NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637569 |
6h8c   |
34307 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6h8c
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 2553
_Distance_constraint_stats_list.Viol_count 2820
_Distance_constraint_stats_list.Viol_total 2665.623
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.325 0.089 4 0 "[ . 1 . 2]"
1 2 GLY 0.371 0.089 4 0 "[ . 1 . 2]"
1 3 TRP 5.344 0.079 19 0 "[ . 1 . 2]"
1 4 MET 1.793 0.073 8 0 "[ . 1 . 2]"
1 5 PHE 0.038 0.038 16 0 "[ . 1 . 2]"
1 6 LYS 0.488 0.079 19 0 "[ . 1 . 2]"
1 7 GLU 0.877 0.072 14 0 "[ . 1 . 2]"
1 8 ASP 2.105 0.079 10 0 "[ . 1 . 2]"
1 9 HIS 1.204 0.073 1 0 "[ . 1 . 2]"
1 10 SER 0.656 0.068 9 0 "[ . 1 . 2]"
1 11 LEU 0.366 0.057 9 0 "[ . 1 . 2]"
1 12 GLU 1.055 0.068 9 0 "[ . 1 . 2]"
1 13 HIS 0.359 0.064 15 0 "[ . 1 . 2]"
1 14 ARG 3.345 0.081 6 0 "[ . 1 . 2]"
1 15 CYS 0.127 0.033 11 0 "[ . 1 . 2]"
1 16 VAL 0.691 0.067 4 0 "[ . 1 . 2]"
1 17 GLU 0.465 0.072 17 0 "[ . 1 . 2]"
1 18 SER 0.277 0.074 17 0 "[ . 1 . 2]"
1 19 ALA 0.752 0.067 4 0 "[ . 1 . 2]"
1 20 LYS 1.834 0.096 6 0 "[ . 1 . 2]"
1 21 ILE 1.638 0.067 11 0 "[ . 1 . 2]"
1 22 ARG 2.356 0.071 17 0 "[ . 1 . 2]"
1 23 ALA 1.014 0.065 14 0 "[ . 1 . 2]"
1 24 LYS 2.292 0.088 10 0 "[ . 1 . 2]"
1 25 TYR 2.902 0.093 15 0 "[ . 1 . 2]"
1 26 PRO 1.563 0.071 6 0 "[ . 1 . 2]"
1 27 ASP 0.248 0.056 17 0 "[ . 1 . 2]"
1 28 ARG 3.191 0.071 6 0 "[ . 1 . 2]"
1 29 VAL 1.240 0.069 11 0 "[ . 1 . 2]"
1 30 PRO 0.449 0.066 4 0 "[ . 1 . 2]"
1 31 VAL 2.606 0.068 16 0 "[ . 1 . 2]"
1 32 ILE 1.399 0.090 20 0 "[ . 1 . 2]"
1 33 VAL 1.024 0.072 16 0 "[ . 1 . 2]"
1 34 GLU 1.976 0.074 18 0 "[ . 1 . 2]"
1 35 LYS 1.445 0.074 11 0 "[ . 1 . 2]"
1 36 VAL 1.213 0.066 14 0 "[ . 1 . 2]"
1 37 SER 0.595 0.057 5 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.827 0.074 11 0 "[ . 1 . 2]"
1 40 GLN 0.642 0.080 10 0 "[ . 1 . 2]"
1 41 ILE 3.165 0.080 10 0 "[ . 1 . 2]"
1 42 VAL 2.034 0.080 2 0 "[ . 1 . 2]"
1 43 ASP 0.912 0.075 14 0 "[ . 1 . 2]"
1 44 ILE 0.432 0.068 17 0 "[ . 1 . 2]"
1 45 ASP 1.176 0.066 5 0 "[ . 1 . 2]"
1 46 LYS 4.129 0.074 18 0 "[ . 1 . 2]"
1 47 ARG 3.825 0.079 7 0 "[ . 1 . 2]"
1 48 LYS 5.663 0.079 2 0 "[ . 1 . 2]"
1 49 TYR 2.031 0.081 9 0 "[ . 1 . 2]"
1 50 LEU 2.080 0.068 16 0 "[ . 1 . 2]"
1 51 VAL 3.756 0.074 14 0 "[ . 1 . 2]"
1 52 PRO 4.224 0.074 10 0 "[ . 1 . 2]"
1 53 SER 1.988 0.068 14 0 "[ . 1 . 2]"
1 54 ASP 1.464 0.067 17 0 "[ . 1 . 2]"
1 55 ILE 4.945 0.089 3 0 "[ . 1 . 2]"
1 56 THR 1.135 0.049 5 0 "[ . 1 . 2]"
1 57 VAL 3.758 0.069 15 0 "[ . 1 . 2]"
1 58 ALA 0.560 0.059 16 0 "[ . 1 . 2]"
1 59 GLN 1.285 0.069 1 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 MET 3.230 0.083 14 0 "[ . 1 . 2]"
1 62 TRP 2.424 0.067 20 0 "[ . 1 . 2]"
1 63 ILE 0.866 0.061 14 0 "[ . 1 . 2]"
1 64 ILE 0.372 0.053 9 0 "[ . 1 . 2]"
1 65 ARG 6.655 0.087 11 0 "[ . 1 . 2]"
1 66 LYS 2.090 0.069 5 0 "[ . 1 . 2]"
1 67 ARG 2.980 0.068 17 0 "[ . 1 . 2]"
1 68 ILE 3.291 0.080 2 0 "[ . 1 . 2]"
1 69 GLN 1.000 0.074 7 0 "[ . 1 . 2]"
1 70 LEU 4.662 0.071 19 0 "[ . 1 . 2]"
1 71 PRO 4.134 0.072 8 0 "[ . 1 . 2]"
1 72 SER 0.101 0.064 14 0 "[ . 1 . 2]"
1 73 GLU 2.693 0.072 8 0 "[ . 1 . 2]"
1 74 LYS 4.143 0.067 15 0 "[ . 1 . 2]"
1 75 ALA 1.040 0.067 6 0 "[ . 1 . 2]"
1 76 ILE 6.888 0.087 11 0 "[ . 1 . 2]"
1 77 PHE 2.659 0.083 14 0 "[ . 1 . 2]"
1 78 LEU 2.596 0.072 14 0 "[ . 1 . 2]"
1 79 PHE 2.057 0.072 14 0 "[ . 1 . 2]"
1 80 VAL 4.342 0.089 4 0 "[ . 1 . 2]"
1 81 ASP 1.072 0.082 8 0 "[ . 1 . 2]"
1 82 LYS 1.500 0.082 8 0 "[ . 1 . 2]"
1 83 THR 3.318 0.089 4 0 "[ . 1 . 2]"
1 84 VAL 0.871 0.060 13 0 "[ . 1 . 2]"
1 85 PRO 3.302 0.066 14 0 "[ . 1 . 2]"
1 86 GLN 4.326 0.076 17 0 "[ . 1 . 2]"
1 87 SER 1.077 0.076 17 0 "[ . 1 . 2]"
1 88 SER 0.739 0.069 20 0 "[ . 1 . 2]"
1 89 LEU 4.102 0.078 9 0 "[ . 1 . 2]"
1 90 THR 3.535 0.078 2 0 "[ . 1 . 2]"
1 91 MET 5.100 0.069 11 0 "[ . 1 . 2]"
1 92 GLY 1.032 0.068 14 0 "[ . 1 . 2]"
1 93 GLN 4.024 0.078 2 0 "[ . 1 . 2]"
1 94 LEU 3.022 0.067 4 0 "[ . 1 . 2]"
1 95 TYR 3.929 0.079 17 0 "[ . 1 . 2]"
1 96 GLU 2.290 0.085 12 0 "[ . 1 . 2]"
1 97 LYS 2.772 0.065 14 0 "[ . 1 . 2]"
1 98 GLU 3.516 0.080 11 0 "[ . 1 . 2]"
1 99 LYS 1.071 0.085 12 0 "[ . 1 . 2]"
1 100 ASP 0.828 0.064 6 0 "[ . 1 . 2]"
1 101 GLU 0.488 0.073 16 0 "[ . 1 . 2]"
1 102 ASP 0.288 0.061 13 0 "[ . 1 . 2]"
1 103 GLY 0.053 0.053 14 0 "[ . 1 . 2]"
1 104 PHE 1.014 0.074 17 0 "[ . 1 . 2]"
1 105 LEU 2.110 0.069 3 0 "[ . 1 . 2]"
1 106 TYR 0.977 0.069 4 0 "[ . 1 . 2]"
1 107 VAL 1.622 0.073 1 0 "[ . 1 . 2]"
1 108 ALA 1.787 0.067 6 0 "[ . 1 . 2]"
1 109 TYR 0.577 0.072 16 0 "[ . 1 . 2]"
1 110 SER 1.016 0.066 14 0 "[ . 1 . 2]"
1 111 GLY 0.877 0.065 14 0 "[ . 1 . 2]"
1 112 GLU 1.597 0.070 20 0 "[ . 1 . 2]"
1 113 ASN 1.531 0.070 20 0 "[ . 1 . 2]"
1 114 THR 1.388 0.070 8 0 "[ . 1 . 2]"
1 115 PHE 0.831 0.070 8 0 "[ . 1 . 2]"
1 116 GLY 0.085 0.029 17 0 "[ . 1 . 2]"
2 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLU 0.106 0.064 19 0 "[ . 1 . 2]"
2 5 ILE 0.598 0.068 10 0 "[ . 1 . 2]"
2 6 ILE 0.862 0.068 10 0 "[ . 1 . 2]"
2 7 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 TRP 6.523 0.090 20 0 "[ . 1 . 2]"
2 13 GLY 2.969 0.073 20 0 "[ . 1 . 2]"
2 14 ILE 3.740 0.096 6 0 "[ . 1 . 2]"
2 15 GLU 2.236 0.079 7 0 "[ . 1 . 2]"
2 16 LEU 1.340 0.069 8 0 "[ . 1 . 2]"
2 17 VAL 3.216 0.081 9 0 "[ . 1 . 2]"
2 18 SER 2.366 0.070 15 0 "[ . 1 . 2]"
2 19 GLU 0.713 0.089 3 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 1 MET HA 1 2 GLY HA2 . . 5.050 4.567 4.372 4.943 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 GLY HA3 . . 5.050 4.562 4.358 5.116 0.066 9 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 GLY QA . . 5.260 4.058 3.923 4.317 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 2 GLY H . . 4.850 3.042 2.158 4.020 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET ME 1 2 GLY QA . . 6.150 5.180 4.140 6.239 0.089 4 0 "[ . 1 . 2]" 1
6 1 1 MET QG 1 2 GLY H . . 6.090 3.689 1.667 4.788 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLY H 1 3 TRP H . . 4.280 3.590 2.152 4.310 0.030 12 0 "[ . 1 . 2]" 1
8 1 3 TRP H 1 3 TRP HD1 . . 3.860 3.745 3.203 3.926 0.066 11 0 "[ . 1 . 2]" 1
9 1 3 TRP H 1 3 TRP HE3 . . 4.760 4.706 4.522 4.824 0.064 15 0 "[ . 1 . 2]" 1
10 1 3 TRP H 1 6 LYS HB2 . . 4.860 4.657 3.983 4.910 0.050 8 0 "[ . 1 . 2]" 1
11 1 3 TRP H 1 6 LYS HB3 . . 4.860 3.729 3.244 4.618 . 0 0 "[ . 1 . 2]" 1
12 1 3 TRP H 1 6 LYS QB . . 4.900 3.569 3.108 3.916 . 0 0 "[ . 1 . 2]" 1
13 1 3 TRP H 1 6 LYS QD . . 5.000 4.401 3.575 5.079 0.079 19 0 "[ . 1 . 2]" 1
14 1 3 TRP HA 1 3 TRP HE3 . . 4.230 2.088 1.996 2.323 . 0 0 "[ . 1 . 2]" 1
15 1 3 TRP HA 1 3 TRP HZ3 . . 4.510 4.329 4.218 4.481 . 0 0 "[ . 1 . 2]" 1
16 1 3 TRP HA 1 6 LYS QB . . 5.530 4.531 4.331 4.872 . 0 0 "[ . 1 . 2]" 1
17 1 3 TRP HD1 1 6 LYS QD . . 4.580 3.158 2.464 4.494 . 0 0 "[ . 1 . 2]" 1
18 1 3 TRP HE1 1 106 TYR HB3 . . 5.500 5.268 4.443 5.558 0.058 17 0 "[ . 1 . 2]" 1
19 1 3 TRP HE3 1 32 ILE MG . . 5.680 4.516 3.640 5.069 . 0 0 "[ . 1 . 2]" 1
20 1 3 TRP HE3 1 34 GLU HB2 . . 4.770 4.179 3.630 4.505 . 0 0 "[ . 1 . 2]" 1
21 1 3 TRP HE3 1 34 GLU HB3 . . 5.200 4.686 4.200 5.096 . 0 0 "[ . 1 . 2]" 1
22 1 3 TRP HE3 1 34 GLU QG . . 4.980 3.418 2.614 4.809 . 0 0 "[ . 1 . 2]" 1
23 1 3 TRP HH2 1 107 VAL H . . 5.030 4.830 4.051 5.094 0.064 2 0 "[ . 1 . 2]" 1
24 1 3 TRP HH2 1 108 ALA H . . 4.530 4.465 4.041 4.595 0.065 2 0 "[ . 1 . 2]" 1
25 1 3 TRP HH2 1 108 ALA HA . . 4.220 3.925 3.334 4.268 0.048 1 0 "[ . 1 . 2]" 1
26 1 3 TRP HH2 1 108 ALA MB . . 4.440 2.477 2.191 2.770 . 0 0 "[ . 1 . 2]" 1
27 1 3 TRP HH2 1 34 GLU H . . 4.890 4.744 4.236 4.957 0.067 4 0 "[ . 1 . 2]" 1
28 1 3 TRP HZ2 1 106 TYR HB2 . . 4.360 3.643 3.138 4.112 . 0 0 "[ . 1 . 2]" 1
29 1 3 TRP HZ2 1 106 TYR HB3 . . 5.310 5.006 4.357 5.364 0.054 2 0 "[ . 1 . 2]" 1
30 1 3 TRP HZ2 1 108 ALA MB . . 5.220 4.110 3.644 4.413 . 0 0 "[ . 1 . 2]" 1
31 1 3 TRP HZ3 1 108 ALA MB . . 5.350 3.989 3.541 4.500 . 0 0 "[ . 1 . 2]" 1
32 1 3 TRP HZ3 1 34 GLU H . . 4.370 4.297 3.142 4.438 0.068 9 0 "[ . 1 . 2]" 1
33 1 3 TRP HZ3 1 34 GLU HB2 . . 4.240 2.225 2.111 2.482 . 0 0 "[ . 1 . 2]" 1
34 1 3 TRP HZ3 1 34 GLU HB3 . . 4.520 3.287 2.540 3.833 . 0 0 "[ . 1 . 2]" 1
35 1 3 TRP HZ3 1 34 GLU QG . . 5.470 2.742 2.116 3.878 . 0 0 "[ . 1 . 2]" 1
36 1 3 TRP HZ3 1 4 MET H . . 5.220 5.280 5.246 5.293 0.073 8 0 "[ . 1 . 2]" 1
37 1 3 TRP QB 1 6 LYS QB . . 5.250 2.102 1.937 2.291 . 0 0 "[ . 1 . 2]" 1
38 1 4 MET HA 1 7 GLU H . . 3.900 3.467 3.089 3.765 . 0 0 "[ . 1 . 2]" 1
39 1 4 MET HA 1 7 GLU QB . . 4.700 2.769 2.256 3.034 . 0 0 "[ . 1 . 2]" 1
40 1 4 MET HA 1 7 GLU QG . . 4.570 4.098 2.463 4.627 0.057 19 0 "[ . 1 . 2]" 1
41 1 4 MET HB2 2 12 TRP HZ2 . . 3.820 3.050 2.253 3.883 0.063 12 0 "[ . 1 . 2]" 1
42 1 4 MET HB2 1 5 PHE H . . 4.500 2.945 2.322 3.807 . 0 0 "[ . 1 . 2]" 1
43 1 4 MET HB3 2 12 TRP HZ2 . . 3.820 2.976 2.150 3.869 0.049 15 0 "[ . 1 . 2]" 1
44 1 4 MET HB3 1 5 PHE H . . 4.500 3.236 2.440 3.789 . 0 0 "[ . 1 . 2]" 1
45 1 4 MET QB 2 12 TRP HE1 . . 5.430 4.287 3.589 4.887 . 0 0 "[ . 1 . 2]" 1
46 1 4 MET QB 2 12 TRP HH2 . . 5.120 3.518 2.910 4.018 . 0 0 "[ . 1 . 2]" 1
47 1 4 MET QB 2 12 TRP HZ2 . . 4.000 2.477 2.124 3.151 . 0 0 "[ . 1 . 2]" 1
48 1 4 MET QB 1 46 LYS QE . . 5.370 2.892 2.304 3.355 . 0 0 "[ . 1 . 2]" 1
49 1 4 MET QB 1 5 PHE H . . 4.740 2.585 2.294 2.938 . 0 0 "[ . 1 . 2]" 1
50 1 4 MET QB 1 7 GLU QG . . 6.160 5.582 4.334 6.180 0.020 6 0 "[ . 1 . 2]" 1
51 1 4 MET ME 1 46 LYS HG2 . . 6.080 5.383 3.754 6.150 0.070 2 0 "[ . 1 . 2]" 1
52 1 4 MET ME 1 46 LYS QD . . 6.460 4.736 3.742 6.209 . 0 0 "[ . 1 . 2]" 1
53 1 4 MET ME 1 46 LYS QE . . 6.470 3.373 2.505 4.668 . 0 0 "[ . 1 . 2]" 1
54 1 4 MET QG 2 12 TRP HZ2 . . 5.360 4.262 2.828 5.091 . 0 0 "[ . 1 . 2]" 1
55 1 5 PHE H 2 12 TRP HH2 . . 4.300 3.875 3.344 4.202 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE H 2 12 TRP HZ2 . . 3.930 2.610 2.317 2.952 . 0 0 "[ . 1 . 2]" 1
57 1 5 PHE HA 2 12 TRP HE1 . . 3.900 2.698 2.353 3.150 . 0 0 "[ . 1 . 2]" 1
58 1 5 PHE HA 2 12 TRP HZ2 . . 3.520 3.174 2.606 3.558 0.038 16 0 "[ . 1 . 2]" 1
59 1 5 PHE HA 1 8 ASP QB . . 5.300 2.996 2.216 3.719 . 0 0 "[ . 1 . 2]" 1
60 1 5 PHE QB 1 14 ARG HH11 . . 4.590 2.667 2.430 2.940 . 0 0 "[ . 1 . 2]" 1
61 1 5 PHE QB 1 14 ARG HH12 . . 4.450 2.120 1.770 2.425 . 0 0 "[ . 1 . 2]" 1
62 1 5 PHE QB 1 14 ARG QH2 . . 6.830 3.481 2.382 4.007 . 0 0 "[ . 1 . 2]" 1
63 1 5 PHE QB 2 12 TRP HH2 . . 5.480 3.819 3.378 4.218 . 0 0 "[ . 1 . 2]" 1
64 1 5 PHE QB 1 32 ILE MG . . 6.540 3.818 3.419 4.372 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS QB 1 7 GLU H . . 4.400 2.805 2.504 3.044 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLU H 1 7 GLU HB2 . . 4.110 2.353 2.173 2.590 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLU H 1 7 GLU HB3 . . 4.110 2.853 2.395 3.657 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLU H 1 7 GLU QG . . 4.420 3.701 2.204 4.108 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLU H 1 9 HIS H . . 5.050 4.838 4.652 4.992 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLU HA 1 7 GLU HG2 . . 4.030 3.449 2.198 3.890 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLU HA 1 7 GLU HG3 . . 4.030 2.959 2.612 3.770 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLU HG2 1 8 ASP H . . 4.740 4.656 4.105 4.812 0.072 14 0 "[ . 1 . 2]" 1
73 1 7 GLU HG3 1 8 ASP H . . 4.740 4.227 3.656 4.807 0.067 5 0 "[ . 1 . 2]" 1
74 1 7 GLU QG 1 8 ASP H . . 4.840 3.901 3.457 4.200 . 0 0 "[ . 1 . 2]" 1
75 1 8 ASP H 1 9 HIS H . . 3.400 3.075 2.930 3.231 . 0 0 "[ . 1 . 2]" 1
76 1 8 ASP QB 2 12 TRP HE1 . . 4.680 3.655 3.271 3.802 . 0 0 "[ . 1 . 2]" 1
77 1 8 ASP QB 1 9 HIS H . . 4.630 2.202 1.945 2.510 . 0 0 "[ . 1 . 2]" 1
78 1 9 HIS H 1 10 SER H . . 4.420 4.047 3.883 4.260 . 0 0 "[ . 1 . 2]" 1
79 1 9 HIS H 1 9 HIS HB2 . . 4.020 3.930 3.816 4.023 0.003 4 0 "[ . 1 . 2]" 1
80 1 9 HIS H 1 9 HIS HB3 . . 4.020 3.636 3.494 3.805 . 0 0 "[ . 1 . 2]" 1
81 1 9 HIS H 1 9 HIS HE1 . . 4.410 4.413 4.096 4.483 0.073 1 0 "[ . 1 . 2]" 1
82 1 9 HIS HE1 2 12 TRP HD1 . . 3.590 2.750 2.101 3.484 . 0 0 "[ . 1 . 2]" 1
83 1 9 HIS HE1 2 12 TRP HE1 . . 3.790 3.566 2.722 3.848 0.058 18 0 "[ . 1 . 2]" 1
84 1 10 SER H 1 11 LEU H . . 4.400 2.490 2.124 2.703 . 0 0 "[ . 1 . 2]" 1
85 1 10 SER HA 1 12 GLU H . . 5.040 5.027 4.712 5.108 0.068 9 0 "[ . 1 . 2]" 1
86 1 10 SER HB2 1 11 LEU H . . 4.180 3.321 2.613 4.164 . 0 0 "[ . 1 . 2]" 1
87 1 10 SER HB3 1 11 LEU H . . 4.180 3.163 2.184 3.995 . 0 0 "[ . 1 . 2]" 1
88 1 10 SER QB 1 11 LEU H . . 4.500 2.669 2.165 3.155 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU H 1 11 LEU HB2 . . 3.760 2.771 2.217 3.648 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU H 1 11 LEU HB3 . . 3.760 3.032 2.346 3.644 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU H 1 11 LEU MD1 . . 5.650 3.730 3.025 4.103 . 0 0 "[ . 1 . 2]" 1
92 1 11 LEU H 1 11 LEU MD2 . . 5.650 3.286 1.808 4.361 . 0 0 "[ . 1 . 2]" 1
93 1 11 LEU H 1 14 ARG H . . 5.110 4.789 4.658 4.936 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU HB2 1 12 GLU H . . 3.940 3.048 2.218 3.871 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU HB3 1 12 GLU H . . 3.940 3.185 2.229 3.997 0.057 9 0 "[ . 1 . 2]" 1
96 1 11 LEU HG 1 12 GLU H . . 4.400 3.541 1.713 4.455 0.055 17 0 "[ . 1 . 2]" 1
97 1 11 LEU MD1 1 12 GLU H . . 5.890 3.931 2.377 4.650 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU MD2 1 12 GLU H . . 5.890 4.121 2.502 4.758 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU QD 1 12 GLU HA . . 6.950 4.332 2.512 5.176 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU QD 1 12 GLU QG . . 7.630 4.398 2.201 6.188 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLU H 1 12 GLU HB2 . . 4.080 2.416 1.930 3.646 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU H 1 12 GLU HB3 . . 4.080 3.182 2.376 3.670 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU H 1 12 GLU QG . . 4.860 3.306 2.271 4.124 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU H 1 13 HIS H . . 3.590 2.745 2.533 3.014 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU H 1 14 ARG H . . 4.960 4.335 4.138 4.625 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLU H 1 15 CYS H . . 5.350 4.778 4.703 4.948 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU HA 1 15 CYS H . . 4.350 3.603 3.253 3.992 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLU HA 1 15 CYS HB2 . . 4.590 3.250 2.543 4.204 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLU HA 1 15 CYS HB3 . . 4.590 3.567 2.171 4.623 0.033 11 0 "[ . 1 . 2]" 1
110 1 12 GLU HA 1 15 CYS QB . . 4.810 2.755 2.122 3.270 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLU HA 1 16 VAL QG . . 6.570 3.821 3.289 4.513 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLU HB2 1 13 HIS H . . 3.840 3.116 2.311 3.823 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLU HB3 1 13 HIS H . . 3.840 2.937 2.163 3.835 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLU QB 1 16 VAL QG . . 7.530 3.848 3.178 4.490 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLU QG 1 13 HIS H . . 5.310 3.959 1.647 4.578 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLU QG 1 16 VAL QG . . 7.400 3.894 2.344 5.259 . 0 0 "[ . 1 . 2]" 1
117 1 13 HIS H 1 13 HIS HB2 . . 3.440 2.274 2.050 2.493 . 0 0 "[ . 1 . 2]" 1
118 1 13 HIS H 1 13 HIS HB3 . . 3.440 2.668 2.362 2.944 . 0 0 "[ . 1 . 2]" 1
119 1 13 HIS H 1 14 ARG H . . 3.600 2.888 2.700 3.103 . 0 0 "[ . 1 . 2]" 1
120 1 13 HIS HA 1 13 HIS HD2 . . 4.480 3.711 2.964 4.542 0.062 11 0 "[ . 1 . 2]" 1
121 1 13 HIS HB2 1 14 ARG H . . 4.060 3.706 3.383 3.940 . 0 0 "[ . 1 . 2]" 1
122 1 13 HIS HB3 1 14 ARG H . . 4.060 2.474 2.223 2.711 . 0 0 "[ . 1 . 2]" 1
123 1 13 HIS HD2 1 14 ARG H . . 5.170 3.862 3.112 4.294 . 0 0 "[ . 1 . 2]" 1
124 1 13 HIS HD2 1 14 ARG HA . . 4.350 3.456 2.528 4.169 . 0 0 "[ . 1 . 2]" 1
125 1 13 HIS HD2 1 14 ARG HH12 . . 4.930 3.998 3.055 4.994 0.064 15 0 "[ . 1 . 2]" 1
126 1 13 HIS HD2 1 14 ARG QD . . 5.290 3.626 2.213 5.339 0.049 6 0 "[ . 1 . 2]" 1
127 1 13 HIS QB 1 14 ARG H . . 4.330 2.438 2.200 2.666 . 0 0 "[ . 1 . 2]" 1
128 1 13 HIS QB 1 15 CYS H . . 5.450 4.774 4.552 4.925 . 0 0 "[ . 1 . 2]" 1
129 1 14 ARG H 1 14 ARG HE . . 4.460 4.035 2.450 4.510 0.050 19 0 "[ . 1 . 2]" 1
130 1 14 ARG H 1 14 ARG HG2 . . 4.460 3.447 2.127 4.265 . 0 0 "[ . 1 . 2]" 1
131 1 14 ARG H 1 14 ARG HG3 . . 4.460 4.069 3.365 4.277 . 0 0 "[ . 1 . 2]" 1
132 1 14 ARG H 1 14 ARG QG . . 4.720 3.222 2.105 3.791 . 0 0 "[ . 1 . 2]" 1
133 1 14 ARG H 1 15 CYS H . . 3.790 2.772 2.624 2.928 . 0 0 "[ . 1 . 2]" 1
134 1 14 ARG H 1 17 GLU QB . . 5.540 4.663 4.202 5.056 . 0 0 "[ . 1 . 2]" 1
135 1 14 ARG HA 1 14 ARG HE . . 3.550 2.606 2.078 3.606 0.056 5 0 "[ . 1 . 2]" 1
136 1 14 ARG HA 1 14 ARG HH11 . . 5.190 4.936 4.593 5.250 0.060 12 0 "[ . 1 . 2]" 1
137 1 14 ARG HA 1 17 GLU H . . 4.520 3.669 3.429 3.949 . 0 0 "[ . 1 . 2]" 1
138 1 14 ARG HE 1 17 GLU QG . . 5.870 4.524 2.899 5.930 0.060 10 0 "[ . 1 . 2]" 1
139 1 14 ARG HE 1 14 ARG HG2 . . 3.860 3.329 2.234 3.598 . 0 0 "[ . 1 . 2]" 1
140 1 14 ARG HG2 1 14 ARG HH11 . . 4.080 3.732 2.415 4.157 0.077 20 0 "[ . 1 . 2]" 1
141 1 14 ARG HE 1 14 ARG HG3 . . 4.100 2.846 2.176 4.085 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG HG3 1 14 ARG HH11 . . 4.580 4.046 3.030 4.469 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG HH12 2 12 TRP HE1 . . 4.860 4.559 4.012 4.928 0.068 12 0 "[ . 1 . 2]" 1
144 1 14 ARG HH12 1 32 ILE MG . . 5.180 4.739 3.201 5.261 0.081 6 0 "[ . 1 . 2]" 1
145 1 14 ARG QB 1 104 PHE QE . . 8.610 5.033 4.160 5.700 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG QB 1 14 ARG HH11 . . 5.690 4.678 4.359 5.167 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG QB 1 15 CYS H . . 5.000 2.655 2.313 2.929 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG QD 1 14 ARG HH12 . . 4.600 3.383 3.247 3.642 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG QG 1 104 PHE HZ . . 6.110 4.801 4.064 5.341 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG QG 1 104 PHE QD . . 7.350 3.031 2.176 4.110 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG QG 1 104 PHE QE . . 7.020 3.660 2.714 4.399 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG QG 1 14 ARG HH12 . . 5.840 4.621 3.367 5.081 . 0 0 "[ . 1 . 2]" 1
153 1 14 ARG QG 1 15 CYS H . . 5.930 4.467 3.902 4.710 . 0 0 "[ . 1 . 2]" 1
154 1 14 ARG QH2 1 17 GLU QB . . 6.580 4.149 3.277 6.196 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG QH2 1 17 GLU QG . . 6.030 4.004 2.765 5.507 . 0 0 "[ . 1 . 2]" 1
156 1 15 CYS H 1 15 CYS HB2 . . 3.980 2.397 2.247 2.489 . 0 0 "[ . 1 . 2]" 1
157 1 15 CYS H 1 15 CYS HB3 . . 3.980 3.027 2.352 3.615 . 0 0 "[ . 1 . 2]" 1
158 1 15 CYS H 1 16 VAL H . . 3.870 2.892 2.760 3.061 . 0 0 "[ . 1 . 2]" 1
159 1 15 CYS H 1 17 GLU H . . 4.430 4.323 4.142 4.461 0.031 7 0 "[ . 1 . 2]" 1
160 1 15 CYS HB2 1 16 VAL H . . 4.140 3.239 2.389 3.977 . 0 0 "[ . 1 . 2]" 1
161 1 15 CYS HB3 1 16 VAL H . . 4.140 2.860 2.266 3.586 . 0 0 "[ . 1 . 2]" 1
162 1 15 CYS QB 1 16 VAL H . . 4.450 2.449 2.243 2.669 . 0 0 "[ . 1 . 2]" 1
163 1 15 CYS QB 1 16 VAL QG . . 7.400 3.197 2.825 3.884 . 0 0 "[ . 1 . 2]" 1
164 1 16 VAL H 1 16 VAL HB . . 3.180 2.411 2.264 2.657 . 0 0 "[ . 1 . 2]" 1
165 1 16 VAL H 1 17 GLU H . . 3.490 2.761 2.632 2.929 . 0 0 "[ . 1 . 2]" 1
166 1 16 VAL H 1 19 ALA H . . 4.870 4.893 4.690 4.937 0.067 4 0 "[ . 1 . 2]" 1
167 1 16 VAL HA 1 19 ALA H . . 4.220 3.688 3.466 3.885 . 0 0 "[ . 1 . 2]" 1
168 1 16 VAL HA 1 19 ALA MB . . 4.700 2.857 2.612 3.069 . 0 0 "[ . 1 . 2]" 1
169 1 16 VAL HA 1 20 LYS H . . 4.540 4.114 3.901 4.368 . 0 0 "[ . 1 . 2]" 1
170 1 16 VAL HB 1 17 GLU H . . 4.070 2.862 2.422 4.027 . 0 0 "[ . 1 . 2]" 1
171 1 16 VAL HB 1 19 ALA MB . . 6.330 5.251 4.868 5.492 . 0 0 "[ . 1 . 2]" 1
172 1 16 VAL MG1 1 17 GLU H . . 5.120 3.060 2.169 3.484 . 0 0 "[ . 1 . 2]" 1
173 1 16 VAL MG1 1 17 GLU QG . . 7.220 4.055 2.227 5.398 . 0 0 "[ . 1 . 2]" 1
174 1 16 VAL MG1 1 19 ALA MB . . 6.790 4.144 3.733 5.051 . 0 0 "[ . 1 . 2]" 1
175 1 16 VAL MG2 1 17 GLU H . . 5.120 3.875 3.454 4.024 . 0 0 "[ . 1 . 2]" 1
176 1 16 VAL MG2 1 17 GLU QG . . 7.220 5.551 3.696 6.733 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL MG2 1 19 ALA MB . . 6.790 4.156 3.557 4.548 . 0 0 "[ . 1 . 2]" 1
178 1 16 VAL QG 1 17 GLU H . . 5.640 2.932 2.147 3.230 . 0 0 "[ . 1 . 2]" 1
179 1 16 VAL QG 1 17 GLU HA . . 6.230 3.338 3.145 3.585 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL QG 1 19 ALA MB . . 7.180 3.613 3.464 3.824 . 0 0 "[ . 1 . 2]" 1
181 1 16 VAL QG 1 20 LYS H . . 6.430 4.022 3.769 4.268 . 0 0 "[ . 1 . 2]" 1
182 1 16 VAL QG 1 20 LYS QD . . 6.700 3.076 2.066 3.611 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL QG 1 20 LYS QE . . 6.690 2.791 1.745 4.149 . 0 0 "[ . 1 . 2]" 1
184 1 16 VAL QG 1 20 LYS QG . . 6.390 2.777 2.290 3.300 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLU H 1 17 GLU QG . . 4.730 3.254 2.200 4.060 . 0 0 "[ . 1 . 2]" 1
186 1 17 GLU H 1 18 SER H . . 3.790 2.866 2.747 2.964 . 0 0 "[ . 1 . 2]" 1
187 1 17 GLU H 1 19 ALA H . . 4.830 4.391 4.193 4.492 . 0 0 "[ . 1 . 2]" 1
188 1 17 GLU HA 1 20 LYS H . . 3.830 3.547 3.201 3.871 0.041 14 0 "[ . 1 . 2]" 1
189 1 17 GLU HA 1 20 LYS HB2 . . 3.940 2.834 2.367 3.263 . 0 0 "[ . 1 . 2]" 1
190 1 17 GLU HA 1 20 LYS HB3 . . 5.280 4.518 4.003 4.986 . 0 0 "[ . 1 . 2]" 1
191 1 17 GLU HA 1 20 LYS QD . . 6.150 4.192 2.197 5.699 . 0 0 "[ . 1 . 2]" 1
192 1 17 GLU HA 1 20 LYS QE . . 5.060 4.207 2.358 5.132 0.072 17 0 "[ . 1 . 2]" 1
193 1 17 GLU HA 1 20 LYS QG . . 5.210 3.676 2.791 4.322 . 0 0 "[ . 1 . 2]" 1
194 1 17 GLU HA 1 21 ILE HG13 . . 4.340 3.702 3.253 4.071 . 0 0 "[ . 1 . 2]" 1
195 1 17 GLU HA 2 14 ILE MD . . 5.820 4.134 3.260 4.827 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLU QB 1 18 SER H . . 4.470 2.656 2.340 3.059 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLU QB 1 19 ALA H . . 6.380 4.889 4.753 5.045 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLU QB 1 21 ILE HG13 . . 5.230 4.128 3.273 5.046 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU QB 1 21 ILE MD . . 5.970 2.839 2.071 3.859 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLU QB 2 14 ILE MD . . 6.730 4.244 2.957 5.344 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU QB 1 48 LYS QE . . 6.620 3.377 1.882 4.688 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLU QG 1 19 ALA H . . 6.780 5.817 5.263 6.266 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLU QG 1 21 ILE MD . . 5.960 2.861 1.841 4.359 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU QG 2 14 ILE MD . . 7.400 3.530 2.062 4.373 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLU QG 1 48 LYS QE . . 6.150 2.953 1.889 4.202 . 0 0 "[ . 1 . 2]" 1
206 1 18 SER H 1 19 ALA H . . 3.570 2.827 2.651 2.933 . 0 0 "[ . 1 . 2]" 1
207 1 18 SER H 1 21 ILE H . . 4.900 4.763 4.686 4.837 . 0 0 "[ . 1 . 2]" 1
208 1 18 SER H 1 21 ILE MD . . 5.570 4.088 3.741 4.892 . 0 0 "[ . 1 . 2]" 1
209 1 18 SER HA 1 21 ILE H . . 4.250 3.609 3.279 3.964 . 0 0 "[ . 1 . 2]" 1
210 1 18 SER HA 1 21 ILE HB . . 3.770 2.698 2.479 3.345 . 0 0 "[ . 1 . 2]" 1
211 1 18 SER HA 1 21 ILE MD . . 4.920 2.999 2.261 4.027 . 0 0 "[ . 1 . 2]" 1
212 1 18 SER HA 1 21 ILE MG . . 5.650 3.918 3.619 4.541 . 0 0 "[ . 1 . 2]" 1
213 1 18 SER HA 1 22 ARG H . . 4.130 3.729 3.503 3.956 . 0 0 "[ . 1 . 2]" 1
214 1 18 SER QB 1 103 GLY QA . . 6.370 4.294 3.236 5.122 . 0 0 "[ . 1 . 2]" 1
215 1 18 SER QB 1 104 PHE H . . 6.220 5.931 5.236 6.294 0.074 17 0 "[ . 1 . 2]" 1
216 1 18 SER QB 1 19 ALA H . . 5.180 2.800 2.421 3.520 . 0 0 "[ . 1 . 2]" 1
217 1 18 SER QB 1 22 ARG H . . 6.220 4.789 4.360 5.224 . 0 0 "[ . 1 . 2]" 1
218 1 19 ALA H 1 20 LYS H . . 3.310 2.914 2.786 3.040 . 0 0 "[ . 1 . 2]" 1
219 1 19 ALA H 1 21 ILE H . . 4.510 4.364 4.217 4.557 0.047 13 0 "[ . 1 . 2]" 1
220 1 19 ALA H 1 22 ARG H . . 5.360 4.769 4.684 4.868 . 0 0 "[ . 1 . 2]" 1
221 1 19 ALA HA 1 22 ARG H . . 4.400 3.725 3.465 4.008 . 0 0 "[ . 1 . 2]" 1
222 1 19 ALA HA 1 22 ARG HB2 . . 4.050 3.014 2.621 3.316 . 0 0 "[ . 1 . 2]" 1
223 1 19 ALA HA 1 22 ARG HG3 . . 4.840 4.011 3.306 4.760 . 0 0 "[ . 1 . 2]" 1
224 1 19 ALA HA 1 23 ALA H . . 4.460 4.167 3.898 4.374 . 0 0 "[ . 1 . 2]" 1
225 1 19 ALA MB 1 20 LYS H . . 4.170 2.413 2.292 2.594 . 0 0 "[ . 1 . 2]" 1
226 1 19 ALA MB 1 20 LYS HA . . 5.300 3.867 3.790 3.946 . 0 0 "[ . 1 . 2]" 1
227 1 19 ALA MB 1 20 LYS HB2 . . 5.860 4.510 4.343 4.775 . 0 0 "[ . 1 . 2]" 1
228 1 19 ALA MB 1 21 ILE H . . 6.150 4.591 4.440 4.750 . 0 0 "[ . 1 . 2]" 1
229 1 19 ALA MB 1 22 ARG HB2 . . 5.530 4.524 4.186 4.796 . 0 0 "[ . 1 . 2]" 1
230 1 20 LYS H 1 20 LYS HB2 . . 3.070 2.501 2.363 2.607 . 0 0 "[ . 1 . 2]" 1
231 1 20 LYS H 1 20 LYS HB3 . . 3.700 3.626 3.569 3.677 . 0 0 "[ . 1 . 2]" 1
232 1 20 LYS H 1 20 LYS QD . . 5.310 4.060 3.523 4.477 . 0 0 "[ . 1 . 2]" 1
233 1 20 LYS H 1 20 LYS QE . . 5.460 4.485 3.506 5.305 . 0 0 "[ . 1 . 2]" 1
234 1 20 LYS H 1 20 LYS QG . . 4.030 2.333 2.130 2.547 . 0 0 "[ . 1 . 2]" 1
235 1 20 LYS H 1 21 ILE H . . 3.280 2.787 2.646 2.936 . 0 0 "[ . 1 . 2]" 1
236 1 20 LYS H 1 22 ARG H . . 4.340 4.288 4.186 4.382 0.042 17 0 "[ . 1 . 2]" 1
237 1 20 LYS H 1 23 ALA H . . 4.740 4.786 4.729 4.805 0.065 14 0 "[ . 1 . 2]" 1
238 1 20 LYS HA 1 20 LYS HG2 . . 3.960 2.495 2.223 2.839 . 0 0 "[ . 1 . 2]" 1
239 1 20 LYS HA 1 20 LYS HG3 . . 3.960 3.268 2.934 3.875 . 0 0 "[ . 1 . 2]" 1
240 1 20 LYS HA 1 20 LYS QD . . 5.110 3.711 2.364 4.312 . 0 0 "[ . 1 . 2]" 1
241 1 20 LYS HA 1 23 ALA H . . 4.390 3.548 3.337 3.904 . 0 0 "[ . 1 . 2]" 1
242 1 20 LYS HA 1 23 ALA MB . . 4.700 2.752 2.482 3.188 . 0 0 "[ . 1 . 2]" 1
243 1 20 LYS HB2 1 20 LYS QE . . 4.950 3.219 2.150 4.081 . 0 0 "[ . 1 . 2]" 1
244 1 20 LYS HB2 1 21 ILE H . . 3.600 2.635 2.325 3.078 . 0 0 "[ . 1 . 2]" 1
245 1 20 LYS HB2 1 21 ILE HG12 . . 4.970 4.877 4.446 5.026 0.056 8 0 "[ . 1 . 2]" 1
246 1 20 LYS HB2 2 14 ILE MD . . 4.970 4.183 3.636 4.732 . 0 0 "[ . 1 . 2]" 1
247 1 20 LYS HB3 1 20 LYS QE . . 4.900 3.034 2.133 4.225 . 0 0 "[ . 1 . 2]" 1
248 1 20 LYS HB3 1 21 ILE H . . 4.380 3.590 3.340 3.916 . 0 0 "[ . 1 . 2]" 1
249 1 20 LYS QE 2 14 ILE MD . . 5.590 4.311 2.892 5.686 0.096 6 0 "[ . 1 . 2]" 1
250 1 20 LYS QG 1 21 ILE H . . 5.170 4.154 3.899 4.329 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE H 1 21 ILE HB . . 3.200 2.343 2.266 2.595 . 0 0 "[ . 1 . 2]" 1
252 1 21 ILE H 1 21 ILE HG12 . . 3.750 3.688 3.601 3.778 0.028 4 0 "[ . 1 . 2]" 1
253 1 21 ILE H 1 21 ILE HG13 . . 3.790 2.345 2.195 2.530 . 0 0 "[ . 1 . 2]" 1
254 1 21 ILE H 1 21 ILE MD . . 5.270 3.376 3.189 3.813 . 0 0 "[ . 1 . 2]" 1
255 1 21 ILE H 1 22 ARG H . . 3.400 2.759 2.602 2.906 . 0 0 "[ . 1 . 2]" 1
256 1 21 ILE H 1 23 ALA H . . 4.600 4.131 3.985 4.255 . 0 0 "[ . 1 . 2]" 1
257 1 21 ILE HA 1 21 ILE HG12 . . 4.160 2.580 2.322 2.824 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE HA 1 21 ILE HG13 . . 3.750 2.760 2.669 2.916 . 0 0 "[ . 1 . 2]" 1
259 1 21 ILE HA 1 23 ALA H . . 4.720 4.350 4.133 4.543 . 0 0 "[ . 1 . 2]" 1
260 1 21 ILE HA 1 24 LYS H . . 3.960 3.468 3.249 3.675 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE HA 1 24 LYS HB2 . . 4.850 2.959 2.723 3.265 . 0 0 "[ . 1 . 2]" 1
262 1 21 ILE HA 1 24 LYS HB3 . . 4.850 4.578 4.109 4.895 0.045 11 0 "[ . 1 . 2]" 1
263 1 21 ILE HA 1 24 LYS QB . . 4.880 2.924 2.699 3.219 . 0 0 "[ . 1 . 2]" 1
264 1 21 ILE HA 1 25 TYR H . . 4.250 3.256 2.968 3.506 . 0 0 "[ . 1 . 2]" 1
265 1 21 ILE HA 1 25 TYR QD . . 6.070 2.824 2.321 3.290 . 0 0 "[ . 1 . 2]" 1
266 1 21 ILE HB 1 22 ARG H . . 4.220 2.738 2.649 2.852 . 0 0 "[ . 1 . 2]" 1
