 . 2]" 1
523 1 43 ASP H 1 44 LYS H 2.000 . 5.000 4.612 4.569 4.639 . 0 0 "[ . 1 . 2]" 1
524 1 44 LYS H 1 56 ASN H 2.000 . 5.500 3.598 2.530 4.012 . 0 0 "[ . 1 . 2]" 1
525 1 44 LYS H 1 56 ASN HA 2.000 . 5.500 4.649 3.079 5.238 . 0 0 "[ . 1 . 2]" 1
526 1 44 LYS H 1 55 LEU QD 2.000 . 7.000 5.054 4.810 5.138 . 0 0 "[ . 1 . 2]" 1
527 1 44 LYS H 1 55 LEU HA 2.000 . 5.500 4.674 4.232 4.919 . 0 0 "[ . 1 . 2]" 1
528 1 44 LYS H 1 55 LEU QB 2.000 . 6.500 4.235 3.986 4.345 . 0 0 "[ . 1 . 2]" 1
529 1 44 LYS QB 1 55 LEU HA 2.000 . 5.800 4.506 4.346 5.033 . 0 0 "[ . 1 . 2]" 1
530 1 44 LYS H 1 44 LYS QB 2.000 . 5.500 2.569 2.389 2.917 . 0 0 "[ . 1 . 2]" 1
531 1 44 LYS H 1 44 LYS QD 2.000 . 5.500 3.907 3.524 4.310 . 0 0 "[ . 1 . 2]" 1
532 1 44 LYS H 1 44 LYS QE 2.000 . 5.500 4.291 3.779 4.941 . 0 0 "[ . 1 . 2]" 1
533 1 43 ASP HA 1 44 LYS H 2.000 . 3.600 2.218 2.190 2.258 . 0 0 "[ . 1 . 2]" 1
534 1 43 ASP QB 1 44 LYS H 2.000 . 5.000 3.594 2.910 3.762 . 0 0 "[ . 1 . 2]" 1
535 1 44 LYS H 1 45 LEU H 2.000 . 5.500 4.368 4.246 4.442 . 0 0 "[ . 1 . 2]" 1
536 1 3 TRP QB 1 45 LEU H 2.000 . 5.500 3.560 3.146 3.833 . 0 0 "[ . 1 . 2]" 1
537 1 4 TRP HA 1 45 LEU H 2.000 . 5.000 3.535 3.216 4.082 . 0 0 "[ . 1 . 2]" 1
538 1 45 LEU QD 1 55 LEU H 2.000 . 7.000 3.832 3.434 4.094 . 0 0 "[ . 1 . 2]" 1
539 1 5 VAL QG 1 45 LEU H 2.000 . 6.500 4.041 3.654 4.229 . 0 0 "[ . 1 . 2]" 1
540 1 45 LEU HA 1 53 TYR QB 2.000 . 6.000 3.742 3.467 3.985 . 0 0 "[ . 1 . 2]" 1
541 1 45 LEU HA 1 55 LEU HA 2.000 . 5.500 2.451 2.342 2.642 . 0 0 "[ . 1 . 2]" 1
542 1 45 LEU HA 1 55 LEU QB 2.000 . 6.500 3.550 3.337 3.940 . 0 0 "[ . 1 . 2]" 1
543 1 45 LEU HA 1 55 LEU QD 2.000 . 7.000 4.839 4.655 5.122 . 0 0 "[ . 1 . 2]" 1
544 1 45 LEU H 1 45 LEU QB 2.000 . 5.000 2.642 2.311 2.729 . 0 0 "[ . 1 . 2]" 1
545 1 45 LEU H 1 45 LEU HG 2.000 . 5.000 2.275 2.025 3.921 . 0 0 "[ . 1 . 2]" 1
546 1 45 LEU H 1 45 LEU QD 2.000 . 5.500 2.893 2.062 3.088 . 0 0 "[ . 1 . 2]" 1
547 1 44 LYS HA 1 45 LEU H 2.000 . 3.600 2.191 2.176 2.215 . 0 0 "[ . 1 . 2]" 1
548 1 45 LEU H 1 46 THR H 2.000 . 5.500 4.414 4.299 4.591 . 0 0 "[ . 1 . 2]" 1
549 1 46 THR H 1 54 CYS H 2.000 . 3.600 3.004 2.254 3.407 . 0 0 "[ . 1 . 2]" 1
550 1 46 THR H 1 54 CYS QB 2.000 . 5.500 3.866 3.516 4.642 . 0 0 "[ . 1 . 2]" 1
551 1 46 THR H 1 53 TYR QB 2.000 . 5.500 3.759 3.172 4.352 . 0 0 "[ . 1 . 2]" 1
552 1 46 THR H 1 53 TYR HA 2.000 . 5.500 4.607 4.055 4.980 . 0 0 "[ . 1 . 2]" 1
553 1 1 MET HA 1 46 THR HA 2.000 . 5.500 5.454 5.380 5.511 0.011 3 0 "[ . 1 . 2]" 1
554 1 2 GLU QB 1 46 THR HA 2.000 . 5.500 3.640 2.597 4.185 . 0 0 "[ . 1 . 2]" 1
555 1 2 GLU QG 1 46 THR HA 2.000 . 5.500 3.377 2.334 4.972 . 0 0 "[ . 1 . 2]" 1
556 1 46 THR H 1 46 THR HB 2.000 . 3.600 3.479 3.097 3.660 0.060 19 0 "[ . 1 . 2]" 1
557 1 46 THR H 1 46 THR MG 2.000 . 5.000 1.903 1.759 2.064 0.041 7 0 "[ . 1 . 2]" 1
558 1 45 LEU HA 1 46 THR H 2.000 . 3.600 2.218 2.186 2.258 . 0 0 "[ . 1 . 2]" 1
559 1 45 LEU QB 1 46 THR H 2.000 . 5.000 3.312 2.969 3.528 . 0 0 "[ . 1 . 2]" 1
560 1 45 LEU HG 1 46 THR H 2.000 . 5.500 5.252 5.163 5.321 . 0 0 "[ . 1 . 2]" 1
561 1 45 LEU QD 1 46 THR H 2.000 . 5.800 3.796 3.193 3.964 . 0 0 "[ . 1 . 2]" 1
562 1 47 PRO HA 1 53 TYR HA 2.000 . 5.000 3.133 2.815 3.471 . 0 0 "[ . 1 . 2]" 1
563 1 48 LEU H 1 54 CYS H 2.000 . 5.000 4.195 3.716 4.826 . 0 0 "[ . 1 . 2]" 1
564 1 48 LEU H 1 53 TYR H 2.000 . 5.500 4.980 4.765 5.240 . 0 0 "[ . 1 . 2]" 1
565 1 48 LEU H 1 53 TYR HA 2.000 . 3.600 2.852 2.491 3.175 . 0 0 "[ . 1 . 2]" 1
566 1 48 LEU H 1 53 TYR QB 2.000 . 6.000 4.779 4.269 5.198 . 0 0 "[ . 1 . 2]" 1
567 1 48 LEU H 1 52 ARG H 2.000 . 5.000 4.949 4.715 5.026 0.026 5 0 "[ . 1 . 2]" 1
568 1 48 LEU H 1 52 ARG QB 2.000 . 5.500 4.302 3.906 4.553 . 0 0 "[ . 1 . 2]" 1
569 1 48 LEU H 1 48 LEU QB 2.000 . 5.000 2.279 2.255 2.321 . 0 0 "[ . 1 . 2]" 1
570 1 48 LEU H 1 48 LEU HG 2.000 . 5.500 4.382 4.325 4.478 . 0 0 "[ . 1 . 2]" 1
571 1 47 PRO HA 1 48 LEU H 2.000 . 2.600 2.220 2.204 2.247 . 0 0 "[ . 1 . 2]" 1
572 1 47 PRO QB 1 48 LEU H 2.000 . 5.000 3.361 3.223 3.486 . 0 0 "[ . 1 . 2]" 1
573 1 48 LEU H 1 49 ALA H 2.000 . 3.600 2.780 2.548 3.009 . 0 0 "[ . 1 . 2]" 1
574 1 49 ALA H 1 52 ARG H 2.000 . 5.000 4.103 3.868 4.338 . 0 0 "[ . 1 . 2]" 1
575 1 47 PRO QB 1 49 ALA H 2.000 . 5.500 4.369 4.017 4.677 . 0 0 "[ . 1 . 2]" 1
576 1 49 ALA H 1 50 ASP H 2.000 . 5.000 2.691 2.258 3.332 . 0 0 "[ . 1 . 2]" 1
577 1 49 ALA H 1 51 ALA H 2.000 . 5.500 3.047 2.900 3.605 . 0 0 "[ . 1 . 2]" 1
578 1 49 ALA H 1 53 TYR HA 2.000 . 5.500 5.304 5.080 5.511 0.011 10 0 "[ . 1 . 2]" 1
