NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502368 |
2kx3   |
16899 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kx3
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 1057
_Distance_constraint_stats_list.Viol_count 1084
_Distance_constraint_stats_list.Viol_total 913.136
_Distance_constraint_stats_list.Viol_max 0.467
_Distance_constraint_stats_list.Viol_rms 0.0137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0421
_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 0.010 0.005 3 0 "[ . 1 . 2]"
1 2 ALA 0.873 0.119 19 0 "[ . 1 . 2]"
1 3 LEU 5.406 0.176 7 0 "[ . 1 . 2]"
1 4 PRO 0.352 0.119 19 0 "[ . 1 . 2]"
1 5 MET 1.663 0.125 2 0 "[ . 1 . 2]"
1 6 ILE 1.122 0.083 3 0 "[ . 1 . 2]"
1 7 VAL 2.595 0.173 10 0 "[ . 1 . 2]"
1 8 LYS 0.305 0.069 16 0 "[ . 1 . 2]"
1 9 TRP 1.011 0.108 15 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.758 0.126 16 0 "[ . 1 . 2]"
1 13 GLU 0.578 0.058 10 0 "[ . 1 . 2]"
1 14 TYR 0.636 0.071 17 0 "[ . 1 . 2]"
1 15 SER 0.156 0.044 17 0 "[ . 1 . 2]"
1 16 VAL 1.365 0.122 13 0 "[ . 1 . 2]"
1 17 THR 1.364 0.125 2 0 "[ . 1 . 2]"
1 18 THR 3.135 0.130 15 0 "[ . 1 . 2]"
1 19 LEU 2.357 0.130 15 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLU 0.247 0.063 6 0 "[ . 1 . 2]"
1 22 ASP 0.036 0.018 3 0 "[ . 1 . 2]"
1 23 ASP 0.050 0.018 3 0 "[ . 1 . 2]"
1 24 THR 1.068 0.066 17 0 "[ . 1 . 2]"
1 25 VAL 1.721 0.080 20 0 "[ . 1 . 2]"
1 26 LEU 0.052 0.019 13 0 "[ . 1 . 2]"
1 27 ASP 0.454 0.077 11 0 "[ . 1 . 2]"
1 28 LEU 1.328 0.117 10 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 1.083 0.159 13 0 "[ . 1 . 2]"
1 31 PHE 2.263 0.217 8 0 "[ . 1 . 2]"
1 32 LEU 1.855 0.127 17 0 "[ . 1 . 2]"
1 33 LYS 1.995 0.179 14 0 "[ . 1 . 2]"
1 34 THR 0.679 0.057 7 0 "[ . 1 . 2]"
1 35 LEU 0.050 0.027 13 0 "[ . 1 . 2]"
1 36 THR 2.630 0.217 8 0 "[ . 1 . 2]"
1 37 GLY 0.362 0.179 14 0 "[ . 1 . 2]"
1 38 VAL 0.577 0.103 17 0 "[ . 1 . 2]"
1 39 LEU 2.842 0.245 15 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.012 0.005 17 0 "[ . 1 . 2]"
1 42 ARG 0.329 0.062 1 0 "[ . 1 . 2]"
1 43 GLN 0.917 0.261 14 0 "[ . 1 . 2]"
1 44 LYS 0.886 0.095 3 0 "[ . 1 . 2]"
1 45 LEU 1.824 0.279 5 0 "[ . 1 . 2]"
1 46 LEU 1.517 0.279 5 0 "[ . 1 . 2]"
1 48 LEU 2.491 0.123 20 0 "[ . 1 . 2]"
1 49 LYS 0.925 0.122 10 0 "[ . 1 . 2]"
1 50 VAL 0.939 0.059 18 0 "[ . 1 . 2]"
1 51 LYS 0.113 0.088 9 0 "[ . 1 . 2]"
1 52 GLY 0.090 0.088 9 0 "[ . 1 . 2]"
1 53 LYS 0.049 0.016 8 0 "[ . 1 . 2]"
1 54 PRO 0.122 0.025 13 0 "[ . 1 . 2]"
1 55 ALA 0.656 0.059 18 0 "[ . 1 . 2]"
1 56 GLU 0.207 0.015 1 0 "[ . 1 . 2]"
1 57 ASN 0.796 0.050 9 0 "[ . 1 . 2]"
1 58 ASP 0.055 0.032 15 0 "[ . 1 . 2]"
1 59 VAL 1.253 0.080 20 0 "[ . 1 . 2]"
1 60 LYS 1.660 0.089 3 0 "[ . 1 . 2]"
1 61 LEU 0.385 0.092 3 0 "[ . 1 . 2]"
1 62 GLY 0.322 0.085 16 0 "[ . 1 . 2]"
1 63 ALA 1.903 0.253 17 0 "[ . 1 . 2]"
1 64 LEU 4.246 0.467 5 0 "[ . 1 . 2]"
1 65 LYS 1.718 0.253 17 0 "[ . 1 . 2]"
1 66 LEU 1.252 0.189 18 0 "[ . 1 . 2]"
1 67 LYS 2.109 0.197 4 0 "[ . 1 . 2]"
1 68 PRO 0.453 0.062 2 0 "[ . 1 . 2]"
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 6.216 0.214 6 0 "[ . 1 . 2]"
1 71 LYS 0.853 0.330 15 0 "[ . 1 . 2]"
1 72 ILE 3.182 0.173 10 0 "[ . 1 . 2]"
1 73 MET 0.534 0.084 20 0 "[ . 1 . 2]"
1 74 MET 1.508 0.191 18 0 "[ . 1 . 2]"
1 75 MET 0.566 0.103 18 0 "[ . 1 . 2]"
1 76 GLY 0.026 0.026 20 0 "[ . 1 . 2]"
1 77 THR 0.258 0.065 9 0 "[ . 1 . 2]"
1 78 ARG 0.196 0.136 11 0 "[ . 1 . 2]"
1 79 GLU 0.085 0.025 1 0 "[ . 1 . 2]"
1 80 GLU 0.065 0.025 1 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 H1 1 1 MET HB2 . . 4.010 3.063 2.469 3.956 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET H1 1 1 MET HB3 . . 4.010 3.631 2.827 4.015 0.005 10 0 "[ . 1 . 2]" 1
3 1 1 MET H1 1 1 MET QG . . 4.530 3.071 1.976 4.251 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 1 MET QG . . 3.930 2.633 2.178 3.363 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 2 ALA H . . 2.870 2.334 2.165 2.632 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 2 ALA HA . . 4.530 4.373 4.302 4.427 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 2 ALA H . . 4.210 2.673 2.019 3.646 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QB 1 2 ALA MB . . 4.590 4.131 3.205 4.595 0.005 3 0 "[ . 1 . 2]" 1
9 1 1 MET QG 1 2 ALA H . . 4.490 3.735 1.964 4.313 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA H 1 2 ALA MB . . 2.930 2.282 2.068 2.910 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA H 1 59 VAL QG . . 4.890 2.676 1.769 4.928 0.038 19 0 "[ . 1 . 2]" 1
12 1 2 ALA HA 1 3 LEU H . . 3.040 2.254 2.143 2.733 . 0 0 "[ . 1 . 2]" 1
13 1 2 ALA MB 1 3 LEU H . . 3.620 3.140 2.214 3.715 0.095 6 0 "[ . 1 . 2]" 1
14 1 2 ALA MB 1 3 LEU QD . . 4.120 3.895 3.258 4.163 0.043 1 0 "[ . 1 . 2]" 1
15 1 2 ALA MB 1 4 PRO HD3 . . 5.130 5.045 4.758 5.249 0.119 19 0 "[ . 1 . 2]" 1
16 1 2 ALA MB 1 25 VAL MG1 . . 4.360 2.233 1.895 3.128 . 0 0 "[ . 1 . 2]" 1
17 1 2 ALA MB 1 25 VAL MG2 . . 3.750 2.271 1.850 3.271 . 0 0 "[ . 1 . 2]" 1
18 1 2 ALA MB 1 48 LEU QD . . 3.400 2.654 1.907 3.463 0.063 7 0 "[ . 1 . 2]" 1
19 1 2 ALA MB 1 59 VAL MG1 . . 3.420 2.616 1.890 3.369 . 0 0 "[ . 1 . 2]" 1
20 1 2 ALA MB 1 59 VAL MG2 . . 3.420 3.114 2.384 3.452 0.032 9 0 "[ . 1 . 2]" 1
21 1 3 LEU H 1 3 LEU HB2 . . 3.240 2.747 2.467 2.960 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU H 1 3 LEU HB3 . . 3.920 3.730 3.618 3.844 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU H 1 4 PRO HD2 . . 4.920 4.831 4.812 4.842 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU H 1 48 LEU HB2 . . 4.440 3.911 3.195 4.453 0.013 15 0 "[ . 1 . 2]" 1
25 1 3 LEU H 1 48 LEU QD . . 4.040 2.015 1.824 2.401 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU HA 1 3 LEU MD1 . . 4.270 3.294 2.016 3.997 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU HA 1 3 LEU QD . . 3.430 2.807 2.004 3.225 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU HA 1 3 LEU MD2 . . 4.270 3.382 2.188 3.656 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU HA 1 4 PRO QB . . 5.230 4.542 4.534 4.550 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU HB2 1 3 LEU MD1 . . 3.610 2.326 2.001 3.165 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU HB2 1 3 LEU MD2 . . 3.610 2.622 2.052 3.178 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU HB2 1 5 MET HB2 . . 5.350 4.643 4.293 5.312 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU HB2 1 5 MET HB3 . . 5.500 4.994 4.710 5.278 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU HB2 1 16 VAL QG . . 4.910 4.924 4.682 5.032 0.122 13 0 "[ . 1 . 2]" 1
35 1 3 LEU HB2 1 48 LEU HB2 . . 4.460 4.069 3.500 4.500 0.040 9 0 "[ . 1 . 2]" 1
36 1 3 LEU HB2 1 70 THR MG . . 4.030 4.088 3.949 4.142 0.112 17 0 "[ . 1 . 2]" 1
37 1 3 LEU HB3 1 3 LEU MD1 . . 3.620 2.883 2.245 3.153 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU HB3 1 3 LEU MD2 . . 3.620 2.287 1.959 3.139 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU HB3 1 66 LEU QD . . 3.720 2.548 2.136 3.745 0.025 2 0 "[ . 1 . 2]" 1
40 1 3 LEU HB3 1 70 THR MG . . 3.590 3.673 3.612 3.766 0.176 7 0 "[ . 1 . 2]" 1
41 1 3 LEU QD 1 5 MET QG . . 3.990 3.328 3.039 3.768 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU QD 1 48 LEU HB2 . . 3.720 2.914 2.608 3.471 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU QD 1 48 LEU QD . . 2.820 2.443 1.851 2.934 0.114 7 0 "[ . 1 . 2]" 1
44 1 3 LEU MD1 1 48 LEU HB2 . . 5.030 3.422 2.631 5.127 0.097 6 0 "[ . 1 . 2]" 1
45 1 3 LEU MD2 1 48 LEU HB2 . . 5.030 4.593 2.616 5.132 0.102 7 0 "[ . 1 . 2]" 1
46 1 4 PRO HA 1 5 MET H . . 3.030 2.365 2.224 2.482 . 0 0 "[ . 1 . 2]" 1
47 1 4 PRO HA 1 17 THR HA . . 3.930 1.968 1.933 2.060 . 0 0 "[ . 1 . 2]" 1
48 1 4 PRO HA 1 18 THR HB . . 5.480 3.582 3.161 5.329 . 0 0 "[ . 1 . 2]" 1
49 1 4 PRO HA 1 18 THR MG . . 5.010 3.745 2.751 4.148 . 0 0 "[ . 1 . 2]" 1
50 1 4 PRO QB 1 18 THR MG . . 3.970 2.058 1.918 2.477 . 0 0 "[ . 1 . 2]" 1
51 1 4 PRO HB2 1 17 THR HA . . 4.570 3.251 2.899 3.618 . 0 0 "[ . 1 . 2]" 1
52 1 4 PRO HB2 1 18 THR MG . . 4.530 3.202 2.943 3.677 . 0 0 "[ . 1 . 2]" 1
53 1 4 PRO HB3 1 17 THR HA . . 4.570 3.217 3.023 3.419 . 0 0 "[ . 1 . 2]" 1
54 1 4 PRO HB3 1 18 THR MG . . 4.530 2.085 1.930 2.518 . 0 0 "[ . 1 . 2]" 1
55 1 5 MET H 1 5 MET HB2 . . 3.800 3.053 2.898 3.448 . 0 0 "[ . 1 . 2]" 1
56 1 5 MET H 1 5 MET HB3 . . 3.970 3.851 3.784 3.950 . 0 0 "[ . 1 . 2]" 1
57 1 5 MET H 1 5 MET QG . . 3.970 2.400 2.234 2.657 . 0 0 "[ . 1 . 2]" 1
58 1 5 MET H 1 16 VAL H . . 4.560 4.446 4.154 4.605 0.045 8 0 "[ . 1 . 2]" 1
59 1 5 MET H 1 17 THR HA . . 3.740 2.932 2.534 3.220 . 0 0 "[ . 1 . 2]" 1
60 1 5 MET HA 1 5 MET QG . . 3.940 2.759 2.671 3.018 . 0 0 "[ . 1 . 2]" 1
61 1 5 MET HA 1 6 ILE H . . 3.020 2.455 2.410 2.482 . 0 0 "[ . 1 . 2]" 1
62 1 5 MET HA 1 17 THR HA . . 4.510 4.436 4.226 4.547 0.037 5 0 "[ . 1 . 2]" 1
63 1 5 MET HA 1 17 THR HB . . 5.360 5.413 5.352 5.485 0.125 2 0 "[ . 1 . 2]" 1
64 1 5 MET HA 1 68 PRO HA . . 5.050 2.415 2.198 2.768 . 0 0 "[ . 1 . 2]" 1
65 1 5 MET HA 1 72 ILE H . . 4.830 4.543 4.221 4.858 0.028 6 0 "[ . 1 . 2]" 1
66 1 5 MET HB2 1 6 ILE HB . . 5.500 5.466 5.181 5.558 0.058 9 0 "[ . 1 . 2]" 1
67 1 5 MET HB2 1 16 VAL H . . 4.980 4.856 4.652 5.006 0.026 14 0 "[ . 1 . 2]" 1
68 1 5 MET HB2 1 72 ILE HB . . 3.850 2.037 1.930 2.345 . 0 0 "[ . 1 . 2]" 1
69 1 5 MET HB2 1 72 ILE MG . . 4.470 2.026 1.939 2.135 . 0 0 "[ . 1 . 2]" 1
70 1 5 MET HB3 1 6 ILE HB . . 5.500 5.097 4.939 5.504 0.004 7 0 "[ . 1 . 2]" 1
71 1 5 MET HB3 1 72 ILE H . . 3.920 2.963 2.606 3.410 . 0 0 "[ . 1 . 2]" 1
72 1 5 MET HB3 1 72 ILE MG . . 4.500 2.957 2.723 3.602 . 0 0 "[ . 1 . 2]" 1
73 1 5 MET QG 1 6 ILE H . . 4.370 4.250 4.179 4.338 . 0 0 "[ . 1 . 2]" 1
74 1 5 MET QG 1 16 VAL HB . . 5.410 4.425 3.108 5.485 0.075 12 0 "[ . 1 . 2]" 1
75 1 5 MET QG 1 16 VAL QG . . 5.350 3.678 2.655 4.140 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE H 1 6 ILE HB . . 3.480 2.575 2.483 2.761 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE H 1 6 ILE MD . . 4.630 3.394 2.347 3.932 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE H 1 6 ILE HG12 . . 4.680 3.824 2.424 4.376 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE H 1 6 ILE QG . . 3.880 2.854 2.402 3.624 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE H 1 6 ILE HG13 . . 4.680 3.157 2.578 4.023 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE H 1 6 ILE MG . . 4.370 3.814 3.747 3.884 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE H 1 71 LYS H . . 3.950 3.381 3.078 3.717 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE H 1 71 LYS HA . . 3.880 2.714 2.113 3.154 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE H 1 72 ILE H . . 4.360 2.775 2.556 3.060 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE H 1 72 ILE HB . . 4.360 4.339 4.183 4.438 0.078 14 0 "[ . 1 . 2]" 1
86 1 6 ILE HA 1 6 ILE MD . . 3.900 3.391 1.958 3.880 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE HA 1 6 ILE MG . . 3.370 2.355 2.168 2.454 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE HA 1 7 VAL H . . 3.140 2.188 2.159 2.205 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE HA 1 15 SER HA . . 3.800 2.289 1.988 2.618 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE HA 1 71 LYS HA . . 5.500 5.293 4.879 5.550 0.050 19 0 "[ . 1 . 2]" 1
