NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404835 |
1x4h   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4h
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 1921
_Distance_constraint_stats_list.Viol_count 809
_Distance_constraint_stats_list.Viol_total 230.218
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.021 0.008 13 0 "[ . 1 . 2]"
1 9 PRO 0.003 0.003 10 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.031 0.031 11 0 "[ . 1 . 2]"
1 13 THR 0.031 0.031 11 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 1.825 0.051 19 0 "[ . 1 . 2]"
1 16 LYS 2.403 0.095 11 0 "[ . 1 . 2]"
1 17 THR 1.202 0.095 11 0 "[ . 1 . 2]"
1 18 VAL 1.211 0.026 12 0 "[ . 1 . 2]"
1 19 PHE 0.015 0.009 14 0 "[ . 1 . 2]"
1 20 ILE 0.243 0.014 2 0 "[ . 1 . 2]"
1 21 ARG 0.200 0.047 16 0 "[ . 1 . 2]"
1 22 ASN 0.027 0.007 14 0 "[ . 1 . 2]"
1 23 LEU 0.027 0.014 14 0 "[ . 1 . 2]"
1 24 SER 0.065 0.014 14 0 "[ . 1 . 2]"
1 25 PHE 0.003 0.003 10 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.010 0.006 16 0 "[ . 1 . 2]"
1 28 GLU 0.132 0.058 18 0 "[ . 1 . 2]"
1 29 GLU 0.401 0.075 18 0 "[ . 1 . 2]"
1 30 GLU 1.861 0.147 6 0 "[ . 1 . 2]"
1 31 ALA 0.166 0.030 18 0 "[ . 1 . 2]"
1 32 LEU 0.286 0.053 9 0 "[ . 1 . 2]"
1 33 GLY 0.008 0.004 4 0 "[ . 1 . 2]"
1 34 GLU 0.005 0.003 1 0 "[ . 1 . 2]"
1 35 VAL 0.039 0.008 18 0 "[ . 1 . 2]"
1 36 LEU 0.093 0.013 10 0 "[ . 1 . 2]"
1 37 GLN 0.055 0.029 10 0 "[ . 1 . 2]"
1 38 GLN 0.019 0.009 8 0 "[ . 1 . 2]"
1 39 PHE 0.006 0.003 11 0 "[ . 1 . 2]"
1 40 GLY 0.028 0.010 12 0 "[ . 1 . 2]"
1 41 ASP 0.067 0.055 10 0 "[ . 1 . 2]"
1 42 LEU 0.051 0.029 10 0 "[ . 1 . 2]"
1 43 LYS 0.183 0.020 16 0 "[ . 1 . 2]"
1 44 TYR 0.168 0.020 16 0 "[ . 1 . 2]"
1 45 VAL 0.036 0.009 10 0 "[ . 1 . 2]"
1 46 ARG 0.035 0.010 12 0 "[ . 1 . 2]"
1 47 VAL 0.018 0.006 1 0 "[ . 1 . 2]"
1 48 VAL 0.016 0.007 2 0 "[ . 1 . 2]"
1 49 LEU 0.034 0.009 15 0 "[ . 1 . 2]"
1 50 HIS 0.224 0.097 15 0 "[ . 1 . 2]"
1 51 PRO 0.055 0.042 11 0 "[ . 1 . 2]"
1 52 ASP 0.131 0.075 15 0 "[ . 1 . 2]"
1 53 THR 0.006 0.006 17 0 "[ . 1 . 2]"
1 54 GLU 0.034 0.018 15 0 "[ . 1 . 2]"
1 55 HIS 0.033 0.017 17 0 "[ . 1 . 2]"
1 56 SER 0.013 0.007 17 0 "[ . 1 . 2]"
1 57 LYS 0.055 0.017 17 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 CYS 0.007 0.005 10 0 "[ . 1 . 2]"
1 60 ALA 0.057 0.012 14 0 "[ . 1 . 2]"
1 61 PHE 0.031 0.010 12 0 "[ . 1 . 2]"
1 62 ALA 0.121 0.014 2 0 "[ . 1 . 2]"
1 63 GLN 0.119 0.017 17 0 "[ . 1 . 2]"
1 64 PHE 0.047 0.013 10 0 "[ . 1 . 2]"
1 65 MET 0.003 0.003 12 0 "[ . 1 . 2]"
1 66 THR 0.036 0.012 8 0 "[ . 1 . 2]"
1 67 GLN 0.352 0.021 5 0 "[ . 1 . 2]"
1 68 GLU 0.053 0.014 16 0 "[ . 1 . 2]"
1 69 ALA 0.143 0.055 10 0 "[ . 1 . 2]"
1 70 ALA 0.744 0.045 8 0 "[ . 1 . 2]"
1 71 GLN 0.253 0.021 11 0 "[ . 1 . 2]"
1 72 LYS 0.067 0.018 2 0 "[ . 1 . 2]"
1 73 CYS 0.175 0.020 11 0 "[ . 1 . 2]"
1 74 LEU 0.306 0.021 18 0 "[ . 1 . 2]"
1 75 ALA 0.068 0.018 2 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 20 0 "[ . 1 . 2]"
1 77 ALA 0.060 0.012 19 0 "[ . 1 . 2]"
1 78 SER 0.042 0.035 19 0 "[ . 1 . 2]"
1 79 LEU 0.565 0.155 20 0 "[ . 1 . 2]"
1 80 GLU 0.193 0.092 9 0 "[ . 1 . 2]"
1 81 ALA 0.429 0.156 20 0 "[ . 1 . 2]"
1 82 GLU 0.546 0.156 20 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.010 0.005 18 0 "[ . 1 . 2]"
1 86 LEU 0.147 0.021 9 0 "[ . 1 . 2]"
1 87 LYS 0.184 0.061 17 0 "[ . 1 . 2]"
1 88 LEU 0.116 0.031 17 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.002 0.002 1 0 "[ . 1 . 2]"
1 91 ARG 0.174 0.020 7 0 "[ . 1 . 2]"
1 92 GLN 0.266 0.061 17 0 "[ . 1 . 2]"
1 93 LEU 0.084 0.017 17 0 "[ . 1 . 2]"
1 94 LYS 0.391 0.054 8 0 "[ . 1 . 2]"
1 95 VAL 0.173 0.018 20 0 "[ . 1 . 2]"
1 96 ASP 0.140 0.018 20 0 "[ . 1 . 2]"
1 97 LEU 1.762 0.051 19 0 "[ . 1 . 2]"
1 98 ALA 0.327 0.026 17 0 "[ . 1 . 2]"
1 99 VAL 0.022 0.020 16 0 "[ . 1 . 2]"
1 100 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ARG 0.008 0.006 11 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 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 48 VAL H 1 48 VAL MG1 . . 3.350 2.017 1.885 2.169 . 0 0 "[ . 1 . 2]" 1
2 1 47 VAL MG2 1 48 VAL H . . 3.450 2.708 2.385 3.012 . 0 0 "[ . 1 . 2]" 1
3 1 48 VAL H 1 48 VAL MG2 . . 3.830 3.764 3.755 3.773 . 0 0 "[ . 1 . 2]" 1
4 1 47 VAL MG1 1 48 VAL H . . 4.350 4.161 4.080 4.255 . 0 0 "[ . 1 . 2]" 1
5 1 19 PHE QD 1 20 ILE H . . 4.270 3.038 2.687 3.629 . 0 0 "[ . 1 . 2]" 1
6 1 20 ILE H 1 20 ILE HB . . 3.570 2.689 2.647 2.756 . 0 0 "[ . 1 . 2]" 1
7 1 20 ILE H 1 20 ILE MD . . 4.050 1.924 1.847 2.033 . 0 0 "[ . 1 . 2]" 1
8 1 92 GLN HA 1 93 LEU H . . 2.980 2.168 2.139 2.269 . 0 0 "[ . 1 . 2]" 1
9 1 93 LEU H 1 93 LEU HG . . 3.030 2.314 2.012 2.672 . 0 0 "[ . 1 . 2]" 1
10 1 93 LEU H 1 93 LEU MD1 . . 4.200 3.695 3.334 3.905 . 0 0 "[ . 1 . 2]" 1
11 1 97 LEU HA 1 98 ALA H . . 2.950 2.188 2.173 2.191 . 0 0 "[ . 1 . 2]" 1
12 1 97 LEU HB2 1 98 ALA H . . 4.700 4.534 4.512 4.540 . 0 0 "[ . 1 . 2]" 1
13 1 17 THR MG 1 98 ALA H . . 3.460 1.880 1.860 1.994 . 0 0 "[ . 1 . 2]" 1
14 1 18 VAL HA 1 98 ALA H . . 3.420 2.874 2.845 2.894 . 0 0 "[ . 1 . 2]" 1
15 1 97 LEU MD2 1 98 ALA H . . 4.190 3.921 3.785 3.976 . 0 0 "[ . 1 . 2]" 1
16 1 44 TYR QD 1 46 ARG H . . 4.080 3.184 2.754 3.580 . 0 0 "[ . 1 . 2]" 1
17 1 46 ARG H 1 62 ALA HA . . 4.230 3.061 2.864 3.206 . 0 0 "[ . 1 . 2]" 1
18 1 46 ARG H 1 60 ALA MB . . 4.580 4.298 4.079 4.512 . 0 0 "[ . 1 . 2]" 1
19 1 45 VAL MG2 1 46 ARG H . . 3.700 2.886 2.616 3.081 . 0 0 "[ . 1 . 2]" 1
20 1 63 GLN HA 1 64 PHE H . . 3.140 2.205 2.139 2.308 . 0 0 "[ . 1 . 2]" 1
21 1 64 PHE H 1 64 PHE HB3 . . 3.980 3.524 3.484 3.580 . 0 0 "[ . 1 . 2]" 1
22 1 63 GLN HG3 1 64 PHE H . . 4.130 3.574 3.189 4.005 . 0 0 "[ . 1 . 2]" 1
23 1 64 PHE H 1 64 PHE QD . . 3.550 3.121 2.803 3.525 . 0 0 "[ . 1 . 2]" 1
24 1 17 THR HA 1 64 PHE H . . 3.990 3.727 3.630 3.860 . 0 0 "[ . 1 . 2]" 1
25 1 64 PHE H 1 64 PHE HB2 . . 3.520 2.281 2.185 2.399 . 0 0 "[ . 1 . 2]" 1
26 1 63 GLN HG2 1 64 PHE H . . 3.630 2.352 2.012 2.918 . 0 0 "[ . 1 . 2]" 1
27 1 63 GLN HB2 1 64 PHE H . . 4.600 4.219 4.090 4.432 . 0 0 "[ . 1 . 2]" 1
28 1 48 VAL MG2 1 49 LEU H . . 3.720 2.403 1.981 2.865 . 0 0 "[ . 1 . 2]" 1
29 1 49 LEU H 1 49 LEU MD2 . . 4.400 3.942 3.608 4.191 . 0 0 "[ . 1 . 2]" 1
30 1 49 LEU H 1 49 LEU HB2 . . 3.910 2.631 2.516 2.771 . 0 0 "[ . 1 . 2]" 1
31 1 49 LEU H 1 49 LEU HB3 . . 3.910 3.749 3.677 3.819 . 0 0 "[ . 1 . 2]" 1
32 1 48 VAL MG1 1 49 LEU H . . 4.250 3.971 3.796 4.108 . 0 0 "[ . 1 . 2]" 1
33 1 78 SER HA 1 79 LEU H . . 3.180 2.163 2.139 2.207 . 0 0 "[ . 1 . 2]" 1
34 1 79 LEU H 1 85 GLY HA3 . . 3.890 3.477 2.922 3.863 . 0 0 "[ . 1 . 2]" 1
35 1 79 LEU H 1 79 LEU HB3 . . 3.030 2.476 2.186 2.966 . 0 0 "[ . 1 . 2]" 1
36 1 79 LEU H 1 79 LEU MD2 . . 4.220 2.539 1.782 3.980 . 0 0 "[ . 1 . 2]" 1
37 1 96 ASP H 1 96 ASP HB2 . . 4.090 3.208 3.014 3.480 . 0 0 "[ . 1 . 2]" 1
38 1 95 VAL MG2 1 96 ASP H . . 4.110 4.103 4.004 4.128 0.018 20 0 "[ . 1 . 2]" 1
39 1 94 LYS HA 1 95 VAL H . . 3.040 2.173 2.158 2.179 . 0 0 "[ . 1 . 2]" 1
40 1 95 VAL H 1 95 VAL HB . . 3.400 2.600 2.535 2.649 . 0 0 "[ . 1 . 2]" 1
41 1 77 ALA MB 1 95 VAL H . . 3.600 2.123 1.869 2.590 . 0 0 "[ . 1 . 2]" 1
42 1 94 LYS QG 1 95 VAL H . . 4.210 4.009 3.959 4.145 . 0 0 "[ . 1 . 2]" 1
43 1 20 ILE HA 1 21 ARG H . . 3.140 2.178 2.156 2.215 . 0 0 "[ . 1 . 2]" 1
44 1 21 ARG H 1 94 LYS HB3 . . 4.100 3.584 3.468 3.754 . 0 0 "[ . 1 . 2]" 1
45 1 21 ARG H 1 21 ARG HB2 . . 3.560 2.462 2.402 2.551 . 0 0 "[ . 1 . 2]" 1
46 1 20 ILE HB 1 21 ARG H . . 4.070 3.940 3.816 4.062 . 0 0 "[ . 1 . 2]" 1
47 1 21 ARG H 1 21 ARG HG2 . . 4.960 4.427 4.042 4.758 . 0 0 "[ . 1 . 2]" 1
48 1 27 SER HA 1 28 GLU H . . 2.920 2.308 2.200 2.459 . 0 0 "[ . 1 . 2]" 1
49 1 27 SER QB 1 28 GLU H . . 3.740 3.101 2.573 3.622 . 0 0 "[ . 1 . 2]" 1
50 1 28 GLU H 1 28 GLU HG2 . . 4.030 3.768 3.516 3.979 . 0 0 "[ . 1 . 2]" 1
51 1 28 GLU H 1 28 GLU HG3 . . 3.470 3.173 2.928 3.372 . 0 0 "[ . 1 . 2]" 1
52 1 28 GLU H 1 28 GLU HB2 . . 3.540 2.865 2.691 2.991 . 0 0 "[ . 1 . 2]" 1
53 1 42 LEU HA 1 43 LYS H . . 3.120 2.150 2.138 2.210 . 0 0 "[ . 1 . 2]" 1
54 1 43 LYS H 1 43 LYS HB2 . . 3.540 2.683 2.564 2.857 . 0 0 "[ . 1 . 2]" 1
55 1 43 LYS H 1 43 LYS HB3 . . 3.370 2.394 2.338 2.498 . 0 0 "[ . 1 . 2]" 1
56 1 42 LEU HB3 1 43 LYS H . . 4.170 3.429 2.992 3.783 . 0 0 "[ . 1 . 2]" 1
57 1 86 LEU HA 1 87 LYS H . . 2.940 2.262 2.194 2.374 . 0 0 "[ . 1 . 2]" 1
58 1 87 LYS H 1 87 LYS QB . . 3.140 2.697 2.568 2.797 . 0 0 "[ . 1 . 2]" 1
59 1 86 LEU HB3 1 87 LYS H . . 4.550 2.881 2.562 3.126 . 0 0 "[ . 1 . 2]" 1
60 1 87 LYS H 1 87 LYS HG3 . . 4.030 3.600 3.366 3.819 . 0 0 "[ . 1 . 2]" 1
61 1 87 LYS H 1 87 LYS HG2 . . 4.090 3.975 3.781 4.107 0.017 17 0 "[ . 1 . 2]" 1
62 1 86 LEU MD2 1 87 LYS H . . 4.440 4.315 3.946 4.444 0.004 14 0 "[ . 1 . 2]" 1
63 1 19 PHE H 1 96 ASP H . . 3.900 2.449 2.254 2.513 . 0 0 "[ . 1 . 2]" 1
64 1 19 PHE H 1 98 ALA H . . 3.890 3.119 3.027 3.322 . 0 0 "[ . 1 . 2]" 1
65 1 18 VAL HA 1 19 PHE H . . 3.120 2.141 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
66 1 19 PHE H 1 97 LEU HA . . 4.270 3.808 3.751 3.863 . 0 0 "[ . 1 . 2]" 1
67 1 19 PHE H 1 19 PHE HB2 . . 3.570 3.029 2.912 3.151 . 0 0 "[ . 1 . 2]" 1
68 1 19 PHE H 1 19 PHE HB3 . . 3.570 2.545 2.445 2.635 . 0 0 "[ . 1 . 2]" 1
69 1 18 VAL HB 1 19 PHE H . . 3.550 3.446 3.241 3.477 . 0 0 "[ . 1 . 2]" 1
70 1 19 PHE H 1 98 ALA MB . . 4.490 3.097 2.998 3.418 . 0 0 "[ . 1 . 2]" 1
71 1 18 VAL MG2 1 19 PHE H . . 4.100 3.921 3.829 3.955 . 0 0 "[ . 1 . 2]" 1
72 1 81 ALA H 1 82 GLU H . . 4.670 4.444 2.996 4.645 . 0 0 "[ . 1 . 2]" 1
73 1 80 GLU H 1 81 ALA H . . 3.540 2.565 2.245 2.894 . 0 0 "[ . 1 . 2]" 1
74 1 80 GLU HB2 1 81 ALA H . . 4.410 3.719 2.261 4.375 . 0 0 "[ . 1 . 2]" 1
75 1 80 GLU HB3 1 81 ALA H . . 4.410 3.276 2.271 4.437 0.027 4 0 "[ . 1 . 2]" 1
76 1 81 ALA H 1 81 ALA MB . . 3.240 2.151 2.046 2.460 . 0 0 "[ . 1 . 2]" 1
77 1 86 LEU H 1 92 GLN HE21 . . 5.010 3.433 2.812 4.563 . 0 0 "[ . 1 . 2]" 1
78 1 77 ALA HA 1 86 LEU H . . 3.710 2.245 1.935 2.517 . 0 0 "[ . 1 . 2]" 1
79 1 85 GLY HA2 1 86 LEU H . . 3.130 2.285 2.140 2.694 . 0 0 "[ . 1 . 2]" 1
80 1 86 LEU H 1 86 LEU HB2 . . 3.490 2.213 2.180 2.267 . 0 0 "[ . 1 . 2]" 1
81 1 86 LEU H 1 86 LEU HB3 . . 3.490 3.492 3.473 3.511 0.021 9 0 "[ . 1 . 2]" 1
82 1 86 LEU H 1 86 LEU MD2 . . 4.500 4.138 3.976 4.236 . 0 0 "[ . 1 . 2]" 1
83 1 41 ASP HA 1 42 LEU H . . 3.110 2.166 2.138 2.352 . 0 0 "[ . 1 . 2]" 1
84 1 41 ASP HB3 1 42 LEU H . . 3.750 3.295 2.591 3.548 . 0 0 "[ . 1 . 2]" 1
85 1 42 LEU H 1 42 LEU HB2 . . 3.380 2.280 2.194 2.465 . 0 0 "[ . 1 . 2]" 1
86 1 42 LEU H 1 42 LEU HG . . 3.720 3.068 2.709 3.534 . 0 0 "[ . 1 . 2]" 1
87 1 42 LEU H 1 42 LEU MD1 . . 4.530 3.624 3.342 3.999 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLY QA 1 8 LEU H . . 3.560 2.338 2.115 2.870 . 0 0 "[ . 1 . 2]" 1
89 1 8 LEU H 1 8 LEU HB2 . . 3.680 3.378 2.347 3.688 0.008 13 0 "[ . 1 . 2]" 1
90 1 8 LEU H 1 8 LEU HB3 . . 3.680 2.774 2.163 3.668 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU H 1 8 LEU MD1 . . 5.350 3.568 2.089 4.047 . 0 0 "[ . 1 . 2]" 1
92 1 8 LEU H 1 8 LEU MD2 . . 5.350 2.819 1.770 4.076 . 0 0 "[ . 1 . 2]" 1
93 1 104 ALA MB 1 105 ALA H . . 4.110 3.158 2.315 3.679 . 0 0 "[ . 1 . 2]" 1
94 1 97 LEU H 1 97 LEU HB2 . . 3.130 2.361 2.351 2.369 . 0 0 "[ . 1 . 2]" 1
95 1 97 LEU H 1 97 LEU HB3 . . 3.100 2.656 2.648 2.670 . 0 0 "[ . 1 . 2]" 1
96 1 74 LEU MD2 1 97 LEU H . . 3.570 2.578 2.101 2.894 . 0 0 "[ . 1 . 2]" 1
97 1 94 LYS H 1 94 LYS HB2 . . 3.480 2.318 2.215 2.399 . 0 0 "[ . 1 . 2]" 1
98 1 93 LEU HB3 1 94 LYS H . . 3.990 3.301 2.959 3.797 . 0 0 "[ . 1 . 2]" 1
99 1 93 LEU MD2 1 94 LYS H . . 4.000 3.828 3.602 4.011 0.011 17 0 "[ . 1 . 2]" 1
100 1 21 ARG H 1 94 LYS H . . 4.100 2.400 2.249 2.664 . 0 0 "[ . 1 . 2]" 1
101 1 93 LEU HA 1 94 LYS H . . 3.180 2.163 2.138 2.222 . 0 0 "[ . 1 . 2]" 1
102 1 94 LYS H 1 94 LYS HB3 . . 3.860 3.538 3.500 3.594 . 0 0 "[ . 1 . 2]" 1
103 1 94 LYS H 1 94 LYS QG . . 3.990 3.308 2.945 3.820 . 0 0 "[ . 1 . 2]" 1
104 1 28 GLU HB3 1 29 GLU H . . 3.480 2.853 2.173 3.120 . 0 0 "[ . 1 . 2]" 1
105 1 29 GLU H 1 29 GLU QG . . 4.040 3.842 3.781 3.967 . 0 0 "[ . 1 . 2]" 1
106 1 29 GLU H 1 29 GLU HB2 . . 3.070 2.231 2.183 2.413 . 0 0 "[ . 1 . 2]" 1
107 1 29 GLU H 1 29 GLU HB3 . . 3.410 2.941 2.715 3.041 . 0 0 "[ . 1 . 2]" 1
108 1 29 GLU H 1 47 VAL MG1 . . 4.290 2.767 2.517 3.352 . 0 0 "[ . 1 . 2]" 1
109 1 69 ALA H 1 69 ALA MB . . 3.150 2.070 2.025 2.140 . 0 0 "[ . 1 . 2]" 1
110 1 66 THR H 1 69 ALA H . . 4.680 3.996 3.888 4.187 . 0 0 "[ . 1 . 2]" 1
111 1 69 ALA H 1 71 GLN H . . 5.130 4.259 4.015 4.494 . 0 0 "[ . 1 . 2]" 1
112 1 68 GLU QG 1 69 ALA H . . 4.380 4.149 4.002 4.330 . 0 0 "[ . 1 . 2]" 1
113 1 30 GLU H 1 31 ALA H . . 3.570 2.806 2.620 2.927 . 0 0 "[ . 1 . 2]" 1
114 1 30 GLU HB2 1 31 ALA H . . 4.010 3.121 2.149 3.995 . 0 0 "[ . 1 . 2]" 1
115 1 28 GLU HB2 1 31 ALA H . . 3.340 2.539 2.457 2.690 . 0 0 "[ . 1 . 2]" 1
116 1 31 ALA H 1 31 ALA MB . . 3.050 2.175 2.025 2.245 . 0 0 "[ . 1 . 2]" 1
117 1 66 THR HA 1 67 GLN H . . 3.240 2.202 2.156 2.270 . 0 0 "[ . 1 . 2]" 1
118 1 67 GLN H 1 67 GLN HG2 . . 4.520 3.648 2.684 4.091 . 0 0 "[ . 1 . 2]" 1
119 1 67 GLN H 1 67 GLN QB . . 3.490 2.271 2.116 2.417 . 0 0 "[ . 1 . 2]" 1
120 1 69 ALA HA 1 72 LYS H . . 3.880 3.460 3.301 3.616 . 0 0 "[ . 1 . 2]" 1
121 1 71 GLN QB 1 72 LYS H . . 3.070 2.520 2.392 2.642 . 0 0 "[ . 1 . 2]" 1
122 1 72 LYS H 1 72 LYS HB2 . . 2.980 2.371 2.262 2.545 . 0 0 "[ . 1 . 2]" 1
123 1 72 LYS H 1 72 LYS HG3 . . 4.010 2.431 2.101 2.682 . 0 0 "[ . 1 . 2]" 1
124 1 72 LYS H 1 72 LYS HG2 . . 4.010 3.627 3.321 3.812 . 0 0 "[ . 1 . 2]" 1
125 1 66 THR MG 1 67 GLN H . . 4.400 3.759 3.575 4.015 . 0 0 "[ . 1 . 2]" 1
126 1 16 LYS HE3 1 67 GLN H . . 4.590 2.909 2.145 3.774 . 0 0 "[ . 1 . 2]" 1
127 1 22 ASN HD22 1 92 GLN H . . 4.540 3.235 2.702 3.867 . 0 0 "[ . 1 . 2]" 1
128 1 91 ARG HA 1 92 GLN H . . 2.980 2.147 2.140 2.159 . 0 0 "[ . 1 . 2]" 1
129 1 92 GLN H 1 92 GLN HG3 . . 5.250 4.354 2.949 4.584 . 0 0 "[ . 1 . 2]" 1
130 1 92 GLN H 1 92 GLN HB2 . . 3.490 2.230 2.158 2.353 . 0 0 "[ . 1 . 2]" 1
131 1 92 GLN H 1 92 GLN HB3 . . 3.490 2.964 2.769 3.499 0.009 1 0 "[ . 1 . 2]" 1
132 1 71 GLN HA 1 73 CYS H . . 5.240 3.969 3.804 4.149 . 0 0 "[ . 1 . 2]" 1
133 1 72 LYS H 1 73 CYS H . . 3.410 2.634 2.539 2.698 . 0 0 "[ . 1 . 2]" 1
134 1 70 ALA HA 1 73 CYS H . . 4.060 3.528 3.459 3.587 . 0 0 "[ . 1 . 2]" 1
135 1 73 CYS H 1 73 CYS HB3 . . 3.410 2.337 2.253 2.462 . 0 0 "[ . 1 . 2]" 1
136 1 18 VAL H 1 62 ALA H . . 3.760 3.204 3.052 3.428 . 0 0 "[ . 1 . 2]" 1
137 1 61 PHE HA 1 62 ALA H . . 2.980 2.184 2.167 2.219 . 0 0 "[ . 1 . 2]" 1
138 1 19 PHE HA 1 62 ALA H . . 3.960 3.389 3.253 3.489 . 0 0 "[ . 1 . 2]" 1
139 1 61 PHE HB3 1 62 ALA H . . 3.760 3.108 2.948 3.195 . 0 0 "[ . 1 . 2]" 1
140 1 17 THR MG 1 62 ALA H . . 3.990 3.707 3.552 3.874 . 0 0 "[ . 1 . 2]" 1
141 1 62 ALA H 1 62 ALA MB . . 3.170 2.542 2.471 2.633 . 0 0 "[ . 1 . 2]" 1
142 1 20 ILE MD 1 62 ALA H . . 4.080 3.276 3.175 3.386 . 0 0 "[ . 1 . 2]" 1
143 1 73 CYS HA 1 76 ALA H . . 4.260 3.768 3.567 3.925 . 0 0 "[ . 1 . 2]" 1
144 1 76 ALA H 1 76 ALA MB . . 2.770 2.140 2.057 2.237 . 0 0 "[ . 1 . 2]" 1
145 1 75 ALA MB 1 76 ALA H . . 2.930 2.856 2.707 2.930 . 0 0 "[ . 1 . 2]" 1
146 1 63 GLN H 1 63 GLN HB3 . . 3.870 2.950 2.865 3.070 . 0 0 "[ . 1 . 2]" 1
147 1 45 VAL HA 1 63 GLN H . . 4.240 3.730 3.516 3.880 . 0 0 "[ . 1 . 2]" 1
148 1 71 GLN HA 1 75 ALA H . . 4.410 4.192 4.010 4.368 . 0 0 "[ . 1 . 2]" 1
149 1 74 LEU HB3 1 75 ALA H . . 3.250 3.215 3.053 3.262 0.012 15 0 "[ . 1 . 2]" 1
150 1 75 ALA H 1 75 ALA MB . . 2.870 2.149 2.045 2.218 . 0 0 "[ . 1 . 2]" 1
151 1 74 LEU MD1 1 75 ALA H . . 4.550 3.950 3.820 4.150 . 0 0 "[ . 1 . 2]" 1
152 1 74 LEU MD2 1 75 ALA H . . 5.130 4.504 4.406 4.586 . 0 0 "[ . 1 . 2]" 1
153 1 62 ALA HA 1 63 GLN H . . 3.260 2.487 2.432 2.571 . 0 0 "[ . 1 . 2]" 1
154 1 62 ALA MB 1 63 GLN H . . 3.580 2.387 2.197 2.452 . 0 0 "[ . 1 . 2]" 1
155 1 81 ALA HA 1 82 GLU H . . 3.400 2.452 2.143 3.556 0.156 20 0 "[ . 1 . 2]" 1
156 1 82 GLU H 1 82 GLU QG . . 4.630 2.426 1.893 3.842 . 0 0 "[ . 1 . 2]" 1
157 1 82 GLU H 1 82 GLU HB2 . . 3.750 3.023 2.465 3.866 0.116 13 0 "[ . 1 . 2]" 1
158 1 82 GLU H 1 82 GLU HB3 . . 3.750 3.382 2.378 3.784 0.034 11 0 "[ . 1 . 2]" 1
159 1 81 ALA MB 1 82 GLU H . . 4.320 2.605 1.945 3.313 . 0 0 "[ . 1 . 2]" 1
160 1 11 ASP HA 1 12 VAL H . . 3.200 2.344 2.140 2.808 . 0 0 "[ . 1 . 2]" 1
161 1 11 ASP QB 1 12 VAL H . . 4.610 3.203 2.162 4.018 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL H 1 12 VAL HB . . 3.770 2.922 2.453 3.758 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL H 1 12 VAL MG1 . . 3.940 2.762 1.908 3.902 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL H 1 12 VAL MG2 . . 3.940 2.938 1.816 3.930 . 0 0 "[ . 1 . 2]" 1
165 1 90 GLY H 1 91 ARG H . . 3.500 2.465 2.328 2.628 . 0 0 "[ . 1 . 2]" 1
166 1 88 LEU H 1 91 ARG H . . 3.640 2.695 2.388 3.217 . 0 0 "[ . 1 . 2]" 1
167 1 91 ARG H 1 91 ARG HB2 . . 3.120 2.641 2.405 2.874 . 0 0 "[ . 1 . 2]" 1
168 1 91 ARG H 1 91 ARG HG2 . . 4.070 3.392 2.877 3.918 . 0 0 "[ . 1 . 2]" 1
169 1 91 ARG H 1 91 ARG HG3 . . 4.200 3.866 3.385 4.189 . 0 0 "[ . 1 . 2]" 1
170 1 59 CYS HA 1 60 ALA H . . 3.210 2.379 2.226 2.524 . 0 0 "[ . 1 . 2]" 1
171 1 20 ILE HB 1 60 ALA H . . 3.760 2.996 2.865 3.124 . 0 0 "[ . 1 . 2]" 1
172 1 23 LEU MD2 1 60 ALA H . . 4.710 4.478 4.098 4.683 . 0 0 "[ . 1 . 2]" 1
173 1 18 VAL H 1 63 GLN HA . . 3.770 3.594 3.368 3.686 . 0 0 "[ . 1 . 2]" 1
174 1 17 THR HA 1 18 VAL H . . 3.110 2.384 2.298 2.401 . 0 0 "[ . 1 . 2]" 1
175 1 18 VAL H 1 18 VAL MG2 . . 3.300 2.432 2.350 2.482 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL H 1 18 VAL MG1 . . 3.440 2.990 2.938 3.067 . 0 0 "[ . 1 . 2]" 1
177 1 68 GLU H 1 69 ALA H . . 3.790 2.813 2.633 2.969 . 0 0 "[ . 1 . 2]" 1
178 1 68 GLU H 1 68 GLU QG . . 4.210 3.939 3.810 4.038 . 0 0 "[ . 1 . 2]" 1
179 1 68 GLU H 1 68 GLU HB2 . . 3.600 2.180 2.168 2.204 . 0 0 "[ . 1 . 2]" 1
180 1 68 GLU H 1 68 GLU HB3 . . 3.600 2.954 2.903 3.025 . 0 0 "[ . 1 . 2]" 1
181 1 66 THR MG 1 68 GLU H . . 4.740 4.526 4.323 4.752 0.012 8 0 "[ . 1 . 2]" 1
182 1 87 LYS HA 1 88 LEU H . . 3.030 2.185 2.152 2.261 . 0 0 "[ . 1 . 2]" 1
183 1 88 LEU H 1 88 LEU HB3 . . 3.530 2.857 2.703 3.006 . 0 0 "[ . 1 . 2]" 1
184 1 87 LYS QB 1 88 LEU H . . 3.300 3.049 2.752 3.201 . 0 0 "[ . 1 . 2]" 1
185 1 88 LEU H 1 88 LEU HB2 . . 3.890 2.760 2.616 3.022 . 0 0 "[ . 1 . 2]" 1
186 1 88 LEU H 1 93 LEU MD2 . . 4.080 2.725 2.145 2.982 . 0 0 "[ . 1 . 2]" 1
187 1 31 ALA HA 1 34 GLU H . . 3.830 3.598 3.423 3.807 . 0 0 "[ . 1 . 2]" 1
188 1 33 GLY HA3 1 34 GLU H . . 3.370 2.680 2.592 2.771 . 0 0 "[ . 1 . 2]" 1
189 1 34 GLU H 1 34 GLU HG2 . . 4.070 3.156 2.320 3.926 . 0 0 "[ . 1 . 2]" 1
190 1 34 GLU H 1 34 GLU HB2 . . 3.000 2.320 2.205 2.463 . 0 0 "[ . 1 . 2]" 1
191 1 79 LEU HB2 1 80 GLU H . . 4.230 4.048 3.804 4.256 0.026 9 0 "[ . 1 . 2]" 1
192 1 44 TYR QD 1 45 VAL H . . 4.100 3.136 2.749 3.559 . 0 0 "[ . 1 . 2]" 1
193 1 44 TYR HB2 1 45 VAL H . . 3.480 3.208 3.000 3.467 . 0 0 "[ . 1 . 2]" 1
194 1 45 VAL H 1 45 VAL HB . . 3.950 3.302 3.190 3.388 . 0 0 "[ . 1 . 2]" 1
195 1 45 VAL H 1 45 VAL MG1 . . 3.770 1.952 1.872 2.128 . 0 0 "[ . 1 . 2]" 1
196 1 80 GLU H 1 80 GLU HB2 . . 3.780 3.013 2.202 3.664 . 0 0 "[ . 1 . 2]" 1
197 1 80 GLU H 1 80 GLU HB3 . . 3.780 2.710 2.340 3.630 . 0 0 "[ . 1 . 2]" 1
198 1 79 LEU HB3 1 80 GLU H . . 4.420 4.058 3.729 4.422 0.002 16 0 "[ . 1 . 2]" 1
199 1 28 GLU HB3 1 32 LEU H . . 5.500 5.184 4.934 5.349 . 0 0 "[ . 1 . 2]" 1
200 1 30 GLU QG 1 32 LEU H . . 5.500 5.058 4.116 5.526 0.026 9 0 "[ . 1 . 2]" 1
201 1 32 LEU H 1 33 GLY H . . 3.380 3.006 2.670 3.145 . 0 0 "[ . 1 . 2]" 1
