NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403415 |
1wjo   |
10030 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjo
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 2279
_Distance_constraint_stats_list.Viol_count 176
_Distance_constraint_stats_list.Viol_total 13.400
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0038
_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 ASN 0.024 0.023 6 0 "[ . 1 . 2]"
1 9 ASP 0.001 0.001 15 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 19 0 "[ . 1 . 2]"
1 11 ILE 0.024 0.023 6 0 "[ . 1 . 2]"
1 12 ILE 0.001 0.001 17 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 10 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 TRP 0.002 0.001 14 0 "[ . 1 . 2]"
1 16 VAL 0.000 0.000 7 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 10 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.001 0.001 13 0 "[ . 1 . 2]"
1 20 LEU 0.003 0.003 8 0 "[ . 1 . 2]"
1 21 SER 0.003 0.003 8 0 "[ . 1 . 2]"
1 22 GLU 0.001 0.000 8 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 14 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 14 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.000 0.000 1 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 1 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.016 0.013 15 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.008 0.003 15 0 "[ . 1 . 2]"
1 33 LYS 0.007 0.003 16 0 "[ . 1 . 2]"
1 34 ASP 0.002 0.002 10 0 "[ . 1 . 2]"
1 35 LYS 0.005 0.002 10 0 "[ . 1 . 2]"
1 36 THR 0.054 0.051 12 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.001 0.001 12 0 "[ . 1 . 2]"
1 40 SER 0.004 0.002 12 0 "[ . 1 . 2]"
1 41 LEU 0.001 0.001 10 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.007 0.002 13 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.012 0.009 19 0 "[ . 1 . 2]"
1 47 ILE 0.008 0.004 13 0 "[ . 1 . 2]"
1 48 ASP 0.016 0.007 13 0 "[ . 1 . 2]"
1 49 ALA 0.018 0.005 8 0 "[ . 1 . 2]"
1 50 ILE 0.007 0.002 13 0 "[ . 1 . 2]"
1 51 GLN 0.043 0.009 15 0 "[ . 1 . 2]"
1 52 PRO 0.050 0.009 15 0 "[ . 1 . 2]"
1 53 GLY 0.010 0.002 20 0 "[ . 1 . 2]"
1 54 CYS 0.007 0.002 8 0 "[ . 1 . 2]"
1 55 ILE 0.029 0.007 13 0 "[ . 1 . 2]"
1 56 ASN 0.002 0.002 20 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.001 0.001 8 0 "[ . 1 . 2]"
1 60 VAL 0.012 0.010 17 0 "[ . 1 . 2]"
1 61 LYS 0.010 0.010 17 0 "[ . 1 . 2]"
1 62 SER 0.030 0.012 17 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.009 0.008 8 0 "[ . 1 . 2]"
1 66 THR 0.007 0.004 8 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ASP 0.013 0.008 8 0 "[ . 1 . 2]"
1 70 LYS 0.002 0.002 8 0 "[ . 1 . 2]"
1 71 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.001 0.001 4 0 "[ . 1 . 2]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.004 0.001 1 0 "[ . 1 . 2]"
1 75 LYS 0.001 0.001 20 0 "[ . 1 . 2]"
1 76 TYR 0.005 0.001 15 0 "[ . 1 . 2]"
1 77 ALA 0.001 0.001 15 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 MET 0.003 0.002 20 0 "[ . 1 . 2]"
1 81 ALA 0.004 0.004 13 0 "[ . 1 . 2]"
1 82 ARG 0.005 0.002 4 0 "[ . 1 . 2]"
1 83 ARG 0.003 0.002 4 0 "[ . 1 . 2]"
1 84 ILE 0.002 0.001 19 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ALA 0.001 0.000 17 0 "[ . 1 . 2]"
1 87 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.012 0.004 8 0 "[ . 1 . 2]"
1 89 TYR 0.001 0.001 13 0 "[ . 1 . 2]"
1 90 ALA 0.006 0.004 8 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PRO 0.004 0.004 19 0 "[ . 1 . 2]"
1 93 GLU 0.012 0.005 14 0 "[ . 1 . 2]"
1 94 ASP 0.043 0.028 14 0 "[ . 1 . 2]"
1 95 LEU 0.003 0.002 8 0 "[ . 1 . 2]"
1 96 VAL 0.009 0.005 14 0 "[ . 1 . 2]"
1 97 GLU 0.021 0.011 14 0 "[ . 1 . 2]"
1 98 VAL 0.002 0.002 10 0 "[ . 1 . 2]"
1 99 LYS 0.071 0.028 14 0 "[ . 1 . 2]"
1 100 PRO 0.020 0.008 14 0 "[ . 1 . 2]"
1 101 LYS 0.007 0.007 19 0 "[ . 1 . 2]"
1 102 MET 0.055 0.054 18 0 "[ . 1 . 2]"
1 103 VAL 0.029 0.010 13 0 "[ . 1 . 2]"
1 104 MET 0.049 0.041 13 0 "[ . 1 . 2]"
1 105 THR 0.013 0.010 13 0 "[ . 1 . 2]"
1 106 VAL 0.024 0.021 1 0 "[ . 1 . 2]"
1 107 PHE 0.006 0.003 1 0 "[ . 1 . 2]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 CYS 0.025 0.021 1 0 "[ . 1 . 2]"
1 110 LEU 0.006 0.003 1 0 "[ . 1 . 2]"
1 111 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 19 0 "[ . 1 . 2]"
1 113 ARG 0.000 0.000 19 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 MET 0.016 0.015 17 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ARG 0.076 0.056 5 0 "[ . 1 . 2]"
1 118 VAL 0.030 0.026 4 0 "[ . 1 . 2]"
1 119 SER 0.026 0.026 4 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 PRO 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 ASN HA 1 11 ILE HB . . 4.660 3.754 2.297 4.683 0.023 6 0 "[ . 1 . 2]" 1
2 1 8 ASN HA 1 11 ILE MD . . 4.150 3.186 1.992 4.118 . 0 0 "[ . 1 . 2]" 1
3 1 8 ASN QB 1 9 ASP H . . 4.170 3.503 1.887 4.055 . 0 0 "[ . 1 . 2]" 1
4 1 8 ASN QB 1 11 ILE HB . . 4.900 2.716 2.006 3.665 . 0 0 "[ . 1 . 2]" 1
5 1 8 ASN QB 1 11 ILE MD . . 4.580 2.778 1.833 4.455 . 0 0 "[ . 1 . 2]" 1
6 1 8 ASN QB 1 11 ILE MG . . 4.440 3.562 2.912 4.441 0.001 6 0 "[ . 1 . 2]" 1
7 1 8 ASN HB2 1 9 ASP H . . 4.740 4.035 3.209 4.520 . 0 0 "[ . 1 . 2]" 1
8 1 8 ASN HB3 1 9 ASP H . . 4.740 3.987 1.900 4.663 . 0 0 "[ . 1 . 2]" 1
9 1 9 ASP H 1 9 ASP HB2 . . 4.200 2.997 2.217 3.667 . 0 0 "[ . 1 . 2]" 1
10 1 9 ASP H 1 9 ASP QB . . 3.670 2.622 2.158 3.173 . 0 0 "[ . 1 . 2]" 1
11 1 9 ASP H 1 9 ASP HB3 . . 4.200 3.246 2.586 3.841 . 0 0 "[ . 1 . 2]" 1
12 1 9 ASP H 1 10 ASP H . . 4.230 2.553 2.147 3.088 . 0 0 "[ . 1 . 2]" 1
13 1 9 ASP HA 1 12 ILE MD . . 4.040 2.910 2.072 3.758 . 0 0 "[ . 1 . 2]" 1
14 1 9 ASP HA 1 13 VAL MG2 . . 5.500 4.563 3.827 5.225 . 0 0 "[ . 1 . 2]" 1
15 1 9 ASP HA 1 32 PHE QE . . 4.180 2.690 2.006 3.458 . 0 0 "[ . 1 . 2]" 1
16 1 9 ASP HA 1 32 PHE HZ . . 4.800 3.413 2.708 4.126 . 0 0 "[ . 1 . 2]" 1
17 1 9 ASP QB 1 10 ASP H . . 3.700 2.570 2.117 3.273 . 0 0 "[ . 1 . 2]" 1
18 1 9 ASP HB2 1 10 ASP H . . 4.350 2.854 2.151 3.595 . 0 0 "[ . 1 . 2]" 1
19 1 9 ASP HB2 1 32 PHE QE . . 4.490 3.769 2.185 4.491 0.001 15 0 "[ . 1 . 2]" 1
20 1 9 ASP HB3 1 10 ASP H . . 4.350 3.428 2.132 3.994 . 0 0 "[ . 1 . 2]" 1
21 1 9 ASP HB3 1 32 PHE QE . . 4.490 3.160 2.075 4.461 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASP H 1 10 ASP QB . . 3.480 2.645 2.395 2.804 . 0 0 "[ . 1 . 2]" 1
23 1 10 ASP H 1 11 ILE H . . 4.090 2.703 2.214 3.157 . 0 0 "[ . 1 . 2]" 1
24 1 10 ASP HA 1 13 VAL H . . 4.680 3.417 3.157 3.615 . 0 0 "[ . 1 . 2]" 1
25 1 10 ASP HA 1 13 VAL HB . . 3.760 2.892 2.571 3.256 . 0 0 "[ . 1 . 2]" 1
26 1 10 ASP HA 1 13 VAL MG2 . . 3.900 2.620 2.410 2.888 . 0 0 "[ . 1 . 2]" 1
27 1 10 ASP HA 1 14 ASN H . . 4.670 4.097 3.783 4.340 . 0 0 "[ . 1 . 2]" 1
28 1 10 ASP QB 1 11 ILE H . . 4.110 2.717 2.009 3.598 . 0 0 "[ . 1 . 2]" 1
29 1 10 ASP QB 1 13 VAL H . . 4.900 4.795 4.592 4.891 . 0 0 "[ . 1 . 2]" 1
30 1 10 ASP QB 1 13 VAL HB . . 4.180 3.955 3.631 4.180 . 19 0 "[ . 1 . 2]" 1
31 1 10 ASP QB 1 13 VAL MG2 . . 4.420 4.178 3.776 4.420 . 0 0 "[ . 1 . 2]" 1
32 1 10 ASP QB 1 14 ASN H . . 4.480 4.323 4.043 4.477 . 0 0 "[ . 1 . 2]" 1
33 1 10 ASP QB 1 14 ASN HD21 . . 4.380 3.406 2.690 4.260 . 0 0 "[ . 1 . 2]" 1
34 1 10 ASP QB 1 14 ASN HD22 . . 4.380 3.291 2.546 4.169 . 0 0 "[ . 1 . 2]" 1
35 1 11 ILE H 1 11 ILE HB . . 3.640 2.619 2.430 2.800 . 0 0 "[ . 1 . 2]" 1
36 1 11 ILE H 1 11 ILE MD . . 4.080 2.967 1.833 3.561 . 0 0 "[ . 1 . 2]" 1
37 1 11 ILE H 1 11 ILE HG12 . . 3.990 3.137 1.898 3.935 . 0 0 "[ . 1 . 2]" 1
38 1 11 ILE H 1 11 ILE QG . . 3.420 2.210 1.890 3.050 . 0 0 "[ . 1 . 2]" 1
39 1 11 ILE H 1 11 ILE HG13 . . 3.990 2.622 1.902 3.506 . 0 0 "[ . 1 . 2]" 1
40 1 11 ILE HA 1 11 ILE MD . . 3.880 3.221 1.957 3.869 . 0 0 "[ . 1 . 2]" 1
41 1 11 ILE HA 1 11 ILE HG12 . . 3.940 2.910 2.487 3.507 . 0 0 "[ . 1 . 2]" 1
42 1 11 ILE HA 1 11 ILE QG . . 3.390 2.470 2.159 3.017 . 0 0 "[ . 1 . 2]" 1
43 1 11 ILE HA 1 11 ILE HG13 . . 3.940 2.916 2.182 3.742 . 0 0 "[ . 1 . 2]" 1
44 1 11 ILE HA 1 11 ILE MG . . 3.200 2.419 2.306 2.517 . 0 0 "[ . 1 . 2]" 1
45 1 11 ILE HA 1 14 ASN H . . 4.030 3.768 3.524 4.009 . 0 0 "[ . 1 . 2]" 1
46 1 11 ILE HA 1 14 ASN HB2 . . 4.390 2.804 2.678 2.907 . 0 0 "[ . 1 . 2]" 1
47 1 11 ILE HA 1 14 ASN QB . . 3.750 2.771 2.653 2.865 . 0 0 "[ . 1 . 2]" 1
48 1 11 ILE HA 1 14 ASN HB3 . . 4.390 4.328 4.233 4.388 . 0 0 "[ . 1 . 2]" 1
49 1 11 ILE HA 1 14 ASN QD . . 4.420 2.917 2.178 3.925 . 0 0 "[ . 1 . 2]" 1
50 1 11 ILE HB 1 11 ILE MD . . 3.460 2.500 2.083 3.230 . 0 0 "[ . 1 . 2]" 1
51 1 11 ILE HB 1 12 ILE H . . 3.820 2.421 2.087 2.891 . 0 0 "[ . 1 . 2]" 1
52 1 11 ILE QG 1 11 ILE MG . . 3.170 2.217 1.955 2.417 . 0 0 "[ . 1 . 2]" 1
53 1 11 ILE MG 1 12 ILE H . . 3.570 3.146 2.557 3.519 . 0 0 "[ . 1 . 2]" 1
54 1 11 ILE MG 1 12 ILE HA . . 3.890 3.290 2.855 3.625 . 0 0 "[ . 1 . 2]" 1
55 1 11 ILE MG 1 14 ASN QB . . 4.630 3.754 3.395 4.071 . 0 0 "[ . 1 . 2]" 1
56 1 11 ILE MG 1 15 TRP H . . 4.970 4.140 3.835 4.334 . 0 0 "[ . 1 . 2]" 1
57 1 11 ILE MG 1 15 TRP QB . . 4.590 3.589 3.178 3.938 . 0 0 "[ . 1 . 2]" 1
58 1 11 ILE MG 1 111 MET ME . . 3.150 2.565 1.931 3.122 . 0 0 "[ . 1 . 2]" 1
59 1 12 ILE H 1 12 ILE HB . . 3.900 2.543 2.439 2.652 . 0 0 "[ . 1 . 2]" 1
60 1 12 ILE H 1 12 ILE MD . . 3.980 3.411 3.162 3.627 . 0 0 "[ . 1 . 2]" 1
61 1 12 ILE H 1 12 ILE HG12 . . 4.340 3.473 3.276 3.777 . 0 0 "[ . 1 . 2]" 1
62 1 12 ILE H 1 12 ILE QG . . 3.600 2.079 1.897 2.315 . 0 0 "[ . 1 . 2]" 1
63 1 12 ILE H 1 12 ILE HG13 . . 4.340 2.095 1.908 2.336 . 0 0 "[ . 1 . 2]" 1
64 1 12 ILE H 1 12 ILE MG . . 4.290 3.762 3.747 3.773 . 0 0 "[ . 1 . 2]" 1
65 1 12 ILE H 1 13 VAL H . . 3.880 2.879 2.656 3.098 . 0 0 "[ . 1 . 2]" 1
66 1 12 ILE H 1 13 VAL MG2 . . 4.670 4.326 4.007 4.581 . 0 0 "[ . 1 . 2]" 1
67 1 12 ILE H 1 32 PHE HZ . . 4.880 4.319 3.947 4.701 . 0 0 "[ . 1 . 2]" 1
68 1 12 ILE HA 1 12 ILE MD . . 4.040 3.849 3.783 3.888 . 0 0 "[ . 1 . 2]" 1
69 1 12 ILE HA 1 12 ILE HG12 . . 3.870 2.611 2.444 2.742 . 0 0 "[ . 1 . 2]" 1
70 1 12 ILE HA 1 12 ILE HG13 . . 3.870 2.851 2.592 3.070 . 0 0 "[ . 1 . 2]" 1
71 1 12 ILE HA 1 12 ILE MG . . 3.360 2.423 2.321 2.466 . 0 0 "[ . 1 . 2]" 1
72 1 12 ILE HA 1 14 ASN H . . 5.220 4.652 4.371 5.014 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE HA 1 15 TRP H . . 4.070 3.612 3.422 3.795 . 0 0 "[ . 1 . 2]" 1
74 1 12 ILE HA 1 15 TRP HB2 . . 4.360 3.594 3.327 3.906 . 0 0 "[ . 1 . 2]" 1
75 1 12 ILE HA 1 15 TRP QB . . 3.680 2.955 2.767 3.214 . 0 0 "[ . 1 . 2]" 1
76 1 12 ILE HA 1 15 TRP HB3 . . 4.360 3.144 2.959 3.420 . 0 0 "[ . 1 . 2]" 1
77 1 12 ILE HA 1 15 TRP HE3 . . 5.450 4.943 4.575 5.313 . 0 0 "[ . 1 . 2]" 1
78 1 12 ILE HA 1 16 VAL H . . 4.840 4.268 3.951 4.448 . 0 0 "[ . 1 . 2]" 1
79 1 12 ILE HA 1 16 VAL MG2 . . 4.530 4.033 3.702 4.230 . 0 0 "[ . 1 . 2]" 1
80 1 12 ILE HA 1 111 MET ME . . 3.940 2.074 1.823 2.380 . 0 0 "[ . 1 . 2]" 1
81 1 12 ILE HB 1 12 ILE MD . . 3.380 2.336 2.173 2.457 . 0 0 "[ . 1 . 2]" 1
82 1 12 ILE HB 1 13 VAL H . . 3.950 2.358 2.227 2.612 . 0 0 "[ . 1 . 2]" 1
83 1 12 ILE HB 1 13 VAL MG2 . . 3.970 3.254 3.013 3.459 . 0 0 "[ . 1 . 2]" 1
84 1 12 ILE HB 1 32 PHE QE . . 4.580 3.325 3.013 3.548 . 0 0 "[ . 1 . 2]" 1
85 1 12 ILE HB 1 32 PHE HZ . . 3.580 2.158 1.999 2.425 . 0 0 "[ . 1 . 2]" 1
86 1 12 ILE MD 1 12 ILE MG . . 2.970 2.135 1.928 2.374 . 0 0 "[ . 1 . 2]" 1
87 1 12 ILE MD 1 13 VAL H . . 4.730 4.290 4.076 4.594 . 0 0 "[ . 1 . 2]" 1
88 1 12 ILE MD 1 32 PHE QE . . 4.730 3.133 2.579 3.481 . 0 0 "[ . 1 . 2]" 1
89 1 12 ILE MD 1 32 PHE HZ . . 3.600 2.327 1.864 2.988 . 0 0 "[ . 1 . 2]" 1
90 1 12 ILE MD 1 104 MET QB . . 5.340 4.103 2.963 4.982 . 0 0 "[ . 1 . 2]" 1
91 1 12 ILE MD 1 104 MET ME . . 3.660 3.302 1.906 3.661 0.001 17 0 "[ . 1 . 2]" 1
92 1 12 ILE MD 1 104 MET QG . . 4.230 3.056 2.338 4.159 . 0 0 "[ . 1 . 2]" 1
93 1 12 ILE MD 1 107 PHE HB2 . . 4.860 3.901 3.395 4.248 . 0 0 "[ . 1 . 2]" 1
94 1 12 ILE MD 1 107 PHE QB . . 4.180 3.639 3.253 3.947 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE MD 1 107 PHE HB3 . . 4.860 4.374 4.002 4.695 . 0 0 "[ . 1 . 2]" 1
96 1 12 ILE MD 1 108 ALA HA . . 4.060 3.486 3.096 4.054 . 0 0 "[ . 1 . 2]" 1
97 1 12 ILE MD 1 108 ALA MB . . 3.270 2.161 1.878 2.581 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE MD 1 111 MET ME . . 4.290 3.975 3.637 4.283 . 0 0 "[ . 1 . 2]" 1
99 1 12 ILE QG 1 108 ALA HA . . 4.480 3.118 2.671 3.638 . 0 0 "[ . 1 . 2]" 1
100 1 12 ILE QG 1 111 MET ME . . 4.270 2.562 2.129 2.914 . 0 0 "[ . 1 . 2]" 1
101 1 12 ILE HG12 1 108 ALA MB . . 4.460 2.908 2.288 3.337 . 0 0 "[ . 1 . 2]" 1
102 1 12 ILE HG13 1 108 ALA MB . . 4.460 4.061 3.384 4.456 . 0 0 "[ . 1 . 2]" 1
103 1 12 ILE MG 1 13 VAL H . . 4.310 3.170 2.793 3.392 . 0 0 "[ . 1 . 2]" 1
104 1 12 ILE MG 1 13 VAL HA . . 4.370 3.338 3.014 3.510 . 0 0 "[ . 1 . 2]" 1
105 1 12 ILE MG 1 13 VAL MG2 . . 4.110 3.403 3.001 3.659 . 0 0 "[ . 1 . 2]" 1
106 1 12 ILE MG 1 15 TRP H . . 4.900 4.535 4.412 4.687 . 0 0 "[ . 1 . 2]" 1
107 1 12 ILE MG 1 16 VAL H . . 4.590 3.763 3.410 3.993 . 0 0 "[ . 1 . 2]" 1
108 1 12 ILE MG 1 16 VAL MG1 . . 4.730 4.593 4.220 4.729 . 0 0 "[ . 1 . 2]" 1
109 1 12 ILE MG 1 16 VAL MG2 . . 3.250 2.410 2.028 2.556 . 0 0 "[ . 1 . 2]" 1
110 1 12 ILE MG 1 29 ILE MD . . 4.870 4.102 3.710 4.381 . 0 0 "[ . 1 . 2]" 1
111 1 12 ILE MG 1 32 PHE QE . . 3.340 2.322 2.057 2.778 . 0 0 "[ . 1 . 2]" 1
112 1 12 ILE MG 1 32 PHE HZ . . 3.670 2.651 2.020 3.088 . 0 0 "[ . 1 . 2]" 1
113 1 12 ILE MG 1 107 PHE H . . 4.630 4.077 3.638 4.500 . 0 0 "[ . 1 . 2]" 1
114 1 12 ILE MG 1 107 PHE HA . . 4.760 4.209 3.895 4.679 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE MG 1 107 PHE HB2 . . 3.730 2.480 2.013 2.930 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE MG 1 107 PHE QB . . 3.230 2.082 1.780 2.450 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE MG 1 107 PHE HB3 . . 3.730 2.253 1.984 2.627 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE MG 1 107 PHE QD . . 4.130 3.529 3.172 3.798 . 0 0 "[ . 1 . 2]" 1
119 1 12 ILE MG 1 108 ALA H . . 4.620 3.037 2.571 3.728 . 0 0 "[ . 1 . 2]" 1
120 1 12 ILE MG 1 108 ALA HA . . 3.970 2.848 2.232 3.529 . 0 0 "[ . 1 . 2]" 1
121 1 12 ILE MG 1 108 ALA MB . . 3.830 3.086 2.640 3.664 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE MG 1 111 MET H . . 5.350 4.873 4.443 5.182 . 0 0 "[ . 1 . 2]" 1
123 1 12 ILE MG 1 111 MET ME . . 4.040 2.874 2.456 3.371 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL H 1 13 VAL HB . . 3.630 2.594 2.473 2.672 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL H 1 13 VAL MG1 . . 4.410 3.764 3.755 3.768 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL H 1 13 VAL MG2 . . 3.250 2.145 1.926 2.348 . 0 0 "[ . 1 . 2]" 1
127 1 13 VAL H 1 32 PHE HZ . . 4.760 3.624 2.858 4.080 . 0 0 "[ . 1 . 2]" 1
128 1 13 VAL HA 1 13 VAL MG1 . . 3.290 2.394 2.272 2.476 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL HA 1 13 VAL MG2 . . 3.200 2.320 2.225 2.457 . 0 0 "[ . 1 . 2]" 1
130 1 13 VAL HA 1 16 VAL H . . 4.520 3.478 3.341 3.779 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL HA 1 16 VAL HB . . 3.740 2.874 2.635 3.158 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL HA 1 16 VAL MG1 . . 4.460 4.120 3.948 4.368 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL HA 1 16 VAL MG2 . . 3.460 2.446 2.080 3.021 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL HA 1 29 ILE MD . . 3.690 3.085 2.697 3.383 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL HA 1 32 PHE QE . . 5.080 4.360 3.877 4.708 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL HA 1 32 PHE HZ . . 5.500 4.990 4.391 5.414 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL HB 1 14 ASN H . . 3.330 2.397 2.102 2.595 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL MG1 1 14 ASN H . . 3.740 3.278 3.018 3.519 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL MG1 1 14 ASN HA . . 4.000 3.411 3.144 3.681 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL MG1 1 16 VAL HB . . 4.460 3.503 3.130 3.914 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL MG1 1 17 ASN H . . 4.820 4.028 3.723 4.283 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL MG1 1 17 ASN QB . . 4.280 4.068 3.738 4.280 . 10 0 "[ . 1 . 2]" 1
143 1 13 VAL MG1 1 17 ASN HD21 . . 3.490 2.863 2.429 3.266 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL MG1 1 17 ASN HD22 . . 3.490 3.016 2.613 3.402 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL MG1 1 29 ILE H . . 4.630 4.390 4.016 4.620 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL MG1 1 29 ILE MD . . 3.620 3.019 2.671 3.480 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL MG1 1 29 ILE HG13 . . 3.400 2.875 2.365 3.146 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL MG1 1 30 GLN HA . . 3.840 3.050 2.276 3.492 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL MG1 1 31 SER HA . . 4.080 3.147 2.652 3.811 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL MG2 1 14 ASN H . . 4.010 3.759 3.607 3.841 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL MG2 1 14 ASN HA . . 5.500 5.358 5.314 5.386 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL MG2 1 29 ILE MD . . 3.380 3.069 2.669 3.366 . 0 0 "[ . 1 . 2]" 1
153 1 13 VAL MG2 1 29 ILE HG13 . . 4.810 4.214 3.651 4.536 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL MG2 1 31 SER H . . 4.620 4.216 3.779 4.512 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL MG2 1 31 SER HA . . 3.380 2.150 1.934 2.507 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL MG2 1 32 PHE H . . 4.420 3.623 3.153 4.174 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL MG2 1 32 PHE QE . . 3.720 3.060 2.649 3.504 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL MG2 1 32 PHE HZ . . 3.980 3.155 2.511 3.715 . 0 0 "[ . 1 . 2]" 1
159 1 14 ASN H 1 14 ASN HB2 . . 3.700 2.291 2.215 2.400 . 0 0 "[ . 1 . 2]" 1
160 1 14 ASN H 1 14 ASN QB . . 3.020 2.265 2.193 2.366 . 0 0 "[ . 1 . 2]" 1
161 1 14 ASN H 1 14 ASN HB3 . . 3.700 3.549 3.514 3.582 . 0 0 "[ . 1 . 2]" 1
162 1 14 ASN H 1 14 ASN HD21 . . 4.770 2.982 1.971 4.107 . 0 0 "[ . 1 . 2]" 1
163 1 14 ASN H 1 14 ASN QD . . 4.060 2.874 1.962 3.855 . 0 0 "[ . 1 . 2]" 1
164 1 14 ASN H 1 14 ASN HD22 . . 4.770 4.050 3.562 4.672 . 0 0 "[ . 1 . 2]" 1
165 1 14 ASN H 1 15 TRP H . . 3.530 2.840 2.710 3.027 . 0 0 "[ . 1 . 2]" 1
166 1 14 ASN H 1 16 VAL H . . 4.620 4.403 4.172 4.620 . 0 0 "[ . 1 . 2]" 1
167 1 14 ASN HA 1 16 VAL H . . 4.970 4.697 4.442 4.969 . 0 0 "[ . 1 . 2]" 1
168 1 14 ASN HA 1 17 ASN H . . 4.390 3.802 3.589 3.935 . 0 0 "[ . 1 . 2]" 1
169 1 14 ASN HA 1 17 ASN QD . . 4.320 3.870 3.604 4.146 . 0 0 "[ . 1 . 2]" 1
170 1 14 ASN QB 1 14 ASN QD . . 3.050 2.183 2.064 2.409 . 0 0 "[ . 1 . 2]" 1
171 1 14 ASN QB 1 15 TRP H . . 3.440 2.608 2.493 2.813 . 0 0 "[ . 1 . 2]" 1
172 1 14 ASN QB 1 15 TRP HA . . 4.890 3.839 3.785 3.893 . 0 0 "[ . 1 . 2]" 1
173 1 14 ASN HB2 1 15 TRP H . . 3.930 2.729 2.598 2.974 . 0 0 "[ . 1 . 2]" 1
174 1 14 ASN HB3 1 15 TRP H . . 3.930 3.321 3.133 3.534 . 0 0 "[ . 1 . 2]" 1
175 1 15 TRP H 1 15 TRP HB2 . . 3.320 2.457 2.435 2.487 . 0 0 "[ . 1 . 2]" 1
176 1 15 TRP H 1 15 TRP HB3 . . 3.320 2.613 2.574 2.633 . 0 0 "[ . 1 . 2]" 1
177 1 15 TRP H 1 15 TRP HD1 . . 4.880 4.856 4.818 4.879 . 0 0 "[ . 1 . 2]" 1
178 1 15 TRP H 1 15 TRP HE3 . . 5.160 4.825 4.795 4.870 . 0 0 "[ . 1 . 2]" 1
179 1 15 TRP H 1 16 VAL H . . 3.480 2.724 2.613 2.853 . 0 0 "[ . 1 . 2]" 1
180 1 15 TRP H 1 16 VAL HB . . 4.950 4.855 4.747 4.950 0.000 7 0 "[ . 1 . 2]" 1
181 1 15 TRP H 1 16 VAL MG2 . . 4.600 4.121 4.007 4.252 . 0 0 "[ . 1 . 2]" 1
182 1 15 TRP H 1 17 ASN H . . 4.570 4.266 4.021 4.525 . 0 0 "[ . 1 . 2]" 1
183 1 15 TRP H 1 111 MET ME . . 4.580 3.733 3.490 3.997 . 0 0 "[ . 1 . 2]" 1
184 1 15 TRP HA 1 15 TRP HD1 . . 3.990 3.159 2.973 3.335 . 0 0 "[ . 1 . 2]" 1
185 1 15 TRP HA 1 18 ARG H . . 4.570 3.298 3.106 3.482 . 0 0 "[ . 1 . 2]" 1
186 1 15 TRP HA 1 18 ARG HB2 . . 4.390 3.118 2.566 3.811 . 0 0 "[ . 1 . 2]" 1
187 1 15 TRP HA 1 18 ARG QB . . 3.720 2.470 2.141 2.684 . 0 0 "[ . 1 . 2]" 1
188 1 15 TRP HA 1 18 ARG HB3 . . 4.390 2.625 2.206 3.028 . 0 0 "[ . 1 . 2]" 1
189 1 15 TRP HA 1 18 ARG QD . . 4.700 3.850 3.137 4.699 . 0 0 "[ . 1 . 2]" 1
190 1 15 TRP HA 1 19 THR HG1 . . 5.290 4.047 3.760 4.362 . 0 0 "[ . 1 . 2]" 1
191 1 15 TRP HA 1 111 MET ME . . 4.500 4.297 4.102 4.487 . 0 0 "[ . 1 . 2]" 1
192 1 15 TRP QB 1 15 TRP HD1 . . 3.420 2.629 2.578 2.689 . 0 0 "[ . 1 . 2]" 1
193 1 15 TRP QB 1 15 TRP HE1 . . 4.470 4.442 4.425 4.460 . 0 0 "[ . 1 . 2]" 1
194 1 15 TRP QB 1 16 VAL H . . 3.440 2.388 2.204 2.585 . 0 0 "[ . 1 . 2]" 1
195 1 15 TRP QB 1 16 VAL MG2 . . 4.490 3.298 3.027 3.464 . 0 0 "[ . 1 . 2]" 1
196 1 15 TRP HB2 1 16 VAL H . . 3.980 3.730 3.623 3.842 . 0 0 "[ . 1 . 2]" 1
197 1 15 TRP HB2 1 111 MET ME . . 3.810 2.273 2.031 2.482 . 0 0 "[ . 1 . 2]" 1
198 1 15 TRP HB3 1 16 VAL H . . 3.980 2.417 2.223 2.627 . 0 0 "[ . 1 . 2]" 1
199 1 15 TRP HB3 1 111 MET ME . . 3.810 2.215 2.022 2.387 . 0 0 "[ . 1 . 2]" 1
200 1 15 TRP HD1 1 19 THR HG1 . . 4.920 4.681 4.375 4.904 . 0 0 "[ . 1 . 2]" 1
201 1 15 TRP HD1 1 111 MET ME . . 4.100 3.506 3.218 3.741 . 0 0 "[ . 1 . 2]" 1
202 1 15 TRP HD1 1 115 MET ME . . 4.520 3.589 2.084 4.517 . 0 0 "[ . 1 . 2]" 1
203 1 15 TRP HD1 1 115 MET QG . . 5.230 4.004 2.913 5.043 . 0 0 "[ . 1 . 2]" 1
204 1 15 TRP HE1 1 19 THR HG1 . . 4.760 4.221 3.826 4.568 . 0 0 "[ . 1 . 2]" 1
205 1 15 TRP HE1 1 19 THR MG . . 5.320 5.218 4.704 5.319 . 0 0 "[ . 1 . 2]" 1
206 1 15 TRP HE1 1 111 MET HA . . 5.210 4.576 3.804 5.061 . 0 0 "[ . 1 . 2]" 1
207 1 15 TRP HE1 1 111 MET ME . . 4.690 4.550 4.157 4.688 . 0 0 "[ . 1 . 2]" 1
208 1 15 TRP HE1 1 115 MET HA . . 4.300 3.612 1.957 4.254 . 0 0 "[ . 1 . 2]" 1
209 1 15 TRP HE1 1 115 MET ME . . 4.520 3.767 2.325 4.501 . 0 0 "[ . 1 . 2]" 1
210 1 15 TRP HE1 1 115 MET QG . . 3.930 2.828 1.912 3.931 0.001 14 0 "[ . 1 . 2]" 1
211 1 15 TRP HE3 1 16 VAL H . . 4.030 2.991 2.658 3.213 . 0 0 "[ . 1 . 2]" 1
212 1 15 TRP HE3 1 16 VAL HA . . 3.960 2.509 2.129 2.852 . 0 0 "[ . 1 . 2]" 1
213 1 15 TRP HE3 1 16 VAL HB . . 5.480 4.678 4.345 4.882 . 0 0 "[ . 1 . 2]" 1
214 1 15 TRP HE3 1 16 VAL MG1 . . 5.180 4.250 4.019 4.487 . 0 0 "[ . 1 . 2]" 1
215 1 15 TRP HE3 1 16 VAL MG2 . . 3.430 2.569 2.386 2.790 . 0 0 "[ . 1 . 2]" 1
216 1 15 TRP HE3 1 19 THR HG1 . . 5.500 3.398 2.932 4.009 . 0 0 "[ . 1 . 2]" 1
217 1 15 TRP HE3 1 19 THR MG . . 5.500 4.822 4.381 5.089 . 0 0 "[ . 1 . 2]" 1
218 1 15 TRP HE3 1 46 LEU MD1 . . 5.050 3.238 2.944 3.873 . 0 0 "[ . 1 . 2]" 1
219 1 15 TRP HE3 1 46 LEU MD2 . . 4.520 3.568 3.251 3.837 . 0 0 "[ . 1 . 2]" 1
220 1 15 TRP HE3 1 46 LEU HG . . 5.500 5.302 4.857 5.501 0.001 8 0 "[ . 1 . 2]" 1
221 1 15 TRP HE3 1 111 MET HA . . 5.500 4.290 3.866 4.663 . 0 0 "[ . 1 . 2]" 1
222 1 15 TRP HH2 1 19 THR MG . . 4.200 2.905 2.227 3.558 . 0 0 "[ . 1 . 2]" 1
223 1 15 TRP HH2 1 46 LEU MD2 . . 4.520 3.852 3.437 4.287 . 0 0 "[ . 1 . 2]" 1
224 1 15 TRP HH2 1 50 ILE MD . . 3.680 2.220 1.961 2.790 . 0 0 "[ . 1 . 2]" 1
225 1 15 TRP HH2 1 50 ILE HG12 . . 4.920 2.960 2.177 3.434 . 0 0 "[ . 1 . 2]" 1
226 1 15 TRP HH2 1 50 ILE QG . . 4.220 2.803 2.132 3.295 . 0 0 "[ . 1 . 2]" 1
227 1 15 TRP HH2 1 50 ILE HG13 . . 4.920 3.507 2.993 4.240 . 0 0 "[ . 1 . 2]" 1
228 1 15 TRP HH2 1 50 ILE MG . . 4.780 4.347 3.627 4.730 . 0 0 "[ . 1 . 2]" 1