91 1 6 ILE HB 1 6 ILE MD . . 3.670 2.425 2.149 3.231 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HB 1 7 VAL H . . 4.510 4.057 3.887 4.194 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE HB 1 71 LYS H . . 5.500 4.949 4.688 5.285 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE HB 1 71 LYS HA . . 3.790 3.603 3.441 3.812 0.022 13 0 "[ . 1 . 2]" 1
95 1 6 ILE HB 1 72 ILE H . . 4.810 4.070 3.905 4.240 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE MD 1 15 SER HA . . 4.490 4.039 2.338 4.513 0.023 7 0 "[ . 1 . 2]" 1
97 1 6 ILE MD 1 15 SER QB . . 4.620 3.476 1.843 4.363 . 0 0 "[ . 1 . 2]" 1
98 1 6 ILE MD 1 71 LYS HA . . 5.500 4.639 3.673 5.505 0.005 10 0 "[ . 1 . 2]" 1
99 1 6 ILE QG 1 6 ILE MG . . 2.980 2.206 1.998 2.331 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE QG 1 15 SER HA . . 4.350 3.076 2.150 4.350 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE QG 1 15 SER QB . . 4.210 2.887 2.245 3.733 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE QG 1 16 VAL H . . 5.160 3.878 3.080 5.135 . 0 0 "[ . 1 . 2]" 1
103 1 6 ILE HG12 1 6 ILE MG . . 3.430 2.404 2.069 3.193 . 0 0 "[ . 1 . 2]" 1
104 1 6 ILE HG13 1 6 ILE MG . . 3.430 2.909 2.263 3.202 . 0 0 "[ . 1 . 2]" 1
105 1 6 ILE MG 1 13 GLU HA . . 5.020 4.663 4.176 5.007 . 0 0 "[ . 1 . 2]" 1
106 1 6 ILE MG 1 13 GLU QB . . 5.060 4.890 4.697 5.076 0.016 9 0 "[ . 1 . 2]" 1
107 1 6 ILE MG 1 13 GLU HG2 . . 4.060 3.597 3.157 4.113 0.053 16 0 "[ . 1 . 2]" 1
108 1 6 ILE MG 1 13 GLU HG3 . . 4.060 3.617 3.075 4.082 0.022 11 0 "[ . 1 . 2]" 1
109 1 6 ILE MG 1 14 TYR H . . 4.660 4.457 3.678 4.673 0.013 15 0 "[ . 1 . 2]" 1
110 1 6 ILE MG 1 15 SER HA . . 4.160 2.444 2.111 2.733 . 0 0 "[ . 1 . 2]" 1
111 1 6 ILE MG 1 71 LYS HA . . 4.870 4.808 4.578 4.953 0.083 3 0 "[ . 1 . 2]" 1
112 1 7 VAL H 1 7 VAL HB . . 3.790 2.999 2.371 3.659 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL H 1 7 VAL QG . . 3.720 2.093 1.909 2.778 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL H 1 13 GLU QG . . 4.670 4.623 4.250 4.728 0.058 10 0 "[ . 1 . 2]" 1
115 1 7 VAL H 1 14 TYR H . . 4.190 4.083 3.474 4.247 0.057 3 0 "[ . 1 . 2]" 1
116 1 7 VAL H 1 14 TYR QB . . 4.760 4.201 3.775 4.763 0.003 13 0 "[ . 1 . 2]" 1
117 1 7 VAL H 1 15 SER H . . 4.970 4.556 4.235 5.014 0.044 17 0 "[ . 1 . 2]" 1
118 1 7 VAL HA 1 7 VAL QG . . 3.030 2.250 2.087 2.363 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL HA 1 8 LYS H . . 2.980 2.167 2.145 2.181 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL HA 1 72 ILE HB . . 5.170 5.032 4.846 5.104 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL HA 1 72 ILE HG12 . . 5.500 5.345 5.247 5.518 0.018 3 0 "[ . 1 . 2]" 1
122 1 7 VAL HA 1 72 ILE HG13 . . 5.500 5.583 5.492 5.673 0.173 10 0 "[ . 1 . 2]" 1
123 1 7 VAL HA 1 72 ILE MG . . 4.090 2.078 1.968 2.149 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL HB 1 14 TYR QB . . 4.810 4.212 2.130 4.881 0.071 17 0 "[ . 1 . 2]" 1
125 1 7 VAL QG 1 8 LYS H . . 3.720 2.621 2.186 3.505 . 0 0 "[ . 1 . 2]" 1
126 1 7 VAL QG 1 16 VAL QG . . 3.060 1.985 1.645 2.651 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL QG 1 72 ILE MD . . 2.810 2.245 1.806 2.794 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL QG 1 74 MET H . . 3.800 2.714 2.174 3.817 0.017 4 0 "[ . 1 . 2]" 1
129 1 7 VAL QG 1 74 MET HA . . 4.480 3.837 3.440 4.110 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL QG 1 74 MET QB . . 3.710 2.125 1.773 2.879 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL QG 1 74 MET QG . . 3.790 2.377 1.894 3.598 . 0 0 "[ . 1 . 2]" 1
132 1 7 VAL QG 1 75 MET H . . 5.440 5.256 4.937 5.543 0.103 18 0 "[ . 1 . 2]" 1
133 1 8 LYS H 1 8 LYS HB2 . . 4.130 3.073 2.786 3.802 . 0 0 "[ . 1 . 2]" 1
134 1 8 LYS H 1 8 LYS QB . . 3.600 2.874 2.592 3.340 . 0 0 "[ . 1 . 2]" 1
135 1 8 LYS H 1 8 LYS HB3 . . 4.130 3.671 2.838 3.951 . 0 0 "[ . 1 . 2]" 1
136 1 8 LYS H 1 8 LYS QG . . 4.500 3.030 2.315 4.293 . 0 0 "[ . 1 . 2]" 1
137 1 8 LYS H 1 9 TRP HA . . 4.470 4.406 4.316 4.523 0.053 13 0 "[ . 1 . 2]" 1
138 1 8 LYS H 1 74 MET H . . 4.170 3.758 3.067 4.191 0.021 6 0 "[ . 1 . 2]" 1
139 1 8 LYS HA 1 8 LYS HG2 . . 4.060 2.910 2.207 3.733 . 0 0 "[ . 1 . 2]" 1
140 1 8 LYS HA 1 8 LYS HG3 . . 4.060 3.250 2.203 3.728 . 0 0 "[ . 1 . 2]" 1
141 1 8 LYS HA 1 9 TRP H . . 2.840 2.404 2.196 2.579 . 0 0 "[ . 1 . 2]" 1
142 1 8 LYS HA 1 13 GLU HA . . 3.630 2.219 1.983 2.684 . 0 0 "[ . 1 . 2]" 1
143 1 8 LYS HA 1 13 GLU QB . . 4.710 2.888 2.378 3.615 . 0 0 "[ . 1 . 2]" 1
144 1 8 LYS HA 1 14 TYR H . . 4.620 3.988 3.377 4.630 0.010 13 0 "[ . 1 . 2]" 1
145 1 8 LYS QB 1 9 TRP H . . 4.210 3.875 3.632 4.041 . 0 0 "[ . 1 . 2]" 1
146 1 8 LYS HB2 1 9 TRP H . . 4.960 4.395 3.993 4.663 . 0 0 "[ . 1 . 2]" 1
147 1 8 LYS HB3 1 9 TRP H . . 4.960 4.325 3.943 4.586 . 0 0 "[ . 1 . 2]" 1
148 1 8 LYS QG 1 9 TRP H . . 4.940 4.422 3.830 4.627 . 0 0 "[ . 1 . 2]" 1
149 1 8 LYS QG 1 14 TYR H . . 5.340 5.053 4.482 5.409 0.069 16 0 "[ . 1 . 2]" 1
150 1 9 TRP H 1 9 TRP QB . . 3.610 2.339 2.252 2.448 . 0 0 "[ . 1 . 2]" 1
151 1 9 TRP H 1 10 GLY H . . 4.730 3.881 2.570 4.641 . 0 0 "[ . 1 . 2]" 1
152 1 9 TRP H 1 12 GLN H . . 4.230 4.117 3.668 4.267 0.037 3 0 "[ . 1 . 2]" 1
153 1 9 TRP H 1 13 GLU HA . . 3.990 3.151 2.638 3.756 . 0 0 "[ . 1 . 2]" 1
154 1 9 TRP H 1 14 TYR H . . 5.180 4.439 3.774 4.987 . 0 0 "[ . 1 . 2]" 1
155 1 9 TRP H 1 74 MET H . . 4.520 4.513 4.354 4.611 0.091 3 0 "[ . 1 . 2]" 1
156 1 9 TRP H 1 74 MET QB . . 5.250 4.257 3.361 5.323 0.073 18 0 "[ . 1 . 2]" 1
157 1 9 TRP HA 1 9 TRP HD1 . . 4.900 4.065 2.080 4.720 . 0 0 "[ . 1 . 2]" 1
158 1 9 TRP QB 1 12 GLN H . . 4.030 3.305 2.053 4.138 0.108 15 0 "[ . 1 . 2]" 1
159 1 9 TRP HD1 1 75 MET HA . . 4.620 4.119 2.671 4.628 0.008 13 0 "[ . 1 . 2]" 1
160 1 9 TRP HE1 1 75 MET HA . . 4.050 3.522 2.615 4.076 0.026 10 0 "[ . 1 . 2]" 1
161 1 9 TRP HE1 1 76 GLY H . . 4.510 3.518 2.603 4.536 0.026 20 0 "[ . 1 . 2]" 1
162 1 12 GLN H 1 12 GLN HB2 . . 4.030 3.028 2.449 3.933 . 0 0 "[ . 1 . 2]" 1
163 1 12 GLN H 1 12 GLN QB . . 3.510 2.700 2.181 3.214 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLN H 1 12 GLN HB3 . . 4.030 3.495 2.213 3.911 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLN H 1 12 GLN QG . . 3.440 2.756 1.955 3.566 0.126 16 0 "[ . 1 . 2]" 1
166 1 12 GLN H 1 13 GLU H . . 4.580 4.316 3.962 4.515 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLN HA 1 12 GLN QG . . 3.650 2.903 2.353 3.460 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLN HA 1 13 GLU H . . 3.000 2.188 2.141 2.313 . 0 0 "[ . 1 . 2]" 1
169 1 12 GLN QB 1 13 GLU H . . 3.780 3.203 2.637 3.721 . 0 0 "[ . 1 . 2]" 1
170 1 12 GLN QB 1 36 THR MG . . 5.340 4.322 3.064 5.215 . 0 0 "[ . 1 . 2]" 1
171 1 12 GLN HB2 1 13 GLU H . . 4.350 3.865 2.693 4.399 0.049 17 0 "[ . 1 . 2]" 1
172 1 12 GLN HB3 1 13 GLU H . . 4.350 3.660 2.711 4.396 0.046 15 0 "[ . 1 . 2]" 1
173 1 12 GLN QG 1 36 THR HB . . 5.420 5.326 4.917 5.501 0.081 16 0 "[ . 1 . 2]" 1
174 1 12 GLN QG 1 36 THR MG . . 5.010 4.484 3.983 5.033 0.023 19 0 "[ . 1 . 2]" 1
175 1 13 GLU H 1 13 GLU QB . . 3.380 2.539 2.420 2.682 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLU H 1 14 TYR H . . 4.660 3.732 3.440 4.353 . 0 0 "[ . 1 . 2]" 1
177 1 13 GLU HA 1 14 TYR H . . 3.120 2.276 2.143 2.406 . 0 0 "[ . 1 . 2]" 1
178 1 13 GLU HA 1 14 TYR HA . . 5.000 4.443 4.384 4.501 . 0 0 "[ . 1 . 2]" 1
179 1 13 GLU QB 1 14 TYR H . . 4.050 4.001 3.777 4.046 . 0 0 "[ . 1 . 2]" 1
180 1 13 GLU QG 1 14 TYR H . . 4.280 3.562 2.848 3.897 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLU HG2 1 14 TYR H . . 5.160 4.028 3.245 4.531 . 0 0 "[ . 1 . 2]" 1
182 1 13 GLU HG3 1 14 TYR H . . 5.160 4.225 3.106 5.156 . 0 0 "[ . 1 . 2]" 1
183 1 14 TYR H 1 14 TYR HB2 . . 4.020 2.547 2.251 3.490 . 0 0 "[ . 1 . 2]" 1
184 1 14 TYR H 1 14 TYR HB3 . . 4.020 3.268 2.370 3.801 . 0 0 "[ . 1 . 2]" 1
185 1 14 TYR H 1 14 TYR QD . . 4.050 3.679 3.091 4.086 0.036 17 0 "[ . 1 . 2]" 1
186 1 14 TYR HA 1 14 TYR QD . . 4.420 2.382 1.992 2.901 . 0 0 "[ . 1 . 2]" 1
187 1 14 TYR HA 1 15 SER H . . 2.810 2.588 2.138 2.753 . 0 0 "[ . 1 . 2]" 1
188 1 14 TYR HA 1 15 SER HA . . 4.780 4.464 4.343 4.551 . 0 0 "[ . 1 . 2]" 1
189 1 14 TYR QB 1 15 SER H . . 4.070 2.426 1.904 3.739 . 0 0 "[ . 1 . 2]" 1
190 1 14 TYR QB 1 32 LEU MD2 . . 4.530 3.143 2.607 3.968 . 0 0 "[ . 1 . 2]" 1
191 1 14 TYR QB 1 35 LEU QD . . 4.940 3.247 1.894 4.421 . 0 0 "[ . 1 . 2]" 1
192 1 14 TYR QD 1 15 SER H . . 4.680 3.270 2.325 4.202 . 0 0 "[ . 1 . 2]" 1
193 1 14 TYR QD 1 35 LEU MD1 . . 4.460 3.619 2.625 4.386 . 0 0 "[ . 1 . 2]" 1
194 1 14 TYR QD 1 35 LEU QD . . 3.840 2.803 2.470 3.538 . 0 0 "[ . 1 . 2]" 1
195 1 14 TYR QD 1 35 LEU MD2 . . 4.460 3.188 2.504 4.391 . 0 0 "[ . 1 . 2]" 1
196 1 15 SER H 1 15 SER QB . . 3.270 2.907 2.192 3.193 . 0 0 "[ . 1 . 2]" 1
197 1 15 SER H 1 17 THR MG . . 5.500 5.376 5.140 5.527 0.027 13 0 "[ . 1 . 2]" 1
198 1 15 SER HA 1 16 VAL H . . 3.150 2.157 2.138 2.192 . 0 0 "[ . 1 . 2]" 1
199 1 15 SER QB 1 16 VAL H . . 4.150 3.549 3.212 3.899 . 0 0 "[ . 1 . 2]" 1
200 1 15 SER QB 1 16 VAL HA . . 5.500 4.672 4.319 4.917 . 0 0 "[ . 1 . 2]" 1
201 1 15 SER QB 1 17 THR MG . . 4.180 3.117 2.794 3.638 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL H 1 16 VAL HB . . 3.710 2.930 2.627 3.656 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL H 1 16 VAL MG1 . . 4.310 3.420 2.018 3.868 . 0 0 "[ . 1 . 2]" 1
204 1 16 VAL H 1 16 VAL QG . . 3.600 2.067 1.752 2.342 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL H 1 16 VAL MG2 . . 4.310 2.175 1.798 3.794 . 0 0 "[ . 1 . 2]" 1
206 1 16 VAL H 1 17 THR HA . . 4.930 4.772 4.546 4.936 0.006 8 0 "[ . 1 . 2]" 1
207 1 16 VAL H 1 17 THR MG . . 5.500 4.802 4.551 5.132 . 0 0 "[ . 1 . 2]" 1
208 1 16 VAL HA 1 16 VAL MG1 . . 3.400 2.262 2.143 3.203 . 0 0 "[ . 1 . 2]" 1
209 1 16 VAL HA 1 16 VAL MG2 . . 3.400 2.653 2.251 3.202 . 0 0 "[ . 1 . 2]" 1
210 1 16 VAL QG 1 28 LEU MD1 . . 4.130 2.566 1.995 3.294 . 0 0 "[ . 1 . 2]" 1
211 1 16 VAL QG 1 45 LEU QD . . 4.270 3.464 3.080 4.016 . 0 0 "[ . 1 . 2]" 1
212 1 16 VAL QG 1 48 LEU HB2 . . 4.240 4.008 3.139 4.334 0.094 5 0 "[ . 1 . 2]" 1
213 1 16 VAL QG 1 48 LEU HB3 . . 4.260 3.887 2.852 4.299 0.039 17 0 "[ . 1 . 2]" 1
214 1 16 VAL QG 1 48 LEU QD . . 3.600 1.815 1.604 2.244 . 0 0 "[ . 1 . 2]" 1
215 1 16 VAL QG 1 48 LEU HG . . 5.300 3.260 1.996 4.041 . 0 0 "[ . 1 . 2]" 1
216 1 16 VAL QG 1 72 ILE MD . . 3.870 2.899 2.552 3.304 . 0 0 "[ . 1 . 2]" 1
217 1 16 VAL QG 1 72 ILE QG . . 4.280 3.665 3.181 4.228 . 0 0 "[ . 1 . 2]" 1
218 1 16 VAL QG 1 72 ILE MG . . 3.560 2.235 1.835 2.693 . 0 0 "[ . 1 . 2]" 1
219 1 16 VAL MG1 1 48 LEU HB3 . . 5.270 4.448 3.242 5.283 0.013 8 0 "[ . 1 . 2]" 1
220 1 16 VAL MG2 1 48 LEU HB3 . . 5.270 4.439 2.910 5.075 . 0 0 "[ . 1 . 2]" 1
221 1 17 THR HA 1 17 THR MG . . 3.280 3.194 3.187 3.205 . 0 0 "[ . 1 . 2]" 1
222 1 17 THR MG 1 18 THR H . . 4.210 3.270 2.917 3.695 . 0 0 "[ . 1 . 2]" 1