202 1 31 ALA H 1 32 LEU H . . 3.270 2.813 2.658 2.905 . 0 0 "[ . 1 . 2]" 1
203 1 32 LEU H 1 32 LEU HB3 . . 3.150 2.658 2.554 2.817 . 0 0 "[ . 1 . 2]" 1
204 1 31 ALA MB 1 32 LEU H . . 3.400 2.368 2.196 2.720 . 0 0 "[ . 1 . 2]" 1
205 1 32 LEU H 1 32 LEU HG . . 4.410 4.402 4.282 4.463 0.053 9 0 "[ . 1 . 2]" 1
206 1 32 LEU H 1 32 LEU HB2 . . 3.260 2.394 2.280 2.481 . 0 0 "[ . 1 . 2]" 1
207 1 32 LEU H 1 88 LEU MD2 . . 4.030 3.834 3.359 4.032 0.002 9 0 "[ . 1 . 2]" 1
208 1 32 LEU H 1 32 LEU MD1 . . 4.420 4.210 4.161 4.249 . 0 0 "[ . 1 . 2]" 1
209 1 28 GLU HB3 1 30 GLU H . . 3.550 2.996 2.874 3.097 . 0 0 "[ . 1 . 2]" 1
210 1 30 GLU H 1 30 GLU QG . . 3.870 2.826 1.833 3.942 0.072 4 0 "[ . 1 . 2]" 1
211 1 30 GLU H 1 30 GLU HB2 . . 3.440 2.915 2.175 3.587 0.147 6 0 "[ . 1 . 2]" 1
212 1 29 GLU HB3 1 30 GLU H . . 3.110 2.654 2.438 2.842 . 0 0 "[ . 1 . 2]" 1
213 1 30 GLU H 1 30 GLU HB3 . . 3.440 2.861 2.260 3.524 0.084 10 0 "[ . 1 . 2]" 1
214 1 98 ALA HA 1 99 VAL H . . 3.170 2.585 2.277 2.650 . 0 0 "[ . 1 . 2]" 1
215 1 98 ALA H 1 99 VAL H . . 4.630 4.514 4.479 4.612 . 0 0 "[ . 1 . 2]" 1
216 1 64 PHE QD 1 70 ALA H . . 4.550 3.525 3.215 3.788 . 0 0 "[ . 1 . 2]" 1
217 1 69 ALA MB 1 70 ALA H . . 3.450 2.160 2.012 2.483 . 0 0 "[ . 1 . 2]" 1
218 1 70 ALA H 1 71 GLN H . . 3.310 2.945 2.795 3.052 . 0 0 "[ . 1 . 2]" 1
219 1 69 ALA H 1 70 ALA H . . 3.400 2.991 2.652 3.131 . 0 0 "[ . 1 . 2]" 1
220 1 70 ALA H 1 70 ALA MB . . 3.040 2.107 2.049 2.196 . 0 0 "[ . 1 . 2]" 1
221 1 67 GLN HA 1 70 ALA H . . 4.170 3.712 3.447 3.883 . 0 0 "[ . 1 . 2]" 1
222 1 64 PHE HB3 1 70 ALA H . . 4.620 3.199 2.883 3.353 . 0 0 "[ . 1 . 2]" 1
223 1 64 PHE HB2 1 70 ALA H . . 4.480 2.996 2.855 3.141 . 0 0 "[ . 1 . 2]" 1
224 1 67 GLN QB 1 70 ALA H . . 5.500 5.173 4.862 5.333 . 0 0 "[ . 1 . 2]" 1
225 1 70 ALA H 1 71 GLN QB . . 5.500 4.995 4.883 5.073 . 0 0 "[ . 1 . 2]" 1
226 1 36 LEU H 1 37 GLN H . . 3.390 2.416 2.144 2.648 . 0 0 "[ . 1 . 2]" 1
227 1 33 GLY HA3 1 36 LEU H . . 4.820 4.477 4.333 4.663 . 0 0 "[ . 1 . 2]" 1
228 1 34 GLU HA 1 36 LEU H . . 5.240 4.568 4.136 5.008 . 0 0 "[ . 1 . 2]" 1
229 1 33 GLY HA2 1 36 LEU H . . 4.410 3.202 3.071 3.301 . 0 0 "[ . 1 . 2]" 1
230 1 35 VAL HB 1 36 LEU H . . 3.460 2.590 2.275 2.939 . 0 0 "[ . 1 . 2]" 1
231 1 36 LEU H 1 36 LEU HG . . 2.870 2.210 2.033 2.504 . 0 0 "[ . 1 . 2]" 1
232 1 36 LEU H 1 36 LEU HB2 . . 2.920 2.582 2.477 2.631 . 0 0 "[ . 1 . 2]" 1
233 1 36 LEU H 1 36 LEU HB3 . . 3.670 3.618 3.582 3.672 0.002 12 0 "[ . 1 . 2]" 1
234 1 35 VAL MG2 1 36 LEU H . . 4.280 3.858 3.670 4.025 . 0 0 "[ . 1 . 2]" 1
235 1 35 VAL MG1 1 36 LEU H . . 3.800 3.389 3.007 3.722 . 0 0 "[ . 1 . 2]" 1
236 1 36 LEU H 1 36 LEU MD2 . . 3.800 3.284 3.032 3.544 . 0 0 "[ . 1 . 2]" 1
237 1 32 LEU MD2 1 36 LEU H . . 4.150 3.651 3.543 3.824 . 0 0 "[ . 1 . 2]" 1
238 1 36 LEU H 1 36 LEU MD1 . . 3.800 3.595 3.469 3.795 . 0 0 "[ . 1 . 2]" 1
239 1 37 GLN HA 1 39 PHE H . . 4.420 4.069 3.721 4.387 . 0 0 "[ . 1 . 2]" 1
240 1 39 PHE H 1 39 PHE HB3 . . 3.980 3.606 3.587 3.664 . 0 0 "[ . 1 . 2]" 1
241 1 39 PHE H 1 39 PHE HB2 . . 3.580 2.528 2.428 2.641 . 0 0 "[ . 1 . 2]" 1
242 1 38 GLN HG2 1 39 PHE H . . 4.210 2.161 1.941 2.441 . 0 0 "[ . 1 . 2]" 1
243 1 38 GLN HB2 1 39 PHE H . . 4.410 3.856 3.592 4.085 . 0 0 "[ . 1 . 2]" 1
244 1 38 GLN HB3 1 39 PHE H . . 4.690 3.736 3.598 3.834 . 0 0 "[ . 1 . 2]" 1
245 1 38 GLN HG3 1 39 PHE H . . 4.210 2.459 2.066 2.926 . 0 0 "[ . 1 . 2]" 1
246 1 35 VAL H 1 36 LEU H . . 3.170 2.449 2.265 2.647 . 0 0 "[ . 1 . 2]" 1
247 1 34 GLU H 1 35 VAL H . . 3.260 2.773 2.672 2.877 . 0 0 "[ . 1 . 2]" 1
248 1 34 GLU HA 1 35 VAL H . . 3.510 3.428 3.383 3.462 . 0 0 "[ . 1 . 2]" 1
249 1 35 VAL H 1 35 VAL HB . . 3.040 2.470 2.327 2.589 . 0 0 "[ . 1 . 2]" 1
250 1 34 GLU HB3 1 35 VAL H . . 3.910 3.790 3.645 3.903 . 0 0 "[ . 1 . 2]" 1
251 1 35 VAL H 1 36 LEU HB2 . . 4.870 4.764 4.603 4.859 . 0 0 "[ . 1 . 2]" 1
252 1 35 VAL H 1 35 VAL MG2 . . 3.200 2.469 2.234 2.729 . 0 0 "[ . 1 . 2]" 1
253 1 35 VAL H 1 35 VAL MG1 . . 3.840 3.765 3.701 3.789 . 0 0 "[ . 1 . 2]" 1
254 1 35 VAL H 1 88 LEU MD1 . . 4.930 4.805 4.526 4.936 0.006 11 0 "[ . 1 . 2]" 1
255 1 32 LEU MD2 1 35 VAL H . . 4.590 4.182 4.011 4.290 . 0 0 "[ . 1 . 2]" 1
256 1 99 VAL HA 1 100 THR H . . 3.390 2.200 2.140 2.638 . 0 0 "[ . 1 . 2]" 1
257 1 100 THR H 1 100 THR HB . . 4.120 2.812 2.533 3.697 . 0 0 "[ . 1 . 2]" 1
258 1 73 CYS H 1 74 LEU H . . 3.420 2.448 2.293 2.586 . 0 0 "[ . 1 . 2]" 1
259 1 74 LEU H 1 74 LEU HB2 . . 2.890 2.557 2.425 2.695 . 0 0 "[ . 1 . 2]" 1
260 1 74 LEU H 1 74 LEU HG . . 2.800 2.146 1.933 2.367 . 0 0 "[ . 1 . 2]" 1
261 1 74 LEU H 1 74 LEU HB3 . . 3.740 3.589 3.573 3.609 . 0 0 "[ . 1 . 2]" 1
262 1 74 LEU H 1 74 LEU MD1 . . 3.900 3.525 3.401 3.606 . 0 0 "[ . 1 . 2]" 1
263 1 74 LEU H 1 74 LEU MD2 . . 4.100 3.277 2.970 3.578 . 0 0 "[ . 1 . 2]" 1
264 1 35 VAL H 1 37 GLN H . . 4.510 3.629 3.457 3.824 . 0 0 "[ . 1 . 2]" 1
265 1 34 GLU HA 1 37 GLN H . . 3.840 3.555 3.388 3.765 . 0 0 "[ . 1 . 2]" 1
266 1 37 GLN H 1 37 GLN HG3 . . 3.940 2.671 2.376 3.145 . 0 0 "[ . 1 . 2]" 1
267 1 37 GLN H 1 37 GLN HB3 . . 3.700 3.493 2.356 3.595 . 0 0 "[ . 1 . 2]" 1
268 1 36 LEU HB3 1 37 GLN H . . 4.510 4.031 3.792 4.338 . 0 0 "[ . 1 . 2]" 1
269 1 37 GLN H 1 37 GLN HG2 . . 3.940 3.422 3.046 3.861 . 0 0 "[ . 1 . 2]" 1
270 1 37 GLN H 1 37 GLN HB2 . . 3.700 2.391 2.188 3.569 . 0 0 "[ . 1 . 2]" 1
271 1 36 LEU HB2 1 37 GLN H . . 3.800 2.978 2.627 3.511 . 0 0 "[ . 1 . 2]" 1
272 1 37 GLN H 1 42 LEU MD1 . . 4.340 2.229 1.877 2.777 . 0 0 "[ . 1 . 2]" 1
273 1 26 ASP H 1 27 SER H . . 3.300 2.520 2.189 2.770 . 0 0 "[ . 1 . 2]" 1
274 1 25 PHE HA 1 27 SER H . . 4.320 4.142 3.826 4.288 . 0 0 "[ . 1 . 2]" 1
275 1 24 SER HA 1 27 SER H . . 4.960 4.429 4.333 4.538 . 0 0 "[ . 1 . 2]" 1
276 1 24 SER HB3 1 27 SER H . . 4.470 2.891 2.316 4.279 . 0 0 "[ . 1 . 2]" 1
277 1 17 THR H 1 17 THR HB . . 3.300 2.760 2.744 2.790 . 0 0 "[ . 1 . 2]" 1
278 1 16 LYS HB3 1 17 THR H . . 4.510 3.558 3.544 3.571 . 0 0 "[ . 1 . 2]" 1
279 1 17 THR H 1 17 THR MG . . 4.110 3.859 3.836 3.895 . 0 0 "[ . 1 . 2]" 1
280 1 17 THR H 1 97 LEU MD2 . . 4.220 2.100 1.919 2.196 . 0 0 "[ . 1 . 2]" 1
281 1 27 SER H 1 27 SER QB . . 3.070 2.302 2.202 2.577 . 0 0 "[ . 1 . 2]" 1
282 1 26 ASP HB3 1 27 SER H . . 5.020 3.449 2.689 4.189 . 0 0 "[ . 1 . 2]" 1
283 1 77 ALA H 1 77 ALA MB . . 2.900 2.154 2.057 2.285 . 0 0 "[ . 1 . 2]" 1
284 1 47 VAL HA 1 61 PHE H . . 3.840 2.950 2.770 3.107 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU HA 1 24 SER H . . 2.950 2.307 2.224 2.424 . 0 0 "[ . 1 . 2]" 1
286 1 24 SER H 1 88 LEU HB3 . . 4.110 3.971 3.713 4.116 0.006 18 0 "[ . 1 . 2]" 1
287 1 23 LEU HB3 1 24 SER H . . 3.880 2.685 2.373 2.922 . 0 0 "[ . 1 . 2]" 1
288 1 20 ILE MD 1 61 PHE H . . 4.330 3.989 3.756 4.196 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU HB2 1 24 SER H . . 4.080 3.943 3.660 4.094 0.014 14 0 "[ . 1 . 2]" 1
290 1 46 ARG H 1 61 PHE H . . 3.880 3.834 3.734 3.890 0.010 12 0 "[ . 1 . 2]" 1
291 1 61 PHE H 1 61 PHE QD . . 3.950 2.504 2.084 2.635 . 0 0 "[ . 1 . 2]" 1
292 1 61 PHE H 1 61 PHE HB2 . . 3.710 2.687 2.624 2.779 . 0 0 "[ . 1 . 2]" 1
293 1 46 ARG HB3 1 61 PHE H . . 4.590 3.924 3.660 4.146 . 0 0 "[ . 1 . 2]" 1
294 1 37 GLN H 1 38 GLN H . . 3.570 2.686 2.418 2.896 . 0 0 "[ . 1 . 2]" 1
295 1 38 GLN H 1 39 PHE H . . 3.380 2.852 2.591 2.987 . 0 0 "[ . 1 . 2]" 1
296 1 36 LEU HA 1 38 GLN H . . 4.290 3.846 3.399 4.177 . 0 0 "[ . 1 . 2]" 1
297 1 37 GLN HB2 1 38 GLN H . . 4.360 2.977 2.642 4.189 . 0 0 "[ . 1 . 2]" 1
298 1 37 GLN HB3 1 38 GLN H . . 4.360 3.651 3.344 4.087 . 0 0 "[ . 1 . 2]" 1
299 1 38 GLN H 1 38 GLN HG2 . . 3.880 2.608 2.357 2.777 . 0 0 "[ . 1 . 2]" 1
300 1 38 GLN H 1 38 GLN HB3 . . 3.060 2.307 2.239 2.427 . 0 0 "[ . 1 . 2]" 1
301 1 64 PHE QD 1 65 MET H . . 4.300 2.831 2.668 3.010 . 0 0 "[ . 1 . 2]" 1
302 1 42 LEU HA 1 65 MET H . . 4.180 3.833 3.599 4.179 . 0 0 "[ . 1 . 2]" 1
303 1 64 PHE HB3 1 65 MET H . . 3.740 2.337 2.271 2.523 . 0 0 "[ . 1 . 2]" 1
304 1 64 PHE HB2 1 65 MET H . . 4.160 3.766 3.709 3.897 . 0 0 "[ . 1 . 2]" 1
305 1 22 ASN H 1 23 LEU H . . 3.700 2.691 2.560 3.156 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU H 1 23 LEU HB2 . . 3.500 2.284 2.196 2.360 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU H 1 23 LEU MD1 . . 4.340 3.684 3.502 4.012 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU H 1 23 LEU MD2 . . 4.170 3.852 3.442 3.981 . 0 0 "[ . 1 . 2]" 1
309 1 68 GLU HA 1 71 GLN H . . 3.780 3.687 3.542 3.782 0.002 16 0 "[ . 1 . 2]" 1
310 1 71 GLN H 1 71 GLN HG2 . . 3.300 2.273 2.216 2.295 . 0 0 "[ . 1 . 2]" 1
311 1 71 GLN H 1 71 GLN QB . . 3.020 2.528 2.511 2.552 . 0 0 "[ . 1 . 2]" 1
312 1 70 ALA MB 1 71 GLN H . . 3.470 2.585 2.437 2.793 . 0 0 "[ . 1 . 2]" 1
313 1 25 PHE H 1 26 ASP H . . 4.390 2.781 2.575 3.002 . 0 0 "[ . 1 . 2]" 1
314 1 24 SER HA 1 26 ASP H . . 4.520 3.959 3.684 4.187 . 0 0 "[ . 1 . 2]" 1
315 1 24 SER HB2 1 26 ASP H . . 4.900 4.074 2.698 4.767 . 0 0 "[ . 1 . 2]" 1
316 1 25 PHE HB3 1 26 ASP H . . 4.820 3.634 2.791 4.081 . 0 0 "[ . 1 . 2]" 1
317 1 40 GLY H 1 41 ASP H . . 4.610 4.346 4.155 4.414 . 0 0 "[ . 1 . 2]" 1
318 1 41 ASP H 1 69 ALA MB . . 4.410 4.303 3.960 4.465 0.055 10 0 "[ . 1 . 2]" 1
319 1 40 GLY HA2 1 41 ASP H . . 3.330 2.412 2.196 2.727 . 0 0 "[ . 1 . 2]" 1
320 1 40 GLY HA3 1 41 ASP H . . 3.330 2.738 2.409 3.040 . 0 0 "[ . 1 . 2]" 1
321 1 41 ASP H 1 41 ASP HB3 . . 3.730 3.586 3.567 3.620 . 0 0 "[ . 1 . 2]" 1
322 1 41 ASP H 1 41 ASP HB2 . . 3.340 2.577 2.310 2.770 . 0 0 "[ . 1 . 2]" 1
323 1 15 GLY H 1 16 LYS H . . 3.910 2.868 2.049 3.305 . 0 0 "[ . 1 . 2]" 1
324 1 16 LYS H 1 16 LYS HB3 . . 3.930 3.811 3.780 3.854 . 0 0 "[ . 1 . 2]" 1
325 1 16 LYS H 1 16 LYS HG2 . . 3.770 3.761 3.599 3.815 0.045 5 0 "[ . 1 . 2]" 1
326 1 16 LYS H 1 16 LYS HG3 . . 4.080 2.299 2.172 2.359 . 0 0 "[ . 1 . 2]" 1
327 1 14 GLU HA 1 16 LYS H . . 4.010 3.694 3.528 3.825 . 0 0 "[ . 1 . 2]" 1
328 1 16 LYS H 1 16 LYS HB2 . . 3.930 2.927 2.880 2.997 . 0 0 "[ . 1 . 2]" 1
329 1 78 SER H 1 79 LEU H . . 4.460 4.312 4.132 4.495 0.035 19 0 "[ . 1 . 2]" 1
330 1 77 ALA HA 1 78 SER H . . 3.530 3.464 3.167 3.528 . 0 0 "[ . 1 . 2]" 1
331 1 78 SER H 1 78 SER HB3 . . 3.080 2.768 2.198 2.894 . 0 0 "[ . 1 . 2]" 1
332 1 77 ALA MB 1 78 SER H . . 3.430 2.866 2.613 3.423 . 0 0 "[ . 1 . 2]" 1
333 1 78 SER H 1 78 SER HB2 . . 3.080 2.460 2.238 2.960 . 0 0 "[ . 1 . 2]" 1
334 1 85 GLY HA3 1 92 GLN HE21 . . 4.190 3.161 2.318 3.924 . 0 0 "[ . 1 . 2]" 1
335 1 86 LEU H 1 92 GLN HE22 . . 5.010 3.546 2.305 4.876 . 0 0 "[ . 1 . 2]" 1
336 1 85 GLY HA3 1 92 GLN HE22 . . 4.190 3.602 1.939 4.188 . 0 0 "[ . 1 . 2]" 1
337 1 38 GLN HB3 1 38 GLN HE21 . . 4.570 2.093 1.934 2.786 . 0 0 "[ . 1 . 2]" 1
338 1 22 ASN HB3 1 22 ASN HD22 . . 4.030 3.444 3.435 3.484 . 0 0 "[ . 1 . 2]" 1
339 1 52 ASP H 1 53 THR H . . 4.330 2.441 2.044 2.900 . 0 0 "[ . 1 . 2]" 1
340 1 53 THR H 1 54 GLU H . . 4.770 4.464 4.365 4.564 . 0 0 "[ . 1 . 2]" 1
341 1 52 ASP QB 1 53 THR H . . 4.430 2.434 2.136 3.748 . 0 0 "[ . 1 . 2]" 1
342 1 43 LYS H 1 44 TYR H . . 3.170 2.693 2.393 2.941 . 0 0 "[ . 1 . 2]" 1
343 1 44 TYR H 1 63 GLN H . . 3.680 2.903 2.794 3.048 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU HA 1 44 TYR H . . 4.370 4.063 3.834 4.364 . 0 0 "[ . 1 . 2]" 1
345 1 43 LYS HB2 1 44 TYR H . . 4.020 3.890 3.766 3.988 . 0 0 "[ . 1 . 2]" 1
346 1 43 LYS HB3 1 44 TYR H . . 3.160 2.518 2.312 2.696 . 0 0 "[ . 1 . 2]" 1
347 1 44 TYR H 1 63 GLN HB3 . . 4.080 2.592 2.420 2.802 . 0 0 "[ . 1 . 2]" 1
348 1 42 LEU HB3 1 44 TYR H . . 3.910 3.415 3.130 3.845 . 0 0 "[ . 1 . 2]" 1
349 1 14 GLU HA 1 15 GLY H . . 3.490 2.423 2.194 2.762 . 0 0 "[ . 1 . 2]" 1
350 1 79 LEU HA 1 85 GLY H . . 4.000 2.917 1.916 3.895 . 0 0 "[ . 1 . 2]" 1
351 1 85 GLY H 1 86 LEU H . . 4.650 4.446 3.758 4.645 . 0 0 "[ . 1 . 2]" 1
352 1 65 MET HB2 1 66 THR H . . 4.280 3.199 2.957 3.561 . 0 0 "[ . 1 . 2]" 1
353 1 65 MET H 1 66 THR H . . 3.570 2.261 2.173 2.366 . 0 0 "[ . 1 . 2]" 1
354 1 64 PHE HB3 1 66 THR H . . 3.540 2.263 2.084 2.466 . 0 0 "[ . 1 . 2]" 1
355 1 66 THR H 1 66 THR MG . . 3.420 3.165 2.835 3.322 . 0 0 "[ . 1 . 2]" 1
356 1 66 THR H 1 69 ALA MB . . 3.420 2.603 2.429 2.799 . 0 0 "[ . 1 . 2]" 1
357 1 16 LYS HE2 1 66 THR H . . 4.810 4.125 3.887 4.316 . 0 0 "[ . 1 . 2]" 1
358 1 65 MET HB3 1 66 THR H . . 4.280 3.792 3.469 4.057 . 0 0 "[ . 1 . 2]" 1
359 1 33 GLY H 1 34 GLU H . . 3.560 2.830 2.743 2.904 . 0 0 "[ . 1 . 2]" 1
360 1 29 GLU HA 1 33 GLY H . . 4.110 3.872 3.581 4.082 . 0 0 "[ . 1 . 2]" 1
361 1 32 LEU HB3 1 33 GLY H . . 3.780 2.292 2.170 2.388 . 0 0 "[ . 1 . 2]" 1
362 1 32 LEU HB2 1 33 GLY H . . 4.350 3.689 3.566 3.738 . 0 0 "[ . 1 . 2]" 1
363 1 32 LEU MD2 1 33 GLY H . . 4.040 2.711 2.455 2.962 . 0 0 "[ . 1 . 2]" 1
364 1 37 GLN HA 1 40 GLY H . . 3.900 3.208 2.960 3.774 . 0 0 "[ . 1 . 2]" 1
365 1 39 PHE HB3 1 40 GLY H . . 4.820 3.626 3.355 4.478 . 0 0 "[ . 1 . 2]" 1
366 1 39 PHE HB2 1 40 GLY H . . 4.230 2.535 2.188 3.978 . 0 0 "[ . 1 . 2]" 1
367 1 49 LEU HB2 1 50 HIS H . . 4.610 3.592 3.374 3.920 . 0 0 "[ . 1 . 2]" 1
368 1 49 LEU HB3 1 50 HIS H . . 4.610 2.499 2.390 2.981 . 0 0 "[ . 1 . 2]" 1
369 1 23 LEU MD1 1 60 ALA H . . 4.540 2.378 2.153 2.531 . 0 0 "[ . 1 . 2]" 1
370 1 20 ILE H 1 60 ALA H . . 3.680 3.032 2.905 3.282 . 0 0 "[ . 1 . 2]" 1
371 1 67 GLN H 1 68 GLU H . . 3.850 2.911 2.725 3.070 . 0 0 "[ . 1 . 2]" 1
372 1 44 TYR QE 1 61 PHE H . . 5.480 4.976 4.640 5.229 . 0 0 "[ . 1 . 2]" 1
373 1 61 PHE QD 1 62 ALA H . . 4.360 4.289 4.058 4.366 0.006 14 0 "[ . 1 . 2]" 1
374 1 20 ILE H 1 62 ALA H . . 4.620 4.565 4.441 4.634 0.014 2 0 "[ . 1 . 2]" 1
375 1 63 GLN HB3 1 64 PHE H . . 4.790 3.866 3.495 4.163 . 0 0 "[ . 1 . 2]" 1
376 1 16 LYS HA 1 64 PHE H . . 5.500 4.959 4.826 5.110 . 0 0 "[ . 1 . 2]" 1
377 1 64 PHE H 1 65 MET HA . . 5.500 5.255 5.120 5.468 . 0 0 "[ . 1 . 2]" 1
378 1 65 MET H 1 69 ALA MB . . 4.350 3.351 3.208 3.559 . 0 0 "[ . 1 . 2]" 1
379 1 65 MET H 1 66 THR MG . . 4.650 4.395 3.954 4.604 . 0 0 "[ . 1 . 2]" 1
380 1 64 PHE H 1 65 MET H . . 4.730 4.533 4.491 4.601 . 0 0 "[ . 1 . 2]" 1
381 1 43 LYS H 1 65 MET H . . 4.700 4.024 3.654 4.478 . 0 0 "[ . 1 . 2]" 1
382 1 18 VAL MG1 1 70 ALA H . . 4.990 4.231 4.061 4.370 . 0 0 "[ . 1 . 2]" 1
383 1 68 GLU H 1 70 ALA H . . 5.060 4.836 4.574 4.967 . 0 0 "[ . 1 . 2]" 1
384 1 16 LYS HA 1 70 ALA H . . 5.500 5.528 5.517 5.545 0.045 8 0 "[ . 1 . 2]" 1
385 1 70 ALA H 1 71 GLN HG2 . . 5.170 4.649 4.447 4.831 . 0 0 "[ . 1 . 2]" 1
386 1 71 GLN H 1 74 LEU MD1 . . 4.940 4.244 3.863 4.399 . 0 0 "[ . 1 . 2]" 1
387 1 73 CYS HA 1 75 ALA H . . 5.380 5.142 4.950 5.285 . 0 0 "[ . 1 . 2]" 1
388 1 75 ALA H 1 76 ALA H . . 3.130 2.848 2.774 2.918 . 0 0 "[ . 1 . 2]" 1
389 1 74 LEU H 1 77 ALA H . . 4.510 4.445 4.352 4.522 0.012 19 0 "[ . 1 . 2]" 1
390 1 77 ALA H 1 78 SER H . . 3.140 2.492 2.367 2.638 . 0 0 "[ . 1 . 2]" 1
391 1 77 ALA MB 1 79 LEU H . . 5.500 5.091 4.863 5.425 . 0 0 "[ . 1 . 2]" 1
392 1 79 LEU H 1 81 ALA MB . . 5.500 5.121 4.640 5.407 . 0 0 "[ . 1 . 2]" 1
393 1 79 LEU H 1 79 LEU MD1 . . 4.220 3.274 1.742 4.113 . 0 0 "[ . 1 . 2]" 1
394 1 87 LYS H 1 93 LEU MD1 . . 5.080 3.642 3.316 4.160 . 0 0 "[ . 1 . 2]" 1
395 1 86 LEU H 1 87 LYS H . . 4.620 4.573 4.546 4.592 . 0 0 "[ . 1 . 2]" 1
396 1 88 LEU H 1 93 LEU H . . 4.810 4.171 3.780 4.723 . 0 0 "[ . 1 . 2]" 1
397 1 88 LEU H 1 92 GLN H . . 5.350 4.977 4.739 5.267 . 0 0 "[ . 1 . 2]" 1
398 1 87 LYS QD 1 90 GLY H . . 4.660 4.284 3.739 4.660 . 8 0 "[ . 1 . 2]" 1
399 1 89 ASP H 1 90 GLY H . . 4.510 2.591 2.464 2.800 . 0 0 "[ . 1 . 2]" 1
400 1 88 LEU H 1 90 GLY H . . 5.500 4.023 3.668 4.647 . 0 0 "[ . 1 . 2]" 1
401 1 87 LYS HA 1 91 ARG H . . 4.820 3.868 3.452 4.243 . 0 0 "[ . 1 . 2]" 1
402 1 91 ARG HG3 1 92 GLN H . . 5.500 5.457 5.322 5.520 0.020 7 0 "[ . 1 . 2]" 1
403 1 91 ARG HG2 1 92 GLN H . . 4.880 4.607 4.293 4.868 . 0 0 "[ . 1 . 2]" 1
404 1 20 ILE MG 1 93 LEU H . . 5.500 4.965 4.760 5.231 . 0 0 "[ . 1 . 2]" 1
405 1 93 LEU H 1 94 LYS H . . 5.500 4.449 4.195 4.563 . 0 0 "[ . 1 . 2]" 1
406 1 94 LYS H 1 95 VAL H . . 5.120 4.166 4.095 4.282 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASN HD21 1 94 LYS H . . 5.320 5.115 4.881 5.327 0.007 14 0 "[ . 1 . 2]" 1
408 1 95 VAL HB 1 96 ASP H . . 4.990 4.126 4.052 4.225 . 0 0 "[ . 1 . 2]" 1
409 1 18 VAL HA 1 96 ASP H . . 4.400 3.863 3.799 3.963 . 0 0 "[ . 1 . 2]" 1
410 1 96 ASP H 1 97 LEU H . . 4.540 4.357 4.326 4.380 . 0 0 "[ . 1 . 2]" 1
411 1 97 LEU H 1 98 ALA H . . 4.990 4.283 4.278 4.320 . 0 0 "[ . 1 . 2]" 1
412 1 103 GLU H 1 103 GLU HG2 . . 5.190 3.487 1.910 4.774 . 0 0 "[ . 1 . 2]" 1
413 1 103 GLU H 1 103 GLU HG3 . . 5.190 3.866 2.551 4.562 . 0 0 "[ . 1 . 2]" 1
414 1 102 ASP HB3 1 103 GLU H . . 4.760 4.025 3.102 4.569 . 0 0 "[ . 1 . 2]" 1
415 1 102 ASP HB2 1 103 GLU H . . 4.760 4.099 2.740 4.577 . 0 0 "[ . 1 . 2]" 1
416 1 103 GLU HB2 1 104 ALA H . . 5.090 4.327 2.454 4.626 . 0 0 "[ . 1 . 2]" 1
417 1 103 GLU HB3 1 104 ALA H . . 5.090 4.309 3.517 4.631 . 0 0 "[ . 1 . 2]" 1
418 1 44 TYR H 1 45 VAL H . . 4.800 4.196 4.059 4.286 . 0 0 "[ . 1 . 2]" 1
419 1 45 VAL H 1 46 ARG H . . 5.080 4.156 4.022 4.276 . 0 0 "[ . 1 . 2]" 1
420 1 44 TYR H 1 45 VAL MG1 . . 5.380 4.779 4.641 4.941 . 0 0 "[ . 1 . 2]" 1
421 1 43 LYS H 1 63 GLN HB3 . . 5.500 3.535 3.268 3.820 . 0 0 "[ . 1 . 2]" 1
422 1 40 GLY H 1 69 ALA MB . . 4.780 3.835 3.577 4.664 . 0 0 "[ . 1 . 2]" 1
423 1 38 GLN H 1 40 GLY H . . 4.910 4.371 3.871 4.693 . 0 0 "[ . 1 . 2]" 1
424 1 39 PHE H 1 40 GLY H . . 3.030 2.619 2.427 2.896 . 0 0 "[ . 1 . 2]" 1
425 1 39 PHE H 1 39 PHE QD . . 3.110 2.260 2.077 2.520 . 0 0 "[ . 1 . 2]" 1
426 1 31 ALA H 1 33 GLY H . . 4.580 4.451 4.308 4.584 0.004 4 0 "[ . 1 . 2]" 1
427 1 31 ALA MB 1 33 GLY H . . 5.500 4.628 4.531 4.830 . 0 0 "[ . 1 . 2]" 1
428 1 32 LEU HG 1 33 GLY H . . 5.100 4.578 4.445 4.686 . 0 0 "[ . 1 . 2]" 1
429 1 30 GLU H 1 31 ALA MB . . 5.070 4.399 4.310 4.504 . 0 0 "[ . 1 . 2]" 1
430 1 28 GLU HA 1 30 GLU H . . 5.020 4.176 3.972 4.441 . 0 0 "[ . 1 . 2]" 1
431 1 30 GLU H 1 32 LEU H . . 4.910 4.248 3.776 4.435 . 0 0 "[ . 1 . 2]" 1
432 1 28 GLU H 1 31 ALA H . . 5.070 3.718 3.456 3.999 . 0 0 "[ . 1 . 2]" 1
433 1 23 LEU HB3 1 27 SER H . . 5.350 5.072 4.674 5.328 . 0 0 "[ . 1 . 2]" 1
434 1 24 SER H 1 27 SER H . . 4.590 3.889 3.668 4.128 . 0 0 "[ . 1 . 2]" 1
435 1 27 SER H 1 28 GLU H . . 4.710 4.638 4.607 4.649 . 0 0 "[ . 1 . 2]" 1
436 1 25 PHE HB2 1 26 ASP H . . 4.820 2.991 2.502 3.727 . 0 0 "[ . 1 . 2]" 1
437 1 26 ASP H 1 27 SER QB . . 4.680 4.380 3.974 4.637 . 0 0 "[ . 1 . 2]" 1
438 1 24 SER HB3 1 26 ASP H . . 4.900 3.331 2.665 4.787 . 0 0 "[ . 1 . 2]" 1
439 1 48 VAL H 1 61 PHE H . . 3.950 3.745 3.482 3.891 . 0 0 "[ . 1 . 2]" 1
440 1 21 ARG HB3 1 23 LEU H . . 5.390 5.187 4.862 5.378 . 0 0 "[ . 1 . 2]" 1
441 1 23 LEU H 1 58 GLY HA3 . . 4.810 3.518 2.669 4.262 . 0 0 "[ . 1 . 2]" 1
442 1 23 LEU H 1 59 CYS HA . . 5.010 3.485 3.221 3.823 . 0 0 "[ . 1 . 2]" 1
443 1 23 LEU H 1 24 SER H . . 4.830 4.603 4.573 4.623 . 0 0 "[ . 1 . 2]" 1
444 1 22 ASN H 1 59 CYS HA . . 5.500 4.032 3.781 4.743 . 0 0 "[ . 1 . 2]" 1
445 1 20 ILE H 1 20 ILE HG12 . . 4.040 3.904 3.820 4.038 . 0 0 "[ . 1 . 2]" 1
446 1 19 PHE HB3 1 20 ILE H . . 4.760 4.266 4.163 4.337 . 0 0 "[ . 1 . 2]" 1
447 1 19 PHE HB2 1 20 ILE H . . 4.760 4.241 4.138 4.333 . 0 0 "[ . 1 . 2]" 1
448 1 19 PHE H 1 20 ILE H . . 4.830 4.358 4.270 4.418 . 0 0 "[ . 1 . 2]" 1
449 1 19 PHE H 1 19 PHE QD . . 5.140 4.255 3.977 4.299 . 0 0 "[ . 1 . 2]" 1
450 1 18 VAL H 1 19 PHE H . . 4.770 4.015 3.980 4.132 . 0 0 "[ . 1 . 2]" 1
451 1 15 GLY H 1 16 LYS HG3 . . 5.180 2.632 2.281 3.174 . 0 0 "[ . 1 . 2]" 1
452 1 48 VAL HB 1 49 LEU H . . 5.040 4.142 3.946 4.352 . 0 0 "[ . 1 . 2]" 1