267 1 21 ILE HB 1 22 ARG HG2 . . 4.590 3.780 3.402 4.184 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE HB 1 25 TYR H . . 5.430 5.423 5.112 5.497 0.067 11 0 "[ . 1 . 2]" 1
269 1 21 ILE HG12 1 22 ARG H . . 5.320 5.204 5.083 5.295 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE HG12 2 14 ILE MD . . 4.480 3.267 2.248 3.949 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE HG12 2 14 ILE MG . . 4.940 3.331 2.484 4.082 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE HG12 2 16 LEU QD . . 7.540 5.612 4.419 6.992 . 0 0 "[ . 1 . 2]" 1
273 1 21 ILE HG12 1 25 TYR QE . . 6.530 4.176 2.883 5.209 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE HG12 1 50 LEU HG . . 4.720 4.474 3.925 4.751 0.031 19 0 "[ . 1 . 2]" 1
275 1 21 ILE HG12 1 50 LEU MD1 . . 5.160 2.406 2.069 3.959 . 0 0 "[ . 1 . 2]" 1
276 1 21 ILE HG12 1 50 LEU MD2 . . 5.160 2.722 2.164 3.245 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE HG12 1 50 LEU QD . . 5.630 2.143 1.958 2.325 . 0 0 "[ . 1 . 2]" 1
278 1 21 ILE HG13 1 22 ARG H . . 4.560 4.565 4.493 4.613 0.053 4 0 "[ . 1 . 2]" 1
279 1 21 ILE HG13 2 14 ILE MD . . 4.710 3.225 2.316 4.093 . 0 0 "[ . 1 . 2]" 1
280 1 21 ILE HG13 2 14 ILE MG . . 5.330 4.197 3.479 4.949 . 0 0 "[ . 1 . 2]" 1
281 1 21 ILE HG13 1 50 LEU QD . . 6.590 3.375 3.109 3.676 . 0 0 "[ . 1 . 2]" 1
282 1 21 ILE MD 2 15 GLU H . . 6.460 5.751 5.345 6.178 . 0 0 "[ . 1 . 2]" 1
283 1 21 ILE MD 1 25 TYR QD . . 8.150 4.661 4.031 5.243 . 0 0 "[ . 1 . 2]" 1
284 1 21 ILE MD 1 30 PRO HB2 . . 5.180 3.345 3.117 3.582 . 0 0 "[ . 1 . 2]" 1
285 1 21 ILE MD 1 30 PRO HB3 . . 4.720 2.158 2.001 2.340 . 0 0 "[ . 1 . 2]" 1
286 1 21 ILE MD 1 30 PRO HG2 . . 6.520 4.529 3.871 4.819 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE MD 1 30 PRO HG3 . . 6.520 3.509 2.646 3.876 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE MD 1 30 PRO QG . . 6.620 3.394 2.604 3.724 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE MD 1 48 LYS HB3 . . 6.230 3.799 3.258 4.594 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE MD 1 48 LYS QE . . 6.110 3.907 2.036 5.513 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE MD 1 50 LEU HG . . 5.210 4.004 2.278 4.316 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE MD 1 50 LEU MD1 . . 5.860 2.988 2.630 3.344 . 0 0 "[ . 1 . 2]" 1
293 1 21 ILE MD 1 50 LEU MD2 . . 5.860 1.984 1.860 2.295 . 0 0 "[ . 1 . 2]" 1
294 1 21 ILE MD 1 50 LEU QD . . 6.350 1.953 1.844 2.210 . 0 0 "[ . 1 . 2]" 1
295 1 21 ILE MG 1 22 ARG H . . 4.730 3.323 3.118 3.622 . 0 0 "[ . 1 . 2]" 1
296 1 21 ILE MG 1 22 ARG HA . . 5.350 3.346 3.132 3.558 . 0 0 "[ . 1 . 2]" 1
297 1 21 ILE MG 1 22 ARG HD2 . . 6.430 4.213 3.115 5.370 . 0 0 "[ . 1 . 2]" 1
298 1 21 ILE MG 1 22 ARG HD3 . . 6.430 4.809 3.675 6.063 . 0 0 "[ . 1 . 2]" 1
299 1 21 ILE MG 1 22 ARG HG2 . . 4.920 3.541 3.181 4.600 . 0 0 "[ . 1 . 2]" 1
300 1 21 ILE MG 1 25 TYR H . . 5.210 3.645 3.226 3.941 . 0 0 "[ . 1 . 2]" 1
301 1 21 ILE MG 1 25 TYR HB2 . . 5.420 2.712 2.273 3.103 . 0 0 "[ . 1 . 2]" 1
302 1 21 ILE MG 1 25 TYR QD . . 6.880 2.601 2.125 3.270 . 0 0 "[ . 1 . 2]" 1
303 1 21 ILE MG 1 28 ARG HB3 . . 5.230 4.023 3.690 4.246 . 0 0 "[ . 1 . 2]" 1
304 1 21 ILE MG 1 30 PRO HB3 . . 4.910 2.914 2.328 4.118 . 0 0 "[ . 1 . 2]" 1
305 1 21 ILE MG 1 30 PRO QD . . 6.820 3.023 2.557 3.473 . 0 0 "[ . 1 . 2]" 1
306 1 21 ILE MG 1 30 PRO QG . . 6.430 3.654 3.283 4.214 . 0 0 "[ . 1 . 2]" 1
307 1 21 ILE MG 1 50 LEU HB3 . . 4.560 3.552 3.312 3.903 . 0 0 "[ . 1 . 2]" 1
308 1 21 ILE MG 1 50 LEU HG . . 5.600 4.388 3.545 4.821 . 0 0 "[ . 1 . 2]" 1
309 1 21 ILE MG 1 50 LEU MD1 . . 5.410 2.408 2.072 4.343 . 0 0 "[ . 1 . 2]" 1
310 1 21 ILE MG 1 50 LEU MD2 . . 5.410 2.333 1.887 2.944 . 0 0 "[ . 1 . 2]" 1
311 1 21 ILE MG 1 50 LEU QD . . 6.060 2.014 1.854 2.259 . 0 0 "[ . 1 . 2]" 1
312 1 22 ARG H 1 22 ARG HB2 . . 3.000 2.418 2.306 2.670 . 0 0 "[ . 1 . 2]" 1
313 1 22 ARG H 1 22 ARG HG2 . . 3.490 2.558 2.300 3.026 . 0 0 "[ . 1 . 2]" 1
314 1 22 ARG H 1 22 ARG HG3 . . 4.200 3.438 2.755 3.980 . 0 0 "[ . 1 . 2]" 1
315 1 22 ARG H 1 22 ARG QD . . 6.220 3.979 3.236 4.434 . 0 0 "[ . 1 . 2]" 1
316 1 22 ARG H 1 23 ALA H . . 3.310 2.690 2.623 2.745 . 0 0 "[ . 1 . 2]" 1
317 1 22 ARG H 1 24 LYS H . . 4.310 4.363 4.288 4.376 0.066 19 0 "[ . 1 . 2]" 1
318 1 22 ARG HA 1 22 ARG HD2 . . 4.330 2.722 2.072 4.401 0.071 17 0 "[ . 1 . 2]" 1
319 1 22 ARG HA 1 22 ARG HD3 . . 4.330 3.872 3.617 4.379 0.049 10 0 "[ . 1 . 2]" 1
320 1 22 ARG HA 1 22 ARG HE . . 3.970 3.591 2.650 4.031 0.061 11 0 "[ . 1 . 2]" 1
321 1 22 ARG HA 1 22 ARG HG2 . . 3.930 2.754 2.230 3.291 . 0 0 "[ . 1 . 2]" 1
322 1 22 ARG HA 1 22 ARG QD . . 4.380 2.605 2.060 3.902 . 0 0 "[ . 1 . 2]" 1
323 1 22 ARG HA 1 25 TYR H . . 4.130 3.876 3.658 4.107 . 0 0 "[ . 1 . 2]" 1
324 1 22 ARG HA 1 28 ARG H . . 5.340 4.897 4.563 5.266 . 0 0 "[ . 1 . 2]" 1
325 1 22 ARG HB2 1 23 ALA H . . 3.450 2.883 2.674 3.151 . 0 0 "[ . 1 . 2]" 1
326 1 22 ARG HB2 1 23 ALA MB . . 5.440 4.205 4.056 4.387 . 0 0 "[ . 1 . 2]" 1
327 1 22 ARG HB3 1 22 ARG HE . . 3.170 2.492 1.972 3.214 0.044 8 0 "[ . 1 . 2]" 1
328 1 22 ARG HE 1 26 PRO HA . . 4.450 3.776 2.448 4.505 0.055 18 0 "[ . 1 . 2]" 1
329 1 22 ARG HE 1 22 ARG HG2 . . 4.010 3.540 2.450 4.039 0.029 1 0 "[ . 1 . 2]" 1
330 1 23 ALA H 1 24 LYS H . . 3.310 2.705 2.516 2.824 . 0 0 "[ . 1 . 2]" 1
331 1 23 ALA H 1 25 TYR H . . 4.890 4.286 3.994 4.478 . 0 0 "[ . 1 . 2]" 1
332 1 23 ALA HA 1 24 LYS HA . . 4.760 4.733 4.659 4.787 0.027 5 0 "[ . 1 . 2]" 1
333 1 23 ALA MB 1 24 LYS H . . 3.900 2.492 2.401 2.585 . 0 0 "[ . 1 . 2]" 1
334 1 23 ALA MB 1 24 LYS HG3 . . 5.340 3.670 3.046 4.782 . 0 0 "[ . 1 . 2]" 1
335 1 24 LYS H 1 24 LYS HB2 . . 3.740 2.380 2.199 2.555 . 0 0 "[ . 1 . 2]" 1
336 1 24 LYS H 1 24 LYS HB3 . . 3.740 3.600 3.490 3.693 . 0 0 "[ . 1 . 2]" 1
337 1 24 LYS H 1 24 LYS HE2 . . 5.500 4.904 3.881 5.559 0.059 9 0 "[ . 1 . 2]" 1
338 1 24 LYS H 1 24 LYS HE3 . . 5.500 4.889 3.947 5.562 0.062 18 0 "[ . 1 . 2]" 1
339 1 24 LYS H 1 24 LYS HG2 . . 4.390 3.697 2.979 4.248 . 0 0 "[ . 1 . 2]" 1
340 1 24 LYS H 1 24 LYS HG3 . . 3.980 2.987 2.465 4.042 0.062 14 0 "[ . 1 . 2]" 1
341 1 24 LYS H 1 24 LYS QB . . 3.890 2.348 2.177 2.511 . 0 0 "[ . 1 . 2]" 1
342 1 24 LYS H 1 25 TYR H . . 3.060 2.660 2.580 2.743 . 0 0 "[ . 1 . 2]" 1
343 1 24 LYS HA 1 24 LYS HG2 . . 4.040 2.718 2.226 3.679 . 0 0 "[ . 1 . 2]" 1
344 1 24 LYS HA 1 24 LYS HG3 . . 3.630 2.970 2.322 3.580 . 0 0 "[ . 1 . 2]" 1
345 1 24 LYS HA 1 24 LYS QD . . 4.880 3.542 2.505 4.051 . 0 0 "[ . 1 . 2]" 1
346 1 24 LYS HA 1 24 LYS QE . . 5.560 4.469 3.976 5.044 . 0 0 "[ . 1 . 2]" 1
347 1 24 LYS HB2 1 25 TYR H . . 3.810 2.621 2.353 3.025 . 0 0 "[ . 1 . 2]" 1
348 1 24 LYS HB2 1 25 TYR QD . . 6.630 3.165 2.655 3.473 . 0 0 "[ . 1 . 2]" 1
349 1 24 LYS HB2 1 25 TYR QE . . 6.420 3.488 3.014 4.058 . 0 0 "[ . 1 . 2]" 1
350 1 24 LYS HB3 1 25 TYR H . . 3.810 3.404 3.036 3.820 0.010 11 0 "[ . 1 . 2]" 1
351 1 24 LYS HB3 1 25 TYR QD . . 6.630 3.466 3.190 3.812 . 0 0 "[ . 1 . 2]" 1
352 1 24 LYS HB3 1 25 TYR QE . . 6.420 3.264 2.996 3.873 . 0 0 "[ . 1 . 2]" 1
353 1 24 LYS HE2 1 24 LYS HG2 . . 3.980 3.190 2.331 3.824 . 0 0 "[ . 1 . 2]" 1
354 1 24 LYS HE3 1 24 LYS HG2 . . 3.980 3.346 2.519 3.879 . 0 0 "[ . 1 . 2]" 1
355 1 24 LYS HG2 1 25 TYR H . . 5.020 4.983 4.689 5.074 0.054 7 0 "[ . 1 . 2]" 1
356 1 24 LYS HE2 1 24 LYS HG3 . . 3.900 2.885 2.314 3.810 . 0 0 "[ . 1 . 2]" 1
357 1 24 LYS HE3 1 24 LYS HG3 . . 3.900 2.880 2.263 3.716 . 0 0 "[ . 1 . 2]" 1
358 1 24 LYS QB 1 25 TYR H . . 4.160 2.535 2.298 2.916 . 0 0 "[ . 1 . 2]" 1
359 1 24 LYS QB 1 25 TYR QD . . 6.840 2.921 2.561 3.151 . 0 0 "[ . 1 . 2]" 1
360 1 24 LYS QB 1 25 TYR QE . . 6.560 2.989 2.760 3.526 . 0 0 "[ . 1 . 2]" 1
361 1 24 LYS QD 1 25 TYR QE . . 7.250 3.746 2.519 5.472 . 0 0 "[ . 1 . 2]" 1
362 1 24 LYS QE 1 25 TYR QE . . 7.820 4.126 2.164 6.101 . 0 0 "[ . 1 . 2]" 1
363 1 25 TYR H 1 25 TYR HB2 . . 3.440 2.775 2.590 3.024 . 0 0 "[ . 1 . 2]" 1
364 1 25 TYR H 1 25 TYR HB3 . . 3.940 3.769 3.685 3.865 . 0 0 "[ . 1 . 2]" 1
365 1 25 TYR H 1 25 TYR QD . . 5.610 3.157 2.829 3.469 . 0 0 "[ . 1 . 2]" 1
366 1 25 TYR H 1 25 TYR QE . . 7.040 4.715 4.432 5.080 . 0 0 "[ . 1 . 2]" 1
367 1 25 TYR H 1 28 ARG H . . 5.500 5.307 5.148 5.420 . 0 0 "[ . 1 . 2]" 1
368 1 25 TYR H 1 50 LEU QD . . 7.540 4.700 4.476 4.953 . 0 0 "[ . 1 . 2]" 1
369 1 25 TYR HA 1 26 PRO HA . . 4.750 4.677 4.628 4.729 . 0 0 "[ . 1 . 2]" 1
370 1 25 TYR HA 1 26 PRO HD2 . . 3.530 2.157 2.049 2.233 . 0 0 "[ . 1 . 2]" 1
371 1 25 TYR HA 1 26 PRO HD3 . . 3.290 2.986 2.721 3.129 . 0 0 "[ . 1 . 2]" 1
372 1 25 TYR HA 1 26 PRO HG2 . . 4.390 4.314 4.219 4.400 0.010 5 0 "[ . 1 . 2]" 1
373 1 25 TYR HA 1 27 ASP H . . 3.980 3.343 3.046 3.542 . 0 0 "[ . 1 . 2]" 1
374 1 25 TYR HA 1 28 ARG HG3 . . 4.400 4.223 3.698 4.451 0.051 4 0 "[ . 1 . 2]" 1
375 1 25 TYR HB2 1 28 ARG H . . 4.160 3.772 3.452 4.035 . 0 0 "[ . 1 . 2]" 1
376 1 25 TYR HB2 1 28 ARG HB3 . . 4.710 3.986 3.824 4.211 . 0 0 "[ . 1 . 2]" 1
377 1 25 TYR HB2 1 28 ARG HG3 . . 4.940 3.841 3.138 4.232 . 0 0 "[ . 1 . 2]" 1
378 1 25 TYR HB2 1 50 LEU QD . . 6.620 3.184 2.897 3.554 . 0 0 "[ . 1 . 2]" 1
379 1 25 TYR HB3 2 16 LEU QD . . 6.830 3.899 3.225 4.612 . 0 0 "[ . 1 . 2]" 1
380 1 25 TYR HB3 1 28 ARG H . . 3.800 3.647 3.410 3.857 0.057 6 0 "[ . 1 . 2]" 1
381 1 25 TYR HB3 1 28 ARG HB2 . . 4.570 2.438 2.185 2.993 . 0 0 "[ . 1 . 2]" 1
382 1 25 TYR HB3 1 28 ARG HG3 . . 4.130 2.559 2.206 2.905 . 0 0 "[ . 1 . 2]" 1
383 1 25 TYR HB3 1 28 ARG QD . . 5.120 2.386 2.069 2.713 . 0 0 "[ . 1 . 2]" 1
384 1 25 TYR QD 1 28 ARG H . . 7.630 5.386 5.214 5.518 . 0 0 "[ . 1 . 2]" 1
385 1 25 TYR QD 1 28 ARG QD . . 7.740 3.287 2.916 3.820 . 0 0 "[ . 1 . 2]" 1
386 1 25 TYR QD 1 50 LEU MD1 . . 8.240 2.536 2.128 4.765 . 0 0 "[ . 1 . 2]" 1
387 1 25 TYR QD 1 50 LEU MD2 . . 8.240 4.117 2.410 4.691 . 0 0 "[ . 1 . 2]" 1
388 1 25 TYR QD 1 50 LEU QD . . 8.100 2.324 2.119 2.955 . 0 0 "[ . 1 . 2]" 1
389 1 25 TYR QE 2 14 ILE MD . . 6.910 4.257 3.742 4.852 . 0 0 "[ . 1 . 2]" 1
390 1 25 TYR QE 2 14 ILE MG . . 6.860 3.321 3.003 3.881 . 0 0 "[ . 1 . 2]" 1
391 1 25 TYR QE 2 16 LEU MD1 . . 6.680 3.083 2.414 5.249 . 0 0 "[ . 1 . 2]" 1
392 1 25 TYR QE 2 16 LEU MD2 . . 6.680 3.621 2.550 5.161 . 0 0 "[ . 1 . 2]" 1
393 1 25 TYR QE 2 16 LEU QD . . 7.130 2.780 2.304 4.263 . 0 0 "[ . 1 . 2]" 1
394 1 25 TYR QE 1 50 LEU QD . . 8.110 2.839 2.268 3.668 . 0 0 "[ . 1 . 2]" 1
395 1 26 PRO HA 1 28 ARG H . . 4.000 3.692 3.568 3.837 . 0 0 "[ . 1 . 2]" 1
396 1 26 PRO HB2 1 27 ASP HA . . 4.760 4.361 4.158 4.630 . 0 0 "[ . 1 . 2]" 1
397 1 26 PRO HB2 1 28 ARG H . . 5.310 5.153 5.022 5.356 0.046 18 0 "[ . 1 . 2]" 1
398 1 26 PRO HB3 1 27 ASP H . . 4.520 4.313 4.107 4.446 . 0 0 "[ . 1 . 2]" 1
399 1 26 PRO HD2 1 27 ASP H . . 4.040 2.708 2.543 2.853 . 0 0 "[ . 1 . 2]" 1
400 1 26 PRO HD2 1 28 ARG H . . 4.740 4.801 4.795 4.811 0.071 6 0 "[ . 1 . 2]" 1
401 1 26 PRO HD3 1 27 ASP H . . 4.050 3.912 3.787 4.087 0.037 5 0 "[ . 1 . 2]" 1
402 1 26 PRO HG2 1 27 ASP H . . 3.530 2.684 2.257 3.079 . 0 0 "[ . 1 . 2]" 1
403 1 26 PRO HG2 1 27 ASP HA . . 5.210 4.570 4.307 5.066 . 0 0 "[ . 1 . 2]" 1
404 1 26 PRO HG2 1 28 ARG H . . 5.500 5.159 4.998 5.445 . 0 0 "[ . 1 . 2]" 1
405 1 27 ASP H 1 27 ASP HB2 . . 3.680 2.664 2.083 3.688 0.008 5 0 "[ . 1 . 2]" 1
406 1 27 ASP H 1 27 ASP HB3 . . 3.680 2.997 2.324 3.711 0.031 14 0 "[ . 1 . 2]" 1
407 1 27 ASP H 1 28 ARG H . . 3.020 2.703 2.395 3.014 . 0 0 "[ . 1 . 2]" 1
408 1 27 ASP HA 1 53 SER H . . 4.270 4.108 3.872 4.326 0.056 17 0 "[ . 1 . 2]" 1
409 1 27 ASP QB 1 28 ARG H . . 5.300 3.722 3.518 4.077 . 0 0 "[ . 1 . 2]" 1
410 1 28 ARG H 1 28 ARG HB2 . . 3.810 2.724 2.566 2.968 . 0 0 "[ . 1 . 2]" 1
411 1 28 ARG H 1 28 ARG HD2 . . 5.500 4.971 4.756 5.203 . 0 0 "[ . 1 . 2]" 1
412 1 28 ARG H 1 28 ARG HD3 . . 5.500 5.357 4.954 5.555 0.055 12 0 "[ . 1 . 2]" 1
413 1 28 ARG H 1 28 ARG HG2 . . 4.100 4.084 3.743 4.165 0.065 4 0 "[ . 1 . 2]" 1
414 1 28 ARG H 1 28 ARG HG3 . . 4.460 3.238 3.081 3.454 . 0 0 "[ . 1 . 2]" 1
415 1 28 ARG H 1 29 VAL H . . 4.590 4.489 4.429 4.560 . 0 0 "[ . 1 . 2]" 1
416 1 28 ARG H 1 29 VAL QG . . 6.620 4.187 3.908 4.431 . 0 0 "[ . 1 . 2]" 1
417 1 28 ARG H 1 53 SER H . . 5.130 4.674 4.416 5.046 . 0 0 "[ . 1 . 2]" 1
418 1 28 ARG HA 1 28 ARG HG2 . . 4.020 2.414 2.283 2.549 . 0 0 "[ . 1 . 2]" 1
419 1 28 ARG HA 1 29 VAL H . . 3.480 2.281 2.174 2.370 . 0 0 "[ . 1 . 2]" 1
420 1 28 ARG HA 1 29 VAL MG1 . . 5.920 3.305 3.005 3.565 . 0 0 "[ . 1 . 2]" 1
421 1 28 ARG HA 1 29 VAL MG2 . . 5.920 3.689 3.234 4.208 . 0 0 "[ . 1 . 2]" 1
422 1 28 ARG HA 1 29 VAL QG . . 6.180 3.066 2.906 3.217 . 0 0 "[ . 1 . 2]" 1
423 1 28 ARG HA 1 52 PRO HA . . 3.880 2.107 1.973 2.281 . 0 0 "[ . 1 . 2]" 1
424 1 28 ARG HA 1 53 SER H . . 3.530 2.755 2.420 3.137 . 0 0 "[ . 1 . 2]" 1
425 1 28 ARG HA 1 54 ASP H . . 5.500 5.305 4.842 5.567 0.067 17 0 "[ . 1 . 2]" 1
426 1 28 ARG HB2 2 16 LEU QD . . 7.540 4.466 3.704 5.120 . 0 0 "[ . 1 . 2]" 1
427 1 28 ARG HB2 1 29 VAL H . . 4.210 3.911 3.728 4.160 . 0 0 "[ . 1 . 2]" 1
428 1 28 ARG HB2 1 50 LEU HB3 . . 4.580 3.276 3.059 3.585 . 0 0 "[ . 1 . 2]" 1
429 1 28 ARG HB3 1 29 VAL H . . 3.820 2.724 2.477 3.087 . 0 0 "[ . 1 . 2]" 1
430 1 28 ARG HB3 1 50 LEU HB3 . . 4.250 2.511 2.268 2.739 . 0 0 "[ . 1 . 2]" 1
431 1 28 ARG HB3 1 51 VAL H . . 4.580 3.567 3.303 3.762 . 0 0 "[ . 1 . 2]" 1
432 1 28 ARG HB3 1 52 PRO HA . . 4.610 3.681 3.036 3.940 . 0 0 "[ . 1 . 2]" 1
433 1 28 ARG HD2 2 16 LEU MD1 . . 6.020 3.406 2.113 4.405 . 0 0 "[ . 1 . 2]" 1
434 1 28 ARG HD2 2 16 LEU MD2 . . 6.020 3.178 2.090 4.208 . 0 0 "[ . 1 . 2]" 1
435 1 28 ARG HD2 1 50 LEU HB3 . . 4.360 3.810 2.771 4.267 . 0 0 "[ . 1 . 2]" 1
436 1 28 ARG HD2 1 50 LEU MD1 . . 7.140 3.959 3.085 5.907 . 0 0 "[ . 1 . 2]" 1
437 1 28 ARG HD2 1 50 LEU MD2 . . 7.140 5.392 3.973 5.950 . 0 0 "[ . 1 . 2]" 1
438 1 28 ARG HD2 1 52 PRO HA . . 5.500 5.018 4.669 5.158 . 0 0 "[ . 1 . 2]" 1
439 1 28 ARG HD3 2 16 LEU MD1 . . 6.020 3.694 2.189 4.995 . 0 0 "[ . 1 . 2]" 1
440 1 28 ARG HD3 1 50 LEU HB3 . . 4.360 2.779 2.238 3.871 . 0 0 "[ . 1 . 2]" 1
441 1 28 ARG HD3 1 50 LEU MD1 . . 7.140 3.791 3.208 4.910 . 0 0 "[ . 1 . 2]" 1
442 1 28 ARG HD3 1 50 LEU MD2 . . 7.140 4.760 3.398 5.745 . 0 0 "[ . 1 . 2]" 1
443 1 28 ARG HD3 1 52 PRO HA . . 5.500 4.426 3.482 4.952 . 0 0 "[ . 1 . 2]" 1
444 1 28 ARG HE 2 17 VAL H . . 5.500 4.151 3.017 5.566 0.066 12 0 "[ . 1 . 2]" 1
445 1 28 ARG HG2 1 29 VAL H . . 4.330 4.015 3.742 4.377 0.047 6 0 "[ . 1 . 2]" 1
446 1 28 ARG HG2 1 52 PRO HA . . 4.070 2.073 1.989 2.144 . 0 0 "[ . 1 . 2]" 1
447 1 28 ARG HG2 1 53 SER H . . 5.020 3.995 3.682 4.199 . 0 0 "[ . 1 . 2]" 1
448 1 28 ARG HG3 1 52 PRO HA . . 5.050 3.361 3.153 3.722 . 0 0 "[ . 1 . 2]" 1
449 1 28 ARG QD 2 16 LEU HA . . 6.220 3.766 3.329 4.241 . 0 0 "[ . 1 . 2]" 1
450 1 28 ARG QD 2 16 LEU QD . . 6.160 2.354 1.968 2.889 . 0 0 "[ . 1 . 2]" 1
451 1 28 ARG QD 2 17 VAL H . . 4.800 4.225 3.814 4.849 0.049 20 0 "[ . 1 . 2]" 1
452 1 28 ARG QD 1 50 LEU HB2 . . 5.050 2.892 2.451 3.681 . 0 0 "[ . 1 . 2]" 1
453 1 28 ARG QD 1 50 LEU HB3 . . 4.680 2.683 2.207 3.471 . 0 0 "[ . 1 . 2]" 1
454 1 28 ARG QD 1 50 LEU QD . . 7.000 3.210 2.949 3.582 . 0 0 "[ . 1 . 2]" 1
455 1 28 ARG QD 1 51 VAL HA . . 6.220 4.082 3.676 4.662 . 0 0 "[ . 1 . 2]" 1
456 1 28 ARG QD 1 52 PRO HA . . 5.500 4.138 3.391 4.419 . 0 0 "[ . 1 . 2]" 1
457 1 29 VAL H 1 50 LEU HB3 . . 4.830 4.392 3.934 4.881 0.051 20 0 "[ . 1 . 2]" 1
458 1 29 VAL H 1 51 VAL H . . 3.730 2.935 2.738 3.168 . 0 0 "[ . 1 . 2]" 1
459 1 29 VAL H 1 51 VAL HB . . 5.280 4.958 4.678 5.196 . 0 0 "[ . 1 . 2]" 1
460 1 29 VAL H 1 51 VAL QG . . 7.100 3.241 3.032 3.428 . 0 0 "[ . 1 . 2]" 1
461 1 29 VAL H 1 52 PRO HA . . 4.390 3.719 3.385 3.950 . 0 0 "[ . 1 . 2]" 1
462 1 29 VAL H 1 53 SER H . . 4.620 4.194 3.629 4.683 0.063 17 0 "[ . 1 . 2]" 1
463 1 29 VAL H 1 53 SER HA . . 5.500 4.910 4.391 5.458 . 0 0 "[ . 1 . 2]" 1
464 1 29 VAL H 1 53 SER QB . . 6.220 4.977 4.068 5.929 . 0 0 "[ . 1 . 2]" 1
465 1 29 VAL HA 1 30 PRO HD2 . . 3.890 2.464 2.359 2.630 . 0 0 "[ . 1 . 2]" 1
466 1 29 VAL HA 1 30 PRO HD3 . . 3.890 2.136 2.069 2.202 . 0 0 "[ . 1 . 2]" 1
467 1 29 VAL HA 1 30 PRO QD . . 4.010 2.011 1.969 2.038 . 0 0 "[ . 1 . 2]" 1
468 1 29 VAL HB 1 30 PRO HD2 . . 4.450 2.619 2.363 2.884 . 0 0 "[ . 1 . 2]" 1
469 1 29 VAL HB 1 30 PRO HD3 . . 4.450 3.726 3.466 3.908 . 0 0 "[ . 1 . 2]" 1
470 1 29 VAL HB 1 30 PRO QG . . 6.240 4.414 4.176 4.715 . 0 0 "[ . 1 . 2]" 1
471 1 29 VAL HB 1 91 MET HB3 . . 5.500 5.284 4.705 5.569 0.069 11 0 "[ . 1 . 2]" 1
472 1 29 VAL HB 1 95 TYR HA . . 4.830 4.832 4.531 4.894 0.064 14 0 "[ . 1 . 2]" 1
473 1 29 VAL MG1 1 30 PRO HD2 . . 6.080 3.591 3.192 3.971 . 0 0 "[ . 1 . 2]" 1
474 1 29 VAL MG1 1 30 PRO HD3 . . 6.080 3.908 3.736 4.235 . 0 0 "[ . 1 . 2]" 1
475 1 29 VAL MG1 1 53 SER HA . . 5.780 3.318 2.555 4.266 . 0 0 "[ . 1 . 2]" 1
476 1 29 VAL MG1 1 91 MET HB3 . . 5.270 3.724 2.979 4.364 . 0 0 "[ . 1 . 2]" 1
477 1 29 VAL MG1 1 95 TYR H . . 6.220 4.450 4.032 4.917 . 0 0 "[ . 1 . 2]" 1
478 1 29 VAL MG1 1 95 TYR HB2 . . 5.000 2.648 2.400 2.935 . 0 0 "[ . 1 . 2]" 1
479 1 29 VAL MG1 1 95 TYR HB3 . . 5.740 2.783 2.489 3.262 . 0 0 "[ . 1 . 2]" 1
480 1 29 VAL MG2 1 30 PRO HD2 . . 6.080 3.950 3.596 4.110 . 0 0 "[ . 1 . 2]" 1
481 1 29 VAL MG2 1 30 PRO HD3 . . 6.080 4.619 4.420 4.727 . 0 0 "[ . 1 . 2]" 1
482 1 29 VAL MG2 1 53 SER HA . . 5.780 3.386 2.800 4.101 . 0 0 "[ . 1 . 2]" 1
483 1 29 VAL MG2 1 91 MET HB3 . . 5.270 2.658 2.328 3.194 . 0 0 "[ . 1 . 2]" 1
484 1 29 VAL MG2 1 95 TYR H . . 6.220 4.313 3.966 4.695 . 0 0 "[ . 1 . 2]" 1
485 1 29 VAL MG2 1 95 TYR HB2 . . 5.000 2.491 2.319 2.749 . 0 0 "[ . 1 . 2]" 1
486 1 29 VAL MG2 1 95 TYR HB3 . . 5.740 3.636 3.225 4.026 . 0 0 "[ . 1 . 2]" 1
487 1 29 VAL QG 1 105 LEU HB2 . . 7.110 4.396 3.521 4.814 . 0 0 "[ . 1 . 2]" 1
488 1 29 VAL QG 1 105 LEU MD2 . . 6.900 3.703 3.172 4.275 . 0 0 "[ . 1 . 2]" 1
489 1 29 VAL QG 1 30 PRO QD . . 6.710 3.092 2.916 3.273 . 0 0 "[ . 1 . 2]" 1
490 1 29 VAL QG 1 31 VAL HA . . 6.840 4.978 4.457 5.236 . 0 0 "[ . 1 . 2]" 1
491 1 29 VAL QG 1 31 VAL HB . . 6.800 4.621 4.226 4.905 . 0 0 "[ . 1 . 2]" 1
492 1 29 VAL QG 1 31 VAL MG1 . . 7.620 4.496 4.074 4.809 . 0 0 "[ . 1 . 2]" 1
493 1 29 VAL QG 1 31 VAL MG2 . . 6.480 2.373 2.029 2.635 . 0 0 "[ . 1 . 2]" 1
494 1 29 VAL QG 1 51 VAL H . . 5.730 3.098 2.875 3.273 . 0 0 "[ . 1 . 2]" 1
495 1 29 VAL QG 1 51 VAL HB . . 5.990 3.926 3.619 4.117 . 0 0 "[ . 1 . 2]" 1
496 1 29 VAL QG 1 51 VAL QG . . 7.840 1.997 1.867 2.156 . 0 0 "[ . 1 . 2]" 1
497 1 29 VAL QG 1 52 PRO HA . . 6.730 3.930 3.718 4.171 . 0 0 "[ . 1 . 2]" 1
498 1 29 VAL QG 1 53 SER H . . 6.510 3.359 3.082 3.974 . 0 0 "[ . 1 . 2]" 1
499 1 29 VAL QG 1 53 SER HA . . 5.630 2.943 2.465 3.611 . 0 0 "[ . 1 . 2]" 1
500 1 29 VAL QG 1 53 SER QB . . 6.810 2.751 2.036 3.511 . 0 0 "[ . 1 . 2]" 1
501 1 29 VAL QG 1 91 MET HB2 . . 6.920 3.822 3.460 4.125 . 0 0 "[ . 1 . 2]" 1
502 1 29 VAL QG 1 91 MET HB3 . . 5.610 2.592 2.250 2.932 . 0 0 "[ . 1 . 2]" 1
503 1 29 VAL QG 1 91 MET HG3 . . 7.350 3.709 3.269 4.106 . 0 0 "[ . 1 . 2]" 1
504 1 29 VAL QG 1 92 GLY H . . 6.760 4.240 3.690 4.744 . 0 0 "[ . 1 . 2]" 1
505 1 29 VAL QG 1 92 GLY HA2 . . 5.800 2.984 2.346 3.604 . 0 0 "[ . 1 . 2]" 1
506 1 29 VAL QG 1 92 GLY HA3 . . 6.760 4.239 3.638 4.850 . 0 0 "[ . 1 . 2]" 1
507 1 29 VAL QG 1 94 LEU QD . . 7.910 4.028 3.740 4.572 . 0 0 "[ . 1 . 2]" 1
508 1 29 VAL QG 1 95 TYR H . . 6.470 3.893 3.638 4.161 . 0 0 "[ . 1 . 2]" 1
509 1 29 VAL QG 1 95 TYR HA . . 7.220 4.005 3.798 4.106 . 0 0 "[ . 1 . 2]" 1
510 1 29 VAL QG 1 95 TYR HB2 . . 5.520 2.267 2.193 2.399 . 0 0 "[ . 1 . 2]" 1
511 1 29 VAL QG 1 95 TYR HB3 . . 5.940 2.694 2.439 3.092 . 0 0 "[ . 1 . 2]" 1
512 1 29 VAL QG 1 96 GLU H . . 7.000 4.574 4.269 4.863 . 0 0 "[ . 1 . 2]" 1
513 1 30 PRO HA 1 31 VAL H . . 3.230 2.205 2.148 2.277 . 0 0 "[ . 1 . 2]" 1
514 1 30 PRO HA 1 51 VAL H . . 4.380 4.260 4.081 4.387 0.007 20 0 "[ . 1 . 2]" 1
515 1 30 PRO HB2 1 104 PHE QD . . 6.150 4.648 3.798 4.947 . 0 0 "[ . 1 . 2]" 1
516 1 30 PRO HB2 1 104 PHE QE . . 6.970 6.800 5.971 7.036 0.066 4 0 "[ . 1 . 2]" 1
517 1 30 PRO HB2 1 31 VAL H . . 4.020 3.835 3.690 3.960 . 0 0 "[ . 1 . 2]" 1
518 1 30 PRO HB2 1 50 LEU QD . . 6.840 3.801 3.289 5.295 . 0 0 "[ . 1 . 2]" 1
519 1 30 PRO HB3 1 31 VAL H . . 4.490 4.277 4.109 4.354 . 0 0 "[ . 1 . 2]" 1
520 1 30 PRO HB3 1 50 LEU QD . . 5.870 2.863 2.299 4.428 . 0 0 "[ . 1 . 2]" 1
521 1 30 PRO QD 1 104 PHE HA . . 5.710 3.529 3.072 4.204 . 0 0 "[ . 1 . 2]" 1
522 1 30 PRO QD 1 31 VAL MG2 . . 6.940 4.211 4.081 4.378 . 0 0 "[ . 1 . 2]" 1
523 1 30 PRO QD 1 50 LEU QD . . 8.260 3.955 3.504 5.137 . 0 0 "[ . 1 . 2]" 1
524 1 30 PRO QG 1 104 PHE HA . . 5.000 2.108 1.951 2.371 . 0 0 "[ . 1 . 2]" 1
525 1 30 PRO QG 1 105 LEU H . . 4.950 3.431 2.883 3.840 . 0 0 "[ . 1 . 2]" 1
526 1 30 PRO QG 1 50 LEU QD . . 8.260 4.246 3.779 5.533 . 0 0 "[ . 1 . 2]" 1
527 1 31 VAL H 1 105 LEU H . . 5.220 4.969 4.842 5.116 . 0 0 "[ . 1 . 2]" 1
528 1 31 VAL H 1 31 VAL HB . . 3.480 2.570 2.425 2.767 . 0 0 "[ . 1 . 2]" 1
529 1 31 VAL H 1 31 VAL MG2 . . 4.470 2.661 2.459 2.811 . 0 0 "[ . 1 . 2]" 1
530 1 31 VAL H 1 32 ILE H . . 4.520 4.432 4.321 4.510 . 0 0 "[ . 1 . 2]" 1
531 1 31 VAL H 1 49 TYR H . . 4.270 3.708 3.400 3.989 . 0 0 "[ . 1 . 2]" 1
532 1 31 VAL H 1 49 TYR HB2 . . 4.340 4.048 3.712 4.392 0.052 9 0 "[ . 1 . 2]" 1
533 1 31 VAL H 1 49 TYR HB3 . . 4.710 4.552 4.123 4.772 0.062 16 0 "[ . 1 . 2]" 1
534 1 31 VAL H 1 50 LEU H . . 4.840 4.850 4.725 4.903 0.063 8 0 "[ . 1 . 2]" 1
535 1 31 VAL H 1 50 LEU QD . . 5.820 3.292 2.883 4.477 . 0 0 "[ . 1 . 2]" 1
536 1 31 VAL H 1 51 VAL H . . 5.040 4.182 3.862 4.435 . 0 0 "[ . 1 . 2]" 1
537 1 31 VAL HA 1 104 PHE HA . . 5.460 5.052 4.580 5.479 0.019 19 0 "[ . 1 . 2]" 1
538 1 31 VAL HA 1 105 LEU H . . 3.950 2.881 2.547 3.168 . 0 0 "[ . 1 . 2]" 1
539 1 31 VAL HA 1 105 LEU HB2 . . 4.550 4.010 3.519 4.599 0.049 16 0 "[ . 1 . 2]" 1
540 1 31 VAL HA 1 106 TYR HA . . 5.100 4.478 4.188 4.840 . 0 0 "[ . 1 . 2]" 1
541 1 31 VAL HA 1 32 ILE H . . 3.110 2.230 2.130 2.301 . 0 0 "[ . 1 . 2]" 1
542 1 31 VAL HA 1 32 ILE HA . . 4.820 4.499 4.453 4.541 . 0 0 "[ . 1 . 2]" 1
543 1 31 VAL HA 1 49 TYR H . . 5.450 5.263 5.045 5.374 . 0 0 "[ . 1 . 2]" 1
544 1 31 VAL HB 1 32 ILE H . . 4.110 3.960 3.799 4.161 0.051 16 0 "[ . 1 . 2]" 1
545 1 31 VAL HB 1 33 VAL QG . . 6.470 3.876 3.297 4.921 . 0 0 "[ . 1 . 2]" 1
546 1 31 VAL HB 1 49 TYR H . . 4.740 4.176 3.722 4.374 . 0 0 "[ . 1 . 2]" 1
547 1 31 VAL HB 1 49 TYR HB2 . . 4.230 3.115 2.684 3.528 . 0 0 "[ . 1 . 2]" 1
548 1 31 VAL HB 1 49 TYR HB3 . . 4.240 3.535 2.807 4.033 . 0 0 "[ . 1 . 2]" 1
549 1 31 VAL HB 1 50 LEU H . . 5.500 5.462 5.119 5.568 0.068 16 0 "[ . 1 . 2]" 1
550 1 31 VAL HB 1 51 VAL H . . 4.400 4.438 4.278 4.467 0.067 3 0 "[ . 1 . 2]" 1
551 1 31 VAL HB 1 51 VAL QG . . 5.910 3.029 2.759 3.524 . 0 0 "[ . 1 . 2]" 1
552 1 31 VAL MG1 1 105 LEU HB3 . . 5.510 2.673 2.237 3.106 . 0 0 "[ . 1 . 2]" 1
553 1 31 VAL MG1 1 106 TYR HA . . 5.580 3.819 3.431 4.388 . 0 0 "[ . 1 . 2]" 1
554 1 31 VAL MG1 1 107 VAL H . . 4.950 3.505 3.329 3.890 . 0 0 "[ . 1 . 2]" 1
555 1 31 VAL MG1 1 32 ILE H . . 4.340 2.361 2.197 2.663 . 0 0 "[ . 1 . 2]" 1
556 1 31 VAL MG1 1 49 TYR H . . 6.520 4.667 4.250 4.896 . 0 0 "[ . 1 . 2]" 1
557 1 31 VAL MG1 1 49 TYR QD . . 8.350 4.730 4.148 5.179 . 0 0 "[ . 1 . 2]" 1
558 1 31 VAL MG1 1 60 PHE HZ . . 4.830 2.274 2.137 2.636 . 0 0 "[ . 1 . 2]" 1
559 1 31 VAL MG1 1 60 PHE QE . . 6.960 2.432 2.103 3.073 . 0 0 "[ . 1 . 2]" 1
560 1 31 VAL MG2 1 105 LEU H . . 5.640 3.913 3.659 4.313 . 0 0 "[ . 1 . 2]" 1
561 1 31 VAL MG2 1 105 LEU HB3 . . 4.990 2.233 2.114 2.496 . 0 0 "[ . 1 . 2]" 1
562 1 31 VAL MG2 1 32 ILE H . . 5.190 4.037 3.945 4.120 . 0 0 "[ . 1 . 2]" 1
563 1 31 VAL MG2 1 49 TYR H . . 6.520 5.318 5.020 5.443 . 0 0 "[ . 1 . 2]" 1
564 1 31 VAL MG2 1 49 TYR HB2 . . 6.520 4.633 4.269 4.978 . 0 0 "[ . 1 . 2]" 1
565 1 31 VAL MG2 1 51 VAL H . . 5.350 3.203 3.038 3.392 . 0 0 "[ . 1 . 2]" 1
566 1 31 VAL MG2 1 51 VAL HB . . 5.430 4.510 4.248 4.847 . 0 0 "[ . 1 . 2]" 1
567 1 31 VAL MG2 1 51 VAL QG . . 6.280 2.044 1.900 2.273 . 0 0 "[ . 1 . 2]" 1
568 1 31 VAL MG2 1 55 ILE MD . . 7.360 5.519 5.167 5.818 . 0 0 "[ . 1 . 2]" 1
569 1 31 VAL MG2 1 60 PHE HZ . . 5.610 3.582 2.864 4.293 . 0 0 "[ . 1 . 2]" 1
570 1 31 VAL MG2 1 60 PHE QE . . 7.680 3.276 2.170 4.056 . 0 0 "[ . 1 . 2]" 1
571 1 31 VAL MG2 1 94 LEU QD . . 6.740 4.116 3.889 4.638 . 0 0 "[ . 1 . 2]" 1
572 1 32 ILE H 1 104 PHE QD . . 7.370 4.074 3.354 4.961 . 0 0 "[ . 1 . 2]" 1
573 1 32 ILE H 1 105 LEU H . . 4.700 4.110 3.710 4.554 . 0 0 "[ . 1 . 2]" 1
574 1 32 ILE H 1 105 LEU HB3 . . 4.600 3.922 3.553 4.557 . 0 0 "[ . 1 . 2]" 1
575 1 32 ILE H 1 106 TYR HA . . 4.370 2.868 2.540 3.287 . 0 0 "[ . 1 . 2]" 1
576 1 32 ILE H 1 106 TYR HB3 . . 5.350 4.789 4.405 5.210 . 0 0 "[ . 1 . 2]" 1
577 1 32 ILE H 1 107 VAL H . . 4.000 3.533 3.287 3.871 . 0 0 "[ . 1 . 2]" 1
578 1 32 ILE H 1 107 VAL HB . . 5.500 5.142 4.225 5.552 0.052 4 0 "[ . 1 . 2]" 1
579 1 32 ILE H 1 32 ILE HB . . 3.590 2.615 2.486 2.881 . 0 0 "[ . 1 . 2]" 1
580 1 32 ILE H 1 32 ILE MD . . 5.200 3.890 3.592 4.210 . 0 0 "[ . 1 . 2]" 1
581 1 32 ILE H 1 32 ILE QG . . 4.560 2.942 2.691 3.146 . 0 0 "[ . 1 . 2]" 1
582 1 32 ILE H 1 33 VAL H . . 4.950 4.276 4.090 4.488 . 0 0 "[ . 1 . 2]" 1
583 1 32 ILE H 1 33 VAL QG . . 6.710 4.123 3.735 4.915 . 0 0 "[ . 1 . 2]" 1
584 1 32 ILE HA 1 32 ILE MD . . 4.780 2.354 2.080 3.824 . 0 0 "[ . 1 . 2]" 1
585 1 32 ILE HA 1 33 VAL H . . 3.570 2.200 2.095 2.306 . 0 0 "[ . 1 . 2]" 1
586 1 32 ILE HA 1 49 TYR QD . . 6.410 4.742 2.993 5.575 . 0 0 "[ . 1 . 2]" 1
587 1 32 ILE HB 1 106 TYR HA . . 4.140 2.726 2.174 3.595 . 0 0 "[ . 1 . 2]" 1
588 1 32 ILE HG12 1 104 PHE QD . . 6.810 2.882 2.146 5.006 . 0 0 "[ . 1 . 2]" 1
589 1 32 ILE HG13 1 104 PHE QD . . 6.810 3.133 2.400 4.400 . 0 0 "[ . 1 . 2]" 1
590 1 32 ILE MD 1 104 PHE QE . . 7.590 4.511 2.348 5.824 . 0 0 "[ . 1 . 2]" 1
591 1 32 ILE MD 2 12 TRP H . . 6.520 6.266 5.787 6.610 0.090 20 0 "[ . 1 . 2]" 1
592 1 32 ILE MD 2 12 TRP HE3 . . 5.260 2.973 2.567 3.555 . 0 0 "[ . 1 . 2]" 1
593 1 32 ILE MD 2 12 TRP HH2 . . 5.310 4.311 3.347 5.205 . 0 0 "[ . 1 . 2]" 1
594 1 32 ILE MD 2 12 TRP HZ2 . . 6.520 5.248 4.148 6.063 . 0 0 "[ . 1 . 2]" 1
595 1 32 ILE MD 2 12 TRP HZ3 . . 4.750 3.002 2.495 3.732 . 0 0 "[ . 1 . 2]" 1
596 1 32 ILE MD 1 33 VAL H . . 5.260 3.998 3.612 5.238 . 0 0 "[ . 1 . 2]" 1
597 1 32 ILE MD 1 46 LYS HA . . 6.010 5.307 4.749 5.788 . 0 0 "[ . 1 . 2]" 1
598 1 32 ILE MD 1 47 ARG H . . 5.360 4.614 3.872 5.394 0.034 13 0 "[ . 1 . 2]" 1
599 1 32 ILE MD 1 48 LYS HA . . 5.100 2.348 1.978 4.092 . 0 0 "[ . 1 . 2]" 1
600 1 32 ILE MD 1 48 LYS QG . . 6.080 2.569 2.087 3.471 . 0 0 "[ . 1 . 2]" 1
601 1 32 ILE MD 1 49 TYR H . . 5.320 3.325 2.787 5.377 0.057 17 0 "[ . 1 . 2]" 1
602 1 32 ILE QG 1 104 PHE QD . . 6.900 2.568 2.082 3.611 . 0 0 "[ . 1 . 2]" 1
603 1 32 ILE MG 2 12 TRP HE3 . . 5.690 3.774 3.144 4.238 . 0 0 "[ . 1 . 2]" 1
604 1 32 ILE MG 2 12 TRP HH2 . . 4.800 2.929 2.563 3.216 . 0 0 "[ . 1 . 2]" 1
605 1 32 ILE MG 2 12 TRP HZ2 . . 5.770 4.420 4.140 4.873 . 0 0 "[ . 1 . 2]" 1
606 1 32 ILE MG 2 12 TRP HZ3 . . 4.660 2.270 1.996 2.557 . 0 0 "[ . 1 . 2]" 1
607 1 32 ILE MG 1 33 VAL H . . 4.940 2.810 2.487 3.131 . 0 0 "[ . 1 . 2]" 1
608 1 33 VAL H 1 33 VAL HB . . 3.770 2.848 2.341 3.726 . 0 0 "[ . 1 . 2]" 1
609 1 33 VAL H 1 34 GLU H . . 4.640 4.342 4.118 4.485 . 0 0 "[ . 1 . 2]" 1
610 1 33 VAL H 1 49 TYR H . . 4.560 4.449 4.100 4.608 0.048 11 0 "[ . 1 . 2]" 1
611 1 33 VAL H 1 49 TYR QD . . 6.740 4.460 2.545 5.311 . 0 0 "[ . 1 . 2]" 1
612 1 33 VAL H 1 49 TYR QE . . 6.820 5.438 3.214 6.372 . 0 0 "[ . 1 . 2]" 1
613 1 33 VAL HA 1 107 VAL H . . 4.050 3.171 2.714 3.445 . 0 0 "[ . 1 . 2]" 1
614 1 33 VAL HA 1 107 VAL HB . . 5.280 4.387 2.807 5.324 0.044 20 0 "[ . 1 . 2]" 1
