NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463914 |
2ysx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ysx
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 1743
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 47.898
_Distance_constraint_stats_list.Viol_max 0.131
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0115
_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 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.004 0.004 7 0 "[ . 1 . 2]"
1 12 TRP 0.006 0.002 7 0 "[ . 1 . 2]"
1 13 ASN 0.001 0.001 10 0 "[ . 1 . 2]"
1 14 HIS 0.023 0.008 16 0 "[ . 1 . 2]"
1 15 GLY 0.005 0.005 11 0 "[ . 1 . 2]"
1 16 ASN 0.002 0.002 17 0 "[ . 1 . 2]"
1 17 ILE 0.007 0.002 11 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 17 0 "[ . 1 . 2]"
1 19 ARG 0.113 0.058 8 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.010 0.003 11 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 0.057 0.023 17 0 "[ . 1 . 2]"
1 25 LEU 0.027 0.016 16 0 "[ . 1 . 2]"
1 26 LEU 0.028 0.009 11 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.305 0.069 5 0 "[ . 1 . 2]"
1 29 THR 0.001 0.001 7 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.007 0.004 11 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.001 0.001 6 0 "[ . 1 . 2]"
1 34 SER 0.006 0.003 1 0 "[ . 1 . 2]"
1 35 PHE 0.006 0.003 12 0 "[ . 1 . 2]"
1 36 LEU 0.004 0.003 6 0 "[ . 1 . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.007 0.005 11 0 "[ . 1 . 2]"
1 39 ALA 0.007 0.002 17 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 19 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.013 0.010 18 0 "[ . 1 . 2]"
1 44 SER 0.001 0.001 17 0 "[ . 1 . 2]"
1 45 ARG 0.028 0.017 14 0 "[ . 1 . 2]"
1 46 ALA 0.036 0.011 4 0 "[ . 1 . 2]"
1 47 TYR 0.005 0.002 17 0 "[ . 1 . 2]"
1 48 ALA 0.011 0.004 14 0 "[ . 1 . 2]"
1 49 LEU 0.008 0.006 11 0 "[ . 1 . 2]"
1 50 CYS 0.002 0.002 16 0 "[ . 1 . 2]"
1 51 VAL 0.002 0.002 16 0 "[ . 1 . 2]"
1 52 LEU 0.001 0.001 9 0 "[ . 1 . 2]"
1 53 TYR 0.010 0.007 11 0 "[ . 1 . 2]"
1 54 ARG 0.077 0.021 5 0 "[ . 1 . 2]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.031 0.014 11 0 "[ . 1 . 2]"
1 58 TYR 0.018 0.014 11 0 "[ . 1 . 2]"
1 59 THR 0.016 0.010 3 0 "[ . 1 . 2]"
1 60 TYR 0.016 0.005 14 0 "[ . 1 . 2]"
1 61 ARG 0.026 0.012 10 0 "[ . 1 . 2]"
1 62 ILE 0.015 0.004 17 0 "[ . 1 . 2]"
1 63 LEU 0.061 0.021 11 0 "[ . 1 . 2]"
1 64 PRO 0.062 0.021 11 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASP 0.013 0.007 4 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.008 0.005 7 0 "[ . 1 . 2]"
1 70 PHE 0.004 0.004 17 0 "[ . 1 . 2]"
1 71 THR 0.005 0.004 16 0 "[ . 1 . 2]"
1 72 VAL 0.073 0.053 17 0 "[ . 1 . 2]"
1 73 GLN 0.145 0.053 17 0 "[ . 1 . 2]"
1 74 ALA 0.067 0.042 11 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.011 0.008 9 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 MET 0.072 0.072 2 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 9 0 "[ . 1 . 2]"
1 84 THR 0.003 0.003 13 0 "[ . 1 . 2]"
1 85 LYS 0.008 0.006 17 0 "[ . 1 . 2]"
1 86 LEU 0.004 0.003 10 0 "[ . 1 . 2]"
1 87 ASP 0.009 0.003 10 0 "[ . 1 . 2]"
1 88 GLN 0.005 0.002 10 0 "[ . 1 . 2]"
1 89 LEU 0.002 0.001 9 0 "[ . 1 . 2]"
1 90 ILE 0.001 0.001 18 0 "[ . 1 . 2]"
1 91 GLU 0.495 0.092 9 0 "[ . 1 . 2]"
1 92 PHE 0.007 0.003 15 0 "[ . 1 . 2]"
1 93 TYR 0.009 0.003 15 0 "[ . 1 . 2]"
1 94 LYS 0.059 0.021 17 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.334 0.079 18 0 "[ . 1 . 2]"
1 97 ASN 0.385 0.131 20 0 "[ . 1 . 2]"
1 98 MET 0.156 0.131 20 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.007 0.002 16 0 "[ . 1 . 2]"
1 101 VAL 0.005 0.004 16 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 1 0 "[ . 1 . 2]"
1 103 HIS 0.002 0.001 20 0 "[ . 1 . 2]"
1 104 LEU 0.020 0.008 16 0 "[ . 1 . 2]"
1 105 GLN 0.003 0.001 4 0 "[ . 1 . 2]"
1 106 TYR 0.255 0.046 8 0 "[ . 1 . 2]"
1 107 PRO 0.232 0.046 8 0 "[ . 1 . 2]"
1 108 VAL 0.020 0.007 11 0 "[ . 1 . 2]"
1 109 PRO 0.004 0.004 7 0 "[ . 1 . 2]"
1 110 LEU 0.025 0.008 16 0 "[ . 1 . 2]"
1 111 GLU 0.024 0.016 16 0 "[ . 1 . 2]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 MET H 1 8 MET QB . . 3.680 2.604 2.178 3.361 . 0 0 "[ . 1 . 2]" 1
2 1 8 MET HA 1 9 VAL H . . 3.320 2.333 2.142 3.285 . 0 0 "[ . 1 . 2]" 1
3 1 8 MET HA 1 9 VAL MG1 . . 5.500 3.868 3.448 4.638 . 0 0 "[ . 1 . 2]" 1
4 1 8 MET HA 1 9 VAL QG . . 4.720 3.427 3.133 4.259 . 0 0 "[ . 1 . 2]" 1
5 1 8 MET HA 1 9 VAL MG2 . . 5.500 3.984 3.259 5.492 . 0 0 "[ . 1 . 2]" 1
6 1 8 MET QB 1 9 VAL H . . 4.210 3.196 2.267 3.904 . 0 0 "[ . 1 . 2]" 1
7 1 9 VAL H 1 9 VAL MG1 . . 4.320 2.627 1.877 3.391 . 0 0 "[ . 1 . 2]" 1
8 1 9 VAL H 1 9 VAL QG . . 3.790 1.987 1.808 2.204 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL H 1 9 VAL MG2 . . 4.320 2.253 1.882 3.771 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL HA 1 10 PRO HD2 . . 3.130 2.252 2.062 2.365 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL HA 1 10 PRO QD . . 2.690 2.010 1.915 2.070 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL HA 1 10 PRO HD3 . . 3.130 2.264 2.253 2.287 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL HA 1 10 PRO QG . . 4.300 3.914 3.815 3.980 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL HB 1 10 PRO QD . . 3.790 2.355 1.993 3.428 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL QG 1 10 PRO QD . . 3.570 2.768 1.799 3.017 . 0 0 "[ . 1 . 2]" 1
16 1 10 PRO HA 1 12 TRP H . . 4.400 3.865 3.348 4.281 . 0 0 "[ . 1 . 2]" 1
17 1 10 PRO QB 1 12 TRP H . . 4.000 2.902 2.077 3.543 . 0 0 "[ . 1 . 2]" 1
18 1 10 PRO QB 1 12 TRP HE1 . . 4.240 2.816 2.276 3.350 . 0 0 "[ . 1 . 2]" 1
19 1 10 PRO QB 1 12 TRP HH2 . . 4.860 3.783 3.113 4.797 . 0 0 "[ . 1 . 2]" 1
20 1 10 PRO QB 1 12 TRP HZ2 . . 4.260 2.649 2.096 3.317 . 0 0 "[ . 1 . 2]" 1
21 1 10 PRO HB2 1 12 TRP H . . 4.700 2.962 2.086 3.684 . 0 0 "[ . 1 . 2]" 1
22 1 10 PRO HB3 1 12 TRP H . . 4.700 4.268 3.811 4.682 . 0 0 "[ . 1 . 2]" 1
23 1 10 PRO QG 1 12 TRP HH2 . . 4.470 3.592 2.722 4.444 . 0 0 "[ . 1 . 2]" 1
24 1 10 PRO QG 1 12 TRP HZ2 . . 3.930 3.423 2.622 3.927 . 0 0 "[ . 1 . 2]" 1
25 1 11 CYS HA 1 13 ASN H . . 4.550 3.537 3.217 3.986 . 0 0 "[ . 1 . 2]" 1
26 1 11 CYS HA 1 110 LEU MD1 . . 4.230 3.374 2.161 3.992 . 0 0 "[ . 1 . 2]" 1
27 1 11 CYS HA 1 110 LEU MD2 . . 4.340 3.593 2.428 4.341 0.001 18 0 "[ . 1 . 2]" 1
28 1 11 CYS HA 1 110 LEU HG . . 4.570 3.101 2.176 4.046 . 0 0 "[ . 1 . 2]" 1
29 1 11 CYS QB 1 12 TRP H . . 4.390 3.343 2.487 3.861 . 0 0 "[ . 1 . 2]" 1
30 1 11 CYS QB 1 109 PRO HA . . 3.980 2.490 2.017 3.554 . 0 0 "[ . 1 . 2]" 1
31 1 11 CYS QB 1 109 PRO HB2 . . 5.060 3.827 3.110 4.504 . 0 0 "[ . 1 . 2]" 1
32 1 11 CYS QB 1 109 PRO HB3 . . 3.960 3.207 2.389 3.828 . 0 0 "[ . 1 . 2]" 1
33 1 11 CYS QB 1 110 LEU H . . 4.130 2.943 2.540 3.672 . 0 0 "[ . 1 . 2]" 1
34 1 11 CYS HB2 1 109 PRO HA . . 4.570 3.301 2.110 4.527 . 0 0 "[ . 1 . 2]" 1
35 1 11 CYS HB2 1 109 PRO HB3 . . 4.550 3.905 2.908 4.554 0.004 7 0 "[ . 1 . 2]" 1
36 1 11 CYS HB2 1 110 LEU H . . 4.850 4.241 2.599 4.849 . 0 0 "[ . 1 . 2]" 1
37 1 11 CYS HB3 1 109 PRO HA . . 4.570 2.883 2.060 4.494 . 0 0 "[ . 1 . 2]" 1
38 1 11 CYS HB3 1 109 PRO HB3 . . 4.550 3.601 2.443 4.549 . 0 0 "[ . 1 . 2]" 1
39 1 11 CYS HB3 1 110 LEU H . . 4.850 3.281 2.563 4.696 . 0 0 "[ . 1 . 2]" 1
40 1 12 TRP H 1 12 TRP HD1 . . 4.020 3.000 2.408 3.769 . 0 0 "[ . 1 . 2]" 1
41 1 12 TRP H 1 13 ASN H . . 3.710 2.427 2.037 2.752 . 0 0 "[ . 1 . 2]" 1
42 1 12 TRP HB2 1 37 VAL MG2 . . 4.570 3.186 2.693 3.581 . 0 0 "[ . 1 . 2]" 1
43 1 12 TRP HB2 1 107 PRO HB2 . . 4.850 4.195 3.649 4.670 . 0 0 "[ . 1 . 2]" 1
44 1 12 TRP HB2 1 107 PRO QB . . 4.180 3.777 3.387 4.178 . 0 0 "[ . 1 . 2]" 1
45 1 12 TRP HB2 1 107 PRO HB3 . . 4.850 4.315 3.850 4.809 . 0 0 "[ . 1 . 2]" 1
46 1 12 TRP HB3 1 12 TRP HD1 . . 3.820 2.590 2.555 2.668 . 0 0 "[ . 1 . 2]" 1
47 1 12 TRP HB3 1 107 PRO HA . . 4.760 3.306 2.839 4.087 . 0 0 "[ . 1 . 2]" 1
48 1 12 TRP HB3 1 107 PRO HB2 . . 4.210 2.475 2.000 2.942 . 0 0 "[ . 1 . 2]" 1
49 1 12 TRP HB3 1 107 PRO HB3 . . 4.210 2.919 2.296 3.518 . 0 0 "[ . 1 . 2]" 1
50 1 12 TRP HB3 1 107 PRO QG . . 4.690 4.242 3.834 4.669 . 0 0 "[ . 1 . 2]" 1
51 1 12 TRP HD1 1 35 PHE HZ . . 4.280 3.616 2.560 4.215 . 0 0 "[ . 1 . 2]" 1
52 1 12 TRP HD1 1 90 ILE MG . . 4.410 4.136 3.583 4.411 0.001 18 0 "[ . 1 . 2]" 1
53 1 12 TRP HD1 1 107 PRO HA . . 5.170 4.610 3.935 5.133 . 0 0 "[ . 1 . 2]" 1
54 1 12 TRP HD1 1 107 PRO HB2 . . 4.190 2.693 2.091 3.406 . 0 0 "[ . 1 . 2]" 1
55 1 12 TRP HD1 1 107 PRO QB . . 3.560 2.415 1.897 2.820 . 0 0 "[ . 1 . 2]" 1
56 1 12 TRP HD1 1 107 PRO HB3 . . 4.190 2.781 2.174 3.288 . 0 0 "[ . 1 . 2]" 1
57 1 12 TRP HD1 1 107 PRO QG . . 4.450 3.486 2.946 4.054 . 0 0 "[ . 1 . 2]" 1
58 1 12 TRP HE1 1 90 ILE MG . . 4.520 3.791 2.781 4.140 . 0 0 "[ . 1 . 2]" 1
59 1 12 TRP HE3 1 13 ASN H . . 4.230 3.337 2.806 4.190 . 0 0 "[ . 1 . 2]" 1
60 1 12 TRP HE3 1 13 ASN HA . . 4.150 2.852 2.466 3.805 . 0 0 "[ . 1 . 2]" 1
61 1 12 TRP HE3 1 13 ASN HB2 . . 4.750 2.752 2.100 3.812 . 0 0 "[ . 1 . 2]" 1
62 1 12 TRP HE3 1 13 ASN QB . . 4.090 2.635 2.081 3.104 . 0 0 "[ . 1 . 2]" 1
63 1 12 TRP HE3 1 13 ASN HB3 . . 4.750 4.072 2.096 4.598 . 0 0 "[ . 1 . 2]" 1
64 1 12 TRP HE3 1 37 VAL H . . 4.780 3.697 3.309 4.240 . 0 0 "[ . 1 . 2]" 1
65 1 12 TRP HE3 1 37 VAL HB . . 3.590 2.602 2.040 3.282 . 0 0 "[ . 1 . 2]" 1
66 1 12 TRP HE3 1 37 VAL MG1 . . 4.100 3.817 3.464 4.099 . 0 0 "[ . 1 . 2]" 1
67 1 12 TRP HE3 1 37 VAL MG2 . . 3.450 2.220 1.882 2.751 . 0 0 "[ . 1 . 2]" 1
68 1 12 TRP HE3 1 86 LEU MD1 . . 4.850 4.199 3.795 4.701 . 0 0 "[ . 1 . 2]" 1
69 1 12 TRP HH2 1 37 VAL MG2 . . 4.770 4.424 4.037 4.673 . 0 0 "[ . 1 . 2]" 1
70 1 12 TRP HH2 1 86 LEU HB2 . . 4.400 3.902 2.630 4.394 . 0 0 "[ . 1 . 2]" 1
71 1 12 TRP HH2 1 86 LEU HB3 . . 4.020 2.401 2.014 2.661 . 0 0 "[ . 1 . 2]" 1
72 1 12 TRP HH2 1 86 LEU MD1 . . 4.330 2.769 2.082 3.879 . 0 0 "[ . 1 . 2]" 1
73 1 12 TRP HH2 1 86 LEU HG . . 4.130 3.816 3.106 4.124 . 0 0 "[ . 1 . 2]" 1
74 1 12 TRP HH2 1 87 ASP HA . . 3.770 2.597 2.225 3.250 . 0 0 "[ . 1 . 2]" 1
75 1 12 TRP HH2 1 87 ASP HB2 . . 4.530 3.672 2.791 4.530 0.000 4 0 "[ . 1 . 2]" 1
76 1 12 TRP HH2 1 87 ASP QB . . 3.880 3.155 2.649 3.746 . 0 0 "[ . 1 . 2]" 1
77 1 12 TRP HH2 1 87 ASP HB3 . . 4.530 3.825 2.707 4.503 . 0 0 "[ . 1 . 2]" 1
78 1 12 TRP HH2 1 90 ILE HG12 . . 4.790 3.783 3.224 4.321 . 0 0 "[ . 1 . 2]" 1
79 1 12 TRP HZ2 1 87 ASP HA . . 3.310 2.200 2.003 2.886 . 0 0 "[ . 1 . 2]" 1
80 1 12 TRP HZ2 1 87 ASP HB2 . . 3.810 2.572 1.998 3.802 . 0 0 "[ . 1 . 2]" 1
81 1 12 TRP HZ2 1 87 ASP QB . . 3.330 2.161 1.897 2.585 . 0 0 "[ . 1 . 2]" 1
82 1 12 TRP HZ2 1 87 ASP HB3 . . 3.810 3.086 2.043 3.812 0.002 7 0 "[ . 1 . 2]" 1
83 1 12 TRP HZ2 1 90 ILE HB . . 4.640 3.814 2.930 4.290 . 0 0 "[ . 1 . 2]" 1
84 1 12 TRP HZ2 1 90 ILE HG12 . . 4.840 4.375 3.983 4.746 . 0 0 "[ . 1 . 2]" 1
85 1 12 TRP HZ2 1 90 ILE HG13 . . 4.770 3.714 3.157 4.191 . 0 0 "[ . 1 . 2]" 1
86 1 12 TRP HZ2 1 90 ILE MG . . 4.570 4.329 3.562 4.570 . 0 0 "[ . 1 . 2]" 1
87 1 12 TRP HZ3 1 13 ASN HB2 . . 4.840 2.668 2.093 3.689 . 0 0 "[ . 1 . 2]" 1
88 1 12 TRP HZ3 1 13 ASN QB . . 4.230 2.576 2.072 3.026 . 0 0 "[ . 1 . 2]" 1
89 1 12 TRP HZ3 1 13 ASN HB3 . . 4.840 4.140 2.319 4.745 . 0 0 "[ . 1 . 2]" 1
90 1 12 TRP HZ3 1 37 VAL HB . . 4.350 3.325 2.900 3.865 . 0 0 "[ . 1 . 2]" 1
91 1 12 TRP HZ3 1 37 VAL MG1 . . 4.140 3.247 2.724 3.576 . 0 0 "[ . 1 . 2]" 1
92 1 12 TRP HZ3 1 37 VAL MG2 . . 3.690 2.627 1.979 3.427 . 0 0 "[ . 1 . 2]" 1
93 1 12 TRP HZ3 1 86 LEU HB2 . . 5.470 4.618 3.426 5.410 . 0 0 "[ . 1 . 2]" 1
94 1 12 TRP HZ3 1 86 LEU HB3 . . 4.730 3.346 2.436 4.061 . 0 0 "[ . 1 . 2]" 1
95 1 12 TRP HZ3 1 86 LEU MD1 . . 3.800 2.540 2.007 3.111 . 0 0 "[ . 1 . 2]" 1
96 1 12 TRP HZ3 1 86 LEU HG . . 4.440 3.168 2.260 3.764 . 0 0 "[ . 1 . 2]" 1
97 1 13 ASN H 1 13 ASN HB2 . . 3.680 2.797 2.453 3.677 . 0 0 "[ . 1 . 2]" 1
98 1 13 ASN H 1 13 ASN HB3 . . 3.680 2.704 2.587 3.063 . 0 0 "[ . 1 . 2]" 1
99 1 13 ASN HA 1 14 HIS H . . 3.440 2.271 2.140 2.505 . 0 0 "[ . 1 . 2]" 1
100 1 13 ASN HA 1 14 HIS HA . . 5.110 4.501 4.386 4.668 . 0 0 "[ . 1 . 2]" 1
101 1 13 ASN HA 1 14 HIS HD2 . . 4.680 3.774 3.037 4.333 . 0 0 "[ . 1 . 2]" 1
102 1 13 ASN HA 1 15 GLY H . . 4.420 4.089 3.481 4.411 . 0 0 "[ . 1 . 2]" 1
103 1 13 ASN HA 1 37 VAL H . . 4.500 3.093 2.149 3.753 . 0 0 "[ . 1 . 2]" 1
104 1 13 ASN HA 1 37 VAL HB . . 3.780 2.254 2.000 2.751 . 0 0 "[ . 1 . 2]" 1
105 1 13 ASN HA 1 37 VAL MG1 . . 3.760 3.571 3.302 3.733 . 0 0 "[ . 1 . 2]" 1
106 1 13 ASN HA 1 37 VAL MG2 . . 4.990 3.584 2.760 4.246 . 0 0 "[ . 1 . 2]" 1
107 1 13 ASN QD 1 86 LEU MD1 . . 4.280 3.446 2.773 3.837 . 0 0 "[ . 1 . 2]" 1
108 1 13 ASN QD 1 86 LEU MD2 . . 4.300 3.917 3.291 4.294 . 0 0 "[ . 1 . 2]" 1
109 1 13 ASN HD21 1 86 LEU MD1 . . 5.020 3.664 2.919 4.052 . 0 0 "[ . 1 . 2]" 1
110 1 13 ASN HD21 1 86 LEU MD2 . . 4.970 4.515 3.851 4.971 0.001 10 0 "[ . 1 . 2]" 1
111 1 13 ASN HD22 1 86 LEU MD1 . . 5.020 4.251 3.459 5.011 . 0 0 "[ . 1 . 2]" 1
112 1 13 ASN HD22 1 86 LEU MD2 . . 4.970 4.351 3.429 4.967 . 0 0 "[ . 1 . 2]" 1
113 1 14 HIS H 1 14 HIS HB2 . . 3.890 2.393 2.253 2.536 . 0 0 "[ . 1 . 2]" 1
114 1 14 HIS H 1 14 HIS HD2 . . 3.820 2.287 1.928 2.811 . 0 0 "[ . 1 . 2]" 1
115 1 14 HIS H 1 15 GLY H . . 3.740 2.873 2.346 3.246 . 0 0 "[ . 1 . 2]" 1
116 1 14 HIS H 1 37 VAL HB . . 4.480 3.792 3.121 4.406 . 0 0 "[ . 1 . 2]" 1
117 1 14 HIS H 1 38 ARG HA . . 4.790 3.967 3.076 4.696 . 0 0 "[ . 1 . 2]" 1
118 1 14 HIS HA 1 14 HIS HD2 . . 4.430 3.479 3.230 3.806 . 0 0 "[ . 1 . 2]" 1
119 1 14 HIS HA 1 17 ILE MD . . 5.400 4.983 4.659 5.400 . 0 0 "[ . 1 . 2]" 1
120 1 14 HIS HA 1 17 ILE MG . . 4.630 4.218 3.808 4.612 . 0 0 "[ . 1 . 2]" 1
121 1 14 HIS HA 1 110 LEU MD1 . . 3.770 3.505 2.869 3.769 . 0 0 "[ . 1 . 2]" 1
122 1 14 HIS HA 1 110 LEU MD2 . . 3.480 1.972 1.826 2.101 . 0 0 "[ . 1 . 2]" 1
123 1 14 HIS HA 1 110 LEU HG . . 4.660 4.516 3.829 4.662 0.002 7 0 "[ . 1 . 2]" 1
124 1 14 HIS HB2 1 15 GLY H . . 4.590 2.548 2.043 4.229 . 0 0 "[ . 1 . 2]" 1
125 1 14 HIS HB2 1 17 ILE MD . . 3.650 2.677 2.198 3.140 . 0 0 "[ . 1 . 2]" 1
126 1 14 HIS HB2 1 17 ILE HG12 . . 5.070 3.472 2.680 4.218 . 0 0 "[ . 1 . 2]" 1
127 1 14 HIS HB2 1 17 ILE MG . . 3.610 2.943 2.143 3.518 . 0 0 "[ . 1 . 2]" 1
128 1 14 HIS HB2 1 36 LEU MD1 . . 4.500 3.709 3.431 3.938 . 0 0 "[ . 1 . 2]" 1
129 1 14 HIS HB2 1 38 ARG HA . . 4.730 3.575 3.077 4.102 . 0 0 "[ . 1 . 2]" 1
130 1 14 HIS HB2 1 38 ARG HB3 . . 5.390 3.656 2.800 4.744 . 0 0 "[ . 1 . 2]" 1
131 1 14 HIS HB2 1 110 LEU MD2 . . 4.410 3.894 3.761 4.059 . 0 0 "[ . 1 . 2]" 1
132 1 14 HIS HB3 1 17 ILE MD . . 3.640 2.997 2.384 3.488 . 0 0 "[ . 1 . 2]" 1
133 1 14 HIS HB3 1 17 ILE HG12 . . 4.570 3.816 2.063 4.545 . 0 0 "[ . 1 . 2]" 1
134 1 14 HIS HB3 1 17 ILE MG . . 3.530 2.220 1.970 2.679 . 0 0 "[ . 1 . 2]" 1
135 1 14 HIS HB3 1 36 LEU MD1 . . 5.130 4.976 4.628 5.130 . 0 0 "[ . 1 . 2]" 1
136 1 14 HIS HB3 1 110 LEU MD1 . . 5.500 5.212 4.479 5.508 0.008 16 0 "[ . 1 . 2]" 1
137 1 14 HIS HB3 1 110 LEU MD2 . . 4.720 3.337 2.916 3.763 . 0 0 "[ . 1 . 2]" 1
138 1 14 HIS HD2 1 36 LEU HB2 . . 4.040 2.849 2.284 3.199 . 0 0 "[ . 1 . 2]" 1
139 1 14 HIS HD2 1 36 LEU HB3 . . 4.440 4.109 3.513 4.440 . 0 0 "[ . 1 . 2]" 1
140 1 14 HIS HD2 1 36 LEU MD1 . . 4.340 3.733 3.060 4.317 . 0 0 "[ . 1 . 2]" 1
141 1 14 HIS HD2 1 36 LEU MD2 . . 4.590 4.074 3.526 4.592 0.002 11 0 "[ . 1 . 2]" 1
142 1 14 HIS HD2 1 37 VAL H . . 4.280 3.307 2.740 3.704 . 0 0 "[ . 1 . 2]" 1
143 1 14 HIS HD2 1 110 LEU MD1 . . 5.500 5.384 5.081 5.502 0.002 4 0 "[ . 1 . 2]" 1
144 1 14 HIS HE1 1 25 LEU MD1 . . 3.340 2.124 1.949 2.605 . 0 0 "[ . 1 . 2]" 1
145 1 14 HIS HE1 1 25 LEU MD2 . . 4.110 2.436 1.861 3.083 . 0 0 "[ . 1 . 2]" 1
146 1 14 HIS HE1 1 36 LEU MD2 . . 4.430 4.233 3.655 4.433 0.003 6 0 "[ . 1 . 2]" 1
147 1 14 HIS HE1 1 108 VAL QG . . 4.120 3.603 2.976 4.121 0.001 17 0 "[ . 1 . 2]" 1
148 1 14 HIS HE1 1 110 LEU HA . . 3.520 2.492 2.199 2.914 . 0 0 "[ . 1 . 2]" 1
149 1 14 HIS HE1 1 110 LEU MD2 . . 4.780 3.332 2.529 3.853 . 0 0 "[ . 1 . 2]" 1
150 1 14 HIS HE1 1 111 GLU H . . 4.490 3.404 2.555 4.045 . 0 0 "[ . 1 . 2]" 1
151 1 14 HIS HE1 1 111 GLU QB . . 4.810 3.707 2.416 4.594 . 0 0 "[ . 1 . 2]" 1
152 1 15 GLY H 1 38 ARG HA . . 4.270 2.620 1.905 4.275 0.005 11 0 "[ . 1 . 2]" 1
153 1 15 GLY QA 1 39 ALA MB . . 3.940 3.028 2.297 3.729 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLY HA2 1 39 ALA MB . . 4.710 3.147 2.341 3.915 . 0 0 "[ . 1 . 2]" 1
155 1 15 GLY HA3 1 39 ALA MB . . 4.710 3.977 2.843 4.687 . 0 0 "[ . 1 . 2]" 1
156 1 16 ASN HA 1 17 ILE H . . 3.310 2.318 2.140 2.678 . 0 0 "[ . 1 . 2]" 1
157 1 16 ASN HA 1 39 ALA H . . 4.120 3.247 2.332 4.065 . 0 0 "[ . 1 . 2]" 1
158 1 16 ASN HA 1 39 ALA MB . . 3.340 2.437 1.975 3.078 . 0 0 "[ . 1 . 2]" 1
159 1 16 ASN QB 1 39 ALA MB . . 3.770 3.079 2.100 3.643 . 0 0 "[ . 1 . 2]" 1
160 1 16 ASN HB2 1 17 ILE H . . 4.710 4.345 3.861 4.656 . 0 0 "[ . 1 . 2]" 1
161 1 16 ASN HB2 1 39 ALA MB . . 4.330 3.606 2.869 4.326 . 0 0 "[ . 1 . 2]" 1
162 1 16 ASN HB3 1 17 ILE H . . 4.710 4.310 3.618 4.524 . 0 0 "[ . 1 . 2]" 1
163 1 16 ASN HB3 1 39 ALA MB . . 4.330 3.702 2.141 4.332 0.002 17 0 "[ . 1 . 2]" 1
164 1 17 ILE H 1 17 ILE HB . . 3.960 3.819 3.681 3.903 . 0 0 "[ . 1 . 2]" 1
165 1 17 ILE H 1 17 ILE MD . . 4.090 3.947 3.745 4.084 . 0 0 "[ . 1 . 2]" 1
166 1 17 ILE H 1 17 ILE HG12 . . 3.650 2.402 2.061 2.607 . 0 0 "[ . 1 . 2]" 1
167 1 17 ILE H 1 17 ILE HG13 . . 3.700 2.873 2.303 3.426 . 0 0 "[ . 1 . 2]" 1
168 1 17 ILE H 1 17 ILE MG . . 3.440 2.934 2.267 3.106 . 0 0 "[ . 1 . 2]" 1
169 1 17 ILE H 1 38 ARG HB2 . . 4.360 3.078 2.594 3.457 . 0 0 "[ . 1 . 2]" 1
170 1 17 ILE H 1 39 ALA H . . 4.690 3.497 2.734 4.410 . 0 0 "[ . 1 . 2]" 1
171 1 17 ILE H 1 39 ALA MB . . 4.720 3.888 3.255 4.722 0.002 11 0 "[ . 1 . 2]" 1
172 1 17 ILE HB 1 17 ILE MD . . 3.320 2.311 2.195 2.450 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE HB 1 18 THR H . . 3.510 2.612 2.305 2.848 . 0 0 "[ . 1 . 2]" 1