579 1 49 ALA H 1 49 ALA MB 2.000 . 5.000 2.840 2.714 2.868 . 0 0 "[ . 1 . 2]" 1
580 1 49 ALA H 1 50 ASP HA 2.000 . 5.500 4.736 4.594 5.007 . 0 0 "[ . 1 . 2]" 1
581 1 48 LEU HA 1 49 ALA H 2.000 . 3.600 3.585 3.559 3.597 . 0 0 "[ . 1 . 2]" 1
582 1 48 LEU QB 1 49 ALA H 2.000 . 5.000 2.083 1.817 2.442 . 0 0 "[ . 1 . 2]" 1
583 1 48 LEU HG 1 49 ALA H 2.000 . 5.500 3.292 2.370 4.736 . 0 0 "[ . 1 . 2]" 1
584 1 48 LEU QD 1 49 ALA H 2.000 . 5.500 3.303 2.715 3.710 . 0 0 "[ . 1 . 2]" 1
585 1 50 ASP H 1 52 ARG H 2.000 . 5.500 4.036 3.562 4.203 . 0 0 "[ . 1 . 2]" 1
586 1 50 ASP H 1 52 ARG QB 2.000 . 6.000 4.641 4.067 4.895 . 0 0 "[ . 1 . 2]" 1
587 1 50 ASP H 1 52 ARG QG 2.000 . 6.000 4.867 4.460 5.322 . 0 0 "[ . 1 . 2]" 1
588 1 48 LEU QD 1 50 ASP H 2.000 . 7.000 3.776 3.080 4.908 . 0 0 "[ . 1 . 2]" 1
589 1 50 ASP H 1 50 ASP QB 2.000 . 5.000 2.480 2.291 2.740 . 0 0 "[ . 1 . 2]" 1
590 1 50 ASP H 1 51 ALA H 2.000 . 5.000 2.575 2.425 2.812 . 0 0 "[ . 1 . 2]" 1
591 1 50 ASP H 1 51 ALA MB 2.000 . 6.000 4.794 4.604 4.938 . 0 0 "[ . 1 . 2]" 1
592 1 49 ALA HA 1 50 ASP H 2.000 . 3.600 3.573 3.485 3.592 . 0 0 "[ . 1 . 2]" 1
593 1 49 ALA MB 1 50 ASP H 2.000 . 5.500 2.040 1.831 2.272 . 0 0 "[ . 1 . 2]" 1
594 1 49 ALA MB 1 51 ALA H 2.000 . 7.000 4.137 3.669 4.396 . 0 0 "[ . 1 . 2]" 1
595 1 51 ALA H 1 52 ARG QB 2.000 . 6.000 3.663 3.524 3.885 . 0 0 "[ . 1 . 2]" 1
596 1 51 ALA H 1 52 ARG HA 2.000 . 5.500 4.491 4.438 4.580 . 0 0 "[ . 1 . 2]" 1
597 1 51 ALA MB 1 65 ILE MG 2.000 . 6.000 3.848 3.828 3.927 . 0 0 "[ . 1 . 2]" 1
598 1 50 ASP QB 1 51 ALA MB 2.000 . 6.000 3.307 3.177 3.478 . 0 0 "[ . 1 . 2]" 1
599 1 51 ALA H 1 51 ALA MB 2.000 . 5.000 2.860 2.662 2.883 . 0 0 "[ . 1 . 2]" 1
600 1 50 ASP HA 1 51 ALA H 2.000 . 3.600 3.576 3.573 3.579 . 0 0 "[ . 1 . 2]" 1
601 1 50 ASP QB 1 51 ALA H 2.000 . 5.000 2.675 2.408 3.276 . 0 0 "[ . 1 . 2]" 1
602 1 51 ALA H 1 52 ARG H 2.000 . 3.600 1.866 1.734 2.048 0.066 19 0 "[ . 1 . 2]" 1
603 1 48 LEU QD 1 52 ARG H 2.000 . 7.000 3.968 3.687 4.527 . 0 0 "[ . 1 . 2]" 1
604 1 52 ARG HA 1 64 LYS HA 2.000 . 5.000 3.046 2.764 3.490 . 0 0 "[ . 1 . 2]" 1
605 1 52 ARG HA 1 64 LYS QG 2.000 . 5.000 4.012 3.756 4.341 . 0 0 "[ . 1 . 2]" 1
606 1 52 ARG H 1 52 ARG QB 2.000 . 5.000 2.543 2.354 2.720 . 0 0 "[ . 1 . 2]" 1
607 1 52 ARG H 1 52 ARG QG 2.000 . 5.500 2.057 1.782 3.286 0.018 5 0 "[ . 1 . 2]" 1
608 1 52 ARG H 1 52 ARG QD 2.000 . 5.500 3.761 1.720 4.253 0.080 19 0 "[ . 1 . 2]" 1
609 1 51 ALA HA 1 52 ARG H 2.000 . 5.000 3.528 3.506 3.558 . 0 0 "[ . 1 . 2]" 1
610 1 51 ALA MB 1 52 ARG H 2.000 . 5.500 2.716 2.547 2.822 . 0 0 "[ . 1 . 2]" 1
611 1 53 TYR H 1 63 LEU H 2.000 . 5.000 2.775 2.392 3.049 . 0 0 "[ . 1 . 2]" 1
612 1 53 TYR H 1 63 LEU HA 2.000 . 5.500 4.952 4.697 5.373 . 0 0 "[ . 1 . 2]" 1
613 1 53 TYR H 1 63 LEU QB 2.000 . 6.000 3.821 3.176 5.167 . 0 0 "[ . 1 . 2]" 1
614 1 53 TYR H 1 63 LEU QD 2.000 . 6.500 4.012 2.299 4.844 . 0 0 "[ . 1 . 2]" 1
615 1 53 TYR H 1 63 LEU HG 2.000 . 5.500 5.106 4.003 5.538 0.038 17 0 "[ . 1 . 2]" 1
616 1 53 TYR H 1 62 THR HA 2.000 . 5.000 4.544 4.286 4.774 . 0 0 "[ . 1 . 2]" 1
617 1 53 TYR H 1 62 THR HG1 2.000 . 5.500 4.293 3.906 4.442 . 0 0 "[ . 1 . 2]" 1
618 1 53 TYR H 1 62 THR HB 2.000 . 5.000 3.758 3.414 3.976 . 0 0 "[ . 1 . 2]" 1
619 1 53 TYR H 1 64 LYS HA 2.000 . 5.500 4.194 3.730 4.480 . 0 0 "[ . 1 . 2]" 1
620 1 53 TYR H 1 65 ILE MG 2.000 . 6.000 4.542 4.197 4.803 . 0 0 "[ . 1 . 2]" 1
621 1 53 TYR H 1 53 TYR QB 2.000 . 5.000 2.540 2.330 2.698 . 0 0 "[ . 1 . 2]" 1
622 1 52 ARG HA 1 53 TYR H 2.000 . 3.600 2.339 2.207 2.514 . 0 0 "[ . 1 . 2]" 1
623 1 52 ARG QB 1 53 TYR H 2.000 . 5.000 2.725 2.299 3.221 . 0 0 "[ . 1 . 2]" 1
624 1 52 ARG QG 1 53 TYR H 2.000 . 5.000 4.014 3.690 4.566 . 0 0 "[ . 1 . 2]" 1
625 1 52 ARG QD 1 53 TYR H 2.000 . 5.500 4.669 3.621 4.921 . 0 0 "[ . 1 . 2]" 1
626 1 53 TYR H 1 54 CYS H 2.000 . 5.500 4.462 4.345 4.560 . 0 0 "[ . 1 . 2]" 1
627 1 46 THR HA 1 54 CYS H 2.000 . 5.000 4.843 4.439 5.031 0.031 9 0 "[ . 1 . 2]" 1
628 1 46 THR HB 1 54 CYS H 2.000 . 5.500 5.237 4.804 5.543 0.043 19 0 "[ . 1 . 2]" 1
629 1 46 THR MG 1 54 CYS H 2.000 . 5.000 3.276 2.459 4.050 . 0 0 "[ . 1 . 2]" 1
630 1 47 PRO HA 1 54 CYS H 2.000 . 5.000 4.282 4.003 4.655 . 0 0 "[ . 1 . 2]" 1
631 1 45 LEU HA 1 54 CYS H 2.000 . 5.000 4.255 3.726 4.491 . 0 0 "[ . 1 . 2]" 1
632 1 45 LEU QB 1 54 CYS H 2.000 . 5.000 4.199 3.555 4.390 . 0 0 "[ . 1 . 2]" 1
633 1 54 CYS HA 1 62 THR HA 2.000 . 5.000 2.337 2.317 2.379 . 0 0 "[ . 1 . 2]" 1