229 1 15 TRP HH2 1 110 LEU HB3 . . 4.850 3.856 3.341 4.558 . 0 0 "[ . 1 . 2]" 1
230 1 15 TRP HH2 1 111 MET HA . . 4.210 2.909 2.506 3.368 . 0 0 "[ . 1 . 2]" 1
231 1 15 TRP HH2 1 114 GLY H . . 4.730 4.123 3.398 4.559 . 0 0 "[ . 1 . 2]" 1
232 1 15 TRP HH2 1 114 GLY HA2 . . 4.900 4.297 3.837 4.799 . 0 0 "[ . 1 . 2]" 1
233 1 15 TRP HH2 1 114 GLY QA . . 4.290 2.872 2.362 3.259 . 0 0 "[ . 1 . 2]" 1
234 1 15 TRP HH2 1 114 GLY HA3 . . 4.900 2.920 2.382 3.320 . 0 0 "[ . 1 . 2]" 1
235 1 15 TRP HZ2 1 19 THR MG . . 4.300 3.616 3.149 3.992 . 0 0 "[ . 1 . 2]" 1
236 1 15 TRP HZ2 1 50 ILE MD . . 4.650 4.072 3.631 4.552 . 0 0 "[ . 1 . 2]" 1
237 1 15 TRP HZ2 1 111 MET HA . . 5.020 3.158 2.831 3.520 . 0 0 "[ . 1 . 2]" 1
238 1 15 TRP HZ2 1 114 GLY QA . . 4.150 2.363 1.992 3.003 . 0 0 "[ . 1 . 2]" 1
239 1 15 TRP HZ2 1 115 MET HA . . 4.780 4.002 2.613 4.705 . 0 0 "[ . 1 . 2]" 1
240 1 15 TRP HZ2 1 115 MET QG . . 4.990 3.895 2.818 4.926 . 0 0 "[ . 1 . 2]" 1
241 1 15 TRP HZ3 1 16 VAL HA . . 4.850 3.541 3.109 3.867 . 0 0 "[ . 1 . 2]" 1
242 1 15 TRP HZ3 1 16 VAL MG2 . . 3.980 3.725 3.447 3.916 . 0 0 "[ . 1 . 2]" 1
243 1 15 TRP HZ3 1 19 THR HG1 . . 5.500 3.822 3.411 4.606 . 0 0 "[ . 1 . 2]" 1
244 1 15 TRP HZ3 1 19 THR MG . . 5.300 3.674 2.944 4.180 . 0 0 "[ . 1 . 2]" 1
245 1 15 TRP HZ3 1 46 LEU MD1 . . 3.550 2.453 2.071 3.038 . 0 0 "[ . 1 . 2]" 1
246 1 15 TRP HZ3 1 46 LEU MD2 . . 3.430 2.313 2.085 2.578 . 0 0 "[ . 1 . 2]" 1
247 1 15 TRP HZ3 1 46 LEU HG . . 5.290 3.299 2.720 3.724 . 0 0 "[ . 1 . 2]" 1
248 1 15 TRP HZ3 1 110 LEU MD1 . . 5.350 3.966 3.455 4.579 . 0 0 "[ . 1 . 2]" 1
249 1 15 TRP HZ3 1 111 MET HA . . 5.500 3.546 3.012 4.145 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL H 1 16 VAL HB . . 3.220 2.609 2.518 2.687 . 0 0 "[ . 1 . 2]" 1
251 1 16 VAL H 1 16 VAL MG1 . . 3.810 3.769 3.761 3.782 . 0 0 "[ . 1 . 2]" 1
252 1 16 VAL H 1 16 VAL MG2 . . 3.220 2.130 1.885 2.260 . 0 0 "[ . 1 . 2]" 1
253 1 16 VAL H 1 17 ASN H . . 3.670 2.905 2.707 3.070 . 0 0 "[ . 1 . 2]" 1
254 1 16 VAL H 1 19 THR HG1 . . 5.250 4.800 4.445 5.164 . 0 0 "[ . 1 . 2]" 1
255 1 16 VAL H 1 29 ILE MD . . 5.190 4.957 4.699 5.177 . 0 0 "[ . 1 . 2]" 1
256 1 16 VAL H 1 111 MET ME . . 5.070 4.161 3.826 4.450 . 0 0 "[ . 1 . 2]" 1
257 1 16 VAL HA 1 16 VAL MG1 . . 3.330 2.371 2.324 2.453 . 0 0 "[ . 1 . 2]" 1
258 1 16 VAL HA 1 16 VAL MG2 . . 3.450 2.298 2.221 2.436 . 0 0 "[ . 1 . 2]" 1
259 1 16 VAL HA 1 19 THR H . . 4.410 3.925 3.712 4.166 . 0 0 "[ . 1 . 2]" 1
260 1 16 VAL HA 1 19 THR HB . . 4.030 3.300 3.008 3.694 . 0 0 "[ . 1 . 2]" 1
261 1 16 VAL HA 1 19 THR HG1 . . 4.610 3.581 3.020 4.048 . 0 0 "[ . 1 . 2]" 1
262 1 16 VAL HA 1 20 LEU H . . 4.700 4.352 4.037 4.685 . 0 0 "[ . 1 . 2]" 1
263 1 16 VAL HA 1 46 LEU MD1 . . 3.730 2.141 1.967 2.516 . 0 0 "[ . 1 . 2]" 1
264 1 16 VAL HA 1 46 LEU MD2 . . 4.000 3.160 2.826 3.642 . 0 0 "[ . 1 . 2]" 1
265 1 16 VAL HB 1 17 ASN H . . 3.500 2.545 2.311 2.766 . 0 0 "[ . 1 . 2]" 1
266 1 16 VAL HB 1 29 ILE MD . . 4.190 3.100 2.773 3.414 . 0 0 "[ . 1 . 2]" 1
267 1 16 VAL HB 1 107 PHE QD . . 5.500 4.975 4.437 5.276 . 0 0 "[ . 1 . 2]" 1
268 1 16 VAL MG1 1 17 ASN H . . 3.820 3.388 3.151 3.526 . 0 0 "[ . 1 . 2]" 1
269 1 16 VAL MG1 1 17 ASN HA . . 4.120 3.481 3.308 3.634 . 0 0 "[ . 1 . 2]" 1
270 1 16 VAL MG1 1 18 ARG H . . 5.500 5.088 4.912 5.267 . 0 0 "[ . 1 . 2]" 1
271 1 16 VAL MG1 1 29 ILE MD . . 3.600 2.477 1.951 2.824 . 0 0 "[ . 1 . 2]" 1
272 1 16 VAL MG1 1 46 LEU QB . . 3.540 3.183 2.899 3.531 . 0 0 "[ . 1 . 2]" 1
273 1 16 VAL MG1 1 107 PHE QD . . 4.000 3.169 2.123 3.711 . 0 0 "[ . 1 . 2]" 1
274 1 16 VAL MG1 1 107 PHE QE . . 3.480 2.545 2.022 3.447 . 0 0 "[ . 1 . 2]" 1
275 1 16 VAL MG2 1 17 ASN H . . 4.270 3.824 3.711 3.923 . 0 0 "[ . 1 . 2]" 1
276 1 16 VAL MG2 1 29 ILE MD . . 3.890 2.471 1.989 2.755 . 0 0 "[ . 1 . 2]" 1
277 1 16 VAL MG2 1 32 PHE QE . . 4.400 3.912 3.474 4.247 . 0 0 "[ . 1 . 2]" 1
278 1 16 VAL MG2 1 46 LEU MD1 . . 3.880 3.181 2.905 3.362 . 0 0 "[ . 1 . 2]" 1
279 1 16 VAL MG2 1 107 PHE HA . . 4.920 4.021 3.447 4.339 . 0 0 "[ . 1 . 2]" 1
280 1 16 VAL MG2 1 107 PHE HB2 . . 4.130 3.695 3.155 3.969 . 0 0 "[ . 1 . 2]" 1
281 1 16 VAL MG2 1 107 PHE QB . . 3.610 2.558 1.903 2.822 . 0 0 "[ . 1 . 2]" 1
282 1 16 VAL MG2 1 107 PHE HB3 . . 4.130 2.611 1.919 2.888 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL MG2 1 107 PHE QD . . 3.460 2.427 2.007 2.823 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL MG2 1 107 PHE QE . . 4.550 3.222 2.797 3.673 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL MG2 1 111 MET ME . . 4.440 4.059 3.651 4.359 . 0 0 "[ . 1 . 2]" 1
286 1 17 ASN H 1 17 ASN QB . . 3.370 2.218 2.158 2.369 . 0 0 "[ . 1 . 2]" 1
287 1 17 ASN H 1 17 ASN HD21 . . 4.810 2.273 1.826 4.233 . 0 0 "[ . 1 . 2]" 1
288 1 17 ASN H 1 17 ASN QD . . 4.160 2.244 1.820 3.896 . 0 0 "[ . 1 . 2]" 1
289 1 17 ASN H 1 17 ASN HD22 . . 4.810 3.864 3.533 4.553 . 0 0 "[ . 1 . 2]" 1
290 1 17 ASN H 1 18 ARG H . . 3.630 2.608 2.413 2.782 . 0 0 "[ . 1 . 2]" 1
291 1 17 ASN H 1 18 ARG QB . . 5.030 4.325 4.163 4.483 . 0 0 "[ . 1 . 2]" 1
292 1 17 ASN H 1 20 LEU MD1 . . 4.450 3.965 3.612 4.311 . 0 0 "[ . 1 . 2]" 1
293 1 17 ASN HA 1 20 LEU H . . 4.080 3.589 3.395 3.955 . 0 0 "[ . 1 . 2]" 1
294 1 17 ASN HA 1 20 LEU HB2 . . 4.250 2.724 2.505 2.950 . 0 0 "[ . 1 . 2]" 1
295 1 17 ASN HA 1 20 LEU HB3 . . 4.520 4.269 4.009 4.514 . 0 0 "[ . 1 . 2]" 1
296 1 17 ASN HA 1 20 LEU MD1 . . 3.790 2.107 1.864 2.333 . 0 0 "[ . 1 . 2]" 1
297 1 17 ASN HA 1 20 LEU MD2 . . 5.170 4.621 4.298 4.827 . 0 0 "[ . 1 . 2]" 1
298 1 17 ASN HA 1 21 SER H . . 4.500 4.330 4.022 4.479 . 0 0 "[ . 1 . 2]" 1
299 1 17 ASN QB 1 17 ASN HD22 . . 3.700 3.352 3.214 3.428 . 0 0 "[ . 1 . 2]" 1
300 1 17 ASN QB 1 18 ARG H . . 3.630 2.605 2.393 2.839 . 0 0 "[ . 1 . 2]" 1
301 1 17 ASN QD 1 28 SER HA . . 4.700 3.996 3.410 4.301 . 0 0 "[ . 1 . 2]" 1
302 1 17 ASN QD 1 28 SER QB . . 4.510 3.125 2.338 3.983 . 0 0 "[ . 1 . 2]" 1
303 1 17 ASN QD 1 29 ILE H . . 3.490 2.587 2.096 2.997 . 0 0 "[ . 1 . 2]" 1
304 1 17 ASN QD 1 29 ILE HG12 . . 4.580 3.783 3.210 4.262 . 0 0 "[ . 1 . 2]" 1
305 1 17 ASN QD 1 29 ILE HG13 . . 4.630 2.872 2.231 3.528 . 0 0 "[ . 1 . 2]" 1
306 1 17 ASN HD21 1 29 ILE H . . 4.190 3.730 3.274 4.036 . 0 0 "[ . 1 . 2]" 1
307 1 17 ASN HD22 1 29 ILE H . . 4.190 2.643 2.121 3.094 . 0 0 "[ . 1 . 2]" 1
308 1 18 ARG H 1 18 ARG HB2 . . 3.330 2.424 2.175 2.617 . 0 0 "[ . 1 . 2]" 1
309 1 18 ARG H 1 18 ARG HB3 . . 3.330 2.640 2.459 2.976 . 0 0 "[ . 1 . 2]" 1
310 1 18 ARG H 1 18 ARG QD . . 4.700 4.309 3.810 4.626 . 0 0 "[ . 1 . 2]" 1
311 1 18 ARG H 1 18 ARG HG2 . . 5.070 4.540 4.410 4.637 . 0 0 "[ . 1 . 2]" 1
312 1 18 ARG H 1 18 ARG QG . . 4.350 3.982 3.931 4.045 . 0 0 "[ . 1 . 2]" 1
313 1 18 ARG H 1 18 ARG HG3 . . 5.070 4.411 4.291 4.512 . 0 0 "[ . 1 . 2]" 1
314 1 18 ARG H 1 19 THR H . . 3.440 2.839 2.584 3.009 . 0 0 "[ . 1 . 2]" 1
315 1 18 ARG H 1 19 THR HB . . 5.210 5.035 4.876 5.199 . 0 0 "[ . 1 . 2]" 1
316 1 18 ARG H 1 20 LEU MD1 . . 5.500 4.930 4.610 5.160 . 0 0 "[ . 1 . 2]" 1
317 1 18 ARG HA 1 18 ARG QD . . 4.410 3.595 2.325 4.210 . 0 0 "[ . 1 . 2]" 1
318 1 18 ARG HA 1 18 ARG HG2 . . 3.850 3.377 3.074 3.809 . 0 0 "[ . 1 . 2]" 1
319 1 18 ARG HA 1 18 ARG QG . . 3.210 2.445 2.255 2.737 . 0 0 "[ . 1 . 2]" 1
320 1 18 ARG HA 1 18 ARG HG3 . . 3.850 2.515 2.302 2.805 . 0 0 "[ . 1 . 2]" 1
321 1 18 ARG HA 1 20 LEU H . . 5.180 4.453 4.151 5.167 . 0 0 "[ . 1 . 2]" 1
322 1 18 ARG QB 1 19 THR H . . 3.330 2.327 2.129 2.537 . 0 0 "[ . 1 . 2]" 1
323 1 18 ARG HB2 1 18 ARG QD . . 3.550 2.306 2.104 2.695 . 0 0 "[ . 1 . 2]" 1
324 1 18 ARG HB2 1 19 THR H . . 4.020 3.680 3.417 3.878 . 0 0 "[ . 1 . 2]" 1
325 1 18 ARG HB3 1 18 ARG QD . . 3.550 2.785 2.259 3.293 . 0 0 "[ . 1 . 2]" 1
326 1 18 ARG HB3 1 19 THR H . . 4.020 2.353 2.149 2.573 . 0 0 "[ . 1 . 2]" 1
327 1 18 ARG QG 1 19 THR H . . 4.190 3.533 3.115 3.849 . 0 0 "[ . 1 . 2]" 1
328 1 18 ARG QG 1 19 THR HA . . 4.650 3.734 3.324 4.304 . 0 0 "[ . 1 . 2]" 1
329 1 18 ARG QG 1 22 GLU H . . 4.860 4.176 3.977 4.354 . 0 0 "[ . 1 . 2]" 1
330 1 18 ARG HG2 1 19 THR H . . 4.830 3.829 3.213 4.570 . 0 0 "[ . 1 . 2]" 1
331 1 18 ARG HG2 1 22 GLU HG3 . . 4.440 3.401 2.727 4.439 . 0 0 "[ . 1 . 2]" 1
332 1 18 ARG HG3 1 19 THR H . . 4.830 4.353 3.703 4.778 . 0 0 "[ . 1 . 2]" 1
333 1 18 ARG HG3 1 22 GLU HG3 . . 4.440 3.643 2.593 4.417 . 0 0 "[ . 1 . 2]" 1
334 1 19 THR H 1 19 THR HB . . 3.240 2.607 2.475 2.678 . 0 0 "[ . 1 . 2]" 1
335 1 19 THR H 1 19 THR HG1 . . 3.200 2.181 1.917 2.606 . 0 0 "[ . 1 . 2]" 1
336 1 19 THR H 1 19 THR MG . . 3.910 3.764 3.758 3.768 . 0 0 "[ . 1 . 2]" 1
337 1 19 THR H 1 20 LEU H . . 3.390 2.781 2.623 3.088 . 0 0 "[ . 1 . 2]" 1
338 1 19 THR H 1 46 LEU MD1 . . 4.350 3.841 3.535 4.069 . 0 0 "[ . 1 . 2]" 1
339 1 19 THR HA 1 19 THR MG . . 3.300 2.310 2.239 2.485 . 0 0 "[ . 1 . 2]" 1
340 1 19 THR HA 1 21 SER H . . 4.710 4.430 4.089 4.709 . 0 0 "[ . 1 . 2]" 1
341 1 19 THR HA 1 22 GLU H . . 4.150 3.491 3.222 3.666 . 0 0 "[ . 1 . 2]" 1
342 1 19 THR HA 1 22 GLU HB2 . . 3.810 2.627 2.479 2.862 . 0 0 "[ . 1 . 2]" 1
343 1 19 THR HA 1 22 GLU HB3 . . 4.380 4.128 3.988 4.366 . 0 0 "[ . 1 . 2]" 1
344 1 19 THR HA 1 23 ALA H . . 5.080 4.804 4.677 4.943 . 0 0 "[ . 1 . 2]" 1
345 1 19 THR HA 1 46 LEU MD1 . . 4.560 4.334 4.188 4.549 . 0 0 "[ . 1 . 2]" 1
346 1 19 THR HB 1 20 LEU H . . 3.540 2.597 2.043 2.873 . 0 0 "[ . 1 . 2]" 1
347 1 19 THR HB 1 46 LEU MD1 . . 3.690 1.918 1.792 2.106 . 0 0 "[ . 1 . 2]" 1
348 1 19 THR HG1 1 20 LEU H . . 4.230 4.117 3.929 4.217 . 0 0 "[ . 1 . 2]" 1
349 1 19 THR HG1 1 46 LEU MD1 . . 4.330 3.192 2.723 3.726 . 0 0 "[ . 1 . 2]" 1
350 1 19 THR MG 1 20 LEU H . . 3.850 3.509 2.991 3.775 . 0 0 "[ . 1 . 2]" 1
351 1 19 THR MG 1 20 LEU HA . . 4.590 3.617 3.252 3.861 . 0 0 "[ . 1 . 2]" 1
352 1 19 THR MG 1 22 GLU H . . 4.930 4.656 4.270 4.885 . 0 0 "[ . 1 . 2]" 1
353 1 19 THR MG 1 22 GLU HB3 . . 4.850 4.383 4.148 4.738 . 0 0 "[ . 1 . 2]" 1
354 1 19 THR MG 1 23 ALA H . . 4.690 4.545 4.286 4.690 . 0 0 "[ . 1 . 2]" 1
355 1 19 THR MG 1 23 ALA MB . . 4.670 4.207 3.955 4.420 . 0 0 "[ . 1 . 2]" 1
356 1 19 THR MG 1 46 LEU HA . . 4.090 3.189 2.863 3.489 . 0 0 "[ . 1 . 2]" 1
357 1 19 THR MG 1 46 LEU MD1 . . 2.790 2.140 1.847 2.530 . 0 0 "[ . 1 . 2]" 1
358 1 19 THR MG 1 49 ALA H . . 4.090 4.044 3.916 4.091 0.001 13 0 "[ . 1 . 2]" 1
359 1 19 THR MG 1 49 ALA HA . . 4.660 4.183 4.027 4.284 . 0 0 "[ . 1 . 2]" 1
360 1 19 THR MG 1 49 ALA MB . . 2.950 1.821 1.715 1.914 . 0 0 "[ . 1 . 2]" 1
361 1 19 THR MG 1 50 ILE H . . 4.510 3.336 2.895 3.655 . 0 0 "[ . 1 . 2]" 1
362 1 19 THR MG 1 50 ILE HA . . 4.860 3.986 3.571 4.406 . 0 0 "[ . 1 . 2]" 1
363 1 19 THR MG 1 50 ILE QG . . 4.090 2.420 1.970 2.883 . 0 0 "[ . 1 . 2]" 1
364 1 20 LEU H 1 20 LEU HB2 . . 3.270 2.383 2.284 2.593 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU H 1 20 LEU HB3 . . 3.780 3.570 3.546 3.621 . 0 0 "[ . 1 . 2]" 1
366 1 20 LEU H 1 20 LEU MD1 . . 4.020 3.386 3.241 3.520 . 0 0 "[ . 1 . 2]" 1
367 1 20 LEU H 1 20 LEU MD2 . . 3.970 3.777 3.560 3.949 . 0 0 "[ . 1 . 2]" 1
368 1 20 LEU H 1 20 LEU HG . . 3.180 2.480 2.176 2.693 . 0 0 "[ . 1 . 2]" 1
369 1 20 LEU H 1 21 SER H . . 3.390 2.752 2.605 3.027 . 0 0 "[ . 1 . 2]" 1
370 1 20 LEU H 1 21 SER QB . . 4.800 4.512 4.391 4.798 . 0 0 "[ . 1 . 2]" 1
371 1 20 LEU H 1 46 LEU HA . . 5.500 4.720 4.383 5.189 . 0 0 "[ . 1 . 2]" 1
372 1 20 LEU H 1 46 LEU MD1 . . 4.050 3.152 2.642 3.464 . 0 0 "[ . 1 . 2]" 1
373 1 20 LEU HA 1 20 LEU MD1 . . 4.390 3.878 3.857 3.900 . 0 0 "[ . 1 . 2]" 1
374 1 20 LEU HA 1 20 LEU MD2 . . 3.130 2.305 2.116 2.538 . 0 0 "[ . 1 . 2]" 1
375 1 20 LEU HA 1 20 LEU HG . . 3.860 2.777 2.660 2.873 . 0 0 "[ . 1 . 2]" 1
376 1 20 LEU HA 1 23 ALA H . . 4.240 3.992 3.821 4.110 . 0 0 "[ . 1 . 2]" 1
377 1 20 LEU HA 1 23 ALA MB . . 4.120 3.749 3.408 4.074 . 0 0 "[ . 1 . 2]" 1
378 1 20 LEU HA 1 25 LYS H . . 4.360 3.980 3.736 4.301 . 0 0 "[ . 1 . 2]" 1
379 1 20 LEU HA 1 25 LYS QB . . 4.210 3.273 2.979 3.618 . 0 0 "[ . 1 . 2]" 1
380 1 20 LEU HA 1 25 LYS QG . . 4.220 2.785 2.345 3.184 . 0 0 "[ . 1 . 2]" 1
381 1 20 LEU HA 1 46 LEU MD1 . . 4.730 3.664 3.265 4.006 . 0 0 "[ . 1 . 2]" 1
382 1 20 LEU HA 1 49 ALA MB . . 4.100 3.121 2.775 3.419 . 0 0 "[ . 1 . 2]" 1
383 1 20 LEU HB2 1 20 LEU MD1 . . 3.400 2.077 1.982 2.206 . 0 0 "[ . 1 . 2]" 1
384 1 20 LEU HB2 1 21 SER H . . 3.330 2.589 2.373 2.783 . 0 0 "[ . 1 . 2]" 1
385 1 20 LEU HB2 1 21 SER QB . . 4.270 4.084 3.986 4.273 0.003 8 0 "[ . 1 . 2]" 1
386 1 20 LEU HB2 1 22 GLU H . . 5.230 5.074 4.895 5.230 0.000 10 0 "[ . 1 . 2]" 1
387 1 20 LEU HB3 1 20 LEU MD1 . . 3.350 2.571 2.437 2.666 . 0 0 "[ . 1 . 2]" 1
388 1 20 LEU HB3 1 20 LEU MD2 . . 3.460 2.185 2.039 2.292 . 0 0 "[ . 1 . 2]" 1
389 1 20 LEU HB3 1 21 SER H . . 3.610 3.451 3.232 3.603 . 0 0 "[ . 1 . 2]" 1
390 1 20 LEU HB3 1 25 LYS H . . 4.160 3.581 3.370 3.936 . 0 0 "[ . 1 . 2]" 1
391 1 20 LEU HB3 1 25 LYS QB . . 4.030 2.264 2.083 2.547 . 0 0 "[ . 1 . 2]" 1
392 1 20 LEU MD1 1 21 SER H . . 4.390 4.307 4.129 4.390 . 0 0 "[ . 1 . 2]" 1
393 1 20 LEU MD1 1 27 THR H . . 4.860 4.150 3.888 4.458 . 0 0 "[ . 1 . 2]" 1
394 1 20 LEU MD1 1 27 THR HB . . 4.160 3.849 3.310 4.141 . 0 0 "[ . 1 . 2]" 1
395 1 20 LEU MD1 1 28 SER H . . 4.140 3.860 3.667 4.095 . 0 0 "[ . 1 . 2]" 1
396 1 20 LEU MD1 1 28 SER HA . . 3.400 2.068 1.953 2.271 . 0 0 "[ . 1 . 2]" 1
397 1 20 LEU MD1 1 28 SER HB2 . . 4.460 3.444 2.617 4.397 . 0 0 "[ . 1 . 2]" 1
398 1 20 LEU MD1 1 28 SER HB3 . . 4.460 3.145 2.484 4.421 . 0 0 "[ . 1 . 2]" 1
399 1 20 LEU MD1 1 29 ILE H . . 4.690 3.407 3.146 3.824 . 0 0 "[ . 1 . 2]" 1
400 1 20 LEU MD1 1 42 ALA HA . . 4.170 3.756 3.337 4.116 . 0 0 "[ . 1 . 2]" 1
401 1 20 LEU MD1 1 42 ALA MB . . 3.770 2.960 2.681 3.226 . 0 0 "[ . 1 . 2]" 1
402 1 20 LEU MD1 1 45 ASP HB2 . . 4.510 4.289 3.878 4.505 . 0 0 "[ . 1 . 2]" 1
403 1 20 LEU MD2 1 25 LYS H . . 4.680 4.188 3.962 4.584 . 0 0 "[ . 1 . 2]" 1
404 1 20 LEU MD2 1 25 LYS HA . . 5.500 4.667 4.462 5.187 . 0 0 "[ . 1 . 2]" 1
405 1 20 LEU MD2 1 25 LYS QB . . 3.380 2.153 1.944 2.545 . 0 0 "[ . 1 . 2]" 1
406 1 20 LEU MD2 1 25 LYS QD . . 4.590 3.587 3.154 4.023 . 0 0 "[ . 1 . 2]" 1
407 1 20 LEU MD2 1 25 LYS QG . . 3.680 2.200 1.959 2.678 . 0 0 "[ . 1 . 2]" 1
408 1 20 LEU MD2 1 26 SER H . . 5.200 4.883 4.527 5.200 . 0 0 "[ . 1 . 2]" 1
409 1 20 LEU MD2 1 27 THR H . . 3.770 3.497 3.185 3.750 . 0 0 "[ . 1 . 2]" 1
410 1 20 LEU MD2 1 27 THR HB . . 4.700 3.749 3.529 4.157 . 0 0 "[ . 1 . 2]" 1
411 1 20 LEU MD2 1 27 THR HG1 . . 4.430 2.250 1.986 2.570 . 0 0 "[ . 1 . 2]" 1
412 1 20 LEU MD2 1 27 THR MG . . 4.290 4.106 3.753 4.270 . 0 0 "[ . 1 . 2]" 1
413 1 20 LEU MD2 1 42 ALA HA . . 3.910 3.185 2.852 3.522 . 0 0 "[ . 1 . 2]" 1
414 1 20 LEU MD2 1 45 ASP H . . 4.480 4.095 3.757 4.344 . 0 0 "[ . 1 . 2]" 1
415 1 20 LEU MD2 1 45 ASP HB2 . . 3.470 2.553 2.152 2.843 . 0 0 "[ . 1 . 2]" 1
416 1 20 LEU MD2 1 45 ASP HB3 . . 3.680 2.274 2.029 2.579 . 0 0 "[ . 1 . 2]" 1
417 1 20 LEU MD2 1 46 LEU H . . 3.350 2.914 2.448 3.251 . 0 0 "[ . 1 . 2]" 1
418 1 20 LEU MD2 1 46 LEU HA . . 3.460 2.393 2.085 2.739 . 0 0 "[ . 1 . 2]" 1
419 1 20 LEU MD2 1 46 LEU HB2 . . 4.460 2.796 2.420 3.137 . 0 0 "[ . 1 . 2]" 1
420 1 20 LEU MD2 1 46 LEU QB . . 3.850 2.747 2.389 3.063 . 0 0 "[ . 1 . 2]" 1
421 1 20 LEU MD2 1 46 LEU HB3 . . 4.460 4.038 3.634 4.328 . 0 0 "[ . 1 . 2]" 1
422 1 21 SER H 1 21 SER QB . . 2.830 2.237 2.162 2.272 . 0 0 "[ . 1 . 2]" 1
423 1 21 SER H 1 22 GLU H . . 3.310 2.662 2.537 2.762 . 0 0 "[ . 1 . 2]" 1
424 1 21 SER H 1 22 GLU HB2 . . 4.710 4.509 4.386 4.660 . 0 0 "[ . 1 . 2]" 1
425 1 21 SER H 1 22 GLU HG3 . . 5.060 4.887 4.730 5.051 . 0 0 "[ . 1 . 2]" 1
426 1 21 SER H 1 23 ALA H . . 4.580 4.305 4.004 4.541 . 0 0 "[ . 1 . 2]" 1
427 1 21 SER HA 1 23 ALA H . . 4.580 4.013 3.587 4.333 . 0 0 "[ . 1 . 2]" 1
428 1 21 SER HA 1 25 LYS H . . 3.920 3.155 2.938 3.494 . 0 0 "[ . 1 . 2]" 1
429 1 21 SER QB 1 22 GLU H . . 3.110 2.489 2.274 2.621 . 0 0 "[ . 1 . 2]" 1
430 1 21 SER QB 1 22 GLU HG3 . . 4.680 4.234 3.984 4.373 . 0 0 "[ . 1 . 2]" 1
431 1 22 GLU H 1 22 GLU HB2 . . 2.970 2.354 2.282 2.424 . 0 0 "[ . 1 . 2]" 1
432 1 22 GLU H 1 22 GLU HB3 . . 3.790 3.580 3.549 3.600 . 0 0 "[ . 1 . 2]" 1
433 1 22 GLU H 1 22 GLU HG2 . . 3.580 3.436 3.272 3.568 . 0 0 "[ . 1 . 2]" 1
434 1 22 GLU H 1 22 GLU HG3 . . 3.270 2.696 2.533 2.787 . 0 0 "[ . 1 . 2]" 1
435 1 22 GLU H 1 23 ALA H . . 3.220 2.977 2.845 3.067 . 0 0 "[ . 1 . 2]" 1
436 1 22 GLU H 1 23 ALA MB . . 5.500 4.694 4.549 4.816 . 0 0 "[ . 1 . 2]" 1
437 1 22 GLU H 1 24 GLY H . . 4.470 4.220 4.071 4.433 . 0 0 "[ . 1 . 2]" 1
438 1 22 GLU HA 1 22 GLU HG2 . . 3.320 2.213 2.178 2.283 . 0 0 "[ . 1 . 2]" 1
439 1 22 GLU HA 1 22 GLU HG3 . . 3.580 3.095 2.968 3.191 . 0 0 "[ . 1 . 2]" 1
440 1 22 GLU HA 1 23 ALA H . . 3.560 3.530 3.450 3.560 . 0 0 "[ . 1 . 2]" 1
441 1 22 GLU HB2 1 23 ALA H . . 3.500 2.785 2.560 3.136 . 0 0 "[ . 1 . 2]" 1
442 1 22 GLU HB3 1 23 ALA H . . 4.340 3.342 3.134 3.689 . 0 0 "[ . 1 . 2]" 1
443 1 22 GLU HB3 1 49 ALA HA . . 5.500 5.431 5.107 5.500 0.000 8 0 "[ . 1 . 2]" 1
444 1 22 GLU HG2 1 23 ALA H . . 5.200 4.958 4.872 5.095 . 0 0 "[ . 1 . 2]" 1
445 1 23 ALA H 1 23 ALA MB . . 2.850 2.221 2.102 2.343 . 0 0 "[ . 1 . 2]" 1
446 1 23 ALA H 1 24 GLY H . . 3.150 2.281 2.069 2.428 . 0 0 "[ . 1 . 2]" 1
447 1 23 ALA H 1 24 GLY QA . . 4.600 4.191 4.008 4.341 . 0 0 "[ . 1 . 2]" 1
448 1 23 ALA H 1 25 LYS H . . 4.210 4.140 3.884 4.210 0.000 14 0 "[ . 1 . 2]" 1
449 1 23 ALA H 1 25 LYS QB . . 5.500 5.430 5.262 5.499 . 0 0 "[ . 1 . 2]" 1
450 1 23 ALA H 1 49 ALA MB . . 4.310 3.241 2.823 3.522 . 0 0 "[ . 1 . 2]" 1
451 1 23 ALA HA 1 49 ALA MB . . 4.660 4.410 4.129 4.608 . 0 0 "[ . 1 . 2]" 1
452 1 23 ALA MB 1 24 GLY H . . 3.640 2.663 2.450 2.882 . 0 0 "[ . 1 . 2]" 1
453 1 23 ALA MB 1 25 LYS H . . 4.250 3.690 3.425 4.091 . 0 0 "[ . 1 . 2]" 1
454 1 23 ALA MB 1 25 LYS HE2 . . 4.290 2.611 1.944 3.842 . 0 0 "[ . 1 . 2]" 1
455 1 23 ALA MB 1 25 LYS QE . . 3.580 2.369 1.920 3.122 . 0 0 "[ . 1 . 2]" 1
456 1 23 ALA MB 1 25 LYS HE3 . . 4.290 3.353 2.148 4.235 . 0 0 "[ . 1 . 2]" 1
457 1 23 ALA MB 1 49 ALA H . . 4.110 3.774 3.473 4.020 . 0 0 "[ . 1 . 2]" 1
458 1 23 ALA MB 1 49 ALA HA . . 3.520 2.261 1.971 2.672 . 0 0 "[ . 1 . 2]" 1
459 1 23 ALA MB 1 49 ALA MB . . 2.920 2.306 1.979 2.501 . 0 0 "[ . 1 . 2]" 1
460 1 24 GLY H 1 25 LYS QB . . 4.560 4.289 4.115 4.458 . 0 0 "[ . 1 . 2]" 1
461 1 24 GLY QA 1 25 LYS QG . . 4.880 4.088 3.865 4.294 . 0 0 "[ . 1 . 2]" 1
462 1 25 LYS H 1 25 LYS QB . . 3.210 2.491 2.388 2.614 . 0 0 "[ . 1 . 2]" 1
463 1 25 LYS H 1 25 LYS QD . . 4.570 3.865 3.751 4.019 . 0 0 "[ . 1 . 2]" 1
464 1 25 LYS H 1 25 LYS QE . . 4.910 4.327 3.827 4.829 . 0 0 "[ . 1 . 2]" 1
465 1 25 LYS H 1 25 LYS QG . . 3.320 2.344 2.151 2.481 . 0 0 "[ . 1 . 2]" 1
466 1 25 LYS H 1 26 SER H . . 4.690 4.578 4.556 4.605 . 0 0 "[ . 1 . 2]" 1
467 1 25 LYS H 1 27 THR H . . 5.100 4.830 4.697 5.033 . 0 0 "[ . 1 . 2]" 1
468 1 25 LYS HA 1 25 LYS HD2 . . 4.380 3.575 3.228 3.830 . 0 0 "[ . 1 . 2]" 1
469 1 25 LYS HA 1 25 LYS QD . . 3.790 2.126 1.988 2.413 . 0 0 "[ . 1 . 2]" 1
470 1 25 LYS HA 1 25 LYS HD3 . . 4.380 2.143 2.000 2.440 . 0 0 "[ . 1 . 2]" 1
471 1 25 LYS HA 1 26 SER H . . 3.250 2.324 2.206 2.478 . 0 0 "[ . 1 . 2]" 1
472 1 25 LYS QB 1 26 SER H . . 3.730 2.596 2.293 2.922 . 0 0 "[ . 1 . 2]" 1
473 1 25 LYS QB 1 27 THR H . . 3.270 2.506 2.381 2.766 . 0 0 "[ . 1 . 2]" 1
474 1 25 LYS QB 1 27 THR MG . . 4.350 3.704 3.328 4.043 . 0 0 "[ . 1 . 2]" 1
475 1 25 LYS QB 1 45 ASP HB2 . . 4.670 3.583 3.360 3.862 . 0 0 "[ . 1 . 2]" 1
476 1 25 LYS QB 1 45 ASP HB3 . . 4.790 2.383 2.073 2.678 . 0 0 "[ . 1 . 2]" 1
477 1 25 LYS QD 1 26 SER H . . 4.200 3.524 3.282 3.829 . 0 0 "[ . 1 . 2]" 1
478 1 25 LYS QD 1 27 THR H . . 4.930 4.597 4.305 4.865 . 0 0 "[ . 1 . 2]" 1
479 1 25 LYS QD 1 45 ASP HB2 . . 4.700 3.768 3.433 4.328 . 0 0 "[ . 1 . 2]" 1
480 1 25 LYS QE 1 25 LYS QG . . 3.340 2.190 2.008 2.541 . 0 0 "[ . 1 . 2]" 1
481 1 25 LYS QE 1 45 ASP HA . . 4.340 3.520 3.104 4.304 . 0 0 "[ . 1 . 2]" 1
482 1 25 LYS QE 1 48 ASP QB . . 3.710 2.443 1.919 3.495 . 0 0 "[ . 1 . 2]" 1
483 1 25 LYS QE 1 49 ALA H . . 4.320 3.448 2.817 4.319 . 0 0 "[ . 1 . 2]" 1
484 1 25 LYS QE 1 49 ALA MB . . 4.360 3.674 3.276 4.334 . 0 0 "[ . 1 . 2]" 1
485 1 25 LYS HE2 1 49 ALA H . . 5.150 3.954 2.859 4.809 . 0 0 "[ . 1 . 2]" 1
486 1 25 LYS HE3 1 49 ALA H . . 5.150 4.230 3.083 5.071 . 0 0 "[ . 1 . 2]" 1
487 1 25 LYS QG 1 26 SER H . . 5.340 4.414 4.268 4.555 . 0 0 "[ . 1 . 2]" 1
488 1 25 LYS QG 1 45 ASP HB2 . . 4.530 3.851 3.671 4.219 . 0 0 "[ . 1 . 2]" 1
489 1 25 LYS QG 1 45 ASP HB3 . . 4.220 2.241 2.038 2.615 . 0 0 "[ . 1 . 2]" 1
490 1 25 LYS QG 1 48 ASP QB . . 4.960 4.027 3.416 4.958 . 0 0 "[ . 1 . 2]" 1
491 1 26 SER H 1 26 SER HB2 . . 4.150 2.764 2.223 3.639 . 0 0 "[ . 1 . 2]" 1
492 1 26 SER H 1 26 SER QB . . 3.530 2.466 2.200 2.908 . 0 0 "[ . 1 . 2]" 1
493 1 26 SER H 1 26 SER HB3 . . 4.150 3.092 2.465 3.702 . 0 0 "[ . 1 . 2]" 1
494 1 26 SER H 1 27 THR H . . 3.200 2.628 2.296 3.117 . 0 0 "[ . 1 . 2]" 1
495 1 26 SER H 1 27 THR HG1 . . 4.820 3.878 3.270 4.640 . 0 0 "[ . 1 . 2]" 1
496 1 26 SER H 1 27 THR MG . . 4.400 3.543 3.268 4.088 . 0 0 "[ . 1 . 2]" 1
497 1 26 SER HA 1 27 THR H . . 3.440 3.024 2.783 3.297 . 0 0 "[ . 1 . 2]" 1
498 1 26 SER QB 1 27 THR H . . 4.020 3.732 3.322 4.018 . 0 0 "[ . 1 . 2]" 1
499 1 26 SER HB2 1 27 THR H . . 4.710 4.285 3.895 4.567 . 0 0 "[ . 1 . 2]" 1
500 1 26 SER HB3 1 27 THR H . . 4.710 4.176 3.495 4.633 . 0 0 "[ . 1 . 2]" 1
501 1 27 THR H 1 27 THR HG1 . . 3.200 2.082 1.899 2.490 . 0 0 "[ . 1 . 2]" 1
502 1 27 THR H 1 27 THR MG . . 3.150 2.975 2.435 3.150 . 0 0 "[ . 1 . 2]" 1
503 1 27 THR H 1 28 SER H . . 4.630 4.489 4.402 4.585 . 0 0 "[ . 1 . 2]" 1
504 1 27 THR H 1 45 ASP HB2 . . 5.130 4.804 4.520 5.007 . 0 0 "[ . 1 . 2]" 1
505 1 27 THR H 1 45 ASP HB3 . . 4.630 4.360 4.122 4.616 . 0 0 "[ . 1 . 2]" 1
506 1 27 THR HA 1 27 THR MG . . 2.980 2.281 2.169 2.423 . 0 0 "[ . 1 . 2]" 1
507 1 27 THR HA 1 28 SER H . . 2.710 2.314 2.249 2.378 . 0 0 "[ . 1 . 2]" 1
508 1 27 THR HB 1 28 SER H . . 2.980 2.618 2.444 2.808 . 0 0 "[ . 1 . 2]" 1
509 1 27 THR HB 1 42 ALA H . . 4.110 3.878 3.528 4.098 . 0 0 "[ . 1 . 2]" 1
510 1 27 THR HB 1 42 ALA HA . . 3.690 2.202 2.014 2.498 . 0 0 "[ . 1 . 2]" 1
511 1 27 THR HB 1 42 ALA MB . . 3.320 2.438 2.150 2.763 . 0 0 "[ . 1 . 2]" 1
512 1 27 THR HG1 1 27 THR MG . . 3.210 2.763 2.371 3.018 . 0 0 "[ . 1 . 2]" 1
513 1 27 THR HG1 1 28 SER H . . 4.560 4.281 3.938 4.560 . 1 0 "[ . 1 . 2]" 1
514 1 27 THR HG1 1 42 ALA HA . . 4.380 3.293 2.728 3.617 . 0 0 "[ . 1 . 2]" 1
515 1 27 THR HG1 1 45 ASP HB2 . . 4.720 2.885 2.671 3.119 . 0 0 "[ . 1 . 2]" 1
516 1 27 THR HG1 1 45 ASP HB3 . . 4.500 2.869 2.703 3.273 . 0 0 "[ . 1 . 2]" 1
517 1 27 THR MG 1 28 SER H . . 3.810 3.618 3.334 3.810 . 0 0 "[ . 1 . 2]" 1
518 1 27 THR MG 1 41 LEU H . . 5.000 4.863 4.398 4.990 . 0 0 "[ . 1 . 2]" 1
519 1 27 THR MG 1 41 LEU HB2 . . 3.530 3.051 2.528 3.349 . 0 0 "[ . 1 . 2]" 1
520 1 27 THR MG 1 41 LEU HB3 . . 3.530 2.403 2.123 2.729 . 0 0 "[ . 1 . 2]" 1
521 1 27 THR MG 1 41 LEU MD2 . . 4.230 3.839 3.516 4.216 . 0 0 "[ . 1 . 2]" 1
522 1 27 THR MG 1 41 LEU HG . . 5.140 4.878 4.451 5.138 . 0 0 "[ . 1 . 2]" 1
523 1 27 THR MG 1 42 ALA H . . 4.280 3.948 3.593 4.245 . 0 0 "[ . 1 . 2]" 1
524 1 27 THR MG 1 45 ASP HB2 . . 4.730 3.506 3.031 3.719 . 0 0 "[ . 1 . 2]" 1