174 1 17 ILE HB 1 21 LYS HE2 . . 5.500 4.973 4.373 5.486 . 0 0 "[ . 1 . 2]" 1
175 1 17 ILE HB 1 21 LYS QE . . 4.800 4.497 3.719 4.801 0.001 6 0 "[ . 1 . 2]" 1
176 1 17 ILE HB 1 21 LYS HE3 . . 5.500 5.279 3.785 5.502 0.002 11 0 "[ . 1 . 2]" 1
177 1 17 ILE HB 1 21 LYS HG2 . . 4.150 2.401 2.005 2.829 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE HB 1 21 LYS QG . . 3.640 2.359 1.982 2.774 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE HB 1 21 LYS HG3 . . 4.150 3.592 3.026 4.085 . 0 0 "[ . 1 . 2]" 1
180 1 17 ILE MD 1 17 ILE MG . . 3.040 2.183 1.964 2.462 . 0 0 "[ . 1 . 2]" 1
181 1 17 ILE MD 1 18 THR H . . 4.450 4.286 3.992 4.436 . 0 0 "[ . 1 . 2]" 1
182 1 17 ILE MD 1 21 LYS QB . . 3.720 2.657 2.031 3.572 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE MD 1 21 LYS HG2 . . 3.740 2.682 1.950 3.669 . 0 0 "[ . 1 . 2]" 1
184 1 17 ILE MD 1 21 LYS HG3 . . 3.740 2.753 2.092 3.681 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE MD 1 22 ALA H . . 4.030 2.769 2.244 3.576 . 0 0 "[ . 1 . 2]" 1
186 1 17 ILE MD 1 22 ALA HA . . 3.400 2.445 1.937 2.853 . 0 0 "[ . 1 . 2]" 1
187 1 17 ILE MD 1 22 ALA MB . . 3.100 2.321 1.870 2.856 . 0 0 "[ . 1 . 2]" 1
188 1 17 ILE MD 1 36 LEU MD1 . . 3.440 2.719 2.222 3.343 . 0 0 "[ . 1 . 2]" 1
189 1 17 ILE MD 1 36 LEU MD2 . . 3.730 3.380 2.925 3.724 . 0 0 "[ . 1 . 2]" 1
190 1 17 ILE MD 1 38 ARG HB2 . . 4.300 3.244 2.713 3.864 . 0 0 "[ . 1 . 2]" 1
191 1 17 ILE MD 1 38 ARG HB3 . . 3.560 2.476 2.026 3.122 . 0 0 "[ . 1 . 2]" 1
192 1 17 ILE MD 1 38 ARG QD . . 4.050 2.810 1.978 3.246 . 0 0 "[ . 1 . 2]" 1
193 1 17 ILE MD 1 38 ARG QG . . 4.280 3.859 3.349 4.280 0.000 14 0 "[ . 1 . 2]" 1
194 1 17 ILE HG12 1 18 THR H . . 4.960 4.855 4.484 4.960 0.000 17 0 "[ . 1 . 2]" 1
195 1 17 ILE HG12 1 38 ARG QD . . 4.620 3.364 2.186 4.268 . 0 0 "[ . 1 . 2]" 1
196 1 17 ILE HG13 1 18 THR H . . 4.520 3.827 3.382 4.029 . 0 0 "[ . 1 . 2]" 1
197 1 17 ILE HG13 1 22 ALA MB . . 3.610 3.212 2.435 3.548 . 0 0 "[ . 1 . 2]" 1
198 1 17 ILE HG13 1 38 ARG HB2 . . 4.120 2.999 2.493 3.542 . 0 0 "[ . 1 . 2]" 1
199 1 17 ILE HG13 1 38 ARG QD . . 4.330 2.723 1.992 3.263 . 0 0 "[ . 1 . 2]" 1
200 1 17 ILE MG 1 18 THR H . . 4.120 3.763 3.556 3.923 . 0 0 "[ . 1 . 2]" 1
201 1 17 ILE MG 1 21 LYS QD . . 4.750 3.994 1.978 4.673 . 0 0 "[ . 1 . 2]" 1
202 1 17 ILE MG 1 21 LYS QE . . 4.220 3.880 3.200 4.210 . 0 0 "[ . 1 . 2]" 1
203 1 17 ILE MG 1 21 LYS HG2 . . 4.330 2.710 1.980 3.220 . 0 0 "[ . 1 . 2]" 1
204 1 17 ILE MG 1 21 LYS HG3 . . 4.330 3.809 3.059 4.211 . 0 0 "[ . 1 . 2]" 1
205 1 18 THR H 1 18 THR MG . . 3.150 2.019 1.805 2.253 . 0 0 "[ . 1 . 2]" 1
206 1 18 THR H 1 21 LYS QB . . 4.390 2.890 2.267 3.298 . 0 0 "[ . 1 . 2]" 1
207 1 18 THR HA 1 19 ARG H . . 3.320 2.335 2.227 2.526 . 0 0 "[ . 1 . 2]" 1
208 1 18 THR MG 1 19 ARG H . . 3.890 3.673 3.277 3.867 . 0 0 "[ . 1 . 2]" 1
209 1 18 THR MG 1 20 SER QB . . 4.580 2.640 1.995 3.708 . 0 0 "[ . 1 . 2]" 1
210 1 18 THR MG 1 21 LYS H . . 3.940 2.059 1.722 2.622 . 0 0 "[ . 1 . 2]" 1
211 1 18 THR MG 1 21 LYS HA . . 4.250 3.765 3.570 3.993 . 0 0 "[ . 1 . 2]" 1
212 1 18 THR MG 1 21 LYS HB2 . . 3.960 2.127 1.958 2.442 . 0 0 "[ . 1 . 2]" 1
213 1 18 THR MG 1 21 LYS HB3 . . 3.960 2.477 2.012 3.195 . 0 0 "[ . 1 . 2]" 1
214 1 18 THR MG 1 21 LYS QD . . 4.120 3.653 3.233 4.063 . 0 0 "[ . 1 . 2]" 1
215 1 19 ARG H 1 19 ARG QB . . 3.300 2.186 2.113 2.255 . 0 0 "[ . 1 . 2]" 1
216 1 19 ARG H 1 19 ARG QD . . 4.690 4.387 3.711 4.677 . 0 0 "[ . 1 . 2]" 1
217 1 19 ARG H 1 19 ARG QG . . 4.730 3.904 3.768 4.022 . 0 0 "[ . 1 . 2]" 1
218 1 19 ARG HA 1 19 ARG QD . . 4.140 3.766 2.125 4.101 . 0 0 "[ . 1 . 2]" 1
219 1 19 ARG HA 1 19 ARG HG2 . . 3.590 3.037 2.286 3.648 0.058 8 0 "[ . 1 . 2]" 1
220 1 19 ARG HA 1 19 ARG QG . . 3.110 2.362 2.259 2.554 . 0 0 "[ . 1 . 2]" 1
221 1 19 ARG HA 1 19 ARG HG3 . . 3.590 2.535 2.334 3.527 . 0 0 "[ . 1 . 2]" 1
222 1 19 ARG HA 1 22 ALA H . . 4.380 3.559 3.232 3.919 . 0 0 "[ . 1 . 2]" 1
223 1 19 ARG HA 1 22 ALA MB . . 3.820 2.807 2.515 3.111 . 0 0 "[ . 1 . 2]" 1
224 1 19 ARG QB 1 19 ARG QD . . 3.040 2.229 2.080 2.675 . 0 0 "[ . 1 . 2]" 1
225 1 19 ARG QB 1 20 SER H . . 4.400 2.242 1.986 2.971 . 0 0 "[ . 1 . 2]" 1
226 1 19 ARG QB 1 20 SER QB . . 4.650 3.998 3.685 4.398 . 0 0 "[ . 1 . 2]" 1
227 1 19 ARG QB 1 23 GLU QG . . 5.060 4.557 4.009 4.934 . 0 0 "[ . 1 . 2]" 1
228 1 19 ARG QG 1 23 GLU QG . . 4.100 2.970 2.314 3.506 . 0 0 "[ . 1 . 2]" 1
229 1 20 SER H 1 21 LYS H . . 4.420 2.957 2.422 3.253 . 0 0 "[ . 1 . 2]" 1
230 1 20 SER HA 1 23 GLU H . . 4.310 3.773 3.294 4.223 . 0 0 "[ . 1 . 2]" 1
231 1 20 SER HA 1 23 GLU QB . . 3.590 3.071 2.580 3.530 . 0 0 "[ . 1 . 2]" 1
232 1 20 SER HA 1 23 GLU QG . . 4.650 3.829 3.207 4.415 . 0 0 "[ . 1 . 2]" 1
233 1 20 SER HA 1 24 GLU H . . 4.790 3.772 3.444 4.006 . 0 0 "[ . 1 . 2]" 1
234 1 20 SER QB 1 21 LYS H . . 3.850 2.583 2.109 3.290 . 0 0 "[ . 1 . 2]" 1
235 1 20 SER QB 1 21 LYS QB . . 4.960 3.975 3.688 4.603 . 0 0 "[ . 1 . 2]" 1
236 1 21 LYS H 1 21 LYS HB2 . . 3.500 2.498 2.181 2.726 . 0 0 "[ . 1 . 2]" 1
237 1 21 LYS H 1 21 LYS HB3 . . 3.500 2.581 2.354 2.950 . 0 0 "[ . 1 . 2]" 1
238 1 21 LYS H 1 22 ALA H . . 3.630 2.857 2.527 3.246 . 0 0 "[ . 1 . 2]" 1
239 1 21 LYS HA 1 21 LYS QD . . 3.760 2.426 2.010 3.697 . 0 0 "[ . 1 . 2]" 1
240 1 21 LYS HA 1 21 LYS HE2 . . 4.880 4.512 3.557 4.880 . 0 0 "[ . 1 . 2]" 1
241 1 21 LYS HA 1 21 LYS QE . . 4.200 3.679 1.986 4.200 0.000 19 0 "[ . 1 . 2]" 1
242 1 21 LYS HA 1 21 LYS HE3 . . 4.880 4.035 1.996 4.883 0.003 11 0 "[ . 1 . 2]" 1
243 1 21 LYS HA 1 21 LYS HG2 . . 4.160 3.777 3.365 3.889 . 0 0 "[ . 1 . 2]" 1
244 1 21 LYS HA 1 21 LYS HG3 . . 4.160 2.869 2.328 3.223 . 0 0 "[ . 1 . 2]" 1
245 1 21 LYS HA 1 23 GLU H . . 5.020 4.469 3.760 5.006 . 0 0 "[ . 1 . 2]" 1
246 1 21 LYS HA 1 24 GLU H . . 4.060 3.715 3.381 3.993 . 0 0 "[ . 1 . 2]" 1
247 1 21 LYS HA 1 24 GLU QB . . 3.410 2.702 2.131 3.413 0.003 11 0 "[ . 1 . 2]" 1
248 1 21 LYS HA 1 24 GLU HG2 . . 4.730 3.451 2.007 4.604 . 0 0 "[ . 1 . 2]" 1
249 1 21 LYS HA 1 24 GLU QG . . 4.140 3.258 1.998 4.116 . 0 0 "[ . 1 . 2]" 1
250 1 21 LYS HA 1 24 GLU HG3 . . 4.730 4.348 3.641 4.712 . 0 0 "[ . 1 . 2]" 1
251 1 21 LYS HA 1 25 LEU H . . 4.630 3.829 3.293 4.284 . 0 0 "[ . 1 . 2]" 1
252 1 21 LYS HA 1 25 LEU MD1 . . 4.570 4.186 3.609 4.504 . 0 0 "[ . 1 . 2]" 1
253 1 21 LYS QB 1 21 LYS QE . . 3.960 3.418 2.338 3.792 . 0 0 "[ . 1 . 2]" 1
254 1 21 LYS QB 1 22 ALA H . . 3.480 2.325 1.944 2.721 . 0 0 "[ . 1 . 2]" 1
255 1 21 LYS HB2 1 22 ALA H . . 4.040 3.715 3.284 4.040 . 0 0 "[ . 1 . 2]" 1
256 1 21 LYS HB3 1 22 ALA H . . 4.040 2.351 1.958 2.766 . 0 0 "[ . 1 . 2]" 1
257 1 21 LYS QE 1 21 LYS QG . . 3.240 2.179 2.053 2.445 . 0 0 "[ . 1 . 2]" 1
258 1 21 LYS QE 1 25 LEU MD1 . . 5.050 2.722 1.975 4.470 . 0 0 "[ . 1 . 2]" 1
259 1 21 LYS QE 1 25 LEU MD2 . . 3.810 2.620 2.119 3.771 . 0 0 "[ . 1 . 2]" 1
260 1 21 LYS HE2 1 25 LEU MD2 . . 4.530 3.343 2.406 4.459 . 0 0 "[ . 1 . 2]" 1
261 1 21 LYS HE3 1 25 LEU MD2 . . 4.530 3.082 2.154 4.419 . 0 0 "[ . 1 . 2]" 1
262 1 21 LYS QG 1 22 ALA HA . . 4.570 3.596 3.236 4.241 . 0 0 "[ . 1 . 2]" 1
263 1 21 LYS QG 1 25 LEU MD1 . . 3.510 2.159 1.946 2.627 . 0 0 "[ . 1 . 2]" 1
264 1 21 LYS HG2 1 25 LEU MD1 . . 4.010 3.240 2.001 3.724 . 0 0 "[ . 1 . 2]" 1
265 1 21 LYS HG3 1 25 LEU MD1 . . 4.010 2.227 1.974 2.702 . 0 0 "[ . 1 . 2]" 1
266 1 22 ALA H 1 22 ALA MB . . 3.070 2.160 2.040 2.245 . 0 0 "[ . 1 . 2]" 1
267 1 22 ALA HA 1 25 LEU MD1 . . 3.730 2.564 2.021 3.085 . 0 0 "[ . 1 . 2]" 1
268 1 22 ALA HA 1 36 LEU MD1 . . 4.120 3.056 2.410 3.626 . 0 0 "[ . 1 . 2]" 1
269 1 22 ALA HA 1 36 LEU MD2 . . 3.620 2.548 2.034 3.032 . 0 0 "[ . 1 . 2]" 1
270 1 22 ALA MB 1 23 GLU H . . 3.410 2.485 2.180 2.974 . 0 0 "[ . 1 . 2]" 1
271 1 22 ALA MB 1 23 GLU QB . . 4.640 4.184 4.007 4.405 . 0 0 "[ . 1 . 2]" 1
272 1 22 ALA MB 1 23 GLU HG2 . . 4.260 3.924 3.495 4.253 . 0 0 "[ . 1 . 2]" 1
273 1 22 ALA MB 1 23 GLU QG . . 3.630 3.079 2.855 3.440 . 0 0 "[ . 1 . 2]" 1
274 1 22 ALA MB 1 23 GLU HG3 . . 4.260 3.236 2.930 3.636 . 0 0 "[ . 1 . 2]" 1
275 1 22 ALA MB 1 36 LEU MD1 . . 3.160 2.536 1.984 3.081 . 0 0 "[ . 1 . 2]" 1
276 1 22 ALA MB 1 36 LEU MD2 . . 3.570 3.043 2.473 3.564 . 0 0 "[ . 1 . 2]" 1
277 1 22 ALA MB 1 38 ARG HD2 . . 3.770 2.866 2.041 3.766 . 0 0 "[ . 1 . 2]" 1
278 1 22 ALA MB 1 38 ARG QD . . 3.190 2.248 1.790 2.780 . 0 0 "[ . 1 . 2]" 1
279 1 22 ALA MB 1 38 ARG HD3 . . 3.770 2.624 1.826 3.702 . 0 0 "[ . 1 . 2]" 1
280 1 23 GLU H 1 23 GLU QB . . 3.240 2.417 2.247 2.543 . 0 0 "[ . 1 . 2]" 1
281 1 23 GLU H 1 23 GLU HG2 . . 4.060 3.394 3.043 3.781 . 0 0 "[ . 1 . 2]" 1
282 1 23 GLU H 1 23 GLU QG . . 3.350 2.355 2.073 2.868 . 0 0 "[ . 1 . 2]" 1
283 1 23 GLU H 1 23 GLU HG3 . . 4.060 2.409 2.100 2.971 . 0 0 "[ . 1 . 2]" 1
284 1 23 GLU H 1 24 GLU H . . 3.570 2.714 2.469 2.917 . 0 0 "[ . 1 . 2]" 1
285 1 23 GLU H 1 57 VAL MG2 . . 5.180 4.787 4.170 5.166 . 0 0 "[ . 1 . 2]" 1
286 1 23 GLU HA 1 23 GLU HG2 . . 3.900 2.462 2.246 2.694 . 0 0 "[ . 1 . 2]" 1
287 1 23 GLU HA 1 23 GLU QG . . 3.240 2.376 2.206 2.491 . 0 0 "[ . 1 . 2]" 1
288 1 23 GLU HA 1 23 GLU HG3 . . 3.900 3.177 2.933 3.338 . 0 0 "[ . 1 . 2]" 1
289 1 23 GLU HA 1 25 LEU H . . 4.840 4.389 3.954 4.799 . 0 0 "[ . 1 . 2]" 1
290 1 23 GLU HA 1 26 LEU H . . 4.270 3.529 3.194 3.918 . 0 0 "[ . 1 . 2]" 1
291 1 23 GLU HA 1 26 LEU HB2 . . 4.180 2.910 2.481 3.185 . 0 0 "[ . 1 . 2]" 1
292 1 23 GLU HA 1 26 LEU HB3 . . 4.880 4.545 4.104 4.838 . 0 0 "[ . 1 . 2]" 1
293 1 23 GLU HA 1 26 LEU QD . . 3.700 2.708 2.017 3.400 . 0 0 "[ . 1 . 2]" 1
294 1 23 GLU HA 1 27 SER H . . 5.090 3.906 3.623 4.229 . 0 0 "[ . 1 . 2]" 1
295 1 23 GLU HA 1 57 VAL MG1 . . 4.000 3.432 2.821 3.966 . 0 0 "[ . 1 . 2]" 1
296 1 23 GLU HA 1 57 VAL MG2 . . 3.330 2.648 1.991 3.145 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLU QB 1 24 GLU H . . 3.750 2.271 2.064 2.626 . 0 0 "[ . 1 . 2]" 1
298 1 23 GLU QB 1 26 LEU QD . . 4.860 4.250 3.694 4.790 . 0 0 "[ . 1 . 2]" 1
299 1 23 GLU QB 1 57 VAL MG1 . . 5.500 4.346 3.723 4.758 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLU QB 1 57 VAL MG2 . . 3.860 3.133 2.421 3.556 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLU QG 1 24 GLU H . . 4.770 3.956 3.734 4.149 . 0 0 "[ . 1 . 2]" 1
302 1 23 GLU QG 1 26 LEU QD . . 4.920 3.666 3.180 4.287 . 0 0 "[ . 1 . 2]" 1
303 1 23 GLU QG 1 57 VAL HB . . 4.690 3.407 2.633 3.963 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLU QG 1 57 VAL MG1 . . 3.340 2.740 2.042 3.249 . 0 0 "[ . 1 . 2]" 1
305 1 23 GLU QG 1 57 VAL MG2 . . 3.280 2.435 1.937 2.747 . 0 0 "[ . 1 . 2]" 1
306 1 24 GLU H 1 24 GLU HB2 . . 3.500 2.882 2.423 3.523 0.023 17 0 "[ . 1 . 2]" 1
307 1 24 GLU H 1 24 GLU QB . . 2.970 2.235 2.167 2.282 . 0 0 "[ . 1 . 2]" 1
308 1 24 GLU H 1 24 GLU HB3 . . 3.500 2.425 2.189 2.689 . 0 0 "[ . 1 . 2]" 1
309 1 24 GLU H 1 24 GLU QG . . 4.310 3.619 2.784 4.076 . 0 0 "[ . 1 . 2]" 1
310 1 24 GLU H 1 25 LEU H . . 3.740 3.003 2.821 3.205 . 0 0 "[ . 1 . 2]" 1
311 1 24 GLU H 1 25 LEU HB2 . . 5.500 5.054 4.887 5.312 . 0 0 "[ . 1 . 2]" 1
312 1 24 GLU H 1 25 LEU HG . . 5.500 4.948 4.362 5.422 . 0 0 "[ . 1 . 2]" 1
313 1 24 GLU HA 1 24 GLU QG . . 3.590 3.010 2.590 3.298 . 0 0 "[ . 1 . 2]" 1
314 1 24 GLU QB 1 25 LEU H . . 3.460 2.720 2.195 3.470 0.010 11 0 "[ . 1 . 2]" 1
315 1 24 GLU HB2 1 25 LEU H . . 4.200 3.876 3.696 4.105 . 0 0 "[ . 1 . 2]" 1
316 1 24 GLU HB3 1 25 LEU H . . 4.200 2.832 2.211 3.743 . 0 0 "[ . 1 . 2]" 1
317 1 24 GLU QG 1 25 LEU MD2 . . 4.870 3.619 2.074 4.158 . 0 0 "[ . 1 . 2]" 1
318 1 24 GLU QG 1 25 LEU HG . . 4.440 3.416 2.348 4.296 . 0 0 "[ . 1 . 2]" 1
319 1 24 GLU QG 1 28 ARG QD . . 4.110 2.960 2.071 3.687 . 0 0 "[ . 1 . 2]" 1
320 1 24 GLU QG 1 28 ARG QG . . 5.180 3.437 2.378 4.548 . 0 0 "[ . 1 . 2]" 1
321 1 24 GLU HG2 1 25 LEU H . . 4.510 3.367 2.217 4.482 . 0 0 "[ . 1 . 2]" 1
322 1 24 GLU HG3 1 25 LEU H . . 4.510 3.339 2.461 4.470 . 0 0 "[ . 1 . 2]" 1
323 1 25 LEU H 1 25 LEU HB2 . . 3.540 2.445 2.275 2.715 . 0 0 "[ . 1 . 2]" 1
324 1 25 LEU H 1 25 LEU HB3 . . 3.910 3.575 3.542 3.591 . 0 0 "[ . 1 . 2]" 1
325 1 25 LEU H 1 25 LEU MD1 . . 3.890 3.415 3.139 3.830 . 0 0 "[ . 1 . 2]" 1
326 1 25 LEU H 1 25 LEU MD2 . . 3.840 3.600 3.064 3.823 . 0 0 "[ . 1 . 2]" 1
327 1 25 LEU H 1 25 LEU HG . . 3.610 2.352 1.915 2.670 . 0 0 "[ . 1 . 2]" 1
328 1 25 LEU H 1 26 LEU H . . 3.670 2.877 2.611 3.161 . 0 0 "[ . 1 . 2]" 1
329 1 25 LEU H 1 36 LEU MD2 . . 4.610 4.420 4.190 4.599 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU HA 1 25 LEU MD1 . . 3.990 3.882 3.761 3.945 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU HA 1 25 LEU MD2 . . 2.960 2.244 1.982 2.512 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU HA 1 25 LEU HG . . 4.080 2.883 2.728 3.285 . 0 0 "[ . 1 . 2]" 1
333 1 25 LEU HA 1 28 ARG H . . 4.520 4.065 3.621 4.467 . 0 0 "[ . 1 . 2]" 1
334 1 25 LEU HA 1 28 ARG QB . . 4.210 3.322 2.571 4.210 0.000 18 0 "[ . 1 . 2]" 1
335 1 25 LEU HA 1 28 ARG QD . . 3.950 2.805 1.979 3.734 . 0 0 "[ . 1 . 2]" 1
336 1 25 LEU HA 1 28 ARG QG . . 4.220 3.327 2.116 4.174 . 0 0 "[ . 1 . 2]" 1
337 1 25 LEU HB2 1 25 LEU MD1 . . 3.280 2.216 1.985 2.489 . 0 0 "[ . 1 . 2]" 1
338 1 25 LEU HB2 1 26 LEU H . . 3.620 2.406 2.019 2.800 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU HB2 1 36 LEU MD2 . . 4.150 2.693 2.389 2.943 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU HB3 1 25 LEU MD1 . . 3.600 2.484 2.213 2.668 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU HB3 1 26 LEU H . . 4.190 3.320 2.848 3.729 . 0 0 "[ . 1 . 2]" 1
342 1 25 LEU HB3 1 36 LEU MD2 . . 4.080 3.179 2.392 3.650 . 0 0 "[ . 1 . 2]" 1
343 1 25 LEU MD1 1 26 LEU H . . 4.710 4.206 3.668 4.664 . 0 0 "[ . 1 . 2]" 1
344 1 25 LEU MD1 1 36 LEU MD2 . . 3.260 2.282 1.925 2.758 . 0 0 "[ . 1 . 2]" 1
345 1 25 LEU MD1 1 111 GLU H . . 4.900 4.526 3.999 4.899 . 0 0 "[ . 1 . 2]" 1
346 1 25 LEU MD2 1 28 ARG QD . . 3.920 3.341 2.414 3.889 . 0 0 "[ . 1 . 2]" 1
347 1 25 LEU MD2 1 36 LEU MD2 . . 4.440 4.051 3.300 4.403 . 0 0 "[ . 1 . 2]" 1
348 1 25 LEU MD2 1 110 LEU HA . . 4.880 4.078 3.373 4.650 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU MD2 1 111 GLU H . . 5.440 3.904 3.190 4.449 . 0 0 "[ . 1 . 2]" 1
350 1 25 LEU MD2 1 111 GLU HA . . 4.750 4.162 3.222 4.750 0.000 11 0 "[ . 1 . 2]" 1
351 1 25 LEU MD2 1 111 GLU QB . . 3.810 2.550 1.826 3.455 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU MD2 1 111 GLU HG2 . . 4.070 3.229 2.058 4.065 . 0 0 "[ . 1 . 2]" 1
353 1 25 LEU MD2 1 111 GLU HG3 . . 4.070 2.975 1.815 4.086 0.016 16 0 "[ . 1 . 2]" 1
354 1 26 LEU H 1 26 LEU HB2 . . 3.590 2.432 2.167 2.644 . 0 0 "[ . 1 . 2]" 1
355 1 26 LEU H 1 26 LEU HB3 . . 3.900 3.575 3.479 3.610 . 0 0 "[ . 1 . 2]" 1
356 1 26 LEU H 1 26 LEU MD1 . . 4.160 3.319 1.889 3.747 . 0 0 "[ . 1 . 2]" 1
357 1 26 LEU H 1 26 LEU MD2 . . 4.160 3.575 2.819 4.080 . 0 0 "[ . 1 . 2]" 1
358 1 26 LEU H 1 26 LEU HG . . 4.080 2.576 2.050 4.003 . 0 0 "[ . 1 . 2]" 1
359 1 26 LEU H 1 27 SER H . . 3.930 2.844 2.426 3.235 . 0 0 "[ . 1 . 2]" 1
360 1 26 LEU H 1 36 LEU MD2 . . 4.660 3.453 3.009 3.821 . 0 0 "[ . 1 . 2]" 1
361 1 26 LEU H 1 57 VAL MG2 . . 5.500 4.753 4.097 5.240 . 0 0 "[ . 1 . 2]" 1
362 1 26 LEU HA 1 26 LEU MD1 . . 3.910 3.698 2.586 3.917 0.007 13 0 "[ . 1 . 2]" 1
363 1 26 LEU HA 1 26 LEU QD . . 2.990 2.219 1.977 2.713 . 0 0 "[ . 1 . 2]" 1
364 1 26 LEU HA 1 26 LEU MD2 . . 3.910 2.397 1.982 3.789 . 0 0 "[ . 1 . 2]" 1
365 1 26 LEU HA 1 26 LEU HG . . 4.200 2.894 2.368 3.254 . 0 0 "[ . 1 . 2]" 1
366 1 26 LEU HA 1 29 THR H . . 4.400 3.806 3.385 4.247 . 0 0 "[ . 1 . 2]" 1
367 1 26 LEU HA 1 29 THR HB . . 3.970 3.290 2.651 3.883 . 0 0 "[ . 1 . 2]" 1
368 1 26 LEU HA 1 30 GLY H . . 5.500 4.270 3.774 4.648 . 0 0 "[ . 1 . 2]" 1
369 1 26 LEU HA 1 36 LEU MD2 . . 4.700 4.096 3.581 4.465 . 0 0 "[ . 1 . 2]" 1
370 1 26 LEU HA 1 52 LEU HB2 . . 4.960 4.074 3.546 4.502 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU HA 1 108 VAL QG . . 3.640 3.002 2.710 3.479 . 0 0 "[ . 1 . 2]" 1
372 1 26 LEU HB2 1 26 LEU MD1 . . 3.540 2.243 1.988 2.431 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU HB2 1 26 LEU MD2 . . 3.540 3.072 2.410 3.194 . 0 0 "[ . 1 . 2]" 1
374 1 26 LEU HB2 1 27 SER H . . 3.750 2.344 2.038 2.662 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU HB2 1 52 LEU HB2 . . 4.640 3.712 3.239 4.334 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU HB2 1 52 LEU MD1 . . 4.010 3.082 2.699 3.464 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU HB2 1 52 LEU MD2 . . 4.480 3.754 3.177 4.168 . 0 0 "[ . 1 . 2]" 1
378 1 26 LEU HB3 1 26 LEU MD1 . . 3.530 2.553 2.186 3.191 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU HB3 1 26 LEU MD2 . . 3.530 2.254 2.095 2.423 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU HB3 1 27 SER H . . 4.010 3.230 2.759 3.628 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU HB3 1 52 LEU HB2 . . 4.390 2.232 2.004 2.852 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU HB3 1 52 LEU HB3 . . 4.560 3.552 2.857 4.240 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU HB3 1 52 LEU MD2 . . 4.030 2.471 2.032 2.832 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU HB3 1 52 LEU HG . . 4.400 4.297 4.060 4.401 0.001 9 0 "[ . 1 . 2]" 1
385 1 26 LEU HB3 1 57 VAL MG2 . . 3.780 3.405 2.775 3.764 . 0 0 "[ . 1 . 2]" 1
386 1 26 LEU QD 1 27 SER H . . 4.360 3.849 3.621 4.078 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU QD 1 34 SER HA . . 4.790 4.232 3.840 4.784 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU QD 1 34 SER QB . . 3.270 2.261 1.826 3.077 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU QD 1 35 PHE H . . 4.380 3.534 3.217 4.231 . 0 0 "[ . 1 . 2]" 1