615 1 33 VAL HA 1 107 VAL QG . . 6.680 2.837 2.211 4.030 . 0 0 "[ . 1 . 2]" 1
616 1 33 VAL HA 1 34 GLU H . . 3.070 2.255 2.189 2.334 . 0 0 "[ . 1 . 2]" 1
617 1 33 VAL HA 1 34 GLU HB2 . . 5.330 4.583 4.231 4.882 . 0 0 "[ . 1 . 2]" 1
618 1 33 VAL HB 1 107 VAL QG . . 7.010 4.017 2.217 5.751 . 0 0 "[ . 1 . 2]" 1
619 1 33 VAL HB 1 34 GLU H . . 4.520 4.246 3.419 4.560 0.040 8 0 "[ . 1 . 2]" 1
620 1 33 VAL HB 1 44 ILE MD . . 5.300 3.354 2.206 5.361 0.061 11 0 "[ . 1 . 2]" 1
621 1 33 VAL HB 1 44 ILE MG . . 5.260 3.928 2.777 5.324 0.064 6 0 "[ . 1 . 2]" 1
622 1 33 VAL HB 1 49 TYR QD . . 6.950 4.339 2.379 6.288 . 0 0 "[ . 1 . 2]" 1
623 1 33 VAL HB 1 49 TYR QE . . 6.890 4.793 2.271 6.494 . 0 0 "[ . 1 . 2]" 1
624 1 33 VAL MG1 1 109 TYR H . . 6.520 5.117 3.907 6.592 0.072 16 0 "[ . 1 . 2]" 1
625 1 33 VAL MG1 1 34 GLU H . . 5.910 3.552 2.730 4.362 . 0 0 "[ . 1 . 2]" 1
626 1 33 VAL MG1 1 49 TYR QD . . 6.960 3.946 2.343 5.404 . 0 0 "[ . 1 . 2]" 1
627 1 33 VAL MG1 1 49 TYR QE . . 7.430 4.125 2.651 5.724 . 0 0 "[ . 1 . 2]" 1
628 1 33 VAL MG1 1 64 ILE HG12 . . 6.470 3.318 2.634 4.780 . 0 0 "[ . 1 . 2]" 1
629 1 33 VAL MG2 1 109 TYR H . . 6.520 5.814 3.833 6.590 0.070 9 0 "[ . 1 . 2]" 1
630 1 33 VAL MG2 1 34 GLU H . . 5.910 3.921 2.471 4.423 . 0 0 "[ . 1 . 2]" 1
631 1 33 VAL MG2 1 49 TYR QD . . 6.960 3.380 2.272 4.899 . 0 0 "[ . 1 . 2]" 1
632 1 33 VAL MG2 1 49 TYR QE . . 7.430 4.085 3.043 5.402 . 0 0 "[ . 1 . 2]" 1
633 1 33 VAL MG2 1 64 ILE HG12 . . 6.470 3.323 2.826 4.671 . 0 0 "[ . 1 . 2]" 1
634 1 33 VAL QG 1 107 VAL HB . . 6.640 3.871 2.299 5.050 . 0 0 "[ . 1 . 2]" 1
635 1 33 VAL QG 1 107 VAL QG . . 7.330 2.376 1.871 3.298 . 0 0 "[ . 1 . 2]" 1
636 1 33 VAL QG 1 108 ALA HA . . 7.130 4.170 3.690 5.196 . 0 0 "[ . 1 . 2]" 1
637 1 33 VAL QG 1 109 TYR QD . . 7.670 2.443 2.097 3.670 . 0 0 "[ . 1 . 2]" 1
638 1 33 VAL QG 1 109 TYR QE . . 8.210 2.691 2.305 3.605 . 0 0 "[ . 1 . 2]" 1
639 1 33 VAL QG 1 34 GLU H . . 6.160 3.077 2.453 3.695 . 0 0 "[ . 1 . 2]" 1
640 1 33 VAL QG 1 34 GLU HA . . 7.130 3.787 3.363 4.274 . 0 0 "[ . 1 . 2]" 1
641 1 33 VAL QG 1 34 GLU QG . . 7.830 4.374 3.999 4.634 . 0 0 "[ . 1 . 2]" 1
642 1 33 VAL QG 1 35 LYS H . . 7.540 4.937 4.350 5.702 . 0 0 "[ . 1 . 2]" 1
643 1 33 VAL QG 1 44 ILE HB . . 6.610 4.062 3.341 4.522 . 0 0 "[ . 1 . 2]" 1
644 1 33 VAL QG 1 44 ILE MD . . 6.470 2.389 2.117 3.198 . 0 0 "[ . 1 . 2]" 1
645 1 33 VAL QG 1 44 ILE QG . . 8.020 3.717 2.012 4.555 . 0 0 "[ . 1 . 2]" 1
646 1 33 VAL QG 1 44 ILE MG . . 6.260 2.622 2.168 3.187 . 0 0 "[ . 1 . 2]" 1
647 1 33 VAL QG 1 49 TYR H . . 7.540 4.069 3.669 4.496 . 0 0 "[ . 1 . 2]" 1
648 1 33 VAL QG 1 49 TYR HB3 . . 6.530 3.781 2.943 4.401 . 0 0 "[ . 1 . 2]" 1
649 1 33 VAL QG 1 49 TYR QE . . 7.780 3.488 2.636 4.707 . 0 0 "[ . 1 . 2]" 1
650 1 33 VAL QG 1 60 PHE HZ . . 5.560 2.799 2.144 4.227 . 0 0 "[ . 1 . 2]" 1
651 1 33 VAL QG 1 60 PHE QD . . 8.840 4.798 4.423 5.867 . 0 0 "[ . 1 . 2]" 1
652 1 33 VAL QG 1 60 PHE QE . . 8.010 3.305 2.701 4.448 . 0 0 "[ . 1 . 2]" 1
653 1 33 VAL QG 1 64 ILE HB . . 7.310 4.672 4.300 5.418 . 0 0 "[ . 1 . 2]" 1
654 1 33 VAL QG 1 64 ILE HG12 . . 6.380 2.933 2.482 4.208 . 0 0 "[ . 1 . 2]" 1
655 1 33 VAL QG 1 64 ILE HG13 . . 6.070 4.053 3.554 5.261 . 0 0 "[ . 1 . 2]" 1
656 1 33 VAL QG 1 64 ILE MD . . 6.420 2.577 2.003 3.776 . 0 0 "[ . 1 . 2]" 1
657 1 33 VAL QG 1 64 ILE MG . . 6.670 2.822 2.326 3.396 . 0 0 "[ . 1 . 2]" 1
658 1 33 VAL QG 1 68 ILE MG . . 7.270 4.106 3.656 4.706 . 0 0 "[ . 1 . 2]" 1
659 1 33 VAL QG 1 78 LEU QD . . 7.810 3.192 2.443 3.715 . 0 0 "[ . 1 . 2]" 1
660 1 34 GLU H 1 107 VAL H . . 5.000 4.162 3.946 4.428 . 0 0 "[ . 1 . 2]" 1
661 1 34 GLU H 1 107 VAL QG . . 6.740 3.945 3.450 4.723 . 0 0 "[ . 1 . 2]" 1
662 1 34 GLU H 1 108 ALA H . . 4.900 4.888 4.775 4.963 0.063 6 0 "[ . 1 . 2]" 1
663 1 34 GLU H 1 108 ALA HA . . 3.500 2.653 2.446 2.801 . 0 0 "[ . 1 . 2]" 1
664 1 34 GLU H 1 108 ALA MB . . 5.120 4.094 3.792 4.335 . 0 0 "[ . 1 . 2]" 1
665 1 34 GLU H 1 109 TYR H . . 4.190 3.978 3.728 4.167 . 0 0 "[ . 1 . 2]" 1
666 1 34 GLU H 1 109 TYR QD . . 6.420 3.459 3.184 3.844 . 0 0 "[ . 1 . 2]" 1
667 1 34 GLU H 1 34 GLU HB2 . . 3.840 2.636 2.423 2.863 . 0 0 "[ . 1 . 2]" 1
668 1 34 GLU H 1 34 GLU QG . . 5.010 3.232 2.850 3.533 . 0 0 "[ . 1 . 2]" 1
669 1 34 GLU HA 1 109 TYR QE . . 6.510 3.525 2.883 4.051 . 0 0 "[ . 1 . 2]" 1
670 1 34 GLU HA 1 35 LYS H . . 3.120 2.317 2.166 2.407 . 0 0 "[ . 1 . 2]" 1
671 1 34 GLU HA 1 35 LYS QB . . 5.090 4.195 3.931 4.488 . 0 0 "[ . 1 . 2]" 1
672 1 34 GLU HA 1 44 ILE H . . 5.500 4.903 4.270 5.555 0.055 15 0 "[ . 1 . 2]" 1
673 1 34 GLU HA 1 44 ILE MG . . 5.000 2.516 2.015 3.313 . 0 0 "[ . 1 . 2]" 1
674 1 34 GLU HB2 1 108 ALA MB . . 5.380 3.943 3.497 4.443 . 0 0 "[ . 1 . 2]" 1
675 1 34 GLU HB2 1 35 LYS H . . 4.370 3.964 3.685 4.211 . 0 0 "[ . 1 . 2]" 1
676 1 34 GLU HB3 1 35 LYS H . . 3.810 2.794 2.489 3.058 . 0 0 "[ . 1 . 2]" 1
677 1 34 GLU HB3 1 46 LYS QE . . 6.130 5.763 4.862 6.204 0.074 18 0 "[ . 1 . 2]" 1
678 1 34 GLU QG 1 107 VAL H . . 5.940 5.178 4.705 5.653 . 0 0 "[ . 1 . 2]" 1
679 1 34 GLU QG 2 12 TRP HH2 . . 4.540 3.238 2.830 3.959 . 0 0 "[ . 1 . 2]" 1
680 1 34 GLU QG 2 12 TRP HZ3 . . 5.260 3.883 3.430 4.635 . 0 0 "[ . 1 . 2]" 1
681 1 34 GLU QG 1 35 LYS H . . 5.600 4.180 3.797 4.543 . 0 0 "[ . 1 . 2]" 1
682 1 34 GLU QG 1 46 LYS QE . . 6.640 4.756 3.712 5.589 . 0 0 "[ . 1 . 2]" 1
683 1 35 LYS H 1 109 TYR QD . . 7.190 4.563 4.262 4.913 . 0 0 "[ . 1 . 2]" 1
684 1 35 LYS H 1 109 TYR QE . . 6.200 3.645 3.220 4.218 . 0 0 "[ . 1 . 2]" 1
685 1 35 LYS H 1 35 LYS HB2 . . 3.750 3.222 2.429 3.797 0.047 17 0 "[ . 1 . 2]" 1
686 1 35 LYS H 1 35 LYS HB3 . . 3.750 2.674 2.412 3.005 . 0 0 "[ . 1 . 2]" 1
687 1 35 LYS H 1 35 LYS HG2 . . 4.700 3.961 2.661 4.533 . 0 0 "[ . 1 . 2]" 1
688 1 35 LYS H 1 35 LYS HG3 . . 4.700 3.369 2.080 4.691 . 0 0 "[ . 1 . 2]" 1
689 1 35 LYS H 1 35 LYS QG . . 4.990 3.073 2.066 4.074 . 0 0 "[ . 1 . 2]" 1
690 1 35 LYS H 1 36 VAL H . . 4.620 4.612 4.560 4.657 0.037 7 0 "[ . 1 . 2]" 1
691 1 35 LYS H 1 44 ILE MG . . 5.180 2.899 2.156 3.722 . 0 0 "[ . 1 . 2]" 1
692 1 35 LYS HA 1 109 TYR H . . 3.400 2.699 2.351 3.061 . 0 0 "[ . 1 . 2]" 1
693 1 35 LYS HA 1 109 TYR QD . . 6.410 3.294 2.755 3.585 . 0 0 "[ . 1 . 2]" 1
694 1 35 LYS HA 1 109 TYR QE . . 6.340 3.518 2.969 4.067 . 0 0 "[ . 1 . 2]" 1
695 1 35 LYS HA 1 35 LYS QE . . 5.800 5.135 3.877 5.721 . 0 0 "[ . 1 . 2]" 1
696 1 35 LYS HA 1 36 VAL H . . 3.040 2.277 2.208 2.396 . 0 0 "[ . 1 . 2]" 1
697 1 35 LYS HA 1 36 VAL QG . . 6.330 3.689 3.521 3.896 . 0 0 "[ . 1 . 2]" 1
698 1 35 LYS HA 1 41 ILE MG . . 6.130 4.402 4.035 4.864 . 0 0 "[ . 1 . 2]" 1
699 1 35 LYS HD2 1 39 SER H . . 4.650 3.923 3.098 4.702 0.052 14 0 "[ . 1 . 2]" 1
700 1 35 LYS HD2 1 41 ILE MG . . 5.240 4.378 2.457 5.218 . 0 0 "[ . 1 . 2]" 1
701 1 35 LYS HD3 1 39 SER H . . 4.650 3.575 2.774 4.721 0.071 20 0 "[ . 1 . 2]" 1
702 1 35 LYS HD3 1 41 ILE MG . . 5.240 3.318 2.636 3.906 . 0 0 "[ . 1 . 2]" 1
703 1 35 LYS QB 1 109 TYR QD . . 7.900 3.885 3.242 4.454 . 0 0 "[ . 1 . 2]" 1
704 1 35 LYS QB 1 109 TYR QE . . 7.030 2.875 2.426 3.437 . 0 0 "[ . 1 . 2]" 1
705 1 35 LYS QB 1 36 VAL H . . 5.190 3.142 2.425 3.933 . 0 0 "[ . 1 . 2]" 1
706 1 35 LYS QB 1 44 ILE H . . 4.700 3.598 2.782 4.654 . 0 0 "[ . 1 . 2]" 1
707 1 35 LYS QB 1 44 ILE HB . . 5.650 4.485 3.286 5.655 0.005 5 0 "[ . 1 . 2]" 1
708 1 35 LYS QB 1 44 ILE MG . . 5.490 3.059 2.178 3.993 . 0 0 "[ . 1 . 2]" 1
709 1 35 LYS QD 1 36 VAL H . . 4.630 3.515 2.930 4.517 . 0 0 "[ . 1 . 2]" 1
710 1 35 LYS QD 1 36 VAL HB . . 5.800 4.415 3.651 5.256 . 0 0 "[ . 1 . 2]" 1
711 1 35 LYS QD 1 36 VAL QG . . 7.360 4.269 3.819 5.119 . 0 0 "[ . 1 . 2]" 1
712 1 35 LYS QD 1 39 SER H . . 4.730 3.226 2.607 3.658 . 0 0 "[ . 1 . 2]" 1
713 1 35 LYS QD 1 39 SER QB . . 5.830 2.624 2.055 4.081 . 0 0 "[ . 1 . 2]" 1
714 1 35 LYS QD 1 41 ILE H . . 5.100 4.630 3.684 5.170 0.070 9 0 "[ . 1 . 2]" 1
715 1 35 LYS QD 1 41 ILE MG . . 5.280 3.152 2.390 3.802 . 0 0 "[ . 1 . 2]" 1
716 1 35 LYS QE 1 36 VAL H . . 5.900 5.156 3.509 5.919 0.019 5 0 "[ . 1 . 2]" 1
717 1 35 LYS QE 1 37 SER HA . . 5.630 3.768 2.356 4.994 . 0 0 "[ . 1 . 2]" 1
718 1 35 LYS QE 1 39 SER H . . 4.540 3.940 1.903 4.614 0.074 11 0 "[ . 1 . 2]" 1
719 1 35 LYS QE 1 41 ILE H . . 5.550 5.118 3.751 5.611 0.061 12 0 "[ . 1 . 2]" 1
720 1 35 LYS QE 1 41 ILE MG . . 5.960 3.861 2.219 4.814 . 0 0 "[ . 1 . 2]" 1
721 1 35 LYS QG 1 109 TYR QD . . 8.340 4.563 3.304 5.725 . 0 0 "[ . 1 . 2]" 1
722 1 35 LYS QG 1 109 TYR QE . . 7.660 3.591 2.602 4.817 . 0 0 "[ . 1 . 2]" 1
723 1 35 LYS QG 1 36 VAL H . . 4.650 3.490 2.172 4.446 . 0 0 "[ . 1 . 2]" 1
724 1 35 LYS QG 1 41 ILE MG . . 5.580 3.097 2.135 5.000 . 0 0 "[ . 1 . 2]" 1
725 1 35 LYS QG 1 44 ILE H . . 5.300 3.820 2.947 5.315 0.015 6 0 "[ . 1 . 2]" 1
726 1 36 VAL H 1 108 ALA MB . . 5.520 4.158 3.674 4.523 . 0 0 "[ . 1 . 2]" 1
727 1 36 VAL H 1 109 TYR H . . 3.940 3.390 3.015 3.709 . 0 0 "[ . 1 . 2]" 1
728 1 36 VAL H 1 109 TYR QD . . 6.590 4.622 4.349 4.896 . 0 0 "[ . 1 . 2]" 1
729 1 36 VAL H 1 109 TYR QE . . 6.850 5.180 4.831 5.487 . 0 0 "[ . 1 . 2]" 1
730 1 36 VAL H 1 110 SER QB . . 5.060 3.500 2.880 4.731 . 0 0 "[ . 1 . 2]" 1
731 1 36 VAL H 1 36 VAL HB . . 3.590 2.318 2.122 2.541 . 0 0 "[ . 1 . 2]" 1
732 1 36 VAL H 1 37 SER H . . 4.570 4.557 4.352 4.627 0.057 5 0 "[ . 1 . 2]" 1
733 1 36 VAL H 1 39 SER H . . 5.500 5.032 4.468 5.557 0.057 1 0 "[ . 1 . 2]" 1
734 1 36 VAL H 1 39 SER QB . . 5.440 3.676 2.886 5.369 . 0 0 "[ . 1 . 2]" 1
735 1 36 VAL HA 1 108 ALA MB . . 5.260 3.898 3.420 4.339 . 0 0 "[ . 1 . 2]" 1
736 1 36 VAL HA 1 37 SER H . . 2.940 2.222 2.122 2.298 . 0 0 "[ . 1 . 2]" 1
737 1 36 VAL HA 1 37 SER HA . . 4.890 4.406 4.320 4.471 . 0 0 "[ . 1 . 2]" 1
738 1 36 VAL HA 1 37 SER QB . . 5.360 4.449 3.895 4.891 . 0 0 "[ . 1 . 2]" 1
739 1 36 VAL HB 1 110 SER HB2 . . 4.370 3.128 2.186 4.427 0.057 1 0 "[ . 1 . 2]" 1
740 1 36 VAL HB 1 110 SER HB3 . . 4.370 2.870 2.130 4.190 . 0 0 "[ . 1 . 2]" 1
741 1 36 VAL HB 1 110 SER QB . . 4.600 2.319 2.113 3.394 . 0 0 "[ . 1 . 2]" 1
742 1 36 VAL HB 1 111 GLY H . . 5.500 4.913 4.599 5.460 . 0 0 "[ . 1 . 2]" 1
743 1 36 VAL HB 1 37 SER H . . 4.480 4.383 4.186 4.525 0.045 7 0 "[ . 1 . 2]" 1
744 1 36 VAL HB 1 39 SER H . . 4.790 4.280 3.794 4.827 0.037 12 0 "[ . 1 . 2]" 1
745 1 36 VAL HB 1 39 SER QB . . 5.130 2.952 2.187 4.752 . 0 0 "[ . 1 . 2]" 1
746 1 36 VAL MG1 1 110 SER H . . 6.260 6.020 5.563 6.326 0.066 14 0 "[ . 1 . 2]" 1
747 1 36 VAL MG1 1 110 SER HB2 . . 5.560 3.789 3.081 4.973 . 0 0 "[ . 1 . 2]" 1
748 1 36 VAL MG1 1 110 SER HB3 . . 5.560 3.661 2.819 4.670 . 0 0 "[ . 1 . 2]" 1
749 1 36 VAL MG1 1 37 SER H . . 5.510 2.929 2.631 3.283 . 0 0 "[ . 1 . 2]" 1
750 1 36 VAL MG2 1 110 SER H . . 6.260 4.213 3.924 4.469 . 0 0 "[ . 1 . 2]" 1
751 1 36 VAL MG2 1 110 SER HB2 . . 5.560 3.378 2.248 4.303 . 0 0 "[ . 1 . 2]" 1
752 1 36 VAL MG2 1 110 SER HB3 . . 5.560 2.839 2.116 4.229 . 0 0 "[ . 1 . 2]" 1
753 1 36 VAL MG2 1 37 SER H . . 5.510 4.012 3.782 4.170 . 0 0 "[ . 1 . 2]" 1
754 1 36 VAL QG 1 108 ALA HA . . 6.920 4.034 3.658 4.571 . 0 0 "[ . 1 . 2]" 1
755 1 36 VAL QG 1 108 ALA MB . . 6.140 2.339 2.000 2.743 . 0 0 "[ . 1 . 2]" 1
756 1 36 VAL QG 1 109 TYR H . . 6.040 2.998 2.602 3.490 . 0 0 "[ . 1 . 2]" 1
757 1 36 VAL QG 1 109 TYR HA . . 6.570 3.806 3.453 4.113 . 0 0 "[ . 1 . 2]" 1
758 1 36 VAL QG 1 110 SER H . . 6.210 4.134 3.862 4.383 . 0 0 "[ . 1 . 2]" 1
759 1 36 VAL QG 1 110 SER HA . . 6.430 3.708 3.539 4.197 . 0 0 "[ . 1 . 2]" 1
760 1 36 VAL QG 1 110 SER QB . . 6.170 2.348 2.053 3.477 . 0 0 "[ . 1 . 2]" 1
761 1 36 VAL QG 1 37 SER H . . 5.890 2.856 2.594 3.135 . 0 0 "[ . 1 . 2]" 1
762 1 36 VAL QG 1 39 SER H . . 6.000 3.619 3.073 4.198 . 0 0 "[ . 1 . 2]" 1
763 1 36 VAL QG 1 39 SER QB . . 6.590 3.271 2.365 4.759 . 0 0 "[ . 1 . 2]" 1
764 1 36 VAL QG 1 79 PHE HB2 . . 6.840 4.358 3.841 4.940 . 0 0 "[ . 1 . 2]" 1
765 1 36 VAL QG 1 79 PHE QD . . 8.030 3.546 2.533 4.430 . 0 0 "[ . 1 . 2]" 1
766 1 36 VAL QG 1 79 PHE QE . . 8.470 3.923 2.525 5.206 . 0 0 "[ . 1 . 2]" 1
767 1 37 SER HA 1 38 GLY QA . . 5.970 3.974 3.910 4.087 . 0 0 "[ . 1 . 2]" 1
768 1 38 GLY H 1 39 SER H . . 4.100 2.731 2.372 3.111 . 0 0 "[ . 1 . 2]" 1
769 1 38 GLY QA 1 39 SER HA . . 5.380 4.080 3.977 4.141 . 0 0 "[ . 1 . 2]" 1
770 1 39 SER H 1 39 SER HB2 . . 3.620 2.530 2.217 3.604 . 0 0 "[ . 1 . 2]" 1
771 1 39 SER H 1 39 SER HB3 . . 3.620 2.961 2.456 3.650 0.030 3 0 "[ . 1 . 2]" 1
772 1 39 SER H 1 39 SER QB . . 3.890 2.337 2.141 2.888 . 0 0 "[ . 1 . 2]" 1
773 1 39 SER H 1 41 ILE H . . 5.500 5.181 4.747 5.523 0.023 3 0 "[ . 1 . 2]" 1
774 1 39 SER H 1 41 ILE MG . . 5.920 4.599 4.145 5.137 . 0 0 "[ . 1 . 2]" 1
775 1 39 SER HA 1 41 ILE MG . . 5.880 4.266 3.924 4.736 . 0 0 "[ . 1 . 2]" 1
776 1 39 SER HB2 1 41 ILE MG . . 5.370 3.215 2.163 3.993 . 0 0 "[ . 1 . 2]" 1
777 1 39 SER HB3 1 41 ILE MG . . 5.370 2.443 1.973 3.648 . 0 0 "[ . 1 . 2]" 1
778 1 39 SER QB 1 41 ILE H . . 4.590 3.026 2.493 3.845 . 0 0 "[ . 1 . 2]" 1
779 1 39 SER QB 1 41 ILE MG . . 5.580 2.251 1.929 3.058 . 0 0 "[ . 1 . 2]" 1
780 1 40 GLN H 1 41 ILE H . . 4.000 2.737 2.280 2.961 . 0 0 "[ . 1 . 2]" 1
781 1 40 GLN HA 1 40 GLN HG2 . . 3.890 2.969 2.400 3.824 . 0 0 "[ . 1 . 2]" 1
782 1 40 GLN HA 1 40 GLN HG3 . . 3.890 3.099 2.327 3.778 . 0 0 "[ . 1 . 2]" 1
783 1 40 GLN HA 1 41 ILE H . . 3.470 3.428 3.299 3.508 0.038 3 0 "[ . 1 . 2]" 1
784 1 40 GLN HB2 1 41 ILE H . . 4.380 3.565 2.838 4.253 . 0 0 "[ . 1 . 2]" 1
785 1 40 GLN HB3 1 41 ILE H . . 4.380 3.798 2.938 4.369 . 0 0 "[ . 1 . 2]" 1
786 1 40 GLN QB 1 41 ILE H . . 4.470 3.167 2.781 3.562 . 0 0 "[ . 1 . 2]" 1
787 1 40 GLN QE 1 41 ILE H . . 5.780 5.453 4.582 5.860 0.080 10 0 "[ . 1 . 2]" 1
788 1 40 GLN QG 1 41 ILE H . . 5.600 4.570 3.795 5.019 . 0 0 "[ . 1 . 2]" 1
789 1 41 ILE H 1 109 TYR QE . . 7.630 5.826 5.410 6.524 . 0 0 "[ . 1 . 2]" 1
790 1 41 ILE H 1 111 GLY HA3 . . 5.050 4.017 3.059 5.031 . 0 0 "[ . 1 . 2]" 1
791 1 41 ILE H 1 41 ILE HB . . 3.090 2.490 2.250 2.825 . 0 0 "[ . 1 . 2]" 1
792 1 41 ILE H 1 41 ILE MD . . 5.220 4.128 3.840 4.548 . 0 0 "[ . 1 . 2]" 1
793 1 41 ILE H 1 41 ILE MG . . 3.960 2.079 1.872 2.326 . 0 0 "[ . 1 . 2]" 1
794 1 41 ILE H 1 42 VAL H . . 4.750 4.664 4.611 4.725 . 0 0 "[ . 1 . 2]" 1
795 1 41 ILE HA 1 41 ILE HG12 . . 3.850 3.740 3.368 3.831 . 0 0 "[ . 1 . 2]" 1
796 1 41 ILE HA 1 41 ILE HG13 . . 3.690 3.104 2.399 3.313 . 0 0 "[ . 1 . 2]" 1
797 1 41 ILE HA 1 42 VAL H . . 2.880 2.373 2.292 2.540 . 0 0 "[ . 1 . 2]" 1
798 1 41 ILE HA 1 42 VAL HA . . 4.420 4.313 4.238 4.368 . 0 0 "[ . 1 . 2]" 1
799 1 41 ILE HA 1 42 VAL MG1 . . 5.060 3.713 3.516 4.033 . 0 0 "[ . 1 . 2]" 1
800 1 41 ILE HB 1 109 TYR QD . . 7.630 5.093 4.340 6.344 . 0 0 "[ . 1 . 2]" 1
801 1 41 ILE HB 1 111 GLY H . . 3.930 3.399 2.578 3.986 0.056 3 0 "[ . 1 . 2]" 1
802 1 41 ILE HB 1 111 GLY HA3 . . 4.250 2.360 2.034 3.264 . 0 0 "[ . 1 . 2]" 1
803 1 41 ILE HB 1 42 VAL H . . 4.490 3.935 3.836 4.028 . 0 0 "[ . 1 . 2]" 1
804 1 41 ILE HB 1 74 LYS HB2 . . 4.940 4.988 4.915 5.003 0.063 7 0 "[ . 1 . 2]" 1
805 1 41 ILE HG12 1 109 TYR QD . . 6.490 3.577 2.725 4.637 . 0 0 "[ . 1 . 2]" 1
806 1 41 ILE HG12 1 109 TYR QE . . 5.860 2.921 2.224 4.485 . 0 0 "[ . 1 . 2]" 1
807 1 41 ILE HG12 1 111 GLY H . . 4.710 4.579 3.975 4.775 0.065 14 0 "[ . 1 . 2]" 1
808 1 41 ILE HG12 1 42 VAL H . . 3.810 3.660 2.260 3.870 0.060 15 0 "[ . 1 . 2]" 1
809 1 41 ILE HG12 1 42 VAL MG1 . . 6.290 5.157 3.987 5.459 . 0 0 "[ . 1 . 2]" 1
810 1 41 ILE HG12 1 42 VAL MG2 . . 4.600 3.728 2.611 4.174 . 0 0 "[ . 1 . 2]" 1
811 1 41 ILE HG12 1 68 ILE MD . . 5.390 3.043 2.416 4.332 . 0 0 "[ . 1 . 2]" 1
812 1 41 ILE HG13 1 109 TYR QD . . 7.630 4.460 3.878 5.562 . 0 0 "[ . 1 . 2]" 1
813 1 41 ILE HG13 1 109 TYR QE . . 5.930 2.829 2.209 4.647 . 0 0 "[ . 1 . 2]" 1
814 1 41 ILE HG13 1 42 VAL H . . 3.080 2.262 1.921 2.476 . 0 0 "[ . 1 . 2]" 1
815 1 41 ILE HG13 1 42 VAL MG1 . . 5.020 3.948 3.292 4.190 . 0 0 "[ . 1 . 2]" 1
816 1 41 ILE HG13 1 42 VAL MG2 . . 4.680 2.545 2.254 2.833 . 0 0 "[ . 1 . 2]" 1
817 1 41 ILE HG13 1 68 ILE MD . . 5.120 2.914 2.410 3.911 . 0 0 "[ . 1 . 2]" 1
818 1 41 ILE MD 1 109 TYR QE . . 7.360 3.992 2.530 5.653 . 0 0 "[ . 1 . 2]" 1
819 1 41 ILE MD 1 111 GLY H . . 5.820 4.853 3.230 5.689 . 0 0 "[ . 1 . 2]" 1
820 1 41 ILE MD 1 111 GLY HA2 . . 5.060 4.094 2.820 4.922 . 0 0 "[ . 1 . 2]" 1
821 1 41 ILE MD 1 111 GLY HA3 . . 4.990 3.257 2.062 4.164 . 0 0 "[ . 1 . 2]" 1
822 1 41 ILE MD 1 42 VAL H . . 4.750 2.190 1.699 3.775 . 0 0 "[ . 1 . 2]" 1
823 1 41 ILE MD 1 42 VAL HB . . 6.520 4.990 4.522 6.177 . 0 0 "[ . 1 . 2]" 1
824 1 41 ILE MD 1 68 ILE HG13 . . 5.390 3.628 2.772 5.243 . 0 0 "[ . 1 . 2]" 1
825 1 41 ILE MD 1 68 ILE MD . . 5.320 2.849 2.152 4.567 . 0 0 "[ . 1 . 2]" 1
826 1 41 ILE MD 1 70 LEU HA . . 4.370 3.270 2.699 4.041 . 0 0 "[ . 1 . 2]" 1
827 1 41 ILE MD 1 70 LEU HB2 . . 5.150 3.642 2.877 5.008 . 0 0 "[ . 1 . 2]" 1
828 1 41 ILE MD 1 70 LEU HB3 . . 5.920 4.795 4.270 5.530 . 0 0 "[ . 1 . 2]" 1
829 1 41 ILE MD 1 70 LEU HG . . 4.440 3.709 2.884 4.511 0.071 19 0 "[ . 1 . 2]" 1
830 1 41 ILE MD 1 71 PRO HD2 . . 4.690 3.257 2.710 4.263 . 0 0 "[ . 1 . 2]" 1
831 1 41 ILE MD 1 71 PRO HD3 . . 5.520 4.333 3.773 5.582 0.062 14 0 "[ . 1 . 2]" 1
832 1 41 ILE MD 1 71 PRO QG . . 5.910 4.148 3.142 5.210 . 0 0 "[ . 1 . 2]" 1
833 1 41 ILE MD 1 74 LYS H . . 6.070 5.148 4.318 6.035 . 0 0 "[ . 1 . 2]" 1
834 1 41 ILE MD 1 74 LYS HB2 . . 4.470 2.922 2.215 3.591 . 0 0 "[ . 1 . 2]" 1
835 1 41 ILE MD 1 74 LYS HB3 . . 4.750 3.083 2.248 3.986 . 0 0 "[ . 1 . 2]" 1
836 1 41 ILE MD 1 74 LYS QE . . 7.400 3.825 2.632 5.185 . 0 0 "[ . 1 . 2]" 1
837 1 41 ILE MD 1 74 LYS QG . . 5.890 3.040 2.018 4.159 . 0 0 "[ . 1 . 2]" 1
838 1 41 ILE MD 1 75 ALA H . . 5.510 4.473 3.736 5.321 . 0 0 "[ . 1 . 2]" 1
839 1 41 ILE MD 1 75 ALA MB . . 7.250 5.418 4.379 6.138 . 0 0 "[ . 1 . 2]" 1
840 1 41 ILE MD 1 76 ILE HB . . 5.430 4.299 2.442 5.274 . 0 0 "[ . 1 . 2]" 1
841 1 41 ILE MD 1 76 ILE MD . . 6.430 3.594 2.363 4.779 . 0 0 "[ . 1 . 2]" 1
842 1 41 ILE MG 1 109 TYR QD . . 7.180 2.957 2.507 3.877 . 0 0 "[ . 1 . 2]" 1
843 1 41 ILE MG 1 109 TYR QE . . 6.220 2.498 2.211 3.343 . 0 0 "[ . 1 . 2]" 1
844 1 41 ILE MG 1 110 SER H . . 5.900 4.396 4.016 4.839 . 0 0 "[ . 1 . 2]" 1
845 1 41 ILE MG 1 110 SER HA . . 4.630 2.594 2.147 3.040 . 0 0 "[ . 1 . 2]" 1
846 1 41 ILE MG 1 111 GLY H . . 4.700 2.603 2.115 3.110 . 0 0 "[ . 1 . 2]" 1
847 1 41 ILE MG 1 111 GLY HA3 . . 5.800 3.112 2.601 3.571 . 0 0 "[ . 1 . 2]" 1
848 1 41 ILE MG 1 112 GLU H . . 6.520 4.697 4.254 5.290 . 0 0 "[ . 1 . 2]" 1
849 1 41 ILE MG 1 42 VAL H . . 5.270 3.554 3.176 3.753 . 0 0 "[ . 1 . 2]" 1
850 1 41 ILE MG 1 42 VAL HB . . 6.520 5.661 5.069 5.865 . 0 0 "[ . 1 . 2]" 1
851 1 41 ILE MG 1 42 VAL MG2 . . 5.930 3.963 3.362 4.206 . 0 0 "[ . 1 . 2]" 1
852 1 41 ILE MG 1 68 ILE MD . . 6.460 3.863 3.537 4.421 . 0 0 "[ . 1 . 2]" 1
853 1 42 VAL H 1 42 VAL HB . . 3.650 3.567 3.524 3.610 . 0 0 "[ . 1 . 2]" 1
854 1 42 VAL H 1 42 VAL MG1 . . 4.130 2.189 1.911 2.405 . 0 0 "[ . 1 . 2]" 1
855 1 42 VAL H 1 42 VAL MG2 . . 4.340 2.071 1.859 2.404 . 0 0 "[ . 1 . 2]" 1
856 1 42 VAL H 1 43 ASP H . . 4.650 4.609 4.376 4.699 0.049 14 0 "[ . 1 . 2]" 1
857 1 42 VAL H 1 68 ILE MD . . 5.600 4.192 3.696 5.048 . 0 0 "[ . 1 . 2]" 1
858 1 42 VAL HA 1 43 ASP H . . 2.640 2.231 2.022 2.377 . 0 0 "[ . 1 . 2]" 1
859 1 42 VAL HA 1 43 ASP QB . . 5.550 4.127 3.864 4.574 . 0 0 "[ . 1 . 2]" 1
860 1 42 VAL HB 1 43 ASP H . . 3.370 2.975 2.646 3.427 0.057 9 0 "[ . 1 . 2]" 1
861 1 42 VAL HB 1 43 ASP QB . . 5.640 4.898 4.415 5.469 . 0 0 "[ . 1 . 2]" 1
862 1 42 VAL HB 1 68 ILE HB . . 4.330 4.174 3.252 4.393 0.063 17 0 "[ . 1 . 2]" 1
863 1 42 VAL MG1 1 43 ASP H . . 5.070 3.865 3.682 4.145 . 0 0 "[ . 1 . 2]" 1
864 1 42 VAL MG1 1 68 ILE HG13 . . 4.880 4.825 4.328 4.960 0.080 2 0 "[ . 1 . 2]" 1
865 1 42 VAL MG1 1 68 ILE MD . . 6.070 4.593 4.269 4.920 . 0 0 "[ . 1 . 2]" 1
866 1 42 VAL MG1 1 70 LEU HB2 . . 6.520 6.163 5.311 6.590 0.070 5 0 "[ . 1 . 2]" 1
867 1 42 VAL MG2 1 109 TYR QD . . 8.650 5.398 5.042 5.803 . 0 0 "[ . 1 . 2]" 1
868 1 42 VAL MG2 1 109 TYR QE . . 7.610 3.650 3.316 4.018 . 0 0 "[ . 1 . 2]" 1
869 1 42 VAL MG2 1 43 ASP H . . 4.230 3.888 3.558 4.297 0.067 5 0 "[ . 1 . 2]" 1
870 1 42 VAL MG2 1 43 ASP HA . . 5.610 4.475 4.160 4.773 . 0 0 "[ . 1 . 2]" 1
871 1 42 VAL MG2 1 43 ASP HB2 . . 6.460 5.875 5.201 6.449 . 0 0 "[ . 1 . 2]" 1
872 1 42 VAL MG2 1 43 ASP HB3 . . 6.460 5.646 5.228 5.991 . 0 0 "[ . 1 . 2]" 1
873 1 42 VAL MG2 1 43 ASP QB . . 6.560 5.117 4.766 5.453 . 0 0 "[ . 1 . 2]" 1
874 1 42 VAL MG2 1 68 ILE HA . . 5.020 3.383 2.812 4.084 . 0 0 "[ . 1 . 2]" 1
875 1 42 VAL MG2 1 68 ILE HB . . 3.900 2.067 1.966 2.424 . 0 0 "[ . 1 . 2]" 1
876 1 42 VAL MG2 1 68 ILE HG13 . . 4.210 2.974 2.478 3.284 . 0 0 "[ . 1 . 2]" 1
877 1 42 VAL MG2 1 68 ILE MD . . 5.480 2.544 2.055 2.945 . 0 0 "[ . 1 . 2]" 1
878 1 42 VAL MG2 1 68 ILE MG . . 5.740 3.104 2.850 3.529 . 0 0 "[ . 1 . 2]" 1
879 1 43 ASP H 1 43 ASP HB2 . . 3.480 2.983 2.164 3.555 0.075 14 0 "[ . 1 . 2]" 1
880 1 43 ASP H 1 43 ASP HB3 . . 3.480 2.633 2.224 3.503 0.023 6 0 "[ . 1 . 2]" 1
881 1 43 ASP H 1 43 ASP QB . . 3.710 2.389 2.111 2.915 . 0 0 "[ . 1 . 2]" 1
882 1 43 ASP HA 1 44 ILE H . . 3.320 2.470 2.320 2.626 . 0 0 "[ . 1 . 2]" 1
883 1 43 ASP HB2 1 44 ILE H . . 4.400 3.196 2.150 3.959 . 0 0 "[ . 1 . 2]" 1
884 1 43 ASP HB3 1 44 ILE H . . 4.400 3.574 2.490 4.080 . 0 0 "[ . 1 . 2]" 1
885 1 43 ASP QB 1 44 ILE H . . 4.510 2.808 2.135 3.401 . 0 0 "[ . 1 . 2]" 1
886 1 43 ASP QB 1 44 ILE MG . . 7.240 4.389 3.769 4.889 . 0 0 "[ . 1 . 2]" 1
887 1 44 ILE H 1 109 TYR QE . . 5.990 4.298 3.659 5.058 . 0 0 "[ . 1 . 2]" 1
888 1 44 ILE H 1 44 ILE HB . . 3.330 3.136 2.988 3.287 . 0 0 "[ . 1 . 2]" 1
889 1 44 ILE H 1 44 ILE MD . . 5.840 4.709 4.321 4.874 . 0 0 "[ . 1 . 2]" 1
890 1 44 ILE H 1 44 ILE MG . . 4.040 2.206 1.992 2.370 . 0 0 "[ . 1 . 2]" 1
891 1 44 ILE H 1 45 ASP H . . 4.660 4.366 4.184 4.472 . 0 0 "[ . 1 . 2]" 1
892 1 44 ILE H 1 68 ILE MG . . 6.520 5.558 4.934 6.091 . 0 0 "[ . 1 . 2]" 1
893 1 44 ILE HA 1 44 ILE HG12 . . 3.940 3.290 3.074 3.772 . 0 0 "[ . 1 . 2]" 1
894 1 44 ILE HA 1 44 ILE HG13 . . 3.940 2.393 2.290 2.977 . 0 0 "[ . 1 . 2]" 1
895 1 44 ILE HA 1 45 ASP H . . 2.940 2.213 2.095 2.325 . 0 0 "[ . 1 . 2]" 1
896 1 44 ILE HB 1 68 ILE MG . . 4.690 3.338 2.612 3.747 . 0 0 "[ . 1 . 2]" 1
897 1 44 ILE HG12 1 45 ASP H . . 3.890 3.049 2.411 3.951 0.061 16 0 "[ . 1 . 2]" 1
898 1 44 ILE HG13 1 45 ASP H . . 3.890 2.527 2.095 3.271 . 0 0 "[ . 1 . 2]" 1
899 1 44 ILE MD 1 109 TYR QE . . 7.570 3.395 2.305 4.163 . 0 0 "[ . 1 . 2]" 1
900 1 44 ILE MD 1 45 ASP H . . 4.970 3.983 2.582 4.692 . 0 0 "[ . 1 . 2]" 1
901 1 44 ILE MD 1 49 TYR QE . . 7.300 2.741 2.222 3.371 . 0 0 "[ . 1 . 2]" 1
902 1 44 ILE MD 1 64 ILE HA . . 5.680 5.038 4.609 5.472 . 0 0 "[ . 1 . 2]" 1
903 1 44 ILE MD 1 64 ILE HG12 . . 5.780 4.727 4.089 5.669 . 0 0 "[ . 1 . 2]" 1
904 1 44 ILE MD 1 64 ILE MG . . 5.480 3.824 3.148 4.253 . 0 0 "[ . 1 . 2]" 1
905 1 44 ILE MD 1 67 ARG HB2 . . 5.600 5.123 4.443 5.668 0.068 17 0 "[ . 1 . 2]" 1
906 1 44 ILE MD 1 67 ARG HB3 . . 5.600 4.537 3.717 5.333 . 0 0 "[ . 1 . 2]" 1
907 1 44 ILE MD 1 67 ARG QB . . 5.910 4.229 3.539 4.806 . 0 0 "[ . 1 . 2]" 1
908 1 44 ILE MD 1 67 ARG QD . . 7.000 5.420 4.106 6.669 . 0 0 "[ . 1 . 2]" 1
909 1 44 ILE MD 1 68 ILE H . . 6.070 5.362 4.768 5.999 . 0 0 "[ . 1 . 2]" 1
910 1 44 ILE MD 1 68 ILE HB . . 6.000 5.075 3.982 5.940 . 0 0 "[ . 1 . 2]" 1
911 1 44 ILE MD 1 68 ILE MG . . 5.550 2.772 2.129 3.415 . 0 0 "[ . 1 . 2]" 1
912 1 44 ILE QG 1 45 ASP H . . 4.000 2.384 1.973 3.005 . 0 0 "[ . 1 . 2]" 1
913 1 44 ILE MG 1 109 TYR QD . . 7.660 3.815 3.595 4.165 . 0 0 "[ . 1 . 2]" 1
914 1 44 ILE MG 1 109 TYR QE . . 6.320 2.088 1.986 2.254 . 0 0 "[ . 1 . 2]" 1
915 1 44 ILE MG 1 45 ASP H . . 4.960 3.869 3.513 4.150 . 0 0 "[ . 1 . 2]" 1
916 1 44 ILE MG 1 45 ASP HA . . 5.910 4.566 4.227 4.836 . 0 0 "[ . 1 . 2]" 1
917 1 44 ILE MG 1 49 TYR QE . . 7.470 5.060 4.192 5.760 . 0 0 "[ . 1 . 2]" 1
918 1 44 ILE MG 1 64 ILE MG . . 6.770 5.050 4.451 5.597 . 0 0 "[ . 1 . 2]" 1
919 1 45 ASP H 1 45 ASP HB2 . . 3.730 2.389 2.075 3.627 . 0 0 "[ . 1 . 2]" 1
920 1 45 ASP H 1 45 ASP HB3 . . 3.730 3.353 2.587 3.680 . 0 0 "[ . 1 . 2]" 1
921 1 45 ASP H 1 46 LYS H . . 4.680 4.631 4.590 4.676 . 0 0 "[ . 1 . 2]" 1
922 1 45 ASP HA 1 46 LYS H . . 3.140 2.415 2.294 2.506 . 0 0 "[ . 1 . 2]" 1
923 1 45 ASP HA 1 46 LYS HB2 . . 4.570 4.623 4.606 4.636 0.066 5 0 "[ . 1 . 2]" 1
924 1 45 ASP HA 1 46 LYS QD . . 5.920 3.250 3.003 3.522 . 0 0 "[ . 1 . 2]" 1
925 1 45 ASP QB 1 46 LYS H . . 4.900 2.649 2.357 3.227 . 0 0 "[ . 1 . 2]" 1
926 1 46 LYS H 1 46 LYS HB2 . . 3.680 2.277 2.220 2.359 . 0 0 "[ . 1 . 2]" 1
927 1 46 LYS H 1 46 LYS HD2 . . 4.050 2.470 2.237 2.947 . 0 0 "[ . 1 . 2]" 1
928 1 46 LYS H 1 46 LYS HD3 . . 4.050 3.172 2.634 3.969 . 0 0 "[ . 1 . 2]" 1
929 1 46 LYS H 1 46 LYS HG3 . . 4.250 3.748 3.457 4.023 . 0 0 "[ . 1 . 2]" 1
930 1 46 LYS H 1 46 LYS QD . . 4.270 2.366 2.187 2.718 . 0 0 "[ . 1 . 2]" 1
931 1 46 LYS H 1 47 ARG H . . 4.620 4.239 3.827 4.386 . 0 0 "[ . 1 . 2]" 1
932 1 46 LYS HA 2 12 TRP H . . 4.440 4.370 4.118 4.501 0.061 11 0 "[ . 1 . 2]" 1
933 1 46 LYS HA 2 12 TRP HZ3 . . 4.070 2.893 2.709 3.056 . 0 0 "[ . 1 . 2]" 1
934 1 46 LYS HA 1 46 LYS HG3 . . 3.970 2.251 2.116 2.360 . 0 0 "[ . 1 . 2]" 1
935 1 46 LYS HA 1 46 LYS QD . . 4.870 3.148 2.870 3.451 . 0 0 "[ . 1 . 2]" 1
936 1 46 LYS HA 1 47 ARG H . . 3.130 2.193 2.117 2.315 . 0 0 "[ . 1 . 2]" 1
937 1 46 LYS HA 1 47 ARG HA . . 4.370 4.416 4.399 4.425 0.055 1 0 "[ . 1 . 2]" 1
938 1 46 LYS HB2 1 46 LYS QE . . 4.850 4.015 3.824 4.197 . 0 0 "[ . 1 . 2]" 1
939 1 46 LYS HB3 2 12 TRP H . . 3.970 2.407 2.025 2.519 . 0 0 "[ . 1 . 2]" 1
940 1 46 LYS HG2 2 12 TRP HE1 . . 4.300 4.255 3.633 4.362 0.062 12 0 "[ . 1 . 2]" 1
941 1 46 LYS HG2 2 12 TRP HH2 . . 3.950 3.741 3.228 4.000 0.050 1 0 "[ . 1 . 2]" 1
942 1 46 LYS HG2 2 12 TRP HZ2 . . 3.520 3.195 2.930 3.551 0.031 14 0 "[ . 1 . 2]" 1
943 1 46 LYS HG3 2 12 TRP H . . 4.940 4.951 4.648 5.009 0.069 6 0 "[ . 1 . 2]" 1
944 1 46 LYS HG3 2 12 TRP HH2 . . 4.260 2.846 2.537 3.178 . 0 0 "[ . 1 . 2]" 1
945 1 46 LYS HG3 2 12 TRP HZ2 . . 4.210 3.572 3.231 3.907 . 0 0 "[ . 1 . 2]" 1
946 1 46 LYS HG3 1 47 ARG H . . 4.790 4.328 4.073 4.551 . 0 0 "[ . 1 . 2]" 1
947 1 46 LYS QD 2 12 TRP H . . 6.220 4.786 4.490 5.225 . 0 0 "[ . 1 . 2]" 1
948 1 46 LYS QD 2 12 TRP HZ2 . . 6.220 5.018 4.659 5.308 . 0 0 "[ . 1 . 2]" 1
949 1 46 LYS QE 2 12 TRP HH2 . . 4.820 3.977 3.273 4.479 . 0 0 "[ . 1 . 2]" 1
950 1 46 LYS QE 2 12 TRP HZ2 . . 4.480 3.998 3.482 4.546 0.066 17 0 "[ . 1 . 2]" 1
951 1 47 ARG H 2 12 TRP HA . . 4.370 3.995 3.792 4.426 0.056 17 0 "[ . 1 . 2]" 1
952 1 47 ARG H 2 12 TRP HZ3 . . 3.980 3.019 2.667 3.606 . 0 0 "[ . 1 . 2]" 1
953 1 47 ARG H 2 13 GLY H . . 4.980 4.813 4.657 5.019 0.039 5 0 "[ . 1 . 2]" 1
954 1 47 ARG H 1 47 ARG HD2 . . 4.960 4.596 4.074 5.027 0.067 5 0 "[ . 1 . 2]" 1
955 1 47 ARG H 1 47 ARG HG2 . . 4.230 3.175 3.028 3.458 . 0 0 "[ . 1 . 2]" 1
956 1 47 ARG H 1 47 ARG HG3 . . 5.110 4.311 4.078 4.595 . 0 0 "[ . 1 . 2]" 1
957 1 47 ARG H 1 48 LYS H . . 4.670 4.390 4.322 4.464 . 0 0 "[ . 1 . 2]" 1
958 1 47 ARG HA 2 12 TRP H . . 3.960 3.866 3.657 4.003 0.043 3 0 "[ . 1 . 2]" 1
959 1 47 ARG HA 2 12 TRP HA . . 3.990 2.529 2.365 2.785 . 0 0 "[ . 1 . 2]" 1
960 1 47 ARG HA 2 12 TRP HE3 . . 4.110 3.415 3.231 3.632 . 0 0 "[ . 1 . 2]" 1
961 1 47 ARG HA 2 12 TRP HZ3 . . 5.390 4.969 4.384 5.170 . 0 0 "[ . 1 . 2]" 1
962 1 47 ARG HA 2 13 GLY H . . 3.580 2.235 1.940 2.463 . 0 0 "[ . 1 . 2]" 1
963 1 47 ARG HA 2 14 ILE H . . 5.500 5.385 5.211 5.526 0.026 15 0 "[ . 1 . 2]" 1
964 1 47 ARG HA 2 15 GLU QB . . 6.380 5.120 4.602 5.938 . 0 0 "[ . 1 . 2]" 1
965 1 47 ARG HA 1 47 ARG HD2 . . 4.130 2.385 2.021 2.788 . 0 0 "[ . 1 . 2]" 1