525 1 27 THR MG 1 45 ASP HB3 . . 4.390 4.101 3.695 4.374 . 0 0 "[ . 1 . 2]" 1
526 1 28 SER H 1 28 SER HB2 . . 4.140 3.770 2.924 4.076 . 0 0 "[ . 1 . 2]" 1
527 1 28 SER H 1 28 SER QB . . 3.560 3.216 2.838 3.389 . 0 0 "[ . 1 . 2]" 1
528 1 28 SER H 1 28 SER HB3 . . 4.140 3.573 3.108 3.947 . 0 0 "[ . 1 . 2]" 1
529 1 28 SER H 1 29 ILE H . . 4.400 4.293 4.203 4.361 . 0 0 "[ . 1 . 2]" 1
530 1 28 SER H 1 42 ALA MB . . 3.740 2.933 2.720 3.253 . 0 0 "[ . 1 . 2]" 1
531 1 28 SER HA 1 29 ILE H . . 3.170 2.334 2.235 2.479 . 0 0 "[ . 1 . 2]" 1
532 1 28 SER HA 1 29 ILE MG . . 4.900 3.731 3.572 3.907 . 0 0 "[ . 1 . 2]" 1
533 1 28 SER HA 1 42 ALA MB . . 4.450 3.102 2.767 3.399 . 0 0 "[ . 1 . 2]" 1
534 1 28 SER QB 1 29 ILE H . . 3.220 2.711 2.339 3.217 . 0 0 "[ . 1 . 2]" 1
535 1 28 SER HB2 1 29 ILE H . . 3.940 3.060 2.511 3.919 . 0 0 "[ . 1 . 2]" 1
536 1 28 SER HB3 1 29 ILE H . . 3.940 3.583 2.362 3.934 . 0 0 "[ . 1 . 2]" 1
537 1 29 ILE H 1 29 ILE MD . . 4.340 3.869 3.740 4.019 . 0 0 "[ . 1 . 2]" 1
538 1 29 ILE H 1 29 ILE HG12 . . 3.370 2.494 2.160 2.747 . 0 0 "[ . 1 . 2]" 1
539 1 29 ILE H 1 29 ILE HG13 . . 3.760 2.450 2.250 2.645 . 0 0 "[ . 1 . 2]" 1
540 1 29 ILE H 1 29 ILE MG . . 4.030 3.056 2.803 3.276 . 0 0 "[ . 1 . 2]" 1
541 1 29 ILE HB 1 29 ILE MD . . 3.590 2.237 2.105 2.347 . 0 0 "[ . 1 . 2]" 1
542 1 29 ILE HB 1 30 GLN H . . 3.860 2.407 1.934 3.029 . 0 0 "[ . 1 . 2]" 1
543 1 29 ILE HB 1 31 SER H . . 3.490 2.945 2.665 3.186 . 0 0 "[ . 1 . 2]" 1
544 1 29 ILE HB 1 37 ILE MD . . 3.850 3.576 3.324 3.835 . 0 0 "[ . 1 . 2]" 1
545 1 29 ILE HB 1 42 ALA MB . . 5.220 4.499 4.201 4.716 . 0 0 "[ . 1 . 2]" 1
546 1 29 ILE MD 1 29 ILE MG . . 3.070 2.331 2.066 2.454 . 0 0 "[ . 1 . 2]" 1
547 1 29 ILE MD 1 31 SER H . . 4.200 3.605 3.207 3.979 . 0 0 "[ . 1 . 2]" 1
548 1 29 ILE MD 1 32 PHE QD . . 4.680 3.630 3.321 4.019 . 0 0 "[ . 1 . 2]" 1
549 1 29 ILE MD 1 32 PHE QE . . 4.460 3.796 3.383 4.228 . 0 0 "[ . 1 . 2]" 1
550 1 29 ILE MD 1 37 ILE MD . . 3.920 3.049 2.784 3.332 . 0 0 "[ . 1 . 2]" 1
551 1 29 ILE MD 1 42 ALA MB . . 4.640 3.884 3.668 4.064 . 0 0 "[ . 1 . 2]" 1
552 1 29 ILE MD 1 107 PHE QD . . 4.570 3.377 2.966 3.722 . 0 0 "[ . 1 . 2]" 1
553 1 29 ILE MD 1 107 PHE QE . . 3.480 2.468 1.963 2.949 . 0 0 "[ . 1 . 2]" 1
554 1 29 ILE HG13 1 29 ILE MG . . 3.230 3.148 3.130 3.179 . 0 0 "[ . 1 . 2]" 1
555 1 29 ILE HG13 1 31 SER H . . 4.780 4.488 4.183 4.771 . 0 0 "[ . 1 . 2]" 1
556 1 29 ILE MG 1 30 GLN H . . 4.140 3.579 3.409 3.830 . 0 0 "[ . 1 . 2]" 1
557 1 29 ILE MG 1 31 SER H . . 4.530 4.351 4.106 4.519 . 0 0 "[ . 1 . 2]" 1
558 1 29 ILE MG 1 34 ASP HB2 . . 4.840 4.553 4.208 4.839 . 0 0 "[ . 1 . 2]" 1
559 1 29 ILE MG 1 34 ASP HB3 . . 4.770 3.589 3.370 3.796 . 0 0 "[ . 1 . 2]" 1
560 1 29 ILE MG 1 36 THR HB . . 5.280 3.475 2.849 4.641 . 0 0 "[ . 1 . 2]" 1
561 1 29 ILE MG 1 37 ILE H . . 4.560 3.594 3.036 4.156 . 0 0 "[ . 1 . 2]" 1
562 1 29 ILE MG 1 37 ILE HA . . 4.290 3.321 3.079 3.640 . 0 0 "[ . 1 . 2]" 1
563 1 29 ILE MG 1 37 ILE HB . . 4.910 4.531 4.242 4.875 . 0 0 "[ . 1 . 2]" 1
564 1 29 ILE MG 1 37 ILE MD . . 3.450 3.231 2.953 3.421 . 0 0 "[ . 1 . 2]" 1
565 1 29 ILE MG 1 37 ILE HG12 . . 4.070 2.424 1.987 2.844 . 0 0 "[ . 1 . 2]" 1
566 1 29 ILE MG 1 37 ILE HG13 . . 3.750 2.392 2.121 2.783 . 0 0 "[ . 1 . 2]" 1
567 1 29 ILE MG 1 42 ALA HA . . 4.730 4.479 4.139 4.689 . 0 0 "[ . 1 . 2]" 1
568 1 29 ILE MG 1 42 ALA MB . . 3.060 2.102 1.864 2.256 . 0 0 "[ . 1 . 2]" 1
569 1 29 ILE MG 1 107 PHE QE . . 3.950 3.557 3.312 3.846 . 0 0 "[ . 1 . 2]" 1
570 1 30 GLN H 1 30 GLN HB2 . . 3.660 2.462 2.221 2.660 . 0 0 "[ . 1 . 2]" 1
571 1 30 GLN H 1 30 GLN HB3 . . 3.950 3.652 3.516 3.790 . 0 0 "[ . 1 . 2]" 1
572 1 30 GLN H 1 30 GLN HG2 . . 4.200 3.498 2.361 4.200 0.000 19 0 "[ . 1 . 2]" 1
573 1 30 GLN H 1 30 GLN QG . . 3.590 2.956 2.336 3.576 . 0 0 "[ . 1 . 2]" 1
574 1 30 GLN H 1 30 GLN HG3 . . 4.200 3.583 2.429 4.194 . 0 0 "[ . 1 . 2]" 1
575 1 30 GLN H 1 31 SER H . . 3.150 2.115 1.821 2.468 . 0 0 "[ . 1 . 2]" 1
576 1 30 GLN H 1 34 ASP HB2 . . 4.000 2.944 2.638 3.237 . 0 0 "[ . 1 . 2]" 1
577 1 30 GLN H 1 34 ASP HB3 . . 4.390 3.458 2.981 3.868 . 0 0 "[ . 1 . 2]" 1
578 1 30 GLN HA 1 30 GLN HG2 . . 3.770 2.752 2.223 3.676 . 0 0 "[ . 1 . 2]" 1
579 1 30 GLN HA 1 30 GLN HG3 . . 3.770 3.292 2.299 3.783 0.013 15 0 "[ . 1 . 2]" 1
580 1 30 GLN HB2 1 31 SER H . . 3.710 2.769 2.581 2.951 . 0 0 "[ . 1 . 2]" 1
581 1 30 GLN HB2 1 34 ASP HB2 . . 4.310 2.924 2.429 3.288 . 0 0 "[ . 1 . 2]" 1
582 1 30 GLN HB2 1 34 ASP HB3 . . 4.800 4.286 3.695 4.743 . 0 0 "[ . 1 . 2]" 1
583 1 30 GLN HB3 1 31 SER H . . 4.020 3.617 3.383 3.881 . 0 0 "[ . 1 . 2]" 1
584 1 30 GLN HB3 1 34 ASP HB2 . . 4.760 4.385 3.989 4.742 . 0 0 "[ . 1 . 2]" 1
585 1 31 SER H 1 34 ASP H . . 3.960 3.544 3.255 3.815 . 0 0 "[ . 1 . 2]" 1
586 1 31 SER H 1 34 ASP HB2 . . 3.310 2.251 1.930 2.772 . 0 0 "[ . 1 . 2]" 1
587 1 31 SER H 1 34 ASP HB3 . . 3.760 3.340 2.829 3.757 . 0 0 "[ . 1 . 2]" 1
588 1 31 SER H 1 37 ILE MD . . 4.120 3.979 3.798 4.116 . 0 0 "[ . 1 . 2]" 1
589 1 31 SER HA 1 32 PHE H . . 3.140 2.547 2.457 2.635 . 0 0 "[ . 1 . 2]" 1
590 1 31 SER QB 1 32 PHE H . . 3.350 2.543 2.087 2.997 . 0 0 "[ . 1 . 2]" 1
591 1 31 SER QB 1 33 LYS H . . 3.450 2.518 2.157 3.120 . 0 0 "[ . 1 . 2]" 1
592 1 31 SER HB2 1 32 PHE H . . 3.930 3.173 2.104 3.911 . 0 0 "[ . 1 . 2]" 1
593 1 31 SER HB2 1 33 LYS H . . 4.120 3.502 2.511 4.049 . 0 0 "[ . 1 . 2]" 1
594 1 31 SER HB3 1 32 PHE H . . 3.930 3.170 2.292 3.801 . 0 0 "[ . 1 . 2]" 1
595 1 31 SER HB3 1 33 LYS H . . 4.120 2.946 2.167 4.024 . 0 0 "[ . 1 . 2]" 1
596 1 32 PHE H 1 32 PHE HB2 . . 3.700 2.689 2.543 2.833 . 0 0 "[ . 1 . 2]" 1
597 1 32 PHE H 1 32 PHE HB3 . . 3.970 3.604 3.547 3.644 . 0 0 "[ . 1 . 2]" 1
598 1 32 PHE H 1 32 PHE QD . . 4.000 2.905 2.466 3.131 . 0 0 "[ . 1 . 2]" 1
599 1 32 PHE H 1 33 LYS H . . 3.480 2.613 2.414 2.840 . 0 0 "[ . 1 . 2]" 1
600 1 32 PHE H 1 33 LYS HB2 . . 4.870 4.531 4.307 4.754 . 0 0 "[ . 1 . 2]" 1
601 1 32 PHE H 1 33 LYS HG3 . . 5.010 4.349 3.884 4.918 . 0 0 "[ . 1 . 2]" 1
602 1 32 PHE H 1 34 ASP H . . 4.780 4.297 3.928 4.692 . 0 0 "[ . 1 . 2]" 1
603 1 32 PHE H 1 37 ILE MD . . 5.210 4.232 4.118 4.369 . 0 0 "[ . 1 . 2]" 1
604 1 32 PHE HB2 1 33 LYS H . . 4.630 3.518 3.104 3.995 . 0 0 "[ . 1 . 2]" 1
605 1 32 PHE HB2 1 33 LYS HG3 . . 4.850 3.632 3.282 4.002 . 0 0 "[ . 1 . 2]" 1
606 1 32 PHE HB2 1 100 PRO HA . . 4.690 2.693 2.106 3.219 . 0 0 "[ . 1 . 2]" 1
607 1 32 PHE HB2 1 100 PRO HB3 . . 4.710 2.853 2.391 3.572 . 0 0 "[ . 1 . 2]" 1
608 1 32 PHE HB2 1 103 VAL HB . . 4.790 4.195 3.646 4.524 . 0 0 "[ . 1 . 2]" 1
609 1 32 PHE HB2 1 103 VAL MG1 . . 4.660 4.155 3.829 4.556 . 0 0 "[ . 1 . 2]" 1
610 1 32 PHE HB2 1 104 MET H . . 5.350 4.978 4.462 5.311 . 0 0 "[ . 1 . 2]" 1
611 1 32 PHE HB2 1 104 MET HA . . 5.020 4.622 3.910 5.022 0.002 14 0 "[ . 1 . 2]" 1
612 1 32 PHE HB3 1 100 PRO HA . . 4.440 2.340 2.015 2.678 . 0 0 "[ . 1 . 2]" 1
613 1 32 PHE HB3 1 100 PRO HB2 . . 4.600 4.380 4.013 4.602 0.002 11 0 "[ . 1 . 2]" 1
614 1 32 PHE HB3 1 100 PRO HB3 . . 4.600 3.672 3.292 4.052 . 0 0 "[ . 1 . 2]" 1
615 1 32 PHE HB3 1 103 VAL HB . . 4.510 2.598 2.187 2.955 . 0 0 "[ . 1 . 2]" 1
616 1 32 PHE HB3 1 103 VAL MG1 . . 3.940 2.693 2.325 3.224 . 0 0 "[ . 1 . 2]" 1
617 1 32 PHE HB3 1 103 VAL MG2 . . 4.480 4.057 3.643 4.363 . 0 0 "[ . 1 . 2]" 1
618 1 32 PHE HB3 1 104 MET H . . 4.700 3.784 3.352 4.101 . 0 0 "[ . 1 . 2]" 1
619 1 32 PHE QD 1 103 VAL HB . . 4.780 3.959 3.602 4.502 . 0 0 "[ . 1 . 2]" 1
620 1 32 PHE QD 1 103 VAL MG1 . . 3.810 2.380 1.979 2.916 . 0 0 "[ . 1 . 2]" 1
621 1 32 PHE QD 1 104 MET QB . . 4.830 3.244 2.236 3.935 . 0 0 "[ . 1 . 2]" 1
622 1 32 PHE QE 1 104 MET HA . . 5.130 3.037 2.238 3.388 . 0 0 "[ . 1 . 2]" 1
623 1 32 PHE QE 1 107 PHE H . . 5.050 4.564 4.031 4.979 . 0 0 "[ . 1 . 2]" 1
624 1 32 PHE QE 1 107 PHE HB2 . . 4.730 2.819 2.393 3.352 . 0 0 "[ . 1 . 2]" 1
625 1 32 PHE QE 1 107 PHE QB . . 3.890 2.730 2.336 3.253 . 0 0 "[ . 1 . 2]" 1
626 1 32 PHE QE 1 107 PHE HB3 . . 4.730 3.679 3.137 4.396 . 0 0 "[ . 1 . 2]" 1
627 1 32 PHE QE 1 107 PHE QD . . 4.410 2.698 2.146 3.380 . 0 0 "[ . 1 . 2]" 1
628 1 32 PHE HZ 1 104 MET HA . . 4.410 3.791 2.947 4.400 . 0 0 "[ . 1 . 2]" 1
629 1 32 PHE HZ 1 104 MET QG . . 5.100 3.743 2.865 5.103 0.003 15 0 "[ . 1 . 2]" 1
630 1 33 LYS H 1 33 LYS HB2 . . 3.500 2.431 2.290 2.570 . 0 0 "[ . 1 . 2]" 1
631 1 33 LYS H 1 33 LYS HB3 . . 3.830 3.645 3.560 3.734 . 0 0 "[ . 1 . 2]" 1
632 1 33 LYS H 1 33 LYS QE . . 5.350 4.863 4.047 5.333 . 0 0 "[ . 1 . 2]" 1
633 1 33 LYS H 1 33 LYS HG2 . . 4.330 3.932 3.506 4.276 . 0 0 "[ . 1 . 2]" 1
634 1 33 LYS H 1 33 LYS HG3 . . 4.270 3.156 2.858 3.394 . 0 0 "[ . 1 . 2]" 1
635 1 33 LYS H 1 34 ASP H . . 3.100 2.212 1.807 2.776 . 0 0 "[ . 1 . 2]" 1
636 1 33 LYS H 1 34 ASP HA . . 4.820 4.590 4.448 4.775 . 0 0 "[ . 1 . 2]" 1
637 1 33 LYS H 1 34 ASP HB2 . . 4.270 3.975 3.771 4.242 . 0 0 "[ . 1 . 2]" 1
638 1 33 LYS H 1 34 ASP HB3 . . 4.890 4.746 4.380 4.892 0.002 10 0 "[ . 1 . 2]" 1
639 1 33 LYS H 1 37 ILE MD . . 4.800 3.715 3.273 4.053 . 0 0 "[ . 1 . 2]" 1
640 1 33 LYS H 1 98 VAL MG1 . . 4.810 4.117 3.684 4.566 . 0 0 "[ . 1 . 2]" 1
641 1 33 LYS HA 1 33 LYS HG3 . . 4.250 3.131 2.788 3.331 . 0 0 "[ . 1 . 2]" 1
642 1 33 LYS HA 1 98 VAL MG1 . . 3.410 2.622 2.203 2.959 . 0 0 "[ . 1 . 2]" 1
643 1 33 LYS HA 1 100 PRO HB3 . . 4.460 3.474 2.942 3.769 . 0 0 "[ . 1 . 2]" 1
644 1 33 LYS HA 1 100 PRO HG3 . . 4.470 4.263 3.708 4.473 0.003 16 0 "[ . 1 . 2]" 1
645 1 33 LYS HB2 1 33 LYS QE . . 4.510 3.195 2.284 4.072 . 0 0 "[ . 1 . 2]" 1
646 1 33 LYS HB2 1 34 ASP H . . 4.930 3.448 2.869 4.213 . 0 0 "[ . 1 . 2]" 1
647 1 33 LYS HB2 1 98 VAL MG1 . . 5.480 4.948 4.640 5.404 . 0 0 "[ . 1 . 2]" 1
648 1 33 LYS HB2 1 100 PRO HB3 . . 4.900 4.595 4.211 4.830 . 0 0 "[ . 1 . 2]" 1
649 1 33 LYS QD 1 100 PRO HB3 . . 4.820 3.756 3.332 4.129 . 0 0 "[ . 1 . 2]" 1
650 1 33 LYS QD 1 100 PRO HG2 . . 4.920 4.604 4.133 4.919 . 0 0 "[ . 1 . 2]" 1
651 1 33 LYS QD 1 100 PRO HG3 . . 4.540 3.266 2.712 3.762 . 0 0 "[ . 1 . 2]" 1
652 1 33 LYS QE 1 100 PRO HB3 . . 5.500 4.186 2.635 5.044 . 0 0 "[ . 1 . 2]" 1
653 1 33 LYS HG2 1 100 PRO HB3 . . 3.940 2.435 2.013 2.846 . 0 0 "[ . 1 . 2]" 1
654 1 33 LYS HG2 1 100 PRO HG2 . . 4.320 4.177 3.750 4.319 . 0 0 "[ . 1 . 2]" 1
655 1 33 LYS HG2 1 100 PRO HG3 . . 4.310 2.549 2.085 2.845 . 0 0 "[ . 1 . 2]" 1
656 1 33 LYS HG3 1 100 PRO HB2 . . 4.690 3.716 3.289 4.093 . 0 0 "[ . 1 . 2]" 1
657 1 33 LYS HG3 1 100 PRO HB3 . . 4.070 2.605 2.010 3.110 . 0 0 "[ . 1 . 2]" 1
658 1 33 LYS HG3 1 100 PRO HG3 . . 4.930 3.618 3.032 4.197 . 0 0 "[ . 1 . 2]" 1
659 1 34 ASP H 1 34 ASP HB2 . . 3.810 2.369 2.191 2.721 . 0 0 "[ . 1 . 2]" 1
660 1 34 ASP H 1 34 ASP HB3 . . 3.800 2.827 2.619 3.031 . 0 0 "[ . 1 . 2]" 1
661 1 34 ASP H 1 35 LYS H . . 4.740 4.616 4.547 4.648 . 0 0 "[ . 1 . 2]" 1
662 1 34 ASP H 1 37 ILE MD . . 3.960 2.931 2.353 3.403 . 0 0 "[ . 1 . 2]" 1
663 1 34 ASP H 1 98 VAL MG1 . . 4.770 3.373 2.605 3.952 . 0 0 "[ . 1 . 2]" 1
664 1 34 ASP HA 1 35 LYS H . . 2.750 2.296 2.215 2.435 . 0 0 "[ . 1 . 2]" 1
665 1 34 ASP HA 1 35 LYS HB2 . . 4.970 4.750 4.681 4.853 . 0 0 "[ . 1 . 2]" 1
666 1 34 ASP HA 1 35 LYS QG . . 4.370 3.446 3.252 3.553 . 0 0 "[ . 1 . 2]" 1
667 1 34 ASP HA 1 37 ILE MD . . 4.980 4.701 4.332 4.924 . 0 0 "[ . 1 . 2]" 1
668 1 34 ASP HB2 1 35 LYS H . . 4.390 4.075 3.943 4.189 . 0 0 "[ . 1 . 2]" 1
669 1 34 ASP HB2 1 37 ILE MD . . 4.060 3.708 3.220 3.899 . 0 0 "[ . 1 . 2]" 1
670 1 34 ASP HB3 1 35 LYS H . . 4.380 3.593 3.154 3.880 . 0 0 "[ . 1 . 2]" 1
671 1 34 ASP HB3 1 36 THR H . . 4.760 2.653 2.503 2.834 . 0 0 "[ . 1 . 2]" 1
672 1 34 ASP HB3 1 37 ILE H . . 4.680 3.336 2.899 3.774 . 0 0 "[ . 1 . 2]" 1
673 1 34 ASP HB3 1 37 ILE MD . . 3.680 2.915 2.563 3.160 . 0 0 "[ . 1 . 2]" 1
674 1 34 ASP HB3 1 37 ILE HG12 . . 4.870 4.441 4.007 4.788 . 0 0 "[ . 1 . 2]" 1
675 1 34 ASP HB3 1 37 ILE HG13 . . 4.530 2.933 2.481 3.235 . 0 0 "[ . 1 . 2]" 1
676 1 35 LYS H 1 35 LYS HB2 . . 3.060 2.547 2.483 2.663 . 0 0 "[ . 1 . 2]" 1
677 1 35 LYS H 1 35 LYS HB3 . . 3.820 3.656 3.627 3.712 . 0 0 "[ . 1 . 2]" 1
678 1 35 LYS H 1 35 LYS QD . . 4.660 3.935 3.358 4.247 . 0 0 "[ . 1 . 2]" 1
679 1 35 LYS H 1 35 LYS QG . . 3.290 2.355 2.079 2.654 . 0 0 "[ . 1 . 2]" 1
680 1 35 LYS H 1 36 THR MG . . 4.490 3.495 2.899 4.029 . 0 0 "[ . 1 . 2]" 1
681 1 35 LYS H 1 98 VAL MG1 . . 5.200 4.686 4.451 4.917 . 0 0 "[ . 1 . 2]" 1
682 1 35 LYS H 1 98 VAL MG2 . . 5.500 5.033 4.692 5.289 . 0 0 "[ . 1 . 2]" 1
683 1 35 LYS HA 1 35 LYS QD . . 3.660 2.326 2.035 3.073 . 0 0 "[ . 1 . 2]" 1
684 1 35 LYS HA 1 35 LYS QG . . 3.670 2.851 2.753 3.025 . 0 0 "[ . 1 . 2]" 1
685 1 35 LYS HA 1 37 ILE H . . 4.300 3.834 3.394 4.267 . 0 0 "[ . 1 . 2]" 1
686 1 35 LYS HA 1 38 SER H . . 4.130 3.773 3.645 3.900 . 0 0 "[ . 1 . 2]" 1
687 1 35 LYS HA 1 98 VAL HB . . 4.650 4.346 3.876 4.647 . 0 0 "[ . 1 . 2]" 1
688 1 35 LYS HA 1 98 VAL MG1 . . 3.820 3.512 3.153 3.752 . 0 0 "[ . 1 . 2]" 1
689 1 35 LYS HA 1 98 VAL MG2 . . 3.180 2.783 2.277 3.073 . 0 0 "[ . 1 . 2]" 1
690 1 35 LYS HB2 1 36 THR H . . 4.060 3.970 3.670 4.054 . 0 0 "[ . 1 . 2]" 1
691 1 35 LYS HB3 1 35 LYS QD . . 3.530 2.436 2.087 2.769 . 0 0 "[ . 1 . 2]" 1
692 1 35 LYS HB3 1 35 LYS QE . . 4.390 3.012 1.997 4.099 . 0 0 "[ . 1 . 2]" 1
693 1 35 LYS QD 1 98 VAL HB . . 4.590 4.284 3.736 4.589 . 0 0 "[ . 1 . 2]" 1
694 1 35 LYS QD 1 98 VAL MG2 . . 3.980 3.410 2.919 3.942 . 0 0 "[ . 1 . 2]" 1
695 1 35 LYS QE 1 35 LYS QG . . 3.470 2.262 2.076 2.447 . 0 0 "[ . 1 . 2]" 1
696 1 35 LYS QE 1 98 VAL MG2 . . 4.370 4.064 2.716 4.372 0.002 10 0 "[ . 1 . 2]" 1
697 1 35 LYS QG 1 36 THR H . . 4.520 4.474 4.399 4.522 0.002 10 0 "[ . 1 . 2]" 1
698 1 35 LYS QG 1 98 VAL MG1 . . 5.390 4.775 4.496 5.076 . 0 0 "[ . 1 . 2]" 1
699 1 35 LYS QG 1 98 VAL MG2 . . 5.500 4.713 4.282 4.995 . 0 0 "[ . 1 . 2]" 1
700 1 36 THR H 1 36 THR HG1 . . 3.720 2.604 1.903 3.771 0.051 12 0 "[ . 1 . 2]" 1
701 1 36 THR H 1 36 THR MG . . 3.010 2.697 1.856 2.989 . 0 0 "[ . 1 . 2]" 1
702 1 36 THR H 1 37 ILE H . . 3.350 2.111 1.991 2.370 . 0 0 "[ . 1 . 2]" 1
703 1 36 THR H 1 37 ILE HB . . 4.730 4.422 4.329 4.586 . 0 0 "[ . 1 . 2]" 1
704 1 36 THR H 1 38 SER H . . 4.620 3.875 3.704 4.109 . 0 0 "[ . 1 . 2]" 1
705 1 36 THR H 1 98 VAL MG1 . . 4.980 3.975 3.701 4.401 . 0 0 "[ . 1 . 2]" 1
706 1 36 THR H 1 98 VAL MG2 . . 5.320 4.078 3.823 4.583 . 0 0 "[ . 1 . 2]" 1
707 1 36 THR HA 1 36 THR MG . . 3.370 2.358 2.064 3.118 . 0 0 "[ . 1 . 2]" 1
708 1 36 THR HA 1 38 SER H . . 4.790 3.996 3.666 4.210 . 0 0 "[ . 1 . 2]" 1
709 1 36 THR HA 1 39 SER H . . 4.030 3.733 3.562 3.925 . 0 0 "[ . 1 . 2]" 1
710 1 36 THR MG 1 37 ILE H . . 4.390 3.989 2.906 4.262 . 0 0 "[ . 1 . 2]" 1
711 1 37 ILE H 1 37 ILE HB . . 3.170 2.598 2.530 2.644 . 0 0 "[ . 1 . 2]" 1
712 1 37 ILE H 1 37 ILE MD . . 3.630 3.271 3.090 3.562 . 0 0 "[ . 1 . 2]" 1
713 1 37 ILE H 1 37 ILE HG12 . . 3.660 3.507 3.319 3.634 . 0 0 "[ . 1 . 2]" 1
714 1 37 ILE H 1 37 ILE HG13 . . 3.380 2.032 1.907 2.245 . 0 0 "[ . 1 . 2]" 1
715 1 37 ILE H 1 37 ILE MG . . 4.050 3.773 3.762 3.807 . 0 0 "[ . 1 . 2]" 1
716 1 37 ILE H 1 38 SER H . . 3.390 2.573 2.252 2.809 . 0 0 "[ . 1 . 2]" 1
717 1 37 ILE H 1 39 SER H . . 4.830 4.252 3.914 4.452 . 0 0 "[ . 1 . 2]" 1
718 1 37 ILE H 1 98 VAL MG1 . . 3.970 3.196 2.904 3.440 . 0 0 "[ . 1 . 2]" 1
719 1 37 ILE H 1 98 VAL MG2 . . 4.230 3.164 2.826 3.436 . 0 0 "[ . 1 . 2]" 1
720 1 37 ILE HA 1 37 ILE MD . . 4.020 3.904 3.872 3.936 . 0 0 "[ . 1 . 2]" 1
721 1 37 ILE HA 1 37 ILE HG12 . . 3.790 2.768 2.620 2.836 . 0 0 "[ . 1 . 2]" 1
722 1 37 ILE HA 1 37 ILE HG13 . . 3.680 2.846 2.719 2.996 . 0 0 "[ . 1 . 2]" 1
723 1 37 ILE HA 1 37 ILE MG . . 3.370 2.351 2.239 2.436 . 0 0 "[ . 1 . 2]" 1
724 1 37 ILE HA 1 39 SER H . . 4.870 3.844 3.437 4.116 . 0 0 "[ . 1 . 2]" 1
725 1 37 ILE HA 1 98 VAL MG1 . . 4.820 4.600 4.448 4.807 . 0 0 "[ . 1 . 2]" 1
726 1 37 ILE HB 1 37 ILE MD . . 3.420 2.200 2.107 2.363 . 0 0 "[ . 1 . 2]" 1
727 1 37 ILE HB 1 38 SER H . . 3.890 2.840 2.673 3.109 . 0 0 "[ . 1 . 2]" 1
728 1 37 ILE HB 1 95 LEU MD2 . . 5.500 4.626 3.974 5.148 . 0 0 "[ . 1 . 2]" 1
729 1 37 ILE HB 1 98 VAL H . . 5.500 4.817 4.547 5.058 . 0 0 "[ . 1 . 2]" 1
730 1 37 ILE HB 1 98 VAL MG1 . . 3.400 2.030 1.955 2.287 . 0 0 "[ . 1 . 2]" 1
731 1 37 ILE HB 1 98 VAL MG2 . . 3.570 2.154 1.976 2.422 . 0 0 "[ . 1 . 2]" 1
732 1 37 ILE MD 1 37 ILE MG . . 2.980 2.336 2.144 2.501 . 0 0 "[ . 1 . 2]" 1
733 1 37 ILE MD 1 38 SER H . . 4.860 4.480 4.334 4.706 . 0 0 "[ . 1 . 2]" 1
734 1 37 ILE MD 1 98 VAL HA . . 4.880 3.487 3.112 3.711 . 0 0 "[ . 1 . 2]" 1
735 1 37 ILE MD 1 98 VAL MG1 . . 3.220 1.867 1.750 2.140 . 0 0 "[ . 1 . 2]" 1
736 1 37 ILE MD 1 98 VAL MG2 . . 3.700 3.363 3.207 3.652 . 0 0 "[ . 1 . 2]" 1
737 1 37 ILE MD 1 107 PHE QD . . 4.670 4.140 3.543 4.587 . 0 0 "[ . 1 . 2]" 1
738 1 37 ILE MD 1 107 PHE QE . . 3.450 2.586 1.985 3.141 . 0 0 "[ . 1 . 2]" 1
739 1 37 ILE HG12 1 107 PHE QE . . 4.750 2.925 2.405 3.601 . 0 0 "[ . 1 . 2]" 1
740 1 37 ILE HG13 1 37 ILE MG . . 3.680 3.159 3.134 3.187 . 0 0 "[ . 1 . 2]" 1
741 1 37 ILE HG13 1 38 SER H . . 4.410 4.204 4.098 4.298 . 0 0 "[ . 1 . 2]" 1
742 1 37 ILE HG13 1 42 ALA MB . . 4.890 4.696 4.525 4.843 . 0 0 "[ . 1 . 2]" 1
743 1 37 ILE HG13 1 98 VAL MG1 . . 3.880 3.276 3.007 3.624 . 0 0 "[ . 1 . 2]" 1
744 1 37 ILE HG13 1 98 VAL MG2 . . 4.360 4.079 3.785 4.353 . 0 0 "[ . 1 . 2]" 1
745 1 37 ILE HG13 1 107 PHE QE . . 5.170 4.438 3.843 5.076 . 0 0 "[ . 1 . 2]" 1
746 1 37 ILE MG 1 38 SER H . . 4.000 3.720 3.521 3.876 . 0 0 "[ . 1 . 2]" 1
747 1 37 ILE MG 1 39 SER H . . 4.870 4.666 4.370 4.862 . 0 0 "[ . 1 . 2]" 1
748 1 37 ILE MG 1 40 SER H . . 4.400 3.675 3.541 3.913 . 0 0 "[ . 1 . 2]" 1
749 1 37 ILE MG 1 40 SER HA . . 4.560 3.507 3.262 3.807 . 0 0 "[ . 1 . 2]" 1
750 1 37 ILE MG 1 43 VAL MG2 . . 3.260 2.573 2.364 2.819 . 0 0 "[ . 1 . 2]" 1
751 1 37 ILE MG 1 98 VAL H . . 4.620 4.334 3.947 4.616 . 0 0 "[ . 1 . 2]" 1
752 1 37 ILE MG 1 98 VAL HA . . 4.410 3.106 2.754 3.341 . 0 0 "[ . 1 . 2]" 1
753 1 37 ILE MG 1 98 VAL MG1 . . 3.580 3.106 2.843 3.325 . 0 0 "[ . 1 . 2]" 1
754 1 37 ILE MG 1 98 VAL MG2 . . 3.450 3.237 3.004 3.421 . 0 0 "[ . 1 . 2]" 1
755 1 37 ILE MG 1 103 VAL MG1 . . 3.230 2.159 1.944 2.593 . 0 0 "[ . 1 . 2]" 1
756 1 37 ILE MG 1 107 PHE QE . . 3.640 3.016 2.691 3.403 . 0 0 "[ . 1 . 2]" 1
757 1 38 SER H 1 38 SER HB2 . . 3.940 3.554 2.897 3.596 . 0 0 "[ . 1 . 2]" 1
758 1 38 SER H 1 38 SER HB3 . . 3.480 2.466 2.232 2.573 . 0 0 "[ . 1 . 2]" 1
759 1 38 SER H 1 96 VAL HA . . 5.400 5.110 4.799 5.369 . 0 0 "[ . 1 . 2]" 1
760 1 38 SER H 1 98 VAL MG2 . . 3.230 2.099 1.856 2.368 . 0 0 "[ . 1 . 2]" 1
761 1 38 SER HA 1 96 VAL HA . . 3.640 2.412 2.086 2.724 . 0 0 "[ . 1 . 2]" 1
762 1 38 SER HB2 1 96 VAL HA . . 4.390 3.150 2.797 3.444 . 0 0 "[ . 1 . 2]" 1
763 1 38 SER HB2 1 96 VAL MG1 . . 4.250 3.373 2.968 3.735 . 0 0 "[ . 1 . 2]" 1
764 1 38 SER HB2 1 96 VAL MG2 . . 4.850 4.603 4.309 4.849 . 0 0 "[ . 1 . 2]" 1
765 1 38 SER HB2 1 98 VAL MG2 . . 3.370 3.241 2.289 3.370 . 0 0 "[ . 1 . 2]" 1
766 1 38 SER HB3 1 70 LYS QD . . 4.400 3.972 3.705 4.386 . 0 0 "[ . 1 . 2]" 1
767 1 38 SER HB3 1 96 VAL HA . . 4.420 3.956 3.656 4.293 . 0 0 "[ . 1 . 2]" 1
768 1 38 SER HB3 1 96 VAL MG1 . . 4.630 4.374 4.090 4.628 . 0 0 "[ . 1 . 2]" 1
769 1 38 SER HB3 1 98 VAL MG1 . . 4.910 4.374 4.163 4.910 . 0 0 "[ . 1 . 2]" 1
770 1 38 SER HB3 1 98 VAL MG2 . . 3.670 2.077 1.872 2.910 . 0 0 "[ . 1 . 2]" 1
771 1 39 SER H 1 39 SER HB3 . . 3.060 2.512 2.381 2.811 . 0 0 "[ . 1 . 2]" 1
772 1 39 SER H 1 39 SER HG . . 3.540 2.453 2.193 3.284 . 0 0 "[ . 1 . 2]" 1
773 1 39 SER H 1 40 SER H . . 3.000 2.445 2.253 2.546 . 0 0 "[ . 1 . 2]" 1
774 1 39 SER H 1 41 LEU H . . 4.220 4.076 3.859 4.196 . 0 0 "[ . 1 . 2]" 1
775 1 39 SER H 1 41 LEU MD1 . . 5.130 4.832 4.535 5.026 . 0 0 "[ . 1 . 2]" 1
776 1 39 SER H 1 41 LEU HG . . 4.860 4.772 4.580 4.860 0.000 10 0 "[ . 1 . 2]" 1
777 1 39 SER H 1 65 LEU MD1 . . 4.500 4.327 4.147 4.479 . 0 0 "[ . 1 . 2]" 1
778 1 39 SER H 1 98 VAL MG2 . . 4.660 4.345 4.158 4.499 . 0 0 "[ . 1 . 2]" 1
779 1 39 SER HA 1 41 LEU H . . 4.490 4.424 4.377 4.469 . 0 0 "[ . 1 . 2]" 1
780 1 39 SER HA 1 41 LEU MD1 . . 4.610 4.342 4.153 4.596 . 0 0 "[ . 1 . 2]" 1
781 1 39 SER HA 1 65 LEU MD1 . . 3.620 2.102 1.941 2.303 . 0 0 "[ . 1 . 2]" 1
782 1 39 SER HA 1 65 LEU MD2 . . 4.820 4.712 4.559 4.821 0.001 12 0 "[ . 1 . 2]" 1
783 1 39 SER HA 1 70 LYS HA . . 4.400 3.228 2.918 3.531 . 0 0 "[ . 1 . 2]" 1
784 1 39 SER HA 1 70 LYS QB . . 4.770 4.019 3.589 4.401 . 0 0 "[ . 1 . 2]" 1
785 1 39 SER HA 1 70 LYS HG2 . . 4.840 2.630 2.115 2.981 . 0 0 "[ . 1 . 2]" 1
786 1 39 SER HA 1 70 LYS HG3 . . 4.440 4.193 3.739 4.432 . 0 0 "[ . 1 . 2]" 1
787 1 39 SER HA 1 73 ASN HD21 . . 5.140 4.768 4.379 5.022 . 0 0 "[ . 1 . 2]" 1
788 1 39 SER HA 1 73 ASN HD22 . . 5.500 5.380 5.098 5.500 . 0 0 "[ . 1 . 2]" 1
789 1 39 SER HB2 1 41 LEU H . . 4.630 3.654 3.491 3.792 . 0 0 "[ . 1 . 2]" 1
790 1 39 SER HB2 1 41 LEU MD1 . . 4.300 2.216 1.978 2.434 . 0 0 "[ . 1 . 2]" 1
791 1 39 SER HB2 1 41 LEU HG . . 3.880 2.129 2.003 2.364 . 0 0 "[ . 1 . 2]" 1
792 1 39 SER HB2 1 65 LEU MD1 . . 3.350 1.963 1.842 2.120 . 0 0 "[ . 1 . 2]" 1
793 1 39 SER HB2 1 65 LEU MD2 . . 4.940 4.396 4.063 4.595 . 0 0 "[ . 1 . 2]" 1
794 1 39 SER HB2 1 73 ASN HD21 . . 4.800 4.396 3.933 4.679 . 0 0 "[ . 1 . 2]" 1
795 1 39 SER HB2 1 73 ASN HD22 . . 5.380 4.961 4.624 5.251 . 0 0 "[ . 1 . 2]" 1
796 1 39 SER HB3 1 41 LEU H . . 4.670 4.294 4.189 4.477 . 0 0 "[ . 1 . 2]" 1
797 1 39 SER HB3 1 41 LEU MD1 . . 3.520 3.083 2.812 3.293 . 0 0 "[ . 1 . 2]" 1
798 1 39 SER HB3 1 41 LEU HG . . 3.890 3.595 3.471 3.752 . 0 0 "[ . 1 . 2]" 1
799 1 39 SER HB3 1 65 LEU MD1 . . 3.870 2.930 2.498 3.223 . 0 0 "[ . 1 . 2]" 1
800 1 39 SER HG 1 41 LEU H . . 3.670 2.542 1.905 3.136 . 0 0 "[ . 1 . 2]" 1
801 1 39 SER HG 1 41 LEU QB . . 4.570 3.178 2.774 3.414 . 0 0 "[ . 1 . 2]" 1
802 1 39 SER HG 1 41 LEU MD1 . . 4.000 3.156 2.656 3.551 . 0 0 "[ . 1 . 2]" 1
803 1 39 SER HG 1 41 LEU HG . . 4.740 3.119 2.825 3.375 . 0 0 "[ . 1 . 2]" 1
804 1 39 SER HG 1 65 LEU MD1 . . 4.640 4.185 3.979 4.380 . 0 0 "[ . 1 . 2]" 1
805 1 40 SER H 1 40 SER HA . . 2.890 2.276 2.274 2.283 . 0 0 "[ . 1 . 2]" 1
806 1 40 SER H 1 40 SER HB3 . . 4.030 4.010 3.959 4.032 0.002 12 0 "[ . 1 . 2]" 1
807 1 40 SER H 1 40 SER HG . . 3.990 3.144 2.399 3.655 . 0 0 "[ . 1 . 2]" 1
808 1 40 SER H 1 41 LEU H . . 3.660 2.669 2.592 2.795 . 0 0 "[ . 1 . 2]" 1
809 1 40 SER H 1 41 LEU HG . . 4.500 4.269 4.161 4.448 . 0 0 "[ . 1 . 2]" 1
810 1 40 SER H 1 42 ALA H . . 4.570 4.271 4.112 4.431 . 0 0 "[ . 1 . 2]" 1
811 1 40 SER H 1 43 VAL HB . . 5.500 5.385 5.185 5.487 . 0 0 "[ . 1 . 2]" 1
812 1 40 SER H 1 43 VAL MG2 . . 4.260 4.137 3.930 4.249 . 0 0 "[ . 1 . 2]" 1
813 1 40 SER HA 1 42 ALA H . . 4.460 3.795 3.627 3.940 . 0 0 "[ . 1 . 2]" 1
814 1 40 SER HA 1 43 VAL H . . 4.280 3.253 3.125 3.384 . 0 0 "[ . 1 . 2]" 1
815 1 40 SER HA 1 43 VAL MG2 . . 3.950 2.520 2.140 2.852 . 0 0 "[ . 1 . 2]" 1
816 1 40 SER HB2 1 44 VAL MG2 . . 4.540 3.698 3.407 3.922 . 0 0 "[ . 1 . 2]" 1
817 1 40 SER HB2 1 73 ASN H . . 4.960 4.773 4.539 4.951 . 0 0 "[ . 1 . 2]" 1
818 1 40 SER HB2 1 73 ASN HB2 . . 4.500 2.550 2.018 2.747 . 0 0 "[ . 1 . 2]" 1
819 1 40 SER HB2 1 73 ASN HB3 . . 3.890 2.109 2.002 2.344 . 0 0 "[ . 1 . 2]" 1
820 1 40 SER HB2 1 73 ASN HD21 . . 4.650 3.785 3.438 4.026 . 0 0 "[ . 1 . 2]" 1