390 1 26 LEU QD 1 35 PHE HA . . 3.300 2.800 2.481 3.195 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU QD 1 36 LEU MD2 . . 3.920 2.144 1.723 2.664 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU QD 1 50 CYS HA . . 4.680 4.064 3.828 4.410 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU QD 1 50 CYS HB2 . . 3.370 2.836 2.347 3.239 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU QD 1 50 CYS HB3 . . 3.340 2.233 1.923 2.525 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU QD 1 51 VAL H . . 4.700 3.362 2.776 4.028 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU QD 1 51 VAL HA . . 3.710 3.015 2.573 3.483 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU QD 1 52 LEU H . . 3.430 2.583 1.958 3.040 . 0 0 "[ . 1 . 2]" 1
398 1 26 LEU QD 1 52 LEU HB2 . . 4.100 2.053 1.838 2.450 . 0 0 "[ . 1 . 2]" 1
399 1 26 LEU QD 1 52 LEU HB3 . . 3.960 2.941 2.427 3.365 . 0 0 "[ . 1 . 2]" 1
400 1 26 LEU QD 1 57 VAL MG2 . . 3.210 1.967 1.787 2.143 . 0 0 "[ . 1 . 2]" 1
401 1 26 LEU QD 1 108 VAL QG . . 3.010 2.261 1.859 3.006 . 0 0 "[ . 1 . 2]" 1
402 1 26 LEU MD1 1 27 SER H . . 4.970 4.153 3.817 4.514 . 0 0 "[ . 1 . 2]" 1
403 1 26 LEU MD1 1 35 PHE HA . . 4.380 3.882 3.370 4.310 . 0 0 "[ . 1 . 2]" 1
404 1 26 LEU MD1 1 50 CYS HB2 . . 4.380 2.933 2.374 3.429 . 0 0 "[ . 1 . 2]" 1
405 1 26 LEU MD1 1 50 CYS HB3 . . 4.210 2.361 1.933 3.303 . 0 0 "[ . 1 . 2]" 1
406 1 26 LEU MD1 1 51 VAL HA . . 4.480 3.756 3.319 4.320 . 0 0 "[ . 1 . 2]" 1
407 1 26 LEU MD2 1 27 SER H . . 4.970 4.559 4.206 4.836 . 0 0 "[ . 1 . 2]" 1
408 1 26 LEU MD2 1 35 PHE HA . . 4.380 2.901 2.504 3.412 . 0 0 "[ . 1 . 2]" 1
409 1 26 LEU MD2 1 50 CYS HB2 . . 4.380 3.855 2.792 4.368 . 0 0 "[ . 1 . 2]" 1
410 1 26 LEU MD2 1 50 CYS HB3 . . 4.210 3.654 2.370 4.209 . 0 0 "[ . 1 . 2]" 1
411 1 26 LEU MD2 1 51 VAL HA . . 4.480 3.257 2.592 3.923 . 0 0 "[ . 1 . 2]" 1
412 1 26 LEU HG 1 27 SER H . . 5.020 4.414 4.121 5.002 . 0 0 "[ . 1 . 2]" 1
413 1 26 LEU HG 1 36 LEU MD2 . . 3.690 2.459 1.951 3.684 . 0 0 "[ . 1 . 2]" 1
414 1 26 LEU HG 1 57 VAL MG2 . . 4.350 4.155 3.797 4.359 0.009 11 0 "[ . 1 . 2]" 1
415 1 26 LEU HG 1 108 VAL QG . . 4.390 3.570 3.230 3.986 . 0 0 "[ . 1 . 2]" 1
416 1 27 SER H 1 27 SER HB2 . . 3.930 2.586 2.248 3.615 . 0 0 "[ . 1 . 2]" 1
417 1 27 SER H 1 27 SER QB . . 3.100 2.318 2.183 2.575 . 0 0 "[ . 1 . 2]" 1
418 1 27 SER H 1 27 SER HB3 . . 3.930 2.948 2.460 3.596 . 0 0 "[ . 1 . 2]" 1
419 1 27 SER H 1 28 ARG H . . 3.550 3.018 2.877 3.182 . 0 0 "[ . 1 . 2]" 1
420 1 27 SER H 1 52 LEU MD1 . . 4.630 3.772 3.072 4.402 . 0 0 "[ . 1 . 2]" 1
421 1 27 SER H 1 57 VAL MG2 . . 4.550 4.270 3.673 4.547 . 0 0 "[ . 1 . 2]" 1
422 1 27 SER HA 1 30 GLY H . . 4.570 3.729 3.391 3.982 . 0 0 "[ . 1 . 2]" 1
423 1 27 SER HA 1 52 LEU MD1 . . 3.580 3.253 2.846 3.577 . 0 0 "[ . 1 . 2]" 1
424 1 27 SER HA 1 52 LEU MD2 . . 3.460 3.056 2.709 3.423 . 0 0 "[ . 1 . 2]" 1
425 1 27 SER QB 1 28 ARG H . . 3.550 2.402 2.069 3.357 . 0 0 "[ . 1 . 2]" 1
426 1 27 SER QB 1 52 LEU MD1 . . 5.190 4.247 3.647 4.861 . 0 0 "[ . 1 . 2]" 1
427 1 28 ARG H 1 28 ARG HB2 . . 3.650 2.776 2.256 3.583 . 0 0 "[ . 1 . 2]" 1
428 1 28 ARG H 1 28 ARG QB . . 2.950 2.368 2.166 2.709 . 0 0 "[ . 1 . 2]" 1
429 1 28 ARG H 1 28 ARG HB3 . . 3.650 3.201 2.187 3.614 . 0 0 "[ . 1 . 2]" 1
430 1 28 ARG H 1 28 ARG QD . . 4.640 3.851 3.509 4.315 . 0 0 "[ . 1 . 2]" 1
431 1 28 ARG H 1 28 ARG HG2 . . 4.090 3.149 1.933 3.964 . 0 0 "[ . 1 . 2]" 1
432 1 28 ARG H 1 28 ARG QG . . 3.430 2.439 1.917 2.978 . 0 0 "[ . 1 . 2]" 1
433 1 28 ARG H 1 28 ARG HG3 . . 4.090 2.897 2.108 4.058 . 0 0 "[ . 1 . 2]" 1
434 1 28 ARG H 1 29 THR H . . 3.660 3.047 2.781 3.304 . 0 0 "[ . 1 . 2]" 1
435 1 28 ARG H 1 52 LEU MD2 . . 5.500 5.253 4.938 5.501 0.001 11 0 "[ . 1 . 2]" 1
436 1 28 ARG HA 1 28 ARG QD . . 4.320 4.071 2.504 4.389 0.069 5 0 "[ . 1 . 2]" 1
437 1 28 ARG HA 1 28 ARG HG2 . . 3.820 2.874 2.178 3.831 0.011 5 0 "[ . 1 . 2]" 1
438 1 28 ARG HA 1 28 ARG HG3 . . 3.820 3.219 2.554 3.824 0.004 3 0 "[ . 1 . 2]" 1
439 1 28 ARG QB 1 28 ARG QD . . 3.220 2.209 2.061 2.618 . 0 0 "[ . 1 . 2]" 1
440 1 28 ARG QB 1 29 THR H . . 4.030 2.565 1.983 3.462 . 0 0 "[ . 1 . 2]" 1
441 1 28 ARG HB2 1 28 ARG QD . . 3.700 2.531 2.155 3.526 . 0 0 "[ . 1 . 2]" 1
442 1 28 ARG HB2 1 29 THR H . . 4.650 2.760 1.999 3.921 . 0 0 "[ . 1 . 2]" 1
443 1 28 ARG HB3 1 28 ARG QD . . 3.700 2.523 2.171 2.872 . 0 0 "[ . 1 . 2]" 1
444 1 28 ARG HB3 1 29 THR H . . 4.650 3.231 2.659 3.878 . 0 0 "[ . 1 . 2]" 1
445 1 28 ARG QG 1 29 THR H . . 5.200 3.432 1.910 4.212 . 0 0 "[ . 1 . 2]" 1
446 1 29 THR H 1 29 THR HB . . 4.060 2.704 2.548 2.910 . 0 0 "[ . 1 . 2]" 1
447 1 29 THR H 1 29 THR MG . . 3.850 3.755 3.697 3.773 . 0 0 "[ . 1 . 2]" 1
448 1 29 THR HA 1 29 THR MG . . 3.250 2.328 2.120 2.433 . 0 0 "[ . 1 . 2]" 1
449 1 29 THR HB 1 30 GLY H . . 4.060 2.271 2.104 2.495 . 0 0 "[ . 1 . 2]" 1
450 1 29 THR HB 1 31 LYS H . . 4.470 3.280 2.588 4.092 . 0 0 "[ . 1 . 2]" 1
451 1 29 THR HB 1 31 LYS HB2 . . 4.790 3.839 3.563 4.461 . 0 0 "[ . 1 . 2]" 1
452 1 29 THR HB 1 31 LYS QG . . 4.790 4.368 3.846 4.627 . 0 0 "[ . 1 . 2]" 1
453 1 29 THR MG 1 30 GLY H . . 3.510 3.349 3.060 3.490 . 0 0 "[ . 1 . 2]" 1
454 1 29 THR MG 1 31 LYS H . . 3.770 2.924 2.211 3.740 . 0 0 "[ . 1 . 2]" 1
455 1 29 THR MG 1 31 LYS QE . . 4.430 3.184 1.909 4.307 . 0 0 "[ . 1 . 2]" 1
456 1 29 THR MG 1 34 SER HA . . 4.870 4.465 4.119 4.773 . 0 0 "[ . 1 . 2]" 1
457 1 29 THR MG 1 34 SER HG . . 4.400 2.478 1.989 3.001 . 0 0 "[ . 1 . 2]" 1
458 1 29 THR MG 1 106 TYR HB3 . . 5.500 4.985 4.305 5.496 . 0 0 "[ . 1 . 2]" 1
459 1 29 THR MG 1 106 TYR QD . . 4.130 3.899 3.577 4.131 0.001 7 0 "[ . 1 . 2]" 1
460 1 29 THR MG 1 106 TYR QE . . 5.280 5.029 4.709 5.266 . 0 0 "[ . 1 . 2]" 1
461 1 30 GLY H 1 31 LYS H . . 3.970 2.877 2.537 3.387 . 0 0 "[ . 1 . 2]" 1
462 1 30 GLY H 1 52 LEU MD2 . . 3.750 2.897 2.369 3.333 . 0 0 "[ . 1 . 2]" 1
463 1 30 GLY QA 1 52 LEU MD2 . . 3.440 2.634 1.850 3.182 . 0 0 "[ . 1 . 2]" 1
464 1 31 LYS H 1 31 LYS HB2 . . 3.860 2.562 2.326 2.785 . 0 0 "[ . 1 . 2]" 1
465 1 31 LYS H 1 31 LYS HB3 . . 3.960 3.680 3.565 3.822 . 0 0 "[ . 1 . 2]" 1
466 1 31 LYS H 1 31 LYS QD . . 5.110 4.519 3.348 5.001 . 0 0 "[ . 1 . 2]" 1
467 1 31 LYS H 1 31 LYS QG . . 3.520 3.227 2.030 3.461 . 0 0 "[ . 1 . 2]" 1
468 1 31 LYS H 1 34 SER HG . . 3.940 3.393 2.432 3.917 . 0 0 "[ . 1 . 2]" 1
469 1 31 LYS H 1 52 LEU MD2 . . 3.730 2.586 2.187 3.724 . 0 0 "[ . 1 . 2]" 1
470 1 31 LYS HA 1 31 LYS QD . . 4.370 3.905 3.661 4.079 . 0 0 "[ . 1 . 2]" 1
471 1 31 LYS HA 1 31 LYS QE . . 4.850 4.507 3.424 4.850 . 0 0 "[ . 1 . 2]" 1
472 1 31 LYS HA 1 31 LYS QG . . 3.630 2.274 2.159 2.451 . 0 0 "[ . 1 . 2]" 1
473 1 31 LYS HA 1 52 LEU MD2 . . 4.660 4.515 4.228 4.654 . 0 0 "[ . 1 . 2]" 1
474 1 31 LYS HA 1 106 TYR QE . . 5.500 4.713 4.048 5.496 . 0 0 "[ . 1 . 2]" 1
475 1 31 LYS HB2 1 31 LYS QE . . 4.770 3.788 2.354 4.256 . 0 0 "[ . 1 . 2]" 1
476 1 31 LYS HB2 1 34 SER HG . . 4.430 2.306 2.003 2.631 . 0 0 "[ . 1 . 2]" 1
477 1 31 LYS HB2 1 106 TYR QD . . 4.070 3.328 2.645 3.887 . 0 0 "[ . 1 . 2]" 1
478 1 31 LYS HB3 1 31 LYS HD2 . . 4.000 2.962 2.103 3.595 . 0 0 "[ . 1 . 2]" 1
479 1 31 LYS HB3 1 31 LYS HD3 . . 4.000 2.594 2.195 3.471 . 0 0 "[ . 1 . 2]" 1
480 1 31 LYS HB3 1 31 LYS QE . . 4.690 3.707 2.321 4.172 . 0 0 "[ . 1 . 2]" 1
481 1 31 LYS HB3 1 34 SER HG . . 4.660 3.403 2.626 4.050 . 0 0 "[ . 1 . 2]" 1
482 1 31 LYS HB3 1 106 TYR QD . . 3.980 2.884 2.027 3.549 . 0 0 "[ . 1 . 2]" 1
483 1 31 LYS HB3 1 106 TYR QE . . 3.990 2.623 2.062 3.219 . 0 0 "[ . 1 . 2]" 1
484 1 31 LYS QD 1 106 TYR HB2 . . 4.580 3.754 3.143 4.122 . 0 0 "[ . 1 . 2]" 1
485 1 31 LYS QD 1 106 TYR QE . . 3.960 2.502 1.981 3.033 . 0 0 "[ . 1 . 2]" 1
486 1 31 LYS HD2 1 106 TYR HB2 . . 5.460 4.233 3.656 5.426 . 0 0 "[ . 1 . 2]" 1
487 1 31 LYS HD2 1 106 TYR QE . . 4.690 3.710 2.169 4.566 . 0 0 "[ . 1 . 2]" 1
488 1 31 LYS HD3 1 106 TYR HB2 . . 5.460 4.458 3.426 5.453 . 0 0 "[ . 1 . 2]" 1
489 1 31 LYS HD3 1 106 TYR QE . . 4.690 2.747 2.009 4.320 . 0 0 "[ . 1 . 2]" 1
490 1 31 LYS QE 1 31 LYS QG . . 3.300 2.207 2.083 2.405 . 0 0 "[ . 1 . 2]" 1
491 1 31 LYS QE 1 106 TYR HB3 . . 5.500 4.951 2.939 5.504 0.004 17 0 "[ . 1 . 2]" 1
492 1 31 LYS QE 1 106 TYR QD . . 4.340 3.875 2.437 4.329 . 0 0 "[ . 1 . 2]" 1
493 1 31 LYS QE 1 106 TYR QE . . 4.260 3.811 2.149 4.264 0.004 11 0 "[ . 1 . 2]" 1
494 1 31 LYS QG 1 34 SER HG . . 4.830 4.210 3.873 4.582 . 0 0 "[ . 1 . 2]" 1
495 1 31 LYS QG 1 106 TYR QE . . 4.200 3.744 3.105 4.165 . 0 0 "[ . 1 . 2]" 1
496 1 32 ASP QB 1 33 GLY H . . 4.070 3.868 3.504 4.056 . 0 0 "[ . 1 . 2]" 1
497 1 33 GLY H 1 34 SER H . . 3.610 1.855 1.798 1.990 . 0 0 "[ . 1 . 2]" 1
498 1 33 GLY H 1 102 THR MG . . 4.250 3.929 3.343 4.214 . 0 0 "[ . 1 . 2]" 1
499 1 33 GLY HA2 1 102 THR MG . . 3.560 2.241 2.013 2.578 . 0 0 "[ . 1 . 2]" 1
500 1 33 GLY HA2 1 105 GLN HE21 . . 4.670 3.596 2.923 4.351 . 0 0 "[ . 1 . 2]" 1
501 1 33 GLY HA2 1 105 GLN HE22 . . 4.860 4.336 3.516 4.861 0.001 11 0 "[ . 1 . 2]" 1
502 1 33 GLY HA3 1 102 THR MG . . 3.990 3.730 3.512 3.921 . 0 0 "[ . 1 . 2]" 1
503 1 33 GLY HA3 1 105 GLN H . . 4.570 3.593 3.067 4.158 . 0 0 "[ . 1 . 2]" 1
504 1 33 GLY HA3 1 105 GLN HB2 . . 4.580 2.359 2.000 2.851 . 0 0 "[ . 1 . 2]" 1
505 1 33 GLY HA3 1 105 GLN HB3 . . 4.410 3.811 3.296 4.411 0.001 6 0 "[ . 1 . 2]" 1
506 1 33 GLY HA3 1 105 GLN HE21 . . 4.660 2.981 1.945 3.971 . 0 0 "[ . 1 . 2]" 1
507 1 33 GLY HA3 1 106 TYR QE . . 5.500 4.117 3.526 5.440 . 0 0 "[ . 1 . 2]" 1
508 1 34 SER H 1 34 SER HB2 . . 4.080 2.371 2.237 2.598 . 0 0 "[ . 1 . 2]" 1
509 1 34 SER H 1 34 SER QB . . 3.440 2.340 2.213 2.546 . 0 0 "[ . 1 . 2]" 1
510 1 34 SER H 1 34 SER HB3 . . 4.080 3.594 3.528 3.669 . 0 0 "[ . 1 . 2]" 1
511 1 34 SER H 1 34 SER HG . . 3.640 2.910 2.249 3.534 . 0 0 "[ . 1 . 2]" 1
512 1 34 SER H 1 52 LEU H . . 4.480 3.764 3.129 4.415 . 0 0 "[ . 1 . 2]" 1
513 1 34 SER H 1 52 LEU HB2 . . 5.150 4.581 3.831 5.083 . 0 0 "[ . 1 . 2]" 1
514 1 34 SER H 1 52 LEU HB3 . . 4.220 3.020 2.472 3.651 . 0 0 "[ . 1 . 2]" 1
515 1 34 SER H 1 52 LEU MD2 . . 4.620 3.828 3.261 4.368 . 0 0 "[ . 1 . 2]" 1
516 1 34 SER H 1 102 THR MG . . 4.830 4.106 3.729 4.718 . 0 0 "[ . 1 . 2]" 1
517 1 34 SER H 1 106 TYR QD . . 4.780 4.562 3.850 4.783 0.003 1 0 "[ . 1 . 2]" 1
518 1 34 SER HA 1 35 PHE H . . 3.280 2.283 2.170 2.390 . 0 0 "[ . 1 . 2]" 1
519 1 34 SER HA 1 35 PHE HB3 . . 4.650 4.220 4.117 4.383 . 0 0 "[ . 1 . 2]" 1
520 1 34 SER HA 1 35 PHE HD1 . . 4.450 3.302 2.758 3.773 . 0 0 "[ . 1 . 2]" 1
521 1 34 SER HA 1 106 TYR H . . 3.910 3.356 2.943 3.889 . 0 0 "[ . 1 . 2]" 1
522 1 34 SER HA 1 106 TYR HB2 . . 4.210 3.586 2.839 4.185 . 0 0 "[ . 1 . 2]" 1
523 1 34 SER HA 1 106 TYR QD . . 4.230 3.863 3.471 4.225 . 0 0 "[ . 1 . 2]" 1
524 1 34 SER HA 1 108 VAL QG . . 4.080 2.921 2.625 3.466 . 0 0 "[ . 1 . 2]" 1
525 1 34 SER QB 1 35 PHE H . . 4.040 2.732 2.450 3.068 . 0 0 "[ . 1 . 2]" 1
526 1 34 SER QB 1 52 LEU H . . 4.120 3.313 2.826 3.603 . 0 0 "[ . 1 . 2]" 1
527 1 34 SER QB 1 52 LEU HB2 . . 4.430 3.078 2.306 3.564 . 0 0 "[ . 1 . 2]" 1
528 1 34 SER QB 1 52 LEU HB3 . . 3.800 2.237 1.980 2.711 . 0 0 "[ . 1 . 2]" 1
529 1 34 SER QB 1 52 LEU MD2 . . 3.700 2.639 2.175 3.182 . 0 0 "[ . 1 . 2]" 1
530 1 34 SER QB 1 108 VAL QG . . 3.410 2.027 1.832 2.403 . 0 0 "[ . 1 . 2]" 1
531 1 34 SER HB2 1 52 LEU H . . 4.740 3.487 2.868 3.840 . 0 0 "[ . 1 . 2]" 1
532 1 34 SER HB2 1 52 LEU HB3 . . 4.380 2.256 2.004 2.760 . 0 0 "[ . 1 . 2]" 1
533 1 34 SER HB3 1 52 LEU H . . 4.740 4.204 3.793 4.616 . 0 0 "[ . 1 . 2]" 1
534 1 34 SER HB3 1 52 LEU HB3 . . 4.380 3.729 3.073 4.027 . 0 0 "[ . 1 . 2]" 1
535 1 34 SER HG 1 52 LEU MD2 . . 4.620 3.523 2.542 4.496 . 0 0 "[ . 1 . 2]" 1
536 1 34 SER HG 1 106 TYR QD . . 4.800 3.549 2.555 4.779 . 0 0 "[ . 1 . 2]" 1
537 1 35 PHE H 1 35 PHE HB3 . . 4.090 3.270 3.131 3.411 . 0 0 "[ . 1 . 2]" 1
538 1 35 PHE H 1 35 PHE HD1 . . 3.640 2.756 2.332 2.982 . 0 0 "[ . 1 . 2]" 1
539 1 35 PHE H 1 35 PHE HE1 . . 5.050 4.610 4.216 4.782 . 0 0 "[ . 1 . 2]" 1
540 1 35 PHE H 1 106 TYR H . . 4.940 4.789 4.558 4.941 0.001 5 0 "[ . 1 . 2]" 1
541 1 35 PHE H 1 107 PRO HA . . 4.070 3.629 3.067 4.027 . 0 0 "[ . 1 . 2]" 1
542 1 35 PHE H 1 108 VAL H . . 4.130 2.614 2.269 2.906 . 0 0 "[ . 1 . 2]" 1
543 1 35 PHE H 1 108 VAL QG . . 3.630 2.155 1.890 2.740 . 0 0 "[ . 1 . 2]" 1
544 1 35 PHE HA 1 35 PHE HD1 . . 4.600 4.178 3.926 4.320 . 0 0 "[ . 1 . 2]" 1
545 1 35 PHE HA 1 35 PHE HD2 . . 4.650 4.156 3.993 4.429 . 0 0 "[ . 1 . 2]" 1
546 1 35 PHE HA 1 36 LEU H . . 3.270 2.361 2.232 2.522 . 0 0 "[ . 1 . 2]" 1
547 1 35 PHE HA 1 36 LEU HG . . 4.710 3.774 3.425 4.106 . 0 0 "[ . 1 . 2]" 1
548 1 35 PHE HA 1 49 LEU MD1 . . 4.580 4.041 3.753 4.346 . 0 0 "[ . 1 . 2]" 1
549 1 35 PHE HA 1 51 VAL HA . . 3.580 2.302 2.136 2.525 . 0 0 "[ . 1 . 2]" 1
550 1 35 PHE HA 1 51 VAL MG1 . . 4.510 3.825 3.530 4.192 . 0 0 "[ . 1 . 2]" 1
551 1 35 PHE HA 1 51 VAL MG2 . . 4.120 3.168 2.902 3.511 . 0 0 "[ . 1 . 2]" 1
552 1 35 PHE HA 1 104 LEU MD2 . . 4.640 4.368 4.065 4.617 . 0 0 "[ . 1 . 2]" 1
553 1 35 PHE HA 1 108 VAL QG . . 4.860 3.652 3.214 4.199 . 0 0 "[ . 1 . 2]" 1
554 1 35 PHE HB2 1 36 LEU H . . 3.720 2.650 2.244 2.953 . 0 0 "[ . 1 . 2]" 1
555 1 35 PHE HB2 1 49 LEU MD1 . . 3.760 2.544 2.070 2.790 . 0 0 "[ . 1 . 2]" 1
556 1 35 PHE HB2 1 51 VAL HA . . 4.350 3.292 2.890 3.617 . 0 0 "[ . 1 . 2]" 1
557 1 35 PHE HB2 1 51 VAL MG2 . . 3.830 2.233 1.999 2.585 . 0 0 "[ . 1 . 2]" 1
558 1 35 PHE HB2 1 104 LEU MD2 . . 3.710 2.700 2.338 3.021 . 0 0 "[ . 1 . 2]" 1
559 1 35 PHE HB3 1 36 LEU H . . 4.150 3.976 3.697 4.146 . 0 0 "[ . 1 . 2]" 1
560 1 35 PHE HB3 1 49 LEU MD1 . . 4.270 3.976 3.572 4.222 . 0 0 "[ . 1 . 2]" 1
561 1 35 PHE HB3 1 51 VAL HA . . 4.340 3.283 2.651 3.586 . 0 0 "[ . 1 . 2]" 1
562 1 35 PHE HB3 1 51 VAL MG1 . . 4.460 3.058 2.667 3.565 . 0 0 "[ . 1 . 2]" 1
563 1 35 PHE HB3 1 51 VAL MG2 . . 3.630 2.635 2.319 3.117 . 0 0 "[ . 1 . 2]" 1
564 1 35 PHE HB3 1 104 LEU MD2 . . 3.540 2.339 2.010 2.670 . 0 0 "[ . 1 . 2]" 1
565 1 35 PHE HD1 1 104 LEU HA . . 4.440 3.208 2.960 3.507 . 0 0 "[ . 1 . 2]" 1
566 1 35 PHE HD1 1 104 LEU HB3 . . 4.290 3.015 2.606 3.824 . 0 0 "[ . 1 . 2]" 1
567 1 35 PHE HD1 1 104 LEU MD2 . . 4.080 2.908 2.314 3.420 . 0 0 "[ . 1 . 2]" 1
568 1 35 PHE HD1 1 105 GLN H . . 4.220 3.234 2.911 3.764 . 0 0 "[ . 1 . 2]" 1
569 1 35 PHE HD1 1 106 TYR H . . 3.860 3.627 3.425 3.798 . 0 0 "[ . 1 . 2]" 1
570 1 35 PHE HD1 1 107 PRO HA . . 4.390 3.232 2.780 3.583 . 0 0 "[ . 1 . 2]" 1
571 1 35 PHE HD1 1 108 VAL QG . . 4.700 4.272 3.823 4.697 . 0 0 "[ . 1 . 2]" 1
572 1 35 PHE HD2 1 36 LEU H . . 4.550 3.206 2.543 3.672 . 0 0 "[ . 1 . 2]" 1
573 1 35 PHE HD2 1 37 VAL MG2 . . 4.530 3.427 3.160 3.740 . 0 0 "[ . 1 . 2]" 1
574 1 35 PHE HD2 1 49 LEU MD1 . . 3.690 2.043 1.813 2.289 . 0 0 "[ . 1 . 2]" 1
575 1 35 PHE HD2 1 90 ILE MD . . 4.320 3.509 3.079 3.966 . 0 0 "[ . 1 . 2]" 1
576 1 35 PHE HD2 1 90 ILE MG . . 4.270 3.716 3.228 4.193 . 0 0 "[ . 1 . 2]" 1
577 1 35 PHE HD2 1 104 LEU MD2 . . 4.600 2.959 2.538 3.716 . 0 0 "[ . 1 . 2]" 1
578 1 35 PHE HE1 1 104 LEU HA . . 4.760 4.121 3.581 4.755 . 0 0 "[ . 1 . 2]" 1
579 1 35 PHE HE1 1 104 LEU HB2 . . 4.660 3.956 3.563 4.306 . 0 0 "[ . 1 . 2]" 1
580 1 35 PHE HE1 1 104 LEU HB3 . . 4.080 2.543 2.266 2.924 . 0 0 "[ . 1 . 2]" 1
581 1 35 PHE HE1 1 104 LEU MD1 . . 4.870 3.584 3.128 4.221 . 0 0 "[ . 1 . 2]" 1
582 1 35 PHE HE1 1 104 LEU MD2 . . 4.600 3.894 3.433 4.464 . 0 0 "[ . 1 . 2]" 1
583 1 35 PHE HE1 1 105 GLN H . . 5.360 3.864 2.565 4.635 . 0 0 "[ . 1 . 2]" 1
584 1 35 PHE HE1 1 106 TYR H . . 4.400 3.997 3.179 4.397 . 0 0 "[ . 1 . 2]" 1
585 1 35 PHE HE1 1 106 TYR HA . . 4.760 4.106 3.617 4.561 . 0 0 "[ . 1 . 2]" 1
586 1 35 PHE HE1 1 107 PRO HA . . 4.550 2.541 2.178 2.780 . 0 0 "[ . 1 . 2]" 1
587 1 35 PHE HE1 1 107 PRO HD2 . . 4.590 4.280 4.071 4.506 . 0 0 "[ . 1 . 2]" 1
588 1 35 PHE HE1 1 107 PRO QD . . 3.740 2.854 2.591 3.216 . 0 0 "[ . 1 . 2]" 1
589 1 35 PHE HE1 1 107 PRO HD3 . . 4.590 2.900 2.618 3.295 . 0 0 "[ . 1 . 2]" 1
590 1 35 PHE HE1 1 107 PRO QG . . 4.550 3.934 3.366 4.426 . 0 0 "[ . 1 . 2]" 1
591 1 35 PHE HE2 1 49 LEU MD1 . . 4.590 3.472 3.064 3.840 . 0 0 "[ . 1 . 2]" 1
592 1 35 PHE HE2 1 90 ILE MD . . 4.060 2.843 1.982 3.438 . 0 0 "[ . 1 . 2]" 1
593 1 35 PHE HE2 1 90 ILE MG . . 3.780 2.113 1.894 2.621 . 0 0 "[ . 1 . 2]" 1
594 1 35 PHE HZ 1 90 ILE MG . . 3.630 2.748 2.182 3.538 . 0 0 "[ . 1 . 2]" 1
595 1 35 PHE HZ 1 94 LYS HE2 . . 4.880 3.640 2.804 4.837 . 0 0 "[ . 1 . 2]" 1
596 1 35 PHE HZ 1 94 LYS QE . . 4.280 3.340 2.772 4.258 . 0 0 "[ . 1 . 2]" 1
597 1 35 PHE HZ 1 94 LYS HE3 . . 4.880 4.244 2.841 4.861 . 0 0 "[ . 1 . 2]" 1
598 1 35 PHE HZ 1 104 LEU HB2 . . 5.500 4.495 3.902 4.847 . 0 0 "[ . 1 . 2]" 1
599 1 35 PHE HZ 1 107 PRO HB2 . . 4.460 3.892 3.493 4.322 . 0 0 "[ . 1 . 2]" 1
600 1 35 PHE HZ 1 107 PRO QB . . 3.870 2.290 1.987 2.691 . 0 0 "[ . 1 . 2]" 1
601 1 35 PHE HZ 1 107 PRO HB3 . . 4.460 2.307 1.995 2.719 . 0 0 "[ . 1 . 2]" 1
602 1 35 PHE HZ 1 107 PRO QG . . 4.400 3.962 3.390 4.403 0.003 12 0 "[ . 1 . 2]" 1
603 1 36 LEU H 1 36 LEU MD1 . . 4.370 3.500 3.157 3.771 . 0 0 "[ . 1 . 2]" 1
604 1 36 LEU H 1 36 LEU HG . . 3.850 2.614 2.356 2.926 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU H 1 37 VAL H . . 4.970 4.368 4.311 4.404 . 0 0 "[ . 1 . 2]" 1
606 1 36 LEU H 1 37 VAL MG2 . . 4.680 4.115 3.880 4.366 . 0 0 "[ . 1 . 2]" 1
607 1 36 LEU H 1 49 LEU MD1 . . 4.190 2.712 2.473 3.132 . 0 0 "[ . 1 . 2]" 1
608 1 36 LEU H 1 50 CYS H . . 4.300 3.191 2.852 3.442 . 0 0 "[ . 1 . 2]" 1
609 1 36 LEU H 1 50 CYS HB2 . . 3.730 3.438 3.025 3.669 . 0 0 "[ . 1 . 2]" 1
610 1 36 LEU H 1 51 VAL MG2 . . 4.070 3.635 3.235 4.065 . 0 0 "[ . 1 . 2]" 1
611 1 36 LEU H 1 108 VAL QG . . 5.440 4.321 3.820 4.860 . 0 0 "[ . 1 . 2]" 1
612 1 36 LEU HB2 1 36 LEU MD2 . . 3.460 2.547 2.424 2.682 . 0 0 "[ . 1 . 2]" 1
613 1 36 LEU HB2 1 37 VAL H . . 4.290 2.323 2.067 2.660 . 0 0 "[ . 1 . 2]" 1
614 1 36 LEU HB2 1 37 VAL MG2 . . 4.570 4.463 4.287 4.569 . 0 0 "[ . 1 . 2]" 1
615 1 36 LEU HB3 1 37 VAL H . . 3.990 3.725 3.516 3.917 . 0 0 "[ . 1 . 2]" 1
616 1 36 LEU HB3 1 108 VAL QG . . 4.560 2.662 1.867 3.270 . 0 0 "[ . 1 . 2]" 1
617 1 36 LEU MD1 1 37 VAL H . . 4.280 2.658 2.085 3.140 . 0 0 "[ . 1 . 2]" 1
618 1 36 LEU MD1 1 37 VAL HA . . 4.050 2.936 2.615 3.215 . 0 0 "[ . 1 . 2]" 1
