NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404722 |
1x4c   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4c
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 1794
_Distance_constraint_stats_list.Viol_count 259
_Distance_constraint_stats_list.Viol_total 157.569
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0304
_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 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.419 0.073 3 0 "[ . 1 . 2]"
1 13 ARG 6.453 0.197 17 0 "[ . 1 . 2]"
1 14 SER 6.843 0.197 17 0 "[ . 1 . 2]"
1 15 GLU 0.122 0.035 15 0 "[ . 1 . 2]"
1 16 ASN 0.009 0.009 10 0 "[ . 1 . 2]"
1 17 ARG 0.014 0.005 18 0 "[ . 1 . 2]"
1 18 VAL 0.031 0.011 16 0 "[ . 1 . 2]"
1 19 VAL 0.072 0.034 5 0 "[ . 1 . 2]"
1 20 VAL 0.014 0.010 16 0 "[ . 1 . 2]"
1 21 SER 0.009 0.004 3 0 "[ . 1 . 2]"
1 22 GLY 0.003 0.003 5 0 "[ . 1 . 2]"
1 23 LEU 0.018 0.005 16 0 "[ . 1 . 2]"
1 24 PRO 0.001 0.001 9 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.007 0.007 3 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 15 0 "[ . 1 . 2]"
1 29 TRP 0.009 0.006 1 0 "[ . 1 . 2]"
1 30 GLN 0.019 0.016 19 0 "[ . 1 . 2]"
1 31 ASP 0.000 0.000 15 0 "[ . 1 . 2]"
1 32 LEU 0.018 0.009 19 0 "[ . 1 . 2]"
1 33 LYS 0.024 0.016 19 0 "[ . 1 . 2]"
1 34 ASP 0.024 0.010 19 0 "[ . 1 . 2]"
1 35 HIS 0.007 0.004 19 0 "[ . 1 . 2]"
1 36 MET 0.029 0.007 8 0 "[ . 1 . 2]"
1 37 ARG 0.057 0.017 14 0 "[ . 1 . 2]"
1 38 GLU 0.192 0.031 15 0 "[ . 1 . 2]"
1 39 ALA 0.077 0.024 15 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.027 0.008 18 0 "[ . 1 . 2]"
1 42 VAL 0.009 0.003 15 0 "[ . 1 . 2]"
1 43 CYS 0.001 0.001 15 0 "[ . 1 . 2]"
1 44 TYR 0.003 0.002 18 0 "[ . 1 . 2]"
1 45 ALA 0.009 0.006 1 0 "[ . 1 . 2]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.045 0.017 6 0 "[ . 1 . 2]"
1 48 TYR 0.065 0.030 6 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.054 0.030 6 0 "[ . 1 . 2]"
1 51 GLY 0.002 0.002 15 0 "[ . 1 . 2]"
1 52 THR 0.005 0.004 3 0 "[ . 1 . 2]"
1 53 GLY 0.023 0.009 19 0 "[ . 1 . 2]"
1 54 VAL 0.050 0.017 6 0 "[ . 1 . 2]"
1 55 VAL 0.039 0.010 16 0 "[ . 1 . 2]"
1 56 GLU 0.014 0.005 16 0 "[ . 1 . 2]"
1 57 PHE 0.014 0.011 16 0 "[ . 1 . 2]"
1 58 VAL 0.025 0.008 18 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 0.002 0.001 15 0 "[ . 1 . 2]"
1 64 THR 0.001 0.001 15 0 "[ . 1 . 2]"
1 65 TYR 0.010 0.004 6 0 "[ . 1 . 2]"
1 66 ALA 0.015 0.005 15 0 "[ . 1 . 2]"
1 67 VAL 0.041 0.007 19 0 "[ . 1 . 2]"
1 68 ARG 0.015 0.006 19 0 "[ . 1 . 2]"