634 1 54 CYS HA 1 62 THR HB 2.000 . 5.500 3.775 3.295 4.120 . 0 0 "[ . 1 . 2]" 1
635 1 54 CYS HA 1 62 THR MG 2.000 . 5.500 2.654 2.307 3.102 . 0 0 "[ . 1 . 2]" 1
636 1 54 CYS QB 1 61 GLN H 2.000 . 6.500 5.123 4.295 5.770 . 0 0 "[ . 1 . 2]" 1
637 1 54 CYS QB 1 62 THR MG 2.000 . 5.500 2.686 2.188 3.509 . 0 0 "[ . 1 . 2]" 1
638 1 54 CYS QB 1 62 THR HB 2.000 . 5.500 4.534 4.326 4.845 . 0 0 "[ . 1 . 2]" 1
639 1 54 CYS QB 1 59 PRO QB 2.000 . 6.000 4.294 3.802 4.522 . 0 0 "[ . 1 . 2]" 1
640 1 54 CYS QB 1 59 PRO HA 2.000 . 5.500 2.865 2.407 3.313 . 0 0 "[ . 1 . 2]" 1
641 1 54 CYS H 1 54 CYS QB 2.000 . 5.000 2.621 2.335 2.829 . 0 0 "[ . 1 . 2]" 1
642 1 53 TYR HA 1 54 CYS H 2.000 . 3.600 2.281 2.204 2.510 . 0 0 "[ . 1 . 2]" 1
643 1 53 TYR QB 1 54 CYS H 2.000 . 5.000 2.875 2.254 3.177 . 0 0 "[ . 1 . 2]" 1
644 1 54 CYS H 1 55 LEU H 2.000 . 5.000 4.394 4.121 4.544 . 0 0 "[ . 1 . 2]" 1
645 1 55 LEU H 1 62 THR HA 2.000 . 5.000 3.264 3.210 3.362 . 0 0 "[ . 1 . 2]" 1
646 1 55 LEU H 1 61 GLN H 2.000 . 5.500 4.920 4.716 5.094 . 0 0 "[ . 1 . 2]" 1
647 1 55 LEU H 1 61 GLN QB 2.000 . 5.500 3.553 3.384 3.697 . 0 0 "[ . 1 . 2]" 1
648 1 55 LEU H 1 61 GLN QG 2.000 . 6.000 5.368 5.279 5.422 . 0 0 "[ . 1 . 2]" 1
649 1 55 LEU H 1 62 THR MG 2.000 . 5.500 4.123 3.917 4.354 . 0 0 "[ . 1 . 2]" 1
650 1 55 LEU H 1 63 LEU H 2.000 . 5.500 4.939 4.367 5.317 . 0 0 "[ . 1 . 2]" 1
651 1 55 LEU H 1 63 LEU QB 2.000 . 6.500 5.163 4.832 5.614 . 0 0 "[ . 1 . 2]" 1
652 1 55 LEU H 1 58 ASN H 2.000 . 5.500 3.884 3.589 4.198 . 0 0 "[ . 1 . 2]" 1
653 1 55 LEU H 1 59 PRO HA 2.000 . 5.500 5.440 5.253 5.518 0.018 9 0 "[ . 1 . 2]" 1
654 1 55 LEU H 1 55 LEU QB 2.000 . 3.600 2.782 2.735 2.835 . 0 0 "[ . 1 . 2]" 1
655 1 55 LEU H 1 55 LEU HG 2.000 . 5.000 1.803 1.787 1.832 0.013 4 0 "[ . 1 . 2]" 1
656 1 55 LEU H 1 55 LEU QD 2.000 . 6.000 2.779 2.744 2.815 . 0 0 "[ . 1 . 2]" 1
657 1 54 CYS HA 1 55 LEU H 2.000 . 2.600 2.198 2.182 2.213 . 0 0 "[ . 1 . 2]" 1
658 1 54 CYS QB 1 55 LEU H 2.000 . 5.000 3.481 3.138 3.890 . 0 0 "[ . 1 . 2]" 1
659 1 55 LEU H 1 56 ASN H 2.000 . 5.500 4.609 4.584 4.625 . 0 0 "[ . 1 . 2]" 1
660 1 45 LEU HA 1 56 ASN H 2.000 . 5.500 4.102 3.992 4.179 . 0 0 "[ . 1 . 2]" 1
661 1 44 LYS HA 1 56 ASN H 2.000 . 5.500 5.236 4.641 5.394 . 0 0 "[ . 1 . 2]" 1
662 1 44 LYS QB 1 56 ASN H 2.000 . 5.000 3.384 3.138 4.134 . 0 0 "[ . 1 . 2]" 1
663 1 45 LEU QD 1 56 ASN H 2.000 . 6.500 3.769 3.295 4.006 . 0 0 "[ . 1 . 2]" 1
664 1 44 LYS QB 1 56 ASN HA 2.000 . 5.500 3.948 3.371 4.750 . 0 0 "[ . 1 . 2]" 1
665 1 55 LEU QD 1 56 ASN QB 2.000 . 7.000 2.239 2.114 2.456 . 0 0 "[ . 1 . 2]" 1
666 1 56 ASN H 1 56 ASN QB 2.000 . 5.000 3.121 2.940 3.430 . 0 0 "[ . 1 . 2]" 1
667 1 55 LEU QB 1 56 ASN H 2.000 . 6.000 2.846 2.812 2.884 . 0 0 "[ . 1 . 2]" 1
668 1 55 LEU HG 1 56 ASN H 2.000 . 5.500 4.622 4.577 4.659 . 0 0 "[ . 1 . 2]" 1
669 1 55 LEU QD 1 56 ASN H 2.000 . 5.500 3.508 3.466 3.557 . 0 0 "[ . 1 . 2]" 1
670 1 56 ASN H 1 57 ASN H 2.000 . 5.000 2.695 2.648 2.719 . 0 0 "[ . 1 . 2]" 1
671 1 56 ASN H 1 57 ASN HA 2.000 . 5.000 5.019 4.993 5.036 0.036 20 0 "[ . 1 . 2]" 1
672 1 55 LEU QD 1 57 ASN H 2.000 . 7.000 4.348 4.238 4.571 . 0 0 "[ . 1 . 2]" 1
673 1 46 THR MG 1 57 ASN H 2.000 . 5.500 2.958 2.631 3.730 . 0 0 "[ . 1 . 2]" 1
674 1 57 ASN H 1 57 ASN HA 2.000 . 2.600 2.338 2.332 2.350 . 0 0 "[ . 1 . 2]" 1
675 1 57 ASN H 1 57 ASN QB 2.000 . 5.000 3.143 2.893 3.487 . 0 0 "[ . 1 . 2]" 1
676 1 57 ASN H 1 58 ASN H 2.000 . 3.600 2.779 2.679 2.943 . 0 0 "[ . 1 . 2]" 1
677 1 56 ASN HA 1 57 ASN H 2.000 . 3.600 3.131 2.991 3.181 . 0 0 "[ . 1 . 2]" 1
678 1 58 ASN H 1 59 PRO QD 2.000 . 5.000 3.528 3.441 3.566 . 0 0 "[ . 1 . 2]" 1
679 1 55 LEU QB 1 58 ASN H 2.000 . 6.000 5.204 5.047 5.368 . 0 0 "[ . 1 . 2]" 1
680 1 55 LEU HG 1 58 ASN H 2.000 . 5.500 4.273 3.992 4.620 . 0 0 "[ . 1 . 2]" 1
681 1 55 LEU QD 1 58 ASN H 2.000 . 6.500 4.069 3.921 4.305 . 0 0 "[ . 1 . 2]" 1
682 1 56 ASN H 1 58 ASN H 2.000 . 5.500 4.744 4.657 4.807 . 0 0 "[ . 1 . 2]" 1
683 1 56 ASN QB 1 58 ASN H 3.000 2.500 6.500 3.528 3.473 3.631 . 0 0 "[ . 1 . 2]" 1
684 1 56 ASN HA 1 58 ASN H 3.000 2.500 6.500 4.900 4.728 4.969 . 0 0 "[ . 1 . 2]" 1
685 1 58 ASN QB 1 61 GLN QB 2.000 . 6.000 3.086 2.820 3.252 . 0 0 "[ . 1 . 2]" 1
686 1 58 ASN QB 1 61 GLN QG 2.000 . 5.500 2.721 2.464 2.995 . 0 0 "[ . 1 . 2]" 1
687 1 58 ASN H 1 58 ASN QB 2.000 . 3.600 2.738 2.697 2.779 . 0 0 "[ . 1 . 2]" 1
688 1 57 ASN HA 1 58 ASN H 2.000 . 3.600 2.827 2.807 2.840 . 0 0 "[ . 1 . 2]" 1
689 1 57 ASN QB 1 58 ASN H 2.000 . 5.000 3.913 3.865 4.082 . 0 0 "[ . 1 . 2]" 1