223 1 17 THR MG 1 19 LEU HB2 . . 4.680 4.490 4.123 4.727 0.047 3 0 "[ . 1 . 2]" 1
224 1 17 THR MG 1 19 LEU QB . . 4.120 3.794 3.690 3.918 . 0 0 "[ . 1 . 2]" 1
225 1 17 THR MG 1 19 LEU HB3 . . 4.680 4.098 3.998 4.183 . 0 0 "[ . 1 . 2]" 1
226 1 17 THR MG 1 19 LEU QD . . 4.250 1.932 1.776 2.649 . 0 0 "[ . 1 . 2]" 1
227 1 17 THR MG 1 19 LEU HG . . 3.630 3.116 2.335 3.660 0.030 11 0 "[ . 1 . 2]" 1
228 1 17 THR MG 1 28 LEU MD2 . . 4.210 3.555 3.202 4.130 . 0 0 "[ . 1 . 2]" 1
229 1 18 THR H 1 18 THR HB . . 4.070 2.811 2.588 3.581 . 0 0 "[ . 1 . 2]" 1
230 1 18 THR H 1 18 THR MG . . 4.390 2.081 1.920 2.947 . 0 0 "[ . 1 . 2]" 1
231 1 18 THR H 1 19 LEU H . . 3.790 2.369 2.237 2.540 . 0 0 "[ . 1 . 2]" 1
232 1 18 THR H 1 19 LEU QD . . 4.280 4.238 3.625 4.410 0.130 15 0 "[ . 1 . 2]" 1
233 1 18 THR H 1 19 LEU HG . . 5.350 4.622 4.380 5.112 . 0 0 "[ . 1 . 2]" 1
234 1 18 THR H 1 64 LEU QD . . 5.440 4.482 4.167 5.421 . 0 0 "[ . 1 . 2]" 1
235 1 18 THR HA 1 18 THR MG . . 3.130 3.107 2.234 3.207 0.077 14 0 "[ . 1 . 2]" 1
236 1 18 THR MG 1 19 LEU QD . . 4.600 4.371 3.955 4.653 0.053 11 0 "[ . 1 . 2]" 1
237 1 18 THR MG 1 61 LEU HA . . 4.910 2.204 1.939 2.726 . 0 0 "[ . 1 . 2]" 1
238 1 18 THR MG 1 64 LEU H . . 4.590 4.462 3.839 4.641 0.051 12 0 "[ . 1 . 2]" 1
239 1 18 THR MG 1 64 LEU QB . . 4.030 3.290 2.537 4.098 0.068 4 0 "[ . 1 . 2]" 1
240 1 18 THR MG 1 64 LEU MD1 . . 4.880 2.799 1.855 4.886 0.006 5 0 "[ . 1 . 2]" 1
241 1 18 THR MG 1 64 LEU QD . . 3.370 2.671 1.852 3.370 . 0 0 "[ . 1 . 2]" 1
242 1 18 THR MG 1 64 LEU MD2 . . 4.880 4.634 2.663 4.952 0.072 9 0 "[ . 1 . 2]" 1
243 1 19 LEU H 1 19 LEU QD . . 3.400 2.780 2.408 2.933 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU H 1 19 LEU HG . . 3.930 2.979 2.866 3.196 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU H 1 20 SER H . . 4.680 4.585 4.540 4.610 . 0 0 "[ . 1 . 2]" 1
246 1 19 LEU HA 1 19 LEU MD1 . . 4.120 3.886 3.338 3.991 . 0 0 "[ . 1 . 2]" 1
247 1 19 LEU HA 1 19 LEU QD . . 3.470 2.488 2.178 3.145 . 0 0 "[ . 1 . 2]" 1
248 1 19 LEU HA 1 19 LEU MD2 . . 4.120 2.575 2.189 3.641 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU HA 1 19 LEU HG . . 3.680 3.215 2.537 3.533 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU HA 1 20 SER H . . 3.040 2.659 2.566 2.717 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU HA 1 20 SER HA . . 4.730 4.325 4.311 4.344 . 0 0 "[ . 1 . 2]" 1
252 1 19 LEU QB 1 19 LEU QD . . 2.780 1.856 1.761 1.935 . 0 0 "[ . 1 . 2]" 1
253 1 19 LEU QB 1 20 SER H . . 4.090 2.067 1.908 2.198 . 0 0 "[ . 1 . 2]" 1
254 1 19 LEU QB 1 20 SER HA . . 4.700 4.248 4.205 4.308 . 0 0 "[ . 1 . 2]" 1
255 1 19 LEU QB 1 28 LEU HB3 . . 5.240 4.683 4.285 4.935 . 0 0 "[ . 1 . 2]" 1
256 1 19 LEU QD 1 20 SER H . . 4.110 3.500 3.469 3.541 . 0 0 "[ . 1 . 2]" 1
257 1 19 LEU QD 1 24 THR H . . 4.720 3.038 2.534 4.604 . 0 0 "[ . 1 . 2]" 1
258 1 19 LEU QD 1 25 VAL H . . 5.330 4.492 3.996 5.078 . 0 0 "[ . 1 . 2]" 1
259 1 19 LEU QD 1 25 VAL HA . . 3.990 3.150 2.842 3.610 . 0 0 "[ . 1 . 2]" 1
260 1 19 LEU QD 1 25 VAL MG2 . . 4.150 4.046 3.700 4.179 0.029 2 0 "[ . 1 . 2]" 1
261 1 19 LEU QD 1 27 ASP QB . . 3.560 2.476 2.090 3.471 . 0 0 "[ . 1 . 2]" 1
262 1 19 LEU QD 1 28 LEU H . . 3.440 2.386 2.122 3.292 . 0 0 "[ . 1 . 2]" 1
263 1 19 LEU QD 1 28 LEU HA . . 3.570 3.459 3.221 3.585 0.015 13 0 "[ . 1 . 2]" 1
264 1 19 LEU QD 1 28 LEU HB2 . . 4.030 3.049 2.203 3.288 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU QD 1 28 LEU HB3 . . 3.540 2.032 1.892 2.259 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU QD 1 28 LEU MD2 . . 2.700 2.160 1.793 2.620 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU MD1 1 20 SER H . . 4.940 4.154 4.003 4.485 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU MD1 1 23 ASP QB . . 4.350 2.434 2.052 4.227 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU MD1 1 24 THR H . . 5.500 3.138 2.540 5.484 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU MD1 1 27 ASP HB2 . . 5.500 3.242 2.220 5.506 0.006 9 0 "[ . 1 . 2]" 1
271 1 19 LEU MD1 1 27 ASP HB3 . . 5.500 2.958 2.143 5.376 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU MD1 1 28 LEU H . . 4.010 2.463 2.136 3.856 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU MD1 1 28 LEU HA . . 4.090 3.805 3.554 4.172 0.082 9 0 "[ . 1 . 2]" 1
274 1 19 LEU MD1 1 28 LEU HB2 . . 4.640 3.544 2.284 3.916 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU MD1 1 28 LEU MD2 . . 3.190 2.261 1.801 2.784 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU MD2 1 20 SER H . . 4.940 3.781 3.640 3.928 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU MD2 1 23 ASP QB . . 4.350 3.846 3.017 4.149 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU MD2 1 24 THR H . . 5.500 5.374 4.865 5.530 0.030 19 0 "[ . 1 . 2]" 1
279 1 19 LEU MD2 1 27 ASP HB2 . . 5.500 4.966 4.093 5.544 0.044 7 0 "[ . 1 . 2]" 1
280 1 19 LEU MD2 1 27 ASP HB3 . . 5.500 4.307 3.561 4.736 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU MD2 1 28 LEU H . . 4.010 3.856 3.508 4.039 0.029 11 0 "[ . 1 . 2]" 1
282 1 19 LEU MD2 1 28 LEU HA . . 4.090 4.011 3.414 4.160 0.070 18 0 "[ . 1 . 2]" 1
283 1 19 LEU MD2 1 28 LEU HB2 . . 4.640 3.376 2.892 3.757 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU MD2 1 28 LEU MD2 . . 3.190 2.894 2.571 3.294 0.104 9 0 "[ . 1 . 2]" 1
285 1 20 SER H 1 20 SER HB2 . . 4.190 2.541 2.249 3.589 . 0 0 "[ . 1 . 2]" 1
286 1 20 SER H 1 20 SER HB3 . . 4.190 3.300 2.400 3.624 . 0 0 "[ . 1 . 2]" 1
287 1 20 SER H 1 21 GLU H . . 5.010 4.603 4.514 4.625 . 0 0 "[ . 1 . 2]" 1
288 1 20 SER H 1 23 ASP H . . 4.410 4.025 3.787 4.323 . 0 0 "[ . 1 . 2]" 1
289 1 20 SER H 1 23 ASP QB . . 3.870 3.111 2.678 3.728 . 0 0 "[ . 1 . 2]" 1
290 1 20 SER HA 1 21 GLU H . . 3.340 2.413 2.347 2.585 . 0 0 "[ . 1 . 2]" 1
291 1 20 SER HA 1 22 ASP H . . 4.520 4.291 4.109 4.441 . 0 0 "[ . 1 . 2]" 1
292 1 20 SER QB 1 21 GLU H . . 3.280 2.589 2.244 3.226 . 0 0 "[ . 1 . 2]" 1
293 1 20 SER HB2 1 21 GLU H . . 4.090 3.596 2.283 4.036 . 0 0 "[ . 1 . 2]" 1
294 1 20 SER HB3 1 21 GLU H . . 4.090 2.781 2.266 3.983 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLU H 1 21 GLU QB . . 3.310 2.536 2.334 2.628 . 0 0 "[ . 1 . 2]" 1
296 1 21 GLU H 1 21 GLU HG2 . . 3.730 2.188 1.950 3.600 . 0 0 "[ . 1 . 2]" 1
297 1 21 GLU H 1 21 GLU QG . . 3.260 2.097 1.922 3.286 0.026 6 0 "[ . 1 . 2]" 1
298 1 21 GLU H 1 21 GLU HG3 . . 3.730 3.226 2.099 3.793 0.063 6 0 "[ . 1 . 2]" 1
299 1 21 GLU H 1 22 ASP H . . 3.900 2.680 2.517 2.800 . 0 0 "[ . 1 . 2]" 1
300 1 21 GLU H 1 22 ASP HA . . 5.490 5.266 5.103 5.375 . 0 0 "[ . 1 . 2]" 1
301 1 21 GLU H 1 23 ASP H . . 4.580 4.195 4.037 4.332 . 0 0 "[ . 1 . 2]" 1
302 1 21 GLU H 1 62 GLY H . . 5.500 5.404 5.107 5.539 0.039 17 0 "[ . 1 . 2]" 1
303 1 21 GLU HA 1 23 ASP H . . 4.330 3.981 3.662 4.345 0.015 15 0 "[ . 1 . 2]" 1
304 1 21 GLU HA 1 61 LEU HB2 . . 4.680 3.733 3.063 4.525 . 0 0 "[ . 1 . 2]" 1
305 1 21 GLU HA 1 61 LEU HB3 . . 4.680 2.441 2.013 3.192 . 0 0 "[ . 1 . 2]" 1
306 1 21 GLU HA 1 62 GLY QA . . 4.880 4.536 4.147 4.849 . 0 0 "[ . 1 . 2]" 1
307 1 21 GLU QB 1 22 ASP H . . 3.910 3.448 3.316 3.599 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLU QB 1 62 GLY HA2 . . 4.900 4.469 4.017 4.773 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLU QB 1 62 GLY QA . . 4.050 3.705 3.378 4.068 0.018 17 0 "[ . 1 . 2]" 1
310 1 21 GLU QB 1 62 GLY HA3 . . 4.900 3.960 3.633 4.410 . 0 0 "[ . 1 . 2]" 1
311 1 22 ASP H 1 22 ASP HB2 . . 3.980 2.402 2.215 2.773 . 0 0 "[ . 1 . 2]" 1
312 1 22 ASP H 1 22 ASP QB . . 3.120 2.329 2.150 2.682 . 0 0 "[ . 1 . 2]" 1
313 1 22 ASP H 1 22 ASP HB3 . . 3.980 3.283 2.557 3.591 . 0 0 "[ . 1 . 2]" 1
314 1 22 ASP H 1 23 ASP H . . 3.230 2.676 2.578 2.772 . 0 0 "[ . 1 . 2]" 1
315 1 22 ASP H 1 23 ASP QB . . 4.900 4.806 4.649 4.918 0.018 3 0 "[ . 1 . 2]" 1
316 1 22 ASP HA 1 23 ASP HA . . 4.660 4.609 4.530 4.665 0.005 16 0 "[ . 1 . 2]" 1
317 1 22 ASP QB 1 23 ASP QB . . 4.640 4.291 4.026 4.457 . 0 0 "[ . 1 . 2]" 1
318 1 22 ASP HB2 1 23 ASP H . . 4.120 3.216 2.612 4.121 0.001 2 0 "[ . 1 . 2]" 1
319 1 22 ASP HB3 1 23 ASP H . . 4.120 3.452 2.711 4.025 . 0 0 "[ . 1 . 2]" 1
320 1 23 ASP H 1 23 ASP QB . . 3.070 2.471 2.329 2.683 . 0 0 "[ . 1 . 2]" 1
321 1 23 ASP H 1 24 THR H . . 4.710 4.450 4.357 4.497 . 0 0 "[ . 1 . 2]" 1
322 1 23 ASP HA 1 24 THR H . . 3.280 2.645 2.524 2.726 . 0 0 "[ . 1 . 2]" 1
323 1 23 ASP QB 1 24 THR H . . 3.270 1.981 1.889 2.151 . 0 0 "[ . 1 . 2]" 1
324 1 23 ASP QB 1 27 ASP QB . . 4.390 3.044 2.827 3.256 . 0 0 "[ . 1 . 2]" 1
325 1 24 THR H 1 24 THR HB . . 3.930 3.695 3.485 3.770 . 0 0 "[ . 1 . 2]" 1
326 1 24 THR H 1 24 THR MG . . 3.800 3.622 3.469 3.859 0.059 2 0 "[ . 1 . 2]" 1
327 1 24 THR H 1 26 LEU MD2 . . 4.690 4.512 4.129 4.697 0.007 20 0 "[ . 1 . 2]" 1
328 1 24 THR H 1 27 ASP H . . 4.140 3.572 3.349 3.698 . 0 0 "[ . 1 . 2]" 1
329 1 24 THR H 1 27 ASP HA . . 5.500 5.423 5.191 5.523 0.023 19 0 "[ . 1 . 2]" 1
330 1 24 THR H 1 27 ASP HB2 . . 4.480 2.941 2.799 3.243 . 0 0 "[ . 1 . 2]" 1
331 1 24 THR H 1 27 ASP QB . . 3.730 2.841 2.674 2.981 . 0 0 "[ . 1 . 2]" 1
332 1 24 THR H 1 27 ASP HB3 . . 4.480 4.011 3.285 4.492 0.012 18 0 "[ . 1 . 2]" 1
333 1 24 THR H 1 28 LEU H . . 5.090 4.764 4.594 4.929 . 0 0 "[ . 1 . 2]" 1
334 1 24 THR HA 1 24 THR MG . . 3.250 2.089 1.975 2.184 . 0 0 "[ . 1 . 2]" 1
335 1 24 THR HA 1 25 VAL H . . 3.380 2.500 2.408 2.582 . 0 0 "[ . 1 . 2]" 1
336 1 24 THR HA 1 26 LEU H . . 4.850 4.237 4.111 4.378 . 0 0 "[ . 1 . 2]" 1
337 1 24 THR HA 1 60 LYS HA . . 3.440 3.086 2.614 3.291 . 0 0 "[ . 1 . 2]" 1
338 1 24 THR HA 1 60 LYS HB2 . . 4.840 3.738 3.597 4.024 . 0 0 "[ . 1 . 2]" 1
339 1 24 THR HA 1 60 LYS HB3 . . 4.470 2.768 2.591 3.046 . 0 0 "[ . 1 . 2]" 1
340 1 24 THR HA 1 60 LYS HG3 . . 5.500 5.529 5.495 5.566 0.066 17 0 "[ . 1 . 2]" 1
341 1 24 THR HB 1 25 VAL H . . 3.260 2.278 2.074 2.511 . 0 0 "[ . 1 . 2]" 1
342 1 24 THR HB 1 26 LEU HA . . 5.500 4.949 4.809 5.061 . 0 0 "[ . 1 . 2]" 1
343 1 24 THR HB 1 26 LEU MD2 . . 4.920 2.558 2.218 2.824 . 0 0 "[ . 1 . 2]" 1
344 1 24 THR HB 1 60 LYS HA . . 5.070 4.944 4.442 5.093 0.023 16 0 "[ . 1 . 2]" 1
345 1 24 THR MG 1 25 VAL H . . 3.790 2.971 2.402 3.119 . 0 0 "[ . 1 . 2]" 1
346 1 24 THR MG 1 26 LEU MD2 . . 3.340 2.938 2.734 3.184 . 0 0 "[ . 1 . 2]" 1
347 1 24 THR MG 1 27 ASP H . . 5.250 5.023 4.867 5.114 . 0 0 "[ . 1 . 2]" 1
348 1 24 THR MG 1 60 LYS HA . . 4.090 3.496 3.117 3.785 . 0 0 "[ . 1 . 2]" 1
349 1 24 THR MG 1 60 LYS QE . . 4.030 3.386 2.687 4.026 . 0 0 "[ . 1 . 2]" 1
350 1 24 THR MG 1 60 LYS HG2 . . 3.890 3.095 2.742 3.480 . 0 0 "[ . 1 . 2]" 1
351 1 24 THR MG 1 60 LYS HG3 . . 4.300 4.174 3.806 4.341 0.041 19 0 "[ . 1 . 2]" 1
352 1 25 VAL H 1 25 VAL HB . . 3.300 2.437 2.375 2.484 . 0 0 "[ . 1 . 2]" 1
353 1 25 VAL H 1 25 VAL MG1 . . 3.870 3.747 3.728 3.758 . 0 0 "[ . 1 . 2]" 1
354 1 25 VAL H 1 25 VAL MG2 . . 2.990 2.326 2.162 2.590 . 0 0 "[ . 1 . 2]" 1
355 1 25 VAL H 1 26 LEU H . . 3.510 2.599 2.494 2.759 . 0 0 "[ . 1 . 2]" 1
356 1 25 VAL H 1 57 ASN HA . . 4.280 4.107 3.814 4.306 0.026 19 0 "[ . 1 . 2]" 1
357 1 25 VAL H 1 59 VAL H . . 5.240 4.736 4.541 4.882 . 0 0 "[ . 1 . 2]" 1