821 1 40 SER HB2 1 73 ASN HD22 . . 5.500 5.279 4.854 5.498 . 0 0 "[ . 1 . 2]" 1
822 1 40 SER HB2 1 74 ALA H . . 4.840 3.281 3.001 3.639 . 0 0 "[ . 1 . 2]" 1
823 1 40 SER HB2 1 77 ALA MB . . 4.370 3.972 3.696 4.313 . 0 0 "[ . 1 . 2]" 1
824 1 40 SER HB3 1 43 VAL HB . . 4.600 3.287 3.010 3.718 . 0 0 "[ . 1 . 2]" 1
825 1 40 SER HB3 1 43 VAL MG2 . . 4.640 3.719 3.199 4.097 . 0 0 "[ . 1 . 2]" 1
826 1 40 SER HB3 1 44 VAL MG2 . . 4.080 3.171 2.912 3.344 . 0 0 "[ . 1 . 2]" 1
827 1 40 SER HB3 1 73 ASN HB3 . . 4.500 3.588 3.187 3.818 . 0 0 "[ . 1 . 2]" 1
828 1 40 SER HB3 1 73 ASN HD21 . . 5.500 5.305 4.917 5.491 . 0 0 "[ . 1 . 2]" 1
829 1 40 SER HB3 1 74 ALA H . . 4.270 4.022 3.591 4.266 . 0 0 "[ . 1 . 2]" 1
830 1 40 SER HB3 1 74 ALA HA . . 4.600 2.323 2.042 2.539 . 0 0 "[ . 1 . 2]" 1
831 1 40 SER HB3 1 77 ALA H . . 4.900 4.366 4.013 4.827 . 0 0 "[ . 1 . 2]" 1
832 1 40 SER HB3 1 77 ALA MB . . 3.580 2.796 2.579 3.080 . 0 0 "[ . 1 . 2]" 1
833 1 40 SER HB3 1 95 LEU MD1 . . 4.450 3.574 2.871 4.160 . 0 0 "[ . 1 . 2]" 1
834 1 40 SER HG 1 74 ALA H . . 4.530 3.642 2.202 4.462 . 0 0 "[ . 1 . 2]" 1
835 1 40 SER HG 1 74 ALA HA . . 4.370 2.948 2.288 3.693 . 0 0 "[ . 1 . 2]" 1
836 1 40 SER HG 1 74 ALA MB . . 3.880 2.546 1.980 3.124 . 0 0 "[ . 1 . 2]" 1
837 1 40 SER HG 1 77 ALA MB . . 5.050 4.529 3.825 5.019 . 0 0 "[ . 1 . 2]" 1
838 1 40 SER HG 1 95 LEU MD1 . . 4.560 3.503 2.323 4.533 . 0 0 "[ . 1 . 2]" 1
839 1 41 LEU H 1 41 LEU HB2 . . 3.750 2.445 2.377 2.513 . 0 0 "[ . 1 . 2]" 1
840 1 41 LEU H 1 41 LEU QB . . 3.240 2.408 2.345 2.471 . 0 0 "[ . 1 . 2]" 1
841 1 41 LEU H 1 41 LEU HB3 . . 3.750 3.616 3.592 3.642 . 0 0 "[ . 1 . 2]" 1
842 1 41 LEU H 1 41 LEU MD1 . . 3.860 3.649 3.560 3.741 . 0 0 "[ . 1 . 2]" 1
843 1 41 LEU H 1 41 LEU MD2 . . 3.960 3.621 3.487 3.810 . 0 0 "[ . 1 . 2]" 1
844 1 41 LEU H 1 41 LEU HG . . 2.950 2.507 2.444 2.662 . 0 0 "[ . 1 . 2]" 1
845 1 41 LEU H 1 42 ALA H . . 3.420 2.337 2.247 2.442 . 0 0 "[ . 1 . 2]" 1
846 1 41 LEU H 1 42 ALA MB . . 4.540 4.055 3.976 4.130 . 0 0 "[ . 1 . 2]" 1
847 1 41 LEU H 1 43 VAL H . . 4.980 3.814 3.599 3.997 . 0 0 "[ . 1 . 2]" 1
848 1 41 LEU HA 1 41 LEU MD2 . . 2.860 2.145 1.990 2.326 . 0 0 "[ . 1 . 2]" 1
849 1 41 LEU HA 1 41 LEU HG . . 3.970 3.050 2.920 3.152 . 0 0 "[ . 1 . 2]" 1
850 1 41 LEU HA 1 43 VAL H . . 4.740 4.393 3.718 4.732 . 0 0 "[ . 1 . 2]" 1
851 1 41 LEU HA 1 44 VAL H . . 4.170 3.910 3.549 4.060 . 0 0 "[ . 1 . 2]" 1
852 1 41 LEU HA 1 44 VAL HB . . 3.840 3.465 3.298 3.747 . 0 0 "[ . 1 . 2]" 1
853 1 41 LEU HA 1 44 VAL MG2 . . 3.560 3.501 3.341 3.561 0.001 10 0 "[ . 1 . 2]" 1
854 1 41 LEU HA 1 45 ASP H . . 5.040 4.287 4.124 4.466 . 0 0 "[ . 1 . 2]" 1
855 1 41 LEU QB 1 41 LEU MD2 . . 3.030 2.232 2.136 2.305 . 0 0 "[ . 1 . 2]" 1
856 1 41 LEU QB 1 42 ALA H . . 3.420 2.669 2.532 2.768 . 0 0 "[ . 1 . 2]" 1
857 1 41 LEU QB 1 42 ALA MB . . 5.340 3.765 3.726 3.802 . 0 0 "[ . 1 . 2]" 1
858 1 41 LEU HB2 1 41 LEU MD1 . . 3.300 2.251 2.140 2.356 . 0 0 "[ . 1 . 2]" 1
859 1 41 LEU HB2 1 41 LEU MD2 . . 3.590 3.182 3.166 3.192 . 0 0 "[ . 1 . 2]" 1
860 1 41 LEU HB2 1 42 ALA H . . 3.910 2.732 2.588 2.847 . 0 0 "[ . 1 . 2]" 1
861 1 41 LEU HB3 1 41 LEU MD1 . . 3.300 2.396 2.339 2.480 . 0 0 "[ . 1 . 2]" 1
862 1 41 LEU HB3 1 41 LEU MD2 . . 3.590 2.280 2.171 2.365 . 0 0 "[ . 1 . 2]" 1
863 1 41 LEU HB3 1 42 ALA H . . 3.910 3.752 3.593 3.885 . 0 0 "[ . 1 . 2]" 1
864 1 41 LEU MD1 1 42 ALA H . . 4.600 4.546 4.463 4.593 . 0 0 "[ . 1 . 2]" 1
865 1 41 LEU MD1 1 62 SER H . . 5.500 5.280 5.085 5.494 . 0 0 "[ . 1 . 2]" 1
866 1 41 LEU MD1 1 62 SER HA . . 3.480 2.768 2.597 2.973 . 0 0 "[ . 1 . 2]" 1
867 1 41 LEU MD1 1 62 SER HB2 . . 4.320 3.578 2.963 4.316 . 0 0 "[ . 1 . 2]" 1
868 1 41 LEU MD1 1 62 SER QB . . 3.570 3.080 2.490 3.488 . 0 0 "[ . 1 . 2]" 1
869 1 41 LEU MD1 1 62 SER HB3 . . 4.320 3.590 2.512 4.278 . 0 0 "[ . 1 . 2]" 1
870 1 41 LEU MD1 1 63 GLY H . . 4.130 2.773 2.393 3.169 . 0 0 "[ . 1 . 2]" 1
871 1 41 LEU MD2 1 42 ALA H . . 4.980 4.733 4.686 4.797 . 0 0 "[ . 1 . 2]" 1
872 1 41 LEU MD2 1 61 LYS HB2 . . 5.240 4.598 4.289 4.845 . 0 0 "[ . 1 . 2]" 1
873 1 41 LEU MD2 1 62 SER H . . 4.480 4.306 4.126 4.463 . 0 0 "[ . 1 . 2]" 1
874 1 41 LEU MD2 1 62 SER HB2 . . 3.990 3.370 2.325 3.985 . 0 0 "[ . 1 . 2]" 1
875 1 41 LEU MD2 1 62 SER QB . . 3.410 2.616 1.932 3.216 . 0 0 "[ . 1 . 2]" 1
876 1 41 LEU MD2 1 62 SER HB3 . . 3.990 2.790 1.973 3.566 . 0 0 "[ . 1 . 2]" 1
877 1 41 LEU MD2 1 73 ASN HB2 . . 5.500 4.612 4.363 4.847 . 0 0 "[ . 1 . 2]" 1
878 1 41 LEU MD2 1 73 ASN HB3 . . 4.780 3.632 3.239 3.933 . 0 0 "[ . 1 . 2]" 1
879 1 41 LEU MD2 1 73 ASN HD21 . . 3.550 2.115 1.885 2.384 . 0 0 "[ . 1 . 2]" 1
880 1 41 LEU MD2 1 73 ASN HD22 . . 3.830 2.754 2.389 3.130 . 0 0 "[ . 1 . 2]" 1
881 1 41 LEU HG 1 73 ASN HD21 . . 4.410 3.487 3.007 3.931 . 0 0 "[ . 1 . 2]" 1
882 1 42 ALA H 1 42 ALA MB . . 2.960 2.213 2.135 2.271 . 0 0 "[ . 1 . 2]" 1
883 1 42 ALA H 1 43 VAL H . . 3.430 2.469 2.341 2.549 . 0 0 "[ . 1 . 2]" 1
884 1 42 ALA H 1 43 VAL HB . . 4.790 4.724 4.608 4.782 . 0 0 "[ . 1 . 2]" 1
885 1 42 ALA H 1 43 VAL MG2 . . 4.070 3.847 3.544 4.044 . 0 0 "[ . 1 . 2]" 1
886 1 42 ALA HA 1 45 ASP H . . 4.450 3.660 3.509 3.783 . 0 0 "[ . 1 . 2]" 1
887 1 42 ALA HA 1 45 ASP HB2 . . 4.350 2.649 2.558 2.797 . 0 0 "[ . 1 . 2]" 1
888 1 42 ALA HA 1 45 ASP HB3 . . 4.240 4.173 4.080 4.230 . 0 0 "[ . 1 . 2]" 1
889 1 42 ALA MB 1 43 VAL H . . 3.250 2.714 2.463 3.186 . 0 0 "[ . 1 . 2]" 1
890 1 42 ALA MB 1 45 ASP HB2 . . 4.710 4.132 3.987 4.379 . 0 0 "[ . 1 . 2]" 1
891 1 42 ALA MB 1 46 LEU QB . . 5.340 4.253 3.949 4.547 . 0 0 "[ . 1 . 2]" 1
892 1 43 VAL H 1 43 VAL HB . . 3.330 2.558 2.467 2.645 . 0 0 "[ . 1 . 2]" 1
893 1 43 VAL H 1 43 VAL MG1 . . 4.220 3.765 3.759 3.780 . 0 0 "[ . 1 . 2]" 1
894 1 43 VAL H 1 43 VAL MG2 . . 3.080 2.191 1.886 2.530 . 0 0 "[ . 1 . 2]" 1
895 1 43 VAL H 1 44 VAL H . . 3.390 2.765 2.288 2.929 . 0 0 "[ . 1 . 2]" 1
896 1 43 VAL H 1 44 VAL HB . . 5.500 4.936 4.575 5.085 . 0 0 "[ . 1 . 2]" 1
897 1 43 VAL H 1 44 VAL MG2 . . 4.380 4.155 3.865 4.356 . 0 0 "[ . 1 . 2]" 1
898 1 43 VAL H 1 45 ASP H . . 4.450 4.159 3.620 4.390 . 0 0 "[ . 1 . 2]" 1
899 1 43 VAL H 1 45 ASP HB2 . . 5.500 4.961 4.664 5.090 . 0 0 "[ . 1 . 2]" 1
900 1 43 VAL H 1 46 LEU QB . . 5.340 4.820 4.711 5.035 . 0 0 "[ . 1 . 2]" 1
901 1 43 VAL HA 1 43 VAL MG1 . . 3.170 2.384 2.291 2.447 . 0 0 "[ . 1 . 2]" 1
902 1 43 VAL HA 1 43 VAL MG2 . . 3.340 2.338 2.242 2.483 . 0 0 "[ . 1 . 2]" 1
903 1 43 VAL HA 1 46 LEU H . . 3.950 3.582 3.352 3.763 . 0 0 "[ . 1 . 2]" 1
904 1 43 VAL HA 1 46 LEU HB2 . . 4.080 3.326 3.070 3.598 . 0 0 "[ . 1 . 2]" 1
905 1 43 VAL HA 1 46 LEU QB . . 3.550 2.824 2.658 3.052 . 0 0 "[ . 1 . 2]" 1
906 1 43 VAL HA 1 46 LEU HB3 . . 4.080 3.078 2.834 3.423 . 0 0 "[ . 1 . 2]" 1
907 1 43 VAL HA 1 46 LEU MD2 . . 3.960 3.295 3.033 3.566 . 0 0 "[ . 1 . 2]" 1
908 1 43 VAL HA 1 107 PHE QE . . 4.060 2.805 2.053 3.250 . 0 0 "[ . 1 . 2]" 1
909 1 43 VAL HA 1 110 LEU MD1 . . 4.670 4.051 3.531 4.481 . 0 0 "[ . 1 . 2]" 1
910 1 43 VAL HB 1 44 VAL H . . 3.540 2.353 2.181 2.620 . 0 0 "[ . 1 . 2]" 1
911 1 43 VAL HB 1 44 VAL MG2 . . 4.150 3.028 2.907 3.153 . 0 0 "[ . 1 . 2]" 1
912 1 43 VAL HB 1 74 ALA HA . . 5.160 4.937 4.734 5.159 . 0 0 "[ . 1 . 2]" 1
913 1 43 VAL HB 1 77 ALA MB . . 3.600 2.761 2.491 3.149 . 0 0 "[ . 1 . 2]" 1
914 1 43 VAL MG1 1 44 VAL H . . 4.060 3.278 2.987 3.469 . 0 0 "[ . 1 . 2]" 1
915 1 43 VAL MG1 1 44 VAL MG2 . . 3.960 3.449 3.231 3.640 . 0 0 "[ . 1 . 2]" 1
916 1 43 VAL MG1 1 74 ALA HA . . 5.370 4.826 4.489 5.093 . 0 0 "[ . 1 . 2]" 1
917 1 43 VAL MG1 1 77 ALA MB . . 3.010 2.009 1.785 2.268 . 0 0 "[ . 1 . 2]" 1
918 1 43 VAL MG1 1 106 VAL MG1 . . 3.370 2.995 2.624 3.270 . 0 0 "[ . 1 . 2]" 1
919 1 43 VAL MG1 1 107 PHE QE . . 4.470 3.745 2.939 4.369 . 0 0 "[ . 1 . 2]" 1
920 1 43 VAL MG2 1 44 VAL H . . 3.920 3.726 3.640 3.861 . 0 0 "[ . 1 . 2]" 1
921 1 43 VAL MG2 1 106 VAL MG1 . . 3.630 3.326 2.982 3.535 . 0 0 "[ . 1 . 2]" 1
922 1 43 VAL MG2 1 107 PHE QD . . 4.630 4.254 3.983 4.576 . 0 0 "[ . 1 . 2]" 1
923 1 43 VAL MG2 1 107 PHE QE . . 3.860 2.846 2.487 3.176 . 0 0 "[ . 1 . 2]" 1
924 1 44 VAL H 1 44 VAL HB . . 3.380 2.581 2.496 2.634 . 0 0 "[ . 1 . 2]" 1
925 1 44 VAL H 1 44 VAL MG1 . . 3.780 3.765 3.758 3.777 . 0 0 "[ . 1 . 2]" 1
926 1 44 VAL H 1 44 VAL MG2 . . 3.310 1.998 1.889 2.326 . 0 0 "[ . 1 . 2]" 1
927 1 44 VAL H 1 45 ASP H . . 3.680 2.771 2.465 2.876 . 0 0 "[ . 1 . 2]" 1
928 1 44 VAL H 1 77 ALA MB . . 4.690 3.198 2.841 3.669 . 0 0 "[ . 1 . 2]" 1
929 1 44 VAL HA 1 44 VAL MG1 . . 3.260 2.414 2.298 2.486 . 0 0 "[ . 1 . 2]" 1
930 1 44 VAL HA 1 44 VAL MG2 . . 3.330 2.412 2.335 2.474 . 0 0 "[ . 1 . 2]" 1
931 1 44 VAL HA 1 47 ILE HB . . 3.790 3.303 3.006 3.603 . 0 0 "[ . 1 . 2]" 1
932 1 44 VAL HA 1 47 ILE MD . . 3.350 2.167 1.958 2.414 . 0 0 "[ . 1 . 2]" 1
933 1 44 VAL HA 1 55 ILE MD . . 3.990 3.100 2.810 3.391 . 0 0 "[ . 1 . 2]" 1
934 1 44 VAL HB 1 45 ASP H . . 3.930 2.506 2.354 2.763 . 0 0 "[ . 1 . 2]" 1
935 1 44 VAL HB 1 47 ILE MD . . 4.980 4.840 4.431 4.977 . 0 0 "[ . 1 . 2]" 1
936 1 44 VAL HB 1 55 ILE MD . . 4.710 4.542 4.267 4.710 0.000 10 0 "[ . 1 . 2]" 1
937 1 44 VAL HB 1 55 ILE MG . . 4.360 4.110 3.894 4.362 0.002 13 0 "[ . 1 . 2]" 1
938 1 44 VAL HB 1 77 ALA MB . . 4.690 4.263 3.970 4.565 . 0 0 "[ . 1 . 2]" 1
939 1 44 VAL MG1 1 45 ASP H . . 4.140 3.417 3.246 3.704 . 0 0 "[ . 1 . 2]" 1
940 1 44 VAL MG1 1 45 ASP HA . . 4.440 3.502 3.259 3.779 . 0 0 "[ . 1 . 2]" 1
941 1 44 VAL MG1 1 48 ASP H . . 4.540 4.085 3.713 4.377 . 0 0 "[ . 1 . 2]" 1
942 1 44 VAL MG1 1 55 ILE MD . . 3.370 2.151 1.942 2.375 . 0 0 "[ . 1 . 2]" 1
943 1 44 VAL MG1 1 55 ILE HG12 . . 4.550 4.389 4.141 4.549 . 0 0 "[ . 1 . 2]" 1
944 1 44 VAL MG1 1 55 ILE HG13 . . 3.750 3.379 3.097 3.619 . 0 0 "[ . 1 . 2]" 1
945 1 44 VAL MG1 1 55 ILE MG . . 3.100 1.913 1.807 2.083 . 0 0 "[ . 1 . 2]" 1
946 1 44 VAL MG1 1 57 TYR HA . . 4.410 4.107 3.731 4.381 . 0 0 "[ . 1 . 2]" 1
947 1 44 VAL MG1 1 57 TYR QD . . 4.430 3.230 2.696 3.623 . 0 0 "[ . 1 . 2]" 1
948 1 44 VAL MG1 1 57 TYR QE . . 3.620 2.718 2.281 3.208 . 0 0 "[ . 1 . 2]" 1
949 1 44 VAL MG1 1 60 VAL MG2 . . 3.020 2.184 2.004 2.459 . 0 0 "[ . 1 . 2]" 1
950 1 44 VAL MG1 1 76 TYR QD . . 4.070 2.766 2.443 3.140 . 0 0 "[ . 1 . 2]" 1
951 1 44 VAL MG1 1 76 TYR QE . . 4.040 3.220 2.902 3.576 . 0 0 "[ . 1 . 2]" 1
952 1 44 VAL MG1 1 77 ALA HA . . 4.160 3.743 3.325 4.128 . 0 0 "[ . 1 . 2]" 1
953 1 44 VAL MG1 1 77 ALA MB . . 3.940 3.780 3.475 3.936 . 0 0 "[ . 1 . 2]" 1
954 1 44 VAL MG2 1 45 ASP H . . 4.370 3.770 3.669 3.869 . 0 0 "[ . 1 . 2]" 1
955 1 44 VAL MG2 1 46 LEU H . . 5.500 5.179 4.966 5.382 . 0 0 "[ . 1 . 2]" 1
956 1 44 VAL MG2 1 47 ILE MD . . 4.250 3.380 3.051 3.526 . 0 0 "[ . 1 . 2]" 1
957 1 44 VAL MG2 1 55 ILE MD . . 4.110 3.760 3.559 3.986 . 0 0 "[ . 1 . 2]" 1
958 1 44 VAL MG2 1 55 ILE MG . . 4.230 4.031 3.824 4.187 . 0 0 "[ . 1 . 2]" 1
959 1 44 VAL MG2 1 57 TYR QE . . 4.890 4.679 4.368 4.874 . 0 0 "[ . 1 . 2]" 1
960 1 44 VAL MG2 1 60 VAL MG2 . . 3.380 2.778 2.346 2.994 . 0 0 "[ . 1 . 2]" 1
961 1 44 VAL MG2 1 74 ALA H . . 5.500 5.452 5.302 5.501 0.001 1 0 "[ . 1 . 2]" 1
962 1 44 VAL MG2 1 76 TYR H . . 5.500 5.122 4.922 5.398 . 0 0 "[ . 1 . 2]" 1
963 1 44 VAL MG2 1 76 TYR QD . . 3.980 2.877 2.579 3.192 . 0 0 "[ . 1 . 2]" 1
964 1 44 VAL MG2 1 76 TYR QE . . 4.650 4.417 4.160 4.642 . 0 0 "[ . 1 . 2]" 1
965 1 44 VAL MG2 1 77 ALA H . . 4.380 3.086 2.856 3.323 . 0 0 "[ . 1 . 2]" 1
966 1 44 VAL MG2 1 77 ALA HA . . 3.740 2.611 2.223 3.085 . 0 0 "[ . 1 . 2]" 1
967 1 44 VAL MG2 1 77 ALA MB . . 3.260 1.962 1.779 2.146 . 0 0 "[ . 1 . 2]" 1
968 1 45 ASP H 1 45 ASP HB3 . . 3.970 3.548 3.502 3.573 . 0 0 "[ . 1 . 2]" 1
969 1 45 ASP H 1 46 LEU H . . 3.620 2.675 2.486 2.794 . 0 0 "[ . 1 . 2]" 1
970 1 45 ASP HA 1 48 ASP HB2 . . 5.090 3.685 2.988 4.734 . 0 0 "[ . 1 . 2]" 1
971 1 45 ASP HA 1 48 ASP QB . . 4.460 3.045 2.790 4.165 . 0 0 "[ . 1 . 2]" 1
972 1 45 ASP HA 1 48 ASP HB3 . . 5.090 3.298 2.964 4.621 . 0 0 "[ . 1 . 2]" 1
973 1 45 ASP HA 1 49 ALA H . . 5.030 4.701 4.305 4.921 . 0 0 "[ . 1 . 2]" 1
974 1 45 ASP HA 1 57 TYR QE . . 4.500 3.232 2.650 3.839 . 0 0 "[ . 1 . 2]" 1
975 1 45 ASP HA 1 57 TYR HH . . 4.340 2.497 2.003 3.708 . 0 0 "[ . 1 . 2]" 1
976 1 45 ASP HB2 1 46 LEU H . . 3.590 2.955 2.744 3.219 . 0 0 "[ . 1 . 2]" 1
977 1 45 ASP HB3 1 46 LEU H . . 4.010 3.618 3.324 3.975 . 0 0 "[ . 1 . 2]" 1
978 1 46 LEU H 1 46 LEU HB2 . . 3.770 2.504 2.360 2.613 . 0 0 "[ . 1 . 2]" 1
979 1 46 LEU H 1 46 LEU QB . . 3.100 2.234 2.208 2.276 . 0 0 "[ . 1 . 2]" 1
980 1 46 LEU H 1 46 LEU HB3 . . 3.770 2.528 2.404 2.691 . 0 0 "[ . 1 . 2]" 1
981 1 46 LEU H 1 46 LEU MD1 . . 4.110 4.057 3.930 4.110 0.000 12 0 "[ . 1 . 2]" 1
982 1 46 LEU H 1 46 LEU MD2 . . 4.230 4.190 4.129 4.239 0.009 19 0 "[ . 1 . 2]" 1
983 1 46 LEU H 1 47 ILE H . . 3.520 2.747 2.466 2.927 . 0 0 "[ . 1 . 2]" 1
984 1 46 LEU HA 1 46 LEU MD1 . . 3.130 2.262 1.985 2.561 . 0 0 "[ . 1 . 2]" 1
985 1 46 LEU HA 1 46 LEU MD2 . . 4.060 3.918 3.860 3.966 . 0 0 "[ . 1 . 2]" 1
986 1 46 LEU HA 1 46 LEU HG . . 4.200 2.953 2.793 3.113 . 0 0 "[ . 1 . 2]" 1
987 1 46 LEU HA 1 49 ALA H . . 4.320 3.694 3.386 3.861 . 0 0 "[ . 1 . 2]" 1
988 1 46 LEU HA 1 49 ALA MB . . 3.400 3.044 2.631 3.276 . 0 0 "[ . 1 . 2]" 1
989 1 46 LEU QB 1 46 LEU MD2 . . 3.090 2.010 1.952 2.096 . 0 0 "[ . 1 . 2]" 1
990 1 46 LEU QB 1 47 ILE H . . 3.450 2.278 2.047 2.512 . 0 0 "[ . 1 . 2]" 1
991 1 46 LEU QB 1 107 PHE QD . . 5.340 4.313 3.766 4.604 . 0 0 "[ . 1 . 2]" 1
992 1 46 LEU QB 1 110 LEU MD1 . . 4.540 3.274 2.560 3.669 . 0 0 "[ . 1 . 2]" 1
993 1 46 LEU HB2 1 47 ILE H . . 3.960 3.692 3.505 3.851 . 0 0 "[ . 1 . 2]" 1
994 1 46 LEU HB2 1 107 PHE QE . . 4.840 3.672 3.266 4.167 . 0 0 "[ . 1 . 2]" 1
995 1 46 LEU HB3 1 47 ILE H . . 3.960 2.301 2.059 2.548 . 0 0 "[ . 1 . 2]" 1
996 1 46 LEU HB3 1 107 PHE QE . . 4.840 4.056 3.508 4.447 . 0 0 "[ . 1 . 2]" 1
997 1 46 LEU MD1 1 49 ALA MB . . 3.660 3.436 3.067 3.661 0.001 8 0 "[ . 1 . 2]" 1
998 1 46 LEU MD1 1 50 ILE QG . . 4.720 4.020 3.348 4.669 . 0 0 "[ . 1 . 2]" 1
999 1 46 LEU MD1 1 107 PHE QD . . 4.390 3.979 3.458 4.271 . 0 0 "[ . 1 . 2]" 1
1000 1 46 LEU MD1 1 107 PHE QE . . 4.650 3.963 3.011 4.630 . 0 0 "[ . 1 . 2]" 1
1001 1 46 LEU MD2 1 47 ILE H . . 4.290 3.809 3.341 4.139 . 0 0 "[ . 1 . 2]" 1
1002 1 46 LEU MD2 1 107 PHE HA . . 3.870 3.537 3.067 3.760 . 0 0 "[ . 1 . 2]" 1
1003 1 46 LEU MD2 1 107 PHE QB . . 5.340 3.999 3.263 4.291 . 0 0 "[ . 1 . 2]" 1
1004 1 46 LEU MD2 1 107 PHE QD . . 3.190 2.273 1.853 2.530 . 0 0 "[ . 1 . 2]" 1
1005 1 46 LEU MD2 1 107 PHE QE . . 3.470 2.629 2.044 3.118 . 0 0 "[ . 1 . 2]" 1
1006 1 46 LEU MD2 1 110 LEU MD1 . . 2.830 1.869 1.706 2.231 . 0 0 "[ . 1 . 2]" 1
1007 1 46 LEU MD2 1 111 MET HA . . 5.500 4.936 4.484 5.351 . 0 0 "[ . 1 . 2]" 1
1008 1 46 LEU HG 1 50 ILE MD . . 3.500 2.704 2.337 3.305 . 0 0 "[ . 1 . 2]" 1
1009 1 47 ILE H 1 47 ILE HB . . 3.250 2.567 2.504 2.675 . 0 0 "[ . 1 . 2]" 1
1010 1 47 ILE H 1 47 ILE MD . . 3.230 3.137 3.053 3.218 . 0 0 "[ . 1 . 2]" 1
1011 1 47 ILE H 1 47 ILE HG12 . . 3.700 3.593 3.485 3.687 . 0 0 "[ . 1 . 2]" 1
1012 1 47 ILE H 1 47 ILE HG13 . . 3.700 2.090 1.951 2.212 . 0 0 "[ . 1 . 2]" 1
1013 1 47 ILE H 1 47 ILE MG . . 4.020 3.768 3.759 3.788 . 0 0 "[ . 1 . 2]" 1
1014 1 47 ILE H 1 48 ASP H . . 3.760 2.930 2.717 3.172 . 0 0 "[ . 1 . 2]" 1
1015 1 47 ILE H 1 50 ILE MD . . 4.430 4.249 3.996 4.424 . 0 0 "[ . 1 . 2]" 1
1016 1 47 ILE HA 1 47 ILE HG12 . . 4.140 2.770 2.723 2.815 . 0 0 "[ . 1 . 2]" 1
1017 1 47 ILE HA 1 47 ILE QG . . 3.540 2.414 2.371 2.469 . 0 0 "[ . 1 . 2]" 1
1018 1 47 ILE HA 1 47 ILE HG13 . . 4.140 2.659 2.592 2.768 . 0 0 "[ . 1 . 2]" 1
1019 1 47 ILE HA 1 47 ILE MG . . 3.260 2.367 2.310 2.477 . 0 0 "[ . 1 . 2]" 1
1020 1 47 ILE HA 1 49 ALA H . . 5.500 4.587 4.323 4.865 . 0 0 "[ . 1 . 2]" 1
1021 1 47 ILE HA 1 49 ALA MB . . 5.500 4.744 4.522 4.964 . 0 0 "[ . 1 . 2]" 1
1022 1 47 ILE HA 1 50 ILE H . . 4.250 3.619 3.455 3.866 . 0 0 "[ . 1 . 2]" 1
1023 1 47 ILE HA 1 50 ILE HB . . 3.580 3.242 3.029 3.519 . 0 0 "[ . 1 . 2]" 1
1024 1 47 ILE HA 1 50 ILE MD . . 3.720 2.307 2.069 2.544 . 0 0 "[ . 1 . 2]" 1
1025 1 47 ILE HA 1 84 ILE MD . . 3.880 3.157 2.728 3.572 . 0 0 "[ . 1 . 2]" 1
1026 1 47 ILE HA 1 110 LEU MD2 . . 4.230 3.639 2.628 4.175 . 0 0 "[ . 1 . 2]" 1
1027 1 47 ILE HB 1 48 ASP H . . 4.060 2.473 2.136 2.967 . 0 0 "[ . 1 . 2]" 1
1028 1 47 ILE HB 1 49 ALA H . . 5.500 5.207 4.859 5.499 . 0 0 "[ . 1 . 2]" 1
1029 1 47 ILE HB 1 55 ILE MD . . 3.900 2.220 2.061 2.430 . 0 0 "[ . 1 . 2]" 1
1030 1 47 ILE HB 1 55 ILE HG13 . . 4.590 3.075 2.744 3.520 . 0 0 "[ . 1 . 2]" 1
1031 1 47 ILE HB 1 81 ALA H . . 5.500 5.473 5.398 5.504 0.004 13 0 "[ . 1 . 2]" 1
1032 1 47 ILE MD 1 48 ASP H . . 4.660 4.228 3.971 4.617 . 0 0 "[ . 1 . 2]" 1
1033 1 47 ILE MD 1 77 ALA H . . 5.070 4.923 4.624 5.070 0.000 20 0 "[ . 1 . 2]" 1
1034 1 47 ILE MD 1 77 ALA HA . . 3.810 2.746 2.410 2.980 . 0 0 "[ . 1 . 2]" 1
1035 1 47 ILE MD 1 80 MET H . . 4.270 4.001 3.636 4.213 . 0 0 "[ . 1 . 2]" 1
1036 1 47 ILE MD 1 80 MET HB2 . . 3.910 2.080 1.931 2.415 . 0 0 "[ . 1 . 2]" 1
1037 1 47 ILE MD 1 80 MET QB . . 3.410 1.989 1.807 2.352 . 0 0 "[ . 1 . 2]" 1
1038 1 47 ILE MD 1 80 MET HB3 . . 3.910 2.596 2.045 3.237 . 0 0 "[ . 1 . 2]" 1
1039 1 47 ILE MD 1 80 MET HG2 . . 5.190 4.019 3.730 4.390 . 0 0 "[ . 1 . 2]" 1
1040 1 47 ILE MD 1 80 MET QG . . 4.460 3.329 3.042 3.689 . 0 0 "[ . 1 . 2]" 1
1041 1 47 ILE MD 1 80 MET HG3 . . 5.190 3.558 3.220 4.001 . 0 0 "[ . 1 . 2]" 1
1042 1 47 ILE MD 1 81 ALA H . . 3.540 2.459 2.213 2.825 . 0 0 "[ . 1 . 2]" 1
1043 1 47 ILE MD 1 81 ALA HA . . 3.930 2.973 2.622 3.295 . 0 0 "[ . 1 . 2]" 1
1044 1 47 ILE MD 1 81 ALA MB . . 3.330 2.503 2.027 2.884 . 0 0 "[ . 1 . 2]" 1
1045 1 47 ILE QG 1 81 ALA HA . . 4.480 2.651 2.341 3.036 . 0 0 "[ . 1 . 2]" 1
1046 1 47 ILE QG 1 81 ALA MB . . 3.950 2.975 2.308 3.387 . 0 0 "[ . 1 . 2]" 1
1047 1 47 ILE QG 1 84 ILE MD . . 4.020 2.584 2.089 3.169 . 0 0 "[ . 1 . 2]" 1
1048 1 47 ILE HG12 1 81 ALA MB . . 4.730 3.091 2.360 3.548 . 0 0 "[ . 1 . 2]" 1
1049 1 47 ILE HG13 1 81 ALA MB . . 4.730 3.894 3.260 4.377 . 0 0 "[ . 1 . 2]" 1
1050 1 47 ILE MG 1 48 ASP H . . 4.050 3.237 2.884 3.639 . 0 0 "[ . 1 . 2]" 1
1051 1 47 ILE MG 1 48 ASP HA . . 4.330 3.379 3.160 3.603 . 0 0 "[ . 1 . 2]" 1
1052 1 47 ILE MG 1 48 ASP QB . . 5.180 4.248 4.041 4.485 . 0 0 "[ . 1 . 2]" 1
1053 1 47 ILE MG 1 50 ILE H . . 5.210 4.479 4.184 4.832 . 0 0 "[ . 1 . 2]" 1
1054 1 47 ILE MG 1 50 ILE MD . . 3.680 3.589 3.359 3.682 0.002 13 0 "[ . 1 . 2]" 1
1055 1 47 ILE MG 1 51 GLN H . . 4.390 3.316 3.032 3.792 . 0 0 "[ . 1 . 2]" 1
1056 1 47 ILE MG 1 51 GLN QB . . 4.680 3.144 2.923 3.461 . 0 0 "[ . 1 . 2]" 1
1057 1 47 ILE MG 1 51 GLN QG . . 5.220 4.182 3.989 4.503 . 0 0 "[ . 1 . 2]" 1
1058 1 47 ILE MG 1 54 CYS QB . . 5.340 4.548 4.307 4.773 . 0 0 "[ . 1 . 2]" 1
1059 1 47 ILE MG 1 55 ILE H . . 4.880 4.520 4.162 4.848 . 0 0 "[ . 1 . 2]" 1
1060 1 47 ILE MG 1 55 ILE MD . . 3.060 2.083 1.912 2.345 . 0 0 "[ . 1 . 2]" 1
1061 1 47 ILE MG 1 55 ILE HG13 . . 3.710 3.104 2.757 3.480 . 0 0 "[ . 1 . 2]" 1
1062 1 47 ILE MG 1 55 ILE MG . . 4.790 4.418 4.152 4.588 . 0 0 "[ . 1 . 2]" 1
1063 1 47 ILE MG 1 80 MET HB2 . . 3.950 3.359 2.677 3.828 . 0 0 "[ . 1 . 2]" 1
1064 1 47 ILE MG 1 80 MET QB . . 3.260 2.435 1.996 2.724 . 0 0 "[ . 1 . 2]" 1
1065 1 47 ILE MG 1 80 MET HB3 . . 3.950 2.503 2.059 2.797 . 0 0 "[ . 1 . 2]" 1
1066 1 47 ILE MG 1 80 MET ME . . 3.600 3.103 2.873 3.549 . 0 0 "[ . 1 . 2]" 1
1067 1 47 ILE MG 1 80 MET QG . . 4.840 3.900 3.406 4.531 . 0 0 "[ . 1 . 2]" 1
1068 1 47 ILE MG 1 81 ALA HA . . 3.940 3.105 2.465 3.414 . 0 0 "[ . 1 . 2]" 1
1069 1 47 ILE MG 1 81 ALA MB . . 4.680 4.021 3.478 4.353 . 0 0 "[ . 1 . 2]" 1
1070 1 47 ILE MG 1 84 ILE H . . 4.840 4.347 3.866 4.805 . 0 0 "[ . 1 . 2]" 1
1071 1 47 ILE MG 1 84 ILE HB . . 5.500 4.065 3.577 4.575 . 0 0 "[ . 1 . 2]" 1
1072 1 47 ILE MG 1 84 ILE MD . . 2.890 1.934 1.752 2.212 . 0 0 "[ . 1 . 2]" 1
1073 1 47 ILE MG 1 84 ILE HG12 . . 5.070 3.141 2.541 3.444 . 0 0 "[ . 1 . 2]" 1
1074 1 47 ILE MG 1 84 ILE QG . . 4.300 3.058 2.502 3.353 . 0 0 "[ . 1 . 2]" 1
1075 1 47 ILE MG 1 84 ILE HG13 . . 5.070 4.221 3.740 4.605 . 0 0 "[ . 1 . 2]" 1
1076 1 47 ILE MG 1 84 ILE MG . . 3.230 2.266 1.860 2.886 . 0 0 "[ . 1 . 2]" 1
1077 1 48 ASP H 1 48 ASP HB2 . . 4.080 2.637 2.311 3.552 . 0 0 "[ . 1 . 2]" 1
1078 1 48 ASP H 1 48 ASP HB3 . . 4.080 2.563 2.188 2.877 . 0 0 "[ . 1 . 2]" 1
1079 1 48 ASP H 1 49 ALA H . . 3.160 2.981 2.689 3.163 0.003 10 0 "[ . 1 . 2]" 1
1080 1 48 ASP H 1 55 ILE MD . . 4.720 3.226 2.817 3.671 . 0 0 "[ . 1 . 2]" 1
1081 1 48 ASP H 1 55 ILE HG12 . . 4.630 3.752 3.194 4.168 . 0 0 "[ . 1 . 2]" 1
1082 1 48 ASP H 1 55 ILE HG13 . . 4.510 2.387 2.125 2.810 . 0 0 "[ . 1 . 2]" 1
1083 1 48 ASP HA 1 51 GLN H . . 4.060 3.734 3.449 4.048 . 0 0 "[ . 1 . 2]" 1
1084 1 48 ASP HA 1 55 ILE MD . . 4.540 3.829 3.564 4.037 . 0 0 "[ . 1 . 2]" 1
1085 1 48 ASP HA 1 55 ILE HG12 . . 4.760 2.726 2.466 3.188 . 0 0 "[ . 1 . 2]" 1
1086 1 48 ASP HA 1 55 ILE HG13 . . 4.570 2.501 2.290 2.868 . 0 0 "[ . 1 . 2]" 1
1087 1 48 ASP QB 1 49 ALA H . . 3.400 2.423 2.166 3.329 . 0 0 "[ . 1 . 2]" 1
1088 1 48 ASP QB 1 55 ILE H . . 4.630 4.266 3.692 4.629 . 0 0 "[ . 1 . 2]" 1
1089 1 48 ASP QB 1 55 ILE HB . . 4.010 2.547 2.065 3.033 . 0 0 "[ . 1 . 2]" 1
1090 1 48 ASP QB 1 55 ILE MD . . 4.080 3.533 3.239 3.678 . 0 0 "[ . 1 . 2]" 1
1091 1 48 ASP QB 1 55 ILE HG12 . . 4.100 3.288 2.774 3.469 . 0 0 "[ . 1 . 2]" 1
1092 1 48 ASP QB 1 55 ILE MG . . 4.240 2.741 2.552 2.967 . 0 0 "[ . 1 . 2]" 1
1093 1 48 ASP QB 1 57 TYR QE . . 4.670 4.138 3.722 4.482 . 0 0 "[ . 1 . 2]" 1
1094 1 48 ASP HB2 1 49 ALA H . . 4.000 3.734 3.063 3.987 . 0 0 "[ . 1 . 2]" 1
1095 1 48 ASP HB2 1 55 ILE HB . . 4.780 2.660 2.169 3.671 . 0 0 "[ . 1 . 2]" 1
1096 1 48 ASP HB2 1 55 ILE MD . . 4.930 3.766 3.519 4.937 0.007 13 0 "[ . 1 . 2]" 1
1097 1 48 ASP HB2 1 55 ILE HG12 . . 4.880 3.453 2.814 4.757 . 0 0 "[ . 1 . 2]" 1
1098 1 48 ASP HB2 1 55 ILE HG13 . . 4.500 2.164 1.998 3.547 . 0 0 "[ . 1 . 2]" 1
1099 1 48 ASP HB3 1 49 ALA H . . 4.000 2.507 2.181 3.954 . 0 0 "[ . 1 . 2]" 1
1100 1 48 ASP HB3 1 55 ILE HB . . 4.780 4.092 2.076 4.585 . 0 0 "[ . 1 . 2]" 1
1101 1 48 ASP HB3 1 55 ILE MD . . 4.930 4.629 3.339 4.920 . 0 0 "[ . 1 . 2]" 1
1102 1 48 ASP HB3 1 55 ILE HG12 . . 4.880 4.656 3.226 4.883 0.003 15 0 "[ . 1 . 2]" 1
1103 1 48 ASP HB3 1 55 ILE HG13 . . 4.500 3.300 1.999 3.590 . 0 0 "[ . 1 . 2]" 1
1104 1 49 ALA H 1 49 ALA MB . . 2.890 2.119 2.038 2.221 . 0 0 "[ . 1 . 2]" 1
1105 1 49 ALA H 1 50 ILE H . . 3.540 2.989 2.770 3.094 . 0 0 "[ . 1 . 2]" 1
1106 1 49 ALA H 1 50 ILE HB . . 5.500 5.243 5.052 5.466 . 0 0 "[ . 1 . 2]" 1
1107 1 49 ALA H 1 50 ILE MD . . 5.240 5.029 4.860 5.241 0.001 20 0 "[ . 1 . 2]" 1
1108 1 49 ALA H 1 55 ILE HG13 . . 4.840 4.825 4.594 4.845 0.005 8 0 "[ . 1 . 2]" 1
1109 1 49 ALA MB 1 50 ILE H . . 3.550 2.395 2.192 2.626 . 0 0 "[ . 1 . 2]" 1
1110 1 49 ALA MB 1 51 GLN H . . 4.850 4.713 4.561 4.839 . 0 0 "[ . 1 . 2]" 1
1111 1 50 ILE H 1 50 ILE HB . . 3.320 2.588 2.504 2.645 . 0 0 "[ . 1 . 2]" 1
1112 1 50 ILE H 1 50 ILE MD . . 3.620 3.149 3.051 3.341 . 0 0 "[ . 1 . 2]" 1
1113 1 50 ILE H 1 50 ILE HG12 . . 4.220 3.540 3.343 3.694 . 0 0 "[ . 1 . 2]" 1
1114 1 50 ILE H 1 50 ILE QG . . 3.650 2.022 1.899 2.235 . 0 0 "[ . 1 . 2]" 1
