NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444555 |
2khp   |
16264 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khp
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 3
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 101.286
_Distance_constraint_stats_list.Viol_max 0.226
_Distance_constraint_stats_list.Viol_rms 0.0712
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0844
_Distance_constraint_stats_list.Viol_average_violations_only 0.1206
_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 16 CYS 5.064 0.226 10 0 "[ . 1 . 2]"
1 19 CYS 5.064 0.226 10 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 16 CYS SG 1 19 CYS SG . . 2.000 2.110 2.008 2.163 0.163 2 0 "[ . 1 . 2]" 1
2 1 16 CYS SG 1 19 CYS CB . . 3.000 3.108 2.974 3.226 0.226 10 0 "[ . 1 . 2]" 1
3 1 16 CYS CB 1 19 CYS SG . . 3.000 3.018 2.953 3.122 0.122 12 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 1710
_Distance_constraint_stats_list.Viol_count 1364
_Distance_constraint_stats_list.Viol_total 752.403
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0094
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0276
_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 4 SER 0.068 0.018 11 0 "[ . 1 . 2]"
1 5 MET 0.202 0.035 13 0 "[ . 1 . 2]"
1 6 VAL 0.231 0.033 13 0 "[ . 1 . 2]"
1 7 ASP 0.037 0.016 4 0 "[ . 1 . 2]"
1 8 VAL 0.234 0.023 13 0 "[ . 1 . 2]"
1 9 ILE 0.691 0.078 13 0 "[ . 1 . 2]"
1 10 ILE 1.140 0.079 14 0 "[ . 1 . 2]"
1 11 TYR 1.785 0.162 15 0 "[ . 1 . 2]"
1 12 THR 0.909 0.104 8 0 "[ . 1 . 2]"
1 13 ARG 1.266 0.068 14 0 "[ . 1 . 2]"
1 14 PRO 0.692 0.115 8 0 "[ . 1 . 2]"
1 16 CYS 3.339 0.230 5 0 "[ . 1 . 2]"
1 17 PRO 0.008 0.003 11 0 "[ . 1 . 2]"
1 18 TYR 1.277 0.167 15 0 "[ . 1 . 2]"
1 19 CYS 1.198 0.083 5 0 "[ . 1 . 2]"
1 20 ALA 1.777 0.230 5 0 "[ . 1 . 2]"
1 21 ARG 0.095 0.024 8 0 "[ . 1 . 2]"
1 22 ALA 0.368 0.063 19 0 "[ . 1 . 2]"
1 23 LYS 1.450 0.079 20 0 "[ . 1 . 2]"
1 24 ALA 0.284 0.063 15 0 "[ . 1 . 2]"
1 25 LEU 0.668 0.063 15 0 "[ . 1 . 2]"
1 26 LEU 0.286 0.025 19 0 "[ . 1 . 2]"
1 27 ALA 0.024 0.015 20 0 "[ . 1 . 2]"
1 28 ARG 0.003 0.003 13 0 "[ . 1 . 2]"
1 29 LYS 0.975 0.084 10 0 "[ . 1 . 2]"
1 30 GLY 0.105 0.053 7 0 "[ . 1 . 2]"
1 31 ALA 0.293 0.024 20 0 "[ . 1 . 2]"
1 32 GLU 0.087 0.019 19 0 "[ . 1 . 2]"
1 33 PHE 1.658 0.079 20 0 "[ . 1 . 2]"
1 34 ASN 0.057 0.016 5 0 "[ . 1 . 2]"
1 35 GLU 0.334 0.037 14 0 "[ . 1 . 2]"
1 36 ILE 0.004 0.004 17 0 "[ . 1 . 2]"
1 37 ASP 0.210 0.041 12 0 "[ . 1 . 2]"
1 38 ALA 0.583 0.094 10 0 "[ . 1 . 2]"
1 39 SER 0.607 0.059 2 0 "[ . 1 . 2]"
1 40 ALA 0.091 0.025 2 0 "[ . 1 . 2]"
1 41 THR 0.768 0.094 10 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.096 0.015 2 0 "[ . 1 . 2]"
1 44 LEU 0.420 0.037 2 0 "[ . 1 . 2]"
1 45 ARG 0.133 0.037 2 0 "[ . 1 . 2]"
1 46 ALA 0.635 0.073 2 0 "[ . 1 . 2]"
1 47 GLU 0.341 0.024 10 0 "[ . 1 . 2]"
1 48 MET 2.886 0.176 13 0 "[ . 1 . 2]"
1 49 GLN 1.843 0.116 10 0 "[ . 1 . 2]"
1 50 GLU 0.378 0.116 10 0 "[ . 1 . 2]"
1 51 ARG 1.001 0.085 14 0 "[ . 1 . 2]"
1 52 SER 2.550 0.170 16 0 "[ . 1 . 2]"
1 53 GLY 0.152 0.069 10 0 "[ . 1 . 2]"
1 54 ARG 0.174 0.047 8 0 "[ . 1 . 2]"
1 55 ASN 0.794 0.098 15 0 "[ . 1 . 2]"
1 56 THR 0.220 0.079 18 0 "[ . 1 . 2]"
1 57 PHE 1.472 0.253 12 0 "[ . 1 . 2]"
1 58 PRO 0.548 0.041 9 0 "[ . 1 . 2]"
1 59 GLN 4.568 0.253 12 0 "[ . 1 . 2]"
1 60 ILE 2.057 0.141 17 0 "[ . 1 . 2]"
1 61 PHE 1.275 0.078 13 0 "[ . 1 . 2]"
1 62 ILE 0.161 0.016 4 0 "[ . 1 . 2]"
1 63 GLY 0.153 0.021 14 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.003 0.003 14 0 "[ . 1 . 2]"
1 66 HIS 7.464 0.220 19 0 "[ . 1 . 2]"
1 67 VAL 0.200 0.033 9 0 "[ . 1 . 2]"
1 68 GLY 0.130 0.036 19 0 "[ . 1 . 2]"
1 69 GLY 0.162 0.038 19 0 "[ . 1 . 2]"
1 70 CYS 1.475 0.167 15 0 "[ . 1 . 2]"
1 71 ASP 0.064 0.027 19 0 "[ . 1 . 2]"
1 72 ASP 0.209 0.049 19 0 "[ . 1 . 2]"
1 73 LEU 0.609 0.063 19 0 "[ . 1 . 2]"
1 74 TYR 0.777 0.054 14 0 "[ . 1 . 2]"
1 75 ALA 3.603 0.157 4 0 "[ . 1 . 2]"
1 76 LEU 3.280 0.157 4 0 "[ . 1 . 2]"
1 77 GLU 1.568 0.160 19 0 "[ . 1 . 2]"
1 78 ASP 0.649 0.160 19 0 "[ . 1 . 2]"
1 79 GLU 0.914 0.157 11 0 "[ . 1 . 2]"
1 80 GLY 0.355 0.066 11 0 "[ . 1 . 2]"
1 81 LYS 1.501 0.233 5 0 "[ . 1 . 2]"
1 82 LEU 0.212 0.079 20 0 "[ . 1 . 2]"
1 83 ASP 0.207 0.063 20 0 "[ . 1 . 2]"
1 84 SER 0.023 0.014 20 0 "[ . 1 . 2]"
1 85 LEU 0.308 0.085 13 0 "[ . 1 . 2]"
1 86 LEU 0.578 0.079 20 0 "[ . 1 . 2]"
1 87 LYS 0.164 0.041 20 0 "[ . 1 . 2]"
1 88 THR 0.345 0.226 14 0 "[ . 1 . 2]"
1 89 GLY 0.136 0.063 20 0 "[ . 1 . 2]"
1 90 LYS 0.481 0.226 14 0 "[ . 1 . 2]"
1 91 LEU 0.233 0.041 8 0 "[ . 1 . 2]"
1 92 ILE 0.035 0.028 8 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 5 MET H 1 5 MET HB2 . . 3.840 3.096 2.592 3.875 0.035 13 0 "[ . 1 . 2]" 2
2 1 4 SER HA 1 5 MET H . . 3.430 2.660 2.145 3.448 0.018 11 0 "[ . 1 . 2]" 2
3 1 5 MET H 1 5 MET HB3 . . 3.840 3.263 2.870 3.784 . 0 0 "[ . 1 . 2]" 2
4 1 5 MET H 1 6 VAL QG . . 4.170 3.984 3.507 4.203 0.033 13 0 "[ . 1 . 2]" 2
5 1 6 VAL H 1 6 VAL QG . . 2.800 2.088 2.004 2.227 . 0 0 "[ . 1 . 2]" 2
6 1 5 MET HB2 1 6 VAL H . . 4.190 3.909 1.944 4.149 . 0 0 "[ . 1 . 2]" 2
7 1 5 MET HG3 1 6 VAL H . . 4.710 3.103 1.975 4.544 . 0 0 "[ . 1 . 2]" 2
8 1 5 MET HG2 1 6 VAL H . . 4.710 3.009 2.293 3.951 . 0 0 "[ . 1 . 2]" 2
9 1 6 VAL H 1 87 LYS HA . . 4.990 4.385 4.012 4.879 . 0 0 "[ . 1 . 2]" 2
10 1 6 VAL H 1 86 LEU HA . . 5.100 4.813 3.797 5.083 . 0 0 "[ . 1 . 2]" 2
11 1 5 MET HA 1 6 VAL H . . 2.850 2.344 2.223 2.640 . 0 0 "[ . 1 . 2]" 2
12 1 5 MET H 1 6 VAL H . . 4.910 4.354 4.246 4.433 . 0 0 "[ . 1 . 2]" 2
13 1 6 VAL H 1 7 ASP H . . 5.310 4.432 4.340 4.522 . 0 0 "[ . 1 . 2]" 2
14 1 6 VAL HA 1 7 ASP H . . 2.730 2.263 2.204 2.380 . 0 0 "[ . 1 . 2]" 2
15 1 4 SER QB 1 5 MET H . . 3.910 3.320 2.156 3.904 . 0 0 "[ . 1 . 2]" 2
16 1 7 ASP H 1 7 ASP QB . . 2.890 2.317 2.136 2.720 . 0 0 "[ . 1 . 2]" 2
17 1 6 VAL HB 1 7 ASP H . . 2.970 2.767 2.442 2.965 . 0 0 "[ . 1 . 2]" 2
18 1 7 ASP H 1 63 GLY H . . 4.790 4.597 4.058 4.797 0.007 17 0 "[ . 1 . 2]" 2
19 1 8 VAL H 1 33 PHE HA . . 4.050 3.735 3.493 3.922 . 0 0 "[ . 1 . 2]" 2
20 1 7 ASP HA 1 8 VAL H . . 2.710 2.146 2.139 2.181 . 0 0 "[ . 1 . 2]" 2
21 1 7 ASP H 1 8 VAL H . . 4.740 4.495 4.402 4.590 . 0 0 "[ . 1 . 2]" 2
22 1 8 VAL H 1 34 ASN H . . 4.670 4.274 3.965 4.491 . 0 0 "[ . 1 . 2]" 2
23 1 8 VAL H 1 33 PHE QB . . 4.870 4.636 4.347 4.798 . 0 0 "[ . 1 . 2]" 2
24 1 8 VAL H 1 8 VAL HB . . 3.320 2.612 2.555 2.656 . 0 0 "[ . 1 . 2]" 2
25 1 8 VAL H 1 8 VAL MG2 . . 3.350 2.605 2.391 2.823 . 0 0 "[ . 1 . 2]" 2
26 1 8 VAL H 1 8 VAL MG1 . . 4.060 3.839 3.814 3.863 . 0 0 "[ . 1 . 2]" 2
27 1 8 VAL HA 1 9 ILE H . . 3.170 2.167 2.140 2.203 . 0 0 "[ . 1 . 2]" 2
28 1 9 ILE H 1 62 ILE HA . . 4.400 3.875 3.775 3.999 . 0 0 "[ . 1 . 2]" 2
29 1 9 ILE H 1 61 PHE QB . . 4.370 2.619 2.287 2.840 . 0 0 "[ . 1 . 2]" 2
30 1 9 ILE H 1 9 ILE HB . . 3.830 2.792 2.714 2.847 . 0 0 "[ . 1 . 2]" 2
31 1 9 ILE H 1 9 ILE MG . . 4.050 3.913 3.875 3.938 . 0 0 "[ . 1 . 2]" 2
32 1 8 VAL MG2 1 9 ILE H . . 4.230 4.024 3.941 4.123 . 0 0 "[ . 1 . 2]" 2
33 1 8 VAL H 1 9 ILE H . . 4.770 4.418 4.225 4.499 . 0 0 "[ . 1 . 2]" 2
34 1 9 ILE HA 1 10 ILE H . . 3.270 2.185 2.152 2.246 . 0 0 "[ . 1 . 2]" 2
35 1 10 ILE H 1 10 ILE HG13 . . 5.270 4.574 4.481 4.933 . 0 0 "[ . 1 . 2]" 2
36 1 9 ILE HB 1 10 ILE H . . 4.840 3.956 3.760 4.075 . 0 0 "[ . 1 . 2]" 2
37 1 11 TYR H 1 60 ILE MD . . 5.170 4.031 3.713 4.152 . 0 0 "[ . 1 . 2]" 2
38 1 11 TYR H 1 11 TYR QD . . 4.310 3.484 3.282 3.620 . 0 0 "[ . 1 . 2]" 2
39 1 11 TYR QD 1 12 THR H . . 4.920 4.210 4.068 4.298 . 0 0 "[ . 1 . 2]" 2
40 1 11 TYR HA 1 12 THR H . . 3.350 2.138 2.136 2.141 . 0 0 "[ . 1 . 2]" 2
41 1 11 TYR QB 1 12 THR H . . 4.500 3.540 3.461 3.620 . 0 0 "[ . 1 . 2]" 2
42 1 12 THR HA 1 13 ARG H . . 3.370 2.433 2.290 2.638 . 0 0 "[ . 1 . 2]" 2
43 1 13 ARG H 1 19 CYS HB3 . . 4.460 4.103 3.589 4.416 . 0 0 "[ . 1 . 2]" 2
44 1 13 ARG H 1 16 CYS HB2 . . 4.630 3.719 2.925 4.602 . 0 0 "[ . 1 . 2]" 2
45 1 13 ARG H 1 13 ARG HG3 . . 4.250 3.303 1.924 4.266 0.016 2 0 "[ . 1 . 2]" 2
46 1 13 ARG H 1 13 ARG HG2 . . 4.250 2.803 2.221 3.870 . 0 0 "[ . 1 . 2]" 2
47 1 14 PRO HA 1 16 CYS H . . 4.690 4.086 3.516 4.805 0.115 8 0 "[ . 1 . 2]" 2
48 1 16 CYS H 1 16 CYS HB2 . . 3.940 3.191 2.624 3.898 . 0 0 "[ . 1 . 2]" 2
49 1 13 ARG HG3 1 16 CYS H . . 5.410 4.147 3.677 4.983 . 0 0 "[ . 1 . 2]" 2
50 1 13 ARG HG2 1 16 CYS H . . 5.410 4.435 3.106 5.448 0.038 5 0 "[ . 1 . 2]" 2
51 1 18 TYR H 1 19 CYS H . . 3.300 2.713 2.651 2.799 . 0 0 "[ . 1 . 2]" 2
52 1 18 TYR H 1 20 ALA H . . 4.760 4.496 4.336 4.722 . 0 0 "[ . 1 . 2]" 2
53 1 18 TYR H 1 18 TYR QD . . 3.940 2.742 2.124 3.033 . 0 0 "[ . 1 . 2]" 2
54 1 17 PRO HD3 1 18 TYR H . . 4.140 3.870 3.854 3.885 . 0 0 "[ . 1 . 2]" 2
55 1 17 PRO HD2 1 18 TYR H . . 4.140 2.746 2.705 2.781 . 0 0 "[ . 1 . 2]" 2
56 1 18 TYR H 1 58 PRO HD3 . . 5.500 5.028 4.446 5.410 . 0 0 "[ . 1 . 2]" 2
57 1 18 TYR H 1 18 TYR HB3 . . 3.880 3.579 3.517 3.593 . 0 0 "[ . 1 . 2]" 2
58 1 18 TYR H 1 18 TYR HB2 . . 3.880 2.561 2.223 2.707 . 0 0 "[ . 1 . 2]" 2
59 1 17 PRO HG3 1 18 TYR H . . 4.460 3.560 3.513 3.625 . 0 0 "[ . 1 . 2]" 2
60 1 17 PRO HG2 1 18 TYR H . . 3.840 1.941 1.880 2.024 . 0 0 "[ . 1 . 2]" 2
61 1 19 CYS H 1 20 ALA HA . . 5.500 5.229 5.179 5.280 . 0 0 "[ . 1 . 2]" 2
62 1 19 CYS H 1 19 CYS HB3 . . 3.890 3.593 3.581 3.602 . 0 0 "[ . 1 . 2]" 2
63 1 18 TYR HB3 1 19 CYS H . . 4.300 3.870 3.569 4.084 . 0 0 "[ . 1 . 2]" 2
64 1 18 TYR HB2 1 19 CYS H . . 4.300 2.882 2.727 3.168 . 0 0 "[ . 1 . 2]" 2
65 1 19 CYS H 1 19 CYS HB2 . . 3.890 2.569 2.375 2.723 . 0 0 "[ . 1 . 2]" 2
66 1 17 PRO HG2 1 19 CYS H . . 5.160 4.531 4.406 4.717 . 0 0 "[ . 1 . 2]" 2
67 1 19 CYS H 1 20 ALA H . . 3.720 2.633 2.560 2.705 . 0 0 "[ . 1 . 2]" 2
68 1 20 ALA H 1 22 ALA H . . 4.810 4.422 4.279 4.562 . 0 0 "[ . 1 . 2]" 2
69 1 19 CYS HB3 1 20 ALA H . . 3.760 3.572 3.272 3.725 . 0 0 "[ . 1 . 2]" 2
70 1 19 CYS HB2 1 20 ALA H . . 3.760 2.406 2.311 2.577 . 0 0 "[ . 1 . 2]" 2
71 1 17 PRO HA 1 20 ALA H . . 3.830 3.522 3.385 3.667 . 0 0 "[ . 1 . 2]" 2
72 1 18 TYR HA 1 21 ARG H . . 3.910 3.774 3.606 3.864 . 0 0 "[ . 1 . 2]" 2
73 1 21 ARG H 1 21 ARG HD2 . . 5.190 4.387 2.467 5.211 0.021 3 0 "[ . 1 . 2]" 2
74 1 21 ARG H 1 21 ARG HD3 . . 5.190 4.094 2.663 5.066 . 0 0 "[ . 1 . 2]" 2
75 1 21 ARG H 1 21 ARG QB . . 3.000 2.197 2.048 2.429 . 0 0 "[ . 1 . 2]" 2
76 1 21 ARG H 1 22 ALA H . . 3.310 2.789 2.646 2.869 . 0 0 "[ . 1 . 2]" 2
77 1 22 ALA H 1 23 LYS H . . 3.390 2.827 2.666 2.977 . 0 0 "[ . 1 . 2]" 2
78 1 22 ALA H 1 74 TYR QE . . 4.830 4.342 3.741 4.623 . 0 0 "[ . 1 . 2]" 2
79 1 18 TYR HA 1 22 ALA H . . 4.950 4.489 4.247 4.902 . 0 0 "[ . 1 . 2]" 2
80 1 20 ALA HA 1 22 ALA H . . 4.890 4.603 4.412 4.782 . 0 0 "[ . 1 . 2]" 2
81 1 19 CYS HA 1 22 ALA H . . 4.360 3.516 3.317 3.612 . 0 0 "[ . 1 . 2]" 2
82 1 21 ARG QB 1 22 ALA H . . 3.520 2.520 2.353 2.711 . 0 0 "[ . 1 . 2]" 2
83 1 21 ARG HG2 1 22 ALA H . . 5.500 4.742 4.263 5.167 . 0 0 "[ . 1 . 2]" 2
84 1 22 ALA H 1 23 LYS HG2 . . 5.500 5.071 4.809 5.309 . 0 0 "[ . 1 . 2]" 2
85 1 22 ALA H 1 22 ALA MB . . 3.120 2.114 2.028 2.213 . 0 0 "[ . 1 . 2]" 2
86 1 21 ARG HG3 1 22 ALA H . . 5.500 4.899 4.694 5.049 . 0 0 "[ . 1 . 2]" 2
87 1 22 ALA H 1 23 LYS QB . . 5.500 4.821 4.687 4.973 . 0 0 "[ . 1 . 2]" 2
88 1 22 ALA H 1 23 LYS HG3 . . 4.880 4.801 4.606 4.913 0.033 20 0 "[ . 1 . 2]" 2
89 1 20 ALA HA 1 23 LYS H . . 4.280 3.702 3.468 4.050 . 0 0 "[ . 1 . 2]" 2
90 1 23 LYS H 1 23 LYS QB . . 3.240 2.536 2.429 2.629 . 0 0 "[ . 1 . 2]" 2
91 1 23 LYS H 1 23 LYS QD . . 4.370 4.137 3.985 4.287 . 0 0 "[ . 1 . 2]" 2
92 1 23 LYS H 1 23 LYS HG2 . . 3.240 2.509 2.253 2.741 . 0 0 "[ . 1 . 2]" 2
93 1 23 LYS H 1 23 LYS HG3 . . 3.780 2.576 2.432 2.782 . 0 0 "[ . 1 . 2]" 2
94 1 10 ILE MD 1 23 LYS H . . 4.530 3.531 3.166 4.056 . 0 0 "[ . 1 . 2]" 2
95 1 23 LYS H 1 23 LYS HE3 . . 5.500 5.353 4.737 5.536 0.036 16 0 "[ . 1 . 2]" 2
96 1 20 ALA HA 1 24 ALA H . . 4.680 3.922 3.523 4.112 . 0 0 "[ . 1 . 2]" 2
97 1 23 LYS QB 1 24 ALA H . . 3.200 2.341 2.219 2.450 . 0 0 "[ . 1 . 2]" 2
98 1 23 LYS HG3 1 24 ALA H . . 4.300 4.195 4.032 4.298 . 0 0 "[ . 1 . 2]" 2
99 1 24 ALA H 1 25 LEU H . . 3.540 2.746 2.636 2.894 . 0 0 "[ . 1 . 2]" 2
100 1 25 LEU H 1 74 TYR QE . . 4.820 4.396 3.977 4.829 0.009 1 0 "[ . 1 . 2]" 2
101 1 24 ALA MB 1 25 LEU H . . 3.310 2.582 2.300 2.767 . 0 0 "[ . 1 . 2]" 2
102 1 25 LEU H 1 25 LEU HB3 . . 3.570 2.661 2.372 3.106 . 0 0 "[ . 1 . 2]" 2
103 1 25 LEU H 1 25 LEU HB2 . . 3.570 2.382 2.067 2.640 . 0 0 "[ . 1 . 2]" 2
104 1 25 LEU H 1 25 LEU MD2 . . 4.350 4.067 3.758 4.304 . 0 0 "[ . 1 . 2]" 2
105 1 25 LEU H 1 25 LEU MD1 . . 4.350 4.130 3.981 4.248 . 0 0 "[ . 1 . 2]" 2
106 1 24 ALA H 1 26 LEU H . . 5.500 4.361 4.157 4.619 . 0 0 "[ . 1 . 2]" 2
107 1 26 LEU H 1 28 ARG H . . 5.500 3.973 3.867 4.150 . 0 0 "[ . 1 . 2]" 2
108 1 25 LEU H 1 26 LEU H . . 3.980 2.728 2.593 2.852 . 0 0 "[ . 1 . 2]" 2
109 1 24 ALA HA 1 26 LEU H . . 5.360 4.567 4.291 4.903 . 0 0 "[ . 1 . 2]" 2
110 1 26 LEU H 1 26 LEU MD1 . . 4.330 3.666 3.210 4.019 . 0 0 "[ . 1 . 2]" 2
111 1 26 LEU H 1 26 LEU MD2 . . 4.330 4.066 3.827 4.244 . 0 0 "[ . 1 . 2]" 2
112 1 25 LEU HG 1 26 LEU H . . 5.080 4.299 3.351 5.006 . 0 0 "[ . 1 . 2]" 2
113 1 26 LEU H 1 26 LEU HB2 . . 3.820 2.134 2.068 2.243 . 0 0 "[ . 1 . 2]" 2
114 1 26 LEU H 1 26 LEU HB3 . . 3.820 3.441 3.311 3.527 . 0 0 "[ . 1 . 2]" 2
115 1 26 LEU H 1 26 LEU HG . . 3.530 3.139 2.816 3.511 . 0 0 "[ . 1 . 2]" 2
116 1 27 ALA H 1 28 ARG H . . 3.790 2.512 2.469 2.727 . 0 0 "[ . 1 . 2]" 2
117 1 27 ALA H 1 33 PHE QE . . 4.720 2.915 2.190 3.405 . 0 0 "[ . 1 . 2]" 2
118 1 26 LEU HB3 1 27 ALA H . . 4.220 3.284 2.873 3.553 . 0 0 "[ . 1 . 2]" 2
119 1 26 LEU HB2 1 27 ALA H . . 4.220 2.948 2.558 3.134 . 0 0 "[ . 1 . 2]" 2
120 1 28 ARG H 1 28 ARG QG . . 4.130 3.930 3.826 4.023 . 0 0 "[ . 1 . 2]" 2
121 1 27 ALA MB 1 28 ARG H . . 3.210 2.844 2.637 2.958 . 0 0 "[ . 1 . 2]" 2
122 1 28 ARG H 1 28 ARG HB3 . . 3.140 2.739 2.494 2.947 . 0 0 "[ . 1 . 2]" 2
123 1 28 ARG H 1 28 ARG HB2 . . 3.140 2.336 2.178 2.549 . 0 0 "[ . 1 . 2]" 2
124 1 26 LEU HA 1 28 ARG H . . 4.920 4.113 4.015 4.314 . 0 0 "[ . 1 . 2]" 2
125 1 28 ARG H 1 29 LYS H . . 3.270 2.793 2.603 2.929 . 0 0 "[ . 1 . 2]" 2
126 1 27 ALA HA 1 29 LYS H . . 4.770 4.258 3.670 4.614 . 0 0 "[ . 1 . 2]" 2
127 1 26 LEU HA 1 29 LYS H . . 4.040 3.864 3.555 4.047 0.007 17 0 "[ . 1 . 2]" 2
128 1 29 LYS H 1 29 LYS HG2 . . 3.790 2.303 1.916 3.390 . 0 0 "[ . 1 . 2]" 2
129 1 28 ARG HB3 1 29 LYS H . . 3.960 2.535 2.312 3.088 . 0 0 "[ . 1 . 2]" 2
130 1 29 LYS H 1 29 LYS QB . . 2.940 2.613 2.404 2.957 0.017 7 0 "[ . 1 . 2]" 2
131 1 29 LYS H 1 29 LYS HG3 . . 3.790 3.056 1.916 3.806 0.016 4 0 "[ . 1 . 2]" 2
132 1 29 LYS H 1 29 LYS QD . . 3.910 3.519 2.099 3.994 0.084 10 0 "[ . 1 . 2]" 2
133 1 29 LYS H 1 30 GLY H . . 3.130 2.472 2.262 2.611 . 0 0 "[ . 1 . 2]" 2
134 1 30 GLY H 1 31 ALA H . . 2.770 2.317 2.187 2.630 . 0 0 "[ . 1 . 2]" 2
135 1 27 ALA HA 1 30 GLY H . . 3.640 3.181 3.048 3.448 . 0 0 "[ . 1 . 2]" 2
136 1 29 LYS HA 1 30 GLY H . . 3.500 3.377 3.201 3.408 . 0 0 "[ . 1 . 2]" 2
137 1 29 LYS QB 1 30 GLY H . . 3.840 3.607 3.096 3.893 0.053 7 0 "[ . 1 . 2]" 2
138 1 27 ALA MB 1 30 GLY H . . 4.650 4.222 4.123 4.415 . 0 0 "[ . 1 . 2]" 2
139 1 30 GLY H 1 31 ALA MB . . 4.320 4.032 3.908 4.240 . 0 0 "[ . 1 . 2]" 2
140 1 31 ALA H 1 32 GLU H . . 4.690 4.419 4.313 4.448 . 0 0 "[ . 1 . 2]" 2
141 1 29 LYS H 1 31 ALA H . . 3.840 3.668 3.162 3.847 0.007 5 0 "[ . 1 . 2]" 2
142 1 29 LYS HA 1 31 ALA H . . 4.890 4.644 4.285 4.829 . 0 0 "[ . 1 . 2]" 2
143 1 31 ALA H 1 31 ALA MB . . 2.840 2.233 2.167 2.288 . 0 0 "[ . 1 . 2]" 2
144 1 29 LYS QB 1 31 ALA H . . 3.870 3.598 2.507 3.888 0.018 17 0 "[ . 1 . 2]" 2
145 1 32 GLU H 1 33 PHE H . . 4.830 4.583 4.532 4.618 . 0 0 "[ . 1 . 2]" 2
146 1 33 PHE H 1 34 ASN H . . 4.430 4.336 4.293 4.397 . 0 0 "[ . 1 . 2]" 2
147 1 33 PHE H 1 33 PHE QE . . 4.650 4.390 4.264 4.450 . 0 0 "[ . 1 . 2]" 2
148 1 33 PHE H 1 33 PHE QD . . 3.310 3.261 3.173 3.327 0.017 19 0 "[ . 1 . 2]" 2
149 1 33 PHE H 1 33 PHE HZ . . 5.500 5.468 5.289 5.531 0.031 19 0 "[ . 1 . 2]" 2
150 1 32 GLU HA 1 33 PHE H . . 2.620 2.212 2.154 2.300 . 0 0 "[ . 1 . 2]" 2
151 1 33 PHE H 1 33 PHE QB . . 3.530 3.224 3.155 3.274 . 0 0 "[ . 1 . 2]" 2
152 1 32 GLU HG3 1 33 PHE H . . 4.800 4.472 3.782 4.810 0.010 19 0 "[ . 1 . 2]" 2
153 1 32 GLU QB 1 33 PHE H . . 3.230 2.963 2.672 3.164 . 0 0 "[ . 1 . 2]" 2
154 1 31 ALA MB 1 33 PHE H . . 5.500 5.299 5.054 5.499 . 0 0 "[ . 1 . 2]" 2
155 1 8 VAL MG1 1 33 PHE H . . 5.330 5.089 4.900 5.293 . 0 0 "[ . 1 . 2]" 2
156 1 10 ILE MG 1 33 PHE H . . 5.500 5.206 4.967 5.486 . 0 0 "[ . 1 . 2]" 2
157 1 10 ILE H 1 34 ASN H . . 3.990 3.777 3.455 3.995 0.005 15 0 "[ . 1 . 2]" 2
158 1 33 PHE QD 1 34 ASN H . . 4.100 3.795 3.505 3.955 . 0 0 "[ . 1 . 2]" 2
159 1 33 PHE HA 1 34 ASN H . . 3.060 2.258 2.221 2.331 . 0 0 "[ . 1 . 2]" 2
160 1 9 ILE HA 1 34 ASN H . . 3.490 2.613 2.204 2.900 . 0 0 "[ . 1 . 2]" 2
161 1 34 ASN H 1 34 ASN QB . . 3.130 2.239 2.088 2.343 . 0 0 "[ . 1 . 2]" 2
162 1 33 PHE QB 1 34 ASN H . . 3.240 2.764 2.570 2.873 . 0 0 "[ . 1 . 2]" 2
163 1 8 VAL HB 1 34 ASN H . . 4.000 3.884 3.554 4.010 0.010 18 0 "[ . 1 . 2]" 2
164 1 8 VAL MG1 1 34 ASN H . . 4.010 3.877 3.725 4.008 . 0 0 "[ . 1 . 2]" 2
165 1 10 ILE MG 1 34 ASN H . . 5.150 4.017 3.831 4.285 . 0 0 "[ . 1 . 2]" 2
166 1 33 PHE QE 1 35 GLU H . . 5.020 4.896 4.590 5.032 0.012 9 0 "[ . 1 . 2]" 2
167 1 33 PHE QD 1 35 GLU H . . 4.150 3.880 3.738 3.997 . 0 0 "[ . 1 . 2]" 2
168 1 34 ASN HA 1 35 GLU H . . 2.660 2.141 2.140 2.143 . 0 0 "[ . 1 . 2]" 2
169 1 34 ASN QB 1 35 GLU H . . 4.030 3.748 3.507 3.854 . 0 0 "[ . 1 . 2]" 2
170 1 35 GLU H 1 35 GLU HB2 . . 3.070 2.718 2.633 2.844 . 0 0 "[ . 1 . 2]" 2
171 1 35 GLU H 1 35 GLU HB3 . . 3.340 2.468 2.360 2.546 . 0 0 "[ . 1 . 2]" 2
172 1 10 ILE MG 1 35 GLU H . . 4.170 3.759 3.702 3.823 . 0 0 "[ . 1 . 2]" 2
173 1 12 THR H 1 36 ILE H . . 5.500 3.745 3.538 3.945 . 0 0 "[ . 1 . 2]" 2
174 1 35 GLU HA 1 36 ILE H . . 3.350 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 2
175 1 35 GLU HG3 1 36 ILE H . . 4.630 3.904 3.226 4.580 . 0 0 "[ . 1 . 2]" 2