966 1 47 ARG HA 1 47 ARG HD3 . . 4.160 3.355 2.051 4.053 . 0 0 "[ . 1 . 2]" 1
967 1 47 ARG HA 1 47 ARG HE . . 4.610 4.236 3.450 4.679 0.069 16 0 "[ . 1 . 2]" 1
968 1 47 ARG HA 1 47 ARG HG3 . . 4.210 3.801 3.710 3.877 . 0 0 "[ . 1 . 2]" 1
969 1 47 ARG HA 1 48 LYS QG . . 5.900 3.338 3.194 3.651 . 0 0 "[ . 1 . 2]" 1
970 1 47 ARG HB2 1 48 LYS H . . 4.000 3.719 3.453 3.878 . 0 0 "[ . 1 . 2]" 1
971 1 47 ARG HB3 1 48 LYS H . . 4.000 2.596 2.356 2.942 . 0 0 "[ . 1 . 2]" 1
972 1 47 ARG HD2 2 13 GLY H . . 3.730 2.184 1.784 3.314 . 0 0 "[ . 1 . 2]" 1
973 1 47 ARG HD2 2 15 GLU QB . . 5.620 4.742 2.873 5.687 0.067 18 0 "[ . 1 . 2]" 1
974 1 47 ARG HD2 1 48 LYS H . . 4.260 3.719 3.122 4.293 0.033 6 0 "[ . 1 . 2]" 1
975 1 47 ARG HD3 2 12 TRP H . . 5.100 4.759 3.513 5.156 0.056 9 0 "[ . 1 . 2]" 1
976 1 47 ARG HD3 2 13 GLY H . . 3.760 2.960 1.770 3.630 . 0 0 "[ . 1 . 2]" 1
977 1 47 ARG HE 2 15 GLU QB . . 4.780 3.790 2.628 4.859 0.079 7 0 "[ . 1 . 2]" 1
978 1 47 ARG HG2 2 13 GLY H . . 4.290 3.999 3.689 4.331 0.041 6 0 "[ . 1 . 2]" 1
979 1 47 ARG HE 1 47 ARG HG2 . . 3.710 3.548 3.258 3.735 0.025 9 0 "[ . 1 . 2]" 1
980 1 47 ARG HG3 2 13 GLY H . . 4.680 4.743 4.735 4.753 0.073 20 0 "[ . 1 . 2]" 1
981 1 47 ARG HG3 2 15 GLU QB . . 5.570 4.434 3.861 5.393 . 0 0 "[ . 1 . 2]" 1
982 1 47 ARG HE 1 47 ARG HG3 . . 3.710 2.494 2.143 3.349 . 0 0 "[ . 1 . 2]" 1
983 1 47 ARG HG3 1 47 ARG QH2 . . 5.430 4.262 3.864 4.602 . 0 0 "[ . 1 . 2]" 1
984 1 47 ARG QB 2 13 GLY H . . 5.450 3.904 3.735 4.151 . 0 0 "[ . 1 . 2]" 1
985 1 47 ARG QB 2 15 GLU QB . . 5.250 3.072 2.723 3.790 . 0 0 "[ . 1 . 2]" 1
986 1 47 ARG QB 1 48 LYS H . . 4.060 2.548 2.318 2.858 . 0 0 "[ . 1 . 2]" 1
987 1 47 ARG QB 1 48 LYS HA . . 5.810 4.321 4.227 4.566 . 0 0 "[ . 1 . 2]" 1
988 1 47 ARG QH2 2 13 GLY H . . 6.370 5.279 4.372 6.216 . 0 0 "[ . 1 . 2]" 1
989 1 48 LYS H 2 12 TRP HA . . 3.870 3.876 3.715 3.936 0.066 17 0 "[ . 1 . 2]" 1
990 1 48 LYS H 2 12 TRP HE3 . . 4.260 4.207 3.917 4.322 0.062 7 0 "[ . 1 . 2]" 1
991 1 48 LYS H 2 13 GLY H . . 3.740 3.758 3.478 3.810 0.070 9 0 "[ . 1 . 2]" 1
992 1 48 LYS H 2 13 GLY QA . . 5.200 3.981 3.840 4.086 . 0 0 "[ . 1 . 2]" 1
993 1 48 LYS H 2 14 ILE H . . 4.470 4.453 4.223 4.540 0.070 7 0 "[ . 1 . 2]" 1
994 1 48 LYS H 2 14 ILE HA . . 3.620 2.927 2.549 3.367 . 0 0 "[ . 1 . 2]" 1
995 1 48 LYS H 2 14 ILE HG12 . . 5.340 4.770 4.323 5.235 . 0 0 "[ . 1 . 2]" 1
996 1 48 LYS H 2 14 ILE MG . . 6.180 4.791 4.237 5.278 . 0 0 "[ . 1 . 2]" 1
997 1 48 LYS H 2 15 GLU QB . . 5.110 4.013 3.453 4.370 . 0 0 "[ . 1 . 2]" 1
998 1 48 LYS H 2 15 GLU QG . . 6.150 5.326 3.722 6.222 0.072 13 0 "[ . 1 . 2]" 1
999 1 48 LYS H 1 48 LYS QE . . 5.770 4.666 3.553 5.163 . 0 0 "[ . 1 . 2]" 1
1000 1 48 LYS H 1 48 LYS QG . . 4.820 2.469 2.145 2.899 . 0 0 "[ . 1 . 2]" 1
1001 1 48 LYS H 1 49 TYR H . . 4.530 4.232 3.991 4.582 0.052 3 0 "[ . 1 . 2]" 1
1002 1 48 LYS HA 2 15 GLU H . . 4.960 4.987 4.882 5.025 0.065 5 0 "[ . 1 . 2]" 1
1003 1 48 LYS HA 1 49 TYR H . . 3.230 2.234 2.164 2.319 . 0 0 "[ . 1 . 2]" 1
1004 1 48 LYS HB2 2 14 ILE H . . 4.710 4.353 3.868 4.751 0.041 3 0 "[ . 1 . 2]" 1
1005 1 48 LYS HB2 2 14 ILE HA . . 4.480 2.108 1.945 2.263 . 0 0 "[ . 1 . 2]" 1
1006 1 48 LYS HB2 2 14 ILE HG12 . . 4.500 2.643 2.302 3.484 . 0 0 "[ . 1 . 2]" 1
1007 1 48 LYS HB2 2 15 GLU H . . 3.620 3.473 2.934 3.680 0.060 13 0 "[ . 1 . 2]" 1
1008 1 48 LYS HB2 2 15 GLU QB . . 6.060 5.122 4.491 5.682 . 0 0 "[ . 1 . 2]" 1
1009 1 48 LYS HB2 1 49 TYR H . . 4.620 4.348 3.798 4.562 . 0 0 "[ . 1 . 2]" 1
1010 1 48 LYS HB3 2 14 ILE HA . . 4.510 3.774 3.373 4.005 . 0 0 "[ . 1 . 2]" 1
1011 1 48 LYS HB3 2 14 ILE HG12 . . 4.570 3.732 3.100 4.494 . 0 0 "[ . 1 . 2]" 1
1012 1 48 LYS HB3 2 14 ILE MG . . 6.090 4.130 3.562 4.901 . 0 0 "[ . 1 . 2]" 1
1013 1 48 LYS HB3 2 15 GLU H . . 4.920 4.733 4.318 4.977 0.057 18 0 "[ . 1 . 2]" 1
1014 1 48 LYS HB3 1 49 TYR H . . 4.260 3.783 2.946 4.080 . 0 0 "[ . 1 . 2]" 1
1015 1 48 LYS HG2 2 13 GLY H . . 5.500 5.347 4.748 5.566 0.066 14 0 "[ . 1 . 2]" 1
1016 1 48 LYS HG2 2 14 ILE HG12 . . 4.850 4.753 4.075 4.918 0.068 3 0 "[ . 1 . 2]" 1
1017 1 48 LYS HG3 2 13 GLY H . . 5.500 4.062 3.843 4.345 . 0 0 "[ . 1 . 2]" 1
1018 1 48 LYS HG3 2 14 ILE HG12 . . 4.850 3.830 2.668 4.353 . 0 0 "[ . 1 . 2]" 1
1019 1 48 LYS QD 2 13 GLY H . . 6.380 5.478 4.789 6.174 . 0 0 "[ . 1 . 2]" 1
1020 1 48 LYS QD 2 14 ILE H . . 5.240 4.558 3.576 5.319 0.079 2 0 "[ . 1 . 2]" 1
1021 1 48 LYS QD 2 14 ILE HG12 . . 4.400 2.563 1.990 3.886 . 0 0 "[ . 1 . 2]" 1
1022 1 48 LYS QD 2 14 ILE MG . . 5.720 4.135 3.289 5.085 . 0 0 "[ . 1 . 2]" 1
1023 1 48 LYS QD 2 15 GLU H . . 6.160 5.535 4.456 6.232 0.072 1 0 "[ . 1 . 2]" 1
1024 1 48 LYS QE 2 14 ILE H . . 5.870 4.821 3.188 5.935 0.065 15 0 "[ . 1 . 2]" 1
1025 1 48 LYS QE 2 14 ILE HG12 . . 4.990 3.122 1.910 4.401 . 0 0 "[ . 1 . 2]" 1
1026 1 48 LYS QE 2 14 ILE HG13 . . 5.500 3.527 1.984 5.015 . 0 0 "[ . 1 . 2]" 1
1027 1 48 LYS QE 2 14 ILE MD . . 6.070 3.623 2.503 4.736 . 0 0 "[ . 1 . 2]" 1
1028 1 48 LYS QE 2 14 ILE MG . . 6.030 4.581 3.426 5.878 . 0 0 "[ . 1 . 2]" 1
1029 1 48 LYS QG 2 12 TRP HE3 . . 5.090 2.862 2.285 3.372 . 0 0 "[ . 1 . 2]" 1
1030 1 48 LYS QG 2 14 ILE H . . 5.000 4.305 3.696 4.731 . 0 0 "[ . 1 . 2]" 1
1031 1 48 LYS QG 2 14 ILE HG12 . . 4.920 3.664 2.634 4.075 . 0 0 "[ . 1 . 2]" 1
1032 1 48 LYS QG 2 15 GLU H . . 5.480 4.969 4.621 5.306 . 0 0 "[ . 1 . 2]" 1
1033 1 48 LYS QG 1 49 TYR H . . 6.220 4.536 4.203 4.748 . 0 0 "[ . 1 . 2]" 1
1034 1 49 TYR H 2 17 VAL QG . . 6.920 5.351 4.739 6.338 . 0 0 "[ . 1 . 2]" 1
1035 1 49 TYR H 1 49 TYR HB2 . . 3.520 2.264 2.083 2.403 . 0 0 "[ . 1 . 2]" 1
1036 1 49 TYR H 1 49 TYR HB3 . . 3.800 3.502 3.365 3.608 . 0 0 "[ . 1 . 2]" 1
1037 1 49 TYR H 1 50 LEU H . . 4.820 4.474 4.310 4.612 . 0 0 "[ . 1 . 2]" 1
1038 1 49 TYR HA 2 14 ILE MG . . 6.440 4.856 4.357 5.603 . 0 0 "[ . 1 . 2]" 1
1039 1 49 TYR HA 2 15 GLU H . . 3.840 3.264 2.956 3.785 . 0 0 "[ . 1 . 2]" 1
1040 1 49 TYR HA 2 15 GLU QB . . 4.880 2.940 2.274 3.376 . 0 0 "[ . 1 . 2]" 1
1041 1 49 TYR HA 2 16 LEU HA . . 5.020 4.758 4.488 4.986 . 0 0 "[ . 1 . 2]" 1
1042 1 49 TYR HA 2 17 VAL H . . 4.760 4.717 4.340 4.826 0.066 6 0 "[ . 1 . 2]" 1
1043 1 49 TYR HA 2 17 VAL QG . . 6.670 3.265 2.580 4.400 . 0 0 "[ . 1 . 2]" 1
1044 1 49 TYR HA 1 50 LEU H . . 3.040 2.148 2.015 2.254 . 0 0 "[ . 1 . 2]" 1
1045 1 49 TYR HB2 2 17 VAL QG . . 5.800 4.373 3.650 5.243 . 0 0 "[ . 1 . 2]" 1
1046 1 49 TYR HB2 1 50 LEU H . . 4.770 4.400 4.141 4.596 . 0 0 "[ . 1 . 2]" 1
1047 1 49 TYR HB3 2 17 VAL MG1 . . 4.830 4.309 3.470 4.911 0.081 9 0 "[ . 1 . 2]" 1
1048 1 49 TYR HB3 2 17 VAL MG2 . . 4.830 3.421 2.549 4.673 . 0 0 "[ . 1 . 2]" 1
1049 1 49 TYR HB3 1 50 LEU H . . 4.130 3.423 2.950 3.752 . 0 0 "[ . 1 . 2]" 1
1050 1 49 TYR HB3 1 50 LEU QD . . 7.540 4.954 4.681 5.201 . 0 0 "[ . 1 . 2]" 1
1051 1 49 TYR QD 2 15 GLU H . . 7.570 4.330 3.325 5.327 . 0 0 "[ . 1 . 2]" 1
1052 1 49 TYR QD 2 15 GLU QB . . 6.910 2.883 2.125 4.195 . 0 0 "[ . 1 . 2]" 1
1053 1 49 TYR QD 2 15 GLU QG . . 8.510 4.286 3.338 6.014 . 0 0 "[ . 1 . 2]" 1
1054 1 49 TYR QD 2 17 VAL H . . 6.720 5.420 4.706 5.882 . 0 0 "[ . 1 . 2]" 1
1055 1 49 TYR QD 2 17 VAL MG1 . . 6.440 3.377 2.570 5.014 . 0 0 "[ . 1 . 2]" 1
1056 1 49 TYR QD 2 17 VAL MG2 . . 6.440 2.727 2.051 3.254 . 0 0 "[ . 1 . 2]" 1
1057 1 49 TYR QD 2 17 VAL QG . . 6.980 2.577 2.039 3.215 . 0 0 "[ . 1 . 2]" 1
1058 1 49 TYR QD 1 50 LEU H . . 6.560 4.227 3.870 4.554 . 0 0 "[ . 1 . 2]" 1
1059 1 49 TYR QD 1 63 ILE MG . . 7.960 5.014 4.329 6.237 . 0 0 "[ . 1 . 2]" 1
1060 1 49 TYR QE 2 15 GLU QB . . 6.870 3.230 2.437 4.353 . 0 0 "[ . 1 . 2]" 1
1061 1 49 TYR QE 2 15 GLU QG . . 7.680 3.645 2.530 5.840 . 0 0 "[ . 1 . 2]" 1
1062 1 49 TYR QE 2 17 VAL HA . . 7.510 6.273 5.906 7.571 0.061 15 0 "[ . 1 . 2]" 1
1063 1 49 TYR QE 2 17 VAL QG . . 7.580 2.825 2.335 3.934 . 0 0 "[ . 1 . 2]" 1
1064 1 49 TYR QE 1 67 ARG HE . . 6.630 4.903 3.379 6.563 . 0 0 "[ . 1 . 2]" 1
1065 1 49 TYR QE 1 67 ARG HG2 . . 7.630 4.771 2.870 6.765 . 0 0 "[ . 1 . 2]" 1
1066 1 49 TYR QE 1 67 ARG HG3 . . 7.630 3.916 2.461 5.243 . 0 0 "[ . 1 . 2]" 1
1067 1 50 LEU H 2 14 ILE MG . . 5.700 4.435 4.018 5.216 . 0 0 "[ . 1 . 2]" 1
1068 1 50 LEU H 2 15 GLU H . . 3.970 3.736 3.336 4.012 0.042 19 0 "[ . 1 . 2]" 1
1069 1 50 LEU H 2 15 GLU QB . . 5.060 3.975 3.350 4.330 . 0 0 "[ . 1 . 2]" 1
1070 1 50 LEU H 2 16 LEU HA . . 3.250 3.105 2.731 3.301 0.051 9 0 "[ . 1 . 2]" 1
1071 1 50 LEU H 2 16 LEU QD . . 6.050 4.420 3.910 5.233 . 0 0 "[ . 1 . 2]" 1
1072 1 50 LEU H 2 17 VAL H . . 3.920 3.221 2.881 3.593 . 0 0 "[ . 1 . 2]" 1
1073 1 50 LEU H 2 17 VAL QG . . 5.390 3.346 2.582 4.300 . 0 0 "[ . 1 . 2]" 1
1074 1 50 LEU H 1 50 LEU HB2 . . 3.530 2.644 2.510 2.772 . 0 0 "[ . 1 . 2]" 1
1075 1 50 LEU H 1 50 LEU HB3 . . 3.860 3.726 3.639 3.830 . 0 0 "[ . 1 . 2]" 1
1076 1 50 LEU H 1 50 LEU HG . . 3.780 2.828 2.481 3.803 0.023 20 0 "[ . 1 . 2]" 1
1077 1 50 LEU H 1 50 LEU MD1 . . 5.210 3.899 2.493 4.175 . 0 0 "[ . 1 . 2]" 1
1078 1 50 LEU H 1 50 LEU MD2 . . 5.210 3.390 2.825 4.491 . 0 0 "[ . 1 . 2]" 1
1079 1 50 LEU H 1 51 VAL H . . 4.510 4.330 4.189 4.526 0.016 12 0 "[ . 1 . 2]" 1
1080 1 50 LEU HA 2 16 LEU HA . . 5.420 4.941 4.680 5.147 . 0 0 "[ . 1 . 2]" 1
1081 1 50 LEU HA 1 50 LEU HG . . 4.170 3.375 2.533 3.651 . 0 0 "[ . 1 . 2]" 1
1082 1 50 LEU HA 1 51 VAL H . . 3.340 2.257 2.196 2.339 . 0 0 "[ . 1 . 2]" 1
1083 1 50 LEU HA 1 51 VAL HA . . 4.920 4.479 4.427 4.534 . 0 0 "[ . 1 . 2]" 1
1084 1 50 LEU HA 1 51 VAL QG . . 6.470 3.447 3.331 3.681 . 0 0 "[ . 1 . 2]" 1
1085 1 50 LEU HB2 2 16 LEU HA . . 3.910 2.335 2.195 2.658 . 0 0 "[ . 1 . 2]" 1
1086 1 50 LEU HB2 2 16 LEU QD . . 5.910 2.896 2.116 3.979 . 0 0 "[ . 1 . 2]" 1
1087 1 50 LEU HB2 2 17 VAL H . . 3.620 3.450 3.194 3.673 0.053 15 0 "[ . 1 . 2]" 1
1088 1 50 LEU HB2 2 17 VAL QG . . 6.040 4.811 4.295 5.464 . 0 0 "[ . 1 . 2]" 1
1089 1 50 LEU HB3 2 16 LEU HA . . 4.560 4.016 3.878 4.352 . 0 0 "[ . 1 . 2]" 1
1090 1 50 LEU HB3 2 16 LEU QD . . 6.150 3.710 2.957 4.622 . 0 0 "[ . 1 . 2]" 1
1091 1 50 LEU HG 2 14 ILE HA . . 5.090 4.252 3.761 5.154 0.064 20 0 "[ . 1 . 2]" 1
1092 1 50 LEU HG 2 14 ILE HG12 . . 5.370 4.880 4.049 5.410 0.040 18 0 "[ . 1 . 2]" 1
1093 1 50 LEU HG 2 14 ILE MG . . 4.240 2.520 2.131 4.034 . 0 0 "[ . 1 . 2]" 1
1094 1 50 LEU HG 2 15 GLU H . . 4.690 3.304 2.852 4.756 0.066 20 0 "[ . 1 . 2]" 1
1095 1 50 LEU MD1 2 14 ILE HA . . 5.530 4.393 2.629 4.803 . 0 0 "[ . 1 . 2]" 1
1096 1 50 LEU MD1 2 14 ILE MG . . 5.870 2.042 1.884 2.199 . 0 0 "[ . 1 . 2]" 1
1097 1 50 LEU MD1 2 15 GLU H . . 4.930 4.036 2.172 4.510 . 0 0 "[ . 1 . 2]" 1
1098 1 50 LEU MD2 2 14 ILE HA . . 5.530 4.222 3.609 4.794 . 0 0 "[ . 1 . 2]" 1
1099 1 50 LEU MD2 2 14 ILE MG . . 5.870 2.572 2.234 2.923 . 0 0 "[ . 1 . 2]" 1
1100 1 50 LEU MD2 2 15 GLU H . . 4.930 4.099 3.517 4.635 . 0 0 "[ . 1 . 2]" 1
1101 1 50 LEU QD 2 14 ILE HA . . 5.970 3.745 2.611 4.188 . 0 0 "[ . 1 . 2]" 1
1102 1 50 LEU QD 2 14 ILE MD . . 7.720 3.168 2.664 3.456 . 0 0 "[ . 1 . 2]" 1
1103 1 50 LEU QD 2 14 ILE MG . . 6.080 1.959 1.847 2.126 . 0 0 "[ . 1 . 2]" 1
1104 1 50 LEU QD 2 16 LEU HA . . 6.780 3.500 2.784 3.876 . 0 0 "[ . 1 . 2]" 1
1105 1 50 LEU QD 2 16 LEU QD . . 7.300 2.643 1.875 3.836 . 0 0 "[ . 1 . 2]" 1
1106 1 50 LEU QD 2 17 VAL H . . 7.230 4.731 4.034 4.971 . 0 0 "[ . 1 . 2]" 1
1107 1 50 LEU QD 2 17 VAL QG . . 8.690 4.901 4.134 5.489 . 0 0 "[ . 1 . 2]" 1
1108 1 50 LEU QD 1 51 VAL H . . 6.410 4.023 3.811 4.581 . 0 0 "[ . 1 . 2]" 1
1109 1 51 VAL H 2 17 VAL QG . . 5.890 5.417 4.916 5.773 . 0 0 "[ . 1 . 2]" 1
1110 1 51 VAL H 1 51 VAL HB . . 3.600 3.664 3.623 3.674 0.074 14 0 "[ . 1 . 2]" 1
1111 1 51 VAL HA 2 17 VAL H . . 3.870 3.522 3.296 3.758 . 0 0 "[ . 1 . 2]" 1
1112 1 51 VAL HA 2 17 VAL QG . . 5.200 4.236 3.656 4.485 . 0 0 "[ . 1 . 2]" 1
1113 1 51 VAL HA 1 52 PRO HB3 . . 5.170 4.938 4.868 5.038 . 0 0 "[ . 1 . 2]" 1
1114 1 51 VAL HA 1 52 PRO HD2 . . 3.770 2.436 2.330 2.511 . 0 0 "[ . 1 . 2]" 1
1115 1 51 VAL HA 1 52 PRO HD3 . . 3.770 2.391 2.284 2.520 . 0 0 "[ . 1 . 2]" 1
1116 1 51 VAL HA 1 52 PRO HG2 . . 4.840 4.599 4.511 4.667 . 0 0 "[ . 1 . 2]" 1
1117 1 51 VAL HA 1 52 PRO HG3 . . 4.760 4.625 4.525 4.708 . 0 0 "[ . 1 . 2]" 1
1118 1 51 VAL HA 1 55 ILE HG12 . . 4.750 4.653 4.383 4.817 0.067 8 0 "[ . 1 . 2]" 1
1119 1 51 VAL HA 1 91 MET HG3 . . 5.500 5.169 4.778 5.549 0.049 4 0 "[ . 1 . 2]" 1
1120 1 51 VAL HB 2 17 VAL HB . . 5.500 5.181 4.667 5.561 0.061 9 0 "[ . 1 . 2]" 1
1121 1 51 VAL HB 2 18 SER HA . . 5.310 4.949 4.466 5.377 0.067 20 0 "[ . 1 . 2]" 1
1122 1 51 VAL HB 2 18 SER QB . . 6.380 5.078 4.734 5.458 . 0 0 "[ . 1 . 2]" 1
1123 1 51 VAL HB 1 52 PRO HG2 . . 4.730 4.377 3.906 4.610 . 0 0 "[ . 1 . 2]" 1
1124 1 51 VAL HB 1 55 ILE MD . . 5.100 2.615 2.268 2.949 . 0 0 "[ . 1 . 2]" 1
1125 1 51 VAL HB 1 55 ILE MG . . 5.810 5.042 4.334 5.483 . 0 0 "[ . 1 . 2]" 1
1126 1 51 VAL HB 1 91 MET HB2 . . 5.280 4.958 4.376 5.320 0.040 14 0 "[ . 1 . 2]" 1
1127 1 51 VAL MG1 2 17 VAL H . . 6.020 3.700 3.204 4.182 . 0 0 "[ . 1 . 2]" 1
1128 1 51 VAL MG1 2 17 VAL HB . . 5.970 2.586 2.088 3.059 . 0 0 "[ . 1 . 2]" 1
1129 1 51 VAL MG1 1 55 ILE HG12 . . 5.840 4.369 3.500 5.051 . 0 0 "[ . 1 . 2]" 1
1130 1 51 VAL MG1 1 60 PHE QD . . 7.340 2.702 2.388 3.152 . 0 0 "[ . 1 . 2]" 1
1131 1 51 VAL MG1 1 60 PHE QE . . 7.450 2.856 2.571 3.255 . 0 0 "[ . 1 . 2]" 1
1132 1 51 VAL MG2 2 17 VAL H . . 6.520 5.551 5.166 5.831 . 0 0 "[ . 1 . 2]" 1
1133 1 51 VAL MG2 2 17 VAL HB . . 5.970 5.044 4.162 5.537 . 0 0 "[ . 1 . 2]" 1
1134 1 51 VAL MG2 1 55 ILE HG12 . . 5.840 4.594 3.968 5.033 . 0 0 "[ . 1 . 2]" 1
1135 1 51 VAL MG2 1 60 PHE QD . . 7.340 3.692 3.217 4.178 . 0 0 "[ . 1 . 2]" 1
1136 1 51 VAL MG2 1 60 PHE QE . . 7.450 3.647 2.870 4.415 . 0 0 "[ . 1 . 2]" 1
1137 1 51 VAL QG 2 17 VAL H . . 6.010 3.646 3.178 4.093 . 0 0 "[ . 1 . 2]" 1
1138 1 51 VAL QG 2 17 VAL HB . . 6.010 2.578 2.084 3.043 . 0 0 "[ . 1 . 2]" 1
1139 1 51 VAL QG 2 17 VAL QG . . 7.070 2.799 1.986 3.310 . 0 0 "[ . 1 . 2]" 1
1140 1 51 VAL QG 2 18 SER HA . . 5.980 3.968 3.296 4.361 . 0 0 "[ . 1 . 2]" 1
1141 1 51 VAL QG 2 18 SER QB . . 7.650 4.398 4.002 4.802 . 0 0 "[ . 1 . 2]" 1
1142 1 51 VAL QG 1 52 PRO HG3 . . 7.170 5.094 4.708 5.326 . 0 0 "[ . 1 . 2]" 1
1143 1 51 VAL QG 1 52 PRO QD . . 6.300 2.932 2.447 3.222 . 0 0 "[ . 1 . 2]" 1
1144 1 51 VAL QG 1 55 ILE HG12 . . 5.870 3.940 3.290 4.333 . 0 0 "[ . 1 . 2]" 1
1145 1 51 VAL QG 1 55 ILE HG13 . . 6.340 4.043 3.625 4.353 . 0 0 "[ . 1 . 2]" 1
1146 1 51 VAL QG 1 55 ILE MG . . 7.140 4.826 4.114 5.289 . 0 0 "[ . 1 . 2]" 1
1147 1 51 VAL QG 1 60 PHE HB2 . . 6.600 3.283 2.776 3.889 . 0 0 "[ . 1 . 2]" 1
1148 1 51 VAL QG 1 60 PHE QD . . 7.450 2.625 2.338 2.951 . 0 0 "[ . 1 . 2]" 1
1149 1 51 VAL QG 1 60 PHE QE . . 7.750 2.741 2.493 3.175 . 0 0 "[ . 1 . 2]" 1
1150 1 51 VAL QG 1 91 MET HA . . 7.540 4.615 4.193 5.168 . 0 0 "[ . 1 . 2]" 1
1151 1 51 VAL QG 1 91 MET HB3 . . 6.440 3.200 2.641 3.946 . 0 0 "[ . 1 . 2]" 1
1152 1 51 VAL QG 1 91 MET HG2 . . 6.580 3.847 3.519 4.378 . 0 0 "[ . 1 . 2]" 1
1153 1 51 VAL QG 1 91 MET HG3 . . 5.760 2.691 2.291 3.298 . 0 0 "[ . 1 . 2]" 1
1154 1 52 PRO HA 1 53 SER H . . 2.990 2.183 2.089 2.285 . 0 0 "[ . 1 . 2]" 1
1155 1 52 PRO HA 1 55 ILE HG12 . . 5.360 5.096 4.773 5.304 . 0 0 "[ . 1 . 2]" 1
1156 1 52 PRO HB2 1 53 SER H . . 3.950 3.333 3.228 3.510 . 0 0 "[ . 1 . 2]" 1
1157 1 52 PRO HB2 1 55 ILE H . . 4.570 3.356 3.096 3.539 . 0 0 "[ . 1 . 2]" 1
1158 1 52 PRO HB2 1 55 ILE HG13 . . 4.870 4.887 4.625 4.928 0.058 11 0 "[ . 1 . 2]" 1
1159 1 52 PRO HB2 1 55 ILE MG . . 5.050 3.582 3.332 3.919 . 0 0 "[ . 1 . 2]" 1
1160 1 52 PRO HB3 1 53 SER H . . 4.380 3.894 3.750 4.003 . 0 0 "[ . 1 . 2]" 1
1161 1 52 PRO HD2 1 55 ILE MG . . 5.540 3.607 3.196 3.965 . 0 0 "[ . 1 . 2]" 1
1162 1 52 PRO HD3 1 55 ILE MG . . 5.540 4.484 4.171 4.880 . 0 0 "[ . 1 . 2]" 1
1163 1 52 PRO HG2 2 19 GLU H . . 5.130 4.768 4.379 5.189 0.059 20 0 "[ . 1 . 2]" 1
1164 1 52 PRO HG2 1 55 ILE MG . . 5.370 2.184 2.007 2.453 . 0 0 "[ . 1 . 2]" 1
1165 1 52 PRO HG3 2 19 GLU H . . 4.580 4.464 4.090 4.643 0.063 16 0 "[ . 1 . 2]" 1
1166 1 52 PRO HG3 1 55 ILE H . . 4.370 4.436 4.421 4.444 0.074 10 0 "[ . 1 . 2]" 1
1167 1 52 PRO HG3 1 55 ILE HG12 . . 4.620 3.558 3.366 3.734 . 0 0 "[ . 1 . 2]" 1
1168 1 52 PRO HG3 1 55 ILE MD . . 6.520 4.734 4.479 5.041 . 0 0 "[ . 1 . 2]" 1
1169 1 52 PRO HG3 1 55 ILE MG . . 4.800 3.049 2.764 3.381 . 0 0 "[ . 1 . 2]" 1
1170 1 52 PRO QD 2 17 VAL H . . 6.110 4.207 4.055 4.384 . 0 0 "[ . 1 . 2]" 1
1171 1 52 PRO QD 2 17 VAL QG . . 7.020 4.382 3.744 4.690 . 0 0 "[ . 1 . 2]" 1
1172 1 52 PRO QD 2 18 SER H . . 6.100 4.679 4.386 4.823 . 0 0 "[ . 1 . 2]" 1
1173 1 52 PRO QD 2 19 GLU H . . 5.590 4.382 3.959 4.679 . 0 0 "[ . 1 . 2]" 1
1174 1 52 PRO QD 1 55 ILE HG12 . . 4.920 2.425 2.167 2.627 . 0 0 "[ . 1 . 2]" 1
1175 1 52 PRO QD 1 55 ILE MD . . 6.340 3.101 2.806 3.404 . 0 0 "[ . 1 . 2]" 1
1176 1 52 PRO QD 1 55 ILE MG . . 5.880 3.465 3.099 3.796 . 0 0 "[ . 1 . 2]" 1
1177 1 52 PRO QD 1 63 ILE MD . . 7.260 4.294 3.971 4.703 . 0 0 "[ . 1 . 2]" 1
1178 1 53 SER H 1 53 SER HB2 . . 3.860 2.977 2.168 3.544 . 0 0 "[ . 1 . 2]" 1
1179 1 53 SER H 1 53 SER HB3 . . 3.860 2.996 2.232 3.565 . 0 0 "[ . 1 . 2]" 1
1180 1 53 SER H 1 54 ASP H . . 3.460 2.764 2.627 2.918 . 0 0 "[ . 1 . 2]" 1
1181 1 53 SER H 1 91 MET HB3 . . 4.590 4.647 4.638 4.657 0.067 11 0 "[ . 1 . 2]" 1
1182 1 53 SER HA 1 54 ASP H . . 3.560 3.416 3.286 3.524 . 0 0 "[ . 1 . 2]" 1
1183 1 53 SER HA 1 91 MET H . . 4.310 4.136 3.808 4.364 0.054 20 0 "[ . 1 . 2]" 1
1184 1 53 SER HA 1 91 MET HB2 . . 4.030 2.302 2.147 2.467 . 0 0 "[ . 1 . 2]" 1
1185 1 53 SER HA 1 91 MET HB3 . . 4.290 2.312 2.124 2.572 . 0 0 "[ . 1 . 2]" 1
1186 1 53 SER HA 1 92 GLY H . . 3.080 2.726 2.354 3.104 0.024 3 0 "[ . 1 . 2]" 1
1187 1 53 SER HA 1 92 GLY HA3 . . 4.310 3.824 3.408 4.227 . 0 0 "[ . 1 . 2]" 1
1188 1 53 SER HA 1 94 LEU QD . . 7.430 6.383 5.898 6.928 . 0 0 "[ . 1 . 2]" 1
1189 1 53 SER HB2 1 92 GLY H . . 4.360 3.668 2.814 4.417 0.057 8 0 "[ . 1 . 2]" 1
1190 1 53 SER HB3 1 92 GLY H . . 4.360 3.598 2.887 4.428 0.068 14 0 "[ . 1 . 2]" 1
1191 1 53 SER QB 1 54 ASP H . . 4.960 3.374 2.962 3.771 . 0 0 "[ . 1 . 2]" 1
1192 1 53 SER QB 1 92 GLY H . . 4.500 3.064 2.678 3.937 . 0 0 "[ . 1 . 2]" 1
1193 1 53 SER QB 1 92 GLY HA3 . . 4.830 2.605 2.116 3.939 . 0 0 "[ . 1 . 2]" 1
1194 1 54 ASP H 1 54 ASP HB2 . . 3.640 2.334 2.110 2.628 . 0 0 "[ . 1 . 2]" 1
1195 1 54 ASP H 1 54 ASP HB3 . . 3.640 2.959 2.244 3.549 . 0 0 "[ . 1 . 2]" 1
1196 1 54 ASP H 1 55 ILE H . . 3.120 2.633 2.511 2.733 . 0 0 "[ . 1 . 2]" 1
1197 1 54 ASP H 1 55 ILE HG12 . . 4.740 4.759 4.521 4.806 0.066 8 0 "[ . 1 . 2]" 1
1198 1 54 ASP H 1 55 ILE HG13 . . 4.690 4.590 4.238 4.745 0.055 7 0 "[ . 1 . 2]" 1
1199 1 54 ASP H 1 55 ILE MG . . 5.130 4.197 3.815 4.473 . 0 0 "[ . 1 . 2]" 1
1200 1 54 ASP HA 1 92 GLY H . . 4.970 4.601 4.255 5.024 0.054 10 0 "[ . 1 . 2]" 1
1201 1 54 ASP HB2 1 55 ILE H . . 4.760 3.590 2.643 4.162 . 0 0 "[ . 1 . 2]" 1
1202 1 54 ASP HB3 1 55 ILE H . . 4.760 3.169 2.736 3.727 . 0 0 "[ . 1 . 2]" 1
1203 1 54 ASP QB 1 55 ILE H . . 4.830 2.836 2.586 3.053 . 0 0 "[ . 1 . 2]" 1
1204 1 54 ASP QB 1 55 ILE HA . . 5.350 4.009 3.716 4.364 . 0 0 "[ . 1 . 2]" 1
1205 1 54 ASP QB 1 55 ILE MG . . 6.250 3.159 2.815 3.556 . 0 0 "[ . 1 . 2]" 1
1206 1 55 ILE H 1 55 ILE HB . . 3.910 3.656 3.597 3.692 . 0 0 "[ . 1 . 2]" 1
1207 1 55 ILE H 1 55 ILE HG12 . . 3.520 2.754 2.544 2.955 . 0 0 "[ . 1 . 2]" 1
1208 1 55 ILE H 1 55 ILE HG13 . . 3.360 2.417 2.247 2.614 . 0 0 "[ . 1 . 2]" 1
1209 1 55 ILE H 1 55 ILE MD . . 5.150 3.913 3.817 3.976 . 0 0 "[ . 1 . 2]" 1
1210 1 55 ILE H 1 55 ILE MG . . 4.290 2.423 2.159 2.632 . 0 0 "[ . 1 . 2]" 1
1211 1 55 ILE H 1 56 THR H . . 4.640 4.671 4.632 4.689 0.049 5 0 "[ . 1 . 2]" 1
1212 1 55 ILE H 1 91 MET H . . 4.740 4.346 4.184 4.511 . 0 0 "[ . 1 . 2]" 1
1213 1 55 ILE H 1 91 MET HB2 . . 4.150 3.470 3.296 3.681 . 0 0 "[ . 1 . 2]" 1
1214 1 55 ILE H 1 92 GLY H . . 5.310 5.275 5.103 5.362 0.052 2 0 "[ . 1 . 2]" 1
1215 1 55 ILE HA 1 56 THR H . . 3.230 2.483 2.440 2.528 . 0 0 "[ . 1 . 2]" 1
1216 1 55 ILE HA 1 56 THR HA . . 4.410 4.421 4.371 4.450 0.040 3 0 "[ . 1 . 2]" 1
1217 1 55 ILE HA 1 56 THR MG . . 4.990 3.515 3.185 3.729 . 0 0 "[ . 1 . 2]" 1
1218 1 55 ILE HA 1 91 MET H . . 5.160 4.876 4.750 4.970 . 0 0 "[ . 1 . 2]" 1
1219 1 55 ILE HB 2 19 GLU H . . 5.500 4.979 4.380 5.541 0.041 3 0 "[ . 1 . 2]" 1
1220 1 55 ILE HB 1 56 THR H . . 3.210 2.316 2.130 2.448 . 0 0 "[ . 1 . 2]" 1
1221 1 55 ILE HB 1 56 THR MG . . 5.720 4.633 4.311 4.850 . 0 0 "[ . 1 . 2]" 1
1222 1 55 ILE HB 1 59 GLN QB . . 5.160 2.217 2.058 2.479 . 0 0 "[ . 1 . 2]" 1
1223 1 55 ILE HB 1 59 GLN QG . . 5.010 3.112 2.215 4.012 . 0 0 "[ . 1 . 2]" 1
1224 1 55 ILE HG12 1 56 THR H . . 5.300 4.871 4.728 4.993 . 0 0 "[ . 1 . 2]" 1
1225 1 55 ILE HG12 1 63 ILE MD . . 5.780 4.473 4.106 4.955 . 0 0 "[ . 1 . 2]" 1
1226 1 55 ILE HG12 1 91 MET HG2 . . 5.280 4.127 3.848 4.536 . 0 0 "[ . 1 . 2]" 1
1227 1 55 ILE HG12 1 91 MET HG3 . . 4.060 3.372 3.129 3.691 . 0 0 "[ . 1 . 2]" 1
1228 1 55 ILE HG13 1 63 ILE MD . . 6.520 5.306 4.896 5.952 . 0 0 "[ . 1 . 2]" 1
1229 1 55 ILE HG13 1 91 MET HB2 . . 4.180 2.986 2.688 3.356 . 0 0 "[ . 1 . 2]" 1
1230 1 55 ILE HG13 1 91 MET HB3 . . 4.520 4.077 3.863 4.370 . 0 0 "[ . 1 . 2]" 1
1231 1 55 ILE MD 2 17 VAL QG . . 8.020 4.504 3.680 5.238 . 0 0 "[ . 1 . 2]" 1
1232 1 55 ILE MD 2 18 SER HA . . 5.340 3.813 3.350 4.606 . 0 0 "[ . 1 . 2]" 1
1233 1 55 ILE MD 1 56 THR H . . 5.110 3.311 2.994 3.535 . 0 0 "[ . 1 . 2]" 1
1234 1 55 ILE MD 1 56 THR HA . . 5.360 4.251 3.755 4.660 . 0 0 "[ . 1 . 2]" 1
1235 1 55 ILE MD 1 59 GLN H . . 5.200 3.946 3.763 4.142 . 0 0 "[ . 1 . 2]" 1
1236 1 55 ILE MD 1 59 GLN HA . . 5.900 4.510 4.141 4.762 . 0 0 "[ . 1 . 2]" 1
1237 1 55 ILE MD 1 59 GLN HB2 . . 5.600 2.381 2.151 2.683 . 0 0 "[ . 1 . 2]" 1
1238 1 55 ILE MD 1 59 GLN HB3 . . 5.600 3.056 2.373 3.487 . 0 0 "[ . 1 . 2]" 1
1239 1 55 ILE MD 1 59 GLN QB . . 5.720 2.293 2.083 2.552 . 0 0 "[ . 1 . 2]" 1
1240 1 55 ILE MD 1 59 GLN QG . . 6.330 3.871 3.447 4.314 . 0 0 "[ . 1 . 2]" 1
1241 1 55 ILE MD 1 60 PHE H . . 4.590 2.472 2.266 2.694 . 0 0 "[ . 1 . 2]" 1
1242 1 55 ILE MD 1 60 PHE HA . . 5.140 2.846 2.602 3.166 . 0 0 "[ . 1 . 2]" 1
1243 1 55 ILE MD 1 60 PHE HB2 . . 5.180 2.168 2.033 2.314 . 0 0 "[ . 1 . 2]" 1
1244 1 55 ILE MD 1 60 PHE HB3 . . 5.000 3.428 3.159 3.552 . 0 0 "[ . 1 . 2]" 1
1245 1 55 ILE MD 1 60 PHE QD . . 7.230 3.596 3.333 3.865 . 0 0 "[ . 1 . 2]" 1
1246 1 55 ILE MD 1 91 MET H . . 5.460 4.645 4.133 4.983 . 0 0 "[ . 1 . 2]" 1
1247 1 55 ILE MD 1 91 MET HB2 . . 5.440 4.187 3.732 4.603 . 0 0 "[ . 1 . 2]" 1
1248 1 55 ILE MD 1 91 MET HB3 . . 5.490 4.668 4.313 5.057 . 0 0 "[ . 1 . 2]" 1
1249 1 55 ILE MD 1 91 MET HG2 . . 4.790 2.782 2.392 3.233 . 0 0 "[ . 1 . 2]" 1
1250 1 55 ILE MD 1 91 MET HG3 . . 4.790 2.608 2.270 2.968 . 0 0 "[ . 1 . 2]" 1
1251 1 55 ILE MG 2 18 SER HA . . 4.990 3.767 3.233 4.463 . 0 0 "[ . 1 . 2]" 1
1252 1 55 ILE MG 2 19 GLU H . . 4.820 2.970 2.406 3.776 . 0 0 "[ . 1 . 2]" 1
1253 1 55 ILE MG 2 19 GLU QG . . 6.270 4.906 2.643 6.359 0.089 3 0 "[ . 1 . 2]" 1
1254 1 55 ILE MG 1 56 THR H . . 4.850 3.637 3.463 3.715 . 0 0 "[ . 1 . 2]" 1
1255 1 55 ILE MG 1 59 GLN H . . 6.520 5.517 5.219 5.801 . 0 0 "[ . 1 . 2]" 1
1256 1 55 ILE MG 1 59 GLN HB2 . . 5.500 3.588 3.193 3.866 . 0 0 "[ . 1 . 2]" 1
1257 1 55 ILE MG 1 59 GLN HB3 . . 5.500 3.532 3.147 4.035 . 0 0 "[ . 1 . 2]" 1
1258 1 55 ILE MG 1 59 GLN HE22 . . 5.710 4.058 2.631 5.552 . 0 0 "[ . 1 . 2]" 1
1259 1 55 ILE MG 1 59 GLN QG . . 6.400 3.591 2.825 4.616 . 0 0 "[ . 1 . 2]" 1
1260 1 55 ILE MG 1 63 ILE MD . . 5.880 3.737 3.372 4.441 . 0 0 "[ . 1 . 2]" 1
1261 1 55 ILE MG 1 91 MET HG3 . . 6.090 4.890 4.751 5.233 . 0 0 "[ . 1 . 2]" 1
1262 1 56 THR H 1 56 THR HB . . 4.140 3.607 3.524 3.693 . 0 0 "[ . 1 . 2]" 1
1263 1 56 THR H 1 56 THR MG . . 4.160 2.773 2.521 2.965 . 0 0 "[ . 1 . 2]" 1
1264 1 56 THR H 1 59 GLN H . . 3.890 3.422 3.239 3.634 . 0 0 "[ . 1 . 2]" 1
1265 1 56 THR H 1 59 GLN HG2 . . 4.520 3.471 2.307 4.562 0.042 2 0 "[ . 1 . 2]" 1
1266 1 56 THR H 1 59 GLN HG3 . . 4.520 2.880 2.030 3.622 . 0 0 "[ . 1 . 2]" 1
1267 1 56 THR H 1 59 GLN QB . . 4.280 2.708 2.380 3.090 . 0 0 "[ . 1 . 2]" 1
1268 1 56 THR H 1 59 GLN QG . . 4.800 2.627 2.005 3.312 . 0 0 "[ . 1 . 2]" 1
1269 1 56 THR H 1 90 THR HA . . 4.840 4.582 4.440 4.734 . 0 0 "[ . 1 . 2]" 1
1270 1 56 THR H 1 91 MET H . . 5.000 4.767 4.649 4.919 . 0 0 "[ . 1 . 2]" 1
1271 1 56 THR HA 1 57 VAL H . . 3.240 2.365 2.227 2.428 . 0 0 "[ . 1 . 2]" 1
1272 1 56 THR HA 1 57 VAL MG2 . . 5.290 3.712 3.496 3.810 . 0 0 "[ . 1 . 2]" 1
1273 1 56 THR HA 1 58 ALA H . . 4.710 4.266 4.165 4.441 . 0 0 "[ . 1 . 2]" 1
1274 1 56 THR HA 1 90 THR H . . 4.780 4.623 4.535 4.739 . 0 0 "[ . 1 . 2]" 1
1275 1 56 THR HA 1 90 THR HA . . 3.410 2.051 1.918 2.270 . 0 0 "[ . 1 . 2]" 1
1276 1 56 THR HA 1 90 THR MG . . 5.280 3.377 2.988 3.616 . 0 0 "[ . 1 . 2]" 1
1277 1 56 THR HA 1 91 MET H . . 3.790 2.897 2.734 3.205 . 0 0 "[ . 1 . 2]" 1
1278 1 56 THR HB 1 57 VAL H . . 3.340 2.470 2.297 2.690 . 0 0 "[ . 1 . 2]" 1
1279 1 56 THR HB 1 57 VAL MG2 . . 5.650 4.185 3.667 4.444 . 0 0 "[ . 1 . 2]" 1
1280 1 56 THR HB 1 58 ALA H . . 3.670 2.710 2.463 3.006 . 0 0 "[ . 1 . 2]" 1
1281 1 56 THR HB 1 58 ALA MB . . 5.300 3.420 2.958 3.757 . 0 0 "[ . 1 . 2]" 1
1282 1 56 THR HB 1 88 SER HA . . 3.950 3.233 2.528 3.892 . 0 0 "[ . 1 . 2]" 1
1283 1 56 THR HB 1 89 LEU H . . 4.620 4.293 3.906 4.659 0.039 15 0 "[ . 1 . 2]" 1
1284 1 56 THR MG 1 57 VAL H . . 4.830 3.570 3.441 3.739 . 0 0 "[ . 1 . 2]" 1
1285 1 56 THR MG 1 57 VAL HB . . 6.520 5.241 5.013 5.693 . 0 0 "[ . 1 . 2]" 1
1286 1 56 THR MG 1 58 ALA H . . 5.750 4.298 4.137 4.563 . 0 0 "[ . 1 . 2]" 1
1287 1 56 THR MG 1 59 GLN H . . 5.610 4.610 4.250 4.851 . 0 0 "[ . 1 . 2]" 1
1288 1 56 THR MG 1 59 GLN HG2 . . 5.900 4.769 3.525 5.814 . 0 0 "[ . 1 . 2]" 1
1289 1 56 THR MG 1 59 GLN HG3 . . 5.900 4.385 3.696 4.993 . 0 0 "[ . 1 . 2]" 1
1290 1 56 THR MG 1 59 GLN QG . . 6.100 3.936 3.408 4.345 . 0 0 "[ . 1 . 2]" 1
1291 1 56 THR MG 1 88 SER HA . . 4.870 3.388 2.816 4.099 . 0 0 "[ . 1 . 2]" 1
1292 1 56 THR MG 1 88 SER QB . . 7.160 4.629 3.544 5.299 . 0 0 "[ . 1 . 2]" 1
1293 1 56 THR MG 1 90 THR H . . 5.140 3.879 3.582 4.671 . 0 0 "[ . 1 . 2]" 1
1294 1 56 THR MG 1 90 THR HA . . 4.630 2.374 2.134 2.829 . 0 0 "[ . 1 . 2]" 1
1295 1 56 THR MG 1 91 MET H . . 4.690 4.033 3.803 4.395 . 0 0 "[ . 1 . 2]" 1
1296 1 56 THR MG 1 91 MET HG2 . . 6.520 5.204 5.024 5.388 . 0 0 "[ . 1 . 2]" 1
1297 1 57 VAL H 1 57 VAL HB . . 3.190 2.440 2.286 2.939 . 0 0 "[ . 1 . 2]" 1
1298 1 57 VAL H 1 57 VAL MG2 . . 4.050 2.100 1.898 2.218 . 0 0 "[ . 1 . 2]" 1
1299 1 57 VAL H 1 58 ALA H . . 3.360 2.809 2.696 2.958 . 0 0 "[ . 1 . 2]" 1
1300 1 57 VAL H 1 87 SER HA . . 4.220 4.174 4.025 4.278 0.058 19 0 "[ . 1 . 2]" 1
1301 1 57 VAL H 1 89 LEU H . . 4.610 3.880 3.546 4.243 . 0 0 "[ . 1 . 2]" 1
1302 1 57 VAL H 1 89 LEU HA . . 5.220 5.007 4.922 5.126 . 0 0 "[ . 1 . 2]" 1
1303 1 57 VAL H 1 89 LEU HB2 . . 5.490 5.332 5.239 5.504 0.014 17 0 "[ . 1 . 2]" 1
1304 1 57 VAL H 1 89 LEU HB3 . . 5.010 3.979 3.800 4.265 . 0 0 "[ . 1 . 2]" 1
1305 1 57 VAL H 1 90 THR MG . . 6.520 5.013 4.763 5.363 . 0 0 "[ . 1 . 2]" 1
1306 1 57 VAL H 1 91 MET H . . 4.560 4.557 4.356 4.617 0.057 19 0 "[ . 1 . 2]" 1
1307 1 57 VAL H 1 91 MET HA . . 4.960 5.017 4.978 5.027 0.067 16 0 "[ . 1 . 2]" 1
1308 1 57 VAL H 1 91 MET ME . . 6.430 3.623 2.847 6.214 . 0 0 "[ . 1 . 2]" 1
1309 1 57 VAL HA 1 60 PHE H . . 3.700 3.425 3.261 3.537 . 0 0 "[ . 1 . 2]" 1
1310 1 57 VAL HA 1 60 PHE HB2 . . 4.110 3.476 3.265 3.732 . 0 0 "[ . 1 . 2]" 1
1311 1 57 VAL HA 1 60 PHE HB3 . . 3.720 2.553 2.297 2.826 . 0 0 "[ . 1 . 2]" 1
1312 1 57 VAL HA 1 60 PHE QD . . 6.340 3.421 2.919 3.682 . 0 0 "[ . 1 . 2]" 1