1115 1 50 ILE H 1 50 ILE HG13 . . 4.220 2.034 1.908 2.254 . 0 0 "[ . 1 . 2]" 1
1116 1 50 ILE H 1 50 ILE MG . . 3.890 3.766 3.761 3.776 . 0 0 "[ . 1 . 2]" 1
1117 1 50 ILE H 1 51 GLN H . . 3.260 2.839 2.629 3.024 . 0 0 "[ . 1 . 2]" 1
1118 1 50 ILE H 1 84 ILE MD . . 5.470 5.018 4.652 5.394 . 0 0 "[ . 1 . 2]" 1
1119 1 50 ILE HA 1 50 ILE MD . . 4.600 3.902 3.884 3.941 . 0 0 "[ . 1 . 2]" 1
1120 1 50 ILE HA 1 50 ILE QG . . 3.660 2.488 2.455 2.556 . 0 0 "[ . 1 . 2]" 1
1121 1 50 ILE HA 1 50 ILE MG . . 3.510 2.350 2.252 2.448 . 0 0 "[ . 1 . 2]" 1
1122 1 50 ILE HB 1 50 ILE MD . . 3.460 2.224 2.099 2.316 . 0 0 "[ . 1 . 2]" 1
1123 1 50 ILE HB 1 51 GLN H . . 3.430 2.191 2.041 2.340 . 0 0 "[ . 1 . 2]" 1
1124 1 50 ILE HB 1 84 ILE MD . . 3.670 3.144 2.787 3.568 . 0 0 "[ . 1 . 2]" 1
1125 1 50 ILE MD 1 51 GLN H . . 4.660 3.940 3.763 4.104 . 0 0 "[ . 1 . 2]" 1
1126 1 50 ILE MD 1 110 LEU HA . . 4.550 3.803 2.716 4.190 . 0 0 "[ . 1 . 2]" 1
1127 1 50 ILE MD 1 110 LEU HB2 . . 4.060 3.955 3.489 4.062 0.002 13 0 "[ . 1 . 2]" 1
1128 1 50 ILE MD 1 110 LEU HB3 . . 3.500 2.675 1.967 2.875 . 0 0 "[ . 1 . 2]" 1
1129 1 50 ILE MD 1 110 LEU MD1 . . 4.070 3.719 3.053 3.979 . 0 0 "[ . 1 . 2]" 1
1130 1 50 ILE MD 1 110 LEU MD2 . . 3.240 2.900 1.944 3.209 . 0 0 "[ . 1 . 2]" 1
1131 1 50 ILE MD 1 114 GLY H . . 3.950 3.511 3.040 3.858 . 0 0 "[ . 1 . 2]" 1
1132 1 50 ILE MD 1 114 GLY QA . . 4.040 3.060 2.573 3.662 . 0 0 "[ . 1 . 2]" 1
1133 1 50 ILE QG 1 51 GLN H . . 4.480 3.912 3.796 3.974 . 0 0 "[ . 1 . 2]" 1
1134 1 50 ILE QG 1 114 GLY QA . . 4.250 2.523 1.958 2.986 . 0 0 "[ . 1 . 2]" 1
1135 1 50 ILE MG 1 51 GLN H . . 3.600 3.193 2.987 3.385 . 0 0 "[ . 1 . 2]" 1
1136 1 50 ILE MG 1 51 GLN QB . . 4.030 2.995 2.796 3.212 . 0 0 "[ . 1 . 2]" 1
1137 1 50 ILE MG 1 114 GLY HA2 . . 3.900 2.305 1.946 2.837 . 0 0 "[ . 1 . 2]" 1
1138 1 50 ILE MG 1 114 GLY HA3 . . 3.900 3.260 2.522 3.848 . 0 0 "[ . 1 . 2]" 1
1139 1 51 GLN H 1 51 GLN HB2 . . 3.690 3.213 3.092 3.356 . 0 0 "[ . 1 . 2]" 1
1140 1 51 GLN H 1 51 GLN HB3 . . 3.690 2.605 2.524 2.689 . 0 0 "[ . 1 . 2]" 1
1141 1 51 GLN H 1 51 GLN QG . . 4.270 3.999 3.917 4.076 . 0 0 "[ . 1 . 2]" 1
1142 1 51 GLN H 1 52 PRO HD2 . . 4.460 4.185 4.108 4.237 . 0 0 "[ . 1 . 2]" 1
1143 1 51 GLN H 1 52 PRO QD . . 3.770 3.330 3.230 3.401 . 0 0 "[ . 1 . 2]" 1
1144 1 51 GLN H 1 52 PRO HD3 . . 4.460 3.497 3.378 3.582 . 0 0 "[ . 1 . 2]" 1
1145 1 51 GLN H 1 54 CYS HG . . 4.900 4.425 4.137 4.733 . 0 0 "[ . 1 . 2]" 1
1146 1 51 GLN H 1 84 ILE MD . . 4.510 3.822 3.483 4.266 . 0 0 "[ . 1 . 2]" 1
1147 1 51 GLN HA 1 51 GLN QG . . 3.530 2.620 2.417 2.853 . 0 0 "[ . 1 . 2]" 1
1148 1 51 GLN HA 1 52 PRO HD2 . . 3.450 1.989 1.973 1.999 . 0 0 "[ . 1 . 2]" 1
1149 1 51 GLN HA 1 52 PRO HD3 . . 3.450 2.765 2.730 2.784 . 0 0 "[ . 1 . 2]" 1
1150 1 51 GLN HA 1 52 PRO QG . . 4.380 3.849 3.835 3.857 . 0 0 "[ . 1 . 2]" 1
1151 1 51 GLN QB 1 54 CYS QB . . 4.420 4.292 3.957 4.422 0.002 8 0 "[ . 1 . 2]" 1
1152 1 51 GLN QB 1 84 ILE HB . . 4.710 3.007 2.582 3.609 . 0 0 "[ . 1 . 2]" 1
1153 1 51 GLN QB 1 84 ILE MD . . 4.080 3.026 2.509 3.500 . 0 0 "[ . 1 . 2]" 1
1154 1 51 GLN HB2 1 84 ILE MD . . 4.700 3.809 3.193 4.449 . 0 0 "[ . 1 . 2]" 1
1155 1 51 GLN HB2 1 84 ILE MG . . 4.040 3.121 2.526 3.594 . 0 0 "[ . 1 . 2]" 1
1156 1 51 GLN HB3 1 84 ILE MD . . 4.700 3.181 2.624 3.662 . 0 0 "[ . 1 . 2]" 1
1157 1 51 GLN HB3 1 84 ILE MG . . 4.040 2.144 1.892 2.848 . 0 0 "[ . 1 . 2]" 1
1158 1 51 GLN QE 1 54 CYS QB . . 4.580 3.534 2.573 4.308 . 0 0 "[ . 1 . 2]" 1
1159 1 51 GLN QE 1 84 ILE MG . . 4.160 2.700 1.777 3.559 . 0 0 "[ . 1 . 2]" 1
1160 1 51 GLN HE21 1 84 ILE MG . . 4.790 2.840 1.789 4.029 . 0 0 "[ . 1 . 2]" 1
1161 1 51 GLN HE22 1 84 ILE MG . . 4.790 3.711 2.511 4.788 . 0 0 "[ . 1 . 2]" 1
1162 1 51 GLN QG 1 52 PRO HD2 . . 4.770 3.726 3.541 3.947 . 0 0 "[ . 1 . 2]" 1
1163 1 51 GLN QG 1 52 PRO HD3 . . 4.770 4.670 4.579 4.779 0.009 15 0 "[ . 1 . 2]" 1
1164 1 51 GLN QG 1 54 CYS H . . 4.230 3.619 3.295 3.804 . 0 0 "[ . 1 . 2]" 1
1165 1 51 GLN QG 1 54 CYS HB2 . . 4.300 3.970 3.553 4.216 . 0 0 "[ . 1 . 2]" 1
1166 1 51 GLN QG 1 54 CYS QB . . 3.630 2.698 2.420 2.876 . 0 0 "[ . 1 . 2]" 1
1167 1 51 GLN QG 1 54 CYS HB3 . . 4.300 2.745 2.463 2.927 . 0 0 "[ . 1 . 2]" 1
1168 1 51 GLN QG 1 54 CYS HG . . 4.820 2.443 1.962 3.451 . 0 0 "[ . 1 . 2]" 1
1169 1 51 GLN QG 1 84 ILE MD . . 5.030 4.461 3.672 4.943 . 0 0 "[ . 1 . 2]" 1
1170 1 51 GLN QG 1 84 ILE MG . . 3.600 2.382 1.964 2.820 . 0 0 "[ . 1 . 2]" 1
1171 1 52 PRO HA 1 53 GLY H . . 2.940 2.403 2.375 2.451 . 0 0 "[ . 1 . 2]" 1
1172 1 52 PRO HB2 1 53 GLY H . . 3.820 2.619 2.500 2.694 . 0 0 "[ . 1 . 2]" 1
1173 1 52 PRO HB2 1 54 CYS H . . 4.750 4.713 4.663 4.751 0.001 3 0 "[ . 1 . 2]" 1
1174 1 52 PRO HB3 1 53 GLY H . . 4.180 3.459 3.399 3.498 . 0 0 "[ . 1 . 2]" 1
1175 1 52 PRO QG 1 53 GLY H . . 4.370 4.171 4.089 4.222 . 0 0 "[ . 1 . 2]" 1
1176 1 52 PRO QG 1 53 GLY HA3 . . 4.560 4.551 4.516 4.562 0.002 20 0 "[ . 1 . 2]" 1
1177 1 53 GLY H 1 54 CYS H . . 3.250 2.869 2.724 3.058 . 0 0 "[ . 1 . 2]" 1
1178 1 53 GLY H 1 55 ILE H . . 4.330 3.516 3.286 3.721 . 0 0 "[ . 1 . 2]" 1
1179 1 54 CYS H 1 54 CYS HB2 . . 3.840 3.647 3.624 3.685 . 0 0 "[ . 1 . 2]" 1
1180 1 54 CYS H 1 54 CYS QB . . 3.180 2.509 2.414 2.610 . 0 0 "[ . 1 . 2]" 1
1181 1 54 CYS H 1 54 CYS HB3 . . 3.840 2.557 2.450 2.672 . 0 0 "[ . 1 . 2]" 1
1182 1 54 CYS H 1 54 CYS HG . . 3.680 3.033 2.333 3.639 . 0 0 "[ . 1 . 2]" 1
1183 1 54 CYS H 1 55 ILE H . . 3.180 2.294 2.149 2.427 . 0 0 "[ . 1 . 2]" 1
1184 1 54 CYS H 1 55 ILE HB . . 4.670 4.503 4.328 4.629 . 0 0 "[ . 1 . 2]" 1
1185 1 54 CYS H 1 55 ILE MD . . 5.500 5.103 4.799 5.340 . 0 0 "[ . 1 . 2]" 1
1186 1 54 CYS H 1 80 MET ME . . 4.870 4.542 4.306 4.872 0.002 20 0 "[ . 1 . 2]" 1
1187 1 54 CYS HA 1 80 MET ME . . 4.840 3.711 3.427 4.067 . 0 0 "[ . 1 . 2]" 1
1188 1 54 CYS QB 1 55 ILE H . . 4.210 3.445 3.330 3.569 . 0 0 "[ . 1 . 2]" 1
1189 1 54 CYS QB 1 55 ILE HA . . 5.190 4.508 4.385 4.604 . 0 0 "[ . 1 . 2]" 1
1190 1 54 CYS QB 1 80 MET ME . . 3.320 2.299 1.996 2.742 . 0 0 "[ . 1 . 2]" 1
1191 1 54 CYS QB 1 84 ILE MG . . 4.020 3.536 3.218 3.848 . 0 0 "[ . 1 . 2]" 1
1192 1 54 CYS HB2 1 80 MET ME . . 3.960 2.328 2.010 2.801 . 0 0 "[ . 1 . 2]" 1
1193 1 54 CYS HB2 1 84 ILE MG . . 4.580 4.007 3.634 4.370 . 0 0 "[ . 1 . 2]" 1
1194 1 54 CYS HB3 1 80 MET ME . . 3.960 3.603 3.356 3.901 . 0 0 "[ . 1 . 2]" 1
1195 1 54 CYS HB3 1 84 ILE MG . . 4.580 3.935 3.591 4.271 . 0 0 "[ . 1 . 2]" 1
1196 1 54 CYS HG 1 55 ILE H . . 4.860 3.231 2.225 4.009 . 0 0 "[ . 1 . 2]" 1
1197 1 55 ILE H 1 55 ILE HB . . 2.960 2.498 2.420 2.580 . 0 0 "[ . 1 . 2]" 1
1198 1 55 ILE H 1 55 ILE MD . . 3.890 3.492 3.004 3.877 . 0 0 "[ . 1 . 2]" 1
1199 1 55 ILE H 1 55 ILE HG12 . . 3.790 2.223 2.001 2.493 . 0 0 "[ . 1 . 2]" 1
1200 1 55 ILE H 1 55 ILE HG13 . . 4.440 3.573 3.451 3.674 . 0 0 "[ . 1 . 2]" 1
1201 1 55 ILE H 1 55 ILE MG . . 3.840 3.762 3.747 3.773 . 0 0 "[ . 1 . 2]" 1
1202 1 55 ILE H 1 56 ASN H . . 4.660 4.511 4.421 4.606 . 0 0 "[ . 1 . 2]" 1
1203 1 55 ILE HA 1 55 ILE MD . . 3.280 2.061 1.973 2.309 . 0 0 "[ . 1 . 2]" 1
1204 1 55 ILE HA 1 55 ILE MG . . 3.660 2.404 2.323 2.474 . 0 0 "[ . 1 . 2]" 1
1205 1 55 ILE HA 1 56 ASN H . . 3.060 2.156 2.141 2.218 . 0 0 "[ . 1 . 2]" 1
1206 1 55 ILE HA 1 56 ASN HB2 . . 5.500 4.306 4.141 4.410 . 0 0 "[ . 1 . 2]" 1
1207 1 55 ILE HA 1 76 TYR QE . . 4.470 3.364 3.103 3.590 . 0 0 "[ . 1 . 2]" 1
1208 1 55 ILE HA 1 80 MET ME . . 3.640 2.685 2.050 3.543 . 0 0 "[ . 1 . 2]" 1
1209 1 55 ILE HB 1 56 ASN H . . 4.340 4.215 4.010 4.339 . 0 0 "[ . 1 . 2]" 1
1210 1 55 ILE HB 1 57 TYR QE . . 5.160 4.756 4.431 5.077 . 0 0 "[ . 1 . 2]" 1
1211 1 55 ILE MD 1 55 ILE MG . . 3.180 1.941 1.861 2.064 . 0 0 "[ . 1 . 2]" 1
1212 1 55 ILE MD 1 56 ASN H . . 3.890 3.508 3.213 3.667 . 0 0 "[ . 1 . 2]" 1
1213 1 55 ILE MD 1 76 TYR QD . . 4.500 4.050 3.754 4.226 . 0 0 "[ . 1 . 2]" 1
1214 1 55 ILE MD 1 76 TYR QE . . 3.550 3.244 2.921 3.447 . 0 0 "[ . 1 . 2]" 1
1215 1 55 ILE MD 1 80 MET H . . 5.190 4.970 4.618 5.190 . 0 0 "[ . 1 . 2]" 1
1216 1 55 ILE MD 1 80 MET HA . . 5.240 4.394 4.012 4.792 . 0 0 "[ . 1 . 2]" 1
1217 1 55 ILE MD 1 80 MET HB2 . . 4.710 3.211 2.828 3.421 . 0 0 "[ . 1 . 2]" 1
1218 1 55 ILE MD 1 80 MET HB3 . . 4.710 2.446 1.958 2.827 . 0 0 "[ . 1 . 2]" 1
1219 1 55 ILE MD 1 80 MET ME . . 3.280 2.231 1.726 2.934 . 0 0 "[ . 1 . 2]" 1
1220 1 55 ILE MD 1 80 MET HG2 . . 4.350 3.626 3.395 3.988 . 0 0 "[ . 1 . 2]" 1
1221 1 55 ILE MD 1 80 MET QG . . 3.700 2.211 1.932 2.875 . 0 0 "[ . 1 . 2]" 1
1222 1 55 ILE MD 1 80 MET HG3 . . 4.350 2.233 1.943 2.948 . 0 0 "[ . 1 . 2]" 1
1223 1 55 ILE HG12 1 55 ILE MG . . 3.730 3.189 3.163 3.199 . 0 0 "[ . 1 . 2]" 1
1224 1 55 ILE HG13 1 55 ILE MG . . 3.680 2.446 2.328 2.557 . 0 0 "[ . 1 . 2]" 1
1225 1 55 ILE MG 1 56 ASN H . . 3.560 2.578 2.154 2.950 . 0 0 "[ . 1 . 2]" 1
1226 1 55 ILE MG 1 57 TYR H . . 3.980 3.217 2.884 3.509 . 0 0 "[ . 1 . 2]" 1
1227 1 55 ILE MG 1 57 TYR HA . . 3.890 3.678 3.544 3.842 . 0 0 "[ . 1 . 2]" 1
1228 1 55 ILE MG 1 57 TYR QD . . 4.110 3.371 3.137 3.658 . 0 0 "[ . 1 . 2]" 1
1229 1 55 ILE MG 1 57 TYR QE . . 4.030 3.012 2.541 3.566 . 0 0 "[ . 1 . 2]" 1
1230 1 55 ILE MG 1 60 VAL MG2 . . 3.360 3.002 2.720 3.219 . 0 0 "[ . 1 . 2]" 1
1231 1 55 ILE MG 1 76 TYR QD . . 4.490 4.127 3.933 4.347 . 0 0 "[ . 1 . 2]" 1
1232 1 55 ILE MG 1 76 TYR QE . . 3.340 2.946 2.682 3.308 . 0 0 "[ . 1 . 2]" 1
1233 1 55 ILE MG 1 80 MET ME . . 4.930 4.063 3.499 4.707 . 0 0 "[ . 1 . 2]" 1
1234 1 56 ASN H 1 56 ASN HB2 . . 3.700 2.777 2.623 2.950 . 0 0 "[ . 1 . 2]" 1
1235 1 56 ASN H 1 56 ASN HB3 . . 4.140 2.857 2.733 2.997 . 0 0 "[ . 1 . 2]" 1
1236 1 56 ASN H 1 57 TYR H . . 4.650 3.954 3.699 4.161 . 0 0 "[ . 1 . 2]" 1
1237 1 56 ASN H 1 59 LEU MD1 . . 4.760 4.345 4.001 4.680 . 0 0 "[ . 1 . 2]" 1
1238 1 56 ASN H 1 76 TYR QE . . 4.080 2.546 2.358 2.809 . 0 0 "[ . 1 . 2]" 1
1239 1 56 ASN H 1 80 MET ME . . 4.660 4.055 3.389 4.662 0.002 20 0 "[ . 1 . 2]" 1
1240 1 56 ASN HA 1 57 TYR H . . 2.950 2.216 2.164 2.287 . 0 0 "[ . 1 . 2]" 1
1241 1 56 ASN HA 1 58 ASP H . . 4.570 3.596 3.489 3.713 . 0 0 "[ . 1 . 2]" 1
1242 1 56 ASN HB2 1 56 ASN QD . . 3.320 2.597 2.341 2.915 . 0 0 "[ . 1 . 2]" 1
1243 1 56 ASN HB2 1 56 ASN HD22 . . 3.850 3.661 3.537 3.827 . 0 0 "[ . 1 . 2]" 1
1244 1 56 ASN HB2 1 59 LEU MD1 . . 3.790 3.509 3.214 3.774 . 0 0 "[ . 1 . 2]" 1
1245 1 56 ASN HB2 1 59 LEU HG . . 4.580 4.490 4.262 4.579 . 0 0 "[ . 1 . 2]" 1
1246 1 56 ASN HB3 1 56 ASN HD22 . . 3.910 3.570 3.457 3.688 . 0 0 "[ . 1 . 2]" 1
1247 1 56 ASN HB3 1 59 LEU H . . 4.610 3.426 3.239 3.644 . 0 0 "[ . 1 . 2]" 1
1248 1 56 ASN HB3 1 59 LEU MD1 . . 3.600 2.403 1.992 2.765 . 0 0 "[ . 1 . 2]" 1
1249 1 56 ASN HB3 1 59 LEU MD2 . . 4.540 4.387 4.200 4.506 . 0 0 "[ . 1 . 2]" 1
1250 1 56 ASN HB3 1 59 LEU HG . . 4.310 2.954 2.715 3.068 . 0 0 "[ . 1 . 2]" 1
1251 1 56 ASN QD 1 58 ASP QB . . 4.180 2.814 2.298 3.220 . 0 0 "[ . 1 . 2]" 1
1252 1 56 ASN QD 1 59 LEU MD1 . . 3.450 2.506 2.133 2.897 . 0 0 "[ . 1 . 2]" 1
1253 1 56 ASN HD21 1 59 LEU MD1 . . 4.000 2.547 2.152 2.983 . 0 0 "[ . 1 . 2]" 1
1254 1 56 ASN HD21 1 59 LEU MD2 . . 4.560 3.755 3.221 4.324 . 0 0 "[ . 1 . 2]" 1
1255 1 56 ASN HD21 1 59 LEU HG . . 4.430 3.018 2.203 3.800 . 0 0 "[ . 1 . 2]" 1
1256 1 56 ASN HD22 1 59 LEU MD1 . . 4.000 3.798 3.501 3.987 . 0 0 "[ . 1 . 2]" 1
1257 1 56 ASN HD22 1 59 LEU MD2 . . 4.560 4.059 3.686 4.475 . 0 0 "[ . 1 . 2]" 1
1258 1 56 ASN HD22 1 59 LEU HG . . 4.430 3.635 3.235 4.024 . 0 0 "[ . 1 . 2]" 1
1259 1 57 TYR H 1 57 TYR HB2 . . 3.190 2.435 2.353 2.505 . 0 0 "[ . 1 . 2]" 1
1260 1 57 TYR H 1 57 TYR HB3 . . 3.660 3.583 3.568 3.592 . 0 0 "[ . 1 . 2]" 1
1261 1 57 TYR H 1 57 TYR QD . . 3.330 3.114 2.870 3.231 . 0 0 "[ . 1 . 2]" 1
1262 1 57 TYR H 1 57 TYR QE . . 4.730 4.574 4.428 4.714 . 0 0 "[ . 1 . 2]" 1
1263 1 57 TYR H 1 58 ASP H . . 3.420 2.710 2.587 2.838 . 0 0 "[ . 1 . 2]" 1
1264 1 57 TYR H 1 59 LEU H . . 4.600 4.412 4.328 4.548 . 0 0 "[ . 1 . 2]" 1
1265 1 57 TYR H 1 60 VAL MG2 . . 4.810 4.033 3.833 4.143 . 0 0 "[ . 1 . 2]" 1
1266 1 57 TYR HA 1 57 TYR QD . . 3.640 2.176 2.018 2.407 . 0 0 "[ . 1 . 2]" 1
1267 1 57 TYR HA 1 59 LEU H . . 3.900 3.730 3.556 3.873 . 0 0 "[ . 1 . 2]" 1
1268 1 57 TYR HA 1 60 VAL HB . . 3.490 2.104 2.012 2.272 . 0 0 "[ . 1 . 2]" 1
1269 1 57 TYR HA 1 60 VAL MG2 . . 3.180 2.169 1.978 2.455 . 0 0 "[ . 1 . 2]" 1
1270 1 57 TYR HB3 1 60 VAL MG1 . . 5.460 4.480 4.285 4.687 . 0 0 "[ . 1 . 2]" 1
1271 1 57 TYR HB3 1 60 VAL MG2 . . 4.620 4.269 4.011 4.515 . 0 0 "[ . 1 . 2]" 1
1272 1 57 TYR QD 1 60 VAL HB . . 4.410 2.544 2.372 2.810 . 0 0 "[ . 1 . 2]" 1
1273 1 57 TYR QD 1 60 VAL MG1 . . 4.400 2.947 2.687 3.204 . 0 0 "[ . 1 . 2]" 1
1274 1 57 TYR QD 1 60 VAL MG2 . . 4.680 2.709 2.396 3.169 . 0 0 "[ . 1 . 2]" 1
1275 1 57 TYR QE 1 60 VAL MG1 . . 4.340 3.899 3.621 4.269 . 0 0 "[ . 1 . 2]" 1
1276 1 57 TYR QE 1 60 VAL MG2 . . 4.510 3.939 3.704 4.288 . 0 0 "[ . 1 . 2]" 1
1277 1 58 ASP H 1 58 ASP HB2 . . 3.820 2.457 2.237 2.972 . 0 0 "[ . 1 . 2]" 1
1278 1 58 ASP H 1 58 ASP QB . . 3.220 2.376 2.176 2.827 . 0 0 "[ . 1 . 2]" 1
1279 1 58 ASP H 1 58 ASP HB3 . . 3.820 3.208 2.713 3.619 . 0 0 "[ . 1 . 2]" 1
1280 1 58 ASP H 1 59 LEU H . . 3.230 2.959 2.921 3.024 . 0 0 "[ . 1 . 2]" 1
1281 1 58 ASP H 1 59 LEU HG . . 4.700 4.556 4.437 4.686 . 0 0 "[ . 1 . 2]" 1
1282 1 58 ASP H 1 60 VAL H . . 4.570 4.260 4.134 4.361 . 0 0 "[ . 1 . 2]" 1
1283 1 58 ASP HA 1 60 VAL H . . 4.870 4.751 4.585 4.853 . 0 0 "[ . 1 . 2]" 1
1284 1 58 ASP QB 1 59 LEU H . . 3.630 2.692 2.550 2.808 . 0 0 "[ . 1 . 2]" 1
1285 1 58 ASP QB 1 59 LEU MD2 . . 3.820 3.327 3.109 3.569 . 0 0 "[ . 1 . 2]" 1
1286 1 58 ASP QB 1 59 LEU HG . . 4.110 2.867 2.760 3.058 . 0 0 "[ . 1 . 2]" 1
1287 1 58 ASP QB 1 60 VAL H . . 5.030 4.703 4.602 4.782 . 0 0 "[ . 1 . 2]" 1
1288 1 58 ASP HB2 1 59 LEU H . . 4.400 3.347 2.620 3.952 . 0 0 "[ . 1 . 2]" 1
1289 1 58 ASP HB2 1 59 LEU HG . . 4.720 3.830 2.791 4.610 . 0 0 "[ . 1 . 2]" 1
1290 1 58 ASP HB3 1 59 LEU H . . 4.400 3.195 2.596 4.041 . 0 0 "[ . 1 . 2]" 1
1291 1 58 ASP HB3 1 59 LEU HG . . 4.720 3.400 2.807 4.367 . 0 0 "[ . 1 . 2]" 1
1292 1 59 LEU H 1 59 LEU HB2 . . 3.040 2.599 2.559 2.654 . 0 0 "[ . 1 . 2]" 1
1293 1 59 LEU H 1 59 LEU HB3 . . 3.800 3.651 3.626 3.682 . 0 0 "[ . 1 . 2]" 1
1294 1 59 LEU H 1 59 LEU MD1 . . 3.680 3.563 3.467 3.659 . 0 0 "[ . 1 . 2]" 1
1295 1 59 LEU H 1 59 LEU MD2 . . 3.740 3.490 3.411 3.579 . 0 0 "[ . 1 . 2]" 1
1296 1 59 LEU H 1 59 LEU HG . . 3.800 2.289 2.217 2.397 . 0 0 "[ . 1 . 2]" 1
1297 1 59 LEU H 1 60 VAL H . . 3.070 2.286 2.172 2.414 . 0 0 "[ . 1 . 2]" 1
1298 1 59 LEU H 1 60 VAL HB . . 4.740 4.507 4.354 4.642 . 0 0 "[ . 1 . 2]" 1
1299 1 59 LEU H 1 60 VAL MG2 . . 4.080 3.748 3.583 3.930 . 0 0 "[ . 1 . 2]" 1
1300 1 59 LEU HA 1 59 LEU MD1 . . 4.150 3.949 3.928 3.972 . 0 0 "[ . 1 . 2]" 1
1301 1 59 LEU HA 1 59 LEU MD2 . . 2.840 2.190 2.047 2.409 . 0 0 "[ . 1 . 2]" 1
1302 1 59 LEU HA 1 59 LEU HG . . 4.070 3.160 3.126 3.205 . 0 0 "[ . 1 . 2]" 1
1303 1 59 LEU HB2 1 59 LEU MD1 . . 3.300 2.207 2.102 2.334 . 0 0 "[ . 1 . 2]" 1
1304 1 59 LEU HB2 1 60 VAL H . . 3.880 2.638 2.512 2.768 . 0 0 "[ . 1 . 2]" 1
1305 1 59 LEU HB2 1 60 VAL MG2 . . 4.140 3.218 3.065 3.391 . 0 0 "[ . 1 . 2]" 1
1306 1 59 LEU HB2 1 76 TYR QE . . 4.510 3.892 3.497 4.138 . 0 0 "[ . 1 . 2]" 1
1307 1 59 LEU HB3 1 59 LEU MD1 . . 3.590 2.459 2.377 2.558 . 0 0 "[ . 1 . 2]" 1
1308 1 59 LEU HB3 1 59 LEU MD2 . . 3.210 2.286 2.165 2.376 . 0 0 "[ . 1 . 2]" 1
1309 1 59 LEU HB3 1 60 VAL H . . 4.360 3.826 3.708 3.912 . 0 0 "[ . 1 . 2]" 1
1310 1 59 LEU MD1 1 76 TYR QD . . 4.400 4.139 3.841 4.401 0.001 8 0 "[ . 1 . 2]" 1
1311 1 59 LEU MD1 1 76 TYR QE . . 3.580 2.808 2.331 3.242 . 0 0 "[ . 1 . 2]" 1
1312 1 59 LEU MD2 1 60 VAL H . . 4.740 4.685 4.637 4.732 . 0 0 "[ . 1 . 2]" 1
1313 1 60 VAL H 1 60 VAL HB . . 3.040 2.568 2.495 2.630 . 0 0 "[ . 1 . 2]" 1
1314 1 60 VAL H 1 60 VAL MG1 . . 3.930 3.764 3.761 3.765 . 0 0 "[ . 1 . 2]" 1
1315 1 60 VAL H 1 60 VAL MG2 . . 3.210 2.145 2.001 2.385 . 0 0 "[ . 1 . 2]" 1
1316 1 60 VAL H 1 61 LYS H . . 4.790 4.595 4.523 4.632 . 0 0 "[ . 1 . 2]" 1
1317 1 60 VAL HA 1 60 VAL MG1 . . 3.050 2.381 2.271 2.465 . 0 0 "[ . 1 . 2]" 1
1318 1 60 VAL HA 1 60 VAL MG2 . . 3.420 2.368 2.265 2.454 . 0 0 "[ . 1 . 2]" 1
1319 1 60 VAL HA 1 61 LYS H . . 2.870 2.194 2.146 2.256 . 0 0 "[ . 1 . 2]" 1
1320 1 60 VAL HA 1 61 LYS HB2 . . 4.380 4.317 4.257 4.390 0.010 17 0 "[ . 1 . 2]" 1
1321 1 60 VAL HA 1 61 LYS QG . . 4.680 4.215 3.977 4.397 . 0 0 "[ . 1 . 2]" 1
1322 1 60 VAL HA 1 73 ASN HA . . 4.610 4.008 3.726 4.221 . 0 0 "[ . 1 . 2]" 1
1323 1 60 VAL HA 1 73 ASN HD21 . . 5.500 4.948 4.626 5.253 . 0 0 "[ . 1 . 2]" 1
1324 1 60 VAL HA 1 73 ASN HD22 . . 5.340 4.776 4.448 5.139 . 0 0 "[ . 1 . 2]" 1
1325 1 60 VAL HB 1 61 LYS H . . 4.270 4.032 3.864 4.228 . 0 0 "[ . 1 . 2]" 1
1326 1 60 VAL MG1 1 61 LYS H . . 3.390 2.257 1.937 2.569 . 0 0 "[ . 1 . 2]" 1
1327 1 60 VAL MG1 1 61 LYS HB2 . . 5.410 3.938 3.752 4.207 . 0 0 "[ . 1 . 2]" 1
1328 1 60 VAL MG1 1 61 LYS QG . . 5.050 4.611 4.445 4.770 . 0 0 "[ . 1 . 2]" 1
1329 1 60 VAL MG1 1 73 ASN HA . . 4.650 3.545 3.312 3.866 . 0 0 "[ . 1 . 2]" 1
1330 1 60 VAL MG1 1 73 ASN HB2 . . 5.500 4.825 4.571 5.160 . 0 0 "[ . 1 . 2]" 1
1331 1 60 VAL MG1 1 73 ASN HB3 . . 5.140 3.512 3.222 3.817 . 0 0 "[ . 1 . 2]" 1
1332 1 60 VAL MG1 1 73 ASN HD22 . . 4.380 3.196 2.754 3.565 . 0 0 "[ . 1 . 2]" 1
1333 1 60 VAL MG1 1 76 TYR QD . . 4.080 3.941 3.536 4.081 0.001 15 0 "[ . 1 . 2]" 1
1334 1 60 VAL MG2 1 61 LYS H . . 4.040 3.962 3.865 4.041 0.001 17 0 "[ . 1 . 2]" 1
1335 1 60 VAL MG2 1 76 TYR QD . . 3.390 2.330 1.996 2.577 . 0 0 "[ . 1 . 2]" 1
1336 1 60 VAL MG2 1 76 TYR QE . . 3.420 2.632 2.337 2.797 . 0 0 "[ . 1 . 2]" 1
1337 1 61 LYS H 1 61 LYS HB2 . . 3.240 2.259 2.197 2.354 . 0 0 "[ . 1 . 2]" 1
1338 1 61 LYS H 1 61 LYS HB3 . . 3.930 3.529 3.489 3.598 . 0 0 "[ . 1 . 2]" 1
1339 1 61 LYS H 1 61 LYS QD . . 4.630 4.381 4.255 4.584 . 0 0 "[ . 1 . 2]" 1
1340 1 61 LYS H 1 61 LYS QG . . 3.470 3.039 2.813 3.231 . 0 0 "[ . 1 . 2]" 1
1341 1 61 LYS H 1 62 SER H . . 4.660 4.537 4.493 4.576 . 0 0 "[ . 1 . 2]" 1
1342 1 61 LYS H 1 65 LEU MD2 . . 4.440 4.006 3.659 4.238 . 0 0 "[ . 1 . 2]" 1
1343 1 61 LYS H 1 73 ASN HA . . 4.880 3.838 3.564 4.216 . 0 0 "[ . 1 . 2]" 1
1344 1 61 LYS H 1 73 ASN HD21 . . 3.800 3.547 3.175 3.788 . 0 0 "[ . 1 . 2]" 1
1345 1 61 LYS H 1 73 ASN HD22 . . 4.010 2.810 2.342 3.043 . 0 0 "[ . 1 . 2]" 1
1346 1 61 LYS HA 1 61 LYS QD . . 3.300 2.309 1.990 3.170 . 0 0 "[ . 1 . 2]" 1
1347 1 61 LYS HA 1 61 LYS QG . . 3.840 2.494 2.379 2.606 . 0 0 "[ . 1 . 2]" 1
1348 1 61 LYS HA 1 62 SER H . . 2.680 2.492 2.236 2.606 . 0 0 "[ . 1 . 2]" 1
1349 1 61 LYS HB2 1 61 LYS QG . . 2.790 2.153 2.144 2.163 . 0 0 "[ . 1 . 2]" 1
1350 1 61 LYS HB2 1 62 SER H . . 4.350 3.700 3.448 4.183 . 0 0 "[ . 1 . 2]" 1
1351 1 61 LYS HB2 1 65 LEU MD2 . . 3.830 2.479 2.040 2.817 . 0 0 "[ . 1 . 2]" 1
1352 1 61 LYS HB2 1 69 ASP HA . . 4.950 4.686 4.175 4.895 . 0 0 "[ . 1 . 2]" 1
1353 1 61 LYS HB2 1 69 ASP HB3 . . 4.280 3.705 3.271 3.984 . 0 0 "[ . 1 . 2]" 1
1354 1 61 LYS HB2 1 73 ASN H . . 5.080 4.557 4.217 4.965 . 0 0 "[ . 1 . 2]" 1
1355 1 61 LYS HB2 1 73 ASN HD21 . . 4.770 3.830 3.496 4.470 . 0 0 "[ . 1 . 2]" 1
1356 1 61 LYS HB2 1 73 ASN HD22 . . 4.140 2.327 2.022 2.848 . 0 0 "[ . 1 . 2]" 1
1357 1 61 LYS HB3 1 61 LYS QE . . 4.670 3.596 2.044 4.092 . 0 0 "[ . 1 . 2]" 1
1358 1 61 LYS HB3 1 62 SER H . . 3.580 2.280 2.008 2.980 . 0 0 "[ . 1 . 2]" 1
1359 1 61 LYS HB3 1 65 LEU MD2 . . 3.720 2.002 1.832 2.206 . 0 0 "[ . 1 . 2]" 1
1360 1 61 LYS HB3 1 69 ASP HB3 . . 4.280 3.642 3.423 3.902 . 0 0 "[ . 1 . 2]" 1
1361 1 61 LYS QD 1 62 SER H . . 3.480 2.716 2.441 2.988 . 0 0 "[ . 1 . 2]" 1
1362 1 61 LYS QD 1 65 LEU MD2 . . 4.160 3.278 3.052 3.667 . 0 0 "[ . 1 . 2]" 1
1363 1 61 LYS QD 1 69 ASP HB3 . . 4.750 4.379 3.724 4.749 . 0 0 "[ . 1 . 2]" 1
1364 1 61 LYS QE 1 61 LYS QG . . 3.320 2.221 2.066 2.476 . 0 0 "[ . 1 . 2]" 1
1365 1 61 LYS QE 1 62 SER H . . 5.210 4.448 3.029 5.035 . 0 0 "[ . 1 . 2]" 1
1366 1 61 LYS QE 1 65 LEU MD2 . . 4.940 4.226 2.033 4.855 . 0 0 "[ . 1 . 2]" 1
1367 1 61 LYS QG 1 62 SER H . . 4.190 3.926 3.832 4.158 . 0 0 "[ . 1 . 2]" 1
1368 1 61 LYS QG 1 65 LEU MD1 . . 5.500 5.070 4.761 5.323 . 0 0 "[ . 1 . 2]" 1
1369 1 61 LYS QG 1 65 LEU MD2 . . 4.080 3.341 3.011 3.682 . 0 0 "[ . 1 . 2]" 1
1370 1 61 LYS QG 1 69 ASP HA . . 4.190 3.956 3.769 4.170 . 0 0 "[ . 1 . 2]" 1
1371 1 61 LYS QG 1 69 ASP HB3 . . 4.200 3.601 3.206 4.039 . 0 0 "[ . 1 . 2]" 1
1372 1 62 SER H 1 62 SER HB2 . . 4.010 3.786 3.050 4.022 0.012 17 0 "[ . 1 . 2]" 1
1373 1 62 SER H 1 62 SER QB . . 3.360 3.213 2.905 3.356 . 0 0 "[ . 1 . 2]" 1
1374 1 62 SER H 1 62 SER HB3 . . 4.010 3.586 3.140 4.019 0.009 19 0 "[ . 1 . 2]" 1
1375 1 62 SER H 1 63 GLY H . . 4.440 4.309 4.150 4.396 . 0 0 "[ . 1 . 2]" 1
1376 1 62 SER H 1 65 LEU MD2 . . 3.970 2.662 2.326 3.549 . 0 0 "[ . 1 . 2]" 1
1377 1 62 SER HA 1 63 GLY H . . 3.030 2.335 2.194 2.577 . 0 0 "[ . 1 . 2]" 1
1378 1 62 SER QB 1 63 GLY H . . 3.090 2.654 2.116 3.073 . 0 0 "[ . 1 . 2]" 1
1379 1 62 SER QB 1 65 LEU MD2 . . 4.770 4.065 3.675 4.343 . 0 0 "[ . 1 . 2]" 1
1380 1 63 GLY H 1 63 GLY QA . . 2.580 2.276 2.219 2.381 . 0 0 "[ . 1 . 2]" 1
1381 1 63 GLY H 1 64 ASN H . . 4.730 4.337 3.249 4.606 . 0 0 "[ . 1 . 2]" 1
1382 1 63 GLY H 1 65 LEU MD1 . . 4.170 3.896 3.329 4.166 . 0 0 "[ . 1 . 2]" 1
1383 1 63 GLY H 1 65 LEU MD2 . . 4.050 3.685 3.096 3.964 . 0 0 "[ . 1 . 2]" 1
1384 1 63 GLY H 1 65 LEU HG . . 4.210 3.729 2.802 4.133 . 0 0 "[ . 1 . 2]" 1
1385 1 63 GLY QA 1 65 LEU H . . 5.340 4.567 4.215 4.874 . 0 0 "[ . 1 . 2]" 1
1386 1 63 GLY QA 1 65 LEU MD2 . . 5.170 4.149 3.684 4.378 . 0 0 "[ . 1 . 2]" 1
1387 1 64 ASN H 1 65 LEU H . . 4.660 3.968 2.780 4.219 . 0 0 "[ . 1 . 2]" 1
1388 1 64 ASN HA 1 65 LEU H . . 2.630 2.281 2.180 2.628 . 0 0 "[ . 1 . 2]" 1
1389 1 64 ASN QB 1 65 LEU H . . 4.180 3.795 3.600 4.030 . 0 0 "[ . 1 . 2]" 1
1390 1 64 ASN QB 1 65 LEU MD2 . . 5.210 4.955 4.763 5.174 . 0 0 "[ . 1 . 2]" 1
1391 1 64 ASN HB2 1 65 LEU H . . 5.030 4.437 3.839 4.626 . 0 0 "[ . 1 . 2]" 1
1392 1 64 ASN HB3 1 65 LEU H . . 5.030 4.151 3.925 4.502 . 0 0 "[ . 1 . 2]" 1
1393 1 65 LEU H 1 65 LEU HB2 . . 3.510 2.608 2.491 2.779 . 0 0 "[ . 1 . 2]" 1
1394 1 65 LEU H 1 65 LEU MD1 . . 3.810 3.573 3.444 3.719 . 0 0 "[ . 1 . 2]" 1
1395 1 65 LEU H 1 65 LEU MD2 . . 3.680 3.407 3.111 3.618 . 0 0 "[ . 1 . 2]" 1
1396 1 65 LEU H 1 65 LEU HG . . 2.710 2.251 1.917 2.483 . 0 0 "[ . 1 . 2]" 1
1397 1 65 LEU H 1 66 THR H . . 4.520 4.363 4.253 4.486 . 0 0 "[ . 1 . 2]" 1
1398 1 65 LEU H 1 69 ASP HB2 . . 4.830 4.768 4.634 4.838 0.008 8 0 "[ . 1 . 2]" 1
1399 1 65 LEU H 1 70 LYS QE . . 5.340 4.151 3.907 4.623 . 0 0 "[ . 1 . 2]" 1
1400 1 65 LEU HA 1 65 LEU MD2 . . 3.020 2.191 1.991 2.543 . 0 0 "[ . 1 . 2]" 1
1401 1 65 LEU HA 1 65 LEU HG . . 4.190 3.183 3.066 3.290 . 0 0 "[ . 1 . 2]" 1
1402 1 65 LEU HA 1 66 THR H . . 2.920 2.147 2.138 2.157 . 0 0 "[ . 1 . 2]" 1
1403 1 65 LEU HA 1 69 ASP HB2 . . 4.690 2.287 2.090 2.466 . 0 0 "[ . 1 . 2]" 1
1404 1 65 LEU HA 1 69 ASP HB3 . . 4.760 2.695 2.414 2.850 . 0 0 "[ . 1 . 2]" 1
1405 1 65 LEU HB2 1 65 LEU MD1 . . 3.480 2.192 2.097 2.365 . 0 0 "[ . 1 . 2]" 1
1406 1 65 LEU HB2 1 66 THR H . . 4.610 4.241 3.989 4.350 . 0 0 "[ . 1 . 2]" 1
1407 1 65 LEU HB2 1 69 ASP HB2 . . 4.090 3.579 3.368 3.750 . 0 0 "[ . 1 . 2]" 1