176 1 35 GLU HB3 1 36 ILE H . . 4.680 4.301 4.201 4.376 . 0 0 "[ . 1 . 2]" 2
177 1 36 ILE H 1 36 ILE HG13 . . 4.830 2.856 2.726 2.995 . 0 0 "[ . 1 . 2]" 2
178 1 37 ASP H 1 38 ALA H . . 4.640 4.553 4.498 4.603 . 0 0 "[ . 1 . 2]" 2
179 1 36 ILE H 1 37 ASP H . . 5.500 4.428 4.395 4.453 . 0 0 "[ . 1 . 2]" 2
180 1 36 ILE HA 1 37 ASP H . . 2.820 2.249 2.230 2.276 . 0 0 "[ . 1 . 2]" 2
181 1 37 ASP H 1 37 ASP HB3 . . 3.660 3.513 2.538 3.700 0.040 19 0 "[ . 1 . 2]" 2
182 1 37 ASP H 1 40 ALA MB . . 5.140 4.569 4.072 5.039 . 0 0 "[ . 1 . 2]" 2
183 1 36 ILE HB 1 37 ASP H . . 4.730 3.843 3.722 3.933 . 0 0 "[ . 1 . 2]" 2
184 1 36 ILE MG 1 37 ASP H . . 3.430 2.113 1.909 2.236 . 0 0 "[ . 1 . 2]" 2
185 1 36 ILE MD 1 37 ASP H . . 4.890 4.807 4.759 4.894 0.004 17 0 "[ . 1 . 2]" 2
186 1 12 THR H 1 38 ALA H . . 4.250 4.102 3.698 4.265 0.015 19 0 "[ . 1 . 2]" 2
187 1 38 ALA H 1 40 ALA H . . 4.700 3.454 3.152 3.726 . 0 0 "[ . 1 . 2]" 2
188 1 11 TYR QD 1 38 ALA H . . 4.680 4.322 3.815 4.578 . 0 0 "[ . 1 . 2]" 2
189 1 38 ALA H 1 41 THR H . . 5.500 5.512 5.300 5.594 0.094 10 0 "[ . 1 . 2]" 2
190 1 11 TYR HA 1 38 ALA H . . 5.450 5.073 4.870 5.379 . 0 0 "[ . 1 . 2]" 2
191 1 37 ASP HA 1 38 ALA H . . 3.020 2.261 2.217 2.273 . 0 0 "[ . 1 . 2]" 2
192 1 37 ASP HB3 1 38 ALA H . . 4.830 2.992 2.782 3.920 . 0 0 "[ . 1 . 2]" 2
193 1 37 ASP HB2 1 38 ALA H . . 4.830 3.831 2.789 4.125 . 0 0 "[ . 1 . 2]" 2
194 1 39 SER H 1 40 ALA H . . 3.340 2.617 2.418 2.689 . 0 0 "[ . 1 . 2]" 2
195 1 11 TYR QD 1 39 SER H . . 5.500 5.452 5.256 5.545 0.045 2 0 "[ . 1 . 2]" 2
196 1 13 ARG H 1 39 SER H . . 5.500 5.493 5.315 5.546 0.046 9 0 "[ . 1 . 2]" 2
197 1 37 ASP HA 1 39 SER H . . 4.110 4.031 3.852 4.151 0.041 12 0 "[ . 1 . 2]" 2
198 1 39 SER H 1 40 ALA HA . . 5.420 5.094 4.854 5.203 . 0 0 "[ . 1 . 2]" 2
199 1 39 SER H 1 39 SER HB3 . . 3.920 2.743 2.235 3.626 . 0 0 "[ . 1 . 2]" 2
200 1 14 PRO HD3 1 39 SER H . . 5.010 4.533 3.892 5.026 0.016 19 0 "[ . 1 . 2]" 2
201 1 39 SER H 1 39 SER HB2 . . 3.920 2.698 2.223 3.580 . 0 0 "[ . 1 . 2]" 2
202 1 14 PRO HD2 1 39 SER H . . 5.010 4.113 3.409 4.640 . 0 0 "[ . 1 . 2]" 2
203 1 38 ALA MB 1 39 SER H . . 4.290 2.736 2.582 2.904 . 0 0 "[ . 1 . 2]" 2
204 1 13 ARG HB3 1 39 SER H . . 5.260 3.316 2.433 3.763 . 0 0 "[ . 1 . 2]" 2
205 1 13 ARG HB2 1 39 SER H . . 5.260 3.556 2.797 4.377 . 0 0 "[ . 1 . 2]" 2
206 1 37 ASP HA 1 40 ALA H . . 4.980 4.779 4.419 4.955 . 0 0 "[ . 1 . 2]" 2
207 1 38 ALA HA 1 40 ALA H . . 4.370 3.665 3.588 3.954 . 0 0 "[ . 1 . 2]" 2
208 1 39 SER HB3 1 40 ALA H . . 5.110 3.539 3.066 4.417 . 0 0 "[ . 1 . 2]" 2
209 1 39 SER HB2 1 40 ALA H . . 5.110 3.978 3.172 4.387 . 0 0 "[ . 1 . 2]" 2
210 1 40 ALA H 1 41 THR MG . . 5.500 5.412 5.285 5.514 0.014 10 0 "[ . 1 . 2]" 2
211 1 40 ALA H 1 40 ALA MB . . 3.150 2.144 2.029 2.236 . 0 0 "[ . 1 . 2]" 2
212 1 41 THR H 1 43 GLU H . . 5.500 5.476 5.358 5.515 0.015 2 0 "[ . 1 . 2]" 2
213 1 39 SER H 1 41 THR H . . 4.730 4.618 4.470 4.747 0.017 2 0 "[ . 1 . 2]" 2
214 1 41 THR H 1 45 ARG H . . 4.630 4.267 4.064 4.552 . 0 0 "[ . 1 . 2]" 2
215 1 40 ALA H 1 41 THR H . . 3.360 2.801 2.648 2.838 . 0 0 "[ . 1 . 2]" 2
216 1 38 ALA HA 1 41 THR H . . 4.380 4.074 3.820 4.391 0.011 2 0 "[ . 1 . 2]" 2
217 1 39 SER HA 1 41 THR H . . 4.550 3.828 3.570 4.049 . 0 0 "[ . 1 . 2]" 2
218 1 41 THR H 1 42 PRO HA . . 5.310 5.142 5.029 5.276 . 0 0 "[ . 1 . 2]" 2
219 1 41 THR H 1 42 PRO HD3 . . 5.100 4.982 4.910 5.037 . 0 0 "[ . 1 . 2]" 2
220 1 41 THR H 1 42 PRO HD2 . . 5.100 4.795 4.786 4.812 . 0 0 "[ . 1 . 2]" 2
221 1 40 ALA MB 1 41 THR H . . 3.320 2.662 2.500 2.856 . 0 0 "[ . 1 . 2]" 2
222 1 41 THR H 1 41 THR MG . . 3.900 3.515 3.370 3.672 . 0 0 "[ . 1 . 2]" 2
223 1 41 THR HA 1 43 GLU H . . 4.530 4.420 4.336 4.461 . 0 0 "[ . 1 . 2]" 2
224 1 41 THR HB 1 43 GLU H . . 3.650 2.676 2.575 2.709 . 0 0 "[ . 1 . 2]" 2
225 1 42 PRO HD2 1 43 GLU H . . 4.820 2.679 2.660 2.691 . 0 0 "[ . 1 . 2]" 2
226 1 43 GLU H 1 43 GLU HG3 . . 4.760 3.597 2.100 4.519 . 0 0 "[ . 1 . 2]" 2
227 1 42 PRO HB3 1 43 GLU H . . 4.170 4.006 3.984 4.052 . 0 0 "[ . 1 . 2]" 2
228 1 42 PRO HG3 1 43 GLU H . . 4.800 3.685 3.656 3.748 . 0 0 "[ . 1 . 2]" 2
229 1 43 GLU H 1 43 GLU HG2 . . 4.760 4.082 2.779 4.645 . 0 0 "[ . 1 . 2]" 2
230 1 43 GLU H 1 43 GLU HB3 . . 3.880 3.122 2.374 3.598 . 0 0 "[ . 1 . 2]" 2
231 1 42 PRO HB2 1 43 GLU H . . 4.170 3.100 3.062 3.181 . 0 0 "[ . 1 . 2]" 2
232 1 43 GLU H 1 43 GLU HB2 . . 3.880 2.349 2.181 2.697 . 0 0 "[ . 1 . 2]" 2
233 1 43 GLU H 1 44 LEU HG . . 5.500 5.152 4.869 5.393 . 0 0 "[ . 1 . 2]" 2
234 1 43 GLU H 1 46 ALA MB . . 5.040 4.420 4.125 4.711 . 0 0 "[ . 1 . 2]" 2
235 1 41 THR MG 1 43 GLU H . . 4.250 4.020 3.876 4.124 . 0 0 "[ . 1 . 2]" 2
236 1 43 GLU H 1 44 LEU H . . 3.650 2.704 2.566 2.840 . 0 0 "[ . 1 . 2]" 2
237 1 41 THR H 1 44 LEU H . . 4.450 4.431 4.298 4.469 0.019 6 0 "[ . 1 . 2]" 2
238 1 41 THR HB 1 44 LEU H . . 3.990 2.729 2.513 2.988 . 0 0 "[ . 1 . 2]" 2
239 1 43 GLU HG3 1 44 LEU H . . 5.250 4.585 3.994 4.977 . 0 0 "[ . 1 . 2]" 2
240 1 43 GLU HG2 1 44 LEU H . . 5.250 4.454 3.290 5.181 . 0 0 "[ . 1 . 2]" 2
241 1 44 LEU H 1 47 GLU HG2 . . 5.500 4.767 4.424 5.201 . 0 0 "[ . 1 . 2]" 2
242 1 44 LEU H 1 44 LEU HB3 . . 3.580 3.516 3.460 3.557 . 0 0 "[ . 1 . 2]" 2
243 1 44 LEU H 1 44 LEU HG . . 3.960 2.791 2.581 3.123 . 0 0 "[ . 1 . 2]" 2
244 1 44 LEU H 1 44 LEU HB2 . . 3.580 2.228 2.149 2.320 . 0 0 "[ . 1 . 2]" 2
245 1 44 LEU H 1 44 LEU MD1 . . 4.120 3.773 3.663 3.897 . 0 0 "[ . 1 . 2]" 2
246 1 44 LEU H 1 44 LEU MD2 . . 4.120 3.766 3.563 3.948 . 0 0 "[ . 1 . 2]" 2
247 1 43 GLU H 1 45 ARG H . . 4.830 3.929 3.834 4.041 . 0 0 "[ . 1 . 2]" 2
248 1 44 LEU H 1 45 ARG H . . 3.080 2.657 2.446 2.781 . 0 0 "[ . 1 . 2]" 2
249 1 38 ALA HA 1 45 ARG H . . 5.070 4.827 4.412 5.084 0.014 18 0 "[ . 1 . 2]" 2
250 1 41 THR HB 1 45 ARG H . . 5.370 4.406 4.174 4.585 . 0 0 "[ . 1 . 2]" 2
251 1 42 PRO HA 1 45 ARG H . . 3.920 3.655 3.435 3.834 . 0 0 "[ . 1 . 2]" 2
252 1 45 ARG H 1 45 ARG HB3 . . 3.150 2.513 2.359 2.821 . 0 0 "[ . 1 . 2]" 2
253 1 44 LEU HB3 1 45 ARG H . . 3.680 3.552 3.298 3.717 0.037 2 0 "[ . 1 . 2]" 2
254 1 45 ARG H 1 45 ARG HB2 . . 3.150 2.653 2.368 2.831 . 0 0 "[ . 1 . 2]" 2
255 1 44 LEU HB2 1 45 ARG H . . 3.680 2.970 2.838 3.092 . 0 0 "[ . 1 . 2]" 2
256 1 44 LEU MD1 1 45 ARG H . . 5.110 4.781 4.659 4.901 . 0 0 "[ . 1 . 2]" 2
257 1 44 LEU MD2 1 45 ARG H . . 5.110 4.682 4.601 4.815 . 0 0 "[ . 1 . 2]" 2
258 1 45 ARG H 1 46 ALA H . . 3.440 2.346 2.322 2.474 . 0 0 "[ . 1 . 2]" 2
259 1 42 PRO HA 1 46 ALA H . . 4.920 4.167 3.713 4.292 . 0 0 "[ . 1 . 2]" 2
260 1 44 LEU HA 1 46 ALA H . . 5.270 4.295 4.137 4.808 . 0 0 "[ . 1 . 2]" 2
261 1 43 GLU HA 1 46 ALA H . . 3.680 3.277 3.140 3.636 . 0 0 "[ . 1 . 2]" 2
262 1 46 ALA H 1 47 GLU HG2 . . 5.140 3.886 3.719 4.140 . 0 0 "[ . 1 . 2]" 2
263 1 47 GLU H 1 50 GLU H . . 5.240 4.667 4.585 4.883 . 0 0 "[ . 1 . 2]" 2
264 1 46 ALA H 1 47 GLU H . . 3.250 2.688 2.512 2.892 . 0 0 "[ . 1 . 2]" 2
265 1 45 ARG H 1 47 GLU H . . 4.610 4.284 4.076 4.424 . 0 0 "[ . 1 . 2]" 2
266 1 44 LEU HA 1 47 GLU H . . 4.160 3.923 3.797 4.077 . 0 0 "[ . 1 . 2]" 2
267 1 47 GLU H 1 47 GLU QB . . 3.170 2.503 2.422 2.602 . 0 0 "[ . 1 . 2]" 2
268 1 47 GLU H 1 47 GLU HG2 . . 3.280 2.105 1.960 2.252 . 0 0 "[ . 1 . 2]" 2
269 1 47 GLU H 1 47 GLU HG3 . . 3.590 3.465 2.981 3.607 0.017 11 0 "[ . 1 . 2]" 2
270 1 46 ALA MB 1 47 GLU H . . 3.120 2.475 2.232 2.653 . 0 0 "[ . 1 . 2]" 2
271 1 48 MET H 1 49 GLN H . . 3.300 2.654 2.523 2.753 . 0 0 "[ . 1 . 2]" 2
272 1 45 ARG H 1 48 MET H . . 5.110 4.793 4.606 4.930 . 0 0 "[ . 1 . 2]" 2
273 1 11 TYR QD 1 48 MET H . . 5.500 5.413 5.115 5.537 0.037 18 0 "[ . 1 . 2]" 2
274 1 11 TYR QE 1 48 MET H . . 5.500 5.362 4.781 5.530 0.030 20 0 "[ . 1 . 2]" 2
275 1 45 ARG HA 1 48 MET H . . 4.010 3.557 3.380 3.687 . 0 0 "[ . 1 . 2]" 2
276 1 44 LEU HA 1 48 MET H . . 4.900 4.414 4.131 4.918 0.018 10 0 "[ . 1 . 2]" 2
277 1 47 GLU HG2 1 48 MET H . . 3.020 2.378 2.060 2.983 . 0 0 "[ . 1 . 2]" 2
278 1 48 MET H 1 48 MET HB3 . . 3.780 2.983 2.077 3.596 . 0 0 "[ . 1 . 2]" 2
279 1 47 GLU HG3 1 48 MET H . . 3.280 2.668 2.248 3.094 . 0 0 "[ . 1 . 2]" 2
280 1 38 ALA MB 1 48 MET H . . 4.740 4.472 4.116 4.749 0.009 11 0 "[ . 1 . 2]" 2
281 1 48 MET H 1 48 MET QG . . 4.240 3.411 2.239 4.024 . 0 0 "[ . 1 . 2]" 2
282 1 48 MET H 1 48 MET HB2 . . 3.780 2.477 2.079 3.231 . 0 0 "[ . 1 . 2]" 2
283 1 46 ALA HA 1 49 GLN H . . 3.900 3.657 3.249 3.820 . 0 0 "[ . 1 . 2]" 2
284 1 49 GLN H 1 50 GLU HA . . 5.300 5.087 4.991 5.218 . 0 0 "[ . 1 . 2]" 2
285 1 49 GLN H 1 49 GLN QG . . 3.150 2.421 1.995 2.734 . 0 0 "[ . 1 . 2]" 2
286 1 48 MET HB3 1 49 GLN H . . 4.050 2.914 2.537 3.403 . 0 0 "[ . 1 . 2]" 2
287 1 49 GLN H 1 49 GLN HB2 . . 3.670 3.439 2.649 3.613 . 0 0 "[ . 1 . 2]" 2
288 1 48 MET HB2 1 49 GLN H . . 4.050 3.185 2.334 4.081 0.031 2 0 "[ . 1 . 2]" 2
289 1 49 GLN H 1 50 GLU H . . 3.160 2.515 2.414 2.646 . 0 0 "[ . 1 . 2]" 2
290 1 48 MET H 1 50 GLU H . . 4.250 3.696 3.611 3.863 . 0 0 "[ . 1 . 2]" 2
291 1 50 GLU H 1 52 SER H . . 4.670 4.059 3.851 4.216 . 0 0 "[ . 1 . 2]" 2
292 1 47 GLU HA 1 50 GLU H . . 3.920 3.494 3.243 3.738 . 0 0 "[ . 1 . 2]" 2
293 1 50 GLU H 1 51 ARG HG3 . . 4.420 4.141 3.931 4.436 0.016 9 0 "[ . 1 . 2]" 2
294 1 49 GLN QG 1 50 GLU H . . 3.870 2.731 2.330 3.986 0.116 10 0 "[ . 1 . 2]" 2
295 1 50 GLU H 1 50 GLU HB3 . . 2.850 2.426 2.364 2.621 . 0 0 "[ . 1 . 2]" 2
296 1 50 GLU H 1 50 GLU HB2 . . 3.090 2.662 2.445 2.734 . 0 0 "[ . 1 . 2]" 2
297 1 50 GLU H 1 51 ARG H . . 3.270 2.522 2.483 2.652 . 0 0 "[ . 1 . 2]" 2
298 1 51 ARG H 1 52 SER H . . 3.280 2.351 2.064 2.697 . 0 0 "[ . 1 . 2]" 2
299 1 51 ARG H 1 66 HIS HE1 . . 5.500 5.533 5.469 5.585 0.085 14 0 "[ . 1 . 2]" 2
300 1 51 ARG H 1 51 ARG HD3 . . 4.850 4.416 4.128 4.749 . 0 0 "[ . 1 . 2]" 2
301 1 51 ARG H 1 51 ARG HD2 . . 4.850 3.931 3.261 4.333 . 0 0 "[ . 1 . 2]" 2
302 1 50 GLU HB3 1 51 ARG H . . 3.120 2.957 2.414 3.137 0.017 10 0 "[ . 1 . 2]" 2
303 1 51 ARG H 1 51 ARG HG3 . . 3.430 2.418 1.984 2.652 . 0 0 "[ . 1 . 2]" 2
304 1 51 ARG H 1 51 ARG QB . . 2.910 2.456 2.266 2.592 . 0 0 "[ . 1 . 2]" 2
305 1 51 ARG H 1 51 ARG HG2 . . 3.840 3.738 3.415 3.861 0.021 6 0 "[ . 1 . 2]" 2
306 1 52 SER H 1 53 GLY H . . 3.070 2.396 2.281 2.431 . 0 0 "[ . 1 . 2]" 2
307 1 52 SER H 1 66 HIS HE1 . . 4.660 4.681 4.570 4.720 0.060 7 0 "[ . 1 . 2]" 2
308 1 49 GLN HA 1 52 SER H . . 4.390 3.255 2.961 3.527 . 0 0 "[ . 1 . 2]" 2
309 1 48 MET HA 1 52 SER H . . 5.120 4.767 3.932 5.132 0.012 16 0 "[ . 1 . 2]" 2
310 1 51 ARG QB 1 52 SER H . . 3.530 2.655 2.560 2.764 . 0 0 "[ . 1 . 2]" 2
311 1 50 GLU HB3 1 52 SER H . . 5.500 5.164 4.790 5.346 . 0 0 "[ . 1 . 2]" 2
312 1 49 GLN HA 1 53 GLY H . . 4.030 3.449 2.411 3.969 . 0 0 "[ . 1 . 2]" 2
313 1 49 GLN QG 1 53 GLY H . . 4.890 4.587 4.184 4.959 0.069 10 0 "[ . 1 . 2]" 2
314 1 54 ARG HB3 1 55 ASN H . . 4.140 2.137 2.107 2.189 . 0 0 "[ . 1 . 2]" 2
315 1 54 ARG HB2 1 55 ASN H . . 4.140 3.364 3.226 3.509 . 0 0 "[ . 1 . 2]" 2
316 1 52 SER H 1 54 ARG H . . 4.480 4.199 4.011 4.481 0.001 12 0 "[ . 1 . 2]" 2
317 1 49 GLN HA 1 54 ARG H . . 4.030 3.625 2.804 4.012 . 0 0 "[ . 1 . 2]" 2
318 1 54 ARG H 1 54 ARG HD2 . . 5.500 5.110 4.437 5.520 0.020 1 0 "[ . 1 . 2]" 2
319 1 54 ARG H 1 54 ARG HD3 . . 5.500 4.861 4.188 5.430 . 0 0 "[ . 1 . 2]" 2
320 1 49 GLN QG 1 54 ARG H . . 4.990 4.664 4.168 5.037 0.047 8 0 "[ . 1 . 2]" 2
321 1 55 ASN H 1 56 THR H . . 3.810 3.260 3.128 3.324 . 0 0 "[ . 1 . 2]" 2
322 1 56 THR H 1 57 PHE H . . 4.940 4.147 4.076 4.198 . 0 0 "[ . 1 . 2]" 2
323 1 55 ASN QB 1 56 THR H . . 4.360 2.316 1.894 2.736 . 0 0 "[ . 1 . 2]" 2
324 1 54 ARG HB3 1 56 THR H . . 4.430 3.821 3.509 4.034 . 0 0 "[ . 1 . 2]" 2
325 1 56 THR H 1 56 THR MG . . 4.170 3.916 3.595 4.061 . 0 0 "[ . 1 . 2]" 2
326 1 54 ARG HB2 1 56 THR H . . 4.430 4.073 3.866 4.351 . 0 0 "[ . 1 . 2]" 2
327 1 57 PHE H 1 57 PHE QE . . 4.880 4.511 4.410 4.608 . 0 0 "[ . 1 . 2]" 2
328 1 57 PHE H 1 57 PHE QD . . 3.530 2.291 2.174 2.411 . 0 0 "[ . 1 . 2]" 2
329 1 57 PHE H 1 58 PRO HA . . 5.240 5.050 5.035 5.058 . 0 0 "[ . 1 . 2]" 2
330 1 56 THR HA 1 57 PHE H . . 2.890 2.171 2.168 2.173 . 0 0 "[ . 1 . 2]" 2
331 1 57 PHE H 1 57 PHE HB3 . . 3.630 2.958 2.926 2.995 . 0 0 "[ . 1 . 2]" 2
332 1 57 PHE H 1 57 PHE HB2 . . 4.200 3.938 3.929 3.948 . 0 0 "[ . 1 . 2]" 2
333 1 11 TYR H 1 59 GLN H . . 4.870 2.881 2.737 3.018 . 0 0 "[ . 1 . 2]" 2
334 1 11 TYR QD 1 59 GLN H . . 5.500 5.008 4.908 5.243 . 0 0 "[ . 1 . 2]" 2
335 1 57 PHE QE 1 59 GLN H . . 5.500 4.961 4.780 5.200 . 0 0 "[ . 1 . 2]" 2
336 1 57 PHE QD 1 59 GLN H . . 5.500 5.089 4.920 5.304 . 0 0 "[ . 1 . 2]" 2
337 1 59 GLN H 1 61 PHE QE . . 5.500 5.385 4.917 5.506 0.006 6 0 "[ . 1 . 2]" 2
338 1 58 PRO HB2 1 59 GLN H . . 4.310 3.622 3.427 3.768 . 0 0 "[ . 1 . 2]" 2
339 1 59 GLN HB3 1 60 ILE H . . 5.000 3.381 3.233 3.451 . 0 0 "[ . 1 . 2]" 2
340 1 60 ILE H 1 67 VAL HB . . 4.700 3.839 3.659 4.005 . 0 0 "[ . 1 . 2]" 2
341 1 60 ILE H 1 60 ILE HG12 . . 4.320 3.753 2.677 4.461 0.141 17 0 "[ . 1 . 2]" 2
342 1 60 ILE H 1 60 ILE MD . . 4.150 2.974 2.399 3.813 . 0 0 "[ . 1 . 2]" 2
343 1 9 ILE H 1 61 PHE H . . 4.950 3.548 3.332 3.830 . 0 0 "[ . 1 . 2]" 2
344 1 61 PHE H 1 61 PHE QD . . 4.160 3.087 2.717 3.310 . 0 0 "[ . 1 . 2]" 2
345 1 60 ILE HB 1 61 PHE H . . 4.770 4.467 4.361 4.508 . 0 0 "[ . 1 . 2]" 2
346 1 8 VAL MG1 1 61 PHE H . . 5.210 3.812 3.605 4.001 . 0 0 "[ . 1 . 2]" 2
347 1 60 ILE MG 1 61 PHE H . . 3.880 3.172 2.946 3.265 . 0 0 "[ . 1 . 2]" 2
348 1 62 ILE H 1 65 VAL H . . 4.660 3.812 3.739 3.885 . 0 0 "[ . 1 . 2]" 2
349 1 61 PHE QD 1 62 ILE H . . 5.160 4.207 4.075 4.398 . 0 0 "[ . 1 . 2]" 2
350 1 62 ILE H 1 66 HIS HD2 . . 5.500 4.710 4.602 4.817 . 0 0 "[ . 1 . 2]" 2
351 1 61 PHE QB 1 62 ILE H . . 4.260 3.402 3.282 3.443 . 0 0 "[ . 1 . 2]" 2
352 1 62 ILE H 1 62 ILE HB . . 3.760 2.591 2.537 2.654 . 0 0 "[ . 1 . 2]" 2
353 1 62 ILE H 1 62 ILE MD . . 5.010 4.091 4.052 4.170 . 0 0 "[ . 1 . 2]" 2
354 1 63 GLY H 1 65 VAL H . . 4.920 4.653 4.570 4.718 . 0 0 "[ . 1 . 2]" 2
355 1 8 VAL H 1 63 GLY H . . 5.300 5.037 4.689 5.315 0.015 4 0 "[ . 1 . 2]" 2
356 1 8 VAL HA 1 63 GLY H . . 3.750 3.171 2.883 3.413 . 0 0 "[ . 1 . 2]" 2
357 1 62 ILE HA 1 63 GLY H . . 2.890 2.147 2.143 2.157 . 0 0 "[ . 1 . 2]" 2
358 1 6 VAL HB 1 63 GLY H . . 4.470 3.285 3.096 3.603 . 0 0 "[ . 1 . 2]" 2
359 1 62 ILE HB 1 63 GLY H . . 4.450 4.341 4.288 4.397 . 0 0 "[ . 1 . 2]" 2
360 1 6 VAL QG 1 63 GLY H . . 3.150 2.751 2.130 3.133 . 0 0 "[ . 1 . 2]" 2
361 1 62 ILE MG 1 63 GLY H . . 3.290 2.930 2.779 3.076 . 0 0 "[ . 1 . 2]" 2
362 1 63 GLY HA2 1 64 SER H . . 3.450 3.371 3.362 3.377 . 0 0 "[ . 1 . 2]" 2
363 1 63 GLY HA3 1 64 SER H . . 3.220 2.160 2.156 2.163 . 0 0 "[ . 1 . 2]" 2
364 1 64 SER H 1 65 VAL HB . . 4.570 4.240 4.213 4.279 . 0 0 "[ . 1 . 2]" 2
365 1 6 VAL QG 1 64 SER H . . 4.550 4.220 3.976 4.466 . 0 0 "[ . 1 . 2]" 2
366 1 62 ILE MG 1 64 SER H . . 4.430 4.361 4.323 4.409 . 0 0 "[ . 1 . 2]" 2
367 1 64 SER H 1 65 VAL H . . 3.230 2.156 2.088 2.242 . 0 0 "[ . 1 . 2]" 2
368 1 63 GLY HA3 1 65 VAL H . . 3.990 3.570 3.539 3.614 . 0 0 "[ . 1 . 2]" 2
369 1 65 VAL H 1 65 VAL HB . . 2.880 2.763 2.753 2.766 . 0 0 "[ . 1 . 2]" 2
370 1 62 ILE HB 1 65 VAL H . . 4.530 4.388 4.273 4.514 . 0 0 "[ . 1 . 2]" 2
371 1 65 VAL H 1 65 VAL MG1 . . 4.010 3.906 3.903 3.908 . 0 0 "[ . 1 . 2]" 2
372 1 65 VAL H 1 65 VAL MG2 . . 4.010 2.664 2.584 2.739 . 0 0 "[ . 1 . 2]" 2
373 1 65 VAL H 1 66 HIS H . . 4.630 4.472 4.469 4.474 . 0 0 "[ . 1 . 2]" 2
374 1 61 PHE QD 1 66 HIS H . . 5.450 4.814 4.401 5.100 . 0 0 "[ . 1 . 2]" 2
375 1 66 HIS H 1 66 HIS HD2 . . 5.500 5.013 4.966 5.065 . 0 0 "[ . 1 . 2]" 2
376 1 66 HIS H 1 66 HIS HD1 . . 5.270 5.078 4.978 5.167 . 0 0 "[ . 1 . 2]" 2
377 1 66 HIS H 1 67 VAL H . . 5.280 4.151 4.114 4.219 . 0 0 "[ . 1 . 2]" 2
378 1 61 PHE HA 1 66 HIS H . . 5.500 5.107 4.917 5.254 . 0 0 "[ . 1 . 2]" 2
379 1 65 VAL HA 1 66 HIS H . . 2.750 2.285 2.278 2.287 . 0 0 "[ . 1 . 2]" 2
380 1 66 HIS H 1 66 HIS HB3 . . 3.350 2.467 2.417 2.560 . 0 0 "[ . 1 . 2]" 2
381 1 66 HIS H 1 66 HIS HB2 . . 3.350 2.932 2.843 2.974 . 0 0 "[ . 1 . 2]" 2
382 1 65 VAL HB 1 66 HIS H . . 4.380 3.701 3.692 3.726 . 0 0 "[ . 1 . 2]" 2
383 1 65 VAL MG1 1 66 HIS H . . 3.970 2.046 1.929 2.107 . 0 0 "[ . 1 . 2]" 2
384 1 65 VAL MG2 1 66 HIS H . . 3.970 3.955 3.947 3.967 . 0 0 "[ . 1 . 2]" 2
385 1 62 ILE H 1 67 VAL H . . 5.500 2.959 2.809 3.078 . 0 0 "[ . 1 . 2]" 2
386 1 66 HIS HD2 1 67 VAL H . . 5.500 2.868 2.629 2.980 . 0 0 "[ . 1 . 2]" 2
387 1 61 PHE QB 1 67 VAL H . . 5.200 4.908 4.679 5.026 . 0 0 "[ . 1 . 2]" 2
388 1 66 HIS HB2 1 67 VAL H . . 5.480 4.456 4.415 4.515 . 0 0 "[ . 1 . 2]" 2
389 1 62 ILE MD 1 67 VAL H . . 5.500 4.427 4.330 4.479 . 0 0 "[ . 1 . 2]" 2
390 1 68 GLY H 1 69 GLY H . . 4.250 3.891 3.684 4.063 . 0 0 "[ . 1 . 2]" 2
391 1 60 ILE H 1 68 GLY H . . 4.270 2.667 2.502 2.773 . 0 0 "[ . 1 . 2]" 2
392 1 67 VAL H 1 68 GLY H . . 3.840 3.222 3.135 3.267 . 0 0 "[ . 1 . 2]" 2
393 1 61 PHE HA 1 68 GLY H . . 5.090 5.006 4.813 5.126 0.036 19 0 "[ . 1 . 2]" 2
394 1 59 GLN HA 1 68 GLY H . . 4.840 4.410 4.207 4.577 . 0 0 "[ . 1 . 2]" 2
395 1 66 HIS HA 1 68 GLY H . . 4.860 4.645 4.583 4.688 . 0 0 "[ . 1 . 2]" 2
396 1 67 VAL HB 1 68 GLY H . . 3.190 1.928 1.910 1.943 . 0 0 "[ . 1 . 2]" 2
397 1 60 ILE MG 1 68 GLY H . . 3.970 3.359 3.242 3.552 . 0 0 "[ . 1 . 2]" 2
398 1 67 VAL MG1 1 68 GLY H . . 4.450 2.489 2.367 2.682 . 0 0 "[ . 1 . 2]" 2
399 1 67 VAL MG2 1 68 GLY H . . 4.450 3.601 3.586 3.610 . 0 0 "[ . 1 . 2]" 2
400 1 57 PHE QE 1 69 GLY H . . 4.470 2.809 2.622 3.019 . 0 0 "[ . 1 . 2]" 2
401 1 69 GLY H 1 70 CYS H . . 4.850 4.144 3.999 4.236 . 0 0 "[ . 1 . 2]" 2
402 1 68 GLY HA3 1 69 GLY H . . 3.450 2.153 2.140 2.178 . 0 0 "[ . 1 . 2]" 2
403 1 69 GLY H 1 72 ASP HA . . 4.580 4.523 4.436 4.618 0.038 19 0 "[ . 1 . 2]" 2
404 1 68 GLY HA2 1 69 GLY H . . 3.450 3.321 3.235 3.399 . 0 0 "[ . 1 . 2]" 2
405 1 69 GLY H 1 72 ASP QB . . 3.140 2.036 1.928 2.266 . 0 0 "[ . 1 . 2]" 2
406 1 60 ILE MD 1 69 GLY H . . 5.350 4.346 3.558 5.382 0.032 2 0 "[ . 1 . 2]" 2
407 1 58 PRO HD2 1 70 CYS H . . 4.440 3.589 3.142 3.885 . 0 0 "[ . 1 . 2]" 2