358 1 25 VAL H 1 59 VAL HB . . 4.940 3.862 3.484 4.229 . 0 0 "[ . 1 . 2]" 1
359 1 25 VAL H 1 60 LYS HB2 . . 5.400 5.263 5.080 5.412 0.012 5 0 "[ . 1 . 2]" 1
360 1 25 VAL H 1 60 LYS HB3 . . 5.120 3.916 3.737 4.192 . 0 0 "[ . 1 . 2]" 1
361 1 25 VAL HA 1 25 VAL MG1 . . 3.630 2.409 2.367 2.457 . 0 0 "[ . 1 . 2]" 1
362 1 25 VAL HA 1 25 VAL MG2 . . 3.290 2.260 2.204 2.325 . 0 0 "[ . 1 . 2]" 1
363 1 25 VAL HA 1 28 LEU H . . 3.880 3.680 3.296 3.862 . 0 0 "[ . 1 . 2]" 1
364 1 25 VAL HA 1 28 LEU HB3 . . 5.360 4.005 3.370 4.324 . 0 0 "[ . 1 . 2]" 1
365 1 25 VAL HA 1 28 LEU MD2 . . 3.670 2.012 1.943 2.131 . 0 0 "[ . 1 . 2]" 1
366 1 25 VAL HA 1 28 LEU HG . . 5.130 2.887 2.628 3.143 . 0 0 "[ . 1 . 2]" 1
367 1 25 VAL HA 1 29 LYS H . . 4.620 4.030 3.822 4.197 . 0 0 "[ . 1 . 2]" 1
368 1 25 VAL HB 1 26 LEU H . . 3.560 2.970 2.862 3.047 . 0 0 "[ . 1 . 2]" 1
369 1 25 VAL HB 1 27 ASP H . . 5.500 5.241 5.159 5.338 . 0 0 "[ . 1 . 2]" 1
370 1 25 VAL HB 1 57 ASN HA . . 3.570 2.861 2.726 3.158 . 0 0 "[ . 1 . 2]" 1
371 1 25 VAL HB 1 59 VAL H . . 3.950 3.957 3.850 3.996 0.046 15 0 "[ . 1 . 2]" 1
372 1 25 VAL HB 1 59 VAL MG1 . . 4.920 3.758 3.623 3.880 . 0 0 "[ . 1 . 2]" 1
373 1 25 VAL HB 1 59 VAL QG . . 3.660 3.439 3.258 3.524 . 0 0 "[ . 1 . 2]" 1
374 1 25 VAL HB 1 59 VAL MG2 . . 4.920 3.994 3.693 4.219 . 0 0 "[ . 1 . 2]" 1
375 1 25 VAL MG1 1 28 LEU MD1 . . 3.990 2.956 2.630 3.237 . 0 0 "[ . 1 . 2]" 1
376 1 25 VAL MG1 1 28 LEU HG . . 3.730 2.667 2.382 2.891 . 0 0 "[ . 1 . 2]" 1
377 1 25 VAL MG1 1 29 LYS H . . 3.990 3.510 3.324 3.707 . 0 0 "[ . 1 . 2]" 1
378 1 25 VAL MG1 1 55 ALA MB . . 4.270 2.772 2.317 3.047 . 0 0 "[ . 1 . 2]" 1
379 1 25 VAL MG1 1 57 ASN H . . 5.200 5.200 4.971 5.250 0.050 9 0 "[ . 1 . 2]" 1
380 1 25 VAL MG1 1 57 ASN HA . . 3.720 3.491 3.156 3.739 0.019 17 0 "[ . 1 . 2]" 1
381 1 25 VAL MG1 1 59 VAL MG1 . . 4.440 3.614 3.523 3.702 . 0 0 "[ . 1 . 2]" 1
382 1 25 VAL MG1 1 59 VAL QG . . 3.280 3.314 3.281 3.360 0.080 20 0 "[ . 1 . 2]" 1
383 1 25 VAL MG1 1 59 VAL MG2 . . 4.440 3.861 3.700 3.994 . 0 0 "[ . 1 . 2]" 1
384 1 25 VAL MG2 1 28 LEU MD2 . . 3.070 2.588 2.230 2.933 . 0 0 "[ . 1 . 2]" 1
385 1 25 VAL MG2 1 55 ALA MB . . 3.780 3.628 3.069 3.819 0.039 2 0 "[ . 1 . 2]" 1
386 1 25 VAL MG2 1 59 VAL H . . 4.350 3.945 3.805 4.171 . 0 0 "[ . 1 . 2]" 1
387 1 25 VAL MG2 1 59 VAL HB . . 4.070 1.964 1.928 2.021 . 0 0 "[ . 1 . 2]" 1
388 1 25 VAL MG2 1 59 VAL QG . . 3.330 1.862 1.809 1.912 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU H 1 26 LEU HB2 . . 3.750 3.576 3.546 3.584 . 0 0 "[ . 1 . 2]" 1
390 1 26 LEU H 1 26 LEU QB . . 3.050 2.446 2.266 2.580 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU H 1 26 LEU HB3 . . 3.750 2.492 2.293 2.646 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU H 1 26 LEU MD2 . . 3.440 3.043 2.906 3.181 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU H 1 26 LEU HG . . 4.030 2.296 1.997 2.729 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU H 1 27 ASP H . . 3.560 2.728 2.653 2.795 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU H 1 57 ASN HA . . 3.530 3.070 2.703 3.338 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU H 1 57 ASN HB2 . . 4.920 3.650 3.292 3.971 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU H 1 57 ASN HB3 . . 4.430 4.359 4.191 4.449 0.019 13 0 "[ . 1 . 2]" 1
398 1 26 LEU HA 1 26 LEU MD1 . . 4.150 3.600 3.455 3.696 . 0 0 "[ . 1 . 2]" 1
399 1 26 LEU HA 1 26 LEU MD2 . . 4.640 4.049 4.003 4.100 . 0 0 "[ . 1 . 2]" 1
400 1 26 LEU HA 1 29 LYS H . . 3.910 3.706 3.434 3.842 . 0 0 "[ . 1 . 2]" 1
401 1 26 LEU HA 1 29 LYS QB . . 4.360 2.418 2.245 2.844 . 0 0 "[ . 1 . 2]" 1
402 1 26 LEU QB 1 27 ASP H . . 3.690 3.430 3.357 3.479 . 0 0 "[ . 1 . 2]" 1
403 1 26 LEU QB 1 57 ASN HB2 . . 4.430 2.056 1.977 2.497 . 0 0 "[ . 1 . 2]" 1
404 1 26 LEU QB 1 57 ASN HB3 . . 4.270 2.549 2.371 2.714 . 0 0 "[ . 1 . 2]" 1
405 1 26 LEU HB2 1 26 LEU MD1 . . 3.610 2.053 1.985 2.122 . 0 0 "[ . 1 . 2]" 1
406 1 26 LEU HB2 1 27 ASP H . . 4.340 3.788 3.602 3.975 . 0 0 "[ . 1 . 2]" 1
407 1 26 LEU HB3 1 26 LEU MD1 . . 3.610 3.111 3.081 3.124 . 0 0 "[ . 1 . 2]" 1
408 1 26 LEU HB3 1 27 ASP H . . 4.340 3.934 3.817 4.024 . 0 0 "[ . 1 . 2]" 1
409 1 26 LEU MD1 1 27 ASP H . . 4.500 2.571 2.367 2.916 . 0 0 "[ . 1 . 2]" 1
410 1 26 LEU MD2 1 27 ASP H . . 4.870 3.835 3.705 3.941 . 0 0 "[ . 1 . 2]" 1
411 1 26 LEU MD2 1 57 ASN HB2 . . 4.550 2.273 1.939 2.630 . 0 0 "[ . 1 . 2]" 1
412 1 26 LEU MD2 1 57 ASN HB3 . . 4.450 3.534 3.155 3.785 . 0 0 "[ . 1 . 2]" 1
413 1 26 LEU HG 1 27 ASP H . . 4.340 2.131 1.953 2.300 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU HG 1 57 ASN HA . . 5.000 4.793 4.464 5.010 0.010 14 0 "[ . 1 . 2]" 1
415 1 27 ASP H 1 27 ASP HB2 . . 3.700 2.269 2.170 2.498 . 0 0 "[ . 1 . 2]" 1
416 1 27 ASP H 1 27 ASP QB . . 3.150 2.189 2.146 2.254 . 0 0 "[ . 1 . 2]" 1
417 1 27 ASP H 1 27 ASP HB3 . . 3.700 3.145 2.565 3.540 . 0 0 "[ . 1 . 2]" 1
418 1 27 ASP H 1 28 LEU H . . 3.260 2.975 2.659 3.149 . 0 0 "[ . 1 . 2]" 1
419 1 27 ASP HA 1 28 LEU HA . . 4.940 4.780 4.742 4.796 . 0 0 "[ . 1 . 2]" 1
420 1 27 ASP HA 1 30 GLN H . . 3.930 3.816 3.598 3.939 0.009 2 0 "[ . 1 . 2]" 1
421 1 27 ASP HA 1 30 GLN QB . . 3.980 3.585 2.912 4.057 0.077 11 0 "[ . 1 . 2]" 1
422 1 27 ASP QB 1 28 LEU H . . 3.660 2.121 1.924 2.532 . 0 0 "[ . 1 . 2]" 1
423 1 28 LEU H 1 28 LEU HB2 . . 3.670 3.529 3.496 3.552 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU H 1 28 LEU HB3 . . 3.050 2.252 2.187 2.310 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU H 1 28 LEU MD1 . . 4.400 4.086 4.009 4.165 . 0 0 "[ . 1 . 2]" 1
426 1 28 LEU H 1 28 LEU MD2 . . 3.460 3.214 3.021 3.326 . 0 0 "[ . 1 . 2]" 1
427 1 28 LEU H 1 28 LEU HG . . 3.700 2.841 2.687 3.009 . 0 0 "[ . 1 . 2]" 1
428 1 28 LEU H 1 29 LYS H . . 3.390 2.756 2.567 2.815 . 0 0 "[ . 1 . 2]" 1
429 1 28 LEU H 1 29 LYS HA . . 5.490 5.320 5.149 5.366 . 0 0 "[ . 1 . 2]" 1
430 1 28 LEU HA 1 28 LEU MD1 . . 3.470 3.441 3.275 3.505 0.035 12 0 "[ . 1 . 2]" 1
431 1 28 LEU HA 1 31 PHE HA . . 5.500 5.086 4.894 5.478 . 0 0 "[ . 1 . 2]" 1
432 1 28 LEU HA 1 31 PHE QB . . 4.220 2.220 1.983 2.689 . 0 0 "[ . 1 . 2]" 1
433 1 28 LEU HB2 1 29 LYS H . . 4.280 4.032 3.924 4.218 . 0 0 "[ . 1 . 2]" 1
434 1 28 LEU HB3 1 28 LEU MD1 . . 3.440 3.112 3.101 3.126 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU HB3 1 29 LYS H . . 3.970 3.789 3.661 3.877 . 0 0 "[ . 1 . 2]" 1
436 1 28 LEU MD1 1 31 PHE QB . . 5.200 4.110 3.888 4.254 . 0 0 "[ . 1 . 2]" 1
437 1 28 LEU MD1 1 32 LEU MD1 . . 2.940 2.052 1.853 2.374 . 0 0 "[ . 1 . 2]" 1
438 1 28 LEU MD1 1 32 LEU MD2 . . 3.180 3.176 3.027 3.297 0.117 10 0 "[ . 1 . 2]" 1
439 1 28 LEU MD2 1 29 LYS H . . 4.400 3.740 3.683 3.851 . 0 0 "[ . 1 . 2]" 1
440 1 28 LEU HG 1 29 LYS H . . 3.180 2.077 1.965 2.346 . 0 0 "[ . 1 . 2]" 1
441 1 29 LYS H 1 29 LYS HB2 . . 3.510 2.428 2.127 3.489 . 0 0 "[ . 1 . 2]" 1
442 1 29 LYS H 1 29 LYS QB . . 3.070 2.200 2.108 2.249 . 0 0 "[ . 1 . 2]" 1
443 1 29 LYS H 1 29 LYS HB3 . . 3.510 2.776 2.180 3.506 . 0 0 "[ . 1 . 2]" 1
444 1 29 LYS H 1 30 GLN H . . 3.680 2.882 2.561 3.019 . 0 0 "[ . 1 . 2]" 1
445 1 29 LYS QB 1 30 GLN H . . 3.850 2.385 2.102 3.462 . 0 0 "[ . 1 . 2]" 1
446 1 30 GLN H 1 30 GLN HB2 . . 3.660 2.590 2.202 3.551 . 0 0 "[ . 1 . 2]" 1
447 1 30 GLN H 1 30 GLN QB . . 3.080 2.303 2.180 2.487 . 0 0 "[ . 1 . 2]" 1
448 1 30 GLN H 1 30 GLN HB3 . . 3.660 3.297 2.202 3.589 . 0 0 "[ . 1 . 2]" 1
449 1 30 GLN H 1 30 GLN HG2 . . 3.780 3.236 2.625 3.784 0.004 7 0 "[ . 1 . 2]" 1
450 1 30 GLN H 1 30 GLN HG3 . . 3.780 2.929 2.259 3.939 0.159 13 0 "[ . 1 . 2]" 1
451 1 30 GLN H 1 31 PHE H . . 3.550 2.624 2.460 2.700 . 0 0 "[ . 1 . 2]" 1
452 1 30 GLN H 1 31 PHE QB . . 4.670 4.394 4.212 4.483 . 0 0 "[ . 1 . 2]" 1
453 1 30 GLN H 1 32 LEU H . . 4.380 4.184 3.935 4.396 0.016 4 0 "[ . 1 . 2]" 1
454 1 30 GLN HA 1 33 LYS HA . . 5.500 5.424 5.159 5.620 0.120 12 0 "[ . 1 . 2]" 1
455 1 30 GLN HA 1 33 LYS HB2 . . 4.780 3.663 2.811 4.759 . 0 0 "[ . 1 . 2]" 1
456 1 30 GLN HA 1 33 LYS QB . . 4.030 2.874 2.255 3.797 . 0 0 "[ . 1 . 2]" 1
457 1 30 GLN HA 1 33 LYS HB3 . . 4.780 3.537 2.275 4.548 . 0 0 "[ . 1 . 2]" 1
458 1 30 GLN QB 1 31 PHE QB . . 5.020 4.438 3.969 5.032 0.012 13 0 "[ . 1 . 2]" 1
459 1 31 PHE H 1 31 PHE QB . . 2.870 2.141 2.094 2.163 . 0 0 "[ . 1 . 2]" 1
460 1 31 PHE H 1 32 LEU H . . 3.540 2.573 2.444 2.720 . 0 0 "[ . 1 . 2]" 1
461 1 31 PHE H 1 32 LEU HA . . 5.500 5.202 5.095 5.323 . 0 0 "[ . 1 . 2]" 1
462 1 31 PHE H 1 32 LEU MD2 . . 5.070 5.092 5.052 5.117 0.047 13 0 "[ . 1 . 2]" 1
463 1 31 PHE H 1 32 LEU HG . . 4.560 4.409 4.354 4.536 . 0 0 "[ . 1 . 2]" 1
464 1 31 PHE H 1 33 LYS H . . 4.330 4.050 3.921 4.198 . 0 0 "[ . 1 . 2]" 1
465 1 31 PHE HA 1 31 PHE HD1 . . 4.540 2.762 2.224 3.262 . 0 0 "[ . 1 . 2]" 1
466 1 31 PHE HA 1 34 THR HB . . 4.740 4.492 3.875 4.796 0.056 8 0 "[ . 1 . 2]" 1
467 1 31 PHE HA 1 34 THR MG . . 4.650 3.123 1.873 3.949 . 0 0 "[ . 1 . 2]" 1
468 1 31 PHE QB 1 32 LEU H . . 3.350 2.798 2.619 2.959 . 0 0 "[ . 1 . 2]" 1
469 1 31 PHE QB 1 32 LEU HA . . 4.690 3.873 3.820 3.937 . 0 0 "[ . 1 . 2]" 1
470 1 31 PHE QB 1 32 LEU MD2 . . 4.110 3.395 3.173 3.585 . 0 0 "[ . 1 . 2]" 1
471 1 31 PHE QB 1 36 THR MG . . 5.500 5.576 5.524 5.717 0.217 8 0 "[ . 1 . 2]" 1
472 1 32 LEU H 1 32 LEU HB2 . . 3.450 2.402 2.339 2.541 . 0 0 "[ . 1 . 2]" 1
473 1 32 LEU H 1 32 LEU HB3 . . 3.640 3.584 3.575 3.598 . 0 0 "[ . 1 . 2]" 1
474 1 32 LEU H 1 32 LEU MD2 . . 3.540 3.299 3.088 3.475 . 0 0 "[ . 1 . 2]" 1
475 1 32 LEU H 1 32 LEU HG . . 3.200 2.491 2.205 2.670 . 0 0 "[ . 1 . 2]" 1
476 1 32 LEU H 1 33 LYS H . . 3.600 2.504 2.417 2.610 . 0 0 "[ . 1 . 2]" 1
477 1 32 LEU H 1 33 LYS QD . . 5.340 5.103 4.440 5.467 0.127 17 0 "[ . 1 . 2]" 1
478 1 32 LEU H 1 35 LEU QB . . 5.340 4.525 4.330 4.765 . 0 0 "[ . 1 . 2]" 1
479 1 32 LEU HA 1 32 LEU MD1 . . 4.530 3.808 3.791 3.862 . 0 0 "[ . 1 . 2]" 1
480 1 32 LEU HA 1 32 LEU MD2 . . 3.050 2.054 1.952 2.099 . 0 0 "[ . 1 . 2]" 1
481 1 32 LEU HA 1 33 LYS HA . . 4.970 4.750 4.736 4.791 . 0 0 "[ . 1 . 2]" 1
482 1 32 LEU HA 1 35 LEU H . . 4.060 3.310 3.217 3.377 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU HA 1 35 LEU QB . . 4.090 2.504 2.218 2.769 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU HA 1 36 THR MG . . 4.620 2.650 2.487 2.841 . 0 0 "[ . 1 . 2]" 1
485 1 32 LEU HB2 1 36 THR MG . . 5.270 4.459 4.078 4.807 . 0 0 "[ . 1 . 2]" 1
486 1 32 LEU HB3 1 32 LEU MD2 . . 2.740 2.390 2.365 2.433 . 0 0 "[ . 1 . 2]" 1
487 1 32 LEU HB3 1 33 LYS H . . 3.890 3.710 3.523 3.910 0.020 4 0 "[ . 1 . 2]" 1
488 1 32 LEU MD1 1 39 LEU QD . . 3.840 2.053 1.789 2.511 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU MD2 1 36 THR MG . . 3.920 2.705 2.535 3.011 . 0 0 "[ . 1 . 2]" 1
490 1 32 LEU MD2 1 39 LEU MD1 . . 4.510 3.229 2.539 3.913 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU MD2 1 39 LEU QD . . 3.810 3.016 2.512 3.582 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU MD2 1 39 LEU MD2 . . 4.510 3.951 3.069 4.408 . 0 0 "[ . 1 . 2]" 1
493 1 32 LEU HG 1 39 LEU QD . . 4.030 3.844 3.622 4.089 0.059 19 0 "[ . 1 . 2]" 1
494 1 33 LYS H 1 33 LYS HB2 . . 3.630 2.919 2.476 3.600 . 0 0 "[ . 1 . 2]" 1