1 69 LYS 0.004 0.002 16 0 "[ . 1 . 2]"
1 70 LEU 0.136 0.031 15 0 "[ . 1 . 2]"
1 71 ASP 0.014 0.004 1 0 "[ . 1 . 2]"
1 72 ASN 0.003 0.003 16 0 "[ . 1 . 2]"
1 73 THR 0.035 0.026 19 0 "[ . 1 . 2]"
1 74 LYS 0.017 0.007 8 0 "[ . 1 . 2]"
1 75 PHE 0.021 0.012 19 0 "[ . 1 . 2]"
1 76 ARG 0.001 0.001 16 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.023 0.017 3 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.016 0.014 11 0 "[ . 1 . 2]"
1 82 THR 0.008 0.007 8 0 "[ . 1 . 2]"
1 83 ALA 0.009 0.005 1 0 "[ . 1 . 2]"
1 84 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ILE 0.024 0.012 19 0 "[ . 1 . 2]"
1 86 ARG 0.005 0.003 16 0 "[ . 1 . 2]"
1 87 VAL 0.021 0.006 8 0 "[ . 1 . 2]"
1 88 LYS 0.032 0.008 5 0 "[ . 1 . 2]"
1 89 VAL 0.057 0.021 5 0 "[ . 1 . 2]"
1 90 ASP 0.038 0.021 5 0 "[ . 1 . 2]"
1 91 GLY 0.034 0.034 5 0 "[ . 1 . 2]"
1 92 PRO 0.058 0.057 20 0 "[ . 1 . 2]"
1 93 ARG 0.058 0.057 20 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 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 75 PHE H 1 75 PHE HB3 . . 3.750 2.300 2.235 2.363 . 0 0 "[ . 1 . 2]" 1
2 1 76 ARG H 1 76 ARG HB2 . . 3.980 2.913 2.694 3.102 . 0 0 "[ . 1 . 2]" 1
3 1 75 PHE QD 1 76 ARG H . . 4.450 3.358 3.027 3.655 . 0 0 "[ . 1 . 2]" 1
4 1 75 PHE HA 1 76 ARG H . . 3.060 2.183 2.142 2.252 . 0 0 "[ . 1 . 2]" 1
5 1 76 ARG H 1 76 ARG HB3 . . 3.980 2.617 2.450 2.796 . 0 0 "[ . 1 . 2]" 1
6 1 41 ASP HA 1 42 VAL H . . 2.880 2.205 2.163 2.337 . 0 0 "[ . 1 . 2]" 1
7 1 41 ASP QB 1 42 VAL H . . 3.950 3.049 2.832 3.324 . 0 0 "[ . 1 . 2]" 1
8 1 42 VAL H 1 42 VAL HB . . 3.380 2.461 2.377 2.559 . 0 0 "[ . 1 . 2]" 1
9 1 42 VAL H 1 42 VAL MG2 . . 3.370 2.692 2.432 3.164 . 0 0 "[ . 1 . 2]" 1
10 1 60 LYS H 1 60 LYS HB2 . . 3.760 2.452 2.189 2.680 . 0 0 "[ . 1 . 2]" 1
11 1 60 LYS H 1 60 LYS HB3 . . 3.760 2.647 2.384 2.972 . 0 0 "[ . 1 . 2]" 1
12 1 44 TYR HA 1 45 ALA H . . 3.040 2.186 2.147 2.223 . 0 0 "[ . 1 . 2]" 1
13 1 44 TYR QD 1 45 ALA H . . 4.110 2.476 1.911 3.611 . 0 0 "[ . 1 . 2]" 1
14 1 20 VAL H 1 20 VAL HB . . 3.730 2.833 2.705 2.918 . 0 0 "[ . 1 . 2]" 1
15 1 20 VAL H 1 20 VAL MG2 . . 3.360 2.490 2.287 2.678 . 0 0 "[ . 1 . 2]" 1
16 1 56 GLU H 1 56 GLU HB3 . . 3.690 3.031 2.851 3.207 . 0 0 "[ . 1 . 2]" 1
17 1 55 VAL HA 1 56 GLU H . . 3.200 2.219 2.180 2.280 . 0 0 "[ . 1 . 2]" 1
18 1 56 GLU H 1 56 GLU HB2 . . 3.690 2.669 2.428 2.883 . 0 0 "[ . 1 . 2]" 1
19 1 42 VAL MG1 1 56 GLU H . . 3.930 3.235 2.877 3.696 . 0 0 "[ . 1 . 2]" 1