690 1 59 PRO HA 1 62 THR MG 2.000 . 5.500 2.161 2.081 2.324 . 0 0 "[ . 1 . 2]" 1
691 1 58 ASN HA 1 59 PRO QD 2.000 . 6.000 2.125 2.113 2.136 . 0 0 "[ . 1 . 2]" 1
692 1 59 PRO QD 1 60 THR MG 2.000 . 6.500 3.546 3.497 3.602 . 0 0 "[ . 1 . 2]" 1
693 1 58 ASN HA 1 60 THR H 2.000 . 5.000 3.412 3.373 3.434 . 0 0 "[ . 1 . 2]" 1
694 1 58 ASN QB 1 60 THR H 2.000 . 6.000 2.909 2.850 2.959 . 0 0 "[ . 1 . 2]" 1
695 1 60 THR HA 1 62 THR H 2.000 . 5.800 4.267 4.100 4.484 . 0 0 "[ . 1 . 2]" 1
696 1 58 ASN HA 1 60 THR MG 2.000 . 5.500 3.265 3.202 3.299 . 0 0 "[ . 1 . 2]" 1
697 1 58 ASN H 1 60 THR MG 2.000 . 5.500 4.529 4.508 4.553 . 0 0 "[ . 1 . 2]" 1
698 1 60 THR MG 1 61 GLN QG 2.000 . 5.500 2.222 2.199 2.245 . 0 0 "[ . 1 . 2]" 1
699 1 60 THR MG 1 61 GLN QB 2.000 . 5.500 3.585 3.401 3.750 . 0 0 "[ . 1 . 2]" 1
700 1 60 THR MG 1 61 GLN HA 2.000 . 5.500 4.179 4.025 4.386 . 0 0 "[ . 1 . 2]" 1
701 1 60 THR H 1 60 THR MG 2.000 . 5.000 1.738 1.726 1.748 0.074 14 0 "[ . 1 . 2]" 1
702 1 59 PRO HA 1 60 THR H 2.000 . 3.600 3.392 3.367 3.419 . 0 0 "[ . 1 . 2]" 1
703 1 59 PRO QB 1 60 THR H 2.000 . 5.500 3.272 3.192 3.340 . 0 0 "[ . 1 . 2]" 1
704 1 59 PRO QG 1 60 THR H 2.000 . 6.000 4.318 4.268 4.364 . 0 0 "[ . 1 . 2]" 1
705 1 60 THR H 1 61 GLN H 2.000 . 2.600 2.422 2.348 2.488 . 0 0 "[ . 1 . 2]" 1
706 1 60 THR H 1 61 GLN HA 2.000 . 5.500 5.160 5.097 5.201 . 0 0 "[ . 1 . 2]" 1
707 1 60 THR H 1 61 GLN QB 2.000 . 5.500 4.699 4.534 4.801 . 0 0 "[ . 1 . 2]" 1
708 1 59 PRO HA 1 61 GLN H 2.000 . 5.000 4.206 3.607 4.539 . 0 0 "[ . 1 . 2]" 1
709 1 58 ASN QB 1 61 GLN H 2.000 . 6.000 2.837 2.640 3.205 . 0 0 "[ . 1 . 2]" 1
710 1 55 LEU QD 1 61 GLN H 2.000 . 6.500 4.197 4.083 4.320 . 0 0 "[ . 1 . 2]" 1
711 1 55 LEU HG 1 61 GLN H 2.000 . 5.500 4.501 4.382 4.622 . 0 0 "[ . 1 . 2]" 1
712 1 54 CYS HA 1 61 GLN H 2.000 . 6.000 5.221 4.838 5.486 . 0 0 "[ . 1 . 2]" 1
713 1 58 ASN HA 1 61 GLN QG 2.000 . 6.500 5.312 5.066 5.558 . 0 0 "[ . 1 . 2]" 1
714 1 55 LEU QD 1 61 GLN QG 2.000 . 6.000 2.971 2.634 3.267 . 0 0 "[ . 1 . 2]" 1
715 1 55 LEU HG 1 61 GLN QG 2.000 . 5.500 4.235 4.153 4.323 . 0 0 "[ . 1 . 2]" 1
716 1 61 GLN H 1 61 GLN QB 2.000 . 5.000 2.635 2.482 2.787 . 0 0 "[ . 1 . 2]" 1
717 1 61 GLN H 1 61 GLN QG 2.000 . 5.000 2.340 2.137 2.745 . 0 0 "[ . 1 . 2]" 1
718 1 60 THR HA 1 61 GLN H 2.000 . 5.000 3.514 3.398 3.562 . 0 0 "[ . 1 . 2]" 1
719 1 60 THR HB 1 61 GLN H 2.000 . 5.000 4.122 4.009 4.400 . 0 0 "[ . 1 . 2]" 1
720 1 60 THR MG 1 61 GLN H 2.000 . 5.500 1.967 1.773 2.533 0.027 12 0 "[ . 1 . 2]" 1
721 1 61 GLN H 1 62 THR MG 2.000 . 5.500 3.470 3.081 3.693 . 0 0 "[ . 1 . 2]" 1
722 1 54 CYS HA 1 62 THR H 2.000 . 5.500 4.832 4.730 4.923 . 0 0 "[ . 1 . 2]" 1
723 1 55 LEU QD 1 62 THR H 2.000 . 7.000 4.598 4.545 4.706 . 0 0 "[ . 1 . 2]" 1
724 1 55 LEU HG 1 62 THR H 2.000 . 6.000 5.360 5.307 5.437 . 0 0 "[ . 1 . 2]" 1
725 1 55 LEU H 1 62 THR H 2.000 . 5.500 5.310 5.230 5.373 . 0 0 "[ . 1 . 2]" 1
726 1 54 CYS QB 1 62 THR HA 2.000 . 5.500 3.998 3.773 4.253 . 0 0 "[ . 1 . 2]" 1
727 1 55 LEU QD 1 62 THR HA 2.000 . 5.500 3.718 3.637 3.825 . 0 0 "[ . 1 . 2]" 1
728 1 55 LEU HG 1 62 THR HA 2.000 . 5.800 4.131 4.098 4.200 . 0 0 "[ . 1 . 2]" 1
729 1 55 LEU QB 1 62 THR HA 2.000 . 6.000 5.087 4.943 5.206 . 0 0 "[ . 1 . 2]" 1
730 1 55 LEU HG 1 62 THR MG 2.000 . 6.500 4.942 4.801 5.074 . 0 0 "[ . 1 . 2]" 1
731 1 59 PRO QB 1 62 THR MG 2.000 . 5.500 3.196 3.090 3.411 . 0 0 "[ . 1 . 2]" 1
732 1 62 THR H 1 62 THR MG 2.000 . 5.500 2.380 1.884 2.670 . 0 0 "[ . 1 . 2]" 1
733 1 61 GLN H 1 62 THR H 2.000 . 5.000 3.506 3.258 3.616 . 0 0 "[ . 1 . 2]" 1
734 1 61 GLN HA 1 62 THR H 2.000 . 3.600 2.576 2.558 2.603 . 0 0 "[ . 1 . 2]" 1
735 1 61 GLN QB 1 62 THR H 2.000 . 5.000 3.921 3.917 3.929 . 0 0 "[ . 1 . 2]" 1
736 1 61 GLN QG 1 62 THR H 2.000 . 5.500 4.652 4.502 4.853 . 0 0 "[ . 1 . 2]" 1
737 1 62 THR H 1 63 LEU H 2.000 . 5.000 4.568 4.532 4.603 . 0 0 "[ . 1 . 2]" 1
738 1 53 TYR QB 1 63 LEU H 2.000 . 5.500 3.666 3.202 4.200 . 0 0 "[ . 1 . 2]" 1
739 1 54 CYS HA 1 63 LEU H 2.000 . 5.000 3.904 3.490 4.167 . 0 0 "[ . 1 . 2]" 1
740 1 54 CYS QB 1 63 LEU H 2.000 . 6.500 5.377 5.075 5.802 . 0 0 "[ . 1 . 2]" 1
741 1 52 ARG HA 1 63 LEU H 2.000 . 5.000 4.484 3.939 4.986 . 0 0 "[ . 1 . 2]" 1
742 1 63 LEU H 1 63 LEU QB 2.000 . 5.000 2.656 2.294 3.160 . 0 0 "[ . 1 . 2]" 1
743 1 63 LEU H 1 63 LEU HG 2.000 . 5.500 4.323 3.523 4.747 . 0 0 "[ . 1 . 2]" 1
744 1 63 LEU H 1 63 LEU QD 2.000 . 5.500 3.117 1.713 3.863 0.087 1 0 "[ . 1 . 2]" 1
745 1 62 THR HA 1 63 LEU H 2.000 . 2.600 2.421 2.190 2.607 0.007 10 0 "[ . 1 . 2]" 1