619 1 36 LEU MD1 1 37 VAL HB . . 4.920 4.522 3.992 4.859 . 0 0 "[ . 1 . 2]" 1
620 1 36 LEU MD1 1 38 ARG H . . 4.390 3.592 2.986 4.016 . 0 0 "[ . 1 . 2]" 1
621 1 36 LEU MD1 1 38 ARG HA . . 4.510 4.174 3.562 4.483 . 0 0 "[ . 1 . 2]" 1
622 1 36 LEU MD1 1 38 ARG HB2 . . 4.550 4.286 3.971 4.489 . 0 0 "[ . 1 . 2]" 1
623 1 36 LEU MD1 1 38 ARG HB3 . . 3.630 2.870 2.556 3.093 . 0 0 "[ . 1 . 2]" 1
624 1 36 LEU MD1 1 38 ARG QD . . 4.730 3.347 2.693 4.111 . 0 0 "[ . 1 . 2]" 1
625 1 36 LEU MD1 1 48 ALA MB . . 4.880 4.378 4.079 4.687 . 0 0 "[ . 1 . 2]" 1
626 1 36 LEU MD1 1 50 CYS H . . 3.760 2.743 2.205 3.226 . 0 0 "[ . 1 . 2]" 1
627 1 36 LEU MD1 1 50 CYS HB2 . . 3.710 2.328 1.994 2.751 . 0 0 "[ . 1 . 2]" 1
628 1 36 LEU MD1 1 50 CYS HB3 . . 4.160 3.726 3.343 4.128 . 0 0 "[ . 1 . 2]" 1
629 1 36 LEU MD2 1 37 VAL H . . 4.820 4.399 4.115 4.795 . 0 0 "[ . 1 . 2]" 1
630 1 36 LEU MD2 1 50 CYS HB2 . . 4.580 3.291 2.967 3.704 . 0 0 "[ . 1 . 2]" 1
631 1 36 LEU MD2 1 108 VAL HB . . 4.260 3.344 2.681 4.152 . 0 0 "[ . 1 . 2]" 1
632 1 36 LEU MD2 1 108 VAL MG1 . . 3.730 2.821 2.262 3.709 . 0 0 "[ . 1 . 2]" 1
633 1 36 LEU MD2 1 108 VAL QG . . 3.220 2.456 2.084 2.984 . 0 0 "[ . 1 . 2]" 1
634 1 36 LEU MD2 1 108 VAL MG2 . . 3.730 2.996 2.106 3.656 . 0 0 "[ . 1 . 2]" 1
635 1 36 LEU HG 1 50 CYS HB2 . . 4.210 2.186 2.023 2.710 . 0 0 "[ . 1 . 2]" 1
636 1 36 LEU HG 1 50 CYS HB3 . . 4.420 3.567 3.300 3.957 . 0 0 "[ . 1 . 2]" 1
637 1 37 VAL H 1 37 VAL HB . . 3.870 2.748 2.653 2.828 . 0 0 "[ . 1 . 2]" 1
638 1 37 VAL H 1 37 VAL MG2 . . 3.920 2.720 2.345 2.872 . 0 0 "[ . 1 . 2]" 1
639 1 37 VAL HA 1 37 VAL MG1 . . 3.420 2.322 2.180 2.432 . 0 0 "[ . 1 . 2]" 1
640 1 37 VAL HA 1 37 VAL MG2 . . 3.700 2.456 2.357 2.555 . 0 0 "[ . 1 . 2]" 1
641 1 37 VAL HA 1 38 ARG H . . 3.260 2.228 2.141 2.327 . 0 0 "[ . 1 . 2]" 1
642 1 37 VAL HA 1 38 ARG QG . . 4.530 3.734 3.487 3.981 . 0 0 "[ . 1 . 2]" 1
643 1 37 VAL HA 1 48 ALA MB . . 4.640 4.375 4.104 4.632 . 0 0 "[ . 1 . 2]" 1
644 1 37 VAL HA 1 49 LEU HA . . 3.840 2.433 2.187 2.612 . 0 0 "[ . 1 . 2]" 1
645 1 37 VAL HA 1 49 LEU HB2 . . 4.930 4.085 3.724 4.419 . 0 0 "[ . 1 . 2]" 1
646 1 37 VAL HA 1 49 LEU MD1 . . 4.450 3.452 2.873 3.796 . 0 0 "[ . 1 . 2]" 1
647 1 37 VAL HA 1 50 CYS H . . 4.260 3.270 2.947 3.609 . 0 0 "[ . 1 . 2]" 1
648 1 37 VAL HB 1 38 ARG H . . 4.690 3.928 3.665 4.338 . 0 0 "[ . 1 . 2]" 1
649 1 37 VAL HB 1 49 LEU MD1 . . 5.500 4.589 4.236 5.017 . 0 0 "[ . 1 . 2]" 1
650 1 37 VAL MG1 1 38 ARG H . . 3.460 2.244 1.868 3.048 . 0 0 "[ . 1 . 2]" 1
651 1 37 VAL MG1 1 38 ARG HA . . 4.370 3.496 3.189 3.864 . 0 0 "[ . 1 . 2]" 1
652 1 37 VAL MG1 1 47 TYR HB3 . . 3.350 2.507 2.018 2.960 . 0 0 "[ . 1 . 2]" 1
653 1 37 VAL MG1 1 47 TYR QD . . 3.300 2.345 1.974 2.808 . 0 0 "[ . 1 . 2]" 1
654 1 37 VAL MG1 1 47 TYR QE . . 3.880 3.545 3.091 3.833 . 0 0 "[ . 1 . 2]" 1
655 1 37 VAL MG1 1 48 ALA H . . 4.040 2.709 2.284 3.038 . 0 0 "[ . 1 . 2]" 1
656 1 37 VAL MG1 1 49 LEU H . . 4.590 4.401 3.948 4.570 . 0 0 "[ . 1 . 2]" 1
657 1 37 VAL MG1 1 49 LEU HA . . 4.280 3.382 3.057 3.628 . 0 0 "[ . 1 . 2]" 1
658 1 37 VAL MG1 1 49 LEU HB3 . . 5.090 4.874 4.531 5.064 . 0 0 "[ . 1 . 2]" 1
659 1 37 VAL MG1 1 90 ILE MD . . 4.390 3.894 3.223 4.356 . 0 0 "[ . 1 . 2]" 1
660 1 37 VAL MG2 1 38 ARG H . . 4.220 3.968 3.766 4.195 . 0 0 "[ . 1 . 2]" 1
661 1 37 VAL MG2 1 49 LEU HA . . 3.730 2.876 2.474 3.225 . 0 0 "[ . 1 . 2]" 1
662 1 37 VAL MG2 1 49 LEU HB2 . . 4.490 2.795 2.333 3.031 . 0 0 "[ . 1 . 2]" 1
663 1 37 VAL MG2 1 49 LEU HB3 . . 4.500 4.317 3.867 4.500 . 0 0 "[ . 1 . 2]" 1
664 1 37 VAL MG2 1 49 LEU MD1 . . 2.990 2.096 1.837 2.525 . 0 0 "[ . 1 . 2]" 1
665 1 37 VAL MG2 1 49 LEU MD2 . . 4.460 3.839 3.621 4.207 . 0 0 "[ . 1 . 2]" 1
666 1 37 VAL MG2 1 50 CYS H . . 4.510 4.182 3.908 4.416 . 0 0 "[ . 1 . 2]" 1
667 1 37 VAL MG2 1 90 ILE MD . . 3.120 2.381 1.835 2.823 . 0 0 "[ . 1 . 2]" 1
668 1 37 VAL MG2 1 90 ILE HG13 . . 4.550 3.283 2.458 3.783 . 0 0 "[ . 1 . 2]" 1
669 1 37 VAL MG2 1 90 ILE MG . . 4.270 3.967 3.246 4.267 . 0 0 "[ . 1 . 2]" 1
670 1 38 ARG H 1 38 ARG QG . . 3.660 2.407 2.044 2.773 . 0 0 "[ . 1 . 2]" 1
671 1 38 ARG H 1 48 ALA H . . 3.930 2.715 2.376 3.364 . 0 0 "[ . 1 . 2]" 1
672 1 38 ARG H 1 48 ALA MB . . 4.010 3.164 2.914 3.338 . 0 0 "[ . 1 . 2]" 1
673 1 38 ARG HA 1 39 ALA H . . 3.360 2.359 2.148 2.647 . 0 0 "[ . 1 . 2]" 1
674 1 38 ARG HA 1 39 ALA MB . . 4.350 4.015 3.944 4.167 . 0 0 "[ . 1 . 2]" 1
675 1 38 ARG HA 1 48 ALA MB . . 4.910 4.813 4.639 4.905 . 0 0 "[ . 1 . 2]" 1
676 1 38 ARG HB2 1 39 ALA H . . 3.830 2.623 2.038 3.323 . 0 0 "[ . 1 . 2]" 1
677 1 38 ARG HB2 1 39 ALA MB . . 4.520 4.242 3.761 4.515 . 0 0 "[ . 1 . 2]" 1
678 1 38 ARG HB2 1 48 ALA MB . . 4.270 4.191 4.008 4.272 0.002 14 0 "[ . 1 . 2]" 1
679 1 38 ARG HB3 1 38 ARG HD2 . . 4.000 2.796 2.161 3.742 . 0 0 "[ . 1 . 2]" 1
680 1 38 ARG HB3 1 38 ARG HD3 . . 4.000 3.146 2.422 3.842 . 0 0 "[ . 1 . 2]" 1
681 1 38 ARG QD 1 48 ALA MB . . 3.750 3.125 2.627 3.738 . 0 0 "[ . 1 . 2]" 1
682 1 38 ARG HD2 1 48 ALA MB . . 4.290 3.919 2.916 4.266 . 0 0 "[ . 1 . 2]" 1
683 1 38 ARG HD3 1 48 ALA MB . . 4.290 3.380 2.677 4.182 . 0 0 "[ . 1 . 2]" 1
684 1 38 ARG QG 1 39 ALA H . . 4.480 3.653 3.003 4.202 . 0 0 "[ . 1 . 2]" 1
685 1 38 ARG QG 1 48 ALA H . . 4.410 3.420 3.062 3.884 . 0 0 "[ . 1 . 2]" 1
686 1 38 ARG QG 1 48 ALA MB . . 3.090 1.881 1.754 2.029 . 0 0 "[ . 1 . 2]" 1
687 1 39 ALA H 1 39 ALA MB . . 3.100 2.214 2.048 2.404 . 0 0 "[ . 1 . 2]" 1
688 1 39 ALA HA 1 40 SER H . . 3.250 2.204 2.142 2.620 . 0 0 "[ . 1 . 2]" 1
689 1 39 ALA HA 1 40 SER QB . . 4.590 4.127 3.970 4.460 . 0 0 "[ . 1 . 2]" 1
690 1 39 ALA HA 1 47 TYR HA . . 3.500 2.743 2.430 3.074 . 0 0 "[ . 1 . 2]" 1
691 1 39 ALA HA 1 47 TYR HB3 . . 4.780 4.464 4.107 4.761 . 0 0 "[ . 1 . 2]" 1
692 1 39 ALA HA 1 47 TYR QD . . 3.670 2.863 2.380 3.249 . 0 0 "[ . 1 . 2]" 1
693 1 39 ALA HA 1 47 TYR QE . . 4.180 3.632 2.942 4.127 . 0 0 "[ . 1 . 2]" 1
694 1 39 ALA HA 1 48 ALA H . . 4.550 4.020 3.840 4.333 . 0 0 "[ . 1 . 2]" 1
695 1 39 ALA MB 1 40 SER H . . 3.590 3.125 2.081 3.520 . 0 0 "[ . 1 . 2]" 1
696 1 39 ALA MB 1 47 TYR HA . . 4.320 4.241 3.966 4.322 0.002 17 0 "[ . 1 . 2]" 1
697 1 39 ALA MB 1 47 TYR QD . . 4.110 3.869 3.321 4.090 . 0 0 "[ . 1 . 2]" 1
698 1 39 ALA MB 1 47 TYR QE . . 3.910 3.406 2.763 3.887 . 0 0 "[ . 1 . 2]" 1
699 1 40 SER H 1 40 SER HB2 . . 3.710 2.750 2.191 3.708 . 0 0 "[ . 1 . 2]" 1
700 1 40 SER H 1 40 SER QB . . 3.250 2.303 2.150 2.838 . 0 0 "[ . 1 . 2]" 1
701 1 40 SER H 1 40 SER HB3 . . 3.710 2.661 2.190 3.511 . 0 0 "[ . 1 . 2]" 1
702 1 40 SER H 1 46 ALA MB . . 4.540 3.988 3.611 4.384 . 0 0 "[ . 1 . 2]" 1
703 1 40 SER H 1 47 TYR HA . . 3.570 2.426 1.902 3.396 . 0 0 "[ . 1 . 2]" 1
704 1 40 SER H 1 47 TYR QD . . 4.540 4.204 3.583 4.491 . 0 0 "[ . 1 . 2]" 1
705 1 40 SER HA 1 46 ALA MB . . 5.080 4.827 4.053 5.080 0.000 19 0 "[ . 1 . 2]" 1
706 1 40 SER HA 1 48 ALA MB . . 4.440 3.392 2.392 4.384 . 0 0 "[ . 1 . 2]" 1
707 1 40 SER QB 1 46 ALA MB . . 3.050 2.363 1.861 3.001 . 0 0 "[ . 1 . 2]" 1
708 1 40 SER QB 1 47 TYR HA . . 4.070 3.097 2.485 3.859 . 0 0 "[ . 1 . 2]" 1
709 1 40 SER QB 1 48 ALA MB . . 4.780 3.316 2.347 3.940 . 0 0 "[ . 1 . 2]" 1
710 1 40 SER HB2 1 46 ALA MB . . 3.580 2.905 2.031 3.468 . 0 0 "[ . 1 . 2]" 1
711 1 40 SER HB2 1 47 TYR HA . . 4.660 3.582 2.688 4.650 . 0 0 "[ . 1 . 2]" 1
712 1 40 SER HB3 1 46 ALA MB . . 3.580 2.571 2.001 3.325 . 0 0 "[ . 1 . 2]" 1
713 1 40 SER HB3 1 47 TYR HA . . 4.660 3.851 2.505 4.660 . 0 0 "[ . 1 . 2]" 1
714 1 41 GLU HA 1 41 GLU HG2 . . 4.000 3.203 2.282 3.768 . 0 0 "[ . 1 . 2]" 1
715 1 41 GLU HA 1 41 GLU HG3 . . 4.000 3.139 2.197 3.880 . 0 0 "[ . 1 . 2]" 1
716 1 42 SER QB 1 43 ILE MD . . 4.330 3.231 1.855 4.310 . 0 0 "[ . 1 . 2]" 1
717 1 42 SER QB 1 43 ILE HG12 . . 4.590 3.658 2.459 4.586 . 0 0 "[ . 1 . 2]" 1
718 1 42 SER QB 1 43 ILE QG . . 4.010 2.919 2.385 3.678 . 0 0 "[ . 1 . 2]" 1
719 1 42 SER QB 1 43 ILE HG13 . . 4.590 3.547 2.409 4.560 . 0 0 "[ . 1 . 2]" 1
720 1 43 ILE HA 1 43 ILE MD . . 3.930 3.020 1.985 3.940 0.010 18 0 "[ . 1 . 2]" 1
721 1 43 ILE HA 1 43 ILE HG12 . . 3.870 3.007 2.463 3.582 . 0 0 "[ . 1 . 2]" 1
722 1 43 ILE HA 1 43 ILE HG13 . . 3.870 3.089 2.220 3.810 . 0 0 "[ . 1 . 2]" 1
723 1 43 ILE HA 1 43 ILE MG . . 3.140 2.353 2.214 2.465 . 0 0 "[ . 1 . 2]" 1
724 1 43 ILE HB 1 46 ALA MB . . 3.350 2.279 1.787 3.345 . 0 0 "[ . 1 . 2]" 1
725 1 43 ILE MG 1 46 ALA H . . 4.060 2.759 1.832 3.954 . 0 0 "[ . 1 . 2]" 1
726 1 43 ILE MG 1 46 ALA MB . . 3.080 2.426 1.809 3.080 . 0 0 "[ . 1 . 2]" 1
727 1 43 ILE MG 1 63 LEU HA . . 5.410 4.740 3.501 5.202 . 0 0 "[ . 1 . 2]" 1
728 1 43 ILE MG 1 64 PRO HD3 . . 4.930 3.846 2.908 4.650 . 0 0 "[ . 1 . 2]" 1
729 1 43 ILE MG 1 64 PRO QG . . 4.490 3.588 2.071 4.313 . 0 0 "[ . 1 . 2]" 1
730 1 44 SER HA 1 46 ALA H . . 4.210 3.947 3.492 4.211 0.001 17 0 "[ . 1 . 2]" 1
731 1 44 SER QB 1 45 ARG H . . 4.170 2.684 2.019 3.492 . 0 0 "[ . 1 . 2]" 1
732 1 45 ARG H 1 45 ARG QG . . 4.590 3.052 1.978 4.333 . 0 0 "[ . 1 . 2]" 1
733 1 45 ARG H 1 46 ALA H . . 4.010 3.021 2.712 3.794 . 0 0 "[ . 1 . 2]" 1
734 1 45 ARG HA 1 45 ARG HD2 . . 4.670 3.580 2.021 4.687 0.017 14 0 "[ . 1 . 2]" 1
735 1 45 ARG HA 1 45 ARG HD3 . . 4.670 3.771 2.004 4.664 . 0 0 "[ . 1 . 2]" 1
736 1 45 ARG HA 1 45 ARG QG . . 3.160 2.422 2.179 2.819 . 0 0 "[ . 1 . 2]" 1
737 1 45 ARG QB 1 45 ARG QD . . 3.160 2.279 2.047 2.702 . 0 0 "[ . 1 . 2]" 1
738 1 45 ARG QG 1 46 ALA H . . 4.720 4.378 3.955 4.731 0.011 4 0 "[ . 1 . 2]" 1
739 1 46 ALA H 1 46 ALA MB . . 3.230 2.364 2.097 2.812 . 0 0 "[ . 1 . 2]" 1
740 1 46 ALA H 1 64 PRO QG . . 4.990 4.693 4.013 4.998 0.008 16 0 "[ . 1 . 2]" 1
741 1 46 ALA HA 1 47 TYR H . . 3.260 2.464 2.213 2.589 . 0 0 "[ . 1 . 2]" 1
742 1 46 ALA HA 1 47 TYR QD . . 4.400 3.621 3.035 3.887 . 0 0 "[ . 1 . 2]" 1
743 1 46 ALA HA 1 62 ILE MG . . 4.730 4.166 3.727 4.701 . 0 0 "[ . 1 . 2]" 1
744 1 46 ALA HA 1 63 LEU HA . . 4.040 3.212 2.479 3.589 . 0 0 "[ . 1 . 2]" 1
745 1 46 ALA HA 1 63 LEU QD . . 4.230 3.756 3.409 4.130 . 0 0 "[ . 1 . 2]" 1
746 1 46 ALA HA 1 64 PRO HD2 . . 4.310 4.166 3.858 4.315 0.005 10 0 "[ . 1 . 2]" 1
747 1 46 ALA HA 1 64 PRO HD3 . . 3.930 2.674 2.371 2.873 . 0 0 "[ . 1 . 2]" 1
748 1 46 ALA MB 1 47 TYR H . . 3.350 2.364 2.061 2.938 . 0 0 "[ . 1 . 2]" 1
749 1 46 ALA MB 1 47 TYR QD . . 4.770 4.595 4.194 4.746 . 0 0 "[ . 1 . 2]" 1
750 1 46 ALA MB 1 63 LEU HA . . 3.730 2.603 2.159 2.952 . 0 0 "[ . 1 . 2]" 1
751 1 46 ALA MB 1 63 LEU QB . . 4.460 4.116 3.693 4.455 . 0 0 "[ . 1 . 2]" 1
752 1 46 ALA MB 1 63 LEU MD1 . . 3.950 2.426 1.856 3.937 . 0 0 "[ . 1 . 2]" 1
753 1 46 ALA MB 1 63 LEU QD . . 3.020 2.235 1.840 2.729 . 0 0 "[ . 1 . 2]" 1
754 1 46 ALA MB 1 63 LEU MD2 . . 3.950 2.983 1.943 3.946 . 0 0 "[ . 1 . 2]" 1
755 1 46 ALA MB 1 64 PRO HD2 . . 4.160 3.347 2.904 3.617 . 0 0 "[ . 1 . 2]" 1
756 1 46 ALA MB 1 64 PRO HD3 . . 3.790 2.766 2.143 3.292 . 0 0 "[ . 1 . 2]" 1
757 1 47 TYR H 1 47 TYR HB2 . . 4.060 2.696 2.509 2.934 . 0 0 "[ . 1 . 2]" 1
758 1 47 TYR H 1 47 TYR QD . . 3.880 3.570 3.088 3.880 0.000 19 0 "[ . 1 . 2]" 1
759 1 47 TYR H 1 62 ILE H . . 4.310 2.806 2.250 3.386 . 0 0 "[ . 1 . 2]" 1
760 1 47 TYR H 1 62 ILE HB . . 3.940 2.734 2.255 3.251 . 0 0 "[ . 1 . 2]" 1
761 1 47 TYR H 1 62 ILE MD . . 4.590 3.808 3.421 4.440 . 0 0 "[ . 1 . 2]" 1
762 1 47 TYR H 1 62 ILE MG . . 4.320 3.776 3.279 4.289 . 0 0 "[ . 1 . 2]" 1
763 1 47 TYR HA 1 47 TYR QD . . 3.830 2.812 2.465 3.034 . 0 0 "[ . 1 . 2]" 1
764 1 47 TYR HA 1 47 TYR QE . . 4.770 4.481 4.396 4.594 . 0 0 "[ . 1 . 2]" 1
765 1 47 TYR HA 1 48 ALA H . . 3.430 2.575 2.486 2.650 . 0 0 "[ . 1 . 2]" 1
766 1 47 TYR HA 1 48 ALA MB . . 4.690 3.799 3.712 3.874 . 0 0 "[ . 1 . 2]" 1
767 1 47 TYR HA 1 62 ILE HB . . 4.770 4.471 4.307 4.716 . 0 0 "[ . 1 . 2]" 1
768 1 47 TYR HB2 1 48 ALA H . . 4.130 3.525 3.348 3.712 . 0 0 "[ . 1 . 2]" 1
769 1 47 TYR HB2 1 62 ILE HB . . 3.590 2.151 2.007 2.437 . 0 0 "[ . 1 . 2]" 1
770 1 47 TYR HB2 1 62 ILE MD . . 3.750 2.660 2.245 2.912 . 0 0 "[ . 1 . 2]" 1
771 1 47 TYR HB2 1 62 ILE MG . . 3.820 3.157 2.759 3.416 . 0 0 "[ . 1 . 2]" 1
772 1 47 TYR HB2 1 86 LEU MD1 . . 4.800 4.314 2.942 4.794 . 0 0 "[ . 1 . 2]" 1
773 1 47 TYR HB2 1 86 LEU MD2 . . 4.640 3.343 3.058 4.089 . 0 0 "[ . 1 . 2]" 1
774 1 47 TYR HB3 1 48 ALA H . . 3.760 2.080 1.941 2.272 . 0 0 "[ . 1 . 2]" 1
775 1 47 TYR HB3 1 48 ALA MB . . 5.090 4.313 4.240 4.409 . 0 0 "[ . 1 . 2]" 1
776 1 47 TYR HB3 1 62 ILE HB . . 3.770 3.412 3.092 3.682 . 0 0 "[ . 1 . 2]" 1
777 1 47 TYR HB3 1 62 ILE MD . . 3.920 2.623 2.105 2.974 . 0 0 "[ . 1 . 2]" 1
778 1 47 TYR HB3 1 62 ILE MG . . 4.790 4.448 4.048 4.703 . 0 0 "[ . 1 . 2]" 1
779 1 47 TYR HB3 1 86 LEU MD1 . . 4.590 4.168 3.039 4.589 . 0 0 "[ . 1 . 2]" 1
780 1 47 TYR HB3 1 86 LEU MD2 . . 4.720 3.858 3.396 4.568 . 0 0 "[ . 1 . 2]" 1
781 1 47 TYR QD 1 48 ALA H . . 4.340 3.015 2.763 3.346 . 0 0 "[ . 1 . 2]" 1
782 1 47 TYR QD 1 62 ILE HB . . 4.070 3.800 3.429 4.071 0.001 13 0 "[ . 1 . 2]" 1
783 1 47 TYR QD 1 62 ILE MD . . 4.300 4.146 3.837 4.300 0.000 17 0 "[ . 1 . 2]" 1
784 1 47 TYR QD 1 62 ILE MG . . 3.960 3.622 3.081 3.892 . 0 0 "[ . 1 . 2]" 1
785 1 47 TYR QD 1 70 PHE QE . . 4.210 2.546 2.009 3.586 . 0 0 "[ . 1 . 2]" 1
786 1 47 TYR QD 1 86 LEU MD2 . . 3.790 2.826 2.279 3.393 . 0 0 "[ . 1 . 2]" 1
787 1 47 TYR QE 1 70 PHE QE . . 3.720 2.568 2.011 3.513 . 0 0 "[ . 1 . 2]" 1
788 1 47 TYR QE 1 70 PHE HZ . . 4.080 2.892 2.230 3.990 . 0 0 "[ . 1 . 2]" 1
789 1 47 TYR QE 1 86 LEU MD2 . . 4.120 3.123 2.467 3.779 . 0 0 "[ . 1 . 2]" 1
790 1 48 ALA H 1 48 ALA MB . . 3.370 2.637 2.547 2.736 . 0 0 "[ . 1 . 2]" 1
791 1 48 ALA H 1 62 ILE MD . . 4.770 3.281 2.832 3.826 . 0 0 "[ . 1 . 2]" 1
792 1 48 ALA HA 1 49 LEU H . . 3.240 2.155 2.143 2.192 . 0 0 "[ . 1 . 2]" 1
793 1 48 ALA HA 1 59 THR MG . . 4.530 3.749 3.443 4.480 . 0 0 "[ . 1 . 2]" 1
794 1 48 ALA HA 1 60 TYR HB2 . . 5.330 4.870 4.305 5.334 0.004 14 0 "[ . 1 . 2]" 1
795 1 48 ALA HA 1 61 ARG HA . . 4.010 2.461 1.998 3.039 . 0 0 "[ . 1 . 2]" 1
796 1 48 ALA HA 1 62 ILE H . . 4.160 3.216 2.676 3.640 . 0 0 "[ . 1 . 2]" 1
797 1 48 ALA HA 1 62 ILE HB . . 5.060 4.599 3.963 5.063 0.003 10 0 "[ . 1 . 2]" 1
798 1 48 ALA HA 1 62 ILE MD . . 4.500 2.729 2.180 3.554 . 0 0 "[ . 1 . 2]" 1
799 1 48 ALA MB 1 49 LEU H . . 3.630 3.252 2.960 3.452 . 0 0 "[ . 1 . 2]" 1
800 1 48 ALA MB 1 59 THR HB . . 4.930 4.699 3.346 4.932 0.002 10 0 "[ . 1 . 2]" 1
801 1 48 ALA MB 1 60 TYR H . . 4.820 4.002 3.599 4.478 . 0 0 "[ . 1 . 2]" 1
802 1 48 ALA MB 1 61 ARG HA . . 4.190 3.288 2.816 3.868 . 0 0 "[ . 1 . 2]" 1
803 1 48 ALA MB 1 62 ILE H . . 4.630 4.246 3.734 4.591 . 0 0 "[ . 1 . 2]" 1
804 1 48 ALA MB 1 62 ILE MD . . 5.200 3.949 3.514 4.604 . 0 0 "[ . 1 . 2]" 1
805 1 49 LEU H 1 49 LEU HB3 . . 3.780 2.368 2.255 2.497 . 0 0 "[ . 1 . 2]" 1
806 1 49 LEU H 1 59 THR MG . . 4.290 3.876 3.343 4.288 . 0 0 "[ . 1 . 2]" 1
807 1 49 LEU H 1 60 TYR H . . 4.230 2.880 2.099 3.395 . 0 0 "[ . 1 . 2]" 1
808 1 49 LEU H 1 60 TYR HB2 . . 4.560 3.086 2.554 3.443 . 0 0 "[ . 1 . 2]" 1
809 1 49 LEU H 1 61 ARG HA . . 4.570 3.746 3.262 4.177 . 0 0 "[ . 1 . 2]" 1
810 1 49 LEU H 1 62 ILE MD . . 4.200 2.448 1.973 2.884 . 0 0 "[ . 1 . 2]" 1
811 1 49 LEU HA 1 49 LEU MD1 . . 3.420 2.392 2.074 2.666 . 0 0 "[ . 1 . 2]" 1
812 1 49 LEU HA 1 49 LEU MD2 . . 4.520 3.967 3.883 4.013 . 0 0 "[ . 1 . 2]" 1
813 1 49 LEU HA 1 50 CYS H . . 3.380 2.175 2.140 2.251 . 0 0 "[ . 1 . 2]" 1
814 1 49 LEU HB2 1 49 LEU MD1 . . 3.490 2.210 2.060 2.357 . 0 0 "[ . 1 . 2]" 1
815 1 49 LEU HB2 1 49 LEU MD2 . . 3.410 2.444 2.320 2.559 . 0 0 "[ . 1 . 2]" 1
816 1 49 LEU HB2 1 50 CYS H . . 4.770 4.333 4.185 4.475 . 0 0 "[ . 1 . 2]" 1
817 1 49 LEU HB2 1 60 TYR HB2 . . 4.350 3.966 3.684 4.221 . 0 0 "[ . 1 . 2]" 1
818 1 49 LEU HB2 1 60 TYR HB3 . . 5.130 4.977 4.535 5.128 . 0 0 "[ . 1 . 2]" 1
819 1 49 LEU HB2 1 62 ILE MD . . 4.090 2.419 2.024 2.753 . 0 0 "[ . 1 . 2]" 1
820 1 49 LEU HB3 1 49 LEU MD2 . . 3.440 2.244 2.112 2.381 . 0 0 "[ . 1 . 2]" 1
821 1 49 LEU HB3 1 51 VAL MG2 . . 5.110 4.481 4.223 4.751 . 0 0 "[ . 1 . 2]" 1
822 1 49 LEU HB3 1 60 TYR H . . 4.620 3.612 3.221 4.057 . 0 0 "[ . 1 . 2]" 1
823 1 49 LEU HB3 1 60 TYR HB2 . . 4.110 2.227 2.013 2.513 . 0 0 "[ . 1 . 2]" 1
824 1 49 LEU HB3 1 60 TYR HB3 . . 4.230 3.338 2.851 3.529 . 0 0 "[ . 1 . 2]" 1
825 1 49 LEU HB3 1 60 TYR QD . . 4.150 3.669 3.100 4.078 . 0 0 "[ . 1 . 2]" 1
826 1 49 LEU HB3 1 62 ILE MD . . 3.770 2.507 1.993 2.940 . 0 0 "[ . 1 . 2]" 1
827 1 49 LEU HB3 1 62 ILE HG12 . . 5.500 4.535 4.029 5.110 . 0 0 "[ . 1 . 2]" 1
828 1 49 LEU HB3 1 100 LEU MD2 . . 4.740 4.389 3.668 4.737 . 0 0 "[ . 1 . 2]" 1
829 1 49 LEU MD1 1 50 CYS H . . 3.610 3.068 2.570 3.384 . 0 0 "[ . 1 . 2]" 1
830 1 49 LEU MD1 1 51 VAL MG2 . . 3.420 2.850 2.526 3.168 . 0 0 "[ . 1 . 2]" 1
831 1 49 LEU MD1 1 60 TYR QD . . 4.720 4.550 4.208 4.722 0.002 10 0 "[ . 1 . 2]" 1
832 1 49 LEU MD1 1 90 ILE MD . . 3.310 2.477 1.963 2.789 . 0 0 "[ . 1 . 2]" 1
833 1 49 LEU MD1 1 90 ILE HG13 . . 5.120 4.498 3.955 4.975 . 0 0 "[ . 1 . 2]" 1
834 1 49 LEU MD1 1 90 ILE MG . . 4.050 3.643 3.298 4.049 . 0 0 "[ . 1 . 2]" 1
835 1 49 LEU MD1 1 100 LEU MD1 . . 3.780 3.519 3.170 3.781 0.001 20 0 "[ . 1 . 2]" 1
836 1 49 LEU MD1 1 100 LEU MD2 . . 5.500 4.604 3.964 5.147 . 0 0 "[ . 1 . 2]" 1
837 1 49 LEU MD1 1 104 LEU MD1 . . 3.590 3.223 2.729 3.577 . 0 0 "[ . 1 . 2]" 1
838 1 49 LEU MD1 1 104 LEU MD2 . . 3.370 2.944 2.459 3.311 . 0 0 "[ . 1 . 2]" 1
839 1 49 LEU MD2 1 51 VAL MG2 . . 3.480 2.979 2.674 3.222 . 0 0 "[ . 1 . 2]" 1
840 1 49 LEU MD2 1 60 TYR HB2 . . 4.000 3.019 2.522 3.383 . 0 0 "[ . 1 . 2]" 1
841 1 49 LEU MD2 1 60 TYR HB3 . . 4.170 3.720 3.370 4.076 . 0 0 "[ . 1 . 2]" 1
842 1 49 LEU MD2 1 60 TYR QD . . 3.880 3.081 2.537 3.749 . 0 0 "[ . 1 . 2]" 1
843 1 49 LEU MD2 1 100 LEU MD1 . . 3.120 1.974 1.822 2.328 . 0 0 "[ . 1 . 2]" 1
844 1 49 LEU MD2 1 100 LEU MD2 . . 3.920 2.437 1.919 2.998 . 0 0 "[ . 1 . 2]" 1
845 1 49 LEU MD2 1 104 LEU MD1 . . 3.680 3.478 3.189 3.686 0.006 11 0 "[ . 1 . 2]" 1