495 1 33 LYS H 1 33 LYS QB . . 3.080 2.341 2.130 2.617 . 0 0 "[ . 1 . 2]" 1
496 1 33 LYS H 1 33 LYS HB3 . . 3.630 2.811 2.180 3.604 . 0 0 "[ . 1 . 2]" 1
497 1 33 LYS H 1 33 LYS QD . . 4.230 3.501 3.154 3.987 . 0 0 "[ . 1 . 2]" 1
498 1 33 LYS H 1 33 LYS QG . . 4.610 2.913 1.900 4.025 . 0 0 "[ . 1 . 2]" 1
499 1 33 LYS H 1 34 THR H . . 3.650 2.514 2.472 2.626 . 0 0 "[ . 1 . 2]" 1
500 1 33 LYS H 1 34 THR MG . . 4.510 4.051 3.636 4.523 0.013 17 0 "[ . 1 . 2]" 1
501 1 33 LYS H 1 37 GLY H . . 4.690 4.440 4.252 4.869 0.179 14 0 "[ . 1 . 2]" 1
502 1 33 LYS HA 1 37 GLY H . . 3.810 2.536 2.354 2.910 . 0 0 "[ . 1 . 2]" 1
503 1 33 LYS HA 1 37 GLY HA2 . . 4.940 2.343 1.938 3.444 . 0 0 "[ . 1 . 2]" 1
504 1 33 LYS HA 1 37 GLY QA . . 4.270 2.321 1.927 3.382 . 0 0 "[ . 1 . 2]" 1
505 1 33 LYS HA 1 37 GLY HA3 . . 4.940 3.841 3.380 4.939 . 0 0 "[ . 1 . 2]" 1
506 1 33 LYS QB 1 34 THR H . . 3.530 2.978 2.693 3.587 0.057 7 0 "[ . 1 . 2]" 1
507 1 33 LYS HB2 1 34 THR H . . 4.290 3.607 2.753 4.252 . 0 0 "[ . 1 . 2]" 1
508 1 33 LYS HB3 1 34 THR H . . 4.290 3.543 2.938 4.116 . 0 0 "[ . 1 . 2]" 1
509 1 33 LYS QD 1 34 THR H . . 5.020 3.639 2.579 4.550 . 0 0 "[ . 1 . 2]" 1
510 1 33 LYS QD 1 34 THR MG . . 4.030 3.474 1.879 4.077 0.047 8 0 "[ . 1 . 2]" 1
511 1 34 THR H 1 34 THR HB . . 3.820 3.369 2.644 3.670 . 0 0 "[ . 1 . 2]" 1
512 1 34 THR H 1 34 THR MG . . 3.270 2.345 1.923 2.836 . 0 0 "[ . 1 . 2]" 1
513 1 34 THR H 1 35 LEU H . . 3.580 2.277 2.255 2.295 . 0 0 "[ . 1 . 2]" 1
514 1 34 THR H 1 37 GLY H . . 4.310 4.138 4.019 4.312 0.002 8 0 "[ . 1 . 2]" 1
515 1 34 THR H 1 37 GLY QA . . 5.110 4.614 4.474 4.924 . 0 0 "[ . 1 . 2]" 1
516 1 34 THR HA 1 34 THR MG . . 3.470 2.605 2.161 3.208 . 0 0 "[ . 1 . 2]" 1
517 1 34 THR HA 1 36 THR H . . 5.120 4.811 4.742 4.908 . 0 0 "[ . 1 . 2]" 1
518 1 35 LEU H 1 35 LEU HB2 . . 3.590 2.612 2.144 2.888 . 0 0 "[ . 1 . 2]" 1
519 1 35 LEU H 1 35 LEU QB . . 2.810 2.234 2.123 2.282 . 0 0 "[ . 1 . 2]" 1
520 1 35 LEU H 1 35 LEU HB3 . . 3.590 2.590 2.278 3.465 . 0 0 "[ . 1 . 2]" 1
521 1 35 LEU H 1 35 LEU MD1 . . 5.100 4.050 2.833 4.319 . 0 0 "[ . 1 . 2]" 1
522 1 35 LEU H 1 35 LEU QD . . 4.320 3.616 2.801 3.787 . 0 0 "[ . 1 . 2]" 1
523 1 35 LEU H 1 35 LEU MD2 . . 5.100 4.182 4.054 4.436 . 0 0 "[ . 1 . 2]" 1
524 1 35 LEU H 1 36 THR H . . 3.620 2.449 2.431 2.534 . 0 0 "[ . 1 . 2]" 1
525 1 35 LEU H 1 36 THR MG . . 4.580 3.865 3.757 3.953 . 0 0 "[ . 1 . 2]" 1
526 1 35 LEU H 1 37 GLY H . . 4.510 3.651 3.613 3.705 . 0 0 "[ . 1 . 2]" 1
527 1 35 LEU HA 1 35 LEU QD . . 2.970 2.601 1.953 2.997 0.027 13 0 "[ . 1 . 2]" 1
528 1 35 LEU QB 1 35 LEU QD . . 2.710 1.834 1.728 1.964 . 0 0 "[ . 1 . 2]" 1
529 1 35 LEU QB 1 36 THR H . . 3.550 2.460 2.391 2.572 . 0 0 "[ . 1 . 2]" 1
530 1 35 LEU QB 1 36 THR MG . . 3.560 2.573 2.283 2.934 . 0 0 "[ . 1 . 2]" 1
531 1 35 LEU QD 1 36 THR H . . 4.690 3.423 2.611 4.010 . 0 0 "[ . 1 . 2]" 1
532 1 35 LEU QD 1 36 THR MG . . 4.170 2.285 1.783 3.618 . 0 0 "[ . 1 . 2]" 1
533 1 35 LEU MD1 1 36 THR H . . 5.440 4.316 2.642 4.713 . 0 0 "[ . 1 . 2]" 1
534 1 35 LEU MD2 1 36 THR H . . 5.440 3.805 3.259 4.648 . 0 0 "[ . 1 . 2]" 1
535 1 36 THR H 1 36 THR MG . . 3.630 2.133 1.996 2.247 . 0 0 "[ . 1 . 2]" 1
536 1 36 THR H 1 37 GLY H . . 3.390 2.143 1.969 2.375 . 0 0 "[ . 1 . 2]" 1
537 1 36 THR H 1 37 GLY QA . . 4.680 3.982 3.812 4.211 . 0 0 "[ . 1 . 2]" 1
538 1 36 THR H 1 39 LEU MD1 . . 5.500 4.867 4.475 5.228 . 0 0 "[ . 1 . 2]" 1
539 1 36 THR H 1 39 LEU MD2 . . 5.500 5.267 4.707 5.553 0.053 16 0 "[ . 1 . 2]" 1
540 1 36 THR HA 1 36 THR MG . . 3.420 2.623 2.509 3.161 . 0 0 "[ . 1 . 2]" 1
541 1 36 THR HA 1 39 LEU QD . . 5.440 4.989 4.668 5.437 . 0 0 "[ . 1 . 2]" 1
542 1 36 THR HB 1 38 VAL H . . 4.340 3.409 3.229 4.245 . 0 0 "[ . 1 . 2]" 1
543 1 36 THR HB 1 38 VAL QG . . 3.800 2.501 2.049 3.643 . 0 0 "[ . 1 . 2]" 1
544 1 36 THR HB 1 39 LEU QD . . 4.830 3.423 2.951 4.335 . 0 0 "[ . 1 . 2]" 1
545 1 36 THR MG 1 38 VAL QG . . 4.120 3.593 3.280 4.180 0.060 19 0 "[ . 1 . 2]" 1
546 1 36 THR MG 1 39 LEU HB2 . . 5.500 5.393 4.757 5.568 0.068 2 0 "[ . 1 . 2]" 1
547 1 36 THR MG 1 39 LEU QD . . 3.520 2.785 2.417 3.127 . 0 0 "[ . 1 . 2]" 1
548 1 36 THR MG 1 39 LEU HG . . 5.480 4.022 2.745 5.513 0.033 10 0 "[ . 1 . 2]" 1
549 1 37 GLY H 1 38 VAL H . . 3.520 2.813 2.767 2.854 . 0 0 "[ . 1 . 2]" 1
550 1 37 GLY QA 1 38 VAL HA . . 4.610 4.009 4.001 4.032 . 0 0 "[ . 1 . 2]" 1
551 1 38 VAL H 1 38 VAL HB . . 3.750 2.913 2.529 3.121 . 0 0 "[ . 1 . 2]" 1
552 1 38 VAL H 1 38 VAL MG1 . . 4.160 2.604 1.914 3.885 . 0 0 "[ . 1 . 2]" 1
553 1 38 VAL H 1 38 VAL QG . . 3.180 2.258 1.909 2.770 . 0 0 "[ . 1 . 2]" 1
554 1 38 VAL H 1 38 VAL MG2 . . 4.160 3.559 2.674 3.957 . 0 0 "[ . 1 . 2]" 1
555 1 38 VAL H 1 39 LEU H . . 4.540 1.891 1.854 2.067 . 0 0 "[ . 1 . 2]" 1
556 1 38 VAL H 1 39 LEU HB3 . . 5.500 5.352 5.246 5.513 0.013 8 0 "[ . 1 . 2]" 1
557 1 38 VAL H 1 40 PRO HD2 . . 3.970 2.936 2.696 3.251 . 0 0 "[ . 1 . 2]" 1
558 1 38 VAL HA 1 38 VAL MG1 . . 3.440 2.924 2.234 3.201 . 0 0 "[ . 1 . 2]" 1
559 1 38 VAL HA 1 38 VAL MG2 . . 3.440 2.257 2.165 2.395 . 0 0 "[ . 1 . 2]" 1
560 1 38 VAL HA 1 40 PRO HD2 . . 4.450 3.496 3.161 3.765 . 0 0 "[ . 1 . 2]" 1
561 1 38 VAL HB 1 39 LEU QD . . 4.960 4.071 2.698 5.063 0.103 17 0 "[ . 1 . 2]" 1
562 1 38 VAL QG 1 39 LEU H . . 3.670 2.710 2.068 3.499 . 0 0 "[ . 1 . 2]" 1
563 1 38 VAL QG 1 39 LEU QD . . 3.810 2.518 1.843 3.502 . 0 0 "[ . 1 . 2]" 1
564 1 38 VAL QG 1 42 ARG H . . 4.220 2.581 1.921 3.042 . 0 0 "[ . 1 . 2]" 1
565 1 38 VAL QG 1 42 ARG QG . . 3.860 3.083 2.147 3.884 0.024 12 0 "[ . 1 . 2]" 1
566 1 38 VAL QG 1 43 GLN H . . 5.250 4.683 4.310 5.135 . 0 0 "[ . 1 . 2]" 1
567 1 38 VAL QG 1 43 GLN HA . . 4.000 3.654 3.120 4.044 0.044 9 0 "[ . 1 . 2]" 1
568 1 38 VAL QG 1 43 GLN QG . . 4.990 4.309 3.417 5.024 0.034 14 0 "[ . 1 . 2]" 1
569 1 38 VAL QG 1 44 LYS H . . 5.440 5.101 4.515 5.453 0.013 1 0 "[ . 1 . 2]" 1
570 1 38 VAL QG 1 77 THR H . . 4.630 4.178 3.649 4.610 . 0 0 "[ . 1 . 2]" 1
571 1 38 VAL QG 1 77 THR HA . . 4.360 2.104 1.790 2.775 . 0 0 "[ . 1 . 2]" 1
572 1 38 VAL QG 1 78 ARG HA . . 3.720 3.220 2.310 3.737 0.017 4 0 "[ . 1 . 2]" 1
573 1 38 VAL QG 1 78 ARG QB . . 4.180 3.065 1.975 4.158 . 0 0 "[ . 1 . 2]" 1
574 1 38 VAL QG 1 78 ARG QG . . 4.090 3.567 1.991 4.105 0.015 9 0 "[ . 1 . 2]" 1
575 1 38 VAL MG1 1 39 LEU H . . 4.250 2.829 2.076 3.925 . 0 0 "[ . 1 . 2]" 1
576 1 38 VAL MG1 1 78 ARG HA . . 4.660 3.812 2.866 4.569 . 0 0 "[ . 1 . 2]" 1
577 1 38 VAL MG2 1 39 LEU H . . 4.250 3.980 3.742 4.224 . 0 0 "[ . 1 . 2]" 1
578 1 38 VAL MG2 1 78 ARG HA . . 4.660 3.562 2.391 4.650 . 0 0 "[ . 1 . 2]" 1
579 1 39 LEU H 1 39 LEU HB2 . . 3.560 2.601 2.145 2.860 . 0 0 "[ . 1 . 2]" 1
580 1 39 LEU H 1 39 LEU HB3 . . 3.560 3.539 3.466 3.585 0.025 14 0 "[ . 1 . 2]" 1
581 1 39 LEU H 1 39 LEU MD1 . . 4.150 3.264 2.022 3.854 . 0 0 "[ . 1 . 2]" 1
582 1 39 LEU H 1 39 LEU QD . . 3.470 2.346 2.014 2.927 . 0 0 "[ . 1 . 2]" 1
583 1 39 LEU H 1 39 LEU MD2 . . 4.150 2.821 2.251 3.880 . 0 0 "[ . 1 . 2]" 1
584 1 39 LEU H 1 39 LEU HG . . 3.880 2.533 1.905 4.125 0.245 15 0 "[ . 1 . 2]" 1
585 1 39 LEU HA 1 39 LEU MD1 . . 4.080 3.475 2.294 3.877 . 0 0 "[ . 1 . 2]" 1
586 1 39 LEU HA 1 39 LEU QD . . 3.580 2.200 1.926 2.443 . 0 0 "[ . 1 . 2]" 1
587 1 39 LEU HA 1 39 LEU MD2 . . 4.080 2.559 1.932 3.806 . 0 0 "[ . 1 . 2]" 1
588 1 39 LEU HA 1 39 LEU HG . . 4.260 3.235 2.500 3.552 . 0 0 "[ . 1 . 2]" 1
589 1 39 LEU HA 1 77 THR HA . . 5.500 5.333 4.581 5.536 0.036 13 0 "[ . 1 . 2]" 1
590 1 39 LEU HA 1 77 THR MG . . 4.620 3.681 2.919 4.409 . 0 0 "[ . 1 . 2]" 1
591 1 39 LEU HB2 1 41 GLU H . . 4.630 4.548 4.502 4.613 . 0 0 "[ . 1 . 2]" 1
592 1 39 LEU HB3 1 49 LYS QG . . 4.470 3.942 2.417 4.592 0.122 10 0 "[ . 1 . 2]" 1
593 1 39 LEU QD 1 40 PRO QB . . 5.230 5.027 4.953 5.146 . 0 0 "[ . 1 . 2]" 1
594 1 39 LEU QD 1 40 PRO HD2 . . 4.510 3.702 3.525 4.023 . 0 0 "[ . 1 . 2]" 1
595 1 39 LEU QD 1 40 PRO HD3 . . 3.920 3.378 3.264 3.643 . 0 0 "[ . 1 . 2]" 1
596 1 39 LEU QD 1 42 ARG H . . 5.440 5.231 4.854 5.501 0.061 4 0 "[ . 1 . 2]" 1
597 1 39 LEU QD 1 43 GLN QG . . 4.040 3.325 2.351 4.092 0.052 15 0 "[ . 1 . 2]" 1
598 1 39 LEU QD 1 44 LYS H . . 5.440 5.298 4.777 5.513 0.073 9 0 "[ . 1 . 2]" 1
599 1 39 LEU QD 1 49 LYS QD . . 4.460 3.638 2.018 4.453 . 0 0 "[ . 1 . 2]" 1
600 1 39 LEU QD 1 49 LYS QE . . 3.370 2.798 2.051 3.382 0.012 9 0 "[ . 1 . 2]" 1
601 1 39 LEU QD 1 49 LYS QG . . 3.150 2.916 2.176 3.191 0.041 16 0 "[ . 1 . 2]" 1
602 1 39 LEU QD 1 77 THR MG . . 3.540 2.439 1.937 3.207 . 0 0 "[ . 1 . 2]" 1
603 1 40 PRO HA 1 41 GLU QG . . 5.230 4.890 4.751 5.040 . 0 0 "[ . 1 . 2]" 1
604 1 40 PRO HD2 1 41 GLU H . . 4.000 2.846 2.803 2.863 . 0 0 "[ . 1 . 2]" 1
605 1 40 PRO HD3 1 41 GLU H . . 4.750 3.948 3.926 3.958 . 0 0 "[ . 1 . 2]" 1
606 1 41 GLU H 1 41 GLU QB . . 3.220 2.445 2.353 2.574 . 0 0 "[ . 1 . 2]" 1
607 1 41 GLU H 1 41 GLU HG2 . . 3.840 3.117 2.333 3.778 . 0 0 "[ . 1 . 2]" 1
608 1 41 GLU H 1 41 GLU HG3 . . 3.840 3.341 2.571 3.845 0.005 17 0 "[ . 1 . 2]" 1
609 1 41 GLU H 1 42 ARG H . . 3.780 2.625 2.219 2.785 . 0 0 "[ . 1 . 2]" 1
610 1 41 GLU HA 1 41 GLU HG2 . . 4.240 2.647 2.329 3.189 . 0 0 "[ . 1 . 2]" 1
611 1 41 GLU HA 1 41 GLU QG . . 3.700 2.574 2.284 3.037 . 0 0 "[ . 1 . 2]" 1
612 1 41 GLU HA 1 41 GLU HG3 . . 4.240 3.544 3.067 3.837 . 0 0 "[ . 1 . 2]" 1
613 1 41 GLU QB 1 42 ARG H . . 4.190 2.032 1.915 2.533 . 0 0 "[ . 1 . 2]" 1
614 1 41 GLU QB 1 42 ARG QB . . 4.180 3.675 3.481 3.851 . 0 0 "[ . 1 . 2]" 1
615 1 41 GLU QG 1 42 ARG QG . . 4.690 4.427 4.159 4.694 0.004 19 0 "[ . 1 . 2]" 1
616 1 42 ARG H 1 42 ARG HB2 . . 4.070 3.470 2.713 4.059 . 0 0 "[ . 1 . 2]" 1
617 1 42 ARG H 1 42 ARG QB . . 3.500 3.077 2.656 3.423 . 0 0 "[ . 1 . 2]" 1
618 1 42 ARG H 1 42 ARG HB3 . . 4.070 3.692 3.295 3.940 . 0 0 "[ . 1 . 2]" 1
619 1 42 ARG H 1 42 ARG QD . . 4.940 4.459 3.851 4.835 . 0 0 "[ . 1 . 2]" 1
620 1 42 ARG H 1 42 ARG HG2 . . 4.090 3.063 2.179 3.980 . 0 0 "[ . 1 . 2]" 1
621 1 42 ARG H 1 42 ARG QG . . 3.380 2.684 2.150 3.191 . 0 0 "[ . 1 . 2]" 1
622 1 42 ARG H 1 42 ARG HG3 . . 4.090 3.246 2.787 4.099 0.009 17 0 "[ . 1 . 2]" 1
623 1 42 ARG H 1 43 GLN H . . 4.210 4.046 3.635 4.272 0.062 1 0 "[ . 1 . 2]" 1
624 1 42 ARG HA 1 42 ARG QD . . 4.620 4.101 2.334 4.594 . 0 0 "[ . 1 . 2]" 1
625 1 42 ARG HA 1 42 ARG HG2 . . 3.980 3.244 2.385 3.847 . 0 0 "[ . 1 . 2]" 1
626 1 42 ARG HA 1 42 ARG QG . . 3.490 3.005 2.340 3.344 . 0 0 "[ . 1 . 2]" 1
627 1 42 ARG HA 1 42 ARG HG3 . . 3.980 3.657 3.247 3.877 . 0 0 "[ . 1 . 2]" 1
628 1 42 ARG HA 1 43 GLN H . . 3.570 2.174 2.141 2.343 . 0 0 "[ . 1 . 2]" 1
629 1 43 GLN H 1 43 GLN HB2 . . 4.070 3.673 2.816 4.065 . 0 0 "[ . 1 . 2]" 1
630 1 43 GLN H 1 43 GLN QB . . 3.330 3.016 2.279 3.352 0.022 1 0 "[ . 1 . 2]" 1
631 1 43 GLN H 1 43 GLN HB3 . . 4.070 3.325 2.338 3.944 . 0 0 "[ . 1 . 2]" 1
632 1 43 GLN H 1 43 GLN QG . . 3.710 2.975 1.978 3.971 0.261 14 0 "[ . 1 . 2]" 1
633 1 43 GLN H 1 44 LYS QG . . 5.040 4.329 3.503 5.084 0.044 19 0 "[ . 1 . 2]" 1
634 1 43 GLN HA 1 43 GLN QG . . 3.910 3.220 2.561 3.509 . 0 0 "[ . 1 . 2]" 1
635 1 43 GLN HA 1 44 LYS H . . 2.940 2.367 2.139 2.691 . 0 0 "[ . 1 . 2]" 1