20 1 47 VAL MG1 1 48 TYR H . . 4.580 3.768 3.324 3.938 . 0 0 "[ . 1 . 2]" 1
21 1 47 VAL MG2 1 48 TYR H . . 4.920 3.756 3.465 4.027 . 0 0 "[ . 1 . 2]" 1
22 1 27 GLY HA2 1 28 SER H . . 3.360 2.174 2.137 2.288 . 0 0 "[ . 1 . 2]" 1
23 1 27 GLY HA3 1 28 SER H . . 3.360 3.149 2.885 3.336 . 0 0 "[ . 1 . 2]" 1
24 1 28 SER H 1 31 ASP HB3 . . 4.260 3.664 2.846 4.143 . 0 0 "[ . 1 . 2]" 1
25 1 28 SER H 1 28 SER HB2 . . 3.820 2.936 2.483 3.819 . 0 0 "[ . 1 . 2]" 1
26 1 17 ARG H 1 18 VAL H . . 4.520 4.416 4.290 4.510 . 0 0 "[ . 1 . 2]" 1
27 1 16 ASN H 1 17 ARG H . . 3.980 2.839 2.044 3.757 . 0 0 "[ . 1 . 2]" 1
28 1 16 ASN HA 1 17 ARG H . . 2.890 2.716 2.476 2.878 . 0 0 "[ . 1 . 2]" 1
29 1 17 ARG H 1 56 GLU QG . . 3.810 3.565 3.176 3.803 . 0 0 "[ . 1 . 2]" 1
30 1 17 ARG H 1 17 ARG HB2 . . 3.310 2.932 2.772 3.172 . 0 0 "[ . 1 . 2]" 1
31 1 17 ARG H 1 17 ARG HB3 . . 3.310 2.655 2.515 2.767 . 0 0 "[ . 1 . 2]" 1
32 1 17 ARG H 1 90 ASP HB3 . . 4.060 3.802 3.518 4.038 . 0 0 "[ . 1 . 2]" 1
33 1 71 ASP HA 1 72 ASN H . . 3.400 2.156 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
34 1 75 PHE H 1 83 ALA H . . 3.960 2.913 2.715 3.096 . 0 0 "[ . 1 . 2]" 1
35 1 82 THR HA 1 83 ALA H . . 3.060 2.263 2.178 2.374 . 0 0 "[ . 1 . 2]" 1
36 1 76 ARG HA 1 83 ALA H . . 3.870 3.686 3.428 3.784 . 0 0 "[ . 1 . 2]" 1
37 1 82 THR HB 1 83 ALA H . . 3.500 2.816 2.487 3.185 . 0 0 "[ . 1 . 2]" 1
38 1 75 PHE HB3 1 83 ALA H . . 4.380 3.877 3.726 4.047 . 0 0 "[ . 1 . 2]" 1
39 1 88 LYS H 1 88 LYS HG2 . . 4.190 2.572 2.290 4.053 . 0 0 "[ . 1 . 2]" 1
40 1 87 VAL MG1 1 88 LYS H . . 3.230 2.211 1.973 2.530 . 0 0 "[ . 1 . 2]" 1
41 1 19 VAL H 1 88 LYS H . . 3.840 2.856 2.686 3.017 . 0 0 "[ . 1 . 2]" 1
42 1 20 VAL HA 1 88 LYS H . . 4.470 4.291 3.978 4.475 0.005 6 0 "[ . 1 . 2]" 1
43 1 87 VAL HA 1 88 LYS H . . 2.970 2.192 2.166 2.217 . 0 0 "[ . 1 . 2]" 1
44 1 18 VAL HB 1 88 LYS H . . 4.070 2.863 2.684 3.027 . 0 0 "[ . 1 . 2]" 1
45 1 87 VAL HB 1 88 LYS H . . 4.250 3.943 3.849 4.068 . 0 0 "[ . 1 . 2]" 1
46 1 67 VAL MG1 1 88 LYS H . . 3.420 3.309 3.102 3.427 0.007 19 0 "[ . 1 . 2]" 1
47 1 30 GLN H 1 31 ASP H . . 2.900 2.800 2.731 2.870 . 0 0 "[ . 1 . 2]" 1
48 1 29 TRP HE3 1 30 GLN H . . 4.450 3.794 3.624 3.977 . 0 0 "[ . 1 . 2]" 1
49 1 30 GLN H 1 30 GLN HB2 . . 3.550 2.085 2.064 2.217 . 0 0 "[ . 1 . 2]" 1
50 1 30 GLN H 1 30 GLN HB3 . . 3.550 3.275 3.097 3.514 . 0 0 "[ . 1 . 2]" 1
51 1 30 GLN H 1 30 GLN HG3 . . 4.540 3.554 2.862 3.919 . 0 0 "[ . 1 . 2]" 1
52 1 65 TYR H 1 67 VAL MG2 . . 4.840 3.900 3.702 4.162 . 0 0 "[ . 1 . 2]" 1