846 1 49 LEU MD2 1 104 LEU MD2 . . 3.430 3.165 2.872 3.398 . 0 0 "[ . 1 . 2]" 1
847 1 49 LEU HG 1 50 CYS H . . 4.490 3.721 3.176 4.113 . 0 0 "[ . 1 . 2]" 1
848 1 49 LEU HG 1 51 VAL MG2 . . 3.400 2.484 2.265 2.817 . 0 0 "[ . 1 . 2]" 1
849 1 49 LEU HG 1 60 TYR HB2 . . 4.750 3.368 2.989 3.776 . 0 0 "[ . 1 . 2]" 1
850 1 49 LEU HG 1 60 TYR QD . . 3.850 3.069 2.617 3.358 . 0 0 "[ . 1 . 2]" 1
851 1 49 LEU HG 1 100 LEU MD1 . . 4.650 3.526 3.089 4.113 . 0 0 "[ . 1 . 2]" 1
852 1 49 LEU HG 1 104 LEU MD2 . . 4.530 4.342 4.050 4.519 . 0 0 "[ . 1 . 2]" 1
853 1 50 CYS H 1 50 CYS HB2 . . 3.990 2.423 2.288 2.636 . 0 0 "[ . 1 . 2]" 1
854 1 50 CYS H 1 59 THR MG . . 5.220 4.475 3.865 4.796 . 0 0 "[ . 1 . 2]" 1
855 1 50 CYS HA 1 51 VAL H . . 3.180 2.259 2.155 2.379 . 0 0 "[ . 1 . 2]" 1
856 1 50 CYS HA 1 51 VAL HB . . 4.520 4.470 4.290 4.522 0.002 16 0 "[ . 1 . 2]" 1
857 1 50 CYS HA 1 51 VAL MG2 . . 4.270 3.573 3.286 4.028 . 0 0 "[ . 1 . 2]" 1
858 1 50 CYS HA 1 57 VAL MG1 . . 3.850 3.344 2.938 3.789 . 0 0 "[ . 1 . 2]" 1
859 1 50 CYS HA 1 59 THR HA . . 3.570 2.267 2.078 2.471 . 0 0 "[ . 1 . 2]" 1
860 1 50 CYS HA 1 59 THR MG . . 4.150 3.623 2.760 3.949 . 0 0 "[ . 1 . 2]" 1
861 1 50 CYS HA 1 60 TYR H . . 4.330 3.306 2.997 3.761 . 0 0 "[ . 1 . 2]" 1
862 1 50 CYS HB2 1 51 VAL H . . 4.920 3.971 3.509 4.327 . 0 0 "[ . 1 . 2]" 1
863 1 50 CYS HB3 1 51 VAL H . . 4.400 2.861 2.490 3.302 . 0 0 "[ . 1 . 2]" 1
864 1 50 CYS HB3 1 57 VAL MG1 . . 3.530 2.314 1.850 2.683 . 0 0 "[ . 1 . 2]" 1
865 1 51 VAL H 1 51 VAL HB . . 3.730 2.821 2.500 3.025 . 0 0 "[ . 1 . 2]" 1
866 1 51 VAL H 1 51 VAL MG2 . . 3.650 3.057 2.951 3.298 . 0 0 "[ . 1 . 2]" 1
867 1 51 VAL H 1 52 LEU H . . 5.430 4.190 3.886 4.432 . 0 0 "[ . 1 . 2]" 1
868 1 51 VAL H 1 57 VAL HA . . 4.680 3.776 3.258 4.151 . 0 0 "[ . 1 . 2]" 1
869 1 51 VAL H 1 57 VAL MG1 . . 3.930 2.856 2.370 3.286 . 0 0 "[ . 1 . 2]" 1
870 1 51 VAL H 1 57 VAL MG2 . . 5.370 4.752 3.840 5.235 . 0 0 "[ . 1 . 2]" 1
871 1 51 VAL H 1 58 TYR H . . 4.160 2.616 2.137 3.055 . 0 0 "[ . 1 . 2]" 1
872 1 51 VAL HA 1 51 VAL MG1 . . 3.390 2.414 2.302 2.511 . 0 0 "[ . 1 . 2]" 1
873 1 51 VAL HA 1 51 VAL MG2 . . 3.540 2.344 2.172 2.442 . 0 0 "[ . 1 . 2]" 1
874 1 51 VAL HA 1 52 LEU H . . 3.160 2.167 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
875 1 51 VAL HA 1 104 LEU MD2 . . 5.050 4.628 4.021 4.912 . 0 0 "[ . 1 . 2]" 1
876 1 51 VAL HB 1 52 LEU H . . 4.590 4.199 3.893 4.449 . 0 0 "[ . 1 . 2]" 1
877 1 51 VAL HB 1 58 TYR H . . 4.780 3.538 3.264 3.738 . 0 0 "[ . 1 . 2]" 1
878 1 51 VAL HB 1 58 TYR QB . . 3.920 2.320 1.985 2.888 . 0 0 "[ . 1 . 2]" 1
879 1 51 VAL HB 1 58 TYR QD . . 4.820 3.724 2.979 4.388 . 0 0 "[ . 1 . 2]" 1
880 1 51 VAL HB 1 60 TYR QD . . 4.750 3.944 3.276 4.291 . 0 0 "[ . 1 . 2]" 1
881 1 51 VAL HB 1 60 TYR QE . . 3.730 3.208 2.911 3.565 . 0 0 "[ . 1 . 2]" 1
882 1 51 VAL HB 1 101 VAL MG1 . . 4.070 2.673 1.980 3.180 . 0 0 "[ . 1 . 2]" 1
883 1 51 VAL MG1 1 52 LEU H . . 3.420 2.532 2.102 3.073 . 0 0 "[ . 1 . 2]" 1
884 1 51 VAL MG1 1 52 LEU HA . . 4.850 3.833 3.514 4.243 . 0 0 "[ . 1 . 2]" 1
885 1 51 VAL MG1 1 58 TYR H . . 4.520 4.202 3.906 4.457 . 0 0 "[ . 1 . 2]" 1
886 1 51 VAL MG1 1 58 TYR QB . . 4.380 3.478 3.012 3.722 . 0 0 "[ . 1 . 2]" 1
887 1 51 VAL MG1 1 58 TYR QD . . 4.410 3.702 2.579 4.271 . 0 0 "[ . 1 . 2]" 1
888 1 51 VAL MG1 1 60 TYR QE . . 4.230 4.008 3.670 4.225 . 0 0 "[ . 1 . 2]" 1
889 1 51 VAL MG1 1 101 VAL HB . . 5.440 4.400 3.906 4.880 . 0 0 "[ . 1 . 2]" 1
890 1 51 VAL MG1 1 101 VAL MG1 . . 3.280 1.990 1.680 2.272 . 0 0 "[ . 1 . 2]" 1
891 1 51 VAL MG1 1 101 VAL MG2 . . 4.130 3.702 3.201 4.130 . 0 0 "[ . 1 . 2]" 1
892 1 51 VAL MG1 1 102 THR H . . 4.290 3.012 2.181 3.469 . 0 0 "[ . 1 . 2]" 1
893 1 51 VAL MG1 1 104 LEU MD2 . . 4.270 3.265 2.895 3.736 . 0 0 "[ . 1 . 2]" 1
894 1 51 VAL MG2 1 52 LEU H . . 4.570 3.984 3.755 4.208 . 0 0 "[ . 1 . 2]" 1
895 1 51 VAL MG2 1 58 TYR QB . . 4.920 3.588 3.242 4.079 . 0 0 "[ . 1 . 2]" 1
896 1 51 VAL MG2 1 60 TYR QD . . 3.570 2.825 2.427 3.226 . 0 0 "[ . 1 . 2]" 1
897 1 51 VAL MG2 1 60 TYR QE . . 3.400 3.017 2.493 3.398 . 0 0 "[ . 1 . 2]" 1
898 1 51 VAL MG2 1 100 LEU MD1 . . 3.150 2.494 1.957 3.068 . 0 0 "[ . 1 . 2]" 1
899 1 51 VAL MG2 1 100 LEU MD2 . . 4.880 3.345 1.904 3.950 . 0 0 "[ . 1 . 2]" 1
900 1 51 VAL MG2 1 104 LEU MD1 . . 4.680 4.373 3.918 4.660 . 0 0 "[ . 1 . 2]" 1
901 1 51 VAL MG2 1 104 LEU MD2 . . 2.890 2.660 2.162 2.837 . 0 0 "[ . 1 . 2]" 1
902 1 52 LEU H 1 52 LEU HB2 . . 3.750 2.679 2.401 2.999 . 0 0 "[ . 1 . 2]" 1
903 1 52 LEU H 1 52 LEU HB3 . . 3.710 2.566 2.432 2.677 . 0 0 "[ . 1 . 2]" 1
904 1 52 LEU H 1 52 LEU MD1 . . 4.410 4.154 3.864 4.402 . 0 0 "[ . 1 . 2]" 1
905 1 52 LEU H 1 52 LEU MD2 . . 4.550 4.272 4.207 4.367 . 0 0 "[ . 1 . 2]" 1
906 1 52 LEU H 1 53 TYR H . . 5.500 4.459 4.283 4.616 . 0 0 "[ . 1 . 2]" 1
907 1 52 LEU H 1 108 VAL QG . . 5.440 4.893 4.388 5.344 . 0 0 "[ . 1 . 2]" 1
908 1 52 LEU HA 1 52 LEU MD1 . . 3.160 2.291 2.033 2.579 . 0 0 "[ . 1 . 2]" 1
909 1 52 LEU HA 1 52 LEU MD2 . . 4.240 3.899 3.829 3.954 . 0 0 "[ . 1 . 2]" 1
910 1 52 LEU HA 1 52 LEU HG . . 4.050 2.913 2.785 3.078 . 0 0 "[ . 1 . 2]" 1
911 1 52 LEU HA 1 53 TYR H . . 3.240 2.166 2.139 2.235 . 0 0 "[ . 1 . 2]" 1
912 1 52 LEU HA 1 53 TYR QB . . 4.930 4.053 3.965 4.117 . 0 0 "[ . 1 . 2]" 1
913 1 52 LEU HA 1 56 CYS QB . . 5.500 4.864 4.665 5.306 . 0 0 "[ . 1 . 2]" 1
914 1 52 LEU HA 1 57 VAL HA . . 3.940 2.765 2.348 3.197 . 0 0 "[ . 1 . 2]" 1
915 1 52 LEU HA 1 57 VAL MG2 . . 4.190 3.456 3.060 3.958 . 0 0 "[ . 1 . 2]" 1
916 1 52 LEU HA 1 58 TYR H . . 4.490 3.664 3.180 4.102 . 0 0 "[ . 1 . 2]" 1
917 1 52 LEU HA 1 58 TYR QD . . 4.690 3.710 3.358 4.124 . 0 0 "[ . 1 . 2]" 1
918 1 52 LEU HB2 1 52 LEU MD2 . . 3.450 2.523 2.262 2.649 . 0 0 "[ . 1 . 2]" 1
919 1 52 LEU HB2 1 57 VAL MG2 . . 4.140 3.630 3.141 3.965 . 0 0 "[ . 1 . 2]" 1
920 1 52 LEU HB3 1 52 LEU MD1 . . 3.660 3.161 3.124 3.186 . 0 0 "[ . 1 . 2]" 1
921 1 52 LEU HB3 1 52 LEU MD2 . . 3.370 2.164 2.044 2.356 . 0 0 "[ . 1 . 2]" 1
922 1 52 LEU MD1 1 53 TYR H . . 3.600 2.991 2.410 3.523 . 0 0 "[ . 1 . 2]" 1
923 1 52 LEU MD1 1 55 ASN H . . 4.040 3.742 3.385 4.037 . 0 0 "[ . 1 . 2]" 1
924 1 52 LEU MD1 1 55 ASN HA . . 3.500 2.916 2.671 3.282 . 0 0 "[ . 1 . 2]" 1
925 1 52 LEU MD1 1 56 CYS H . . 3.830 2.672 2.162 3.413 . 0 0 "[ . 1 . 2]" 1
926 1 52 LEU MD1 1 56 CYS HA . . 4.350 3.835 3.354 4.331 . 0 0 "[ . 1 . 2]" 1
927 1 52 LEU MD1 1 57 VAL H . . 4.560 4.037 3.571 4.444 . 0 0 "[ . 1 . 2]" 1
928 1 52 LEU MD1 1 57 VAL HA . . 3.770 3.157 2.606 3.592 . 0 0 "[ . 1 . 2]" 1
929 1 52 LEU MD2 1 53 TYR H . . 4.710 4.426 4.041 4.672 . 0 0 "[ . 1 . 2]" 1
930 1 52 LEU MD2 1 55 ASN H . . 4.540 4.336 3.836 4.539 . 0 0 "[ . 1 . 2]" 1
931 1 52 LEU MD2 1 55 ASN HA . . 4.310 4.092 3.751 4.301 . 0 0 "[ . 1 . 2]" 1
932 1 52 LEU MD2 1 56 CYS H . . 5.500 4.747 4.316 5.081 . 0 0 "[ . 1 . 2]" 1
933 1 52 LEU HG 1 53 TYR H . . 4.000 2.890 2.395 3.194 . 0 0 "[ . 1 . 2]" 1
934 1 52 LEU HG 1 55 ASN H . . 4.260 3.666 3.298 3.913 . 0 0 "[ . 1 . 2]" 1
935 1 52 LEU HG 1 55 ASN HA . . 4.260 3.967 3.556 4.245 . 0 0 "[ . 1 . 2]" 1
936 1 52 LEU HG 1 56 CYS H . . 4.380 3.608 3.002 3.922 . 0 0 "[ . 1 . 2]" 1
937 1 53 TYR H 1 53 TYR QB . . 3.740 2.741 2.467 2.955 . 0 0 "[ . 1 . 2]" 1
938 1 53 TYR H 1 53 TYR QD . . 4.820 4.424 4.231 4.562 . 0 0 "[ . 1 . 2]" 1
939 1 53 TYR H 1 54 ARG H . . 4.540 3.573 2.111 4.193 . 0 0 "[ . 1 . 2]" 1
940 1 53 TYR H 1 56 CYS H . . 3.650 2.655 2.124 3.253 . 0 0 "[ . 1 . 2]" 1
941 1 53 TYR H 1 56 CYS QB . . 4.830 3.734 3.358 4.220 . 0 0 "[ . 1 . 2]" 1
942 1 53 TYR H 1 57 VAL HA . . 4.580 4.033 3.664 4.546 . 0 0 "[ . 1 . 2]" 1
943 1 53 TYR H 1 57 VAL MG2 . . 5.500 4.693 4.334 5.358 . 0 0 "[ . 1 . 2]" 1
944 1 53 TYR H 1 58 TYR QD . . 3.940 3.509 2.991 3.788 . 0 0 "[ . 1 . 2]" 1
945 1 53 TYR H 1 58 TYR QE . . 4.080 3.347 2.618 3.914 . 0 0 "[ . 1 . 2]" 1
946 1 53 TYR QB 1 54 ARG H . . 4.040 3.247 1.942 3.866 . 0 0 "[ . 1 . 2]" 1
947 1 53 TYR QB 1 58 TYR QD . . 4.090 3.236 2.793 3.519 . 0 0 "[ . 1 . 2]" 1
948 1 53 TYR QB 1 58 TYR QE . . 3.260 2.337 1.972 2.681 . 0 0 "[ . 1 . 2]" 1
949 1 53 TYR QB 1 101 VAL HB . . 4.830 4.307 3.983 4.667 . 0 0 "[ . 1 . 2]" 1
950 1 53 TYR QB 1 101 VAL MG1 . . 3.330 2.504 1.924 2.986 . 0 0 "[ . 1 . 2]" 1
951 1 53 TYR QB 1 101 VAL MG2 . . 3.360 2.235 1.747 2.887 . 0 0 "[ . 1 . 2]" 1
952 1 53 TYR QB 1 102 THR HB . . 4.210 3.117 2.262 4.032 . 0 0 "[ . 1 . 2]" 1
953 1 53 TYR QB 1 102 THR MG . . 3.250 2.409 1.946 3.015 . 0 0 "[ . 1 . 2]" 1
954 1 53 TYR QD 1 54 ARG H . . 4.010 3.336 2.628 3.852 . 0 0 "[ . 1 . 2]" 1
955 1 53 TYR QD 1 54 ARG QB . . 4.750 2.981 2.440 4.106 . 0 0 "[ . 1 . 2]" 1
956 1 53 TYR QD 1 54 ARG QG . . 4.440 2.555 2.081 3.193 . 0 0 "[ . 1 . 2]" 1
957 1 53 TYR QD 1 58 TYR QE . . 3.660 3.198 2.241 3.633 . 0 0 "[ . 1 . 2]" 1
958 1 53 TYR QD 1 101 VAL MG2 . . 3.300 2.468 1.841 2.928 . 0 0 "[ . 1 . 2]" 1
959 1 53 TYR QD 1 102 THR HB . . 3.610 2.563 2.035 3.298 . 0 0 "[ . 1 . 2]" 1
960 1 53 TYR QD 1 102 THR MG . . 3.370 2.801 2.218 3.280 . 0 0 "[ . 1 . 2]" 1
961 1 53 TYR QE 1 54 ARG QD . . 3.360 3.234 2.924 3.367 0.007 11 0 "[ . 1 . 2]" 1
962 1 53 TYR QE 1 54 ARG HG2 . . 4.170 3.247 2.538 4.155 . 0 0 "[ . 1 . 2]" 1
963 1 53 TYR QE 1 54 ARG QG . . 3.510 2.432 1.949 3.282 . 0 0 "[ . 1 . 2]" 1
964 1 53 TYR QE 1 54 ARG HG3 . . 4.170 2.576 2.006 3.705 . 0 0 "[ . 1 . 2]" 1
965 1 53 TYR QE 1 101 VAL MG2 . . 4.340 3.356 2.684 3.913 . 0 0 "[ . 1 . 2]" 1
966 1 53 TYR QE 1 102 THR HB . . 4.110 3.408 2.274 4.031 . 0 0 "[ . 1 . 2]" 1
967 1 54 ARG H 1 54 ARG HG2 . . 4.200 2.932 2.407 4.155 . 0 0 "[ . 1 . 2]" 1
968 1 54 ARG H 1 54 ARG HG3 . . 4.200 3.827 3.177 4.200 . 0 0 "[ . 1 . 2]" 1
969 1 54 ARG H 1 55 ASN H . . 3.880 3.096 2.780 3.834 . 0 0 "[ . 1 . 2]" 1
970 1 54 ARG HA 1 54 ARG QD . . 3.790 3.131 2.139 3.794 0.004 19 0 "[ . 1 . 2]" 1
971 1 54 ARG HA 1 54 ARG HG2 . . 4.000 2.637 2.219 3.195 . 0 0 "[ . 1 . 2]" 1
972 1 54 ARG HA 1 54 ARG QG . . 3.340 2.574 2.175 3.026 . 0 0 "[ . 1 . 2]" 1
973 1 54 ARG HA 1 54 ARG HG3 . . 4.000 3.620 3.072 3.918 . 0 0 "[ . 1 . 2]" 1
974 1 54 ARG HA 1 55 ASN H . . 3.450 2.618 2.296 2.880 . 0 0 "[ . 1 . 2]" 1
975 1 54 ARG QB 1 55 ASN H . . 4.480 3.865 3.814 3.896 . 0 0 "[ . 1 . 2]" 1
976 1 54 ARG HB2 1 54 ARG QD . . 3.370 3.149 2.579 3.391 0.021 5 0 "[ . 1 . 2]" 1
977 1 54 ARG HB3 1 54 ARG QD . . 3.370 2.212 2.079 2.368 . 0 0 "[ . 1 . 2]" 1
978 1 55 ASN H 1 56 CYS H . . 3.700 2.793 2.610 3.018 . 0 0 "[ . 1 . 2]" 1
979 1 56 CYS H 1 56 CYS QB . . 3.210 2.684 2.523 2.795 . 0 0 "[ . 1 . 2]" 1
980 1 56 CYS H 1 58 TYR QE . . 4.430 4.072 3.638 4.390 . 0 0 "[ . 1 . 2]" 1
981 1 56 CYS HA 1 57 VAL H . . 3.030 2.227 2.138 2.363 . 0 0 "[ . 1 . 2]" 1
982 1 56 CYS HA 1 57 VAL MG2 . . 4.230 3.664 3.389 3.879 . 0 0 "[ . 1 . 2]" 1
983 1 56 CYS QB 1 57 VAL H . . 3.810 3.190 2.565 3.694 . 0 0 "[ . 1 . 2]" 1
984 1 56 CYS QB 1 57 VAL HA . . 4.580 4.376 4.102 4.574 . 0 0 "[ . 1 . 2]" 1
985 1 56 CYS QB 1 58 TYR QD . . 4.190 3.569 3.091 4.025 . 0 0 "[ . 1 . 2]" 1
986 1 56 CYS QB 1 58 TYR QE . . 3.240 2.337 1.916 3.059 . 0 0 "[ . 1 . 2]" 1
987 1 57 VAL H 1 57 VAL HB . . 3.290 2.510 2.424 2.637 . 0 0 "[ . 1 . 2]" 1
988 1 57 VAL H 1 57 VAL MG1 . . 4.030 3.784 3.722 3.853 . 0 0 "[ . 1 . 2]" 1
989 1 57 VAL H 1 57 VAL MG2 . . 3.350 2.665 2.307 3.059 . 0 0 "[ . 1 . 2]" 1
990 1 57 VAL HA 1 57 VAL MG1 . . 3.330 2.383 2.255 2.496 . 0 0 "[ . 1 . 2]" 1
991 1 57 VAL HA 1 57 VAL MG2 . . 3.300 2.302 2.132 2.429 . 0 0 "[ . 1 . 2]" 1
992 1 57 VAL HA 1 58 TYR H . . 3.230 2.165 2.140 2.231 . 0 0 "[ . 1 . 2]" 1
993 1 57 VAL HA 1 58 TYR QD . . 3.930 3.379 2.851 3.923 . 0 0 "[ . 1 . 2]" 1
994 1 57 VAL HA 1 58 TYR QE . . 5.380 4.913 4.340 5.306 . 0 0 "[ . 1 . 2]" 1
995 1 57 VAL MG1 1 58 TYR H . . 3.620 2.814 1.983 3.274 . 0 0 "[ . 1 . 2]" 1
996 1 57 VAL MG1 1 58 TYR HA . . 4.270 3.892 3.533 4.240 . 0 0 "[ . 1 . 2]" 1
997 1 57 VAL MG1 1 58 TYR QD . . 4.850 4.573 4.070 4.839 . 0 0 "[ . 1 . 2]" 1
998 1 57 VAL MG1 1 59 THR H . . 4.900 3.414 2.892 4.006 . 0 0 "[ . 1 . 2]" 1
999 1 57 VAL MG1 1 59 THR HA . . 4.360 3.718 3.458 3.972 . 0 0 "[ . 1 . 2]" 1
1000 1 57 VAL MG1 1 59 THR MG . . 4.340 3.880 2.250 4.329 . 0 0 "[ . 1 . 2]" 1
1001 1 57 VAL MG2 1 58 TYR H . . 4.180 4.064 3.881 4.194 0.014 11 0 "[ . 1 . 2]" 1
1002 1 58 TYR H 1 58 TYR HB2 . . 4.150 2.473 2.347 2.664 . 0 0 "[ . 1 . 2]" 1
1003 1 58 TYR H 1 58 TYR QB . . 3.540 2.434 2.317 2.613 . 0 0 "[ . 1 . 2]" 1
1004 1 58 TYR H 1 58 TYR HB3 . . 4.150 3.652 3.580 3.793 . 0 0 "[ . 1 . 2]" 1
1005 1 58 TYR H 1 58 TYR QD . . 3.580 2.268 1.910 2.611 . 0 0 "[ . 1 . 2]" 1
1006 1 58 TYR HA 1 58 TYR QD . . 4.000 3.098 2.845 3.190 . 0 0 "[ . 1 . 2]" 1
1007 1 58 TYR HA 1 58 TYR QE . . 5.500 4.694 4.618 4.815 . 0 0 "[ . 1 . 2]" 1
1008 1 58 TYR HA 1 59 THR H . . 3.020 2.214 2.150 2.312 . 0 0 "[ . 1 . 2]" 1
1009 1 58 TYR HA 1 59 THR HA . . 5.490 4.458 4.412 4.513 . 0 0 "[ . 1 . 2]" 1
1010 1 58 TYR QB 1 101 VAL MG1 . . 4.020 2.582 2.219 2.998 . 0 0 "[ . 1 . 2]" 1
1011 1 58 TYR QB 1 101 VAL MG2 . . 5.120 4.214 3.666 4.599 . 0 0 "[ . 1 . 2]" 1
1012 1 58 TYR HB2 1 60 TYR QE . . 3.820 3.084 2.313 3.674 . 0 0 "[ . 1 . 2]" 1
1013 1 58 TYR HB3 1 60 TYR QE . . 3.820 2.923 2.249 3.754 . 0 0 "[ . 1 . 2]" 1
1014 1 58 TYR QD 1 101 VAL H . . 4.950 4.829 4.631 4.954 0.004 16 0 "[ . 1 . 2]" 1
1015 1 58 TYR QD 1 101 VAL HB . . 4.830 3.408 2.916 3.687 . 0 0 "[ . 1 . 2]" 1
1016 1 58 TYR QD 1 101 VAL MG1 . . 3.740 2.808 2.042 3.336 . 0 0 "[ . 1 . 2]" 1
1017 1 58 TYR QD 1 101 VAL MG2 . . 3.970 3.506 2.550 3.968 . 0 0 "[ . 1 . 2]" 1
1018 1 58 TYR QE 1 101 VAL MG1 . . 3.990 3.561 3.028 3.989 . 0 0 "[ . 1 . 2]" 1
1019 1 58 TYR QE 1 101 VAL MG2 . . 3.890 2.836 2.138 3.263 . 0 0 "[ . 1 . 2]" 1
1020 1 59 THR H 1 59 THR HB . . 3.520 2.732 2.517 3.530 0.010 3 0 "[ . 1 . 2]" 1
1021 1 59 THR H 1 59 THR MG . . 4.280 3.696 2.906 3.815 . 0 0 "[ . 1 . 2]" 1
1022 1 59 THR HA 1 59 THR MG . . 3.190 2.275 2.093 2.437 . 0 0 "[ . 1 . 2]" 1
1023 1 59 THR HA 1 60 TYR H . . 3.180 2.165 2.141 2.261 . 0 0 "[ . 1 . 2]" 1
1024 1 59 THR HA 1 60 TYR HB2 . . 5.500 4.406 4.292 4.552 . 0 0 "[ . 1 . 2]" 1
1025 1 59 THR HA 1 60 TYR QD . . 4.470 4.272 3.904 4.473 0.003 14 0 "[ . 1 . 2]" 1
1026 1 59 THR HB 1 60 TYR H . . 4.520 4.025 2.867 4.319 . 0 0 "[ . 1 . 2]" 1
1027 1 59 THR MG 1 60 TYR H . . 3.580 2.767 2.290 3.408 . 0 0 "[ . 1 . 2]" 1
1028 1 59 THR MG 1 61 ARG H . . 5.480 4.143 3.093 5.351 . 0 0 "[ . 1 . 2]" 1
1029 1 60 TYR H 1 60 TYR HB2 . . 3.990 2.473 2.302 2.625 . 0 0 "[ . 1 . 2]" 1
1030 1 60 TYR H 1 60 TYR HB3 . . 4.180 3.668 3.568 3.755 . 0 0 "[ . 1 . 2]" 1
1031 1 60 TYR H 1 60 TYR QD . . 3.850 3.288 2.873 3.695 . 0 0 "[ . 1 . 2]" 1
1032 1 60 TYR HB2 1 61 ARG H . . 4.680 4.349 3.537 4.591 . 0 0 "[ . 1 . 2]" 1
1033 1 60 TYR HB2 1 72 VAL MG1 . . 3.870 3.221 2.726 3.698 . 0 0 "[ . 1 . 2]" 1
1034 1 60 TYR HB2 1 72 VAL MG2 . . 4.420 4.039 3.519 4.410 . 0 0 "[ . 1 . 2]" 1
1035 1 60 TYR HB2 1 100 LEU MD2 . . 4.790 3.717 2.964 4.494 . 0 0 "[ . 1 . 2]" 1
1036 1 60 TYR HB3 1 61 ARG H . . 4.260 3.564 2.126 4.148 . 0 0 "[ . 1 . 2]" 1
1037 1 60 TYR HB3 1 62 ILE MD . . 4.520 3.795 3.173 4.453 . 0 0 "[ . 1 . 2]" 1
1038 1 60 TYR HB3 1 72 VAL MG1 . . 3.520 2.058 1.869 2.435 . 0 0 "[ . 1 . 2]" 1
1039 1 60 TYR HB3 1 72 VAL MG2 . . 4.320 3.461 2.789 3.962 . 0 0 "[ . 1 . 2]" 1
1040 1 60 TYR HB3 1 100 LEU MD2 . . 4.860 3.796 3.314 4.576 . 0 0 "[ . 1 . 2]" 1
1041 1 60 TYR QD 1 61 ARG H . . 4.440 3.987 3.130 4.445 0.005 14 0 "[ . 1 . 2]" 1
1042 1 60 TYR QD 1 72 VAL MG1 . . 3.710 2.842 2.378 3.351 . 0 0 "[ . 1 . 2]" 1
1043 1 60 TYR QD 1 74 ALA HA . . 4.360 3.635 2.657 4.344 . 0 0 "[ . 1 . 2]" 1
1044 1 60 TYR QD 1 74 ALA MB . . 3.940 3.204 2.119 3.883 . 0 0 "[ . 1 . 2]" 1
1045 1 60 TYR QD 1 100 LEU MD1 . . 4.410 3.677 2.968 4.129 . 0 0 "[ . 1 . 2]" 1
1046 1 60 TYR QD 1 100 LEU MD2 . . 4.040 2.816 2.031 3.426 . 0 0 "[ . 1 . 2]" 1
1047 1 60 TYR QE 1 72 VAL MG1 . . 4.750 4.063 3.514 4.624 . 0 0 "[ . 1 . 2]" 1
1048 1 60 TYR QE 1 74 ALA HA . . 4.420 3.701 2.197 4.421 0.001 17 0 "[ . 1 . 2]" 1
1049 1 60 TYR QE 1 74 ALA MB . . 4.110 2.861 2.123 3.800 . 0 0 "[ . 1 . 2]" 1
1050 1 60 TYR QE 1 100 LEU HA . . 4.460 3.895 2.955 4.461 0.001 13 0 "[ . 1 . 2]" 1
1051 1 60 TYR QE 1 100 LEU HB3 . . 3.740 2.974 2.154 3.602 . 0 0 "[ . 1 . 2]" 1
1052 1 60 TYR QE 1 100 LEU MD1 . . 4.690 3.755 2.956 4.429 . 0 0 "[ . 1 . 2]" 1
1053 1 60 TYR QE 1 100 LEU MD2 . . 3.850 2.583 2.277 2.932 . 0 0 "[ . 1 . 2]" 1
1054 1 60 TYR QE 1 101 VAL H . . 4.440 3.098 2.468 3.623 . 0 0 "[ . 1 . 2]" 1
1055 1 60 TYR QE 1 101 VAL MG1 . . 3.820 2.886 2.350 3.610 . 0 0 "[ . 1 . 2]" 1
1056 1 61 ARG H 1 61 ARG HB2 . . 4.050 3.100 2.185 3.750 . 0 0 "[ . 1 . 2]" 1
1057 1 61 ARG H 1 61 ARG QB . . 3.540 2.482 2.164 3.059 . 0 0 "[ . 1 . 2]" 1
1058 1 61 ARG H 1 61 ARG HB3 . . 4.050 3.033 2.372 3.740 . 0 0 "[ . 1 . 2]" 1
1059 1 61 ARG H 1 61 ARG QD . . 4.780 4.065 1.969 4.782 0.002 16 0 "[ . 1 . 2]" 1
1060 1 61 ARG H 1 61 ARG QG . . 3.370 2.467 1.857 3.367 . 0 0 "[ . 1 . 2]" 1
1061 1 61 ARG H 1 72 VAL MG1 . . 4.830 4.174 2.907 4.828 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ARG HA 1 61 ARG HG2 . . 4.190 3.173 2.195 3.834 . 0 0 "[ . 1 . 2]" 1
1063 1 61 ARG HA 1 61 ARG QG . . 3.640 2.913 2.155 3.396 . 0 0 "[ . 1 . 2]" 1
1064 1 61 ARG HA 1 61 ARG HG3 . . 4.190 3.579 3.073 4.202 0.012 10 0 "[ . 1 . 2]" 1
1065 1 61 ARG HA 1 62 ILE H . . 3.190 2.182 2.140 2.371 . 0 0 "[ . 1 . 2]" 1
1066 1 61 ARG HA 1 62 ILE HB . . 4.670 4.601 4.514 4.671 0.001 16 0 "[ . 1 . 2]" 1
1067 1 61 ARG HA 1 62 ILE MD . . 4.690 3.335 2.599 4.689 . 0 0 "[ . 1 . 2]" 1
1068 1 61 ARG QB 1 62 ILE H . . 4.220 3.124 2.568 3.562 . 0 0 "[ . 1 . 2]" 1
1069 1 61 ARG QB 1 63 LEU QD . . 3.580 2.401 1.847 3.024 . 0 0 "[ . 1 . 2]" 1
1070 1 61 ARG HB2 1 62 ILE H . . 4.880 3.623 2.601 4.501 . 0 0 "[ . 1 . 2]" 1
1071 1 61 ARG HB3 1 62 ILE H . . 4.880 3.805 2.871 4.270 . 0 0 "[ . 1 . 2]" 1
1072 1 61 ARG QD 1 63 LEU MD1 . . 4.240 3.840 2.509 4.245 0.005 10 0 "[ . 1 . 2]" 1