408 1 58 PRO HD3 1 70 CYS H . . 4.740 4.497 4.199 4.757 0.017 20 0 "[ . 1 . 2]" 2
409 1 70 CYS H 1 70 CYS HB3 . . 4.000 2.532 2.437 2.751 . 0 0 "[ . 1 . 2]" 2
410 1 70 CYS H 1 70 CYS HB2 . . 4.000 2.842 2.328 3.590 . 0 0 "[ . 1 . 2]" 2
411 1 58 PRO HG2 1 70 CYS H . . 4.670 2.008 1.927 2.278 . 0 0 "[ . 1 . 2]" 2
412 1 69 GLY H 1 72 ASP H . . 4.120 2.601 2.399 2.887 . 0 0 "[ . 1 . 2]" 2
413 1 72 ASP H 1 72 ASP QB . . 3.010 2.397 2.291 2.541 . 0 0 "[ . 1 . 2]" 2
414 1 72 ASP H 1 75 ALA MB . . 4.970 4.459 4.303 4.616 . 0 0 "[ . 1 . 2]" 2
415 1 72 ASP H 1 73 LEU HB3 . . 5.360 5.253 4.986 5.397 0.037 7 0 "[ . 1 . 2]" 2
416 1 72 ASP H 1 73 LEU HB2 . . 5.360 4.704 4.449 4.885 . 0 0 "[ . 1 . 2]" 2
417 1 69 GLY H 1 73 LEU H . . 4.680 3.570 3.351 3.788 . 0 0 "[ . 1 . 2]" 2
418 1 73 LEU H 1 74 TYR H . . 3.860 2.733 2.595 2.848 . 0 0 "[ . 1 . 2]" 2
419 1 72 ASP H 1 73 LEU H . . 3.400 2.712 2.572 2.797 . 0 0 "[ . 1 . 2]" 2
420 1 73 LEU H 1 74 TYR QD . . 4.990 4.495 4.266 4.707 . 0 0 "[ . 1 . 2]" 2
421 1 73 LEU H 1 74 TYR HB2 . . 4.950 4.671 4.546 4.772 . 0 0 "[ . 1 . 2]" 2
422 1 72 ASP QB 1 73 LEU H . . 3.340 2.445 2.294 2.692 . 0 0 "[ . 1 . 2]" 2
423 1 73 LEU H 1 73 LEU HB3 . . 3.250 2.886 2.652 3.034 . 0 0 "[ . 1 . 2]" 2
424 1 73 LEU H 1 73 LEU HG . . 4.670 4.427 3.973 4.579 . 0 0 "[ . 1 . 2]" 2
425 1 73 LEU H 1 73 LEU HB2 . . 3.250 2.190 2.096 2.372 . 0 0 "[ . 1 . 2]" 2
426 1 73 LEU H 1 73 LEU MD1 . . 5.360 3.810 3.384 4.276 . 0 0 "[ . 1 . 2]" 2
427 1 73 LEU H 1 73 LEU MD2 . . 5.360 4.178 3.413 4.295 . 0 0 "[ . 1 . 2]" 2
428 1 74 TYR H 1 74 TYR QD . . 3.550 2.478 2.193 2.612 . 0 0 "[ . 1 . 2]" 2
429 1 71 ASP HA 1 74 TYR H . . 4.350 3.741 3.615 3.847 . 0 0 "[ . 1 . 2]" 2
430 1 72 ASP HA 1 74 TYR H . . 5.080 4.453 4.264 4.708 . 0 0 "[ . 1 . 2]" 2
431 1 74 TYR H 1 74 TYR HB2 . . 3.560 2.197 2.160 2.243 . 0 0 "[ . 1 . 2]" 2
432 1 73 LEU HB3 1 74 TYR H . . 4.210 2.589 2.378 2.732 . 0 0 "[ . 1 . 2]" 2
433 1 73 LEU HB2 1 74 TYR H . . 4.210 3.557 3.297 3.773 . 0 0 "[ . 1 . 2]" 2
434 1 73 LEU MD1 1 74 TYR H . . 5.250 4.542 3.111 4.784 . 0 0 "[ . 1 . 2]" 2
435 1 73 LEU MD2 1 74 TYR H . . 5.250 4.245 3.629 4.589 . 0 0 "[ . 1 . 2]" 2
436 1 74 TYR H 1 74 TYR QE . . 4.830 4.759 4.541 4.842 0.012 4 0 "[ . 1 . 2]" 2
437 1 73 LEU H 1 75 ALA H . . 4.310 4.016 3.843 4.152 . 0 0 "[ . 1 . 2]" 2
438 1 75 ALA H 1 76 LEU H . . 3.560 2.473 2.461 2.483 . 0 0 "[ . 1 . 2]" 2
439 1 71 ASP HA 1 75 ALA H . . 4.270 4.100 3.903 4.199 . 0 0 "[ . 1 . 2]" 2
440 1 74 TYR HB2 1 75 ALA H . . 3.550 2.961 2.877 3.056 . 0 0 "[ . 1 . 2]" 2
441 1 74 TYR HB3 1 75 ALA H . . 4.060 3.493 3.383 3.591 . 0 0 "[ . 1 . 2]" 2
442 1 72 ASP QB 1 75 ALA H . . 5.090 4.733 4.625 4.887 . 0 0 "[ . 1 . 2]" 2
443 1 75 ALA H 1 75 ALA MB . . 2.750 2.180 2.067 2.256 . 0 0 "[ . 1 . 2]" 2
444 1 75 ALA H 1 76 LEU HG . . 5.500 5.640 5.621 5.657 0.157 4 0 "[ . 1 . 2]" 2
445 1 75 ALA H 1 77 GLU QB . . 5.500 5.437 4.789 5.548 0.048 3 0 "[ . 1 . 2]" 2
446 1 76 LEU H 1 78 ASP H . . 5.130 3.833 3.756 4.184 . 0 0 "[ . 1 . 2]" 2
447 1 73 LEU H 1 76 LEU H . . 5.500 4.667 4.533 4.735 . 0 0 "[ . 1 . 2]" 2
448 1 76 LEU H 1 79 GLU H . . 5.500 5.029 4.854 5.149 . 0 0 "[ . 1 . 2]" 2
449 1 72 ASP HA 1 76 LEU H . . 4.790 4.038 3.822 4.210 . 0 0 "[ . 1 . 2]" 2
450 1 73 LEU HA 1 76 LEU H . . 4.370 3.513 3.474 3.595 . 0 0 "[ . 1 . 2]" 2
451 1 76 LEU H 1 76 LEU HB2 . . 3.590 2.203 2.191 2.210 . 0 0 "[ . 1 . 2]" 2
452 1 76 LEU H 1 76 LEU HG . . 4.040 3.693 3.660 3.712 . 0 0 "[ . 1 . 2]" 2
453 1 76 LEU H 1 76 LEU HB3 . . 3.870 3.507 3.497 3.512 . 0 0 "[ . 1 . 2]" 2
454 1 75 ALA H 1 77 GLU H . . 4.470 4.213 3.919 4.318 . 0 0 "[ . 1 . 2]" 2
455 1 77 GLU H 1 78 ASP HA . . 5.500 5.284 5.193 5.350 . 0 0 "[ . 1 . 2]" 2
456 1 75 ALA HA 1 77 GLU H . . 5.120 4.785 4.245 4.877 . 0 0 "[ . 1 . 2]" 2
457 1 74 TYR HA 1 77 GLU H . . 3.760 3.662 3.452 3.760 . 0 0 "[ . 1 . 2]" 2
458 1 77 GLU H 1 78 ASP HB3 . . 5.500 5.377 5.164 5.468 . 0 0 "[ . 1 . 2]" 2
459 1 76 LEU HB2 1 77 GLU H . . 3.520 2.621 2.554 3.005 . 0 0 "[ . 1 . 2]" 2
460 1 77 GLU H 1 77 GLU QB . . 3.010 2.241 2.048 2.304 . 0 0 "[ . 1 . 2]" 2
461 1 75 ALA MB 1 77 GLU H . . 4.980 4.782 4.492 4.876 . 0 0 "[ . 1 . 2]" 2
462 1 76 LEU HB3 1 77 GLU H . . 3.710 3.193 3.107 3.571 . 0 0 "[ . 1 . 2]" 2
463 1 77 GLU H 1 82 LEU QD . . 3.480 2.941 2.308 3.475 . 0 0 "[ . 1 . 2]" 2
464 1 25 LEU MD2 1 77 GLU H . . 5.500 4.718 3.804 5.534 0.034 9 0 "[ . 1 . 2]" 2
465 1 25 LEU MD1 1 77 GLU H . . 5.500 4.793 3.913 5.546 0.046 19 0 "[ . 1 . 2]" 2
466 1 75 ALA H 1 78 ASP H . . 4.870 4.851 4.778 4.904 0.034 19 0 "[ . 1 . 2]" 2
467 1 77 GLU H 1 78 ASP H . . 3.370 2.703 2.579 2.774 . 0 0 "[ . 1 . 2]" 2
468 1 76 LEU HA 1 78 ASP H . . 4.580 4.064 3.911 4.582 0.002 15 0 "[ . 1 . 2]" 2
469 1 74 TYR HA 1 78 ASP H . . 4.280 4.240 4.024 4.294 0.014 8 0 "[ . 1 . 2]" 2
470 1 78 ASP H 1 78 ASP HB3 . . 3.050 2.883 2.785 2.937 . 0 0 "[ . 1 . 2]" 2
471 1 78 ASP H 1 78 ASP HB2 . . 3.250 2.237 2.191 2.300 . 0 0 "[ . 1 . 2]" 2
472 1 77 GLU QB 1 78 ASP H . . 3.790 3.415 2.589 3.592 . 0 0 "[ . 1 . 2]" 2
473 1 78 ASP H 1 79 GLU HG3 . . 4.930 4.555 4.286 4.932 0.002 16 0 "[ . 1 . 2]" 2
474 1 75 ALA MB 1 78 ASP H . . 5.030 4.788 4.712 4.911 . 0 0 "[ . 1 . 2]" 2
475 1 78 ASP H 1 79 GLU H . . 3.300 2.603 2.485 2.717 . 0 0 "[ . 1 . 2]" 2
476 1 79 GLU H 1 81 LYS H . . 3.970 3.707 3.613 3.805 . 0 0 "[ . 1 . 2]" 2
477 1 77 GLU H 1 79 GLU H . . 4.450 4.183 3.877 4.395 . 0 0 "[ . 1 . 2]" 2
478 1 77 GLU HA 1 79 GLU H . . 4.710 3.887 3.794 4.137 . 0 0 "[ . 1 . 2]" 2
479 1 76 LEU HA 1 79 GLU H . . 3.700 3.506 3.323 3.649 . 0 0 "[ . 1 . 2]" 2
480 1 78 ASP HB3 1 79 GLU H . . 3.490 2.999 2.668 3.091 . 0 0 "[ . 1 . 2]" 2
481 1 78 ASP HB2 1 79 GLU H . . 4.020 3.792 3.732 3.831 . 0 0 "[ . 1 . 2]" 2
482 1 79 GLU H 1 79 GLU HG3 . . 3.340 2.818 2.546 3.047 . 0 0 "[ . 1 . 2]" 2
483 1 79 GLU H 1 79 GLU HG2 . . 3.500 2.825 2.561 3.049 . 0 0 "[ . 1 . 2]" 2
484 1 79 GLU H 1 79 GLU HB3 . . 3.720 3.688 3.645 3.723 0.003 2 0 "[ . 1 . 2]" 2
485 1 79 GLU H 1 79 GLU HB2 . . 3.010 2.642 2.491 2.697 . 0 0 "[ . 1 . 2]" 2
486 1 79 GLU H 1 81 LYS QG . . 4.720 4.235 3.468 4.606 . 0 0 "[ . 1 . 2]" 2
487 1 76 LEU HB3 1 79 GLU H . . 5.500 4.967 4.869 5.248 . 0 0 "[ . 1 . 2]" 2
488 1 76 LEU MD1 1 79 GLU H . . 5.500 5.149 4.999 5.395 . 0 0 "[ . 1 . 2]" 2
489 1 76 LEU MD2 1 79 GLU H . . 5.500 4.919 4.754 5.003 . 0 0 "[ . 1 . 2]" 2
490 1 79 GLU H 1 80 GLY H . . 3.100 2.146 2.037 2.360 . 0 0 "[ . 1 . 2]" 2
491 1 80 GLY H 1 81 LYS H . . 3.060 2.456 2.290 2.711 . 0 0 "[ . 1 . 2]" 2
492 1 78 ASP H 1 80 GLY H . . 4.300 3.854 3.773 3.976 . 0 0 "[ . 1 . 2]" 2
493 1 80 GLY H 1 80 GLY QA . . 2.660 2.227 2.196 2.257 . 0 0 "[ . 1 . 2]" 2
494 1 77 GLU HA 1 80 GLY H . . 3.960 3.015 2.877 3.383 . 0 0 "[ . 1 . 2]" 2
495 1 78 ASP HA 1 80 GLY H . . 4.420 4.245 3.754 4.385 . 0 0 "[ . 1 . 2]" 2
496 1 78 ASP HB3 1 80 GLY H . . 5.240 4.956 4.728 5.021 . 0 0 "[ . 1 . 2]" 2
497 1 79 GLU HG3 1 80 GLY H . . 4.800 4.480 4.273 4.866 0.066 11 0 "[ . 1 . 2]" 2
498 1 79 GLU HG2 1 80 GLY H . . 4.680 4.540 4.399 4.736 0.056 11 0 "[ . 1 . 2]" 2
499 1 79 GLU HB3 1 80 GLY H . . 4.460 4.162 4.037 4.264 . 0 0 "[ . 1 . 2]" 2
500 1 79 GLU HB2 1 80 GLY H . . 3.790 3.138 3.091 3.464 . 0 0 "[ . 1 . 2]" 2
501 1 80 GLY H 1 81 LYS HB2 . . 5.080 4.832 4.620 5.145 0.065 11 0 "[ . 1 . 2]" 2
502 1 80 GLY H 1 81 LYS QG . . 4.350 3.814 3.224 4.133 . 0 0 "[ . 1 . 2]" 2
503 1 76 LEU HB3 1 80 GLY H . . 5.500 4.959 4.713 5.494 . 0 0 "[ . 1 . 2]" 2
504 1 80 GLY H 1 82 LEU QD . . 5.500 5.153 4.437 5.501 0.001 12 0 "[ . 1 . 2]" 2
505 1 81 LYS H 1 83 ASP H . . 4.290 4.261 4.142 4.303 0.013 18 0 "[ . 1 . 2]" 2
506 1 77 GLU HA 1 81 LYS H . . 4.190 3.970 3.530 4.211 0.021 5 0 "[ . 1 . 2]" 2
507 1 79 GLU HA 1 81 LYS H . . 5.130 4.768 4.446 5.009 . 0 0 "[ . 1 . 2]" 2
508 1 80 GLY QA 1 81 LYS H . . 3.270 2.816 2.775 2.856 . 0 0 "[ . 1 . 2]" 2
509 1 81 LYS H 1 81 LYS QE . . 4.700 3.671 3.200 4.712 0.012 5 0 "[ . 1 . 2]" 2
510 1 79 GLU HG3 1 81 LYS H . . 5.040 4.781 4.620 4.964 . 0 0 "[ . 1 . 2]" 2
511 1 79 GLU HG2 1 81 LYS H . . 5.500 5.497 5.454 5.535 0.035 12 0 "[ . 1 . 2]" 2
512 1 79 GLU HB3 1 81 LYS H . . 4.840 4.182 3.761 4.622 . 0 0 "[ . 1 . 2]" 2
513 1 79 GLU HB2 1 81 LYS H . . 3.280 2.890 2.711 3.174 . 0 0 "[ . 1 . 2]" 2
514 1 81 LYS H 1 81 LYS HB2 . . 3.160 2.590 2.482 2.869 . 0 0 "[ . 1 . 2]" 2
515 1 81 LYS H 1 81 LYS QG . . 3.230 2.331 1.933 2.531 . 0 0 "[ . 1 . 2]" 2
516 1 76 LEU HB3 1 81 LYS H . . 4.410 3.963 3.620 4.386 . 0 0 "[ . 1 . 2]" 2
517 1 82 LEU H 1 83 ASP H . . 3.210 2.810 2.775 2.876 . 0 0 "[ . 1 . 2]" 2
518 1 82 LEU H 1 84 SER H . . 4.630 4.366 4.203 4.503 . 0 0 "[ . 1 . 2]" 2
519 1 81 LYS H 1 82 LEU H . . 3.000 2.200 2.004 2.359 . 0 0 "[ . 1 . 2]" 2
520 1 80 GLY H 1 82 LEU H . . 4.120 3.870 3.699 4.039 . 0 0 "[ . 1 . 2]" 2
521 1 77 GLU HA 1 82 LEU H . . 3.760 3.594 3.199 3.768 0.008 13 0 "[ . 1 . 2]" 2
522 1 82 LEU H 1 83 ASP HA . . 5.500 5.375 5.344 5.429 . 0 0 "[ . 1 . 2]" 2
523 1 82 LEU H 1 83 ASP QB . . 4.760 4.535 4.475 4.596 . 0 0 "[ . 1 . 2]" 2
524 1 81 LYS HB3 1 82 LEU H . . 4.340 4.076 3.983 4.150 . 0 0 "[ . 1 . 2]" 2
525 1 81 LYS HB2 1 82 LEU H . . 3.520 3.046 2.809 3.149 . 0 0 "[ . 1 . 2]" 2
526 1 76 LEU HB3 1 82 LEU H . . 3.730 3.027 2.611 3.590 . 0 0 "[ . 1 . 2]" 2
527 1 83 ASP H 1 84 SER H . . 3.300 2.783 2.704 2.859 . 0 0 "[ . 1 . 2]" 2
528 1 26 LEU H 1 27 ALA H . . 3.240 2.619 2.464 2.884 . 0 0 "[ . 1 . 2]" 2
529 1 77 GLU HA 1 83 ASP H . . 5.310 5.037 4.272 5.322 0.012 11 0 "[ . 1 . 2]" 2
530 1 83 ASP H 1 83 ASP QB . . 2.820 2.207 2.094 2.257 . 0 0 "[ . 1 . 2]" 2
531 1 82 LEU HB3 1 83 ASP H . . 3.940 2.936 2.424 3.783 . 0 0 "[ . 1 . 2]" 2
532 1 82 LEU HB2 1 83 ASP H . . 3.940 3.304 2.705 3.840 . 0 0 "[ . 1 . 2]" 2
533 1 82 LEU QD 1 83 ASP H . . 4.610 4.005 3.691 4.208 . 0 0 "[ . 1 . 2]" 2
534 1 81 LYS H 1 84 SER H . . 5.500 5.356 5.116 5.490 . 0 0 "[ . 1 . 2]" 2
535 1 84 SER H 1 85 LEU H . . 3.260 2.398 2.373 2.516 . 0 0 "[ . 1 . 2]" 2
536 1 81 LYS HA 1 84 SER H . . 4.220 3.352 3.235 3.434 . 0 0 "[ . 1 . 2]" 2
537 1 84 SER H 1 84 SER QB . . 2.950 2.397 2.186 2.667 . 0 0 "[ . 1 . 2]" 2
538 1 83 ASP QB 1 84 SER H . . 3.090 2.623 2.481 2.726 . 0 0 "[ . 1 . 2]" 2
539 1 81 LYS HB3 1 84 SER H . . 5.180 4.696 4.562 5.077 . 0 0 "[ . 1 . 2]" 2
540 1 84 SER H 1 85 LEU HB2 . . 4.310 4.249 4.185 4.324 0.014 20 0 "[ . 1 . 2]" 2
541 1 82 LEU QD 1 84 SER H . . 5.500 5.272 4.780 5.503 0.003 4 0 "[ . 1 . 2]" 2
542 1 83 ASP H 1 85 LEU H . . 4.730 3.952 3.814 4.228 . 0 0 "[ . 1 . 2]" 2
543 1 85 LEU H 1 86 LEU H . . 3.020 2.599 2.519 2.710 . 0 0 "[ . 1 . 2]" 2
544 1 84 SER QB 1 85 LEU H . . 3.230 2.876 2.573 2.928 . 0 0 "[ . 1 . 2]" 2
545 1 83 ASP QB 1 85 LEU H . . 4.770 4.540 4.440 4.786 0.016 14 0 "[ . 1 . 2]" 2
546 1 85 LEU H 1 85 LEU HB3 . . 3.540 3.447 3.366 3.511 . 0 0 "[ . 1 . 2]" 2
547 1 85 LEU H 1 85 LEU HB2 . . 3.020 2.133 2.071 2.209 . 0 0 "[ . 1 . 2]" 2
548 1 85 LEU H 1 85 LEU HG . . 4.150 3.831 2.856 4.235 0.085 13 0 "[ . 1 . 2]" 2
549 1 85 LEU H 1 85 LEU MD2 . . 4.170 2.844 2.232 4.007 . 0 0 "[ . 1 . 2]" 2
550 1 85 LEU H 1 86 LEU HG . . 4.090 3.906 3.737 4.017 . 0 0 "[ . 1 . 2]" 2
551 1 85 LEU H 1 88 THR H . . 5.340 4.653 4.559 4.837 . 0 0 "[ . 1 . 2]" 2
552 1 86 LEU H 1 87 LYS H . . 2.940 2.354 2.342 2.466 . 0 0 "[ . 1 . 2]" 2
553 1 86 LEU H 1 88 THR H . . 4.440 4.165 3.900 4.288 . 0 0 "[ . 1 . 2]" 2
554 1 86 LEU H 1 89 GLY H . . 5.380 4.411 4.340 4.509 . 0 0 "[ . 1 . 2]" 2
555 1 82 LEU HA 1 86 LEU H . . 4.340 4.007 3.705 4.419 0.079 20 0 "[ . 1 . 2]" 2
556 1 83 ASP QB 1 86 LEU H . . 5.390 5.198 5.049 5.311 . 0 0 "[ . 1 . 2]" 2
557 1 86 LEU H 1 86 LEU HG . . 3.000 1.970 1.937 2.055 . 0 0 "[ . 1 . 2]" 2
558 1 85 LEU HB2 1 86 LEU H . . 3.050 2.890 2.777 3.093 0.043 20 0 "[ . 1 . 2]" 2
559 1 86 LEU H 1 86 LEU MD1 . . 4.140 3.480 3.377 3.650 . 0 0 "[ . 1 . 2]" 2
560 1 86 LEU H 1 86 LEU MD2 . . 4.140 3.109 2.450 3.240 . 0 0 "[ . 1 . 2]" 2
561 1 62 ILE MG 1 86 LEU H . . 4.030 3.670 3.444 3.969 . 0 0 "[ . 1 . 2]" 2
562 1 8 VAL MG2 1 86 LEU H . . 5.500 5.472 5.308 5.523 0.023 13 0 "[ . 1 . 2]" 2
563 1 87 LYS H 1 88 THR H . . 3.150 2.473 2.214 2.549 . 0 0 "[ . 1 . 2]" 2
564 1 87 LYS H 1 88 THR HA . . 5.340 5.124 4.924 5.190 . 0 0 "[ . 1 . 2]" 2
565 1 84 SER HA 1 87 LYS H . . 3.370 3.228 3.152 3.351 . 0 0 "[ . 1 . 2]" 2
566 1 86 LEU MD1 1 87 LYS H . . 4.760 2.847 2.549 4.769 0.009 20 0 "[ . 1 . 2]" 2
567 1 86 LEU MD2 1 87 LYS H . . 4.760 4.175 4.101 4.283 . 0 0 "[ . 1 . 2]" 2
568 1 86 LEU HG 1 87 LYS H . . 3.850 2.611 2.449 3.891 0.041 20 0 "[ . 1 . 2]" 2
569 1 87 LYS H 1 87 LYS HG2 . . 4.910 4.042 3.157 4.662 . 0 0 "[ . 1 . 2]" 2
570 1 87 LYS H 1 88 THR MG . . 4.000 3.967 3.695 4.012 0.012 5 0 "[ . 1 . 2]" 2
571 1 62 ILE MG 1 87 LYS H . . 5.030 4.682 4.483 4.910 . 0 0 "[ . 1 . 2]" 2
572 1 84 SER QB 1 88 THR H . . 4.850 4.345 4.114 4.753 . 0 0 "[ . 1 . 2]" 2
573 1 85 LEU HA 1 88 THR H . . 4.030 3.811 3.288 3.941 . 0 0 "[ . 1 . 2]" 2
574 1 84 SER HA 1 88 THR H . . 4.200 3.531 3.337 4.035 . 0 0 "[ . 1 . 2]" 2
575 1 6 VAL QG 1 88 THR H . . 4.240 3.903 3.509 4.107 . 0 0 "[ . 1 . 2]" 2
576 1 87 LYS HG3 1 88 THR H . . 5.500 4.790 4.306 5.210 . 0 0 "[ . 1 . 2]" 2
577 1 88 THR H 1 90 LYS QD . . 5.500 5.077 4.661 5.513 0.013 20 0 "[ . 1 . 2]" 2
578 1 87 LYS HG2 1 88 THR H . . 5.500 4.831 4.249 5.054 . 0 0 "[ . 1 . 2]" 2
579 1 88 THR H 1 88 THR MG . . 3.150 2.182 1.955 2.582 . 0 0 "[ . 1 . 2]" 2
580 1 88 THR H 1 89 GLY H . . 2.960 2.307 2.241 2.331 . 0 0 "[ . 1 . 2]" 2
581 1 87 LYS H 1 89 GLY H . . 4.060 3.693 3.547 3.775 . 0 0 "[ . 1 . 2]" 2
582 1 85 LEU HA 1 89 GLY H . . 3.470 3.213 2.869 3.469 . 0 0 "[ . 1 . 2]" 2
583 1 86 LEU HA 1 89 GLY H . . 4.420 3.843 3.627 4.061 . 0 0 "[ . 1 . 2]" 2
584 1 85 LEU HB3 1 89 GLY H . . 5.500 4.806 4.535 4.934 . 0 0 "[ . 1 . 2]" 2
585 1 87 LYS HB2 1 89 GLY H . . 5.500 5.051 4.747 5.503 0.003 13 0 "[ . 1 . 2]" 2
586 1 87 LYS HB3 1 89 GLY H . . 5.500 5.192 4.677 5.508 0.008 20 0 "[ . 1 . 2]" 2
587 1 89 GLY H 1 90 LYS QD . . 4.290 3.831 3.492 4.301 0.011 14 0 "[ . 1 . 2]" 2
588 1 88 THR MG 1 89 GLY H . . 3.860 3.626 1.931 3.923 0.063 20 0 "[ . 1 . 2]" 2
589 1 6 VAL QG 1 89 GLY H . . 3.210 2.917 2.548 3.058 . 0 0 "[ . 1 . 2]" 2
590 1 62 ILE MG 1 89 GLY H . . 3.750 3.555 3.325 3.697 . 0 0 "[ . 1 . 2]" 2
591 1 89 GLY H 1 90 LYS H . . 3.270 2.342 2.267 2.537 . 0 0 "[ . 1 . 2]" 2
592 1 88 THR H 1 90 LYS H . . 4.090 4.041 3.965 4.094 0.004 20 0 "[ . 1 . 2]" 2
593 1 85 LEU HA 1 90 LYS H . . 3.640 3.179 2.646 3.680 0.040 14 0 "[ . 1 . 2]" 2
594 1 88 THR HB 1 90 LYS H . . 3.920 3.696 3.097 4.146 0.226 14 0 "[ . 1 . 2]" 2
595 1 90 LYS H 1 90 LYS QD . . 3.230 2.771 2.533 2.934 . 0 0 "[ . 1 . 2]" 2
596 1 88 THR MG 1 90 LYS H . . 4.340 4.069 1.907 4.289 . 0 0 "[ . 1 . 2]" 2
597 1 6 VAL QG 1 90 LYS H . . 4.130 4.100 3.916 4.153 0.023 13 0 "[ . 1 . 2]" 2
598 1 90 LYS H 1 91 LEU H . . 4.440 4.363 4.262 4.421 . 0 0 "[ . 1 . 2]" 2
599 1 90 LYS HA 1 91 LEU H . . 2.600 2.386 2.231 2.582 . 0 0 "[ . 1 . 2]" 2
600 1 90 LYS QG 1 91 LEU H . . 3.850 3.698 3.315 3.856 0.006 13 0 "[ . 1 . 2]" 2
601 1 91 LEU H 1 91 LEU QD . . 4.010 2.978 1.875 3.845 . 0 0 "[ . 1 . 2]" 2
602 1 65 VAL MG1 1 91 LEU H . . 4.240 3.871 3.101 4.243 0.003 14 0 "[ . 1 . 2]" 2
603 1 91 LEU H 1 92 ILE H . . 4.580 4.462 4.326 4.585 0.005 14 0 "[ . 1 . 2]" 2
604 1 91 LEU HA 1 92 ILE H . . 2.660 2.171 2.140 2.228 . 0 0 "[ . 1 . 2]" 2
605 1 92 ILE H 1 92 ILE HB . . 3.730 3.212 2.520 3.728 . 0 0 "[ . 1 . 2]" 2
606 1 92 ILE H 1 92 ILE HG13 . . 3.900 2.652 2.016 3.789 . 0 0 "[ . 1 . 2]" 2
607 1 92 ILE H 1 92 ILE HG12 . . 3.900 2.837 2.026 3.892 . 0 0 "[ . 1 . 2]" 2
608 1 92 ILE H 1 92 ILE MG . . 4.270 3.077 2.049 4.002 . 0 0 "[ . 1 . 2]" 2
609 1 92 ILE H 1 92 ILE MD . . 4.330 3.583 1.977 4.131 . 0 0 "[ . 1 . 2]" 2
610 1 85 LEU MD1 1 92 ILE H . . 5.500 4.075 2.245 5.454 . 0 0 "[ . 1 . 2]" 2
611 1 85 LEU MD2 1 92 ILE H . . 5.500 3.631 2.527 4.824 . 0 0 "[ . 1 . 2]" 2
612 1 46 ALA HA 1 49 GLN HE21 . . 5.120 4.502 3.393 5.127 0.007 8 0 "[ . 1 . 2]" 2
613 1 46 ALA HA 1 49 GLN HE22 . . 5.120 4.585 3.828 5.166 0.046 2 0 "[ . 1 . 2]" 2
614 1 49 GLN HB3 1 49 GLN HE22 . . 4.860 3.812 3.453 4.765 . 0 0 "[ . 1 . 2]" 2
615 1 49 GLN HB2 1 49 GLN HE22 . . 4.860 3.860 3.501 4.902 0.042 2 0 "[ . 1 . 2]" 2
616 1 49 GLN HE22 1 55 ASN QB . . 5.500 5.311 4.789 5.528 0.028 15 0 "[ . 1 . 2]" 2
617 1 49 GLN HE21 1 55 ASN QB . . 5.500 5.132 4.695 5.527 0.027 16 0 "[ . 1 . 2]" 2
618 1 48 MET QG 1 59 GLN HE21 . . 4.670 3.600 3.090 4.709 0.039 20 0 "[ . 1 . 2]" 2
619 1 48 MET QG 1 59 GLN HE22 . . 4.670 2.903 1.817 4.726 0.056 7 0 "[ . 1 . 2]" 2
620 1 57 PHE HA 1 59 GLN HE22 . . 5.500 5.456 4.995 5.753 0.253 12 0 "[ . 1 . 2]" 2
621 1 57 PHE HA 1 59 GLN HE21 . . 5.500 5.265 4.953 5.688 0.188 20 0 "[ . 1 . 2]" 2
622 1 59 GLN HA 1 59 GLN HE21 . . 5.140 3.583 2.960 4.650 . 0 0 "[ . 1 . 2]" 2
623 1 59 GLN HA 1 59 GLN HE22 . . 5.140 4.801 4.544 5.298 0.158 1 0 "[ . 1 . 2]" 2
624 1 34 ASN HA 1 34 ASN HD22 . . 5.010 4.481 4.257 4.727 . 0 0 "[ . 1 . 2]" 2
625 1 9 ILE MG 1 34 ASN HD21 . . 5.090 3.334 2.832 4.043 . 0 0 "[ . 1 . 2]" 2
626 1 34 ASN HD21 1 36 ILE MD . . 4.580 2.648 1.938 3.619 . 0 0 "[ . 1 . 2]" 2
627 1 34 ASN HD22 1 36 ILE MD . . 4.580 3.397 2.477 4.554 . 0 0 "[ . 1 . 2]" 2
628 1 9 ILE MG 1 34 ASN HD22 . . 5.090 4.545 3.972 5.092 0.002 10 0 "[ . 1 . 2]" 2
629 1 55 ASN QB 1 55 ASN HD22 . . 3.560 3.266 3.216 3.398 . 0 0 "[ . 1 . 2]" 2
630 1 17 PRO HA 1 20 ALA MB . . 3.130 2.815 2.536 3.133 0.003 11 0 "[ . 1 . 2]" 2
631 1 6 VAL H 1 6 VAL HB . . 3.890 3.791 3.728 3.874 . 0 0 "[ . 1 . 2]" 2
632 1 6 VAL HA 1 6 VAL QG . . 2.940 2.149 2.091 2.333 . 0 0 "[ . 1 . 2]" 2
633 1 6 VAL QG 1 88 THR HA . . 4.010 3.616 3.374 3.889 . 0 0 "[ . 1 . 2]" 2
634 1 6 VAL QG 1 7 ASP H . . 3.690 3.331 3.177 3.430 . 0 0 "[ . 1 . 2]" 2
635 1 7 ASP QB 1 8 VAL H . . 3.740 3.430 3.026 3.741 0.001 14 0 "[ . 1 . 2]" 2
636 1 8 VAL HB 1 33 PHE QB . . 3.690 2.606 2.396 2.756 . 0 0 "[ . 1 . 2]" 2
637 1 8 VAL MG2 1 31 ALA MB . . 3.900 3.836 3.377 3.910 0.010 4 0 "[ . 1 . 2]" 2