746 1 62 THR HB 1 63 LEU H 2.000 . 3.600 2.547 2.088 3.069 . 0 0 "[ . 1 . 2]" 1
747 1 62 THR MG 1 63 LEU H 2.000 . 5.000 3.766 3.480 4.196 . 0 0 "[ . 1 . 2]" 1
748 1 33 GLU QB 1 64 LYS H 2.000 . 5.500 4.623 3.984 4.854 . 0 0 "[ . 1 . 2]" 1
749 1 32 ILE MG 1 64 LYS H 2.000 . 6.000 3.451 2.990 4.344 . 0 0 "[ . 1 . 2]" 1
750 1 32 ILE HA 1 64 LYS H 2.000 . 5.500 4.823 4.487 5.278 . 0 0 "[ . 1 . 2]" 1
751 1 64 LYS H 1 64 LYS QB 2.000 . 5.000 2.492 2.412 2.594 . 0 0 "[ . 1 . 2]" 1
752 1 64 LYS H 1 64 LYS QD 2.000 . 5.000 4.373 4.169 4.562 . 0 0 "[ . 1 . 2]" 1
753 1 64 LYS H 1 64 LYS QG 2.000 . 5.500 2.873 2.415 4.072 . 0 0 "[ . 1 . 2]" 1
754 1 63 LEU HA 1 64 LYS H 2.000 . 3.600 2.328 2.234 2.510 . 0 0 "[ . 1 . 2]" 1
755 1 63 LEU QB 1 64 LYS H 2.000 . 5.000 3.212 2.404 3.662 . 0 0 "[ . 1 . 2]" 1
756 1 63 LEU QD 1 64 LYS H 2.000 . 5.500 3.224 2.820 3.912 . 0 0 "[ . 1 . 2]" 1
757 1 64 LYS H 1 65 ILE H 2.000 . 5.500 4.491 4.416 4.577 . 0 0 "[ . 1 . 2]" 1
758 1 64 LYS QB 1 65 ILE H 2.000 . 5.500 3.130 2.889 3.778 . 0 0 "[ . 1 . 2]" 1
759 1 52 ARG HA 1 65 ILE H 2.000 . 5.000 3.847 3.450 4.511 . 0 0 "[ . 1 . 2]" 1
760 1 32 ILE HA 1 65 ILE MG 2.000 . 6.000 4.432 4.015 4.829 . 0 0 "[ . 1 . 2]" 1
761 1 63 LEU HG 1 65 ILE MG 2.000 . 6.500 4.337 3.563 4.903 . 0 0 "[ . 1 . 2]" 1
762 1 63 LEU QB 1 65 ILE MG 2.000 . 7.000 4.437 4.005 5.081 . 0 0 "[ . 1 . 2]" 1
763 1 65 ILE MG 1 68 ALA H 2.000 . 6.000 4.939 4.925 4.964 . 0 0 "[ . 1 . 2]" 1
764 1 65 ILE H 1 65 ILE QG 2.000 . 5.000 1.798 1.761 1.874 0.039 10 0 "[ . 1 . 2]" 1
765 1 65 ILE H 1 65 ILE MG 2.000 . 5.500 2.598 2.337 2.834 . 0 0 "[ . 1 . 2]" 1
766 1 65 ILE H 1 65 ILE MD 2.000 . 6.000 3.560 3.449 3.630 . 0 0 "[ . 1 . 2]" 1
767 1 64 LYS HA 1 65 ILE H 2.000 . 2.600 2.222 2.205 2.261 . 0 0 "[ . 1 . 2]" 1
768 1 64 LYS QG 1 65 ILE H 2.000 . 5.500 3.947 2.652 4.244 . 0 0 "[ . 1 . 2]" 1
769 1 64 LYS QD 1 65 ILE H 2.000 . 5.500 4.887 4.708 4.945 . 0 0 "[ . 1 . 2]" 1
770 1 65 ILE H 1 66 ARG H 2.000 . 5.500 4.587 4.517 4.613 . 0 0 "[ . 1 . 2]" 1
771 1 32 ILE HA 1 66 ARG H 2.000 . 5.500 3.446 3.194 3.575 . 0 0 "[ . 1 . 2]" 1
772 1 32 ILE MD 1 66 ARG H 2.000 . 7.000 3.203 2.889 3.612 . 0 0 "[ . 1 . 2]" 1
773 1 30 ALA HA 1 66 ARG H 2.000 . 6.000 5.363 5.209 5.551 . 0 0 "[ . 1 . 2]" 1
774 1 30 ALA MB 1 66 ARG H 2.000 . 6.000 3.949 3.702 4.316 . 0 0 "[ . 1 . 2]" 1
775 1 66 ARG H 1 66 ARG QB 2.000 . 5.000 2.394 2.301 2.496 . 0 0 "[ . 1 . 2]" 1
776 1 66 ARG H 1 66 ARG QG 2.000 . 5.500 3.947 2.436 4.089 . 0 0 "[ . 1 . 2]" 1
777 1 65 ILE HA 1 66 ARG H 2.000 . 3.600 2.234 2.207 2.255 . 0 0 "[ . 1 . 2]" 1
778 1 65 ILE HB 1 66 ARG H 2.000 . 5.500 3.051 2.948 3.217 . 0 0 "[ . 1 . 2]" 1
779 1 65 ILE MG 1 66 ARG H 2.000 . 5.500 3.799 3.731 3.972 . 0 0 "[ . 1 . 2]" 1
780 1 65 ILE QG 1 66 ARG H 2.000 . 6.500 4.082 3.934 4.231 . 0 0 "[ . 1 . 2]" 1
781 1 66 ARG H 1 67 ASN H 2.000 . 5.000 2.053 1.942 2.238 . 0 0 "[ . 1 . 2]" 1
782 1 31 GLU HA 1 67 ASN H 2.000 . 5.500 5.220 5.073 5.407 . 0 0 "[ . 1 . 2]" 1
783 1 65 ILE HB 1 67 ASN H 2.000 . 5.500 3.297 3.044 3.460 . 0 0 "[ . 1 . 2]" 1
784 1 65 ILE HA 1 67 ASN H 2.000 . 5.500 3.873 3.754 4.014 . 0 0 "[ . 1 . 2]" 1
785 1 65 ILE MG 1 67 ASN H 2.000 . 5.500 4.480 4.387 4.592 . 0 0 "[ . 1 . 2]" 1
786 1 65 ILE QG 1 67 ASN H 2.000 . 5.500 4.603 4.035 4.805 . 0 0 "[ . 1 . 2]" 1
787 1 67 ASN H 1 67 ASN QB 2.000 . 5.000 3.015 2.931 3.473 . 0 0 "[ . 1 . 2]" 1
788 1 66 ARG HA 1 67 ASN H 2.000 . 5.000 3.514 3.479 3.545 . 0 0 "[ . 1 . 2]" 1
789 1 66 ARG QB 1 67 ASN H 2.000 . 5.000 2.765 2.678 2.878 . 0 0 "[ . 1 . 2]" 1
790 1 66 ARG QG 1 67 ASN H 2.000 . 6.000 3.876 3.513 4.605 . 0 0 "[ . 1 . 2]" 1
791 1 66 ARG QD 1 67 ASN H 2.000 . 5.500 4.755 4.417 4.932 . 0 0 "[ . 1 . 2]" 1
792 1 67 ASN H 1 68 ALA H 2.000 . 5.000 3.617 3.537 3.712 . 0 0 "[ . 1 . 2]" 1
793 1 30 ALA MB 1 68 ALA HA 2.000 . 5.500 2.101 2.075 2.181 . 0 0 "[ . 1 . 2]" 1
794 1 65 ILE MG 1 68 ALA HA 2.000 . 6.500 4.836 4.576 5.002 . 0 0 "[ . 1 . 2]" 1
795 1 65 ILE MG 1 68 ALA MB 2.000 . 6.000 3.499 3.373 3.659 . 0 0 "[ . 1 . 2]" 1
796 1 65 ILE MD 1 68 ALA MB 2.000 . 6.000 3.129 2.466 3.770 . 0 0 "[ . 1 . 2]" 1
797 1 68 ALA H 1 68 ALA MB 2.000 . 5.000 2.278 2.235 2.312 . 0 0 "[ . 1 . 2]" 1
798 1 67 ASN HA 1 68 ALA H 2.000 . 3.600 2.236 2.217 2.254 . 0 0 "[ . 1 . 2]" 1
799 1 67 ASN QB 1 68 ALA H 2.000 . 5.000 3.934 3.617 4.012 . 0 0 "[ . 1 . 2]" 1
800 1 68 ALA H 1 69 THR H 2.000 . 5.500 4.651 4.637 4.667 . 0 0 "[ . 1 . 2]" 1