1073 1 61 ARG QD 1 63 LEU QD . . 3.260 2.502 1.903 2.951 . 0 0 "[ . 1 . 2]" 1
1074 1 61 ARG QD 1 63 LEU MD2 . . 4.240 2.698 1.907 4.204 . 0 0 "[ . 1 . 2]" 1
1075 1 61 ARG QG 1 62 ILE H . . 4.630 4.019 3.239 4.441 . 0 0 "[ . 1 . 2]" 1
1076 1 62 ILE H 1 62 ILE HB . . 3.590 2.603 2.470 2.798 . 0 0 "[ . 1 . 2]" 1
1077 1 62 ILE H 1 62 ILE MD . . 4.330 2.584 1.880 3.712 . 0 0 "[ . 1 . 2]" 1
1078 1 62 ILE H 1 62 ILE HG12 . . 4.690 4.219 4.041 4.466 . 0 0 "[ . 1 . 2]" 1
1079 1 62 ILE H 1 62 ILE HG13 . . 3.910 3.239 2.646 3.664 . 0 0 "[ . 1 . 2]" 1
1080 1 62 ILE H 1 62 ILE MG . . 4.260 3.832 3.775 3.919 . 0 0 "[ . 1 . 2]" 1
1081 1 62 ILE HA 1 62 ILE MD . . 3.930 3.504 3.269 3.914 . 0 0 "[ . 1 . 2]" 1
1082 1 62 ILE HA 1 62 ILE HG12 . . 4.240 3.306 2.767 3.559 . 0 0 "[ . 1 . 2]" 1
1083 1 62 ILE HA 1 62 ILE HG13 . . 4.160 2.456 2.289 2.770 . 0 0 "[ . 1 . 2]" 1
1084 1 62 ILE HA 1 62 ILE MG . . 3.320 2.357 2.245 2.455 . 0 0 "[ . 1 . 2]" 1
1085 1 62 ILE HA 1 63 LEU H . . 3.110 2.186 2.143 2.203 . 0 0 "[ . 1 . 2]" 1
1086 1 62 ILE HB 1 62 ILE MD . . 3.390 2.235 2.104 2.308 . 0 0 "[ . 1 . 2]" 1
1087 1 62 ILE HB 1 63 LEU H . . 4.790 4.418 4.323 4.465 . 0 0 "[ . 1 . 2]" 1
1088 1 62 ILE HB 1 86 LEU MD1 . . 5.500 4.996 3.664 5.499 . 0 0 "[ . 1 . 2]" 1
1089 1 62 ILE HB 1 86 LEU MD2 . . 4.560 4.246 3.860 4.559 . 0 0 "[ . 1 . 2]" 1
1090 1 62 ILE MD 1 72 VAL HA . . 5.070 3.966 3.650 4.406 . 0 0 "[ . 1 . 2]" 1
1091 1 62 ILE HG13 1 63 LEU H . . 4.870 4.615 4.395 4.873 0.003 7 0 "[ . 1 . 2]" 1
1092 1 62 ILE HG13 1 72 VAL HA . . 5.020 2.618 2.002 3.576 . 0 0 "[ . 1 . 2]" 1
1093 1 62 ILE HG13 1 72 VAL MG1 . . 4.660 3.101 2.232 3.734 . 0 0 "[ . 1 . 2]" 1
1094 1 62 ILE MG 1 63 LEU H . . 3.710 3.096 2.826 3.274 . 0 0 "[ . 1 . 2]" 1
1095 1 62 ILE MG 1 63 LEU HA . . 5.500 4.029 3.823 4.220 . 0 0 "[ . 1 . 2]" 1
1096 1 62 ILE MG 1 70 PHE HB2 . . 4.160 3.913 3.261 4.164 0.004 17 0 "[ . 1 . 2]" 1
1097 1 62 ILE MG 1 70 PHE HB3 . . 3.530 2.502 1.926 2.816 . 0 0 "[ . 1 . 2]" 1
1098 1 62 ILE MG 1 70 PHE QD . . 3.500 2.328 2.006 2.668 . 0 0 "[ . 1 . 2]" 1
1099 1 62 ILE MG 1 70 PHE QE . . 4.560 4.133 3.703 4.537 . 0 0 "[ . 1 . 2]" 1
1100 1 62 ILE MG 1 71 THR H . . 4.120 2.408 2.059 2.912 . 0 0 "[ . 1 . 2]" 1
1101 1 62 ILE MG 1 89 LEU MD1 . . 3.160 2.863 2.462 3.064 . 0 0 "[ . 1 . 2]" 1
1102 1 62 ILE MG 1 89 LEU MD2 . . 4.340 3.978 3.653 4.301 . 0 0 "[ . 1 . 2]" 1
1103 1 63 LEU H 1 63 LEU QB . . 3.310 2.306 2.165 2.419 . 0 0 "[ . 1 . 2]" 1
1104 1 63 LEU H 1 63 LEU MD1 . . 4.420 3.792 2.619 4.143 . 0 0 "[ . 1 . 2]" 1
1105 1 63 LEU H 1 63 LEU MD2 . . 4.420 2.318 1.754 4.168 . 0 0 "[ . 1 . 2]" 1
1106 1 63 LEU H 1 63 LEU HG . . 4.230 3.905 2.830 4.218 . 0 0 "[ . 1 . 2]" 1
1107 1 63 LEU H 1 71 THR H . . 4.830 4.544 4.065 4.829 . 0 0 "[ . 1 . 2]" 1
1108 1 63 LEU H 1 72 VAL HA . . 4.360 4.097 3.672 4.357 . 0 0 "[ . 1 . 2]" 1
1109 1 63 LEU H 1 73 GLN H . . 4.940 3.952 2.730 4.942 0.002 17 0 "[ . 1 . 2]" 1
1110 1 63 LEU HA 1 63 LEU MD1 . . 4.180 2.272 1.997 3.622 . 0 0 "[ . 1 . 2]" 1
1111 1 63 LEU HA 1 63 LEU QD . . 3.100 2.072 1.905 2.562 . 0 0 "[ . 1 . 2]" 1
1112 1 63 LEU HA 1 63 LEU MD2 . . 4.180 2.642 1.912 3.775 . 0 0 "[ . 1 . 2]" 1
1113 1 63 LEU HA 1 63 LEU HG . . 4.030 3.609 2.382 3.802 . 0 0 "[ . 1 . 2]" 1
1114 1 63 LEU HA 1 64 PRO HD2 . . 3.350 2.275 2.125 2.526 . 0 0 "[ . 1 . 2]" 1
1115 1 63 LEU HA 1 64 PRO HD3 . . 3.300 2.270 2.254 2.358 . 0 0 "[ . 1 . 2]" 1
1116 1 63 LEU HA 1 64 PRO QG . . 4.190 3.928 3.845 4.084 . 0 0 "[ . 1 . 2]" 1
1117 1 63 LEU QB 1 63 LEU QD . . 2.820 2.004 1.915 2.057 . 0 0 "[ . 1 . 2]" 1
1118 1 63 LEU QB 1 64 PRO HD2 . . 3.600 2.356 1.988 2.671 . 0 0 "[ . 1 . 2]" 1
1119 1 63 LEU QB 1 64 PRO HD3 . . 3.950 3.638 3.353 3.863 . 0 0 "[ . 1 . 2]" 1
1120 1 63 LEU QB 1 64 PRO QG . . 4.390 3.776 3.456 4.028 . 0 0 "[ . 1 . 2]" 1
1121 1 63 LEU QB 1 73 GLN QG . . 4.270 3.206 2.072 4.174 . 0 0 "[ . 1 . 2]" 1
1122 1 63 LEU QD 1 64 PRO HD2 . . 3.570 2.324 1.886 3.007 . 0 0 "[ . 1 . 2]" 1
1123 1 63 LEU QD 1 64 PRO HD3 . . 3.840 3.152 2.811 3.861 0.021 11 0 "[ . 1 . 2]" 1
1124 1 63 LEU QD 1 73 GLN QB . . 3.900 3.349 2.039 3.897 . 0 0 "[ . 1 . 2]" 1
1125 1 63 LEU QD 1 73 GLN QE . . 4.490 3.561 2.292 4.491 0.001 20 0 "[ . 1 . 2]" 1
1126 1 63 LEU QD 1 73 GLN QG . . 3.660 3.069 2.183 3.647 . 0 0 "[ . 1 . 2]" 1
1127 1 63 LEU MD1 1 64 PRO HD2 . . 4.340 2.469 1.890 3.919 . 0 0 "[ . 1 . 2]" 1
1128 1 63 LEU MD1 1 64 PRO HD3 . . 4.840 3.332 2.846 4.642 . 0 0 "[ . 1 . 2]" 1
1129 1 63 LEU MD2 1 64 PRO HD2 . . 4.340 3.923 2.720 4.346 0.006 10 0 "[ . 1 . 2]" 1
1130 1 63 LEU MD2 1 64 PRO HD3 . . 4.840 4.346 3.152 4.668 . 0 0 "[ . 1 . 2]" 1
1131 1 63 LEU HG 1 73 GLN QG . . 4.680 4.176 2.964 4.688 0.008 16 0 "[ . 1 . 2]" 1
1132 1 64 PRO HA 1 65 ASN H . . 3.390 2.246 2.153 2.365 . 0 0 "[ . 1 . 2]" 1
1133 1 64 PRO HA 1 65 ASN QB . . 4.600 4.178 3.963 4.569 . 0 0 "[ . 1 . 2]" 1
1134 1 64 PRO HA 1 68 ASP HA . . 4.770 4.101 3.444 4.723 . 0 0 "[ . 1 . 2]" 1
1135 1 64 PRO QB 1 65 ASN H . . 3.850 2.986 2.623 3.594 . 0 0 "[ . 1 . 2]" 1
1136 1 64 PRO QB 1 68 ASP HA . . 3.850 2.847 2.102 3.372 . 0 0 "[ . 1 . 2]" 1
1137 1 64 PRO QG 1 68 ASP HA . . 5.200 4.720 3.952 5.198 . 0 0 "[ . 1 . 2]" 1
1138 1 65 ASN H 1 65 ASN QB . . 3.690 2.470 2.190 3.032 . 0 0 "[ . 1 . 2]" 1
1139 1 65 ASN H 1 68 ASP HA . . 4.650 3.280 2.828 4.364 . 0 0 "[ . 1 . 2]" 1
1140 1 65 ASN H 1 69 LYS H . . 3.880 2.579 1.961 3.372 . 0 0 "[ . 1 . 2]" 1
1141 1 65 ASN QB 1 69 LYS H . . 4.560 2.761 2.054 4.092 . 0 0 "[ . 1 . 2]" 1
1142 1 65 ASN QB 1 69 LYS HB2 . . 4.530 2.450 1.922 4.203 . 0 0 "[ . 1 . 2]" 1
1143 1 65 ASN QB 1 71 THR MG . . 3.860 2.868 1.904 3.838 . 0 0 "[ . 1 . 2]" 1
1144 1 65 ASN HB2 1 71 THR MG . . 4.600 3.326 1.946 4.378 . 0 0 "[ . 1 . 2]" 1
1145 1 65 ASN HB3 1 71 THR MG . . 4.600 3.613 2.259 4.477 . 0 0 "[ . 1 . 2]" 1
1146 1 65 ASN QD 1 69 LYS HB2 . . 5.200 3.558 1.903 4.945 . 0 0 "[ . 1 . 2]" 1
1147 1 66 GLU HA 1 66 GLU HG2 . . 4.020 3.257 2.393 3.857 . 0 0 "[ . 1 . 2]" 1
1148 1 66 GLU HA 1 66 GLU QG . . 3.480 2.705 2.280 3.339 . 0 0 "[ . 1 . 2]" 1
1149 1 66 GLU HA 1 66 GLU HG3 . . 4.020 3.048 2.307 3.860 . 0 0 "[ . 1 . 2]" 1
1150 1 66 GLU HA 1 68 ASP H . . 4.440 3.648 3.349 3.800 . 0 0 "[ . 1 . 2]" 1
1151 1 66 GLU QB 1 67 ASP H . . 3.900 2.793 2.131 3.713 . 0 0 "[ . 1 . 2]" 1
1152 1 66 GLU HB2 1 67 ASP H . . 4.470 3.352 2.315 4.270 . 0 0 "[ . 1 . 2]" 1
1153 1 66 GLU HB3 1 67 ASP H . . 4.470 3.307 2.152 4.154 . 0 0 "[ . 1 . 2]" 1
1154 1 66 GLU QG 1 67 ASP H . . 4.280 3.458 1.964 4.279 . 0 0 "[ . 1 . 2]" 1
1155 1 67 ASP H 1 67 ASP HB2 . . 3.610 2.492 2.254 3.611 0.001 4 0 "[ . 1 . 2]" 1
1156 1 67 ASP H 1 67 ASP HB3 . . 3.990 3.590 2.845 3.997 0.007 4 0 "[ . 1 . 2]" 1
1157 1 67 ASP H 1 68 ASP H . . 3.620 2.905 2.532 3.156 . 0 0 "[ . 1 . 2]" 1
1158 1 67 ASP HB2 1 68 ASP H . . 4.630 4.174 3.855 4.539 . 0 0 "[ . 1 . 2]" 1
1159 1 67 ASP HB2 1 69 LYS QD . . 4.750 4.094 3.090 4.755 0.005 7 0 "[ . 1 . 2]" 1
1160 1 67 ASP HB2 1 69 LYS QE . . 4.520 3.341 2.229 4.514 . 0 0 "[ . 1 . 2]" 1
1161 1 67 ASP HB2 1 69 LYS HG2 . . 4.600 2.702 1.997 4.180 . 0 0 "[ . 1 . 2]" 1
1162 1 67 ASP HB2 1 69 LYS HG3 . . 4.600 2.733 2.240 4.239 . 0 0 "[ . 1 . 2]" 1
1163 1 67 ASP HB3 1 68 ASP H . . 4.860 4.382 4.036 4.504 . 0 0 "[ . 1 . 2]" 1
1164 1 67 ASP HB3 1 69 LYS H . . 5.130 4.374 3.700 5.115 . 0 0 "[ . 1 . 2]" 1
1165 1 67 ASP HB3 1 69 LYS QD . . 4.690 4.135 2.837 4.684 . 0 0 "[ . 1 . 2]" 1
1166 1 67 ASP HB3 1 69 LYS QG . . 4.310 2.634 1.962 3.094 . 0 0 "[ . 1 . 2]" 1
1167 1 68 ASP H 1 69 LYS H . . 3.560 2.865 2.627 3.066 . 0 0 "[ . 1 . 2]" 1
1168 1 69 LYS H 1 69 LYS HB2 . . 3.670 2.451 2.289 2.605 . 0 0 "[ . 1 . 2]" 1
1169 1 69 LYS H 1 69 LYS QE . . 4.890 4.570 3.644 4.890 . 3 0 "[ . 1 . 2]" 1
1170 1 69 LYS H 1 69 LYS HG2 . . 4.090 2.677 2.286 3.759 . 0 0 "[ . 1 . 2]" 1
1171 1 69 LYS H 1 69 LYS HG3 . . 4.090 3.544 3.052 3.871 . 0 0 "[ . 1 . 2]" 1
1172 1 69 LYS HA 1 69 LYS HD2 . . 4.400 3.766 2.215 4.401 0.001 18 0 "[ . 1 . 2]" 1
1173 1 69 LYS HA 1 69 LYS QD . . 3.810 2.507 2.005 3.717 . 0 0 "[ . 1 . 2]" 1
1174 1 69 LYS HA 1 69 LYS HD3 . . 4.400 2.639 2.016 4.007 . 0 0 "[ . 1 . 2]" 1
1175 1 69 LYS HA 1 69 LYS HG2 . . 4.160 2.734 2.246 3.041 . 0 0 "[ . 1 . 2]" 1
1176 1 69 LYS HA 1 69 LYS QG . . 3.570 2.668 2.203 2.934 . 0 0 "[ . 1 . 2]" 1
1177 1 69 LYS HA 1 69 LYS HG3 . . 4.160 3.732 3.182 3.856 . 0 0 "[ . 1 . 2]" 1
1178 1 69 LYS HA 1 70 PHE H . . 3.310 2.374 2.169 2.653 . 0 0 "[ . 1 . 2]" 1
1179 1 69 LYS HA 1 70 PHE QD . . 4.620 4.003 2.858 4.538 . 0 0 "[ . 1 . 2]" 1
1180 1 69 LYS HB2 1 70 PHE H . . 4.150 3.715 3.112 4.148 . 0 0 "[ . 1 . 2]" 1
1181 1 69 LYS HB2 1 82 PHE QB . . 3.920 2.730 2.007 3.667 . 0 0 "[ . 1 . 2]" 1
1182 1 69 LYS HB2 1 82 PHE QD . . 4.420 3.219 2.710 4.155 . 0 0 "[ . 1 . 2]" 1
1183 1 69 LYS HB3 1 69 LYS QE . . 4.350 3.814 2.018 4.108 . 0 0 "[ . 1 . 2]" 1
1184 1 69 LYS HB3 1 70 PHE H . . 3.830 2.572 1.939 3.171 . 0 0 "[ . 1 . 2]" 1
1185 1 69 LYS HB3 1 82 PHE HA . . 4.820 3.654 3.193 4.244 . 0 0 "[ . 1 . 2]" 1
1186 1 69 LYS HB3 1 82 PHE QB . . 3.690 2.323 2.019 3.230 . 0 0 "[ . 1 . 2]" 1
1187 1 69 LYS HB3 1 82 PHE QD . . 4.270 3.672 3.155 4.188 . 0 0 "[ . 1 . 2]" 1
1188 1 69 LYS HB3 1 83 PHE H . . 4.630 3.145 2.332 3.780 . 0 0 "[ . 1 . 2]" 1
1189 1 69 LYS HB3 1 84 THR HA . . 4.870 4.063 3.230 4.741 . 0 0 "[ . 1 . 2]" 1
1190 1 69 LYS QD 1 70 PHE H . . 4.730 3.489 2.898 4.583 . 0 0 "[ . 1 . 2]" 1
1191 1 69 LYS QD 1 82 PHE QB . . 3.620 2.664 2.005 3.600 . 0 0 "[ . 1 . 2]" 1
1192 1 69 LYS QD 1 84 THR HA . . 3.500 2.469 1.996 3.358 . 0 0 "[ . 1 . 2]" 1
1193 1 69 LYS HD2 1 82 PHE QB . . 4.140 2.798 2.018 3.976 . 0 0 "[ . 1 . 2]" 1
1194 1 69 LYS HD3 1 82 PHE QB . . 4.140 3.679 2.771 4.115 . 0 0 "[ . 1 . 2]" 1
1195 1 69 LYS QE 1 69 LYS QG . . 3.270 2.194 2.056 2.471 . 0 0 "[ . 1 . 2]" 1
1196 1 69 LYS QE 1 84 THR HA . . 4.470 3.391 2.061 4.378 . 0 0 "[ . 1 . 2]" 1
1197 1 69 LYS QE 1 84 THR MG . . 3.580 3.339 2.695 3.583 0.003 13 0 "[ . 1 . 2]" 1
1198 1 69 LYS QG 1 82 PHE QB . . 4.400 2.736 1.971 4.103 . 0 0 "[ . 1 . 2]" 1
1199 1 70 PHE H 1 70 PHE HB2 . . 3.610 2.483 2.309 2.710 . 0 0 "[ . 1 . 2]" 1
1200 1 70 PHE H 1 70 PHE HB3 . . 4.130 3.667 3.570 3.816 . 0 0 "[ . 1 . 2]" 1
1201 1 70 PHE H 1 70 PHE QD . . 3.880 3.079 2.203 3.561 . 0 0 "[ . 1 . 2]" 1
1202 1 70 PHE HA 1 70 PHE QD . . 3.520 2.547 2.136 3.123 . 0 0 "[ . 1 . 2]" 1
1203 1 70 PHE HA 1 71 THR H . . 3.190 2.162 2.139 2.298 . 0 0 "[ . 1 . 2]" 1
1204 1 70 PHE HB2 1 71 THR H . . 4.540 4.396 4.192 4.523 . 0 0 "[ . 1 . 2]" 1
1205 1 70 PHE HB2 1 89 LEU MD1 . . 3.830 3.129 2.393 3.604 . 0 0 "[ . 1 . 2]" 1
1206 1 70 PHE HB3 1 71 THR H . . 4.290 3.622 3.128 4.116 . 0 0 "[ . 1 . 2]" 1
1207 1 70 PHE HB3 1 86 LEU MD1 . . 4.440 3.918 3.224 4.440 . 0 0 "[ . 1 . 2]" 1
1208 1 70 PHE HB3 1 86 LEU MD2 . . 4.640 2.652 2.185 3.179 . 0 0 "[ . 1 . 2]" 1
1209 1 70 PHE HB3 1 89 LEU MD1 . . 3.880 2.785 2.493 3.176 . 0 0 "[ . 1 . 2]" 1
1210 1 70 PHE HB3 1 89 LEU MD2 . . 4.740 4.548 4.263 4.734 . 0 0 "[ . 1 . 2]" 1
1211 1 70 PHE QD 1 71 THR H . . 4.500 4.060 3.614 4.482 . 0 0 "[ . 1 . 2]" 1
1212 1 70 PHE QD 1 86 LEU MD1 . . 4.530 4.316 3.592 4.523 . 0 0 "[ . 1 . 2]" 1
1213 1 70 PHE QE 1 86 LEU MD1 . . 5.500 5.174 4.575 5.497 . 0 0 "[ . 1 . 2]" 1
1214 1 70 PHE QE 1 86 LEU MD2 . . 4.610 3.112 2.771 3.405 . 0 0 "[ . 1 . 2]" 1
1215 1 70 PHE HZ 1 86 LEU MD2 . . 4.610 3.873 3.197 4.310 . 0 0 "[ . 1 . 2]" 1
1216 1 71 THR H 1 71 THR MG . . 3.480 2.401 1.884 3.185 . 0 0 "[ . 1 . 2]" 1
1217 1 71 THR H 1 72 VAL H . . 5.140 4.245 3.940 4.470 . 0 0 "[ . 1 . 2]" 1
1218 1 71 THR HA 1 71 THR MG . . 3.440 2.920 2.231 3.207 . 0 0 "[ . 1 . 2]" 1
1219 1 71 THR HA 1 72 VAL H . . 3.340 2.192 2.141 2.341 . 0 0 "[ . 1 . 2]" 1
1220 1 71 THR HA 1 82 PHE HA . . 4.380 4.024 3.446 4.365 . 0 0 "[ . 1 . 2]" 1
1221 1 71 THR HA 1 89 LEU MD1 . . 4.030 2.324 1.831 2.696 . 0 0 "[ . 1 . 2]" 1
1222 1 71 THR HB 1 72 VAL H . . 4.160 3.848 2.954 4.164 0.004 16 0 "[ . 1 . 2]" 1
1223 1 71 THR HB 1 80 MET ME . . 4.530 3.804 1.954 4.526 . 0 0 "[ . 1 . 2]" 1
1224 1 71 THR HB 1 82 PHE HA . . 4.380 3.009 2.306 4.352 . 0 0 "[ . 1 . 2]" 1
1225 1 71 THR HB 1 82 PHE QB . . 5.200 4.260 3.609 5.165 . 0 0 "[ . 1 . 2]" 1
1226 1 71 THR HB 1 82 PHE QD . . 4.130 3.063 2.150 4.128 . 0 0 "[ . 1 . 2]" 1
1227 1 71 THR HB 1 82 PHE QE . . 4.800 4.180 3.610 4.761 . 0 0 "[ . 1 . 2]" 1
1228 1 71 THR MG 1 72 VAL H . . 4.420 3.999 3.426 4.318 . 0 0 "[ . 1 . 2]" 1
1229 1 71 THR MG 1 80 MET ME . . 4.280 2.924 2.029 4.129 . 0 0 "[ . 1 . 2]" 1
1230 1 71 THR MG 1 82 PHE HA . . 4.130 3.209 1.944 3.972 . 0 0 "[ . 1 . 2]" 1
1231 1 71 THR MG 1 82 PHE QB . . 4.420 3.575 2.444 4.327 . 0 0 "[ . 1 . 2]" 1
1232 1 71 THR MG 1 82 PHE QD . . 3.820 2.138 1.789 2.447 . 0 0 "[ . 1 . 2]" 1
1233 1 71 THR MG 1 82 PHE QE . . 3.640 2.692 2.080 3.325 . 0 0 "[ . 1 . 2]" 1
1234 1 71 THR MG 1 82 PHE HZ . . 4.820 4.546 3.934 4.811 . 0 0 "[ . 1 . 2]" 1
1235 1 72 VAL H 1 72 VAL HB . . 3.650 2.575 2.425 2.715 . 0 0 "[ . 1 . 2]" 1
1236 1 72 VAL H 1 72 VAL MG2 . . 3.560 2.194 1.870 2.767 . 0 0 "[ . 1 . 2]" 1
1237 1 72 VAL H 1 73 GLN H . . 5.460 4.430 2.481 4.614 . 0 0 "[ . 1 . 2]" 1
1238 1 72 VAL H 1 89 LEU MD1 . . 4.510 2.612 2.036 3.106 . 0 0 "[ . 1 . 2]" 1
1239 1 72 VAL HA 1 72 VAL MG1 . . 3.520 2.322 2.185 2.491 . 0 0 "[ . 1 . 2]" 1
1240 1 72 VAL HA 1 72 VAL MG2 . . 3.490 2.394 2.240 2.526 . 0 0 "[ . 1 . 2]" 1
1241 1 72 VAL HA 1 73 GLN H . . 3.370 2.249 2.142 3.423 0.053 17 0 "[ . 1 . 2]" 1
1242 1 72 VAL HA 1 73 GLN QB . . 4.670 4.270 3.999 4.630 . 0 0 "[ . 1 . 2]" 1
1243 1 72 VAL HB 1 74 ALA MB . . 4.330 3.607 2.988 4.177 . 0 0 "[ . 1 . 2]" 1
1244 1 72 VAL HB 1 89 LEU MD1 . . 4.540 4.078 3.487 4.528 . 0 0 "[ . 1 . 2]" 1
1245 1 72 VAL HB 1 93 TYR QE . . 4.790 3.054 2.012 3.852 . 0 0 "[ . 1 . 2]" 1
1246 1 72 VAL MG1 1 73 GLN H . . 3.830 2.442 1.892 3.841 0.011 17 0 "[ . 1 . 2]" 1
1247 1 72 VAL MG1 1 73 GLN QB . . 4.730 3.925 3.475 4.733 0.003 16 0 "[ . 1 . 2]" 1
1248 1 72 VAL MG1 1 74 ALA MB . . 3.760 2.419 1.848 3.060 . 0 0 "[ . 1 . 2]" 1
1249 1 72 VAL MG1 1 93 TYR QE . . 4.930 3.600 2.663 4.457 . 0 0 "[ . 1 . 2]" 1
1250 1 72 VAL MG1 1 100 LEU MD1 . . 4.760 4.245 3.381 4.683 . 0 0 "[ . 1 . 2]" 1
1251 1 72 VAL MG1 1 100 LEU MD2 . . 3.570 2.851 2.354 3.288 . 0 0 "[ . 1 . 2]" 1
1252 1 72 VAL MG2 1 73 GLN H . . 4.390 4.018 3.789 4.284 . 0 0 "[ . 1 . 2]" 1
1253 1 72 VAL MG2 1 89 LEU MD2 . . 3.330 2.481 2.082 2.937 . 0 0 "[ . 1 . 2]" 1
1254 1 72 VAL MG2 1 93 TYR QD . . 4.120 3.611 3.212 3.989 . 0 0 "[ . 1 . 2]" 1
1255 1 72 VAL MG2 1 93 TYR QE . . 3.480 2.566 1.989 3.202 . 0 0 "[ . 1 . 2]" 1
1256 1 72 VAL MG2 1 100 LEU MD1 . . 4.600 3.993 3.473 4.548 . 0 0 "[ . 1 . 2]" 1
1257 1 72 VAL MG2 1 100 LEU MD2 . . 4.030 3.489 2.743 4.031 0.001 20 0 "[ . 1 . 2]" 1
1258 1 73 GLN H 1 73 GLN HB2 . . 4.060 2.570 2.231 3.601 . 0 0 "[ . 1 . 2]" 1
1259 1 73 GLN H 1 73 GLN QB . . 3.540 2.430 2.206 3.328 . 0 0 "[ . 1 . 2]" 1
1260 1 73 GLN H 1 73 GLN HB3 . . 4.060 3.360 2.459 4.040 . 0 0 "[ . 1 . 2]" 1
1261 1 73 GLN H 1 73 GLN QG . . 4.230 2.995 1.881 4.099 . 0 0 "[ . 1 . 2]" 1
1262 1 73 GLN HA 1 73 GLN QG . . 3.430 2.524 2.141 3.405 . 0 0 "[ . 1 . 2]" 1
1263 1 73 GLN HA 1 74 ALA H . . 3.490 2.543 2.145 3.532 0.042 11 0 "[ . 1 . 2]" 1
1264 1 73 GLN QG 1 74 ALA H . . 4.490 4.328 3.845 4.502 0.012 4 0 "[ . 1 . 2]" 1
1265 1 74 ALA H 1 74 ALA MB . . 3.510 2.290 2.071 2.606 . 0 0 "[ . 1 . 2]" 1
1266 1 74 ALA MB 1 100 LEU MD2 . . 3.730 3.313 2.775 3.721 . 0 0 "[ . 1 . 2]" 1
1267 1 75 SER QB 1 76 GLU H . . 5.450 3.029 2.014 3.927 . 0 0 "[ . 1 . 2]" 1
1268 1 76 GLU HA 1 76 GLU QG . . 3.570 2.698 2.177 3.459 . 0 0 "[ . 1 . 2]" 1
1269 1 76 GLU HA 1 77 GLY QA . . 5.140 4.093 3.891 4.543 . 0 0 "[ . 1 . 2]" 1
1270 1 76 GLU QG 1 77 GLY QA . . 4.760 3.961 3.053 4.746 . 0 0 "[ . 1 . 2]" 1
1271 1 77 GLY QA 1 78 VAL HA . . 5.340 4.007 3.937 4.298 . 0 0 "[ . 1 . 2]" 1
1272 1 78 VAL H 1 78 VAL HB . . 3.690 3.182 2.482 3.698 0.008 9 0 "[ . 1 . 2]" 1
1273 1 78 VAL H 1 78 VAL MG1 . . 4.480 2.830 1.919 3.875 . 0 0 "[ . 1 . 2]" 1
1274 1 78 VAL H 1 78 VAL QG . . 3.890 2.073 1.845 2.825 . 0 0 "[ . 1 . 2]" 1
1275 1 78 VAL H 1 78 VAL MG2 . . 4.480 2.535 1.877 3.854 . 0 0 "[ . 1 . 2]" 1
1276 1 78 VAL H 1 79 SER H . . 4.820 3.302 2.082 4.644 . 0 0 "[ . 1 . 2]" 1
1277 1 78 VAL HA 1 78 VAL MG1 . . 3.740 2.513 2.164 3.200 . 0 0 "[ . 1 . 2]" 1
1278 1 78 VAL HA 1 78 VAL MG2 . . 3.740 2.741 2.246 3.203 . 0 0 "[ . 1 . 2]" 1
1279 1 78 VAL HB 1 79 SER H . . 4.780 3.507 2.233 4.511 . 0 0 "[ . 1 . 2]" 1
1280 1 78 VAL QG 1 79 SER H . . 4.280 2.821 1.867 3.619 . 0 0 "[ . 1 . 2]" 1
1281 1 78 VAL MG1 1 79 SER H . . 5.110 3.523 1.874 4.346 . 0 0 "[ . 1 . 2]" 1
1282 1 78 VAL MG2 1 79 SER H . . 5.110 3.377 1.893 4.284 . 0 0 "[ . 1 . 2]" 1
1283 1 80 MET HA 1 80 MET HG2 . . 4.100 3.073 2.202 3.829 . 0 0 "[ . 1 . 2]" 1
1284 1 80 MET HA 1 80 MET QG . . 3.550 2.622 2.156 3.379 . 0 0 "[ . 1 . 2]" 1
1285 1 80 MET HA 1 80 MET HG3 . . 4.100 3.180 2.288 4.172 0.072 2 0 "[ . 1 . 2]" 1
1286 1 80 MET HA 1 81 ARG H . . 3.320 2.226 2.141 2.439 . 0 0 "[ . 1 . 2]" 1
1287 1 80 MET HA 1 81 ARG QG . . 4.660 4.299 3.897 4.637 . 0 0 "[ . 1 . 2]" 1
1288 1 80 MET QB 1 81 ARG H . . 4.000 3.308 2.451 3.953 . 0 0 "[ . 1 . 2]" 1
1289 1 80 MET ME 1 82 PHE QD . . 4.650 4.053 3.503 4.540 . 0 0 "[ . 1 . 2]" 1
1290 1 80 MET ME 1 82 PHE QE . . 4.140 2.780 1.929 3.898 . 0 0 "[ . 1 . 2]" 1
1291 1 80 MET ME 1 82 PHE HZ . . 4.710 3.246 2.060 4.638 . 0 0 "[ . 1 . 2]" 1
1292 1 81 ARG H 1 81 ARG HB2 . . 4.130 2.464 2.190 2.659 . 0 0 "[ . 1 . 2]" 1
1293 1 81 ARG H 1 81 ARG QB . . 3.620 2.424 2.169 2.605 . 0 0 "[ . 1 . 2]" 1
1294 1 81 ARG H 1 81 ARG HB3 . . 4.130 3.622 3.495 3.740 . 0 0 "[ . 1 . 2]" 1
1295 1 81 ARG HA 1 81 ARG HD2 . . 4.740 4.361 3.796 4.682 . 0 0 "[ . 1 . 2]" 1
1296 1 81 ARG HA 1 81 ARG HD3 . . 4.740 3.775 2.384 4.686 . 0 0 "[ . 1 . 2]" 1
1297 1 81 ARG HA 1 81 ARG HG2 . . 4.070 2.343 2.175 2.736 . 0 0 "[ . 1 . 2]" 1