638 1 8 VAL MG2 1 62 ILE HB . . 4.870 4.652 4.365 4.886 0.016 4 0 "[ . 1 . 2]" 2
639 1 8 VAL MG1 1 10 ILE HB . . 3.860 3.751 3.623 3.873 0.013 19 0 "[ . 1 . 2]" 2
640 1 8 VAL MG2 1 33 PHE QB . . 4.070 3.651 3.547 3.797 . 0 0 "[ . 1 . 2]" 2
641 1 8 VAL MG1 1 33 PHE QB . . 3.300 2.080 1.892 2.263 . 0 0 "[ . 1 . 2]" 2
642 1 8 VAL MG2 1 62 ILE HA . . 3.600 2.646 2.379 2.976 . 0 0 "[ . 1 . 2]" 2
643 1 8 VAL MG2 1 33 PHE HA . . 4.130 4.062 3.839 4.138 0.008 5 0 "[ . 1 . 2]" 2
644 1 8 VAL HA 1 8 VAL MG2 . . 3.380 2.383 2.291 2.451 . 0 0 "[ . 1 . 2]" 2
645 1 8 VAL HA 1 8 VAL MG1 . . 3.330 2.352 2.277 2.402 . 0 0 "[ . 1 . 2]" 2
646 1 8 VAL MG2 1 63 GLY H . . 3.750 3.110 2.657 3.598 . 0 0 "[ . 1 . 2]" 2
647 1 8 VAL MG1 1 9 ILE H . . 3.540 2.567 2.328 2.932 . 0 0 "[ . 1 . 2]" 2
648 1 9 ILE HA 1 34 ASN QB . . 4.140 2.612 2.354 2.795 . 0 0 "[ . 1 . 2]" 2
649 1 9 ILE HB 1 9 ILE MD . . 3.530 2.371 2.332 2.451 . 0 0 "[ . 1 . 2]" 2
650 1 9 ILE HB 1 61 PHE QB . . 3.510 2.278 2.069 2.489 . 0 0 "[ . 1 . 2]" 2
651 1 29 LYS QD 1 82 LEU QD . . 3.320 2.734 1.835 3.331 0.011 4 0 "[ . 1 . 2]" 2
652 1 9 ILE H 1 9 ILE HG13 . . 4.530 2.655 2.474 2.793 . 0 0 "[ . 1 . 2]" 2
653 1 9 ILE MG 1 36 ILE MD . . 2.930 1.852 1.771 1.949 . 0 0 "[ . 1 . 2]" 2
654 1 9 ILE HA 1 9 ILE MG . . 3.340 2.286 2.216 2.365 . 0 0 "[ . 1 . 2]" 2
655 1 9 ILE MG 1 10 ILE H . . 3.560 2.302 1.932 2.575 . 0 0 "[ . 1 . 2]" 2
656 1 9 ILE HA 1 9 ILE MD . . 4.050 3.864 3.851 3.871 . 0 0 "[ . 1 . 2]" 2
657 1 9 ILE MD 1 36 ILE MD . . 3.620 3.028 2.821 3.261 . 0 0 "[ . 1 . 2]" 2
658 1 10 ILE HA 1 10 ILE MG . . 3.660 3.200 3.194 3.203 . 0 0 "[ . 1 . 2]" 2
659 1 10 ILE HA 1 60 ILE MD . . 4.120 3.854 3.268 4.199 0.079 14 0 "[ . 1 . 2]" 2
660 1 10 ILE HA 1 10 ILE HG12 . . 4.110 3.285 2.210 3.525 . 0 0 "[ . 1 . 2]" 2
661 1 10 ILE HA 1 10 ILE HG13 . . 4.110 2.369 2.231 3.433 . 0 0 "[ . 1 . 2]" 2
662 1 10 ILE HA 1 60 ILE HA . . 4.040 2.830 2.603 3.036 . 0 0 "[ . 1 . 2]" 2
663 1 10 ILE HA 1 11 TYR H . . 3.430 2.180 2.163 2.199 . 0 0 "[ . 1 . 2]" 2
664 1 10 ILE HB 1 10 ILE MD . . 3.540 2.276 2.043 3.162 . 0 0 "[ . 1 . 2]" 2
665 1 10 ILE MD 1 10 ILE MG . . 2.950 2.324 1.841 2.632 . 0 0 "[ . 1 . 2]" 2
666 1 10 ILE MG 1 23 LYS QB . . 4.700 4.284 3.846 4.719 0.019 9 0 "[ . 1 . 2]" 2
667 1 10 ILE MG 1 35 GLU HB3 . . 5.060 4.187 4.138 4.304 . 0 0 "[ . 1 . 2]" 2
668 1 9 ILE HA 1 10 ILE MG . . 4.330 3.722 3.563 3.870 . 0 0 "[ . 1 . 2]" 2
669 1 10 ILE MG 1 36 ILE H . . 3.740 2.712 2.618 2.802 . 0 0 "[ . 1 . 2]" 2
670 1 10 ILE H 1 10 ILE MG . . 3.370 2.131 1.984 2.276 . 0 0 "[ . 1 . 2]" 2
671 1 10 ILE MD 1 60 ILE MD . . 3.260 2.307 1.875 3.128 . 0 0 "[ . 1 . 2]" 2
672 1 10 ILE MD 1 23 LYS HG2 . . 3.490 1.991 1.878 2.376 . 0 0 "[ . 1 . 2]" 2
673 1 11 TYR HA 1 12 THR MG . . 4.660 3.625 3.490 3.901 . 0 0 "[ . 1 . 2]" 2
674 1 11 TYR HA 1 36 ILE MG . . 4.410 4.087 3.952 4.281 . 0 0 "[ . 1 . 2]" 2
675 1 11 TYR HA 1 36 ILE H . . 4.280 3.218 3.109 3.334 . 0 0 "[ . 1 . 2]" 2
676 1 10 ILE H 1 11 TYR HA . . 5.490 4.881 4.789 4.978 . 0 0 "[ . 1 . 2]" 2
677 1 11 TYR QB 1 59 GLN H . . 4.310 2.924 2.818 3.169 . 0 0 "[ . 1 . 2]" 2
678 1 11 TYR H 1 11 TYR QB . . 3.920 2.314 2.258 2.362 . 0 0 "[ . 1 . 2]" 2
679 1 12 THR HA 1 13 ARG HA . . 5.100 4.440 4.363 4.591 . 0 0 "[ . 1 . 2]" 2
680 1 12 THR HA 1 58 PRO HB3 . . 4.420 4.135 3.755 4.454 0.034 2 0 "[ . 1 . 2]" 2
681 1 12 THR HA 1 12 THR MG . . 3.480 2.682 2.256 3.190 . 0 0 "[ . 1 . 2]" 2
682 1 12 THR HA 1 58 PRO HA . . 4.400 3.129 2.951 3.236 . 0 0 "[ . 1 . 2]" 2
683 1 12 THR HB 1 13 ARG H . . 3.790 2.798 1.952 3.749 . 0 0 "[ . 1 . 2]" 2
684 1 12 THR MG 1 13 ARG H . . 3.980 3.804 3.551 4.002 0.022 14 0 "[ . 1 . 2]" 2
685 1 11 TYR QD 1 12 THR MG . . 5.490 5.211 5.006 5.463 . 0 0 "[ . 1 . 2]" 2
686 1 12 THR MG 1 23 LYS H . . 5.500 4.745 4.179 5.508 0.008 15 0 "[ . 1 . 2]" 2
687 1 12 THR MG 1 59 GLN H . . 5.500 4.101 3.370 5.155 . 0 0 "[ . 1 . 2]" 2
688 1 56 THR MG 1 57 PHE H . . 3.830 2.887 2.344 3.454 . 0 0 "[ . 1 . 2]" 2
689 1 12 THR MG 1 36 ILE H . . 4.750 4.037 3.518 4.395 . 0 0 "[ . 1 . 2]" 2
690 1 12 THR H 1 12 THR MG . . 4.090 2.624 2.102 2.963 . 0 0 "[ . 1 . 2]" 2
691 1 10 ILE MG 1 12 THR MG . . 3.330 2.818 2.599 3.109 . 0 0 "[ . 1 . 2]" 2
692 1 13 ARG HB2 1 13 ARG HD3 . . 4.090 3.220 2.012 4.016 . 0 0 "[ . 1 . 2]" 2
693 1 13 ARG HB2 1 14 PRO HD2 . . 4.620 1.925 1.882 1.968 . 0 0 "[ . 1 . 2]" 2
694 1 13 ARG HB2 1 14 PRO HD3 . . 4.620 3.313 3.203 3.417 . 0 0 "[ . 1 . 2]" 2
695 1 13 ARG HB2 1 13 ARG HD2 . . 4.090 3.054 2.346 3.639 . 0 0 "[ . 1 . 2]" 2
696 1 13 ARG HB3 1 13 ARG HD3 . . 4.090 3.305 2.675 3.827 . 0 0 "[ . 1 . 2]" 2
697 1 13 ARG HB3 1 13 ARG HD2 . . 4.090 2.872 1.980 4.136 0.046 11 0 "[ . 1 . 2]" 2
698 1 16 CYS H 1 16 CYS HB3 . . 3.940 2.905 2.467 3.507 . 0 0 "[ . 1 . 2]" 2
699 1 16 CYS HB3 1 19 CYS H . . 4.910 3.830 3.329 4.526 . 0 0 "[ . 1 . 2]" 2
700 1 16 CYS HB2 1 19 CYS H . . 4.910 3.940 2.877 4.605 . 0 0 "[ . 1 . 2]" 2
701 1 18 TYR HA 1 21 ARG QB . . 3.790 2.969 2.726 3.257 . 0 0 "[ . 1 . 2]" 2
702 1 17 PRO HG2 1 18 TYR HA . . 4.580 4.184 4.127 4.225 . 0 0 "[ . 1 . 2]" 2
703 1 18 TYR HA 1 18 TYR QE . . 4.750 4.517 4.403 4.656 . 0 0 "[ . 1 . 2]" 2
704 1 19 CYS HA 1 58 PRO HB3 . . 4.210 2.091 1.949 2.466 . 0 0 "[ . 1 . 2]" 2
705 1 19 CYS HA 1 23 LYS HG3 . . 4.470 4.263 3.758 4.483 0.013 15 0 "[ . 1 . 2]" 2
706 1 12 THR MG 1 19 CYS HA . . 5.050 4.037 3.251 5.093 0.043 6 0 "[ . 1 . 2]" 2
707 1 19 CYS HA 1 58 PRO HG3 . . 4.000 2.457 2.173 2.964 . 0 0 "[ . 1 . 2]" 2
708 1 19 CYS HA 1 58 PRO HB2 . . 4.370 3.147 2.939 3.304 . 0 0 "[ . 1 . 2]" 2
709 1 19 CYS HA 1 23 LYS H . . 5.220 4.092 3.668 4.328 . 0 0 "[ . 1 . 2]" 2
710 1 12 THR MG 1 19 CYS HB3 . . 4.360 2.503 1.937 3.313 . 0 0 "[ . 1 . 2]" 2
711 1 12 THR MG 1 19 CYS HB2 . . 4.360 3.732 3.379 4.312 . 0 0 "[ . 1 . 2]" 2
712 1 19 CYS HB2 1 20 ALA MB . . 5.170 3.919 3.827 4.028 . 0 0 "[ . 1 . 2]" 2
713 1 12 THR HB 1 19 CYS HB3 . . 4.480 2.223 2.011 2.586 . 0 0 "[ . 1 . 2]" 2
714 1 12 THR HB 1 19 CYS HB2 . . 4.480 3.289 2.884 3.696 . 0 0 "[ . 1 . 2]" 2
715 1 20 ALA H 1 20 ALA MB . . 2.720 2.096 2.027 2.237 . 0 0 "[ . 1 . 2]" 2
716 1 19 CYS H 1 20 ALA MB . . 4.640 4.170 4.120 4.254 . 0 0 "[ . 1 . 2]" 2
717 1 20 ALA MB 1 22 ALA H . . 4.880 4.630 4.521 4.805 . 0 0 "[ . 1 . 2]" 2
718 1 19 CYS HB3 1 20 ALA MB . . 5.170 4.896 4.605 5.077 . 0 0 "[ . 1 . 2]" 2
719 1 20 ALA HA 1 23 LYS QB . . 3.790 2.903 2.493 3.211 . 0 0 "[ . 1 . 2]" 2
720 1 20 ALA HA 1 23 LYS QD . . 5.020 4.701 4.365 5.040 0.020 5 0 "[ . 1 . 2]" 2
721 1 21 ARG HA 1 21 ARG HD2 . . 5.180 3.206 2.041 4.639 . 0 0 "[ . 1 . 2]" 2
722 1 21 ARG HA 1 21 ARG HD3 . . 5.180 2.976 1.999 4.508 . 0 0 "[ . 1 . 2]" 2
723 1 21 ARG HA 1 21 ARG HG2 . . 3.700 2.868 2.509 3.571 . 0 0 "[ . 1 . 2]" 2
724 1 21 ARG HA 1 21 ARG HG3 . . 3.700 3.185 2.041 3.716 0.016 19 0 "[ . 1 . 2]" 2
725 1 19 CYS HA 1 22 ALA MB . . 3.930 2.815 2.440 3.202 . 0 0 "[ . 1 . 2]" 2
726 1 22 ALA MB 1 58 PRO HB3 . . 4.740 3.581 3.170 3.868 . 0 0 "[ . 1 . 2]" 2
727 1 22 ALA MB 1 23 LYS HA . . 4.350 3.691 3.606 3.785 . 0 0 "[ . 1 . 2]" 2
728 1 10 ILE MD 1 22 ALA MB . . 3.260 2.723 2.402 3.290 0.030 18 0 "[ . 1 . 2]" 2
729 1 22 ALA MB 1 60 ILE MD . . 3.070 2.504 2.289 2.796 . 0 0 "[ . 1 . 2]" 2
730 1 22 ALA MB 1 58 PRO HG2 . . 4.040 3.667 3.401 3.803 . 0 0 "[ . 1 . 2]" 2
731 1 22 ALA MB 1 58 PRO HG3 . . 4.230 3.305 3.044 3.457 . 0 0 "[ . 1 . 2]" 2
732 1 22 ALA MB 1 23 LYS H . . 3.430 2.399 2.112 2.661 . 0 0 "[ . 1 . 2]" 2
733 1 22 ALA MB 1 74 TYR QE . . 4.530 4.221 3.828 4.465 . 0 0 "[ . 1 . 2]" 2
734 1 22 ALA MB 1 26 LEU H . . 5.330 4.621 4.556 4.688 . 0 0 "[ . 1 . 2]" 2
735 1 22 ALA MB 1 74 TYR QD . . 5.500 4.494 4.100 4.829 . 0 0 "[ . 1 . 2]" 2
736 1 32 GLU HA 1 32 GLU HG2 . . 3.860 3.046 2.386 3.749 . 0 0 "[ . 1 . 2]" 2
737 1 22 ALA HA 1 25 LEU H . . 4.100 3.584 3.410 3.813 . 0 0 "[ . 1 . 2]" 2
738 1 23 LYS HA 1 23 LYS QD . . 3.690 3.364 3.154 3.531 . 0 0 "[ . 1 . 2]" 2
739 1 23 LYS HA 1 23 LYS HG2 . . 3.580 2.460 2.370 2.560 . 0 0 "[ . 1 . 2]" 2
740 1 23 LYS HA 1 23 LYS HE3 . . 5.500 4.791 4.470 4.985 . 0 0 "[ . 1 . 2]" 2
741 1 23 LYS HA 1 23 LYS HE2 . . 5.500 4.893 4.695 5.517 0.017 15 0 "[ . 1 . 2]" 2
742 1 23 LYS HA 1 23 LYS HG3 . . 3.830 3.625 3.542 3.706 . 0 0 "[ . 1 . 2]" 2
743 1 23 LYS HA 1 27 ALA H . . 5.000 4.159 3.974 4.315 . 0 0 "[ . 1 . 2]" 2
744 1 23 LYS HA 1 26 LEU H . . 4.420 3.593 3.372 3.767 . 0 0 "[ . 1 . 2]" 2
745 1 23 LYS QB 1 33 PHE QD . . 5.500 5.045 4.699 5.271 . 0 0 "[ . 1 . 2]" 2
746 1 33 PHE QD 1 35 GLU HB3 . . 5.500 4.963 4.714 5.133 . 0 0 "[ . 1 . 2]" 2
747 1 23 LYS QB 1 33 PHE QE . . 3.950 3.174 2.811 3.391 . 0 0 "[ . 1 . 2]" 2
748 1 59 GLN HB2 1 60 ILE H . . 5.000 4.268 3.817 4.431 . 0 0 "[ . 1 . 2]" 2
749 1 10 ILE MD 1 23 LYS QB . . 4.890 3.637 3.400 4.115 . 0 0 "[ . 1 . 2]" 2
750 1 87 LYS H 1 87 LYS QD . . 4.830 4.299 3.627 4.789 . 0 0 "[ . 1 . 2]" 2
751 1 81 LYS H 1 81 LYS QD . . 4.840 3.971 2.633 4.340 . 0 0 "[ . 1 . 2]" 2
752 1 87 LYS QD 1 88 THR H . . 5.480 4.781 3.539 5.104 . 0 0 "[ . 1 . 2]" 2
753 1 80 GLY QA 1 81 LYS QD . . 5.500 4.978 3.578 5.501 0.001 2 0 "[ . 1 . 2]" 2
754 1 23 LYS QB 1 23 LYS HE2 . . 3.950 2.530 2.237 3.528 . 0 0 "[ . 1 . 2]" 2
755 1 10 ILE MG 1 33 PHE QB . . 3.760 3.016 2.747 3.249 . 0 0 "[ . 1 . 2]" 2
756 1 23 LYS QB 1 23 LYS HE3 . . 3.950 2.467 2.108 2.602 . 0 0 "[ . 1 . 2]" 2
757 1 81 LYS QE 1 81 LYS QG . . 2.930 2.142 1.966 2.861 . 0 0 "[ . 1 . 2]" 2
758 1 23 LYS H 1 23 LYS HE2 . . 5.500 4.643 4.329 5.499 . 0 0 "[ . 1 . 2]" 2
759 1 76 LEU HG 1 82 LEU QD . . 3.480 2.974 2.503 3.485 0.005 9 0 "[ . 1 . 2]" 2
760 1 26 LEU H 1 29 LYS QD . . 5.380 5.232 4.420 5.404 0.024 7 0 "[ . 1 . 2]" 2
761 1 82 LEU H 1 82 LEU QD . . 4.000 3.341 2.985 3.615 . 0 0 "[ . 1 . 2]" 2
762 1 24 ALA HA 1 27 ALA H . . 4.030 3.495 3.291 3.754 . 0 0 "[ . 1 . 2]" 2
763 1 72 ASP HA 1 75 ALA MB . . 2.960 2.435 2.272 2.619 . 0 0 "[ . 1 . 2]" 2
764 1 24 ALA MB 1 25 LEU MD1 . . 5.500 5.081 4.701 5.563 0.063 15 0 "[ . 1 . 2]" 2
765 1 24 ALA MB 1 25 LEU MD2 . . 5.500 4.998 4.201 5.509 0.009 3 0 "[ . 1 . 2]" 2
766 1 75 ALA MB 1 76 LEU H . . 3.330 2.793 2.688 2.880 . 0 0 "[ . 1 . 2]" 2
767 1 24 ALA H 1 24 ALA MB . . 2.680 2.141 2.058 2.230 . 0 0 "[ . 1 . 2]" 2
768 1 24 ALA MB 1 27 ALA H . . 5.090 4.604 4.461 4.861 . 0 0 "[ . 1 . 2]" 2
769 1 25 LEU HA 1 25 LEU MD1 . . 4.220 2.714 1.991 3.789 . 0 0 "[ . 1 . 2]" 2
770 1 25 LEU HA 1 25 LEU MD2 . . 4.220 2.950 1.938 3.949 . 0 0 "[ . 1 . 2]" 2
771 1 25 LEU HA 1 25 LEU HG . . 3.990 3.240 2.307 3.696 . 0 0 "[ . 1 . 2]" 2
772 1 25 LEU HA 1 28 ARG H . . 4.190 3.486 3.300 3.720 . 0 0 "[ . 1 . 2]" 2
773 1 26 LEU HA 1 26 LEU MD1 . . 4.140 3.791 3.761 3.813 . 0 0 "[ . 1 . 2]" 2
774 1 26 LEU HA 1 26 LEU MD2 . . 4.140 2.198 1.965 2.570 . 0 0 "[ . 1 . 2]" 2
775 1 26 LEU HA 1 26 LEU HG . . 3.840 2.612 2.433 2.778 . 0 0 "[ . 1 . 2]" 2
776 1 23 LYS HA 1 26 LEU HB3 . . 4.710 4.285 3.940 4.588 . 0 0 "[ . 1 . 2]" 2
777 1 23 LYS HA 1 26 LEU HB2 . . 4.710 2.885 2.470 3.161 . 0 0 "[ . 1 . 2]" 2
778 1 9 ILE HB 1 36 ILE MD . . 4.450 4.166 4.042 4.342 . 0 0 "[ . 1 . 2]" 2
779 1 85 LEU HA 1 85 LEU MD1 . . 4.180 2.539 1.999 3.830 . 0 0 "[ . 1 . 2]" 2
780 1 27 ALA HA 1 31 ALA H . . 4.070 3.469 3.042 4.051 . 0 0 "[ . 1 . 2]" 2
781 1 24 ALA HA 1 27 ALA MB . . 3.070 2.571 2.237 2.887 . 0 0 "[ . 1 . 2]" 2
782 1 27 ALA H 1 27 ALA MB . . 2.990 2.200 2.025 2.253 . 0 0 "[ . 1 . 2]" 2
783 1 28 ARG HA 1 28 ARG QD . . 4.400 3.819 2.653 4.189 . 0 0 "[ . 1 . 2]" 2
784 1 28 ARG HA 1 28 ARG QG . . 3.340 2.331 2.189 2.508 . 0 0 "[ . 1 . 2]" 2
785 1 36 ILE HA 1 36 ILE MD . . 4.080 3.849 3.808 3.883 . 0 0 "[ . 1 . 2]" 2
786 1 36 ILE HA 1 36 ILE MG . . 3.230 2.318 2.214 2.395 . 0 0 "[ . 1 . 2]" 2
787 1 25 LEU HA 1 28 ARG QD . . 4.640 3.680 2.966 4.639 . 0 0 "[ . 1 . 2]" 2
788 1 28 ARG H 1 28 ARG QD . . 4.710 4.344 3.832 4.641 . 0 0 "[ . 1 . 2]" 2
789 1 26 LEU HA 1 29 LYS QB . . 5.130 4.443 3.546 4.953 . 0 0 "[ . 1 . 2]" 2
790 1 29 LYS QB 1 29 LYS HE3 . . 4.440 2.943 2.060 4.042 . 0 0 "[ . 1 . 2]" 2
791 1 29 LYS QB 1 29 LYS HE2 . . 4.440 2.863 1.976 3.856 . 0 0 "[ . 1 . 2]" 2
792 1 26 LEU HA 1 31 ALA MB . . 3.850 3.418 2.923 3.861 0.011 13 0 "[ . 1 . 2]" 2
793 1 31 ALA MB 1 33 PHE QB . . 4.870 4.235 4.067 4.385 . 0 0 "[ . 1 . 2]" 2
794 1 29 LYS QB 1 31 ALA MB . . 3.940 3.598 2.855 3.947 0.007 6 0 "[ . 1 . 2]" 2
795 1 31 ALA MB 1 86 LEU MD1 . . 3.280 3.107 1.772 3.287 0.007 14 0 "[ . 1 . 2]" 2
796 1 31 ALA MB 1 86 LEU MD2 . . 3.280 2.218 1.920 2.949 . 0 0 "[ . 1 . 2]" 2
797 1 31 ALA MB 1 33 PHE QD . . 4.080 3.380 3.055 3.877 . 0 0 "[ . 1 . 2]" 2
798 1 29 LYS H 1 31 ALA MB . . 4.580 4.414 3.999 4.585 0.005 14 0 "[ . 1 . 2]" 2
799 1 31 ALA MB 1 32 GLU H . . 3.560 3.294 3.270 3.312 . 0 0 "[ . 1 . 2]" 2
800 1 27 ALA H 1 31 ALA MB . . 5.400 4.919 4.508 5.396 . 0 0 "[ . 1 . 2]" 2
801 1 31 ALA HA 1 86 LEU MD1 . . 4.890 3.999 2.918 4.657 . 0 0 "[ . 1 . 2]" 2
802 1 31 ALA HA 1 86 LEU MD2 . . 4.890 4.012 3.345 4.914 0.024 20 0 "[ . 1 . 2]" 2
803 1 31 ALA HA 1 32 GLU QB . . 4.490 4.263 4.169 4.370 . 0 0 "[ . 1 . 2]" 2
804 1 31 ALA HA 1 32 GLU H . . 3.060 2.144 2.143 2.145 . 0 0 "[ . 1 . 2]" 2
805 1 32 GLU HA 1 32 GLU HG3 . . 3.860 3.356 2.529 3.849 . 0 0 "[ . 1 . 2]" 2
806 1 32 GLU HG2 1 33 PHE H . . 4.800 4.428 3.564 4.796 . 0 0 "[ . 1 . 2]" 2
807 1 32 GLU H 1 32 GLU HG3 . . 4.160 3.458 2.457 4.152 . 0 0 "[ . 1 . 2]" 2
808 1 32 GLU H 1 32 GLU HG2 . . 4.160 3.094 2.114 4.157 . 0 0 "[ . 1 . 2]" 2
809 1 32 GLU H 1 32 GLU QB . . 3.710 2.317 2.168 2.530 . 0 0 "[ . 1 . 2]" 2
810 1 8 VAL MG1 1 33 PHE HA . . 3.660 3.311 3.109 3.634 . 0 0 "[ . 1 . 2]" 2
811 1 10 ILE MG 1 35 GLU HA . . 3.320 1.924 1.883 1.951 . 0 0 "[ . 1 . 2]" 2
812 1 10 ILE MD 1 35 GLU HA . . 5.500 4.843 3.735 5.134 . 0 0 "[ . 1 . 2]" 2
813 1 35 GLU HA 1 36 ILE MD . . 5.500 5.081 5.009 5.156 . 0 0 "[ . 1 . 2]" 2
814 1 12 THR MG 1 35 GLU HA . . 4.410 4.225 3.776 4.426 0.016 3 0 "[ . 1 . 2]" 2
815 1 10 ILE HB 1 35 GLU HA . . 4.920 4.591 4.492 4.764 . 0 0 "[ . 1 . 2]" 2
816 1 8 VAL HB 1 33 PHE HA . . 3.430 2.492 2.267 2.644 . 0 0 "[ . 1 . 2]" 2
817 1 35 GLU HA 1 35 GLU HG3 . . 4.030 2.957 2.697 3.536 . 0 0 "[ . 1 . 2]" 2
818 1 35 GLU HA 1 35 GLU HG2 . . 4.030 2.820 2.499 3.634 . 0 0 "[ . 1 . 2]" 2
819 1 33 PHE HA 1 33 PHE QD . . 4.350 3.721 3.714 3.726 . 0 0 "[ . 1 . 2]" 2
820 1 10 ILE H 1 35 GLU HA . . 3.770 3.513 3.366 3.638 . 0 0 "[ . 1 . 2]" 2
821 1 9 ILE HG12 1 34 ASN QB . . 4.390 2.667 2.117 2.967 . 0 0 "[ . 1 . 2]" 2
822 1 9 ILE MD 1 34 ASN QB . . 4.000 3.732 3.376 3.990 . 0 0 "[ . 1 . 2]" 2
823 1 9 ILE MG 1 34 ASN QB . . 3.840 2.466 2.021 2.860 . 0 0 "[ . 1 . 2]" 2
824 1 34 ASN QB 1 36 ILE MD . . 4.450 3.041 2.695 3.378 . 0 0 "[ . 1 . 2]" 2
825 1 9 ILE HG13 1 34 ASN QB . . 4.390 4.093 3.597 4.388 . 0 0 "[ . 1 . 2]" 2
826 1 33 PHE HA 1 34 ASN QB . . 4.280 4.072 4.031 4.179 . 0 0 "[ . 1 . 2]" 2
827 1 10 ILE H 1 34 ASN QB . . 3.630 3.556 3.427 3.636 0.006 20 0 "[ . 1 . 2]" 2
828 1 12 THR MG 1 35 GLU HG3 . . 4.450 3.543 2.682 4.477 0.027 14 0 "[ . 1 . 2]" 2
829 1 12 THR MG 1 35 GLU HG2 . . 4.450 3.885 2.884 4.450 . 0 0 "[ . 1 . 2]" 2
830 1 10 ILE MG 1 35 GLU HG3 . . 4.330 3.267 2.957 4.130 . 0 0 "[ . 1 . 2]" 2
831 1 10 ILE MG 1 35 GLU HG2 . . 4.330 3.630 3.092 4.220 . 0 0 "[ . 1 . 2]" 2
832 1 35 GLU HG2 1 36 ILE H . . 4.630 3.073 2.738 4.598 . 0 0 "[ . 1 . 2]" 2
833 1 35 GLU HB2 1 36 ILE H . . 5.030 4.318 4.195 4.390 . 0 0 "[ . 1 . 2]" 2
834 1 36 ILE H 1 36 ILE HB . . 3.830 2.758 2.663 2.834 . 0 0 "[ . 1 . 2]" 2
835 1 12 THR H 1 36 ILE HB . . 4.730 4.553 4.288 4.700 . 0 0 "[ . 1 . 2]" 2
836 1 11 TYR HA 1 36 ILE HB . . 4.020 3.169 2.899 3.371 . 0 0 "[ . 1 . 2]" 2
837 1 35 GLU HA 1 36 ILE HB . . 4.880 4.689 4.619 4.781 . 0 0 "[ . 1 . 2]" 2
838 1 36 ILE H 1 36 ILE HG12 . . 4.830 3.966 3.825 4.067 . 0 0 "[ . 1 . 2]" 2
839 1 36 ILE MG 1 38 ALA H . . 4.790 4.669 4.530 4.770 . 0 0 "[ . 1 . 2]" 2
840 1 36 ILE H 1 36 ILE MG . . 4.290 3.899 3.860 3.934 . 0 0 "[ . 1 . 2]" 2
841 1 36 ILE MG 1 38 ALA HA . . 4.670 4.160 4.086 4.252 . 0 0 "[ . 1 . 2]" 2
842 1 36 ILE MD 1 36 ILE MG . . 2.700 1.989 1.914 2.069 . 0 0 "[ . 1 . 2]" 2
843 1 36 ILE HB 1 36 ILE MD . . 3.440 2.365 2.302 2.443 . 0 0 "[ . 1 . 2]" 2
844 1 36 ILE H 1 36 ILE MD . . 4.380 4.093 3.911 4.233 . 0 0 "[ . 1 . 2]" 2
845 1 37 ASP H 1 37 ASP HB2 . . 3.660 2.607 2.297 3.608 . 0 0 "[ . 1 . 2]" 2
846 1 37 ASP HB3 1 40 ALA MB . . 4.680 3.052 2.036 4.109 . 0 0 "[ . 1 . 2]" 2
847 1 37 ASP HB2 1 40 ALA MB . . 4.680 2.904 2.178 4.399 . 0 0 "[ . 1 . 2]" 2
848 1 12 THR H 1 37 ASP HA . . 4.280 3.006 2.747 3.382 . 0 0 "[ . 1 . 2]" 2
849 1 38 ALA MB 1 45 ARG HA . . 3.510 2.560 1.954 3.025 . 0 0 "[ . 1 . 2]" 2
850 1 37 ASP HA 1 38 ALA MB . . 4.370 3.835 3.808 3.877 . 0 0 "[ . 1 . 2]" 2
851 1 11 TYR QB 1 38 ALA MB . . 3.560 3.028 2.495 3.395 . 0 0 "[ . 1 . 2]" 2
852 1 38 ALA MB 1 48 MET HB3 . . 4.210 3.517 2.696 4.161 . 0 0 "[ . 1 . 2]" 2
853 1 38 ALA MB 1 48 MET HB2 . . 4.210 3.049 2.630 3.417 . 0 0 "[ . 1 . 2]" 2
854 1 11 TYR HA 1 38 ALA MB . . 4.670 4.239 3.793 4.595 . 0 0 "[ . 1 . 2]" 2
855 1 12 THR H 1 38 ALA MB . . 4.770 4.169 3.509 4.728 . 0 0 "[ . 1 . 2]" 2
856 1 38 ALA H 1 38 ALA MB . . 3.360 2.399 2.287 2.463 . 0 0 "[ . 1 . 2]" 2
857 1 38 ALA MB 1 45 ARG H . . 5.000 4.144 3.557 4.922 . 0 0 "[ . 1 . 2]" 2
858 1 13 ARG HB3 1 39 SER HB2 . . 4.650 3.231 2.407 4.657 0.007 1 0 "[ . 1 . 2]" 2
859 1 13 ARG HB2 1 39 SER HB2 . . 4.650 2.669 1.989 3.878 . 0 0 "[ . 1 . 2]" 2
860 1 13 ARG HB3 1 39 SER HB3 . . 4.650 3.665 2.564 4.709 0.059 2 0 "[ . 1 . 2]" 2
861 1 13 ARG HB2 1 39 SER HB3 . . 4.650 2.843 1.990 4.391 . 0 0 "[ . 1 . 2]" 2
862 1 37 ASP HA 1 40 ALA MB . . 5.150 4.771 4.208 5.154 0.004 8 0 "[ . 1 . 2]" 2
863 1 40 ALA MB 1 41 THR HA . . 5.340 4.140 4.059 4.235 . 0 0 "[ . 1 . 2]" 2
864 1 39 SER H 1 40 ALA MB . . 4.310 4.240 4.109 4.314 0.004 3 0 "[ . 1 . 2]" 2
865 1 40 ALA MB 1 41 THR MG . . 3.670 3.270 3.115 3.417 . 0 0 "[ . 1 . 2]" 2
866 1 41 THR HA 1 41 THR MG . . 3.260 2.145 2.078 2.199 . 0 0 "[ . 1 . 2]" 2
867 1 88 THR HA 1 88 THR MG . . 3.340 2.502 2.335 3.188 . 0 0 "[ . 1 . 2]" 2
868 1 41 THR MG 1 42 PRO HD3 . . 3.550 3.031 2.899 3.132 . 0 0 "[ . 1 . 2]" 2