801 1 29 ILE H 1 69 THR H 2.000 . 5.500 2.979 2.883 3.066 . 0 0 "[ . 1 . 2]" 1
802 1 29 ILE HB 1 69 THR H 2.000 . 5.500 4.172 4.045 4.300 . 0 0 "[ . 1 . 2]" 1
803 1 29 ILE MG 1 69 THR H 2.000 . 5.500 4.466 4.443 4.491 . 0 0 "[ . 1 . 2]" 1
804 1 28 MET HA 1 69 THR H 2.000 . 5.500 4.557 4.188 4.824 . 0 0 "[ . 1 . 2]" 1
805 1 28 MET QB 1 69 THR H 2.000 . 5.500 3.351 3.051 4.486 . 0 0 "[ . 1 . 2]" 1
806 1 69 THR HB 1 75 ARG QD 2.000 . 5.500 4.069 2.093 4.667 . 0 0 "[ . 1 . 2]" 1
807 1 69 THR MG 1 75 ARG QB 2.000 . 6.500 2.703 2.224 3.611 . 0 0 "[ . 1 . 2]" 1
808 1 69 THR H 1 69 THR MG 2.000 . 5.500 3.401 2.481 3.979 . 0 0 "[ . 1 . 2]" 1
809 1 68 ALA HA 1 69 THR H 2.000 . 3.600 2.345 2.326 2.364 . 0 0 "[ . 1 . 2]" 1
810 1 68 ALA MB 1 69 THR H 2.000 . 5.500 2.624 2.582 2.678 . 0 0 "[ . 1 . 2]" 1
811 1 28 MET QB 1 70 HIS HA 2.000 . 6.000 3.130 2.590 3.840 . 0 0 "[ . 1 . 2]" 1
812 1 70 HIS H 1 70 HIS QB 2.000 . 5.800 2.470 2.279 2.599 . 0 0 "[ . 1 . 2]" 1
813 1 28 MET HA 1 71 TYR H 2.000 . 3.600 2.207 1.949 2.711 . 0 0 "[ . 1 . 2]" 1
814 1 28 MET QG 1 71 TYR H 2.000 . 5.500 3.905 3.191 4.885 . 0 0 "[ . 1 . 2]" 1
815 1 69 THR MG 1 71 TYR H 2.000 . 6.000 3.570 2.466 4.818 . 0 0 "[ . 1 . 2]" 1
816 1 29 ILE QG 1 71 TYR H 2.000 . 5.500 3.607 3.310 3.909 . 0 0 "[ . 1 . 2]" 1
817 1 29 ILE MD 1 71 TYR H 2.000 . 5.500 3.960 3.777 4.059 . 0 0 "[ . 1 . 2]" 1
818 1 29 ILE H 1 71 TYR H 2.000 . 5.500 2.050 1.876 2.418 . 0 0 "[ . 1 . 2]" 1
819 1 71 TYR H 1 75 ARG QB 2.000 . 5.500 4.848 4.765 4.930 . 0 0 "[ . 1 . 2]" 1
820 1 71 TYR HA 1 76 TRP QB 2.000 . 6.000 4.016 3.532 4.651 . 0 0 "[ . 1 . 2]" 1
821 1 71 TYR H 1 71 TYR QB 2.000 . 3.600 2.902 2.875 2.921 . 0 0 "[ . 1 . 2]" 1
822 1 70 HIS HA 1 71 TYR H 2.000 . 3.600 2.754 2.665 2.970 . 0 0 "[ . 1 . 2]" 1
823 1 70 HIS QB 1 71 TYR H 2.000 . 5.000 3.902 3.795 3.959 . 0 0 "[ . 1 . 2]" 1
824 1 70 HIS QB 1 72 SER HA 2.000 . 5.500 4.588 4.311 4.745 . 0 0 "[ . 1 . 2]" 1
825 1 72 SER QB 1 73 SER HA 2.000 . 5.500 4.718 4.491 4.934 . 0 0 "[ . 1 . 2]" 1
826 1 73 SER QB 1 77 THR HG1 2.000 . 6.000 2.905 2.362 3.903 . 0 0 "[ . 1 . 2]" 1
827 1 74 GLU HA 1 77 THR MG 2.000 . 6.000 3.886 3.620 4.228 . 0 0 "[ . 1 . 2]" 1
828 1 74 GLU HA 1 77 THR HB 2.000 . 5.500 4.792 4.306 5.506 0.006 11 0 "[ . 1 . 2]" 1
829 1 74 GLU HA 1 78 ASN H 2.000 . 5.500 3.918 3.616 4.240 . 0 0 "[ . 1 . 2]" 1
830 1 74 GLU H 1 76 TRP H 2.000 . 5.500 4.026 3.596 4.376 . 0 0 "[ . 1 . 2]" 1
831 1 72 SER HA 1 74 GLU H 2.000 . 5.500 3.942 3.522 4.439 . 0 0 "[ . 1 . 2]" 1
832 1 72 SER QB 1 74 GLU H 2.000 . 5.500 2.666 2.316 3.492 . 0 0 "[ . 1 . 2]" 1
833 1 74 GLU H 1 74 GLU QB 2.000 . 5.000 2.358 2.243 2.532 . 0 0 "[ . 1 . 2]" 1
834 1 74 GLU H 1 74 GLU QG 2.000 . 5.000 2.989 1.928 4.089 . 0 0 "[ . 1 . 2]" 1
835 1 73 SER HA 1 74 GLU H 2.000 . 5.500 3.465 3.366 3.566 . 0 0 "[ . 1 . 2]" 1
836 1 73 SER QB 1 74 GLU H 2.000 . 5.500 3.145 2.572 3.745 . 0 0 "[ . 1 . 2]" 1
837 1 74 GLU H 1 75 ARG H 2.000 . 5.500 2.600 2.461 2.765 . 0 0 "[ . 1 . 2]" 1
838 1 69 THR MG 1 75 ARG QD 2.000 . 5.500 2.842 2.244 3.888 . 0 0 "[ . 1 . 2]" 1
839 1 75 ARG HA 1 77 THR H 2.000 . 5.000 4.553 4.223 5.005 0.005 11 0 "[ . 1 . 2]" 1
840 1 75 ARG HA 1 78 ASN QB 2.000 . 6.000 2.487 2.325 2.831 . 0 0 "[ . 1 . 2]" 1
841 1 75 ARG HA 1 78 ASN H 2.000 . 5.500 3.417 3.213 3.724 . 0 0 "[ . 1 . 2]" 1
842 1 75 ARG HA 1 79 ALA H 2.000 . 5.500 3.788 3.637 4.071 . 0 0 "[ . 1 . 2]" 1
843 1 71 TYR HA 1 75 ARG QB 2.000 . 5.500 4.122 3.914 4.293 . 0 0 "[ . 1 . 2]" 1
844 1 29 ILE QG 1 75 ARG QB 2.000 . 6.500 4.436 3.724 5.146 . 0 0 "[ . 1 . 2]" 1
845 1 29 ILE MG 1 75 ARG QB 2.000 . 6.500 3.095 2.059 4.249 . 0 0 "[ . 1 . 2]" 1
846 1 75 ARG H 1 75 ARG QB 2.000 . 5.500 2.381 2.247 2.589 . 0 0 "[ . 1 . 2]" 1
847 1 75 ARG H 1 75 ARG QG 2.000 . 5.500 2.903 1.986 4.090 . 0 0 "[ . 1 . 2]" 1
848 1 75 ARG H 1 75 ARG QD 2.000 . 5.500 3.195 1.767 4.479 0.033 10 0 "[ . 1 . 2]" 1
849 1 74 GLU HA 1 75 ARG H 2.000 . 5.000 3.562 3.522 3.588 . 0 0 "[ . 1 . 2]" 1
850 1 74 GLU QB 1 75 ARG H 2.000 . 5.500 2.500 2.232 2.772 . 0 0 "[ . 1 . 2]" 1
851 1 74 GLU QG 1 75 ARG H 2.000 . 6.000 3.967 3.623 4.494 . 0 0 "[ . 1 . 2]" 1
852 1 75 ARG H 1 76 TRP H 2.000 . 3.600 2.584 2.415 2.814 . 0 0 "[ . 1 . 2]" 1
853 1 29 ILE MD 1 76 TRP H 2.000 . 5.500 3.096 2.797 3.242 . 0 0 "[ . 1 . 2]" 1
854 1 29 ILE QG 1 76 TRP H 2.000 . 6.000 5.313 5.032 5.412 . 0 0 "[ . 1 . 2]" 1
855 1 74 GLU HA 1 76 TRP H 2.000 . 5.500 4.680 4.242 5.137 . 0 0 "[ . 1 . 2]" 1
856 1 74 GLU QB 1 76 TRP H 2.000 . 5.500 4.695 4.289 4.919 . 0 0 "[ . 1 . 2]" 1