636 1 43 GLN HA 1 44 LYS HA . . 4.560 4.474 4.387 4.582 0.022 8 0 "[ . 1 . 2]" 1
637 1 43 GLN QB 1 44 LYS H . . 4.080 2.673 2.122 3.843 . 0 0 "[ . 1 . 2]" 1
638 1 43 GLN QB 1 44 LYS HA . . 4.860 4.301 3.896 4.712 . 0 0 "[ . 1 . 2]" 1
639 1 44 LYS H 1 44 LYS QB . . 3.260 2.689 2.300 2.881 . 0 0 "[ . 1 . 2]" 1
640 1 44 LYS H 1 44 LYS QG . . 4.240 3.441 2.640 4.242 0.002 15 0 "[ . 1 . 2]" 1
641 1 44 LYS H 1 45 LEU H . . 4.230 2.910 1.881 3.932 . 0 0 "[ . 1 . 2]" 1
642 1 44 LYS H 1 75 MET H . . 4.190 3.365 2.730 3.934 . 0 0 "[ . 1 . 2]" 1
643 1 44 LYS H 1 75 MET QB . . 4.830 4.176 3.027 4.925 0.095 3 0 "[ . 1 . 2]" 1
644 1 44 LYS H 1 77 THR MG . . 5.360 3.078 2.231 4.216 . 0 0 "[ . 1 . 2]" 1
645 1 44 LYS HA 1 45 LEU H . . 3.220 2.627 2.154 3.248 0.028 16 0 "[ . 1 . 2]" 1
646 1 44 LYS HA 1 45 LEU QD . . 4.910 3.889 3.132 4.491 . 0 0 "[ . 1 . 2]" 1
647 1 44 LYS QB 1 45 LEU QD . . 4.880 4.414 3.798 4.870 . 0 0 "[ . 1 . 2]" 1
648 1 44 LYS QB 1 75 MET HB2 . . 4.520 3.636 1.964 4.551 0.031 14 0 "[ . 1 . 2]" 1
649 1 44 LYS QB 1 75 MET QB . . 3.900 2.474 1.847 3.298 . 0 0 "[ . 1 . 2]" 1
650 1 44 LYS QB 1 75 MET HB3 . . 4.520 2.754 1.926 4.461 . 0 0 "[ . 1 . 2]" 1
651 1 44 LYS QB 1 75 MET QG . . 4.900 3.009 1.915 4.014 . 0 0 "[ . 1 . 2]" 1
652 1 44 LYS QB 1 76 GLY H . . 4.870 4.305 3.451 4.813 . 0 0 "[ . 1 . 2]" 1
653 1 44 LYS QD 1 75 MET QG . . 4.130 3.829 2.513 4.151 0.021 14 0 "[ . 1 . 2]" 1
654 1 44 LYS QE 1 75 MET HG2 . . 5.490 4.401 2.687 5.503 0.013 3 0 "[ . 1 . 2]" 1
655 1 44 LYS QE 1 75 MET QG . . 4.720 3.933 2.656 4.726 0.006 13 0 "[ . 1 . 2]" 1
656 1 44 LYS QE 1 75 MET HG3 . . 5.490 4.900 3.719 5.507 0.017 2 0 "[ . 1 . 2]" 1
657 1 45 LEU H 1 45 LEU QB . . 3.570 2.530 2.266 2.812 . 0 0 "[ . 1 . 2]" 1
658 1 45 LEU H 1 45 LEU MD1 . . 4.430 2.769 1.886 4.081 . 0 0 "[ . 1 . 2]" 1
659 1 45 LEU H 1 45 LEU QD . . 3.670 2.283 1.872 2.950 . 0 0 "[ . 1 . 2]" 1
660 1 45 LEU H 1 45 LEU MD2 . . 4.430 3.469 1.876 4.142 . 0 0 "[ . 1 . 2]" 1
661 1 45 LEU H 1 45 LEU HG . . 4.190 2.816 1.857 3.769 . 0 0 "[ . 1 . 2]" 1
662 1 45 LEU HA 1 45 LEU MD1 . . 4.400 3.459 2.260 4.028 . 0 0 "[ . 1 . 2]" 1
663 1 45 LEU HA 1 45 LEU QD . . 3.540 2.801 2.004 3.414 . 0 0 "[ . 1 . 2]" 1
664 1 45 LEU HA 1 45 LEU MD2 . . 4.400 3.192 2.011 4.102 . 0 0 "[ . 1 . 2]" 1
665 1 45 LEU HA 1 46 LEU H . . 3.220 2.438 2.211 2.664 . 0 0 "[ . 1 . 2]" 1
666 1 45 LEU HA 1 72 ILE MD . . 5.000 3.702 2.584 4.311 . 0 0 "[ . 1 . 2]" 1
667 1 45 LEU HA 1 74 MET HA . . 3.930 2.477 1.979 2.930 . 0 0 "[ . 1 . 2]" 1
668 1 45 LEU QB 1 45 LEU QD . . 2.780 1.846 1.727 1.993 . 0 0 "[ . 1 . 2]" 1
669 1 45 LEU QB 1 46 LEU H . . 4.090 2.379 2.011 2.902 . 0 0 "[ . 1 . 2]" 1
670 1 45 LEU QB 1 46 LEU QD . . 3.720 3.243 2.430 3.798 0.078 18 0 "[ . 1 . 2]" 1
671 1 45 LEU QB 1 72 ILE MD . . 3.470 2.584 1.894 3.564 0.094 3 0 "[ . 1 . 2]" 1
672 1 45 LEU QD 1 46 LEU H . . 4.130 3.572 2.852 3.886 . 0 0 "[ . 1 . 2]" 1
673 1 45 LEU QD 1 46 LEU QD . . 3.780 3.720 3.051 4.059 0.279 5 0 "[ . 1 . 2]" 1
674 1 45 LEU QD 1 48 LEU QD . . 3.860 2.261 1.819 3.141 . 0 0 "[ . 1 . 2]" 1
675 1 45 LEU QD 1 49 LYS HA . . 5.440 4.251 3.724 5.232 . 0 0 "[ . 1 . 2]" 1
676 1 45 LEU QD 1 49 LYS QG . . 3.800 2.978 2.111 3.906 0.106 9 0 "[ . 1 . 2]" 1
677 1 45 LEU QD 1 72 ILE MD . . 3.660 2.125 1.775 3.024 . 0 0 "[ . 1 . 2]" 1
678 1 45 LEU QD 1 74 MET HA . . 3.500 2.813 1.853 3.535 0.035 9 0 "[ . 1 . 2]" 1
679 1 45 LEU QD 1 74 MET QB . . 4.010 3.109 1.804 3.894 . 0 0 "[ . 1 . 2]" 1
680 1 45 LEU QD 1 74 MET QG . . 3.310 2.144 1.681 3.501 0.191 18 0 "[ . 1 . 2]" 1
681 1 45 LEU QD 1 75 MET H . . 4.910 3.291 1.883 4.310 . 0 0 "[ . 1 . 2]" 1
682 1 45 LEU QD 1 77 THR MG . . 3.770 2.858 1.897 3.777 0.007 8 0 "[ . 1 . 2]" 1
683 1 45 LEU MD1 1 74 MET HA . . 4.830 3.846 2.154 4.637 . 0 0 "[ . 1 . 2]" 1
684 1 45 LEU MD1 1 77 THR MG . . 4.480 3.567 1.907 4.545 0.065 9 0 "[ . 1 . 2]" 1
685 1 45 LEU MD2 1 74 MET HA . . 4.830 3.043 1.863 3.773 . 0 0 "[ . 1 . 2]" 1
686 1 45 LEU MD2 1 77 THR MG . . 4.480 3.473 2.139 4.478 . 0 0 "[ . 1 . 2]" 1
687 1 45 LEU HG 1 77 THR MG . . 4.670 4.033 3.077 4.705 0.035 20 0 "[ . 1 . 2]" 1
688 1 46 LEU H 1 46 LEU HB2 . . 3.680 3.271 2.184 3.696 0.016 4 0 "[ . 1 . 2]" 1
689 1 46 LEU H 1 46 LEU HB3 . . 3.680 2.976 2.085 3.699 0.019 13 0 "[ . 1 . 2]" 1
690 1 46 LEU H 1 46 LEU MD1 . . 4.180 2.850 1.807 4.019 . 0 0 "[ . 1 . 2]" 1
691 1 46 LEU H 1 46 LEU QD . . 3.470 2.047 1.664 2.708 . 0 0 "[ . 1 . 2]" 1
692 1 46 LEU H 1 46 LEU MD2 . . 4.180 2.728 1.827 3.731 . 0 0 "[ . 1 . 2]" 1
693 1 46 LEU H 1 46 LEU HG . . 4.280 3.241 1.846 4.142 . 0 0 "[ . 1 . 2]" 1
694 1 46 LEU H 1 73 MET QB . . 4.360 3.879 3.641 4.221 . 0 0 "[ . 1 . 2]" 1
695 1 46 LEU H 1 74 MET HA . . 4.280 3.873 3.525 4.221 . 0 0 "[ . 1 . 2]" 1
696 1 46 LEU HA 1 46 LEU MD1 . . 4.310 3.270 1.970 4.085 . 0 0 "[ . 1 . 2]" 1
697 1 46 LEU HA 1 46 LEU QD . . 3.430 2.961 1.915 3.340 . 0 0 "[ . 1 . 2]" 1
698 1 46 LEU HA 1 46 LEU MD2 . . 4.310 3.607 2.281 4.120 . 0 0 "[ . 1 . 2]" 1
699 1 46 LEU QB 1 46 LEU QD . . 2.650 1.937 1.882 2.062 . 0 0 "[ . 1 . 2]" 1
700 1 46 LEU QB 1 46 LEU HG . . 2.440 2.282 2.158 2.379 . 0 0 "[ . 1 . 2]" 1
701 1 46 LEU QB 1 73 MET QB . . 4.440 3.325 2.187 4.448 0.008 16 0 "[ . 1 . 2]" 1
702 1 46 LEU QD 1 72 ILE HA . . 3.860 2.834 1.934 3.917 0.057 18 0 "[ . 1 . 2]" 1
703 1 46 LEU QD 1 72 ILE QG . . 3.110 2.424 1.825 3.181 0.071 13 0 "[ . 1 . 2]" 1
704 1 46 LEU QD 1 73 MET H . . 3.670 1.963 1.772 2.450 . 0 0 "[ . 1 . 2]" 1
705 1 46 LEU QD 1 73 MET QB . . 3.300 2.046 1.668 3.282 . 0 0 "[ . 1 . 2]" 1
706 1 46 LEU QD 1 73 MET QG . . 3.590 2.859 1.858 3.656 0.066 15 0 "[ . 1 . 2]" 1
707 1 46 LEU MD1 1 73 MET QB . . 4.490 2.978 1.904 4.430 . 0 0 "[ . 1 . 2]" 1
708 1 46 LEU MD2 1 73 MET QB . . 4.490 2.394 1.812 4.454 . 0 0 "[ . 1 . 2]" 1
709 1 46 LEU HG 1 73 MET QG . . 5.340 4.749 3.463 5.378 0.038 7 0 "[ . 1 . 2]" 1
710 1 48 LEU H 1 48 LEU HB2 . . 3.710 2.639 2.362 2.884 . 0 0 "[ . 1 . 2]" 1
711 1 48 LEU H 1 48 LEU HB3 . . 4.070 2.400 2.220 2.657 . 0 0 "[ . 1 . 2]" 1
712 1 48 LEU H 1 48 LEU MD1 . . 5.350 4.153 3.909 4.310 . 0 0 "[ . 1 . 2]" 1
713 1 48 LEU H 1 48 LEU QD . . 4.400 3.662 3.558 3.733 . 0 0 "[ . 1 . 2]" 1
714 1 48 LEU H 1 48 LEU MD2 . . 5.350 4.078 3.882 4.191 . 0 0 "[ . 1 . 2]" 1
715 1 48 LEU H 1 72 ILE MD . . 5.210 3.988 3.574 4.407 . 0 0 "[ . 1 . 2]" 1
716 1 48 LEU H 1 72 ILE QG . . 4.000 2.971 2.053 3.571 . 0 0 "[ . 1 . 2]" 1
717 1 48 LEU HA 1 48 LEU MD1 . . 4.210 2.765 2.046 3.471 . 0 0 "[ . 1 . 2]" 1
718 1 48 LEU HA 1 48 LEU QD . . 3.070 2.234 1.889 3.143 0.073 12 0 "[ . 1 . 2]" 1
719 1 48 LEU HA 1 48 LEU MD2 . . 4.210 3.193 1.904 3.983 . 0 0 "[ . 1 . 2]" 1
720 1 48 LEU HA 1 49 LYS H . . 3.240 2.239 2.140 2.293 . 0 0 "[ . 1 . 2]" 1
721 1 48 LEU HA 1 49 LYS HA . . 5.360 4.420 4.364 4.457 . 0 0 "[ . 1 . 2]" 1
722 1 48 LEU HA 1 72 ILE MD . . 5.500 5.442 5.201 5.576 0.076 7 0 "[ . 1 . 2]" 1
723 1 48 LEU HB2 1 48 LEU MD1 . . 3.530 2.561 2.101 3.145 . 0 0 "[ . 1 . 2]" 1
724 1 48 LEU HB2 1 48 LEU QD . . 3.040 2.206 2.058 2.430 . 0 0 "[ . 1 . 2]" 1
725 1 48 LEU HB2 1 48 LEU MD2 . . 3.530 2.570 2.373 3.106 . 0 0 "[ . 1 . 2]" 1
726 1 48 LEU HB2 1 72 ILE QG . . 4.350 2.704 2.152 3.337 . 0 0 "[ . 1 . 2]" 1
727 1 48 LEU HB3 1 48 LEU QD . . 3.130 2.127 2.027 2.243 . 0 0 "[ . 1 . 2]" 1
728 1 48 LEU HB3 1 72 ILE MD . . 3.660 2.975 2.764 3.296 . 0 0 "[ . 1 . 2]" 1
729 1 48 LEU HB3 1 72 ILE HG12 . . 4.190 3.523 3.061 4.074 . 0 0 "[ . 1 . 2]" 1
730 1 48 LEU HB3 1 72 ILE QG . . 3.540 2.169 1.954 2.699 . 0 0 "[ . 1 . 2]" 1
731 1 48 LEU HB3 1 72 ILE HG13 . . 4.190 2.191 1.970 2.739 . 0 0 "[ . 1 . 2]" 1
732 1 48 LEU HB3 1 72 ILE MG . . 4.220 4.020 3.184 4.343 0.123 20 0 "[ . 1 . 2]" 1
733 1 48 LEU QD 1 49 LYS H . . 4.020 2.072 1.859 2.897 . 0 0 "[ . 1 . 2]" 1
734 1 48 LEU QD 1 49 LYS QB . . 3.590 2.613 1.845 3.483 . 0 0 "[ . 1 . 2]" 1
735 1 48 LEU QD 1 49 LYS QG . . 2.980 2.297 1.899 3.006 0.026 15 0 "[ . 1 . 2]" 1
736 1 48 LEU QD 1 72 ILE QG . . 3.640 2.865 2.029 3.538 . 0 0 "[ . 1 . 2]" 1
737 1 48 LEU MD1 1 49 LYS HG2 . . 5.310 2.743 1.982 4.287 . 0 0 "[ . 1 . 2]" 1
738 1 48 LEU MD1 1 49 LYS HG3 . . 5.310 3.730 2.395 5.153 . 0 0 "[ . 1 . 2]" 1
739 1 48 LEU MD2 1 49 LYS HG2 . . 5.310 3.234 2.052 4.776 . 0 0 "[ . 1 . 2]" 1
740 1 48 LEU MD2 1 49 LYS HG3 . . 5.310 3.752 2.228 4.806 . 0 0 "[ . 1 . 2]" 1
741 1 49 LYS H 1 49 LYS QB . . 3.630 3.146 3.051 3.215 . 0 0 "[ . 1 . 2]" 1
742 1 49 LYS H 1 49 LYS QD . . 4.640 3.925 2.432 4.365 . 0 0 "[ . 1 . 2]" 1
743 1 49 LYS H 1 49 LYS QG . . 4.550 3.163 2.869 4.167 . 0 0 "[ . 1 . 2]" 1
744 1 49 LYS H 1 50 VAL H . . 4.570 3.096 2.995 3.320 . 0 0 "[ . 1 . 2]" 1
745 1 49 LYS HA 1 49 LYS QD . . 3.840 2.259 1.968 2.595 . 0 0 "[ . 1 . 2]" 1
746 1 49 LYS HA 1 49 LYS QE . . 4.690 3.974 3.357 4.505 . 0 0 "[ . 1 . 2]" 1
747 1 49 LYS HA 1 49 LYS HG2 . . 4.050 2.627 2.371 3.594 . 0 0 "[ . 1 . 2]" 1
748 1 49 LYS HA 1 49 LYS HG3 . . 4.050 3.512 2.484 3.675 . 0 0 "[ . 1 . 2]" 1
749 1 49 LYS HA 1 50 VAL H . . 3.160 2.405 2.260 2.480 . 0 0 "[ . 1 . 2]" 1
750 1 49 LYS HA 1 50 VAL HA . . 4.510 4.520 4.419 4.555 0.045 18 0 "[ . 1 . 2]" 1
751 1 49 LYS HA 1 54 PRO HA . . 4.440 3.694 3.402 4.077 . 0 0 "[ . 1 . 2]" 1
752 1 49 LYS QB 1 49 LYS QD . . 2.990 2.255 2.060 2.491 . 0 0 "[ . 1 . 2]" 1
753 1 49 LYS QB 1 50 VAL H . . 3.940 3.898 3.839 3.935 . 0 0 "[ . 1 . 2]" 1
754 1 49 LYS HB2 1 49 LYS QD . . 3.650 3.197 2.435 3.434 . 0 0 "[ . 1 . 2]" 1
755 1 49 LYS HB3 1 49 LYS QD . . 3.650 2.386 2.083 3.349 . 0 0 "[ . 1 . 2]" 1
756 1 49 LYS QD 1 54 PRO HA . . 4.710 3.610 2.889 4.365 . 0 0 "[ . 1 . 2]" 1
757 1 49 LYS QG 1 54 PRO HA . . 5.340 5.113 4.214 5.360 0.020 19 0 "[ . 1 . 2]" 1
758 1 50 VAL H 1 50 VAL HB . . 3.790 3.253 2.706 3.711 . 0 0 "[ . 1 . 2]" 1
759 1 50 VAL H 1 50 VAL QG . . 3.540 1.961 1.857 2.136 . 0 0 "[ . 1 . 2]" 1
760 1 50 VAL H 1 54 PRO HA . . 4.660 3.721 3.006 4.293 . 0 0 "[ . 1 . 2]" 1
761 1 50 VAL H 1 55 ALA H . . 4.650 4.337 3.917 4.660 0.010 18 0 "[ . 1 . 2]" 1
762 1 50 VAL H 1 55 ALA MB . . 5.000 4.885 4.646 5.007 0.007 18 0 "[ . 1 . 2]" 1
763 1 50 VAL HA 1 50 VAL QG . . 3.140 2.199 2.028 2.314 . 0 0 "[ . 1 . 2]" 1
764 1 50 VAL QG 1 54 PRO HA . . 3.910 3.439 3.089 3.935 0.025 13 0 "[ . 1 . 2]" 1
765 1 50 VAL QG 1 55 ALA HA . . 4.950 4.972 4.907 5.009 0.059 18 0 "[ . 1 . 2]" 1
766 1 51 LYS HA 1 51 LYS QD . . 4.480 3.638 2.003 4.272 . 0 0 "[ . 1 . 2]" 1
767 1 51 LYS QB 1 51 LYS QD . . 2.800 2.190 1.998 2.340 . 0 0 "[ . 1 . 2]" 1
768 1 51 LYS HB2 1 51 LYS HD2 . . 4.180 2.972 2.191 3.664 . 0 0 "[ . 1 . 2]" 1
769 1 51 LYS HB2 1 51 LYS HD3 . . 4.180 3.212 2.367 4.203 0.023 18 0 "[ . 1 . 2]" 1
770 1 51 LYS HB3 1 51 LYS HD2 . . 4.180 2.955 2.047 3.739 . 0 0 "[ . 1 . 2]" 1
771 1 51 LYS HB3 1 51 LYS HD3 . . 4.180 3.109 2.164 3.793 . 0 0 "[ . 1 . 2]" 1
772 1 51 LYS QD 1 52 GLY H . . 4.890 4.173 2.236 4.978 0.088 9 0 "[ . 1 . 2]" 1
773 1 51 LYS QG 1 52 GLY H . . 4.780 3.111 2.010 4.370 . 0 0 "[ . 1 . 2]" 1
774 1 51 LYS QG 1 52 GLY QA . . 5.180 3.511 3.038 4.876 . 0 0 "[ . 1 . 2]" 1
775 1 51 LYS HG2 1 52 GLY H . . 5.500 3.754 2.342 5.478 . 0 0 "[ . 1 . 2]" 1