1408 1 65 LEU HB2 1 69 ASP HB3 . . 4.640 4.015 3.722 4.439 . 0 0 "[ . 1 . 2]" 1
1409 1 65 LEU HB2 1 70 LYS H . . 4.130 3.464 3.127 3.636 . 0 0 "[ . 1 . 2]" 1
1410 1 65 LEU HB2 1 70 LYS HE2 . . 4.680 3.800 3.106 4.667 . 0 0 "[ . 1 . 2]" 1
1411 1 65 LEU HB2 1 70 LYS QE . . 4.100 3.115 2.778 3.495 . 0 0 "[ . 1 . 2]" 1
1412 1 65 LEU HB2 1 70 LYS HE3 . . 4.680 3.444 2.904 4.156 . 0 0 "[ . 1 . 2]" 1
1413 1 65 LEU HB3 1 65 LEU MD1 . . 3.550 2.482 2.336 2.579 . 0 0 "[ . 1 . 2]" 1
1414 1 65 LEU HB3 1 65 LEU MD2 . . 3.070 2.304 2.154 2.404 . 0 0 "[ . 1 . 2]" 1
1415 1 65 LEU HB3 1 66 THR H . . 3.930 3.589 3.371 3.709 . 0 0 "[ . 1 . 2]" 1
1416 1 65 LEU HB3 1 69 ASP HB2 . . 4.640 2.205 2.009 2.361 . 0 0 "[ . 1 . 2]" 1
1417 1 65 LEU HB3 1 69 ASP HB3 . . 3.900 2.311 2.029 2.763 . 0 0 "[ . 1 . 2]" 1
1418 1 65 LEU HB3 1 70 LYS H . . 3.980 2.493 2.381 2.643 . 0 0 "[ . 1 . 2]" 1
1419 1 65 LEU HB3 1 70 LYS HA . . 4.230 2.897 2.657 3.088 . 0 0 "[ . 1 . 2]" 1
1420 1 65 LEU HB3 1 73 ASN H . . 5.500 5.175 4.960 5.396 . 0 0 "[ . 1 . 2]" 1
1421 1 65 LEU MD1 1 66 THR H . . 5.450 5.362 5.219 5.449 . 0 0 "[ . 1 . 2]" 1
1422 1 65 LEU MD1 1 69 ASP HB2 . . 4.580 4.275 4.084 4.405 . 0 0 "[ . 1 . 2]" 1
1423 1 65 LEU MD1 1 69 ASP HB3 . . 4.520 3.732 3.450 4.178 . 0 0 "[ . 1 . 2]" 1
1424 1 65 LEU MD1 1 70 LYS H . . 4.160 4.056 3.874 4.145 . 0 0 "[ . 1 . 2]" 1
1425 1 65 LEU MD1 1 70 LYS HA . . 4.100 2.666 2.407 2.866 . 0 0 "[ . 1 . 2]" 1
1426 1 65 LEU MD1 1 70 LYS QB . . 4.610 4.124 3.764 4.290 . 0 0 "[ . 1 . 2]" 1
1427 1 65 LEU MD1 1 70 LYS QE . . 4.160 3.875 3.367 4.123 . 0 0 "[ . 1 . 2]" 1
1428 1 65 LEU MD1 1 70 LYS HG2 . . 4.550 2.824 2.237 3.088 . 0 0 "[ . 1 . 2]" 1
1429 1 65 LEU MD1 1 70 LYS HG3 . . 3.930 3.498 3.164 3.830 . 0 0 "[ . 1 . 2]" 1
1430 1 65 LEU MD1 1 73 ASN H . . 4.630 4.387 3.876 4.601 . 0 0 "[ . 1 . 2]" 1
1431 1 65 LEU MD1 1 73 ASN HB3 . . 4.890 3.614 3.318 3.826 . 0 0 "[ . 1 . 2]" 1
1432 1 65 LEU MD1 1 73 ASN HD21 . . 4.090 2.641 2.268 3.006 . 0 0 "[ . 1 . 2]" 1
1433 1 65 LEU MD1 1 73 ASN HD22 . . 4.350 2.417 2.087 2.712 . 0 0 "[ . 1 . 2]" 1
1434 1 65 LEU MD2 1 66 THR H . . 4.220 3.929 3.682 4.209 . 0 0 "[ . 1 . 2]" 1
1435 1 65 LEU MD2 1 69 ASP HA . . 4.300 4.087 3.882 4.260 . 0 0 "[ . 1 . 2]" 1
1436 1 65 LEU MD2 1 69 ASP HB2 . . 3.540 3.092 2.857 3.304 . 0 0 "[ . 1 . 2]" 1
1437 1 65 LEU MD2 1 69 ASP HB3 . . 3.350 2.087 1.950 2.351 . 0 0 "[ . 1 . 2]" 1
1438 1 65 LEU MD2 1 70 LYS H . . 4.440 4.138 3.942 4.311 . 0 0 "[ . 1 . 2]" 1
1439 1 65 LEU MD2 1 70 LYS HA . . 4.160 3.993 3.768 4.124 . 0 0 "[ . 1 . 2]" 1
1440 1 65 LEU MD2 1 70 LYS QB . . 5.420 5.289 5.116 5.409 . 0 0 "[ . 1 . 2]" 1
1441 1 65 LEU MD2 1 73 ASN HD21 . . 3.850 3.411 3.213 3.691 . 0 0 "[ . 1 . 2]" 1
1442 1 65 LEU MD2 1 73 ASN HD22 . . 4.390 2.152 1.963 2.534 . 0 0 "[ . 1 . 2]" 1
1443 1 66 THR H 1 66 THR HG1 . . 4.860 3.327 1.916 4.408 . 0 0 "[ . 1 . 2]" 1
1444 1 66 THR H 1 66 THR MG . . 3.110 2.226 2.012 2.488 . 0 0 "[ . 1 . 2]" 1
1445 1 66 THR H 1 69 ASP H . . 3.990 3.391 3.088 3.552 . 0 0 "[ . 1 . 2]" 1
1446 1 66 THR H 1 69 ASP HA . . 4.960 4.793 4.572 4.925 . 0 0 "[ . 1 . 2]" 1
1447 1 66 THR H 1 69 ASP HB2 . . 3.360 2.124 1.906 2.304 . 0 0 "[ . 1 . 2]" 1
1448 1 66 THR H 1 69 ASP HB3 . . 3.600 3.493 3.364 3.604 0.004 8 0 "[ . 1 . 2]" 1
1449 1 66 THR H 1 70 LYS H . . 4.050 3.821 3.277 4.052 0.002 8 0 "[ . 1 . 2]" 1
1450 1 66 THR HA 1 66 THR MG . . 3.280 2.705 2.301 3.206 . 0 0 "[ . 1 . 2]" 1
1451 1 66 THR HA 1 67 GLU H . . 3.160 2.466 2.347 2.605 . 0 0 "[ . 1 . 2]" 1
1452 1 66 THR HG1 1 69 ASP H . . 4.790 3.347 2.021 4.791 0.001 10 0 "[ . 1 . 2]" 1
1453 1 66 THR MG 1 67 GLU H . . 3.720 3.487 3.093 3.698 . 0 0 "[ . 1 . 2]" 1
1454 1 66 THR MG 1 67 GLU QG . . 5.500 4.411 2.868 5.425 . 0 0 "[ . 1 . 2]" 1
1455 1 66 THR MG 1 68 ASP H . . 4.490 3.419 1.879 4.482 . 0 0 "[ . 1 . 2]" 1
1456 1 66 THR MG 1 68 ASP QB . . 4.690 3.654 1.993 4.638 . 0 0 "[ . 1 . 2]" 1
1457 1 66 THR MG 1 69 ASP H . . 4.380 3.315 1.811 4.368 . 0 0 "[ . 1 . 2]" 1
1458 1 66 THR MG 1 69 ASP HB2 . . 4.440 3.549 2.538 4.176 . 0 0 "[ . 1 . 2]" 1
1459 1 66 THR MG 1 69 ASP HB3 . . 5.500 4.687 3.723 5.301 . 0 0 "[ . 1 . 2]" 1
1460 1 67 GLU H 1 67 GLU HB2 . . 3.880 3.047 2.350 3.617 . 0 0 "[ . 1 . 2]" 1
1461 1 67 GLU H 1 67 GLU QB . . 3.130 2.438 2.217 2.627 . 0 0 "[ . 1 . 2]" 1
1462 1 67 GLU H 1 67 GLU HB3 . . 3.880 3.036 2.241 3.625 . 0 0 "[ . 1 . 2]" 1
1463 1 67 GLU H 1 67 GLU QG . . 3.380 2.397 1.912 2.866 . 0 0 "[ . 1 . 2]" 1
1464 1 67 GLU H 1 68 ASP H . . 3.660 2.966 2.685 3.126 . 0 0 "[ . 1 . 2]" 1
1465 1 67 GLU HA 1 67 GLU QG . . 3.680 2.874 2.154 3.340 . 0 0 "[ . 1 . 2]" 1
1466 1 67 GLU HA 1 70 LYS H . . 4.510 4.362 4.111 4.506 . 0 0 "[ . 1 . 2]" 1
1467 1 67 GLU HA 1 70 LYS QB . . 3.800 3.252 3.055 3.564 . 0 0 "[ . 1 . 2]" 1
1468 1 67 GLU HA 1 70 LYS QD . . 3.640 3.237 2.917 3.566 . 0 0 "[ . 1 . 2]" 1
1469 1 67 GLU HA 1 70 LYS QE . . 5.130 4.711 3.936 5.115 . 0 0 "[ . 1 . 2]" 1
1470 1 67 GLU HA 1 70 LYS HG3 . . 4.810 4.368 3.993 4.617 . 0 0 "[ . 1 . 2]" 1
1471 1 67 GLU HA 1 71 HIS HD2 . . 4.960 4.034 3.524 4.564 . 0 0 "[ . 1 . 2]" 1
1472 1 67 GLU HA 1 96 VAL MG1 . . 4.620 4.268 3.910 4.619 . 0 0 "[ . 1 . 2]" 1
1473 1 67 GLU QB 1 68 ASP H . . 3.770 3.020 2.361 3.658 . 0 0 "[ . 1 . 2]" 1
1474 1 67 GLU HB2 1 68 ASP H . . 4.300 3.243 2.402 4.020 . 0 0 "[ . 1 . 2]" 1
1475 1 67 GLU HB3 1 68 ASP H . . 4.300 3.719 3.123 4.207 . 0 0 "[ . 1 . 2]" 1
1476 1 67 GLU QG 1 68 ASP H . . 4.960 3.214 1.882 4.428 . 0 0 "[ . 1 . 2]" 1
1477 1 68 ASP H 1 68 ASP QB . . 3.260 2.310 2.175 2.680 . 0 0 "[ . 1 . 2]" 1
1478 1 68 ASP H 1 69 ASP H . . 3.850 2.679 2.373 2.885 . 0 0 "[ . 1 . 2]" 1
1479 1 68 ASP HA 1 71 HIS H . . 4.020 3.724 3.462 3.965 . 0 0 "[ . 1 . 2]" 1
1480 1 68 ASP HA 1 71 HIS HB2 . . 4.080 2.929 2.740 3.124 . 0 0 "[ . 1 . 2]" 1
1481 1 68 ASP HA 1 71 HIS HB3 . . 4.740 4.468 4.248 4.620 . 0 0 "[ . 1 . 2]" 1
1482 1 68 ASP HA 1 71 HIS HD2 . . 4.780 3.616 2.822 4.290 . 0 0 "[ . 1 . 2]" 1
1483 1 68 ASP HA 1 72 ASN QD . . 5.000 4.095 3.255 4.820 . 0 0 "[ . 1 . 2]" 1
1484 1 68 ASP QB 1 69 ASP H . . 3.520 2.247 1.907 2.602 . 0 0 "[ . 1 . 2]" 1
1485 1 68 ASP QB 1 72 ASN HD21 . . 4.580 3.713 2.818 4.421 . 0 0 "[ . 1 . 2]" 1
1486 1 68 ASP QB 1 72 ASN QD . . 4.000 3.240 2.463 3.900 . 0 0 "[ . 1 . 2]" 1
1487 1 68 ASP QB 1 72 ASN HD22 . . 4.580 3.626 2.717 4.481 . 0 0 "[ . 1 . 2]" 1
1488 1 69 ASP H 1 69 ASP HB2 . . 3.970 2.559 2.357 2.768 . 0 0 "[ . 1 . 2]" 1
1489 1 69 ASP H 1 69 ASP HB3 . . 4.190 3.600 3.570 3.625 . 0 0 "[ . 1 . 2]" 1
1490 1 69 ASP H 1 70 LYS H . . 3.430 3.091 2.914 3.215 . 0 0 "[ . 1 . 2]" 1
1491 1 69 ASP H 1 71 HIS H . . 4.630 4.475 4.317 4.604 . 0 0 "[ . 1 . 2]" 1
1492 1 69 ASP HA 1 72 ASN H . . 3.710 3.393 3.238 3.534 . 0 0 "[ . 1 . 2]" 1
1493 1 69 ASP HA 1 72 ASN HB2 . . 3.410 2.476 2.132 2.821 . 0 0 "[ . 1 . 2]" 1
1494 1 69 ASP HA 1 72 ASN HB3 . . 4.620 4.043 3.661 4.427 . 0 0 "[ . 1 . 2]" 1
1495 1 69 ASP HA 1 72 ASN HD21 . . 4.190 2.295 1.943 2.998 . 0 0 "[ . 1 . 2]" 1
1496 1 69 ASP HA 1 72 ASN QD . . 3.640 2.273 1.935 2.931 . 0 0 "[ . 1 . 2]" 1
1497 1 69 ASP HA 1 72 ASN HD22 . . 4.190 3.772 3.072 4.135 . 0 0 "[ . 1 . 2]" 1
1498 1 69 ASP HB2 1 70 LYS H . . 3.650 2.235 2.040 2.410 . 0 0 "[ . 1 . 2]" 1
1499 1 69 ASP HB3 1 70 LYS H . . 3.900 3.201 2.991 3.518 . 0 0 "[ . 1 . 2]" 1
1500 1 70 LYS H 1 70 LYS QB . . 3.280 2.379 2.277 2.531 . 0 0 "[ . 1 . 2]" 1
1501 1 70 LYS H 1 70 LYS QD . . 4.670 3.937 3.716 4.147 . 0 0 "[ . 1 . 2]" 1
1502 1 70 LYS H 1 70 LYS HG2 . . 3.790 3.567 3.212 3.765 . 0 0 "[ . 1 . 2]" 1
1503 1 70 LYS H 1 70 LYS HG3 . . 3.770 2.445 2.196 2.647 . 0 0 "[ . 1 . 2]" 1
1504 1 70 LYS H 1 71 HIS H . . 3.460 3.043 2.885 3.144 . 0 0 "[ . 1 . 2]" 1
1505 1 70 LYS HA 1 70 LYS HG2 . . 4.020 2.423 2.318 2.521 . 0 0 "[ . 1 . 2]" 1
1506 1 70 LYS HA 1 70 LYS HG3 . . 3.930 2.908 2.782 3.124 . 0 0 "[ . 1 . 2]" 1
1507 1 70 LYS HA 1 73 ASN H . . 3.880 3.737 3.461 3.863 . 0 0 "[ . 1 . 2]" 1
1508 1 70 LYS HA 1 73 ASN HB2 . . 4.210 3.070 2.810 3.302 . 0 0 "[ . 1 . 2]" 1
1509 1 70 LYS HA 1 96 VAL MG2 . . 5.060 4.372 4.004 4.783 . 0 0 "[ . 1 . 2]" 1
1510 1 70 LYS QB 1 70 LYS HE2 . . 5.070 4.003 3.825 4.257 . 0 0 "[ . 1 . 2]" 1
1511 1 70 LYS QB 1 70 LYS QE . . 4.290 3.516 3.391 3.636 . 0 0 "[ . 1 . 2]" 1
1512 1 70 LYS QB 1 70 LYS HE3 . . 5.070 3.914 3.646 4.122 . 0 0 "[ . 1 . 2]" 1
1513 1 70 LYS QB 1 71 HIS H . . 3.380 2.434 2.309 2.596 . 0 0 "[ . 1 . 2]" 1
1514 1 70 LYS QB 1 71 HIS HA . . 4.820 3.802 3.772 3.835 . 0 0 "[ . 1 . 2]" 1
1515 1 70 LYS QB 1 71 HIS HD2 . . 4.640 3.779 3.062 4.630 . 0 0 "[ . 1 . 2]" 1
1516 1 70 LYS QB 1 96 VAL HA . . 4.720 3.527 3.310 3.896 . 0 0 "[ . 1 . 2]" 1
1517 1 70 LYS QB 1 96 VAL MG1 . . 4.120 2.707 2.041 3.086 . 0 0 "[ . 1 . 2]" 1
1518 1 70 LYS QB 1 96 VAL MG2 . . 4.120 2.668 2.156 3.071 . 0 0 "[ . 1 . 2]" 1
1519 1 70 LYS QD 1 96 VAL MG1 . . 3.920 2.863 2.151 3.256 . 0 0 "[ . 1 . 2]" 1
1520 1 70 LYS QD 1 96 VAL MG2 . . 4.720 4.028 3.580 4.370 . 0 0 "[ . 1 . 2]" 1
1521 1 70 LYS QE 1 96 VAL MG1 . . 5.340 4.651 4.024 5.100 . 0 0 "[ . 1 . 2]" 1
1522 1 70 LYS HE2 1 70 LYS HG3 . . 4.170 3.077 2.532 3.791 . 0 0 "[ . 1 . 2]" 1
1523 1 70 LYS HE3 1 70 LYS HG3 . . 4.170 2.541 2.221 2.882 . 0 0 "[ . 1 . 2]" 1
1524 1 70 LYS HG3 1 71 HIS H . . 4.720 4.537 4.316 4.697 . 0 0 "[ . 1 . 2]" 1
1525 1 71 HIS H 1 71 HIS HB2 . . 3.100 2.219 2.190 2.263 . 0 0 "[ . 1 . 2]" 1
1526 1 71 HIS H 1 71 HIS HB3 . . 3.800 3.516 3.498 3.540 . 0 0 "[ . 1 . 2]" 1
1527 1 71 HIS H 1 71 HIS HD2 . . 3.990 3.122 2.696 3.624 . 0 0 "[ . 1 . 2]" 1
1528 1 71 HIS H 1 72 ASN H . . 3.280 2.763 2.598 2.889 . 0 0 "[ . 1 . 2]" 1
1529 1 71 HIS H 1 73 ASN H . . 4.560 4.373 4.129 4.535 . 0 0 "[ . 1 . 2]" 1
1530 1 71 HIS H 1 96 VAL MG1 . . 4.450 4.049 3.567 4.429 . 0 0 "[ . 1 . 2]" 1
1531 1 71 HIS H 1 96 VAL MG2 . . 3.950 3.322 3.076 3.612 . 0 0 "[ . 1 . 2]" 1
1532 1 71 HIS HA 1 74 ALA H . . 4.690 3.601 3.409 3.784 . 0 0 "[ . 1 . 2]" 1
1533 1 71 HIS HA 1 74 ALA MB . . 3.260 2.705 2.541 2.901 . 0 0 "[ . 1 . 2]" 1
1534 1 71 HIS HA 1 75 LYS H . . 4.300 3.931 3.715 4.209 . 0 0 "[ . 1 . 2]" 1
1535 1 71 HIS HA 1 75 LYS QE . . 4.790 4.297 3.587 4.741 . 0 0 "[ . 1 . 2]" 1
1536 1 71 HIS HA 1 92 PRO HB2 . . 5.500 4.631 4.020 5.097 . 0 0 "[ . 1 . 2]" 1
1537 1 71 HIS HA 1 96 VAL MG2 . . 3.170 2.167 1.863 2.432 . 0 0 "[ . 1 . 2]" 1
1538 1 71 HIS HB2 1 72 ASN H . . 4.260 2.711 2.522 2.899 . 0 0 "[ . 1 . 2]" 1
1539 1 71 HIS HB2 1 96 VAL MG2 . . 4.310 3.907 3.627 4.217 . 0 0 "[ . 1 . 2]" 1
1540 1 71 HIS HB3 1 72 ASN H . . 3.390 3.208 3.021 3.378 . 0 0 "[ . 1 . 2]" 1
1541 1 71 HIS HB3 1 74 ALA MB . . 4.860 4.603 4.251 4.801 . 0 0 "[ . 1 . 2]" 1
1542 1 71 HIS HD2 1 96 VAL MG1 . . 4.750 3.181 2.316 4.444 . 0 0 "[ . 1 . 2]" 1
1543 1 71 HIS HD2 1 96 VAL MG2 . . 4.740 3.362 2.624 4.216 . 0 0 "[ . 1 . 2]" 1
1544 1 71 HIS HE1 1 93 GLU HA . . 4.120 2.896 2.270 3.697 . 0 0 "[ . 1 . 2]" 1
1545 1 71 HIS HE1 1 93 GLU QB . . 4.000 3.276 2.318 3.996 . 0 0 "[ . 1 . 2]" 1
1546 1 71 HIS HE1 1 93 GLU HG2 . . 4.560 2.253 1.999 2.594 . 0 0 "[ . 1 . 2]" 1
1547 1 71 HIS HE1 1 93 GLU HG3 . . 4.580 3.912 3.639 4.339 . 0 0 "[ . 1 . 2]" 1
1548 1 71 HIS HE1 1 96 VAL HB . . 4.530 3.759 3.061 4.519 . 0 0 "[ . 1 . 2]" 1
1549 1 71 HIS HE1 1 96 VAL MG1 . . 4.420 3.804 3.435 4.162 . 0 0 "[ . 1 . 2]" 1
1550 1 71 HIS HE1 1 96 VAL MG2 . . 3.940 3.131 2.609 3.732 . 0 0 "[ . 1 . 2]" 1
1551 1 72 ASN H 1 72 ASN HB2 . . 3.080 2.331 2.208 2.500 . 0 0 "[ . 1 . 2]" 1
1552 1 72 ASN H 1 72 ASN HB3 . . 3.620 3.557 3.509 3.589 . 0 0 "[ . 1 . 2]" 1
1553 1 72 ASN H 1 72 ASN HD21 . . 4.600 2.980 1.892 3.872 . 0 0 "[ . 1 . 2]" 1
1554 1 72 ASN H 1 72 ASN QD . . 3.840 2.874 1.879 3.592 . 0 0 "[ . 1 . 2]" 1
1555 1 72 ASN H 1 72 ASN HD22 . . 4.600 3.965 3.230 4.481 . 0 0 "[ . 1 . 2]" 1
1556 1 72 ASN H 1 73 ASN H . . 3.320 2.843 2.726 2.989 . 0 0 "[ . 1 . 2]" 1
1557 1 72 ASN H 1 96 VAL MG2 . . 5.090 4.876 4.680 5.088 . 0 0 "[ . 1 . 2]" 1
1558 1 72 ASN HA 1 72 ASN QD . . 4.400 3.724 3.125 4.059 . 0 0 "[ . 1 . 2]" 1
1559 1 72 ASN HA 1 74 ALA H . . 4.800 4.585 4.025 4.780 . 0 0 "[ . 1 . 2]" 1
1560 1 72 ASN HA 1 75 LYS H . . 3.900 3.822 3.636 3.901 0.001 4 0 "[ . 1 . 2]" 1
1561 1 72 ASN HA 1 75 LYS QB . . 3.940 2.764 2.569 3.120 . 0 0 "[ . 1 . 2]" 1
1562 1 72 ASN HA 1 75 LYS QD . . 4.450 3.987 2.596 4.419 . 0 0 "[ . 1 . 2]" 1
1563 1 72 ASN HA 1 75 LYS QE . . 3.800 2.138 1.967 2.569 . 0 0 "[ . 1 . 2]" 1
1564 1 72 ASN HA 1 76 TYR H . . 4.520 4.252 4.043 4.469 . 0 0 "[ . 1 . 2]" 1
1565 1 72 ASN HB2 1 72 ASN HD21 . . 3.550 2.198 2.114 2.405 . 0 0 "[ . 1 . 2]" 1
1566 1 72 ASN HB2 1 72 ASN QD . . 3.090 2.175 2.095 2.368 . 0 0 "[ . 1 . 2]" 1
1567 1 72 ASN HB2 1 72 ASN HD22 . . 3.550 3.466 3.433 3.549 . 0 0 "[ . 1 . 2]" 1
1568 1 72 ASN HB2 1 73 ASN H . . 3.430 2.557 2.360 2.715 . 0 0 "[ . 1 . 2]" 1
1569 1 72 ASN HB3 1 72 ASN QD . . 3.350 3.074 2.736 3.335 . 0 0 "[ . 1 . 2]" 1
1570 1 72 ASN HB3 1 73 ASN H . . 3.530 3.258 3.003 3.455 . 0 0 "[ . 1 . 2]" 1
1571 1 72 ASN HB3 1 73 ASN HA . . 5.010 4.120 3.961 4.301 . 0 0 "[ . 1 . 2]" 1
1572 1 73 ASN H 1 73 ASN HB2 . . 3.200 2.499 2.413 2.605 . 0 0 "[ . 1 . 2]" 1
1573 1 73 ASN H 1 73 ASN HB3 . . 3.720 3.589 3.581 3.594 . 0 0 "[ . 1 . 2]" 1
1574 1 73 ASN H 1 73 ASN HD21 . . 5.500 4.648 4.562 4.735 . 0 0 "[ . 1 . 2]" 1
1575 1 73 ASN H 1 73 ASN HD22 . . 4.860 4.624 4.462 4.776 . 0 0 "[ . 1 . 2]" 1
1576 1 73 ASN H 1 74 ALA H . . 3.270 2.822 2.623 2.930 . 0 0 "[ . 1 . 2]" 1
1577 1 73 ASN H 1 74 ALA MB . . 4.440 4.368 4.211 4.434 . 0 0 "[ . 1 . 2]" 1
1578 1 73 ASN H 1 75 LYS H . . 5.420 4.574 4.431 4.821 . 0 0 "[ . 1 . 2]" 1
1579 1 73 ASN HB2 1 73 ASN HD22 . . 4.050 3.878 3.781 3.934 . 0 0 "[ . 1 . 2]" 1
1580 1 73 ASN HB2 1 74 ALA H . . 3.700 2.483 2.342 2.934 . 0 0 "[ . 1 . 2]" 1
1581 1 73 ASN HB3 1 73 ASN HD22 . . 4.020 3.444 3.435 3.478 . 0 0 "[ . 1 . 2]" 1
1582 1 73 ASN HB3 1 74 ALA H . . 4.300 3.491 3.304 3.849 . 0 0 "[ . 1 . 2]" 1
1583 1 74 ALA H 1 74 ALA MB . . 3.010 2.071 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
1584 1 74 ALA H 1 75 LYS H . . 3.240 2.898 2.693 3.042 . 0 0 "[ . 1 . 2]" 1
1585 1 74 ALA H 1 75 LYS QB . . 4.630 4.545 4.413 4.627 . 0 0 "[ . 1 . 2]" 1
1586 1 74 ALA H 1 95 LEU MD1 . . 5.500 4.663 4.065 5.001 . 0 0 "[ . 1 . 2]" 1
1587 1 74 ALA H 1 96 VAL MG2 . . 4.390 4.074 3.823 4.391 0.001 10 0 "[ . 1 . 2]" 1
1588 1 74 ALA HA 1 77 ALA H . . 3.900 3.550 3.365 3.664 . 0 0 "[ . 1 . 2]" 1
1589 1 74 ALA HA 1 77 ALA MB . . 3.310 2.698 2.450 2.912 . 0 0 "[ . 1 . 2]" 1
1590 1 74 ALA HA 1 78 VAL H . . 4.670 4.183 3.843 4.408 . 0 0 "[ . 1 . 2]" 1
1591 1 74 ALA HA 1 78 VAL MG2 . . 4.240 3.855 3.537 4.105 . 0 0 "[ . 1 . 2]" 1
1592 1 74 ALA HA 1 95 LEU MD1 . . 3.750 2.690 2.129 3.100 . 0 0 "[ . 1 . 2]" 1
1593 1 74 ALA HA 1 95 LEU MD2 . . 4.980 4.705 4.205 4.975 . 0 0 "[ . 1 . 2]" 1
1594 1 74 ALA HA 1 96 VAL MG2 . . 5.500 4.924 4.575 5.307 . 0 0 "[ . 1 . 2]" 1
1595 1 74 ALA MB 1 75 LYS H . . 3.340 2.348 2.081 2.484 . 0 0 "[ . 1 . 2]" 1
1596 1 74 ALA MB 1 77 ALA H . . 4.750 4.670 4.498 4.751 0.001 15 0 "[ . 1 . 2]" 1
1597 1 74 ALA MB 1 78 VAL MG2 . . 3.890 3.207 2.927 3.473 . 0 0 "[ . 1 . 2]" 1
1598 1 74 ALA MB 1 92 PRO HA . . 3.360 2.980 2.433 3.305 . 0 0 "[ . 1 . 2]" 1
1599 1 74 ALA MB 1 92 PRO HB2 . . 3.840 3.026 2.625 3.461 . 0 0 "[ . 1 . 2]" 1
1600 1 74 ALA MB 1 92 PRO QG . . 5.190 4.517 4.208 4.870 . 0 0 "[ . 1 . 2]" 1
1601 1 74 ALA MB 1 95 LEU H . . 4.550 4.055 3.834 4.329 . 0 0 "[ . 1 . 2]" 1
1602 1 74 ALA MB 1 95 LEU QB . . 3.220 2.121 1.869 2.367 . 0 0 "[ . 1 . 2]" 1
1603 1 74 ALA MB 1 95 LEU MD1 . . 3.100 2.054 1.692 2.349 . 0 0 "[ . 1 . 2]" 1
1604 1 74 ALA MB 1 95 LEU MD2 . . 4.930 3.938 3.571 4.194 . 0 0 "[ . 1 . 2]" 1
1605 1 74 ALA MB 1 96 VAL H . . 4.370 3.458 3.174 3.660 . 0 0 "[ . 1 . 2]" 1
1606 1 74 ALA MB 1 96 VAL HA . . 4.910 4.079 3.848 4.410 . 0 0 "[ . 1 . 2]" 1
1607 1 74 ALA MB 1 96 VAL MG2 . . 3.100 2.515 2.249 2.794 . 0 0 "[ . 1 . 2]" 1
1608 1 75 LYS H 1 75 LYS QB . . 3.010 2.336 2.240 2.615 . 0 0 "[ . 1 . 2]" 1
1609 1 75 LYS H 1 75 LYS QD . . 4.470 4.342 3.731 4.454 . 0 0 "[ . 1 . 2]" 1
1610 1 75 LYS H 1 75 LYS QE . . 4.590 3.607 3.210 3.962 . 0 0 "[ . 1 . 2]" 1
1611 1 75 LYS H 1 75 LYS HG2 . . 4.420 3.614 3.248 3.884 . 0 0 "[ . 1 . 2]" 1
1612 1 75 LYS H 1 75 LYS HG3 . . 3.520 2.555 1.904 2.711 . 0 0 "[ . 1 . 2]" 1
1613 1 75 LYS H 1 76 TYR H . . 3.360 3.047 2.927 3.195 . 0 0 "[ . 1 . 2]" 1
1614 1 75 LYS H 1 76 TYR QB . . 5.100 4.729 4.651 4.806 . 0 0 "[ . 1 . 2]" 1
1615 1 75 LYS H 1 77 ALA H . . 5.500 4.604 4.321 4.783 . 0 0 "[ . 1 . 2]" 1
1616 1 75 LYS H 1 78 VAL H . . 5.390 4.871 4.713 5.049 . 0 0 "[ . 1 . 2]" 1
1617 1 75 LYS H 1 92 PRO HB3 . . 4.690 3.837 3.343 4.211 . 0 0 "[ . 1 . 2]" 1
1618 1 75 LYS H 1 92 PRO QG . . 5.350 4.945 4.568 5.350 . 0 0 "[ . 1 . 2]" 1
1619 1 75 LYS H 1 95 LEU MD1 . . 4.750 4.503 4.191 4.748 . 0 0 "[ . 1 . 2]" 1
1620 1 75 LYS HA 1 75 LYS QD . . 4.310 3.925 3.779 4.072 . 0 0 "[ . 1 . 2]" 1
1621 1 75 LYS HA 1 75 LYS HG2 . . 3.700 2.384 2.246 2.686 . 0 0 "[ . 1 . 2]" 1
1622 1 75 LYS HA 1 75 LYS HG3 . . 4.060 2.901 2.643 3.121 . 0 0 "[ . 1 . 2]" 1
1623 1 75 LYS HA 1 77 ALA H . . 5.450 4.788 4.475 5.023 . 0 0 "[ . 1 . 2]" 1
1624 1 75 LYS HA 1 78 VAL H . . 4.200 3.679 3.425 4.007 . 0 0 "[ . 1 . 2]" 1
1625 1 75 LYS HA 1 78 VAL MG2 . . 3.510 2.787 2.374 3.167 . 0 0 "[ . 1 . 2]" 1
1626 1 75 LYS HA 1 92 PRO HB3 . . 3.730 2.261 2.074 2.499 . 0 0 "[ . 1 . 2]" 1
1627 1 75 LYS HA 1 92 PRO QG . . 4.110 3.675 3.316 4.045 . 0 0 "[ . 1 . 2]" 1
1628 1 75 LYS QB 1 75 LYS QD . . 3.190 2.187 2.069 2.248 . 0 0 "[ . 1 . 2]" 1
1629 1 75 LYS QB 1 75 LYS QE . . 3.440 2.318 1.996 3.389 . 0 0 "[ . 1 . 2]" 1
1630 1 75 LYS QB 1 76 TYR H . . 3.310 2.449 2.054 2.620 . 0 0 "[ . 1 . 2]" 1
1631 1 75 LYS QB 1 77 ALA H . . 5.420 4.802 4.514 5.002 . 0 0 "[ . 1 . 2]" 1
1632 1 75 LYS QD 1 92 PRO HB2 . . 4.560 4.247 3.841 4.542 . 0 0 "[ . 1 . 2]" 1
1633 1 75 LYS QE 1 75 LYS HG2 . . 3.690 3.284 3.011 3.444 . 0 0 "[ . 1 . 2]" 1
1634 1 75 LYS QE 1 75 LYS HG3 . . 2.920 2.247 2.087 2.458 . 0 0 "[ . 1 . 2]" 1
1635 1 75 LYS QE 1 76 TYR H . . 5.180 4.571 4.200 5.181 0.001 20 0 "[ . 1 . 2]" 1
1636 1 75 LYS HG2 1 92 PRO HD3 . . 5.380 4.734 4.153 5.138 . 0 0 "[ . 1 . 2]" 1
1637 1 75 LYS HG2 1 92 PRO QG . . 3.910 2.691 2.271 2.979 . 0 0 "[ . 1 . 2]" 1
1638 1 75 LYS HG3 1 92 PRO QG . . 4.650 3.504 3.009 3.971 . 0 0 "[ . 1 . 2]" 1
1639 1 76 TYR H 1 76 TYR HB2 . . 3.220 2.305 2.254 2.324 . 0 0 "[ . 1 . 2]" 1
1640 1 76 TYR H 1 76 TYR HB3 . . 3.220 2.786 2.762 2.901 . 0 0 "[ . 1 . 2]" 1
1641 1 76 TYR H 1 76 TYR QD . . 4.070 4.056 3.964 4.071 0.001 17 0 "[ . 1 . 2]" 1
1642 1 76 TYR H 1 77 ALA H . . 3.320 2.911 2.792 3.018 . 0 0 "[ . 1 . 2]" 1
1643 1 76 TYR H 1 77 ALA MB . . 4.560 4.422 4.291 4.516 . 0 0 "[ . 1 . 2]" 1
1644 1 76 TYR H 1 78 VAL H . . 4.760 4.264 3.848 4.541 . 0 0 "[ . 1 . 2]" 1
1645 1 76 TYR H 1 78 VAL MG2 . . 5.290 4.852 4.529 5.181 . 0 0 "[ . 1 . 2]" 1
1646 1 76 TYR HA 1 76 TYR QD . . 3.290 2.345 2.125 2.715 . 0 0 "[ . 1 . 2]" 1
1647 1 76 TYR HA 1 76 TYR QE . . 4.640 4.358 4.248 4.473 . 0 0 "[ . 1 . 2]" 1
1648 1 76 TYR HA 1 78 VAL H . . 5.130 4.464 3.792 4.915 . 0 0 "[ . 1 . 2]" 1
1649 1 76 TYR HA 1 79 SER H . . 4.350 3.656 3.367 3.955 . 0 0 "[ . 1 . 2]" 1
1650 1 76 TYR HA 1 79 SER QB . . 4.010 3.146 2.824 3.884 . 0 0 "[ . 1 . 2]" 1
1651 1 76 TYR HA 1 80 MET H . . 4.810 4.221 3.907 4.758 . 0 0 "[ . 1 . 2]" 1
1652 1 76 TYR QB 1 77 ALA H . . 3.250 2.242 2.113 2.476 . 0 0 "[ . 1 . 2]" 1
1653 1 76 TYR QB 1 77 ALA MB . . 4.540 3.685 3.552 3.769 . 0 0 "[ . 1 . 2]" 1
1654 1 76 TYR HB2 1 77 ALA H . . 3.770 3.558 3.454 3.712 . 0 0 "[ . 1 . 2]" 1
1655 1 76 TYR HB3 1 77 ALA H . . 3.770 2.267 2.130 2.514 . 0 0 "[ . 1 . 2]" 1
1656 1 76 TYR QD 1 77 ALA H . . 4.120 3.765 3.498 4.096 . 0 0 "[ . 1 . 2]" 1
1657 1 76 TYR QD 1 77 ALA HA . . 4.720 3.983 3.514 4.382 . 0 0 "[ . 1 . 2]" 1
1658 1 76 TYR QD 1 79 SER QB . . 4.640 4.201 3.877 4.629 . 0 0 "[ . 1 . 2]" 1
1659 1 76 TYR QD 1 80 MET HG2 . . 4.740 3.713 3.237 3.936 . 0 0 "[ . 1 . 2]" 1
1660 1 76 TYR QD 1 80 MET HG3 . . 4.740 3.735 3.070 4.247 . 0 0 "[ . 1 . 2]" 1
1661 1 76 TYR QE 1 80 MET ME . . 4.830 4.115 3.546 4.496 . 0 0 "[ . 1 . 2]" 1
1662 1 76 TYR QE 1 80 MET HG2 . . 4.400 3.964 3.640 4.265 . 0 0 "[ . 1 . 2]" 1
1663 1 76 TYR QE 1 80 MET QG . . 3.770 3.237 2.789 3.537 . 0 0 "[ . 1 . 2]" 1
1664 1 76 TYR QE 1 80 MET HG3 . . 4.400 3.440 2.897 3.813 . 0 0 "[ . 1 . 2]" 1
1665 1 77 ALA H 1 77 ALA MB . . 3.010 2.091 2.028 2.236 . 0 0 "[ . 1 . 2]" 1
1666 1 77 ALA H 1 78 VAL H . . 3.630 2.859 2.660 3.063 . 0 0 "[ . 1 . 2]" 1
1667 1 77 ALA H 1 78 VAL HB . . 5.500 5.060 4.830 5.206 . 0 0 "[ . 1 . 2]" 1
1668 1 77 ALA H 1 78 VAL MG2 . . 4.360 4.209 4.097 4.347 . 0 0 "[ . 1 . 2]" 1
1669 1 77 ALA HA 1 80 MET H . . 4.370 3.623 3.264 4.020 . 0 0 "[ . 1 . 2]" 1
1670 1 77 ALA HA 1 80 MET QB . . 4.090 2.726 2.392 3.045 . 0 0 "[ . 1 . 2]" 1
1671 1 77 ALA MB 1 78 VAL H . . 3.340 2.581 2.229 2.971 . 0 0 "[ . 1 . 2]" 1
1672 1 77 ALA MB 1 78 VAL MG2 . . 3.510 3.172 2.903 3.352 . 0 0 "[ . 1 . 2]" 1
1673 1 77 ALA MB 1 95 LEU MD1 . . 3.700 2.895 2.525 3.225 . 0 0 "[ . 1 . 2]" 1
1674 1 78 VAL H 1 78 VAL HB . . 3.200 2.573 2.436 2.671 . 0 0 "[ . 1 . 2]" 1
1675 1 78 VAL H 1 78 VAL MG1 . . 3.920 3.764 3.748 3.778 . 0 0 "[ . 1 . 2]" 1
1676 1 78 VAL H 1 78 VAL MG2 . . 2.940 2.025 1.880 2.420 . 0 0 "[ . 1 . 2]" 1
1677 1 78 VAL H 1 79 SER H . . 3.420 2.848 2.520 3.118 . 0 0 "[ . 1 . 2]" 1
1678 1 78 VAL H 1 79 SER QB . . 5.360 4.701 4.240 5.048 . 0 0 "[ . 1 . 2]" 1
1679 1 78 VAL H 1 81 ALA H . . 5.500 4.825 4.645 5.069 . 0 0 "[ . 1 . 2]" 1
1680 1 78 VAL H 1 92 PRO HA . . 5.500 5.168 4.937 5.443 . 0 0 "[ . 1 . 2]" 1
1681 1 78 VAL H 1 95 LEU MD1 . . 4.620 3.692 3.331 4.358 . 0 0 "[ . 1 . 2]" 1
1682 1 78 VAL HA 1 78 VAL MG1 . . 3.260 2.388 2.278 2.476 . 0 0 "[ . 1 . 2]" 1
1683 1 78 VAL HA 1 78 VAL MG2 . . 3.200 2.397 2.271 2.460 . 0 0 "[ . 1 . 2]" 1
1684 1 78 VAL HA 1 81 ALA H . . 4.130 3.813 3.367 4.128 . 0 0 "[ . 1 . 2]" 1
1685 1 78 VAL HA 1 81 ALA MB . . 3.630 2.808 2.401 3.231 . 0 0 "[ . 1 . 2]" 1
1686 1 78 VAL HB 1 79 SER H . . 3.650 2.385 1.942 2.603 . 0 0 "[ . 1 . 2]" 1
1687 1 78 VAL MG1 1 79 SER H . . 3.520 3.240 2.830 3.515 . 0 0 "[ . 1 . 2]" 1
1688 1 78 VAL MG1 1 79 SER HA . . 4.240 3.354 3.079 3.617 . 0 0 "[ . 1 . 2]" 1
1689 1 78 VAL MG1 1 80 MET H . . 5.150 4.969 4.599 5.148 . 0 0 "[ . 1 . 2]" 1
1690 1 78 VAL MG1 1 81 ALA H . . 5.500 5.001 4.392 5.360 . 0 0 "[ . 1 . 2]" 1
1691 1 78 VAL MG1 1 82 ARG H . . 4.960 4.126 3.547 4.679 . 0 0 "[ . 1 . 2]" 1
1692 1 78 VAL MG1 1 82 ARG QD . . 3.790 3.130 2.197 3.739 . 0 0 "[ . 1 . 2]" 1
1693 1 78 VAL MG1 1 82 ARG QG . . 4.670 3.647 2.794 4.626 . 0 0 "[ . 1 . 2]" 1
1694 1 78 VAL MG2 1 79 SER H . . 3.800 3.748 3.576 3.800 . 0 0 "[ . 1 . 2]" 1
1695 1 78 VAL MG2 1 92 PRO HA . . 3.460 2.205 1.981 2.572 . 0 0 "[ . 1 . 2]" 1
1696 1 78 VAL MG2 1 92 PRO HB3 . . 3.310 2.239 2.012 2.563 . 0 0 "[ . 1 . 2]" 1
1697 1 78 VAL MG2 1 92 PRO HD2 . . 4.730 4.603 4.213 4.730 . 0 0 "[ . 1 . 2]" 1
1698 1 78 VAL MG2 1 92 PRO HD3 . . 4.120 3.430 2.982 3.630 . 0 0 "[ . 1 . 2]" 1
1699 1 78 VAL MG2 1 92 PRO HG2 . . 4.720 4.635 4.341 4.718 . 0 0 "[ . 1 . 2]" 1
1700 1 78 VAL MG2 1 92 PRO QG . . 3.880 3.779 3.506 3.874 . 0 0 "[ . 1 . 2]" 1