857 1 29 ILE MG 1 76 TRP HA 2.000 . 5.500 3.872 3.409 4.142 . 0 0 "[ . 1 . 2]" 1
858 1 76 TRP HA 1 79 ALA HA 2.000 . 5.500 5.472 5.235 5.509 0.009 10 0 "[ . 1 . 2]" 1
859 1 76 TRP HA 1 79 ALA MB 2.000 . 5.500 2.576 2.368 2.738 . 0 0 "[ . 1 . 2]" 1
860 1 73 SER HA 1 76 TRP QB 2.000 . 5.500 2.567 2.322 2.971 . 0 0 "[ . 1 . 2]" 1
861 1 29 ILE HB 1 76 TRP QB 2.000 . 5.800 4.948 4.727 5.039 . 0 0 "[ . 1 . 2]" 1
862 1 76 TRP H 1 76 TRP QB 2.000 . 3.600 2.266 2.244 2.282 . 0 0 "[ . 1 . 2]" 1
863 1 75 ARG HA 1 76 TRP H 2.000 . 5.000 3.554 3.491 3.593 . 0 0 "[ . 1 . 2]" 1
864 1 75 ARG QB 1 76 TRP H 2.000 . 5.500 2.547 2.282 2.894 . 0 0 "[ . 1 . 2]" 1
865 1 75 ARG QG 1 76 TRP H 2.000 . 5.500 4.058 3.294 4.666 . 0 0 "[ . 1 . 2]" 1
866 1 76 TRP H 1 77 THR H 2.000 . 3.600 2.695 2.504 2.952 . 0 0 "[ . 1 . 2]" 1
867 1 76 TRP H 1 77 THR HA 2.000 . 5.800 5.343 5.179 5.508 . 0 0 "[ . 1 . 2]" 1
868 1 76 TRP H 1 77 THR MG 2.000 . 5.500 4.186 3.978 4.332 . 0 0 "[ . 1 . 2]" 1
869 1 73 SER HA 1 77 THR H 2.000 . 5.500 3.537 3.009 4.030 . 0 0 "[ . 1 . 2]" 1
870 1 75 ARG H 1 77 THR H 2.000 . 5.500 4.121 3.741 4.534 . 0 0 "[ . 1 . 2]" 1
871 1 75 ARG QB 1 77 THR H 2.000 . 6.000 4.760 4.471 5.137 . 0 0 "[ . 1 . 2]" 1
872 1 77 THR HA 1 81 LYS H 2.000 . 5.500 4.161 3.028 5.474 . 0 0 "[ . 1 . 2]" 1
873 1 76 TRP QB 1 77 THR MG 2.000 . 5.500 2.970 2.869 3.123 . 0 0 "[ . 1 . 2]" 1
874 1 76 TRP HA 1 77 THR MG 2.000 . 6.000 4.796 4.783 4.827 . 0 0 "[ . 1 . 2]" 1
875 1 77 THR H 1 77 THR HB 2.000 . 3.600 3.624 3.616 3.629 0.029 17 0 "[ . 1 . 2]" 1
876 1 77 THR H 1 77 THR MG 2.000 . 3.600 2.157 1.817 2.383 . 0 0 "[ . 1 . 2]" 1
877 1 76 TRP HA 1 77 THR H 2.000 . 3.600 3.559 3.506 3.594 . 0 0 "[ . 1 . 2]" 1
878 1 76 TRP QB 1 77 THR H 2.000 . 3.600 2.556 2.272 2.826 . 0 0 "[ . 1 . 2]" 1
879 1 76 TRP HA 1 78 ASN H 2.000 . 5.000 4.312 4.064 4.552 . 0 0 "[ . 1 . 2]" 1
880 1 78 ASN H 1 80 ASP H 2.000 . 5.500 4.480 4.156 4.784 . 0 0 "[ . 1 . 2]" 1
881 1 78 ASN HA 1 81 LYS H 2.000 . 5.000 4.080 3.653 4.777 . 0 0 "[ . 1 . 2]" 1
882 1 78 ASN HA 1 81 LYS QB 2.000 . 6.000 3.572 2.780 5.369 . 0 0 "[ . 1 . 2]" 1
883 1 78 ASN H 1 78 ASN QB 2.000 . 5.000 2.335 2.310 2.425 . 0 0 "[ . 1 . 2]" 1
884 1 77 THR HA 1 78 ASN H 2.000 . 5.800 3.507 3.466 3.542 . 0 0 "[ . 1 . 2]" 1
885 1 77 THR MG 1 78 ASN H 2.000 . 5.500 3.912 3.795 3.968 . 0 0 "[ . 1 . 2]" 1
886 1 78 ASN H 1 79 ALA HA 2.000 . 5.000 5.019 5.013 5.025 0.025 12 0 "[ . 1 . 2]" 1
887 1 78 ASN H 1 79 ALA MB 2.000 . 6.000 4.043 4.023 4.062 . 0 0 "[ . 1 . 2]" 1
888 1 76 TRP HA 1 79 ALA H 2.000 . 5.500 3.477 3.293 3.593 . 0 0 "[ . 1 . 2]" 1
889 1 79 ALA HA 1 81 LYS H 2.000 . 5.500 4.297 3.432 5.422 . 0 0 "[ . 1 . 2]" 1
890 1 79 ALA H 1 79 ALA MB 2.000 . 5.500 2.250 2.219 2.299 . 0 0 "[ . 1 . 2]" 1
891 1 78 ASN HA 1 79 ALA H 2.000 . 3.600 3.463 3.401 3.503 . 0 0 "[ . 1 . 2]" 1
892 1 78 ASN QB 1 79 ALA H 2.000 . 5.500 2.951 2.817 3.141 . 0 0 "[ . 1 . 2]" 1
893 1 79 ALA H 1 80 ASP H 2.000 . 5.000 2.673 2.535 2.815 . 0 0 "[ . 1 . 2]" 1
894 1 76 TRP HA 1 80 ASP H 2.000 . 3.600 3.588 3.407 3.612 0.012 17 0 "[ . 1 . 2]" 1
895 1 80 ASP H 1 80 ASP QB 2.000 . 5.000 2.299 2.239 2.548 . 0 0 "[ . 1 . 2]" 1
896 1 79 ALA HA 1 80 ASP H 2.000 . 3.600 3.585 3.580 3.589 . 0 0 "[ . 1 . 2]" 1
897 1 79 ALA MB 1 80 ASP H 2.000 . 5.000 2.160 2.051 2.375 . 0 0 "[ . 1 . 2]" 1
898 1 79 ALA MB 1 81 LYS H 2.000 . 5.800 4.260 3.840 4.752 . 0 0 "[ . 1 . 2]" 1
899 1 81 LYS H 1 81 LYS QB 2.000 . 5.500 2.518 2.247 3.316 . 0 0 "[ . 1 . 2]" 1
900 1 81 LYS H 1 81 LYS QG 2.000 . 5.500 3.612 2.060 4.296 . 0 0 "[ . 1 . 2]" 1
901 1 80 ASP QB 1 81 LYS H 2.000 . 5.000 2.802 2.002 3.903 . 0 0 "[ . 1 . 2]" 1
902 1 80 ASP HA 1 81 LYS H 2.000 . 3.600 3.444 2.863 3.589 . 0 0 "[ . 1 . 2]" 1
903 1 80 ASP H 1 81 LYS H 2.000 . 5.500 2.902 2.570 3.264 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 177
_Distance_constraint_stats_list.Viol_total 112.222
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0317
_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 3 TRP 0.145 0.016 12 0 "[ . 1 . 2]"
1 4 TRP 0.561 0.044 19 0 "[ . 1 . 2]"
1 5 VAL 1.112 0.081 6 0 "[ . 1 . 2]"
1 6 LYS 0.013 0.013 2 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 0.933 0.063 11 0 "[ . 1 . 2]"
1 19 VAL 0.144 0.032 15 0 "[ . 1 . 2]"
1 20 VAL 0.013 0.013 2 0 "[ . 1 . 2]"
1 21 LEU 0.032 0.020 2 0 "[ . 1 . 2]"
1 22 GLN 0.561 0.044 19 0 "[ . 1 . 2]"
1 28 MET 0.032 0.020 2 0 "[ . 1 . 2]"
1 30 ALA 0.144 0.032 15 0 "[ . 1 . 2]"
1 31 GLU 1.215 0.088 8 0 "[ . 1 . 2]"