453 1 49 LEU H 1 50 HIS H . . 4.980 4.496 4.436 4.550 . 0 0 "[ . 1 . 2]" 1
454 1 48 VAL H 1 49 LEU H . . 4.690 4.557 4.451 4.628 . 0 0 "[ . 1 . 2]" 1
455 1 22 ASN HD21 1 92 GLN H . . 4.380 2.954 2.347 3.788 . 0 0 "[ . 1 . 2]" 1
456 1 28 GLU HB2 1 32 LEU H . . 4.340 4.117 3.830 4.344 0.004 9 0 "[ . 1 . 2]" 1
457 1 33 GLY HA2 1 37 GLN H . . 5.280 3.984 3.818 4.305 . 0 0 "[ . 1 . 2]" 1
458 1 18 VAL MG1 1 71 GLN HE21 . . 4.590 4.535 4.432 4.592 0.002 3 0 "[ . 1 . 2]" 1
459 1 18 VAL MG1 1 71 GLN HE22 . . 4.590 4.531 4.468 4.599 0.009 10 0 "[ . 1 . 2]" 1
460 1 22 ASN HD21 1 93 LEU HA . . 5.500 4.126 3.706 4.576 . 0 0 "[ . 1 . 2]" 1
461 1 22 ASN HD22 1 91 ARG HB3 . . 4.580 3.465 3.021 3.800 . 0 0 "[ . 1 . 2]" 1
462 1 22 ASN HA 1 22 ASN HD22 . . 4.720 4.418 4.177 4.585 . 0 0 "[ . 1 . 2]" 1
463 1 46 ARG H 1 62 ALA MB . . 4.110 3.758 3.589 3.958 . 0 0 "[ . 1 . 2]" 1
464 1 46 ARG H 1 61 PHE HB2 . . 5.260 4.233 3.973 4.448 . 0 0 "[ . 1 . 2]" 1
465 1 46 ARG H 1 46 ARG QD . . 5.380 4.497 4.078 5.035 . 0 0 "[ . 1 . 2]" 1
466 1 46 ARG H 1 46 ARG HG2 . . 5.360 4.742 4.571 4.998 . 0 0 "[ . 1 . 2]" 1
467 1 46 ARG H 1 46 ARG HG3 . . 5.360 4.675 4.583 4.944 . 0 0 "[ . 1 . 2]" 1
468 1 43 LYS HB3 1 64 PHE H . . 4.620 4.437 4.138 4.620 0.000 2 0 "[ . 1 . 2]" 1
469 1 88 LEU H 1 88 LEU MD2 . . 4.740 4.486 4.421 4.606 . 0 0 "[ . 1 . 2]" 1
470 1 88 LEU H 1 88 LEU MD1 . . 4.520 4.187 4.063 4.360 . 0 0 "[ . 1 . 2]" 1
471 1 87 LYS HG2 1 88 LEU H . . 4.450 4.133 3.889 4.409 . 0 0 "[ . 1 . 2]" 1
472 1 88 LEU H 1 91 ARG HB2 . . 4.230 3.252 3.004 3.589 . 0 0 "[ . 1 . 2]" 1
473 1 16 LYS HB2 1 17 THR H . . 4.510 4.065 4.042 4.093 . 0 0 "[ . 1 . 2]" 1
474 1 41 ASP HB2 1 65 MET H . . 4.620 4.052 3.717 4.364 . 0 0 "[ . 1 . 2]" 1
475 1 47 VAL HB 1 48 VAL H . . 4.410 4.253 4.108 4.370 . 0 0 "[ . 1 . 2]" 1
476 1 46 ARG HB3 1 47 VAL H . . 4.530 3.853 3.739 4.078 . 0 0 "[ . 1 . 2]" 1
477 1 41 ASP H 1 42 LEU H . . 4.860 4.533 4.438 4.651 . 0 0 "[ . 1 . 2]" 1
478 1 37 GLN HG2 1 38 GLN H . . 5.020 4.948 4.314 5.029 0.009 8 0 "[ . 1 . 2]" 1
479 1 37 GLN HG3 1 38 GLN H . . 5.020 4.609 2.777 4.903 . 0 0 "[ . 1 . 2]" 1
480 1 38 GLN H 1 38 GLN HE21 . . 3.750 3.491 2.853 3.738 . 0 0 "[ . 1 . 2]" 1
481 1 34 GLU HA 1 37 GLN HE21 . . 5.070 3.380 1.956 5.040 . 0 0 "[ . 1 . 2]" 1
482 1 35 VAL H 1 36 LEU HA . . 5.350 5.105 4.973 5.229 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU MD2 1 34 GLU H . . 5.190 4.664 4.446 4.853 . 0 0 "[ . 1 . 2]" 1
484 1 28 GLU HA 1 31 ALA H . . 5.120 4.755 4.488 4.937 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLU H 1 31 ALA HA . . 5.500 5.368 5.243 5.460 . 0 0 "[ . 1 . 2]" 1
486 1 24 SER H 1 93 LEU MD2 . . 4.110 3.637 3.304 4.022 . 0 0 "[ . 1 . 2]" 1
487 1 21 ARG HA 1 23 LEU H . . 4.360 3.740 3.494 3.944 . 0 0 "[ . 1 . 2]" 1
488 1 21 ARG H 1 93 LEU HA . . 5.030 4.097 3.922 4.354 . 0 0 "[ . 1 . 2]" 1
489 1 17 THR H 1 18 VAL H . . 5.500 4.428 4.407 4.431 . 0 0 "[ . 1 . 2]" 1
490 1 12 VAL MG1 1 13 THR H . . 5.500 3.173 1.899 4.187 . 0 0 "[ . 1 . 2]" 1
491 1 12 VAL MG2 1 13 THR H . . 5.500 3.500 1.865 4.273 . 0 0 "[ . 1 . 2]" 1
492 1 62 ALA H 1 63 GLN H . . 5.430 4.432 4.411 4.453 . 0 0 "[ . 1 . 2]" 1
493 1 63 GLN H 1 64 PHE H . . 5.500 4.311 4.146 4.395 . 0 0 "[ . 1 . 2]" 1
494 1 64 PHE QD 1 66 THR H . . 4.550 3.735 3.568 4.107 . 0 0 "[ . 1 . 2]" 1
495 1 66 THR H 1 67 GLN H . . 5.040 4.334 4.246 4.423 . 0 0 "[ . 1 . 2]" 1
496 1 64 PHE H 1 66 THR H . . 5.500 5.117 4.862 5.319 . 0 0 "[ . 1 . 2]" 1
497 1 66 THR H 1 68 GLU H . . 5.500 5.452 5.182 5.509 0.009 17 0 "[ . 1 . 2]" 1
498 1 16 LYS HG3 1 67 GLN H . . 5.000 4.227 3.833 4.440 . 0 0 "[ . 1 . 2]" 1
499 1 92 GLN H 1 93 LEU H . . 4.840 4.483 4.333 4.636 . 0 0 "[ . 1 . 2]" 1
500 1 20 ILE MG 1 94 LYS H . . 4.170 2.820 2.666 3.134 . 0 0 "[ . 1 . 2]" 1
501 1 18 VAL MG2 1 96 ASP H . . 5.400 5.196 5.116 5.280 . 0 0 "[ . 1 . 2]" 1
502 1 17 THR HB 1 98 ALA H . . 4.390 3.012 2.871 3.098 . 0 0 "[ . 1 . 2]" 1
503 1 80 GLU QG 1 81 ALA H . . 4.200 3.059 1.836 4.141 . 0 0 "[ . 1 . 2]" 1
504 1 63 GLN HB2 1 63 GLN QE . . 4.420 2.894 2.323 4.159 . 0 0 "[ . 1 . 2]" 1
505 1 49 LEU H 1 49 LEU HG . . 3.250 2.822 2.452 3.217 . 0 0 "[ . 1 . 2]" 1
506 1 46 ARG HB2 1 47 VAL H . . 4.540 4.319 4.133 4.388 . 0 0 "[ . 1 . 2]" 1
507 1 41 ASP H 1 64 PHE QD . . 5.070 4.141 3.724 4.414 . 0 0 "[ . 1 . 2]" 1
508 1 37 GLN H 1 39 PHE H . . 5.140 4.486 4.310 4.739 . 0 0 "[ . 1 . 2]" 1
509 1 36 LEU MD2 1 37 GLN H . . 4.820 4.686 4.629 4.779 . 0 0 "[ . 1 . 2]" 1
510 1 36 LEU H 1 38 GLN H . . 5.260 4.222 3.797 4.455 . 0 0 "[ . 1 . 2]" 1
511 1 32 LEU HA 1 36 LEU H . . 5.050 4.835 4.705 4.967 . 0 0 "[ . 1 . 2]" 1
512 1 33 GLY H 1 35 VAL H . . 4.940 3.973 3.879 4.024 . 0 0 "[ . 1 . 2]" 1
513 1 31 ALA HA 1 35 VAL H . . 4.730 4.532 4.357 4.629 . 0 0 "[ . 1 . 2]" 1
514 1 33 GLY HA2 1 35 VAL H . . 5.500 3.692 3.641 3.784 . 0 0 "[ . 1 . 2]" 1
515 1 35 VAL H 1 36 LEU MD1 . . 5.500 5.100 4.833 5.368 . 0 0 "[ . 1 . 2]" 1
516 1 34 GLU H 1 36 LEU H . . 4.810 4.492 4.246 4.810 . 0 0 "[ . 1 . 2]" 1
517 1 31 ALA HA 1 33 GLY H . . 4.910 4.618 4.481 4.828 . 0 0 "[ . 1 . 2]" 1
518 1 29 GLU H 1 30 GLU H . . 3.020 2.901 2.511 3.046 0.026 18 0 "[ . 1 . 2]" 1
519 1 28 GLU H 1 29 GLU H . . 4.440 4.350 4.255 4.448 0.008 5 0 "[ . 1 . 2]" 1
520 1 28 GLU HG2 1 29 GLU H . . 4.440 4.372 4.180 4.447 0.007 4 0 "[ . 1 . 2]" 1
521 1 21 ARG H 1 93 LEU HB3 . . 4.640 4.403 4.129 4.618 . 0 0 "[ . 1 . 2]" 1
522 1 17 THR H 1 70 ALA MB . . 3.840 3.175 3.123 3.244 . 0 0 "[ . 1 . 2]" 1
523 1 16 LYS H 1 16 LYS HE3 . . 5.170 4.572 4.067 4.952 . 0 0 "[ . 1 . 2]" 1
524 1 76 ALA H 1 77 ALA HA . . 5.260 5.008 4.907 5.121 . 0 0 "[ . 1 . 2]" 1
525 1 64 PHE H 1 64 PHE QE . . 5.450 5.231 4.989 5.424 . 0 0 "[ . 1 . 2]" 1
526 1 66 THR H 1 70 ALA MB . . 5.500 5.198 4.842 5.390 . 0 0 "[ . 1 . 2]" 1
527 1 64 PHE QE 1 73 CYS H . . 5.050 4.578 3.959 4.854 . 0 0 "[ . 1 . 2]" 1
528 1 64 PHE HZ 1 73 CYS H . . 5.500 4.907 4.562 5.216 . 0 0 "[ . 1 . 2]" 1
529 1 44 TYR QE 1 63 GLN H . . 4.750 4.626 4.390 4.745 . 0 0 "[ . 1 . 2]" 1
530 1 83 GLY H 1 84 GLY H . . 4.570 3.257 2.252 3.789 . 0 0 "[ . 1 . 2]" 1
531 1 91 ARG H 1 92 GLN H . . 4.390 4.252 4.096 4.386 . 0 0 "[ . 1 . 2]" 1
532 1 21 ARG H 1 95 VAL H . . 4.840 4.641 4.535 4.725 . 0 0 "[ . 1 . 2]" 1
533 1 23 LEU H 1 23 LEU HG . . 3.380 2.822 2.606 3.071 . 0 0 "[ . 1 . 2]" 1
534 1 93 LEU H 1 93 LEU HB2 . . 3.030 2.654 2.535 2.759 . 0 0 "[ . 1 . 2]" 1
535 1 95 VAL HA 1 96 ASP H . . 2.910 2.151 2.142 2.168 . 0 0 "[ . 1 . 2]" 1
536 1 79 LEU HB2 1 85 GLY H . . 4.750 4.092 2.774 4.752 0.002 18 0 "[ . 1 . 2]" 1
537 1 50 HIS HE1 1 52 ASP QB . . 3.690 2.773 2.378 3.511 . 0 0 "[ . 1 . 2]" 1
538 1 44 TYR QD 1 62 ALA HA . . 4.200 3.993 3.811 4.202 0.002 16 0 "[ . 1 . 2]" 1
539 1 44 TYR QD 1 45 VAL HA . . 3.870 3.375 3.098 3.705 . 0 0 "[ . 1 . 2]" 1
540 1 44 TYR QD 1 46 ARG HB3 . . 4.260 3.943 3.509 4.141 . 0 0 "[ . 1 . 2]" 1
541 1 44 TYR QD 1 46 ARG HB2 . . 3.580 2.635 2.475 2.899 . 0 0 "[ . 1 . 2]" 1
542 1 43 LYS HB3 1 44 TYR QD . . 3.740 3.398 3.169 3.694 . 0 0 "[ . 1 . 2]" 1
543 1 43 LYS HG2 1 44 TYR QD . . 3.970 3.046 2.877 3.224 . 0 0 "[ . 1 . 2]" 1
544 1 43 LYS HG3 1 44 TYR QD . . 3.490 3.073 2.783 3.241 . 0 0 "[ . 1 . 2]" 1
545 1 44 TYR H 1 44 TYR QD . . 4.230 3.408 3.199 3.635 . 0 0 "[ . 1 . 2]" 1
546 1 18 VAL MG1 1 64 PHE QD . . 4.460 1.903 1.817 2.009 . 0 0 "[ . 1 . 2]" 1
547 1 19 PHE QD 1 61 PHE QD . . 3.960 2.653 2.387 2.891 . 0 0 "[ . 1 . 2]" 1
548 1 19 PHE QD 1 98 ALA MB . . 4.450 3.549 3.372 3.645 . 0 0 "[ . 1 . 2]" 1
549 1 36 LEU MD2 1 39 PHE QE . . 3.810 3.272 2.741 3.682 . 0 0 "[ . 1 . 2]" 1
550 1 39 PHE HZ 1 86 LEU MD2 . . 3.540 2.725 2.223 3.411 . 0 0 "[ . 1 . 2]" 1
551 1 36 LEU MD2 1 64 PHE QE . . 3.860 3.551 3.283 3.721 . 0 0 "[ . 1 . 2]" 1
552 1 17 THR HA 1 63 GLN HG3 . . 4.600 3.130 2.775 3.293 . 0 0 "[ . 1 . 2]" 1
553 1 17 THR HA 1 18 VAL MG1 . . 4.580 3.245 3.179 3.378 . 0 0 "[ . 1 . 2]" 1
554 1 18 VAL HA 1 97 LEU HA . . 3.380 2.780 2.740 2.813 . 0 0 "[ . 1 . 2]" 1
555 1 18 VAL HA 1 18 VAL MG2 . . 3.480 3.188 3.185 3.193 . 0 0 "[ . 1 . 2]" 1
556 1 18 VAL HA 1 18 VAL MG1 . . 3.160 2.424 2.381 2.460 . 0 0 "[ . 1 . 2]" 1
557 1 20 ILE H 1 61 PHE HA . . 4.360 3.381 3.235 3.536 . 0 0 "[ . 1 . 2]" 1
558 1 61 PHE HA 1 61 PHE QD . . 3.840 3.059 2.987 3.141 . 0 0 "[ . 1 . 2]" 1
559 1 19 PHE HA 1 61 PHE HA . . 3.580 2.425 2.365 2.506 . 0 0 "[ . 1 . 2]" 1
560 1 61 PHE HA 1 98 ALA MB . . 5.490 4.440 4.332 4.608 . 0 0 "[ . 1 . 2]" 1
561 1 61 PHE HA 1 62 ALA MB . . 3.890 3.844 3.798 3.880 . 0 0 "[ . 1 . 2]" 1
562 1 19 PHE HA 1 20 ILE H . . 3.130 2.145 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
563 1 19 PHE HA 1 19 PHE QD . . 3.560 2.365 2.036 3.222 . 0 0 "[ . 1 . 2]" 1
564 1 19 PHE HA 1 98 ALA MB . . 3.910 3.610 3.541 3.695 . 0 0 "[ . 1 . 2]" 1
565 1 87 LYS HA 1 93 LEU MD1 . . 4.080 3.393 2.828 4.084 0.004 11 0 "[ . 1 . 2]" 1
566 1 87 LYS HA 1 93 LEU MD2 . . 4.440 3.652 3.078 4.066 . 0 0 "[ . 1 . 2]" 1
567 1 87 LYS HA 1 93 LEU H . . 3.670 2.851 2.370 3.278 . 0 0 "[ . 1 . 2]" 1
568 1 87 LYS HA 1 92 GLN HA . . 3.540 2.741 2.279 3.211 . 0 0 "[ . 1 . 2]" 1
569 1 21 ARG HA 1 59 CYS HA . . 3.660 2.907 2.499 3.270 . 0 0 "[ . 1 . 2]" 1
570 1 23 LEU MD2 1 59 CYS HA . . 4.440 4.146 3.714 4.410 . 0 0 "[ . 1 . 2]" 1
571 1 87 LYS HA 1 87 LYS HG3 . . 4.060 3.331 3.246 3.454 . 0 0 "[ . 1 . 2]" 1
572 1 46 ARG HA 1 47 VAL H . . 2.910 2.177 2.158 2.197 . 0 0 "[ . 1 . 2]" 1
573 1 29 GLU QG 1 46 ARG HA . . 4.010 2.831 2.357 3.113 . 0 0 "[ . 1 . 2]" 1
574 1 46 ARG HA 1 47 VAL HB . . 4.780 4.627 4.526 4.763 . 0 0 "[ . 1 . 2]" 1
575 1 46 ARG HA 1 46 ARG HG2 . . 3.900 2.979 2.346 3.653 . 0 0 "[ . 1 . 2]" 1
576 1 45 VAL MG2 1 46 ARG HA . . 4.610 3.532 3.410 3.634 . 0 0 "[ . 1 . 2]" 1
577 1 44 TYR QE 1 61 PHE HB2 . . 3.750 3.491 3.208 3.713 . 0 0 "[ . 1 . 2]" 1
578 1 44 TYR QE 1 63 GLN HB2 . . 3.930 2.334 2.038 2.766 . 0 0 "[ . 1 . 2]" 1
579 1 44 TYR QE 1 63 GLN HB3 . . 4.320 3.453 3.197 3.853 . 0 0 "[ . 1 . 2]" 1
580 1 17 THR HA 1 63 GLN HA . . 3.320 2.638 2.518 2.761 . 0 0 "[ . 1 . 2]" 1
581 1 63 GLN HA 1 63 GLN HG3 . . 3.610 2.761 2.529 2.843 . 0 0 "[ . 1 . 2]" 1
582 1 63 GLN HA 1 63 GLN HG2 . . 3.780 2.609 2.561 2.721 . 0 0 "[ . 1 . 2]" 1
583 1 96 ASP HA 1 97 LEU H . . 3.120 2.230 2.216 2.238 . 0 0 "[ . 1 . 2]" 1
584 1 96 ASP HA 1 97 LEU HB2 . . 4.480 4.397 4.381 4.403 . 0 0 "[ . 1 . 2]" 1
585 1 74 LEU MD2 1 96 ASP HA . . 3.310 1.892 1.777 1.959 . 0 0 "[ . 1 . 2]" 1
586 1 60 ALA HA 1 61 PHE H . . 3.160 2.341 2.224 2.435 . 0 0 "[ . 1 . 2]" 1
587 1 48 VAL H 1 60 ALA HA . . 3.670 2.508 2.283 2.732 . 0 0 "[ . 1 . 2]" 1
588 1 47 VAL HA 1 60 ALA HA . . 3.350 2.353 2.149 2.485 . 0 0 "[ . 1 . 2]" 1
589 1 48 VAL MG1 1 60 ALA HA . . 3.210 2.923 2.513 3.190 . 0 0 "[ . 1 . 2]" 1
590 1 15 GLY HA3 1 16 LYS HG3 . . 4.020 4.031 3.947 4.051 0.031 16 0 "[ . 1 . 2]" 1
591 1 96 ASP HB2 1 97 LEU H . . 4.210 4.080 3.867 4.193 . 0 0 "[ . 1 . 2]" 1
592 1 96 ASP HB3 1 97 LEU H . . 4.210 3.890 3.707 4.157 . 0 0 "[ . 1 . 2]" 1
593 1 96 ASP H 1 96 ASP HB3 . . 4.090 2.870 2.675 3.016 . 0 0 "[ . 1 . 2]" 1
594 1 88 LEU HB3 1 88 LEU MD2 . . 3.410 2.109 1.995 2.349 . 0 0 "[ . 1 . 2]" 1
595 1 88 LEU HB2 1 88 LEU MD1 . . 3.650 2.136 1.996 2.370 . 0 0 "[ . 1 . 2]" 1
596 1 85 GLY HA3 1 86 LEU H . . 3.440 2.928 2.440 3.294 . 0 0 "[ . 1 . 2]" 1
597 1 85 GLY HA2 1 92 GLN HE22 . . 4.630 4.143 3.070 4.632 0.002 2 0 "[ . 1 . 2]" 1
598 1 77 ALA MB 1 85 GLY HA2 . . 5.030 4.558 4.250 4.872 . 0 0 "[ . 1 . 2]" 1
599 1 77 ALA HA 1 86 LEU HB2 . . 4.370 2.421 2.191 2.623 . 0 0 "[ . 1 . 2]" 1
600 1 86 LEU HB2 1 87 LYS H . . 4.550 4.121 3.926 4.266 . 0 0 "[ . 1 . 2]" 1
601 1 77 ALA HA 1 86 LEU HB3 . . 4.370 4.175 3.942 4.379 0.009 19 0 "[ . 1 . 2]" 1
602 1 86 LEU HB3 1 86 LEU MD2 . . 3.550 2.220 2.102 2.368 . 0 0 "[ . 1 . 2]" 1
603 1 86 LEU HB3 1 93 LEU MD1 . . 4.110 2.478 2.137 2.739 . 0 0 "[ . 1 . 2]" 1
604 1 40 GLY HA2 1 69 ALA MB . . 3.900 3.816 3.482 3.910 0.010 12 0 "[ . 1 . 2]" 1
605 1 44 TYR QE 1 61 PHE HB3 . . 4.350 4.239 3.975 4.351 0.001 18 0 "[ . 1 . 2]" 1
606 1 61 PHE HB2 1 62 ALA H . . 4.110 4.021 3.915 4.090 . 0 0 "[ . 1 . 2]" 1
607 1 61 PHE HB2 1 98 ALA MB . . 5.500 5.412 5.284 5.504 0.004 18 0 "[ . 1 . 2]" 1
608 1 61 PHE H 1 61 PHE HB3 . . 4.000 3.781 3.701 3.832 . 0 0 "[ . 1 . 2]" 1
609 1 42 LEU HB2 1 43 LYS H . . 4.730 4.378 4.148 4.531 . 0 0 "[ . 1 . 2]" 1
610 1 42 LEU HB2 1 44 TYR H . . 5.500 4.944 4.518 5.431 . 0 0 "[ . 1 . 2]" 1
611 1 37 GLN HA 1 42 LEU HB2 . . 4.510 4.090 3.847 4.378 . 0 0 "[ . 1 . 2]" 1
612 1 41 ASP HA 1 42 LEU HB2 . . 4.910 4.340 4.242 4.449 . 0 0 "[ . 1 . 2]" 1
613 1 42 LEU H 1 42 LEU HB3 . . 3.920 3.548 3.499 3.630 . 0 0 "[ . 1 . 2]" 1
614 1 42 LEU HB3 1 45 VAL MG1 . . 4.610 3.857 3.502 4.242 . 0 0 "[ . 1 . 2]" 1
615 1 19 PHE QE 1 21 ARG HD2 . . 4.490 2.763 2.145 4.110 . 0 0 "[ . 1 . 2]" 1
616 1 21 ARG HB3 1 21 ARG HD2 . . 4.220 3.437 2.303 4.203 . 0 0 "[ . 1 . 2]" 1
617 1 21 ARG HB2 1 21 ARG HD2 . . 3.770 3.366 2.432 3.768 . 0 0 "[ . 1 . 2]" 1
618 1 21 ARG HB3 1 21 ARG HD3 . . 4.220 2.994 2.234 3.765 . 0 0 "[ . 1 . 2]" 1
619 1 21 ARG HB2 1 21 ARG HD3 . . 3.770 2.756 2.264 3.694 . 0 0 "[ . 1 . 2]" 1
620 1 46 ARG HA 1 46 ARG QD . . 4.160 3.240 2.069 4.105 . 0 0 "[ . 1 . 2]" 1
621 1 46 ARG HB3 1 46 ARG QD . . 3.740 2.682 2.098 3.399 . 0 0 "[ . 1 . 2]" 1
622 1 46 ARG HB2 1 46 ARG QD . . 3.300 2.571 2.243 3.249 . 0 0 "[ . 1 . 2]" 1
623 1 101 ARG HB3 1 101 ARG QD . . 3.580 2.634 2.124 3.444 . 0 0 "[ . 1 . 2]" 1
624 1 49 LEU HB2 1 49 LEU MD1 . . 3.540 2.237 2.115 2.339 . 0 0 "[ . 1 . 2]" 1
625 1 101 ARG HA 1 101 ARG QD . . 4.340 3.580 2.035 4.346 0.006 11 0 "[ . 1 . 2]" 1
626 1 101 ARG HB2 1 101 ARG QD . . 3.580 2.615 2.106 3.478 . 0 0 "[ . 1 . 2]" 1
627 1 23 LEU H 1 23 LEU HB3 . . 4.000 3.554 3.499 3.592 . 0 0 "[ . 1 . 2]" 1
628 1 23 LEU HB3 1 23 LEU MD1 . . 3.570 2.491 2.254 2.575 . 0 0 "[ . 1 . 2]" 1
629 1 23 LEU HB2 1 58 GLY HA2 . . 4.420 2.473 1.996 3.013 . 0 0 "[ . 1 . 2]" 1
630 1 23 LEU HB2 1 58 GLY HA3 . . 4.420 3.813 3.323 4.260 . 0 0 "[ . 1 . 2]" 1
631 1 91 ARG HB3 1 91 ARG HD3 . . 3.570 2.336 2.086 2.685 . 0 0 "[ . 1 . 2]" 1
632 1 43 LYS QE 1 43 LYS HG2 . . 3.100 2.332 2.111 2.873 . 0 0 "[ . 1 . 2]" 1
633 1 43 LYS QE 1 43 LYS HG3 . . 3.330 2.764 2.304 3.267 . 0 0 "[ . 1 . 2]" 1
634 1 16 LYS HE2 1 16 LYS HG3 . . 3.760 3.559 3.261 3.735 . 0 0 "[ . 1 . 2]" 1
635 1 16 LYS HE3 1 16 LYS HG2 . . 3.430 2.622 2.421 2.888 . 0 0 "[ . 1 . 2]" 1
636 1 16 LYS HE3 1 16 LYS HG3 . . 3.840 2.460 2.194 2.736 . 0 0 "[ . 1 . 2]" 1
637 1 69 ALA HA 1 72 LYS QE . . 4.180 4.065 3.789 4.185 0.005 1 0 "[ . 1 . 2]" 1
638 1 64 PHE HB3 1 70 ALA MB . . 4.400 3.947 3.578 4.153 . 0 0 "[ . 1 . 2]" 1
639 1 64 PHE HB2 1 66 THR H . . 4.430 3.709 3.453 3.920 . 0 0 "[ . 1 . 2]" 1
640 1 72 LYS H 1 72 LYS QE . . 4.960 4.537 4.410 4.815 . 0 0 "[ . 1 . 2]" 1
641 1 64 PHE HB2 1 69 ALA MB . . 3.770 2.920 2.781 3.130 . 0 0 "[ . 1 . 2]" 1
642 1 19 PHE HB2 1 98 ALA MB . . 3.650 1.948 1.842 2.083 . 0 0 "[ . 1 . 2]" 1
643 1 87 LYS QE 1 87 LYS HG3 . . 3.490 2.397 2.054 3.074 . 0 0 "[ . 1 . 2]" 1
644 1 36 LEU HB2 1 42 LEU MD1 . . 3.410 1.900 1.824 2.055 . 0 0 "[ . 1 . 2]" 1
645 1 36 LEU HB2 1 64 PHE HZ . . 3.990 3.739 3.463 3.957 . 0 0 "[ . 1 . 2]" 1
646 1 36 LEU HB2 1 36 LEU MD1 . . 3.390 2.341 2.294 2.396 . 0 0 "[ . 1 . 2]" 1
647 1 36 LEU HB3 1 36 LEU MD2 . . 3.020 2.248 2.180 2.342 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU HB3 1 64 PHE HZ . . 3.660 2.231 2.028 2.395 . 0 0 "[ . 1 . 2]" 1
649 1 36 LEU HB3 1 42 LEU MD1 . . 3.520 3.219 3.112 3.410 . 0 0 "[ . 1 . 2]" 1
650 1 74 LEU HB2 1 75 ALA H . . 3.300 2.047 1.931 2.191 . 0 0 "[ . 1 . 2]" 1
651 1 97 LEU HB3 1 98 ALA H . . 4.730 4.354 4.335 4.360 . 0 0 "[ . 1 . 2]" 1
652 1 97 LEU HB3 1 97 LEU MD1 . . 3.120 2.615 2.573 2.645 . 0 0 "[ . 1 . 2]" 1
653 1 71 GLN HA 1 74 LEU HB3 . . 4.860 4.540 4.378 4.698 . 0 0 "[ . 1 . 2]" 1
654 1 48 VAL MG2 1 57 LYS QE . . 4.120 3.258 1.890 4.122 0.002 13 0 "[ . 1 . 2]" 1
655 1 57 LYS HB2 1 57 LYS QE . . 4.920 3.588 2.231 4.365 . 0 0 "[ . 1 . 2]" 1
656 1 41 ASP HB2 1 42 LEU H . . 4.480 4.157 3.598 4.384 . 0 0 "[ . 1 . 2]" 1
657 1 41 ASP HB2 1 65 MET HB2 . . 4.150 2.570 2.067 3.023 . 0 0 "[ . 1 . 2]" 1
658 1 41 ASP HB2 1 65 MET HB3 . . 4.150 3.665 3.094 4.109 . 0 0 "[ . 1 . 2]" 1
659 1 93 LEU HB2 1 95 VAL MG2 . . 3.620 3.398 3.180 3.567 . 0 0 "[ . 1 . 2]" 1
660 1 93 LEU HB2 1 93 LEU MD1 . . 3.330 2.217 2.027 2.513 . 0 0 "[ . 1 . 2]" 1
661 1 93 LEU H 1 93 LEU HB3 . . 4.130 3.671 3.597 3.779 . 0 0 "[ . 1 . 2]" 1
662 1 26 ASP H 1 26 ASP HB2 . . 3.810 2.627 2.211 3.591 . 0 0 "[ . 1 . 2]" 1
663 1 26 ASP H 1 26 ASP HB3 . . 3.810 3.061 2.317 3.665 . 0 0 "[ . 1 . 2]" 1
664 1 79 LEU HB3 1 79 LEU MD2 . . 3.410 2.360 2.034 3.178 . 0 0 "[ . 1 . 2]" 1
665 1 79 LEU H 1 79 LEU HB2 . . 3.820 3.553 3.496 3.606 . 0 0 "[ . 1 . 2]" 1
666 1 79 LEU HB2 1 79 LEU MD2 . . 3.360 2.817 2.153 3.190 . 0 0 "[ . 1 . 2]" 1
667 1 52 ASP QB 1 53 THR MG . . 4.320 3.156 2.669 3.857 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU HB3 1 32 LEU MD2 . . 3.360 2.222 2.182 2.284 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU HB2 1 32 LEU MD2 . . 3.300 3.180 3.173 3.190 . 0 0 "[ . 1 . 2]" 1
670 1 20 ILE HB 1 32 LEU MD1 . . 4.080 3.108 2.878 3.319 . 0 0 "[ . 1 . 2]" 1
671 1 44 TYR HB3 1 45 VAL H . . 4.480 4.313 4.202 4.440 . 0 0 "[ . 1 . 2]" 1
672 1 39 PHE HB3 1 64 PHE QE . . 4.330 3.773 3.339 4.288 . 0 0 "[ . 1 . 2]" 1
673 1 39 PHE HB3 1 64 PHE HZ . . 4.820 4.182 3.760 4.440 . 0 0 "[ . 1 . 2]" 1
674 1 39 PHE HB2 1 64 PHE QE . . 3.370 2.489 2.079 3.141 . 0 0 "[ . 1 . 2]" 1
675 1 39 PHE HB2 1 64 PHE HZ . . 3.790 2.703 2.315 2.922 . 0 0 "[ . 1 . 2]" 1
676 1 53 THR HB 1 54 GLU H . . 4.670 3.248 2.045 3.864 . 0 0 "[ . 1 . 2]" 1
677 1 22 ASN HB3 1 94 LYS H . . 4.380 3.550 3.373 3.755 . 0 0 "[ . 1 . 2]" 1
678 1 39 PHE HB3 1 72 LYS HB2 . . 3.960 2.718 2.011 2.979 . 0 0 "[ . 1 . 2]" 1
679 1 29 GLU QG 1 47 VAL H . . 3.770 3.044 2.748 3.252 . 0 0 "[ . 1 . 2]" 1
680 1 29 GLU QG 1 47 VAL MG2 . . 4.800 4.651 4.460 4.802 0.002 10 0 "[ . 1 . 2]" 1
681 1 29 GLU QG 1 60 ALA MB . . 5.050 4.351 4.038 4.572 . 0 0 "[ . 1 . 2]" 1
682 1 29 GLU QG 1 45 VAL MG2 . . 3.210 1.820 1.770 1.876 . 0 0 "[ . 1 . 2]" 1
683 1 100 THR HB 1 101 ARG H . . 4.910 3.760 2.034 4.466 . 0 0 "[ . 1 . 2]" 1
684 1 13 THR H 1 13 THR HB . . 4.030 3.269 2.570 4.001 . 0 0 "[ . 1 . 2]" 1
685 1 17 THR HB 1 97 LEU MD1 . . 4.000 1.905 1.876 1.920 . 0 0 "[ . 1 . 2]" 1
686 1 30 GLU QG 1 31 ALA H . . 4.670 2.954 1.770 4.160 . 0 0 "[ . 1 . 2]" 1
687 1 28 GLU HA 1 28 GLU HG3 . . 3.620 3.395 3.290 3.519 . 0 0 "[ . 1 . 2]" 1
688 1 80 GLU H 1 80 GLU QG . . 4.080 2.994 1.869 4.055 . 0 0 "[ . 1 . 2]" 1
689 1 34 GLU H 1 34 GLU HG3 . . 4.070 3.216 2.358 3.969 . 0 0 "[ . 1 . 2]" 1
690 1 82 GLU HA 1 82 GLU QG . . 3.420 2.853 2.202 3.436 0.016 18 0 "[ . 1 . 2]" 1
691 1 21 ARG HB3 1 22 ASN H . . 3.810 2.722 2.338 2.894 . 0 0 "[ . 1 . 2]" 1
692 1 21 ARG HB2 1 94 LYS HB3 . . 2.980 2.644 2.501 3.013 0.033 14 0 "[ . 1 . 2]" 1
693 1 21 ARG HB3 1 94 LYS HB3 . . 3.990 3.911 3.226 4.006 0.016 18 0 "[ . 1 . 2]" 1
694 1 21 ARG HB2 1 22 ASN H . . 4.320 3.998 3.721 4.135 . 0 0 "[ . 1 . 2]" 1
695 1 42 LEU MD1 1 45 VAL HB . . 3.950 3.107 2.658 3.431 . 0 0 "[ . 1 . 2]" 1
696 1 77 ALA MB 1 95 VAL HB . . 3.190 2.143 1.907 2.265 . 0 0 "[ . 1 . 2]" 1
697 1 16 LYS HG3 1 67 GLN HG2 . . 4.260 3.391 2.668 3.862 . 0 0 "[ . 1 . 2]" 1
698 1 67 GLN H 1 67 GLN HG3 . . 4.520 2.879 2.298 4.376 . 0 0 "[ . 1 . 2]" 1
699 1 67 GLN HA 1 67 GLN HG3 . . 3.750 2.910 2.516 3.653 . 0 0 "[ . 1 . 2]" 1
700 1 16 LYS HG3 1 67 GLN HG3 . . 4.260 3.281 2.854 4.278 0.018 11 0 "[ . 1 . 2]" 1