869 1 41 THR MG 1 42 PRO HD2 . . 3.550 2.198 2.009 2.340 . 0 0 "[ . 1 . 2]" 2
870 1 87 LYS HB2 1 88 THR MG . . 4.280 3.446 3.095 4.144 . 0 0 "[ . 1 . 2]" 2
871 1 87 LYS HB3 1 88 THR MG . . 4.280 3.034 2.548 4.271 . 0 0 "[ . 1 . 2]" 2
872 1 43 GLU HA 1 43 GLU HG3 . . 3.640 2.695 2.237 3.639 . 0 0 "[ . 1 . 2]" 2
873 1 43 GLU HA 1 43 GLU HG2 . . 3.640 2.898 2.214 3.617 . 0 0 "[ . 1 . 2]" 2
874 1 43 GLU HA 1 47 GLU H . . 4.710 3.965 3.576 4.389 . 0 0 "[ . 1 . 2]" 2
875 1 43 GLU HB3 1 44 LEU H . . 4.260 2.863 2.341 3.750 . 0 0 "[ . 1 . 2]" 2
876 1 43 GLU HB2 1 44 LEU H . . 4.260 3.110 2.380 3.866 . 0 0 "[ . 1 . 2]" 2
877 1 79 GLU HG3 1 81 LYS QG . . 4.550 3.805 3.241 4.187 . 0 0 "[ . 1 . 2]" 2
878 1 75 ALA MB 1 79 GLU HG3 . . 5.010 4.495 4.125 4.821 . 0 0 "[ . 1 . 2]" 2
879 1 79 GLU HG3 1 81 LYS HB2 . . 5.500 5.047 4.873 5.592 0.092 16 0 "[ . 1 . 2]" 2
880 1 44 LEU HA 1 44 LEU HG . . 3.780 2.854 2.748 3.018 . 0 0 "[ . 1 . 2]" 2
881 1 44 LEU HA 1 47 GLU HG2 . . 3.050 2.581 2.242 3.003 . 0 0 "[ . 1 . 2]" 2
882 1 38 ALA HA 1 44 LEU HB3 . . 4.430 2.381 1.997 2.826 . 0 0 "[ . 1 . 2]" 2
883 1 38 ALA HA 1 44 LEU HB2 . . 4.430 3.452 2.989 3.848 . 0 0 "[ . 1 . 2]" 2
884 1 45 ARG HA 1 45 ARG HD3 . . 5.000 4.537 4.130 4.907 . 0 0 "[ . 1 . 2]" 2
885 1 45 ARG H 1 45 ARG HG2 . . 5.430 4.428 4.306 4.543 . 0 0 "[ . 1 . 2]" 2
886 1 45 ARG H 1 45 ARG HG3 . . 5.430 4.542 4.317 4.688 . 0 0 "[ . 1 . 2]" 2
887 1 44 LEU HA 1 47 GLU QB . . 4.920 4.238 3.977 4.639 . 0 0 "[ . 1 . 2]" 2
888 1 46 ALA MB 1 47 GLU QB . . 4.240 3.892 3.665 4.036 . 0 0 "[ . 1 . 2]" 2
889 1 43 GLU HB2 1 46 ALA MB . . 5.360 4.759 4.341 5.246 . 0 0 "[ . 1 . 2]" 2
890 1 45 ARG HA 1 45 ARG HD2 . . 5.000 4.482 3.906 4.841 . 0 0 "[ . 1 . 2]" 2
891 1 45 ARG HA 1 45 ARG HG2 . . 3.760 2.907 2.343 3.475 . 0 0 "[ . 1 . 2]" 2
892 1 45 ARG HA 1 45 ARG HG3 . . 3.760 2.771 2.381 3.551 . 0 0 "[ . 1 . 2]" 2
893 1 43 GLU HA 1 46 ALA MB . . 3.010 2.329 1.975 2.691 . 0 0 "[ . 1 . 2]" 2
894 1 43 GLU HB3 1 46 ALA MB . . 5.360 4.577 3.986 5.042 . 0 0 "[ . 1 . 2]" 2
895 1 46 ALA MB 1 50 GLU HB2 . . 5.500 4.098 3.846 4.589 . 0 0 "[ . 1 . 2]" 2
896 1 45 ARG H 1 46 ALA MB . . 4.310 3.979 3.908 4.090 . 0 0 "[ . 1 . 2]" 2
897 1 46 ALA H 1 46 ALA MB . . 2.910 2.121 2.049 2.214 . 0 0 "[ . 1 . 2]" 2
898 1 46 ALA MB 1 50 GLU H . . 4.780 4.726 4.602 4.853 0.073 2 0 "[ . 1 . 2]" 2
899 1 46 ALA HA 1 49 GLN QG . . 3.930 2.311 1.972 2.950 . 0 0 "[ . 1 . 2]" 2
900 1 46 ALA HA 1 50 GLU H . . 4.690 4.193 3.949 4.702 0.012 2 0 "[ . 1 . 2]" 2
901 1 51 ARG HA 1 51 ARG HG2 . . 3.330 2.696 2.476 2.884 . 0 0 "[ . 1 . 2]" 2
902 1 47 GLU HA 1 47 GLU HG3 . . 3.990 3.842 3.718 3.995 0.005 6 0 "[ . 1 . 2]" 2
903 1 47 GLU HA 1 47 GLU HG2 . . 3.850 3.672 3.583 3.774 . 0 0 "[ . 1 . 2]" 2
904 1 46 ALA MB 1 47 GLU HG2 . . 4.480 4.159 3.879 4.326 . 0 0 "[ . 1 . 2]" 2
905 1 81 LYS H 1 81 LYS HB3 . . 3.890 3.662 3.605 3.725 . 0 0 "[ . 1 . 2]" 2
906 1 47 GLU QB 1 48 MET HA . . 4.490 4.352 4.250 4.462 . 0 0 "[ . 1 . 2]" 2
907 1 48 MET HA 1 48 MET QG . . 3.480 2.562 2.088 2.970 . 0 0 "[ . 1 . 2]" 2
908 1 11 TYR QD 1 48 MET HA . . 5.500 5.048 4.468 5.541 0.041 7 0 "[ . 1 . 2]" 2
909 1 48 MET HA 1 57 PHE QE . . 5.500 5.014 4.716 5.314 . 0 0 "[ . 1 . 2]" 2
910 1 49 GLN H 1 49 GLN HB3 . . 3.670 2.550 2.287 3.611 . 0 0 "[ . 1 . 2]" 2
911 1 49 GLN QG 1 55 ASN HA . . 5.130 5.114 4.804 5.228 0.098 15 0 "[ . 1 . 2]" 2
912 1 46 ALA MB 1 49 GLN QG . . 4.240 3.756 3.365 4.278 0.038 10 0 "[ . 1 . 2]" 2
913 1 49 GLN HA 1 49 GLN QG . . 3.380 3.198 2.552 3.393 0.013 17 0 "[ . 1 . 2]" 2
914 1 50 GLU HA 1 50 GLU HG3 . . 3.780 2.818 2.535 3.384 . 0 0 "[ . 1 . 2]" 2
915 1 50 GLU HA 1 50 GLU HG2 . . 3.780 3.451 3.010 3.773 . 0 0 "[ . 1 . 2]" 2
916 1 50 GLU H 1 50 GLU HG3 . . 4.720 4.466 4.335 4.539 . 0 0 "[ . 1 . 2]" 2
917 1 50 GLU H 1 50 GLU HG2 . . 4.720 4.459 4.329 4.625 . 0 0 "[ . 1 . 2]" 2
918 1 51 ARG HA 1 51 ARG HD2 . . 5.070 4.785 4.578 4.930 . 0 0 "[ . 1 . 2]" 2
919 1 76 LEU HA 1 79 GLU HB2 . . 3.850 3.496 3.011 3.853 0.003 12 0 "[ . 1 . 2]" 2
920 1 82 LEU HA 1 85 LEU HB3 . . 4.230 3.504 3.368 3.690 . 0 0 "[ . 1 . 2]" 2
921 1 82 LEU HA 1 82 LEU QD . . 3.080 2.270 1.915 2.893 . 0 0 "[ . 1 . 2]" 2
922 1 51 ARG HA 1 51 ARG HG3 . . 3.440 2.950 2.826 3.091 . 0 0 "[ . 1 . 2]" 2
923 1 51 ARG QB 1 51 ARG HD2 . . 3.700 2.751 2.149 3.134 . 0 0 "[ . 1 . 2]" 2
924 1 51 ARG QB 1 51 ARG HD3 . . 3.700 2.215 2.127 2.607 . 0 0 "[ . 1 . 2]" 2
925 1 51 ARG HA 1 51 ARG HD3 . . 5.070 4.481 4.385 4.651 . 0 0 "[ . 1 . 2]" 2
926 1 52 SER HA 1 66 HIS HE1 . . 4.470 4.546 4.475 4.640 0.170 16 0 "[ . 1 . 2]" 2
927 1 52 SER HA 1 57 PHE QD . . 5.500 4.891 4.053 5.506 0.006 16 0 "[ . 1 . 2]" 2
928 1 81 LYS H 1 83 ASP QB . . 5.350 5.285 5.087 5.365 0.015 20 0 "[ . 1 . 2]" 2
929 1 83 ASP QB 1 86 LEU MD1 . . 5.500 4.401 3.937 4.673 . 0 0 "[ . 1 . 2]" 2
930 1 83 ASP QB 1 86 LEU MD2 . . 5.500 4.000 3.614 5.264 . 0 0 "[ . 1 . 2]" 2
931 1 56 THR HB 1 57 PHE H . . 4.120 3.587 3.219 3.971 . 0 0 "[ . 1 . 2]" 2
932 1 56 THR HB 1 57 PHE HB3 . . 5.500 5.419 5.336 5.579 0.079 18 0 "[ . 1 . 2]" 2
933 1 56 THR HA 1 56 THR MG . . 2.880 2.084 1.959 2.269 . 0 0 "[ . 1 . 2]" 2
934 1 57 PHE HB2 1 58 PRO HA . . 5.350 5.297 5.256 5.334 . 0 0 "[ . 1 . 2]" 2
935 1 62 ILE HB 1 62 ILE MD . . 2.790 2.379 2.356 2.397 . 0 0 "[ . 1 . 2]" 2
936 1 8 VAL MG2 1 62 ILE MG . . 3.500 2.536 2.339 2.766 . 0 0 "[ . 1 . 2]" 2
937 1 62 ILE MG 1 86 LEU HA . . 3.510 2.230 1.935 2.618 . 0 0 "[ . 1 . 2]" 2
938 1 62 ILE MG 1 63 GLY HA2 . . 4.630 4.031 3.914 4.146 . 0 0 "[ . 1 . 2]" 2
939 1 62 ILE HA 1 62 ILE MG . . 3.620 2.418 2.407 2.433 . 0 0 "[ . 1 . 2]" 2
940 1 62 ILE MG 1 85 LEU H . . 5.470 4.962 4.797 5.252 . 0 0 "[ . 1 . 2]" 2
941 1 62 ILE H 1 62 ILE MG . . 4.200 3.819 3.792 3.843 . 0 0 "[ . 1 . 2]" 2
942 1 62 ILE MD 1 86 LEU HG . . 4.930 4.792 4.374 4.944 0.014 13 0 "[ . 1 . 2]" 2
943 1 62 ILE MD 1 82 LEU QD . . 2.880 2.514 2.062 2.889 0.009 10 0 "[ . 1 . 2]" 2
944 1 62 ILE MD 1 85 LEU HB3 . . 4.780 2.392 2.142 2.583 . 0 0 "[ . 1 . 2]" 2
945 1 62 ILE MD 1 86 LEU HA . . 4.560 3.394 2.995 3.835 . 0 0 "[ . 1 . 2]" 2
946 1 62 ILE HA 1 62 ILE MD . . 4.440 3.792 3.781 3.804 . 0 0 "[ . 1 . 2]" 2
947 1 62 ILE MD 1 86 LEU H . . 4.800 3.844 3.647 4.292 . 0 0 "[ . 1 . 2]" 2
948 1 62 ILE MD 1 63 GLY H . . 5.340 5.213 5.127 5.295 . 0 0 "[ . 1 . 2]" 2
949 1 61 PHE HA 1 62 ILE HB . . 4.620 4.606 4.569 4.632 0.012 2 0 "[ . 1 . 2]" 2
950 1 60 ILE MG 1 61 PHE HA . . 4.210 3.855 3.734 4.011 . 0 0 "[ . 1 . 2]" 2
951 1 61 PHE HA 1 67 VAL H . . 3.960 2.934 2.715 3.052 . 0 0 "[ . 1 . 2]" 2
952 1 61 PHE HA 1 62 ILE H . . 3.300 2.142 2.139 2.145 . 0 0 "[ . 1 . 2]" 2
953 1 6 VAL HB 1 63 GLY HA2 . . 4.850 2.193 2.009 2.438 . 0 0 "[ . 1 . 2]" 2
954 1 6 VAL QG 1 63 GLY HA2 . . 3.920 2.723 2.290 3.082 . 0 0 "[ . 1 . 2]" 2
955 1 6 VAL QG 1 63 GLY HA3 . . 3.910 2.723 2.214 2.964 . 0 0 "[ . 1 . 2]" 2
956 1 65 VAL MG2 1 91 LEU H . . 4.240 2.727 2.023 3.217 . 0 0 "[ . 1 . 2]" 2
957 1 65 VAL MG1 1 90 LYS HA . . 4.590 4.317 3.617 4.587 . 0 0 "[ . 1 . 2]" 2
958 1 62 ILE HB 1 65 VAL HB . . 4.340 3.968 3.630 4.278 . 0 0 "[ . 1 . 2]" 2
959 1 62 ILE H 1 65 VAL HB . . 4.440 4.304 4.135 4.431 . 0 0 "[ . 1 . 2]" 2
960 1 65 VAL HA 1 65 VAL MG2 . . 3.300 2.421 2.393 2.456 . 0 0 "[ . 1 . 2]" 2
961 1 65 VAL HA 1 65 VAL MG1 . . 3.300 2.230 2.195 2.279 . 0 0 "[ . 1 . 2]" 2
962 1 65 VAL HA 1 66 HIS HB3 . . 4.800 4.577 4.527 4.679 . 0 0 "[ . 1 . 2]" 2
963 1 65 VAL HA 1 66 HIS HB2 . . 4.800 4.492 4.386 4.549 . 0 0 "[ . 1 . 2]" 2
964 1 61 PHE HA 1 66 HIS HA . . 3.790 2.395 2.177 2.595 . 0 0 "[ . 1 . 2]" 2
965 1 66 HIS HA 1 67 VAL H . . 3.440 2.186 2.169 2.195 . 0 0 "[ . 1 . 2]" 2
966 1 62 ILE H 1 66 HIS HA . . 4.210 3.189 3.067 3.338 . 0 0 "[ . 1 . 2]" 2
967 1 60 ILE MG 1 67 VAL HB . . 3.430 2.064 1.947 2.434 . 0 0 "[ . 1 . 2]" 2
968 1 67 VAL H 1 67 VAL HB . . 3.820 2.532 2.498 2.570 . 0 0 "[ . 1 . 2]" 2
969 1 67 VAL HA 1 67 VAL MG1 . . 3.360 2.378 2.328 2.427 . 0 0 "[ . 1 . 2]" 2
970 1 67 VAL HA 1 67 VAL MG2 . . 3.360 2.237 2.216 2.273 . 0 0 "[ . 1 . 2]" 2
971 1 22 ALA MB 1 70 CYS HB3 . . 4.360 3.819 2.585 4.368 0.008 14 0 "[ . 1 . 2]" 2
972 1 22 ALA MB 1 70 CYS HB2 . . 4.360 3.096 2.487 4.138 . 0 0 "[ . 1 . 2]" 2
973 1 18 TYR HA 1 70 CYS HB3 . . 5.050 4.019 3.342 4.572 . 0 0 "[ . 1 . 2]" 2
974 1 18 TYR HA 1 70 CYS HB2 . . 5.050 3.780 3.259 4.330 . 0 0 "[ . 1 . 2]" 2
975 1 18 TYR QD 1 70 CYS HB3 . . 4.960 3.822 2.429 4.701 . 0 0 "[ . 1 . 2]" 2
976 1 18 TYR QD 1 70 CYS HB2 . . 4.960 4.281 3.447 4.931 . 0 0 "[ . 1 . 2]" 2
977 1 58 PRO HG2 1 70 CYS HA . . 5.130 4.348 3.995 4.583 . 0 0 "[ . 1 . 2]" 2
978 1 58 PRO HG3 1 70 CYS HA . . 5.500 4.576 4.173 4.938 . 0 0 "[ . 1 . 2]" 2
979 1 60 ILE MD 1 70 CYS HA . . 4.900 4.421 3.905 4.916 0.016 15 0 "[ . 1 . 2]" 2
980 1 22 ALA MB 1 70 CYS HA . . 3.640 2.445 2.140 2.808 . 0 0 "[ . 1 . 2]" 2
981 1 70 CYS HA 1 73 LEU H . . 4.610 3.661 3.551 3.737 . 0 0 "[ . 1 . 2]" 2
982 1 82 LEU H 1 82 LEU HG . . 4.960 3.772 2.147 4.558 . 0 0 "[ . 1 . 2]" 2
983 1 76 LEU HA 1 76 LEU MD1 . . 3.680 2.639 2.563 2.720 . 0 0 "[ . 1 . 2]" 2
984 1 76 LEU HA 1 76 LEU MD2 . . 3.680 1.942 1.920 1.955 . 0 0 "[ . 1 . 2]" 2
985 1 74 TYR HA 1 75 ALA MB . . 5.060 5.007 4.989 5.015 . 0 0 "[ . 1 . 2]" 2
986 1 74 TYR HA 1 77 GLU QB . . 3.650 3.409 2.672 3.569 . 0 0 "[ . 1 . 2]" 2
987 1 73 LEU MD1 1 74 TYR HA . . 5.500 5.218 2.836 5.512 0.012 6 0 "[ . 1 . 2]" 2
988 1 73 LEU MD2 1 74 TYR HA . . 5.500 4.610 3.299 5.528 0.028 19 0 "[ . 1 . 2]" 2
989 1 74 TYR HA 1 82 LEU QD . . 5.500 4.810 4.207 5.234 . 0 0 "[ . 1 . 2]" 2
990 1 74 TYR HA 1 74 TYR QD . . 3.720 2.583 2.369 3.025 . 0 0 "[ . 1 . 2]" 2
991 1 71 ASP HA 1 74 TYR HB3 . . 4.750 4.280 4.129 4.758 0.008 19 0 "[ . 1 . 2]" 2
992 1 71 ASP HA 1 74 TYR HB2 . . 4.200 2.874 2.694 3.248 . 0 0 "[ . 1 . 2]" 2
993 1 74 TYR H 1 74 TYR HB3 . . 3.730 3.500 3.472 3.530 . 0 0 "[ . 1 . 2]" 2
994 1 23 LYS HA 1 24 ALA MB . . 5.310 5.033 5.025 5.041 . 0 0 "[ . 1 . 2]" 2
995 1 73 LEU H 1 75 ALA MB . . 4.850 4.726 4.517 4.870 0.020 11 0 "[ . 1 . 2]" 2
996 1 79 GLU HA 1 79 GLU HG2 . . 3.180 2.571 2.438 2.640 . 0 0 "[ . 1 . 2]" 2
997 1 75 ALA HA 1 78 ASP HB3 . . 3.650 3.600 3.471 3.677 0.027 19 0 "[ . 1 . 2]" 2
998 1 75 ALA HA 1 78 ASP HB2 . . 3.420 3.153 2.989 3.448 0.028 19 0 "[ . 1 . 2]" 2
999 1 75 ALA HA 1 78 ASP H . . 3.910 3.790 3.711 3.865 . 0 0 "[ . 1 . 2]" 2
1000 1 76 LEU HB3 1 81 LYS HB2 . . 4.500 3.665 2.971 4.216 . 0 0 "[ . 1 . 2]" 2
1001 1 76 LEU HB3 1 82 LEU QD . . 3.800 2.326 1.926 3.057 . 0 0 "[ . 1 . 2]" 2
1002 1 76 LEU HB2 1 82 LEU QD . . 3.380 2.315 1.981 2.843 . 0 0 "[ . 1 . 2]" 2
1003 1 77 GLU H 1 77 GLU HG3 . . 4.730 2.929 2.633 4.022 . 0 0 "[ . 1 . 2]" 2
1004 1 77 GLU H 1 77 GLU HG2 . . 4.730 3.538 2.741 4.416 . 0 0 "[ . 1 . 2]" 2
1005 1 5 MET HB3 1 6 VAL H . . 4.190 3.314 2.254 3.902 . 0 0 "[ . 1 . 2]" 2
1006 1 81 LYS HA 1 81 LYS QG . . 3.480 2.907 2.595 3.251 . 0 0 "[ . 1 . 2]" 2
1007 1 75 ALA MB 1 79 GLU HG2 . . 5.450 5.328 4.895 5.456 0.006 16 0 "[ . 1 . 2]" 2
1008 1 79 GLU HG2 1 81 LYS QG . . 5.060 4.561 4.329 4.769 . 0 0 "[ . 1 . 2]" 2
1009 1 79 GLU HA 1 79 GLU HG3 . . 3.850 3.686 3.596 3.777 . 0 0 "[ . 1 . 2]" 2
1010 1 79 GLU HB3 1 81 LYS QG . . 3.960 2.676 2.139 3.363 . 0 0 "[ . 1 . 2]" 2
1011 1 80 GLY QA 1 82 LEU H . . 4.540 3.495 3.377 3.745 . 0 0 "[ . 1 . 2]" 2
1012 1 80 GLY QA 1 81 LYS HA . . 4.280 4.056 4.021 4.095 . 0 0 "[ . 1 . 2]" 2
1013 1 81 LYS HA 1 81 LYS QD . . 3.830 2.569 1.990 3.083 . 0 0 "[ . 1 . 2]" 2
1014 1 81 LYS HB3 1 81 LYS QD . . 3.540 2.314 2.110 2.989 . 0 0 "[ . 1 . 2]" 2
1015 1 79 GLU HB2 1 81 LYS QG . . 3.470 2.139 1.926 2.640 . 0 0 "[ . 1 . 2]" 2
1016 1 81 LYS HB3 1 81 LYS QE . . 4.550 3.257 1.953 4.068 . 0 0 "[ . 1 . 2]" 2
1017 1 76 LEU HA 1 81 LYS HB2 . . 4.930 3.907 3.464 4.211 . 0 0 "[ . 1 . 2]" 2
1018 1 81 LYS HA 1 81 LYS QE . . 3.740 2.694 1.966 3.973 0.233 5 0 "[ . 1 . 2]" 2
1019 1 84 SER HA 1 87 LYS QE . . 5.500 4.206 2.567 5.499 . 0 0 "[ . 1 . 2]" 2
1020 1 88 THR HB 1 90 LYS QE . . 5.500 3.927 2.361 5.343 . 0 0 "[ . 1 . 2]" 2
1021 1 79 GLU HB3 1 81 LYS QE . . 3.830 3.472 2.578 3.987 0.157 11 0 "[ . 1 . 2]" 2
1022 1 79 GLU HB2 1 81 LYS QE . . 4.460 3.752 3.102 4.438 . 0 0 "[ . 1 . 2]" 2
1023 1 62 ILE MD 1 82 LEU HA . . 4.480 4.024 3.657 4.368 . 0 0 "[ . 1 . 2]" 2
1024 1 83 ASP HA 1 86 LEU MD1 . . 3.820 3.116 2.786 3.285 . 0 0 "[ . 1 . 2]" 2
1025 1 83 ASP HA 1 86 LEU MD2 . . 3.820 2.268 1.997 3.883 0.063 20 0 "[ . 1 . 2]" 2
1026 1 83 ASP HA 1 87 LYS H . . 4.840 4.468 4.294 4.871 0.031 20 0 "[ . 1 . 2]" 2
1027 1 83 ASP HA 1 86 LEU H . . 3.870 3.822 3.586 3.883 0.013 14 0 "[ . 1 . 2]" 2
1028 1 84 SER HA 1 87 LYS HB2 . . 4.090 2.373 2.079 3.109 . 0 0 "[ . 1 . 2]" 2
1029 1 84 SER HA 1 87 LYS HB3 . . 4.090 3.356 2.503 4.034 . 0 0 "[ . 1 . 2]" 2
1030 1 84 SER HA 1 86 LEU HG . . 5.500 4.551 4.300 5.254 . 0 0 "[ . 1 . 2]" 2
1031 1 84 SER HA 1 87 LYS QD . . 5.500 3.934 2.408 5.490 . 0 0 "[ . 1 . 2]" 2
1032 1 84 SER HA 1 88 THR MG . . 5.150 3.146 2.920 3.885 . 0 0 "[ . 1 . 2]" 2
1033 1 81 LYS HB3 1 84 SER QB . . 4.630 3.848 3.560 4.281 . 0 0 "[ . 1 . 2]" 2
1034 1 84 SER QB 1 85 LEU HB2 . . 4.740 4.573 4.338 4.743 0.003 12 0 "[ . 1 . 2]" 2
1035 1 84 SER QB 1 88 THR MG . . 4.860 3.020 2.541 3.749 . 0 0 "[ . 1 . 2]" 2
1036 1 85 LEU HA 1 88 THR MG . . 4.700 4.192 2.544 4.449 . 0 0 "[ . 1 . 2]" 2
1037 1 87 LYS HA 1 88 THR MG . . 5.380 4.651 4.573 5.027 . 0 0 "[ . 1 . 2]" 2
1038 1 56 THR HA 1 57 PHE QD . . 4.080 3.855 3.739 3.969 . 0 0 "[ . 1 . 2]" 2
1039 1 62 ILE MG 1 85 LEU HB3 . . 3.490 2.455 2.215 2.963 . 0 0 "[ . 1 . 2]" 2
1040 1 82 LEU HA 1 85 LEU HB2 . . 4.780 2.035 1.995 2.234 . 0 0 "[ . 1 . 2]" 2
1041 1 85 LEU HB3 1 86 LEU H . . 4.100 3.255 3.043 3.376 . 0 0 "[ . 1 . 2]" 2
1042 1 85 LEU HB3 1 85 LEU MD1 . . 3.490 2.375 2.218 3.189 . 0 0 "[ . 1 . 2]" 2
1043 1 85 LEU H 1 85 LEU MD1 . . 4.170 3.867 2.477 4.174 0.004 20 0 "[ . 1 . 2]" 2
1044 1 85 LEU HA 1 85 LEU MD2 . . 4.180 2.380 2.047 3.804 . 0 0 "[ . 1 . 2]" 2
1045 1 85 LEU HB3 1 85 LEU MD2 . . 3.490 2.932 2.265 3.195 . 0 0 "[ . 1 . 2]" 2
1046 1 86 LEU HB3 1 87 LYS H . . 4.310 4.137 4.097 4.180 . 0 0 "[ . 1 . 2]" 2
1047 1 86 LEU HB2 1 87 LYS H . . 4.310 3.925 3.019 4.002 . 0 0 "[ . 1 . 2]" 2
1048 1 86 LEU HA 1 86 LEU HG . . 3.860 3.664 3.562 3.687 . 0 0 "[ . 1 . 2]" 2
1049 1 31 ALA MB 1 86 LEU HA . . 5.500 5.441 5.165 5.516 0.016 17 0 "[ . 1 . 2]" 2
1050 1 8 VAL MG2 1 86 LEU HA . . 4.660 3.384 3.241 3.621 . 0 0 "[ . 1 . 2]" 2
1051 1 6 VAL QG 1 86 LEU HA . . 3.120 2.733 2.514 2.922 . 0 0 "[ . 1 . 2]" 2
1052 1 83 ASP HA 1 86 LEU HG . . 3.860 2.560 2.319 2.667 . 0 0 "[ . 1 . 2]" 2
1053 1 5 MET HA 1 87 LYS HA . . 3.780 3.197 2.028 3.723 . 0 0 "[ . 1 . 2]" 2
1054 1 87 LYS HB2 1 88 THR H . . 4.140 2.963 2.691 3.623 . 0 0 "[ . 1 . 2]" 2
1055 1 87 LYS HB3 1 88 THR H . . 4.140 3.009 2.452 3.403 . 0 0 "[ . 1 . 2]" 2
1056 1 6 VAL QG 1 87 LYS HB2 . . 5.500 5.316 4.968 5.512 0.012 15 0 "[ . 1 . 2]" 2
1057 1 6 VAL QG 1 87 LYS HB3 . . 5.500 5.215 4.821 5.494 . 0 0 "[ . 1 . 2]" 2
1058 1 87 LYS H 1 87 LYS HG3 . . 4.910 3.592 3.106 4.575 . 0 0 "[ . 1 . 2]" 2
1059 1 87 LYS HA 1 87 LYS QD . . 3.980 3.532 2.268 3.986 0.006 2 0 "[ . 1 . 2]" 2
1060 1 81 LYS QE 1 82 LEU H . . 5.500 5.085 4.589 5.539 0.039 12 0 "[ . 1 . 2]" 2
1061 1 87 LYS H 1 87 LYS QE . . 5.500 4.824 4.003 5.466 . 0 0 "[ . 1 . 2]" 2
1062 1 87 LYS QE 1 88 THR MG . . 5.500 4.709 2.338 5.480 . 0 0 "[ . 1 . 2]" 2
1063 1 88 THR MG 1 90 LYS QE . . 5.500 4.992 3.681 5.499 . 0 0 "[ . 1 . 2]" 2
1064 1 88 THR HB 1 90 LYS QD . . 4.590 2.910 1.980 4.159 . 0 0 "[ . 1 . 2]" 2
1065 1 88 THR HB 1 89 GLY H . . 4.540 3.875 3.692 4.082 . 0 0 "[ . 1 . 2]" 2
1066 1 88 THR HA 1 90 LYS H . . 4.820 4.611 4.242 4.783 . 0 0 "[ . 1 . 2]" 2
1067 1 6 VAL QG 1 89 GLY HA3 . . 3.450 1.904 1.841 2.041 . 0 0 "[ . 1 . 2]" 2
1068 1 6 VAL QG 1 89 GLY HA2 . . 3.450 2.096 1.938 2.262 . 0 0 "[ . 1 . 2]" 2
1069 1 62 ILE MG 1 89 GLY HA2 . . 3.700 2.124 1.951 2.273 . 0 0 "[ . 1 . 2]" 2
1070 1 62 ILE MG 1 89 GLY HA3 . . 3.700 3.545 3.299 3.715 0.015 20 0 "[ . 1 . 2]" 2
1071 1 90 LYS HA 1 90 LYS QG . . 3.740 2.806 2.264 3.434 . 0 0 "[ . 1 . 2]" 2
1072 1 88 THR HB 1 90 LYS QG . . 5.500 4.326 3.164 5.341 . 0 0 "[ . 1 . 2]" 2
1073 1 90 LYS H 1 90 LYS QG . . 4.220 3.327 2.090 3.803 . 0 0 "[ . 1 . 2]" 2
1074 1 90 LYS H 1 90 LYS QE . . 4.890 4.573 3.732 4.907 0.017 13 0 "[ . 1 . 2]" 2
1075 1 91 LEU HA 1 91 LEU QD . . 3.280 2.705 1.972 3.320 0.040 11 0 "[ . 1 . 2]" 2
1076 1 91 LEU QD 1 92 ILE H . . 4.210 3.283 2.312 4.190 . 0 0 "[ . 1 . 2]" 2
1077 1 91 LEU H 1 91 LEU HG . . 4.140 3.049 2.342 4.181 0.041 8 0 "[ . 1 . 2]" 2
1078 1 65 VAL MG2 1 90 LYS HA . . 4.590 2.325 1.949 2.698 . 0 0 "[ . 1 . 2]" 2
1079 1 66 HIS HB3 1 67 VAL H . . 5.480 4.468 4.427 4.497 . 0 0 "[ . 1 . 2]" 2
1080 1 7 ASP QB 1 63 GLY H . . 4.750 4.660 4.389 4.766 0.016 4 0 "[ . 1 . 2]" 2
1081 1 9 ILE HB 1 61 PHE H . . 4.710 3.990 3.808 4.210 . 0 0 "[ . 1 . 2]" 2
1082 1 9 ILE HB 1 61 PHE QD . . 4.300 2.137 2.040 2.310 . 0 0 "[ . 1 . 2]" 2
1083 1 77 GLU H 1 78 ASP HB2 . . 5.080 4.697 4.560 4.804 . 0 0 "[ . 1 . 2]" 2
1084 1 78 ASP HB2 1 80 GLY H . . 5.500 5.471 5.323 5.508 0.008 15 0 "[ . 1 . 2]" 2
1085 1 75 ALA H 1 78 ASP HB2 . . 5.450 5.166 5.040 5.458 0.008 15 0 "[ . 1 . 2]" 2
1086 1 8 VAL HA 1 61 PHE QB . . 5.500 4.134 3.869 4.351 . 0 0 "[ . 1 . 2]" 2
1087 1 9 ILE HA 1 61 PHE QB . . 5.500 4.439 4.113 4.686 . 0 0 "[ . 1 . 2]" 2
1088 1 60 ILE HA 1 61 PHE QB . . 5.500 4.559 4.468 4.597 . 0 0 "[ . 1 . 2]" 2
1089 1 61 PHE QE 1 66 HIS HA . . 5.270 4.290 4.048 4.523 . 0 0 "[ . 1 . 2]" 2
1090 1 13 ARG H 1 16 CYS HB3 . . 4.630 3.414 2.681 4.025 . 0 0 "[ . 1 . 2]" 2
1091 1 60 ILE H 1 60 ILE HG13 . . 4.320 4.031 3.919 4.130 . 0 0 "[ . 1 . 2]" 2
1092 1 60 ILE H 1 60 ILE HB . . 3.900 2.554 2.481 2.670 . 0 0 "[ . 1 . 2]" 2
1093 1 60 ILE HB 1 67 VAL H . . 5.350 4.071 3.856 4.333 . 0 0 "[ . 1 . 2]" 2
1094 1 60 ILE HB 1 68 GLY H . . 4.900 2.093 1.911 2.288 . 0 0 "[ . 1 . 2]" 2
1095 1 60 ILE HA 1 60 ILE MD . . 3.470 2.579 1.978 2.967 . 0 0 "[ . 1 . 2]" 2