1298 1 81 ARG HA 1 81 ARG HG3 . . 4.070 3.221 2.437 3.698 . 0 0 "[ . 1 . 2]" 1
1299 1 81 ARG HA 1 82 PHE H . . 3.100 2.344 2.140 2.638 . 0 0 "[ . 1 . 2]" 1
1300 1 81 ARG HA 1 82 PHE QB . . 5.300 4.460 4.299 4.563 . 0 0 "[ . 1 . 2]" 1
1301 1 81 ARG HA 1 82 PHE QD . . 4.300 3.472 2.467 4.241 . 0 0 "[ . 1 . 2]" 1
1302 1 81 ARG QB 1 81 ARG QD . . 3.250 2.135 2.008 2.334 . 0 0 "[ . 1 . 2]" 1
1303 1 81 ARG QB 1 83 PHE HZ . . 4.020 2.718 1.968 3.407 . 0 0 "[ . 1 . 2]" 1
1304 1 81 ARG HB2 1 81 ARG HD2 . . 4.160 3.212 2.377 4.127 . 0 0 "[ . 1 . 2]" 1
1305 1 81 ARG HB2 1 81 ARG HD3 . . 4.160 3.297 2.690 3.796 . 0 0 "[ . 1 . 2]" 1
1306 1 81 ARG HB2 1 83 PHE QE . . 4.120 3.183 2.641 3.967 . 0 0 "[ . 1 . 2]" 1
1307 1 81 ARG HB2 1 83 PHE HZ . . 4.660 3.232 2.147 4.174 . 0 0 "[ . 1 . 2]" 1
1308 1 81 ARG HB3 1 81 ARG HD2 . . 4.160 2.972 2.363 3.587 . 0 0 "[ . 1 . 2]" 1
1309 1 81 ARG HB3 1 81 ARG HD3 . . 4.160 2.447 2.103 3.647 . 0 0 "[ . 1 . 2]" 1
1310 1 81 ARG HB3 1 83 PHE QE . . 4.120 3.066 2.171 3.796 . 0 0 "[ . 1 . 2]" 1
1311 1 81 ARG HB3 1 83 PHE HZ . . 4.660 3.030 2.280 3.787 . 0 0 "[ . 1 . 2]" 1
1312 1 81 ARG QD 1 83 PHE QD . . 4.950 4.742 4.397 4.945 . 0 0 "[ . 1 . 2]" 1
1313 1 81 ARG QD 1 83 PHE QE . . 4.690 3.334 2.759 3.767 . 0 0 "[ . 1 . 2]" 1
1314 1 81 ARG QD 1 83 PHE HZ . . 3.910 2.995 2.325 3.704 . 0 0 "[ . 1 . 2]" 1
1315 1 81 ARG HD2 1 83 PHE HZ . . 4.480 3.511 2.467 4.456 . 0 0 "[ . 1 . 2]" 1
1316 1 81 ARG HD3 1 83 PHE HZ . . 4.480 3.651 2.341 4.298 . 0 0 "[ . 1 . 2]" 1
1317 1 81 ARG QG 1 83 PHE HZ . . 5.340 4.069 2.910 5.032 . 0 0 "[ . 1 . 2]" 1
1318 1 82 PHE H 1 82 PHE QB . . 3.490 2.744 2.508 3.011 . 0 0 "[ . 1 . 2]" 1
1319 1 82 PHE H 1 82 PHE QD . . 3.960 2.832 2.077 3.698 . 0 0 "[ . 1 . 2]" 1
1320 1 82 PHE HA 1 82 PHE QD . . 4.290 2.867 2.304 3.291 . 0 0 "[ . 1 . 2]" 1
1321 1 82 PHE HA 1 83 PHE H . . 3.350 2.177 2.138 2.334 . 0 0 "[ . 1 . 2]" 1
1322 1 82 PHE HA 1 83 PHE QD . . 4.400 3.254 2.604 3.651 . 0 0 "[ . 1 . 2]" 1
1323 1 82 PHE QB 1 83 PHE H . . 3.680 3.119 2.614 3.401 . 0 0 "[ . 1 . 2]" 1
1324 1 82 PHE QD 1 83 PHE H . . 4.950 4.339 3.872 4.709 . 0 0 "[ . 1 . 2]" 1
1325 1 83 PHE H 1 83 PHE QD . . 4.020 2.350 1.929 2.907 . 0 0 "[ . 1 . 2]" 1
1326 1 83 PHE H 1 83 PHE QE . . 5.280 4.323 4.011 4.809 . 0 0 "[ . 1 . 2]" 1
1327 1 83 PHE HA 1 83 PHE QD . . 4.140 3.127 2.944 3.352 . 0 0 "[ . 1 . 2]" 1
1328 1 83 PHE HB2 1 89 LEU HB2 . . 4.540 2.219 2.005 2.588 . 0 0 "[ . 1 . 2]" 1
1329 1 83 PHE HB2 1 89 LEU HB3 . . 4.620 3.758 3.460 4.252 . 0 0 "[ . 1 . 2]" 1
1330 1 83 PHE HB2 1 89 LEU MD1 . . 4.430 3.192 2.344 3.576 . 0 0 "[ . 1 . 2]" 1
1331 1 83 PHE HB3 1 85 LYS H . . 4.210 3.311 2.706 3.789 . 0 0 "[ . 1 . 2]" 1
1332 1 83 PHE HB3 1 88 GLN HB2 . . 4.540 2.670 2.114 3.497 . 0 0 "[ . 1 . 2]" 1
1333 1 83 PHE HB3 1 88 GLN HB3 . . 4.690 3.026 2.434 3.823 . 0 0 "[ . 1 . 2]" 1
1334 1 83 PHE HB3 1 89 LEU HB2 . . 4.720 3.360 2.719 3.640 . 0 0 "[ . 1 . 2]" 1
1335 1 83 PHE HB3 1 89 LEU MD1 . . 4.800 4.566 3.776 4.800 0.000 9 0 "[ . 1 . 2]" 1
1336 1 83 PHE QD 1 88 GLN HB2 . . 4.380 3.716 3.178 4.156 . 0 0 "[ . 1 . 2]" 1
1337 1 83 PHE QD 1 88 GLN HB3 . . 4.050 2.851 2.054 3.310 . 0 0 "[ . 1 . 2]" 1
1338 1 83 PHE QD 1 89 LEU HA . . 4.220 3.122 2.769 3.426 . 0 0 "[ . 1 . 2]" 1
1339 1 83 PHE QD 1 89 LEU HB2 . . 4.400 2.755 2.188 3.213 . 0 0 "[ . 1 . 2]" 1
1340 1 83 PHE QD 1 89 LEU HB3 . . 4.640 4.287 3.815 4.606 . 0 0 "[ . 1 . 2]" 1
1341 1 83 PHE QD 1 89 LEU MD1 . . 3.530 2.284 1.975 2.909 . 0 0 "[ . 1 . 2]" 1
1342 1 83 PHE QD 1 89 LEU HG . . 4.470 3.336 2.516 4.110 . 0 0 "[ . 1 . 2]" 1
1343 1 83 PHE QD 1 92 PHE HB2 . . 5.000 4.284 3.759 4.717 . 0 0 "[ . 1 . 2]" 1
1344 1 83 PHE QE 1 89 LEU HA . . 4.510 3.429 3.057 3.867 . 0 0 "[ . 1 . 2]" 1
1345 1 83 PHE QE 1 89 LEU MD1 . . 3.850 3.197 2.495 3.829 . 0 0 "[ . 1 . 2]" 1
1346 1 83 PHE QE 1 89 LEU HG . . 4.240 3.263 2.426 4.200 . 0 0 "[ . 1 . 2]" 1
1347 1 83 PHE QE 1 92 PHE H . . 5.210 4.856 4.350 5.171 . 0 0 "[ . 1 . 2]" 1
1348 1 83 PHE QE 1 92 PHE HB2 . . 4.050 2.817 2.327 3.299 . 0 0 "[ . 1 . 2]" 1
1349 1 83 PHE QE 1 92 PHE QD . . 4.280 2.991 2.243 3.710 . 0 0 "[ . 1 . 2]" 1
1350 1 83 PHE QE 1 93 TYR QE . . 3.990 2.758 2.044 3.621 . 0 0 "[ . 1 . 2]" 1
1351 1 83 PHE HZ 1 89 LEU HG . . 5.500 4.555 3.698 5.393 . 0 0 "[ . 1 . 2]" 1
1352 1 83 PHE HZ 1 92 PHE HB2 . . 4.590 3.711 2.852 4.531 . 0 0 "[ . 1 . 2]" 1
1353 1 83 PHE HZ 1 92 PHE HB3 . . 4.560 3.317 2.637 3.872 . 0 0 "[ . 1 . 2]" 1
1354 1 83 PHE HZ 1 92 PHE QD . . 4.190 2.846 2.510 3.325 . 0 0 "[ . 1 . 2]" 1
1355 1 83 PHE HZ 1 93 TYR QD . . 5.060 4.464 3.647 5.053 . 0 0 "[ . 1 . 2]" 1
1356 1 83 PHE HZ 1 93 TYR QE . . 4.500 3.753 2.416 4.468 . 0 0 "[ . 1 . 2]" 1
1357 1 84 THR HB 1 85 LYS H . . 4.130 3.260 2.158 4.101 . 0 0 "[ . 1 . 2]" 1
1358 1 84 THR HB 1 85 LYS QG . . 4.550 3.539 2.194 4.534 . 0 0 "[ . 1 . 2]" 1
1359 1 84 THR MG 1 85 LYS H . . 4.380 2.816 1.895 3.990 . 0 0 "[ . 1 . 2]" 1
1360 1 84 THR MG 1 85 LYS HA . . 4.640 3.815 3.380 4.194 . 0 0 "[ . 1 . 2]" 1
1361 1 84 THR MG 1 85 LYS QE . . 4.050 3.207 1.959 4.008 . 0 0 "[ . 1 . 2]" 1
1362 1 85 LYS H 1 85 LYS HB2 . . 3.860 2.660 2.346 2.879 . 0 0 "[ . 1 . 2]" 1
1363 1 85 LYS H 1 85 LYS QG . . 3.950 2.396 1.896 2.746 . 0 0 "[ . 1 . 2]" 1
1364 1 85 LYS H 1 88 GLN HB2 . . 4.830 2.959 2.349 3.316 . 0 0 "[ . 1 . 2]" 1
1365 1 85 LYS H 1 88 GLN HB3 . . 4.810 4.265 3.636 4.688 . 0 0 "[ . 1 . 2]" 1
1366 1 85 LYS H 1 88 GLN QG . . 4.220 3.357 2.370 4.013 . 0 0 "[ . 1 . 2]" 1
1367 1 85 LYS HA 1 85 LYS HD2 . . 4.530 3.817 2.122 4.536 0.006 17 0 "[ . 1 . 2]" 1
1368 1 85 LYS HA 1 85 LYS HD3 . . 4.530 3.500 2.252 4.530 . 3 0 "[ . 1 . 2]" 1
1369 1 85 LYS HA 1 85 LYS QG . . 3.740 2.735 2.414 3.206 . 0 0 "[ . 1 . 2]" 1
1370 1 85 LYS HB2 1 85 LYS QD . . 3.670 3.064 2.457 3.441 . 0 0 "[ . 1 . 2]" 1
1371 1 85 LYS HB2 1 87 ASP H . . 4.720 3.809 2.945 4.428 . 0 0 "[ . 1 . 2]" 1
1372 1 85 LYS HB2 1 87 ASP QB . . 4.560 4.070 3.332 4.537 . 0 0 "[ . 1 . 2]" 1
1373 1 85 LYS HB2 1 88 GLN H . . 3.960 2.477 2.090 2.745 . 0 0 "[ . 1 . 2]" 1
1374 1 85 LYS HB2 1 88 GLN HB2 . . 4.600 2.515 2.025 3.231 . 0 0 "[ . 1 . 2]" 1
1375 1 85 LYS HB2 1 88 GLN HB3 . . 4.750 3.960 3.571 4.573 . 0 0 "[ . 1 . 2]" 1
1376 1 85 LYS HB2 1 88 GLN QG . . 3.810 2.116 1.819 2.566 . 0 0 "[ . 1 . 2]" 1
1377 1 85 LYS HB3 1 85 LYS HD2 . . 4.070 2.671 2.084 3.524 . 0 0 "[ . 1 . 2]" 1
1378 1 85 LYS HB3 1 85 LYS QD . . 3.540 2.280 2.066 2.727 . 0 0 "[ . 1 . 2]" 1
1379 1 85 LYS HB3 1 85 LYS HD3 . . 4.070 2.790 2.118 3.727 . 0 0 "[ . 1 . 2]" 1
1380 1 85 LYS HB3 1 85 LYS QE . . 4.350 3.502 2.070 4.031 . 0 0 "[ . 1 . 2]" 1
1381 1 85 LYS HB3 1 87 ASP H . . 4.150 3.253 2.836 3.632 . 0 0 "[ . 1 . 2]" 1
1382 1 85 LYS HB3 1 87 ASP QB . . 4.780 3.775 3.127 4.473 . 0 0 "[ . 1 . 2]" 1
1383 1 85 LYS HB3 1 88 GLN H . . 4.220 3.277 2.696 4.023 . 0 0 "[ . 1 . 2]" 1
1384 1 85 LYS HB3 1 88 GLN QG . . 4.100 3.350 2.783 3.956 . 0 0 "[ . 1 . 2]" 1
1385 1 85 LYS HD2 1 88 GLN QG . . 4.790 4.025 2.328 4.792 0.002 10 0 "[ . 1 . 2]" 1
1386 1 85 LYS HD3 1 88 GLN QG . . 4.790 4.519 3.956 4.791 0.001 14 0 "[ . 1 . 2]" 1
1387 1 85 LYS QE 1 85 LYS QG . . 3.410 2.132 2.042 2.351 . 0 0 "[ . 1 . 2]" 1
1388 1 85 LYS QG 1 88 GLN H . . 4.610 4.258 3.761 4.551 . 0 0 "[ . 1 . 2]" 1
1389 1 85 LYS QG 1 88 GLN HB3 . . 5.150 4.766 4.352 5.099 . 0 0 "[ . 1 . 2]" 1
1390 1 85 LYS QG 1 88 GLN QG . . 4.220 2.652 2.084 3.221 . 0 0 "[ . 1 . 2]" 1
1391 1 86 LEU HA 1 86 LEU MD1 . . 3.640 2.330 1.971 2.597 . 0 0 "[ . 1 . 2]" 1
1392 1 86 LEU HA 1 86 LEU MD2 . . 3.480 2.208 1.977 2.492 . 0 0 "[ . 1 . 2]" 1
1393 1 86 LEU HA 1 89 LEU H . . 4.240 3.653 3.236 3.865 . 0 0 "[ . 1 . 2]" 1
1394 1 86 LEU HA 1 89 LEU HB2 . . 4.210 3.819 3.337 4.109 . 0 0 "[ . 1 . 2]" 1
1395 1 86 LEU HA 1 89 LEU HB3 . . 3.830 3.055 2.396 3.458 . 0 0 "[ . 1 . 2]" 1
1396 1 86 LEU HA 1 89 LEU MD1 . . 4.160 3.863 3.526 4.079 . 0 0 "[ . 1 . 2]" 1
1397 1 86 LEU HA 1 89 LEU MD2 . . 4.780 4.170 3.455 4.695 . 0 0 "[ . 1 . 2]" 1
1398 1 86 LEU HB2 1 86 LEU MD2 . . 3.640 2.286 2.077 2.574 . 0 0 "[ . 1 . 2]" 1
1399 1 86 LEU HB2 1 87 ASP H . . 4.270 3.351 2.414 3.820 . 0 0 "[ . 1 . 2]" 1
1400 1 86 LEU HB3 1 86 LEU MD1 . . 3.510 2.378 2.169 2.602 . 0 0 "[ . 1 . 2]" 1
1401 1 86 LEU HB3 1 87 ASP H . . 4.340 2.645 2.228 3.235 . 0 0 "[ . 1 . 2]" 1
1402 1 86 LEU MD1 1 87 ASP H . . 4.790 3.863 3.436 4.687 . 0 0 "[ . 1 . 2]" 1
1403 1 86 LEU MD1 1 89 LEU HB3 . . 4.570 3.026 2.587 3.705 . 0 0 "[ . 1 . 2]" 1
1404 1 86 LEU MD2 1 87 ASP H . . 4.750 4.608 4.132 4.753 0.003 10 0 "[ . 1 . 2]" 1
1405 1 86 LEU MD2 1 89 LEU HB3 . . 4.690 4.113 3.714 4.550 . 0 0 "[ . 1 . 2]" 1
1406 1 86 LEU MD2 1 89 LEU MD1 . . 3.990 3.648 3.212 3.990 0.000 18 0 "[ . 1 . 2]" 1
1407 1 87 ASP H 1 87 ASP HB2 . . 3.890 3.015 2.607 3.585 . 0 0 "[ . 1 . 2]" 1
1408 1 87 ASP H 1 87 ASP HB3 . . 3.890 2.621 2.233 3.541 . 0 0 "[ . 1 . 2]" 1
1409 1 87 ASP H 1 88 GLN H . . 3.920 2.805 2.591 2.991 . 0 0 "[ . 1 . 2]" 1
1410 1 87 ASP HA 1 90 ILE H . . 4.550 3.265 3.050 3.718 . 0 0 "[ . 1 . 2]" 1
1411 1 87 ASP HA 1 90 ILE HG12 . . 4.650 3.057 2.438 3.777 . 0 0 "[ . 1 . 2]" 1
1412 1 87 ASP HA 1 90 ILE MG . . 4.410 4.246 4.067 4.409 . 0 0 "[ . 1 . 2]" 1
1413 1 87 ASP QB 1 88 GLN H . . 4.020 2.687 2.207 3.419 . 0 0 "[ . 1 . 2]" 1
1414 1 87 ASP QB 1 88 GLN HA . . 4.590 4.193 3.690 4.578 . 0 0 "[ . 1 . 2]" 1
1415 1 87 ASP QB 1 88 GLN QG . . 4.320 3.728 3.125 4.322 0.002 10 0 "[ . 1 . 2]" 1
1416 1 88 GLN H 1 88 GLN HB2 . . 3.730 2.452 2.275 2.648 . 0 0 "[ . 1 . 2]" 1
1417 1 88 GLN H 1 88 GLN HB3 . . 3.890 3.585 3.547 3.611 . 0 0 "[ . 1 . 2]" 1
1418 1 88 GLN H 1 88 GLN QG . . 3.470 2.303 1.930 2.692 . 0 0 "[ . 1 . 2]" 1
1419 1 88 GLN HA 1 88 GLN QG . . 3.280 2.634 2.173 2.890 . 0 0 "[ . 1 . 2]" 1
1420 1 88 GLN HA 1 91 GLU H . . 4.160 3.956 3.595 4.153 . 0 0 "[ . 1 . 2]" 1
1421 1 88 GLN HA 1 92 PHE H . . 4.830 4.494 4.129 4.786 . 0 0 "[ . 1 . 2]" 1
1422 1 88 GLN HB2 1 89 LEU H . . 4.220 2.919 2.336 3.327 . 0 0 "[ . 1 . 2]" 1
1423 1 88 GLN HB3 1 89 LEU H . . 4.500 3.738 3.264 4.080 . 0 0 "[ . 1 . 2]" 1
1424 1 89 LEU H 1 89 LEU HB2 . . 3.770 2.746 2.512 2.964 . 0 0 "[ . 1 . 2]" 1
1425 1 89 LEU H 1 89 LEU HB3 . . 3.710 2.368 2.269 2.526 . 0 0 "[ . 1 . 2]" 1
1426 1 89 LEU H 1 89 LEU MD1 . . 4.440 4.305 4.207 4.428 . 0 0 "[ . 1 . 2]" 1
1427 1 89 LEU H 1 89 LEU MD2 . . 4.190 3.849 3.636 4.113 . 0 0 "[ . 1 . 2]" 1
1428 1 89 LEU H 1 90 ILE H . . 3.890 2.518 2.175 3.002 . 0 0 "[ . 1 . 2]" 1
1429 1 89 LEU H 1 92 PHE H . . 5.060 4.854 4.612 5.021 . 0 0 "[ . 1 . 2]" 1
1430 1 89 LEU HA 1 89 LEU MD1 . . 4.120 3.614 3.563 3.689 . 0 0 "[ . 1 . 2]" 1
1431 1 89 LEU HA 1 89 LEU MD2 . . 4.290 3.453 3.337 3.525 . 0 0 "[ . 1 . 2]" 1
1432 1 89 LEU HA 1 89 LEU HG . . 3.730 2.619 2.494 2.713 . 0 0 "[ . 1 . 2]" 1
1433 1 89 LEU HA 1 92 PHE H . . 4.270 3.676 3.236 4.031 . 0 0 "[ . 1 . 2]" 1
1434 1 89 LEU HA 1 92 PHE HB2 . . 4.410 3.814 3.143 4.242 . 0 0 "[ . 1 . 2]" 1
1435 1 89 LEU HA 1 92 PHE HB3 . . 4.280 2.974 2.411 3.445 . 0 0 "[ . 1 . 2]" 1
1436 1 89 LEU HA 1 92 PHE QD . . 4.850 4.404 3.583 4.851 0.001 9 0 "[ . 1 . 2]" 1
1437 1 89 LEU HB2 1 89 LEU MD1 . . 3.490 2.141 1.996 2.227 . 0 0 "[ . 1 . 2]" 1
1438 1 89 LEU HB2 1 89 LEU MD2 . . 3.630 3.133 3.118 3.143 . 0 0 "[ . 1 . 2]" 1
1439 1 89 LEU HB2 1 90 ILE H . . 4.290 3.926 3.654 4.130 . 0 0 "[ . 1 . 2]" 1
1440 1 89 LEU HB3 1 89 LEU MD1 . . 3.630 2.599 2.518 2.686 . 0 0 "[ . 1 . 2]" 1
1441 1 89 LEU HB3 1 89 LEU MD2 . . 3.560 2.119 2.019 2.224 . 0 0 "[ . 1 . 2]" 1
1442 1 89 LEU HB3 1 90 ILE H . . 3.980 2.587 2.201 2.920 . 0 0 "[ . 1 . 2]" 1
1443 1 89 LEU HB3 1 90 ILE MD . . 4.590 3.788 3.142 4.205 . 0 0 "[ . 1 . 2]" 1
1444 1 89 LEU MD1 1 93 TYR QE . . 3.790 3.254 2.381 3.782 . 0 0 "[ . 1 . 2]" 1
1445 1 89 LEU MD2 1 90 ILE H . . 4.120 2.672 2.418 2.995 . 0 0 "[ . 1 . 2]" 1
1446 1 89 LEU MD2 1 90 ILE HA . . 3.760 2.505 2.193 2.687 . 0 0 "[ . 1 . 2]" 1
1447 1 89 LEU MD2 1 90 ILE HB . . 4.410 4.251 3.986 4.407 . 0 0 "[ . 1 . 2]" 1
1448 1 89 LEU MD2 1 90 ILE MD . . 3.200 2.127 1.757 2.522 . 0 0 "[ . 1 . 2]" 1
1449 1 89 LEU MD2 1 90 ILE HG13 . . 4.870 4.060 3.645 4.420 . 0 0 "[ . 1 . 2]" 1
1450 1 89 LEU MD2 1 90 ILE MG . . 4.420 3.959 3.733 4.137 . 0 0 "[ . 1 . 2]" 1
1451 1 89 LEU MD2 1 93 TYR HB2 . . 4.540 3.321 2.943 3.668 . 0 0 "[ . 1 . 2]" 1
1452 1 89 LEU MD2 1 93 TYR QD . . 3.430 2.750 2.023 3.310 . 0 0 "[ . 1 . 2]" 1
1453 1 89 LEU MD2 1 93 TYR QE . . 3.810 3.220 2.502 3.748 . 0 0 "[ . 1 . 2]" 1
1454 1 89 LEU MD2 1 100 LEU MD2 . . 5.500 5.015 4.611 5.488 . 0 0 "[ . 1 . 2]" 1
1455 1 89 LEU HG 1 93 TYR QD . . 3.980 3.005 2.179 3.933 . 0 0 "[ . 1 . 2]" 1
1456 1 89 LEU HG 1 93 TYR QE . . 3.500 2.674 2.096 3.353 . 0 0 "[ . 1 . 2]" 1
1457 1 90 ILE H 1 90 ILE HB . . 3.460 2.568 2.440 2.677 . 0 0 "[ . 1 . 2]" 1
1458 1 90 ILE H 1 90 ILE MD . . 3.910 3.206 2.594 3.514 . 0 0 "[ . 1 . 2]" 1
1459 1 90 ILE H 1 90 ILE HG12 . . 3.620 2.081 1.900 2.320 . 0 0 "[ . 1 . 2]" 1
1460 1 90 ILE H 1 90 ILE HG13 . . 4.110 3.551 3.381 3.681 . 0 0 "[ . 1 . 2]" 1
1461 1 90 ILE H 1 90 ILE MG . . 3.840 3.764 3.748 3.770 . 0 0 "[ . 1 . 2]" 1
1462 1 90 ILE H 1 91 GLU H . . 3.970 2.811 2.542 3.049 . 0 0 "[ . 1 . 2]" 1
1463 1 90 ILE H 1 93 TYR HB2 . . 5.500 5.100 4.807 5.435 . 0 0 "[ . 1 . 2]" 1
1464 1 90 ILE HA 1 90 ILE MD . . 3.130 2.032 1.970 2.145 . 0 0 "[ . 1 . 2]" 1
1465 1 90 ILE HA 1 90 ILE HG12 . . 3.910 3.037 2.884 3.251 . 0 0 "[ . 1 . 2]" 1
1466 1 90 ILE HA 1 90 ILE MG . . 3.470 2.404 2.293 2.466 . 0 0 "[ . 1 . 2]" 1
1467 1 90 ILE HA 1 93 TYR H . . 4.880 3.343 3.058 3.670 . 0 0 "[ . 1 . 2]" 1
1468 1 90 ILE HA 1 93 TYR HB2 . . 4.360 2.680 2.230 3.114 . 0 0 "[ . 1 . 2]" 1
1469 1 90 ILE HA 1 93 TYR QD . . 4.690 3.801 2.754 4.274 . 0 0 "[ . 1 . 2]" 1
1470 1 90 ILE HA 1 94 LYS QE . . 5.340 5.023 4.399 5.338 . 0 0 "[ . 1 . 2]" 1
1471 1 90 ILE HA 1 104 LEU MD1 . . 3.760 3.133 2.678 3.436 . 0 0 "[ . 1 . 2]" 1
1472 1 90 ILE HB 1 91 GLU H . . 3.870 2.355 2.054 2.757 . 0 0 "[ . 1 . 2]" 1
1473 1 90 ILE HB 1 104 LEU MD1 . . 4.540 4.211 4.012 4.501 . 0 0 "[ . 1 . 2]" 1
1474 1 90 ILE MD 1 93 TYR HB2 . . 4.580 3.735 3.169 4.172 . 0 0 "[ . 1 . 2]" 1
1475 1 90 ILE HG13 1 90 ILE MG . . 3.550 2.401 2.234 2.542 . 0 0 "[ . 1 . 2]" 1
1476 1 90 ILE HG13 1 104 LEU MD1 . . 4.800 4.486 4.151 4.714 . 0 0 "[ . 1 . 2]" 1
1477 1 90 ILE MG 1 91 GLU H . . 3.800 3.251 2.930 3.561 . 0 0 "[ . 1 . 2]" 1
1478 1 90 ILE MG 1 91 GLU HA . . 4.100 3.412 3.128 3.571 . 0 0 "[ . 1 . 2]" 1
1479 1 90 ILE MG 1 91 GLU QG . . 5.040 4.122 3.135 4.907 . 0 0 "[ . 1 . 2]" 1
1480 1 90 ILE MG 1 93 TYR HB2 . . 5.350 3.807 3.342 4.488 . 0 0 "[ . 1 . 2]" 1
1481 1 90 ILE MG 1 94 LYS QD . . 4.580 3.851 3.036 4.438 . 0 0 "[ . 1 . 2]" 1
1482 1 90 ILE MG 1 94 LYS HE2 . . 4.050 3.079 2.261 3.994 . 0 0 "[ . 1 . 2]" 1
1483 1 90 ILE MG 1 94 LYS QE . . 3.420 2.493 2.233 2.804 . 0 0 "[ . 1 . 2]" 1
1484 1 90 ILE MG 1 94 LYS HE3 . . 4.050 2.958 2.256 3.959 . 0 0 "[ . 1 . 2]" 1
1485 1 90 ILE MG 1 94 LYS HG2 . . 4.660 3.348 2.695 4.152 . 0 0 "[ . 1 . 2]" 1
1486 1 90 ILE MG 1 94 LYS QG . . 3.950 2.847 2.022 3.530 . 0 0 "[ . 1 . 2]" 1
1487 1 90 ILE MG 1 94 LYS HG3 . . 4.660 3.287 2.080 4.615 . 0 0 "[ . 1 . 2]" 1
1488 1 90 ILE MG 1 104 LEU MD2 . . 4.120 3.680 3.223 4.112 . 0 0 "[ . 1 . 2]" 1
1489 1 90 ILE MG 1 104 LEU HG . . 5.270 4.170 3.931 4.501 . 0 0 "[ . 1 . 2]" 1
1490 1 91 GLU H 1 91 GLU HB2 . . 3.750 2.457 2.147 3.596 . 0 0 "[ . 1 . 2]" 1
1491 1 91 GLU H 1 91 GLU QB . . 3.160 2.321 2.108 2.591 . 0 0 "[ . 1 . 2]" 1
1492 1 91 GLU H 1 91 GLU HB3 . . 3.750 3.360 2.571 3.602 . 0 0 "[ . 1 . 2]" 1
1493 1 91 GLU H 1 91 GLU HG2 . . 4.370 3.441 2.061 4.349 . 0 0 "[ . 1 . 2]" 1
1494 1 91 GLU H 1 91 GLU QG . . 3.590 2.724 1.884 3.682 0.092 9 0 "[ . 1 . 2]" 1
1495 1 91 GLU H 1 91 GLU HG3 . . 4.370 3.141 1.898 4.318 . 0 0 "[ . 1 . 2]" 1
1496 1 91 GLU HA 1 91 GLU HG2 . . 4.140 2.682 2.160 4.180 0.040 7 0 "[ . 1 . 2]" 1
1497 1 91 GLU HA 1 91 GLU QG . . 3.610 2.458 2.140 3.388 . 0 0 "[ . 1 . 2]" 1
1498 1 91 GLU HA 1 91 GLU HG3 . . 4.140 3.175 2.359 3.802 . 0 0 "[ . 1 . 2]" 1
1499 1 91 GLU HA 1 94 LYS H . . 4.580 3.907 3.322 4.536 . 0 0 "[ . 1 . 2]" 1
1500 1 91 GLU HA 1 94 LYS HB2 . . 4.900 3.416 2.600 3.997 . 0 0 "[ . 1 . 2]" 1
1501 1 91 GLU HA 1 94 LYS QD . . 3.630 2.884 2.071 3.651 0.021 17 0 "[ . 1 . 2]" 1
1502 1 91 GLU HA 1 94 LYS HE2 . . 4.480 3.605 2.109 4.393 . 0 0 "[ . 1 . 2]" 1
1503 1 91 GLU HA 1 94 LYS QE . . 3.750 2.528 1.960 3.572 . 0 0 "[ . 1 . 2]" 1
1504 1 91 GLU HA 1 94 LYS HE3 . . 4.480 2.693 1.998 4.234 . 0 0 "[ . 1 . 2]" 1
1505 1 91 GLU HA 1 94 LYS HG2 . . 4.280 3.336 1.991 4.170 . 0 0 "[ . 1 . 2]" 1
1506 1 91 GLU HA 1 94 LYS HG3 . . 4.280 2.256 2.002 2.662 . 0 0 "[ . 1 . 2]" 1
1507 1 91 GLU HA 1 104 LEU MD1 . . 5.000 4.301 3.788 4.881 . 0 0 "[ . 1 . 2]" 1
1508 1 91 GLU QB 1 92 PHE H . . 3.490 2.749 2.290 3.431 . 0 0 "[ . 1 . 2]" 1
1509 1 91 GLU QB 1 92 PHE HA . . 4.480 3.924 3.788 4.260 . 0 0 "[ . 1 . 2]" 1
1510 1 91 GLU HB2 1 92 PHE H . . 4.080 3.054 2.327 3.702 . 0 0 "[ . 1 . 2]" 1
1511 1 91 GLU HB3 1 92 PHE H . . 4.080 3.426 2.785 4.054 . 0 0 "[ . 1 . 2]" 1
1512 1 92 PHE H 1 92 PHE HB2 . . 3.430 2.672 2.449 2.876 . 0 0 "[ . 1 . 2]" 1
1513 1 92 PHE H 1 92 PHE HB3 . . 3.500 2.440 2.236 2.653 . 0 0 "[ . 1 . 2]" 1
1514 1 92 PHE H 1 92 PHE QD . . 4.310 4.152 4.044 4.219 . 0 0 "[ . 1 . 2]" 1
1515 1 92 PHE HA 1 92 PHE QD . . 3.590 2.883 2.453 3.236 . 0 0 "[ . 1 . 2]" 1
1516 1 92 PHE HB2 1 93 TYR H . . 4.210 3.992 3.655 4.190 . 0 0 "[ . 1 . 2]" 1
1517 1 92 PHE HB2 1 93 TYR QD . . 5.410 4.636 3.949 5.413 0.003 20 0 "[ . 1 . 2]" 1
1518 1 92 PHE HB3 1 93 TYR H . . 3.900 2.756 2.188 3.199 . 0 0 "[ . 1 . 2]" 1
1519 1 92 PHE HB3 1 93 TYR QD . . 4.690 2.938 2.216 3.727 . 0 0 "[ . 1 . 2]" 1
1520 1 92 PHE QD 1 93 TYR H . . 4.070 3.450 2.836 4.073 0.003 15 0 "[ . 1 . 2]" 1
1521 1 92 PHE QD 1 93 TYR HA . . 4.700 3.385 2.769 4.020 . 0 0 "[ . 1 . 2]" 1
1522 1 92 PHE QD 1 93 TYR HB2 . . 5.310 4.523 3.733 5.179 . 0 0 "[ . 1 . 2]" 1