1313 1 57 VAL HA 1 61 MET H . . 4.210 3.794 3.526 4.155 . 0 0 "[ . 1 . 2]" 1
1314 1 57 VAL HA 1 85 PRO HB2 . . 5.450 5.284 4.983 5.516 0.066 14 0 "[ . 1 . 2]" 1
1315 1 57 VAL HA 1 87 SER HA . . 4.800 4.574 4.388 4.780 . 0 0 "[ . 1 . 2]" 1
1316 1 57 VAL HA 1 91 MET HG3 . . 5.500 5.423 5.164 5.555 0.055 19 0 "[ . 1 . 2]" 1
1317 1 57 VAL HA 1 91 MET ME . . 5.220 2.556 1.949 5.280 0.060 16 0 "[ . 1 . 2]" 1
1318 1 57 VAL HB 1 58 ALA H . . 3.310 2.849 2.688 3.029 . 0 0 "[ . 1 . 2]" 1
1319 1 57 VAL HB 1 58 ALA MB . . 5.180 4.259 4.119 4.377 . 0 0 "[ . 1 . 2]" 1
1320 1 57 VAL HB 1 87 SER H . . 4.300 4.293 4.090 4.365 0.065 9 0 "[ . 1 . 2]" 1
1321 1 57 VAL HB 1 87 SER HA . . 3.260 2.136 1.956 2.308 . 0 0 "[ . 1 . 2]" 1
1322 1 57 VAL HB 1 87 SER QB . . 5.250 4.007 3.833 4.320 . 0 0 "[ . 1 . 2]" 1
1323 1 57 VAL HB 1 88 SER H . . 4.720 4.441 4.090 4.762 0.042 8 0 "[ . 1 . 2]" 1
1324 1 57 VAL HB 1 89 LEU H . . 4.190 3.392 2.980 3.994 . 0 0 "[ . 1 . 2]" 1
1325 1 57 VAL MG1 1 58 ALA H . . 4.620 3.599 3.386 4.098 . 0 0 "[ . 1 . 2]" 1
1326 1 57 VAL MG1 1 58 ALA HA . . 5.450 3.686 3.437 4.389 . 0 0 "[ . 1 . 2]" 1
1327 1 57 VAL MG1 1 58 ALA MB . . 6.370 4.336 4.118 4.921 . 0 0 "[ . 1 . 2]" 1
1328 1 57 VAL MG1 1 60 PHE HB3 . . 5.800 3.736 3.320 3.977 . 0 0 "[ . 1 . 2]" 1
1329 1 57 VAL MG1 1 60 PHE QD . . 7.420 3.742 2.690 4.268 . 0 0 "[ . 1 . 2]" 1
1330 1 57 VAL MG1 1 61 MET QB . . 6.670 3.122 2.875 3.573 . 0 0 "[ . 1 . 2]" 1
1331 1 57 VAL MG1 1 61 MET ME . . 6.070 4.825 3.511 5.843 . 0 0 "[ . 1 . 2]" 1
1332 1 57 VAL MG1 1 78 LEU H . . 6.520 6.354 6.035 6.589 0.069 15 0 "[ . 1 . 2]" 1
1333 1 57 VAL MG1 1 78 LEU HB2 . . 4.990 4.632 4.360 4.894 . 0 0 "[ . 1 . 2]" 1
1334 1 57 VAL MG1 1 85 PRO HA . . 5.880 4.321 3.930 4.667 . 0 0 "[ . 1 . 2]" 1
1335 1 57 VAL MG1 1 85 PRO HB2 . . 4.790 2.243 2.068 2.416 . 0 0 "[ . 1 . 2]" 1
1336 1 57 VAL MG1 1 85 PRO HD2 . . 5.580 4.416 4.018 4.772 . 0 0 "[ . 1 . 2]" 1
1337 1 57 VAL MG1 1 85 PRO HG2 . . 4.450 2.566 2.194 2.989 . 0 0 "[ . 1 . 2]" 1
1338 1 57 VAL MG1 1 85 PRO HG3 . . 4.700 3.470 3.098 4.042 . 0 0 "[ . 1 . 2]" 1
1339 1 57 VAL MG1 1 86 GLN H . . 6.050 4.188 3.757 4.697 . 0 0 "[ . 1 . 2]" 1
1340 1 57 VAL MG1 1 86 GLN HA . . 5.580 4.432 4.041 5.225 . 0 0 "[ . 1 . 2]" 1
1341 1 57 VAL MG1 1 87 SER H . . 5.410 3.886 3.493 4.782 . 0 0 "[ . 1 . 2]" 1
1342 1 57 VAL MG1 1 87 SER HA . . 4.280 2.408 2.165 3.310 . 0 0 "[ . 1 . 2]" 1
1343 1 57 VAL MG1 1 87 SER QB . . 6.230 3.676 3.204 4.795 . 0 0 "[ . 1 . 2]" 1
1344 1 57 VAL MG1 1 88 SER H . . 6.520 5.104 4.679 5.882 . 0 0 "[ . 1 . 2]" 1
1345 1 57 VAL MG2 1 58 ALA H . . 5.100 4.014 3.669 4.121 . 0 0 "[ . 1 . 2]" 1
1346 1 57 VAL MG2 1 60 PHE HB2 . . 6.150 4.971 4.657 5.352 . 0 0 "[ . 1 . 2]" 1
1347 1 57 VAL MG2 1 60 PHE HB3 . . 5.810 4.309 3.923 4.615 . 0 0 "[ . 1 . 2]" 1
1348 1 57 VAL MG2 1 60 PHE QD . . 8.240 3.964 3.488 4.437 . 0 0 "[ . 1 . 2]" 1
1349 1 57 VAL MG2 1 85 PRO HA . . 5.540 4.379 3.985 4.796 . 0 0 "[ . 1 . 2]" 1
1350 1 57 VAL MG2 1 85 PRO HB2 . . 4.340 2.506 2.208 2.961 . 0 0 "[ . 1 . 2]" 1
1351 1 57 VAL MG2 1 85 PRO HB3 . . 4.510 3.748 3.539 4.112 . 0 0 "[ . 1 . 2]" 1
1352 1 57 VAL MG2 1 86 GLN QB . . 6.140 4.329 3.930 4.873 . 0 0 "[ . 1 . 2]" 1
1353 1 57 VAL MG2 1 86 GLN QG . . 7.160 4.832 4.444 5.019 . 0 0 "[ . 1 . 2]" 1
1354 1 57 VAL MG2 1 87 SER H . . 5.900 4.940 4.631 5.212 . 0 0 "[ . 1 . 2]" 1
1355 1 57 VAL MG2 1 87 SER HA . . 4.910 3.715 3.389 3.931 . 0 0 "[ . 1 . 2]" 1
1356 1 57 VAL MG2 1 88 SER H . . 6.140 5.082 4.500 5.423 . 0 0 "[ . 1 . 2]" 1
1357 1 57 VAL MG2 1 89 LEU H . . 5.130 3.364 2.697 3.863 . 0 0 "[ . 1 . 2]" 1
1358 1 57 VAL MG2 1 89 LEU HA . . 5.530 4.444 4.050 4.855 . 0 0 "[ . 1 . 2]" 1
1359 1 57 VAL MG2 1 89 LEU HB2 . . 4.950 3.695 3.425 4.097 . 0 0 "[ . 1 . 2]" 1
1360 1 57 VAL MG2 1 89 LEU HB3 . . 4.580 2.327 2.044 2.843 . 0 0 "[ . 1 . 2]" 1
1361 1 57 VAL MG2 1 89 LEU HG . . 5.110 3.666 3.062 4.412 . 0 0 "[ . 1 . 2]" 1
1362 1 57 VAL MG2 1 90 THR H . . 6.050 4.553 4.126 4.960 . 0 0 "[ . 1 . 2]" 1
1363 1 57 VAL MG2 1 90 THR HA . . 6.100 4.155 3.780 4.636 . 0 0 "[ . 1 . 2]" 1
1364 1 57 VAL MG2 1 91 MET H . . 6.030 4.570 4.304 4.869 . 0 0 "[ . 1 . 2]" 1
1365 1 57 VAL MG2 1 91 MET HA . . 5.420 3.756 3.496 4.031 . 0 0 "[ . 1 . 2]" 1
1366 1 57 VAL MG2 1 91 MET HG2 . . 5.640 4.244 4.019 4.525 . 0 0 "[ . 1 . 2]" 1
1367 1 57 VAL MG2 1 94 LEU HB2 . . 5.340 3.215 2.914 3.524 . 0 0 "[ . 1 . 2]" 1
1368 1 57 VAL MG2 1 94 LEU HB3 . . 4.740 3.575 3.261 3.780 . 0 0 "[ . 1 . 2]" 1
1369 1 57 VAL MG2 1 94 LEU QD . . 6.130 1.989 1.842 2.191 . 0 0 "[ . 1 . 2]" 1
1370 1 58 ALA H 1 59 GLN H . . 3.530 2.823 2.725 2.946 . 0 0 "[ . 1 . 2]" 1
1371 1 58 ALA H 1 60 PHE H . . 4.400 4.246 4.131 4.386 . 0 0 "[ . 1 . 2]" 1
1372 1 58 ALA H 1 87 SER HA . . 3.380 2.997 2.819 3.170 . 0 0 "[ . 1 . 2]" 1
1373 1 58 ALA H 1 87 SER QB . . 5.360 3.459 3.206 3.679 . 0 0 "[ . 1 . 2]" 1
1374 1 58 ALA H 1 88 SER H . . 5.170 5.012 4.848 5.179 0.009 10 0 "[ . 1 . 2]" 1
1375 1 58 ALA H 1 88 SER HA . . 4.930 4.241 3.956 4.648 . 0 0 "[ . 1 . 2]" 1
1376 1 58 ALA HA 1 61 MET H . . 3.950 3.768 3.499 3.959 0.009 3 0 "[ . 1 . 2]" 1
1377 1 58 ALA HA 1 61 MET HB2 . . 4.240 3.828 3.439 4.288 0.048 15 0 "[ . 1 . 2]" 1
1378 1 58 ALA HA 1 61 MET HB3 . . 4.240 2.881 2.439 3.382 . 0 0 "[ . 1 . 2]" 1
1379 1 58 ALA HA 1 61 MET QB . . 4.440 2.796 2.401 3.207 . 0 0 "[ . 1 . 2]" 1
1380 1 58 ALA HA 1 61 MET ME . . 4.650 3.774 2.351 4.704 0.054 10 0 "[ . 1 . 2]" 1
1381 1 58 ALA HA 1 62 TRP HE1 . . 5.360 5.146 4.620 5.419 0.059 16 0 "[ . 1 . 2]" 1
1382 1 58 ALA HA 1 87 SER HA . . 4.120 3.518 3.214 3.748 . 0 0 "[ . 1 . 2]" 1
1383 1 58 ALA HA 1 87 SER QB . . 4.750 2.870 2.305 3.275 . 0 0 "[ . 1 . 2]" 1
1384 1 58 ALA MB 1 59 GLN H . . 4.360 2.416 2.288 2.559 . 0 0 "[ . 1 . 2]" 1
1385 1 58 ALA MB 1 59 GLN HA . . 5.560 3.832 3.739 3.887 . 0 0 "[ . 1 . 2]" 1
1386 1 58 ALA MB 1 59 GLN HG2 . . 5.940 3.580 2.997 4.450 . 0 0 "[ . 1 . 2]" 1
1387 1 58 ALA MB 1 59 GLN HG3 . . 5.940 3.978 2.909 4.886 . 0 0 "[ . 1 . 2]" 1
1388 1 58 ALA MB 1 59 GLN QB . . 6.620 4.236 4.061 4.384 . 0 0 "[ . 1 . 2]" 1
1389 1 58 ALA MB 1 59 GLN QG . . 5.940 3.092 2.827 3.404 . 0 0 "[ . 1 . 2]" 1
1390 1 58 ALA MB 1 60 PHE H . . 5.600 4.542 4.414 4.639 . 0 0 "[ . 1 . 2]" 1
1391 1 58 ALA MB 1 61 MET H . . 6.040 4.821 4.648 4.992 . 0 0 "[ . 1 . 2]" 1
1392 1 58 ALA MB 1 61 MET ME . . 6.170 4.422 3.364 5.146 . 0 0 "[ . 1 . 2]" 1
1393 1 58 ALA MB 1 62 TRP HD1 . . 5.390 3.651 2.921 4.413 . 0 0 "[ . 1 . 2]" 1
1394 1 58 ALA MB 1 62 TRP HE1 . . 5.360 4.274 3.747 5.044 . 0 0 "[ . 1 . 2]" 1
1395 1 58 ALA MB 1 87 SER H . . 6.010 5.025 4.840 5.224 . 0 0 "[ . 1 . 2]" 1
1396 1 58 ALA MB 1 87 SER HA . . 5.410 3.372 3.155 3.550 . 0 0 "[ . 1 . 2]" 1
1397 1 58 ALA MB 1 87 SER QB . . 5.070 2.118 1.984 2.291 . 0 0 "[ . 1 . 2]" 1
1398 1 59 GLN H 1 59 GLN HB2 . . 3.700 2.487 2.256 2.713 . 0 0 "[ . 1 . 2]" 1
1399 1 59 GLN H 1 59 GLN HB3 . . 3.700 3.574 3.501 3.647 . 0 0 "[ . 1 . 2]" 1
1400 1 59 GLN H 1 59 GLN HE22 . . 4.990 4.643 3.555 5.059 0.069 1 0 "[ . 1 . 2]" 1
1401 1 59 GLN H 1 59 GLN HG2 . . 3.800 2.728 2.008 3.694 . 0 0 "[ . 1 . 2]" 1
1402 1 59 GLN H 1 59 GLN HG3 . . 3.800 2.954 1.954 3.847 0.047 15 0 "[ . 1 . 2]" 1
1403 1 59 GLN H 1 59 GLN QG . . 4.050 2.196 1.937 2.588 . 0 0 "[ . 1 . 2]" 1
1404 1 59 GLN H 1 60 PHE H . . 3.330 2.687 2.619 2.815 . 0 0 "[ . 1 . 2]" 1
1405 1 59 GLN HA 1 59 GLN HG2 . . 4.140 2.900 2.409 3.545 . 0 0 "[ . 1 . 2]" 1
1406 1 59 GLN HA 1 59 GLN HG3 . . 4.140 3.514 2.871 3.928 . 0 0 "[ . 1 . 2]" 1
1407 1 59 GLN HA 1 60 PHE HA . . 4.940 4.818 4.767 4.864 . 0 0 "[ . 1 . 2]" 1
1408 1 59 GLN HA 1 62 TRP H . . 4.260 3.459 3.190 3.712 . 0 0 "[ . 1 . 2]" 1
1409 1 59 GLN HA 1 62 TRP HB2 . . 4.240 2.623 2.340 2.847 . 0 0 "[ . 1 . 2]" 1
1410 1 59 GLN HA 1 62 TRP HB3 . . 4.240 4.146 3.861 4.298 0.058 4 0 "[ . 1 . 2]" 1
1411 1 59 GLN HA 1 62 TRP HD1 . . 4.580 4.232 3.221 4.635 0.055 3 0 "[ . 1 . 2]" 1
1412 1 59 GLN HA 1 62 TRP QB . . 4.450 2.595 2.321 2.809 . 0 0 "[ . 1 . 2]" 1
1413 1 59 GLN HA 1 63 ILE QG . . 5.330 3.994 3.640 4.276 . 0 0 "[ . 1 . 2]" 1
1414 1 59 GLN HB2 1 60 PHE H . . 3.850 2.523 2.303 2.715 . 0 0 "[ . 1 . 2]" 1
1415 1 59 GLN HB3 1 60 PHE H . . 3.850 3.618 3.395 3.849 . 0 0 "[ . 1 . 2]" 1
1416 1 59 GLN HG2 1 60 PHE H . . 5.500 4.566 3.978 5.083 . 0 0 "[ . 1 . 2]" 1
1417 1 59 GLN HG3 1 60 PHE H . . 5.500 4.570 4.200 5.110 . 0 0 "[ . 1 . 2]" 1
1418 1 59 GLN QB 2 18 SER HA . . 6.220 5.371 4.723 5.839 . 0 0 "[ . 1 . 2]" 1
1419 1 59 GLN QB 2 19 GLU H . . 6.220 4.287 3.681 4.770 . 0 0 "[ . 1 . 2]" 1
1420 1 59 GLN QB 1 60 PHE HA . . 5.800 3.868 3.755 4.035 . 0 0 "[ . 1 . 2]" 1
1421 1 59 GLN QB 1 63 ILE MD . . 6.680 2.911 2.341 3.378 . 0 0 "[ . 1 . 2]" 1
1422 1 59 GLN QG 1 60 PHE H . . 5.630 4.004 3.797 4.246 . 0 0 "[ . 1 . 2]" 1
1423 1 60 PHE H 1 60 PHE HB2 . . 3.240 2.494 2.360 2.693 . 0 0 "[ . 1 . 2]" 1
1424 1 60 PHE H 1 60 PHE HB3 . . 3.260 2.505 2.290 2.635 . 0 0 "[ . 1 . 2]" 1
1425 1 60 PHE H 1 61 MET H . . 3.280 2.843 2.763 2.977 . 0 0 "[ . 1 . 2]" 1
1426 1 60 PHE H 1 62 TRP H . . 4.480 4.291 4.156 4.405 . 0 0 "[ . 1 . 2]" 1
1427 1 60 PHE H 1 91 MET HG2 . . 5.500 4.786 4.530 5.142 . 0 0 "[ . 1 . 2]" 1
1428 1 60 PHE HA 1 62 TRP H . . 4.860 4.583 4.344 4.764 . 0 0 "[ . 1 . 2]" 1
1429 1 60 PHE HA 1 63 ILE H . . 3.890 3.536 3.312 3.797 . 0 0 "[ . 1 . 2]" 1
1430 1 60 PHE HA 1 63 ILE HB . . 3.710 2.990 2.635 3.381 . 0 0 "[ . 1 . 2]" 1
1431 1 60 PHE HA 1 63 ILE MD . . 4.600 2.265 2.044 2.866 . 0 0 "[ . 1 . 2]" 1
1432 1 60 PHE HA 1 63 ILE QG . . 5.960 3.821 3.585 4.375 . 0 0 "[ . 1 . 2]" 1
1433 1 60 PHE HA 1 63 ILE MG . . 5.780 4.401 3.975 4.779 . 0 0 "[ . 1 . 2]" 1
1434 1 60 PHE HB2 1 61 MET H . . 3.990 3.844 3.684 3.944 . 0 0 "[ . 1 . 2]" 1
1435 1 60 PHE HB3 1 61 MET H . . 3.250 2.492 2.327 2.639 . 0 0 "[ . 1 . 2]" 1
1436 1 60 PHE HB3 1 63 ILE MD . . 6.520 4.936 4.698 5.398 . 0 0 "[ . 1 . 2]" 1
1437 1 60 PHE HB3 1 78 LEU QD . . 6.670 4.428 3.866 4.719 . 0 0 "[ . 1 . 2]" 1
1438 1 60 PHE HZ 1 107 VAL MG1 . . 5.880 3.507 2.474 5.655 . 0 0 "[ . 1 . 2]" 1
1439 1 60 PHE HZ 1 107 VAL MG2 . . 5.880 4.468 3.451 5.847 . 0 0 "[ . 1 . 2]" 1
1440 1 60 PHE HZ 1 107 VAL QG . . 6.270 3.195 2.458 4.475 . 0 0 "[ . 1 . 2]" 1
1441 1 60 PHE HZ 1 64 ILE MD . . 5.350 2.921 2.438 3.472 . 0 0 "[ . 1 . 2]" 1
1442 1 60 PHE QD 1 107 VAL MG1 . . 7.650 4.655 4.221 5.372 . 0 0 "[ . 1 . 2]" 1
1443 1 60 PHE QD 1 107 VAL MG2 . . 7.650 4.701 4.119 5.910 . 0 0 "[ . 1 . 2]" 1
1444 1 60 PHE QD 2 17 VAL MG1 . . 8.150 3.613 2.459 4.805 . 0 0 "[ . 1 . 2]" 1
1445 1 60 PHE QD 2 17 VAL MG2 . . 8.150 5.408 4.478 6.023 . 0 0 "[ . 1 . 2]" 1
1446 1 60 PHE QD 1 61 MET H . . 6.350 4.089 3.642 4.274 . 0 0 "[ . 1 . 2]" 1
1447 1 60 PHE QD 1 63 ILE HB . . 6.050 3.232 2.747 3.749 . 0 0 "[ . 1 . 2]" 1
1448 1 60 PHE QD 1 63 ILE MD . . 6.910 3.374 2.742 4.162 . 0 0 "[ . 1 . 2]" 1
1449 1 60 PHE QD 1 63 ILE MG . . 8.400 4.155 3.663 4.682 . 0 0 "[ . 1 . 2]" 1
1450 1 60 PHE QD 1 78 LEU QD . . 7.870 3.992 3.510 4.386 . 0 0 "[ . 1 . 2]" 1
1451 1 60 PHE QE 1 107 VAL MG1 . . 7.080 3.080 2.366 4.854 . 0 0 "[ . 1 . 2]" 1
1452 1 60 PHE QE 1 107 VAL MG2 . . 7.080 3.408 2.435 5.087 . 0 0 "[ . 1 . 2]" 1
1453 1 60 PHE QE 2 17 VAL QG . . 7.800 3.558 2.700 4.415 . 0 0 "[ . 1 . 2]" 1
1454 1 60 PHE QE 1 63 ILE MD . . 8.170 5.095 4.515 5.858 . 0 0 "[ . 1 . 2]" 1
1455 1 60 PHE QE 1 64 ILE MD . . 7.180 2.738 2.335 2.948 . 0 0 "[ . 1 . 2]" 1
1456 1 60 PHE QE 1 78 LEU QD . . 8.390 3.995 3.190 4.432 . 0 0 "[ . 1 . 2]" 1
1457 1 61 MET H 1 61 MET HB2 . . 3.170 2.453 2.254 2.592 . 0 0 "[ . 1 . 2]" 1
1458 1 61 MET H 1 61 MET HB3 . . 3.170 2.477 2.309 2.714 . 0 0 "[ . 1 . 2]" 1
1459 1 61 MET H 1 61 MET HG3 . . 4.450 4.385 4.197 4.493 0.043 10 0 "[ . 1 . 2]" 1
1460 1 61 MET H 1 61 MET ME . . 5.360 4.941 4.190 5.435 0.075 18 0 "[ . 1 . 2]" 1
1461 1 61 MET H 1 62 TRP H . . 3.420 2.868 2.788 2.973 . 0 0 "[ . 1 . 2]" 1
1462 1 61 MET H 1 63 ILE H . . 4.530 4.293 4.183 4.435 . 0 0 "[ . 1 . 2]" 1
1463 1 61 MET H 1 78 LEU QD . . 5.940 3.871 3.519 4.341 . 0 0 "[ . 1 . 2]" 1
1464 1 61 MET HA 1 61 MET HG2 . . 4.140 3.104 2.789 3.271 . 0 0 "[ . 1 . 2]" 1
1465 1 61 MET HA 1 61 MET HG3 . . 3.700 2.537 2.255 2.765 . 0 0 "[ . 1 . 2]" 1
1466 1 61 MET HA 1 61 MET ME . . 5.650 4.651 4.300 4.859 . 0 0 "[ . 1 . 2]" 1
1467 1 61 MET HA 1 62 TRP HA . . 5.060 4.814 4.755 4.874 . 0 0 "[ . 1 . 2]" 1
1468 1 61 MET HA 1 64 ILE H . . 3.800 3.485 3.394 3.642 . 0 0 "[ . 1 . 2]" 1
1469 1 61 MET HA 1 64 ILE HB . . 3.800 2.826 2.485 3.446 . 0 0 "[ . 1 . 2]" 1
1470 1 61 MET HA 1 64 ILE HG13 . . 4.560 3.790 2.556 4.288 . 0 0 "[ . 1 . 2]" 1
1471 1 61 MET HA 1 64 ILE MD . . 5.060 2.446 2.151 3.158 . 0 0 "[ . 1 . 2]" 1
1472 1 61 MET HA 1 76 ILE MD . . 6.140 5.740 5.059 6.215 0.075 13 0 "[ . 1 . 2]" 1
1473 1 61 MET HA 1 78 LEU QD . . 5.760 2.331 2.045 2.905 . 0 0 "[ . 1 . 2]" 1
1474 1 61 MET HB2 1 61 MET ME . . 4.220 3.632 2.587 4.132 . 0 0 "[ . 1 . 2]" 1
1475 1 61 MET HB2 1 62 TRP H . . 4.270 3.927 3.790 4.045 . 0 0 "[ . 1 . 2]" 1
1476 1 61 MET HB3 1 61 MET ME . . 4.220 2.887 2.125 3.564 . 0 0 "[ . 1 . 2]" 1
1477 1 61 MET HB3 1 62 TRP H . . 4.270 2.590 2.412 2.793 . 0 0 "[ . 1 . 2]" 1
1478 1 61 MET HG2 1 62 TRP H . . 4.620 3.666 3.360 4.176 . 0 0 "[ . 1 . 2]" 1
1479 1 61 MET HG2 1 62 TRP HA . . 4.540 3.693 3.432 4.310 . 0 0 "[ . 1 . 2]" 1
1480 1 61 MET HG2 1 65 ARG H . . 4.370 4.394 4.290 4.440 0.070 6 0 "[ . 1 . 2]" 1
1481 1 61 MET HG2 1 65 ARG HG2 . . 4.320 3.860 3.051 4.360 0.040 19 0 "[ . 1 . 2]" 1
1482 1 61 MET HG2 1 76 ILE MG . . 4.880 3.878 3.433 4.400 . 0 0 "[ . 1 . 2]" 1
1483 1 61 MET HG2 1 78 LEU MD1 . . 6.310 3.603 3.459 4.003 . 0 0 "[ . 1 . 2]" 1
1484 1 61 MET HG2 1 78 LEU MD2 . . 6.310 5.194 3.784 6.239 . 0 0 "[ . 1 . 2]" 1
1485 1 61 MET HG2 1 78 LEU QD . . 6.680 3.522 3.229 3.958 . 0 0 "[ . 1 . 2]" 1
1486 1 61 MET HG3 1 64 ILE HB . . 4.440 4.246 3.687 4.493 0.053 9 0 "[ . 1 . 2]" 1
1487 1 61 MET HG3 1 76 ILE MD . . 5.420 5.053 4.353 5.481 0.061 8 0 "[ . 1 . 2]" 1
1488 1 61 MET HG3 1 76 ILE MG . . 4.900 4.101 3.223 4.789 . 0 0 "[ . 1 . 2]" 1
1489 1 61 MET HG3 1 78 LEU HB2 . . 5.290 4.466 3.837 5.055 . 0 0 "[ . 1 . 2]" 1
1490 1 61 MET HG3 1 78 LEU HG . . 4.620 3.407 2.384 4.584 . 0 0 "[ . 1 . 2]" 1
1491 1 61 MET HG3 1 78 LEU MD1 . . 5.490 2.223 2.062 2.552 . 0 0 "[ . 1 . 2]" 1
1492 1 61 MET HG3 1 78 LEU MD2 . . 5.490 3.874 2.255 4.952 . 0 0 "[ . 1 . 2]" 1
1493 1 61 MET HG3 1 78 LEU QD . . 5.940 2.194 2.020 2.543 . 0 0 "[ . 1 . 2]" 1
1494 1 61 MET QB 1 62 TRP H . . 4.290 2.556 2.388 2.741 . 0 0 "[ . 1 . 2]" 1
1495 1 61 MET QB 1 78 LEU HG . . 5.650 4.645 3.689 5.653 0.003 3 0 "[ . 1 . 2]" 1
1496 1 61 MET QB 1 78 LEU QD . . 6.490 2.462 2.249 3.049 . 0 0 "[ . 1 . 2]" 1
1497 1 61 MET ME 1 62 TRP H . . 5.510 4.250 3.593 4.764 . 0 0 "[ . 1 . 2]" 1
1498 1 61 MET ME 1 62 TRP HD1 . . 5.120 3.208 2.209 4.564 . 0 0 "[ . 1 . 2]" 1
1499 1 61 MET ME 1 62 TRP HE1 . . 5.030 3.564 2.601 5.083 0.053 15 0 "[ . 1 . 2]" 1
1500 1 61 MET ME 1 62 TRP QB . . 7.140 4.969 4.402 5.732 . 0 0 "[ . 1 . 2]" 1
1501 1 61 MET ME 1 65 ARG HD2 . . 5.970 3.690 2.876 4.840 . 0 0 "[ . 1 . 2]" 1
1502 1 61 MET ME 1 65 ARG HD3 . . 5.970 4.272 3.290 5.843 . 0 0 "[ . 1 . 2]" 1
1503 1 61 MET ME 1 65 ARG QD . . 6.100 3.465 2.744 4.619 . 0 0 "[ . 1 . 2]" 1
1504 1 61 MET ME 1 76 ILE MG . . 6.130 3.383 2.277 4.617 . 0 0 "[ . 1 . 2]" 1
1505 1 61 MET ME 1 77 PHE HA . . 5.430 5.237 4.321 5.513 0.083 14 0 "[ . 1 . 2]" 1
1506 1 61 MET ME 1 77 PHE QE . . 8.650 6.625 5.752 7.038 . 0 0 "[ . 1 . 2]" 1
1507 1 61 MET ME 1 78 LEU H . . 5.800 5.647 4.517 5.863 0.063 16 0 "[ . 1 . 2]" 1
1508 1 61 MET ME 1 78 LEU QD . . 7.530 4.054 3.590 4.413 . 0 0 "[ . 1 . 2]" 1
1509 1 61 MET ME 1 87 SER QB . . 6.160 4.198 3.046 5.280 . 0 0 "[ . 1 . 2]" 1
1510 1 62 TRP H 1 62 TRP HB2 . . 3.690 2.241 2.168 2.332 . 0 0 "[ . 1 . 2]" 1
1511 1 62 TRP H 1 62 TRP HB3 . . 3.690 3.514 3.447 3.584 . 0 0 "[ . 1 . 2]" 1
1512 1 62 TRP H 1 62 TRP HD1 . . 3.570 2.708 2.412 3.089 . 0 0 "[ . 1 . 2]" 1
1513 1 62 TRP H 1 62 TRP QB . . 3.900 2.217 2.146 2.303 . 0 0 "[ . 1 . 2]" 1
1514 1 62 TRP H 1 63 ILE H . . 3.260 2.776 2.617 2.850 . 0 0 "[ . 1 . 2]" 1
1515 1 62 TRP H 1 64 ILE H . . 4.570 4.332 4.124 4.473 . 0 0 "[ . 1 . 2]" 1
1516 1 62 TRP H 1 65 ARG HG2 . . 4.570 4.504 4.380 4.637 0.067 20 0 "[ . 1 . 2]" 1
1517 1 62 TRP H 1 78 LEU QD . . 7.120 5.082 4.876 5.677 . 0 0 "[ . 1 . 2]" 1
1518 1 62 TRP HA 1 62 TRP HD1 . . 3.670 3.320 2.933 3.731 0.061 8 0 "[ . 1 . 2]" 1
1519 1 62 TRP HA 1 62 TRP HE1 . . 5.500 4.895 4.511 5.209 . 0 0 "[ . 1 . 2]" 1
1520 1 62 TRP HA 1 62 TRP HE3 . . 4.390 4.030 3.374 4.436 0.046 1 0 "[ . 1 . 2]" 1
1521 1 62 TRP HA 1 65 ARG H . . 3.930 3.643 3.482 3.783 . 0 0 "[ . 1 . 2]" 1
1522 1 62 TRP HA 1 65 ARG HB2 . . 5.080 4.978 4.856 5.063 . 0 0 "[ . 1 . 2]" 1
1523 1 62 TRP HA 1 65 ARG HB3 . . 4.350 4.354 4.130 4.413 0.063 6 0 "[ . 1 . 2]" 1
1524 1 62 TRP HA 1 65 ARG HE . . 4.970 4.844 4.640 5.021 0.051 6 0 "[ . 1 . 2]" 1
1525 1 62 TRP HA 1 65 ARG HG2 . . 4.480 2.144 2.048 2.457 . 0 0 "[ . 1 . 2]" 1
1526 1 62 TRP HA 1 65 ARG HG3 . . 4.490 3.068 2.246 3.388 . 0 0 "[ . 1 . 2]" 1
1527 1 62 TRP HA 1 65 ARG QD . . 5.210 2.419 2.046 2.753 . 0 0 "[ . 1 . 2]" 1
1528 1 62 TRP HA 1 66 LYS H . . 4.190 4.099 3.864 4.253 0.063 15 0 "[ . 1 . 2]" 1
1529 1 62 TRP HB2 1 63 ILE H . . 3.760 2.954 2.695 3.151 . 0 0 "[ . 1 . 2]" 1
1530 1 62 TRP HB3 1 63 ILE H . . 3.760 3.379 3.168 3.627 . 0 0 "[ . 1 . 2]" 1
1531 1 62 TRP HD1 1 63 ILE H . . 5.200 5.116 4.985 5.255 0.055 7 0 "[ . 1 . 2]" 1
1532 1 62 TRP QB 1 63 ILE MD . . 7.240 4.428 4.210 4.648 . 0 0 "[ . 1 . 2]" 1
1533 1 63 ILE H 1 63 ILE HB . . 3.110 2.563 2.367 2.790 . 0 0 "[ . 1 . 2]" 1
1534 1 63 ILE H 1 63 ILE HG12 . . 4.060 3.673 3.532 3.772 . 0 0 "[ . 1 . 2]" 1
1535 1 63 ILE H 1 63 ILE HG13 . . 4.060 2.246 2.052 2.337 . 0 0 "[ . 1 . 2]" 1
1536 1 63 ILE H 1 63 ILE MD . . 4.540 3.242 3.101 3.332 . 0 0 "[ . 1 . 2]" 1
1537 1 63 ILE H 1 63 ILE QG . . 4.380 2.227 2.039 2.316 . 0 0 "[ . 1 . 2]" 1
1538 1 63 ILE H 1 65 ARG H . . 4.490 4.501 4.403 4.546 0.056 16 0 "[ . 1 . 2]" 1
1539 1 63 ILE H 1 66 LYS QG . . 6.220 5.014 4.324 5.783 . 0 0 "[ . 1 . 2]" 1
1540 1 63 ILE HA 1 63 ILE HG12 . . 3.660 2.799 2.675 3.035 . 0 0 "[ . 1 . 2]" 1
1541 1 63 ILE HA 1 63 ILE HG13 . . 3.660 2.815 2.721 2.927 . 0 0 "[ . 1 . 2]" 1
1542 1 63 ILE HA 1 65 ARG H . . 4.850 4.737 4.660 4.876 0.026 13 0 "[ . 1 . 2]" 1
1543 1 63 ILE HA 1 66 LYS H . . 4.130 3.429 3.279 3.637 . 0 0 "[ . 1 . 2]" 1
1544 1 63 ILE HA 1 66 LYS QB . . 4.780 2.560 2.235 2.987 . 0 0 "[ . 1 . 2]" 1
1545 1 63 ILE HA 1 66 LYS QE . . 5.240 3.639 2.154 5.301 0.061 14 0 "[ . 1 . 2]" 1
1546 1 63 ILE HB 2 17 VAL QG . . 6.260 3.169 2.407 4.008 . 0 0 "[ . 1 . 2]" 1
1547 1 63 ILE HB 1 64 ILE H . . 3.550 2.735 2.512 2.891 . 0 0 "[ . 1 . 2]" 1
1548 1 63 ILE MD 2 17 VAL HA . . 5.160 4.645 3.795 5.218 0.058 15 0 "[ . 1 . 2]" 1
1549 1 63 ILE MD 2 17 VAL HB . . 4.970 4.593 4.089 5.014 0.044 13 0 "[ . 1 . 2]" 1
1550 1 63 ILE MD 2 17 VAL QG . . 6.480 2.578 1.932 3.182 . 0 0 "[ . 1 . 2]" 1
1551 1 63 ILE MD 2 18 SER H . . 5.420 3.585 2.852 4.440 . 0 0 "[ . 1 . 2]" 1
1552 1 63 ILE MD 2 18 SER QB . . 6.880 4.081 3.553 4.808 . 0 0 "[ . 1 . 2]" 1
1553 1 63 ILE MD 2 19 GLU H . . 4.360 2.570 2.014 3.201 . 0 0 "[ . 1 . 2]" 1
1554 1 63 ILE MD 2 19 GLU HA . . 4.420 3.278 2.105 4.196 . 0 0 "[ . 1 . 2]" 1
1555 1 63 ILE MD 2 19 GLU QB . . 6.260 2.926 2.034 4.366 . 0 0 "[ . 1 . 2]" 1
1556 1 63 ILE QG 2 19 GLU H . . 6.090 4.171 3.460 4.633 . 0 0 "[ . 1 . 2]" 1
1557 1 63 ILE QG 2 19 GLU HA . . 5.550 3.924 2.435 4.984 . 0 0 "[ . 1 . 2]" 1
1558 1 63 ILE QG 1 64 ILE H . . 5.080 4.255 4.134 4.347 . 0 0 "[ . 1 . 2]" 1
1559 1 63 ILE QG 1 66 LYS QB . . 6.690 4.366 4.087 4.744 . 0 0 "[ . 1 . 2]" 1
1560 1 63 ILE MG 2 17 VAL HB . . 4.640 4.167 3.364 4.479 . 0 0 "[ . 1 . 2]" 1
1561 1 63 ILE MG 2 17 VAL QG . . 5.530 1.910 1.852 2.001 . 0 0 "[ . 1 . 2]" 1
1562 1 63 ILE MG 2 18 SER H . . 5.420 3.767 3.326 4.598 . 0 0 "[ . 1 . 2]" 1
1563 1 63 ILE MG 2 19 GLU HA . . 6.520 5.139 3.951 5.777 . 0 0 "[ . 1 . 2]" 1
1564 1 63 ILE MG 1 64 ILE H . . 4.640 3.534 3.230 3.719 . 0 0 "[ . 1 . 2]" 1
1565 1 63 ILE MG 1 64 ILE HA . . 5.300 3.620 3.419 3.815 . 0 0 "[ . 1 . 2]" 1
1566 1 63 ILE MG 1 64 ILE HG13 . . 5.370 4.118 3.630 4.802 . 0 0 "[ . 1 . 2]" 1
1567 1 63 ILE MG 1 64 ILE MD . . 7.540 5.185 4.794 5.582 . 0 0 "[ . 1 . 2]" 1
1568 1 63 ILE MG 1 64 ILE MG . . 7.530 5.190 4.898 5.461 . 0 0 "[ . 1 . 2]" 1
1569 1 63 ILE MG 1 66 LYS H . . 5.910 4.629 4.419 4.847 . 0 0 "[ . 1 . 2]" 1
1570 1 63 ILE MG 1 66 LYS QB . . 6.240 3.545 3.129 4.027 . 0 0 "[ . 1 . 2]" 1
1571 1 63 ILE MG 1 67 ARG H . . 5.640 3.758 3.477 3.919 . 0 0 "[ . 1 . 2]" 1
1572 1 63 ILE MG 1 67 ARG HA . . 6.370 4.723 4.412 4.927 . 0 0 "[ . 1 . 2]" 1
1573 1 63 ILE MG 1 67 ARG HE . . 6.020 4.580 2.744 6.026 0.006 11 0 "[ . 1 . 2]" 1
1574 1 63 ILE MG 1 67 ARG HG2 . . 6.520 3.009 2.156 5.356 . 0 0 "[ . 1 . 2]" 1
1575 1 63 ILE MG 1 67 ARG HG3 . . 6.520 3.180 2.280 5.495 . 0 0 "[ . 1 . 2]" 1
1576 1 63 ILE MG 1 67 ARG QD . . 6.830 3.417 1.985 4.440 . 0 0 "[ . 1 . 2]" 1
1577 1 64 ILE H 2 17 VAL QG . . 7.080 4.658 3.921 5.145 . 0 0 "[ . 1 . 2]" 1
1578 1 64 ILE H 1 64 ILE HB . . 3.200 2.481 2.284 2.948 . 0 0 "[ . 1 . 2]" 1
1579 1 64 ILE H 1 64 ILE HG12 . . 3.820 3.649 3.092 3.829 0.009 7 0 "[ . 1 . 2]" 1
1580 1 64 ILE H 1 64 ILE HG13 . . 3.320 2.287 1.955 2.518 . 0 0 "[ . 1 . 2]" 1
1581 1 64 ILE H 1 64 ILE MD . . 4.420 3.408 3.097 3.773 . 0 0 "[ . 1 . 2]" 1
1582 1 64 ILE H 1 65 ARG H . . 3.370 2.967 2.879 3.041 . 0 0 "[ . 1 . 2]" 1
1583 1 64 ILE HA 2 17 VAL QG . . 6.960 4.439 3.901 4.790 . 0 0 "[ . 1 . 2]" 1
1584 1 64 ILE HA 1 64 ILE HG12 . . 4.110 2.684 2.331 2.935 . 0 0 "[ . 1 . 2]" 1
1585 1 64 ILE HA 1 64 ILE HG13 . . 4.000 2.827 2.619 3.356 . 0 0 "[ . 1 . 2]" 1
1586 1 64 ILE HA 1 67 ARG H . . 3.720 3.522 3.281 3.697 . 0 0 "[ . 1 . 2]" 1
1587 1 64 ILE HA 1 67 ARG HB2 . . 4.440 2.724 2.318 3.670 . 0 0 "[ . 1 . 2]" 1
1588 1 64 ILE HA 1 67 ARG HB3 . . 4.440 3.795 2.639 4.446 0.006 16 0 "[ . 1 . 2]" 1
1589 1 64 ILE HA 1 67 ARG QB . . 4.660 2.559 2.300 2.837 . 0 0 "[ . 1 . 2]" 1
1590 1 64 ILE HA 1 68 ILE H . . 4.470 4.003 3.874 4.247 . 0 0 "[ . 1 . 2]" 1
1591 1 64 ILE HB 1 65 ARG H . . 3.370 2.551 2.397 2.761 . 0 0 "[ . 1 . 2]" 1
1592 1 64 ILE HB 1 65 ARG HB3 . . 4.880 4.406 4.148 4.739 . 0 0 "[ . 1 . 2]" 1
1593 1 64 ILE HB 1 76 ILE MD . . 5.400 4.414 3.591 4.967 . 0 0 "[ . 1 . 2]" 1
1594 1 64 ILE HG12 1 65 ARG H . . 5.290 5.106 4.888 5.195 . 0 0 "[ . 1 . 2]" 1
1595 1 64 ILE HG13 1 78 LEU QD . . 6.610 4.072 3.773 4.314 . 0 0 "[ . 1 . 2]" 1
1596 1 64 ILE MD 1 107 VAL QG . . 7.080 3.202 2.850 3.799 . 0 0 "[ . 1 . 2]" 1
1597 1 64 ILE MD 1 76 ILE MG . . 7.540 5.932 5.545 6.430 . 0 0 "[ . 1 . 2]" 1
1598 1 64 ILE MD 1 78 LEU HG . . 5.540 3.961 3.277 4.216 . 0 0 "[ . 1 . 2]" 1
1599 1 64 ILE MD 1 78 LEU MD1 . . 5.910 2.392 2.019 3.741 . 0 0 "[ . 1 . 2]" 1
1600 1 64 ILE MD 1 78 LEU MD2 . . 5.910 2.223 2.025 2.432 . 0 0 "[ . 1 . 2]" 1
1601 1 64 ILE MD 1 78 LEU QD . . 6.450 2.001 1.852 2.197 . 0 0 "[ . 1 . 2]" 1
1602 1 64 ILE MG 1 109 TYR QD . . 7.140 3.887 3.543 4.415 . 0 0 "[ . 1 . 2]" 1
1603 1 64 ILE MG 1 109 TYR QE . . 7.810 4.257 3.789 4.684 . 0 0 "[ . 1 . 2]" 1
1604 1 64 ILE MG 1 65 ARG H . . 4.710 3.160 2.885 3.738 . 0 0 "[ . 1 . 2]" 1
1605 1 64 ILE MG 1 65 ARG HA . . 5.410 3.264 3.047 3.818 . 0 0 "[ . 1 . 2]" 1
1606 1 64 ILE MG 1 65 ARG HB3 . . 5.970 4.011 3.625 4.876 . 0 0 "[ . 1 . 2]" 1
1607 1 64 ILE MG 1 66 LYS H . . 5.950 4.962 4.788 5.251 . 0 0 "[ . 1 . 2]" 1
1608 1 64 ILE MG 1 67 ARG H . . 5.760 4.826 4.613 5.033 . 0 0 "[ . 1 . 2]" 1
1609 1 64 ILE MG 1 67 ARG QB . . 6.770 3.873 3.308 4.225 . 0 0 "[ . 1 . 2]" 1
1610 1 64 ILE MG 1 68 ILE H . . 5.320 4.050 3.768 4.278 . 0 0 "[ . 1 . 2]" 1
1611 1 64 ILE MG 1 68 ILE HG12 . . 5.010 3.585 3.410 3.797 . 0 0 "[ . 1 . 2]" 1
1612 1 64 ILE MG 1 68 ILE MD . . 5.600 2.661 2.281 3.232 . 0 0 "[ . 1 . 2]" 1
1613 1 64 ILE MG 1 68 ILE MG . . 5.730 2.736 2.322 2.960 . 0 0 "[ . 1 . 2]" 1
1614 1 64 ILE MG 1 76 ILE MD . . 5.590 2.794 2.102 3.845 . 0 0 "[ . 1 . 2]" 1
1615 1 64 ILE MG 1 76 ILE MG . . 7.540 4.802 4.203 5.780 . 0 0 "[ . 1 . 2]" 1
1616 1 64 ILE MG 1 78 LEU QD . . 7.020 2.605 2.222 3.539 . 0 0 "[ . 1 . 2]" 1
1617 1 65 ARG H 1 65 ARG HB3 . . 3.150 2.604 2.519 2.717 . 0 0 "[ . 1 . 2]" 1
1618 1 65 ARG H 1 65 ARG HD2 . . 4.750 4.118 3.788 4.535 . 0 0 "[ . 1 . 2]" 1
1619 1 65 ARG H 1 65 ARG HD3 . . 4.750 4.495 4.180 4.674 . 0 0 "[ . 1 . 2]" 1
1620 1 65 ARG H 1 65 ARG HE . . 5.360 5.152 4.947 5.272 . 0 0 "[ . 1 . 2]" 1
1621 1 65 ARG H 1 65 ARG HG2 . . 3.400 2.271 2.060 3.126 . 0 0 "[ . 1 . 2]" 1
1622 1 65 ARG H 1 65 ARG HG3 . . 3.740 3.244 2.089 3.573 . 0 0 "[ . 1 . 2]" 1
1623 1 65 ARG H 1 65 ARG QD . . 4.930 3.800 3.579 3.960 . 0 0 "[ . 1 . 2]" 1
1624 1 65 ARG H 1 66 LYS H . . 3.230 2.844 2.721 2.954 . 0 0 "[ . 1 . 2]" 1
1625 1 65 ARG H 1 68 ILE H . . 5.030 5.004 4.946 5.060 0.030 9 0 "[ . 1 . 2]" 1
1626 1 65 ARG H 1 68 ILE MG . . 6.020 5.157 4.954 5.358 . 0 0 "[ . 1 . 2]" 1
1627 1 65 ARG H 1 76 ILE HG12 . . 4.720 4.416 4.085 4.783 0.063 3 0 "[ . 1 . 2]" 1
1628 1 65 ARG H 1 76 ILE MD . . 4.750 4.487 3.551 4.837 0.087 11 0 "[ . 1 . 2]" 1
1629 1 65 ARG HA 1 65 ARG HE . . 4.620 4.583 4.222 4.681 0.061 17 0 "[ . 1 . 2]" 1
1630 1 65 ARG HA 1 67 ARG H . . 4.520 4.470 4.212 4.577 0.057 20 0 "[ . 1 . 2]" 1
1631 1 65 ARG HA 1 68 ILE H . . 4.340 3.605 3.435 3.703 . 0 0 "[ . 1 . 2]" 1
1632 1 65 ARG HA 1 68 ILE HG12 . . 3.770 2.234 2.109 2.392 . 0 0 "[ . 1 . 2]" 1
1633 1 65 ARG HA 1 68 ILE HG13 . . 3.720 3.468 3.314 3.662 . 0 0 "[ . 1 . 2]" 1
1634 1 65 ARG HA 1 68 ILE MD . . 5.000 2.861 2.576 3.191 . 0 0 "[ . 1 . 2]" 1
1635 1 65 ARG HA 1 68 ILE MG . . 5.240 3.984 3.617 4.190 . 0 0 "[ . 1 . 2]" 1
1636 1 65 ARG HA 1 69 GLN H . . 4.510 4.544 4.427 4.572 0.062 3 0 "[ . 1 . 2]" 1
1637 1 65 ARG HA 1 70 LEU H . . 4.080 3.607 3.421 3.811 . 0 0 "[ . 1 . 2]" 1
1638 1 65 ARG HA 1 70 LEU HB2 . . 3.630 2.881 2.591 3.146 . 0 0 "[ . 1 . 2]" 1
1639 1 65 ARG HA 1 70 LEU HG . . 4.740 4.184 3.889 4.370 . 0 0 "[ . 1 . 2]" 1
1640 1 65 ARG HA 1 76 ILE MD . . 5.300 3.318 2.340 3.813 . 0 0 "[ . 1 . 2]" 1
1641 1 65 ARG HB2 1 65 ARG HE . . 3.190 2.234 1.987 2.413 . 0 0 "[ . 1 . 2]" 1
1642 1 65 ARG HB2 1 66 LYS H . . 4.730 3.981 3.798 4.086 . 0 0 "[ . 1 . 2]" 1
1643 1 65 ARG HB2 1 70 LEU H . . 4.090 3.757 3.584 3.977 . 0 0 "[ . 1 . 2]" 1
1644 1 65 ARG HB2 1 70 LEU HB2 . . 4.310 2.969 2.509 3.348 . 0 0 "[ . 1 . 2]" 1
1645 1 65 ARG HB2 1 70 LEU HB3 . . 5.090 2.282 2.145 2.688 . 0 0 "[ . 1 . 2]" 1
1646 1 65 ARG HB2 1 76 ILE HB . . 4.340 4.181 3.898 4.390 0.050 7 0 "[ . 1 . 2]" 1
1647 1 65 ARG HB2 1 76 ILE MG . . 6.070 2.916 2.375 3.358 . 0 0 "[ . 1 . 2]" 1
1648 1 65 ARG HB3 1 66 LYS H . . 4.410 4.174 4.057 4.274 . 0 0 "[ . 1 . 2]" 1
1649 1 65 ARG HB3 1 76 ILE HG13 . . 5.280 4.490 3.998 4.980 . 0 0 "[ . 1 . 2]" 1
1650 1 65 ARG HB3 1 76 ILE MD . . 4.880 3.372 2.184 3.838 . 0 0 "[ . 1 . 2]" 1
1651 1 65 ARG HB3 1 76 ILE MG . . 6.250 2.324 2.101 2.516 . 0 0 "[ . 1 . 2]" 1
1652 1 65 ARG HE 1 66 LYS H . . 4.920 4.875 4.419 4.981 0.061 6 0 "[ . 1 . 2]" 1
1653 1 65 ARG HE 1 66 LYS QG . . 6.050 4.402 3.819 4.735 . 0 0 "[ . 1 . 2]" 1
1654 1 65 ARG HE 1 76 ILE HB . . 5.500 5.445 4.969 5.564 0.064 15 0 "[ . 1 . 2]" 1
1655 1 65 ARG HE 1 76 ILE MG . . 4.860 3.574 3.176 4.049 . 0 0 "[ . 1 . 2]" 1
1656 1 65 ARG HE 1 65 ARG HG2 . . 3.750 3.500 2.950 3.666 . 0 0 "[ . 1 . 2]" 1
1657 1 65 ARG HG2 1 76 ILE MG . . 5.500 3.946 3.098 4.436 . 0 0 "[ . 1 . 2]" 1
1658 1 65 ARG HE 1 65 ARG HG3 . . 3.750 2.587 2.363 3.644 . 0 0 "[ . 1 . 2]" 1
1659 1 65 ARG HG3 1 66 LYS H . . 4.090 2.573 2.264 2.808 . 0 0 "[ . 1 . 2]" 1