1096 1 60 ILE H 1 60 ILE MG . . 4.040 3.780 3.725 3.864 . 0 0 "[ . 1 . 2]" 2
1097 1 60 ILE MG 1 61 PHE QB . . 4.830 4.645 4.567 4.708 . 0 0 "[ . 1 . 2]" 2
1098 1 60 ILE MG 1 61 PHE QD . . 5.070 5.037 4.897 5.146 0.076 5 0 "[ . 1 . 2]" 2
1099 1 60 ILE MD 1 68 GLY H . . 5.430 3.904 3.238 4.744 . 0 0 "[ . 1 . 2]" 2
1100 1 6 VAL HA 1 7 ASP QB . . 4.480 4.354 4.083 4.485 0.005 20 0 "[ . 1 . 2]" 2
1101 1 71 ASP HB3 1 72 ASP H . . 4.750 2.594 2.396 3.400 . 0 0 "[ . 1 . 2]" 2
1102 1 71 ASP HB2 1 72 ASP H . . 4.750 3.468 2.488 3.886 . 0 0 "[ . 1 . 2]" 2
1103 1 10 ILE MD 1 58 PRO HG2 . . 5.500 5.351 5.043 5.519 0.019 9 0 "[ . 1 . 2]" 2
1104 1 10 ILE MD 1 58 PRO HG3 . . 5.500 5.344 5.158 5.506 0.006 3 0 "[ . 1 . 2]" 2
1105 1 18 TYR HB3 1 58 PRO HD3 . . 4.400 3.649 2.706 4.363 . 0 0 "[ . 1 . 2]" 2
1106 1 18 TYR HB2 1 58 PRO HD3 . . 4.400 2.866 2.063 3.628 . 0 0 "[ . 1 . 2]" 2
1107 1 22 ALA MB 1 58 PRO HD3 . . 5.500 5.206 4.914 5.363 . 0 0 "[ . 1 . 2]" 2
1108 1 22 ALA MB 1 58 PRO HD2 . . 5.500 5.395 5.111 5.512 0.012 19 0 "[ . 1 . 2]" 2
1109 1 19 CYS H 1 58 PRO HD2 . . 5.500 5.388 4.989 5.535 0.035 2 0 "[ . 1 . 2]" 2
1110 1 19 CYS H 1 58 PRO HD3 . . 5.230 3.855 3.492 4.051 . 0 0 "[ . 1 . 2]" 2
1111 1 18 TYR QD 1 58 PRO HD3 . . 5.190 4.206 3.071 4.968 . 0 0 "[ . 1 . 2]" 2
1112 1 58 PRO HB3 1 60 ILE MD . . 4.630 4.163 3.781 4.607 . 0 0 "[ . 1 . 2]" 2
1113 1 12 THR MG 1 58 PRO HB3 . . 5.430 3.504 2.502 4.778 . 0 0 "[ . 1 . 2]" 2
1114 1 12 THR MG 1 58 PRO HB2 . . 5.500 4.158 3.165 5.517 0.017 18 0 "[ . 1 . 2]" 2
1115 1 58 PRO HB2 1 60 ILE MD . . 4.060 2.812 2.383 3.371 . 0 0 "[ . 1 . 2]" 2
1116 1 58 PRO HB3 1 59 GLN H . . 4.410 4.062 3.930 4.165 . 0 0 "[ . 1 . 2]" 2
1117 1 11 TYR H 1 58 PRO HB2 . . 5.500 5.319 5.035 5.521 0.021 3 0 "[ . 1 . 2]" 2
1118 1 12 THR MG 1 58 PRO HA . . 5.430 3.552 2.685 4.766 . 0 0 "[ . 1 . 2]" 2
1119 1 57 PHE HA 1 58 PRO HA . . 4.610 4.386 4.385 4.387 . 0 0 "[ . 1 . 2]" 2
1120 1 57 PHE QD 1 58 PRO HA . . 4.810 4.800 4.765 4.834 0.024 8 0 "[ . 1 . 2]" 2
1121 1 41 THR MG 1 42 PRO HG3 . . 5.040 4.375 4.211 4.497 . 0 0 "[ . 1 . 2]" 2
1122 1 41 THR MG 1 42 PRO HG2 . . 5.040 4.130 3.949 4.251 . 0 0 "[ . 1 . 2]" 2
1123 1 41 THR HA 1 42 PRO HG3 . . 4.850 4.520 4.471 4.528 . 0 0 "[ . 1 . 2]" 2
1124 1 41 THR HA 1 42 PRO HG2 . . 4.850 4.575 4.511 4.585 . 0 0 "[ . 1 . 2]" 2
1125 1 41 THR HB 1 42 PRO HG3 . . 5.010 4.686 4.616 4.879 . 0 0 "[ . 1 . 2]" 2
1126 1 41 THR HB 1 42 PRO HG2 . . 5.010 3.723 3.669 3.891 . 0 0 "[ . 1 . 2]" 2
1127 1 42 PRO HG2 1 43 GLU H . . 4.800 2.105 2.066 2.189 . 0 0 "[ . 1 . 2]" 2
1128 1 41 THR HB 1 42 PRO HD3 . . 3.880 3.539 3.472 3.713 . 0 0 "[ . 1 . 2]" 2
1129 1 41 THR HB 1 42 PRO HD2 . . 3.880 2.114 2.031 2.326 . 0 0 "[ . 1 . 2]" 2
1130 1 41 THR HA 1 42 PRO HD3 . . 3.370 2.332 2.299 2.339 . 0 0 "[ . 1 . 2]" 2
1131 1 41 THR HA 1 42 PRO HD2 . . 3.370 2.475 2.397 2.488 . 0 0 "[ . 1 . 2]" 2
1132 1 42 PRO HD3 1 43 GLU H . . 4.820 3.845 3.838 3.849 . 0 0 "[ . 1 . 2]" 2
1133 1 42 PRO HA 1 44 LEU H . . 5.450 4.763 4.319 4.892 . 0 0 "[ . 1 . 2]" 2
1134 1 41 THR MG 1 42 PRO HA . . 5.420 5.354 5.265 5.418 . 0 0 "[ . 1 . 2]" 2
1135 1 42 PRO HA 1 46 ALA MB . . 5.500 4.460 4.170 4.792 . 0 0 "[ . 1 . 2]" 2
1136 1 17 PRO HG3 1 18 TYR QE . . 5.070 4.534 4.150 4.878 . 0 0 "[ . 1 . 2]" 2
1137 1 17 PRO HG2 1 18 TYR QE . . 5.340 3.665 3.283 3.983 . 0 0 "[ . 1 . 2]" 2
1138 1 17 PRO HG3 1 18 TYR QD . . 4.780 4.513 3.633 4.782 0.002 9 0 "[ . 1 . 2]" 2
1139 1 6 VAL HB 1 63 GLY HA3 . . 4.590 3.102 2.846 3.498 . 0 0 "[ . 1 . 2]" 2
1140 1 17 PRO HA 1 21 ARG H . . 4.770 4.395 4.158 4.764 . 0 0 "[ . 1 . 2]" 2
1141 1 12 THR MG 1 35 GLU HB2 . . 5.500 4.969 4.314 5.353 . 0 0 "[ . 1 . 2]" 2
1142 1 13 ARG HB3 1 14 PRO HD2 . . 4.620 3.395 2.715 3.565 . 0 0 "[ . 1 . 2]" 2
1143 1 13 ARG HB3 1 14 PRO HD3 . . 4.620 4.377 3.750 4.544 . 0 0 "[ . 1 . 2]" 2
1144 1 13 ARG H 1 14 PRO HD3 . . 5.240 5.006 4.846 5.082 . 0 0 "[ . 1 . 2]" 2
1145 1 13 ARG H 1 14 PRO HD2 . . 5.240 4.790 4.761 4.807 . 0 0 "[ . 1 . 2]" 2
1146 1 70 CYS HA 1 74 TYR H . . 5.050 3.787 3.680 3.966 . 0 0 "[ . 1 . 2]" 2
1147 1 6 VAL HA 1 63 GLY H . . 5.500 5.481 5.372 5.521 0.021 14 0 "[ . 1 . 2]" 2
1148 1 7 ASP HA 1 8 VAL MG2 . . 5.010 3.645 3.500 3.826 . 0 0 "[ . 1 . 2]" 2
1149 1 7 ASP HA 1 8 VAL HB . . 4.950 4.650 4.587 4.732 . 0 0 "[ . 1 . 2]" 2
1150 1 7 ASP HA 1 8 VAL HA . . 4.980 4.394 4.389 4.402 . 0 0 "[ . 1 . 2]" 2
1151 1 8 VAL HA 1 62 ILE HA . . 4.790 2.820 2.594 2.958 . 0 0 "[ . 1 . 2]" 2
1152 1 8 VAL HA 1 9 ILE HB . . 5.500 4.732 4.679 4.787 . 0 0 "[ . 1 . 2]" 2
1153 1 8 VAL MG2 1 33 PHE QD . . 5.150 4.918 4.702 5.050 . 0 0 "[ . 1 . 2]" 2
1154 1 7 ASP H 1 8 VAL MG2 . . 5.000 4.580 4.447 4.660 . 0 0 "[ . 1 . 2]" 2
1155 1 8 VAL MG2 1 32 GLU H . . 5.490 5.141 4.650 5.493 0.003 10 0 "[ . 1 . 2]" 2
1156 1 8 VAL MG2 1 34 ASN H . . 5.500 5.219 4.962 5.343 . 0 0 "[ . 1 . 2]" 2
1157 1 9 ILE H 1 9 ILE HG12 . . 4.530 3.754 3.613 3.891 . 0 0 "[ . 1 . 2]" 2
1158 1 9 ILE MG 1 10 ILE HA . . 5.040 3.784 3.602 3.944 . 0 0 "[ . 1 . 2]" 2
1159 1 9 ILE MG 1 34 ASN H . . 4.690 4.073 3.749 4.336 . 0 0 "[ . 1 . 2]" 2
1160 1 9 ILE MG 1 36 ILE H . . 5.050 3.987 3.758 4.187 . 0 0 "[ . 1 . 2]" 2
1161 1 9 ILE MG 1 61 PHE H . . 4.680 4.628 4.529 4.703 0.023 5 0 "[ . 1 . 2]" 2
1162 1 9 ILE MG 1 61 PHE QB . . 4.260 3.738 3.529 3.935 . 0 0 "[ . 1 . 2]" 2
1163 1 9 ILE MD 1 11 TYR QE . . 5.000 4.487 3.937 4.818 . 0 0 "[ . 1 . 2]" 2
1164 1 9 ILE MD 1 61 PHE QD . . 4.760 3.605 3.389 3.921 . 0 0 "[ . 1 . 2]" 2
1165 1 9 ILE MD 1 10 ILE H . . 5.110 5.016 4.847 5.132 0.022 8 0 "[ . 1 . 2]" 2
1166 1 9 ILE H 1 9 ILE MD . . 4.600 4.035 3.898 4.124 . 0 0 "[ . 1 . 2]" 2
1167 1 9 ILE MD 1 34 ASN H . . 5.500 5.304 4.993 5.516 0.016 5 0 "[ . 1 . 2]" 2
1168 1 9 ILE MD 1 61 PHE QB . . 4.240 3.570 3.378 3.691 . 0 0 "[ . 1 . 2]" 2
1169 1 10 ILE HA 1 10 ILE MD . . 4.250 3.473 3.264 3.770 . 0 0 "[ . 1 . 2]" 2
1170 1 10 ILE HA 1 11 TYR QB . . 5.080 4.004 3.979 4.044 . 0 0 "[ . 1 . 2]" 2
1171 1 10 ILE HA 1 59 GLN H . . 5.100 4.719 4.564 4.876 . 0 0 "[ . 1 . 2]" 2
1172 1 10 ILE HA 1 61 PHE H . . 4.430 3.102 2.832 3.312 . 0 0 "[ . 1 . 2]" 2
1173 1 9 ILE HA 1 10 ILE HB . . 5.070 4.455 4.319 4.598 . 0 0 "[ . 1 . 2]" 2
1174 1 10 ILE HB 1 60 ILE HA . . 5.300 3.837 3.505 4.092 . 0 0 "[ . 1 . 2]" 2
1175 1 10 ILE HB 1 11 TYR H . . 4.410 4.151 4.088 4.187 . 0 0 "[ . 1 . 2]" 2
1176 1 10 ILE H 1 10 ILE HG12 . . 5.270 4.583 4.480 4.687 . 0 0 "[ . 1 . 2]" 2
1177 1 10 ILE MG 1 11 TYR H . . 4.440 3.807 3.671 3.949 . 0 0 "[ . 1 . 2]" 2
1178 1 10 ILE MD 1 59 GLN H . . 4.980 4.585 3.520 4.909 . 0 0 "[ . 1 . 2]" 2
1179 1 10 ILE MD 1 22 ALA H . . 5.450 5.146 4.770 5.473 0.023 18 0 "[ . 1 . 2]" 2
1180 1 10 ILE H 1 10 ILE MD . . 4.750 4.660 4.228 4.757 0.007 11 0 "[ . 1 . 2]" 2
1181 1 10 ILE MD 1 11 TYR H . . 4.620 3.952 2.625 4.138 . 0 0 "[ . 1 . 2]" 2
1182 1 10 ILE MD 1 60 ILE HA . . 5.500 3.671 3.226 4.765 . 0 0 "[ . 1 . 2]" 2
1183 1 10 ILE MD 1 19 CYS HA . . 5.050 4.359 3.999 4.768 . 0 0 "[ . 1 . 2]" 2
1184 1 10 ILE MD 1 23 LYS HA . . 4.740 2.938 2.422 3.991 . 0 0 "[ . 1 . 2]" 2
1185 1 10 ILE MD 1 58 PRO HB3 . . 4.370 4.045 3.313 4.229 . 0 0 "[ . 1 . 2]" 2
1186 1 10 ILE MD 1 33 PHE QB . . 5.500 4.203 3.968 5.256 . 0 0 "[ . 1 . 2]" 2
1187 1 10 ILE MD 1 58 PRO HB2 . . 4.020 3.456 3.206 3.608 . 0 0 "[ . 1 . 2]" 2
1188 1 10 ILE MD 1 23 LYS QD . . 3.760 2.568 2.117 3.071 . 0 0 "[ . 1 . 2]" 2
1189 1 10 ILE MD 1 12 THR MG . . 3.550 2.923 1.915 3.563 0.013 13 0 "[ . 1 . 2]" 2
1190 1 32 GLU HA 1 33 PHE QB . . 5.300 4.386 4.321 4.461 . 0 0 "[ . 1 . 2]" 2
1191 1 22 ALA MB 1 25 LEU H . . 5.320 4.612 4.458 4.867 . 0 0 "[ . 1 . 2]" 2
1192 1 22 ALA HA 1 23 LYS HA . . 5.400 4.819 4.791 4.843 . 0 0 "[ . 1 . 2]" 2
1193 1 23 LYS HA 1 24 ALA HA . . 5.500 4.808 4.775 4.844 . 0 0 "[ . 1 . 2]" 2
1194 1 25 LEU H 1 25 LEU HG . . 4.600 4.416 3.863 4.575 . 0 0 "[ . 1 . 2]" 2
1195 1 25 LEU HG 1 74 TYR QD . . 5.500 4.230 2.558 5.549 0.049 4 0 "[ . 1 . 2]" 2
1196 1 27 ALA MB 1 29 LYS H . . 4.960 4.703 4.345 4.898 . 0 0 "[ . 1 . 2]" 2
1197 1 28 ARG HB2 1 29 LYS H . . 3.960 3.702 3.446 3.963 0.003 13 0 "[ . 1 . 2]" 2
1198 1 11 TYR HA 1 11 TYR QD . . 3.390 2.528 2.261 2.880 . 0 0 "[ . 1 . 2]" 2
1199 1 11 TYR HA 1 11 TYR QE . . 4.640 4.285 4.177 4.431 . 0 0 "[ . 1 . 2]" 2
1200 1 18 TYR HA 1 18 TYR QD . . 3.370 2.481 2.155 2.876 . 0 0 "[ . 1 . 2]" 2
1201 1 74 TYR HA 1 74 TYR QE . . 4.980 4.369 4.281 4.508 . 0 0 "[ . 1 . 2]" 2
1202 1 22 ALA HA 1 74 TYR QE . . 3.160 3.043 2.604 3.180 0.020 14 0 "[ . 1 . 2]" 2
1203 1 23 LYS HE2 1 33 PHE QE . . 4.440 4.460 4.441 4.490 0.050 15 0 "[ . 1 . 2]" 2
1204 1 33 PHE QE 1 35 GLU HA . . 4.140 4.040 3.733 4.149 0.009 14 0 "[ . 1 . 2]" 2
1205 1 27 ALA HA 1 33 PHE QE . . 3.730 3.370 3.022 3.724 . 0 0 "[ . 1 . 2]" 2
1206 1 33 PHE QD 1 34 ASN HA . . 4.730 4.120 3.895 4.258 . 0 0 "[ . 1 . 2]" 2
1207 1 11 TYR QD 1 38 ALA HA . . 4.560 3.652 2.595 4.556 . 0 0 "[ . 1 . 2]" 2
1208 1 11 TYR QD 1 37 ASP HA . . 5.110 4.923 4.477 5.127 0.017 12 0 "[ . 1 . 2]" 2
1209 1 10 ILE HA 1 11 TYR QD . . 4.470 4.173 3.840 4.418 . 0 0 "[ . 1 . 2]" 2
1210 1 57 PHE QE 1 59 GLN HA . . 5.260 3.508 3.355 3.682 . 0 0 "[ . 1 . 2]" 2
1211 1 57 PHE QE 1 58 PRO HA . . 5.500 5.442 5.365 5.516 0.016 16 0 "[ . 1 . 2]" 2
1212 1 26 LEU HA 1 33 PHE QE . . 5.500 4.448 4.170 4.701 . 0 0 "[ . 1 . 2]" 2
1213 1 72 ASP H 1 73 LEU HA . . 5.500 5.301 5.192 5.365 . 0 0 "[ . 1 . 2]" 2
1214 1 26 LEU HA 1 33 PHE QD . . 5.260 5.071 4.684 5.274 0.014 15 0 "[ . 1 . 2]" 2
1215 1 33 PHE QE 1 35 GLU HB2 . . 3.650 3.089 2.843 3.300 . 0 0 "[ . 1 . 2]" 2
1216 1 11 TYR QD 1 48 MET HB3 . . 4.440 4.146 3.835 4.602 0.162 15 0 "[ . 1 . 2]" 2
1217 1 10 ILE HB 1 33 PHE QD . . 3.640 3.311 3.007 3.643 0.003 10 0 "[ . 1 . 2]" 2
1218 1 11 TYR QD 1 38 ALA MB . . 2.640 1.955 1.890 2.098 . 0 0 "[ . 1 . 2]" 2
1219 1 26 LEU HB3 1 33 PHE QE . . 3.740 2.198 1.999 2.768 . 0 0 "[ . 1 . 2]" 2
1220 1 57 PHE QE 1 58 PRO HG2 . . 4.440 4.213 3.993 4.449 0.009 8 0 "[ . 1 . 2]" 2
1221 1 11 TYR QD 1 48 MET HB2 . . 4.440 3.512 2.755 4.251 . 0 0 "[ . 1 . 2]" 2
1222 1 23 LYS HG2 1 33 PHE QE . . 4.760 3.930 3.169 4.239 . 0 0 "[ . 1 . 2]" 2
1223 1 26 LEU HB2 1 33 PHE QE . . 3.740 2.595 2.359 2.958 . 0 0 "[ . 1 . 2]" 2
1224 1 11 TYR QD 1 36 ILE HB . . 3.380 2.525 2.215 3.056 . 0 0 "[ . 1 . 2]" 2
1225 1 9 ILE MD 1 11 TYR QD . . 5.500 5.075 4.863 5.238 . 0 0 "[ . 1 . 2]" 2
1226 1 23 LYS HG3 1 33 PHE QE . . 5.500 4.791 4.271 5.008 . 0 0 "[ . 1 . 2]" 2
1227 1 9 ILE MG 1 11 TYR QD . . 4.060 2.688 2.564 2.815 . 0 0 "[ . 1 . 2]" 2
1228 1 11 TYR QD 1 36 ILE MD . . 3.850 3.207 2.875 3.525 . 0 0 "[ . 1 . 2]" 2
1229 1 10 ILE MD 1 33 PHE QE . . 4.230 3.464 2.899 3.971 . 0 0 "[ . 1 . 2]" 2
1230 1 11 TYR HA 1 61 PHE QE . . 4.900 4.775 4.466 4.934 0.034 13 0 "[ . 1 . 2]" 2
1231 1 23 LYS HA 1 33 PHE QE . . 3.700 3.337 3.061 3.554 . 0 0 "[ . 1 . 2]" 2
1232 1 9 ILE HB 1 61 PHE QE . . 4.270 4.296 4.238 4.348 0.078 13 0 "[ . 1 . 2]" 2
1233 1 61 PHE HA 1 61 PHE QD . . 3.390 2.392 2.154 2.720 . 0 0 "[ . 1 . 2]" 2
1234 1 61 PHE HA 1 61 PHE QE . . 4.810 4.539 4.439 4.679 . 0 0 "[ . 1 . 2]" 2
1235 1 10 ILE HA 1 61 PHE QD . . 4.480 3.915 3.333 4.456 . 0 0 "[ . 1 . 2]" 2
1236 1 10 ILE HA 1 61 PHE QE . . 5.500 4.680 4.130 5.107 . 0 0 "[ . 1 . 2]" 2
1237 1 9 ILE HA 1 61 PHE QD . . 4.950 4.547 4.378 4.764 . 0 0 "[ . 1 . 2]" 2
1238 1 60 ILE HA 1 61 PHE QD . . 5.310 4.555 4.254 4.713 . 0 0 "[ . 1 . 2]" 2
1239 1 52 SER HB2 1 57 PHE QD . . 4.430 2.809 2.265 3.953 . 0 0 "[ . 1 . 2]" 2
1240 1 52 SER HB3 1 57 PHE QD . . 4.430 3.136 2.406 3.617 . 0 0 "[ . 1 . 2]" 2
1241 1 51 ARG HD2 1 61 PHE HZ . . 4.290 4.086 3.582 4.298 0.008 9 0 "[ . 1 . 2]" 2
1242 1 48 MET HA 1 61 PHE HZ . . 4.620 4.334 3.913 4.645 0.025 2 0 "[ . 1 . 2]" 2
1243 1 51 ARG HD3 1 61 PHE QE . . 5.100 3.310 2.779 3.531 . 0 0 "[ . 1 . 2]" 2
1244 1 11 TYR QE 1 47 GLU HG2 . . 4.950 4.871 4.210 4.974 0.024 16 0 "[ . 1 . 2]" 2
1245 1 11 TYR QE 1 36 ILE MG . . 3.420 2.339 2.032 2.745 . 0 0 "[ . 1 . 2]" 2
1246 1 9 ILE MG 1 61 PHE QD . . 3.850 2.674 2.374 3.054 . 0 0 "[ . 1 . 2]" 2
1247 1 9 ILE MG 1 11 TYR QE . . 3.510 2.906 2.293 3.263 . 0 0 "[ . 1 . 2]" 2
1248 1 11 TYR QE 1 36 ILE MD . . 3.360 1.978 1.889 2.095 . 0 0 "[ . 1 . 2]" 2
1249 1 11 TYR QB 1 61 PHE QE . . 3.620 2.764 2.401 3.001 . 0 0 "[ . 1 . 2]" 2
1250 1 61 PHE HZ 1 66 HIS HE1 . . 5.150 4.971 4.685 5.181 0.031 13 0 "[ . 1 . 2]" 2
1251 1 51 ARG QB 1 66 HIS HE1 . . 4.740 2.785 2.488 2.888 . 0 0 "[ . 1 . 2]" 2
1252 1 25 LEU MD2 1 74 TYR QE . . 4.200 3.018 2.261 4.254 0.054 14 0 "[ . 1 . 2]" 2
1253 1 25 LEU HG 1 74 TYR QE . . 5.500 3.958 2.666 5.216 . 0 0 "[ . 1 . 2]" 2
1254 1 25 LEU HB2 1 74 TYR QE . . 3.880 2.726 2.135 3.161 . 0 0 "[ . 1 . 2]" 2
1255 1 25 LEU MD1 1 74 TYR QE . . 4.200 3.707 2.159 4.218 0.018 15 0 "[ . 1 . 2]" 2
1256 1 25 LEU MD1 1 26 LEU H . . 5.020 4.023 2.974 4.778 . 0 0 "[ . 1 . 2]" 2
1257 1 25 LEU MD1 1 74 TYR QD . . 5.230 3.860 2.066 4.708 . 0 0 "[ . 1 . 2]" 2
1258 1 25 LEU MD2 1 26 LEU H . . 5.020 4.231 3.369 4.617 . 0 0 "[ . 1 . 2]" 2
1259 1 71 ASP HA 1 74 TYR QD . . 4.790 4.610 4.225 4.817 0.027 19 0 "[ . 1 . 2]" 2
1260 1 51 ARG HD3 1 61 PHE HZ . . 4.290 4.072 3.621 4.300 0.010 6 0 "[ . 1 . 2]" 2
1261 1 11 TYR QB 1 61 PHE HZ . . 4.790 3.601 3.163 4.268 . 0 0 "[ . 1 . 2]" 2
1262 1 23 LYS HE3 1 33 PHE QE . . 4.440 3.386 3.045 4.398 . 0 0 "[ . 1 . 2]" 2
1263 1 11 TYR QE 1 38 ALA MB . . 3.640 2.510 1.948 3.591 . 0 0 "[ . 1 . 2]" 2
1264 1 23 LYS QD 1 33 PHE QE . . 3.310 2.031 1.882 2.298 . 0 0 "[ . 1 . 2]" 2
1265 1 27 ALA MB 1 33 PHE QE . . 3.360 2.974 2.236 3.351 . 0 0 "[ . 1 . 2]" 2
1266 1 11 TYR QE 1 44 LEU HG . . 5.110 4.884 4.371 5.137 0.027 10 0 "[ . 1 . 2]" 2
1267 1 11 TYR QE 1 48 MET QG . . 5.500 3.909 2.874 5.573 0.073 2 0 "[ . 1 . 2]" 2
1268 1 48 MET QG 1 61 PHE HZ . . 5.500 4.082 2.347 5.528 0.028 6 0 "[ . 1 . 2]" 2
1269 1 11 TYR QE 1 36 ILE HB . . 4.090 2.475 2.219 3.015 . 0 0 "[ . 1 . 2]" 2
1270 1 12 THR MG 1 33 PHE QE . . 5.050 4.715 4.351 4.958 . 0 0 "[ . 1 . 2]" 2
1271 1 11 TYR QD 1 36 ILE MG . . 3.610 3.523 3.437 3.596 . 0 0 "[ . 1 . 2]" 2
1272 1 10 ILE MG 1 33 PHE QE . . 3.520 2.354 2.119 2.539 . 0 0 "[ . 1 . 2]" 2
1273 1 17 PRO HG2 1 18 TYR QD . . 4.210 3.101 2.108 3.452 . 0 0 "[ . 1 . 2]" 2
1274 1 25 LEU HA 1 74 TYR QE . . 5.500 5.052 4.489 5.509 0.009 4 0 "[ . 1 . 2]" 2
1275 1 22 ALA HA 1 26 LEU H . . 4.690 4.174 4.021 4.277 . 0 0 "[ . 1 . 2]" 2
1276 1 22 ALA HA 1 74 TYR QD . . 4.910 3.996 3.717 4.301 . 0 0 "[ . 1 . 2]" 2
1277 1 70 CYS HA 1 74 TYR QE . . 5.460 4.192 3.886 4.714 . 0 0 "[ . 1 . 2]" 2
1278 1 70 CYS HA 1 74 TYR QD . . 4.420 3.529 3.047 3.978 . 0 0 "[ . 1 . 2]" 2
1279 1 21 ARG QB 1 74 TYR QE . . 3.630 2.872 2.089 3.138 . 0 0 "[ . 1 . 2]" 2
1280 1 25 LEU HB3 1 74 TYR QE . . 3.880 3.595 3.137 3.887 0.007 14 0 "[ . 1 . 2]" 2
1281 1 73 LEU HG 1 74 TYR QD . . 5.500 4.408 3.873 5.336 . 0 0 "[ . 1 . 2]" 2
1282 1 25 LEU MD2 1 74 TYR QD . . 5.230 3.283 2.172 4.663 . 0 0 "[ . 1 . 2]" 2
1283 1 33 PHE QD 1 35 GLU HA . . 3.420 3.397 3.270 3.457 0.037 14 0 "[ . 1 . 2]" 2
1284 1 27 ALA HA 1 33 PHE QD . . 5.010 4.680 3.832 5.025 0.015 20 0 "[ . 1 . 2]" 2
1285 1 32 GLU HA 1 33 PHE QD . . 3.950 3.787 3.470 3.959 0.009 16 0 "[ . 1 . 2]" 2
1286 1 13 ARG H 1 19 CYS HB2 . . 4.460 4.211 3.769 4.528 0.068 14 0 "[ . 1 . 2]" 2
1287 1 23 LYS HA 1 33 PHE HZ . . 4.090 2.750 2.197 3.117 . 0 0 "[ . 1 . 2]" 2
1288 1 8 VAL HB 1 33 PHE QD . . 4.610 4.555 4.308 4.615 0.005 17 0 "[ . 1 . 2]" 2
1289 1 33 PHE QD 1 35 GLU HB2 . . 3.800 3.550 3.364 3.681 . 0 0 "[ . 1 . 2]" 2
1290 1 33 PHE HZ 1 35 GLU HB2 . . 5.500 5.369 4.969 5.513 0.013 19 0 "[ . 1 . 2]" 2
1291 1 32 GLU QB 1 33 PHE QD . . 5.380 5.054 4.806 5.163 . 0 0 "[ . 1 . 2]" 2
1292 1 23 LYS QD 1 33 PHE QD . . 4.680 3.862 3.720 3.964 . 0 0 "[ . 1 . 2]" 2
1293 1 26 LEU HG 1 33 PHE QD . . 5.020 4.977 4.855 5.032 0.012 20 0 "[ . 1 . 2]" 2
1294 1 23 LYS QB 1 33 PHE HZ . . 3.290 2.270 2.005 2.532 . 0 0 "[ . 1 . 2]" 2
1295 1 23 LYS QD 1 33 PHE HZ . . 3.610 2.987 2.167 3.579 . 0 0 "[ . 1 . 2]" 2
1296 1 27 ALA MB 1 33 PHE HZ . . 3.890 3.301 2.745 3.852 . 0 0 "[ . 1 . 2]" 2
1297 1 27 ALA MB 1 33 PHE QD . . 5.120 4.732 3.880 5.116 . 0 0 "[ . 1 . 2]" 2
1298 1 23 LYS HG2 1 33 PHE QD . . 5.500 5.338 4.938 5.507 0.007 14 0 "[ . 1 . 2]" 2
1299 1 8 VAL MG1 1 33 PHE QD . . 3.840 3.628 3.363 3.827 . 0 0 "[ . 1 . 2]" 2
1300 1 10 ILE MG 1 33 PHE QD . . 3.020 1.931 1.886 2.052 . 0 0 "[ . 1 . 2]" 2
1301 1 10 ILE MG 1 33 PHE HZ . . 4.590 4.114 3.994 4.241 . 0 0 "[ . 1 . 2]" 2
1302 1 10 ILE MD 1 33 PHE QD . . 4.430 3.820 3.469 4.431 0.001 18 0 "[ . 1 . 2]" 2
1303 1 10 ILE MD 1 33 PHE HZ . . 5.440 4.065 3.603 5.176 . 0 0 "[ . 1 . 2]" 2
1304 1 11 TYR QD 1 12 THR HA . . 5.500 5.473 5.233 5.604 0.104 8 0 "[ . 1 . 2]" 2
1305 1 11 TYR QD 1 45 ARG HA . . 5.430 4.810 4.209 5.394 . 0 0 "[ . 1 . 2]" 2
1306 1 57 PHE HA 1 57 PHE QD . . 3.720 3.656 3.651 3.665 . 0 0 "[ . 1 . 2]" 2
1307 1 23 LYS HA 1 33 PHE QD . . 4.840 4.779 4.451 4.863 0.023 5 0 "[ . 1 . 2]" 2
1308 1 56 THR MG 1 57 PHE QD . . 4.980 4.582 4.273 5.014 0.034 6 0 "[ . 1 . 2]" 2
1309 1 57 PHE QD 1 59 GLN HA . . 5.500 4.628 4.525 4.739 . 0 0 "[ . 1 . 2]" 2
1310 1 59 GLN HA 1 61 PHE QE . . 5.500 4.813 4.635 5.203 . 0 0 "[ . 1 . 2]" 2
1311 1 57 PHE QD 1 58 PRO HD2 . . 4.860 2.445 2.302 2.595 . 0 0 "[ . 1 . 2]" 2
1312 1 59 GLN HB3 1 61 PHE QE . . 4.010 2.985 2.709 3.220 . 0 0 "[ . 1 . 2]" 2
1313 1 51 ARG HD2 1 61 PHE QE . . 5.100 4.165 3.682 4.485 . 0 0 "[ . 1 . 2]" 2
1314 1 59 GLN HB3 1 66 HIS HD2 . . 5.500 4.102 3.877 4.311 . 0 0 "[ . 1 . 2]" 2
1315 1 59 GLN HB2 1 61 PHE QE . . 4.010 3.502 2.368 3.899 . 0 0 "[ . 1 . 2]" 2
1316 1 59 GLN HB2 1 66 HIS HD2 . . 5.500 5.545 5.075 5.720 0.220 19 0 "[ . 1 . 2]" 2
1317 1 51 ARG QB 1 66 HIS HD1 . . 4.410 3.005 2.668 3.168 . 0 0 "[ . 1 . 2]" 2
1318 1 51 ARG HG2 1 66 HIS HD1 . . 5.090 4.469 4.015 4.795 . 0 0 "[ . 1 . 2]" 2
1319 1 41 THR H 1 44 LEU HG . . 5.150 5.102 4.901 5.184 0.034 10 0 "[ . 1 . 2]" 2
1320 1 51 ARG HA 1 66 HIS HE1 . . 5.500 5.397 5.056 5.534 0.034 10 0 "[ . 1 . 2]" 2