701 1 18 VAL HB 1 95 VAL MG1 . . 2.870 2.117 2.001 2.247 . 0 0 "[ . 1 . 2]" 1
702 1 34 GLU HA 1 37 GLN HG3 . . 4.530 2.787 2.079 3.056 . 0 0 "[ . 1 . 2]" 1
703 1 21 ARG HB3 1 94 LYS HB2 . . 3.190 2.843 1.965 3.085 . 0 0 "[ . 1 . 2]" 1
704 1 21 ARG HB2 1 94 LYS HB2 . . 2.530 2.092 1.991 2.577 0.047 16 0 "[ . 1 . 2]" 1
705 1 94 LYS HB2 1 94 LYS QD . . 2.900 2.546 2.222 2.678 . 0 0 "[ . 1 . 2]" 1
706 1 71 GLN H 1 71 GLN HG3 . . 3.720 3.718 3.686 3.731 0.011 4 0 "[ . 1 . 2]" 1
707 1 71 GLN HA 1 71 GLN HG3 . . 3.920 3.628 3.599 3.664 . 0 0 "[ . 1 . 2]" 1
708 1 46 ARG H 1 46 ARG HB3 . . 3.740 2.923 2.686 3.032 . 0 0 "[ . 1 . 2]" 1
709 1 44 TYR QE 1 46 ARG HB3 . . 4.270 2.803 2.590 3.195 . 0 0 "[ . 1 . 2]" 1
710 1 46 ARG HB3 1 61 PHE HB2 . . 4.470 3.598 3.333 3.823 . 0 0 "[ . 1 . 2]" 1
711 1 46 ARG H 1 46 ARG HB2 . . 3.880 2.833 2.693 3.095 . 0 0 "[ . 1 . 2]" 1
712 1 44 TYR QE 1 46 ARG HB2 . . 4.070 2.654 2.473 3.286 . 0 0 "[ . 1 . 2]" 1
713 1 35 VAL HA 1 38 GLN HE21 . . 4.280 2.920 2.498 3.199 . 0 0 "[ . 1 . 2]" 1
714 1 35 VAL HA 1 35 VAL MG2 . . 3.300 2.320 2.154 2.428 . 0 0 "[ . 1 . 2]" 1
715 1 99 VAL H 1 99 VAL HB . . 3.690 3.154 2.607 3.710 0.020 16 0 "[ . 1 . 2]" 1
716 1 43 LYS HB3 1 43 LYS HG3 . . 2.630 2.602 2.520 2.642 0.012 7 0 "[ . 1 . 2]" 1
717 1 43 LYS HB3 1 63 GLN HB3 . . 3.870 2.028 1.992 2.133 . 0 0 "[ . 1 . 2]" 1
718 1 48 VAL MG2 1 57 LYS HB2 . . 4.170 3.134 1.974 3.571 . 0 0 "[ . 1 . 2]" 1
719 1 48 VAL MG2 1 57 LYS HB3 . . 4.170 3.784 2.650 4.158 . 0 0 "[ . 1 . 2]" 1
720 1 41 ASP HB2 1 65 MET HG2 . . 4.260 3.510 2.255 4.022 . 0 0 "[ . 1 . 2]" 1
721 1 41 ASP HB2 1 65 MET HG3 . . 4.260 2.215 1.998 2.566 . 0 0 "[ . 1 . 2]" 1
722 1 72 LYS HB2 1 73 CYS H . . 3.940 2.991 2.831 3.107 . 0 0 "[ . 1 . 2]" 1
723 1 39 PHE QD 1 72 LYS HB2 . . 3.880 3.311 3.071 3.499 . 0 0 "[ . 1 . 2]" 1
724 1 69 ALA HA 1 72 LYS HB3 . . 4.520 4.226 4.058 4.477 . 0 0 "[ . 1 . 2]" 1
725 1 72 LYS H 1 72 LYS HB3 . . 3.690 3.569 3.537 3.591 . 0 0 "[ . 1 . 2]" 1
726 1 72 LYS HB3 1 73 CYS H . . 4.010 3.797 3.630 3.922 . 0 0 "[ . 1 . 2]" 1
727 1 39 PHE HB3 1 72 LYS HB3 . . 4.430 3.069 2.727 3.349 . 0 0 "[ . 1 . 2]" 1
728 1 38 GLN HG3 1 39 PHE QE . . 4.600 3.601 3.365 3.815 . 0 0 "[ . 1 . 2]" 1
729 1 23 LEU MD1 1 47 VAL HB . . 3.950 3.796 3.572 3.948 . 0 0 "[ . 1 . 2]" 1
730 1 47 VAL H 1 47 VAL HB . . 3.290 3.163 3.071 3.283 . 0 0 "[ . 1 . 2]" 1
731 1 47 VAL HB 1 60 ALA MB . . 3.640 2.280 1.963 2.461 . 0 0 "[ . 1 . 2]" 1
732 1 35 VAL HB 1 36 LEU MD2 . . 3.550 3.439 3.301 3.558 0.008 10 0 "[ . 1 . 2]" 1
733 1 32 LEU HA 1 35 VAL HB . . 3.890 3.243 2.946 3.473 . 0 0 "[ . 1 . 2]" 1
734 1 59 CYS HB2 1 60 ALA H . . 3.930 2.810 2.311 3.824 . 0 0 "[ . 1 . 2]" 1
735 1 19 PHE HZ 1 59 CYS HB2 . . 4.580 2.305 2.011 3.108 . 0 0 "[ . 1 . 2]" 1
736 1 19 PHE QE 1 59 CYS HB2 . . 4.640 2.412 1.996 3.332 . 0 0 "[ . 1 . 2]" 1
737 1 21 ARG HA 1 59 CYS HB2 . . 4.540 3.775 3.090 4.545 0.005 10 0 "[ . 1 . 2]" 1
738 1 59 CYS HB3 1 60 ALA H . . 3.930 3.399 2.337 3.932 0.002 11 0 "[ . 1 . 2]" 1
739 1 19 PHE HZ 1 59 CYS HB3 . . 4.580 2.603 2.009 3.262 . 0 0 "[ . 1 . 2]" 1
740 1 19 PHE QE 1 59 CYS HB3 . . 4.640 3.292 2.140 4.008 . 0 0 "[ . 1 . 2]" 1
741 1 21 ARG HA 1 59 CYS HB3 . . 4.540 2.952 2.496 3.565 . 0 0 "[ . 1 . 2]" 1
742 1 91 ARG HB3 1 93 LEU MD2 . . 4.330 3.527 2.968 3.993 . 0 0 "[ . 1 . 2]" 1
743 1 91 ARG H 1 91 ARG HB3 . . 4.050 3.768 3.611 3.909 . 0 0 "[ . 1 . 2]" 1
744 1 48 VAL H 1 48 VAL HB . . 3.520 2.598 2.526 2.693 . 0 0 "[ . 1 . 2]" 1
745 1 28 GLU HB3 1 31 ALA H . . 4.260 3.755 3.460 4.108 . 0 0 "[ . 1 . 2]" 1
746 1 28 GLU HB3 1 31 ALA MB . . 4.570 4.284 3.968 4.553 . 0 0 "[ . 1 . 2]" 1
747 1 28 GLU H 1 28 GLU HB3 . . 4.180 3.897 3.786 3.968 . 0 0 "[ . 1 . 2]" 1
748 1 28 GLU HB2 1 29 GLU H . . 4.160 3.832 3.299 4.103 . 0 0 "[ . 1 . 2]" 1
749 1 23 LEU HB3 1 27 SER QB . . 3.810 3.101 2.661 3.460 . 0 0 "[ . 1 . 2]" 1
750 1 27 SER QB 1 88 LEU MD1 . . 4.450 4.357 3.988 4.452 0.002 7 0 "[ . 1 . 2]" 1
751 1 27 SER QB 1 88 LEU MD2 . . 3.250 2.041 1.868 2.453 . 0 0 "[ . 1 . 2]" 1
752 1 48 VAL HA 1 49 LEU H . . 3.120 2.174 2.140 2.244 . 0 0 "[ . 1 . 2]" 1
753 1 48 VAL HA 1 48 VAL MG2 . . 3.400 2.359 2.252 2.455 . 0 0 "[ . 1 . 2]" 1
754 1 47 VAL HA 1 48 VAL H . . 3.210 2.145 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
755 1 47 VAL HA 1 48 VAL MG1 . . 3.780 3.663 3.530 3.759 . 0 0 "[ . 1 . 2]" 1
756 1 24 SER H 1 24 SER HB2 . . 3.740 2.776 2.422 3.682 . 0 0 "[ . 1 . 2]" 1
757 1 24 SER HB2 1 27 SER H . . 4.470 3.946 2.222 4.427 . 0 0 "[ . 1 . 2]" 1
758 1 24 SER H 1 24 SER HB3 . . 3.740 2.779 2.389 3.688 . 0 0 "[ . 1 . 2]" 1
759 1 24 SER HB3 1 88 LEU HB3 . . 5.500 4.270 3.744 5.293 . 0 0 "[ . 1 . 2]" 1
760 1 13 THR HA 1 13 THR MG . . 3.380 2.395 2.125 3.208 . 0 0 "[ . 1 . 2]" 1
761 1 12 VAL MG1 1 13 THR HA . . 5.500 3.968 3.222 5.442 . 0 0 "[ . 1 . 2]" 1
762 1 12 VAL MG2 1 13 THR HA . . 5.500 4.384 3.107 5.531 0.031 11 0 "[ . 1 . 2]" 1
763 1 29 GLU HB2 1 47 VAL MG1 . . 3.920 2.204 1.807 2.609 . 0 0 "[ . 1 . 2]" 1
764 1 29 GLU HB2 1 30 GLU H . . 4.070 3.664 3.602 3.778 . 0 0 "[ . 1 . 2]" 1
765 1 29 GLU HB2 1 29 GLU QG . . 2.480 2.362 2.141 2.420 . 0 0 "[ . 1 . 2]" 1
766 1 29 GLU HB3 1 47 VAL MG1 . . 4.550 3.659 3.221 4.094 . 0 0 "[ . 1 . 2]" 1
767 1 45 VAL HA 1 46 ARG H . . 3.180 2.149 2.141 2.170 . 0 0 "[ . 1 . 2]" 1
768 1 45 VAL HA 1 62 ALA HA . . 3.370 2.413 2.247 2.531 . 0 0 "[ . 1 . 2]" 1
769 1 45 VAL HA 1 45 VAL MG2 . . 3.430 2.441 2.366 2.522 . 0 0 "[ . 1 . 2]" 1
770 1 69 ALA HA 1 72 LYS HD2 . . 4.230 2.614 2.509 2.695 . 0 0 "[ . 1 . 2]" 1
771 1 69 ALA HA 1 72 LYS HD3 . . 4.230 4.188 4.030 4.237 0.007 8 0 "[ . 1 . 2]" 1
772 1 16 LYS HD2 1 66 THR HA . . 4.130 3.779 3.554 3.935 . 0 0 "[ . 1 . 2]" 1
773 1 34 GLU H 1 34 GLU HB3 . . 3.780 3.558 3.506 3.603 . 0 0 "[ . 1 . 2]" 1
774 1 57 LYS HA 1 57 LYS QD . . 4.110 3.450 2.296 4.122 0.012 1 0 "[ . 1 . 2]" 1
775 1 87 LYS HA 1 87 LYS QD . . 4.690 3.650 3.589 3.702 . 0 0 "[ . 1 . 2]" 1
776 1 39 PHE QE 1 73 CYS HA . . 3.930 3.228 2.879 3.616 . 0 0 "[ . 1 . 2]" 1
777 1 68 GLU HB2 1 69 ALA H . . 3.830 3.619 3.498 3.800 . 0 0 "[ . 1 . 2]" 1
778 1 30 GLU HB3 1 31 ALA H . . 4.010 3.076 2.021 4.009 . 0 0 "[ . 1 . 2]" 1
779 1 68 GLU HB3 1 69 ALA H . . 3.830 2.707 2.479 3.052 . 0 0 "[ . 1 . 2]" 1
780 1 29 GLU HA 1 32 LEU H . . 4.190 3.946 3.680 4.106 . 0 0 "[ . 1 . 2]" 1
781 1 29 GLU HA 1 29 GLU QG . . 3.260 2.274 2.212 2.359 . 0 0 "[ . 1 . 2]" 1
782 1 29 GLU HA 1 32 LEU HB3 . . 3.660 2.763 2.677 2.875 . 0 0 "[ . 1 . 2]" 1
783 1 29 GLU HA 1 32 LEU HB2 . . 4.000 3.613 3.443 3.829 . 0 0 "[ . 1 . 2]" 1
784 1 29 GLU HA 1 47 VAL MG1 . . 3.280 2.943 2.507 3.179 . 0 0 "[ . 1 . 2]" 1
785 1 29 GLU HA 1 32 LEU MD1 . . 4.230 3.275 3.065 3.484 . 0 0 "[ . 1 . 2]" 1
786 1 94 LYS HA 1 94 LYS QD . . 3.930 3.748 2.765 3.984 0.054 8 0 "[ . 1 . 2]" 1
787 1 19 PHE HA 1 20 ILE HG13 . . 4.480 4.168 4.044 4.279 . 0 0 "[ . 1 . 2]" 1
788 1 20 ILE H 1 20 ILE HG13 . . 3.900 2.954 2.803 3.110 . 0 0 "[ . 1 . 2]" 1
789 1 20 ILE HA 1 20 ILE HG13 . . 3.790 2.520 2.463 2.593 . 0 0 "[ . 1 . 2]" 1
790 1 20 ILE HG13 1 32 LEU MD1 . . 4.680 4.459 4.230 4.662 . 0 0 "[ . 1 . 2]" 1
791 1 20 ILE HA 1 20 ILE HG12 . . 3.910 3.605 3.565 3.645 . 0 0 "[ . 1 . 2]" 1
792 1 20 ILE HG12 1 36 LEU MD1 . . 2.940 2.770 2.436 2.925 . 0 0 "[ . 1 . 2]" 1
793 1 38 GLN HB2 1 38 GLN HE21 . . 4.460 3.224 2.989 3.888 . 0 0 "[ . 1 . 2]" 1
794 1 38 GLN H 1 38 GLN HB2 . . 3.770 3.553 3.525 3.594 . 0 0 "[ . 1 . 2]" 1
795 1 67 GLN QB 1 68 GLU H . . 3.880 2.498 2.376 2.677 . 0 0 "[ . 1 . 2]" 1
796 1 30 GLU HA 1 33 GLY H . . 4.400 4.018 3.513 4.248 . 0 0 "[ . 1 . 2]" 1
797 1 68 GLU HA 1 71 GLN HG2 . . 3.880 2.931 2.405 3.133 . 0 0 "[ . 1 . 2]" 1
798 1 68 GLU HA 1 68 GLU QG . . 3.500 2.449 2.169 2.811 . 0 0 "[ . 1 . 2]" 1
799 1 21 ARG HA 1 21 ARG HG3 . . 3.950 2.725 2.139 3.222 . 0 0 "[ . 1 . 2]" 1
800 1 21 ARG HA 1 21 ARG HG2 . . 3.950 2.512 2.211 3.488 . 0 0 "[ . 1 . 2]" 1
801 1 72 LYS HA 1 75 ALA H . . 4.120 4.056 3.880 4.131 0.011 12 0 "[ . 1 . 2]" 1
802 1 72 LYS HA 1 72 LYS HG3 . . 3.630 2.940 2.847 3.119 . 0 0 "[ . 1 . 2]" 1
803 1 72 LYS HA 1 72 LYS HG2 . . 3.630 2.495 2.430 2.602 . 0 0 "[ . 1 . 2]" 1
804 1 72 LYS HA 1 75 ALA MB . . 3.270 3.177 3.042 3.288 0.018 2 0 "[ . 1 . 2]" 1
805 1 34 GLU HA 1 37 GLN HG2 . . 4.530 4.263 2.161 4.526 . 0 0 "[ . 1 . 2]" 1
806 1 34 GLU HA 1 34 GLU HG2 . . 3.690 2.631 2.227 3.614 . 0 0 "[ . 1 . 2]" 1
807 1 34 GLU HA 1 34 GLU HG3 . . 3.690 3.233 2.388 3.693 0.003 1 0 "[ . 1 . 2]" 1
808 1 50 HIS HA 1 51 PRO QG . . 4.260 3.881 3.840 3.896 . 0 0 "[ . 1 . 2]" 1
809 1 86 LEU H 1 86 LEU HG . . 4.430 4.138 4.045 4.277 . 0 0 "[ . 1 . 2]" 1
810 1 86 LEU HG 1 93 LEU MD1 . . 4.470 4.344 3.987 4.483 0.013 17 0 "[ . 1 . 2]" 1
811 1 39 PHE HA 1 39 PHE QD . . 3.070 2.899 2.771 3.008 . 0 0 "[ . 1 . 2]" 1
812 1 25 PHE HA 1 25 PHE QD . . 3.330 2.430 2.061 2.914 . 0 0 "[ . 1 . 2]" 1
813 1 74 LEU HA 1 74 LEU HG . . 4.120 3.143 2.989 3.322 . 0 0 "[ . 1 . 2]" 1
814 1 46 ARG HA 1 46 ARG HG3 . . 3.900 2.715 2.419 3.605 . 0 0 "[ . 1 . 2]" 1
815 1 37 GLN HA 1 42 LEU HG . . 4.040 2.736 2.274 2.942 . 0 0 "[ . 1 . 2]" 1
816 1 42 LEU HA 1 42 LEU HG . . 3.900 2.673 2.557 2.778 . 0 0 "[ . 1 . 2]" 1
817 1 79 LEU H 1 79 LEU HG . . 4.060 3.146 1.909 3.883 . 0 0 "[ . 1 . 2]" 1
818 1 79 LEU HG 1 80 GLU H . . 4.340 3.082 2.225 4.362 0.022 12 0 "[ . 1 . 2]" 1
819 1 79 LEU HA 1 79 LEU HG . . 4.120 3.759 3.604 4.275 0.155 20 0 "[ . 1 . 2]" 1
820 1 8 LEU H 1 8 LEU HG . . 3.990 2.801 1.901 3.985 . 0 0 "[ . 1 . 2]" 1
821 1 101 ARG HA 1 101 ARG QG . . 3.920 2.742 2.187 3.429 . 0 0 "[ . 1 . 2]" 1
822 1 77 ALA MB 1 78 SER HA . . 4.880 3.875 3.713 4.091 . 0 0 "[ . 1 . 2]" 1
823 1 78 SER HA 1 81 ALA MB . . 5.500 4.568 4.299 4.880 . 0 0 "[ . 1 . 2]" 1
824 1 67 GLN HA 1 67 GLN HG2 . . 3.750 2.530 2.203 2.689 . 0 0 "[ . 1 . 2]" 1
825 1 67 GLN HA 1 70 ALA MB . . 3.480 3.093 2.799 3.271 . 0 0 "[ . 1 . 2]" 1
826 1 16 LYS HG2 1 67 GLN HA . . 3.850 1.989 1.982 1.999 . 0 0 "[ . 1 . 2]" 1
827 1 16 LYS HG3 1 67 GLN HA . . 3.730 3.715 3.657 3.744 0.014 17 0 "[ . 1 . 2]" 1
828 1 97 LEU H 1 97 LEU HG . . 4.840 4.620 4.617 4.623 . 0 0 "[ . 1 . 2]" 1
829 1 97 LEU HG 1 98 ALA H . . 5.160 5.105 5.062 5.132 . 0 0 "[ . 1 . 2]" 1
830 1 97 LEU HA 1 97 LEU HG . . 4.040 3.786 3.777 3.792 . 0 0 "[ . 1 . 2]" 1
831 1 49 LEU HG 1 57 LYS H . . 5.220 4.878 4.349 5.226 0.006 10 0 "[ . 1 . 2]" 1
832 1 91 ARG HA 1 91 ARG HG2 . . 4.160 2.551 2.322 2.805 . 0 0 "[ . 1 . 2]" 1
833 1 71 GLN HA 1 74 LEU H . . 3.710 3.305 3.174 3.409 . 0 0 "[ . 1 . 2]" 1
834 1 71 GLN HA 1 71 GLN HG2 . . 3.490 3.434 3.367 3.484 . 0 0 "[ . 1 . 2]" 1
835 1 71 GLN HA 1 74 LEU HB2 . . 3.410 3.102 2.895 3.341 . 0 0 "[ . 1 . 2]" 1
836 1 71 GLN HA 1 74 LEU MD1 . . 3.490 2.164 1.958 2.455 . 0 0 "[ . 1 . 2]" 1
837 1 64 PHE QE 1 73 CYS HB3 . . 3.770 2.995 2.300 3.473 . 0 0 "[ . 1 . 2]" 1
838 1 70 ALA HA 1 73 CYS HB3 . . 3.810 2.841 2.668 3.043 . 0 0 "[ . 1 . 2]" 1
839 1 73 CYS H 1 73 CYS HB2 . . 3.410 2.814 2.610 2.971 . 0 0 "[ . 1 . 2]" 1
840 1 64 PHE QE 1 73 CYS HB2 . . 3.770 2.867 2.302 3.252 . 0 0 "[ . 1 . 2]" 1
841 1 70 ALA HA 1 73 CYS HB2 . . 3.810 3.705 3.532 3.805 . 0 0 "[ . 1 . 2]" 1
842 1 88 LEU H 1 93 LEU HG . . 4.650 2.705 2.288 3.116 . 0 0 "[ . 1 . 2]" 1
843 1 87 LYS HA 1 93 LEU HG . . 4.030 2.453 2.124 2.792 . 0 0 "[ . 1 . 2]" 1
844 1 92 GLN HA 1 93 LEU HG . . 4.650 3.669 3.406 4.121 . 0 0 "[ . 1 . 2]" 1
845 1 32 LEU HB3 1 88 LEU MD2 . . 5.440 4.921 4.364 5.163 . 0 0 "[ . 1 . 2]" 1
846 1 88 LEU MD2 1 91 ARG HB2 . . 5.500 4.788 4.472 5.273 . 0 0 "[ . 1 . 2]" 1
847 1 36 LEU MD1 1 64 PHE QE . . 4.250 3.287 2.908 3.704 . 0 0 "[ . 1 . 2]" 1
848 1 36 LEU MD1 1 64 PHE HZ . . 4.700 3.933 3.771 4.253 . 0 0 "[ . 1 . 2]" 1
849 1 36 LEU HA 1 36 LEU MD1 . . 3.940 3.911 3.842 3.949 0.009 14 0 "[ . 1 . 2]" 1
850 1 23 LEU HA 1 23 LEU MD2 . . 3.830 2.133 1.960 2.351 . 0 0 "[ . 1 . 2]" 1
851 1 33 GLY HA2 1 36 LEU MD1 . . 4.270 3.017 2.730 3.406 . 0 0 "[ . 1 . 2]" 1
852 1 36 LEU HB3 1 36 LEU MD1 . . 3.380 2.367 2.303 2.429 . 0 0 "[ . 1 . 2]" 1
853 1 36 LEU MD1 1 42 LEU MD2 . . 4.200 2.447 2.158 2.771 . 0 0 "[ . 1 . 2]" 1
854 1 56 SER HA 1 57 LYS H . . 3.490 2.190 2.138 2.336 . 0 0 "[ . 1 . 2]" 1
855 1 47 VAL MG2 1 56 SER HA . . 3.980 3.564 3.085 3.930 . 0 0 "[ . 1 . 2]" 1
856 1 74 LEU HA 1 77 ALA H . . 4.360 3.116 2.989 3.267 . 0 0 "[ . 1 . 2]" 1
857 1 74 LEU HA 1 95 VAL HB . . 3.740 2.722 2.324 2.935 . 0 0 "[ . 1 . 2]" 1
858 1 74 LEU HA 1 77 ALA MB . . 3.540 2.395 2.096 2.663 . 0 0 "[ . 1 . 2]" 1
859 1 74 LEU HA 1 74 LEU MD2 . . 3.050 2.074 1.991 2.194 . 0 0 "[ . 1 . 2]" 1
860 1 35 VAL MG1 1 36 LEU HG . . 3.830 3.557 3.244 3.743 . 0 0 "[ . 1 . 2]" 1
861 1 32 LEU HG 1 36 LEU HG . . 4.490 4.328 4.058 4.490 0.000 3 0 "[ . 1 . 2]" 1
862 1 23 LEU HA 1 23 LEU MD1 . . 4.020 3.850 3.758 3.889 . 0 0 "[ . 1 . 2]" 1
863 1 23 LEU MD1 1 27 SER QB . . 4.260 3.919 3.395 4.244 . 0 0 "[ . 1 . 2]" 1
864 1 32 LEU HB3 1 32 LEU MD1 . . 3.350 2.400 2.291 2.484 . 0 0 "[ . 1 . 2]" 1
865 1 32 LEU HB2 1 32 LEU MD1 . . 3.090 2.286 2.171 2.380 . 0 0 "[ . 1 . 2]" 1
866 1 32 LEU MD1 1 60 ALA MB . . 2.850 1.808 1.657 1.880 . 0 0 "[ . 1 . 2]" 1
867 1 36 LEU MD1 1 62 ALA H . . 5.500 4.572 4.377 4.783 . 0 0 "[ . 1 . 2]" 1
868 1 16 LYS HG2 1 67 GLN HG2 . . 4.220 2.442 1.985 2.924 . 0 0 "[ . 1 . 2]" 1
869 1 42 LEU MD1 1 44 TYR H . . 5.500 5.290 5.114 5.493 . 0 0 "[ . 1 . 2]" 1
870 1 42 LEU MD1 1 64 PHE QD . . 5.500 5.085 4.756 5.352 . 0 0 "[ . 1 . 2]" 1
871 1 37 GLN HA 1 42 LEU MD1 . . 3.880 2.774 2.513 3.095 . 0 0 "[ . 1 . 2]" 1
872 1 42 LEU HA 1 42 LEU MD1 . . 4.080 3.843 3.816 3.878 . 0 0 "[ . 1 . 2]" 1
873 1 33 GLY HA3 1 42 LEU MD1 . . 3.970 2.651 2.447 2.896 . 0 0 "[ . 1 . 2]" 1
874 1 33 GLY HA2 1 42 LEU MD1 . . 3.830 2.038 1.908 2.285 . 0 0 "[ . 1 . 2]" 1
875 1 37 GLN HG3 1 42 LEU MD1 . . 4.470 2.123 1.926 3.749 . 0 0 "[ . 1 . 2]" 1
876 1 37 GLN HB2 1 42 LEU MD1 . . 4.200 3.470 3.219 3.745 . 0 0 "[ . 1 . 2]" 1
877 1 37 GLN HB3 1 42 LEU MD1 . . 4.200 3.908 2.419 4.196 . 0 0 "[ . 1 . 2]" 1
878 1 42 LEU HB2 1 42 LEU MD1 . . 3.490 2.063 1.987 2.173 . 0 0 "[ . 1 . 2]" 1
879 1 42 LEU MD1 1 64 PHE QE . . 4.780 4.291 3.718 4.681 . 0 0 "[ . 1 . 2]" 1
880 1 42 LEU MD1 1 64 PHE HZ . . 5.260 4.480 4.222 4.900 . 0 0 "[ . 1 . 2]" 1
881 1 43 LYS HA 1 43 LYS HD2 . . 3.830 2.787 2.206 3.726 . 0 0 "[ . 1 . 2]" 1
882 1 43 LYS HA 1 43 LYS HD3 . . 3.830 3.163 2.233 3.680 . 0 0 "[ . 1 . 2]" 1
883 1 43 LYS HA 1 43 LYS HG3 . . 3.310 2.979 2.876 3.146 . 0 0 "[ . 1 . 2]" 1
884 1 43 LYS HA 1 65 MET ME . . 3.840 3.106 2.308 3.811 . 0 0 "[ . 1 . 2]" 1
885 1 74 LEU MD1 1 97 LEU H . . 4.470 2.814 2.416 3.092 . 0 0 "[ . 1 . 2]" 1
886 1 74 LEU MD1 1 96 ASP HA . . 4.660 3.372 3.085 3.577 . 0 0 "[ . 1 . 2]" 1
887 1 74 LEU MD1 1 97 LEU HA . . 4.710 3.954 3.495 4.236 . 0 0 "[ . 1 . 2]" 1
888 1 74 LEU HB2 1 74 LEU MD1 . . 2.980 2.269 2.128 2.388 . 0 0 "[ . 1 . 2]" 1
889 1 74 LEU HB3 1 74 LEU MD1 . . 3.190 2.409 2.299 2.559 . 0 0 "[ . 1 . 2]" 1
890 1 74 LEU HA 1 74 LEU MD1 . . 4.590 3.908 3.876 3.936 . 0 0 "[ . 1 . 2]" 1
891 1 14 GLU HA 1 14 GLU HG2 . . 3.920 3.259 2.462 3.867 . 0 0 "[ . 1 . 2]" 1
892 1 14 GLU HA 1 14 GLU HG3 . . 3.920 2.981 2.235 3.913 . 0 0 "[ . 1 . 2]" 1
893 1 54 GLU HA 1 54 GLU HG2 . . 3.980 2.940 2.205 3.738 . 0 0 "[ . 1 . 2]" 1
894 1 32 LEU HA 1 32 LEU HG . . 3.620 2.571 2.519 2.621 . 0 0 "[ . 1 . 2]" 1
895 1 32 LEU HA 1 35 VAL MG2 . . 3.230 2.681 2.412 3.092 . 0 0 "[ . 1 . 2]" 1
896 1 32 LEU HA 1 88 LEU MD2 . . 3.550 3.066 2.257 3.405 . 0 0 "[ . 1 . 2]" 1
897 1 31 ALA MB 1 32 LEU HA . . 3.940 3.712 3.607 3.860 . 0 0 "[ . 1 . 2]" 1
898 1 32 LEU HA 1 88 LEU MD1 . . 3.470 3.278 2.761 3.473 0.003 11 0 "[ . 1 . 2]" 1
899 1 32 LEU HA 1 32 LEU MD1 . . 4.000 3.793 3.747 3.831 . 0 0 "[ . 1 . 2]" 1
900 1 38 GLN HA 1 38 GLN HG2 . . 3.930 3.775 3.649 3.835 . 0 0 "[ . 1 . 2]" 1
901 1 38 GLN HA 1 38 GLN HG3 . . 3.930 3.679 3.605 3.867 . 0 0 "[ . 1 . 2]" 1
902 1 43 LYS HA 1 43 LYS HG2 . . 4.120 3.875 3.854 3.889 . 0 0 "[ . 1 . 2]" 1
903 1 36 LEU HA 1 39 PHE QD . . 3.310 2.285 2.037 2.561 . 0 0 "[ . 1 . 2]" 1
904 1 36 LEU HA 1 64 PHE HZ . . 3.600 3.273 3.040 3.435 . 0 0 "[ . 1 . 2]" 1
905 1 36 LEU HA 1 39 PHE QE . . 3.580 2.957 2.413 3.449 . 0 0 "[ . 1 . 2]" 1
906 1 36 LEU HA 1 36 LEU HG . . 3.660 3.215 3.136 3.259 . 0 0 "[ . 1 . 2]" 1
907 1 35 VAL MG1 1 36 LEU HA . . 3.710 3.508 3.268 3.710 . 0 0 "[ . 1 . 2]" 1
908 1 36 LEU HA 1 36 LEU MD2 . . 3.060 2.242 2.034 2.385 . 0 0 "[ . 1 . 2]" 1
909 1 39 PHE QE 1 86 LEU MD1 . . 3.720 3.320 2.668 3.694 . 0 0 "[ . 1 . 2]" 1
910 1 39 PHE HZ 1 86 LEU MD1 . . 3.570 2.320 1.910 2.791 . 0 0 "[ . 1 . 2]" 1
911 1 80 GLU HA 1 80 GLU QG . . 3.460 2.883 2.263 3.446 . 0 0 "[ . 1 . 2]" 1
912 1 87 LYS HA 1 87 LYS HG2 . . 3.860 2.300 2.195 2.413 . 0 0 "[ . 1 . 2]" 1
913 1 47 VAL H 1 60 ALA MB . . 4.490 4.074 3.845 4.239 . 0 0 "[ . 1 . 2]" 1
914 1 48 VAL H 1 60 ALA MB . . 4.130 3.417 3.306 3.663 . 0 0 "[ . 1 . 2]" 1
915 1 47 VAL HA 1 60 ALA MB . . 3.330 2.089 1.955 2.234 . 0 0 "[ . 1 . 2]" 1
916 1 20 ILE HB 1 60 ALA MB . . 3.140 2.924 2.675 3.145 0.005 18 0 "[ . 1 . 2]" 1
917 1 23 LEU MD1 1 60 ALA MB . . 3.040 1.915 1.748 2.076 . 0 0 "[ . 1 . 2]" 1
918 1 39 PHE QE 1 86 LEU MD2 . . 3.750 2.285 1.910 2.766 . 0 0 "[ . 1 . 2]" 1
919 1 86 LEU HB2 1 86 LEU MD2 . . 3.550 2.444 2.278 2.536 . 0 0 "[ . 1 . 2]" 1
920 1 94 LYS HA 1 94 LYS QG . . 3.530 2.190 2.120 2.299 . 0 0 "[ . 1 . 2]" 1
921 1 93 LEU HA 1 94 LYS QG . . 5.110 4.475 4.251 5.089 . 0 0 "[ . 1 . 2]" 1
922 1 22 ASN HB3 1 94 LYS QG . . 4.710 4.234 4.063 4.580 . 0 0 "[ . 1 . 2]" 1
923 1 94 LYS HB2 1 94 LYS QG . . 2.400 2.265 2.203 2.390 . 0 0 "[ . 1 . 2]" 1
924 1 18 VAL HB 1 74 LEU MD2 . . 4.650 3.898 3.481 4.202 . 0 0 "[ . 1 . 2]" 1
925 1 74 LEU MD2 1 95 VAL HB . . 3.110 2.519 2.263 2.921 . 0 0 "[ . 1 . 2]" 1
926 1 88 LEU H 1 93 LEU MD1 . . 4.630 3.200 2.424 3.987 . 0 0 "[ . 1 . 2]" 1
927 1 93 LEU HA 1 93 LEU MD1 . . 4.080 3.926 3.731 3.989 . 0 0 "[ . 1 . 2]" 1
928 1 88 LEU HB2 1 93 LEU MD1 . . 3.410 1.947 1.809 2.149 . 0 0 "[ . 1 . 2]" 1
929 1 93 LEU HB3 1 93 LEU MD1 . . 3.320 2.430 2.209 2.626 . 0 0 "[ . 1 . 2]" 1
930 1 16 LYS HA 1 67 GLN HA . . 3.930 3.711 3.483 3.852 . 0 0 "[ . 1 . 2]" 1
931 1 16 LYS HA 1 16 LYS HG2 . . 3.490 3.074 3.050 3.099 . 0 0 "[ . 1 . 2]" 1
932 1 16 LYS HA 1 16 LYS HG3 . . 3.550 3.124 3.060 3.205 . 0 0 "[ . 1 . 2]" 1
933 1 16 LYS HA 1 97 LEU MD2 . . 3.710 2.745 2.597 2.851 . 0 0 "[ . 1 . 2]" 1
934 1 97 LEU H 1 97 LEU MD1 . . 4.450 4.094 4.084 4.107 . 0 0 "[ . 1 . 2]" 1
935 1 97 LEU MD1 1 98 ALA H . . 3.980 2.400 2.350 2.445 . 0 0 "[ . 1 . 2]" 1
936 1 97 LEU HA 1 97 LEU MD1 . . 3.550 2.191 2.132 2.275 . 0 0 "[ . 1 . 2]" 1
937 1 15 GLY HA3 1 97 LEU MD1 . . 5.500 5.528 5.519 5.541 0.041 11 0 "[ . 1 . 2]" 1
938 1 18 VAL HA 1 97 LEU MD2 . . 5.250 3.996 3.918 4.048 . 0 0 "[ . 1 . 2]" 1
939 1 97 LEU HB2 1 97 LEU MD2 . . 3.190 2.219 2.199 2.243 . 0 0 "[ . 1 . 2]" 1
940 1 71 GLN HA 1 74 LEU MD2 . . 5.130 4.242 3.882 4.603 . 0 0 "[ . 1 . 2]" 1
941 1 42 LEU MD2 1 43 LYS H . . 4.650 3.370 3.055 3.626 . 0 0 "[ . 1 . 2]" 1
942 1 42 LEU H 1 42 LEU MD2 . . 4.480 4.120 3.936 4.340 . 0 0 "[ . 1 . 2]" 1
943 1 42 LEU MD2 1 63 GLN H . . 4.790 2.709 2.287 2.941 . 0 0 "[ . 1 . 2]" 1
944 1 42 LEU MD2 1 64 PHE QE . . 4.050 3.227 2.961 3.522 . 0 0 "[ . 1 . 2]" 1
945 1 42 LEU MD2 1 64 PHE HZ . . 4.480 3.592 3.269 3.965 . 0 0 "[ . 1 . 2]" 1
946 1 42 LEU MD2 1 44 TYR H . . 3.970 3.766 3.544 3.970 . 0 0 "[ . 1 . 2]" 1
947 1 42 LEU MD2 1 64 PHE QD . . 4.350 3.330 3.143 3.487 . 0 0 "[ . 1 . 2]" 1
948 1 42 LEU MD2 1 62 ALA HA . . 4.060 3.982 3.809 4.070 0.010 10 0 "[ . 1 . 2]" 1