776 1 51 LYS HG3 1 52 GLY H . . 5.500 3.676 2.018 4.916 . 0 0 "[ . 1 . 2]" 1
777 1 52 GLY QA 1 53 LYS QG . . 5.180 3.303 3.139 3.564 . 0 0 "[ . 1 . 2]" 1
778 1 53 LYS H 1 53 LYS HB2 . . 4.040 3.543 2.761 4.039 . 0 0 "[ . 1 . 2]" 1
779 1 53 LYS H 1 53 LYS QB . . 3.500 3.163 2.702 3.430 . 0 0 "[ . 1 . 2]" 1
780 1 53 LYS H 1 53 LYS HB3 . . 4.040 3.775 3.627 3.883 . 0 0 "[ . 1 . 2]" 1
781 1 53 LYS H 1 53 LYS HG2 . . 4.180 3.441 2.631 4.188 0.008 3 0 "[ . 1 . 2]" 1
782 1 53 LYS H 1 53 LYS QG . . 3.470 3.004 2.585 3.486 0.016 8 0 "[ . 1 . 2]" 1
783 1 53 LYS H 1 53 LYS HG3 . . 4.180 3.418 2.850 4.189 0.009 18 0 "[ . 1 . 2]" 1
784 1 53 LYS H 1 54 PRO QD . . 4.370 2.516 2.255 2.823 . 0 0 "[ . 1 . 2]" 1
785 1 53 LYS HA 1 54 PRO HD2 . . 3.870 2.096 2.047 2.136 . 0 0 "[ . 1 . 2]" 1
786 1 53 LYS HA 1 54 PRO QD . . 3.270 2.053 2.005 2.093 . 0 0 "[ . 1 . 2]" 1
787 1 53 LYS HA 1 54 PRO HD3 . . 3.870 2.938 2.867 2.994 . 0 0 "[ . 1 . 2]" 1
788 1 53 LYS QB 1 54 PRO QD . . 4.130 3.721 3.650 3.787 . 0 0 "[ . 1 . 2]" 1
789 1 54 PRO HA 1 55 ALA H . . 2.880 2.240 2.169 2.269 . 0 0 "[ . 1 . 2]" 1
790 1 54 PRO HA 1 55 ALA HA . . 4.670 4.326 4.316 4.356 . 0 0 "[ . 1 . 2]" 1
791 1 54 PRO HA 1 55 ALA MB . . 4.790 4.063 3.968 4.096 . 0 0 "[ . 1 . 2]" 1
792 1 54 PRO HB2 1 55 ALA H . . 3.890 3.091 2.986 3.402 . 0 0 "[ . 1 . 2]" 1
793 1 54 PRO HB3 1 55 ALA H . . 3.890 3.721 3.657 3.914 0.024 18 0 "[ . 1 . 2]" 1
794 1 55 ALA H 1 55 ALA MB . . 2.940 2.189 2.072 2.233 . 0 0 "[ . 1 . 2]" 1
795 1 55 ALA HA 1 56 GLU H . . 2.830 2.399 2.153 2.580 . 0 0 "[ . 1 . 2]" 1
796 1 55 ALA HA 1 59 VAL QG . . 4.280 3.711 3.148 4.069 . 0 0 "[ . 1 . 2]" 1
797 1 55 ALA MB 1 57 ASN H . . 5.500 5.372 5.266 5.508 0.008 3 0 "[ . 1 . 2]" 1
798 1 55 ALA MB 1 59 VAL MG1 . . 4.100 3.714 3.293 4.051 . 0 0 "[ . 1 . 2]" 1
799 1 55 ALA MB 1 59 VAL QG . . 3.090 2.636 2.279 3.051 . 0 0 "[ . 1 . 2]" 1
800 1 55 ALA MB 1 59 VAL MG2 . . 4.100 2.703 2.322 3.155 . 0 0 "[ . 1 . 2]" 1
801 1 56 GLU H 1 56 GLU HB2 . . 3.510 2.686 2.372 2.898 . 0 0 "[ . 1 . 2]" 1
802 1 56 GLU H 1 56 GLU HB3 . . 3.510 2.754 2.670 2.965 . 0 0 "[ . 1 . 2]" 1
803 1 56 GLU H 1 56 GLU QG . . 4.560 4.068 3.964 4.142 . 0 0 "[ . 1 . 2]" 1
804 1 56 GLU H 1 59 VAL QG . . 3.450 2.294 1.869 2.850 . 0 0 "[ . 1 . 2]" 1
805 1 56 GLU HA 1 56 GLU HG2 . . 4.140 3.233 3.069 3.550 . 0 0 "[ . 1 . 2]" 1
806 1 56 GLU HA 1 56 GLU HG3 . . 4.140 2.272 2.169 2.313 . 0 0 "[ . 1 . 2]" 1
807 1 56 GLU HA 1 57 ASN H . . 3.080 2.322 2.257 2.420 . 0 0 "[ . 1 . 2]" 1
808 1 56 GLU QB 1 57 ASN H . . 3.450 3.324 3.064 3.456 0.006 10 0 "[ . 1 . 2]" 1
809 1 56 GLU QB 1 58 ASP H . . 3.780 3.065 2.338 3.431 . 0 0 "[ . 1 . 2]" 1
810 1 56 GLU QB 1 59 VAL QG . . 4.310 2.443 1.989 3.537 . 0 0 "[ . 1 . 2]" 1
811 1 56 GLU QG 1 57 ASN H . . 3.090 2.201 1.982 2.357 . 0 0 "[ . 1 . 2]" 1
812 1 56 GLU QG 1 58 ASP H . . 3.890 2.035 1.929 2.880 . 0 0 "[ . 1 . 2]" 1
813 1 56 GLU HG2 1 57 ASN HB3 . . 4.960 4.913 4.503 4.975 0.015 1 0 "[ . 1 . 2]" 1
814 1 56 GLU HG3 1 57 ASN HB3 . . 4.960 4.893 3.877 4.972 0.012 1 0 "[ . 1 . 2]" 1
815 1 57 ASN H 1 57 ASN HB2 . . 3.760 3.583 3.532 3.598 . 0 0 "[ . 1 . 2]" 1
816 1 57 ASN H 1 57 ASN HB3 . . 3.670 2.662 2.249 2.777 . 0 0 "[ . 1 . 2]" 1
817 1 57 ASN H 1 58 ASP H . . 3.580 2.569 2.522 2.670 . 0 0 "[ . 1 . 2]" 1
818 1 57 ASN H 1 59 VAL H . . 4.530 4.165 3.963 4.439 . 0 0 "[ . 1 . 2]" 1
819 1 57 ASN HA 1 59 VAL H . . 4.190 3.710 3.574 3.816 . 0 0 "[ . 1 . 2]" 1
820 1 58 ASP H 1 58 ASP HB2 . . 3.750 2.402 2.203 2.759 . 0 0 "[ . 1 . 2]" 1
821 1 58 ASP H 1 58 ASP QB . . 3.180 2.259 2.142 2.595 . 0 0 "[ . 1 . 2]" 1
822 1 58 ASP H 1 58 ASP HB3 . . 3.750 2.994 2.322 3.589 . 0 0 "[ . 1 . 2]" 1
823 1 58 ASP H 1 59 VAL H . . 3.260 2.721 2.652 2.757 . 0 0 "[ . 1 . 2]" 1
824 1 58 ASP H 1 59 VAL HA . . 5.470 5.269 5.202 5.319 . 0 0 "[ . 1 . 2]" 1
825 1 58 ASP H 1 59 VAL QG . . 3.970 3.907 3.798 4.002 0.032 15 0 "[ . 1 . 2]" 1
826 1 58 ASP HB2 1 59 VAL H . . 4.800 3.643 2.851 4.260 . 0 0 "[ . 1 . 2]" 1
827 1 58 ASP HB3 1 59 VAL H . . 4.800 3.271 2.936 3.978 . 0 0 "[ . 1 . 2]" 1
828 1 59 VAL H 1 59 VAL HB . . 3.140 2.576 2.525 2.647 . 0 0 "[ . 1 . 2]" 1
829 1 59 VAL H 1 59 VAL MG1 . . 3.980 3.764 3.760 3.767 . 0 0 "[ . 1 . 2]" 1
830 1 59 VAL H 1 59 VAL QG . . 2.970 2.021 1.911 2.153 . 0 0 "[ . 1 . 2]" 1
831 1 59 VAL H 1 59 VAL MG2 . . 3.980 2.030 1.917 2.166 . 0 0 "[ . 1 . 2]" 1
832 1 59 VAL HA 1 59 VAL MG1 . . 3.540 2.364 2.263 2.419 . 0 0 "[ . 1 . 2]" 1
833 1 59 VAL HA 1 59 VAL QG . . 3.060 2.123 2.072 2.154 . 0 0 "[ . 1 . 2]" 1
834 1 59 VAL HA 1 59 VAL MG2 . . 3.540 2.405 2.375 2.447 . 0 0 "[ . 1 . 2]" 1
835 1 59 VAL HA 1 60 LYS H . . 2.800 2.202 2.140 2.275 . 0 0 "[ . 1 . 2]" 1
836 1 59 VAL HB 1 63 ALA MB . . 5.080 4.964 4.482 5.110 0.030 12 0 "[ . 1 . 2]" 1
837 1 59 VAL QG 1 60 LYS H . . 3.300 2.277 1.912 2.824 . 0 0 "[ . 1 . 2]" 1
838 1 59 VAL QG 1 61 LEU HA . . 5.440 5.013 4.866 5.254 . 0 0 "[ . 1 . 2]" 1
839 1 59 VAL QG 1 63 ALA MB . . 3.670 2.808 1.986 3.105 . 0 0 "[ . 1 . 2]" 1
840 1 59 VAL QG 1 64 LEU QD . . 2.930 1.725 1.619 1.921 . 0 0 "[ . 1 . 2]" 1
841 1 60 LYS H 1 60 LYS HB3 . . 3.680 3.616 3.479 3.730 0.050 3 0 "[ . 1 . 2]" 1
842 1 60 LYS H 1 60 LYS QD . . 4.300 4.059 3.293 4.345 0.045 2 0 "[ . 1 . 2]" 1
843 1 60 LYS H 1 60 LYS HG2 . . 3.640 3.479 3.114 3.695 0.055 1 0 "[ . 1 . 2]" 1
844 1 60 LYS H 1 60 LYS HG3 . . 3.920 2.355 2.049 2.553 . 0 0 "[ . 1 . 2]" 1
845 1 60 LYS H 1 61 LEU H . . 4.600 4.375 4.358 4.411 . 0 0 "[ . 1 . 2]" 1
846 1 60 LYS H 1 62 GLY H . . 5.500 4.839 4.351 5.401 . 0 0 "[ . 1 . 2]" 1
847 1 60 LYS H 1 63 ALA H . . 4.440 3.434 3.244 3.635 . 0 0 "[ . 1 . 2]" 1
848 1 60 LYS HA 1 60 LYS QD . . 4.400 4.157 3.952 4.320 . 0 0 "[ . 1 . 2]" 1
849 1 60 LYS HA 1 60 LYS HG3 . . 4.250 3.567 3.497 3.646 . 0 0 "[ . 1 . 2]" 1
850 1 60 LYS HA 1 61 LEU H . . 3.040 2.557 2.458 2.656 . 0 0 "[ . 1 . 2]" 1
851 1 60 LYS HB2 1 60 LYS QD . . 2.850 2.071 1.946 2.298 . 0 0 "[ . 1 . 2]" 1
852 1 60 LYS HB2 1 61 LEU HA . . 4.960 4.569 4.483 4.679 . 0 0 "[ . 1 . 2]" 1
853 1 60 LYS HB2 1 62 GLY H . . 3.740 2.833 2.590 3.451 . 0 0 "[ . 1 . 2]" 1
854 1 60 LYS HB2 1 63 ALA H . . 4.500 4.073 3.707 4.589 0.089 3 0 "[ . 1 . 2]" 1
855 1 60 LYS HB2 1 63 ALA MB . . 4.500 4.265 3.893 4.553 0.053 17 0 "[ . 1 . 2]" 1
856 1 60 LYS HB3 1 60 LYS QD . . 3.650 3.087 2.631 3.392 . 0 0 "[ . 1 . 2]" 1
857 1 60 LYS HB3 1 61 LEU H . . 3.610 3.429 3.294 3.559 . 0 0 "[ . 1 . 2]" 1
858 1 60 LYS HB3 1 63 ALA MB . . 5.320 4.388 4.195 4.650 . 0 0 "[ . 1 . 2]" 1
859 1 60 LYS QD 1 61 LEU H . . 3.950 3.407 2.707 3.801 . 0 0 "[ . 1 . 2]" 1
860 1 60 LYS QD 1 63 ALA HA . . 4.700 4.279 3.355 4.776 0.076 17 0 "[ . 1 . 2]" 1
861 1 60 LYS QD 1 63 ALA MB . . 3.510 2.992 2.111 3.521 0.011 5 0 "[ . 1 . 2]" 1
862 1 60 LYS HG3 1 63 ALA HA . . 4.760 4.315 3.915 4.718 . 0 0 "[ . 1 . 2]" 1
863 1 60 LYS HG3 1 63 ALA MB . . 2.920 2.037 1.923 2.445 . 0 0 "[ . 1 . 2]" 1
864 1 61 LEU H 1 61 LEU HB2 . . 3.550 2.588 2.381 2.762 . 0 0 "[ . 1 . 2]" 1
865 1 61 LEU H 1 61 LEU QB . . 3.050 2.211 2.175 2.232 . 0 0 "[ . 1 . 2]" 1
866 1 61 LEU H 1 61 LEU HB3 . . 3.550 2.428 2.276 2.631 . 0 0 "[ . 1 . 2]" 1
867 1 61 LEU H 1 61 LEU MD1 . . 4.450 4.125 3.942 4.234 . 0 0 "[ . 1 . 2]" 1
868 1 61 LEU H 1 61 LEU QD . . 3.860 3.691 3.561 3.750 . 0 0 "[ . 1 . 2]" 1
869 1 61 LEU H 1 61 LEU MD2 . . 4.450 4.166 4.024 4.256 . 0 0 "[ . 1 . 2]" 1
870 1 61 LEU H 1 62 GLY H . . 3.800 2.757 2.612 2.962 . 0 0 "[ . 1 . 2]" 1
871 1 61 LEU H 1 62 GLY QA . . 5.090 4.614 4.514 4.734 . 0 0 "[ . 1 . 2]" 1
872 1 61 LEU H 1 64 LEU QD . . 5.040 4.189 3.805 5.067 0.027 17 0 "[ . 1 . 2]" 1
873 1 61 LEU HA 1 61 LEU MD1 . . 4.000 2.688 2.002 3.640 . 0 0 "[ . 1 . 2]" 1
874 1 61 LEU HA 1 61 LEU QD . . 3.020 2.360 1.939 3.112 0.092 3 0 "[ . 1 . 2]" 1
875 1 61 LEU HA 1 61 LEU MD2 . . 4.000 3.521 1.949 3.963 . 0 0 "[ . 1 . 2]" 1
876 1 61 LEU HA 1 64 LEU QD . . 4.440 3.142 2.678 4.295 . 0 0 "[ . 1 . 2]" 1
877 1 61 LEU QB 1 61 LEU QD . . 2.640 1.898 1.805 1.955 . 0 0 "[ . 1 . 2]" 1
878 1 61 LEU HB2 1 61 LEU MD1 . . 3.610 2.397 2.057 3.132 . 0 0 "[ . 1 . 2]" 1
879 1 61 LEU HB2 1 61 LEU MD2 . . 3.610 2.600 2.300 3.149 . 0 0 "[ . 1 . 2]" 1
880 1 61 LEU HB2 1 62 GLY H . . 4.220 3.946 3.730 4.173 . 0 0 "[ . 1 . 2]" 1
881 1 61 LEU HB3 1 61 LEU MD1 . . 3.610 2.895 2.043 3.196 . 0 0 "[ . 1 . 2]" 1
882 1 61 LEU HB3 1 61 LEU MD2 . . 3.610 2.361 2.008 3.168 . 0 0 "[ . 1 . 2]" 1
883 1 61 LEU HB3 1 62 GLY H . . 4.220 2.662 2.291 2.992 . 0 0 "[ . 1 . 2]" 1
884 1 61 LEU QD 1 62 GLY H . . 4.450 3.485 2.448 4.071 . 0 0 "[ . 1 . 2]" 1
885 1 61 LEU HG 1 62 GLY H . . 4.610 3.937 2.701 4.695 0.085 16 0 "[ . 1 . 2]" 1
886 1 62 GLY H 1 63 ALA H . . 3.650 2.685 2.586 2.809 . 0 0 "[ . 1 . 2]" 1
887 1 62 GLY H 1 64 LEU H . . 5.240 4.351 4.057 5.190 . 0 0 "[ . 1 . 2]" 1
888 1 62 GLY QA 1 63 ALA HA . . 4.480 4.015 4.003 4.040 . 0 0 "[ . 1 . 2]" 1
889 1 63 ALA H 1 63 ALA MB . . 2.810 2.398 2.237 2.562 . 0 0 "[ . 1 . 2]" 1
890 1 63 ALA H 1 64 LEU H . . 3.160 2.136 1.865 2.817 . 0 0 "[ . 1 . 2]" 1
891 1 63 ALA H 1 65 LYS H . . 4.250 3.958 3.158 4.503 0.253 17 0 "[ . 1 . 2]" 1
892 1 63 ALA MB 1 64 LEU H . . 3.610 2.757 1.901 3.144 . 0 0 "[ . 1 . 2]" 1
893 1 63 ALA MB 1 64 LEU HA . . 4.090 3.997 3.717 4.135 0.045 3 0 "[ . 1 . 2]" 1
894 1 63 ALA MB 1 64 LEU MD1 . . 3.880 3.451 2.327 3.935 0.055 1 0 "[ . 1 . 2]" 1
895 1 63 ALA MB 1 64 LEU QD . . 3.190 2.986 2.055 3.276 0.086 16 0 "[ . 1 . 2]" 1
896 1 63 ALA MB 1 64 LEU MD2 . . 3.880 3.425 2.289 3.905 0.025 19 0 "[ . 1 . 2]" 1
897 1 64 LEU H 1 64 LEU HB2 . . 3.900 2.810 2.587 3.572 . 0 0 "[ . 1 . 2]" 1
898 1 64 LEU H 1 64 LEU HB3 . . 3.900 3.703 3.576 3.762 . 0 0 "[ . 1 . 2]" 1
899 1 64 LEU H 1 64 LEU MD1 . . 4.190 3.064 1.926 3.755 . 0 0 "[ . 1 . 2]" 1
900 1 64 LEU H 1 64 LEU QD . . 3.520 2.864 1.772 3.355 . 0 0 "[ . 1 . 2]" 1
901 1 64 LEU H 1 64 LEU MD2 . . 4.190 3.764 1.922 4.088 . 0 0 "[ . 1 . 2]" 1
902 1 64 LEU H 1 64 LEU HG . . 3.200 2.586 2.049 3.667 0.467 5 0 "[ . 1 . 2]" 1
903 1 64 LEU H 1 65 LYS H . . 3.410 2.593 1.962 3.471 0.061 3 0 "[ . 1 . 2]" 1
904 1 64 LEU HA 1 64 LEU MD1 . . 4.460 3.785 1.965 3.983 . 0 0 "[ . 1 . 2]" 1
905 1 64 LEU HA 1 64 LEU QD . . 2.980 2.644 1.956 3.303 0.323 4 0 "[ . 1 . 2]" 1
906 1 64 LEU HA 1 64 LEU MD2 . . 4.460 2.869 2.269 4.031 . 0 0 "[ . 1 . 2]" 1
907 1 64 LEU HA 1 64 LEU HG . . 4.090 3.085 2.749 3.634 . 0 0 "[ . 1 . 2]" 1
908 1 64 LEU HA 1 65 LYS HA . . 5.480 5.192 4.514 5.365 . 0 0 "[ . 1 . 2]" 1
909 1 64 LEU HA 1 65 LYS QG . . 5.020 4.291 3.366 5.028 0.008 15 0 "[ . 1 . 2]" 1
910 1 64 LEU HA 1 66 LEU QD . . 5.160 3.601 3.110 4.216 . 0 0 "[ . 1 . 2]" 1
911 1 64 LEU QB 1 64 LEU QD . . 2.860 1.826 1.748 1.942 . 0 0 "[ . 1 . 2]" 1
912 1 64 LEU QB 1 65 LYS H . . 3.780 2.557 1.967 3.871 0.091 17 0 "[ . 1 . 2]" 1
913 1 64 LEU QB 1 65 LYS QG . . 5.180 4.493 4.042 5.092 . 0 0 "[ . 1 . 2]" 1
914 1 64 LEU QB 1 66 LEU H . . 3.680 2.677 2.439 3.386 . 0 0 "[ . 1 . 2]" 1
915 1 64 LEU QB 1 66 LEU HB3 . . 4.540 4.357 4.124 4.729 0.189 18 0 "[ . 1 . 2]" 1
916 1 64 LEU QB 1 66 LEU QD . . 3.190 2.416 2.055 3.227 0.037 17 0 "[ . 1 . 2]" 1