1660 1 65 ARG HG3 1 66 LYS HA . . 4.290 3.858 3.667 4.359 0.069 5 0 "[ . 1 . 2]" 1
1661 1 65 ARG HG3 1 66 LYS HG2 . . 4.390 3.451 2.438 4.110 . 0 0 "[ . 1 . 2]" 1
1662 1 65 ARG HG3 1 66 LYS HG3 . . 4.390 3.367 2.624 4.445 0.055 14 0 "[ . 1 . 2]" 1
1663 1 65 ARG HG3 1 66 LYS QG . . 4.710 2.781 2.417 3.453 . 0 0 "[ . 1 . 2]" 1
1664 1 65 ARG HG3 1 76 ILE MD . . 6.150 5.798 4.596 6.229 0.079 6 0 "[ . 1 . 2]" 1
1665 1 65 ARG HG3 1 76 ILE MG . . 5.780 4.434 4.142 4.797 . 0 0 "[ . 1 . 2]" 1
1666 1 65 ARG QD 1 66 LYS H . . 5.760 4.247 2.700 4.683 . 0 0 "[ . 1 . 2]" 1
1667 1 65 ARG QD 1 76 ILE MG . . 6.090 2.764 2.169 4.671 . 0 0 "[ . 1 . 2]" 1
1668 1 66 LYS H 1 66 LYS HG2 . . 3.840 3.257 2.441 3.854 0.014 19 0 "[ . 1 . 2]" 1
1669 1 66 LYS H 1 66 LYS HG3 . . 3.840 2.927 2.518 3.666 . 0 0 "[ . 1 . 2]" 1
1670 1 66 LYS H 1 66 LYS QB . . 3.620 2.357 2.245 2.471 . 0 0 "[ . 1 . 2]" 1
1671 1 66 LYS H 1 66 LYS QG . . 4.120 2.576 2.358 2.767 . 0 0 "[ . 1 . 2]" 1
1672 1 66 LYS H 1 67 ARG H . . 3.210 2.653 2.572 2.788 . 0 0 "[ . 1 . 2]" 1
1673 1 66 LYS H 1 68 ILE H . . 4.330 4.356 4.191 4.389 0.059 12 0 "[ . 1 . 2]" 1
1674 1 66 LYS H 1 70 LEU H . . 5.360 5.003 4.900 5.092 . 0 0 "[ . 1 . 2]" 1
1675 1 66 LYS HA 1 66 LYS HG2 . . 4.050 2.462 2.184 2.742 . 0 0 "[ . 1 . 2]" 1
1676 1 66 LYS HA 1 66 LYS HG3 . . 4.050 3.320 2.786 3.803 . 0 0 "[ . 1 . 2]" 1
1677 1 66 LYS HA 1 67 ARG HA . . 4.880 4.854 4.748 4.922 0.042 20 0 "[ . 1 . 2]" 1
1678 1 66 LYS HA 1 69 GLN H . . 3.910 3.470 3.186 3.750 . 0 0 "[ . 1 . 2]" 1
1679 1 66 LYS HA 1 69 GLN HA . . 4.200 3.281 2.920 3.593 . 0 0 "[ . 1 . 2]" 1
1680 1 66 LYS HA 1 69 GLN QG . . 5.720 4.387 3.909 5.518 . 0 0 "[ . 1 . 2]" 1
1681 1 66 LYS HA 1 70 LEU H . . 4.280 3.726 3.373 4.030 . 0 0 "[ . 1 . 2]" 1
1682 1 66 LYS HG2 1 67 ARG H . . 5.070 4.900 4.533 5.126 0.056 1 0 "[ . 1 . 2]" 1
1683 1 66 LYS HG3 1 67 ARG H . . 5.070 4.696 4.530 4.975 . 0 0 "[ . 1 . 2]" 1
1684 1 66 LYS QB 1 67 ARG H . . 4.020 2.648 2.394 2.914 . 0 0 "[ . 1 . 2]" 1
1685 1 66 LYS QB 1 69 GLN H . . 5.920 4.624 4.480 4.729 . 0 0 "[ . 1 . 2]" 1
1686 1 67 ARG H 1 67 ARG HB2 . . 3.430 2.247 2.120 2.414 . 0 0 "[ . 1 . 2]" 1
1687 1 67 ARG H 1 67 ARG HB3 . . 3.430 3.312 2.556 3.494 0.064 20 0 "[ . 1 . 2]" 1
1688 1 67 ARG H 1 67 ARG HG2 . . 4.850 3.180 2.286 4.604 . 0 0 "[ . 1 . 2]" 1
1689 1 67 ARG H 1 67 ARG HG3 . . 4.850 3.826 3.143 4.549 . 0 0 "[ . 1 . 2]" 1
1690 1 67 ARG H 1 67 ARG QB . . 3.830 2.197 2.099 2.293 . 0 0 "[ . 1 . 2]" 1
1691 1 67 ARG H 1 67 ARG QG . . 4.970 2.987 2.256 4.070 . 0 0 "[ . 1 . 2]" 1
1692 1 67 ARG H 1 68 ILE H . . 3.310 2.830 2.743 2.993 . 0 0 "[ . 1 . 2]" 1
1693 1 67 ARG H 1 68 ILE HG12 . . 4.430 4.477 4.370 4.494 0.064 3 0 "[ . 1 . 2]" 1
1694 1 67 ARG H 1 68 ILE MG . . 5.290 4.339 4.226 4.498 . 0 0 "[ . 1 . 2]" 1
1695 1 67 ARG H 1 69 GLN H . . 4.310 3.836 3.720 3.988 . 0 0 "[ . 1 . 2]" 1
1696 1 67 ARG H 1 70 LEU H . . 5.500 5.464 5.230 5.565 0.065 5 0 "[ . 1 . 2]" 1
1697 1 67 ARG HA 1 67 ARG HE . . 4.930 3.703 2.496 4.799 . 0 0 "[ . 1 . 2]" 1
1698 1 67 ARG HA 1 68 ILE HA . . 4.740 4.636 4.555 4.683 . 0 0 "[ . 1 . 2]" 1
1699 1 67 ARG HA 1 69 GLN H . . 4.470 3.804 3.643 3.959 . 0 0 "[ . 1 . 2]" 1
1700 1 67 ARG HA 1 69 GLN QG . . 5.380 4.026 3.664 4.805 . 0 0 "[ . 1 . 2]" 1
1701 1 67 ARG HB2 1 68 ILE H . . 4.150 2.909 2.416 3.937 . 0 0 "[ . 1 . 2]" 1
1702 1 67 ARG HB2 1 68 ILE MG . . 5.590 3.494 3.006 4.671 . 0 0 "[ . 1 . 2]" 1
1703 1 67 ARG HB2 1 69 GLN H . . 5.500 4.844 4.564 5.306 . 0 0 "[ . 1 . 2]" 1
1704 1 67 ARG HB3 1 68 ILE H . . 4.150 3.094 2.435 3.489 . 0 0 "[ . 1 . 2]" 1
1705 1 67 ARG HB3 1 68 ILE MG . . 5.590 3.240 2.782 3.728 . 0 0 "[ . 1 . 2]" 1
1706 1 67 ARG HB3 1 69 GLN H . . 5.500 4.888 4.613 5.145 . 0 0 "[ . 1 . 2]" 1
1707 1 67 ARG HG2 1 68 ILE H . . 5.500 4.714 4.089 5.069 . 0 0 "[ . 1 . 2]" 1
1708 1 67 ARG HG3 1 68 ILE H . . 5.500 4.785 3.887 5.406 . 0 0 "[ . 1 . 2]" 1
1709 1 67 ARG QB 2 17 VAL QG . . 8.260 4.065 3.700 4.530 . 0 0 "[ . 1 . 2]" 1
1710 1 67 ARG QB 1 68 ILE H . . 4.340 2.542 2.359 2.951 . 0 0 "[ . 1 . 2]" 1
1711 1 67 ARG QB 1 68 ILE HG12 . . 6.220 4.346 4.206 4.622 . 0 0 "[ . 1 . 2]" 1
1712 1 67 ARG QB 1 68 ILE MG . . 5.750 2.903 2.669 3.149 . 0 0 "[ . 1 . 2]" 1
1713 1 68 ILE H 1 68 ILE HB . . 3.900 3.654 3.598 3.742 . 0 0 "[ . 1 . 2]" 1
1714 1 68 ILE H 1 68 ILE HG12 . . 3.460 2.256 2.123 2.353 . 0 0 "[ . 1 . 2]" 1
1715 1 68 ILE H 1 68 ILE HG13 . . 3.660 3.492 3.327 3.627 . 0 0 "[ . 1 . 2]" 1
1716 1 68 ILE H 1 68 ILE MD . . 4.940 3.690 3.447 3.848 . 0 0 "[ . 1 . 2]" 1
1717 1 68 ILE H 1 68 ILE MG . . 4.360 2.264 2.197 2.575 . 0 0 "[ . 1 . 2]" 1
1718 1 68 ILE H 1 69 GLN H . . 2.980 2.612 2.376 2.725 . 0 0 "[ . 1 . 2]" 1
1719 1 68 ILE H 1 70 LEU H . . 4.920 4.301 3.938 4.492 . 0 0 "[ . 1 . 2]" 1
1720 1 68 ILE HA 1 69 GLN QG . . 5.220 4.008 3.352 4.796 . 0 0 "[ . 1 . 2]" 1
1721 1 68 ILE HB 1 69 GLN QG . . 6.100 5.636 5.044 6.174 0.074 7 0 "[ . 1 . 2]" 1
1722 1 68 ILE HG12 1 69 GLN H . . 4.000 3.420 3.172 3.657 . 0 0 "[ . 1 . 2]" 1
1723 1 68 ILE HG12 1 70 LEU H . . 4.560 3.386 3.100 3.707 . 0 0 "[ . 1 . 2]" 1
1724 1 68 ILE HG12 1 70 LEU HB2 . . 4.390 3.126 2.807 3.411 . 0 0 "[ . 1 . 2]" 1
1725 1 68 ILE HG13 1 69 GLN H . . 3.970 3.651 3.344 3.991 0.021 20 0 "[ . 1 . 2]" 1
1726 1 68 ILE HG13 1 70 LEU H . . 3.760 3.052 2.689 3.430 . 0 0 "[ . 1 . 2]" 1
1727 1 68 ILE HG13 1 70 LEU HB2 . . 3.290 2.660 2.362 3.122 . 0 0 "[ . 1 . 2]" 1
1728 1 68 ILE HG13 1 70 LEU HB3 . . 4.950 4.129 3.702 4.771 . 0 0 "[ . 1 . 2]" 1
1729 1 68 ILE MD 1 109 TYR QD . . 7.320 3.440 3.066 3.878 . 0 0 "[ . 1 . 2]" 1
1730 1 68 ILE MD 1 109 TYR QE . . 6.740 2.568 2.266 3.028 . 0 0 "[ . 1 . 2]" 1
1731 1 68 ILE MD 1 70 LEU H . . 5.140 4.191 3.929 4.586 . 0 0 "[ . 1 . 2]" 1
1732 1 68 ILE MD 1 70 LEU HB2 . . 4.900 2.694 2.263 3.447 . 0 0 "[ . 1 . 2]" 1
1733 1 68 ILE MD 1 70 LEU HB3 . . 5.760 4.166 3.739 4.902 . 0 0 "[ . 1 . 2]" 1
1734 1 68 ILE MD 1 76 ILE MD . . 5.210 2.081 1.895 2.279 . 0 0 "[ . 1 . 2]" 1
1735 1 68 ILE MG 1 109 TYR QE . . 7.330 3.572 3.218 4.010 . 0 0 "[ . 1 . 2]" 1
1736 1 68 ILE MG 1 69 GLN H . . 5.250 4.203 4.158 4.261 . 0 0 "[ . 1 . 2]" 1
1737 1 69 GLN H 1 69 GLN HA . . 2.790 2.231 2.187 2.293 . 0 0 "[ . 1 . 2]" 1
1738 1 69 GLN H 1 69 GLN QG . . 4.000 2.692 2.497 2.989 . 0 0 "[ . 1 . 2]" 1
1739 1 69 GLN H 1 70 LEU H . . 3.250 2.890 2.697 3.054 . 0 0 "[ . 1 . 2]" 1
1740 1 69 GLN HA 1 70 LEU H . . 3.220 2.499 2.317 2.722 . 0 0 "[ . 1 . 2]" 1
1741 1 69 GLN HB2 1 70 LEU H . . 4.820 4.483 4.372 4.611 . 0 0 "[ . 1 . 2]" 1
1742 1 69 GLN HB3 1 70 LEU H . . 4.820 4.397 4.203 4.551 . 0 0 "[ . 1 . 2]" 1
1743 1 69 GLN QB 1 70 LEU H . . 4.980 3.952 3.897 4.016 . 0 0 "[ . 1 . 2]" 1
1744 1 69 GLN QG 1 70 LEU H . . 6.100 4.535 4.264 4.854 . 0 0 "[ . 1 . 2]" 1
1745 1 70 LEU H 1 70 LEU HB2 . . 3.130 2.478 2.197 2.674 . 0 0 "[ . 1 . 2]" 1
1746 1 70 LEU H 1 70 LEU HB3 . . 3.220 2.456 2.291 2.777 . 0 0 "[ . 1 . 2]" 1
1747 1 70 LEU H 1 70 LEU HG . . 4.660 4.572 4.472 4.660 0.000 18 0 "[ . 1 . 2]" 1
1748 1 70 LEU H 1 71 PRO HD2 . . 4.760 4.804 4.766 4.824 0.064 8 0 "[ . 1 . 2]" 1
1749 1 70 LEU H 1 71 PRO HD3 . . 4.650 4.666 4.598 4.706 0.056 5 0 "[ . 1 . 2]" 1
1750 1 70 LEU H 1 76 ILE MD . . 6.480 5.431 4.441 5.927 . 0 0 "[ . 1 . 2]" 1
1751 1 70 LEU HA 1 70 LEU HG . . 4.220 3.707 3.597 3.776 . 0 0 "[ . 1 . 2]" 1
1752 1 70 LEU HA 1 71 PRO HD2 . . 3.410 2.087 2.052 2.115 . 0 0 "[ . 1 . 2]" 1
1753 1 70 LEU HA 1 71 PRO HD3 . . 3.120 2.622 2.521 2.710 . 0 0 "[ . 1 . 2]" 1
1754 1 70 LEU HA 1 71 PRO QG . . 5.070 3.923 3.877 3.961 . 0 0 "[ . 1 . 2]" 1
1755 1 70 LEU HB2 1 71 PRO HD2 . . 4.450 4.285 4.167 4.465 0.015 19 0 "[ . 1 . 2]" 1
1756 1 70 LEU HB2 1 71 PRO HD3 . . 5.060 5.049 4.957 5.113 0.053 20 0 "[ . 1 . 2]" 1
1757 1 70 LEU HB2 1 76 ILE HB . . 4.630 3.914 3.724 4.152 . 0 0 "[ . 1 . 2]" 1
1758 1 70 LEU HB3 1 76 ILE HB . . 5.220 4.387 4.130 4.614 . 0 0 "[ . 1 . 2]" 1
1759 1 70 LEU HB3 1 76 ILE MG . . 4.970 3.942 3.285 4.404 . 0 0 "[ . 1 . 2]" 1
1760 1 70 LEU HG 1 74 LYS HB2 . . 4.670 4.577 4.361 4.726 0.056 9 0 "[ . 1 . 2]" 1
1761 1 70 LEU HG 1 75 ALA H . . 5.400 5.444 5.327 5.467 0.067 6 0 "[ . 1 . 2]" 1
1762 1 70 LEU HG 1 76 ILE H . . 4.550 4.611 4.585 4.621 0.071 19 0 "[ . 1 . 2]" 1
1763 1 70 LEU HG 1 76 ILE HA . . 4.440 4.218 3.819 4.478 0.038 6 0 "[ . 1 . 2]" 1
1764 1 70 LEU HG 1 76 ILE HB . . 3.530 2.118 1.994 2.298 . 0 0 "[ . 1 . 2]" 1
1765 1 70 LEU HG 1 76 ILE MD . . 5.500 3.104 2.399 3.719 . 0 0 "[ . 1 . 2]" 1
1766 1 70 LEU HG 1 76 ILE MG . . 5.060 2.820 2.190 3.491 . 0 0 "[ . 1 . 2]" 1
1767 1 71 PRO HA 1 72 SER H . . 3.270 2.395 2.346 2.456 . 0 0 "[ . 1 . 2]" 1
1768 1 71 PRO HA 1 73 GLU H . . 4.460 4.123 3.970 4.304 . 0 0 "[ . 1 . 2]" 1
1769 1 71 PRO HB2 1 73 GLU H . . 3.820 2.360 2.215 2.553 . 0 0 "[ . 1 . 2]" 1
1770 1 71 PRO HB2 1 73 GLU HA . . 4.990 5.022 4.950 5.056 0.066 15 0 "[ . 1 . 2]" 1
1771 1 71 PRO HB2 1 73 GLU HB2 . . 4.830 4.859 4.698 4.902 0.072 8 0 "[ . 1 . 2]" 1
1772 1 71 PRO HB2 1 73 GLU HB3 . . 4.320 4.026 3.626 4.383 0.063 18 0 "[ . 1 . 2]" 1
1773 1 71 PRO HB2 1 73 GLU QG . . 4.220 2.163 1.970 2.499 . 0 0 "[ . 1 . 2]" 1
1774 1 71 PRO HB2 1 74 LYS H . . 4.360 3.575 3.359 3.783 . 0 0 "[ . 1 . 2]" 1
1775 1 71 PRO HB3 1 72 SER H . . 4.110 3.697 3.412 3.985 . 0 0 "[ . 1 . 2]" 1
1776 1 71 PRO HB3 1 73 GLU H . . 4.400 4.109 3.975 4.280 . 0 0 "[ . 1 . 2]" 1
1777 1 71 PRO HB3 1 73 GLU QG . . 4.760 3.553 3.358 3.797 . 0 0 "[ . 1 . 2]" 1
1778 1 71 PRO HB3 1 74 LYS H . . 4.950 4.956 4.839 5.013 0.063 3 0 "[ . 1 . 2]" 1
1779 1 71 PRO HD2 1 74 LYS HG2 . . 4.590 3.808 3.100 4.626 0.036 5 0 "[ . 1 . 2]" 1
1780 1 71 PRO HD2 1 74 LYS HG3 . . 4.590 3.995 3.354 4.648 0.058 8 0 "[ . 1 . 2]" 1
1781 1 71 PRO HD2 1 74 LYS QG . . 4.900 3.456 2.898 4.126 . 0 0 "[ . 1 . 2]" 1
1782 1 71 PRO HD3 1 74 LYS HB2 . . 5.460 4.840 4.588 5.117 . 0 0 "[ . 1 . 2]" 1
1783 1 71 PRO QG 1 72 SER H . . 5.320 4.301 4.134 4.465 . 0 0 "[ . 1 . 2]" 1
1784 1 71 PRO QG 1 73 GLU QG . . 4.300 2.116 1.978 2.351 . 0 0 "[ . 1 . 2]" 1
1785 1 71 PRO QG 1 74 LYS H . . 4.030 2.478 2.255 2.720 . 0 0 "[ . 1 . 2]" 1
1786 1 71 PRO QG 1 74 LYS HB2 . . 5.430 3.017 2.704 3.422 . 0 0 "[ . 1 . 2]" 1
1787 1 71 PRO QG 1 74 LYS HD2 . . 6.390 4.546 4.111 5.177 . 0 0 "[ . 1 . 2]" 1
1788 1 71 PRO QG 1 74 LYS HD3 . . 6.390 4.309 3.804 5.034 . 0 0 "[ . 1 . 2]" 1
1789 1 71 PRO QG 1 74 LYS QE . . 6.590 5.000 4.471 5.513 . 0 0 "[ . 1 . 2]" 1
1790 1 71 PRO QG 1 74 LYS QG . . 5.420 2.322 1.986 2.892 . 0 0 "[ . 1 . 2]" 1
1791 1 72 SER H 1 73 GLU H . . 4.080 2.767 2.547 2.954 . 0 0 "[ . 1 . 2]" 1
1792 1 72 SER HA 1 73 GLU HA . . 5.070 4.799 4.703 4.849 . 0 0 "[ . 1 . 2]" 1
1793 1 72 SER HA 1 74 LYS H . . 4.680 4.118 3.674 4.744 0.064 14 0 "[ . 1 . 2]" 1
1794 1 72 SER QB 1 73 GLU H . . 5.030 3.213 2.555 3.688 . 0 0 "[ . 1 . 2]" 1
1795 1 72 SER QB 1 73 GLU HA . . 5.280 4.113 3.825 4.497 . 0 0 "[ . 1 . 2]" 1
1796 1 73 GLU H 1 73 GLU HB2 . . 4.060 3.610 3.538 3.656 . 0 0 "[ . 1 . 2]" 1
1797 1 73 GLU H 1 73 GLU HB3 . . 3.020 2.696 2.422 2.977 . 0 0 "[ . 1 . 2]" 1
1798 1 73 GLU H 1 73 GLU HG2 . . 4.290 2.234 1.755 2.698 . 0 0 "[ . 1 . 2]" 1
1799 1 73 GLU H 1 73 GLU HG3 . . 4.290 3.241 2.301 3.812 . 0 0 "[ . 1 . 2]" 1
1800 1 73 GLU H 1 73 GLU QG . . 4.390 2.163 1.723 2.572 . 0 0 "[ . 1 . 2]" 1
1801 1 73 GLU H 1 74 LYS H . . 3.220 2.716 2.571 2.973 . 0 0 "[ . 1 . 2]" 1
1802 1 73 GLU HB2 1 74 LYS HD2 . . 4.640 3.687 3.086 4.269 . 0 0 "[ . 1 . 2]" 1
1803 1 73 GLU HB2 1 74 LYS HD3 . . 4.640 4.090 3.466 4.469 . 0 0 "[ . 1 . 2]" 1
1804 1 73 GLU HB2 1 74 LYS QD . . 4.910 3.418 2.885 3.835 . 0 0 "[ . 1 . 2]" 1
1805 1 73 GLU HB3 1 74 LYS HD2 . . 5.500 5.179 4.623 5.561 0.061 11 0 "[ . 1 . 2]" 1
1806 1 73 GLU HB3 1 74 LYS HD3 . . 5.500 5.474 4.970 5.567 0.067 15 0 "[ . 1 . 2]" 1
1807 1 73 GLU QG 1 74 LYS H . . 4.680 2.286 1.934 2.631 . 0 0 "[ . 1 . 2]" 1
1808 1 73 GLU QG 1 74 LYS HA . . 5.520 4.084 3.729 4.518 . 0 0 "[ . 1 . 2]" 1
1809 1 73 GLU QG 1 74 LYS HB2 . . 5.140 3.897 3.625 4.331 . 0 0 "[ . 1 . 2]" 1
1810 1 73 GLU QG 1 74 LYS QE . . 6.510 4.589 4.165 5.269 . 0 0 "[ . 1 . 2]" 1
1811 1 73 GLU QG 1 74 LYS QG . . 5.590 2.203 2.023 2.521 . 0 0 "[ . 1 . 2]" 1
1812 1 74 LYS H 1 74 LYS HB2 . . 3.240 2.743 2.549 2.953 . 0 0 "[ . 1 . 2]" 1
1813 1 74 LYS H 1 74 LYS HB3 . . 4.070 3.777 3.650 3.864 . 0 0 "[ . 1 . 2]" 1
1814 1 74 LYS H 1 74 LYS HG2 . . 4.080 2.611 2.338 2.774 . 0 0 "[ . 1 . 2]" 1
1815 1 74 LYS H 1 74 LYS HG3 . . 4.080 4.010 3.764 4.137 0.057 2 0 "[ . 1 . 2]" 1
1816 1 74 LYS H 1 74 LYS QD . . 4.480 3.511 3.203 3.723 . 0 0 "[ . 1 . 2]" 1
1817 1 74 LYS H 1 74 LYS QG . . 4.220 2.579 2.316 2.733 . 0 0 "[ . 1 . 2]" 1
1818 1 74 LYS H 1 75 ALA H . . 4.750 4.526 4.457 4.603 . 0 0 "[ . 1 . 2]" 1
1819 1 74 LYS HA 1 74 LYS HD2 . . 4.090 2.321 2.163 2.646 . 0 0 "[ . 1 . 2]" 1
1820 1 74 LYS HA 1 74 LYS HD3 . . 4.090 3.871 3.713 4.125 0.035 13 0 "[ . 1 . 2]" 1
1821 1 74 LYS HA 1 74 LYS HG2 . . 4.220 3.345 3.199 3.547 . 0 0 "[ . 1 . 2]" 1
1822 1 74 LYS HA 1 74 LYS HG3 . . 4.220 3.852 3.740 3.951 . 0 0 "[ . 1 . 2]" 1
1823 1 74 LYS HA 1 75 ALA H . . 2.720 2.411 2.325 2.510 . 0 0 "[ . 1 . 2]" 1
1824 1 74 LYS HA 1 75 ALA MB . . 5.160 3.878 3.794 3.997 . 0 0 "[ . 1 . 2]" 1
1825 1 74 LYS HB2 1 75 ALA H . . 3.790 3.354 3.163 3.484 . 0 0 "[ . 1 . 2]" 1
1826 1 74 LYS HB3 1 74 LYS HD2 . . 3.810 3.138 2.825 3.399 . 0 0 "[ . 1 . 2]" 1
1827 1 74 LYS HB3 1 74 LYS HD3 . . 3.810 3.847 3.776 3.866 0.056 10 0 "[ . 1 . 2]" 1
1828 1 74 LYS HB3 1 75 ALA H . . 3.460 2.364 2.223 2.518 . 0 0 "[ . 1 . 2]" 1
1829 1 74 LYS HB3 1 75 ALA MB . . 6.430 4.342 4.226 4.517 . 0 0 "[ . 1 . 2]" 1
1830 1 75 ALA H 1 111 GLY HA2 . . 4.260 3.739 3.359 4.173 . 0 0 "[ . 1 . 2]" 1
1831 1 75 ALA H 1 76 ILE H . . 4.490 4.455 4.401 4.517 0.027 3 0 "[ . 1 . 2]" 1
1832 1 75 ALA HA 1 76 ILE H . . 2.820 2.598 2.448 2.735 . 0 0 "[ . 1 . 2]" 1
1833 1 75 ALA HA 1 76 ILE MG . . 5.300 3.542 3.228 3.768 . 0 0 "[ . 1 . 2]" 1
1834 1 75 ALA MB 1 112 GLU H . . 5.560 4.637 3.919 5.161 . 0 0 "[ . 1 . 2]" 1
1835 1 75 ALA MB 1 112 GLU HA . . 5.620 3.959 3.296 4.567 . 0 0 "[ . 1 . 2]" 1
1836 1 75 ALA MB 1 113 ASN QB . . 6.200 4.066 3.355 5.015 . 0 0 "[ . 1 . 2]" 1
1837 1 75 ALA MB 1 76 ILE H . . 3.930 2.301 2.171 2.446 . 0 0 "[ . 1 . 2]" 1
1838 1 75 ALA MB 1 77 PHE HZ . . 5.380 2.996 2.284 4.190 . 0 0 "[ . 1 . 2]" 1
1839 1 76 ILE H 1 111 GLY HA2 . . 4.590 4.338 3.951 4.649 0.059 3 0 "[ . 1 . 2]" 1
1840 1 76 ILE H 1 76 ILE HG12 . . 4.930 4.903 4.588 4.992 0.062 15 0 "[ . 1 . 2]" 1
1841 1 76 ILE H 1 76 ILE MG . . 4.130 2.395 2.290 2.554 . 0 0 "[ . 1 . 2]" 1
1842 1 76 ILE H 1 77 PHE H . . 4.240 4.188 4.036 4.288 0.048 18 0 "[ . 1 . 2]" 1
1843 1 76 ILE H 1 77 PHE QD . . 6.770 4.168 3.619 4.481 . 0 0 "[ . 1 . 2]" 1
1844 1 76 ILE H 1 77 PHE QE . . 5.900 4.097 3.829 4.315 . 0 0 "[ . 1 . 2]" 1
1845 1 76 ILE HA 1 109 TYR QD . . 6.790 4.504 4.147 4.889 . 0 0 "[ . 1 . 2]" 1
1846 1 76 ILE HA 1 111 GLY HA2 . . 3.980 2.600 2.215 3.150 . 0 0 "[ . 1 . 2]" 1
1847 1 76 ILE HA 1 111 GLY HA3 . . 4.470 4.065 3.631 4.519 0.049 12 0 "[ . 1 . 2]" 1
1848 1 76 ILE HA 1 76 ILE HG12 . . 3.880 3.704 3.447 3.836 . 0 0 "[ . 1 . 2]" 1
1849 1 76 ILE HA 1 76 ILE HG13 . . 3.670 2.793 2.332 3.134 . 0 0 "[ . 1 . 2]" 1
1850 1 76 ILE HA 1 77 PHE H . . 3.330 2.179 2.085 2.229 . 0 0 "[ . 1 . 2]" 1
1851 1 76 ILE HB 1 77 PHE H . . 4.320 4.117 3.977 4.273 . 0 0 "[ . 1 . 2]" 1
1852 1 76 ILE HG12 1 109 TYR HB2 . . 4.770 4.543 3.819 4.818 0.048 13 0 "[ . 1 . 2]" 1
1853 1 76 ILE HG12 1 77 PHE H . . 4.050 4.041 3.514 4.121 0.071 17 0 "[ . 1 . 2]" 1
1854 1 76 ILE HG13 1 109 TYR HB2 . . 4.570 3.621 2.982 3.947 . 0 0 "[ . 1 . 2]" 1
1855 1 76 ILE HG13 1 109 TYR QD . . 6.460 4.188 2.648 4.922 . 0 0 "[ . 1 . 2]" 1
1856 1 76 ILE HG13 1 110 SER H . . 4.400 4.312 3.458 4.463 0.063 17 0 "[ . 1 . 2]" 1
1857 1 76 ILE HG13 1 77 PHE H . . 3.640 2.561 2.379 2.931 . 0 0 "[ . 1 . 2]" 1
1858 1 76 ILE MD 1 109 TYR HB2 . . 5.610 2.785 2.189 4.288 . 0 0 "[ . 1 . 2]" 1
1859 1 76 ILE MD 1 109 TYR HB3 . . 5.640 3.888 3.389 5.291 . 0 0 "[ . 1 . 2]" 1
1860 1 76 ILE MD 1 109 TYR QD . . 6.690 2.471 2.113 3.368 . 0 0 "[ . 1 . 2]" 1
1861 1 76 ILE MD 1 109 TYR QE . . 8.010 3.554 2.936 3.828 . 0 0 "[ . 1 . 2]" 1
1862 1 76 ILE MD 1 110 SER H . . 6.080 3.721 2.903 5.371 . 0 0 "[ . 1 . 2]" 1
1863 1 76 ILE MD 1 77 PHE H . . 5.760 3.010 2.306 4.420 . 0 0 "[ . 1 . 2]" 1
1864 1 76 ILE MG 1 77 PHE H . . 5.470 4.048 3.880 4.380 . 0 0 "[ . 1 . 2]" 1
1865 1 77 PHE H 1 109 TYR QD . . 6.610 4.313 4.098 4.661 . 0 0 "[ . 1 . 2]" 1
1866 1 77 PHE H 1 110 SER H . . 3.550 2.743 2.571 2.998 . 0 0 "[ . 1 . 2]" 1
1867 1 77 PHE H 1 111 GLY H . . 5.500 5.180 5.022 5.329 . 0 0 "[ . 1 . 2]" 1
1868 1 77 PHE H 1 112 GLU H . . 5.090 5.012 4.316 5.155 0.065 17 0 "[ . 1 . 2]" 1
1869 1 77 PHE H 1 77 PHE HB2 . . 3.670 2.795 2.595 2.900 . 0 0 "[ . 1 . 2]" 1
1870 1 77 PHE H 1 77 PHE HB3 . . 4.140 3.857 3.743 3.919 . 0 0 "[ . 1 . 2]" 1
1871 1 77 PHE H 1 78 LEU H . . 4.540 4.304 4.164 4.440 . 0 0 "[ . 1 . 2]" 1
1872 1 77 PHE HA 1 78 LEU H . . 2.880 2.258 2.160 2.384 . 0 0 "[ . 1 . 2]" 1
1873 1 77 PHE HA 1 78 LEU HB2 . . 4.780 4.522 4.266 4.816 0.036 14 0 "[ . 1 . 2]" 1
1874 1 77 PHE HA 1 78 LEU HG . . 5.340 4.178 3.736 5.399 0.059 3 0 "[ . 1 . 2]" 1
1875 1 77 PHE HB2 1 110 SER H . . 4.100 3.384 3.015 3.702 . 0 0 "[ . 1 . 2]" 1
1876 1 77 PHE HB2 1 110 SER QB . . 6.220 3.850 2.566 5.033 . 0 0 "[ . 1 . 2]" 1
1877 1 77 PHE HB2 1 113 ASN HA . . 5.500 4.832 4.163 5.542 0.042 16 0 "[ . 1 . 2]" 1
1878 1 77 PHE HB2 1 78 LEU H . . 4.270 4.041 3.757 4.238 . 0 0 "[ . 1 . 2]" 1
1879 1 77 PHE HB2 1 79 PHE HZ . . 5.010 3.519 2.407 5.045 0.035 18 0 "[ . 1 . 2]" 1
1880 1 77 PHE HB2 1 79 PHE QE . . 6.540 2.716 2.256 3.486 . 0 0 "[ . 1 . 2]" 1
1881 1 77 PHE HB3 1 110 SER H . . 5.000 4.735 4.439 5.051 0.051 14 0 "[ . 1 . 2]" 1
1882 1 77 PHE HB3 1 78 LEU H . . 3.730 3.103 2.871 3.522 . 0 0 "[ . 1 . 2]" 1
1883 1 77 PHE HB3 1 79 PHE HZ . . 4.770 3.129 2.645 3.988 . 0 0 "[ . 1 . 2]" 1
1884 1 77 PHE HB3 1 79 PHE QE . . 6.960 3.022 2.309 3.705 . 0 0 "[ . 1 . 2]" 1
1885 1 77 PHE HZ 1 113 ASN HA . . 4.420 3.826 3.092 4.472 0.052 19 0 "[ . 1 . 2]" 1
1886 1 77 PHE HZ 1 113 ASN QB . . 5.320 2.737 2.361 3.468 . 0 0 "[ . 1 . 2]" 1
1887 1 77 PHE QD 1 110 SER H . . 7.060 4.496 4.013 5.182 . 0 0 "[ . 1 . 2]" 1
1888 1 77 PHE QD 1 112 GLU H . . 6.040 3.087 2.538 4.741 . 0 0 "[ . 1 . 2]" 1
1889 1 77 PHE QD 1 112 GLU HA . . 6.790 4.465 3.517 5.702 . 0 0 "[ . 1 . 2]" 1
1890 1 77 PHE QD 1 113 ASN HA . . 6.520 3.529 2.810 4.076 . 0 0 "[ . 1 . 2]" 1
1891 1 77 PHE QD 1 78 LEU H . . 6.260 4.177 3.899 4.492 . 0 0 "[ . 1 . 2]" 1
1892 1 77 PHE QE 1 112 GLU H . . 6.420 4.099 3.218 5.679 . 0 0 "[ . 1 . 2]" 1
1893 1 77 PHE QE 1 112 GLU HA . . 6.180 3.660 2.468 5.424 . 0 0 "[ . 1 . 2]" 1
1894 1 77 PHE QE 1 113 ASN H . . 6.540 3.260 2.892 4.086 . 0 0 "[ . 1 . 2]" 1
1895 1 77 PHE QE 1 113 ASN HA . . 5.710 3.032 2.100 3.792 . 0 0 "[ . 1 . 2]" 1
1896 1 77 PHE QE 1 113 ASN QB . . 7.160 2.843 2.315 3.304 . 0 0 "[ . 1 . 2]" 1
1897 1 78 LEU H 1 78 LEU HB2 . . 3.160 2.516 2.399 2.675 . 0 0 "[ . 1 . 2]" 1
1898 1 78 LEU H 1 78 LEU HB3 . . 3.680 3.689 3.612 3.738 0.058 14 0 "[ . 1 . 2]" 1
1899 1 78 LEU H 1 78 LEU HG . . 4.710 3.192 2.672 4.206 . 0 0 "[ . 1 . 2]" 1
1900 1 78 LEU H 1 78 LEU MD1 . . 5.500 3.801 2.709 4.158 . 0 0 "[ . 1 . 2]" 1
1901 1 78 LEU H 1 78 LEU MD2 . . 5.500 4.023 3.486 4.375 . 0 0 "[ . 1 . 2]" 1
1902 1 78 LEU H 1 79 PHE H . . 4.760 4.450 4.370 4.496 . 0 0 "[ . 1 . 2]" 1
1903 1 78 LEU HA 1 107 VAL QG . . 6.360 3.538 3.314 3.877 . 0 0 "[ . 1 . 2]" 1
1904 1 78 LEU HA 1 109 TYR HA . . 3.790 2.516 2.348 2.711 . 0 0 "[ . 1 . 2]" 1
1905 1 78 LEU HA 1 110 SER H . . 4.270 4.007 3.799 4.251 . 0 0 "[ . 1 . 2]" 1
1906 1 78 LEU HA 1 79 PHE H . . 3.040 2.234 2.129 2.306 . 0 0 "[ . 1 . 2]" 1
1907 1 78 LEU HB2 1 107 VAL QG . . 5.980 3.968 3.723 4.278 . 0 0 "[ . 1 . 2]" 1
1908 1 78 LEU HB2 1 79 PHE H . . 4.420 3.951 3.488 4.334 . 0 0 "[ . 1 . 2]" 1
1909 1 78 LEU HB2 1 85 PRO HD2 . . 4.520 3.754 3.223 4.463 . 0 0 "[ . 1 . 2]" 1
1910 1 78 LEU HB2 1 85 PRO HG3 . . 4.320 4.101 2.933 4.381 0.061 19 0 "[ . 1 . 2]" 1
1911 1 78 LEU HB3 1 107 VAL QG . . 5.810 2.620 2.374 2.938 . 0 0 "[ . 1 . 2]" 1
1912 1 78 LEU HB3 1 79 PHE H . . 3.810 2.817 2.463 3.279 . 0 0 "[ . 1 . 2]" 1
1913 1 78 LEU HB3 1 85 PRO HD2 . . 4.590 4.334 3.775 4.643 0.053 14 0 "[ . 1 . 2]" 1
1914 1 78 LEU HG 1 107 VAL QG . . 6.360 4.284 3.290 4.710 . 0 0 "[ . 1 . 2]" 1
1915 1 78 LEU HG 1 79 PHE H . . 4.810 4.745 4.012 4.882 0.072 14 0 "[ . 1 . 2]" 1
1916 1 78 LEU QD 1 107 VAL QG . . 7.360 2.208 1.929 2.872 . 0 0 "[ . 1 . 2]" 1
1917 1 78 LEU QD 1 108 ALA H . . 7.540 4.412 3.917 5.381 . 0 0 "[ . 1 . 2]" 1
1918 1 78 LEU QD 1 108 ALA MB . . 8.560 4.869 4.529 5.774 . 0 0 "[ . 1 . 2]" 1
1919 1 78 LEU QD 1 109 TYR HA . . 6.400 3.043 2.674 4.191 . 0 0 "[ . 1 . 2]" 1
1920 1 78 LEU QD 1 109 TYR HB2 . . 6.270 2.610 2.195 3.392 . 0 0 "[ . 1 . 2]" 1
1921 1 78 LEU QD 1 109 TYR HB3 . . 6.050 2.248 2.015 3.559 . 0 0 "[ . 1 . 2]" 1
1922 1 78 LEU QD 1 109 TYR QD . . 8.550 3.686 3.402 4.373 . 0 0 "[ . 1 . 2]" 1
1923 1 78 LEU QD 1 110 SER H . . 7.510 4.164 3.724 4.625 . 0 0 "[ . 1 . 2]" 1
1924 1 78 LEU QD 1 79 PHE H . . 6.160 3.350 3.154 4.147 . 0 0 "[ . 1 . 2]" 1
1925 1 78 LEU QD 1 85 PRO HG2 . . 6.820 3.900 2.994 4.528 . 0 0 "[ . 1 . 2]" 1
1926 1 78 LEU QD 1 85 PRO HG3 . . 6.370 4.078 3.298 4.446 . 0 0 "[ . 1 . 2]" 1
1927 1 79 PHE H 1 107 VAL MG1 . . 5.720 4.280 2.511 5.265 . 0 0 "[ . 1 . 2]" 1
1928 1 79 PHE H 1 107 VAL MG2 . . 5.720 3.524 2.486 5.496 . 0 0 "[ . 1 . 2]" 1
1929 1 79 PHE H 1 107 VAL QG . . 5.640 2.713 2.481 2.977 . 0 0 "[ . 1 . 2]" 1
1930 1 79 PHE H 1 108 ALA H . . 3.480 2.994 2.774 3.163 . 0 0 "[ . 1 . 2]" 1
1931 1 79 PHE H 1 108 ALA HA . . 5.010 4.928 4.806 5.068 0.058 11 0 "[ . 1 . 2]" 1
1932 1 79 PHE H 1 108 ALA MB . . 4.970 3.687 3.518 3.879 . 0 0 "[ . 1 . 2]" 1
1933 1 79 PHE H 1 109 TYR HA . . 4.090 3.631 3.476 3.811 . 0 0 "[ . 1 . 2]" 1
1934 1 79 PHE H 1 79 PHE HB2 . . 3.600 2.811 2.680 2.913 . 0 0 "[ . 1 . 2]" 1
1935 1 79 PHE H 1 80 VAL H . . 4.350 4.287 4.156 4.371 0.021 1 0 "[ . 1 . 2]" 1
1936 1 79 PHE H 1 85 PRO HD3 . . 5.480 5.150 4.443 5.532 0.052 11 0 "[ . 1 . 2]" 1
1937 1 79 PHE HA 1 108 ALA H . . 4.930 4.931 4.794 4.997 0.067 6 0 "[ . 1 . 2]" 1
1938 1 79 PHE HA 1 80 VAL H . . 3.040 2.230 2.154 2.294 . 0 0 "[ . 1 . 2]" 1
1939 1 79 PHE HA 1 80 VAL QG . . 6.290 3.723 3.425 4.122 . 0 0 "[ . 1 . 2]" 1
1940 1 79 PHE HA 1 83 THR H . . 4.340 4.232 4.038 4.397 0.057 18 0 "[ . 1 . 2]" 1
1941 1 79 PHE HA 1 85 PRO HD2 . . 4.360 3.651 2.980 3.946 . 0 0 "[ . 1 . 2]" 1
1942 1 79 PHE HA 1 85 PRO HD3 . . 3.950 3.198 2.453 3.658 . 0 0 "[ . 1 . 2]" 1
1943 1 79 PHE HB2 1 108 ALA H . . 4.450 3.567 3.170 4.122 . 0 0 "[ . 1 . 2]" 1
1944 1 79 PHE HB2 1 108 ALA MB . . 4.490 2.673 2.362 3.428 . 0 0 "[ . 1 . 2]" 1
1945 1 79 PHE HB3 1 108 ALA MB . . 5.250 4.058 3.750 4.648 . 0 0 "[ . 1 . 2]" 1
1946 1 79 PHE HB3 1 80 VAL H . . 3.850 3.298 2.965 3.552 . 0 0 "[ . 1 . 2]" 1
1947 1 79 PHE HB3 1 83 THR H . . 4.340 4.047 3.712 4.386 0.046 9 0 "[ . 1 . 2]" 1
1948 1 79 PHE QD 1 108 ALA H . . 6.970 4.719 4.030 5.474 . 0 0 "[ . 1 . 2]" 1
1949 1 79 PHE QD 1 108 ALA HA . . 7.630 5.535 4.671 6.628 . 0 0 "[ . 1 . 2]" 1
1950 1 79 PHE QD 1 108 ALA MB . . 6.980 3.483 2.676 4.429 . 0 0 "[ . 1 . 2]" 1
1951 1 79 PHE QD 1 109 TYR HA . . 6.560 3.255 2.564 4.040 . 0 0 "[ . 1 . 2]" 1
1952 1 79 PHE QD 1 110 SER H . . 6.740 4.255 3.898 4.845 . 0 0 "[ . 1 . 2]" 1
1953 1 79 PHE QD 1 80 VAL H . . 6.420 4.337 3.915 4.774 . 0 0 "[ . 1 . 2]" 1
1954 1 79 PHE QD 1 83 THR H . . 6.610 4.716 3.864 5.442 . 0 0 "[ . 1 . 2]" 1
1955 1 79 PHE QD 1 83 THR HA . . 6.970 4.888 3.937 6.029 . 0 0 "[ . 1 . 2]" 1
1956 1 79 PHE QD 1 84 VAL H . . 6.670 5.366 4.368 6.364 . 0 0 "[ . 1 . 2]" 1
1957 1 79 PHE QE 1 110 SER H . . 6.430 3.790 2.665 5.298 . 0 0 "[ . 1 . 2]" 1
1958 1 79 PHE QE 1 110 SER HB2 . . 6.610 4.177 2.317 6.268 . 0 0 "[ . 1 . 2]" 1
1959 1 79 PHE QE 1 110 SER HB3 . . 6.610 3.799 2.338 6.035 . 0 0 "[ . 1 . 2]" 1
1960 1 79 PHE QE 1 110 SER QB . . 6.830 3.448 2.251 5.474 . 0 0 "[ . 1 . 2]" 1
1961 1 79 PHE QE 1 84 VAL H . . 7.630 6.490 5.233 7.690 0.060 13 0 "[ . 1 . 2]" 1
1962 1 80 VAL H 1 107 VAL HA . . 5.500 5.208 5.000 5.447 . 0 0 "[ . 1 . 2]" 1
1963 1 80 VAL H 1 80 VAL HB . . 3.610 2.982 2.495 3.295 . 0 0 "[ . 1 . 2]" 1
1964 1 80 VAL H 1 81 ASP H . . 4.590 4.272 4.066 4.360 . 0 0 "[ . 1 . 2]" 1
1965 1 80 VAL H 1 82 LYS H . . 4.530 3.952 3.635 4.348 . 0 0 "[ . 1 . 2]" 1
1966 1 80 VAL H 1 83 THR H . . 3.380 2.776 2.554 3.060 . 0 0 "[ . 1 . 2]" 1
1967 1 80 VAL H 1 83 THR HA . . 5.170 4.854 4.700 5.046 . 0 0 "[ . 1 . 2]" 1
1968 1 80 VAL H 1 84 VAL H . . 5.200 5.176 5.001 5.255 0.055 11 0 "[ . 1 . 2]" 1
1969 1 80 VAL H 1 85 PRO HD3 . . 3.830 2.849 2.519 3.234 . 0 0 "[ . 1 . 2]" 1
1970 1 80 VAL HA 1 107 VAL HA . . 3.570 2.875 2.658 3.117 . 0 0 "[ . 1 . 2]" 1
1971 1 80 VAL HA 1 107 VAL QG . . 6.610 3.237 2.637 3.778 . 0 0 "[ . 1 . 2]" 1
1972 1 80 VAL HA 1 108 ALA H . . 4.410 3.711 3.333 3.944 . 0 0 "[ . 1 . 2]" 1
1973 1 80 VAL HA 1 108 ALA MB . . 6.520 4.740 4.301 4.943 . 0 0 "[ . 1 . 2]" 1
1974 1 80 VAL HA 1 81 ASP H . . 3.310 2.244 2.160 2.359 . 0 0 "[ . 1 . 2]" 1
1975 1 80 VAL HA 1 81 ASP HA . . 4.630 4.422 4.313 4.521 . 0 0 "[ . 1 . 2]" 1
1976 1 80 VAL HA 1 83 THR H . . 4.520 4.480 4.371 4.556 0.036 18 0 "[ . 1 . 2]" 1
1977 1 80 VAL HA 1 83 THR MG . . 6.060 5.922 5.022 6.149 0.089 4 0 "[ . 1 . 2]" 1
1978 1 80 VAL HA 1 85 PRO HG3 . . 5.500 5.525 5.280 5.564 0.064 19 0 "[ . 1 . 2]" 1
1979 1 80 VAL HB 1 107 VAL HB . . 4.970 4.278 2.803 5.043 0.073 1 0 "[ . 1 . 2]" 1
1980 1 80 VAL HB 1 107 VAL MG1 . . 6.190 4.266 2.191 6.240 0.050 4 0 "[ . 1 . 2]" 1
1981 1 80 VAL HB 1 107 VAL MG2 . . 6.190 2.878 2.077 4.681 . 0 0 "[ . 1 . 2]" 1
1982 1 80 VAL HB 1 107 VAL QG . . 6.580 2.715 2.063 4.555 . 0 0 "[ . 1 . 2]" 1
1983 1 80 VAL HB 1 81 ASP H . . 4.420 4.345 4.078 4.465 0.045 11 0 "[ . 1 . 2]" 1
1984 1 80 VAL HB 1 83 THR H . . 5.290 5.128 4.114 5.365 0.075 3 0 "[ . 1 . 2]" 1
1985 1 80 VAL HB 1 83 THR MG . . 6.520 6.042 4.598 6.598 0.078 16 0 "[ . 1 . 2]" 1
1986 1 80 VAL HB 1 85 PRO HG3 . . 4.870 3.417 2.970 4.641 . 0 0 "[ . 1 . 2]" 1
1987 1 80 VAL HB 1 94 LEU QD . . 7.010 3.980 3.514 4.704 . 0 0 "[ . 1 . 2]" 1
1988 1 80 VAL MG1 1 105 LEU MD2 . . 6.950 3.794 2.122 4.668 . 0 0 "[ . 1 . 2]" 1
1989 1 80 VAL MG1 1 83 THR H . . 6.130 3.774 3.299 4.971 . 0 0 "[ . 1 . 2]" 1
1990 1 80 VAL MG1 1 85 PRO HG3 . . 5.670 2.952 2.270 5.064 . 0 0 "[ . 1 . 2]" 1
1991 1 80 VAL MG1 1 98 GLU HG3 . . 5.570 4.479 3.959 4.996 . 0 0 "[ . 1 . 2]" 1
1992 1 80 VAL MG2 1 105 LEU MD2 . . 6.950 2.756 2.275 3.657 . 0 0 "[ . 1 . 2]" 1
1993 1 80 VAL MG2 1 83 THR H . . 6.130 4.928 4.412 5.330 . 0 0 "[ . 1 . 2]" 1
1994 1 80 VAL MG2 1 85 PRO HG3 . . 5.670 3.932 2.163 4.490 . 0 0 "[ . 1 . 2]" 1
1995 1 80 VAL MG2 1 98 GLU HG3 . . 5.570 4.847 3.955 5.650 0.080 11 0 "[ . 1 . 2]" 1
1996 1 80 VAL QG 1 105 LEU HG . . 6.150 2.831 2.377 3.594 . 0 0 "[ . 1 . 2]" 1
1997 1 80 VAL QG 1 105 LEU MD1 . . 6.240 2.514 2.020 3.640 . 0 0 "[ . 1 . 2]" 1
1998 1 80 VAL QG 1 105 LEU MD2 . . 6.720 2.637 2.044 3.533 . 0 0 "[ . 1 . 2]" 1
1999 1 80 VAL QG 1 106 TYR H . . 6.270 3.587 3.150 3.898 . 0 0 "[ . 1 . 2]" 1
2000 1 80 VAL QG 1 107 VAL HA . . 5.930 2.922 2.321 3.547 . 0 0 "[ . 1 . 2]" 1
2001 1 80 VAL QG 1 107 VAL HB . . 6.750 3.252 2.031 4.719 . 0 0 "[ . 1 . 2]" 1
2002 1 80 VAL QG 1 107 VAL QG . . 6.990 2.464 2.043 3.298 . 0 0 "[ . 1 . 2]" 1
2003 1 80 VAL QG 1 81 ASP H . . 5.660 2.764 2.474 2.971 . 0 0 "[ . 1 . 2]" 1
2004 1 80 VAL QG 1 81 ASP HA . . 7.050 4.162 3.947 4.421 . 0 0 "[ . 1 . 2]" 1