949 1 42 LEU MD2 1 45 VAL HA . . 4.240 4.156 4.000 4.242 0.002 18 0 "[ . 1 . 2]" 1
950 1 42 LEU HA 1 42 LEU MD2 . . 3.430 2.269 2.061 2.557 . 0 0 "[ . 1 . 2]" 1
951 1 36 LEU HB2 1 42 LEU MD2 . . 3.840 2.403 2.125 2.596 . 0 0 "[ . 1 . 2]" 1
952 1 42 LEU MD2 1 45 VAL HB . . 4.320 3.361 3.184 3.726 . 0 0 "[ . 1 . 2]" 1
953 1 36 LEU HB3 1 42 LEU MD2 . . 3.810 2.705 2.391 2.993 . 0 0 "[ . 1 . 2]" 1
954 1 42 LEU HB2 1 42 LEU MD2 . . 3.580 3.158 3.115 3.189 . 0 0 "[ . 1 . 2]" 1
955 1 42 LEU HB3 1 42 LEU MD2 . . 3.160 2.210 2.032 2.303 . 0 0 "[ . 1 . 2]" 1
956 1 42 LEU MD2 1 62 ALA MB . . 3.000 2.184 2.045 2.338 . 0 0 "[ . 1 . 2]" 1
957 1 32 LEU MD2 1 42 LEU MD2 . . 4.400 4.062 3.872 4.379 . 0 0 "[ . 1 . 2]" 1
958 1 97 LEU HA 1 97 LEU MD2 . . 3.010 2.387 2.309 2.441 . 0 0 "[ . 1 . 2]" 1
959 1 17 THR MG 1 97 LEU HA . . 4.080 3.459 3.392 3.620 . 0 0 "[ . 1 . 2]" 1
960 1 97 LEU HA 1 98 ALA MB . . 4.540 4.007 3.994 4.026 . 0 0 "[ . 1 . 2]" 1
961 1 74 LEU MD2 1 97 LEU HA . . 3.750 3.651 3.271 3.762 0.012 17 0 "[ . 1 . 2]" 1
962 1 79 LEU HA 1 79 LEU HB3 . . 3.000 2.466 2.270 2.632 . 0 0 "[ . 1 . 2]" 1
963 1 79 LEU HA 1 79 LEU MD2 . . 4.270 3.684 3.230 4.132 . 0 0 "[ . 1 . 2]" 1
964 1 88 LEU H 1 92 GLN HA . . 4.550 4.162 3.807 4.581 0.031 17 0 "[ . 1 . 2]" 1
965 1 87 LYS HG3 1 92 GLN HA . . 3.810 3.688 3.461 3.786 . 0 0 "[ . 1 . 2]" 1
966 1 87 LYS QD 1 92 GLN HA . . 3.620 3.338 2.743 3.616 . 0 0 "[ . 1 . 2]" 1
967 1 87 LYS HG2 1 92 GLN HA . . 3.460 2.017 1.958 2.134 . 0 0 "[ . 1 . 2]" 1
968 1 22 ASN HB3 1 93 LEU HA . . 3.890 3.228 2.898 3.521 . 0 0 "[ . 1 . 2]" 1
969 1 64 PHE QE 1 70 ALA HA . . 3.820 2.874 2.460 3.200 . 0 0 "[ . 1 . 2]" 1
970 1 18 VAL MG1 1 70 ALA HA . . 4.070 2.416 2.290 2.573 . 0 0 "[ . 1 . 2]" 1
971 1 64 PHE QD 1 70 ALA HA . . 3.760 2.559 1.997 2.979 . 0 0 "[ . 1 . 2]" 1
972 1 79 LEU MD2 1 80 GLU H . . 5.400 2.855 1.882 4.560 . 0 0 "[ . 1 . 2]" 1
973 1 28 GLU HA 1 29 GLU H . . 3.110 2.264 2.178 2.539 . 0 0 "[ . 1 . 2]" 1
974 1 28 GLU HA 1 47 VAL MG1 . . 4.020 3.808 3.524 3.972 . 0 0 "[ . 1 . 2]" 1
975 1 22 ASN HB2 1 93 LEU HA . . 4.910 4.724 4.396 4.912 0.002 3 0 "[ . 1 . 2]" 1
976 1 39 PHE HB3 1 69 ALA HA . . 4.340 3.521 3.177 3.974 . 0 0 "[ . 1 . 2]" 1
977 1 35 VAL MG2 1 88 LEU HA . . 4.970 4.694 3.931 4.973 0.003 10 0 "[ . 1 . 2]" 1
978 1 34 GLU HB3 1 35 VAL MG2 . . 4.290 3.923 3.729 4.115 . 0 0 "[ . 1 . 2]" 1
979 1 31 ALA MB 1 35 VAL MG2 . . 4.150 3.374 3.030 3.749 . 0 0 "[ . 1 . 2]" 1
980 1 35 VAL MG2 1 93 LEU MD1 . . 4.320 3.657 3.326 3.997 . 0 0 "[ . 1 . 2]" 1
981 1 35 VAL MG2 1 38 GLN HE21 . . 4.840 4.500 4.171 4.708 . 0 0 "[ . 1 . 2]" 1
982 1 88 LEU MD1 1 89 ASP H . . 4.180 3.867 3.192 4.173 . 0 0 "[ . 1 . 2]" 1
983 1 88 LEU HA 1 88 LEU HG . . 3.770 2.613 2.497 3.082 . 0 0 "[ . 1 . 2]" 1
984 1 44 TYR H 1 62 ALA MB . . 5.500 4.505 4.336 4.761 . 0 0 "[ . 1 . 2]" 1
985 1 62 ALA MB 1 64 PHE QD . . 5.500 4.445 4.173 4.941 . 0 0 "[ . 1 . 2]" 1
986 1 45 VAL HA 1 62 ALA MB . . 3.720 2.577 2.303 2.760 . 0 0 "[ . 1 . 2]" 1
987 1 75 ALA HA 1 78 SER H . . 4.570 3.737 3.560 4.000 . 0 0 "[ . 1 . 2]" 1
988 1 31 ALA HA 1 34 GLU HB2 . . 3.370 2.508 2.302 2.730 . 0 0 "[ . 1 . 2]" 1
989 1 23 LEU HA 1 23 LEU HG . . 3.440 2.861 2.770 3.186 . 0 0 "[ . 1 . 2]" 1
990 1 23 LEU HA 1 93 LEU MD2 . . 3.450 2.764 2.462 3.047 . 0 0 "[ . 1 . 2]" 1
991 1 45 VAL MG1 1 46 ARG H . . 4.400 4.250 4.157 4.298 . 0 0 "[ . 1 . 2]" 1
992 1 33 GLY HA3 1 45 VAL MG1 . . 3.270 2.778 2.517 3.110 . 0 0 "[ . 1 . 2]" 1
993 1 29 GLU HA 1 32 LEU MD2 . . 4.620 4.166 3.893 4.491 . 0 0 "[ . 1 . 2]" 1
994 1 29 GLU HA 1 45 VAL MG1 . . 4.890 4.294 4.097 4.621 . 0 0 "[ . 1 . 2]" 1
995 1 32 LEU MD2 1 33 GLY HA2 . . 3.840 2.538 2.383 2.722 . 0 0 "[ . 1 . 2]" 1
996 1 42 LEU MD2 1 45 VAL MG1 . . 4.750 4.314 4.099 4.706 . 0 0 "[ . 1 . 2]" 1
997 1 45 VAL MG1 1 62 ALA HA . . 5.210 5.071 4.919 5.217 0.007 18 0 "[ . 1 . 2]" 1
998 1 45 VAL HA 1 45 VAL MG1 . . 3.590 3.178 3.166 3.195 . 0 0 "[ . 1 . 2]" 1
999 1 32 LEU H 1 32 LEU MD2 . . 4.520 4.163 4.099 4.249 . 0 0 "[ . 1 . 2]" 1
1000 1 32 LEU HA 1 32 LEU MD2 . . 3.250 3.001 2.766 3.065 . 0 0 "[ . 1 . 2]" 1
1001 1 32 LEU MD2 1 35 VAL HB . . 3.860 3.677 3.503 3.810 . 0 0 "[ . 1 . 2]" 1
1002 1 49 LEU HA 1 49 LEU MD2 . . 3.280 2.360 2.104 2.576 . 0 0 "[ . 1 . 2]" 1
1003 1 49 LEU MD2 1 56 SER HA . . 3.500 2.057 1.882 2.297 . 0 0 "[ . 1 . 2]" 1
1004 1 93 LEU H 1 93 LEU MD2 . . 3.890 3.332 2.788 3.727 . 0 0 "[ . 1 . 2]" 1
1005 1 93 LEU HA 1 93 LEU MD2 . . 3.150 2.182 2.004 2.380 . 0 0 "[ . 1 . 2]" 1
1006 1 22 ASN HB3 1 93 LEU MD2 . . 4.440 3.968 3.718 4.096 . 0 0 "[ . 1 . 2]" 1
1007 1 91 ARG HB2 1 93 LEU MD2 . . 3.740 3.262 2.880 3.638 . 0 0 "[ . 1 . 2]" 1
1008 1 88 LEU HB3 1 93 LEU MD2 . . 3.140 2.319 2.001 2.637 . 0 0 "[ . 1 . 2]" 1
1009 1 88 LEU HB2 1 93 LEU MD2 . . 3.430 2.330 1.994 2.661 . 0 0 "[ . 1 . 2]" 1
1010 1 93 LEU HB3 1 93 LEU MD2 . . 3.430 2.322 2.192 2.486 . 0 0 "[ . 1 . 2]" 1
1011 1 86 LEU HA 1 86 LEU HG . . 3.980 2.409 2.340 2.535 . 0 0 "[ . 1 . 2]" 1
1012 1 86 LEU HA 1 86 LEU MD2 . . 3.920 3.745 3.699 3.803 . 0 0 "[ . 1 . 2]" 1
1013 1 36 LEU MD2 1 64 PHE HZ . . 3.310 3.285 2.925 3.323 0.013 10 0 "[ . 1 . 2]" 1
1014 1 36 LEU MD2 1 42 LEU MD2 . . 5.500 4.066 3.817 4.322 . 0 0 "[ . 1 . 2]" 1
1015 1 47 VAL MG1 1 60 ALA HA . . 5.090 5.002 4.876 5.091 0.001 10 0 "[ . 1 . 2]" 1
1016 1 47 VAL H 1 47 VAL MG1 . . 3.460 1.945 1.878 2.063 . 0 0 "[ . 1 . 2]" 1
1017 1 46 ARG HA 1 47 VAL MG1 . . 4.280 3.544 3.310 3.726 . 0 0 "[ . 1 . 2]" 1
1018 1 47 VAL HA 1 47 VAL MG1 . . 3.370 3.187 3.170 3.200 . 0 0 "[ . 1 . 2]" 1
1019 1 19 PHE H 1 95 VAL MG1 . . 3.860 3.030 2.891 3.243 . 0 0 "[ . 1 . 2]" 1
1020 1 95 VAL MG1 1 96 ASP H . . 3.500 2.384 2.224 2.510 . 0 0 "[ . 1 . 2]" 1
1021 1 95 VAL H 1 95 VAL MG1 . . 3.890 3.824 3.804 3.840 . 0 0 "[ . 1 . 2]" 1
1022 1 18 VAL HA 1 95 VAL MG1 . . 4.200 3.103 3.021 3.208 . 0 0 "[ . 1 . 2]" 1
1023 1 95 VAL MG1 1 96 ASP HA . . 4.530 3.631 3.519 3.725 . 0 0 "[ . 1 . 2]" 1
1024 1 74 LEU HA 1 95 VAL MG1 . . 3.670 3.271 3.003 3.536 . 0 0 "[ . 1 . 2]" 1
1025 1 74 LEU HG 1 95 VAL MG1 . . 3.710 3.415 3.009 3.704 . 0 0 "[ . 1 . 2]" 1
1026 1 100 THR HA 1 100 THR MG . . 3.500 2.433 2.164 3.206 . 0 0 "[ . 1 . 2]" 1
1027 1 100 THR H 1 100 THR MG . . 4.180 3.368 1.898 3.824 . 0 0 "[ . 1 . 2]" 1
1028 1 100 THR MG 1 101 ARG H . . 4.430 3.306 1.912 4.205 . 0 0 "[ . 1 . 2]" 1
1029 1 48 VAL MG1 1 61 PHE H . . 4.870 4.542 4.182 4.851 . 0 0 "[ . 1 . 2]" 1
1030 1 48 VAL MG1 1 61 PHE QE . . 3.180 2.666 2.247 3.032 . 0 0 "[ . 1 . 2]" 1
1031 1 19 PHE QE 1 48 VAL MG1 . . 4.200 3.610 3.241 3.991 . 0 0 "[ . 1 . 2]" 1
1032 1 48 VAL HA 1 48 VAL MG1 . . 3.410 3.195 3.177 3.203 . 0 0 "[ . 1 . 2]" 1
1033 1 48 VAL MG1 1 59 CYS HB3 . . 4.770 4.293 3.709 4.709 . 0 0 "[ . 1 . 2]" 1
1034 1 91 ARG HA 1 91 ARG HD3 . . 3.860 3.057 2.406 3.871 0.011 13 0 "[ . 1 . 2]" 1
1035 1 17 THR MG 1 61 PHE HB3 . . 4.130 3.712 3.548 3.837 . 0 0 "[ . 1 . 2]" 1
1036 1 17 THR MG 1 18 VAL H . . 3.550 1.786 1.758 1.854 . 0 0 "[ . 1 . 2]" 1
1037 1 17 THR MG 1 61 PHE QD . . 4.180 3.603 3.301 3.865 . 0 0 "[ . 1 . 2]" 1
1038 1 17 THR HA 1 17 THR MG . . 3.370 2.444 2.378 2.479 . 0 0 "[ . 1 . 2]" 1
1039 1 17 THR MG 1 18 VAL HA . . 3.590 3.094 3.045 3.296 . 0 0 "[ . 1 . 2]" 1
1040 1 17 THR MG 1 63 GLN HA . . 4.090 4.086 4.045 4.107 0.017 17 0 "[ . 1 . 2]" 1
1041 1 17 THR MG 1 63 GLN HG3 . . 4.880 4.386 4.097 4.544 . 0 0 "[ . 1 . 2]" 1
1042 1 66 THR MG 1 69 ALA H . . 4.900 4.418 4.341 4.577 . 0 0 "[ . 1 . 2]" 1
1043 1 66 THR HA 1 66 THR MG . . 3.080 2.274 2.181 2.436 . 0 0 "[ . 1 . 2]" 1
1044 1 65 MET HB2 1 66 THR MG . . 3.720 3.476 2.874 3.654 . 0 0 "[ . 1 . 2]" 1
1045 1 65 MET HB3 1 66 THR MG . . 3.720 3.010 2.598 3.305 . 0 0 "[ . 1 . 2]" 1
1046 1 35 VAL MG1 1 38 GLN HE21 . . 3.890 2.931 2.291 3.290 . 0 0 "[ . 1 . 2]" 1
1047 1 35 VAL HA 1 35 VAL MG1 . . 3.370 2.337 2.229 2.484 . 0 0 "[ . 1 . 2]" 1
1048 1 35 VAL MG1 1 38 GLN HE22 . . 4.080 3.021 2.558 3.448 . 0 0 "[ . 1 . 2]" 1
1049 1 53 THR H 1 53 THR MG . . 3.640 2.292 1.999 2.711 . 0 0 "[ . 1 . 2]" 1
1050 1 53 THR HA 1 53 THR MG . . 3.470 2.979 2.301 3.206 . 0 0 "[ . 1 . 2]" 1
1051 1 53 THR MG 1 54 GLU H . . 4.440 3.261 2.561 3.886 . 0 0 "[ . 1 . 2]" 1
1052 1 98 ALA HA 1 99 VAL MG1 . . 5.500 4.366 3.445 5.495 . 0 0 "[ . 1 . 2]" 1
1053 1 99 VAL HA 1 99 VAL MG1 . . 3.630 2.849 2.343 3.203 . 0 0 "[ . 1 . 2]" 1
1054 1 12 VAL HA 1 12 VAL MG1 . . 3.730 2.729 2.037 3.202 . 0 0 "[ . 1 . 2]" 1
1055 1 95 VAL H 1 95 VAL MG2 . . 3.660 2.320 2.221 2.439 . 0 0 "[ . 1 . 2]" 1
1056 1 94 LYS HA 1 95 VAL MG2 . . 3.800 3.682 3.618 3.784 . 0 0 "[ . 1 . 2]" 1
1057 1 77 ALA MB 1 95 VAL MG2 . . 2.890 2.065 1.842 2.254 . 0 0 "[ . 1 . 2]" 1
1058 1 93 LEU HB3 1 95 VAL MG2 . . 3.420 3.320 3.120 3.423 0.003 2 0 "[ . 1 . 2]" 1
1059 1 47 VAL H 1 47 VAL MG2 . . 4.300 3.814 3.738 3.856 . 0 0 "[ . 1 . 2]" 1
1060 1 47 VAL MG2 1 60 ALA HA . . 5.080 3.171 2.867 3.396 . 0 0 "[ . 1 . 2]" 1
1061 1 47 VAL HA 1 47 VAL MG2 . . 3.010 2.380 2.290 2.473 . 0 0 "[ . 1 . 2]" 1
1062 1 18 VAL MG1 1 98 ALA H . . 4.540 4.399 4.352 4.461 . 0 0 "[ . 1 . 2]" 1
1063 1 18 VAL MG1 1 19 PHE H . . 4.240 4.153 4.085 4.190 . 0 0 "[ . 1 . 2]" 1
1064 1 18 VAL MG1 1 64 PHE QE . . 3.850 1.992 1.974 2.161 . 0 0 "[ . 1 . 2]" 1
1065 1 18 VAL MG1 1 97 LEU HA . . 3.730 3.608 3.518 3.697 . 0 0 "[ . 1 . 2]" 1
1066 1 8 LEU HA 1 8 LEU MD1 . . 4.350 3.598 1.996 4.074 . 0 0 "[ . 1 . 2]" 1
1067 1 64 PHE H 1 69 ALA MB . . 5.500 4.839 4.719 4.971 . 0 0 "[ . 1 . 2]" 1
1068 1 68 GLU H 1 69 ALA MB . . 5.500 4.381 4.202 4.540 . 0 0 "[ . 1 . 2]" 1
1069 1 64 PHE QE 1 69 ALA MB . . 3.930 2.961 2.674 3.435 . 0 0 "[ . 1 . 2]" 1
1070 1 64 PHE QD 1 69 ALA MB . . 3.510 2.093 1.822 2.628 . 0 0 "[ . 1 . 2]" 1
1071 1 40 GLY HA3 1 69 ALA MB . . 3.900 2.308 1.961 2.428 . 0 0 "[ . 1 . 2]" 1
1072 1 64 PHE HB3 1 69 ALA MB . . 3.530 2.031 1.946 2.243 . 0 0 "[ . 1 . 2]" 1
1073 1 39 PHE HB3 1 69 ALA MB . . 4.510 3.815 3.430 4.288 . 0 0 "[ . 1 . 2]" 1
1074 1 69 ALA MB 1 70 ALA MB . . 4.060 3.593 3.532 3.732 . 0 0 "[ . 1 . 2]" 1
1075 1 45 VAL MG2 1 62 ALA HA . . 4.470 3.965 3.758 4.110 . 0 0 "[ . 1 . 2]" 1
1076 1 42 LEU MD2 1 45 VAL MG2 . . 4.670 4.192 4.039 4.293 . 0 0 "[ . 1 . 2]" 1
1077 1 33 GLY H 1 45 VAL MG2 . . 4.160 2.768 2.451 3.053 . 0 0 "[ . 1 . 2]" 1
1078 1 45 VAL H 1 45 VAL MG2 . . 4.060 3.787 3.729 3.849 . 0 0 "[ . 1 . 2]" 1
1079 1 33 GLY HA3 1 45 VAL MG2 . . 3.830 2.911 2.631 3.168 . 0 0 "[ . 1 . 2]" 1
1080 1 29 GLU HA 1 45 VAL MG2 . . 3.940 2.806 2.646 3.005 . 0 0 "[ . 1 . 2]" 1
1081 1 33 GLY HA2 1 45 VAL MG2 . . 4.020 3.013 2.791 3.156 . 0 0 "[ . 1 . 2]" 1
1082 1 29 GLU HB2 1 45 VAL MG2 . . 4.160 4.057 3.946 4.156 . 0 0 "[ . 1 . 2]" 1
1083 1 29 GLU HB3 1 45 VAL MG2 . . 4.030 3.929 3.738 4.037 0.007 18 0 "[ . 1 . 2]" 1
1084 1 32 LEU HB2 1 45 VAL MG2 . . 4.510 4.272 3.865 4.519 0.009 10 0 "[ . 1 . 2]" 1
1085 1 32 LEU HG 1 45 VAL MG2 . . 4.780 4.544 4.216 4.782 0.002 18 0 "[ . 1 . 2]" 1
1086 1 77 ALA HA 1 86 LEU MD1 . . 4.080 2.327 1.978 2.583 . 0 0 "[ . 1 . 2]" 1
1087 1 77 ALA HA 1 85 GLY HA2 . . 3.610 3.260 2.854 3.532 . 0 0 "[ . 1 . 2]" 1
1088 1 12 VAL HA 1 12 VAL MG2 . . 3.730 2.483 2.148 3.203 . 0 0 "[ . 1 . 2]" 1
1089 1 19 PHE HB2 1 98 ALA HA . . 4.440 4.156 3.933 4.352 . 0 0 "[ . 1 . 2]" 1
1090 1 19 PHE HB3 1 98 ALA HA . . 4.440 4.296 4.143 4.442 0.002 5 0 "[ . 1 . 2]" 1
1091 1 99 VAL HA 1 99 VAL MG2 . . 3.630 2.380 2.118 3.201 . 0 0 "[ . 1 . 2]" 1
1092 1 98 ALA HA 1 99 VAL MG2 . . 5.500 4.506 3.174 5.494 . 0 0 "[ . 1 . 2]" 1
1093 1 75 ALA H 1 76 ALA MB . . 4.570 4.486 4.400 4.560 . 0 0 "[ . 1 . 2]" 1
1094 1 76 ALA MB 1 77 ALA H . . 3.100 2.821 2.681 3.010 . 0 0 "[ . 1 . 2]" 1
1095 1 39 PHE QE 1 76 ALA MB . . 3.150 2.126 1.872 2.456 . 0 0 "[ . 1 . 2]" 1
1096 1 39 PHE HZ 1 76 ALA MB . . 3.190 2.035 1.878 2.527 . 0 0 "[ . 1 . 2]" 1
1097 1 73 CYS HA 1 76 ALA MB . . 3.640 2.839 2.526 3.071 . 0 0 "[ . 1 . 2]" 1
1098 1 76 ALA MB 1 86 LEU MD2 . . 3.410 3.212 3.005 3.410 . 20 0 "[ . 1 . 2]" 1
1099 1 98 ALA H 1 98 ALA MB . . 3.300 2.096 2.068 2.122 . 0 0 "[ . 1 . 2]" 1
1100 1 98 ALA MB 1 99 VAL H . . 3.950 2.204 2.005 2.787 . 0 0 "[ . 1 . 2]" 1
1101 1 61 PHE QD 1 98 ALA MB . . 3.370 2.722 2.504 2.891 . 0 0 "[ . 1 . 2]" 1
1102 1 17 THR HB 1 98 ALA MB . . 3.750 3.585 3.430 3.682 . 0 0 "[ . 1 . 2]" 1
1103 1 81 ALA MB 1 82 GLU QG . . 4.430 3.763 2.579 4.431 0.001 15 0 "[ . 1 . 2]" 1
1104 1 81 ALA MB 1 84 GLY H . . 4.370 4.105 3.335 4.369 . 0 0 "[ . 1 . 2]" 1
1105 1 78 SER HB2 1 81 ALA MB . . 3.770 3.480 2.906 3.771 0.001 18 0 "[ . 1 . 2]" 1
1106 1 18 VAL HA 1 98 ALA MB . . 4.250 3.735 3.701 3.764 . 0 0 "[ . 1 . 2]" 1
1107 1 19 PHE HB3 1 98 ALA MB . . 3.650 2.743 2.589 2.939 . 0 0 "[ . 1 . 2]" 1
1108 1 18 VAL HB 1 98 ALA MB . . 5.500 5.515 5.491 5.526 0.026 17 0 "[ . 1 . 2]" 1
1109 1 20 ILE H 1 20 ILE MG . . 3.940 3.831 3.823 3.844 . 0 0 "[ . 1 . 2]" 1
1110 1 20 ILE MG 1 21 ARG H . . 3.590 2.398 2.162 2.611 . 0 0 "[ . 1 . 2]" 1
1111 1 20 ILE MG 1 60 ALA H . . 4.310 4.273 4.118 4.322 0.012 14 0 "[ . 1 . 2]" 1
1112 1 20 ILE HA 1 20 ILE MG . . 3.400 2.225 2.123 2.337 . 0 0 "[ . 1 . 2]" 1
1113 1 20 ILE MG 1 93 LEU HA . . 4.510 3.075 2.800 3.326 . 0 0 "[ . 1 . 2]" 1
1114 1 77 ALA MB 1 86 LEU H . . 4.640 3.738 3.495 4.018 . 0 0 "[ . 1 . 2]" 1
1115 1 77 ALA MB 1 94 LYS HA . . 3.850 3.238 2.869 3.742 . 0 0 "[ . 1 . 2]" 1
1116 1 28 GLU H 1 31 ALA MB . . 3.890 2.418 2.043 2.677 . 0 0 "[ . 1 . 2]" 1
1117 1 27 SER HA 1 31 ALA MB . . 4.490 3.458 3.057 3.765 . 0 0 "[ . 1 . 2]" 1
1118 1 28 GLU HG3 1 31 ALA MB . . 3.860 3.693 3.583 3.830 . 0 0 "[ . 1 . 2]" 1
1119 1 31 ALA MB 1 34 GLU HB2 . . 4.640 4.025 3.837 4.253 . 0 0 "[ . 1 . 2]" 1
1120 1 28 GLU HB2 1 31 ALA MB . . 3.550 2.808 2.405 3.138 . 0 0 "[ . 1 . 2]" 1
1121 1 31 ALA MB 1 32 LEU HB3 . . 4.770 4.657 4.559 4.799 0.029 9 0 "[ . 1 . 2]" 1
1122 1 31 ALA MB 1 88 LEU MD1 . . 3.320 3.118 2.818 3.324 0.004 18 0 "[ . 1 . 2]" 1
1123 1 31 ALA MB 1 88 LEU MD2 . . 3.600 3.045 2.758 3.219 . 0 0 "[ . 1 . 2]" 1
1124 1 102 ASP HA 1 104 ALA MB . . 4.990 4.771 4.347 4.989 . 0 0 "[ . 1 . 2]" 1
1125 1 17 THR HA 1 18 VAL MG2 . . 4.000 3.829 3.753 3.877 . 0 0 "[ . 1 . 2]" 1
1126 1 18 VAL MG2 1 62 ALA H . . 3.980 2.376 2.185 2.521 . 0 0 "[ . 1 . 2]" 1
1127 1 18 VAL MG2 1 64 PHE QE . . 3.510 2.803 2.444 3.320 . 0 0 "[ . 1 . 2]" 1
1128 1 18 VAL MG2 1 64 PHE QD . . 4.500 3.017 2.721 3.473 . 0 0 "[ . 1 . 2]" 1
1129 1 18 VAL MG2 1 20 ILE HG13 . . 3.680 3.655 3.485 3.693 0.013 8 0 "[ . 1 . 2]" 1
1130 1 18 VAL MG2 1 36 LEU MD1 . . 4.270 2.296 2.104 2.537 . 0 0 "[ . 1 . 2]" 1
1131 1 50 HIS HA 1 51 PRO HD2 . . 3.410 2.195 2.114 2.222 . 0 0 "[ . 1 . 2]" 1
1132 1 50 HIS HA 1 51 PRO HD3 . . 3.410 2.253 2.252 2.258 . 0 0 "[ . 1 . 2]" 1
1133 1 8 LEU HA 1 9 PRO HD3 . . 3.090 2.274 2.253 2.295 . 0 0 "[ . 1 . 2]" 1
1134 1 8 LEU HB3 1 9 PRO HD3 . . 4.750 4.283 3.513 4.629 . 0 0 "[ . 1 . 2]" 1
1135 1 8 LEU HA 1 9 PRO HD2 . . 3.340 2.308 2.167 2.388 . 0 0 "[ . 1 . 2]" 1
1136 1 8 LEU HB2 1 9 PRO HD2 . . 3.740 2.495 2.030 3.712 . 0 0 "[ . 1 . 2]" 1
1137 1 8 LEU HB3 1 9 PRO HD2 . . 3.740 3.242 2.076 3.700 . 0 0 "[ . 1 . 2]" 1
1138 1 70 ALA MB 1 71 GLN HA . . 4.880 3.712 3.648 3.761 . 0 0 "[ . 1 . 2]" 1
1139 1 64 PHE QE 1 70 ALA MB . . 4.330 3.911 3.749 4.100 . 0 0 "[ . 1 . 2]" 1
1140 1 64 PHE QD 1 70 ALA MB . . 3.490 2.524 2.155 2.853 . 0 0 "[ . 1 . 2]" 1
1141 1 16 LYS HA 1 70 ALA MB . . 3.530 3.397 3.316 3.505 . 0 0 "[ . 1 . 2]" 1
1142 1 64 PHE HB2 1 70 ALA MB . . 4.150 2.818 2.533 3.038 . 0 0 "[ . 1 . 2]" 1
1143 1 18 VAL MG1 1 70 ALA MB . . 3.200 2.107 1.952 2.255 . 0 0 "[ . 1 . 2]" 1
1144 1 70 ALA MB 1 71 GLN QB . . 5.230 4.367 4.287 4.483 . 0 0 "[ . 1 . 2]" 1
1145 1 64 PHE H 1 70 ALA MB . . 4.840 3.868 3.543 4.165 . 0 0 "[ . 1 . 2]" 1
1146 1 70 ALA MB 1 71 GLN HG2 . . 4.270 3.689 3.600 3.832 . 0 0 "[ . 1 . 2]" 1
1147 1 41 ASP HB2 1 65 MET ME . . 5.280 4.477 3.994 5.210 . 0 0 "[ . 1 . 2]" 1
1148 1 43 LYS HB2 1 65 MET ME . . 5.500 2.839 1.993 3.869 . 0 0 "[ . 1 . 2]" 1
1149 1 43 LYS HG3 1 65 MET ME . . 4.970 4.381 3.670 4.970 0.000 11 0 "[ . 1 . 2]" 1
1150 1 43 LYS QE 1 65 MET ME . . 4.480 3.376 1.919 4.311 . 0 0 "[ . 1 . 2]" 1
1151 1 20 ILE HA 1 20 ILE MD . . 4.120 3.498 3.450 3.561 . 0 0 "[ . 1 . 2]" 1
1152 1 18 VAL HB 1 20 ILE MD . . 4.770 4.032 3.799 4.205 . 0 0 "[ . 1 . 2]" 1
1153 1 20 ILE MD 1 60 ALA H . . 4.760 3.321 3.172 3.692 . 0 0 "[ . 1 . 2]" 1
1154 1 19 PHE HA 1 20 ILE MD . . 4.530 2.839 2.680 3.042 . 0 0 "[ . 1 . 2]" 1
1155 1 20 ILE HB 1 20 ILE MD . . 3.190 2.137 2.089 2.243 . 0 0 "[ . 1 . 2]" 1
1156 1 50 HIS HB3 1 53 THR MG . . 5.020 2.667 1.957 3.925 . 0 0 "[ . 1 . 2]" 1
1157 1 51 PRO HA 1 52 ASP QB . . 5.500 5.120 4.525 5.468 . 0 0 "[ . 1 . 2]" 1
1158 1 51 PRO HA 1 53 THR H . . 5.490 5.025 3.134 5.468 . 0 0 "[ . 1 . 2]" 1
1159 1 51 PRO HD3 1 57 LYS QE . . 5.140 3.071 1.957 4.253 . 0 0 "[ . 1 . 2]" 1
1160 1 53 THR HB 1 55 HIS H . . 5.140 4.282 2.724 5.124 . 0 0 "[ . 1 . 2]" 1
1161 1 23 LEU MD1 1 59 CYS HA . . 4.680 2.197 1.961 2.610 . 0 0 "[ . 1 . 2]" 1
1162 1 60 ALA HA 1 61 PHE HB2 . . 5.500 4.668 4.559 4.758 . 0 0 "[ . 1 . 2]" 1
1163 1 60 ALA HA 1 61 PHE QD . . 5.130 3.154 2.956 3.420 . 0 0 "[ . 1 . 2]" 1
1164 1 47 VAL H 1 60 ALA HA . . 5.500 5.231 4.979 5.372 . 0 0 "[ . 1 . 2]" 1
1165 1 60 ALA MB 1 61 PHE HA . . 5.140 4.057 3.983 4.204 . 0 0 "[ . 1 . 2]" 1
1166 1 20 ILE MD 1 61 PHE HA . . 4.490 3.091 2.924 3.217 . 0 0 "[ . 1 . 2]" 1
1167 1 19 PHE QD 1 61 PHE HA . . 4.590 2.705 2.305 3.769 . 0 0 "[ . 1 . 2]" 1
1168 1 18 VAL H 1 61 PHE HA . . 5.310 4.701 4.516 4.907 . 0 0 "[ . 1 . 2]" 1
1169 1 46 ARG HB3 1 61 PHE HB3 . . 5.500 5.214 4.971 5.451 . 0 0 "[ . 1 . 2]" 1
1170 1 61 PHE HB3 1 98 ALA MB . . 4.930 4.054 3.895 4.161 . 0 0 "[ . 1 . 2]" 1
1171 1 62 ALA MB 1 63 GLN HA . . 4.710 3.826 3.763 3.912 . 0 0 "[ . 1 . 2]" 1
1172 1 63 GLN HA 1 64 PHE HB2 . . 4.970 4.264 4.228 4.303 . 0 0 "[ . 1 . 2]" 1
1173 1 63 GLN HA 1 64 PHE QD . . 4.540 4.019 3.635 4.515 . 0 0 "[ . 1 . 2]" 1
1174 1 16 LYS HA 1 64 PHE HB2 . . 5.500 4.930 4.710 5.125 . 0 0 "[ . 1 . 2]" 1
1175 1 64 PHE HB2 1 65 MET HA . . 5.500 5.326 5.265 5.415 . 0 0 "[ . 1 . 2]" 1
1176 1 66 THR HA 1 67 GLN HA . . 4.660 4.324 4.308 4.345 . 0 0 "[ . 1 . 2]" 1
1177 1 66 THR H 1 67 GLN HA . . 5.480 4.967 4.815 5.095 . 0 0 "[ . 1 . 2]" 1
1178 1 67 GLN HA 1 71 GLN H . . 5.500 4.536 4.324 4.706 . 0 0 "[ . 1 . 2]" 1
1179 1 69 ALA HA 1 73 CYS H . . 4.690 4.510 4.357 4.681 . 0 0 "[ . 1 . 2]" 1
1180 1 69 ALA MB 1 72 LYS HB3 . . 5.500 5.352 5.235 5.496 . 0 0 "[ . 1 . 2]" 1
1181 1 69 ALA MB 1 70 ALA HA . . 5.500 3.599 3.544 3.648 . 0 0 "[ . 1 . 2]" 1
1182 1 70 ALA HA 1 73 CYS HA . . 5.500 5.505 5.435 5.520 0.020 11 0 "[ . 1 . 2]" 1
1183 1 69 ALA HA 1 70 ALA HA . . 5.500 4.854 4.822 4.879 . 0 0 "[ . 1 . 2]" 1
1184 1 70 ALA HA 1 71 GLN HA . . 5.500 4.791 4.766 4.820 . 0 0 "[ . 1 . 2]" 1
1185 1 70 ALA HA 1 74 LEU H . . 4.730 4.623 4.419 4.736 0.006 15 0 "[ . 1 . 2]" 1
1186 1 70 ALA MB 1 71 GLN HG3 . . 5.060 4.933 4.873 4.974 . 0 0 "[ . 1 . 2]" 1
1187 1 71 GLN HG3 1 74 LEU MD1 . . 4.780 4.454 4.260 4.699 . 0 0 "[ . 1 . 2]" 1
1188 1 69 ALA HA 1 72 LYS HG3 . . 4.890 3.544 2.905 3.710 . 0 0 "[ . 1 . 2]" 1
1189 1 39 PHE QD 1 72 LYS HG3 . . 5.200 5.134 4.928 5.203 0.003 11 0 "[ . 1 . 2]" 1
1190 1 74 LEU MD2 1 96 ASP H . . 4.580 3.355 3.114 3.575 . 0 0 "[ . 1 . 2]" 1
1191 1 74 LEU MD2 1 95 VAL H . . 4.710 4.123 3.897 4.454 . 0 0 "[ . 1 . 2]" 1
1192 1 24 SER HB2 1 89 ASP HB2 . . 5.500 3.804 2.811 4.753 . 0 0 "[ . 1 . 2]" 1
1193 1 24 SER HB2 1 89 ASP HB3 . . 5.500 3.994 2.722 5.173 . 0 0 "[ . 1 . 2]" 1
1194 1 87 LYS QD 1 90 GLY HA2 . . 5.100 3.180 2.549 3.674 . 0 0 "[ . 1 . 2]" 1
1195 1 91 ARG HB3 1 92 GLN H . . 4.700 3.386 3.242 3.582 . 0 0 "[ . 1 . 2]" 1