1523 1 92 PHE QD 1 93 TYR QD . . 4.520 2.505 2.027 3.367 . 0 0 "[ . 1 . 2]" 1
1524 1 92 PHE QD 1 93 TYR QE . . 4.230 3.051 2.225 3.782 . 0 0 "[ . 1 . 2]" 1
1525 1 92 PHE QE 1 93 TYR QE . . 4.460 3.876 3.039 4.448 . 0 0 "[ . 1 . 2]" 1
1526 1 93 TYR H 1 93 TYR HB2 . . 3.580 2.268 2.179 2.348 . 0 0 "[ . 1 . 2]" 1
1527 1 93 TYR H 1 93 TYR HB3 . . 3.940 3.538 3.486 3.596 . 0 0 "[ . 1 . 2]" 1
1528 1 93 TYR H 1 93 TYR QD . . 3.800 2.583 1.923 3.134 . 0 0 "[ . 1 . 2]" 1
1529 1 93 TYR H 1 104 LEU MD1 . . 4.500 4.064 3.659 4.362 . 0 0 "[ . 1 . 2]" 1
1530 1 93 TYR HA 1 93 TYR QD . . 3.460 2.777 2.335 3.101 . 0 0 "[ . 1 . 2]" 1
1531 1 93 TYR HA 1 93 TYR QE . . 4.770 4.462 4.316 4.635 . 0 0 "[ . 1 . 2]" 1
1532 1 93 TYR HA 1 95 LYS H . . 3.980 3.577 3.063 3.947 . 0 0 "[ . 1 . 2]" 1
1533 1 93 TYR HA 1 100 LEU MD1 . . 4.660 4.520 4.051 4.661 0.001 13 0 "[ . 1 . 2]" 1
1534 1 93 TYR HB2 1 100 LEU MD1 . . 4.120 3.614 2.885 4.102 . 0 0 "[ . 1 . 2]" 1
1535 1 93 TYR HB2 1 104 LEU MD1 . . 3.840 2.996 2.637 3.238 . 0 0 "[ . 1 . 2]" 1
1536 1 93 TYR HB2 1 104 LEU MD2 . . 4.930 4.548 4.172 4.828 . 0 0 "[ . 1 . 2]" 1
1537 1 93 TYR HB2 1 104 LEU HG . . 4.660 4.253 3.524 4.647 . 0 0 "[ . 1 . 2]" 1
1538 1 93 TYR HB3 1 94 LYS H . . 4.780 3.998 3.248 4.407 . 0 0 "[ . 1 . 2]" 1
1539 1 93 TYR HB3 1 100 LEU MD1 . . 3.810 2.527 2.091 2.847 . 0 0 "[ . 1 . 2]" 1
1540 1 93 TYR HB3 1 104 LEU MD1 . . 3.930 3.218 2.861 3.715 . 0 0 "[ . 1 . 2]" 1
1541 1 93 TYR HB3 1 104 LEU MD2 . . 4.410 3.895 3.268 4.325 . 0 0 "[ . 1 . 2]" 1
1542 1 93 TYR HB3 1 104 LEU HG . . 4.090 3.514 2.574 3.967 . 0 0 "[ . 1 . 2]" 1
1543 1 93 TYR QD 1 100 LEU MD1 . . 3.860 2.451 1.940 3.258 . 0 0 "[ . 1 . 2]" 1
1544 1 93 TYR QD 1 100 LEU MD2 . . 4.450 3.173 2.055 4.294 . 0 0 "[ . 1 . 2]" 1
1545 1 93 TYR QD 1 100 LEU HG . . 3.940 2.517 2.000 3.889 . 0 0 "[ . 1 . 2]" 1
1546 1 93 TYR QD 1 104 LEU MD1 . . 4.740 4.429 3.964 4.729 . 0 0 "[ . 1 . 2]" 1
1547 1 93 TYR QE 1 100 LEU MD1 . . 4.350 3.864 2.871 4.349 . 0 0 "[ . 1 . 2]" 1
1548 1 93 TYR QE 1 100 LEU MD2 . . 4.130 3.063 2.117 3.883 . 0 0 "[ . 1 . 2]" 1
1549 1 93 TYR QE 1 100 LEU HG . . 4.190 3.506 2.081 4.185 . 0 0 "[ . 1 . 2]" 1
1550 1 94 LYS H 1 94 LYS HB2 . . 3.470 2.411 2.237 2.671 . 0 0 "[ . 1 . 2]" 1
1551 1 94 LYS H 1 94 LYS HB3 . . 3.780 3.591 3.523 3.669 . 0 0 "[ . 1 . 2]" 1
1552 1 94 LYS H 1 94 LYS QD . . 4.430 4.135 3.381 4.449 0.019 15 0 "[ . 1 . 2]" 1
1553 1 94 LYS H 1 94 LYS HG2 . . 4.140 3.283 1.907 4.117 . 0 0 "[ . 1 . 2]" 1
1554 1 94 LYS H 1 94 LYS HG3 . . 4.140 2.992 2.043 4.053 . 0 0 "[ . 1 . 2]" 1
1555 1 94 LYS H 1 95 LYS H . . 3.430 2.544 1.954 2.983 . 0 0 "[ . 1 . 2]" 1
1556 1 94 LYS H 1 95 LYS QB . . 4.800 4.295 3.701 4.748 . 0 0 "[ . 1 . 2]" 1
1557 1 94 LYS H 1 104 LEU MD1 . . 4.530 3.647 2.473 4.537 0.007 17 0 "[ . 1 . 2]" 1
1558 1 94 LYS HA 1 94 LYS QD . . 4.630 3.390 2.030 4.009 . 0 0 "[ . 1 . 2]" 1
1559 1 94 LYS HA 1 94 LYS QG . . 3.740 2.400 2.203 2.838 . 0 0 "[ . 1 . 2]" 1
1560 1 94 LYS HA 1 104 LEU H . . 3.930 2.943 2.451 3.346 . 0 0 "[ . 1 . 2]" 1
1561 1 94 LYS HA 1 104 LEU HB2 . . 4.430 2.510 2.003 3.344 . 0 0 "[ . 1 . 2]" 1
1562 1 94 LYS HA 1 104 LEU MD1 . . 4.650 2.965 2.120 3.522 . 0 0 "[ . 1 . 2]" 1
1563 1 94 LYS HB2 1 94 LYS QD . . 3.780 2.757 2.299 3.306 . 0 0 "[ . 1 . 2]" 1
1564 1 94 LYS HB2 1 95 LYS H . . 4.130 3.056 2.634 3.870 . 0 0 "[ . 1 . 2]" 1
1565 1 94 LYS HB3 1 94 LYS QD . . 3.620 2.264 2.086 2.468 . 0 0 "[ . 1 . 2]" 1
1566 1 94 LYS HB3 1 94 LYS QE . . 4.620 3.908 3.687 4.163 . 0 0 "[ . 1 . 2]" 1
1567 1 94 LYS HB3 1 95 LYS H . . 4.250 3.811 3.481 4.242 . 0 0 "[ . 1 . 2]" 1
1568 1 94 LYS HB3 1 95 LYS HA . . 4.750 4.394 4.170 4.638 . 0 0 "[ . 1 . 2]" 1
1569 1 94 LYS QD 1 104 LEU HB3 . . 5.110 4.295 2.800 5.108 . 0 0 "[ . 1 . 2]" 1
1570 1 94 LYS QE 1 94 LYS QG . . 3.180 2.133 2.026 2.472 . 0 0 "[ . 1 . 2]" 1
1571 1 94 LYS QG 1 104 LEU HB2 . . 4.070 2.643 1.988 4.014 . 0 0 "[ . 1 . 2]" 1
1572 1 94 LYS QG 1 104 LEU MD1 . . 4.800 2.456 1.706 3.328 . 0 0 "[ . 1 . 2]" 1
1573 1 94 LYS HG2 1 104 LEU HB2 . . 4.770 2.705 2.001 4.322 . 0 0 "[ . 1 . 2]" 1
1574 1 94 LYS HG3 1 104 LEU HB2 . . 4.770 4.064 3.234 4.778 0.008 16 0 "[ . 1 . 2]" 1
1575 1 95 LYS H 1 95 LYS QB . . 3.160 2.212 2.114 2.363 . 0 0 "[ . 1 . 2]" 1
1576 1 95 LYS H 1 95 LYS QD . . 4.550 3.903 2.314 4.545 . 0 0 "[ . 1 . 2]" 1
1577 1 95 LYS H 1 95 LYS HG2 . . 5.200 3.929 2.637 4.725 . 0 0 "[ . 1 . 2]" 1
1578 1 95 LYS H 1 95 LYS QG . . 4.470 3.226 2.579 4.100 . 0 0 "[ . 1 . 2]" 1
1579 1 95 LYS H 1 95 LYS HG3 . . 5.200 3.645 2.653 4.499 . 0 0 "[ . 1 . 2]" 1
1580 1 95 LYS HA 1 95 LYS HD2 . . 4.730 3.794 2.434 4.642 . 0 0 "[ . 1 . 2]" 1
1581 1 95 LYS HA 1 95 LYS HD3 . . 4.730 3.495 2.012 4.628 . 0 0 "[ . 1 . 2]" 1
1582 1 95 LYS HA 1 95 LYS HG2 . . 3.940 2.840 2.197 3.746 . 0 0 "[ . 1 . 2]" 1
1583 1 95 LYS HA 1 95 LYS HG3 . . 3.940 2.907 2.239 3.667 . 0 0 "[ . 1 . 2]" 1
1584 1 95 LYS HA 1 96 GLU H . . 2.990 2.325 2.142 2.609 . 0 0 "[ . 1 . 2]" 1
1585 1 95 LYS HA 1 96 GLU HA . . 4.700 4.350 4.293 4.458 . 0 0 "[ . 1 . 2]" 1
1586 1 95 LYS QB 1 95 LYS QD . . 3.210 2.219 2.075 2.452 . 0 0 "[ . 1 . 2]" 1
1587 1 95 LYS QB 1 96 GLU H . . 3.980 2.859 2.029 3.857 . 0 0 "[ . 1 . 2]" 1
1588 1 95 LYS QG 1 96 GLU H . . 4.160 3.317 2.276 4.078 . 0 0 "[ . 1 . 2]" 1
1589 1 95 LYS HG2 1 96 GLU H . . 4.780 3.896 2.926 4.735 . 0 0 "[ . 1 . 2]" 1
1590 1 95 LYS HG3 1 96 GLU H . . 4.780 4.022 2.289 4.761 . 0 0 "[ . 1 . 2]" 1
1591 1 96 GLU H 1 96 GLU HB2 . . 3.760 3.560 2.162 3.775 0.015 17 0 "[ . 1 . 2]" 1
1592 1 96 GLU H 1 96 GLU HB3 . . 3.760 2.681 2.313 3.474 . 0 0 "[ . 1 . 2]" 1
1593 1 96 GLU H 1 96 GLU HG2 . . 3.980 2.556 1.972 4.024 0.044 18 0 "[ . 1 . 2]" 1
1594 1 96 GLU H 1 96 GLU QG . . 3.380 2.357 1.896 3.312 . 0 0 "[ . 1 . 2]" 1
1595 1 96 GLU H 1 96 GLU HG3 . . 3.980 3.299 1.906 3.981 0.001 8 0 "[ . 1 . 2]" 1
1596 1 96 GLU H 1 97 ASN H . . 4.570 3.191 1.890 4.626 0.056 12 0 "[ . 1 . 2]" 1
1597 1 96 GLU HA 1 103 HIS H . . 4.490 4.114 2.816 4.491 0.001 20 0 "[ . 1 . 2]" 1
1598 1 96 GLU HA 1 103 HIS HB2 . . 3.990 3.282 2.492 3.989 . 0 0 "[ . 1 . 2]" 1
1599 1 96 GLU HA 1 103 HIS HB3 . . 3.990 2.167 2.005 2.709 . 0 0 "[ . 1 . 2]" 1
1600 1 96 GLU QB 1 97 ASN H . . 3.860 3.238 2.115 3.915 0.055 16 0 "[ . 1 . 2]" 1
1601 1 96 GLU HB2 1 97 ASN H . . 4.500 3.559 2.129 4.409 . 0 0 "[ . 1 . 2]" 1
1602 1 96 GLU HB3 1 97 ASN H . . 4.500 3.975 3.179 4.440 . 0 0 "[ . 1 . 2]" 1
1603 1 96 GLU QG 1 97 ASN H . . 4.020 2.701 1.802 3.877 . 0 0 "[ . 1 . 2]" 1
1604 1 96 GLU QG 1 97 ASN QB . . 4.510 3.791 2.183 4.589 0.079 18 0 "[ . 1 . 2]" 1
1605 1 96 GLU QG 1 97 ASN QD . . 4.820 3.977 2.840 4.709 . 0 0 "[ . 1 . 2]" 1
1606 1 96 GLU QG 1 98 MET H . . 5.230 4.604 2.742 5.251 0.021 18 0 "[ . 1 . 2]" 1
1607 1 96 GLU QG 1 103 HIS QB . . 4.760 4.184 3.412 4.760 0.000 8 0 "[ . 1 . 2]" 1
1608 1 96 GLU HG2 1 97 ASN H . . 4.570 3.297 1.988 4.572 0.002 8 0 "[ . 1 . 2]" 1
1609 1 96 GLU HG3 1 97 ASN H . . 4.570 3.076 1.921 4.573 0.003 18 0 "[ . 1 . 2]" 1
1610 1 97 ASN H 1 97 ASN HB2 . . 4.180 2.736 2.217 3.737 . 0 0 "[ . 1 . 2]" 1
1611 1 97 ASN H 1 97 ASN HB3 . . 4.180 3.366 2.679 3.784 . 0 0 "[ . 1 . 2]" 1
1612 1 97 ASN H 1 98 MET H . . 4.010 3.311 2.363 4.141 0.131 20 0 "[ . 1 . 2]" 1
1613 1 98 MET H 1 98 MET QB . . 3.620 2.593 2.132 3.366 . 0 0 "[ . 1 . 2]" 1
1614 1 98 MET H 1 99 GLY H . . 3.870 3.319 2.319 3.869 . 0 0 "[ . 1 . 2]" 1
1615 1 100 LEU H 1 100 LEU HB2 . . 3.780 2.602 2.330 2.947 . 0 0 "[ . 1 . 2]" 1
1616 1 100 LEU H 1 100 LEU HB3 . . 4.010 3.666 3.560 3.923 . 0 0 "[ . 1 . 2]" 1
1617 1 100 LEU H 1 100 LEU MD1 . . 4.280 3.567 3.170 4.271 . 0 0 "[ . 1 . 2]" 1
1618 1 100 LEU H 1 100 LEU MD2 . . 4.120 3.620 2.867 4.122 0.002 16 0 "[ . 1 . 2]" 1
1619 1 100 LEU H 1 100 LEU HG . . 3.600 2.457 2.014 3.348 . 0 0 "[ . 1 . 2]" 1
1620 1 100 LEU HA 1 100 LEU MD1 . . 4.050 3.916 3.792 4.017 . 0 0 "[ . 1 . 2]" 1
1621 1 100 LEU HA 1 100 LEU MD2 . . 3.240 2.289 1.970 2.707 . 0 0 "[ . 1 . 2]" 1
1622 1 100 LEU HA 1 100 LEU HG . . 4.260 3.019 2.779 3.283 . 0 0 "[ . 1 . 2]" 1
1623 1 100 LEU HA 1 101 VAL MG1 . . 4.670 4.179 3.843 4.422 . 0 0 "[ . 1 . 2]" 1
1624 1 100 LEU HA 1 102 THR H . . 4.630 4.389 4.080 4.630 . 1 0 "[ . 1 . 2]" 1
1625 1 100 LEU HB2 1 100 LEU MD1 . . 3.470 2.197 1.987 2.451 . 0 0 "[ . 1 . 2]" 1
1626 1 100 LEU HB2 1 101 VAL H . . 4.060 3.325 2.928 3.983 . 0 0 "[ . 1 . 2]" 1
1627 1 100 LEU HB2 1 102 THR H . . 3.790 3.061 2.581 3.706 . 0 0 "[ . 1 . 2]" 1
1628 1 100 LEU HB3 1 100 LEU MD1 . . 3.670 2.507 2.220 2.684 . 0 0 "[ . 1 . 2]" 1
1629 1 100 LEU HB3 1 100 LEU MD2 . . 3.330 2.218 2.026 2.360 . 0 0 "[ . 1 . 2]" 1
1630 1 100 LEU HB3 1 101 VAL H . . 3.690 2.229 1.944 2.734 . 0 0 "[ . 1 . 2]" 1
1631 1 100 LEU HB3 1 101 VAL HA . . 4.850 4.711 4.489 4.851 0.001 18 0 "[ . 1 . 2]" 1
1632 1 100 LEU HB3 1 101 VAL HB . . 5.500 4.614 4.336 5.077 . 0 0 "[ . 1 . 2]" 1
1633 1 100 LEU HB3 1 102 THR H . . 4.270 3.162 2.687 3.763 . 0 0 "[ . 1 . 2]" 1
1634 1 100 LEU MD1 1 102 THR H . . 4.740 4.255 3.957 4.610 . 0 0 "[ . 1 . 2]" 1
1635 1 100 LEU MD2 1 101 VAL H . . 4.410 3.325 2.821 3.758 . 0 0 "[ . 1 . 2]" 1
1636 1 101 VAL H 1 101 VAL HB . . 3.630 2.579 2.448 2.791 . 0 0 "[ . 1 . 2]" 1
1637 1 101 VAL H 1 101 VAL MG1 . . 3.370 2.109 1.890 2.363 . 0 0 "[ . 1 . 2]" 1
1638 1 101 VAL H 1 102 THR H . . 3.810 2.849 2.544 3.095 . 0 0 "[ . 1 . 2]" 1
1639 1 101 VAL HA 1 101 VAL MG1 . . 3.460 3.189 3.168 3.204 . 0 0 "[ . 1 . 2]" 1
1640 1 101 VAL HA 1 101 VAL MG2 . . 3.070 2.360 2.156 2.450 . 0 0 "[ . 1 . 2]" 1
1641 1 101 VAL HB 1 102 THR H . . 4.400 3.974 3.726 4.208 . 0 0 "[ . 1 . 2]" 1
1642 1 101 VAL MG1 1 102 THR H . . 3.310 1.983 1.799 2.204 . 0 0 "[ . 1 . 2]" 1
1643 1 101 VAL MG1 1 102 THR HB . . 4.300 3.107 2.411 3.619 . 0 0 "[ . 1 . 2]" 1
1644 1 101 VAL MG1 1 102 THR MG . . 3.600 2.223 1.906 2.639 . 0 0 "[ . 1 . 2]" 1
1645 1 101 VAL MG2 1 102 THR HA . . 4.480 4.094 3.756 4.333 . 0 0 "[ . 1 . 2]" 1
1646 1 101 VAL MG2 1 102 THR MG . . 4.490 3.276 2.560 3.954 . 0 0 "[ . 1 . 2]" 1
1647 1 102 THR H 1 102 THR MG . . 2.990 2.462 2.144 2.761 . 0 0 "[ . 1 . 2]" 1
1648 1 102 THR H 1 103 HIS H . . 5.190 4.301 4.145 4.446 . 0 0 "[ . 1 . 2]" 1
1649 1 102 THR HA 1 102 THR MG . . 3.670 3.190 3.171 3.206 . 0 0 "[ . 1 . 2]" 1
1650 1 102 THR HA 1 103 HIS H . . 3.260 2.240 2.147 2.452 . 0 0 "[ . 1 . 2]" 1
1651 1 102 THR HB 1 103 HIS H . . 4.470 4.059 3.687 4.392 . 0 0 "[ . 1 . 2]" 1
1652 1 102 THR MG 1 103 HIS H . . 3.960 3.657 3.315 3.953 . 0 0 "[ . 1 . 2]" 1
1653 1 103 HIS H 1 103 HIS QB . . 3.570 2.539 2.284 2.871 . 0 0 "[ . 1 . 2]" 1
1654 1 103 HIS H 1 103 HIS HD2 . . 5.390 3.349 1.989 5.133 . 0 0 "[ . 1 . 2]" 1
1655 1 103 HIS QB 1 103 HIS HD2 . . 3.440 2.768 2.626 3.299 . 0 0 "[ . 1 . 2]" 1
1656 1 103 HIS QB 1 104 LEU H . . 3.820 3.155 2.316 3.496 . 0 0 "[ . 1 . 2]" 1
1657 1 103 HIS HB2 1 104 LEU H . . 4.340 3.270 2.344 3.696 . 0 0 "[ . 1 . 2]" 1
1658 1 103 HIS HB3 1 104 LEU H . . 4.340 4.181 3.620 4.330 . 0 0 "[ . 1 . 2]" 1
1659 1 103 HIS HE1 1 105 GLN HE21 . . 5.440 3.531 2.162 4.887 . 0 0 "[ . 1 . 2]" 1
1660 1 104 LEU H 1 104 LEU HB2 . . 4.000 2.751 2.605 2.971 . 0 0 "[ . 1 . 2]" 1
1661 1 104 LEU H 1 104 LEU MD1 . . 4.520 3.614 3.490 3.781 . 0 0 "[ . 1 . 2]" 1
1662 1 104 LEU H 1 104 LEU MD2 . . 3.990 2.674 2.024 3.132 . 0 0 "[ . 1 . 2]" 1
1663 1 104 LEU H 1 104 LEU HG . . 3.650 2.001 1.902 2.249 . 0 0 "[ . 1 . 2]" 1
1664 1 104 LEU HA 1 104 LEU MD2 . . 3.260 2.083 1.972 2.294 . 0 0 "[ . 1 . 2]" 1
1665 1 104 LEU HA 1 105 GLN H . . 3.300 2.175 2.141 2.258 . 0 0 "[ . 1 . 2]" 1
1666 1 104 LEU HA 1 105 GLN HA . . 4.800 4.407 4.384 4.455 . 0 0 "[ . 1 . 2]" 1
1667 1 104 LEU HA 1 105 GLN HB2 . . 4.900 4.460 4.318 4.664 . 0 0 "[ . 1 . 2]" 1
1668 1 104 LEU HA 1 105 GLN QG . . 4.600 3.974 3.635 4.366 . 0 0 "[ . 1 . 2]" 1
1669 1 104 LEU HA 1 106 TYR H . . 4.540 4.341 4.103 4.531 . 0 0 "[ . 1 . 2]" 1
1670 1 104 LEU HB2 1 104 LEU MD1 . . 3.570 2.384 2.200 2.572 . 0 0 "[ . 1 . 2]" 1
1671 1 104 LEU HB3 1 105 GLN H . . 4.590 3.343 2.881 3.920 . 0 0 "[ . 1 . 2]" 1
1672 1 104 LEU MD2 1 105 GLN H . . 4.160 3.773 3.495 4.011 . 0 0 "[ . 1 . 2]" 1
1673 1 105 GLN H 1 105 GLN HB3 . . 4.020 3.691 3.563 3.815 . 0 0 "[ . 1 . 2]" 1
1674 1 105 GLN H 1 105 GLN QG . . 4.150 2.945 2.488 3.312 . 0 0 "[ . 1 . 2]" 1
1675 1 105 GLN H 1 106 TYR H . . 3.360 2.388 2.065 2.710 . 0 0 "[ . 1 . 2]" 1
1676 1 105 GLN HA 1 105 GLN HE21 . . 5.100 4.952 4.561 5.089 . 0 0 "[ . 1 . 2]" 1
1677 1 105 GLN HA 1 105 GLN HG2 . . 3.940 2.499 2.292 2.813 . 0 0 "[ . 1 . 2]" 1
1678 1 105 GLN HA 1 105 GLN QG . . 3.140 2.359 2.244 2.499 . 0 0 "[ . 1 . 2]" 1
1679 1 105 GLN HA 1 105 GLN HG3 . . 3.940 2.989 2.551 3.193 . 0 0 "[ . 1 . 2]" 1
1680 1 105 GLN HA 1 106 TYR QE . . 5.070 4.955 4.696 5.070 . 0 0 "[ . 1 . 2]" 1
1681 1 105 GLN HB2 1 105 GLN HE21 . . 4.650 3.642 2.451 4.385 . 0 0 "[ . 1 . 2]" 1
1682 1 105 GLN HB2 1 106 TYR H . . 4.580 2.269 2.087 2.483 . 0 0 "[ . 1 . 2]" 1
1683 1 105 GLN HB2 1 106 TYR HB3 . . 5.500 5.398 5.162 5.501 0.001 4 0 "[ . 1 . 2]" 1
1684 1 105 GLN HB2 1 106 TYR QD . . 4.640 3.384 2.448 3.839 . 0 0 "[ . 1 . 2]" 1
1685 1 105 GLN HB3 1 106 TYR H . . 3.930 3.127 2.788 3.466 . 0 0 "[ . 1 . 2]" 1
1686 1 105 GLN HB3 1 106 TYR QD . . 4.740 3.319 2.756 3.590 . 0 0 "[ . 1 . 2]" 1
1687 1 105 GLN HB3 1 106 TYR QE . . 4.440 3.065 2.515 3.376 . 0 0 "[ . 1 . 2]" 1
1688 1 105 GLN QG 1 106 TYR H . . 4.600 4.025 3.839 4.144 . 0 0 "[ . 1 . 2]" 1
1689 1 106 TYR H 1 106 TYR HB2 . . 3.930 2.933 2.820 3.041 . 0 0 "[ . 1 . 2]" 1
1690 1 106 TYR H 1 106 TYR QD . . 4.060 3.014 2.482 3.360 . 0 0 "[ . 1 . 2]" 1
1691 1 106 TYR HA 1 106 TYR QD . . 3.530 2.750 2.335 3.175 . 0 0 "[ . 1 . 2]" 1
1692 1 106 TYR HA 1 107 PRO HD2 . . 3.370 1.968 1.910 2.071 . 0 0 "[ . 1 . 2]" 1
1693 1 106 TYR HA 1 107 PRO HD3 . . 3.370 2.395 2.266 2.565 . 0 0 "[ . 1 . 2]" 1
1694 1 106 TYR HA 1 107 PRO QG . . 4.440 3.784 3.764 3.818 . 0 0 "[ . 1 . 2]" 1
1695 1 106 TYR HB2 1 108 VAL H . . 5.090 4.402 4.079 4.690 . 0 0 "[ . 1 . 2]" 1
1696 1 106 TYR HB2 1 108 VAL QG . . 4.590 3.936 3.635 4.204 . 0 0 "[ . 1 . 2]" 1
1697 1 106 TYR HB3 1 107 PRO HD2 . . 4.710 3.237 2.753 3.706 . 0 0 "[ . 1 . 2]" 1
1698 1 106 TYR HB3 1 107 PRO QD . . 4.050 3.157 2.711 3.583 . 0 0 "[ . 1 . 2]" 1
1699 1 106 TYR HB3 1 107 PRO HD3 . . 4.710 4.424 4.059 4.756 0.046 8 0 "[ . 1 . 2]" 1
1700 1 106 TYR QD 1 108 VAL QG . . 5.000 4.838 4.455 5.006 0.006 16 0 "[ . 1 . 2]" 1
1701 1 107 PRO HA 1 108 VAL H . . 3.210 2.317 2.246 2.407 . 0 0 "[ . 1 . 2]" 1
1702 1 107 PRO HA 1 108 VAL QG . . 4.170 3.783 3.370 4.067 . 0 0 "[ . 1 . 2]" 1
1703 1 108 VAL H 1 108 VAL HB . . 3.630 2.870 2.451 3.637 0.007 11 0 "[ . 1 . 2]" 1
1704 1 108 VAL H 1 108 VAL MG1 . . 4.090 3.414 1.910 3.795 . 0 0 "[ . 1 . 2]" 1
1705 1 108 VAL H 1 108 VAL QG . . 3.180 2.001 1.850 2.272 . 0 0 "[ . 1 . 2]" 1
1706 1 108 VAL H 1 108 VAL MG2 . . 4.090 2.129 1.855 2.562 . 0 0 "[ . 1 . 2]" 1
1707 1 108 VAL HA 1 108 VAL QG . . 3.150 2.153 2.043 2.327 . 0 0 "[ . 1 . 2]" 1
1708 1 108 VAL HA 1 109 PRO HD2 . . 3.210 1.953 1.913 2.116 . 0 0 "[ . 1 . 2]" 1
1709 1 108 VAL HA 1 109 PRO HD3 . . 3.210 2.431 2.258 2.575 . 0 0 "[ . 1 . 2]" 1
1710 1 109 PRO HA 1 110 LEU H . . 3.070 2.395 2.235 2.611 . 0 0 "[ . 1 . 2]" 1
1711 1 109 PRO HA 1 110 LEU HA . . 4.580 4.322 4.306 4.347 . 0 0 "[ . 1 . 2]" 1
1712 1 109 PRO HA 1 110 LEU HG . . 4.750 3.891 3.630 4.327 . 0 0 "[ . 1 . 2]" 1
1713 1 109 PRO HB2 1 110 LEU H . . 3.910 2.654 2.131 3.100 . 0 0 "[ . 1 . 2]" 1
1714 1 109 PRO HB2 1 110 LEU HA . . 5.100 4.679 4.445 4.936 . 0 0 "[ . 1 . 2]" 1
1715 1 109 PRO HB3 1 110 LEU H . . 4.140 3.485 3.233 3.725 . 0 0 "[ . 1 . 2]" 1
1716 1 110 LEU H 1 110 LEU HB2 . . 3.660 2.571 2.285 2.809 . 0 0 "[ . 1 . 2]" 1
1717 1 110 LEU H 1 110 LEU QB . . 3.200 2.515 2.259 2.711 . 0 0 "[ . 1 . 2]" 1
1718 1 110 LEU H 1 110 LEU HB3 . . 3.660 3.591 3.547 3.628 . 0 0 "[ . 1 . 2]" 1
1719 1 110 LEU H 1 110 LEU MD1 . . 4.420 3.605 3.414 3.911 . 0 0 "[ . 1 . 2]" 1
1720 1 110 LEU H 1 110 LEU MD2 . . 4.360 3.169 2.445 3.762 . 0 0 "[ . 1 . 2]" 1
1721 1 110 LEU H 1 110 LEU HG . . 3.520 2.206 1.899 2.673 . 0 0 "[ . 1 . 2]" 1
1722 1 110 LEU H 1 111 GLU H . . 4.820 4.594 4.502 4.647 . 0 0 "[ . 1 . 2]" 1
1723 1 110 LEU HA 1 110 LEU MD1 . . 3.990 3.871 3.617 3.940 . 0 0 "[ . 1 . 2]" 1
1724 1 110 LEU HA 1 110 LEU MD2 . . 3.500 2.070 1.962 2.369 . 0 0 "[ . 1 . 2]" 1
1725 1 110 LEU HA 1 110 LEU HG . . 4.240 3.192 2.871 3.473 . 0 0 "[ . 1 . 2]" 1
1726 1 110 LEU HA 1 111 GLU H . . 3.050 2.478 2.241 2.652 . 0 0 "[ . 1 . 2]" 1
1727 1 110 LEU HA 1 111 GLU HA . . 4.610 4.410 4.301 4.574 . 0 0 "[ . 1 . 2]" 1
1728 1 110 LEU HA 1 111 GLU QB . . 4.730 4.115 3.829 4.491 . 0 0 "[ . 1 . 2]" 1
1729 1 110 LEU QB 1 111 GLU H . . 3.730 2.265 1.904 2.789 . 0 0 "[ . 1 . 2]" 1
1730 1 110 LEU HB2 1 111 GLU H . . 4.350 3.393 3.075 3.952 . 0 0 "[ . 1 . 2]" 1
1731 1 110 LEU HB3 1 111 GLU H . . 4.350 2.302 1.918 2.851 . 0 0 "[ . 1 . 2]" 1
1732 1 110 LEU MD1 1 111 GLU H . . 4.390 4.276 4.009 4.397 0.007 6 0 "[ . 1 . 2]" 1
1733 1 110 LEU MD2 1 111 GLU H . . 4.240 3.430 2.733 3.811 . 0 0 "[ . 1 . 2]" 1
1734 1 111 GLU H 1 111 GLU QB . . 3.370 2.476 2.270 3.043 . 0 0 "[ . 1 . 2]" 1
1735 1 111 GLU H 1 111 GLU HG2 . . 5.490 4.106 2.770 5.110 . 0 0 "[ . 1 . 2]" 1
1736 1 111 GLU H 1 111 GLU QG . . 4.670 3.707 2.593 4.251 . 0 0 "[ . 1 . 2]" 1
1737 1 111 GLU H 1 111 GLU HG3 . . 5.490 4.385 2.660 4.780 . 0 0 "[ . 1 . 2]" 1
1738 1 111 GLU HA 1 111 GLU QG . . 3.720 2.533 2.228 3.513 . 0 0 "[ . 1 . 2]" 1
1739 1 111 GLU HA 1 112 GLU H . . 3.320 2.344 2.145 2.898 . 0 0 "[ . 1 . 2]" 1
1740 1 111 GLU QB 1 112 GLU H . . 4.040 3.811 3.243 4.025 . 0 0 "[ . 1 . 2]" 1
1741 1 112 GLU H 1 112 GLU QB . . 3.550 2.523 2.164 3.060 . 0 0 "[ . 1 . 2]" 1
1742 1 112 GLU QB 1 113 GLU H . . 4.100 3.271 2.287 3.999 . 0 0 "[ . 1 . 2]" 1
1743 1 112 GLU QG 1 113 GLU H . . 5.050 3.662 2.200 4.417 . 0 0 "[ . 1 . 2]" 1
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