1701 1 78 VAL MG2 1 92 PRO HG3 . . 4.720 4.005 3.702 4.133 . 0 0 "[ . 1 . 2]" 1
1702 1 79 SER H 1 79 SER QB . . 3.190 2.330 2.145 2.688 . 0 0 "[ . 1 . 2]" 1
1703 1 79 SER H 1 80 MET H . . 3.560 2.770 2.501 3.061 . 0 0 "[ . 1 . 2]" 1
1704 1 79 SER HA 1 82 ARG QD . . 4.380 2.578 2.002 3.725 . 0 0 "[ . 1 . 2]" 1
1705 1 79 SER HA 1 82 ARG QG . . 3.860 2.483 1.977 3.858 . 0 0 "[ . 1 . 2]" 1
1706 1 79 SER QB 1 80 MET H . . 3.710 2.689 2.295 3.367 . 0 0 "[ . 1 . 2]" 1
1707 1 79 SER QB 1 80 MET QG . . 5.200 3.538 3.242 4.328 . 0 0 "[ . 1 . 2]" 1
1708 1 80 MET H 1 80 MET ME . . 5.150 4.370 3.850 4.848 . 0 0 "[ . 1 . 2]" 1
1709 1 80 MET H 1 80 MET QG . . 3.290 2.268 2.119 2.703 . 0 0 "[ . 1 . 2]" 1
1710 1 80 MET H 1 81 ALA MB . . 4.400 4.294 3.930 4.400 . 0 0 "[ . 1 . 2]" 1
1711 1 80 MET HA 1 80 MET ME . . 3.500 2.564 1.797 3.209 . 0 0 "[ . 1 . 2]" 1
1712 1 80 MET HA 1 83 ARG H . . 4.060 3.414 3.060 3.870 . 0 0 "[ . 1 . 2]" 1
1713 1 80 MET HA 1 83 ARG QB . . 3.480 2.275 1.909 3.404 . 0 0 "[ . 1 . 2]" 1
1714 1 80 MET HA 1 83 ARG QD . . 3.900 2.776 1.999 3.896 . 0 0 "[ . 1 . 2]" 1
1715 1 80 MET QB 1 81 ALA H . . 3.640 2.287 2.078 2.946 . 0 0 "[ . 1 . 2]" 1
1716 1 80 MET QB 1 83 ARG H . . 5.340 4.703 4.390 5.248 . 0 0 "[ . 1 . 2]" 1
1717 1 80 MET HB2 1 81 ALA H . . 4.170 2.329 2.108 3.036 . 0 0 "[ . 1 . 2]" 1
1718 1 80 MET HB3 1 81 ALA H . . 4.170 3.351 3.091 3.979 . 0 0 "[ . 1 . 2]" 1
1719 1 80 MET ME 1 83 ARG QD . . 3.290 2.492 1.868 3.247 . 0 0 "[ . 1 . 2]" 1
1720 1 80 MET ME 1 84 ILE MD . . 4.910 4.798 4.435 4.901 . 0 0 "[ . 1 . 2]" 1
1721 1 80 MET ME 1 84 ILE MG . . 3.610 3.081 2.811 3.394 . 0 0 "[ . 1 . 2]" 1
1722 1 81 ALA H 1 81 ALA MB . . 3.150 2.134 2.024 2.231 . 0 0 "[ . 1 . 2]" 1
1723 1 81 ALA H 1 82 ARG H . . 3.790 3.010 2.458 3.264 . 0 0 "[ . 1 . 2]" 1
1724 1 81 ALA H 1 82 ARG QB . . 5.500 5.169 4.455 5.500 0.000 8 0 "[ . 1 . 2]" 1
1725 1 81 ALA H 1 84 ILE MD . . 5.500 4.627 4.206 5.074 . 0 0 "[ . 1 . 2]" 1
1726 1 81 ALA HA 1 84 ILE H . . 4.370 3.928 3.530 4.304 . 0 0 "[ . 1 . 2]" 1
1727 1 81 ALA HA 1 84 ILE MD . . 4.090 2.506 2.027 2.935 . 0 0 "[ . 1 . 2]" 1
1728 1 81 ALA HA 1 84 ILE HG12 . . 4.280 2.434 2.023 2.810 . 0 0 "[ . 1 . 2]" 1
1729 1 81 ALA HA 1 84 ILE QG . . 3.520 2.387 1.988 2.747 . 0 0 "[ . 1 . 2]" 1
1730 1 81 ALA HA 1 84 ILE HG13 . . 4.280 3.497 2.911 3.872 . 0 0 "[ . 1 . 2]" 1
1731 1 81 ALA HA 1 84 ILE MG . . 4.510 3.847 3.111 4.370 . 0 0 "[ . 1 . 2]" 1
1732 1 81 ALA HA 1 86 ALA MB . . 4.240 3.352 2.772 3.671 . 0 0 "[ . 1 . 2]" 1
1733 1 81 ALA HA 1 110 LEU MD2 . . 3.910 2.887 2.441 3.565 . 0 0 "[ . 1 . 2]" 1
1734 1 81 ALA MB 1 82 ARG H . . 3.850 2.414 2.140 2.952 . 0 0 "[ . 1 . 2]" 1
1735 1 81 ALA MB 1 86 ALA H . . 5.220 4.870 4.461 5.176 . 0 0 "[ . 1 . 2]" 1
1736 1 81 ALA MB 1 86 ALA MB . . 3.380 2.545 2.085 3.049 . 0 0 "[ . 1 . 2]" 1
1737 1 81 ALA MB 1 88 VAL MG1 . . 3.350 2.728 2.070 3.325 . 0 0 "[ . 1 . 2]" 1
1738 1 81 ALA MB 1 110 LEU MD2 . . 3.230 2.084 1.780 2.657 . 0 0 "[ . 1 . 2]" 1
1739 1 82 ARG H 1 82 ARG QB . . 3.480 2.491 2.145 2.721 . 0 0 "[ . 1 . 2]" 1
1740 1 82 ARG H 1 82 ARG QD . . 4.440 3.848 3.297 4.441 0.001 16 0 "[ . 1 . 2]" 1
1741 1 82 ARG H 1 82 ARG HG2 . . 4.560 2.350 1.913 4.328 . 0 0 "[ . 1 . 2]" 1
1742 1 82 ARG H 1 82 ARG QG . . 3.980 2.285 1.885 3.916 . 0 0 "[ . 1 . 2]" 1
1743 1 82 ARG H 1 82 ARG HG3 . . 4.560 3.359 2.589 4.551 . 0 0 "[ . 1 . 2]" 1
1744 1 82 ARG H 1 83 ARG H . . 3.690 2.588 2.394 2.752 . 0 0 "[ . 1 . 2]" 1
1745 1 82 ARG H 1 88 VAL MG1 . . 5.500 4.311 3.518 5.501 0.001 19 0 "[ . 1 . 2]" 1
1746 1 82 ARG HA 1 82 ARG QG . . 3.580 3.271 2.537 3.344 . 0 0 "[ . 1 . 2]" 1
1747 1 82 ARG QB 1 82 ARG QD . . 3.080 2.197 2.062 2.306 . 0 0 "[ . 1 . 2]" 1
1748 1 82 ARG QB 1 83 ARG H . . 4.480 3.384 2.646 3.725 . 0 0 "[ . 1 . 2]" 1
1749 1 82 ARG QD 1 83 ARG H . . 4.790 4.221 3.817 4.785 . 0 0 "[ . 1 . 2]" 1
1750 1 82 ARG QG 1 83 ARG H . . 3.660 2.265 1.863 3.360 . 0 0 "[ . 1 . 2]" 1
1751 1 82 ARG QG 1 83 ARG HA . . 4.700 3.228 3.012 3.646 . 0 0 "[ . 1 . 2]" 1
1752 1 82 ARG HG2 1 83 ARG H . . 4.390 2.725 1.935 3.513 . 0 0 "[ . 1 . 2]" 1
1753 1 82 ARG HG3 1 83 ARG H . . 4.390 2.551 1.955 4.392 0.002 4 0 "[ . 1 . 2]" 1
1754 1 83 ARG H 1 83 ARG HB2 . . 3.690 2.512 2.187 3.536 . 0 0 "[ . 1 . 2]" 1
1755 1 83 ARG H 1 83 ARG QB . . 3.220 2.219 2.165 2.278 . 0 0 "[ . 1 . 2]" 1
1756 1 83 ARG H 1 83 ARG HB3 . . 3.690 2.795 2.200 3.561 . 0 0 "[ . 1 . 2]" 1
1757 1 83 ARG H 1 83 ARG QD . . 5.230 4.200 3.604 4.621 . 0 0 "[ . 1 . 2]" 1
1758 1 83 ARG H 1 83 ARG QG . . 4.140 3.533 2.625 4.020 . 0 0 "[ . 1 . 2]" 1
1759 1 83 ARG H 1 84 ILE H . . 3.820 2.789 2.491 3.111 . 0 0 "[ . 1 . 2]" 1
1760 1 83 ARG H 1 84 ILE QG . . 5.340 3.898 3.641 4.208 . 0 0 "[ . 1 . 2]" 1
1761 1 83 ARG HA 1 83 ARG QD . . 4.690 4.040 3.509 4.449 . 0 0 "[ . 1 . 2]" 1
1762 1 83 ARG HA 1 83 ARG HG2 . . 3.900 2.890 2.169 3.798 . 0 0 "[ . 1 . 2]" 1
1763 1 83 ARG HA 1 83 ARG HG3 . . 3.900 2.832 2.447 3.662 . 0 0 "[ . 1 . 2]" 1
1764 1 83 ARG HA 1 85 GLY H . . 4.610 3.906 3.551 4.338 . 0 0 "[ . 1 . 2]" 1
1765 1 83 ARG QB 1 83 ARG QD . . 3.160 2.109 2.008 2.197 . 0 0 "[ . 1 . 2]" 1
1766 1 83 ARG QB 1 84 ILE H . . 3.690 2.575 1.904 3.429 . 0 0 "[ . 1 . 2]" 1
1767 1 83 ARG QB 1 84 ILE MG . . 3.790 3.200 2.860 3.791 0.001 19 0 "[ . 1 . 2]" 1
1768 1 83 ARG QB 1 85 GLY H . . 4.850 4.410 4.163 4.799 . 0 0 "[ . 1 . 2]" 1
1769 1 83 ARG QD 1 84 ILE MG . . 4.610 3.779 2.415 4.600 . 0 0 "[ . 1 . 2]" 1
1770 1 83 ARG QG 1 84 ILE H . . 4.570 3.653 1.848 4.452 . 0 0 "[ . 1 . 2]" 1
1771 1 84 ILE H 1 84 ILE MD . . 4.230 3.712 3.606 3.818 . 0 0 "[ . 1 . 2]" 1
1772 1 84 ILE H 1 84 ILE HG12 . . 3.710 2.086 1.903 2.309 . 0 0 "[ . 1 . 2]" 1
1773 1 84 ILE H 1 84 ILE HG13 . . 3.710 2.929 2.581 3.348 . 0 0 "[ . 1 . 2]" 1
1774 1 84 ILE H 1 84 ILE MG . . 3.450 2.375 2.052 2.666 . 0 0 "[ . 1 . 2]" 1
1775 1 84 ILE H 1 85 GLY H . . 3.500 2.577 2.317 2.878 . 0 0 "[ . 1 . 2]" 1
1776 1 84 ILE H 1 86 ALA H . . 5.080 4.698 3.718 5.080 0.000 20 0 "[ . 1 . 2]" 1
1777 1 84 ILE H 1 86 ALA MB . . 5.120 4.635 4.111 4.942 . 0 0 "[ . 1 . 2]" 1
1778 1 84 ILE HA 1 84 ILE MD . . 4.280 4.161 4.136 4.182 . 0 0 "[ . 1 . 2]" 1
1779 1 84 ILE HA 1 84 ILE MG . . 3.230 2.316 2.191 2.499 . 0 0 "[ . 1 . 2]" 1
1780 1 84 ILE HB 1 84 ILE MD . . 3.310 2.300 2.215 2.424 . 0 0 "[ . 1 . 2]" 1
1781 1 84 ILE HB 1 85 GLY H . . 4.900 4.062 3.766 4.337 . 0 0 "[ . 1 . 2]" 1
1782 1 84 ILE MD 1 85 GLY H . . 4.830 4.240 3.778 4.807 . 0 0 "[ . 1 . 2]" 1
1783 1 84 ILE QG 1 86 ALA H . . 4.490 3.508 1.890 4.216 . 0 0 "[ . 1 . 2]" 1
1784 1 84 ILE QG 1 86 ALA MB . . 3.630 2.927 2.042 3.229 . 0 0 "[ . 1 . 2]" 1
1785 1 84 ILE QG 1 110 LEU MD2 . . 4.760 3.704 3.388 4.249 . 0 0 "[ . 1 . 2]" 1
1786 1 84 ILE HG12 1 84 ILE MG . . 3.590 2.290 2.127 2.370 . 0 0 "[ . 1 . 2]" 1
1787 1 84 ILE HG12 1 85 GLY H . . 4.490 3.320 2.868 3.884 . 0 0 "[ . 1 . 2]" 1
1788 1 84 ILE HG12 1 86 ALA H . . 5.330 4.689 3.397 5.277 . 0 0 "[ . 1 . 2]" 1
1789 1 84 ILE HG12 1 110 LEU MD2 . . 5.500 4.182 3.879 4.900 . 0 0 "[ . 1 . 2]" 1
1790 1 84 ILE HG13 1 84 ILE MG . . 3.590 3.185 3.166 3.197 . 0 0 "[ . 1 . 2]" 1
1791 1 84 ILE HG13 1 85 GLY H . . 4.490 2.660 2.059 3.386 . 0 0 "[ . 1 . 2]" 1
1792 1 84 ILE HG13 1 86 ALA H . . 5.330 3.650 1.899 4.443 . 0 0 "[ . 1 . 2]" 1
1793 1 84 ILE HG13 1 110 LEU MD2 . . 5.500 4.141 3.736 4.660 . 0 0 "[ . 1 . 2]" 1
1794 1 84 ILE MG 1 85 GLY H . . 4.590 4.108 3.904 4.269 . 0 0 "[ . 1 . 2]" 1
1795 1 85 GLY H 1 86 ALA H . . 3.360 2.715 2.172 3.184 . 0 0 "[ . 1 . 2]" 1
1796 1 85 GLY H 1 86 ALA MB . . 4.540 3.770 3.416 4.242 . 0 0 "[ . 1 . 2]" 1
1797 1 86 ALA H 1 86 ALA MB . . 3.470 2.478 2.065 2.745 . 0 0 "[ . 1 . 2]" 1
1798 1 86 ALA H 1 87 ARG H . . 4.630 3.929 1.854 4.395 . 0 0 "[ . 1 . 2]" 1
1799 1 86 ALA MB 1 87 ARG H . . 4.140 3.313 2.789 3.632 . 0 0 "[ . 1 . 2]" 1
1800 1 86 ALA MB 1 88 VAL MG1 . . 3.470 2.281 1.922 2.965 . 0 0 "[ . 1 . 2]" 1
1801 1 86 ALA MB 1 109 CYS HB2 . . 4.750 3.977 2.503 4.704 . 0 0 "[ . 1 . 2]" 1
1802 1 86 ALA MB 1 109 CYS QB . . 4.120 3.161 2.480 3.758 . 0 0 "[ . 1 . 2]" 1
1803 1 86 ALA MB 1 109 CYS HB3 . . 4.750 3.655 2.794 4.748 . 0 0 "[ . 1 . 2]" 1
1804 1 86 ALA MB 1 110 LEU HA . . 3.950 3.194 1.926 3.906 . 0 0 "[ . 1 . 2]" 1
1805 1 86 ALA MB 1 110 LEU MD1 . . 4.600 4.453 3.959 4.600 0.000 17 0 "[ . 1 . 2]" 1
1806 1 86 ALA MB 1 110 LEU MD2 . . 3.180 2.435 1.937 2.893 . 0 0 "[ . 1 . 2]" 1
1807 1 87 ARG H 1 87 ARG QB . . 3.670 2.388 2.133 2.940 . 0 0 "[ . 1 . 2]" 1
1808 1 87 ARG H 1 87 ARG QG . . 4.700 3.780 1.923 4.297 . 0 0 "[ . 1 . 2]" 1
1809 1 87 ARG HA 1 88 VAL H . . 3.540 2.750 2.181 3.539 . 0 0 "[ . 1 . 2]" 1
1810 1 87 ARG QB 1 87 ARG QD . . 3.260 2.237 2.034 2.506 . 0 0 "[ . 1 . 2]" 1
1811 1 87 ARG QG 1 89 TYR QD . . 4.420 3.375 2.084 4.139 . 0 0 "[ . 1 . 2]" 1
1812 1 87 ARG QG 1 89 TYR QE . . 4.010 3.363 2.148 4.006 . 0 0 "[ . 1 . 2]" 1
1813 1 87 ARG HG2 1 89 TYR QD . . 5.020 4.174 2.923 4.904 . 0 0 "[ . 1 . 2]" 1
1814 1 87 ARG HG2 1 89 TYR QE . . 4.660 3.895 2.172 4.655 . 0 0 "[ . 1 . 2]" 1
1815 1 87 ARG HG3 1 89 TYR QD . . 5.020 3.759 2.094 4.934 . 0 0 "[ . 1 . 2]" 1
1816 1 87 ARG HG3 1 89 TYR QE . . 4.660 3.948 2.318 4.637 . 0 0 "[ . 1 . 2]" 1
1817 1 88 VAL H 1 88 VAL HB . . 4.020 3.101 2.407 3.819 . 0 0 "[ . 1 . 2]" 1
1818 1 88 VAL H 1 88 VAL MG1 . . 3.620 2.224 1.895 2.847 . 0 0 "[ . 1 . 2]" 1
1819 1 88 VAL HA 1 88 VAL MG1 . . 3.570 3.017 2.287 3.199 . 0 0 "[ . 1 . 2]" 1
1820 1 88 VAL HA 1 89 TYR QD . . 4.450 3.843 3.172 4.433 . 0 0 "[ . 1 . 2]" 1
1821 1 88 VAL HA 1 90 ALA H . . 4.670 3.937 3.382 4.658 . 0 0 "[ . 1 . 2]" 1
1822 1 88 VAL HA 1 106 VAL MG2 . . 5.500 5.281 4.601 5.501 0.001 11 0 "[ . 1 . 2]" 1
1823 1 88 VAL HB 1 90 ALA H . . 4.730 4.268 2.832 4.734 0.004 8 0 "[ . 1 . 2]" 1
1824 1 88 VAL HB 1 106 VAL HA . . 5.480 3.518 2.570 4.041 . 0 0 "[ . 1 . 2]" 1
1825 1 88 VAL MG1 1 90 ALA H . . 4.370 3.480 1.863 4.369 . 0 0 "[ . 1 . 2]" 1
1826 1 88 VAL MG1 1 106 VAL HA . . 4.270 3.434 2.018 4.252 . 0 0 "[ . 1 . 2]" 1
1827 1 88 VAL MG1 1 106 VAL MG1 . . 4.080 3.434 2.700 3.971 . 0 0 "[ . 1 . 2]" 1
1828 1 88 VAL MG1 1 109 CYS HB2 . . 4.380 3.359 1.802 4.249 . 0 0 "[ . 1 . 2]" 1
1829 1 88 VAL MG1 1 109 CYS HB3 . . 4.380 3.220 1.971 4.380 0.000 3 0 "[ . 1 . 2]" 1
1830 1 88 VAL MG1 1 110 LEU H . . 5.320 4.458 3.120 5.274 . 0 0 "[ . 1 . 2]" 1
1831 1 88 VAL MG2 1 89 TYR H . . 4.450 3.039 1.937 4.146 . 0 0 "[ . 1 . 2]" 1
1832 1 88 VAL MG2 1 90 ALA H . . 3.870 2.216 1.859 3.347 . 0 0 "[ . 1 . 2]" 1
1833 1 88 VAL MG2 1 90 ALA MB . . 3.120 2.268 1.819 3.120 . 0 0 "[ . 1 . 2]" 1
1834 1 88 VAL MG2 1 106 VAL MG1 . . 3.770 3.107 2.475 3.737 . 0 0 "[ . 1 . 2]" 1
1835 1 88 VAL MG2 1 109 CYS HB2 . . 4.500 3.765 2.869 4.499 . 0 0 "[ . 1 . 2]" 1
1836 1 88 VAL MG2 1 109 CYS QB . . 3.930 3.315 2.552 3.934 0.004 18 0 "[ . 1 . 2]" 1
1837 1 88 VAL MG2 1 109 CYS HB3 . . 4.500 3.803 2.614 4.474 . 0 0 "[ . 1 . 2]" 1
1838 1 89 TYR H 1 89 TYR QD . . 4.350 2.696 2.271 3.015 . 0 0 "[ . 1 . 2]" 1
1839 1 89 TYR H 1 90 ALA H . . 3.860 2.997 2.553 3.384 . 0 0 "[ . 1 . 2]" 1
1840 1 89 TYR HA 1 89 TYR QD . . 4.010 3.689 3.608 3.722 . 0 0 "[ . 1 . 2]" 1
1841 1 89 TYR QD 1 102 MET ME . . 4.210 3.706 2.828 3.978 . 0 0 "[ . 1 . 2]" 1
1842 1 89 TYR QE 1 102 MET ME . . 4.280 4.129 3.692 4.281 0.001 13 0 "[ . 1 . 2]" 1
1843 1 90 ALA H 1 90 ALA MB . . 3.400 2.208 2.033 2.350 . 0 0 "[ . 1 . 2]" 1
1844 1 90 ALA H 1 102 MET ME . . 4.730 4.130 3.813 4.428 . 0 0 "[ . 1 . 2]" 1
1845 1 90 ALA H 1 106 VAL MG2 . . 4.830 4.019 3.682 4.414 . 0 0 "[ . 1 . 2]" 1
1846 1 90 ALA HA 1 91 LEU H . . 3.280 2.214 2.142 2.419 . 0 0 "[ . 1 . 2]" 1
1847 1 90 ALA HA 1 91 LEU HG . . 4.450 3.726 3.515 3.934 . 0 0 "[ . 1 . 2]" 1
1848 1 90 ALA HA 1 102 MET ME . . 3.110 2.001 1.805 2.278 . 0 0 "[ . 1 . 2]" 1
1849 1 90 ALA HA 1 106 VAL MG2 . . 4.680 4.183 3.771 4.476 . 0 0 "[ . 1 . 2]" 1
1850 1 90 ALA MB 1 91 LEU H . . 3.500 2.972 2.335 3.418 . 0 0 "[ . 1 . 2]" 1
1851 1 90 ALA MB 1 91 LEU HA . . 5.110 4.451 4.173 4.713 . 0 0 "[ . 1 . 2]" 1
1852 1 90 ALA MB 1 94 ASP QB . . 3.540 3.399 3.192 3.527 . 0 0 "[ . 1 . 2]" 1
1853 1 90 ALA MB 1 95 LEU H . . 5.310 4.995 4.680 5.216 . 0 0 "[ . 1 . 2]" 1
1854 1 90 ALA MB 1 95 LEU HG . . 4.650 4.174 3.378 4.601 . 0 0 "[ . 1 . 2]" 1
1855 1 90 ALA MB 1 102 MET HA . . 5.500 4.500 4.173 4.861 . 0 0 "[ . 1 . 2]" 1
1856 1 90 ALA MB 1 102 MET QB . . 3.670 2.915 2.440 3.658 . 0 0 "[ . 1 . 2]" 1
1857 1 90 ALA MB 1 102 MET ME . . 3.250 2.266 1.911 2.720 . 0 0 "[ . 1 . 2]" 1
1858 1 90 ALA MB 1 102 MET QG . . 4.450 3.954 1.913 4.444 . 0 0 "[ . 1 . 2]" 1
1859 1 90 ALA MB 1 106 VAL H . . 4.530 4.311 4.142 4.531 0.001 14 0 "[ . 1 . 2]" 1
1860 1 90 ALA MB 1 106 VAL MG1 . . 4.250 3.328 2.932 3.655 . 0 0 "[ . 1 . 2]" 1
1861 1 90 ALA MB 1 106 VAL MG2 . . 2.930 1.924 1.664 2.122 . 0 0 "[ . 1 . 2]" 1
1862 1 91 LEU H 1 91 LEU QB . . 3.550 2.582 2.355 2.750 . 0 0 "[ . 1 . 2]" 1
1863 1 91 LEU H 1 91 LEU MD1 . . 4.240 3.603 3.358 3.818 . 0 0 "[ . 1 . 2]" 1
1864 1 91 LEU H 1 91 LEU MD2 . . 4.170 3.073 2.511 3.621 . 0 0 "[ . 1 . 2]" 1
1865 1 91 LEU H 1 91 LEU HG . . 3.790 2.116 1.906 2.566 . 0 0 "[ . 1 . 2]" 1
1866 1 91 LEU H 1 94 ASP QB . . 4.250 3.870 3.297 4.217 . 0 0 "[ . 1 . 2]" 1
1867 1 91 LEU H 1 102 MET ME . . 3.990 2.613 1.874 3.051 . 0 0 "[ . 1 . 2]" 1
1868 1 91 LEU HA 1 91 LEU MD1 . . 4.110 3.893 3.802 3.956 . 0 0 "[ . 1 . 2]" 1
1869 1 91 LEU HA 1 91 LEU MD2 . . 3.030 2.099 1.981 2.435 . 0 0 "[ . 1 . 2]" 1
1870 1 91 LEU HA 1 91 LEU HG . . 4.140 3.246 3.034 3.459 . 0 0 "[ . 1 . 2]" 1
1871 1 91 LEU HA 1 92 PRO HD2 . . 3.520 2.327 2.254 2.373 . 0 0 "[ . 1 . 2]" 1
1872 1 91 LEU HA 1 92 PRO HD3 . . 3.420 2.277 2.260 2.290 . 0 0 "[ . 1 . 2]" 1
1873 1 91 LEU HA 1 93 GLU H . . 4.760 3.866 3.792 3.995 . 0 0 "[ . 1 . 2]" 1
1874 1 91 LEU QB 1 91 LEU MD1 . . 3.040 2.065 2.018 2.094 . 0 0 "[ . 1 . 2]" 1
1875 1 91 LEU QB 1 92 PRO HD2 . . 3.700 2.092 1.986 2.277 . 0 0 "[ . 1 . 2]" 1
1876 1 91 LEU QB 1 92 PRO HD3 . . 5.340 3.427 3.326 3.583 . 0 0 "[ . 1 . 2]" 1
1877 1 91 LEU QB 1 93 GLU H . . 3.360 2.471 2.383 2.605 . 0 0 "[ . 1 . 2]" 1
1878 1 91 LEU QB 1 93 GLU QB . . 4.160 2.979 2.784 3.077 . 0 0 "[ . 1 . 2]" 1
1879 1 91 LEU QB 1 93 GLU HG3 . . 4.140 3.346 3.192 3.521 . 0 0 "[ . 1 . 2]" 1
1880 1 91 LEU QB 1 94 ASP H . . 4.250 2.695 2.400 2.915 . 0 0 "[ . 1 . 2]" 1
1881 1 91 LEU HB2 1 92 PRO HD2 . . 4.220 3.584 3.425 3.794 . 0 0 "[ . 1 . 2]" 1
1882 1 91 LEU HB2 1 93 GLU H . . 3.910 2.969 2.727 3.281 . 0 0 "[ . 1 . 2]" 1
1883 1 91 LEU HB2 1 93 GLU QB . . 4.770 3.304 2.970 3.626 . 0 0 "[ . 1 . 2]" 1
1884 1 91 LEU HB2 1 93 GLU HG3 . . 4.750 4.398 4.076 4.703 . 0 0 "[ . 1 . 2]" 1
1885 1 91 LEU HB3 1 92 PRO HD2 . . 4.220 2.107 1.999 2.295 . 0 0 "[ . 1 . 2]" 1
1886 1 91 LEU HB3 1 93 GLU H . . 3.910 2.662 2.447 2.773 . 0 0 "[ . 1 . 2]" 1
1887 1 91 LEU HB3 1 93 GLU QB . . 4.770 3.412 3.189 3.620 . 0 0 "[ . 1 . 2]" 1
1888 1 91 LEU HB3 1 93 GLU HG3 . . 4.750 3.473 3.307 3.642 . 0 0 "[ . 1 . 2]" 1
1889 1 91 LEU MD1 1 92 PRO HD2 . . 4.250 4.013 3.855 4.222 . 0 0 "[ . 1 . 2]" 1
1890 1 91 LEU MD1 1 93 GLU H . . 4.220 4.124 4.016 4.205 . 0 0 "[ . 1 . 2]" 1
1891 1 91 LEU MD1 1 93 GLU QB . . 4.260 3.428 3.284 3.550 . 0 0 "[ . 1 . 2]" 1
1892 1 91 LEU MD1 1 93 GLU HG3 . . 4.490 4.192 3.866 4.443 . 0 0 "[ . 1 . 2]" 1
1893 1 91 LEU MD1 1 94 ASP H . . 4.820 4.218 3.764 4.537 . 0 0 "[ . 1 . 2]" 1
1894 1 91 LEU MD2 1 92 PRO HD2 . . 3.920 2.849 2.370 3.099 . 0 0 "[ . 1 . 2]" 1
1895 1 91 LEU MD2 1 92 PRO HD3 . . 3.560 3.429 3.190 3.548 . 0 0 "[ . 1 . 2]" 1
1896 1 91 LEU MD2 1 93 GLU HG3 . . 5.500 4.916 4.275 5.323 . 0 0 "[ . 1 . 2]" 1
1897 1 91 LEU MD2 1 102 MET ME . . 4.480 4.159 3.781 4.439 . 0 0 "[ . 1 . 2]" 1
1898 1 92 PRO HA 1 95 LEU H . . 4.770 3.828 3.704 4.042 . 0 0 "[ . 1 . 2]" 1
1899 1 92 PRO HA 1 95 LEU MD1 . . 3.670 2.693 2.027 3.372 . 0 0 "[ . 1 . 2]" 1
1900 1 92 PRO HA 1 96 VAL MG2 . . 5.280 4.792 4.381 5.259 . 0 0 "[ . 1 . 2]" 1
1901 1 92 PRO HB2 1 93 GLU H . . 4.330 3.731 3.528 3.821 . 0 0 "[ . 1 . 2]" 1
1902 1 92 PRO HB3 1 93 GLU H . . 4.420 4.371 4.254 4.424 0.004 19 0 "[ . 1 . 2]" 1
1903 1 92 PRO HD2 1 93 GLU H . . 4.410 2.794 2.680 2.862 . 0 0 "[ . 1 . 2]" 1
1904 1 92 PRO HD3 1 93 GLU H . . 4.650 3.921 3.859 3.956 . 0 0 "[ . 1 . 2]" 1
1905 1 92 PRO QG 1 93 GLU H . . 4.380 2.890 2.596 3.027 . 0 0 "[ . 1 . 2]" 1
1906 1 93 GLU H 1 93 GLU QB . . 3.120 2.423 2.326 2.526 . 0 0 "[ . 1 . 2]" 1
1907 1 93 GLU H 1 93 GLU HG2 . . 4.160 3.441 3.120 3.698 . 0 0 "[ . 1 . 2]" 1
1908 1 93 GLU H 1 93 GLU HG3 . . 3.510 2.470 2.191 2.744 . 0 0 "[ . 1 . 2]" 1
1909 1 93 GLU H 1 94 ASP H . . 3.670 2.414 2.269 2.594 . 0 0 "[ . 1 . 2]" 1
1910 1 93 GLU HA 1 93 GLU HG2 . . 3.700 2.489 2.322 2.888 . 0 0 "[ . 1 . 2]" 1
1911 1 93 GLU HA 1 93 GLU HG3 . . 4.150 3.199 2.892 3.397 . 0 0 "[ . 1 . 2]" 1
1912 1 93 GLU HA 1 96 VAL H . . 4.180 3.310 3.173 3.424 . 0 0 "[ . 1 . 2]" 1
1913 1 93 GLU HA 1 96 VAL HB . . 3.260 2.905 2.426 3.261 0.001 19 0 "[ . 1 . 2]" 1
1914 1 93 GLU HA 1 96 VAL MG2 . . 3.470 2.662 2.207 3.028 . 0 0 "[ . 1 . 2]" 1
1915 1 93 GLU HA 1 97 GLU H . . 4.670 4.298 3.943 4.621 . 0 0 "[ . 1 . 2]" 1
1916 1 93 GLU QB 1 94 ASP H . . 4.370 2.646 2.408 2.914 . 0 0 "[ . 1 . 2]" 1
1917 1 93 GLU QB 1 96 VAL HB . . 4.110 3.977 3.703 4.115 0.005 14 0 "[ . 1 . 2]" 1
1918 1 93 GLU QB 1 96 VAL MG1 . . 5.110 4.792 4.523 5.032 . 0 0 "[ . 1 . 2]" 1
1919 1 93 GLU HG2 1 96 VAL MG2 . . 4.360 4.144 3.815 4.362 0.002 9 0 "[ . 1 . 2]" 1
1920 1 93 GLU HG3 1 94 ASP H . . 4.720 4.320 4.140 4.612 . 0 0 "[ . 1 . 2]" 1
1921 1 94 ASP H 1 94 ASP HB2 . . 4.070 2.900 2.232 3.520 . 0 0 "[ . 1 . 2]" 1
1922 1 94 ASP H 1 94 ASP QB . . 3.540 2.397 2.161 2.703 . 0 0 "[ . 1 . 2]" 1
1923 1 94 ASP H 1 94 ASP HB3 . . 4.070 3.033 2.182 3.596 . 0 0 "[ . 1 . 2]" 1
1924 1 94 ASP H 1 95 LEU H . . 3.320 2.815 2.655 3.005 . 0 0 "[ . 1 . 2]" 1
1925 1 94 ASP H 1 99 LYS HD2 . . 4.900 4.649 3.870 4.903 0.003 6 0 "[ . 1 . 2]" 1
1926 1 94 ASP HA 1 97 GLU HB2 . . 3.620 3.264 2.763 3.607 . 0 0 "[ . 1 . 2]" 1
1927 1 94 ASP HA 1 99 LYS H . . 4.170 3.554 3.072 3.970 . 0 0 "[ . 1 . 2]" 1
1928 1 94 ASP HA 1 99 LYS HB2 . . 4.340 3.501 2.887 4.213 . 0 0 "[ . 1 . 2]" 1
1929 1 94 ASP HA 1 99 LYS HE2 . . 4.130 3.725 3.158 4.158 0.028 14 0 "[ . 1 . 2]" 1
1930 1 94 ASP HA 1 99 LYS QE . . 3.520 2.772 2.057 3.522 0.002 20 0 "[ . 1 . 2]" 1
1931 1 94 ASP HA 1 99 LYS HE3 . . 4.130 3.049 2.076 4.075 . 0 0 "[ . 1 . 2]" 1
1932 1 94 ASP HA 1 99 LYS HG2 . . 4.250 3.948 2.726 4.254 0.004 18 0 "[ . 1 . 2]" 1
1933 1 94 ASP HA 1 99 LYS HG3 . . 3.940 2.444 1.997 2.816 . 0 0 "[ . 1 . 2]" 1
1934 1 94 ASP QB 1 95 LEU H . . 3.610 2.833 2.421 3.480 . 0 0 "[ . 1 . 2]" 1
1935 1 94 ASP QB 1 95 LEU MD2 . . 4.560 4.164 3.524 4.548 . 0 0 "[ . 1 . 2]" 1
1936 1 94 ASP QB 1 99 LYS H . . 4.980 3.832 3.502 4.572 . 0 0 "[ . 1 . 2]" 1
1937 1 94 ASP QB 1 99 LYS HB2 . . 5.130 2.833 2.350 3.755 . 0 0 "[ . 1 . 2]" 1
1938 1 94 ASP QB 1 102 MET H . . 4.790 4.166 3.622 4.717 . 0 0 "[ . 1 . 2]" 1
1939 1 94 ASP QB 1 102 MET QB . . 3.380 2.237 1.913 2.748 . 0 0 "[ . 1 . 2]" 1
1940 1 94 ASP QB 1 102 MET ME . . 4.380 3.638 2.983 4.123 . 0 0 "[ . 1 . 2]" 1
1941 1 94 ASP QB 1 102 MET QG . . 4.250 3.175 2.463 3.973 . 0 0 "[ . 1 . 2]" 1
1942 1 94 ASP QB 1 103 VAL MG2 . . 4.770 3.149 2.583 3.960 . 0 0 "[ . 1 . 2]" 1
1943 1 94 ASP HB2 1 95 LEU H . . 4.180 3.189 2.454 4.102 . 0 0 "[ . 1 . 2]" 1
1944 1 94 ASP HB2 1 102 MET HB2 . . 4.550 3.109 2.056 4.378 . 0 0 "[ . 1 . 2]" 1
1945 1 94 ASP HB2 1 102 MET HB3 . . 4.550 3.400 2.768 3.851 . 0 0 "[ . 1 . 2]" 1
1946 1 94 ASP HB3 1 95 LEU H . . 4.180 3.588 2.631 4.013 . 0 0 "[ . 1 . 2]" 1
1947 1 94 ASP HB3 1 102 MET HB2 . . 4.550 2.906 1.999 4.070 . 0 0 "[ . 1 . 2]" 1
1948 1 94 ASP HB3 1 102 MET HB3 . . 4.550 3.345 2.217 4.177 . 0 0 "[ . 1 . 2]" 1
1949 1 95 LEU H 1 95 LEU HB2 . . 3.710 2.482 2.327 2.593 . 0 0 "[ . 1 . 2]" 1
1950 1 95 LEU H 1 95 LEU QB . . 3.160 2.438 2.299 2.536 . 0 0 "[ . 1 . 2]" 1
1951 1 95 LEU H 1 95 LEU HB3 . . 3.710 3.581 3.568 3.591 . 0 0 "[ . 1 . 2]" 1
1952 1 95 LEU H 1 95 LEU MD1 . . 3.820 3.429 3.215 3.765 . 0 0 "[ . 1 . 2]" 1
1953 1 95 LEU H 1 95 LEU MD2 . . 4.120 3.523 3.258 3.994 . 0 0 "[ . 1 . 2]" 1
1954 1 95 LEU H 1 95 LEU HG . . 3.470 2.272 2.044 2.699 . 0 0 "[ . 1 . 2]" 1
1955 1 95 LEU H 1 96 VAL H . . 3.380 2.699 2.477 2.877 . 0 0 "[ . 1 . 2]" 1
1956 1 95 LEU H 1 96 VAL HB . . 5.230 4.819 4.530 5.025 . 0 0 "[ . 1 . 2]" 1
1957 1 95 LEU H 1 96 VAL MG2 . . 4.320 4.225 4.049 4.301 . 0 0 "[ . 1 . 2]" 1
1958 1 95 LEU H 1 97 GLU H . . 4.530 4.307 4.062 4.513 . 0 0 "[ . 1 . 2]" 1
1959 1 95 LEU H 1 103 VAL MG2 . . 4.610 4.091 3.758 4.474 . 0 0 "[ . 1 . 2]" 1
1960 1 95 LEU HA 1 95 LEU MD2 . . 3.010 2.266 1.991 2.492 . 0 0 "[ . 1 . 2]" 1
1961 1 95 LEU HA 1 95 LEU HG . . 3.910 2.972 2.691 3.131 . 0 0 "[ . 1 . 2]" 1
1962 1 95 LEU HA 1 97 GLU H . . 4.790 4.558 4.191 4.754 . 0 0 "[ . 1 . 2]" 1
1963 1 95 LEU HA 1 98 VAL H . . 4.010 3.353 3.206 3.583 . 0 0 "[ . 1 . 2]" 1
1964 1 95 LEU HA 1 98 VAL HA . . 4.420 3.189 2.919 3.515 . 0 0 "[ . 1 . 2]" 1
1965 1 95 LEU HA 1 103 VAL MG1 . . 4.280 3.970 3.535 4.282 0.002 8 0 "[ . 1 . 2]" 1
1966 1 95 LEU HA 1 103 VAL MG2 . . 3.590 2.434 2.218 2.831 . 0 0 "[ . 1 . 2]" 1
1967 1 95 LEU QB 1 95 LEU MD1 . . 3.010 2.034 1.964 2.095 . 0 0 "[ . 1 . 2]" 1
1968 1 95 LEU QB 1 95 LEU MD2 . . 3.230 2.176 2.063 2.324 . 0 0 "[ . 1 . 2]" 1
1969 1 95 LEU QB 1 96 VAL H . . 3.910 2.448 2.133 2.702 . 0 0 "[ . 1 . 2]" 1
1970 1 95 LEU QB 1 103 VAL MG2 . . 4.500 4.009 3.722 4.435 . 0 0 "[ . 1 . 2]" 1
1971 1 95 LEU HB2 1 95 LEU MD1 . . 3.550 2.161 2.031 2.351 . 0 0 "[ . 1 . 2]" 1
1972 1 95 LEU HB2 1 96 VAL H . . 4.730 2.497 2.160 2.786 . 0 0 "[ . 1 . 2]" 1
1973 1 95 LEU HB3 1 95 LEU MD1 . . 3.550 2.516 2.344 2.623 . 0 0 "[ . 1 . 2]" 1
1974 1 95 LEU HB3 1 96 VAL H . . 4.730 3.544 3.307 3.737 . 0 0 "[ . 1 . 2]" 1
1975 1 95 LEU MD1 1 96 VAL H . . 4.650 4.254 4.048 4.514 . 0 0 "[ . 1 . 2]" 1
1976 1 95 LEU MD1 1 106 VAL MG1 . . 3.840 3.321 3.016 3.645 . 0 0 "[ . 1 . 2]" 1
1977 1 95 LEU MD2 1 96 VAL H . . 5.090 4.715 4.545 4.864 . 0 0 "[ . 1 . 2]" 1
1978 1 95 LEU MD2 1 98 VAL H . . 5.500 5.100 4.826 5.288 . 0 0 "[ . 1 . 2]" 1
1979 1 95 LEU MD2 1 103 VAL HA . . 3.860 3.231 2.615 3.607 . 0 0 "[ . 1 . 2]" 1
1980 1 95 LEU MD2 1 103 VAL HB . . 5.500 4.843 4.424 5.351 . 0 0 "[ . 1 . 2]" 1
1981 1 95 LEU MD2 1 103 VAL MG1 . . 3.700 2.997 2.600 3.531 . 0 0 "[ . 1 . 2]" 1
1982 1 95 LEU MD2 1 103 VAL MG2 . . 3.300 2.484 1.990 3.128 . 0 0 "[ . 1 . 2]" 1
1983 1 95 LEU MD2 1 106 VAL MG1 . . 3.040 2.295 1.867 2.657 . 0 0 "[ . 1 . 2]" 1
1984 1 95 LEU HG 1 96 VAL H . . 4.810 4.322 4.118 4.611 . 0 0 "[ . 1 . 2]" 1
1985 1 95 LEU HG 1 103 VAL MG2 . . 4.970 3.920 3.309 4.761 . 0 0 "[ . 1 . 2]" 1
1986 1 96 VAL H 1 96 VAL HB . . 3.760 2.510 2.343 2.611 . 0 0 "[ . 1 . 2]" 1
1987 1 96 VAL H 1 96 VAL MG1 . . 4.200 3.756 3.713 3.770 . 0 0 "[ . 1 . 2]" 1
1988 1 96 VAL H 1 96 VAL MG2 . . 3.280 2.189 1.921 2.510 . 0 0 "[ . 1 . 2]" 1
1989 1 96 VAL H 1 97 GLU H . . 4.040 2.829 2.654 2.986 . 0 0 "[ . 1 . 2]" 1
1990 1 96 VAL HA 1 96 VAL MG1 . . 3.380 2.408 2.315 2.485 . 0 0 "[ . 1 . 2]" 1
1991 1 96 VAL HA 1 96 VAL MG2 . . 3.380 2.321 2.155 2.441 . 0 0 "[ . 1 . 2]" 1
1992 1 96 VAL HA 1 98 VAL MG2 . . 4.790 3.802 3.570 4.033 . 0 0 "[ . 1 . 2]" 1