1321 1 18 TYR QD 1 58 PRO HD2 . . 4.960 4.648 3.530 4.964 0.004 17 0 "[ . 1 . 2]" 2
1322 1 61 PHE QD 1 66 HIS HA . . 3.840 2.503 2.200 2.806 . 0 0 "[ . 1 . 2]" 2
1323 1 66 HIS HA 1 66 HIS HD2 . . 4.030 2.514 2.392 2.574 . 0 0 "[ . 1 . 2]" 2
1324 1 51 ARG HD3 1 66 HIS HE1 . . 5.060 3.352 3.145 4.057 . 0 0 "[ . 1 . 2]" 2
1325 1 66 HIS HB3 1 66 HIS HE1 . . 5.160 4.781 4.757 4.809 . 0 0 "[ . 1 . 2]" 2
1326 1 66 HIS HB2 1 66 HIS HE1 . . 5.160 4.995 4.953 5.038 . 0 0 "[ . 1 . 2]" 2
1327 1 48 MET HA 1 66 HIS HE1 . . 5.500 5.570 5.508 5.641 0.141 15 0 "[ . 1 . 2]" 2
1328 1 51 ARG HD2 1 66 HIS HE1 . . 5.060 4.674 3.865 5.063 0.003 17 0 "[ . 1 . 2]" 2
1329 1 59 GLN HB3 1 66 HIS HE1 . . 5.500 4.553 3.809 4.996 . 0 0 "[ . 1 . 2]" 2
1330 1 59 GLN HB2 1 66 HIS HE1 . . 5.500 5.492 5.351 5.591 0.091 16 0 "[ . 1 . 2]" 2
1331 1 51 ARG HG3 1 66 HIS HE1 . . 5.500 5.372 5.167 5.500 . 20 0 "[ . 1 . 2]" 2
1332 1 51 ARG HG2 1 66 HIS HE1 . . 5.360 5.142 4.656 5.366 0.006 17 0 "[ . 1 . 2]" 2
1333 1 5 MET H 1 5 MET QB . . 3.270 2.770 2.541 3.289 0.019 13 0 "[ . 1 . 2]" 2
1334 1 5 MET H 1 5 MET QG . . 4.530 4.009 2.466 4.348 . 0 0 "[ . 1 . 2]" 2
1335 1 5 MET QG 1 6 VAL QG . . 4.720 3.681 3.299 4.360 . 0 0 "[ . 1 . 2]" 2
1336 1 5 MET QG 1 86 LEU QB . . 4.820 4.681 4.261 4.849 0.029 13 0 "[ . 1 . 2]" 2
1337 1 6 VAL H 1 86 LEU QB . . 5.020 4.750 4.007 5.028 0.008 14 0 "[ . 1 . 2]" 2
1338 1 6 VAL H 1 89 GLY QA . . 5.340 4.808 4.529 4.999 . 0 0 "[ . 1 . 2]" 2
1339 1 8 VAL H 1 9 ILE QG . . 5.050 4.127 3.944 4.261 . 0 0 "[ . 1 . 2]" 2
1340 1 8 VAL MG1 1 26 LEU QD . . 3.260 2.787 2.234 3.115 . 0 0 "[ . 1 . 2]" 2
1341 1 8 VAL MG2 1 26 LEU QD . . 4.440 3.835 3.440 4.228 . 0 0 "[ . 1 . 2]" 2
1342 1 9 ILE H 1 9 ILE QG . . 3.960 2.603 2.434 2.734 . 0 0 "[ . 1 . 2]" 2
1343 1 9 ILE HA 1 9 ILE QG . . 3.690 2.506 2.495 2.538 . 0 0 "[ . 1 . 2]" 2
1344 1 9 ILE QG 1 9 ILE MG . . 3.300 2.303 2.259 2.341 . 0 0 "[ . 1 . 2]" 2
1345 1 9 ILE MG 1 34 ASN QD . . 4.410 3.246 2.797 3.803 . 0 0 "[ . 1 . 2]" 2
1346 1 9 ILE MG 1 36 ILE QG . . 3.440 2.702 2.496 2.994 . 0 0 "[ . 1 . 2]" 2
1347 1 9 ILE QG 1 10 ILE H . . 4.560 4.227 4.146 4.314 . 0 0 "[ . 1 . 2]" 2
1348 1 9 ILE QG 1 34 ASN QB . . 3.590 2.634 2.103 2.922 . 0 0 "[ . 1 . 2]" 2
1349 1 9 ILE QG 1 34 ASN QD . . 4.330 3.564 3.295 4.083 . 0 0 "[ . 1 . 2]" 2
1350 1 9 ILE MD 1 34 ASN QD . . 4.270 3.709 3.256 4.271 0.001 20 0 "[ . 1 . 2]" 2
1351 1 10 ILE H 1 10 ILE QG . . 4.480 4.077 4.010 4.196 . 0 0 "[ . 1 . 2]" 2
1352 1 10 ILE HA 1 10 ILE QG . . 3.460 2.265 2.185 2.340 . 0 0 "[ . 1 . 2]" 2
1353 1 10 ILE MG 1 35 GLU QG . . 3.750 2.992 2.821 3.610 . 0 0 "[ . 1 . 2]" 2
1354 1 10 ILE QG 1 11 TYR H . . 4.520 2.324 2.125 2.449 . 0 0 "[ . 1 . 2]" 2
1355 1 10 ILE QG 1 33 PHE QD . . 4.580 4.526 4.439 4.583 0.003 5 0 "[ . 1 . 2]" 2
1356 1 10 ILE QG 1 33 PHE QE . . 4.500 4.502 4.369 4.572 0.072 20 0 "[ . 1 . 2]" 2
1357 1 10 ILE QG 1 59 GLN H . . 5.110 3.598 3.444 3.755 . 0 0 "[ . 1 . 2]" 2
1358 1 10 ILE QG 1 60 ILE HA . . 4.200 3.276 2.692 3.627 . 0 0 "[ . 1 . 2]" 2
1359 1 10 ILE QG 1 61 PHE H . . 5.130 4.606 4.000 5.008 . 0 0 "[ . 1 . 2]" 2
1360 1 10 ILE MD 1 19 CYS QB . . 5.340 4.225 3.347 4.801 . 0 0 "[ . 1 . 2]" 2
1361 1 11 TYR QB 1 59 GLN QB . . 4.780 1.926 1.820 2.212 . 0 0 "[ . 1 . 2]" 2
1362 1 11 TYR QB 1 59 GLN QE . . 4.160 3.241 2.118 4.037 . 0 0 "[ . 1 . 2]" 2
1363 1 11 TYR QD 1 36 ILE QG . . 5.190 4.076 3.897 4.396 . 0 0 "[ . 1 . 2]" 2
1364 1 11 TYR QD 1 48 MET QB . . 3.820 3.280 2.701 3.874 0.054 15 0 "[ . 1 . 2]" 2
1365 1 11 TYR QD 1 59 GLN QB . . 4.650 3.793 3.587 4.065 . 0 0 "[ . 1 . 2]" 2
1366 1 11 TYR QE 1 44 LEU QD . . 3.590 2.407 1.951 2.866 . 0 0 "[ . 1 . 2]" 2
1367 1 12 THR HB 1 19 CYS QB . . 3.930 2.182 1.998 2.525 . 0 0 "[ . 1 . 2]" 2
1368 1 12 THR MG 1 16 CYS QB . . 5.340 4.784 4.246 5.370 0.030 14 0 "[ . 1 . 2]" 2
1369 1 12 THR MG 1 19 CYS QB . . 3.760 2.452 1.926 3.193 . 0 0 "[ . 1 . 2]" 2
1370 1 12 THR MG 1 35 GLU QG . . 3.900 3.241 2.506 3.898 . 0 0 "[ . 1 . 2]" 2
1371 1 13 ARG H 1 13 ARG QG . . 3.660 2.460 1.893 2.871 . 0 0 "[ . 1 . 2]" 2
1372 1 13 ARG H 1 16 CYS QB . . 3.830 3.126 2.542 3.784 . 0 0 "[ . 1 . 2]" 2
1373 1 13 ARG HA 1 13 ARG QD . . 5.120 4.245 3.591 4.567 . 0 0 "[ . 1 . 2]" 2
1374 1 13 ARG QB 1 13 ARG QD . . 3.200 2.097 1.934 2.418 . 0 0 "[ . 1 . 2]" 2
1375 1 13 ARG QB 1 14 PRO QD . . 3.360 1.900 1.860 1.939 . 0 0 "[ . 1 . 2]" 2
1376 1 13 ARG QB 1 39 SER H . . 4.450 2.988 2.386 3.399 . 0 0 "[ . 1 . 2]" 2
1377 1 13 ARG QB 1 39 SER QB . . 3.570 2.154 1.856 2.608 . 0 0 "[ . 1 . 2]" 2
1378 1 13 ARG QG 1 14 PRO QD . . 4.480 3.211 2.403 3.869 . 0 0 "[ . 1 . 2]" 2
1379 1 13 ARG QG 1 16 CYS H . . 4.580 3.575 3.023 3.909 . 0 0 "[ . 1 . 2]" 2
1380 1 13 ARG QG 1 16 CYS HA . . 5.190 4.038 3.751 4.293 . 0 0 "[ . 1 . 2]" 2
1381 1 13 ARG QG 1 16 CYS QB . . 3.660 2.056 1.869 2.484 . 0 0 "[ . 1 . 2]" 2
1382 1 13 ARG QD 1 16 CYS HA . . 4.100 4.075 3.583 4.149 0.049 1 0 "[ . 1 . 2]" 2
1383 1 16 CYS H 1 16 CYS QB . . 3.240 2.691 2.312 3.267 0.027 3 0 "[ . 1 . 2]" 2
1384 1 16 CYS H 1 17 PRO QD . . 4.490 4.026 3.848 4.122 . 0 0 "[ . 1 . 2]" 2
1385 1 16 CYS H 1 19 CYS QB . . 4.100 4.108 3.999 4.183 0.083 5 0 "[ . 1 . 2]" 2
1386 1 16 CYS QB 1 17 PRO QD . . 4.170 3.323 2.772 3.644 . 0 0 "[ . 1 . 2]" 2
1387 1 16 CYS QB 1 19 CYS QB . . 3.780 2.613 1.948 3.634 . 0 0 "[ . 1 . 2]" 2
1388 1 16 CYS QB 1 20 ALA H . . 4.360 4.145 3.583 4.590 0.230 5 0 "[ . 1 . 2]" 2
1389 1 17 PRO QB 1 18 TYR H . . 4.100 2.844 2.777 2.929 . 0 0 "[ . 1 . 2]" 2
1390 1 17 PRO QD 1 18 TYR H . . 3.600 2.691 2.654 2.723 . 0 0 "[ . 1 . 2]" 2
1391 1 18 TYR H 1 18 TYR QB . . 3.300 2.505 2.200 2.630 . 0 0 "[ . 1 . 2]" 2
1392 1 18 TYR H 1 19 CYS QB . . 5.340 4.862 4.682 5.053 . 0 0 "[ . 1 . 2]" 2
1393 1 18 TYR H 1 70 CYS QB . . 5.340 5.401 5.289 5.507 0.167 15 0 "[ . 1 . 2]" 2
1394 1 18 TYR HA 1 70 CYS QB . . 4.370 3.418 3.038 3.667 . 0 0 "[ . 1 . 2]" 2
1395 1 18 TYR QB 1 19 CYS H . . 3.620 2.804 2.667 2.995 . 0 0 "[ . 1 . 2]" 2
1396 1 18 TYR QB 1 58 PRO HD2 . . 3.810 3.374 2.668 3.806 . 0 0 "[ . 1 . 2]" 2
1397 1 18 TYR QB 1 58 PRO HD3 . . 3.750 2.748 2.034 3.210 . 0 0 "[ . 1 . 2]" 2
1398 1 18 TYR QB 1 70 CYS QB . . 3.690 2.665 2.469 2.961 . 0 0 "[ . 1 . 2]" 2
1399 1 18 TYR QD 1 70 CYS QB . . 4.250 3.532 2.383 4.256 0.006 17 0 "[ . 1 . 2]" 2
1400 1 19 CYS H 1 19 CYS QB . . 3.370 2.514 2.343 2.644 . 0 0 "[ . 1 . 2]" 2
1401 1 19 CYS QB 1 20 ALA H . . 3.280 2.370 2.266 2.530 . 0 0 "[ . 1 . 2]" 2
1402 1 19 CYS QB 1 20 ALA HA . . 5.080 3.797 3.758 3.854 . 0 0 "[ . 1 . 2]" 2
1403 1 19 CYS QB 1 20 ALA MB . . 4.310 3.767 3.664 3.844 . 0 0 "[ . 1 . 2]" 2
1404 1 19 CYS QB 1 22 ALA MB . . 5.340 4.165 3.863 4.434 . 0 0 "[ . 1 . 2]" 2
1405 1 19 CYS QB 1 23 LYS H . . 5.280 4.556 4.243 4.721 . 0 0 "[ . 1 . 2]" 2
1406 1 19 CYS QB 1 23 LYS HG2 . . 5.280 4.244 3.822 4.598 . 0 0 "[ . 1 . 2]" 2
1407 1 19 CYS QB 1 23 LYS QD . . 4.430 4.046 3.448 4.460 0.030 15 0 "[ . 1 . 2]" 2
1408 1 19 CYS QB 1 58 PRO HD3 . . 5.180 4.355 4.126 4.839 . 0 0 "[ . 1 . 2]" 2
1409 1 20 ALA H 1 23 LYS QE . . 5.340 5.307 5.034 5.364 0.024 7 0 "[ . 1 . 2]" 2
1410 1 20 ALA HA 1 23 LYS QE . . 4.200 3.309 3.094 3.607 . 0 0 "[ . 1 . 2]" 2
1411 1 20 ALA MB 1 23 LYS QE . . 5.340 4.331 4.035 4.775 . 0 0 "[ . 1 . 2]" 2
1412 1 21 ARG H 1 21 ARG QG . . 3.770 2.867 2.228 3.694 . 0 0 "[ . 1 . 2]" 2
1413 1 21 ARG H 1 21 ARG QD . . 4.420 3.652 2.443 4.306 . 0 0 "[ . 1 . 2]" 2
1414 1 21 ARG HA 1 21 ARG QG . . 2.980 2.529 2.025 2.950 . 0 0 "[ . 1 . 2]" 2
1415 1 21 ARG HA 1 21 ARG QD . . 4.370 2.639 1.988 3.997 . 0 0 "[ . 1 . 2]" 2
1416 1 21 ARG QG 1 74 TYR QE . . 4.250 4.032 3.180 4.274 0.024 8 0 "[ . 1 . 2]" 2
1417 1 21 ARG QD 1 74 TYR QE . . 4.880 3.942 3.217 4.887 0.007 18 0 "[ . 1 . 2]" 2
1418 1 22 ALA H 1 73 LEU QD . . 4.710 4.409 4.075 4.773 0.063 19 0 "[ . 1 . 2]" 2
1419 1 22 ALA HA 1 25 LEU QD . . 4.490 3.588 2.924 4.344 . 0 0 "[ . 1 . 2]" 2
1420 1 22 ALA HA 1 70 CYS QB . . 5.340 4.280 3.788 4.758 . 0 0 "[ . 1 . 2]" 2
1421 1 22 ALA HA 1 73 LEU QD . . 3.330 2.167 1.906 2.652 . 0 0 "[ . 1 . 2]" 2
1422 1 22 ALA MB 1 25 LEU QD . . 5.260 4.386 3.834 4.990 . 0 0 "[ . 1 . 2]" 2
1423 1 22 ALA MB 1 70 CYS QB . . 3.810 2.795 2.463 3.226 . 0 0 "[ . 1 . 2]" 2
1424 1 23 LYS H 1 23 LYS QE . . 4.710 4.327 4.175 4.474 . 0 0 "[ . 1 . 2]" 2
1425 1 23 LYS HA 1 26 LEU QD . . 3.950 3.244 2.365 3.863 . 0 0 "[ . 1 . 2]" 2
1426 1 23 LYS QB 1 23 LYS QE . . 3.360 2.161 2.086 2.418 . 0 0 "[ . 1 . 2]" 2
1427 1 23 LYS QE 1 24 ALA MB . . 5.340 5.234 5.036 5.393 0.053 15 0 "[ . 1 . 2]" 2
1428 1 23 LYS QE 1 33 PHE QE . . 3.870 3.256 2.996 3.949 0.079 20 0 "[ . 1 . 2]" 2
1429 1 23 LYS QE 1 33 PHE HZ . . 4.350 3.731 3.317 4.168 . 0 0 "[ . 1 . 2]" 2
1430 1 24 ALA MB 1 25 LEU QD . . 4.520 4.383 4.065 4.551 0.031 4 0 "[ . 1 . 2]" 2
1431 1 25 LEU H 1 25 LEU QB . . 3.070 2.185 2.039 2.233 . 0 0 "[ . 1 . 2]" 2
1432 1 25 LEU H 1 25 LEU QD . . 3.810 3.638 3.517 3.710 . 0 0 "[ . 1 . 2]" 2
1433 1 25 LEU H 1 73 LEU QD . . 4.550 3.830 3.606 4.221 . 0 0 "[ . 1 . 2]" 2
1434 1 25 LEU HA 1 25 LEU QD . . 3.170 2.141 1.911 2.990 . 0 0 "[ . 1 . 2]" 2
1435 1 25 LEU QB 1 26 LEU H . . 3.930 2.440 2.147 2.670 . 0 0 "[ . 1 . 2]" 2
1436 1 25 LEU QB 1 74 TYR QE . . 3.130 2.631 2.114 3.014 . 0 0 "[ . 1 . 2]" 2
1437 1 25 LEU QD 1 26 LEU H . . 3.970 3.541 2.931 3.995 0.025 19 0 "[ . 1 . 2]" 2
1438 1 25 LEU QD 1 26 LEU HA . . 5.150 3.594 2.783 4.243 . 0 0 "[ . 1 . 2]" 2
1439 1 25 LEU QD 1 28 ARG H . . 4.750 4.289 3.928 4.696 . 0 0 "[ . 1 . 2]" 2
1440 1 25 LEU QD 1 28 ARG QB . . 3.990 3.036 2.719 3.588 . 0 0 "[ . 1 . 2]" 2
1441 1 25 LEU QD 1 28 ARG QD . . 4.430 3.142 2.474 4.417 . 0 0 "[ . 1 . 2]" 2
1442 1 25 LEU QD 1 29 LYS H . . 5.380 4.374 3.521 4.941 . 0 0 "[ . 1 . 2]" 2
1443 1 25 LEU QD 1 73 LEU HA . . 5.440 4.228 3.798 4.758 . 0 0 "[ . 1 . 2]" 2
1444 1 25 LEU QD 1 73 LEU HG . . 4.200 2.838 1.909 4.105 . 0 0 "[ . 1 . 2]" 2
1445 1 25 LEU QD 1 74 TYR H . . 4.920 4.143 3.356 4.756 . 0 0 "[ . 1 . 2]" 2
1446 1 25 LEU QD 1 74 TYR HA . . 3.820 2.950 2.279 3.578 . 0 0 "[ . 1 . 2]" 2
1447 1 25 LEU QD 1 74 TYR QD . . 4.210 2.750 2.063 3.517 . 0 0 "[ . 1 . 2]" 2
1448 1 25 LEU QD 1 74 TYR QE . . 3.400 2.567 2.153 3.297 . 0 0 "[ . 1 . 2]" 2
1449 1 25 LEU QD 1 77 GLU H . . 4.190 3.953 3.736 4.189 . 0 0 "[ . 1 . 2]" 2
1450 1 25 LEU QD 1 77 GLU QB . . 4.090 2.305 1.899 2.764 . 0 0 "[ . 1 . 2]" 2
1451 1 25 LEU QD 1 77 GLU QG . . 3.910 2.267 1.961 3.426 . 0 0 "[ . 1 . 2]" 2
1452 1 25 LEU QD 1 78 ASP H . . 5.440 4.996 4.735 5.333 . 0 0 "[ . 1 . 2]" 2
1453 1 25 LEU QD 1 82 LEU QD . . 3.580 3.002 2.311 3.602 0.022 7 0 "[ . 1 . 2]" 2
1454 1 26 LEU H 1 26 LEU QD . . 3.770 3.396 3.104 3.613 . 0 0 "[ . 1 . 2]" 2
1455 1 26 LEU H 1 73 LEU QD . . 3.920 2.744 2.342 3.474 . 0 0 "[ . 1 . 2]" 2
1456 1 26 LEU HA 1 26 LEU QD . . 3.010 2.182 1.959 2.531 . 0 0 "[ . 1 . 2]" 2
1457 1 26 LEU HA 1 29 LYS QG . . 4.080 3.011 2.427 3.666 . 0 0 "[ . 1 . 2]" 2
1458 1 26 LEU QB 1 27 ALA H . . 3.680 2.744 2.409 2.901 . 0 0 "[ . 1 . 2]" 2
1459 1 26 LEU QB 1 33 PHE QD . . 2.920 2.477 2.099 2.638 . 0 0 "[ . 1 . 2]" 2
1460 1 26 LEU QB 1 33 PHE QE . . 2.870 2.077 1.907 2.482 . 0 0 "[ . 1 . 2]" 2
1461 1 26 LEU QB 1 33 PHE HZ . . 4.580 3.699 3.396 3.971 . 0 0 "[ . 1 . 2]" 2
1462 1 26 LEU QD 1 27 ALA MB . . 5.440 4.761 4.661 4.846 . 0 0 "[ . 1 . 2]" 2
1463 1 26 LEU QD 1 29 LYS H . . 5.440 4.900 4.381 5.232 . 0 0 "[ . 1 . 2]" 2
1464 1 26 LEU QD 1 29 LYS QG . . 3.910 3.511 3.062 3.925 0.015 18 0 "[ . 1 . 2]" 2
1465 1 26 LEU QD 1 29 LYS QE . . 3.930 3.340 1.920 3.939 0.009 13 0 "[ . 1 . 2]" 2
1466 1 26 LEU QD 1 31 ALA H . . 5.020 4.185 3.884 4.556 . 0 0 "[ . 1 . 2]" 2
1467 1 26 LEU QD 1 31 ALA MB . . 3.940 2.161 1.790 2.596 . 0 0 "[ . 1 . 2]" 2
1468 1 26 LEU QD 1 33 PHE QB . . 4.370 3.077 2.723 3.340 . 0 0 "[ . 1 . 2]" 2
1469 1 26 LEU QD 1 33 PHE QD . . 3.240 2.656 2.375 2.877 . 0 0 "[ . 1 . 2]" 2
1470 1 26 LEU QD 1 33 PHE QE . . 3.760 3.201 2.865 3.615 . 0 0 "[ . 1 . 2]" 2
1471 1 26 LEU QD 1 33 PHE HZ . . 4.660 4.278 3.731 4.669 0.009 6 0 "[ . 1 . 2]" 2
1472 1 27 ALA H 1 28 ARG QB . . 4.670 4.242 4.172 4.447 . 0 0 "[ . 1 . 2]" 2
1473 1 28 ARG QB 1 28 ARG QD . . 3.440 2.117 2.012 2.350 . 0 0 "[ . 1 . 2]" 2
1474 1 28 ARG QB 1 29 LYS H . . 3.360 2.489 2.285 2.984 . 0 0 "[ . 1 . 2]" 2
1475 1 28 ARG QB 1 30 GLY H . . 4.960 4.356 4.213 4.596 . 0 0 "[ . 1 . 2]" 2
1476 1 29 LYS H 1 29 LYS QG . . 3.030 2.044 1.887 2.356 . 0 0 "[ . 1 . 2]" 2
1477 1 29 LYS H 1 30 GLY QA . . 5.080 4.418 4.173 4.544 . 0 0 "[ . 1 . 2]" 2
1478 1 29 LYS QB 1 29 LYS QE . . 3.700 2.304 1.964 3.511 . 0 0 "[ . 1 . 2]" 2
1479 1 29 LYS QB 1 30 GLY QA . . 5.340 4.346 4.031 4.500 . 0 0 "[ . 1 . 2]" 2
1480 1 29 LYS QG 1 30 GLY H . . 4.010 2.940 2.383 3.993 . 0 0 "[ . 1 . 2]" 2
1481 1 29 LYS QD 1 86 LEU QD . . 3.770 2.718 1.970 3.786 0.016 18 0 "[ . 1 . 2]" 2
1482 1 29 LYS QE 1 82 LEU QD . . 3.640 2.656 1.919 3.642 0.002 15 0 "[ . 1 . 2]" 2
1483 1 29 LYS QE 1 86 LEU QD . . 3.950 2.566 1.760 3.830 . 0 0 "[ . 1 . 2]" 2
1484 1 31 ALA HA 1 32 GLU QG . . 4.470 4.229 3.929 4.489 0.019 19 0 "[ . 1 . 2]" 2
1485 1 31 ALA HA 1 86 LEU QD . . 3.990 3.528 2.897 3.910 . 0 0 "[ . 1 . 2]" 2
1486 1 31 ALA MB 1 86 LEU QB . . 4.140 3.287 3.096 3.592 . 0 0 "[ . 1 . 2]" 2
1487 1 31 ALA MB 1 86 LEU QD . . 2.710 2.122 1.759 2.346 . 0 0 "[ . 1 . 2]" 2
1488 1 32 GLU QG 1 33 PHE H . . 4.190 3.903 3.451 4.203 0.013 19 0 "[ . 1 . 2]" 2
1489 1 33 PHE QD 1 35 GLU QG . . 5.170 4.641 4.478 5.026 . 0 0 "[ . 1 . 2]" 2
1490 1 33 PHE QE 1 35 GLU QG . . 4.180 3.792 3.431 4.186 0.006 4 0 "[ . 1 . 2]" 2
1491 1 34 ASN HA 1 34 ASN QD . . 4.320 3.894 3.673 4.085 . 0 0 "[ . 1 . 2]" 2
1492 1 34 ASN QD 1 36 ILE QG . . 3.790 3.061 2.027 3.739 . 0 0 "[ . 1 . 2]" 2
1493 1 34 ASN QD 1 36 ILE MD . . 3.940 2.520 1.917 3.146 . 0 0 "[ . 1 . 2]" 2
1494 1 35 GLU H 1 35 GLU QG . . 4.600 4.014 3.940 4.078 . 0 0 "[ . 1 . 2]" 2
1495 1 35 GLU HA 1 35 GLU QG . . 3.490 2.532 2.451 3.052 . 0 0 "[ . 1 . 2]" 2
1496 1 35 GLU HA 1 36 ILE QG . . 4.510 3.668 3.582 3.798 . 0 0 "[ . 1 . 2]" 2
1497 1 35 GLU QG 1 36 ILE H . . 3.870 2.912 2.674 3.394 . 0 0 "[ . 1 . 2]" 2
1498 1 35 GLU QG 1 37 ASP H . . 5.220 4.898 4.596 5.175 . 0 0 "[ . 1 . 2]" 2
1499 1 36 ILE H 1 36 ILE QG . . 4.040 2.794 2.671 2.916 . 0 0 "[ . 1 . 2]" 2
1500 1 36 ILE HA 1 36 ILE QG . . 3.540 2.449 2.395 2.496 . 0 0 "[ . 1 . 2]" 2
1501 1 36 ILE QG 1 37 ASP H . . 4.970 4.043 3.993 4.104 . 0 0 "[ . 1 . 2]" 2
1502 1 37 ASP H 1 37 ASP QB . . 3.000 2.468 2.271 2.846 . 0 0 "[ . 1 . 2]" 2
1503 1 37 ASP QB 1 38 ALA H . . 4.200 2.809 2.721 3.522 . 0 0 "[ . 1 . 2]" 2
1504 1 37 ASP QB 1 40 ALA MB . . 3.960 2.572 1.881 3.122 . 0 0 "[ . 1 . 2]" 2
1505 1 38 ALA HA 1 44 LEU QB . . 3.790 2.339 1.969 2.747 . 0 0 "[ . 1 . 2]" 2
1506 1 38 ALA MB 1 44 LEU QD . . 4.320 3.542 2.590 4.331 0.011 2 0 "[ . 1 . 2]" 2
1507 1 38 ALA MB 1 48 MET QB . . 3.680 2.859 2.376 3.245 . 0 0 "[ . 1 . 2]" 2
1508 1 39 SER H 1 39 SER QB . . 3.390 2.284 2.166 2.625 . 0 0 "[ . 1 . 2]" 2
1509 1 40 ALA H 1 44 LEU QD . . 4.710 4.301 4.103 4.661 . 0 0 "[ . 1 . 2]" 2
1510 1 40 ALA MB 1 44 LEU QD . . 3.240 3.007 2.617 3.265 0.025 2 0 "[ . 1 . 2]" 2
1511 1 41 THR H 1 44 LEU QB . . 3.460 2.978 2.889 3.120 . 0 0 "[ . 1 . 2]" 2
1512 1 41 THR H 1 44 LEU QD . . 3.600 3.354 3.170 3.605 0.005 2 0 "[ . 1 . 2]" 2
1513 1 41 THR H 1 45 ARG QB . . 4.710 3.984 3.686 4.220 . 0 0 "[ . 1 . 2]" 2
1514 1 41 THR HB 1 42 PRO QG . . 4.350 3.586 3.534 3.745 . 0 0 "[ . 1 . 2]" 2
1515 1 41 THR HB 1 42 PRO QD . . 3.380 2.098 2.018 2.303 . 0 0 "[ . 1 . 2]" 2
1516 1 41 THR HB 1 44 LEU QB . . 4.600 3.326 3.017 3.745 . 0 0 "[ . 1 . 2]" 2
1517 1 41 THR MG 1 42 PRO QG . . 4.190 3.777 3.629 3.886 . 0 0 "[ . 1 . 2]" 2
1518 1 42 PRO HA 1 45 ARG QB . . 4.530 2.800 2.458 3.149 . 0 0 "[ . 1 . 2]" 2
1519 1 42 PRO HA 1 45 ARG QD . . 4.670 3.926 3.233 4.527 . 0 0 "[ . 1 . 2]" 2
1520 1 42 PRO QB 1 43 GLU H . . 3.430 3.001 2.968 3.071 . 0 0 "[ . 1 . 2]" 2
1521 1 42 PRO QB 1 46 ALA MB . . 5.330 4.097 3.851 4.399 . 0 0 "[ . 1 . 2]" 2
1522 1 42 PRO QG 1 43 GLU H . . 4.010 2.093 2.055 2.175 . 0 0 "[ . 1 . 2]" 2
1523 1 42 PRO QD 1 43 GLU H . . 3.950 2.631 2.614 2.642 . 0 0 "[ . 1 . 2]" 2
1524 1 43 GLU H 1 43 GLU QB . . 3.190 2.245 2.125 2.542 . 0 0 "[ . 1 . 2]" 2
1525 1 43 GLU H 1 43 GLU QG . . 4.030 3.295 2.069 4.032 0.002 13 0 "[ . 1 . 2]" 2
1526 1 43 GLU HA 1 43 GLU QG . . 2.870 2.362 2.162 2.732 . 0 0 "[ . 1 . 2]" 2
1527 1 43 GLU QB 1 46 ALA MB . . 4.500 4.120 3.778 4.416 . 0 0 "[ . 1 . 2]" 2
1528 1 43 GLU QG 1 44 LEU H . . 4.470 3.954 3.203 4.442 . 0 0 "[ . 1 . 2]" 2
1529 1 44 LEU H 1 44 LEU QB . . 2.960 2.205 2.129 2.291 . 0 0 "[ . 1 . 2]" 2
1530 1 44 LEU HA 1 44 LEU QD . . 3.070 2.030 1.952 2.225 . 0 0 "[ . 1 . 2]" 2
1531 1 44 LEU QB 1 45 ARG H . . 3.200 2.826 2.699 2.942 . 0 0 "[ . 1 . 2]" 2
1532 1 44 LEU QD 1 45 ARG H . . 4.370 4.213 4.128 4.295 . 0 0 "[ . 1 . 2]" 2
1533 1 44 LEU QD 1 47 GLU QB . . 4.830 4.595 4.278 4.833 0.003 4 0 "[ . 1 . 2]" 2
1534 1 44 LEU QD 1 47 GLU HG2 . . 4.560 3.633 3.405 3.878 . 0 0 "[ . 1 . 2]" 2
1535 1 44 LEU QD 1 47 GLU HG3 . . 3.880 3.870 3.711 3.904 0.024 10 0 "[ . 1 . 2]" 2
1536 1 45 ARG H 1 45 ARG QG . . 4.610 3.991 3.935 4.060 . 0 0 "[ . 1 . 2]" 2
1537 1 45 ARG H 1 45 ARG QD . . 5.050 4.493 3.996 4.713 . 0 0 "[ . 1 . 2]" 2
1538 1 45 ARG HA 1 45 ARG QG . . 3.270 2.447 2.292 2.535 . 0 0 "[ . 1 . 2]" 2
1539 1 45 ARG HA 1 45 ARG QD . . 4.240 3.996 3.684 4.223 . 0 0 "[ . 1 . 2]" 2
1540 1 45 ARG HA 1 48 MET QB . . 4.980 2.558 2.241 2.839 . 0 0 "[ . 1 . 2]" 2
1541 1 45 ARG QB 1 45 ARG QD . . 3.260 2.173 2.074 2.384 . 0 0 "[ . 1 . 2]" 2
1542 1 45 ARG QB 1 46 ALA H . . 3.300 2.837 2.454 2.964 . 0 0 "[ . 1 . 2]" 2
1543 1 45 ARG QG 1 46 ALA H . . 4.340 3.968 3.438 4.336 . 0 0 "[ . 1 . 2]" 2
1544 1 45 ARG QG 1 49 GLN QG . . 4.860 3.765 2.686 4.672 . 0 0 "[ . 1 . 2]" 2
1545 1 45 ARG QG 1 49 GLN QE . . 4.340 3.282 1.880 4.341 0.001 15 0 "[ . 1 . 2]" 2
1546 1 46 ALA HA 1 49 GLN QB . . 3.940 3.814 2.966 4.006 0.066 18 0 "[ . 1 . 2]" 2
1547 1 46 ALA HA 1 49 GLN QE . . 4.510 4.016 3.176 4.523 0.013 10 0 "[ . 1 . 2]" 2
1548 1 46 ALA MB 1 49 GLN QE . . 5.340 4.896 4.151 5.335 . 0 0 "[ . 1 . 2]" 2