1196 1 91 ARG HB2 1 92 GLN H . . 4.730 4.297 4.131 4.470 . 0 0 "[ . 1 . 2]" 1
1197 1 88 LEU H 1 91 ARG HB3 . . 5.500 4.361 4.031 4.676 . 0 0 "[ . 1 . 2]" 1
1198 1 22 ASN HD21 1 91 ARG HB3 . . 4.820 3.199 2.675 3.844 . 0 0 "[ . 1 . 2]" 1
1199 1 91 ARG HD3 1 93 LEU MD2 . . 5.500 5.341 5.120 5.504 0.004 12 0 "[ . 1 . 2]" 1
1200 1 24 SER HA 1 91 ARG HD2 . . 4.780 3.195 2.077 4.092 . 0 0 "[ . 1 . 2]" 1
1201 1 24 SER HB2 1 91 ARG HD2 . . 5.250 3.463 1.999 5.259 0.009 14 0 "[ . 1 . 2]" 1
1202 1 22 ASN HD22 1 91 ARG HD3 . . 4.540 3.174 2.014 3.931 . 0 0 "[ . 1 . 2]" 1
1203 1 91 ARG HD3 1 92 GLN H . . 5.150 4.252 3.551 5.154 0.004 3 0 "[ . 1 . 2]" 1
1204 1 24 SER H 1 91 ARG HD2 . . 5.500 4.677 3.462 5.477 . 0 0 "[ . 1 . 2]" 1
1205 1 87 LYS HG2 1 92 GLN HG2 . . 5.500 3.075 2.035 4.818 . 0 0 "[ . 1 . 2]" 1
1206 1 87 LYS HG2 1 92 GLN HG3 . . 5.500 4.383 3.216 4.629 . 0 0 "[ . 1 . 2]" 1
1207 1 87 LYS QD 1 92 GLN HG2 . . 5.500 3.870 1.993 5.255 . 0 0 "[ . 1 . 2]" 1
1208 1 87 LYS QD 1 92 GLN HG3 . . 5.500 4.806 3.069 5.510 0.010 14 0 "[ . 1 . 2]" 1
1209 1 92 GLN H 1 92 GLN HG2 . . 5.250 4.098 2.993 4.597 . 0 0 "[ . 1 . 2]" 1
1210 1 22 ASN HB2 1 94 LYS HB2 . . 5.470 3.916 3.746 4.289 . 0 0 "[ . 1 . 2]" 1
1211 1 94 LYS HB2 1 95 VAL H . . 4.920 4.566 4.541 4.582 . 0 0 "[ . 1 . 2]" 1
1212 1 74 LEU MD2 1 96 ASP HB3 . . 5.030 4.364 4.175 4.530 . 0 0 "[ . 1 . 2]" 1
1213 1 19 PHE QD 1 96 ASP HB3 . . 5.450 3.666 3.160 4.133 . 0 0 "[ . 1 . 2]" 1
1214 1 19 PHE H 1 96 ASP HB3 . . 5.450 4.039 3.949 4.114 . 0 0 "[ . 1 . 2]" 1
1215 1 74 LEU MD2 1 96 ASP HB2 . . 5.030 3.859 3.566 4.148 . 0 0 "[ . 1 . 2]" 1
1216 1 19 PHE H 1 96 ASP HB2 . . 5.450 5.115 4.949 5.338 . 0 0 "[ . 1 . 2]" 1
1217 1 102 ASP HB3 1 104 ALA MB . . 5.150 4.041 3.110 5.021 . 0 0 "[ . 1 . 2]" 1
1218 1 102 ASP HB2 1 104 ALA MB . . 5.150 4.003 3.070 4.847 . 0 0 "[ . 1 . 2]" 1
1219 1 46 ARG QD 1 47 VAL H . . 4.770 3.880 2.529 4.745 . 0 0 "[ . 1 . 2]" 1
1220 1 44 TYR QE 1 46 ARG QD . . 4.570 4.130 3.559 4.573 0.003 1 0 "[ . 1 . 2]" 1
1221 1 45 VAL HB 1 46 ARG H . . 4.640 4.259 4.209 4.325 . 0 0 "[ . 1 . 2]" 1
1222 1 43 LYS HB3 1 44 TYR HB3 . . 5.060 3.956 3.904 4.014 . 0 0 "[ . 1 . 2]" 1
1223 1 43 LYS HG2 1 44 TYR HB3 . . 5.380 3.735 3.643 3.755 . 0 0 "[ . 1 . 2]" 1
1224 1 43 LYS HG3 1 44 TYR HB3 . . 4.710 2.526 2.298 2.671 . 0 0 "[ . 1 . 2]" 1
1225 1 43 LYS HB3 1 44 TYR HB2 . . 5.500 5.498 5.442 5.520 0.020 16 0 "[ . 1 . 2]" 1
1226 1 43 LYS HG2 1 44 TYR HB2 . . 5.500 5.489 5.391 5.510 0.010 16 0 "[ . 1 . 2]" 1
1227 1 43 LYS HB3 1 63 GLN HG2 . . 4.270 3.305 3.058 3.529 . 0 0 "[ . 1 . 2]" 1
1228 1 43 LYS HG2 1 44 TYR H . . 4.780 4.168 3.942 4.357 . 0 0 "[ . 1 . 2]" 1
1229 1 43 LYS H 1 43 LYS HG2 . . 4.700 4.556 4.542 4.592 . 0 0 "[ . 1 . 2]" 1
1230 1 43 LYS H 1 43 LYS HG3 . . 5.480 4.349 4.292 4.414 . 0 0 "[ . 1 . 2]" 1
1231 1 43 LYS HG3 1 44 TYR H . . 5.220 3.446 3.021 3.702 . 0 0 "[ . 1 . 2]" 1
1232 1 33 GLY HA2 1 42 LEU MD2 . . 5.190 3.751 3.558 4.020 . 0 0 "[ . 1 . 2]" 1
1233 1 33 GLY HA2 1 36 LEU HB2 . . 4.450 3.135 2.934 3.267 . 0 0 "[ . 1 . 2]" 1
1234 1 28 GLU HG2 1 31 ALA MB . . 4.910 4.826 4.723 4.915 0.005 6 0 "[ . 1 . 2]" 1
1235 1 29 GLU HA 1 30 GLU HA . . 4.870 4.785 4.741 4.816 . 0 0 "[ . 1 . 2]" 1
1236 1 29 GLU HA 1 31 ALA H . . 5.190 4.902 4.566 5.179 . 0 0 "[ . 1 . 2]" 1
1237 1 29 GLU HB3 1 47 VAL H . . 5.410 5.301 4.827 5.413 0.003 10 0 "[ . 1 . 2]" 1
1238 1 29 GLU HB2 1 47 VAL H . . 5.060 3.997 3.432 4.242 . 0 0 "[ . 1 . 2]" 1
1239 1 29 GLU QG 1 32 LEU MD1 . . 4.840 3.957 3.728 4.189 . 0 0 "[ . 1 . 2]" 1
1240 1 29 GLU QG 1 30 GLU HA . . 4.450 4.300 4.098 4.492 0.042 18 0 "[ . 1 . 2]" 1
1241 1 29 GLU QG 1 30 GLU H . . 4.440 4.080 3.918 4.216 . 0 0 "[ . 1 . 2]" 1
1242 1 22 ASN HB2 1 94 LYS QG . . 4.630 4.093 3.865 4.499 . 0 0 "[ . 1 . 2]" 1
1243 1 22 ASN HB2 1 94 LYS H . . 4.700 4.337 3.969 4.683 . 0 0 "[ . 1 . 2]" 1
1244 1 19 PHE HA 1 20 ILE HB . . 5.040 4.804 4.740 4.881 . 0 0 "[ . 1 . 2]" 1
1245 1 18 VAL HA 1 97 LEU HB2 . . 5.190 4.990 4.945 5.031 . 0 0 "[ . 1 . 2]" 1
1246 1 18 VAL HA 1 19 PHE HB3 . . 5.080 4.565 4.443 4.687 . 0 0 "[ . 1 . 2]" 1
1247 1 18 VAL HA 1 19 PHE HB2 . . 5.080 4.633 4.528 4.782 . 0 0 "[ . 1 . 2]" 1
1248 1 16 LYS H 1 17 THR HB . . 5.500 5.554 5.531 5.595 0.095 11 0 "[ . 1 . 2]" 1
1249 1 17 THR HB 1 18 VAL H . . 4.990 3.707 3.650 3.857 . 0 0 "[ . 1 . 2]" 1
1250 1 42 LEU HA 1 64 PHE QD . . 4.520 3.839 3.021 4.183 . 0 0 "[ . 1 . 2]" 1
1251 1 19 PHE QD 1 98 ALA HA . . 5.500 5.284 5.112 5.509 0.009 14 0 "[ . 1 . 2]" 1
1252 1 19 PHE QD 1 60 ALA H . . 5.470 3.679 3.491 4.526 . 0 0 "[ . 1 . 2]" 1
1253 1 19 PHE QD 1 62 ALA H . . 5.500 4.627 4.195 5.453 . 0 0 "[ . 1 . 2]" 1
1254 1 19 PHE QE 1 21 ARG HG2 . . 5.070 2.884 2.377 4.354 . 0 0 "[ . 1 . 2]" 1
1255 1 19 PHE QE 1 21 ARG HG3 . . 5.070 2.363 2.047 3.024 . 0 0 "[ . 1 . 2]" 1
1256 1 19 PHE QE 1 21 ARG HD3 . . 4.490 3.411 2.030 4.370 . 0 0 "[ . 1 . 2]" 1
1257 1 39 PHE HZ 1 73 CYS HA . . 4.740 3.546 3.168 4.376 . 0 0 "[ . 1 . 2]" 1
1258 1 36 LEU HB3 1 64 PHE QE . . 4.220 3.024 2.750 3.195 . 0 0 "[ . 1 . 2]" 1
1259 1 36 LEU HB2 1 64 PHE QE . . 4.330 4.169 3.883 4.335 0.005 17 0 "[ . 1 . 2]" 1
1260 1 36 LEU HA 1 64 PHE QE . . 4.980 4.355 4.158 4.500 . 0 0 "[ . 1 . 2]" 1
1261 1 17 THR HA 1 63 GLN HG2 . . 4.520 3.869 3.714 3.992 . 0 0 "[ . 1 . 2]" 1
1262 1 17 THR HA 1 63 GLN QE . . 5.440 5.083 4.344 5.383 . 0 0 "[ . 1 . 2]" 1
1263 1 17 THR HA 1 64 PHE QD . . 5.500 4.919 4.740 5.289 . 0 0 "[ . 1 . 2]" 1
1264 1 23 LEU H 1 58 GLY HA2 . . 4.810 3.049 2.498 3.612 . 0 0 "[ . 1 . 2]" 1
1265 1 33 GLY HA3 1 36 LEU HB2 . . 4.810 4.671 4.491 4.790 . 0 0 "[ . 1 . 2]" 1
1266 1 39 PHE HB2 1 72 LYS HB2 . . 4.440 4.166 3.587 4.406 . 0 0 "[ . 1 . 2]" 1
1267 1 39 PHE HB2 1 69 ALA MB . . 5.150 3.827 3.506 4.400 . 0 0 "[ . 1 . 2]" 1
1268 1 39 PHE HB2 1 69 ALA HA . . 5.280 4.415 4.108 4.891 . 0 0 "[ . 1 . 2]" 1
1269 1 65 MET HG2 1 66 THR MG . . 5.500 5.337 5.071 5.438 . 0 0 "[ . 1 . 2]" 1
1270 1 24 SER HB2 1 88 LEU HB3 . . 5.500 4.263 3.542 5.441 . 0 0 "[ . 1 . 2]" 1
1271 1 50 HIS HE1 1 53 THR MG . . 5.080 4.316 3.225 5.002 . 0 0 "[ . 1 . 2]" 1
1272 1 50 HIS HE1 1 51 PRO QG . . 5.500 3.544 2.830 4.174 . 0 0 "[ . 1 . 2]" 1
1273 1 50 HIS HE1 1 52 ASP H . . 5.500 3.873 3.268 5.575 0.075 15 0 "[ . 1 . 2]" 1
1274 1 36 LEU MD2 1 39 PHE QD . . 3.900 3.464 2.878 3.777 . 0 0 "[ . 1 . 2]" 1
1275 1 39 PHE QD 1 76 ALA MB . . 4.610 3.777 3.369 4.114 . 0 0 "[ . 1 . 2]" 1
1276 1 39 PHE QD 1 72 LYS HB3 . . 3.700 2.258 2.012 2.408 . 0 0 "[ . 1 . 2]" 1
1277 1 65 MET HG3 1 66 THR MG . . 5.500 5.143 4.658 5.447 . 0 0 "[ . 1 . 2]" 1
1278 1 25 PHE HA 1 56 SER HB2 . . 3.750 2.945 2.062 3.730 . 0 0 "[ . 1 . 2]" 1
1279 1 25 PHE HA 1 56 SER HB3 . . 3.750 2.938 1.998 3.735 . 0 0 "[ . 1 . 2]" 1
1280 1 35 VAL HB 1 37 GLN H . . 5.500 4.763 4.524 5.117 . 0 0 "[ . 1 . 2]" 1
1281 1 34 GLU H 1 35 VAL HB . . 5.500 5.044 4.836 5.263 . 0 0 "[ . 1 . 2]" 1
1282 1 27 SER QB 1 31 ALA MB . . 4.810 4.299 3.576 4.698 . 0 0 "[ . 1 . 2]" 1
1283 1 24 SER HA 1 27 SER QB . . 4.930 4.548 4.363 4.936 0.006 16 0 "[ . 1 . 2]" 1
1284 1 24 SER H 1 27 SER QB . . 4.300 2.732 2.355 3.296 . 0 0 "[ . 1 . 2]" 1
1285 1 33 GLY HA2 1 36 LEU HB3 . . 4.970 4.825 4.632 4.938 . 0 0 "[ . 1 . 2]" 1
1286 1 36 LEU HG 1 64 PHE QE . . 5.500 5.402 5.238 5.506 0.006 15 0 "[ . 1 . 2]" 1
1287 1 36 LEU HG 1 64 PHE HZ . . 5.500 5.150 4.994 5.259 . 0 0 "[ . 1 . 2]" 1
1288 1 36 LEU HG 1 42 LEU MD2 . . 5.040 4.182 3.898 4.434 . 0 0 "[ . 1 . 2]" 1
1289 1 35 VAL HB 1 36 LEU HG . . 4.820 3.076 2.952 3.321 . 0 0 "[ . 1 . 2]" 1
1290 1 33 GLY HA2 1 36 LEU HG . . 5.170 3.442 3.206 3.784 . 0 0 "[ . 1 . 2]" 1
1291 1 50 HIS HD2 1 53 THR MG . . 5.500 4.654 3.670 5.427 . 0 0 "[ . 1 . 2]" 1
1292 1 50 HIS H 1 50 HIS HD2 . . 4.890 4.525 4.395 4.987 0.097 15 0 "[ . 1 . 2]" 1
1293 1 101 ARG H 1 101 ARG QG . . 5.020 3.361 1.902 4.383 . 0 0 "[ . 1 . 2]" 1
1294 1 101 ARG QG 1 102 ASP H . . 5.400 3.409 2.255 4.639 . 0 0 "[ . 1 . 2]" 1
1295 1 48 VAL H 1 49 LEU MD2 . . 5.500 5.211 4.519 5.502 0.002 20 0 "[ . 1 . 2]" 1
1296 1 49 LEU MD2 1 50 HIS H . . 4.450 3.491 3.178 3.888 . 0 0 "[ . 1 . 2]" 1
1297 1 49 LEU HB3 1 49 LEU MD1 . . 3.540 2.512 2.342 2.634 . 0 0 "[ . 1 . 2]" 1
1298 1 49 LEU H 1 49 LEU MD1 . . 4.340 3.684 3.443 4.019 . 0 0 "[ . 1 . 2]" 1
1299 1 48 VAL HB 1 60 ALA HA . . 4.940 4.396 4.106 4.688 . 0 0 "[ . 1 . 2]" 1
1300 1 32 LEU MD1 1 47 VAL HA . . 4.880 4.043 3.758 4.237 . 0 0 "[ . 1 . 2]" 1
1301 1 47 VAL HA 1 48 VAL HB . . 4.980 4.647 4.548 4.737 . 0 0 "[ . 1 . 2]" 1
1302 1 32 LEU MD1 1 47 VAL HB . . 4.980 2.851 2.413 3.059 . 0 0 "[ . 1 . 2]" 1
1303 1 32 LEU MD1 1 47 VAL MG2 . . 3.900 3.266 2.901 3.558 . 0 0 "[ . 1 . 2]" 1
1304 1 23 LEU MD1 1 47 VAL MG2 . . 3.370 2.624 2.228 3.056 . 0 0 "[ . 1 . 2]" 1
1305 1 47 VAL MG2 1 49 LEU MD2 . . 3.660 2.619 2.002 3.330 . 0 0 "[ . 1 . 2]" 1
1306 1 46 ARG HA 1 60 ALA MB . . 5.070 4.843 4.588 5.006 . 0 0 "[ . 1 . 2]" 1
1307 1 45 VAL HA 1 46 ARG HA . . 4.990 4.392 4.389 4.398 . 0 0 "[ . 1 . 2]" 1
1308 1 46 ARG HA 1 47 VAL HA . . 5.500 4.396 4.389 4.400 . 0 0 "[ . 1 . 2]" 1
1309 1 46 ARG HB3 1 61 PHE QD . . 5.340 4.243 3.761 4.594 . 0 0 "[ . 1 . 2]" 1
1310 1 45 VAL MG2 1 46 ARG HB3 . . 5.410 5.102 4.996 5.206 . 0 0 "[ . 1 . 2]" 1
1311 1 45 VAL MG2 1 46 ARG HB2 . . 5.190 4.870 4.702 4.982 . 0 0 "[ . 1 . 2]" 1
1312 1 94 LYS HB3 1 95 VAL H . . 4.190 3.841 3.768 3.870 . 0 0 "[ . 1 . 2]" 1
1313 1 33 GLY HA3 1 45 VAL HB . . 5.380 3.486 3.323 3.700 . 0 0 "[ . 1 . 2]" 1
1314 1 34 GLU H 1 45 VAL MG1 . . 5.500 4.775 4.590 4.950 . 0 0 "[ . 1 . 2]" 1
1315 1 32 LEU MD1 1 45 VAL MG2 . . 3.300 2.948 2.662 3.204 . 0 0 "[ . 1 . 2]" 1
1316 1 32 LEU H 1 45 VAL MG2 . . 5.500 4.739 4.305 4.999 . 0 0 "[ . 1 . 2]" 1
1317 1 44 TYR QD 1 45 VAL MG1 . . 5.280 4.456 4.237 4.755 . 0 0 "[ . 1 . 2]" 1
1318 1 44 TYR QD 1 45 VAL MG2 . . 5.500 4.851 4.618 5.112 . 0 0 "[ . 1 . 2]" 1
1319 1 44 TYR QD 1 62 ALA MB . . 5.110 4.885 4.715 5.056 . 0 0 "[ . 1 . 2]" 1
1320 1 44 TYR QD 1 63 GLN H . . 4.800 4.284 4.049 4.425 . 0 0 "[ . 1 . 2]" 1
1321 1 44 TYR QE 1 62 ALA MB . . 5.160 4.881 4.653 5.058 . 0 0 "[ . 1 . 2]" 1
1322 1 44 TYR QE 1 63 GLN QE . . 4.200 2.460 1.888 4.191 . 0 0 "[ . 1 . 2]" 1
1323 1 44 TYR QE 1 46 ARG H . . 5.010 3.078 2.648 3.600 . 0 0 "[ . 1 . 2]" 1
1324 1 43 LYS HA 1 43 LYS QE . . 5.020 4.278 3.722 4.592 . 0 0 "[ . 1 . 2]" 1
1325 1 43 LYS HB2 1 65 MET HA . . 4.600 3.331 2.967 3.653 . 0 0 "[ . 1 . 2]" 1
1326 1 43 LYS HD3 1 65 MET ME . . 4.690 2.362 1.833 3.270 . 0 0 "[ . 1 . 2]" 1
1327 1 42 LEU HA 1 43 LYS HB2 . . 5.420 4.674 4.613 4.739 . 0 0 "[ . 1 . 2]" 1
1328 1 42 LEU HA 1 64 PHE QE . . 5.410 4.743 4.122 4.997 . 0 0 "[ . 1 . 2]" 1
1329 1 42 LEU HB2 1 42 LEU HG . . 2.690 2.585 2.491 2.644 . 0 0 "[ . 1 . 2]" 1
1330 1 42 LEU HG 1 64 PHE QD . . 4.730 4.125 3.442 4.474 . 0 0 "[ . 1 . 2]" 1
1331 1 36 LEU H 1 42 LEU MD1 . . 5.160 3.075 2.867 3.286 . 0 0 "[ . 1 . 2]" 1
1332 1 34 GLU H 1 42 LEU MD1 . . 5.310 4.160 3.946 4.286 . 0 0 "[ . 1 . 2]" 1
1333 1 42 LEU MD1 1 43 LYS H . . 5.500 5.186 4.896 5.379 . 0 0 "[ . 1 . 2]" 1
1334 1 42 LEU HB3 1 42 LEU MD1 . . 3.350 2.572 2.457 2.660 . 0 0 "[ . 1 . 2]" 1
1335 1 42 LEU MD2 1 63 GLN HG2 . . 5.500 5.332 5.092 5.499 . 0 0 "[ . 1 . 2]" 1
1336 1 36 LEU H 1 42 LEU MD2 . . 5.390 4.635 4.430 4.838 . 0 0 "[ . 1 . 2]" 1
1337 1 37 GLN H 1 42 LEU MD2 . . 5.500 4.461 4.053 4.904 . 0 0 "[ . 1 . 2]" 1
1338 1 42 LEU MD2 1 65 MET H . . 5.500 4.818 4.553 5.135 . 0 0 "[ . 1 . 2]" 1
1339 1 42 LEU MD2 1 64 PHE H . . 4.840 4.103 3.787 4.380 . 0 0 "[ . 1 . 2]" 1
1340 1 33 GLY HA3 1 42 LEU MD2 . . 5.500 4.646 4.463 4.926 . 0 0 "[ . 1 . 2]" 1
1341 1 39 PHE HA 1 72 LYS HB3 . . 4.710 4.421 3.916 4.696 . 0 0 "[ . 1 . 2]" 1
1342 1 39 PHE HA 1 72 LYS HD2 . . 5.130 4.788 3.775 5.088 . 0 0 "[ . 1 . 2]" 1
1343 1 36 LEU MD2 1 39 PHE HB2 . . 5.500 4.932 4.413 5.224 . 0 0 "[ . 1 . 2]" 1
1344 1 38 GLN H 1 38 GLN HG3 . . 3.880 3.790 3.561 3.868 . 0 0 "[ . 1 . 2]" 1
1345 1 34 GLU HB3 1 35 VAL HA . . 4.610 4.304 4.203 4.398 . 0 0 "[ . 1 . 2]" 1
1346 1 35 VAL HA 1 38 GLN HE22 . . 4.460 3.982 2.954 4.311 . 0 0 "[ . 1 . 2]" 1
1347 1 35 VAL HA 1 37 GLN H . . 5.030 4.249 3.824 4.739 . 0 0 "[ . 1 . 2]" 1
1348 1 35 VAL HB 1 36 LEU MD1 . . 4.850 4.536 4.415 4.758 . 0 0 "[ . 1 . 2]" 1
1349 1 34 GLU H 1 35 VAL MG2 . . 5.050 4.240 4.072 4.539 . 0 0 "[ . 1 . 2]" 1
1350 1 35 VAL MG2 1 38 GLN HE22 . . 5.120 4.835 3.937 5.115 . 0 0 "[ . 1 . 2]" 1
1351 1 35 VAL MG2 1 88 LEU MD2 . . 3.580 3.368 2.820 3.580 0.000 9 0 "[ . 1 . 2]" 1
1352 1 34 GLU HA 1 37 GLN HE22 . . 5.070 4.223 3.358 4.950 . 0 0 "[ . 1 . 2]" 1
1353 1 34 GLU HG2 1 35 VAL H . . 5.500 5.011 4.654 5.402 . 0 0 "[ . 1 . 2]" 1
1354 1 28 GLU H 1 88 LEU MD2 . . 5.050 3.381 3.135 3.698 . 0 0 "[ . 1 . 2]" 1
1355 1 88 LEU HB2 1 88 LEU MD2 . . 3.270 2.592 2.355 2.689 . 0 0 "[ . 1 . 2]" 1
1356 1 31 ALA HA 1 88 LEU MD2 . . 5.500 5.342 4.767 5.506 0.006 18 0 "[ . 1 . 2]" 1
1357 1 31 ALA HA 1 88 LEU MD1 . . 5.280 4.877 4.450 5.151 . 0 0 "[ . 1 . 2]" 1
1358 1 30 GLU HA 1 45 VAL MG1 . . 5.160 4.038 3.496 4.385 . 0 0 "[ . 1 . 2]" 1
1359 1 30 GLU HA 1 32 LEU H . . 5.090 4.873 4.124 5.095 0.005 6 0 "[ . 1 . 2]" 1
1360 1 29 GLU HA 1 32 LEU HG . . 5.500 5.443 5.329 5.505 0.005 12 0 "[ . 1 . 2]" 1
1361 1 29 GLU HA 1 31 ALA MB . . 5.500 5.408 5.213 5.507 0.007 9 0 "[ . 1 . 2]" 1
1362 1 29 GLU HB2 1 30 GLU HA . . 5.500 5.505 5.480 5.575 0.075 18 0 "[ . 1 . 2]" 1
1363 1 29 GLU HB3 1 30 GLU HA . . 4.770 4.001 3.957 4.181 . 0 0 "[ . 1 . 2]" 1
1364 1 28 GLU HB2 1 30 GLU H . . 4.680 3.269 3.043 3.753 . 0 0 "[ . 1 . 2]" 1
1365 1 28 GLU HG2 1 30 GLU H . . 5.500 5.443 5.301 5.504 0.004 3 0 "[ . 1 . 2]" 1
1366 1 28 GLU HG2 1 31 ALA H . . 5.500 5.468 5.382 5.511 0.011 4 0 "[ . 1 . 2]" 1
1367 1 28 GLU HG3 1 29 GLU H . . 5.310 5.168 4.860 5.296 . 0 0 "[ . 1 . 2]" 1
1368 1 27 SER HA 1 88 LEU MD2 . . 4.560 2.541 2.129 3.111 . 0 0 "[ . 1 . 2]" 1
1369 1 27 SER HA 1 28 GLU HB2 . . 4.890 4.568 4.458 4.648 . 0 0 "[ . 1 . 2]" 1
1370 1 27 SER HA 1 28 GLU HG3 . . 4.540 3.635 3.421 3.875 . 0 0 "[ . 1 . 2]" 1
1371 1 27 SER HA 1 28 GLU HG2 . . 5.280 4.422 4.181 4.594 . 0 0 "[ . 1 . 2]" 1
1372 1 27 SER QB 1 28 GLU HG2 . . 5.440 5.147 4.757 5.395 . 0 0 "[ . 1 . 2]" 1
1373 1 23 LEU MD2 1 27 SER QB . . 4.360 2.912 2.561 3.481 . 0 0 "[ . 1 . 2]" 1
1374 1 24 SER HB3 1 89 ASP HB3 . . 5.500 3.905 2.383 5.025 . 0 0 "[ . 1 . 2]" 1
1375 1 24 SER HB3 1 91 ARG HD2 . . 5.250 4.388 3.458 5.262 0.012 18 0 "[ . 1 . 2]" 1
1376 1 24 SER HB3 1 89 ASP HB2 . . 5.500 3.496 2.439 4.511 . 0 0 "[ . 1 . 2]" 1
1377 1 23 LEU MD1 1 24 SER H . . 4.770 4.596 4.388 4.756 . 0 0 "[ . 1 . 2]" 1
1378 1 21 ARG HB3 1 22 ASN HA . . 4.760 4.389 4.199 4.594 . 0 0 "[ . 1 . 2]" 1
1379 1 22 ASN HB3 1 94 LYS HB2 . . 4.850 4.110 3.828 4.251 . 0 0 "[ . 1 . 2]" 1
1380 1 19 PHE QD 1 21 ARG HD2 . . 5.460 3.894 2.019 5.323 . 0 0 "[ . 1 . 2]" 1
1381 1 19 PHE QD 1 21 ARG HD3 . . 5.460 4.187 3.045 5.417 . 0 0 "[ . 1 . 2]" 1
1382 1 20 ILE HG13 1 60 ALA H . . 5.500 5.338 5.180 5.501 0.001 11 0 "[ . 1 . 2]" 1
1383 1 20 ILE HG13 1 62 ALA H . . 5.500 5.486 5.412 5.506 0.006 17 0 "[ . 1 . 2]" 1
1384 1 20 ILE HG13 1 61 PHE HA . . 5.500 5.413 5.221 5.501 0.001 14 0 "[ . 1 . 2]" 1
1385 1 18 VAL HB 1 20 ILE HG13 . . 5.470 4.266 4.113 4.404 . 0 0 "[ . 1 . 2]" 1
1386 1 20 ILE MG 1 93 LEU HB3 . . 3.140 2.102 1.942 2.355 . 0 0 "[ . 1 . 2]" 1
1387 1 20 ILE MG 1 23 LEU H . . 5.440 4.465 4.281 4.840 . 0 0 "[ . 1 . 2]" 1
1388 1 20 ILE MG 1 59 CYS HA . . 5.080 4.192 3.933 4.462 . 0 0 "[ . 1 . 2]" 1
1389 1 20 ILE MG 1 23 LEU HA . . 5.470 3.858 3.663 4.194 . 0 0 "[ . 1 . 2]" 1
1390 1 20 ILE MG 1 93 LEU MD2 . . 2.850 2.565 2.404 2.801 . 0 0 "[ . 1 . 2]" 1
1391 1 20 ILE MD 1 36 LEU MD1 . . 3.030 2.250 2.092 2.402 . 0 0 "[ . 1 . 2]" 1
1392 1 20 ILE MD 1 36 LEU HG . . 5.050 4.295 4.036 4.412 . 0 0 "[ . 1 . 2]" 1
1393 1 20 ILE MD 1 36 LEU HB3 . . 5.500 5.438 5.171 5.509 0.009 2 0 "[ . 1 . 2]" 1
1394 1 19 PHE H 1 20 ILE MD . . 5.500 4.427 4.303 4.551 . 0 0 "[ . 1 . 2]" 1
1395 1 19 PHE HA 1 19 PHE QE . . 5.220 4.498 4.304 4.889 . 0 0 "[ . 1 . 2]" 1
1396 1 19 PHE HA 1 61 PHE QD . . 4.570 3.568 3.375 4.049 . 0 0 "[ . 1 . 2]" 1
1397 1 18 VAL MG2 1 19 PHE HA . . 4.430 3.860 3.815 3.915 . 0 0 "[ . 1 . 2]" 1
1398 1 18 VAL HB 1 97 LEU HA . . 4.880 4.895 4.876 4.906 0.026 12 0 "[ . 1 . 2]" 1
1399 1 18 VAL HB 1 98 ALA H . . 5.300 5.246 5.229 5.266 . 0 0 "[ . 1 . 2]" 1
1400 1 17 THR MG 1 61 PHE HB2 . . 5.500 5.148 4.958 5.316 . 0 0 "[ . 1 . 2]" 1
1401 1 17 THR MG 1 63 GLN HG2 . . 5.500 5.447 5.295 5.508 0.008 1 0 "[ . 1 . 2]" 1
1402 1 17 THR MG 1 61 PHE HA . . 4.840 4.450 4.289 4.633 . 0 0 "[ . 1 . 2]" 1
1403 1 16 LYS HG2 1 67 GLN QB . . 4.530 3.404 2.326 3.544 . 0 0 "[ . 1 . 2]" 1
1404 1 16 LYS HD2 1 65 MET HA . . 4.870 3.539 3.322 3.842 . 0 0 "[ . 1 . 2]" 1
1405 1 15 GLY HA3 1 67 GLN HG3 . . 4.830 4.824 4.543 4.846 0.016 2 0 "[ . 1 . 2]" 1
1406 1 15 GLY HA2 1 16 LYS HG3 . . 4.420 4.225 4.105 4.389 . 0 0 "[ . 1 . 2]" 1
1407 1 13 THR H 1 13 THR MG . . 4.550 3.236 1.991 4.022 . 0 0 "[ . 1 . 2]" 1
1408 1 13 THR MG 1 14 GLU H . . 4.950 3.119 1.946 4.337 . 0 0 "[ . 1 . 2]" 1
1409 1 10 SER HA 1 11 ASP QB . . 5.500 4.416 3.812 5.296 . 0 0 "[ . 1 . 2]" 1
1410 1 51 PRO HA 1 52 ASP HA . . 4.730 4.619 4.481 4.772 0.042 11 0 "[ . 1 . 2]" 1
1411 1 52 ASP QB 1 53 THR HA . . 5.250 4.332 3.964 4.852 . 0 0 "[ . 1 . 2]" 1
1412 1 53 THR MG 1 55 HIS HD2 . . 5.500 2.979 1.956 4.879 . 0 0 "[ . 1 . 2]" 1
1413 1 53 THR HB 1 55 HIS HD2 . . 4.980 4.134 2.450 4.967 . 0 0 "[ . 1 . 2]" 1
1414 1 57 LYS HB3 1 57 LYS QE . . 4.920 3.537 2.105 4.516 . 0 0 "[ . 1 . 2]" 1
1415 1 43 LYS HB3 1 43 LYS QE . . 4.880 4.102 3.336 4.466 . 0 0 "[ . 1 . 2]" 1
1416 1 87 LYS QD 1 90 GLY HA3 . . 5.100 4.584 3.954 5.102 0.002 1 0 "[ . 1 . 2]" 1
1417 1 87 LYS H 1 87 LYS QD . . 5.100 4.897 4.759 5.063 . 0 0 "[ . 1 . 2]" 1
1418 1 87 LYS QD 1 88 LEU H . . 4.770 4.525 4.237 4.776 0.006 2 0 "[ . 1 . 2]" 1
1419 1 87 LYS QD 1 93 LEU H . . 5.380 5.055 4.448 5.374 . 0 0 "[ . 1 . 2]" 1
1420 1 48 VAL MG2 1 61 PHE QE . . 4.320 3.893 3.187 4.267 . 0 0 "[ . 1 . 2]" 1
1421 1 44 TYR QD 1 63 GLN HB3 . . 4.670 2.590 2.310 3.142 . 0 0 "[ . 1 . 2]" 1
1422 1 16 LYS HE3 1 67 GLN HG3 . . 4.590 2.965 2.256 4.510 . 0 0 "[ . 1 . 2]" 1
1423 1 66 THR HA 1 68 GLU H . . 5.500 4.290 3.964 4.416 . 0 0 "[ . 1 . 2]" 1
1424 1 67 GLN QB 1 69 ALA H . . 4.970 4.554 4.441 4.737 . 0 0 "[ . 1 . 2]" 1
1425 1 16 LYS HG3 1 67 GLN QB . . 5.040 4.683 3.616 4.865 . 0 0 "[ . 1 . 2]" 1
1426 1 67 GLN QB 1 70 ALA MB . . 4.750 4.475 4.117 4.622 . 0 0 "[ . 1 . 2]" 1
1427 1 68 GLU HB3 1 69 ALA MB . . 5.120 4.027 3.898 4.149 . 0 0 "[ . 1 . 2]" 1
1428 1 68 GLU HB2 1 69 ALA MB . . 5.120 5.084 5.011 5.134 0.014 16 0 "[ . 1 . 2]" 1
1429 1 66 THR MG 1 68 GLU HB2 . . 5.240 4.983 4.798 5.119 . 0 0 "[ . 1 . 2]" 1
1430 1 72 LYS HB2 1 72 LYS QE . . 5.080 3.969 3.855 4.099 . 0 0 "[ . 1 . 2]" 1
1431 1 39 PHE HB2 1 72 LYS HB3 . . 5.100 4.688 4.310 4.947 . 0 0 "[ . 1 . 2]" 1
1432 1 39 PHE HA 1 72 LYS HD3 . . 5.130 4.431 4.052 4.688 . 0 0 "[ . 1 . 2]" 1
1433 1 39 PHE QD 1 72 LYS HD2 . . 4.790 4.453 4.167 4.681 . 0 0 "[ . 1 . 2]" 1
1434 1 39 PHE QD 1 72 LYS HD3 . . 4.790 3.733 3.469 4.047 . 0 0 "[ . 1 . 2]" 1
1435 1 39 PHE HB3 1 73 CYS HA . . 4.960 4.318 3.526 4.696 . 0 0 "[ . 1 . 2]" 1
1436 1 71 GLN HG2 1 74 LEU MD1 . . 4.710 4.559 4.265 4.712 0.002 4 0 "[ . 1 . 2]" 1
1437 1 76 ALA HA 1 78 SER H . . 4.580 4.143 3.457 4.452 . 0 0 "[ . 1 . 2]" 1
1438 1 86 LEU HG 1 87 LYS H . . 4.910 3.590 3.459 3.714 . 0 0 "[ . 1 . 2]" 1
1439 1 87 LYS QB 1 92 GLN HA . . 4.850 3.806 3.370 4.093 . 0 0 "[ . 1 . 2]" 1
1440 1 86 LEU HA 1 87 LYS QB . . 5.500 4.203 4.127 4.307 . 0 0 "[ . 1 . 2]" 1