1 32 ILE 0.933 0.063 11 0 "[ . 1 . 2]"
1 43 ASP 1.112 0.081 6 0 "[ . 1 . 2]"
1 44 LYS 1.008 0.101 5 0 "[ . 1 . 2]"
1 45 LEU 0.145 0.016 12 0 "[ . 1 . 2]"
1 46 THR 0.071 0.019 5 0 "[ . 1 . 2]"
1 48 LEU 0.014 0.006 3 0 "[ . 1 . 2]"
1 52 ARG 0.014 0.006 3 0 "[ . 1 . 2]"
1 53 TYR 0.220 0.049 16 0 "[ . 1 . 2]"
1 54 CYS 0.071 0.019 5 0 "[ . 1 . 2]"
1 56 ASN 1.008 0.101 5 0 "[ . 1 . 2]"
1 63 LEU 0.220 0.049 16 0 "[ . 1 . 2]"
1 67 ASN 1.215 0.088 8 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.045 0.013 20 0 "[ . 1 . 2]"
1 74 GLU 0.006 0.005 3 0 "[ . 1 . 2]"
1 75 ARG 0.084 0.014 3 0 "[ . 1 . 2]"
1 76 TRP 0.009 0.006 16 0 "[ . 1 . 2]"
1 77 THR 0.045 0.013 20 0 "[ . 1 . 2]"
1 78 ASN 0.006 0.005 3 0 "[ . 1 . 2]"
1 79 ALA 0.084 0.014 3 0 "[ . 1 . 2]"
1 80 ASP 0.009 0.006 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 TRP H 1 45 LEU O 2.300 . 2.500 1.999 1.793 2.289 0.007 6 0 "[ . 1 . 2]" 2
2 1 3 TRP N 1 45 LEU O 3.000 2.500 3.300 2.918 2.695 3.111 . 0 0 "[ . 1 . 2]" 2
3 1 4 TRP H 1 22 GLN O 2.300 . 2.500 2.426 2.353 2.485 . 0 0 "[ . 1 . 2]" 2
4 1 4 TRP N 1 22 GLN O 3.000 2.500 3.300 3.328 3.311 3.344 0.044 19 0 "[ . 1 . 2]" 2
5 1 5 VAL H 1 43 ASP O 2.300 . 2.500 2.409 2.365 2.457 . 0 0 "[ . 1 . 2]" 2
6 1 5 VAL N 1 43 ASP O 3.000 2.500 3.300 3.356 3.320 3.381 0.081 6 0 "[ . 1 . 2]" 2
7 1 6 LYS H 1 20 VAL O 2.300 . 2.500 1.946 1.787 2.285 0.013 2 0 "[ . 1 . 2]" 2
8 1 6 LYS N 1 20 VAL O 3.000 2.500 3.300 2.899 2.737 3.187 . 0 0 "[ . 1 . 2]" 2
9 1 19 VAL H 1 30 ALA O 2.300 . 2.500 2.320 2.198 2.402 . 0 0 "[ . 1 . 2]" 2
10 1 19 VAL N 1 30 ALA O 3.000 2.500 3.300 3.272 3.104 3.332 0.032 15 0 "[ . 1 . 2]" 2
11 1 7 LYS O 1 20 VAL H 2.300 . 2.500 2.126 2.060 2.218 . 0 0 "[ . 1 . 2]" 2
12 1 7 LYS O 1 20 VAL N 3.000 2.500 3.300 3.103 3.039 3.184 . 0 0 "[ . 1 . 2]" 2
13 1 21 LEU H 1 28 MET O 2.300 . 2.500 2.048 1.788 2.260 0.012 19 0 "[ . 1 . 2]" 2
14 1 21 LEU N 1 28 MET O 3.000 2.500 3.300 2.846 2.664 2.990 . 0 0 "[ . 1 . 2]" 2
15 1 21 LEU O 1 28 MET H 2.300 . 2.500 2.204 1.780 2.313 0.020 2 0 "[ . 1 . 2]" 2
16 1 21 LEU O 1 28 MET N 3.000 2.500 3.300 2.924 2.598 3.046 . 0 0 "[ . 1 . 2]" 2
17 1 19 VAL O 1 30 ALA H 2.300 . 2.500 2.378 2.321 2.481 . 0 0 "[ . 1 . 2]" 2
18 1 19 VAL O 1 30 ALA N 3.000 2.500 3.300 3.239 3.180 3.320 0.020 14 0 "[ . 1 . 2]" 2
19 1 31 GLU H 1 67 ASN O 2.300 . 2.500 2.446 2.425 2.483 . 0 0 "[ . 1 . 2]" 2
20 1 31 GLU N 1 67 ASN O 3.000 2.500 3.300 3.361 3.342 3.388 0.088 8 0 "[ . 1 . 2]" 2
21 1 17 CYS O 1 32 ILE H 2.300 . 2.500 1.756 1.737 1.774 0.063 11 0 "[ . 1 . 2]" 2
22 1 17 CYS O 1 32 ILE N 3.000 2.500 3.300 2.633 2.470 2.673 0.030 5 0 "[ . 1 . 2]" 2
23 1 3 TRP O 1 45 LEU H 2.300 . 2.500 2.378 2.299 2.471 . 0 0 "[ . 1 . 2]" 2
24 1 3 TRP O 1 45 LEU N 3.000 2.500 3.300 3.293 3.221 3.316 0.016 12 0 "[ . 1 . 2]" 2
25 1 46 THR H 1 54 CYS O 2.300 . 2.500 2.079 1.781 2.502 0.019 5 0 "[ . 1 . 2]" 2
26 1 46 THR N 1 54 CYS O 3.000 2.500 3.300 3.004 2.729 3.274 . 0 0 "[ . 1 . 2]" 2
27 1 48 LEU H 1 52 ARG O 2.300 . 2.500 2.205 1.890 2.385 . 0 0 "[ . 1 . 2]" 2
28 1 48 LEU N 1 52 ARG O 3.000 2.500 3.300 3.093 2.819 3.306 0.006 3 0 "[ . 1 . 2]" 2
29 1 46 THR O 1 54 CYS H 2.300 . 2.500 2.083 1.790 2.350 0.010 8 0 "[ . 1 . 2]" 2
30 1 46 THR O 1 54 CYS N 3.000 2.500 3.300 2.999 2.662 3.285 . 0 0 "[ . 1 . 2]" 2
31 1 44 LYS O 1 56 ASN H 2.300 . 2.500 2.482 2.443 2.525 0.025 16 0 "[ . 1 . 2]" 2
32 1 44 LYS O 1 56 ASN N 3.000 2.500 3.300 3.342 3.196 3.401 0.101 5 0 "[ . 1 . 2]" 2
33 1 53 TYR O 1 63 LEU H 2.300 . 2.500 2.187 1.773 2.488 0.027 4 0 "[ . 1 . 2]" 2
34 1 53 TYR O 1 63 LEU N 3.000 2.500 3.300 3.052 2.719 3.349 0.049 16 0 "[ . 1 . 2]" 2
35 1 72 SER O 1 76 TRP H 2.300 . 2.500 2.118 1.895 2.321 . 0 0 "[ . 1 . 2]" 2
36 1 72 SER O 1 76 TRP N 3.000 2.500 3.300 3.059 2.864 3.251 . 0 0 "[ . 1 . 2]" 2
37 1 73 SER O 1 77 THR H 2.300 . 2.500 2.122 1.792 2.484 0.008 17 0 "[ . 1 . 2]" 2
38 1 73 SER O 1 77 THR N 3.000 2.500 3.300 3.002 2.669 3.313 0.013 20 0 "[ . 1 . 2]" 2
39 1 74 GLU O 1 78 ASN H 2.300 . 2.500 2.072 1.795 2.499 0.005 3 0 "[ . 1 . 2]" 2
40 1 74 GLU O 1 78 ASN N 3.000 2.500 3.300 2.851 2.537 3.233 . 0 0 "[ . 1 . 2]" 2
41 1 75 ARG O 1 79 ALA H 2.300 . 2.500 1.900 1.786 2.412 0.014 3 0 "[ . 1 . 2]" 2
42 1 75 ARG O 1 79 ALA N 3.000 2.500 3.300 2.638 2.493 3.148 0.007 20 0 "[ . 1 . 2]" 2
43 1 76 TRP O 1 80 ASP H 2.300 . 2.500 2.206 1.937 2.468 . 0 0 "[ . 1 . 2]" 2
44 1 76 TRP O 1 80 ASP N 3.000 2.500 3.300 3.119 2.896 3.306 0.006 16 0 "[ . 1 . 2]" 2
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