1993 1 96 VAL HB 1 97 GLU H . . 3.130 2.484 2.332 2.769 . 0 0 "[ . 1 . 2]" 1
1994 1 96 VAL MG1 1 97 GLU H . . 3.880 3.232 2.898 3.513 . 0 0 "[ . 1 . 2]" 1
1995 1 96 VAL MG1 1 97 GLU HA . . 4.070 3.403 3.169 3.581 . 0 0 "[ . 1 . 2]" 1
1996 1 96 VAL MG1 1 97 GLU HG2 . . 4.090 3.123 2.476 3.849 . 0 0 "[ . 1 . 2]" 1
1997 1 96 VAL MG1 1 97 GLU QG . . 3.580 2.915 2.455 3.524 . 0 0 "[ . 1 . 2]" 1
1998 1 96 VAL MG1 1 97 GLU HG3 . . 4.090 3.772 3.259 4.090 0.000 5 0 "[ . 1 . 2]" 1
1999 1 96 VAL MG2 1 97 GLU H . . 4.030 3.839 3.744 3.945 . 0 0 "[ . 1 . 2]" 1
2000 1 96 VAL MG2 1 97 GLU QG . . 4.860 4.424 4.269 4.644 . 0 0 "[ . 1 . 2]" 1
2001 1 97 GLU H 1 97 GLU HB2 . . 3.830 2.490 2.344 2.595 . 0 0 "[ . 1 . 2]" 1
2002 1 97 GLU H 1 97 GLU HB3 . . 3.820 3.615 3.577 3.645 . 0 0 "[ . 1 . 2]" 1
2003 1 97 GLU H 1 97 GLU HG2 . . 3.640 3.008 2.271 3.569 . 0 0 "[ . 1 . 2]" 1
2004 1 97 GLU H 1 97 GLU QG . . 3.180 2.365 2.210 2.661 . 0 0 "[ . 1 . 2]" 1
2005 1 97 GLU H 1 97 GLU HG3 . . 3.640 2.735 2.243 3.481 . 0 0 "[ . 1 . 2]" 1
2006 1 97 GLU H 1 98 VAL H . . 3.220 2.492 2.380 2.619 . 0 0 "[ . 1 . 2]" 1
2007 1 97 GLU H 1 98 VAL HA . . 4.950 4.693 4.594 4.768 . 0 0 "[ . 1 . 2]" 1
2008 1 97 GLU H 1 99 LYS H . . 4.460 4.110 3.789 4.423 . 0 0 "[ . 1 . 2]" 1
2009 1 97 GLU H 1 99 LYS QE . . 4.900 4.236 3.509 4.904 0.004 20 0 "[ . 1 . 2]" 1
2010 1 97 GLU H 1 99 LYS HG2 . . 5.500 5.071 4.161 5.497 . 0 0 "[ . 1 . 2]" 1
2011 1 97 GLU H 1 99 LYS HG3 . . 4.680 3.966 3.650 4.473 . 0 0 "[ . 1 . 2]" 1
2012 1 97 GLU HA 1 97 GLU HG2 . . 3.870 2.557 2.290 2.832 . 0 0 "[ . 1 . 2]" 1
2013 1 97 GLU HA 1 97 GLU QG . . 3.210 2.491 2.249 2.761 . 0 0 "[ . 1 . 2]" 1
2014 1 97 GLU HA 1 97 GLU HG3 . . 3.870 3.461 3.078 3.821 . 0 0 "[ . 1 . 2]" 1
2015 1 97 GLU HA 1 98 VAL HB . . 5.290 4.484 4.390 4.559 . 0 0 "[ . 1 . 2]" 1
2016 1 97 GLU HA 1 98 VAL MG2 . . 4.440 3.602 3.403 3.762 . 0 0 "[ . 1 . 2]" 1
2017 1 97 GLU HB2 1 98 VAL H . . 3.890 3.440 2.931 3.697 . 0 0 "[ . 1 . 2]" 1
2018 1 97 GLU HB2 1 99 LYS H . . 3.460 3.329 2.959 3.464 0.004 20 0 "[ . 1 . 2]" 1
2019 1 97 GLU HB2 1 99 LYS QE . . 3.560 2.417 1.986 2.872 . 0 0 "[ . 1 . 2]" 1
2020 1 97 GLU HB2 1 99 LYS HG3 . . 3.350 2.303 2.028 3.361 0.011 14 0 "[ . 1 . 2]" 1
2021 1 97 GLU HB3 1 98 VAL H . . 4.480 4.232 3.914 4.392 . 0 0 "[ . 1 . 2]" 1
2022 1 97 GLU HB3 1 99 LYS H . . 4.820 4.306 3.961 4.609 . 0 0 "[ . 1 . 2]" 1
2023 1 97 GLU HB3 1 99 LYS QE . . 4.170 3.124 2.784 3.627 . 0 0 "[ . 1 . 2]" 1
2024 1 97 GLU HB3 1 99 LYS HG2 . . 4.290 3.228 2.888 3.553 . 0 0 "[ . 1 . 2]" 1
2025 1 97 GLU HB3 1 99 LYS HG3 . . 4.460 3.534 3.059 4.461 0.001 20 0 "[ . 1 . 2]" 1
2026 1 97 GLU QG 1 98 VAL H . . 5.340 4.271 4.113 4.429 . 0 0 "[ . 1 . 2]" 1
2027 1 97 GLU QG 1 99 LYS QE . . 4.540 2.967 2.324 3.765 . 0 0 "[ . 1 . 2]" 1
2028 1 98 VAL H 1 98 VAL MG1 . . 4.260 3.949 3.905 4.000 . 0 0 "[ . 1 . 2]" 1
2029 1 98 VAL H 1 98 VAL MG2 . . 3.220 2.353 2.210 2.552 . 0 0 "[ . 1 . 2]" 1
2030 1 98 VAL H 1 99 LYS H . . 3.600 2.841 2.610 3.015 . 0 0 "[ . 1 . 2]" 1
2031 1 98 VAL H 1 103 VAL MG2 . . 3.940 3.709 3.500 3.918 . 0 0 "[ . 1 . 2]" 1
2032 1 98 VAL HA 1 98 VAL MG1 . . 3.260 2.278 2.184 2.359 . 0 0 "[ . 1 . 2]" 1
2033 1 98 VAL HA 1 98 VAL MG2 . . 3.400 2.508 2.389 2.566 . 0 0 "[ . 1 . 2]" 1
2034 1 98 VAL HA 1 99 LYS H . . 3.210 2.726 2.651 2.921 . 0 0 "[ . 1 . 2]" 1
2035 1 98 VAL HA 1 103 VAL MG1 . . 4.410 3.691 3.279 4.091 . 0 0 "[ . 1 . 2]" 1
2036 1 98 VAL HA 1 103 VAL MG2 . . 3.260 2.246 2.014 2.610 . 0 0 "[ . 1 . 2]" 1
2037 1 98 VAL HB 1 99 LYS H . . 4.820 4.267 4.092 4.319 . 0 0 "[ . 1 . 2]" 1
2038 1 98 VAL HB 1 103 VAL MG2 . . 4.850 4.479 4.207 4.787 . 0 0 "[ . 1 . 2]" 1
2039 1 98 VAL MG1 1 99 LYS H . . 4.150 4.009 3.946 4.110 . 0 0 "[ . 1 . 2]" 1
2040 1 98 VAL MG1 1 100 PRO HA . . 4.860 4.440 4.110 4.635 . 0 0 "[ . 1 . 2]" 1
2041 1 98 VAL MG1 1 103 VAL MG1 . . 3.780 3.144 2.711 3.586 . 0 0 "[ . 1 . 2]" 1
2042 1 98 VAL MG1 1 103 VAL MG2 . . 3.120 2.813 2.545 3.043 . 0 0 "[ . 1 . 2]" 1
2043 1 98 VAL MG2 1 99 LYS H . . 4.520 4.290 4.252 4.329 . 0 0 "[ . 1 . 2]" 1
2044 1 99 LYS H 1 99 LYS HB2 . . 3.650 2.623 2.486 2.953 . 0 0 "[ . 1 . 2]" 1
2045 1 99 LYS H 1 99 LYS HB3 . . 3.980 3.588 3.504 3.609 . 0 0 "[ . 1 . 2]" 1
2046 1 99 LYS H 1 99 LYS HG2 . . 3.850 3.049 2.081 3.494 . 0 0 "[ . 1 . 2]" 1
2047 1 99 LYS H 1 99 LYS HG3 . . 3.680 2.127 1.918 2.253 . 0 0 "[ . 1 . 2]" 1
2048 1 99 LYS H 1 103 VAL HB . . 5.500 4.718 4.418 5.244 . 0 0 "[ . 1 . 2]" 1
2049 1 99 LYS H 1 103 VAL MG2 . . 3.360 2.579 2.305 2.987 . 0 0 "[ . 1 . 2]" 1
2050 1 99 LYS HA 1 99 LYS HG2 . . 3.780 2.600 2.471 2.786 . 0 0 "[ . 1 . 2]" 1
2051 1 99 LYS HB2 1 101 LYS H . . 3.650 3.374 3.015 3.657 0.007 19 0 "[ . 1 . 2]" 1
2052 1 99 LYS HB2 1 103 VAL MG2 . . 3.850 3.036 2.671 3.262 . 0 0 "[ . 1 . 2]" 1
2053 1 99 LYS HB3 1 100 PRO QD . . 4.720 3.071 2.918 3.405 . 0 0 "[ . 1 . 2]" 1
2054 1 99 LYS QE 1 99 LYS HG3 . . 3.600 2.502 2.204 3.253 . 0 0 "[ . 1 . 2]" 1
2055 1 99 LYS HG2 1 100 PRO QD . . 5.050 3.835 3.633 4.258 . 0 0 "[ . 1 . 2]" 1
2056 1 100 PRO HA 1 103 VAL H . . 4.330 3.993 3.584 4.338 0.008 14 0 "[ . 1 . 2]" 1
2057 1 100 PRO HA 1 103 VAL HB . . 3.550 2.837 2.603 3.183 . 0 0 "[ . 1 . 2]" 1
2058 1 100 PRO HA 1 103 VAL MG1 . . 4.320 4.042 3.688 4.321 0.001 6 0 "[ . 1 . 2]" 1
2059 1 100 PRO HA 1 103 VAL MG2 . . 3.950 3.844 3.556 3.954 0.004 8 0 "[ . 1 . 2]" 1
2060 1 100 PRO HA 1 104 MET H . . 4.460 3.815 3.545 4.293 . 0 0 "[ . 1 . 2]" 1
2061 1 100 PRO QD 1 101 LYS H . . 4.060 2.911 2.788 2.965 . 0 0 "[ . 1 . 2]" 1
2062 1 100 PRO HG2 1 101 LYS H . . 3.950 3.287 3.063 3.377 . 0 0 "[ . 1 . 2]" 1
2063 1 101 LYS H 1 101 LYS HB2 . . 3.890 2.680 2.274 3.698 . 0 0 "[ . 1 . 2]" 1
2064 1 101 LYS H 1 101 LYS QB . . 3.160 2.473 2.249 2.951 . 0 0 "[ . 1 . 2]" 1
2065 1 101 LYS H 1 101 LYS HB3 . . 3.890 3.468 2.560 3.715 . 0 0 "[ . 1 . 2]" 1
2066 1 101 LYS H 1 101 LYS QD . . 4.410 3.498 1.907 4.314 . 0 0 "[ . 1 . 2]" 1
2067 1 101 LYS H 1 101 LYS HG2 . . 4.430 3.106 1.964 4.400 . 0 0 "[ . 1 . 2]" 1
2068 1 101 LYS H 1 101 LYS QG . . 3.680 2.636 1.944 3.430 . 0 0 "[ . 1 . 2]" 1
2069 1 101 LYS H 1 101 LYS HG3 . . 4.430 3.346 2.734 3.861 . 0 0 "[ . 1 . 2]" 1
2070 1 101 LYS H 1 102 MET H . . 3.570 2.294 1.973 2.584 . 0 0 "[ . 1 . 2]" 1
2071 1 101 LYS HA 1 101 LYS QE . . 4.660 3.968 1.988 4.654 . 0 0 "[ . 1 . 2]" 1
2072 1 101 LYS HA 1 101 LYS HG2 . . 4.240 3.111 2.320 3.872 . 0 0 "[ . 1 . 2]" 1
2073 1 101 LYS HA 1 101 LYS HG3 . . 4.240 3.287 2.327 4.236 . 0 0 "[ . 1 . 2]" 1
2074 1 101 LYS HA 1 104 MET H . . 4.650 4.528 4.301 4.650 . 0 0 "[ . 1 . 2]" 1
2075 1 101 LYS QB 1 101 LYS QE . . 4.390 2.851 2.056 3.654 . 0 0 "[ . 1 . 2]" 1
2076 1 101 LYS QB 1 102 MET H . . 3.760 2.850 2.336 3.749 . 0 0 "[ . 1 . 2]" 1
2077 1 101 LYS HB2 1 102 MET H . . 4.290 2.991 2.375 4.231 . 0 0 "[ . 1 . 2]" 1
2078 1 101 LYS HB3 1 102 MET H . . 4.290 3.747 3.235 4.289 . 0 0 "[ . 1 . 2]" 1
2079 1 101 LYS QD 1 101 LYS QG . . 2.370 2.045 2.020 2.092 . 0 0 "[ . 1 . 2]" 1
2080 1 101 LYS QG 1 102 MET H . . 5.270 3.854 2.130 4.692 . 0 0 "[ . 1 . 2]" 1
2081 1 102 MET H 1 102 MET HB2 . . 3.820 2.452 2.242 2.981 . 0 0 "[ . 1 . 2]" 1
2082 1 102 MET H 1 102 MET QB . . 3.270 2.384 2.218 2.638 . 0 0 "[ . 1 . 2]" 1
2083 1 102 MET H 1 102 MET HB3 . . 3.820 3.567 2.362 3.808 . 0 0 "[ . 1 . 2]" 1
2084 1 102 MET H 1 102 MET HG2 . . 4.510 3.384 2.764 4.564 0.054 18 0 "[ . 1 . 2]" 1
2085 1 102 MET H 1 102 MET QG . . 3.910 3.059 2.696 3.907 . 0 0 "[ . 1 . 2]" 1
2086 1 102 MET H 1 102 MET HG3 . . 4.510 3.896 2.764 4.487 . 0 0 "[ . 1 . 2]" 1
2087 1 102 MET H 1 103 VAL H . . 3.500 2.147 1.801 2.450 . 0 0 "[ . 1 . 2]" 1
2088 1 102 MET H 1 103 VAL HB . . 5.210 4.238 3.944 4.491 . 0 0 "[ . 1 . 2]" 1
2089 1 102 MET H 1 103 VAL MG2 . . 4.030 3.628 3.410 3.921 . 0 0 "[ . 1 . 2]" 1
2090 1 102 MET H 1 104 MET H . . 4.670 3.577 3.141 3.880 . 0 0 "[ . 1 . 2]" 1
2091 1 102 MET H 1 105 THR MG . . 5.500 4.726 4.367 5.362 . 0 0 "[ . 1 . 2]" 1
2092 1 102 MET HA 1 102 MET ME . . 3.930 3.726 3.155 3.930 . 0 0 "[ . 1 . 2]" 1
2093 1 102 MET HA 1 105 THR H . . 4.620 3.415 3.226 3.583 . 0 0 "[ . 1 . 2]" 1
2094 1 102 MET HA 1 105 THR HB . . 4.620 4.313 3.640 4.620 . 0 0 "[ . 1 . 2]" 1
2095 1 102 MET QB 1 103 VAL H . . 3.700 2.593 2.368 3.175 . 0 0 "[ . 1 . 2]" 1
2096 1 102 MET QB 1 103 VAL MG2 . . 4.060 3.286 3.126 3.454 . 0 0 "[ . 1 . 2]" 1
2097 1 102 MET QB 1 106 VAL MG2 . . 3.930 3.014 2.581 3.873 . 0 0 "[ . 1 . 2]" 1
2098 1 102 MET HB2 1 103 VAL H . . 4.220 2.753 2.421 3.911 . 0 0 "[ . 1 . 2]" 1
2099 1 102 MET HB3 1 103 VAL H . . 4.220 3.406 2.534 3.918 . 0 0 "[ . 1 . 2]" 1
2100 1 102 MET ME 1 102 MET HG2 . . 3.680 2.988 2.140 3.396 . 0 0 "[ . 1 . 2]" 1
2101 1 102 MET ME 1 102 MET HG3 . . 3.680 2.564 2.104 3.338 . 0 0 "[ . 1 . 2]" 1
2102 1 102 MET ME 1 106 VAL MG2 . . 4.160 3.727 3.248 4.142 . 0 0 "[ . 1 . 2]" 1
2103 1 103 VAL H 1 103 VAL HB . . 3.540 2.569 2.433 2.660 . 0 0 "[ . 1 . 2]" 1
2104 1 103 VAL H 1 103 VAL MG1 . . 4.140 3.766 3.757 3.775 . 0 0 "[ . 1 . 2]" 1
2105 1 103 VAL H 1 103 VAL MG2 . . 3.260 2.049 1.878 2.542 . 0 0 "[ . 1 . 2]" 1
2106 1 103 VAL H 1 104 MET H . . 3.800 2.746 2.354 2.908 . 0 0 "[ . 1 . 2]" 1
2107 1 103 VAL HA 1 103 VAL MG1 . . 3.450 2.358 2.276 2.467 . 0 0 "[ . 1 . 2]" 1
2108 1 103 VAL HA 1 103 VAL MG2 . . 3.230 2.385 2.253 2.452 . 0 0 "[ . 1 . 2]" 1
2109 1 103 VAL HA 1 105 THR H . . 4.910 4.498 4.075 4.920 0.010 13 0 "[ . 1 . 2]" 1
2110 1 103 VAL HA 1 106 VAL H . . 4.230 3.368 3.133 3.599 . 0 0 "[ . 1 . 2]" 1
2111 1 103 VAL HA 1 106 VAL HB . . 3.790 2.408 2.070 3.011 . 0 0 "[ . 1 . 2]" 1
2112 1 103 VAL HA 1 106 VAL MG1 . . 4.600 3.643 3.333 4.205 . 0 0 "[ . 1 . 2]" 1
2113 1 103 VAL HA 1 106 VAL MG2 . . 3.720 2.263 1.995 2.621 . 0 0 "[ . 1 . 2]" 1
2114 1 103 VAL HB 1 104 MET H . . 3.680 3.040 2.759 3.376 . 0 0 "[ . 1 . 2]" 1
2115 1 103 VAL MG1 1 104 MET H . . 4.000 3.731 3.518 3.997 . 0 0 "[ . 1 . 2]" 1
2116 1 103 VAL MG1 1 104 MET HA . . 4.430 3.657 3.449 3.874 . 0 0 "[ . 1 . 2]" 1
2117 1 103 VAL MG1 1 106 VAL HB . . 4.020 3.172 2.674 3.408 . 0 0 "[ . 1 . 2]" 1
2118 1 103 VAL MG1 1 106 VAL MG1 . . 3.930 3.719 3.253 3.926 . 0 0 "[ . 1 . 2]" 1
2119 1 103 VAL MG1 1 107 PHE H . . 4.490 4.194 3.906 4.492 0.002 1 0 "[ . 1 . 2]" 1
2120 1 103 VAL MG1 1 107 PHE QB . . 4.940 4.200 3.937 4.607 . 0 0 "[ . 1 . 2]" 1
2121 1 103 VAL MG1 1 107 PHE QD . . 3.450 2.644 2.243 3.241 . 0 0 "[ . 1 . 2]" 1
2122 1 103 VAL MG1 1 107 PHE QE . . 3.100 2.426 2.080 2.801 . 0 0 "[ . 1 . 2]" 1
2123 1 103 VAL MG2 1 104 MET H . . 4.140 3.994 3.879 4.105 . 0 0 "[ . 1 . 2]" 1
2124 1 104 MET H 1 104 MET HB2 . . 3.770 2.839 2.288 3.636 . 0 0 "[ . 1 . 2]" 1
2125 1 104 MET H 1 104 MET QB . . 3.210 2.291 2.170 2.540 . 0 0 "[ . 1 . 2]" 1
2126 1 104 MET H 1 104 MET HB3 . . 3.770 2.495 2.244 2.806 . 0 0 "[ . 1 . 2]" 1
2127 1 104 MET H 1 104 MET ME . . 4.920 4.722 4.486 4.961 0.041 13 0 "[ . 1 . 2]" 1
2128 1 104 MET H 1 104 MET QG . . 4.450 3.550 2.070 4.043 . 0 0 "[ . 1 . 2]" 1
2129 1 104 MET H 1 105 THR H . . 3.680 2.650 2.344 2.994 . 0 0 "[ . 1 . 2]" 1
2130 1 104 MET HA 1 104 MET QG . . 3.700 2.709 2.316 3.451 . 0 0 "[ . 1 . 2]" 1
2131 1 104 MET HA 1 107 PHE H . . 4.640 3.967 3.601 4.197 . 0 0 "[ . 1 . 2]" 1
2132 1 104 MET HA 1 107 PHE QB . . 5.070 3.696 3.289 4.014 . 0 0 "[ . 1 . 2]" 1
2133 1 104 MET HA 1 107 PHE QD . . 4.640 3.600 2.999 4.046 . 0 0 "[ . 1 . 2]" 1
2134 1 104 MET QB 1 105 THR H . . 4.010 2.663 2.129 3.492 . 0 0 "[ . 1 . 2]" 1
2135 1 104 MET ME 1 105 THR H . . 3.850 3.480 2.996 3.852 0.002 15 0 "[ . 1 . 2]" 1
2136 1 104 MET ME 1 105 THR HB . . 4.670 3.128 2.240 3.603 . 0 0 "[ . 1 . 2]" 1
2137 1 104 MET ME 1 108 ALA MB . . 4.560 3.609 1.818 4.559 . 0 0 "[ . 1 . 2]" 1
2138 1 104 MET QG 1 105 THR H . . 4.520 3.264 1.843 4.221 . 0 0 "[ . 1 . 2]" 1
2139 1 105 THR H 1 105 THR HB . . 4.130 2.649 2.369 2.836 . 0 0 "[ . 1 . 2]" 1
2140 1 105 THR H 1 105 THR HG1 . . 4.730 4.410 4.149 4.532 . 0 0 "[ . 1 . 2]" 1
2141 1 105 THR H 1 105 THR MG . . 3.440 2.142 1.888 2.551 . 0 0 "[ . 1 . 2]" 1
2142 1 105 THR H 1 106 VAL H . . 3.720 2.469 2.288 2.672 . 0 0 "[ . 1 . 2]" 1
2143 1 105 THR H 1 106 VAL MG2 . . 4.750 3.949 3.662 4.141 . 0 0 "[ . 1 . 2]" 1
2144 1 105 THR H 1 107 PHE H . . 5.340 4.290 4.068 4.553 . 0 0 "[ . 1 . 2]" 1
2145 1 105 THR HA 1 105 THR MG . . 3.480 3.194 3.170 3.207 . 0 0 "[ . 1 . 2]" 1
2146 1 105 THR HA 1 106 VAL MG2 . . 5.500 5.094 4.904 5.192 . 0 0 "[ . 1 . 2]" 1
2147 1 105 THR HA 1 108 ALA H . . 4.760 3.271 2.867 3.646 . 0 0 "[ . 1 . 2]" 1
2148 1 105 THR HA 1 108 ALA MB . . 3.420 2.345 2.056 2.716 . 0 0 "[ . 1 . 2]" 1
2149 1 105 THR HA 1 109 CYS H . . 4.750 3.699 3.383 4.606 . 0 0 "[ . 1 . 2]" 1
2150 1 105 THR HB 1 106 VAL H . . 4.290 4.076 3.667 4.232 . 0 0 "[ . 1 . 2]" 1
2151 1 105 THR HB 1 108 ALA MB . . 5.170 4.336 3.944 4.845 . 0 0 "[ . 1 . 2]" 1
2152 1 105 THR MG 1 106 VAL H . . 4.340 2.208 1.920 2.542 . 0 0 "[ . 1 . 2]" 1
2153 1 105 THR MG 1 106 VAL MG2 . . 4.040 2.527 2.209 2.783 . 0 0 "[ . 1 . 2]" 1
2154 1 105 THR MG 1 107 PHE H . . 4.530 4.415 4.161 4.531 0.001 4 0 "[ . 1 . 2]" 1
2155 1 106 VAL H 1 106 VAL HB . . 3.350 2.461 2.347 2.651 . 0 0 "[ . 1 . 2]" 1
2156 1 106 VAL H 1 106 VAL MG1 . . 4.030 3.749 3.714 3.773 . 0 0 "[ . 1 . 2]" 1
2157 1 106 VAL H 1 106 VAL MG2 . . 3.260 2.333 1.880 2.630 . 0 0 "[ . 1 . 2]" 1
2158 1 106 VAL HA 1 106 VAL MG1 . . 3.510 2.438 2.353 2.514 . 0 0 "[ . 1 . 2]" 1
2159 1 106 VAL HA 1 106 VAL MG2 . . 3.250 2.259 2.136 2.417 . 0 0 "[ . 1 . 2]" 1
2160 1 106 VAL HA 1 109 CYS HB2 . . 4.940 4.052 3.234 4.939 . 0 0 "[ . 1 . 2]" 1
2161 1 106 VAL HA 1 109 CYS QB . . 4.130 3.584 3.184 4.151 0.021 1 0 "[ . 1 . 2]" 1
2162 1 106 VAL HA 1 109 CYS HB3 . . 4.940 4.417 3.705 4.935 . 0 0 "[ . 1 . 2]" 1
2163 1 106 VAL HA 1 110 LEU MD1 . . 5.160 4.574 4.056 5.096 . 0 0 "[ . 1 . 2]" 1
2164 1 106 VAL HB 1 107 PHE H . . 3.590 2.757 2.504 2.994 . 0 0 "[ . 1 . 2]" 1
2165 1 106 VAL HB 1 107 PHE QB . . 5.230 4.371 4.226 4.519 . 0 0 "[ . 1 . 2]" 1
2166 1 106 VAL HB 1 107 PHE QD . . 4.630 4.035 3.446 4.368 . 0 0 "[ . 1 . 2]" 1
2167 1 106 VAL HB 1 107 PHE QE . . 5.500 4.937 4.442 5.245 . 0 0 "[ . 1 . 2]" 1
2168 1 106 VAL MG1 1 107 PHE H . . 4.080 3.408 3.256 3.568 . 0 0 "[ . 1 . 2]" 1
2169 1 106 VAL MG1 1 107 PHE HA . . 4.430 3.421 3.230 3.594 . 0 0 "[ . 1 . 2]" 1
2170 1 106 VAL MG1 1 107 PHE QE . . 4.720 4.330 4.051 4.678 . 0 0 "[ . 1 . 2]" 1
2171 1 106 VAL MG1 1 110 LEU MD1 . . 3.500 2.827 2.294 3.163 . 0 0 "[ . 1 . 2]" 1
2172 1 106 VAL MG1 1 110 LEU HG . . 4.310 3.762 3.444 4.211 . 0 0 "[ . 1 . 2]" 1
2173 1 106 VAL MG2 1 107 PHE H . . 4.260 3.972 3.860 4.113 . 0 0 "[ . 1 . 2]" 1
2174 1 107 PHE H 1 107 PHE HB2 . . 3.950 2.245 2.186 2.339 . 0 0 "[ . 1 . 2]" 1
2175 1 107 PHE H 1 107 PHE QB . . 3.360 2.221 2.164 2.310 . 0 0 "[ . 1 . 2]" 1
2176 1 107 PHE H 1 107 PHE HB3 . . 3.950 3.529 3.486 3.578 . 0 0 "[ . 1 . 2]" 1
2177 1 107 PHE H 1 107 PHE QD . . 3.890 3.205 2.813 3.508 . 0 0 "[ . 1 . 2]" 1
2178 1 107 PHE H 1 108 ALA H . . 3.810 2.457 2.268 2.689 . 0 0 "[ . 1 . 2]" 1
2179 1 107 PHE H 1 110 LEU MD1 . . 4.650 4.374 4.091 4.628 . 0 0 "[ . 1 . 2]" 1
2180 1 107 PHE HA 1 107 PHE QD . . 3.580 2.383 2.118 2.733 . 0 0 "[ . 1 . 2]" 1
2181 1 107 PHE HA 1 110 LEU H . . 4.600 3.642 3.355 3.923 . 0 0 "[ . 1 . 2]" 1
2182 1 107 PHE HA 1 110 LEU HB2 . . 4.020 3.144 2.857 3.277 . 0 0 "[ . 1 . 2]" 1
2183 1 107 PHE HA 1 110 LEU HB3 . . 4.770 4.678 4.466 4.773 0.003 1 0 "[ . 1 . 2]" 1
2184 1 107 PHE HA 1 110 LEU MD1 . . 3.660 2.152 1.953 2.449 . 0 0 "[ . 1 . 2]" 1
2185 1 107 PHE HA 1 110 LEU MD2 . . 4.750 4.674 4.448 4.751 0.001 3 0 "[ . 1 . 2]" 1
2186 1 107 PHE HA 1 111 MET H . . 4.750 4.509 4.180 4.749 . 0 0 "[ . 1 . 2]" 1
2187 1 107 PHE QD 1 110 LEU HB2 . . 4.890 4.001 3.450 4.370 . 0 0 "[ . 1 . 2]" 1
2188 1 107 PHE QD 1 110 LEU MD1 . . 4.180 2.722 2.277 3.149 . 0 0 "[ . 1 . 2]" 1
2189 1 108 ALA H 1 108 ALA MB . . 3.440 2.140 2.048 2.244 . 0 0 "[ . 1 . 2]" 1
2190 1 108 ALA H 1 109 CYS H . . 4.040 2.859 2.607 3.133 . 0 0 "[ . 1 . 2]" 1
2191 1 108 ALA HA 1 111 MET H . . 4.510 3.472 2.974 3.974 . 0 0 "[ . 1 . 2]" 1
2192 1 108 ALA HA 1 111 MET HB2 . . 4.170 3.486 2.892 4.169 . 0 0 "[ . 1 . 2]" 1
2193 1 108 ALA HA 1 111 MET HB3 . . 4.170 3.010 2.470 3.349 . 0 0 "[ . 1 . 2]" 1
2194 1 108 ALA HA 1 112 GLY H . . 5.030 4.413 3.687 4.740 . 0 0 "[ . 1 . 2]" 1
2195 1 108 ALA MB 1 109 CYS H . . 3.810 2.439 2.100 2.748 . 0 0 "[ . 1 . 2]" 1
2196 1 108 ALA MB 1 109 CYS HA . . 5.370 3.705 3.523 3.833 . 0 0 "[ . 1 . 2]" 1
2197 1 109 CYS H 1 109 CYS HB2 . . 3.850 2.698 2.172 3.612 . 0 0 "[ . 1 . 2]" 1
2198 1 109 CYS H 1 109 CYS QB . . 3.360 2.309 2.123 2.641 . 0 0 "[ . 1 . 2]" 1
2199 1 109 CYS H 1 109 CYS HB3 . . 3.850 3.028 2.314 3.608 . 0 0 "[ . 1 . 2]" 1
2200 1 109 CYS H 1 110 LEU H . . 3.880 2.869 2.654 3.148 . 0 0 "[ . 1 . 2]" 1
2201 1 109 CYS HA 1 112 GLY H . . 4.180 3.703 3.370 4.066 . 0 0 "[ . 1 . 2]" 1
2202 1 109 CYS HB2 1 110 LEU H . . 4.450 3.257 2.458 4.039 . 0 0 "[ . 1 . 2]" 1
2203 1 109 CYS HB3 1 110 LEU H . . 4.450 3.253 2.136 4.014 . 0 0 "[ . 1 . 2]" 1
2204 1 110 LEU H 1 110 LEU HB2 . . 3.890 2.475 2.354 2.698 . 0 0 "[ . 1 . 2]" 1
2205 1 110 LEU H 1 110 LEU HB3 . . 4.020 3.587 3.565 3.683 . 0 0 "[ . 1 . 2]" 1
2206 1 110 LEU H 1 110 LEU MD1 . . 4.090 3.379 3.178 3.652 . 0 0 "[ . 1 . 2]" 1
2207 1 110 LEU H 1 110 LEU MD2 . . 4.170 3.607 3.353 3.904 . 0 0 "[ . 1 . 2]" 1
2208 1 110 LEU H 1 110 LEU HG . . 3.760 2.309 1.902 2.587 . 0 0 "[ . 1 . 2]" 1
2209 1 110 LEU H 1 111 MET H . . 3.820 2.753 2.139 3.007 . 0 0 "[ . 1 . 2]" 1
2210 1 110 LEU HA 1 110 LEU MD1 . . 4.650 3.904 3.864 3.958 . 0 0 "[ . 1 . 2]" 1
2211 1 110 LEU HA 1 110 LEU MD2 . . 3.440 2.372 2.046 2.556 . 0 0 "[ . 1 . 2]" 1
2212 1 110 LEU HA 1 110 LEU HG . . 4.220 2.902 2.675 3.061 . 0 0 "[ . 1 . 2]" 1
2213 1 110 LEU HA 1 112 GLY H . . 5.360 4.488 4.142 4.882 . 0 0 "[ . 1 . 2]" 1
2214 1 110 LEU HB2 1 111 MET H . . 4.850 2.485 2.242 2.821 . 0 0 "[ . 1 . 2]" 1
2215 1 110 LEU HB3 1 110 LEU MD2 . . 3.550 2.147 2.032 2.296 . 0 0 "[ . 1 . 2]" 1
2216 1 110 LEU MD1 1 111 MET H . . 4.560 4.230 3.850 4.445 . 0 0 "[ . 1 . 2]" 1
2217 1 111 MET H 1 111 MET HB2 . . 3.680 2.552 2.284 3.529 . 0 0 "[ . 1 . 2]" 1
2218 1 111 MET H 1 111 MET HB3 . . 3.680 2.547 2.247 2.797 . 0 0 "[ . 1 . 2]" 1
2219 1 111 MET H 1 111 MET HG2 . . 4.730 4.350 2.726 4.511 . 0 0 "[ . 1 . 2]" 1
2220 1 111 MET H 1 111 MET QG . . 4.080 3.894 2.678 3.982 . 0 0 "[ . 1 . 2]" 1
2221 1 111 MET H 1 111 MET HG3 . . 4.730 4.430 3.929 4.583 . 0 0 "[ . 1 . 2]" 1
2222 1 111 MET H 1 112 GLY H . . 3.820 2.869 2.637 3.097 . 0 0 "[ . 1 . 2]" 1
2223 1 111 MET HA 1 111 MET ME . . 4.570 4.162 3.914 4.431 . 0 0 "[ . 1 . 2]" 1
2224 1 111 MET HA 1 111 MET HG2 . . 4.250 2.954 2.723 3.748 . 0 0 "[ . 1 . 2]" 1
2225 1 111 MET HA 1 111 MET QG . . 3.690 2.562 2.379 3.277 . 0 0 "[ . 1 . 2]" 1
2226 1 111 MET HA 1 111 MET HG3 . . 4.250 2.819 2.570 3.618 . 0 0 "[ . 1 . 2]" 1
2227 1 111 MET HA 1 114 GLY H . . 4.630 3.491 2.967 4.062 . 0 0 "[ . 1 . 2]" 1
2228 1 111 MET QB 1 112 GLY H . . 3.580 2.485 2.094 3.369 . 0 0 "[ . 1 . 2]" 1
2229 1 111 MET HB2 1 112 GLY H . . 4.170 3.823 3.546 4.095 . 0 0 "[ . 1 . 2]" 1
2230 1 111 MET HB3 1 112 GLY H . . 4.170 2.527 2.109 3.632 . 0 0 "[ . 1 . 2]" 1
2231 1 111 MET ME 1 111 MET QG . . 3.580 2.286 2.114 2.462 . 0 0 "[ . 1 . 2]" 1
2232 1 111 MET ME 1 115 MET QG . . 4.620 4.285 3.381 4.615 . 0 0 "[ . 1 . 2]" 1
2233 1 111 MET QG 1 112 GLY H . . 4.570 3.438 1.978 3.838 . 0 0 "[ . 1 . 2]" 1
2234 1 111 MET QG 1 115 MET ME . . 4.570 3.411 2.092 4.400 . 0 0 "[ . 1 . 2]" 1
2235 1 111 MET HG2 1 115 MET QG . . 4.760 2.584 1.970 4.557 . 0 0 "[ . 1 . 2]" 1
2236 1 111 MET HG3 1 115 MET QG . . 4.760 3.023 2.110 4.126 . 0 0 "[ . 1 . 2]" 1
2237 1 112 GLY H 1 113 ARG H . . 3.870 3.185 2.883 3.579 . 0 0 "[ . 1 . 2]" 1
2238 1 112 GLY H 1 113 ARG QB . . 5.140 4.963 4.665 5.140 0.000 19 0 "[ . 1 . 2]" 1
2239 1 113 ARG H 1 113 ARG HB2 . . 3.840 2.368 2.184 2.708 . 0 0 "[ . 1 . 2]" 1
2240 1 113 ARG H 1 113 ARG HB3 . . 3.840 3.183 2.479 3.611 . 0 0 "[ . 1 . 2]" 1
2241 1 113 ARG H 1 113 ARG QG . . 4.380 3.315 2.343 4.054 . 0 0 "[ . 1 . 2]" 1
2242 1 113 ARG H 1 114 GLY H . . 3.740 2.653 2.296 2.939 . 0 0 "[ . 1 . 2]" 1
2243 1 113 ARG HA 1 113 ARG QD . . 4.380 2.932 2.049 4.195 . 0 0 "[ . 1 . 2]" 1
2244 1 113 ARG HB2 1 114 GLY H . . 4.090 3.087 2.357 3.845 . 0 0 "[ . 1 . 2]" 1
2245 1 113 ARG HB3 1 114 GLY H . . 4.090 2.967 2.005 3.767 . 0 0 "[ . 1 . 2]" 1
2246 1 113 ARG QG 1 114 GLY H . . 4.590 4.044 3.413 4.577 . 0 0 "[ . 1 . 2]" 1
2247 1 114 GLY H 1 115 MET H . . 3.780 3.166 2.493 3.650 . 0 0 "[ . 1 . 2]" 1
2248 1 114 GLY QA 1 116 LYS H . . 5.140 4.903 4.216 5.140 . 0 0 "[ . 1 . 2]" 1
2249 1 115 MET H 1 115 MET HB2 . . 4.140 2.676 2.231 3.574 . 0 0 "[ . 1 . 2]" 1
2250 1 115 MET H 1 115 MET QB . . 3.460 2.358 2.164 2.794 . 0 0 "[ . 1 . 2]" 1
2251 1 115 MET H 1 115 MET HB3 . . 4.140 3.184 2.333 3.612 . 0 0 "[ . 1 . 2]" 1
2252 1 115 MET H 1 115 MET QG . . 3.970 2.640 1.869 3.985 0.015 17 0 "[ . 1 . 2]" 1
2253 1 115 MET HA 1 115 MET ME . . 4.650 4.186 3.384 4.625 . 0 0 "[ . 1 . 2]" 1
2254 1 115 MET HA 1 115 MET QG . . 3.840 2.646 2.131 3.437 . 0 0 "[ . 1 . 2]" 1
2255 1 115 MET QG 1 116 LYS H . . 4.780 4.095 2.755 4.537 . 0 0 "[ . 1 . 2]" 1
2256 1 116 LYS H 1 116 LYS QB . . 3.360 2.305 2.140 2.878 . 0 0 "[ . 1 . 2]" 1
2257 1 116 LYS H 1 116 LYS QD . . 4.600 4.061 2.021 4.598 . 0 0 "[ . 1 . 2]" 1
2258 1 116 LYS HA 1 116 LYS QD . . 4.150 2.992 2.011 4.145 . 0 0 "[ . 1 . 2]" 1
2259 1 116 LYS HA 1 116 LYS QE . . 4.230 3.506 1.964 4.229 . 0 0 "[ . 1 . 2]" 1
2260 1 116 LYS HA 1 116 LYS HG2 . . 4.010 3.039 2.227 3.868 . 0 0 "[ . 1 . 2]" 1
2261 1 116 LYS HA 1 116 LYS HG3 . . 4.010 3.014 2.208 3.802 . 0 0 "[ . 1 . 2]" 1
2262 1 117 ARG H 1 117 ARG QB . . 3.640 2.695 2.187 3.363 . 0 0 "[ . 1 . 2]" 1
2263 1 117 ARG HA 1 117 ARG QD . . 4.190 3.669 2.019 4.246 0.056 5 0 "[ . 1 . 2]" 1
2264 1 117 ARG HA 1 117 ARG QG . . 3.870 2.793 2.157 3.484 . 0 0 "[ . 1 . 2]" 1
2265 1 117 ARG HA 1 118 VAL H . . 3.010 2.363 2.140 2.927 . 0 0 "[ . 1 . 2]" 1
2266 1 117 ARG QB 1 118 VAL H . . 3.900 3.173 2.121 3.902 0.002 14 0 "[ . 1 . 2]" 1
2267 1 117 ARG HB2 1 117 ARG QD . . 3.670 2.629 2.117 3.365 . 0 0 "[ . 1 . 2]" 1
2268 1 117 ARG HB3 1 117 ARG QD . . 3.670 2.645 2.053 3.507 . 0 0 "[ . 1 . 2]" 1
2269 1 117 ARG QG 1 118 VAL H . . 4.410 3.640 2.050 4.412 0.002 7 0 "[ . 1 . 2]" 1
2270 1 118 VAL H 1 118 VAL HB . . 3.630 2.931 2.338 3.619 . 0 0 "[ . 1 . 2]" 1
2271 1 118 VAL H 1 118 VAL MG1 . . 4.030 2.973 1.903 3.827 . 0 0 "[ . 1 . 2]" 1
2272 1 118 VAL H 1 118 VAL QG . . 3.540 2.262 1.831 2.731 . 0 0 "[ . 1 . 2]" 1
2273 1 118 VAL H 1 118 VAL MG2 . . 4.030 2.860 1.864 3.985 . 0 0 "[ . 1 . 2]" 1
2274 1 118 VAL HA 1 119 SER H . . 3.540 2.371 2.140 3.566 0.026 4 0 "[ . 1 . 2]" 1
2275 1 118 VAL HB 1 119 SER H . . 4.640 3.766 2.325 4.486 . 0 0 "[ . 1 . 2]" 1
2276 1 118 VAL QG 1 119 SER H . . 4.550 2.791 1.810 3.710 . 0 0 "[ . 1 . 2]" 1
2277 1 118 VAL MG1 1 119 SER H . . 5.350 3.447 1.875 4.120 . 0 0 "[ . 1 . 2]" 1
2278 1 118 VAL MG2 1 119 SER H . . 5.350 3.403 1.822 4.290 . 0 0 "[ . 1 . 2]" 1
2279 1 120 GLY QA 1 121 PRO QD . . 3.180 1.984 1.892 2.091 . 0 0 "[ . 1 . 2]" 1
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