1441 1 87 LYS QB 1 91 ARG H . . 5.270 2.925 2.482 3.195 . 0 0 "[ . 1 . 2]" 1
1442 1 87 LYS HG3 1 92 GLN HG2 . . 5.500 4.010 3.211 5.510 0.010 18 0 "[ . 1 . 2]" 1
1443 1 87 LYS HG3 1 92 GLN HG3 . . 5.500 5.339 4.426 5.503 0.003 9 0 "[ . 1 . 2]" 1
1444 1 87 LYS HG2 1 93 LEU H . . 3.650 3.406 3.106 3.653 0.003 3 0 "[ . 1 . 2]" 1
1445 1 22 ASN HD22 1 91 ARG HA . . 5.270 3.792 3.199 4.518 . 0 0 "[ . 1 . 2]" 1
1446 1 23 LEU H 1 93 LEU MD2 . . 5.240 4.635 4.369 4.969 . 0 0 "[ . 1 . 2]" 1
1447 1 22 ASN HB2 1 93 LEU MD2 . . 5.500 5.415 5.158 5.507 0.007 14 0 "[ . 1 . 2]" 1
1448 1 22 ASN HB2 1 94 LYS QD . . 4.990 4.162 2.560 4.835 . 0 0 "[ . 1 . 2]" 1
1449 1 94 LYS QD 1 95 VAL H . . 5.500 5.245 4.694 5.498 . 0 0 "[ . 1 . 2]" 1
1450 1 21 ARG H 1 95 VAL MG2 . . 4.740 4.199 4.050 4.396 . 0 0 "[ . 1 . 2]" 1
1451 1 94 LYS H 1 95 VAL MG2 . . 5.210 4.109 3.950 4.249 . 0 0 "[ . 1 . 2]" 1
1452 1 77 ALA H 1 95 VAL MG2 . . 5.150 4.433 4.161 4.686 . 0 0 "[ . 1 . 2]" 1
1453 1 74 LEU HA 1 95 VAL MG2 . . 4.910 4.101 3.721 4.362 . 0 0 "[ . 1 . 2]" 1
1454 1 18 VAL HB 1 95 VAL MG2 . . 4.820 4.032 3.903 4.163 . 0 0 "[ . 1 . 2]" 1
1455 1 74 LEU HG 1 96 ASP HA . . 5.350 4.663 4.375 4.955 . 0 0 "[ . 1 . 2]" 1
1456 1 19 PHE QD 1 96 ASP HB2 . . 5.450 4.906 4.514 5.348 . 0 0 "[ . 1 . 2]" 1
1457 1 96 ASP HA 1 97 LEU HB3 . . 5.240 4.876 4.859 4.890 . 0 0 "[ . 1 . 2]" 1
1458 1 19 PHE H 1 98 ALA HA . . 5.500 4.990 4.934 5.184 . 0 0 "[ . 1 . 2]" 1
1459 1 97 LEU MD1 1 98 ALA HA . . 4.120 3.455 3.399 3.538 . 0 0 "[ . 1 . 2]" 1
1460 1 98 ALA MB 1 99 VAL HA . . 5.220 3.792 3.644 4.135 . 0 0 "[ . 1 . 2]" 1
1461 1 80 GLU QG 1 81 ALA HA . . 5.320 3.822 3.044 5.412 0.092 9 0 "[ . 1 . 2]" 1
1462 1 81 ALA HA 1 82 GLU QG . . 5.500 3.981 3.500 4.979 . 0 0 "[ . 1 . 2]" 1
1463 1 64 PHE HZ 1 70 ALA HA . . 5.360 4.370 4.142 4.575 . 0 0 "[ . 1 . 2]" 1
1464 1 69 ALA HA 1 72 LYS HB2 . . 3.440 2.639 2.467 2.963 . 0 0 "[ . 1 . 2]" 1
1465 1 54 GLU H 1 54 GLU HG3 . . 4.830 4.128 2.728 4.848 0.018 15 0 "[ . 1 . 2]" 1
1466 1 54 GLU H 1 54 GLU HG2 . . 4.830 4.420 3.484 4.726 . 0 0 "[ . 1 . 2]" 1
1467 1 54 GLU HA 1 54 GLU HG3 . . 3.980 2.721 2.299 3.623 . 0 0 "[ . 1 . 2]" 1
1468 1 85 GLY HA2 1 92 GLN HE21 . . 4.630 4.054 3.507 4.629 . 0 0 "[ . 1 . 2]" 1
1469 1 17 THR MG 1 44 TYR QE . . 5.010 4.835 4.564 5.016 0.006 2 0 "[ . 1 . 2]" 1
1470 1 50 HIS HD2 1 57 LYS QD . . 5.500 4.144 2.251 5.166 . 0 0 "[ . 1 . 2]" 1
1471 1 50 HIS HD2 1 57 LYS QE . . 5.480 3.667 2.324 5.497 0.017 17 0 "[ . 1 . 2]" 1
1472 1 50 HIS HA 1 50 HIS HD2 . . 5.300 3.293 2.601 3.804 . 0 0 "[ . 1 . 2]" 1
1473 1 50 HIS HD2 1 57 LYS HA . . 5.390 4.132 3.028 5.396 0.006 10 0 "[ . 1 . 2]" 1
1474 1 49 LEU HA 1 49 LEU HG . . 3.970 2.986 2.809 3.186 . 0 0 "[ . 1 . 2]" 1
1475 1 49 LEU MD1 1 54 GLU HA . . 3.710 3.445 2.812 3.713 0.003 15 0 "[ . 1 . 2]" 1
1476 1 49 LEU MD2 1 57 LYS H . . 4.500 3.304 2.840 4.066 . 0 0 "[ . 1 . 2]" 1
1477 1 48 VAL HA 1 49 LEU HG . . 4.400 3.739 3.327 4.049 . 0 0 "[ . 1 . 2]" 1
1478 1 48 VAL MG1 1 59 CYS HB2 . . 4.770 3.552 2.756 4.311 . 0 0 "[ . 1 . 2]" 1
1479 1 48 VAL MG2 1 57 LYS QD . . 3.680 2.501 1.922 3.687 0.007 2 0 "[ . 1 . 2]" 1
1480 1 23 LEU MD1 1 47 VAL HA . . 4.370 4.234 3.949 4.358 . 0 0 "[ . 1 . 2]" 1
1481 1 29 GLU QG 1 47 VAL MG1 . . 3.140 2.553 2.069 2.885 . 0 0 "[ . 1 . 2]" 1
1482 1 44 TYR HB2 1 46 ARG HB2 . . 5.340 4.815 4.688 4.947 . 0 0 "[ . 1 . 2]" 1
1483 1 46 ARG HB2 1 61 PHE HB2 . . 5.500 4.908 4.516 5.406 . 0 0 "[ . 1 . 2]" 1
1484 1 44 TYR QD 1 46 ARG QD . . 5.380 4.357 3.703 5.334 . 0 0 "[ . 1 . 2]" 1
1485 1 44 TYR QE 1 45 VAL HA . . 4.520 4.185 3.886 4.472 . 0 0 "[ . 1 . 2]" 1
1486 1 45 VAL HB 1 62 ALA MB . . 3.980 2.866 2.519 3.156 . 0 0 "[ . 1 . 2]" 1
1487 1 45 VAL HB 1 62 ALA HA . . 4.860 4.157 3.881 4.355 . 0 0 "[ . 1 . 2]" 1
1488 1 29 GLU QG 1 45 VAL MG1 . . 3.840 2.215 1.958 2.846 . 0 0 "[ . 1 . 2]" 1
1489 1 43 LYS HB2 1 43 LYS HG2 . . 2.840 2.592 2.509 2.632 . 0 0 "[ . 1 . 2]" 1
1490 1 43 LYS HG3 1 63 GLN HG2 . . 5.500 5.469 5.323 5.503 0.003 11 0 "[ . 1 . 2]" 1
1491 1 43 LYS HG2 1 63 GLN HG2 . . 5.500 4.259 4.059 4.399 . 0 0 "[ . 1 . 2]" 1
1492 1 43 LYS HD2 1 65 MET ME . . 4.690 2.906 1.909 4.017 . 0 0 "[ . 1 . 2]" 1
1493 1 42 LEU HG 1 43 LYS H . . 5.500 4.727 4.548 4.834 . 0 0 "[ . 1 . 2]" 1
1494 1 42 LEU HG 1 64 PHE QE . . 5.090 3.625 2.720 3.986 . 0 0 "[ . 1 . 2]" 1
1495 1 36 LEU HA 1 42 LEU MD1 . . 4.500 4.087 3.846 4.229 . 0 0 "[ . 1 . 2]" 1
1496 1 37 GLN HG2 1 42 LEU MD1 . . 4.470 2.373 1.979 4.188 . 0 0 "[ . 1 . 2]" 1
1497 1 42 LEU MD1 1 62 ALA MB . . 4.060 3.319 3.044 3.578 . 0 0 "[ . 1 . 2]" 1
1498 1 26 ASP HB2 1 27 SER H . . 5.020 3.420 2.604 4.173 . 0 0 "[ . 1 . 2]" 1
1499 1 36 LEU HB3 1 39 PHE QD . . 4.730 3.668 3.448 3.975 . 0 0 "[ . 1 . 2]" 1
1500 1 39 PHE H 1 39 PHE QE . . 4.870 4.130 3.856 4.371 . 0 0 "[ . 1 . 2]" 1
1501 1 38 GLN HA 1 40 GLY H . . 5.270 4.731 3.586 5.129 . 0 0 "[ . 1 . 2]" 1
1502 1 38 GLN HA 1 39 PHE QD . . 5.500 5.355 5.199 5.461 . 0 0 "[ . 1 . 2]" 1
1503 1 38 GLN HG2 1 39 PHE QE . . 4.600 2.991 2.804 3.188 . 0 0 "[ . 1 . 2]" 1
1504 1 37 GLN HA 1 42 LEU MD2 . . 5.250 4.209 3.813 4.351 . 0 0 "[ . 1 . 2]" 1
1505 1 68 GLU HA 1 71 GLN QB . . 3.280 2.869 2.667 3.047 . 0 0 "[ . 1 . 2]" 1
1506 1 36 LEU HA 1 39 PHE H . . 5.410 3.702 3.422 3.913 . 0 0 "[ . 1 . 2]" 1
1507 1 32 LEU MD2 1 36 LEU HB2 . . 4.560 3.789 3.456 3.989 . 0 0 "[ . 1 . 2]" 1
1508 1 23 LEU HB3 1 23 LEU MD2 . . 3.280 2.260 2.134 2.441 . 0 0 "[ . 1 . 2]" 1
1509 1 36 LEU MD1 1 62 ALA HA . . 4.820 4.687 4.506 4.824 0.004 10 0 "[ . 1 . 2]" 1
1510 1 23 LEU MD2 1 24 SER H . . 4.510 3.010 2.562 3.242 . 0 0 "[ . 1 . 2]" 1
1511 1 36 LEU MD1 1 37 GLN H . . 5.500 4.715 4.370 5.137 . 0 0 "[ . 1 . 2]" 1
1512 1 35 VAL HA 1 88 LEU MD1 . . 4.910 4.840 4.596 4.918 0.008 18 0 "[ . 1 . 2]" 1
1513 1 34 GLU HG3 1 35 VAL H . . 5.500 5.112 4.641 5.498 . 0 0 "[ . 1 . 2]" 1
1514 1 34 GLU HB2 1 35 VAL H . . 4.020 3.184 3.049 3.360 . 0 0 "[ . 1 . 2]" 1
1515 1 22 ASN H 1 23 LEU HG . . 5.060 4.368 4.020 4.936 . 0 0 "[ . 1 . 2]" 1
1516 1 88 LEU MD2 1 93 LEU MD2 . . 4.340 2.868 2.576 3.043 . 0 0 "[ . 1 . 2]" 1
1517 1 32 LEU HB2 1 88 LEU MD2 . . 3.840 3.600 3.208 3.832 . 0 0 "[ . 1 . 2]" 1
1518 1 32 LEU MD2 1 36 LEU HG . . 3.140 2.368 2.203 2.491 . 0 0 "[ . 1 . 2]" 1
1519 1 30 GLU HA 1 34 GLU H . . 4.590 4.183 3.840 4.436 . 0 0 "[ . 1 . 2]" 1
1520 1 30 GLU HA 1 30 GLU QG . . 3.410 2.766 2.207 3.333 . 0 0 "[ . 1 . 2]" 1
1521 1 68 GLU QG 1 72 LYS QE . . 4.720 1.967 1.798 2.225 . 0 0 "[ . 1 . 2]" 1
1522 1 28 GLU HB2 1 28 GLU HG3 . . 2.830 2.327 2.281 2.369 . 0 0 "[ . 1 . 2]" 1
1523 1 28 GLU HA 1 29 GLU HA . . 4.800 4.308 4.294 4.323 . 0 0 "[ . 1 . 2]" 1
1524 1 29 GLU QG 1 45 VAL HB . . 4.310 4.214 4.051 4.318 0.008 18 0 "[ . 1 . 2]" 1
1525 1 28 GLU HA 1 28 GLU HG2 . . 3.330 2.503 2.439 2.567 . 0 0 "[ . 1 . 2]" 1
1526 1 28 GLU HA 1 29 GLU HB2 . . 4.500 4.409 4.358 4.558 0.058 18 0 "[ . 1 . 2]" 1
1527 1 28 GLU HB3 1 28 GLU HG2 . . 2.690 2.574 2.521 2.639 . 0 0 "[ . 1 . 2]" 1
1528 1 24 SER HA 1 25 PHE QD . . 5.500 4.545 3.804 5.479 . 0 0 "[ . 1 . 2]" 1
1529 1 32 LEU HA 1 35 VAL H . . 4.070 3.857 3.674 3.984 . 0 0 "[ . 1 . 2]" 1
1530 1 23 LEU HA 1 88 LEU HB3 . . 4.850 4.682 4.380 4.864 0.014 18 0 "[ . 1 . 2]" 1
1531 1 23 LEU HB3 1 59 CYS HA . . 5.500 4.565 4.168 4.885 . 0 0 "[ . 1 . 2]" 1
1532 1 21 ARG HA 1 22 ASN HA . . 4.890 4.495 4.459 4.570 . 0 0 "[ . 1 . 2]" 1
1533 1 41 ASP HA 1 42 LEU HA . . 5.210 4.381 4.369 4.420 . 0 0 "[ . 1 . 2]" 1
1534 1 19 PHE HZ 1 21 ARG HA . . 5.500 4.355 3.571 4.970 . 0 0 "[ . 1 . 2]" 1
1535 1 10 SER HA 1 11 ASP HA . . 5.160 4.474 4.341 4.940 . 0 0 "[ . 1 . 2]" 1
1536 1 93 LEU HA 1 94 LYS HA . . 5.500 4.392 4.383 4.432 . 0 0 "[ . 1 . 2]" 1
1537 1 19 PHE HZ 1 21 ARG HG2 . . 5.330 3.624 2.897 5.333 0.003 18 0 "[ . 1 . 2]" 1
1538 1 19 PHE HZ 1 21 ARG HG3 . . 5.330 3.647 2.892 4.197 . 0 0 "[ . 1 . 2]" 1
1539 1 21 ARG H 1 21 ARG HG3 . . 4.960 3.682 3.494 4.378 . 0 0 "[ . 1 . 2]" 1
1540 1 20 ILE MG 1 21 ARG HA . . 4.420 3.882 3.714 4.092 . 0 0 "[ . 1 . 2]" 1
1541 1 57 LYS HA 1 57 LYS QE . . 4.710 3.977 1.974 4.682 . 0 0 "[ . 1 . 2]" 1
1542 1 87 LYS QE 1 92 GLN HA . . 4.910 3.657 2.426 4.661 . 0 0 "[ . 1 . 2]" 1
1543 1 87 LYS QE 1 92 GLN HG2 . . 5.500 3.093 2.002 5.509 0.009 18 0 "[ . 1 . 2]" 1
1544 1 87 LYS QE 1 92 GLN HG3 . . 5.500 3.946 2.547 5.524 0.024 18 0 "[ . 1 . 2]" 1
1545 1 19 PHE QE 1 60 ALA H . . 5.500 3.077 2.772 4.273 . 0 0 "[ . 1 . 2]" 1
1546 1 18 VAL HB 1 96 ASP H . . 4.550 4.357 4.274 4.475 . 0 0 "[ . 1 . 2]" 1
1547 1 18 VAL MG1 1 74 LEU H . . 4.970 4.978 4.932 4.991 0.021 18 0 "[ . 1 . 2]" 1
1548 1 18 VAL MG1 1 74 LEU HG . . 4.410 4.142 3.787 4.420 0.010 1 0 "[ . 1 . 2]" 1
1549 1 18 VAL MG2 1 20 ILE MD . . 2.910 2.600 2.334 2.756 . 0 0 "[ . 1 . 2]" 1
1550 1 18 VAL MG2 1 61 PHE HA . . 5.260 3.971 3.803 4.099 . 0 0 "[ . 1 . 2]" 1
1551 1 17 THR MG 1 98 ALA HA . . 5.500 3.504 3.437 3.584 . 0 0 "[ . 1 . 2]" 1
1552 1 16 LYS HG2 1 67 GLN H . . 5.500 2.914 2.480 3.114 . 0 0 "[ . 1 . 2]" 1
1553 1 16 LYS HD3 1 65 MET HA . . 4.870 3.981 3.588 4.244 . 0 0 "[ . 1 . 2]" 1
1554 1 50 HIS HA 1 57 LYS QD . . 4.110 3.258 1.994 4.111 0.001 9 0 "[ . 1 . 2]" 1
1555 1 16 LYS HD3 1 66 THR HA . . 4.130 2.455 2.167 2.739 . 0 0 "[ . 1 . 2]" 1
1556 1 8 LEU HB2 1 9 PRO HD3 . . 4.750 3.821 3.429 4.753 0.003 10 0 "[ . 1 . 2]" 1
1557 1 8 LEU HA 1 8 LEU MD2 . . 4.350 3.571 2.259 4.109 . 0 0 "[ . 1 . 2]" 1
1558 1 51 PRO QG 1 52 ASP QB . . 5.260 3.444 3.129 4.071 . 0 0 "[ . 1 . 2]" 1
1559 1 51 PRO QG 1 52 ASP H . . 4.840 2.723 2.011 3.880 . 0 0 "[ . 1 . 2]" 1
1560 1 50 HIS HB2 1 53 THR MG . . 5.020 3.413 2.487 4.725 . 0 0 "[ . 1 . 2]" 1
1561 1 49 LEU HB3 1 54 GLU HA . . 4.550 3.143 2.638 3.568 . 0 0 "[ . 1 . 2]" 1
1562 1 49 LEU HB2 1 54 GLU HA . . 4.550 4.161 3.625 4.483 . 0 0 "[ . 1 . 2]" 1
1563 1 49 LEU MD2 1 54 GLU HA . . 4.470 3.808 2.886 4.471 0.001 16 0 "[ . 1 . 2]" 1
1564 1 60 ALA MB 1 61 PHE H . . 3.220 2.523 2.301 2.821 . 0 0 "[ . 1 . 2]" 1
1565 1 60 ALA H 1 60 ALA MB . . 3.280 2.729 2.660 2.779 . 0 0 "[ . 1 . 2]" 1
1566 1 20 ILE H 1 60 ALA MB . . 3.990 3.757 3.584 3.961 . 0 0 "[ . 1 . 2]" 1
1567 1 47 VAL MG1 1 60 ALA MB . . 3.690 3.579 3.340 3.696 0.006 1 0 "[ . 1 . 2]" 1
1568 1 36 LEU MD1 1 62 ALA MB . . 2.950 2.302 2.186 2.392 . 0 0 "[ . 1 . 2]" 1
1569 1 18 VAL H 1 62 ALA MB . . 4.720 4.204 4.081 4.396 . 0 0 "[ . 1 . 2]" 1
1570 1 17 THR HA 1 63 GLN HB2 . . 4.690 4.030 3.908 4.263 . 0 0 "[ . 1 . 2]" 1
1571 1 17 THR HA 1 63 GLN HB3 . . 5.500 5.126 5.076 5.225 . 0 0 "[ . 1 . 2]" 1
1572 1 43 LYS HB2 1 63 GLN HB3 . . 4.470 3.723 3.663 3.833 . 0 0 "[ . 1 . 2]" 1
1573 1 72 LYS HB3 1 72 LYS QE . . 5.010 4.045 3.966 4.189 . 0 0 "[ . 1 . 2]" 1
1574 1 65 MET HA 1 65 MET ME . . 3.560 3.038 1.862 3.560 . 0 0 "[ . 1 . 2]" 1
1575 1 65 MET H 1 65 MET ME . . 5.200 4.803 4.206 5.203 0.003 12 0 "[ . 1 . 2]" 1
1576 1 65 MET HA 1 66 THR MG . . 5.490 4.281 4.013 4.396 . 0 0 "[ . 1 . 2]" 1
1577 1 67 GLN HA 1 69 ALA H . . 5.230 4.189 3.840 4.472 . 0 0 "[ . 1 . 2]" 1
1578 1 66 THR HA 1 67 GLN QB . . 4.540 4.297 4.066 4.443 . 0 0 "[ . 1 . 2]" 1
1579 1 15 GLY HA3 1 67 GLN HG2 . . 4.830 4.495 4.167 4.844 0.014 4 0 "[ . 1 . 2]" 1
1580 1 16 LYS HG2 1 67 GLN HG3 . . 4.220 2.433 1.995 3.715 . 0 0 "[ . 1 . 2]" 1
1581 1 72 LYS H 1 73 CYS HA . . 5.460 5.239 5.160 5.295 . 0 0 "[ . 1 . 2]" 1
1582 1 66 THR HB 1 68 GLU HB3 . . 4.410 3.749 3.543 4.194 . 0 0 "[ . 1 . 2]" 1
1583 1 66 THR HB 1 68 GLU HB2 . . 4.410 3.790 3.571 4.042 . 0 0 "[ . 1 . 2]" 1
1584 1 66 THR MG 1 68 GLU HB3 . . 5.240 4.785 4.639 4.856 . 0 0 "[ . 1 . 2]" 1
1585 1 69 ALA HA 1 72 LYS HG2 . . 4.890 4.834 4.431 4.898 0.008 16 0 "[ . 1 . 2]" 1
1586 1 39 PHE QD 1 72 LYS HG2 . . 5.200 4.532 4.289 4.735 . 0 0 "[ . 1 . 2]" 1
1587 1 68 GLU QG 1 72 LYS HD3 . . 4.880 4.437 4.120 4.760 . 0 0 "[ . 1 . 2]" 1
1588 1 68 GLU QG 1 72 LYS HD2 . . 4.880 3.592 3.299 4.483 . 0 0 "[ . 1 . 2]" 1
1589 1 74 LEU HB3 1 76 ALA H . . 5.300 5.090 4.904 5.222 . 0 0 "[ . 1 . 2]" 1
1590 1 73 CYS H 1 74 LEU HB2 . . 5.500 4.731 4.548 4.913 . 0 0 "[ . 1 . 2]" 1
1591 1 74 LEU HB2 1 76 ALA H . . 5.500 4.485 4.338 4.636 . 0 0 "[ . 1 . 2]" 1
1592 1 71 GLN HA 1 74 LEU HG . . 5.060 2.794 2.322 3.325 . 0 0 "[ . 1 . 2]" 1
1593 1 73 CYS H 1 74 LEU HG . . 5.500 3.926 3.691 4.201 . 0 0 "[ . 1 . 2]" 1
1594 1 74 LEU HG 1 75 ALA H . . 4.280 4.057 3.821 4.260 . 0 0 "[ . 1 . 2]" 1
1595 1 74 LEU HA 1 76 ALA H . . 4.270 3.983 3.789 4.202 . 0 0 "[ . 1 . 2]" 1
1596 1 74 LEU HA 1 78 SER H . . 5.500 4.041 3.779 4.964 . 0 0 "[ . 1 . 2]" 1
1597 1 75 ALA HA 1 77 ALA H . . 4.620 4.407 4.127 4.558 . 0 0 "[ . 1 . 2]" 1
1598 1 77 ALA MB 1 86 LEU MD1 . . 3.350 3.201 2.960 3.361 0.011 17 0 "[ . 1 . 2]" 1
1599 1 79 LEU HA 1 81 ALA H . . 5.190 4.330 3.508 4.888 . 0 0 "[ . 1 . 2]" 1
1600 1 82 GLU HA 1 84 GLY H . . 5.390 4.713 3.893 5.369 . 0 0 "[ . 1 . 2]" 1
1601 1 81 ALA MB 1 82 GLU HA . . 4.730 4.386 4.061 4.689 . 0 0 "[ . 1 . 2]" 1
1602 1 86 LEU HA 1 87 LYS HG3 . . 4.800 4.121 3.875 4.492 . 0 0 "[ . 1 . 2]" 1
1603 1 86 LEU HB2 1 93 LEU MD1 . . 4.110 3.460 3.048 3.860 . 0 0 "[ . 1 . 2]" 1
1604 1 18 VAL HA 1 97 LEU MD1 . . 4.790 4.072 3.981 4.188 . 0 0 "[ . 1 . 2]" 1
1605 1 86 LEU H 1 86 LEU MD1 . . 5.040 2.509 2.232 2.684 . 0 0 "[ . 1 . 2]" 1
1606 1 86 LEU MD1 1 87 LYS H . . 4.480 4.417 4.192 4.486 0.006 17 0 "[ . 1 . 2]" 1
1607 1 79 LEU MD1 1 80 GLU H . . 5.400 3.352 1.803 4.462 . 0 0 "[ . 1 . 2]" 1
1608 1 77 ALA H 1 86 LEU MD1 . . 4.560 3.278 3.166 3.464 . 0 0 "[ . 1 . 2]" 1
1609 1 86 LEU HA 1 86 LEU MD1 . . 3.830 2.612 2.305 2.742 . 0 0 "[ . 1 . 2]" 1
1610 1 73 CYS HA 1 86 LEU MD1 . . 4.670 4.381 4.133 4.667 . 0 0 "[ . 1 . 2]" 1
1611 1 88 LEU HA 1 93 LEU MD1 . . 5.080 3.717 3.336 4.238 . 0 0 "[ . 1 . 2]" 1
1612 1 88 LEU HA 1 93 LEU MD2 . . 5.500 4.285 3.875 4.597 . 0 0 "[ . 1 . 2]" 1
1613 1 88 LEU HA 1 88 LEU MD2 . . 3.910 3.825 3.792 3.850 . 0 0 "[ . 1 . 2]" 1
1614 1 22 ASN HD22 1 91 ARG HB2 . . 5.420 5.157 4.700 5.422 0.002 9 0 "[ . 1 . 2]" 1
1615 1 91 ARG H 1 91 ARG HD2 . . 5.500 5.441 5.302 5.511 0.011 18 0 "[ . 1 . 2]" 1
1616 1 91 ARG H 1 91 ARG HD3 . . 5.500 5.102 4.751 5.508 0.008 3 0 "[ . 1 . 2]" 1
1617 1 22 ASN HD21 1 91 ARG HD3 . . 5.500 3.963 3.046 4.558 . 0 0 "[ . 1 . 2]" 1
1618 1 93 LEU HB2 1 94 LYS H . . 4.470 4.060 3.775 4.309 . 0 0 "[ . 1 . 2]" 1
1619 1 32 LEU HA 1 93 LEU MD1 . . 4.810 4.413 4.056 4.686 . 0 0 "[ . 1 . 2]" 1
1620 1 21 ARG H 1 94 LYS HB2 . . 4.830 2.837 2.620 3.026 . 0 0 "[ . 1 . 2]" 1
1621 1 21 ARG H 1 94 LYS QG . . 5.170 4.612 4.524 4.753 . 0 0 "[ . 1 . 2]" 1
1622 1 95 VAL HA 1 95 VAL MG1 . . 3.320 2.282 2.209 2.357 . 0 0 "[ . 1 . 2]" 1
1623 1 64 PHE QE 1 95 VAL MG1 . . 5.170 3.861 3.637 4.069 . 0 0 "[ . 1 . 2]" 1
1624 1 77 ALA MB 1 95 VAL MG1 . . 3.390 3.343 3.124 3.398 0.008 11 0 "[ . 1 . 2]" 1
1625 1 77 ALA HA 1 95 VAL MG2 . . 4.760 3.939 3.718 4.234 . 0 0 "[ . 1 . 2]" 1
1626 1 96 ASP HA 1 97 LEU HA . . 5.500 4.316 4.314 4.320 . 0 0 "[ . 1 . 2]" 1
1627 1 97 LEU H 1 97 LEU MD2 . . 4.750 3.950 3.929 3.963 . 0 0 "[ . 1 . 2]" 1
1628 1 15 GLY HA3 1 97 LEU MD2 . . 5.500 5.540 5.531 5.551 0.051 19 0 "[ . 1 . 2]" 1
1629 1 18 VAL HB 1 97 LEU MD2 . . 5.340 5.335 5.281 5.352 0.012 15 0 "[ . 1 . 2]" 1
1630 1 18 VAL H 1 98 ALA MB . . 5.500 3.509 3.436 3.681 . 0 0 "[ . 1 . 2]" 1
1631 1 97 LEU MD1 1 98 ALA MB . . 3.940 3.587 3.537 3.623 . 0 0 "[ . 1 . 2]" 1
1632 1 91 ARG HA 1 91 ARG HG3 . . 4.130 3.637 3.361 3.827 . 0 0 "[ . 1 . 2]" 1
1633 1 24 SER H 1 91 ARG HG3 . . 5.260 4.402 3.827 5.242 . 0 0 "[ . 1 . 2]" 1
1634 1 15 GLY HA2 1 97 LEU MD1 . . 5.210 5.115 4.985 5.184 . 0 0 "[ . 1 . 2]" 1
1635 1 32 LEU MD1 1 60 ALA HA . . 4.590 4.234 3.952 4.390 . 0 0 "[ . 1 . 2]" 1
1636 1 32 LEU MD1 1 33 GLY H . . 4.340 4.227 4.052 4.342 0.002 9 0 "[ . 1 . 2]" 1
1637 1 16 LYS HE2 1 67 GLN QB . . 5.110 4.579 3.755 5.102 . 0 0 "[ . 1 . 2]" 1
1638 1 16 LYS HE3 1 67 GLN QB . . 4.620 4.111 2.515 4.641 0.021 5 0 "[ . 1 . 2]" 1
1639 1 16 LYS HE3 1 67 GLN HG2 . . 4.590 3.907 2.664 4.601 0.011 13 0 "[ . 1 . 2]" 1
1640 1 16 LYS HE2 1 66 THR HA . . 3.320 2.034 1.990 2.294 . 0 0 "[ . 1 . 2]" 1
1641 1 16 LYS HE3 1 66 THR HA . . 3.760 3.243 2.641 3.728 . 0 0 "[ . 1 . 2]" 1
1642 1 16 LYS HE2 1 67 GLN H . . 4.930 2.780 2.088 3.401 . 0 0 "[ . 1 . 2]" 1
1643 1 25 PHE HA 1 25 PHE QE . . 4.850 4.390 4.172 4.626 . 0 0 "[ . 1 . 2]" 1
1644 1 39 PHE HA 1 39 PHE QE . . 5.280 4.673 4.609 4.765 . 0 0 "[ . 1 . 2]" 1
1645 1 78 SER HB3 1 81 ALA MB . . 3.770 2.127 1.848 2.461 . 0 0 "[ . 1 . 2]" 1
1646 1 79 LEU HB3 1 85 GLY HA3 . . 4.420 2.634 2.127 3.475 . 0 0 "[ . 1 . 2]" 1
1647 1 79 LEU HB2 1 85 GLY HA3 . . 4.310 3.546 2.773 4.081 . 0 0 "[ . 1 . 2]" 1
1648 1 79 LEU HB2 1 85 GLY HA2 . . 5.430 4.803 3.911 5.275 . 0 0 "[ . 1 . 2]" 1
1649 1 79 LEU HB3 1 85 GLY HA2 . . 4.480 3.893 2.841 4.485 0.005 18 0 "[ . 1 . 2]" 1
1650 1 79 LEU HB2 1 79 LEU MD1 . . 3.360 2.376 2.071 3.193 . 0 0 "[ . 1 . 2]" 1
1651 1 85 GLY HA3 1 86 LEU HA . . 4.860 4.592 4.499 4.664 . 0 0 "[ . 1 . 2]" 1
1652 1 85 GLY HA2 1 86 LEU HA . . 4.900 4.349 4.327 4.393 . 0 0 "[ . 1 . 2]" 1
1653 1 51 PRO HD2 1 57 LYS QE . . 5.140 3.660 2.743 4.885 . 0 0 "[ . 1 . 2]" 1
1654 1 50 HIS HA 1 57 LYS QE . . 3.920 3.007 1.981 3.912 . 0 0 "[ . 1 . 2]" 1
1655 1 32 LEU MD1 1 47 VAL MG1 . . 4.130 3.848 3.408 4.101 . 0 0 "[ . 1 . 2]" 1
1656 1 70 ALA MB 1 97 LEU MD1 . . 4.360 4.233 4.156 4.288 . 0 0 "[ . 1 . 2]" 1
1657 1 97 LEU HB3 1 97 LEU MD2 . . 3.270 3.135 3.123 3.149 . 0 0 "[ . 1 . 2]" 1
1658 1 70 ALA MB 1 97 LEU MD2 . . 3.730 2.424 2.349 2.519 . 0 0 "[ . 1 . 2]" 1
1659 1 20 ILE MG 1 93 LEU MD1 . . 3.760 3.035 2.458 3.309 . 0 0 "[ . 1 . 2]" 1
1660 1 88 LEU MD2 1 93 LEU MD1 . . 3.990 3.131 2.822 3.475 . 0 0 "[ . 1 . 2]" 1
1661 1 88 LEU HA 1 88 LEU MD1 . . 3.110 2.416 1.989 2.651 . 0 0 "[ . 1 . 2]" 1
1662 1 35 VAL MG2 1 88 LEU MD1 . . 3.010 2.008 1.784 2.109 . 0 0 "[ . 1 . 2]" 1
1663 1 79 LEU HA 1 79 LEU MD1 . . 4.270 3.838 3.397 4.101 . 0 0 "[ . 1 . 2]" 1
1664 1 76 ALA HA 1 86 LEU MD1 . . 3.700 3.499 3.383 3.677 . 0 0 "[ . 1 . 2]" 1
1665 1 85 GLY HA2 1 86 LEU MD1 . . 3.870 3.219 3.007 3.481 . 0 0 "[ . 1 . 2]" 1
1666 1 76 ALA MB 1 86 LEU MD1 . . 3.020 1.929 1.793 2.069 . 0 0 "[ . 1 . 2]" 1
1667 1 79 LEU HB3 1 79 LEU MD1 . . 3.410 2.642 2.355 3.191 . 0 0 "[ . 1 . 2]" 1
1668 1 20 ILE HG12 1 20 ILE MG . . 3.110 2.099 2.007 2.244 . 0 0 "[ . 1 . 2]" 1
1669 1 95 VAL HA 1 95 VAL MG2 . . 3.230 2.484 2.444 2.519 . 0 0 "[ . 1 . 2]" 1
1670 1 95 VAL HA 1 96 ASP HB3 . . 4.950 4.651 4.350 4.871 . 0 0 "[ . 1 . 2]" 1
1671 1 95 VAL HA 1 96 ASP HB2 . . 4.950 4.480 4.281 4.802 . 0 0 "[ . 1 . 2]" 1
1672 1 95 VAL HA 1 96 ASP HA . . 5.090 4.407 4.398 4.420 . 0 0 "[ . 1 . 2]" 1
1673 1 77 ALA HA 1 86 LEU HG . . 4.810 4.716 4.487 4.813 0.003 19 0 "[ . 1 . 2]" 1
1674 1 8 LEU H 1 8 LEU QB . . 3.120 2.495 2.142 2.924 . 0 0 "[ . 1 . 2]" 1
1675 1 8 LEU H 1 8 LEU QD . . 4.490 2.535 1.765 3.380 . 0 0 "[ . 1 . 2]" 1
1676 1 8 LEU HA 1 8 LEU QD . . 3.570 3.112 1.915 3.421 . 0 0 "[ . 1 . 2]" 1
1677 1 8 LEU HA 1 9 PRO QG . . 4.720 3.946 3.867 3.995 . 0 0 "[ . 1 . 2]" 1
1678 1 8 LEU QB 1 9 PRO HD3 . . 3.950 3.455 3.330 3.664 . 0 0 "[ . 1 . 2]" 1
1679 1 8 LEU QD 1 9 PRO HD2 . . 3.780 3.133 1.980 3.577 . 0 0 "[ . 1 . 2]" 1
1680 1 8 LEU QD 1 9 PRO HD3 . . 4.560 4.084 2.648 4.549 . 0 0 "[ . 1 . 2]" 1
1681 1 8 LEU QD 1 10 SER H . . 4.910 3.944 2.188 4.854 . 0 0 "[ . 1 . 2]" 1
1682 1 11 ASP HA 1 12 VAL QG . . 4.330 3.715 3.260 4.017 . 0 0 "[ . 1 . 2]" 1
1683 1 12 VAL H 1 12 VAL QG . . 3.430 2.105 1.797 2.912 . 0 0 "[ . 1 . 2]" 1
1684 1 12 VAL QG 1 13 THR HA . . 4.840 3.423 3.089 4.240 . 0 0 "[ . 1 . 2]" 1
1685 1 14 GLU H 1 14 GLU QG . . 4.820 2.856 1.909 4.243 . 0 0 "[ . 1 . 2]" 1