1549 1 47 GLU HA 1 51 ARG QD . . 5.340 5.039 4.591 5.346 0.006 10 0 "[ . 1 . 2]" 2
1550 1 47 GLU QB 1 51 ARG QD . . 4.770 4.165 3.548 4.583 . 0 0 "[ . 1 . 2]" 2
1551 1 47 GLU HG3 1 51 ARG QD . . 5.190 4.423 3.802 5.192 0.002 10 0 "[ . 1 . 2]" 2
1552 1 48 MET H 1 48 MET QB . . 2.990 2.186 2.054 2.428 . 0 0 "[ . 1 . 2]" 2
1553 1 48 MET QB 1 50 GLU H . . 5.340 4.368 4.228 4.648 . 0 0 "[ . 1 . 2]" 2
1554 1 48 MET QB 1 59 GLN QE . . 4.060 2.836 1.972 3.894 . 0 0 "[ . 1 . 2]" 2
1555 1 48 MET QG 1 59 GLN QG . . 4.470 3.476 1.906 4.646 0.176 13 0 "[ . 1 . 2]" 2
1556 1 48 MET QG 1 59 GLN QE . . 4.090 2.685 1.807 3.958 . 0 0 "[ . 1 . 2]" 2
1557 1 49 GLN H 1 49 GLN QB . . 2.980 2.374 2.261 2.632 . 0 0 "[ . 1 . 2]" 2
1558 1 49 GLN QB 1 49 GLN QE . . 3.680 2.215 1.891 3.544 . 0 0 "[ . 1 . 2]" 2
1559 1 49 GLN QB 1 50 GLU H . . 4.050 3.555 3.023 3.712 . 0 0 "[ . 1 . 2]" 2
1560 1 49 GLN QB 1 52 SER H . . 5.340 4.821 4.601 5.031 . 0 0 "[ . 1 . 2]" 2
1561 1 49 GLN QB 1 53 GLY H . . 4.790 4.226 3.649 4.521 . 0 0 "[ . 1 . 2]" 2
1562 1 49 GLN QE 1 55 ASN QB . . 4.840 4.624 4.223 4.868 0.028 2 0 "[ . 1 . 2]" 2
1563 1 50 GLU HA 1 50 GLU QG . . 3.230 2.691 2.427 3.149 . 0 0 "[ . 1 . 2]" 2
1564 1 50 GLU QG 1 51 ARG H . . 4.180 3.769 3.155 4.154 . 0 0 "[ . 1 . 2]" 2
1565 1 51 ARG H 1 51 ARG QD . . 4.200 3.658 3.170 3.886 . 0 0 "[ . 1 . 2]" 2
1566 1 51 ARG QB 1 51 ARG QD . . 3.120 2.103 2.053 2.130 . 0 0 "[ . 1 . 2]" 2
1567 1 51 ARG QB 1 52 SER QB . . 4.540 3.747 3.653 4.091 . 0 0 "[ . 1 . 2]" 2
1568 1 51 ARG QD 1 61 PHE QD . . 5.340 5.102 4.677 5.309 . 0 0 "[ . 1 . 2]" 2
1569 1 51 ARG QD 1 66 HIS HD1 . . 5.340 3.092 2.473 3.429 . 0 0 "[ . 1 . 2]" 2
1570 1 52 SER QB 1 54 ARG H . . 4.440 2.881 2.172 3.921 . 0 0 "[ . 1 . 2]" 2
1571 1 52 SER QB 1 57 PHE QD . . 3.860 2.559 2.229 3.338 . 0 0 "[ . 1 . 2]" 2
1572 1 52 SER QB 1 66 HIS HE1 . . 4.270 4.264 4.012 4.362 0.092 13 0 "[ . 1 . 2]" 2
1573 1 54 ARG H 1 54 ARG QB . . 3.270 2.690 2.441 2.821 . 0 0 "[ . 1 . 2]" 2
1574 1 54 ARG H 1 54 ARG QG . . 3.280 3.084 2.694 3.291 0.011 2 0 "[ . 1 . 2]" 2
1575 1 54 ARG HA 1 54 ARG QG . . 3.710 2.557 2.260 2.904 . 0 0 "[ . 1 . 2]" 2
1576 1 54 ARG QB 1 56 THR H . . 3.800 3.497 3.273 3.582 . 0 0 "[ . 1 . 2]" 2
1577 1 55 ASN H 1 55 ASN QD . . 4.360 3.059 2.026 4.376 0.016 15 0 "[ . 1 . 2]" 2
1578 1 55 ASN QB 1 55 ASN QD . . 3.090 2.137 2.074 2.467 . 0 0 "[ . 1 . 2]" 2
1579 1 55 ASN QD 1 56 THR H . . 4.020 3.072 1.866 4.024 0.004 10 0 "[ . 1 . 2]" 2
1580 1 57 PHE QD 1 59 GLN QG . . 5.040 4.021 3.284 4.345 . 0 0 "[ . 1 . 2]" 2
1581 1 57 PHE QE 1 59 GLN QG . . 3.940 2.652 2.159 3.978 0.038 16 0 "[ . 1 . 2]" 2
1582 1 57 PHE QE 1 69 GLY QA . . 4.650 2.276 1.969 2.552 . 0 0 "[ . 1 . 2]" 2
1583 1 57 PHE HZ 1 59 GLN QB . . 5.340 4.387 4.004 4.554 . 0 0 "[ . 1 . 2]" 2
1584 1 58 PRO HG2 1 70 CYS QB . . 5.340 3.408 3.185 3.661 . 0 0 "[ . 1 . 2]" 2
1585 1 58 PRO HG3 1 70 CYS QB . . 5.190 2.949 2.621 3.334 . 0 0 "[ . 1 . 2]" 2
1586 1 58 PRO HD2 1 70 CYS QB . . 4.550 4.414 3.891 4.591 0.041 9 0 "[ . 1 . 2]" 2
1587 1 58 PRO HD3 1 70 CYS QB . . 5.340 4.663 4.202 4.963 . 0 0 "[ . 1 . 2]" 2
1588 1 59 GLN HA 1 59 GLN QE . . 4.520 3.447 2.924 4.242 . 0 0 "[ . 1 . 2]" 2
1589 1 59 GLN QB 1 59 GLN QE . . 4.030 2.600 1.991 3.669 . 0 0 "[ . 1 . 2]" 2
1590 1 59 GLN QB 1 60 ILE H . . 4.260 3.255 3.122 3.337 . 0 0 "[ . 1 . 2]" 2
1591 1 59 GLN QB 1 61 PHE QD . . 4.590 3.750 3.560 3.827 . 0 0 "[ . 1 . 2]" 2
1592 1 59 GLN QB 1 61 PHE QE . . 3.500 2.756 2.305 2.937 . 0 0 "[ . 1 . 2]" 2
1593 1 59 GLN QB 1 61 PHE HZ . . 4.210 2.660 2.488 3.169 . 0 0 "[ . 1 . 2]" 2
1594 1 59 GLN QB 1 66 HIS HE1 . . 4.750 4.312 3.748 4.643 . 0 0 "[ . 1 . 2]" 2
1595 1 59 GLN QG 1 60 ILE H . . 5.270 3.782 3.344 4.730 . 0 0 "[ . 1 . 2]" 2
1596 1 59 GLN QG 1 61 PHE QE . . 3.930 2.902 2.286 3.690 . 0 0 "[ . 1 . 2]" 2
1597 1 60 ILE H 1 68 GLY QA . . 5.300 3.505 3.387 3.633 . 0 0 "[ . 1 . 2]" 2
1598 1 60 ILE QG 1 61 PHE H . . 5.340 4.444 4.185 4.831 . 0 0 "[ . 1 . 2]" 2
1599 1 60 ILE MD 1 69 GLY QA . . 4.650 2.477 1.860 3.401 . 0 0 "[ . 1 . 2]" 2
1600 1 61 PHE HA 1 67 VAL QG . . 4.430 3.772 3.555 3.959 . 0 0 "[ . 1 . 2]" 2
1601 1 61 PHE QD 1 66 HIS QB . . 4.610 2.656 2.164 3.124 . 0 0 "[ . 1 . 2]" 2
1602 1 62 ILE H 1 62 ILE QG . . 4.840 2.809 2.758 2.920 . 0 0 "[ . 1 . 2]" 2
1603 1 62 ILE H 1 67 VAL QG . . 3.830 2.918 2.776 3.023 . 0 0 "[ . 1 . 2]" 2
1604 1 62 ILE QG 1 62 ILE MG . . 3.120 2.357 2.349 2.364 . 0 0 "[ . 1 . 2]" 2
1605 1 63 GLY H 1 89 GLY QA . . 4.680 3.926 3.596 4.318 . 0 0 "[ . 1 . 2]" 2
1606 1 64 SER H 1 65 VAL QG . . 4.080 3.012 2.875 3.162 . 0 0 "[ . 1 . 2]" 2
1607 1 64 SER H 1 89 GLY QA . . 4.880 3.864 3.554 4.128 . 0 0 "[ . 1 . 2]" 2
1608 1 65 VAL H 1 65 VAL QG . . 2.930 2.622 2.549 2.688 . 0 0 "[ . 1 . 2]" 2
1609 1 65 VAL HA 1 65 VAL QG . . 2.870 2.059 2.037 2.083 . 0 0 "[ . 1 . 2]" 2
1610 1 65 VAL HA 1 66 HIS QB . . 4.140 4.037 4.023 4.047 . 0 0 "[ . 1 . 2]" 2
1611 1 65 VAL QG 1 66 HIS H . . 3.140 2.039 1.924 2.099 . 0 0 "[ . 1 . 2]" 2
1612 1 65 VAL QG 1 66 HIS HA . . 4.520 3.849 3.809 3.901 . 0 0 "[ . 1 . 2]" 2
1613 1 65 VAL QG 1 66 HIS QB . . 4.220 3.605 3.564 3.656 . 0 0 "[ . 1 . 2]" 2
1614 1 65 VAL QG 1 90 LYS H . . 4.960 4.616 4.160 4.891 . 0 0 "[ . 1 . 2]" 2
1615 1 65 VAL QG 1 90 LYS HA . . 3.270 2.314 1.944 2.672 . 0 0 "[ . 1 . 2]" 2
1616 1 65 VAL QG 1 90 LYS QB . . 4.950 3.095 1.753 3.752 . 0 0 "[ . 1 . 2]" 2
1617 1 65 VAL QG 1 91 LEU H . . 3.400 2.671 2.014 3.123 . 0 0 "[ . 1 . 2]" 2
1618 1 65 VAL QG 1 91 LEU HG . . 4.700 3.502 2.261 4.550 . 0 0 "[ . 1 . 2]" 2
1619 1 66 HIS HA 1 67 VAL QG . . 4.820 3.888 3.816 3.934 . 0 0 "[ . 1 . 2]" 2
1620 1 66 HIS QB 1 66 HIS HD1 . . 3.200 2.491 2.464 2.514 . 0 0 "[ . 1 . 2]" 2
1621 1 67 VAL H 1 67 VAL QG . . 3.670 2.248 2.177 2.303 . 0 0 "[ . 1 . 2]" 2
1622 1 67 VAL HA 1 67 VAL QG . . 2.810 2.049 2.036 2.060 . 0 0 "[ . 1 . 2]" 2
1623 1 67 VAL QG 1 68 GLY H . . 3.520 2.445 2.337 2.611 . 0 0 "[ . 1 . 2]" 2
1624 1 67 VAL QG 1 69 GLY H . . 4.410 3.631 3.361 3.856 . 0 0 "[ . 1 . 2]" 2
1625 1 67 VAL QG 1 72 ASP H . . 5.260 4.511 4.221 4.900 . 0 0 "[ . 1 . 2]" 2
1626 1 67 VAL QG 1 72 ASP QB . . 3.840 2.030 1.818 2.503 . 0 0 "[ . 1 . 2]" 2
1627 1 67 VAL QG 1 73 LEU H . . 3.720 3.581 3.441 3.737 0.017 4 0 "[ . 1 . 2]" 2
1628 1 67 VAL QG 1 73 LEU HA . . 3.430 3.340 2.911 3.463 0.033 9 0 "[ . 1 . 2]" 2
1629 1 67 VAL QG 1 73 LEU QB . . 4.360 3.771 3.363 4.088 . 0 0 "[ . 1 . 2]" 2
1630 1 67 VAL QG 1 76 LEU H . . 5.440 4.936 4.797 5.046 . 0 0 "[ . 1 . 2]" 2
1631 1 68 GLY QA 1 69 GLY H . . 2.850 2.128 2.112 2.154 . 0 0 "[ . 1 . 2]" 2
1632 1 68 GLY QA 1 72 ASP QB . . 3.480 2.538 2.140 2.814 . 0 0 "[ . 1 . 2]" 2
1633 1 69 GLY QA 1 72 ASP H . . 4.200 3.853 3.807 3.938 . 0 0 "[ . 1 . 2]" 2
1634 1 70 CYS H 1 70 CYS QB . . 3.500 2.311 2.210 2.565 . 0 0 "[ . 1 . 2]" 2
1635 1 70 CYS HA 1 73 LEU QB . . 4.190 2.773 2.615 2.903 . 0 0 "[ . 1 . 2]" 2
1636 1 70 CYS HA 1 73 LEU QD . . 4.290 3.510 3.220 4.200 . 0 0 "[ . 1 . 2]" 2
1637 1 71 ASP QB 1 72 ASP H . . 4.180 2.413 2.365 2.539 . 0 0 "[ . 1 . 2]" 2
1638 1 72 ASP H 1 73 LEU QB . . 4.610 4.384 4.246 4.454 . 0 0 "[ . 1 . 2]" 2
1639 1 72 ASP H 1 76 LEU QD . . 5.440 5.330 5.152 5.441 0.001 17 0 "[ . 1 . 2]" 2
1640 1 72 ASP QB 1 73 LEU QB . . 3.920 3.798 3.711 3.969 0.049 19 0 "[ . 1 . 2]" 2
1641 1 72 ASP QB 1 76 LEU QD . . 3.360 3.290 3.119 3.371 0.011 6 0 "[ . 1 . 2]" 2
1642 1 73 LEU H 1 73 LEU QD . . 4.420 3.505 3.247 3.749 . 0 0 "[ . 1 . 2]" 2
1643 1 73 LEU HA 1 73 LEU QD . . 3.000 2.138 1.904 2.689 . 0 0 "[ . 1 . 2]" 2
1644 1 73 LEU QB 1 74 TYR H . . 3.490 2.528 2.339 2.668 . 0 0 "[ . 1 . 2]" 2
1645 1 73 LEU QB 1 74 TYR QD . . 4.290 2.471 2.188 2.977 . 0 0 "[ . 1 . 2]" 2
1646 1 73 LEU QD 1 74 TYR H . . 4.550 3.847 3.052 4.110 . 0 0 "[ . 1 . 2]" 2
1647 1 73 LEU QD 1 74 TYR QD . . 4.420 3.272 1.958 3.601 . 0 0 "[ . 1 . 2]" 2
1648 1 73 LEU QD 1 74 TYR QE . . 3.840 3.595 3.017 3.884 0.044 19 0 "[ . 1 . 2]" 2
1649 1 74 TYR HA 1 77 GLU QG . . 4.310 2.468 2.005 4.341 0.031 15 0 "[ . 1 . 2]" 2
1650 1 75 ALA H 1 76 LEU QD . . 4.570 3.756 3.701 3.857 . 0 0 "[ . 1 . 2]" 2
1651 1 75 ALA MB 1 76 LEU QD . . 3.880 2.536 2.377 2.611 . 0 0 "[ . 1 . 2]" 2
1652 1 76 LEU H 1 76 LEU QD . . 3.550 2.323 2.304 2.375 . 0 0 "[ . 1 . 2]" 2
1653 1 76 LEU H 1 77 GLU QG . . 5.340 4.313 4.041 5.485 0.145 19 0 "[ . 1 . 2]" 2
1654 1 76 LEU HA 1 76 LEU QD . . 3.050 1.895 1.879 1.908 . 0 0 "[ . 1 . 2]" 2
1655 1 76 LEU HB3 1 76 LEU QD . . 2.960 2.073 1.957 2.146 . 0 0 "[ . 1 . 2]" 2
1656 1 76 LEU QD 1 79 GLU HB2 . . 4.920 3.872 3.527 4.154 . 0 0 "[ . 1 . 2]" 2
1657 1 76 LEU QD 1 80 GLY H . . 5.440 4.907 4.760 5.240 . 0 0 "[ . 1 . 2]" 2
1658 1 76 LEU QD 1 81 LYS H . . 4.040 3.700 3.519 3.923 . 0 0 "[ . 1 . 2]" 2
1659 1 76 LEU QD 1 81 LYS HA . . 4.980 4.565 4.168 4.910 . 0 0 "[ . 1 . 2]" 2
1660 1 76 LEU QD 1 81 LYS HB2 . . 3.040 2.218 1.882 2.561 . 0 0 "[ . 1 . 2]" 2
1661 1 76 LEU QD 1 81 LYS HB3 . . 3.650 3.323 2.752 3.681 0.031 11 0 "[ . 1 . 2]" 2
1662 1 76 LEU QD 1 81 LYS QE . . 5.440 4.874 3.547 5.343 . 0 0 "[ . 1 . 2]" 2
1663 1 76 LEU QD 1 82 LEU H . . 3.870 3.321 3.012 3.721 . 0 0 "[ . 1 . 2]" 2
1664 1 77 GLU H 1 77 GLU QG . . 4.080 2.750 2.554 3.657 . 0 0 "[ . 1 . 2]" 2
1665 1 77 GLU HA 1 82 LEU QB . . 5.340 3.057 2.390 3.490 . 0 0 "[ . 1 . 2]" 2
1666 1 77 GLU QG 1 78 ASP H . . 4.520 2.364 2.051 4.398 . 0 0 "[ . 1 . 2]" 2
1667 1 77 GLU QG 1 78 ASP HA . . 5.180 3.667 2.888 5.340 0.160 19 0 "[ . 1 . 2]" 2
1668 1 80 GLY H 1 82 LEU QB . . 5.340 4.725 4.434 5.137 . 0 0 "[ . 1 . 2]" 2
1669 1 81 LYS H 1 82 LEU QB . . 5.030 3.976 3.722 4.471 . 0 0 "[ . 1 . 2]" 2
1670 1 82 LEU H 1 82 LEU QB . . 2.980 2.171 2.024 2.493 . 0 0 "[ . 1 . 2]" 2
1671 1 82 LEU HA 1 85 LEU QD . . 4.420 2.749 2.046 3.466 . 0 0 "[ . 1 . 2]" 2
1672 1 82 LEU QB 1 83 ASP H . . 3.320 2.615 2.386 2.817 . 0 0 "[ . 1 . 2]" 2
1673 1 82 LEU QB 1 85 LEU H . . 5.260 4.632 4.486 4.852 . 0 0 "[ . 1 . 2]" 2
1674 1 82 LEU QB 1 86 LEU H . . 5.340 4.814 4.400 5.243 . 0 0 "[ . 1 . 2]" 2
1675 1 83 ASP H 1 86 LEU QD . . 5.350 3.822 3.558 4.154 . 0 0 "[ . 1 . 2]" 2
1676 1 83 ASP HA 1 86 LEU QD . . 3.200 2.171 1.970 2.727 . 0 0 "[ . 1 . 2]" 2
1677 1 84 SER H 1 86 LEU QD . . 5.440 4.478 4.198 4.802 . 0 0 "[ . 1 . 2]" 2
1678 1 84 SER H 1 87 LYS QB . . 5.340 4.529 4.358 5.065 . 0 0 "[ . 1 . 2]" 2
1679 1 84 SER HA 1 87 LYS QB . . 3.420 2.249 2.062 2.706 . 0 0 "[ . 1 . 2]" 2
1680 1 84 SER QB 1 87 LYS QB . . 5.180 4.039 3.812 4.313 . 0 0 "[ . 1 . 2]" 2
1681 1 85 LEU H 1 85 LEU QD . . 3.520 2.636 2.223 3.505 . 0 0 "[ . 1 . 2]" 2
1682 1 85 LEU HA 1 85 LEU QD . . 3.000 2.009 1.911 2.144 . 0 0 "[ . 1 . 2]" 2
1683 1 85 LEU QD 1 86 LEU H . . 4.650 3.971 3.888 4.151 . 0 0 "[ . 1 . 2]" 2
1684 1 85 LEU QD 1 89 GLY H . . 4.420 3.991 3.606 4.425 0.005 13 0 "[ . 1 . 2]" 2
1685 1 85 LEU QD 1 90 LYS H . . 3.550 3.203 2.661 3.617 0.067 13 0 "[ . 1 . 2]" 2
1686 1 85 LEU QD 1 90 LYS HA . . 4.290 3.418 2.744 4.317 0.027 13 0 "[ . 1 . 2]" 2
1687 1 85 LEU QD 1 91 LEU H . . 3.930 3.411 2.870 3.750 . 0 0 "[ . 1 . 2]" 2
1688 1 85 LEU QD 1 91 LEU HA . . 4.450 2.119 1.891 2.660 . 0 0 "[ . 1 . 2]" 2
1689 1 85 LEU QD 1 91 LEU QB . . 3.980 2.788 1.775 3.912 . 0 0 "[ . 1 . 2]" 2
1690 1 85 LEU QD 1 91 LEU HG . . 4.980 3.657 2.029 4.697 . 0 0 "[ . 1 . 2]" 2
1691 1 85 LEU QD 1 92 ILE H . . 4.810 3.276 2.144 4.174 . 0 0 "[ . 1 . 2]" 2
1692 1 86 LEU H 1 86 LEU QB . . 2.920 2.659 2.626 2.718 . 0 0 "[ . 1 . 2]" 2
1693 1 86 LEU H 1 86 LEU QD . . 3.610 2.893 2.415 2.961 . 0 0 "[ . 1 . 2]" 2
1694 1 86 LEU H 1 87 LYS QB . . 4.560 4.127 4.079 4.222 . 0 0 "[ . 1 . 2]" 2
1695 1 86 LEU HA 1 86 LEU QD . . 3.500 3.326 2.130 3.430 . 0 0 "[ . 1 . 2]" 2
1696 1 86 LEU QB 1 86 LEU QD . . 2.620 1.821 1.745 1.954 . 0 0 "[ . 1 . 2]" 2
1697 1 87 LYS H 1 87 LYS QB . . 2.770 2.177 2.126 2.269 . 0 0 "[ . 1 . 2]" 2
1698 1 87 LYS H 1 87 LYS QG . . 4.190 3.308 2.999 4.068 . 0 0 "[ . 1 . 2]" 2
1699 1 87 LYS HA 1 87 LYS QG . . 3.700 2.227 2.065 2.485 . 0 0 "[ . 1 . 2]" 2
1700 1 87 LYS QB 1 88 THR H . . 3.560 2.566 2.408 2.914 . 0 0 "[ . 1 . 2]" 2
1701 1 87 LYS QB 1 88 THR MG . . 3.730 2.782 2.522 3.647 . 0 0 "[ . 1 . 2]" 2
1702 1 87 LYS QG 1 88 THR H . . 4.690 4.272 3.956 4.520 . 0 0 "[ . 1 . 2]" 2
1703 1 88 THR H 1 89 GLY QA . . 4.370 4.192 4.123 4.211 . 0 0 "[ . 1 . 2]" 2
1704 1 89 GLY QA 1 90 LYS QG . . 5.340 4.234 3.774 4.666 . 0 0 "[ . 1 . 2]" 2
1705 1 89 GLY QA 1 90 LYS QE . . 5.340 4.417 2.435 5.320 . 0 0 "[ . 1 . 2]" 2
1706 1 90 LYS H 1 90 LYS QB . . 3.470 2.987 2.683 3.315 . 0 0 "[ . 1 . 2]" 2
1707 1 90 LYS QB 1 91 LEU H . . 2.950 2.460 2.036 2.852 . 0 0 "[ . 1 . 2]" 2
1708 1 91 LEU H 1 91 LEU QB . . 2.940 2.450 2.089 2.944 0.004 15 0 "[ . 1 . 2]" 2
1709 1 91 LEU QB 1 92 ILE H . . 3.780 3.252 2.874 3.808 0.028 8 0 "[ . 1 . 2]" 2
1710 1 92 ILE QG 1 92 ILE MG . . 2.930 2.166 1.941 2.326 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 863
_Distance_constraint_stats_list.Viol_total 3332.864
_Distance_constraint_stats_list.Viol_max 0.364
_Distance_constraint_stats_list.Viol_rms 0.0877
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1894
_Distance_constraint_stats_list.Viol_average_violations_only 0.1931
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ILE 13.154 0.305 19 0 "[ . 1 . 2]"
1 10 ILE 15.641 0.296 18 0 "[ . 1 . 2]"
1 11 TYR 16.542 0.330 1 0 "[ . 1 . 2]"
1 12 THR 10.332 0.308 5 0 "[ . 1 . 2]"
1 19 CYS 8.610 0.350 7 0 "[ . 1 . 2]"
1 20 ALA 7.529 0.308 15 0 "[ . 1 . 2]"
1 21 ARG 8.109 0.275 7 0 "[ . 1 . 2]"
1 22 ALA 9.424 0.303 17 0 "[ . 1 . 2]"
1 23 LYS 15.862 0.350 7 0 "[ . 1 . 2]"
1 24 ALA 7.529 0.308 15 0 "[ . 1 . 2]"
1 25 LEU 8.109 0.275 7 0 "[ . 1 . 2]"
1 26 LEU 9.424 0.303 17 0 "[ . 1 . 2]"
1 27 ALA 7.252 0.278 18 0 "[ . 1 . 2]"
1 34 ASN 6.369 0.276 5 0 "[ . 1 . 2]"
1 36 ILE 19.605 0.308 5 0 "[ . 1 . 2]"
1 59 GLN 16.542 0.330 1 0 "[ . 1 . 2]"
1 60 ILE 13.502 0.323 9 0 "[ . 1 . 2]"
1 61 PHE 13.154 0.305 19 0 "[ . 1 . 2]"
1 62 ILE 22.570 0.335 19 0 "[ . 1 . 2]"
1 65 VAL 22.570 0.335 19 0 "[ . 1 . 2]"
1 67 VAL 7.657 0.323 9 0 "[ . 1 . 2]"
1 68 GLY 5.845 0.287 16 0 "[ . 1 . 2]"
1 69 GLY 1.782 0.162 20 0 "[ . 1 . 2]"
1 70 CYS 4.475 0.324 15 0 "[ . 1 . 2]"
1 71 ASP 6.640 0.229 5 0 "[ . 1 . 2]"
1 72 ASP 4.247 0.212 9 0 "[ . 1 . 2]"
1 73 LEU 10.759 0.308 6 0 "[ . 1 . 2]"
1 74 TYR 4.475 0.324 15 0 "[ . 1 . 2]"
1 75 ALA 6.640 0.229 5 0 "[ . 1 . 2]"
1 76 LEU 4.247 0.212 9 0 "[ . 1 . 2]"
1 77 GLU 8.977 0.308 6 0 "[ . 1 . 2]"
1 82 LEU 7.855 0.364 20 0 "[ . 1 . 2]"
1 86 LEU 7.855 0.364 20 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 9 ILE H 1 61 PHE O . . 1.800 2.016 1.941 2.039 0.239 18 0 "[ . 1 . 2]" 3
2 1 9 ILE N 1 61 PHE O . . 2.700 2.943 2.801 3.005 0.305 19 0 "[ . 1 . 2]" 3
3 1 10 ILE H 1 34 ASN O . . 1.800 1.925 1.799 2.003 0.203 5 0 "[ . 1 . 2]" 3
4 1 10 ILE N 1 34 ASN O . . 2.700 2.893 2.773 2.976 0.276 5 0 "[ . 1 . 2]" 3
5 1 11 TYR H 1 59 GLN O . . 1.800 1.943 1.793 2.053 0.253 7 0 "[ . 1 . 2]" 3
6 1 11 TYR N 1 59 GLN O . . 2.700 2.894 2.749 2.999 0.299 11 0 "[ . 1 . 2]" 3
7 1 12 THR H 1 36 ILE O . . 1.800 2.030 1.998 2.063 0.263 19 0 "[ . 1 . 2]" 3
8 1 12 THR N 1 36 ILE O . . 2.700 2.986 2.957 3.008 0.308 5 0 "[ . 1 . 2]" 3
9 1 19 CYS O 1 23 LYS H . . 1.800 1.980 1.802 2.074 0.274 7 0 "[ . 1 . 2]" 3
10 1 19 CYS O 1 23 LYS N . . 2.700 2.950 2.765 3.050 0.350 7 0 "[ . 1 . 2]" 3
11 1 20 ALA O 1 24 ALA H . . 1.800 1.960 1.799 2.039 0.239 9 0 "[ . 1 . 2]" 3
12 1 20 ALA O 1 24 ALA N . . 2.700 2.917 2.754 3.008 0.308 15 0 "[ . 1 . 2]" 3
13 1 21 ARG O 1 25 LEU H . . 1.800 2.005 1.891 2.043 0.243 14 0 "[ . 1 . 2]" 3
14 1 21 ARG O 1 25 LEU N . . 2.700 2.900 2.817 2.975 0.275 7 0 "[ . 1 . 2]" 3
15 1 22 ALA O 1 26 LEU H . . 1.800 2.014 1.960 2.040 0.240 7 0 "[ . 1 . 2]" 3
16 1 22 ALA O 1 26 LEU N . . 2.700 2.957 2.848 3.003 0.303 17 0 "[ . 1 . 2]" 3
17 1 23 LYS O 1 27 ALA H . . 1.800 1.979 1.850 2.029 0.229 4 0 "[ . 1 . 2]" 3
18 1 23 LYS O 1 27 ALA N . . 2.700 2.884 2.739 2.978 0.278 18 0 "[ . 1 . 2]" 3
19 1 10 ILE O 1 36 ILE H . . 1.800 2.021 1.998 2.060 0.260 18 0 "[ . 1 . 2]" 3
20 1 10 ILE O 1 36 ILE N . . 2.700 2.942 2.906 2.996 0.296 18 0 "[ . 1 . 2]" 3
21 1 11 TYR O 1 59 GLN H . . 1.800 2.018 1.874 2.064 0.264 1 0 "[ . 1 . 2]" 3
22 1 11 TYR O 1 59 GLN N . . 2.700 2.972 2.835 3.030 0.330 1 0 "[ . 1 . 2]" 3
23 1 60 ILE H 1 68 GLY O . . 1.800 2.023 1.955 2.087 0.287 16 0 "[ . 1 . 2]" 3
24 1 60 ILE N 1 68 GLY O . . 2.700 2.769 2.716 2.849 0.149 16 0 "[ . 1 . 2]" 3
25 1 9 ILE O 1 61 PHE H . . 1.800 1.891 1.804 1.977 0.177 2 0 "[ . 1 . 2]" 3
26 1 9 ILE O 1 61 PHE N . . 2.700 2.808 2.728 2.888 0.188 6 0 "[ . 1 . 2]" 3
27 1 62 ILE H 1 65 VAL O . . 1.800 2.095 2.067 2.135 0.335 19 0 "[ . 1 . 2]" 3
28 1 62 ILE N 1 65 VAL O . . 2.700 2.950 2.866 3.001 0.301 7 0 "[ . 1 . 2]" 3
29 1 62 ILE O 1 65 VAL H . . 1.800 2.066 2.054 2.074 0.274 18 0 "[ . 1 . 2]" 3
30 1 62 ILE O 1 65 VAL N . . 2.700 3.017 3.006 3.029 0.329 18 0 "[ . 1 . 2]" 3
31 1 60 ILE O 1 67 VAL H . . 1.800 2.103 2.079 2.123 0.323 9 0 "[ . 1 . 2]" 3
32 1 60 ILE O 1 67 VAL N . . 2.700 2.779 2.741 2.844 0.144 14 0 "[ . 1 . 2]" 3
33 1 69 GLY O 1 73 LEU H . . 1.800 1.814 1.781 1.893 0.093 17 0 "[ . 1 . 2]" 3
34 1 69 GLY O 1 73 LEU N . . 2.700 2.771 2.716 2.862 0.162 20 0 "[ . 1 . 2]" 3
35 1 70 CYS O 1 74 TYR H . . 1.800 1.905 1.795 2.090 0.290 15 0 "[ . 1 . 2]" 3
36 1 70 CYS O 1 74 TYR N . . 2.700 2.818 2.739 3.024 0.324 15 0 "[ . 1 . 2]" 3
37 1 71 ASP O 1 75 ALA H . . 1.800 2.002 1.880 2.029 0.229 5 0 "[ . 1 . 2]" 3
38 1 71 ASP O 1 75 ALA N . . 2.700 2.830 2.749 2.911 0.211 11 0 "[ . 1 . 2]" 3
39 1 72 ASP O 1 76 LEU H . . 1.800 1.936 1.881 2.012 0.212 9 0 "[ . 1 . 2]" 3
40 1 72 ASP O 1 76 LEU N . . 2.700 2.777 2.739 2.842 0.142 9 0 "[ . 1 . 2]" 3
41 1 73 LEU O 1 77 GLU H . . 1.800 1.999 1.928 2.079 0.279 19 0 "[ . 1 . 2]" 3
42 1 73 LEU O 1 77 GLU N . . 2.700 2.950 2.871 3.008 0.308 6 0 "[ . 1 . 2]" 3
43 1 82 LEU O 1 86 LEU H . . 1.800 1.986 1.820 2.164 0.364 20 0 "[ . 1 . 2]" 3
44 1 82 LEU O 1 86 LEU N . . 2.700 2.907 2.748 3.008 0.308 20 0 "[ . 1 . 2]" 3
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