2005 1 80 VAL QG 1 81 ASP QB . . 6.520 2.754 2.444 3.135 . 0 0 "[ . 1 . 2]" 1
2006 1 80 VAL QG 1 83 THR H . . 6.260 3.629 3.211 4.399 . 0 0 "[ . 1 . 2]" 1
2007 1 80 VAL QG 1 83 THR HB . . 7.400 4.563 3.917 5.702 . 0 0 "[ . 1 . 2]" 1
2008 1 80 VAL QG 1 83 THR MG . . 6.530 3.891 2.664 4.978 . 0 0 "[ . 1 . 2]" 1
2009 1 80 VAL QG 1 85 PRO HA . . 6.370 3.731 3.374 4.991 . 0 0 "[ . 1 . 2]" 1
2010 1 80 VAL QG 1 85 PRO HB2 . . 6.110 3.614 3.277 4.489 . 0 0 "[ . 1 . 2]" 1
2011 1 80 VAL QG 1 85 PRO HB3 . . 6.070 2.337 2.037 3.568 . 0 0 "[ . 1 . 2]" 1
2012 1 80 VAL QG 1 85 PRO HD2 . . 5.810 3.714 3.477 4.517 . 0 0 "[ . 1 . 2]" 1
2013 1 80 VAL QG 1 85 PRO HD3 . . 5.960 2.263 1.977 3.599 . 0 0 "[ . 1 . 2]" 1
2014 1 80 VAL QG 1 85 PRO HG2 . . 6.340 3.800 3.555 4.263 . 0 0 "[ . 1 . 2]" 1
2015 1 80 VAL QG 1 85 PRO HG3 . . 5.580 2.484 2.160 2.915 . 0 0 "[ . 1 . 2]" 1
2016 1 80 VAL QG 1 94 LEU HG . . 6.540 3.788 3.366 4.344 . 0 0 "[ . 1 . 2]" 1
2017 1 80 VAL QG 1 94 LEU QD . . 7.080 2.381 2.020 2.977 . 0 0 "[ . 1 . 2]" 1
2018 1 80 VAL QG 1 98 GLU QB . . 6.520 3.021 2.453 3.591 . 0 0 "[ . 1 . 2]" 1
2019 1 81 ASP H 1 107 VAL HA . . 4.740 4.449 3.927 4.802 0.062 9 0 "[ . 1 . 2]" 1
2020 1 81 ASP H 1 82 LYS H . . 3.800 2.984 2.840 3.132 . 0 0 "[ . 1 . 2]" 1
2021 1 81 ASP HA 1 82 LYS QD . . 4.990 4.501 2.639 5.072 0.082 8 0 "[ . 1 . 2]" 1
2022 1 81 ASP HA 1 82 LYS QG . . 5.600 4.541 3.330 5.676 0.076 1 0 "[ . 1 . 2]" 1
2023 1 81 ASP HB2 1 82 LYS H . . 4.670 4.575 4.239 4.687 0.017 11 0 "[ . 1 . 2]" 1
2024 1 81 ASP HB3 1 82 LYS H . . 4.670 4.335 4.170 4.487 . 0 0 "[ . 1 . 2]" 1
2025 1 81 ASP QB 1 82 LYS H . . 4.830 3.954 3.859 4.042 . 0 0 "[ . 1 . 2]" 1
2026 1 82 LYS H 1 82 LYS QG . . 5.100 3.361 2.490 4.335 . 0 0 "[ . 1 . 2]" 1
2027 1 82 LYS H 1 83 THR H . . 3.230 2.770 2.615 2.989 . 0 0 "[ . 1 . 2]" 1
2028 1 82 LYS HB2 1 82 LYS QE . . 4.780 3.769 2.081 4.472 . 0 0 "[ . 1 . 2]" 1
2029 1 82 LYS HB2 1 83 THR H . . 4.390 4.320 4.070 4.456 0.066 13 0 "[ . 1 . 2]" 1
2030 1 82 LYS HB2 1 83 THR MG . . 4.990 4.103 3.370 5.052 0.062 9 0 "[ . 1 . 2]" 1
2031 1 82 LYS HB3 1 83 THR H . . 4.560 4.415 4.043 4.609 0.049 15 0 "[ . 1 . 2]" 1
2032 1 82 LYS HB3 1 83 THR MG . . 5.940 4.210 3.323 5.574 . 0 0 "[ . 1 . 2]" 1
2033 1 82 LYS QE 1 83 THR MG . . 7.400 6.427 5.226 7.271 . 0 0 "[ . 1 . 2]" 1
2034 1 83 THR H 1 83 THR HB . . 4.000 3.732 3.249 3.893 . 0 0 "[ . 1 . 2]" 1
2035 1 83 THR H 1 83 THR MG . . 4.680 2.792 2.457 3.096 . 0 0 "[ . 1 . 2]" 1
2036 1 83 THR H 1 84 VAL H . . 4.560 4.432 4.299 4.497 . 0 0 "[ . 1 . 2]" 1
2037 1 83 THR HA 1 84 VAL H . . 3.080 2.390 2.310 2.497 . 0 0 "[ . 1 . 2]" 1
2038 1 83 THR HB 1 84 VAL H . . 3.840 2.636 2.331 3.884 0.044 15 0 "[ . 1 . 2]" 1
2039 1 83 THR MG 1 84 VAL H . . 5.190 3.739 3.257 3.972 . 0 0 "[ . 1 . 2]" 1
2040 1 84 VAL H 1 84 VAL HB . . 3.160 2.806 2.327 3.171 0.011 13 0 "[ . 1 . 2]" 1
2041 1 84 VAL H 1 85 PRO HD2 . . 4.900 4.848 4.742 4.958 0.058 15 0 "[ . 1 . 2]" 1
2042 1 84 VAL H 1 85 PRO HD3 . . 4.860 4.399 4.179 4.667 . 0 0 "[ . 1 . 2]" 1
2043 1 85 PRO HA 1 86 GLN H . . 2.860 2.193 2.115 2.304 . 0 0 "[ . 1 . 2]" 1
2044 1 85 PRO HA 1 86 GLN QB . . 5.350 4.081 3.919 4.154 . 0 0 "[ . 1 . 2]" 1
2045 1 85 PRO HA 1 89 LEU QD . . 6.500 4.228 3.784 4.761 . 0 0 "[ . 1 . 2]" 1
2046 1 85 PRO HA 1 94 LEU QD . . 7.270 3.559 3.011 4.305 . 0 0 "[ . 1 . 2]" 1
2047 1 85 PRO HB2 1 86 GLN H . . 3.840 3.398 2.954 3.716 . 0 0 "[ . 1 . 2]" 1
2048 1 85 PRO HB2 1 86 GLN HA . . 5.050 4.979 4.785 5.105 0.055 17 0 "[ . 1 . 2]" 1
2049 1 85 PRO HB2 1 94 LEU QD . . 6.500 2.578 2.342 3.066 . 0 0 "[ . 1 . 2]" 1
2050 1 85 PRO HB3 1 86 GLN H . . 4.140 3.910 3.596 4.181 0.041 18 0 "[ . 1 . 2]" 1
2051 1 85 PRO HB3 1 94 LEU QD . . 5.750 2.361 2.058 2.797 . 0 0 "[ . 1 . 2]" 1
2052 1 85 PRO HD3 1 86 GLN H . . 5.500 5.547 5.447 5.565 0.065 2 0 "[ . 1 . 2]" 1
2053 1 85 PRO HG3 1 107 VAL QG . . 7.030 3.685 3.267 4.295 . 0 0 "[ . 1 . 2]" 1
2054 1 85 PRO HG3 1 94 LEU QD . . 6.440 3.556 3.053 4.301 . 0 0 "[ . 1 . 2]" 1
2055 1 86 GLN H 1 86 GLN HG2 . . 4.650 4.386 4.198 4.504 . 0 0 "[ . 1 . 2]" 1
2056 1 86 GLN H 1 86 GLN HG3 . . 4.650 4.482 4.365 4.570 . 0 0 "[ . 1 . 2]" 1
2057 1 86 GLN H 1 86 GLN QB . . 3.650 2.238 2.156 2.327 . 0 0 "[ . 1 . 2]" 1
2058 1 86 GLN H 1 86 GLN QG . . 4.960 3.947 3.859 4.020 . 0 0 "[ . 1 . 2]" 1
2059 1 86 GLN H 1 89 LEU H . . 4.660 4.708 4.637 4.722 0.062 13 0 "[ . 1 . 2]" 1
2060 1 86 GLN H 1 89 LEU HB2 . . 4.000 3.883 3.716 4.063 0.063 17 0 "[ . 1 . 2]" 1
2061 1 86 GLN H 1 89 LEU HB3 . . 4.580 4.091 3.931 4.403 . 0 0 "[ . 1 . 2]" 1
2062 1 86 GLN H 1 89 LEU QD . . 5.380 3.461 3.166 3.908 . 0 0 "[ . 1 . 2]" 1
2063 1 86 GLN HA 1 86 GLN HG2 . . 3.970 3.408 3.016 3.765 . 0 0 "[ . 1 . 2]" 1
2064 1 86 GLN HA 1 86 GLN HG3 . . 3.970 2.545 2.411 2.782 . 0 0 "[ . 1 . 2]" 1
2065 1 86 GLN HA 1 87 SER H . . 2.650 2.167 2.115 2.238 . 0 0 "[ . 1 . 2]" 1
2066 1 86 GLN HA 1 87 SER HA . . 4.790 4.413 4.353 4.471 . 0 0 "[ . 1 . 2]" 1
2067 1 86 GLN HA 1 87 SER QB . . 6.100 4.389 4.250 4.676 . 0 0 "[ . 1 . 2]" 1
2068 1 86 GLN HA 1 89 LEU H . . 4.810 4.676 4.576 4.786 . 0 0 "[ . 1 . 2]" 1
2069 1 86 GLN HE22 1 88 SER H . . 4.140 3.877 3.010 4.209 0.069 20 0 "[ . 1 . 2]" 1
2070 1 86 GLN HE22 1 89 LEU H . . 4.690 4.341 3.603 4.759 0.069 17 0 "[ . 1 . 2]" 1
2071 1 86 GLN HG2 1 87 SER H . . 4.090 3.703 3.258 4.166 0.076 17 0 "[ . 1 . 2]" 1
2072 1 86 GLN HG2 1 88 SER H . . 4.020 2.242 1.784 3.278 . 0 0 "[ . 1 . 2]" 1
2073 1 86 GLN HG2 1 89 LEU HB2 . . 4.730 3.316 3.084 3.566 . 0 0 "[ . 1 . 2]" 1
2074 1 86 GLN HG3 1 87 SER H . . 4.090 2.992 2.481 3.719 . 0 0 "[ . 1 . 2]" 1
2075 1 86 GLN HG3 1 88 SER H . . 4.020 2.679 2.041 3.418 . 0 0 "[ . 1 . 2]" 1
2076 1 86 GLN HG3 1 89 LEU HB2 . . 4.730 4.711 4.067 4.796 0.066 10 0 "[ . 1 . 2]" 1
2077 1 86 GLN QB 1 87 SER H . . 4.870 3.851 3.712 3.944 . 0 0 "[ . 1 . 2]" 1
2078 1 86 GLN QB 1 87 SER HA . . 6.370 5.218 4.948 5.307 . 0 0 "[ . 1 . 2]" 1
2079 1 86 GLN QB 1 87 SER QB . . 7.260 5.460 5.142 5.612 . 0 0 "[ . 1 . 2]" 1
2080 1 86 GLN QB 1 88 SER H . . 4.780 3.942 3.692 4.187 . 0 0 "[ . 1 . 2]" 1
2081 1 86 GLN QB 1 89 LEU H . . 4.560 3.290 2.826 3.584 . 0 0 "[ . 1 . 2]" 1
2082 1 86 GLN QB 1 89 LEU HA . . 5.460 4.589 4.312 5.038 . 0 0 "[ . 1 . 2]" 1
2083 1 86 GLN QB 1 89 LEU HB2 . . 4.370 2.434 2.076 3.001 . 0 0 "[ . 1 . 2]" 1
2084 1 86 GLN QB 1 89 LEU MD1 . . 6.370 3.943 3.579 4.541 . 0 0 "[ . 1 . 2]" 1
2085 1 86 GLN QB 1 89 LEU MD2 . . 6.370 3.258 2.849 3.667 . 0 0 "[ . 1 . 2]" 1
2086 1 86 GLN QB 1 89 LEU QD . . 6.280 3.109 2.764 3.520 . 0 0 "[ . 1 . 2]" 1
2087 1 86 GLN QG 1 87 SER H . . 4.380 2.833 2.432 3.137 . 0 0 "[ . 1 . 2]" 1
2088 1 86 GLN QG 1 88 SER H . . 4.210 2.072 1.746 2.337 . 0 0 "[ . 1 . 2]" 1
2089 1 86 GLN QG 1 88 SER QB . . 5.930 2.582 2.147 3.717 . 0 0 "[ . 1 . 2]" 1
2090 1 86 GLN QG 1 89 LEU H . . 4.680 2.619 2.378 2.891 . 0 0 "[ . 1 . 2]" 1
2091 1 86 GLN QG 1 89 LEU HB2 . . 4.960 3.250 3.039 3.473 . 0 0 "[ . 1 . 2]" 1
2092 1 86 GLN QG 1 89 LEU QD . . 7.960 4.098 3.851 4.237 . 0 0 "[ . 1 . 2]" 1
2093 1 87 SER H 1 88 SER H . . 3.350 2.984 2.785 3.277 . 0 0 "[ . 1 . 2]" 1
2094 1 87 SER H 1 89 LEU H . . 4.570 4.377 4.267 4.462 . 0 0 "[ . 1 . 2]" 1
2095 1 87 SER HA 1 89 LEU H . . 4.370 3.987 3.778 4.174 . 0 0 "[ . 1 . 2]" 1
2096 1 87 SER QB 1 88 SER H . . 4.890 3.256 2.684 3.746 . 0 0 "[ . 1 . 2]" 1
2097 1 87 SER QB 1 88 SER HA . . 5.050 4.266 4.001 4.560 . 0 0 "[ . 1 . 2]" 1
2098 1 88 SER H 1 88 SER HB2 . . 3.540 2.455 2.110 3.525 . 0 0 "[ . 1 . 2]" 1
2099 1 88 SER H 1 88 SER HB3 . . 3.540 2.896 2.330 3.577 0.037 3 0 "[ . 1 . 2]" 1
2100 1 88 SER H 1 88 SER QB . . 3.920 2.274 2.087 2.779 . 0 0 "[ . 1 . 2]" 1
2101 1 88 SER H 1 89 LEU H . . 3.080 2.717 2.429 2.932 . 0 0 "[ . 1 . 2]" 1
2102 1 88 SER HB2 1 89 LEU H . . 4.980 4.068 3.225 4.465 . 0 0 "[ . 1 . 2]" 1
2103 1 88 SER HB3 1 89 LEU H . . 4.980 3.790 3.219 4.609 . 0 0 "[ . 1 . 2]" 1
2104 1 88 SER QB 1 89 LEU H . . 5.010 3.384 3.119 3.909 . 0 0 "[ . 1 . 2]" 1
2105 1 89 LEU H 1 89 LEU HB2 . . 2.820 2.407 2.276 2.531 . 0 0 "[ . 1 . 2]" 1
2106 1 89 LEU H 1 89 LEU HB3 . . 3.320 2.520 2.420 2.807 . 0 0 "[ . 1 . 2]" 1
2107 1 89 LEU H 1 89 LEU MD1 . . 5.490 4.084 3.968 4.159 . 0 0 "[ . 1 . 2]" 1
2108 1 89 LEU H 1 89 LEU MD2 . . 5.490 4.207 4.113 4.360 . 0 0 "[ . 1 . 2]" 1
2109 1 89 LEU H 1 90 THR H . . 4.630 4.671 4.623 4.690 0.060 11 0 "[ . 1 . 2]" 1
2110 1 89 LEU H 1 90 THR MG . . 6.470 5.930 5.256 6.548 0.078 9 0 "[ . 1 . 2]" 1
2111 1 89 LEU HA 1 89 LEU HG . . 4.100 3.118 2.917 3.211 . 0 0 "[ . 1 . 2]" 1
2112 1 89 LEU HA 1 90 THR H . . 2.820 2.349 2.254 2.486 . 0 0 "[ . 1 . 2]" 1
2113 1 89 LEU HA 1 90 THR MG . . 5.220 4.376 3.538 5.293 0.073 20 0 "[ . 1 . 2]" 1
2114 1 89 LEU HA 1 93 GLN HB2 . . 5.400 4.667 4.395 5.239 . 0 0 "[ . 1 . 2]" 1
2115 1 89 LEU HA 1 93 GLN QG . . 6.380 5.353 4.561 5.933 . 0 0 "[ . 1 . 2]" 1
2116 1 89 LEU HB3 1 90 THR H . . 4.180 3.893 3.680 4.039 . 0 0 "[ . 1 . 2]" 1
2117 1 89 LEU HG 1 90 THR H . . 3.620 2.616 2.296 2.870 . 0 0 "[ . 1 . 2]" 1
2118 1 89 LEU HG 1 93 GLN H . . 5.480 4.520 4.061 4.956 . 0 0 "[ . 1 . 2]" 1
2119 1 89 LEU HG 1 93 GLN HB3 . . 3.880 3.198 2.403 3.767 . 0 0 "[ . 1 . 2]" 1
2120 1 89 LEU HG 1 94 LEU H . . 4.410 2.939 2.755 3.227 . 0 0 "[ . 1 . 2]" 1
2121 1 89 LEU HG 1 94 LEU QD . . 7.060 3.730 3.359 4.412 . 0 0 "[ . 1 . 2]" 1
2122 1 89 LEU MD1 1 93 GLN HB2 . . 6.090 2.798 2.503 3.286 . 0 0 "[ . 1 . 2]" 1
2123 1 89 LEU MD1 1 93 GLN HB3 . . 5.260 2.280 2.065 2.526 . 0 0 "[ . 1 . 2]" 1
2124 1 89 LEU MD1 1 93 GLN QG . . 7.400 3.228 2.215 3.867 . 0 0 "[ . 1 . 2]" 1
2125 1 89 LEU MD1 1 94 LEU H . . 5.100 3.866 3.464 4.182 . 0 0 "[ . 1 . 2]" 1
2126 1 89 LEU MD1 1 94 LEU HA . . 4.810 4.184 3.492 4.665 . 0 0 "[ . 1 . 2]" 1
2127 1 89 LEU MD1 1 94 LEU HB2 . . 5.160 4.021 3.645 4.559 . 0 0 "[ . 1 . 2]" 1
2128 1 89 LEU MD1 1 94 LEU HB3 . . 5.770 5.159 4.881 5.509 . 0 0 "[ . 1 . 2]" 1
2129 1 89 LEU MD1 1 97 LYS QB . . 6.840 5.065 4.397 5.670 . 0 0 "[ . 1 . 2]" 1
2130 1 89 LEU MD1 1 97 LYS QE . . 6.390 4.805 3.701 5.923 . 0 0 "[ . 1 . 2]" 1
2131 1 89 LEU MD2 1 93 GLN HB2 . . 6.090 4.028 3.308 4.720 . 0 0 "[ . 1 . 2]" 1
2132 1 89 LEU MD2 1 93 GLN HB3 . . 5.260 3.315 2.475 3.835 . 0 0 "[ . 1 . 2]" 1
2133 1 89 LEU MD2 1 93 GLN QG . . 7.400 4.797 3.833 5.393 . 0 0 "[ . 1 . 2]" 1
2134 1 89 LEU MD2 1 94 LEU H . . 5.100 3.463 3.088 3.821 . 0 0 "[ . 1 . 2]" 1
2135 1 89 LEU MD2 1 94 LEU HA . . 4.810 2.542 2.338 2.879 . 0 0 "[ . 1 . 2]" 1
2136 1 89 LEU MD2 1 94 LEU HB2 . . 5.160 2.252 2.125 2.515 . 0 0 "[ . 1 . 2]" 1
2137 1 89 LEU MD2 1 94 LEU HB3 . . 5.770 3.726 3.600 3.992 . 0 0 "[ . 1 . 2]" 1
2138 1 89 LEU MD2 1 97 LYS QB . . 6.840 4.514 4.154 4.914 . 0 0 "[ . 1 . 2]" 1
2139 1 89 LEU MD2 1 97 LYS QE . . 6.390 3.771 2.976 4.692 . 0 0 "[ . 1 . 2]" 1
2140 1 89 LEU QD 1 90 THR H . . 5.660 2.267 1.997 2.604 . 0 0 "[ . 1 . 2]" 1
2141 1 89 LEU QD 1 91 MET HA . . 7.480 5.086 4.855 5.246 . 0 0 "[ . 1 . 2]" 1
2142 1 89 LEU QD 1 93 GLN H . . 6.460 4.306 4.171 4.516 . 0 0 "[ . 1 . 2]" 1
2143 1 89 LEU QD 1 93 GLN HB2 . . 5.640 2.742 2.477 3.228 . 0 0 "[ . 1 . 2]" 1
2144 1 89 LEU QD 1 93 GLN HB3 . . 5.580 2.231 2.052 2.493 . 0 0 "[ . 1 . 2]" 1
2145 1 89 LEU QD 1 93 GLN QG . . 7.170 3.175 2.201 3.786 . 0 0 "[ . 1 . 2]" 1
2146 1 89 LEU QD 1 94 LEU H . . 5.530 3.212 3.012 3.451 . 0 0 "[ . 1 . 2]" 1
2147 1 89 LEU QD 1 94 LEU HA . . 5.270 2.519 2.305 2.851 . 0 0 "[ . 1 . 2]" 1
2148 1 89 LEU QD 1 94 LEU HB2 . . 5.640 2.238 2.118 2.497 . 0 0 "[ . 1 . 2]" 1
2149 1 89 LEU QD 1 94 LEU HB3 . . 6.000 3.641 3.529 3.895 . 0 0 "[ . 1 . 2]" 1
2150 1 89 LEU QD 1 95 TYR H . . 7.380 4.898 4.720 5.143 . 0 0 "[ . 1 . 2]" 1
2151 1 89 LEU QD 1 97 LYS HD2 . . 6.600 3.499 2.795 4.039 . 0 0 "[ . 1 . 2]" 1
2152 1 89 LEU QD 1 97 LYS HD3 . . 7.540 4.727 4.152 5.255 . 0 0 "[ . 1 . 2]" 1
2153 1 89 LEU QD 1 97 LYS HG3 . . 7.170 3.626 3.309 4.039 . 0 0 "[ . 1 . 2]" 1
2154 1 89 LEU QD 1 97 LYS QB . . 7.190 4.204 3.985 4.490 . 0 0 "[ . 1 . 2]" 1
2155 1 89 LEU QD 1 97 LYS QE . . 6.920 3.634 2.935 4.523 . 0 0 "[ . 1 . 2]" 1
2156 1 89 LEU QD 1 98 GLU HG3 . . 7.040 4.223 3.802 4.637 . 0 0 "[ . 1 . 2]" 1
2157 1 90 THR H 1 90 THR MG . . 4.150 3.104 2.428 3.824 . 0 0 "[ . 1 . 2]" 1
2158 1 90 THR H 1 93 GLN H . . 4.290 4.099 3.865 4.338 0.048 3 0 "[ . 1 . 2]" 1
2159 1 90 THR H 1 93 GLN HB2 . . 3.220 2.799 2.438 3.263 0.043 7 0 "[ . 1 . 2]" 1
2160 1 90 THR H 1 93 GLN HB3 . . 4.150 3.851 3.042 4.210 0.060 14 0 "[ . 1 . 2]" 1
2161 1 90 THR H 1 93 GLN QG . . 5.340 3.922 3.238 4.735 . 0 0 "[ . 1 . 2]" 1
2162 1 90 THR H 1 94 LEU H . . 4.300 4.140 3.887 4.301 0.001 3 0 "[ . 1 . 2]" 1
2163 1 90 THR H 1 94 LEU HB3 . . 5.470 5.529 5.518 5.537 0.067 4 0 "[ . 1 . 2]" 1
2164 1 90 THR HA 1 91 MET H . . 3.460 2.315 2.224 2.387 . 0 0 "[ . 1 . 2]" 1
2165 1 90 THR HB 1 91 MET H . . 4.050 3.100 2.458 3.858 . 0 0 "[ . 1 . 2]" 1
2166 1 90 THR HB 1 92 GLY H . . 3.820 3.156 2.637 3.760 . 0 0 "[ . 1 . 2]" 1
2167 1 90 THR HB 1 93 GLN H . . 4.410 3.061 2.283 3.877 . 0 0 "[ . 1 . 2]" 1
2168 1 90 THR MG 1 91 MET H . . 5.340 3.088 2.210 3.905 . 0 0 "[ . 1 . 2]" 1
2169 1 90 THR MG 1 92 GLY H . . 6.060 3.852 2.586 4.821 . 0 0 "[ . 1 . 2]" 1
2170 1 90 THR MG 1 93 GLN H . . 5.320 4.194 3.581 4.711 . 0 0 "[ . 1 . 2]" 1
2171 1 90 THR MG 1 93 GLN HB2 . . 5.220 4.315 3.982 4.545 . 0 0 "[ . 1 . 2]" 1
2172 1 90 THR MG 1 93 GLN HB3 . . 5.700 5.571 4.995 5.778 0.078 2 0 "[ . 1 . 2]" 1
2173 1 90 THR MG 1 93 GLN QG . . 6.480 4.354 3.560 5.499 . 0 0 "[ . 1 . 2]" 1
2174 1 90 THR MG 1 94 LEU H . . 6.160 5.431 4.991 5.740 . 0 0 "[ . 1 . 2]" 1
2175 1 91 MET H 1 91 MET HB2 . . 3.430 2.255 2.215 2.373 . 0 0 "[ . 1 . 2]" 1
2176 1 91 MET H 1 91 MET HB3 . . 3.670 3.543 3.508 3.627 . 0 0 "[ . 1 . 2]" 1
2177 1 91 MET H 1 91 MET HG2 . . 3.500 2.716 2.494 2.969 . 0 0 "[ . 1 . 2]" 1
2178 1 91 MET H 1 92 GLY H . . 3.680 2.874 2.746 3.060 . 0 0 "[ . 1 . 2]" 1
2179 1 91 MET H 1 92 GLY HA3 . . 5.200 5.131 4.988 5.253 0.053 19 0 "[ . 1 . 2]" 1
2180 1 91 MET H 1 94 LEU QD . . 7.540 5.329 5.073 5.619 . 0 0 "[ . 1 . 2]" 1
2181 1 91 MET HA 1 105 LEU MD2 . . 6.520 5.237 4.929 5.660 . 0 0 "[ . 1 . 2]" 1
2182 1 91 MET HA 1 91 MET HG2 . . 3.780 2.879 2.659 2.995 . 0 0 "[ . 1 . 2]" 1
2183 1 91 MET HA 1 91 MET ME . . 5.220 2.269 1.979 2.800 . 0 0 "[ . 1 . 2]" 1
2184 1 91 MET HA 1 93 GLN H . . 4.420 4.466 4.327 4.488 0.068 18 0 "[ . 1 . 2]" 1
2185 1 91 MET HA 1 94 LEU H . . 3.870 3.596 3.373 3.879 0.009 5 0 "[ . 1 . 2]" 1
2186 1 91 MET HA 1 94 LEU HB2 . . 4.720 3.948 3.557 4.502 . 0 0 "[ . 1 . 2]" 1
2187 1 91 MET HA 1 94 LEU HB3 . . 4.130 2.668 2.303 3.092 . 0 0 "[ . 1 . 2]" 1
2188 1 91 MET HA 1 94 LEU MD1 . . 6.070 4.205 3.654 5.214 . 0 0 "[ . 1 . 2]" 1
2189 1 91 MET HA 1 94 LEU MD2 . . 6.070 3.657 3.110 4.119 . 0 0 "[ . 1 . 2]" 1
2190 1 91 MET HA 1 94 LEU QD . . 5.710 3.412 3.053 3.742 . 0 0 "[ . 1 . 2]" 1
2191 1 91 MET HA 1 95 TYR H . . 4.260 3.803 3.554 4.059 . 0 0 "[ . 1 . 2]" 1
2192 1 91 MET HB2 1 92 GLY H . . 3.860 2.810 2.669 3.030 . 0 0 "[ . 1 . 2]" 1
2193 1 91 MET HB2 1 93 GLN H . . 5.500 5.299 5.153 5.475 . 0 0 "[ . 1 . 2]" 1
2194 1 91 MET HB3 1 92 GLY H . . 4.200 3.360 3.218 3.579 . 0 0 "[ . 1 . 2]" 1
2195 1 91 MET HB3 1 94 LEU QD . . 6.160 4.842 4.249 5.369 . 0 0 "[ . 1 . 2]" 1
2196 1 91 MET HG2 1 92 GLY H . . 4.920 4.794 4.631 4.968 0.048 4 0 "[ . 1 . 2]" 1
2197 1 91 MET HG2 1 94 LEU QD . . 6.510 4.863 4.476 5.425 . 0 0 "[ . 1 . 2]" 1
2198 1 91 MET HG3 1 94 LEU QD . . 7.520 5.369 4.960 5.918 . 0 0 "[ . 1 . 2]" 1
2199 1 91 MET ME 1 94 LEU MD1 . . 6.530 3.022 2.128 5.606 . 0 0 "[ . 1 . 2]" 1
2200 1 91 MET ME 1 94 LEU MD2 . . 6.530 2.867 1.988 3.636 . 0 0 "[ . 1 . 2]" 1
2201 1 91 MET ME 1 94 LEU QD . . 6.280 2.498 1.924 3.480 . 0 0 "[ . 1 . 2]" 1
2202 1 92 GLY H 1 93 GLN H . . 3.510 2.843 2.739 3.021 . 0 0 "[ . 1 . 2]" 1
2203 1 92 GLY H 1 94 LEU H . . 4.770 4.418 4.281 4.502 . 0 0 "[ . 1 . 2]" 1
2204 1 92 GLY HA2 1 94 LEU H . . 5.350 4.791 4.657 4.911 . 0 0 "[ . 1 . 2]" 1
2205 1 92 GLY HA2 1 95 TYR H . . 4.100 3.721 3.402 3.997 . 0 0 "[ . 1 . 2]" 1
2206 1 92 GLY HA2 1 95 TYR HB3 . . 4.200 2.695 2.179 3.135 . 0 0 "[ . 1 . 2]" 1
2207 1 93 GLN H 1 93 GLN HB2 . . 2.890 2.218 2.051 2.408 . 0 0 "[ . 1 . 2]" 1
2208 1 93 GLN H 1 93 GLN HB3 . . 3.430 3.402 2.839 3.496 0.066 3 0 "[ . 1 . 2]" 1
2209 1 93 GLN H 1 93 GLN QG . . 4.430 2.957 2.187 3.859 . 0 0 "[ . 1 . 2]" 1
2210 1 93 GLN H 1 94 LEU H . . 3.290 2.674 2.527 2.841 . 0 0 "[ . 1 . 2]" 1
2211 1 93 GLN H 1 94 LEU QD . . 7.220 5.523 5.276 5.693 . 0 0 "[ . 1 . 2]" 1
2212 1 93 GLN H 1 95 TYR H . . 4.440 4.112 3.842 4.374 . 0 0 "[ . 1 . 2]" 1
2213 1 93 GLN H 1 96 GLU H . . 4.730 4.758 4.658 4.792 0.062 11 0 "[ . 1 . 2]" 1
2214 1 93 GLN H 1 96 GLU QB . . 6.380 5.015 4.636 5.429 . 0 0 "[ . 1 . 2]" 1
2215 1 93 GLN HA 1 96 GLU QB . . 4.230 3.009 2.475 3.929 . 0 0 "[ . 1 . 2]" 1
2216 1 93 GLN HA 1 96 GLU QG . . 5.310 4.351 2.208 5.352 0.042 2 0 "[ . 1 . 2]" 1
2217 1 93 GLN HB2 1 94 LEU H . . 3.360 2.707 2.273 3.412 0.052 7 0 "[ . 1 . 2]" 1
2218 1 93 GLN HB2 1 95 TYR H . . 5.500 5.154 4.794 5.550 0.050 13 0 "[ . 1 . 2]" 1
2219 1 93 GLN HB3 1 94 LEU H . . 3.230 3.039 2.344 3.292 0.062 11 0 "[ . 1 . 2]" 1
2220 1 93 GLN HB3 1 97 LYS HG2 . . 4.440 4.224 3.653 4.500 0.060 2 0 "[ . 1 . 2]" 1
2221 1 94 LEU H 1 94 LEU HB2 . . 3.560 2.510 2.394 2.631 . 0 0 "[ . 1 . 2]" 1
2222 1 94 LEU H 1 94 LEU HB3 . . 3.280 2.420 2.305 2.550 . 0 0 "[ . 1 . 2]" 1
2223 1 94 LEU H 1 94 LEU HG . . 5.180 4.420 4.353 4.475 . 0 0 "[ . 1 . 2]" 1
2224 1 94 LEU H 1 94 LEU MD1 . . 5.490 4.255 4.027 4.350 . 0 0 "[ . 1 . 2]" 1
2225 1 94 LEU H 1 94 LEU MD2 . . 5.490 4.174 4.011 4.320 . 0 0 "[ . 1 . 2]" 1
2226 1 94 LEU H 1 95 TYR H . . 3.310 2.778 2.637 2.910 . 0 0 "[ . 1 . 2]" 1
2227 1 94 LEU H 1 96 GLU H . . 4.460 4.419 4.199 4.523 0.063 1 0 "[ . 1 . 2]" 1
2228 1 94 LEU H 1 97 LYS HG2 . . 5.100 4.942 4.652 5.152 0.052 17 0 "[ . 1 . 2]" 1
2229 1 94 LEU HA 1 94 LEU HG . . 4.180 2.455 2.335 2.678 . 0 0 "[ . 1 . 2]" 1
2230 1 94 LEU HA 1 97 LYS H . . 3.940 3.562 3.395 3.730 . 0 0 "[ . 1 . 2]" 1
2231 1 94 LEU HA 1 97 LYS HG2 . . 3.770 2.848 2.566 3.134 . 0 0 "[ . 1 . 2]" 1
2232 1 94 LEU HA 1 97 LYS QB . . 4.880 4.111 3.811 4.375 . 0 0 "[ . 1 . 2]" 1
2233 1 94 LEU HA 1 98 GLU H . . 4.520 3.823 3.640 4.000 . 0 0 "[ . 1 . 2]" 1
2234 1 94 LEU HA 1 98 GLU HG3 . . 4.010 3.062 2.940 3.217 . 0 0 "[ . 1 . 2]" 1
2235 1 94 LEU HB2 1 95 TYR H . . 4.220 3.976 3.840 4.118 . 0 0 "[ . 1 . 2]" 1
2236 1 94 LEU HB2 1 97 LYS HG3 . . 4.860 4.621 4.417 4.847 . 0 0 "[ . 1 . 2]" 1
2237 1 94 LEU HB2 1 98 GLU HG3 . . 4.630 4.670 4.604 4.694 0.064 16 0 "[ . 1 . 2]" 1
2238 1 94 LEU HB3 1 95 TYR H . . 3.650 2.741 2.543 2.997 . 0 0 "[ . 1 . 2]" 1
2239 1 94 LEU HB3 1 95 TYR HA . . 5.500 4.576 4.466 4.726 . 0 0 "[ . 1 . 2]" 1
2240 1 94 LEU HG 1 105 LEU MD2 . . 4.540 4.145 2.748 4.605 0.065 4 0 "[ . 1 . 2]" 1
2241 1 94 LEU HG 1 95 TYR H . . 4.600 4.383 3.959 4.603 0.003 1 0 "[ . 1 . 2]" 1
2242 1 94 LEU HG 1 98 GLU HG3 . . 4.190 2.469 2.192 2.696 . 0 0 "[ . 1 . 2]" 1
2243 1 94 LEU MD1 1 105 LEU MD2 . . 5.360 3.572 3.252 3.885 . 0 0 "[ . 1 . 2]" 1
2244 1 94 LEU MD2 1 105 LEU MD2 . . 5.360 2.038 1.851 2.242 . 0 0 "[ . 1 . 2]" 1
2245 1 94 LEU QD 1 105 LEU MD1 . . 7.070 2.367 1.948 3.703 . 0 0 "[ . 1 . 2]" 1
2246 1 94 LEU QD 1 105 LEU MD2 . . 5.980 2.027 1.845 2.227 . 0 0 "[ . 1 . 2]" 1
2247 1 94 LEU QD 1 95 TYR H . . 5.970 3.133 2.732 4.072 . 0 0 "[ . 1 . 2]" 1
2248 1 94 LEU QD 1 95 TYR HB3 . . 6.460 4.545 4.204 5.624 . 0 0 "[ . 1 . 2]" 1
2249 1 94 LEU QD 1 97 LYS H . . 7.540 4.904 4.648 5.161 . 0 0 "[ . 1 . 2]" 1
2250 1 94 LEU QD 1 97 LYS HG3 . . 7.540 4.118 3.241 4.367 . 0 0 "[ . 1 . 2]" 1
2251 1 94 LEU QD 1 97 LYS QB . . 8.420 5.433 4.656 5.669 . 0 0 "[ . 1 . 2]" 1
2252 1 94 LEU QD 1 98 GLU H . . 6.830 3.987 3.606 4.490 . 0 0 "[ . 1 . 2]" 1
2253 1 94 LEU QD 1 98 GLU HG2 . . 7.000 4.143 3.726 4.349 . 0 0 "[ . 1 . 2]" 1
2254 1 94 LEU QD 1 98 GLU HG3 . . 6.350 3.118 2.758 3.340 . 0 0 "[ . 1 . 2]" 1
2255 1 94 LEU QD 1 98 GLU QB . . 7.170 2.823 2.296 3.464 . 0 0 "[ . 1 . 2]" 1
2256 1 95 TYR H 1 105 LEU MD2 . . 5.450 4.765 4.181 5.346 . 0 0 "[ . 1 . 2]" 1
2257 1 95 TYR H 1 95 TYR HB2 . . 3.220 2.638 2.423 2.846 . 0 0 "[ . 1 . 2]" 1
2258 1 95 TYR H 1 95 TYR HB3 . . 3.190 2.347 2.157 2.446 . 0 0 "[ . 1 . 2]" 1
2259 1 95 TYR H 1 96 GLU H . . 3.400 2.804 2.659 2.918 . 0 0 "[ . 1 . 2]" 1
2260 1 95 TYR H 1 97 LYS H . . 4.540 4.129 3.901 4.425 . 0 0 "[ . 1 . 2]" 1
2261 1 95 TYR H 1 98 GLU H . . 4.530 4.602 4.594 4.609 0.079 17 0 "[ . 1 . 2]" 1
2262 1 95 TYR HA 1 105 LEU HB2 . . 4.570 3.968 3.615 4.618 0.048 13 0 "[ . 1 . 2]" 1
2263 1 95 TYR HA 1 105 LEU HG . . 5.500 5.548 5.315 5.569 0.069 3 0 "[ . 1 . 2]" 1
2264 1 95 TYR HA 1 105 LEU MD1 . . 4.810 2.712 2.336 4.007 . 0 0 "[ . 1 . 2]" 1
2265 1 95 TYR HA 1 105 LEU MD2 . . 4.800 3.572 2.523 4.267 . 0 0 "[ . 1 . 2]" 1
2266 1 95 TYR HA 1 98 GLU H . . 3.920 3.583 3.278 3.780 . 0 0 "[ . 1 . 2]" 1
2267 1 95 TYR HA 1 99 LYS H . . 4.320 4.011 3.781 4.261 . 0 0 "[ . 1 . 2]" 1
2268 1 95 TYR HA 1 99 LYS QB . . 5.840 4.534 4.038 4.842 . 0 0 "[ . 1 . 2]" 1
2269 1 95 TYR HB2 1 105 LEU MD2 . . 5.250 4.069 3.555 4.649 . 0 0 "[ . 1 . 2]" 1
2270 1 95 TYR HB2 1 96 GLU H . . 4.120 3.870 3.770 4.056 . 0 0 "[ . 1 . 2]" 1
2271 1 95 TYR HB3 1 105 LEU MD2 . . 5.890 5.431 4.866 5.957 0.067 5 0 "[ . 1 . 2]" 1
2272 1 95 TYR HB3 1 96 GLU H . . 3.410 2.445 2.332 2.686 . 0 0 "[ . 1 . 2]" 1
2273 1 95 TYR HB3 1 96 GLU QG . . 5.600 4.760 3.117 5.668 0.068 10 0 "[ . 1 . 2]" 1
2274 1 96 GLU H 1 96 GLU QB . . 3.740 2.232 2.099 2.445 . 0 0 "[ . 1 . 2]" 1
2275 1 96 GLU H 1 96 GLU QG . . 4.220 3.266 2.166 3.979 . 0 0 "[ . 1 . 2]" 1
2276 1 96 GLU H 1 97 LYS H . . 3.260 2.834 2.651 2.993 . 0 0 "[ . 1 . 2]" 1
2277 1 96 GLU H 1 98 GLU H . . 4.650 4.286 4.111 4.512 . 0 0 "[ . 1 . 2]" 1
2278 1 96 GLU H 1 99 LYS QE . . 6.380 5.642 4.083 6.465 0.085 12 0 "[ . 1 . 2]" 1
2279 1 96 GLU HA 1 99 LYS H . . 3.940 3.861 3.557 4.002 0.062 18 0 "[ . 1 . 2]" 1
2280 1 96 GLU HA 1 99 LYS QB . . 5.340 3.021 2.317 3.803 . 0 0 "[ . 1 . 2]" 1
2281 1 96 GLU HA 1 99 LYS QD . . 5.200 4.107 2.110 5.155 . 0 0 "[ . 1 . 2]" 1
2282 1 96 GLU HA 1 99 LYS QE . . 4.720 3.233 1.938 4.171 . 0 0 "[ . 1 . 2]" 1
2283 1 96 GLU QB 1 97 LYS H . . 4.020 2.904 2.537 3.723 . 0 0 "[ . 1 . 2]" 1
2284 1 96 GLU QB 1 97 LYS HA . . 5.430 4.216 3.853 4.683 . 0 0 "[ . 1 . 2]" 1
2285 1 96 GLU QB 1 99 LYS QG . . 6.620 5.142 4.236 6.434 . 0 0 "[ . 1 . 2]" 1
2286 1 96 GLU QG 1 97 LYS H . . 5.350 4.025 2.405 4.502 . 0 0 "[ . 1 . 2]" 1
2287 1 96 GLU QG 1 99 LYS QE . . 6.120 3.996 2.603 5.861 . 0 0 "[ . 1 . 2]" 1
2288 1 97 LYS H 1 97 LYS HD3 . . 4.850 4.474 4.339 4.611 . 0 0 "[ . 1 . 2]" 1
2289 1 97 LYS H 1 97 LYS HG2 . . 4.470 3.477 3.083 3.732 . 0 0 "[ . 1 . 2]" 1
2290 1 97 LYS H 1 97 LYS HG3 . . 3.610 2.484 2.315 2.699 . 0 0 "[ . 1 . 2]" 1
2291 1 97 LYS H 1 97 LYS QB . . 3.670 2.567 2.297 2.723 . 0 0 "[ . 1 . 2]" 1
2292 1 97 LYS H 1 98 GLU H . . 3.080 2.545 2.391 2.818 . 0 0 "[ . 1 . 2]" 1
2293 1 97 LYS H 1 99 LYS H . . 4.060 3.971 3.735 4.122 0.062 4 0 "[ . 1 . 2]" 1
2294 1 97 LYS HA 1 97 LYS HD2 . . 5.290 5.139 5.051 5.269 . 0 0 "[ . 1 . 2]" 1
2295 1 97 LYS HA 1 97 LYS HD3 . . 4.140 3.886 3.760 4.073 . 0 0 "[ . 1 . 2]" 1
2296 1 97 LYS HA 1 97 LYS HG2 . . 4.250 4.229 4.176 4.259 0.009 17 0 "[ . 1 . 2]" 1
2297 1 97 LYS HA 1 97 LYS HG3 . . 3.610 3.659 3.607 3.673 0.063 12 0 "[ . 1 . 2]" 1
2298 1 97 LYS HD2 1 98 GLU H . . 5.190 4.130 3.713 4.558 . 0 0 "[ . 1 . 2]" 1
2299 1 97 LYS HD2 1 98 GLU QB . . 5.850 4.230 4.038 4.639 . 0 0 "[ . 1 . 2]" 1
2300 1 97 LYS HD3 1 98 GLU H . . 5.450 3.601 3.039 3.966 . 0 0 "[ . 1 . 2]" 1
2301 1 97 LYS HD3 1 98 GLU HA . . 4.000 3.340 2.873 3.787 . 0 0 "[ . 1 . 2]" 1
2302 1 97 LYS HD3 1 98 GLU QB . . 5.890 4.070 3.810 4.296 . 0 0 "[ . 1 . 2]" 1
2303 1 97 LYS HG2 1 98 GLU HG2 . . 4.480 4.530 4.420 4.545 0.065 14 0 "[ . 1 . 2]" 1
2304 1 97 LYS HG2 1 98 GLU HG3 . . 4.100 3.806 3.596 4.133 0.033 11 0 "[ . 1 . 2]" 1
2305 1 97 LYS HG3 1 98 GLU H . . 3.300 2.577 2.285 2.827 . 0 0 "[ . 1 . 2]" 1
2306 1 97 LYS HG3 1 98 GLU HG2 . . 3.740 3.455 3.276 3.631 . 0 0 "[ . 1 . 2]" 1
2307 1 97 LYS HG3 1 98 GLU HG3 . . 3.930 2.473 2.209 2.816 . 0 0 "[ . 1 . 2]" 1
2308 1 97 LYS QB 1 98 GLU H . . 4.520 3.790 3.677 3.881 . 0 0 "[ . 1 . 2]" 1
2309 1 97 LYS QB 1 98 GLU HG2 . . 5.030 4.460 4.009 4.841 . 0 0 "[ . 1 . 2]" 1
2310 1 97 LYS QB 1 98 GLU HG3 . . 6.010 4.361 4.149 4.633 . 0 0 "[ . 1 . 2]" 1
2311 1 97 LYS QB 1 99 LYS H . . 6.160 5.113 4.903 5.400 . 0 0 "[ . 1 . 2]" 1
2312 1 98 GLU H 1 105 LEU MD1 . . 6.010 3.979 3.800 4.212 . 0 0 "[ . 1 . 2]" 1
2313 1 98 GLU H 1 98 GLU HB2 . . 4.190 2.613 2.487 2.747 . 0 0 "[ . 1 . 2]" 1
2314 1 98 GLU H 1 98 GLU HB3 . . 4.190 3.726 3.650 3.805 . 0 0 "[ . 1 . 2]" 1
2315 1 98 GLU H 1 98 GLU HG2 . . 4.420 3.447 3.232 3.615 . 0 0 "[ . 1 . 2]" 1
2316 1 98 GLU H 1 98 GLU HG3 . . 3.430 2.698 2.513 2.892 . 0 0 "[ . 1 . 2]" 1
2317 1 98 GLU H 1 99 LYS H . . 3.140 2.414 2.297 2.702 . 0 0 "[ . 1 . 2]" 1
2318 1 98 GLU HA 1 98 GLU HG2 . . 3.990 2.453 2.331 2.684 . 0 0 "[ . 1 . 2]" 1
2319 1 98 GLU HB2 1 105 LEU MD1 . . 4.740 2.209 2.025 2.381 . 0 0 "[ . 1 . 2]" 1
2320 1 98 GLU HB3 1 105 LEU MD1 . . 4.740 2.696 2.268 3.313 . 0 0 "[ . 1 . 2]" 1
2321 1 98 GLU HG2 1 105 LEU MD1 . . 6.490 4.458 4.217 4.870 . 0 0 "[ . 1 . 2]" 1
2322 1 98 GLU HG3 1 105 LEU MD1 . . 5.290 3.927 3.582 4.341 . 0 0 "[ . 1 . 2]" 1
2323 1 98 GLU QB 1 105 LEU MD1 . . 5.100 2.104 1.930 2.331 . 0 0 "[ . 1 . 2]" 1
2324 1 98 GLU QB 1 99 LYS H . . 5.120 3.500 3.245 3.724 . 0 0 "[ . 1 . 2]" 1
2325 1 99 LYS H 1 100 ASP H . . 4.840 4.523 4.421 4.629 . 0 0 "[ . 1 . 2]" 1
2326 1 99 LYS H 1 105 LEU MD1 . . 6.340 4.108 3.439 4.591 . 0 0 "[ . 1 . 2]" 1
2327 1 99 LYS H 1 99 LYS QD . . 5.780 4.474 3.615 4.909 . 0 0 "[ . 1 . 2]" 1
2328 1 99 LYS H 1 99 LYS QE . . 5.080 4.281 3.621 4.712 . 0 0 "[ . 1 . 2]" 1
2329 1 99 LYS H 1 99 LYS QG . . 4.930 3.138 2.038 3.919 . 0 0 "[ . 1 . 2]" 1
2330 1 99 LYS HA 1 100 ASP H . . 3.190 2.143 2.033 2.290 . 0 0 "[ . 1 . 2]" 1
2331 1 99 LYS HA 1 105 LEU MD1 . . 4.900 3.508 2.492 4.137 . 0 0 "[ . 1 . 2]" 1
2332 1 99 LYS QB 1 103 GLY H . . 5.720 4.681 3.771 5.581 . 0 0 "[ . 1 . 2]" 1
2333 1 99 LYS QG 1 100 ASP H . . 5.990 3.583 2.586 4.656 . 0 0 "[ . 1 . 2]" 1
2334 1 100 ASP H 1 100 ASP HB2 . . 3.550 2.456 2.182 2.653 . 0 0 "[ . 1 . 2]" 1
2335 1 100 ASP H 1 100 ASP HB3 . . 3.550 2.687 2.302 3.546 . 0 0 "[ . 1 . 2]" 1
2336 1 100 ASP H 1 102 ASP H . . 4.860 4.744 4.286 4.921 0.061 13 0 "[ . 1 . 2]" 1
2337 1 100 ASP H 1 103 GLY H . . 4.210 3.846 3.516 4.263 0.053 14 0 "[ . 1 . 2]" 1
2338 1 100 ASP H 1 104 PHE H . . 4.440 3.288 2.856 4.131 . 0 0 "[ . 1 . 2]" 1
2339 1 100 ASP H 1 105 LEU HA . . 5.040 4.073 3.270 4.716 . 0 0 "[ . 1 . 2]" 1
2340 1 100 ASP H 1 105 LEU HB2 . . 5.220 5.115 4.355 5.284 0.064 6 0 "[ . 1 . 2]" 1
2341 1 100 ASP H 1 105 LEU MD1 . . 5.320 4.052 2.787 4.592 . 0 0 "[ . 1 . 2]" 1
2342 1 100 ASP HA 1 101 GLU H . . 3.250 2.569 2.377 2.797 . 0 0 "[ . 1 . 2]" 1
2343 1 100 ASP HA 1 102 ASP H . . 4.690 4.321 4.049 4.533 . 0 0 "[ . 1 . 2]" 1
2344 1 100 ASP HB2 1 101 GLU H . . 4.470 3.880 3.745 4.160 . 0 0 "[ . 1 . 2]" 1
2345 1 100 ASP HB2 1 102 ASP H . . 4.530 4.220 3.237 4.580 0.050 8 0 "[ . 1 . 2]" 1
2346 1 100 ASP HB2 1 104 PHE H . . 4.470 3.783 2.553 4.361 . 0 0 "[ . 1 . 2]" 1
2347 1 100 ASP HB3 1 101 GLU H . . 4.470 3.258 2.357 3.755 . 0 0 "[ . 1 . 2]" 1
2348 1 100 ASP HB3 1 102 ASP H . . 4.530 2.861 2.569 3.138 . 0 0 "[ . 1 . 2]" 1
2349 1 100 ASP HB3 1 104 PHE H . . 4.470 2.838 1.967 4.470 0.000 15 0 "[ . 1 . 2]" 1
2350 1 100 ASP QB 1 101 GLU H . . 4.770 3.066 2.334 3.387 . 0 0 "[ . 1 . 2]" 1
2351 1 100 ASP QB 1 102 ASP H . . 4.560 2.812 2.491 3.075 . 0 0 "[ . 1 . 2]" 1