1686 1 14 GLU HA 1 14 GLU QG . . 3.380 2.668 2.196 3.339 . 0 0 "[ . 1 . 2]" 1
1687 1 14 GLU QB 1 15 GLY H . . 4.410 3.819 3.040 4.042 . 0 0 "[ . 1 . 2]" 1
1688 1 14 GLU QB 1 16 LYS H . . 4.840 4.110 3.503 4.831 . 0 0 "[ . 1 . 2]" 1
1689 1 14 GLU QB 1 16 LYS HG3 . . 5.340 4.980 4.530 5.276 . 0 0 "[ . 1 . 2]" 1
1690 1 16 LYS H 1 16 LYS QB . . 3.320 2.838 2.798 2.899 . 0 0 "[ . 1 . 2]" 1
1691 1 16 LYS HA 1 67 GLN QG . . 4.480 3.601 2.886 3.981 . 0 0 "[ . 1 . 2]" 1
1692 1 16 LYS QB 1 16 LYS QD . . 3.050 2.066 2.043 2.100 . 0 0 "[ . 1 . 2]" 1
1693 1 16 LYS QB 1 16 LYS HE2 . . 4.840 4.213 4.104 4.258 . 0 0 "[ . 1 . 2]" 1
1694 1 16 LYS QB 1 16 LYS HE3 . . 4.360 3.936 3.864 3.966 . 0 0 "[ . 1 . 2]" 1
1695 1 16 LYS QB 1 17 THR H . . 3.930 3.344 3.336 3.352 . 0 0 "[ . 1 . 2]" 1
1696 1 16 LYS QB 1 64 PHE H . . 3.860 2.783 2.605 2.925 . 0 0 "[ . 1 . 2]" 1
1697 1 16 LYS QB 1 64 PHE HB2 . . 4.150 2.744 2.589 2.956 . 0 0 "[ . 1 . 2]" 1
1698 1 16 LYS QB 1 64 PHE HB3 . . 4.920 3.662 3.472 3.875 . 0 0 "[ . 1 . 2]" 1
1699 1 16 LYS QD 1 65 MET HA . . 4.090 3.305 3.100 3.560 . 0 0 "[ . 1 . 2]" 1
1700 1 16 LYS QD 1 66 THR HA . . 3.540 2.425 2.149 2.687 . 0 0 "[ . 1 . 2]" 1
1701 1 16 LYS QD 1 67 GLN H . . 5.170 2.841 2.507 3.203 . 0 0 "[ . 1 . 2]" 1
1702 1 16 LYS QD 1 67 GLN HA . . 4.590 3.203 2.847 3.539 . 0 0 "[ . 1 . 2]" 1
1703 1 16 LYS HE3 1 67 GLN QG . . 3.930 2.668 2.242 3.880 . 0 0 "[ . 1 . 2]" 1
1704 1 18 VAL HA 1 19 PHE QB . . 4.470 4.094 4.049 4.103 . 0 0 "[ . 1 . 2]" 1
1705 1 18 VAL MG1 1 71 GLN QE . . 4.030 4.038 4.018 4.051 0.021 11 0 "[ . 1 . 2]" 1
1706 1 18 VAL MG1 1 73 CYS QB . . 4.950 3.159 3.033 3.377 . 0 0 "[ . 1 . 2]" 1
1707 1 19 PHE H 1 96 ASP QB . . 4.770 3.894 3.809 3.986 . 0 0 "[ . 1 . 2]" 1
1708 1 19 PHE QB 1 20 ILE H . . 4.140 3.788 3.732 3.838 . 0 0 "[ . 1 . 2]" 1
1709 1 19 PHE QB 1 61 PHE HA . . 5.280 3.811 3.623 4.015 . 0 0 "[ . 1 . 2]" 1
1710 1 19 PHE QB 1 61 PHE QD . . 4.300 2.669 2.399 2.987 . 0 0 "[ . 1 . 2]" 1
1711 1 19 PHE QB 1 61 PHE QE . . 5.340 3.276 2.967 3.717 . 0 0 "[ . 1 . 2]" 1
1712 1 19 PHE QB 1 96 ASP H . . 4.110 3.254 3.108 3.318 . 0 0 "[ . 1 . 2]" 1
1713 1 19 PHE QB 1 98 ALA H . . 5.180 3.527 3.437 3.588 . 0 0 "[ . 1 . 2]" 1
1714 1 19 PHE QB 1 98 ALA MB . . 3.000 1.908 1.816 2.020 . 0 0 "[ . 1 . 2]" 1
1715 1 19 PHE QD 1 21 ARG QG . . 4.620 3.122 2.699 4.490 . 0 0 "[ . 1 . 2]" 1
1716 1 19 PHE QD 1 21 ARG QD . . 4.620 3.423 2.007 4.519 . 0 0 "[ . 1 . 2]" 1
1717 1 19 PHE QD 1 96 ASP QB . . 4.580 3.565 3.117 4.002 . 0 0 "[ . 1 . 2]" 1
1718 1 19 PHE QE 1 21 ARG QG . . 4.340 2.246 1.933 2.899 . 0 0 "[ . 1 . 2]" 1
1719 1 19 PHE QE 1 21 ARG QD . . 3.720 2.392 2.012 3.171 . 0 0 "[ . 1 . 2]" 1
1720 1 19 PHE QE 1 59 CYS QB . . 3.870 2.267 1.982 2.620 . 0 0 "[ . 1 . 2]" 1
1721 1 19 PHE HZ 1 21 ARG QD . . 4.470 4.243 3.401 4.471 0.001 11 0 "[ . 1 . 2]" 1
1722 1 19 PHE HZ 1 59 CYS QB . . 3.990 2.084 1.919 2.219 . 0 0 "[ . 1 . 2]" 1
1723 1 21 ARG H 1 21 ARG QG . . 4.270 3.504 3.356 4.040 . 0 0 "[ . 1 . 2]" 1
1724 1 21 ARG HA 1 59 CYS QB . . 3.800 2.819 2.463 3.443 . 0 0 "[ . 1 . 2]" 1
1725 1 21 ARG HB3 1 21 ARG QD . . 3.610 2.698 2.181 3.384 . 0 0 "[ . 1 . 2]" 1
1726 1 21 ARG QG 1 22 ASN H . . 4.250 3.257 1.951 3.667 . 0 0 "[ . 1 . 2]" 1
1727 1 21 ARG QG 1 59 CYS QB . . 3.650 2.938 2.696 3.230 . 0 0 "[ . 1 . 2]" 1
1728 1 22 ASN HD21 1 92 GLN QB . . 5.340 3.024 2.407 3.694 . 0 0 "[ . 1 . 2]" 1
1729 1 23 LEU H 1 58 GLY QA . . 4.070 2.870 2.297 3.427 . 0 0 "[ . 1 . 2]" 1
1730 1 23 LEU HB2 1 58 GLY QA . . 3.840 2.441 1.981 2.947 . 0 0 "[ . 1 . 2]" 1
1731 1 23 LEU HB3 1 58 GLY QA . . 4.690 3.652 3.189 4.265 . 0 0 "[ . 1 . 2]" 1
1732 1 24 SER H 1 24 SER QB . . 3.280 2.406 2.277 2.759 . 0 0 "[ . 1 . 2]" 1
1733 1 24 SER HA 1 25 PHE QB . . 4.560 4.384 4.116 4.549 . 0 0 "[ . 1 . 2]" 1
1734 1 24 SER QB 1 26 ASP H . . 4.260 3.026 2.487 3.553 . 0 0 "[ . 1 . 2]" 1
1735 1 24 SER QB 1 26 ASP QB . . 5.180 3.269 2.863 4.221 . 0 0 "[ . 1 . 2]" 1
1736 1 24 SER QB 1 27 SER H . . 3.880 2.632 2.204 3.583 . 0 0 "[ . 1 . 2]" 1
1737 1 24 SER QB 1 27 SER QB . . 4.600 3.049 2.419 3.753 . 0 0 "[ . 1 . 2]" 1
1738 1 24 SER QB 1 89 ASP QB . . 3.820 2.789 2.253 3.228 . 0 0 "[ . 1 . 2]" 1
1739 1 24 SER QB 1 91 ARG HG2 . . 4.040 3.660 3.274 4.040 0.000 3 0 "[ . 1 . 2]" 1
1740 1 24 SER QB 1 91 ARG HG3 . . 4.520 2.185 1.914 2.596 . 0 0 "[ . 1 . 2]" 1
1741 1 24 SER QB 1 91 ARG HD2 . . 4.430 3.151 1.989 3.807 . 0 0 "[ . 1 . 2]" 1
1742 1 25 PHE QB 1 26 ASP H . . 4.130 2.802 2.454 3.149 . 0 0 "[ . 1 . 2]" 1
1743 1 25 PHE QB 1 56 SER QB . . 4.270 3.955 3.562 4.268 . 0 0 "[ . 1 . 2]" 1
1744 1 25 PHE QD 1 56 SER QB . . 4.160 2.762 2.112 3.276 . 0 0 "[ . 1 . 2]" 1
1745 1 25 PHE QE 1 56 SER QB . . 4.410 4.067 3.128 4.413 0.003 10 0 "[ . 1 . 2]" 1
1746 1 26 ASP H 1 26 ASP QB . . 3.220 2.365 2.189 2.597 . 0 0 "[ . 1 . 2]" 1
1747 1 26 ASP QB 1 27 SER H . . 4.170 2.875 2.556 3.405 . 0 0 "[ . 1 . 2]" 1
1748 1 26 ASP QB 1 27 SER HA . . 4.820 4.027 3.834 4.340 . 0 0 "[ . 1 . 2]" 1
1749 1 30 GLU H 1 30 GLU QB . . 2.750 2.469 2.154 2.806 0.056 15 0 "[ . 1 . 2]" 1
1750 1 30 GLU QB 1 31 ALA H . . 3.140 2.439 2.008 3.116 . 0 0 "[ . 1 . 2]" 1
1751 1 30 GLU QB 1 31 ALA MB . . 4.180 3.782 3.513 4.210 0.030 18 0 "[ . 1 . 2]" 1
1752 1 31 ALA HA 1 34 GLU QG . . 4.250 3.620 3.251 4.056 . 0 0 "[ . 1 . 2]" 1
1753 1 33 GLY HA2 1 37 GLN QB . . 5.300 5.136 4.566 5.301 0.001 11 0 "[ . 1 . 2]" 1
1754 1 33 GLY HA3 1 37 GLN QB . . 5.340 5.144 4.544 5.305 . 0 0 "[ . 1 . 2]" 1
1755 1 34 GLU H 1 34 GLU QG . . 3.540 2.583 2.297 3.423 . 0 0 "[ . 1 . 2]" 1
1756 1 34 GLU HA 1 34 GLU QG . . 2.830 2.466 2.186 2.782 . 0 0 "[ . 1 . 2]" 1
1757 1 34 GLU HA 1 37 GLN QB . . 3.190 2.491 2.275 3.154 . 0 0 "[ . 1 . 2]" 1
1758 1 34 GLU HA 1 37 GLN QG . . 3.740 2.746 1.886 3.011 . 0 0 "[ . 1 . 2]" 1
1759 1 34 GLU HA 1 37 GLN QE . . 4.460 3.187 1.947 4.449 . 0 0 "[ . 1 . 2]" 1
1760 1 34 GLU QG 1 35 VAL H . . 4.760 4.470 4.350 4.711 . 0 0 "[ . 1 . 2]" 1
1761 1 36 LEU MD2 1 73 CYS QB . . 3.520 3.255 2.942 3.492 . 0 0 "[ . 1 . 2]" 1
1762 1 37 GLN H 1 37 GLN QB . . 3.060 2.300 2.167 2.436 . 0 0 "[ . 1 . 2]" 1
1763 1 37 GLN QB 1 38 GLN H . . 3.760 2.842 2.569 3.685 . 0 0 "[ . 1 . 2]" 1
1764 1 37 GLN QB 1 41 ASP HA . . 5.340 4.067 2.795 4.541 . 0 0 "[ . 1 . 2]" 1
1765 1 37 GLN QB 1 42 LEU H . . 5.340 4.238 2.651 4.748 . 0 0 "[ . 1 . 2]" 1
1766 1 37 GLN QB 1 42 LEU MD2 . . 5.340 5.233 4.245 5.342 0.002 2 0 "[ . 1 . 2]" 1
1767 1 37 GLN QG 1 42 LEU H . . 4.590 2.732 2.271 4.619 0.029 10 0 "[ . 1 . 2]" 1
1768 1 37 GLN QG 1 42 LEU HG . . 5.340 2.890 2.587 4.664 . 0 0 "[ . 1 . 2]" 1
1769 1 37 GLN QG 1 42 LEU MD1 . . 3.890 1.969 1.787 3.498 . 0 0 "[ . 1 . 2]" 1
1770 1 38 GLN H 1 38 GLN QG . . 3.160 2.563 2.330 2.716 . 0 0 "[ . 1 . 2]" 1
1771 1 38 GLN HA 1 38 GLN QG . . 3.440 3.316 3.294 3.338 . 0 0 "[ . 1 . 2]" 1
1772 1 38 GLN QG 1 39 PHE H . . 3.660 2.023 1.817 2.262 . 0 0 "[ . 1 . 2]" 1
1773 1 38 GLN QG 1 39 PHE HA . . 4.880 3.089 2.915 3.301 . 0 0 "[ . 1 . 2]" 1
1774 1 38 GLN QG 1 39 PHE QD . . 4.400 2.374 2.184 2.571 . 0 0 "[ . 1 . 2]" 1
1775 1 39 PHE H 1 40 GLY QA . . 5.170 4.550 4.419 4.732 . 0 0 "[ . 1 . 2]" 1
1776 1 39 PHE HA 1 72 LYS QD . . 4.400 4.076 3.533 4.302 . 0 0 "[ . 1 . 2]" 1
1777 1 39 PHE HB2 1 73 CYS QB . . 4.120 3.363 2.660 3.731 . 0 0 "[ . 1 . 2]" 1
1778 1 39 PHE HB3 1 73 CYS QB . . 4.560 3.903 3.466 4.164 . 0 0 "[ . 1 . 2]" 1
1779 1 39 PHE QD 1 72 LYS QG . . 4.420 4.247 4.054 4.389 . 0 0 "[ . 1 . 2]" 1
1780 1 39 PHE QD 1 72 LYS QD . . 4.170 3.547 3.341 3.761 . 0 0 "[ . 1 . 2]" 1
1781 1 39 PHE QD 1 73 CYS QB . . 3.460 3.305 3.029 3.456 . 0 0 "[ . 1 . 2]" 1
1782 1 40 GLY QA 1 64 PHE QD . . 4.700 2.786 2.356 3.317 . 0 0 "[ . 1 . 2]" 1
1783 1 40 GLY QA 1 69 ALA MB . . 3.030 2.289 1.950 2.405 . 0 0 "[ . 1 . 2]" 1
1784 1 41 ASP HA 1 65 MET QG . . 5.340 4.341 4.026 4.660 . 0 0 "[ . 1 . 2]" 1
1785 1 41 ASP HB2 1 65 MET QB . . 3.370 2.521 2.038 2.949 . 0 0 "[ . 1 . 2]" 1
1786 1 41 ASP HB2 1 65 MET QG . . 3.670 2.186 1.871 2.534 . 0 0 "[ . 1 . 2]" 1
1787 1 41 ASP HB3 1 65 MET QG . . 3.800 2.790 2.206 3.415 . 0 0 "[ . 1 . 2]" 1
1788 1 42 LEU H 1 65 MET QG . . 5.340 4.410 3.521 4.854 . 0 0 "[ . 1 . 2]" 1
1789 1 42 LEU HA 1 65 MET QG . . 4.740 3.981 3.335 4.268 . 0 0 "[ . 1 . 2]" 1
1790 1 43 LYS H 1 43 LYS QD . . 5.340 4.349 4.240 4.460 . 0 0 "[ . 1 . 2]" 1
1791 1 43 LYS H 1 65 MET QG . . 4.900 3.428 2.845 4.014 . 0 0 "[ . 1 . 2]" 1
1792 1 43 LYS HA 1 43 LYS QD . . 3.280 2.442 2.181 2.631 . 0 0 "[ . 1 . 2]" 1
1793 1 43 LYS HB2 1 65 MET QG . . 4.440 2.918 2.599 3.793 . 0 0 "[ . 1 . 2]" 1
1794 1 43 LYS QD 1 44 TYR QD . . 5.260 4.757 4.485 4.928 . 0 0 "[ . 1 . 2]" 1
1795 1 43 LYS QD 1 65 MET QG . . 5.050 3.561 2.852 4.488 . 0 0 "[ . 1 . 2]" 1
1796 1 43 LYS QD 1 65 MET ME . . 3.980 2.203 1.732 2.803 . 0 0 "[ . 1 . 2]" 1
1797 1 44 TYR QD 1 46 ARG QG . . 4.620 4.484 4.195 4.622 0.002 7 0 "[ . 1 . 2]" 1
1798 1 44 TYR QE 1 46 ARG QG . . 4.390 4.296 4.078 4.395 0.005 18 0 "[ . 1 . 2]" 1
1799 1 46 ARG H 1 46 ARG QG . . 4.570 4.186 4.099 4.284 . 0 0 "[ . 1 . 2]" 1
1800 1 46 ARG HA 1 46 ARG QG . . 3.420 2.389 2.282 2.603 . 0 0 "[ . 1 . 2]" 1
1801 1 46 ARG QG 1 47 VAL H . . 4.030 2.563 2.352 2.748 . 0 0 "[ . 1 . 2]" 1
1802 1 46 ARG QG 1 61 PHE H . . 5.340 5.173 5.021 5.299 . 0 0 "[ . 1 . 2]" 1
1803 1 47 VAL MG2 1 56 SER QB . . 3.890 3.448 2.793 3.891 0.001 17 0 "[ . 1 . 2]" 1
1804 1 48 VAL HA 1 49 LEU QB . . 5.340 4.418 4.279 4.544 . 0 0 "[ . 1 . 2]" 1
1805 1 48 VAL HB 1 57 LYS QB . . 4.900 4.702 3.965 4.903 0.003 12 0 "[ . 1 . 2]" 1
1806 1 48 VAL MG1 1 57 LYS QB . . 3.990 2.083 1.868 2.364 . 0 0 "[ . 1 . 2]" 1
1807 1 49 LEU H 1 49 LEU QB . . 3.180 2.582 2.477 2.705 . 0 0 "[ . 1 . 2]" 1
1808 1 49 LEU QB 1 49 LEU MD2 . . 3.040 2.157 2.017 2.279 . 0 0 "[ . 1 . 2]" 1
1809 1 49 LEU QB 1 54 GLU HA . . 3.680 3.049 2.606 3.416 . 0 0 "[ . 1 . 2]" 1
1810 1 49 LEU MD1 1 54 GLU QG . . 3.710 2.816 2.047 3.597 . 0 0 "[ . 1 . 2]" 1
1811 1 49 LEU MD2 1 54 GLU QG . . 4.030 3.679 2.999 4.039 0.009 15 0 "[ . 1 . 2]" 1
1812 1 49 LEU MD2 1 56 SER QB . . 3.540 3.160 2.190 3.547 0.007 17 0 "[ . 1 . 2]" 1
1813 1 50 HIS HA 1 51 PRO QD . . 2.950 1.980 1.940 1.994 . 0 0 "[ . 1 . 2]" 1
1814 1 50 HIS QB 1 51 PRO QD . . 4.430 3.204 3.159 3.310 . 0 0 "[ . 1 . 2]" 1
1815 1 50 HIS QB 1 53 THR H . . 5.180 2.362 1.880 4.952 . 0 0 "[ . 1 . 2]" 1
1816 1 50 HIS QB 1 53 THR MG . . 4.220 2.572 1.889 3.743 . 0 0 "[ . 1 . 2]" 1
1817 1 50 HIS HD2 1 55 HIS QB . . 4.550 4.370 3.925 4.567 0.017 17 0 "[ . 1 . 2]" 1
1818 1 50 HIS HD2 1 57 LYS QG . . 5.340 3.728 2.643 5.089 . 0 0 "[ . 1 . 2]" 1
1819 1 51 PRO QD 1 52 ASP H . . 4.940 2.862 2.602 4.845 . 0 0 "[ . 1 . 2]" 1
1820 1 51 PRO QD 1 52 ASP QB . . 5.150 4.013 3.868 4.910 . 0 0 "[ . 1 . 2]" 1
1821 1 51 PRO QD 1 57 LYS QD . . 5.130 3.561 2.314 4.302 . 0 0 "[ . 1 . 2]" 1
1822 1 53 THR HB 1 55 HIS QB . . 4.800 4.510 3.563 4.806 0.006 17 0 "[ . 1 . 2]" 1
1823 1 57 LYS H 1 57 LYS QG . . 4.470 3.095 1.970 4.063 . 0 0 "[ . 1 . 2]" 1
1824 1 57 LYS QB 1 57 LYS QE . . 4.090 3.025 2.083 3.785 . 0 0 "[ . 1 . 2]" 1
1825 1 57 LYS QE 1 57 LYS QG . . 3.460 2.250 2.021 2.714 . 0 0 "[ . 1 . 2]" 1
1826 1 59 CYS QB 1 60 ALA H . . 3.380 2.508 2.272 2.889 . 0 0 "[ . 1 . 2]" 1
1827 1 59 CYS QB 1 60 ALA HA . . 5.340 4.083 3.886 4.310 . 0 0 "[ . 1 . 2]" 1
1828 1 59 CYS QB 1 60 ALA MB . . 4.850 4.369 4.180 4.493 . 0 0 "[ . 1 . 2]" 1
1829 1 64 PHE HB3 1 65 MET QB . . 5.340 4.229 4.055 4.373 . 0 0 "[ . 1 . 2]" 1
1830 1 64 PHE QD 1 73 CYS QB . . 5.030 4.094 3.744 4.364 . 0 0 "[ . 1 . 2]" 1
1831 1 64 PHE HZ 1 73 CYS QB . . 3.860 2.510 2.201 2.869 . 0 0 "[ . 1 . 2]" 1
1832 1 65 MET H 1 65 MET QB . . 3.050 2.251 2.172 2.417 . 0 0 "[ . 1 . 2]" 1
1833 1 65 MET H 1 65 MET QG . . 3.190 2.979 2.417 3.189 . 0 0 "[ . 1 . 2]" 1
1834 1 65 MET HA 1 65 MET QG . . 3.390 2.376 2.174 2.974 . 0 0 "[ . 1 . 2]" 1
1835 1 65 MET QB 1 66 THR H . . 3.560 3.036 2.802 3.327 . 0 0 "[ . 1 . 2]" 1
1836 1 65 MET QB 1 66 THR MG . . 3.180 2.822 2.508 2.959 . 0 0 "[ . 1 . 2]" 1
1837 1 65 MET ME 1 65 MET QG . . 3.110 2.109 1.966 2.336 . 0 0 "[ . 1 . 2]" 1
1838 1 65 MET QG 1 66 THR MG . . 4.840 4.659 4.307 4.829 . 0 0 "[ . 1 . 2]" 1
1839 1 66 THR HB 1 68 GLU QB . . 3.850 3.356 3.169 3.664 . 0 0 "[ . 1 . 2]" 1
1840 1 66 THR MG 1 68 GLU QB . . 4.530 4.345 4.200 4.422 . 0 0 "[ . 1 . 2]" 1
1841 1 67 GLN H 1 67 GLN QG . . 3.840 2.638 2.270 3.757 . 0 0 "[ . 1 . 2]" 1
1842 1 68 GLU H 1 68 GLU QB . . 2.930 2.126 2.120 2.144 . 0 0 "[ . 1 . 2]" 1
1843 1 68 GLU QB 1 69 ALA H . . 3.340 2.634 2.431 2.933 . 0 0 "[ . 1 . 2]" 1
1844 1 68 GLU QB 1 69 ALA MB . . 4.350 3.881 3.770 3.982 . 0 0 "[ . 1 . 2]" 1
1845 1 68 GLU QB 1 72 LYS QE . . 4.580 3.006 2.587 3.480 . 0 0 "[ . 1 . 2]" 1
1846 1 69 ALA HA 1 72 LYS QG . . 4.290 3.459 2.868 3.605 . 0 0 "[ . 1 . 2]" 1
1847 1 69 ALA HA 1 72 LYS QD . . 3.720 2.589 2.491 2.665 . 0 0 "[ . 1 . 2]" 1
1848 1 70 ALA MB 1 71 GLN QE . . 4.340 1.907 1.815 1.976 . 0 0 "[ . 1 . 2]" 1
1849 1 70 ALA MB 1 73 CYS QB . . 4.580 3.961 3.893 3.996 . 0 0 "[ . 1 . 2]" 1
1850 1 71 GLN H 1 71 GLN QE . . 4.780 1.801 1.790 1.882 . 0 0 "[ . 1 . 2]" 1
1851 1 71 GLN QE 1 74 LEU MD1 . . 4.430 2.371 2.030 2.782 . 0 0 "[ . 1 . 2]" 1
1852 1 72 LYS H 1 72 LYS QG . . 3.380 2.395 2.079 2.631 . 0 0 "[ . 1 . 2]" 1
1853 1 72 LYS H 1 72 LYS QD . . 3.920 3.824 3.724 3.919 . 0 0 "[ . 1 . 2]" 1
1854 1 72 LYS HA 1 72 LYS QG . . 2.910 2.366 2.305 2.479 . 0 0 "[ . 1 . 2]" 1
1855 1 72 LYS HB2 1 72 LYS QD . . 2.880 2.380 2.305 2.441 . 0 0 "[ . 1 . 2]" 1
1856 1 72 LYS HB3 1 72 LYS QG . . 2.620 2.337 2.317 2.365 . 0 0 "[ . 1 . 2]" 1
1857 1 72 LYS QD 1 72 LYS QG . . 2.310 2.091 2.085 2.092 . 0 0 "[ . 1 . 2]" 1
1858 1 72 LYS QE 1 72 LYS QG . . 3.370 2.167 2.102 2.361 . 0 0 "[ . 1 . 2]" 1
1859 1 72 LYS QG 1 73 CYS H . . 5.120 4.291 4.043 4.372 . 0 0 "[ . 1 . 2]" 1
1860 1 73 CYS H 1 73 CYS QB . . 2.980 2.224 2.185 2.259 . 0 0 "[ . 1 . 2]" 1
1861 1 73 CYS QB 1 74 LEU H . . 3.300 2.776 2.536 3.009 . 0 0 "[ . 1 . 2]" 1
1862 1 73 CYS QB 1 74 LEU HG . . 5.340 3.516 3.390 3.649 . 0 0 "[ . 1 . 2]" 1
1863 1 74 LEU MD2 1 96 ASP QB . . 4.310 3.614 3.381 3.839 . 0 0 "[ . 1 . 2]" 1
1864 1 77 ALA H 1 78 SER QB . . 5.340 4.246 4.043 4.371 . 0 0 "[ . 1 . 2]" 1
1865 1 77 ALA HA 1 86 LEU QB . . 3.830 2.405 2.181 2.603 . 0 0 "[ . 1 . 2]" 1
1866 1 77 ALA MB 1 78 SER QB . . 4.730 3.842 3.605 4.174 . 0 0 "[ . 1 . 2]" 1
1867 1 78 SER H 1 79 LEU QD . . 5.440 5.271 4.893 5.440 0.000 10 0 "[ . 1 . 2]" 1
1868 1 78 SER QB 1 79 LEU H . . 4.150 3.880 3.756 3.964 . 0 0 "[ . 1 . 2]" 1
1869 1 78 SER QB 1 80 GLU H . . 4.270 3.537 3.198 4.000 . 0 0 "[ . 1 . 2]" 1
1870 1 78 SER QB 1 81 ALA H . . 4.150 2.574 2.140 3.601 . 0 0 "[ . 1 . 2]" 1
1871 1 78 SER QB 1 81 ALA MB . . 3.220 2.108 1.828 2.429 . 0 0 "[ . 1 . 2]" 1
1872 1 79 LEU HA 1 79 LEU QD . . 3.560 3.309 2.946 3.422 . 0 0 "[ . 1 . 2]" 1
1873 1 79 LEU HB3 1 79 LEU QD . . 2.660 2.141 1.961 2.397 . 0 0 "[ . 1 . 2]" 1
1874 1 79 LEU QD 1 80 GLU H . . 4.580 2.205 1.788 3.100 . 0 0 "[ . 1 . 2]" 1
1875 1 79 LEU QD 1 85 GLY H . . 5.440 4.843 3.869 5.438 . 0 0 "[ . 1 . 2]" 1
1876 1 79 LEU QD 1 85 GLY HA2 . . 5.090 4.623 3.763 5.007 . 0 0 "[ . 1 . 2]" 1
1877 1 79 LEU QD 1 85 GLY HA3 . . 4.680 3.872 3.361 4.412 . 0 0 "[ . 1 . 2]" 1
1878 1 80 GLU H 1 80 GLU QB . . 3.300 2.437 2.139 2.820 . 0 0 "[ . 1 . 2]" 1
1879 1 81 ALA HA 1 82 GLU QB . . 5.000 4.642 4.332 4.879 . 0 0 "[ . 1 . 2]" 1
1880 1 82 GLU H 1 82 GLU QB . . 3.280 2.664 2.346 3.300 0.020 7 0 "[ . 1 . 2]" 1
1881 1 84 GLY QA 1 85 GLY H . . 2.830 2.255 2.115 2.761 . 0 0 "[ . 1 . 2]" 1
1882 1 85 GLY HA2 1 86 LEU QB . . 5.340 4.201 4.124 4.456 . 0 0 "[ . 1 . 2]" 1
1883 1 85 GLY HA2 1 92 GLN QE . . 4.070 3.585 3.029 3.931 . 0 0 "[ . 1 . 2]" 1
1884 1 86 LEU H 1 92 GLN QE . . 4.190 3.049 2.238 3.739 . 0 0 "[ . 1 . 2]" 1
1885 1 86 LEU QB 1 86 LEU MD2 . . 2.920 2.054 2.002 2.098 . 0 0 "[ . 1 . 2]" 1
1886 1 86 LEU QB 1 87 LYS H . . 3.750 2.828 2.530 3.052 . 0 0 "[ . 1 . 2]" 1
1887 1 86 LEU QB 1 93 LEU MD1 . . 3.590 2.425 2.101 2.684 . 0 0 "[ . 1 . 2]" 1
1888 1 87 LYS QB 1 90 GLY QA . . 5.340 3.247 2.956 3.645 . 0 0 "[ . 1 . 2]" 1
1889 1 87 LYS HG2 1 92 GLN QB . . 4.920 3.694 3.441 4.022 . 0 0 "[ . 1 . 2]" 1
1890 1 87 LYS HG2 1 92 GLN QG . . 4.730 2.934 2.014 4.070 . 0 0 "[ . 1 . 2]" 1
1891 1 87 LYS QD 1 90 GLY QA . . 4.310 3.123 2.520 3.595 . 0 0 "[ . 1 . 2]" 1
1892 1 87 LYS QE 1 92 GLN QB . . 4.850 3.505 2.339 4.911 0.061 17 0 "[ . 1 . 2]" 1
1893 1 88 LEU HG 1 89 ASP QB . . 4.160 3.644 3.156 4.158 . 0 0 "[ . 1 . 2]" 1
1894 1 88 LEU MD1 1 89 ASP QB . . 5.340 4.826 4.471 5.251 . 0 0 "[ . 1 . 2]" 1
1895 1 88 LEU MD2 1 89 ASP QB . . 5.190 3.948 3.477 4.989 . 0 0 "[ . 1 . 2]" 1
1896 1 91 ARG HA 1 92 GLN QB . . 4.590 4.056 4.026 4.164 . 0 0 "[ . 1 . 2]" 1
1897 1 92 GLN H 1 92 GLN QB . . 3.020 2.163 2.132 2.231 . 0 0 "[ . 1 . 2]" 1
1898 1 92 GLN H 1 92 GLN QG . . 4.390 3.737 2.831 4.080 . 0 0 "[ . 1 . 2]" 1
1899 1 92 GLN HA 1 92 GLN QG . . 3.620 2.370 2.132 2.820 . 0 0 "[ . 1 . 2]" 1
1900 1 92 GLN HA 1 92 GLN QE . . 5.280 3.199 2.370 4.020 . 0 0 "[ . 1 . 2]" 1
1901 1 92 GLN QB 1 93 LEU H . . 4.310 3.653 2.824 3.901 . 0 0 "[ . 1 . 2]" 1
1902 1 92 GLN QG 1 93 LEU H . . 4.260 3.512 2.762 4.277 0.017 17 0 "[ . 1 . 2]" 1
1903 1 95 VAL HA 1 96 ASP QB . . 4.130 4.046 4.012 4.084 . 0 0 "[ . 1 . 2]" 1
1904 1 95 VAL MG1 1 96 ASP QB . . 5.340 4.315 4.222 4.381 . 0 0 "[ . 1 . 2]" 1
1905 1 96 ASP H 1 96 ASP QB . . 3.570 2.666 2.585 2.725 . 0 0 "[ . 1 . 2]" 1
1906 1 96 ASP QB 1 97 LEU H . . 3.600 3.532 3.474 3.572 . 0 0 "[ . 1 . 2]" 1
1907 1 98 ALA HA 1 99 VAL QG . . 3.980 3.455 3.153 3.886 . 0 0 "[ . 1 . 2]" 1
1908 1 98 ALA MB 1 99 VAL QG . . 4.300 3.767 3.360 4.022 . 0 0 "[ . 1 . 2]" 1
1909 1 99 VAL H 1 99 VAL QG . . 3.500 2.543 1.894 3.020 . 0 0 "[ . 1 . 2]" 1
1910 1 99 VAL HA 1 99 VAL QG . . 3.140 2.214 2.085 2.350 . 0 0 "[ . 1 . 2]" 1
1911 1 99 VAL QG 1 100 THR H . . 3.510 2.402 1.938 2.920 . 0 0 "[ . 1 . 2]" 1
1912 1 99 VAL QG 1 100 THR HA . . 4.130 3.798 3.349 4.108 . 0 0 "[ . 1 . 2]" 1
1913 1 99 VAL QG 1 100 THR HB . . 4.680 4.114 3.240 4.664 . 0 0 "[ . 1 . 2]" 1
1914 1 99 VAL QG 1 101 ARG HA . . 4.550 4.080 3.377 4.552 0.002 14 0 "[ . 1 . 2]" 1
1915 1 99 VAL QG 1 101 ARG QB . . 4.110 2.969 2.157 4.049 . 0 0 "[ . 1 . 2]" 1
1916 1 99 VAL QG 1 101 ARG QG . . 4.740 3.662 2.058 4.711 . 0 0 "[ . 1 . 2]" 1
1917 1 101 ARG QB 1 101 ARG QD . . 3.080 2.199 2.074 2.545 . 0 0 "[ . 1 . 2]" 1
1918 1 102 ASP QB 1 103 GLU H . . 4.140 3.539 2.696 4.027 . 0 0 "[ . 1 . 2]" 1
1919 1 102 ASP QB 1 104 ALA MB . . 4.530 3.368 3.028 4.189 . 0 0 "[ . 1 . 2]" 1
1920 1 103 GLU H 1 103 GLU QG . . 4.420 3.133 1.900 4.127 . 0 0 "[ . 1 . 2]" 1
1921 1 103 GLU QB 1 104 ALA H . . 4.440 3.814 2.410 4.045 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 78
_Distance_constraint_stats_list.Viol_total 276.066
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0751
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1725
_Distance_constraint_stats_list.Viol_average_violations_only 0.1770
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 19 PHE 9.052 0.254 19 0 "[ . 1 . 2]"
1 21 ARG 4.751 0.238 16 0 "[ . 1 . 2]"
1 94 LYS 4.751 0.238 16 0 "[ . 1 . 2]"
1 96 ASP 9.052 0.254 19 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 19 PHE O 1 96 ASP H . . 1.800 2.038 2.019 2.054 0.254 19 0 "[ . 1 . 2]" 2
2 1 19 PHE O 1 96 ASP N . . 2.700 2.915 2.890 2.941 0.241 1 0 "[ . 1 . 2]" 2
3 1 21 ARG H 1 94 LYS O . . 1.800 1.982 1.916 2.038 0.238 16 0 "[ . 1 . 2]" 2
4 1 21 ARG N 1 94 LYS O . . 2.700 2.755 2.697 2.826 0.126 14 0 "[ . 1 . 2]" 2
stop_
save_
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