917 1 64 LEU HB2 1 66 LEU H . . 4.340 2.864 2.560 4.105 . 0 0 "[ . 1 . 2]" 1
918 1 64 LEU HB3 1 66 LEU H . . 4.340 3.352 2.818 4.474 0.134 3 0 "[ . 1 . 2]" 1
919 1 64 LEU QD 1 65 LYS H . . 4.610 3.637 2.928 4.328 . 0 0 "[ . 1 . 2]" 1
920 1 64 LEU QD 1 66 LEU QD . . 3.750 2.990 2.487 3.605 . 0 0 "[ . 1 . 2]" 1
921 1 64 LEU HG 1 65 LYS H . . 5.140 4.353 3.989 5.231 0.091 3 0 "[ . 1 . 2]" 1
922 1 65 LYS H 1 65 LYS HA . . 2.890 2.394 2.274 2.872 . 0 0 "[ . 1 . 2]" 1
923 1 65 LYS H 1 65 LYS QB . . 3.670 3.162 2.506 3.427 . 0 0 "[ . 1 . 2]" 1
924 1 65 LYS H 1 65 LYS QD . . 4.330 4.011 2.896 4.442 0.112 8 0 "[ . 1 . 2]" 1
925 1 65 LYS H 1 65 LYS HG2 . . 4.410 3.137 2.085 4.406 . 0 0 "[ . 1 . 2]" 1
926 1 65 LYS H 1 65 LYS QG . . 3.550 2.580 2.063 2.940 . 0 0 "[ . 1 . 2]" 1
927 1 65 LYS H 1 65 LYS HG3 . . 4.410 3.330 2.129 4.394 . 0 0 "[ . 1 . 2]" 1
928 1 65 LYS H 1 66 LEU H . . 3.820 2.800 2.591 3.449 . 0 0 "[ . 1 . 2]" 1
929 1 65 LYS H 1 66 LEU HA . . 5.500 5.207 4.964 5.472 . 0 0 "[ . 1 . 2]" 1
930 1 65 LYS H 1 66 LEU HB2 . . 5.500 4.603 4.386 5.137 . 0 0 "[ . 1 . 2]" 1
931 1 65 LYS HA 1 65 LYS QD . . 4.540 3.472 2.177 4.469 . 0 0 "[ . 1 . 2]" 1
932 1 65 LYS HA 1 65 LYS HG2 . . 4.140 2.901 2.539 3.910 . 0 0 "[ . 1 . 2]" 1
933 1 65 LYS HA 1 65 LYS QG . . 3.620 2.660 2.354 3.342 . 0 0 "[ . 1 . 2]" 1
934 1 65 LYS HA 1 65 LYS HG3 . . 4.140 3.373 2.395 3.856 . 0 0 "[ . 1 . 2]" 1
935 1 65 LYS HA 1 66 LEU H . . 3.250 2.886 2.659 3.311 0.061 17 0 "[ . 1 . 2]" 1
936 1 65 LYS HA 1 66 LEU HA . . 4.910 4.615 4.488 4.918 0.008 17 0 "[ . 1 . 2]" 1
937 1 65 LYS QB 1 65 LYS QD . . 2.740 2.203 1.960 2.667 . 0 0 "[ . 1 . 2]" 1
938 1 66 LEU H 1 66 LEU HB2 . . 3.820 2.160 2.067 2.295 . 0 0 "[ . 1 . 2]" 1
939 1 66 LEU H 1 66 LEU HB3 . . 3.610 3.383 3.234 3.484 . 0 0 "[ . 1 . 2]" 1
940 1 66 LEU H 1 66 LEU QD . . 3.340 3.262 2.742 3.389 0.049 4 0 "[ . 1 . 2]" 1
941 1 66 LEU H 1 66 LEU HG . . 4.290 3.716 3.152 4.308 0.018 2 0 "[ . 1 . 2]" 1
942 1 66 LEU HA 1 66 LEU QD . . 3.300 2.650 1.872 2.871 . 0 0 "[ . 1 . 2]" 1
943 1 66 LEU HA 1 66 LEU HG . . 4.050 2.347 2.176 3.643 . 0 0 "[ . 1 . 2]" 1
944 1 66 LEU HA 1 67 LYS H . . 2.950 2.584 2.396 2.663 . 0 0 "[ . 1 . 2]" 1
945 1 66 LEU HA 1 67 LYS HA . . 4.760 4.436 4.362 4.475 . 0 0 "[ . 1 . 2]" 1
946 1 66 LEU HB2 1 66 LEU MD1 . . 3.300 2.089 1.952 3.194 . 0 0 "[ . 1 . 2]" 1
947 1 66 LEU HB2 1 66 LEU MD2 . . 3.300 3.010 2.397 3.125 . 0 0 "[ . 1 . 2]" 1
948 1 66 LEU HB3 1 66 LEU MD1 . . 3.630 2.779 2.337 3.111 . 0 0 "[ . 1 . 2]" 1
949 1 66 LEU HB3 1 66 LEU MD2 . . 3.630 2.144 1.961 3.193 . 0 0 "[ . 1 . 2]" 1
950 1 66 LEU HB3 1 67 LYS H . . 3.730 2.188 2.065 2.528 . 0 0 "[ . 1 . 2]" 1
951 1 66 LEU HB3 1 70 THR MG . . 4.350 3.815 3.501 4.421 0.071 14 0 "[ . 1 . 2]" 1
952 1 66 LEU QD 1 67 LYS H . . 3.980 2.275 1.903 2.892 . 0 0 "[ . 1 . 2]" 1
953 1 66 LEU QD 1 70 THR H . . 5.440 4.404 3.994 4.769 . 0 0 "[ . 1 . 2]" 1
954 1 66 LEU QD 1 70 THR HA . . 5.440 4.797 4.505 5.346 . 0 0 "[ . 1 . 2]" 1
955 1 66 LEU QD 1 70 THR HB . . 5.440 4.221 3.112 4.889 . 0 0 "[ . 1 . 2]" 1
956 1 66 LEU QD 1 70 THR MG . . 3.140 2.405 1.866 3.165 0.025 6 0 "[ . 1 . 2]" 1
957 1 67 LYS H 1 67 LYS QB . . 3.530 2.941 2.761 3.172 . 0 0 "[ . 1 . 2]" 1
958 1 67 LYS H 1 67 LYS QG . . 3.070 2.205 1.918 2.652 . 0 0 "[ . 1 . 2]" 1
959 1 67 LYS H 1 70 THR H . . 4.740 4.550 4.385 4.698 . 0 0 "[ . 1 . 2]" 1
960 1 67 LYS HA 1 67 LYS QD . . 4.750 4.284 3.525 4.503 . 0 0 "[ . 1 . 2]" 1
961 1 67 LYS HA 1 68 PRO HD2 . . 3.760 2.442 2.372 2.518 . 0 0 "[ . 1 . 2]" 1
962 1 67 LYS HA 1 68 PRO HD3 . . 3.440 2.319 2.290 2.353 . 0 0 "[ . 1 . 2]" 1
963 1 67 LYS HA 1 69 ASN H . . 4.520 3.948 3.873 4.038 . 0 0 "[ . 1 . 2]" 1
964 1 67 LYS QB 1 67 LYS QD . . 2.950 2.249 2.111 2.377 . 0 0 "[ . 1 . 2]" 1
965 1 67 LYS QB 1 69 ASN H . . 4.470 2.546 2.232 2.757 . 0 0 "[ . 1 . 2]" 1
966 1 67 LYS HB2 1 67 LYS QD . . 3.450 2.680 2.268 3.439 . 0 0 "[ . 1 . 2]" 1
967 1 67 LYS HB2 1 70 THR H . . 5.500 4.625 4.170 4.935 . 0 0 "[ . 1 . 2]" 1
968 1 67 LYS HB3 1 67 LYS QD . . 3.450 2.626 2.290 3.054 . 0 0 "[ . 1 . 2]" 1
969 1 67 LYS HB3 1 70 THR H . . 5.500 5.605 5.497 5.697 0.197 4 0 "[ . 1 . 2]" 1
970 1 67 LYS QG 1 70 THR H . . 4.440 2.991 2.663 3.505 . 0 0 "[ . 1 . 2]" 1
971 1 68 PRO HA 1 69 ASN H . . 3.530 3.418 3.376 3.449 . 0 0 "[ . 1 . 2]" 1
972 1 68 PRO HA 1 69 ASN HA . . 5.160 4.878 4.812 4.904 . 0 0 "[ . 1 . 2]" 1
973 1 68 PRO HA 1 70 THR H . . 4.210 3.542 3.476 3.665 . 0 0 "[ . 1 . 2]" 1
974 1 68 PRO HA 1 70 THR HB . . 5.320 5.290 4.595 5.382 0.062 2 0 "[ . 1 . 2]" 1
975 1 68 PRO HD2 1 69 ASN H . . 4.830 2.781 2.727 2.862 . 0 0 "[ . 1 . 2]" 1
976 1 68 PRO HD2 1 69 ASN HA . . 5.360 5.194 5.164 5.242 . 0 0 "[ . 1 . 2]" 1
977 1 68 PRO QG 1 69 ASN H . . 3.890 2.871 2.748 3.029 . 0 0 "[ . 1 . 2]" 1
978 1 69 ASN H 1 70 THR H . . 3.900 2.711 2.584 2.767 . 0 0 "[ . 1 . 2]" 1
979 1 69 ASN QB 1 70 THR H . . 4.320 2.946 2.819 3.457 . 0 0 "[ . 1 . 2]" 1
980 1 70 THR H 1 70 THR HA . . 2.820 2.751 2.741 2.781 . 0 0 "[ . 1 . 2]" 1
981 1 70 THR H 1 70 THR HB . . 4.140 3.365 2.585 3.559 . 0 0 "[ . 1 . 2]" 1
982 1 70 THR H 1 70 THR MG . . 3.980 2.691 1.914 3.623 . 0 0 "[ . 1 . 2]" 1
983 1 70 THR H 1 71 LYS H . . 4.650 2.860 2.760 2.914 . 0 0 "[ . 1 . 2]" 1
984 1 70 THR H 1 71 LYS QB . . 5.340 4.917 4.724 5.271 . 0 0 "[ . 1 . 2]" 1
985 1 70 THR HA 1 70 THR HB . . 2.960 2.670 2.396 2.981 0.021 14 0 "[ . 1 . 2]" 1
986 1 70 THR HA 1 70 THR MG . . 2.990 2.339 2.131 3.204 0.214 6 0 "[ . 1 . 2]" 1
987 1 70 THR MG 1 71 LYS H . . 4.570 3.803 1.993 4.295 . 0 0 "[ . 1 . 2]" 1
988 1 71 LYS H 1 71 LYS QB . . 3.190 3.113 2.889 3.381 0.191 6 0 "[ . 1 . 2]" 1
989 1 71 LYS H 1 71 LYS QD . . 5.500 4.678 4.170 5.222 . 0 0 "[ . 1 . 2]" 1
990 1 71 LYS H 1 71 LYS QG . . 3.700 3.199 2.592 4.030 0.330 15 0 "[ . 1 . 2]" 1
991 1 71 LYS HA 1 71 LYS QG . . 3.600 2.412 2.149 3.338 . 0 0 "[ . 1 . 2]" 1
992 1 71 LYS HA 1 72 ILE H . . 2.990 2.177 2.141 2.282 . 0 0 "[ . 1 . 2]" 1
993 1 71 LYS QB 1 72 ILE H . . 3.990 3.485 2.690 3.722 . 0 0 "[ . 1 . 2]" 1
994 1 71 LYS QG 1 72 ILE H . . 4.730 3.846 3.048 4.387 . 0 0 "[ . 1 . 2]" 1
995 1 72 ILE H 1 72 ILE HB . . 4.180 2.974 2.799 3.252 . 0 0 "[ . 1 . 2]" 1
996 1 72 ILE H 1 72 ILE MD . . 4.230 4.061 3.988 4.108 . 0 0 "[ . 1 . 2]" 1
997 1 72 ILE H 1 72 ILE QG . . 4.910 4.164 4.099 4.238 . 0 0 "[ . 1 . 2]" 1
998 1 72 ILE H 1 72 ILE MG . . 3.450 2.134 2.043 2.291 . 0 0 "[ . 1 . 2]" 1
999 1 72 ILE H 1 73 MET H . . 4.720 4.506 4.401 4.572 . 0 0 "[ . 1 . 2]" 1
1000 1 72 ILE HA 1 72 ILE MD . . 3.990 3.385 3.327 3.437 . 0 0 "[ . 1 . 2]" 1
1001 1 72 ILE HA 1 72 ILE MG . . 3.520 3.200 3.198 3.201 . 0 0 "[ . 1 . 2]" 1
1002 1 72 ILE HA 1 73 MET H . . 3.130 2.245 2.232 2.255 . 0 0 "[ . 1 . 2]" 1
1003 1 72 ILE HB 1 72 ILE MD . . 3.580 3.161 3.149 3.171 . 0 0 "[ . 1 . 2]" 1
1004 1 72 ILE MD 1 72 ILE MG . . 2.400 1.829 1.818 1.840 . 0 0 "[ . 1 . 2]" 1
1005 1 72 ILE MD 1 73 MET H . . 4.070 2.641 2.544 2.759 . 0 0 "[ . 1 . 2]" 1
1006 1 72 ILE MD 1 73 MET QG . . 5.100 4.396 4.158 4.586 . 0 0 "[ . 1 . 2]" 1
1007 1 72 ILE MD 1 74 MET QB . . 3.790 3.257 2.276 3.638 . 0 0 "[ . 1 . 2]" 1
1008 1 72 ILE MD 1 74 MET QG . . 3.830 2.736 1.863 3.903 0.073 20 0 "[ . 1 . 2]" 1
1009 1 72 ILE QG 1 72 ILE MG . . 2.880 2.507 2.490 2.523 . 0 0 "[ . 1 . 2]" 1
1010 1 72 ILE HG12 1 72 ILE MG . . 3.360 3.138 3.126 3.150 . 0 0 "[ . 1 . 2]" 1
1011 1 72 ILE HG13 1 72 ILE MG . . 3.360 2.637 2.609 2.662 . 0 0 "[ . 1 . 2]" 1
1012 1 73 MET H 1 73 MET QB . . 3.370 2.494 2.335 2.758 . 0 0 "[ . 1 . 2]" 1
1013 1 73 MET H 1 73 MET QG . . 4.560 3.301 2.497 4.091 . 0 0 "[ . 1 . 2]" 1
1014 1 73 MET H 1 74 MET H . . 4.410 4.364 4.238 4.477 0.067 20 0 "[ . 1 . 2]" 1
1015 1 73 MET HA 1 73 MET HG2 . . 4.230 2.839 2.129 3.637 . 0 0 "[ . 1 . 2]" 1
1016 1 73 MET HA 1 73 MET HG3 . . 4.230 3.057 2.104 3.838 . 0 0 "[ . 1 . 2]" 1
1017 1 73 MET HA 1 74 MET H . . 2.920 2.166 2.141 2.216 . 0 0 "[ . 1 . 2]" 1
1018 1 73 MET HA 1 74 MET HA . . 4.560 4.386 4.362 4.400 . 0 0 "[ . 1 . 2]" 1
1019 1 73 MET QG 1 74 MET H . . 4.560 3.841 2.379 4.644 0.084 20 0 "[ . 1 . 2]" 1
1020 1 74 MET H 1 74 MET HB2 . . 3.760 2.586 2.259 3.762 0.002 11 0 "[ . 1 . 2]" 1
1021 1 74 MET H 1 74 MET QB . . 3.240 2.397 2.229 2.974 . 0 0 "[ . 1 . 2]" 1
1022 1 74 MET H 1 74 MET HB3 . . 3.760 3.252 2.621 3.730 . 0 0 "[ . 1 . 2]" 1
1023 1 74 MET HA 1 74 MET HG2 . . 4.230 2.647 2.173 3.755 . 0 0 "[ . 1 . 2]" 1
1024 1 74 MET HA 1 74 MET QG . . 3.630 2.362 2.119 3.320 . 0 0 "[ . 1 . 2]" 1
1025 1 74 MET HA 1 74 MET HG3 . . 4.230 2.895 2.165 3.729 . 0 0 "[ . 1 . 2]" 1
1026 1 74 MET HA 1 75 MET H . . 3.230 2.204 2.142 2.272 . 0 0 "[ . 1 . 2]" 1
1027 1 74 MET HA 1 75 MET HA . . 4.730 4.421 4.391 4.444 . 0 0 "[ . 1 . 2]" 1
1028 1 74 MET QB 1 77 THR MG . . 4.520 2.950 1.897 4.484 . 0 0 "[ . 1 . 2]" 1
1029 1 75 MET H 1 75 MET HB2 . . 4.110 3.168 2.301 3.800 . 0 0 "[ . 1 . 2]" 1
1030 1 75 MET H 1 75 MET QB . . 3.560 2.663 2.272 3.224 . 0 0 "[ . 1 . 2]" 1
1031 1 75 MET H 1 75 MET HB3 . . 4.110 3.021 2.471 3.895 . 0 0 "[ . 1 . 2]" 1
1032 1 75 MET H 1 75 MET HG2 . . 5.190 4.244 2.219 4.933 . 0 0 "[ . 1 . 2]" 1
1033 1 75 MET H 1 75 MET QG . . 4.480 3.721 2.167 4.260 . 0 0 "[ . 1 . 2]" 1
1034 1 75 MET H 1 75 MET HG3 . . 5.190 4.200 2.667 5.013 . 0 0 "[ . 1 . 2]" 1
1035 1 75 MET H 1 76 GLY H . . 5.090 4.403 4.326 4.545 . 0 0 "[ . 1 . 2]" 1
1036 1 75 MET HA 1 75 MET HG2 . . 4.220 3.217 2.201 3.861 . 0 0 "[ . 1 . 2]" 1
1037 1 75 MET HA 1 75 MET QG . . 3.660 2.569 2.091 3.319 . 0 0 "[ . 1 . 2]" 1
1038 1 75 MET HA 1 75 MET HG3 . . 4.220 2.918 2.141 3.848 . 0 0 "[ . 1 . 2]" 1
1039 1 75 MET HA 1 76 GLY H . . 3.360 2.269 2.194 2.435 . 0 0 "[ . 1 . 2]" 1
1040 1 75 MET HB2 1 76 GLY H . . 4.350 3.851 2.471 4.322 . 0 0 "[ . 1 . 2]" 1
1041 1 75 MET HB3 1 76 GLY H . . 4.350 3.689 2.823 4.186 . 0 0 "[ . 1 . 2]" 1
1042 1 75 MET QG 1 76 GLY H . . 4.590 2.799 1.899 4.353 . 0 0 "[ . 1 . 2]" 1
1043 1 76 GLY H 1 77 THR H . . 5.120 2.825 2.501 4.394 . 0 0 "[ . 1 . 2]" 1
1044 1 76 GLY QA 1 77 THR H . . 2.970 2.738 2.130 2.918 . 0 0 "[ . 1 . 2]" 1
1045 1 77 THR H 1 77 THR MG . . 4.400 3.008 2.427 3.891 . 0 0 "[ . 1 . 2]" 1
1046 1 77 THR HA 1 77 THR MG . . 3.380 2.184 2.004 2.392 . 0 0 "[ . 1 . 2]" 1
1047 1 77 THR HB 1 78 ARG H . . 4.410 3.826 1.951 4.376 . 0 0 "[ . 1 . 2]" 1
1048 1 77 THR MG 1 78 ARG H . . 4.530 4.084 3.000 4.356 . 0 0 "[ . 1 . 2]" 1
1049 1 78 ARG H 1 79 GLU H . . 4.820 4.110 2.706 4.645 . 0 0 "[ . 1 . 2]" 1
1050 1 78 ARG HA 1 78 ARG HG2 . . 3.990 2.964 2.173 4.126 0.136 11 0 "[ . 1 . 2]" 1
1051 1 78 ARG HA 1 78 ARG QG . . 3.490 2.551 2.133 3.365 . 0 0 "[ . 1 . 2]" 1
1052 1 78 ARG HA 1 78 ARG HG3 . . 3.990 3.069 2.170 3.821 . 0 0 "[ . 1 . 2]" 1
1053 1 78 ARG HA 1 79 GLU H . . 3.270 2.462 2.143 2.911 . 0 0 "[ . 1 . 2]" 1
1054 1 79 GLU H 1 79 GLU QB . . 3.480 2.673 2.258 3.387 . 0 0 "[ . 1 . 2]" 1
1055 1 79 GLU H 1 79 GLU QG . . 4.140 3.462 2.076 4.155 0.015 11 0 "[ . 1 . 2]" 1
1056 1 79 GLU HA 1 79 GLU QG . . 3.810 2.661 2.302 3.438 . 0 0 "[ . 1 . 2]" 1
1057 1 79 GLU HA 1 80 GLU H . . 3.420 2.592 2.140 3.445 0.025 1 0 "[ . 1 . 2]" 1
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