2352 1 100 ASP QB 1 103 GLY H . . 4.780 3.278 2.173 3.910 . 0 0 "[ . 1 . 2]" 1
2353 1 100 ASP QB 1 104 PHE H . . 4.780 2.619 1.956 3.465 . 0 0 "[ . 1 . 2]" 1
2354 1 100 ASP QB 1 106 TYR QD . . 7.550 3.262 2.447 4.184 . 0 0 "[ . 1 . 2]" 1
2355 1 101 GLU H 1 101 GLU HG2 . . 3.660 2.367 2.051 3.211 . 0 0 "[ . 1 . 2]" 1
2356 1 101 GLU H 1 101 GLU HG3 . . 3.660 3.480 2.544 3.733 0.073 16 0 "[ . 1 . 2]" 1
2357 1 101 GLU H 1 101 GLU QG . . 4.080 2.322 2.019 3.034 . 0 0 "[ . 1 . 2]" 1
2358 1 101 GLU H 1 102 ASP H . . 3.790 2.737 2.586 2.846 . 0 0 "[ . 1 . 2]" 1
2359 1 101 GLU H 1 103 GLY H . . 4.640 4.216 3.989 4.477 . 0 0 "[ . 1 . 2]" 1
2360 1 101 GLU HA 1 103 GLY H . . 5.030 3.877 3.435 4.722 . 0 0 "[ . 1 . 2]" 1
2361 1 101 GLU HG2 1 102 ASP H . . 4.080 2.623 2.175 3.369 . 0 0 "[ . 1 . 2]" 1
2362 1 101 GLU HG3 1 102 ASP H . . 4.080 2.731 1.958 4.120 0.040 16 0 "[ . 1 . 2]" 1
2363 1 101 GLU QB 1 102 ASP H . . 5.050 3.547 3.374 3.730 . 0 0 "[ . 1 . 2]" 1
2364 1 101 GLU QG 1 102 ASP H . . 4.450 2.271 1.946 2.501 . 0 0 "[ . 1 . 2]" 1
2365 1 101 GLU QG 1 102 ASP QB . . 6.020 2.973 2.415 3.719 . 0 0 "[ . 1 . 2]" 1
2366 1 101 GLU QG 1 103 GLY H . . 5.620 4.391 4.186 4.611 . 0 0 "[ . 1 . 2]" 1
2367 1 102 ASP H 1 102 ASP HB2 . . 4.010 2.292 2.124 2.677 . 0 0 "[ . 1 . 2]" 1
2368 1 102 ASP H 1 102 ASP HB3 . . 4.010 3.259 2.676 3.748 . 0 0 "[ . 1 . 2]" 1
2369 1 102 ASP H 1 103 GLY H . . 3.520 2.598 2.311 2.829 . 0 0 "[ . 1 . 2]" 1
2370 1 102 ASP H 1 104 PHE H . . 4.610 3.793 3.593 4.191 . 0 0 "[ . 1 . 2]" 1
2371 1 103 GLY H 1 104 PHE H . . 3.570 2.773 2.273 3.059 . 0 0 "[ . 1 . 2]" 1
2372 1 104 PHE H 1 104 PHE HB2 . . 3.970 3.802 3.584 3.949 . 0 0 "[ . 1 . 2]" 1
2373 1 104 PHE H 1 104 PHE HB3 . . 3.970 2.843 2.378 3.132 . 0 0 "[ . 1 . 2]" 1
2374 1 104 PHE HZ 1 106 TYR HB3 . . 3.740 3.264 2.483 3.809 0.069 4 0 "[ . 1 . 2]" 1
2375 1 104 PHE QB 1 105 LEU H . . 5.270 2.544 2.219 3.332 . 0 0 "[ . 1 . 2]" 1
2376 1 104 PHE QD 1 105 LEU H . . 6.140 2.996 2.507 4.068 . 0 0 "[ . 1 . 2]" 1
2377 1 104 PHE QD 1 105 LEU HB2 . . 7.140 5.426 5.056 6.045 . 0 0 "[ . 1 . 2]" 1
2378 1 104 PHE QD 1 105 LEU HB3 . . 7.140 5.086 4.446 5.848 . 0 0 "[ . 1 . 2]" 1
2379 1 104 PHE QE 1 105 LEU H . . 6.510 4.819 4.362 5.593 . 0 0 "[ . 1 . 2]" 1
2380 1 104 PHE QE 1 106 TYR HB3 . . 5.950 2.335 2.049 2.714 . 0 0 "[ . 1 . 2]" 1
2381 1 105 LEU H 1 105 LEU HB2 . . 3.490 2.911 2.677 3.053 . 0 0 "[ . 1 . 2]" 1
2382 1 105 LEU H 1 105 LEU MD1 . . 5.490 4.347 4.007 4.495 . 0 0 "[ . 1 . 2]" 1
2383 1 105 LEU H 1 106 TYR H . . 5.200 4.422 4.289 4.546 . 0 0 "[ . 1 . 2]" 1
2384 1 105 LEU HA 1 106 TYR H . . 3.570 2.232 2.123 2.299 . 0 0 "[ . 1 . 2]" 1
2385 1 105 LEU HG 1 106 TYR H . . 4.350 2.658 2.224 2.994 . 0 0 "[ . 1 . 2]" 1
2386 1 105 LEU HG 1 106 TYR HA . . 4.830 4.403 3.942 4.894 0.064 13 0 "[ . 1 . 2]" 1
2387 1 105 LEU MD1 1 106 TYR H . . 4.610 3.237 2.090 3.827 . 0 0 "[ . 1 . 2]" 1
2388 1 105 LEU MD2 1 106 TYR H . . 6.120 4.199 3.654 4.541 . 0 0 "[ . 1 . 2]" 1
2389 1 106 TYR H 1 106 TYR HB3 . . 3.730 3.147 3.009 3.348 . 0 0 "[ . 1 . 2]" 1
2390 1 106 TYR HA 1 107 VAL H . . 3.350 2.215 2.152 2.286 . 0 0 "[ . 1 . 2]" 1
2391 1 106 TYR HA 1 107 VAL QG . . 6.920 3.641 3.454 3.928 . 0 0 "[ . 1 . 2]" 1
2392 1 106 TYR HB2 1 107 VAL H . . 4.300 3.506 3.153 3.861 . 0 0 "[ . 1 . 2]" 1
2393 1 107 VAL H 1 107 VAL HB . . 3.920 3.024 2.509 3.354 . 0 0 "[ . 1 . 2]" 1
2394 1 107 VAL H 1 108 ALA H . . 4.630 4.418 4.349 4.536 . 0 0 "[ . 1 . 2]" 1
2395 1 107 VAL HA 1 108 ALA H . . 3.290 2.222 2.105 2.339 . 0 0 "[ . 1 . 2]" 1
2396 1 107 VAL HA 1 108 ALA MB . . 4.920 3.916 3.864 4.045 . 0 0 "[ . 1 . 2]" 1
2397 1 107 VAL HB 1 108 ALA H . . 4.230 4.060 3.827 4.275 0.045 1 0 "[ . 1 . 2]" 1
2398 1 107 VAL HB 1 108 ALA MB . . 6.520 5.603 5.286 5.856 . 0 0 "[ . 1 . 2]" 1
2399 1 107 VAL MG1 1 108 ALA H . . 5.140 3.447 2.293 4.183 . 0 0 "[ . 1 . 2]" 1
2400 1 107 VAL MG2 1 108 ALA H . . 5.140 3.026 2.300 4.201 . 0 0 "[ . 1 . 2]" 1
2401 1 107 VAL QG 1 108 ALA H . . 5.340 2.441 2.277 2.674 . 0 0 "[ . 1 . 2]" 1
2402 1 107 VAL QG 1 108 ALA MB . . 7.330 3.859 3.740 3.967 . 0 0 "[ . 1 . 2]" 1
2403 1 108 ALA HA 1 109 TYR H . . 3.200 2.332 2.257 2.443 . 0 0 "[ . 1 . 2]" 1
2404 1 108 ALA MB 1 109 TYR H . . 4.520 2.761 2.518 2.976 . 0 0 "[ . 1 . 2]" 1
2405 1 109 TYR H 1 110 SER H . . 4.520 4.461 4.393 4.532 0.012 12 0 "[ . 1 . 2]" 1
2406 1 109 TYR HA 1 110 SER H . . 3.060 2.303 2.227 2.387 . 0 0 "[ . 1 . 2]" 1
2407 1 109 TYR HB2 1 110 SER H . . 3.470 2.659 2.443 2.927 . 0 0 "[ . 1 . 2]" 1
2408 1 109 TYR HB3 1 110 SER H . . 4.270 3.982 3.817 4.155 . 0 0 "[ . 1 . 2]" 1
2409 1 109 TYR QD 1 110 SER H . . 6.030 3.270 2.946 3.657 . 0 0 "[ . 1 . 2]" 1
2410 1 109 TYR QD 1 110 SER HA . . 6.950 3.523 3.040 4.244 . 0 0 "[ . 1 . 2]" 1
2411 1 109 TYR QE 1 110 SER HA . . 6.840 4.707 4.102 5.144 . 0 0 "[ . 1 . 2]" 1
2412 1 110 SER H 1 110 SER HB2 . . 4.150 3.667 2.851 3.976 . 0 0 "[ . 1 . 2]" 1
2413 1 110 SER H 1 110 SER HB3 . . 4.150 3.313 2.733 3.885 . 0 0 "[ . 1 . 2]" 1
2414 1 110 SER H 1 111 GLY H . . 4.490 4.351 4.286 4.426 . 0 0 "[ . 1 . 2]" 1
2415 1 110 SER HA 1 111 GLY H . . 3.450 2.380 2.265 2.512 . 0 0 "[ . 1 . 2]" 1
2416 1 110 SER HA 1 111 GLY HA2 . . 4.620 4.467 4.401 4.542 . 0 0 "[ . 1 . 2]" 1
2417 1 110 SER HB2 1 111 GLY H . . 4.110 2.980 2.265 3.965 . 0 0 "[ . 1 . 2]" 1
2418 1 110 SER HB2 1 112 GLU H . . 4.390 3.090 2.252 4.364 . 0 0 "[ . 1 . 2]" 1
2419 1 110 SER HB3 1 111 GLY H . . 4.110 3.636 2.700 3.905 . 0 0 "[ . 1 . 2]" 1
2420 1 110 SER QB 1 111 GLY H . . 4.380 2.739 2.245 3.443 . 0 0 "[ . 1 . 2]" 1
2421 1 110 SER QB 1 111 GLY HA3 . . 6.030 4.788 4.409 5.235 . 0 0 "[ . 1 . 2]" 1
2422 1 111 GLY H 1 112 GLU H . . 3.070 2.508 2.215 2.763 . 0 0 "[ . 1 . 2]" 1
2423 1 112 GLU H 1 112 GLU HB2 . . 4.000 3.010 2.515 3.918 . 0 0 "[ . 1 . 2]" 1
2424 1 112 GLU H 1 112 GLU HB3 . . 4.000 3.604 3.221 3.862 . 0 0 "[ . 1 . 2]" 1
2425 1 112 GLU H 1 112 GLU HG2 . . 4.350 3.306 2.263 4.236 . 0 0 "[ . 1 . 2]" 1
2426 1 112 GLU H 1 112 GLU HG3 . . 4.350 3.376 2.728 4.402 0.052 14 0 "[ . 1 . 2]" 1
2427 1 112 GLU H 1 112 GLU QG . . 4.570 2.789 2.226 3.435 . 0 0 "[ . 1 . 2]" 1
2428 1 112 GLU H 1 113 ASN H . . 4.150 4.195 4.057 4.220 0.070 20 0 "[ . 1 . 2]" 1
2429 1 112 GLU HA 1 112 GLU HG2 . . 3.970 3.009 2.300 3.810 . 0 0 "[ . 1 . 2]" 1
2430 1 112 GLU HA 1 112 GLU HG3 . . 3.970 3.543 2.939 3.949 . 0 0 "[ . 1 . 2]" 1
2431 1 112 GLU QB 1 113 ASN H . . 4.950 3.080 2.574 3.545 . 0 0 "[ . 1 . 2]" 1
2432 1 113 ASN H 1 113 ASN HB2 . . 4.070 3.164 2.497 3.691 . 0 0 "[ . 1 . 2]" 1
2433 1 113 ASN H 1 113 ASN HB3 . . 4.070 2.502 2.231 2.813 . 0 0 "[ . 1 . 2]" 1
2434 1 113 ASN H 1 114 THR H . . 4.630 2.594 2.315 3.005 . 0 0 "[ . 1 . 2]" 1
2435 1 113 ASN HB2 1 114 THR H . . 4.410 4.175 3.898 4.468 0.058 11 0 "[ . 1 . 2]" 1
2436 1 113 ASN HB3 1 114 THR H . . 4.410 3.579 2.521 4.450 0.040 13 0 "[ . 1 . 2]" 1
2437 1 113 ASN QB 1 114 THR H . . 4.620 3.313 2.492 3.960 . 0 0 "[ . 1 . 2]" 1
2438 1 113 ASN QB 1 114 THR MG . . 6.980 3.955 2.826 5.141 . 0 0 "[ . 1 . 2]" 1
2439 1 113 ASN QD 1 114 THR H . . 4.400 3.903 2.758 4.462 0.062 15 0 "[ . 1 . 2]" 1
2440 1 113 ASN QD 1 114 THR HA . . 5.280 4.333 3.103 5.242 . 0 0 "[ . 1 . 2]" 1
2441 1 113 ASN QD 1 114 THR MG . . 7.220 2.786 2.125 4.646 . 0 0 "[ . 1 . 2]" 1
2442 1 114 THR H 1 114 THR HB . . 3.590 3.446 2.748 3.652 0.062 8 0 "[ . 1 . 2]" 1
2443 1 114 THR H 1 115 PHE H . . 4.620 4.256 3.964 4.444 . 0 0 "[ . 1 . 2]" 1
2444 1 114 THR HA 1 115 PHE H . . 3.170 2.135 1.997 2.253 . 0 0 "[ . 1 . 2]" 1
2445 1 114 THR HB 1 115 PHE H . . 3.770 3.559 3.038 3.839 0.069 9 0 "[ . 1 . 2]" 1
2446 1 114 THR MG 1 115 PHE H . . 5.150 3.506 2.550 4.059 . 0 0 "[ . 1 . 2]" 1
2447 1 114 THR MG 1 115 PHE HA . . 5.570 5.345 4.186 5.640 0.070 8 0 "[ . 1 . 2]" 1
2448 1 114 THR MG 1 115 PHE QB . . 6.670 5.370 3.896 5.862 . 0 0 "[ . 1 . 2]" 1
2449 1 114 THR MG 1 115 PHE QD . . 8.650 5.234 4.520 6.733 . 0 0 "[ . 1 . 2]" 1
2450 1 115 PHE H 1 115 PHE HB2 . . 3.900 3.451 2.443 3.843 . 0 0 "[ . 1 . 2]" 1
2451 1 115 PHE H 1 115 PHE HB3 . . 3.900 3.115 2.519 3.661 . 0 0 "[ . 1 . 2]" 1
2452 1 115 PHE HA 1 116 GLY H . . 3.260 2.996 2.368 3.283 0.023 2 0 "[ . 1 . 2]" 1
2453 1 115 PHE HB2 1 116 GLY H . . 4.720 4.496 4.362 4.749 0.029 17 0 "[ . 1 . 2]" 1
2454 1 115 PHE HB3 1 116 GLY H . . 4.720 4.559 4.262 4.738 0.018 19 0 "[ . 1 . 2]" 1
2455 1 115 PHE QB 1 116 GLY H . . 5.020 4.030 3.889 4.174 . 0 0 "[ . 1 . 2]" 1
2456 2 3 MET HA 2 4 GLU H . . 3.490 2.775 2.309 3.390 . 0 0 "[ . 1 . 2]" 1
2457 2 4 GLU H 2 5 ILE H . . 4.300 3.318 2.614 3.701 . 0 0 "[ . 1 . 2]" 1
2458 2 4 GLU HA 2 5 ILE H . . 2.870 2.676 2.543 2.934 0.064 19 0 "[ . 1 . 2]" 1
2459 2 4 GLU HB2 2 5 ILE H . . 5.390 4.440 3.986 4.653 . 0 0 "[ . 1 . 2]" 1
2460 2 4 GLU HB3 2 5 ILE H . . 5.390 4.466 4.324 4.684 . 0 0 "[ . 1 . 2]" 1
2461 2 4 GLU QG 2 5 ILE H . . 5.460 4.520 4.139 4.932 . 0 0 "[ . 1 . 2]" 1
2462 2 5 ILE H 2 5 ILE HB . . 3.710 3.386 2.487 3.770 0.060 18 0 "[ . 1 . 2]" 1
2463 2 5 ILE H 2 5 ILE HG12 . . 3.930 2.492 1.880 3.987 0.057 4 0 "[ . 1 . 2]" 1
2464 2 5 ILE H 2 5 ILE HG13 . . 3.930 2.966 2.064 3.705 . 0 0 "[ . 1 . 2]" 1
2465 2 5 ILE H 2 5 ILE QG . . 4.310 2.156 1.867 2.609 . 0 0 "[ . 1 . 2]" 1
2466 2 5 ILE HA 2 6 ILE H . . 2.640 2.304 2.202 2.444 . 0 0 "[ . 1 . 2]" 1
2467 2 5 ILE HB 2 6 ILE H . . 3.470 2.918 2.371 3.538 0.068 10 0 "[ . 1 . 2]" 1
2468 2 5 ILE MG 2 6 ILE H . . 4.800 3.352 2.026 4.028 . 0 0 "[ . 1 . 2]" 1
2469 2 6 ILE H 2 6 ILE HB . . 3.610 3.025 2.242 3.669 0.059 18 0 "[ . 1 . 2]" 1
2470 2 6 ILE H 2 6 ILE HG12 . . 3.780 3.372 1.966 3.840 0.060 2 0 "[ . 1 . 2]" 1
2471 2 6 ILE H 2 6 ILE HG13 . . 3.780 2.514 1.966 3.445 . 0 0 "[ . 1 . 2]" 1
2472 2 6 ILE H 2 6 ILE MD . . 5.320 3.477 1.857 4.152 . 0 0 "[ . 1 . 2]" 1
2473 2 6 ILE H 2 6 ILE QG . . 4.190 2.315 1.904 2.938 . 0 0 "[ . 1 . 2]" 1
2474 2 6 ILE H 2 7 HIS H . . 4.200 2.508 1.944 2.985 . 0 0 "[ . 1 . 2]" 1
2475 2 8 GLU HA 2 9 ASP H . . 3.090 2.262 2.122 2.491 . 0 0 "[ . 1 . 2]" 1
2476 2 8 GLU HB2 2 9 ASP H . . 4.600 3.919 2.781 4.549 . 0 0 "[ . 1 . 2]" 1
2477 2 8 GLU HB3 2 9 ASP H . . 4.600 3.855 2.391 4.540 . 0 0 "[ . 1 . 2]" 1
2478 2 8 GLU QB 2 9 ASP H . . 4.820 3.312 2.365 4.040 . 0 0 "[ . 1 . 2]" 1
2479 2 8 GLU QG 2 9 ASP H . . 5.580 3.889 3.057 4.588 . 0 0 "[ . 1 . 2]" 1
2480 2 9 ASP H 2 9 ASP HB2 . . 3.680 2.584 2.104 3.666 . 0 0 "[ . 1 . 2]" 1
2481 2 9 ASP H 2 9 ASP HB3 . . 3.680 2.773 2.281 3.647 . 0 0 "[ . 1 . 2]" 1
2482 2 9 ASP H 2 10 ASN H . . 4.400 2.523 2.107 3.177 . 0 0 "[ . 1 . 2]" 1
2483 2 9 ASP QB 2 10 ASN H . . 5.180 2.720 2.125 3.823 . 0 0 "[ . 1 . 2]" 1
2484 2 11 GLU H 2 11 GLU HB2 . . 3.760 2.355 1.955 2.675 . 0 0 "[ . 1 . 2]" 1
2485 2 11 GLU H 2 11 GLU HB3 . . 3.760 3.001 2.382 3.607 . 0 0 "[ . 1 . 2]" 1
2486 2 11 GLU H 2 11 GLU QB . . 3.880 2.218 1.932 2.458 . 0 0 "[ . 1 . 2]" 1
2487 2 11 GLU QB 2 12 TRP H . . 4.900 2.447 2.093 2.779 . 0 0 "[ . 1 . 2]" 1
2488 2 11 GLU QG 2 12 TRP H . . 5.040 3.961 3.372 4.566 . 0 0 "[ . 1 . 2]" 1
2489 2 12 TRP H 2 12 TRP HB2 . . 4.180 3.575 3.485 3.757 . 0 0 "[ . 1 . 2]" 1
2490 2 12 TRP H 2 12 TRP HB3 . . 4.180 4.008 3.927 4.056 . 0 0 "[ . 1 . 2]" 1
2491 2 12 TRP H 2 12 TRP HD1 . . 4.700 4.425 4.110 4.693 . 0 0 "[ . 1 . 2]" 1
2492 2 12 TRP H 2 12 TRP HE3 . . 4.250 3.947 3.752 4.238 . 0 0 "[ . 1 . 2]" 1
2493 2 12 TRP H 2 13 GLY H . . 3.380 2.996 2.800 3.138 . 0 0 "[ . 1 . 2]" 1
2494 2 12 TRP HA 2 13 GLY H . . 3.230 2.568 2.400 2.719 . 0 0 "[ . 1 . 2]" 1
2495 2 12 TRP HE3 2 13 GLY H . . 5.290 4.603 4.135 4.861 . 0 0 "[ . 1 . 2]" 1
2496 2 13 GLY HA2 2 14 ILE H . . 3.230 2.253 2.169 2.318 . 0 0 "[ . 1 . 2]" 1
2497 2 13 GLY HA3 2 14 ILE H . . 3.230 3.151 3.030 3.265 0.035 17 0 "[ . 1 . 2]" 1
2498 2 14 ILE H 2 14 ILE HB . . 2.870 2.493 2.247 2.702 . 0 0 "[ . 1 . 2]" 1
2499 2 14 ILE H 2 14 ILE HG13 . . 3.460 2.250 2.090 2.494 . 0 0 "[ . 1 . 2]" 1
2500 2 14 ILE H 2 14 ILE MD . . 4.770 3.633 3.432 3.855 . 0 0 "[ . 1 . 2]" 1
2501 2 14 ILE HA 2 15 GLU H . . 2.950 2.211 2.116 2.311 . 0 0 "[ . 1 . 2]" 1
2502 2 14 ILE HA 2 15 GLU QB . . 5.200 4.044 3.847 4.475 . 0 0 "[ . 1 . 2]" 1
2503 2 14 ILE HB 2 15 GLU H . . 4.770 4.202 3.992 4.439 . 0 0 "[ . 1 . 2]" 1
2504 2 14 ILE HG12 2 15 GLU H . . 4.970 4.449 3.930 4.842 . 0 0 "[ . 1 . 2]" 1
2505 2 14 ILE MG 2 15 GLU H . . 4.410 2.638 2.405 2.975 . 0 0 "[ . 1 . 2]" 1
2506 2 14 ILE MG 2 15 GLU QB . . 6.610 4.357 4.191 4.629 . 0 0 "[ . 1 . 2]" 1
2507 2 15 GLU H 2 15 GLU QG . . 5.010 3.921 3.097 4.323 . 0 0 "[ . 1 . 2]" 1
2508 2 15 GLU H 2 16 LEU H . . 4.440 4.316 3.943 4.481 0.041 18 0 "[ . 1 . 2]" 1
2509 2 15 GLU H 2 16 LEU QD . . 7.240 5.099 3.611 6.211 . 0 0 "[ . 1 . 2]" 1
2510 2 15 GLU HA 2 16 LEU H . . 2.900 2.241 2.114 2.409 . 0 0 "[ . 1 . 2]" 1
2511 2 15 GLU QB 2 16 LEU H . . 4.590 3.460 2.628 3.942 . 0 0 "[ . 1 . 2]" 1
2512 2 15 GLU QB 2 16 LEU HA . . 5.630 4.621 4.198 4.934 . 0 0 "[ . 1 . 2]" 1
2513 2 15 GLU QG 2 16 LEU H . . 5.150 3.410 2.444 4.666 . 0 0 "[ . 1 . 2]" 1
2514 2 16 LEU H 2 16 LEU HG . . 4.370 3.815 2.386 4.439 0.069 8 0 "[ . 1 . 2]" 1
2515 2 16 LEU H 2 17 VAL H . . 4.820 4.382 4.241 4.503 . 0 0 "[ . 1 . 2]" 1
2516 2 16 LEU H 2 17 VAL QG . . 7.430 3.858 3.478 4.446 . 0 0 "[ . 1 . 2]" 1
2517 2 16 LEU HA 2 17 VAL H . . 2.930 2.202 2.114 2.262 . 0 0 "[ . 1 . 2]" 1
2518 2 16 LEU QB 2 17 VAL H . . 4.860 3.675 3.287 3.991 . 0 0 "[ . 1 . 2]" 1
2519 2 16 LEU QD 2 17 VAL H . . 6.140 3.453 2.157 4.266 . 0 0 "[ . 1 . 2]" 1
2520 2 17 VAL H 2 17 VAL HB . . 3.760 2.626 2.419 2.888 . 0 0 "[ . 1 . 2]" 1
2521 2 17 VAL H 2 18 SER H . . 4.500 4.303 3.953 4.494 . 0 0 "[ . 1 . 2]" 1
2522 2 17 VAL HA 2 18 SER H . . 2.980 2.184 2.018 2.304 . 0 0 "[ . 1 . 2]" 1
2523 2 17 VAL HB 2 18 SER H . . 4.350 4.305 3.882 4.417 0.067 14 0 "[ . 1 . 2]" 1
2524 2 17 VAL QG 2 18 SER H . . 5.640 2.862 2.330 3.180 . 0 0 "[ . 1 . 2]" 1
2525 2 18 SER HA 2 19 GLU H . . 2.840 2.313 2.047 2.565 . 0 0 "[ . 1 . 2]" 1
2526 2 18 SER HA 2 19 GLU HA . . 4.680 4.431 4.224 4.638 . 0 0 "[ . 1 . 2]" 1
2527 2 18 SER HA 2 19 GLU QB . . 6.220 4.183 3.895 4.722 . 0 0 "[ . 1 . 2]" 1
2528 2 18 SER QB 2 19 GLU H . . 4.000 2.755 2.347 3.525 . 0 0 "[ . 1 . 2]" 1
2529 2 18 SER QB 2 19 GLU QB . . 6.100 4.155 3.200 4.800 . 0 0 "[ . 1 . 2]" 1
2530 2 19 GLU H 2 19 GLU QB . . 3.900 2.852 2.183 3.398 . 0 0 "[ . 1 . 2]" 1
2531 2 19 GLU H 2 19 GLU QG . . 4.960 3.941 2.649 4.338 . 0 0 "[ . 1 . 2]" 1
2532 1 14 ARG HH11 2 12 TRP HE1 . . 6.000 5.990 5.553 6.070 0.070 20 0 "[ . 1 . 2]" 1
2533 1 48 LYS H 2 15 GLU H . . 4.000 3.702 3.399 3.919 . 0 0 "[ . 1 . 2]" 1
2534 1 49 TYR HA 2 16 LEU H . . 6.000 5.496 5.159 5.738 . 0 0 "[ . 1 . 2]" 1
2535 1 49 TYR H 2 14 ILE HA . . 6.000 5.448 5.190 5.730 . 0 0 "[ . 1 . 2]" 1
2536 1 4 MET H 2 12 TRP HZ2 . . 5.500 4.440 4.067 4.923 . 0 0 "[ . 1 . 2]" 1
2537 1 8 ASP HB2 2 12 TRP HE1 . . 4.000 3.943 3.654 4.079 0.079 10 0 "[ . 1 . 2]" 1
2538 1 8 ASP HB3 2 12 TRP HE1 . . 4.500 4.404 3.473 4.567 0.067 16 0 "[ . 1 . 2]" 1
2539 1 9 HIS HD1 2 12 TRP HE1 . . 5.500 4.297 3.805 5.528 0.028 1 0 "[ . 1 . 2]" 1
2540 1 17 GLU HG2 2 14 ILE MD . . 5.500 4.342 3.130 5.556 0.056 20 0 "[ . 1 . 2]" 1
2541 1 21 ILE HA 2 14 ILE MD . . 5.100 4.688 3.695 5.150 0.050 20 0 "[ . 1 . 2]" 1
2542 1 24 LYS QE 2 14 ILE MD . . 5.860 4.798 3.268 5.948 0.088 10 0 "[ . 1 . 2]" 1
2543 1 25 TYR HB3 2 16 LEU MD1 . . 5.100 4.654 3.419 5.159 0.059 12 0 "[ . 1 . 2]" 1
2544 1 25 TYR QD 2 14 ILE MD . . 5.100 5.109 4.416 5.193 0.093 15 0 "[ . 1 . 2]" 1
2545 1 28 ARG HD3 2 16 LEU MD2 . . 4.100 3.454 2.172 4.166 0.066 3 0 "[ . 1 . 2]" 1
2546 1 32 ILE HA 2 12 TRP HZ3 . . 4.500 4.273 3.973 4.552 0.052 13 0 "[ . 1 . 2]" 1
2547 1 49 TYR H 2 15 GLU H . . 5.000 4.887 4.722 5.044 0.044 20 0 "[ . 1 . 2]" 1
2548 1 50 LEU H 2 16 LEU H . . 5.000 4.867 4.677 5.035 0.035 19 0 "[ . 1 . 2]" 1
2549 1 51 VAL HA 2 17 VAL HB . . 4.000 3.947 3.346 4.062 0.062 3 0 "[ . 1 . 2]" 1
2550 1 52 PRO HG2 2 18 SER HB2 . . 4.000 4.000 3.746 4.067 0.067 10 0 "[ . 1 . 2]" 1
2551 1 52 PRO HG2 2 18 SER HB3 . . 3.500 3.536 3.446 3.570 0.070 15 0 "[ . 1 . 2]" 1
2552 1 52 PRO HG3 2 18 SER HB2 . . 4.800 2.724 2.408 2.918 . 0 0 "[ . 1 . 2]" 1
2553 1 52 PRO HG3 2 18 SER HB3 . . 3.900 2.280 2.125 2.464 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 107
_Distance_constraint_stats_list.Viol_count 432
_Distance_constraint_stats_list.Viol_total 362.097
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0188
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0419
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 TRP 0.640 0.071 16 0 "[ . 1 . 2]"
1 4 MET 0.507 0.053 13 0 "[ . 1 . 2]"
1 5 PHE 0.649 0.066 19 0 "[ . 1 . 2]"
1 7 GLU 0.640 0.071 16 0 "[ . 1 . 2]"
1 8 ASP 0.507 0.053 13 0 "[ . 1 . 2]"
1 9 HIS 0.649 0.066 19 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.677 0.066 1 0 "[ . 1 . 2]"
1 12 GLU 0.441 0.058 12 0 "[ . 1 . 2]"
1 13 HIS 0.296 0.053 15 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 1.739 0.066 1 0 "[ . 1 . 2]"
1 16 VAL 0.938 0.062 8 0 "[ . 1 . 2]"
1 17 GLU 0.296 0.053 15 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 1.574 0.062 8 0 "[ . 1 . 2]"
1 20 LYS 0.743 0.062 8 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.512 0.062 8 0 "[ . 1 . 2]"
1 24 LYS 0.245 0.051 16 0 "[ . 1 . 2]"
1 25 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.151 0.062 18 0 "[ . 1 . 2]"
1 29 VAL 1.830 0.078 3 0 "[ . 1 . 2]"
1 30 PRO 1.281 0.071 9 0 "[ . 1 . 2]"
1 31 VAL 0.573 0.065 10 0 "[ . 1 . 2]"
1 32 ILE 0.509 0.068 10 0 "[ . 1 . 2]"
1 34 GLU 2.028 0.073 17 0 "[ . 1 . 2]"
1 36 VAL 0.107 0.065 5 0 "[ . 1 . 2]"
1 46 LYS 0.922 0.066 15 0 "[ . 1 . 2]"
1 48 LYS 0.059 0.059 3 0 "[ . 1 . 2]"
1 49 TYR 0.573 0.065 10 0 "[ . 1 . 2]"
1 50 LEU 0.485 0.060 8 0 "[ . 1 . 2]"
1 51 VAL 1.830 0.078 3 0 "[ . 1 . 2]"
1 53 SER 0.425 0.062 18 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.506 0.058 12 0 "[ . 1 . 2]"
1 57 VAL 0.037 0.037 4 0 "[ . 1 . 2]"
1 58 ALA 0.639 0.074 10 0 "[ . 1 . 2]"
1 59 GLN 0.046 0.039 4 0 "[ . 1 . 2]"
1 60 PHE 0.595 0.058 12 0 "[ . 1 . 2]"
1 61 MET 0.340 0.056 14 0 "[ . 1 . 2]"
1 62 TRP 1.047 0.074 10 0 "[ . 1 . 2]"
1 63 ILE 0.046 0.039 4 0 "[ . 1 . 2]"
1 64 ILE 0.226 0.058 7 0 "[ . 1 . 2]"
1 65 ARG 0.340 0.056 14 0 "[ . 1 . 2]"
1 66 LYS 0.553 0.068 12 0 "[ . 1 . 2]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.137 0.058 7 0 "[ . 1 . 2]"
1 77 PHE 0.860 0.063 15 0 "[ . 1 . 2]"
1 79 PHE 0.035 0.022 11 0 "[ . 1 . 2]"
1 87 SER 0.144 0.059 15 0 "[ . 1 . 2]"
1 89 LEU 0.037 0.037 4 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLY 0.428 0.061 17 0 "[ . 1 . 2]"
1 93 GLN 0.083 0.038 15 0 "[ . 1 . 2]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 0.882 0.081 8 0 "[ . 1 . 2]"
1 96 GLU 0.154 0.042 4 0 "[ . 1 . 2]"
1 97 LYS 0.083 0.038 15 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LYS 0.882 0.081 8 0 "[ . 1 . 2]"
1 105 LEU 1.684 0.071 9 0 "[ . 1 . 2]"
1 107 VAL 1.611 0.073 17 0 "[ . 1 . 2]"
1 108 ALA 0.035 0.022 11 0 "[ . 1 . 2]"
1 109 TYR 0.629 0.065 5 0 "[ . 1 . 2]"
1 110 SER 0.860 0.063 15 0 "[ . 1 . 2]"
2 12 TRP 0.922 0.066 15 0 "[ . 1 . 2]"
2 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 GLU 0.357 0.060 8 0 "[ . 1 . 2]"
2 17 VAL 0.186 0.040 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 TRP O 1 7 GLU N . . 3.100 3.018 2.851 3.129 0.029 16 0 "[ . 1 . 2]" 2
2 1 3 TRP O 1 7 GLU H . . 2.100 2.102 1.963 2.171 0.071 16 0 "[ . 1 . 2]" 2
3 1 4 MET O 1 8 ASP N . . 3.100 3.042 2.857 3.153 0.053 13 0 "[ . 1 . 2]" 2
4 1 4 MET O 1 8 ASP H . . 2.100 2.046 1.871 2.151 0.051 3 0 "[ . 1 . 2]" 2
5 1 5 PHE O 1 9 HIS N . . 3.100 2.859 2.690 2.973 . 0 0 "[ . 1 . 2]" 2
6 1 5 PHE O 1 9 HIS H . . 2.100 2.096 1.881 2.166 0.066 19 0 "[ . 1 . 2]" 2
7 1 10 SER O 1 14 ARG N . . 3.100 2.770 2.690 2.934 . 0 0 "[ . 1 . 2]" 2
8 1 10 SER O 1 14 ARG H . . 2.100 1.780 1.706 1.978 . 0 0 "[ . 1 . 2]" 2
9 1 11 LEU O 1 15 CYS N . . 3.100 3.019 2.844 3.150 0.050 11 0 "[ . 1 . 2]" 2
10 1 11 LEU O 1 15 CYS H . . 2.100 2.047 1.875 2.166 0.066 1 0 "[ . 1 . 2]" 2
11 1 12 GLU O 1 16 VAL N . . 3.100 3.026 2.812 3.158 0.058 12 0 "[ . 1 . 2]" 2
12 1 12 GLU O 1 16 VAL H . . 2.100 2.022 1.843 2.156 0.056 12 0 "[ . 1 . 2]" 2
13 1 13 HIS O 1 17 GLU N . . 3.100 2.960 2.740 3.137 0.037 15 0 "[ . 1 . 2]" 2
14 1 13 HIS O 1 17 GLU H . . 2.100 1.977 1.753 2.153 0.053 15 0 "[ . 1 . 2]" 2
15 1 14 ARG O 1 18 SER N . . 3.100 2.808 2.740 2.913 . 0 0 "[ . 1 . 2]" 2
16 1 14 ARG O 1 18 SER H . . 2.100 1.834 1.762 1.966 . 0 0 "[ . 1 . 2]" 2
17 1 15 CYS O 1 19 ALA N . . 3.100 3.095 2.904 3.160 0.060 6 0 "[ . 1 . 2]" 2
18 1 15 CYS O 1 19 ALA H . . 2.100 2.092 1.895 2.153 0.053 6 0 "[ . 1 . 2]" 2
19 1 16 VAL O 1 20 LYS N . . 3.100 3.030 2.867 3.154 0.054 15 0 "[ . 1 . 2]" 2
20 1 16 VAL O 1 20 LYS H . . 2.100 2.027 1.854 2.162 0.062 8 0 "[ . 1 . 2]" 2
21 1 17 GLU O 1 21 ILE N . . 3.100 2.825 2.745 2.959 . 0 0 "[ . 1 . 2]" 2
22 1 17 GLU O 1 21 ILE H . . 2.100 1.838 1.761 1.975 . 0 0 "[ . 1 . 2]" 2
23 1 18 SER O 1 22 ARG N . . 3.100 2.805 2.717 2.876 . 0 0 "[ . 1 . 2]" 2
24 1 18 SER O 1 22 ARG H . . 2.100 1.815 1.715 1.891 . 0 0 "[ . 1 . 2]" 2
25 1 19 ALA O 1 23 ALA N . . 3.100 3.022 2.922 3.123 0.023 8 0 "[ . 1 . 2]" 2
26 1 19 ALA O 1 23 ALA H . . 2.100 2.088 1.951 2.162 0.062 8 0 "[ . 1 . 2]" 2
27 1 20 LYS O 1 24 LYS N . . 3.100 2.964 2.823 3.141 0.041 16 0 "[ . 1 . 2]" 2
28 1 20 LYS O 1 24 LYS H . . 2.100 1.968 1.813 2.151 0.051 16 0 "[ . 1 . 2]" 2
29 1 21 ILE O 1 25 TYR N . . 3.100 2.698 2.664 2.731 . 0 0 "[ . 1 . 2]" 2
30 1 21 ILE O 1 25 TYR H . . 2.100 1.753 1.707 1.797 . 0 0 "[ . 1 . 2]" 2
31 1 29 VAL N 1 51 VAL O . . 3.100 2.816 2.748 2.937 . 0 0 "[ . 1 . 2]" 2
32 1 29 VAL H 1 51 VAL O . . 2.100 1.841 1.757 1.974 . 0 0 "[ . 1 . 2]" 2
33 1 31 VAL N 1 49 TYR O . . 3.100 2.827 2.749 2.923 . 0 0 "[ . 1 . 2]" 2
34 1 31 VAL H 1 49 TYR O . . 2.100 1.849 1.761 1.959 . 0 0 "[ . 1 . 2]" 2
35 1 32 ILE N 1 105 LEU O . . 3.100 2.962 2.861 3.139 0.039 16 0 "[ . 1 . 2]" 2
36 1 32 ILE H 1 105 LEU O . . 2.100 2.075 1.932 2.168 0.068 10 0 "[ . 1 . 2]" 2
37 1 34 GLU N 1 107 VAL O . . 3.100 3.110 3.020 3.155 0.055 8 0 "[ . 1 . 2]" 2
38 1 34 GLU H 1 107 VAL O . . 2.100 2.157 2.106 2.173 0.073 17 0 "[ . 1 . 2]" 2
39 1 36 VAL N 1 109 TYR O . . 3.100 2.917 2.810 3.076 . 0 0 "[ . 1 . 2]" 2
40 1 36 VAL H 1 109 TYR O . . 2.100 1.977 1.853 2.165 0.065 5 0 "[ . 1 . 2]" 2
41 1 31 VAL O 1 49 TYR N . . 3.100 2.949 2.807 3.107 0.007 15 0 "[ . 1 . 2]" 2
42 1 31 VAL O 1 49 TYR H . . 2.100 2.103 1.896 2.165 0.065 10 0 "[ . 1 . 2]" 2
43 1 29 VAL O 1 51 VAL N . . 3.100 3.123 3.090 3.154 0.054 20 0 "[ . 1 . 2]" 2
44 1 29 VAL O 1 51 VAL H . . 2.100 2.168 2.155 2.178 0.078 3 0 "[ . 1 . 2]" 2
45 1 27 ASP O 1 53 SER N . . 3.100 2.916 2.776 3.131 0.031 18 0 "[ . 1 . 2]" 2
46 1 27 ASP O 1 53 SER H . . 2.100 1.935 1.767 2.162 0.062 18 0 "[ . 1 . 2]" 2
47 1 56 THR O 1 60 PHE N . . 3.100 3.064 2.934 3.154 0.054 3 0 "[ . 1 . 2]" 2
48 1 56 THR O 1 60 PHE H . . 2.100 2.059 1.921 2.158 0.058 12 0 "[ . 1 . 2]" 2
49 1 57 VAL O 1 61 MET N . . 3.100 2.875 2.778 3.069 . 0 0 "[ . 1 . 2]" 2
50 1 57 VAL O 1 61 MET H . . 2.100 1.875 1.779 2.083 . 0 0 "[ . 1 . 2]" 2
51 1 58 ALA O 1 62 TRP N . . 3.100 3.005 2.850 3.146 0.046 10 0 "[ . 1 . 2]" 2
52 1 58 ALA O 1 62 TRP H . . 2.100 2.037 1.879 2.174 0.074 10 0 "[ . 1 . 2]" 2
53 1 59 GLN O 1 63 ILE N . . 3.100 2.950 2.785 3.101 0.001 4 0 "[ . 1 . 2]" 2
54 1 59 GLN O 1 63 ILE H . . 2.100 1.975 1.779 2.139 0.039 4 0 "[ . 1 . 2]" 2
55 1 60 PHE O 1 64 ILE N . . 3.100 2.959 2.818 3.133 0.033 14 0 "[ . 1 . 2]" 2
56 1 60 PHE O 1 64 ILE H . . 2.100 1.967 1.820 2.134 0.034 14 0 "[ . 1 . 2]" 2
57 1 61 MET O 1 65 ARG N . . 3.100 3.068 2.947 3.156 0.056 14 0 "[ . 1 . 2]" 2
58 1 61 MET O 1 65 ARG H . . 2.100 2.055 1.929 2.145 0.045 14 0 "[ . 1 . 2]" 2
59 1 62 TRP O 1 66 LYS N . . 3.100 3.014 2.864 3.136 0.036 18 0 "[ . 1 . 2]" 2
60 1 62 TRP O 1 66 LYS H . . 2.100 2.062 1.907 2.168 0.068 12 0 "[ . 1 . 2]" 2
61 1 63 ILE O 1 67 ARG N . . 3.100 2.798 2.735 2.849 . 0 0 "[ . 1 . 2]" 2
62 1 63 ILE O 1 67 ARG H . . 2.100 1.819 1.741 1.869 . 0 0 "[ . 1 . 2]" 2
63 1 64 ILE O 1 68 ILE N . . 3.100 3.036 2.932 3.132 0.032 16 0 "[ . 1 . 2]" 2
64 1 64 ILE O 1 68 ILE H . . 2.100 2.033 1.917 2.158 0.058 7 0 "[ . 1 . 2]" 2
65 1 77 PHE N 1 110 SER O . . 3.100 2.933 2.821 3.127 0.027 12 0 "[ . 1 . 2]" 2
66 1 77 PHE H 1 110 SER O . . 2.100 2.059 1.908 2.163 0.063 15 0 "[ . 1 . 2]" 2
67 1 79 PHE N 1 108 ALA O . . 3.100 2.925 2.872 3.009 . 0 0 "[ . 1 . 2]" 2
68 1 79 PHE H 1 108 ALA O . . 2.100 1.993 1.911 2.122 0.022 11 0 "[ . 1 . 2]" 2
69 1 90 THR O 1 94 LEU N . . 3.100 2.956 2.822 3.076 . 0 0 "[ . 1 . 2]" 2
70 1 90 THR O 1 94 LEU H . . 2.100 1.949 1.811 2.063 . 0 0 "[ . 1 . 2]" 2
71 1 91 MET O 1 95 TYR N . . 3.100 2.841 2.703 2.922 . 0 0 "[ . 1 . 2]" 2
72 1 91 MET O 1 95 TYR H . . 2.100 1.891 1.749 2.018 . 0 0 "[ . 1 . 2]" 2
73 1 92 GLY O 1 96 GLU N . . 3.100 2.971 2.864 3.142 0.042 4 0 "[ . 1 . 2]" 2
74 1 92 GLY O 1 96 GLU H . . 2.100 1.973 1.863 2.141 0.041 4 0 "[ . 1 . 2]" 2
75 1 93 GLN O 1 97 LYS N . . 3.100 2.929 2.771 3.111 0.011 4 0 "[ . 1 . 2]" 2
76 1 93 GLN O 1 97 LYS H . . 2.100 2.005 1.861 2.138 0.038 15 0 "[ . 1 . 2]" 2
77 1 94 LEU O 1 98 GLU N . . 3.100 2.770 2.705 2.929 . 0 0 "[ . 1 . 2]" 2
78 1 94 LEU O 1 98 GLU H . . 2.100 1.847 1.736 2.019 . 0 0 "[ . 1 . 2]" 2
79 1 95 TYR O 1 99 LYS N . . 3.100 2.808 2.667 2.959 . 0 0 "[ . 1 . 2]" 2
80 1 95 TYR O 1 99 LYS H . . 2.100 2.131 1.958 2.181 0.081 8 0 "[ . 1 . 2]" 2
81 1 30 PRO O 1 105 LEU N . . 3.100 3.064 2.972 3.122 0.022 12 0 "[ . 1 . 2]" 2
82 1 30 PRO O 1 105 LEU H . . 2.100 2.162 2.147 2.171 0.071 9 0 "[ . 1 . 2]" 2
83 1 32 ILE O 1 107 VAL N . . 3.100 2.931 2.788 3.145 0.045 4 0 "[ . 1 . 2]" 2
84 1 32 ILE O 1 107 VAL H . . 2.100 1.941 1.833 2.150 0.050 4 0 "[ . 1 . 2]" 2
85 1 34 GLU O 1 109 TYR N . . 3.100 3.001 2.871 3.094 . 0 0 "[ . 1 . 2]" 2
86 1 34 GLU O 1 109 TYR H . . 2.100 2.103 1.976 2.163 0.063 5 0 "[ . 1 . 2]" 2
87 1 79 PHE O 1 108 ALA N . . 3.100 2.973 2.849 3.113 0.013 8 0 "[ . 1 . 2]" 2
88 1 79 PHE O 1 108 ALA H . . 2.100 1.970 1.838 2.095 . 0 0 "[ . 1 . 2]" 2
89 1 77 PHE O 1 110 SER N . . 3.100 3.025 2.909 3.129 0.029 5 0 "[ . 1 . 2]" 2
90 1 77 PHE O 1 110 SER H . . 2.100 2.072 1.937 2.161 0.061 5 0 "[ . 1 . 2]" 2
91 1 57 VAL N 1 89 LEU O . . 3.100 2.940 2.864 3.099 . 0 0 "[ . 1 . 2]" 2
92 1 57 VAL H 1 89 LEU O . . 2.100 1.964 1.860 2.137 0.037 4 0 "[ . 1 . 2]" 2
93 1 58 ALA N 1 87 SER O . . 3.100 2.849 2.738 2.989 . 0 0 "[ . 1 . 2]" 2
94 1 58 ALA H 1 87 SER O . . 2.100 1.984 1.852 2.159 0.059 15 0 "[ . 1 . 2]" 2
95 1 55 ILE O 1 91 MET H . . 2.100 1.815 1.755 1.895 . 0 0 "[ . 1 . 2]" 2
96 1 53 SER O 1 92 GLY N . . 3.100 2.960 2.829 3.138 0.038 11 0 "[ . 1 . 2]" 2
97 1 53 SER O 1 92 GLY H . . 2.100 2.021 1.893 2.161 0.061 17 0 "[ . 1 . 2]" 2
98 1 46 LYS O 2 12 TRP N . . 3.100 2.823 2.760 2.882 . 0 0 "[ . 1 . 2]" 2
99 1 46 LYS O 2 12 TRP H . . 2.100 2.143 2.052 2.166 0.066 15 0 "[ . 1 . 2]" 2
100 1 48 LYS O 2 15 GLU N . . 3.100 2.836 2.723 2.986 . 0 0 "[ . 1 . 2]" 2
101 1 48 LYS O 2 15 GLU H . . 2.100 1.884 1.783 2.159 0.059 3 0 "[ . 1 . 2]" 2
102 1 50 LEU O 2 17 VAL N . . 3.100 3.002 2.887 3.140 0.040 15 0 "[ . 1 . 2]" 2
103 1 50 LEU O 2 17 VAL H . . 2.100 1.995 1.877 2.137 0.037 15 0 "[ . 1 . 2]" 2
104 1 48 LYS N 2 13 GLY O . . 3.100 2.771 2.724 2.915 . 0 0 "[ . 1 . 2]" 2
105 1 48 LYS H 2 13 GLY O . . 2.100 1.767 1.712 1.919 . 0 0 "[ . 1 . 2]" 2
106 1 50 LEU N 2 15 GLU O . . 3.100 2.920 2.762 3.068 . 0 0 "[ . 1 . 2]" 2
107 1 50 LEU H 2 15 GLU O . . 2.100 2.000 1.821 2.160 0.060 8 0 "[ . 1 . 2]" 2
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