53 1 43 CYS H 1 57 PHE HA . . 3.880 2.965 2.684 3.205 . 0 0 "[ . 1 . 2]" 1
54 1 65 TYR H 1 65 TYR QD . . 4.250 4.128 4.051 4.183 . 0 0 "[ . 1 . 2]" 1
55 1 62 ASP HA 1 65 TYR H . . 3.860 3.564 3.317 3.745 . 0 0 "[ . 1 . 2]" 1
56 1 65 TYR H 1 65 TYR QB . . 2.900 2.250 2.200 2.287 . 0 0 "[ . 1 . 2]" 1
57 1 64 THR MG 1 65 TYR H . . 3.950 3.818 3.607 3.945 . 0 0 "[ . 1 . 2]" 1
58 1 44 TYR H 1 56 GLU H . . 3.860 2.813 2.663 2.986 . 0 0 "[ . 1 . 2]" 1
59 1 43 CYS H 1 44 TYR H . . 3.200 1.970 1.866 2.076 . 0 0 "[ . 1 . 2]" 1
60 1 42 VAL HA 1 44 TYR H . . 4.040 3.821 3.696 4.015 . 0 0 "[ . 1 . 2]" 1
61 1 44 TYR H 1 44 TYR HB3 . . 3.860 2.801 2.675 2.927 . 0 0 "[ . 1 . 2]" 1
62 1 44 TYR H 1 56 GLU HB2 . . 4.150 3.965 3.709 4.152 0.002 18 0 "[ . 1 . 2]" 1
63 1 44 TYR H 1 56 GLU HB3 . . 4.150 3.135 2.875 3.503 . 0 0 "[ . 1 . 2]" 1
64 1 42 VAL MG1 1 44 TYR H . . 3.310 2.106 1.907 2.396 . 0 0 "[ . 1 . 2]" 1
65 1 42 VAL MG1 1 43 CYS H . . 3.550 2.141 1.865 2.423 . 0 0 "[ . 1 . 2]" 1
66 1 42 VAL HA 1 43 CYS H . . 3.170 2.210 2.168 2.305 . 0 0 "[ . 1 . 2]" 1
67 1 31 ASP H 1 32 LEU H . . 3.760 2.449 2.329 2.641 . 0 0 "[ . 1 . 2]" 1
68 1 31 ASP HB2 1 32 LEU H . . 4.300 2.823 2.290 3.688 . 0 0 "[ . 1 . 2]" 1
69 1 31 ASP HB3 1 32 LEU H . . 4.300 3.101 2.434 3.777 . 0 0 "[ . 1 . 2]" 1
70 1 32 LEU H 1 32 LEU HB3 . . 3.430 2.306 2.178 2.473 . 0 0 "[ . 1 . 2]" 1
71 1 32 LEU H 1 32 LEU HB2 . . 3.430 2.734 2.538 2.889 . 0 0 "[ . 1 . 2]" 1
72 1 86 ARG HD2 1 87 VAL H . . 4.970 3.621 2.472 4.880 . 0 0 "[ . 1 . 2]" 1
73 1 86 ARG HA 1 87 VAL H . . 3.340 2.202 2.144 2.339 . 0 0 "[ . 1 . 2]" 1
74 1 71 ASP HA 1 87 VAL H . . 3.820 2.386 2.184 2.616 . 0 0 "[ . 1 . 2]" 1
75 1 87 VAL H 1 87 VAL HB . . 3.480 2.766 2.681 2.882 . 0 0 "[ . 1 . 2]" 1
76 1 87 VAL H 1 87 VAL MG2 . . 3.650 2.583 2.309 2.897 . 0 0 "[ . 1 . 2]" 1
77 1 62 ASP H 1 62 ASP HB3 . . 4.000 3.564 3.503 3.622 . 0 0 "[ . 1 . 2]" 1
78 1 59 ARG HB2 1 62 ASP H . . 4.210 3.021 2.624 3.382 . 0 0 "[ . 1 . 2]" 1
79 1 61 GLU QB 1 62 ASP H . . 4.140 2.518 2.274 2.773 . 0 0 "[ . 1 . 2]" 1
80 1 59 ARG HB3 1 62 ASP H . . 4.210 3.337 3.004 3.601 . 0 0 "[ . 1 . 2]" 1
81 1 77 SER H 1 81 GLU H . . 4.240 3.752 3.219 4.156 . 0 0 "[ . 1 . 2]" 1
82 1 77 SER H 1 82 THR HA . . 4.340 3.594 3.310 3.830 . 0 0 "[ . 1 . 2]" 1
83 1 76 ARG HA 1 77 SER H . . 3.250 2.185 2.151 2.220 . 0 0 "[ . 1 . 2]" 1
84 1 76 ARG HG2 1 77 SER H . . 4.560 2.575 2.169 3.218 . 0 0 "[ . 1 . 2]" 1
85 1 77 SER H 1 82 THR MG . . 4.360 4.035 3.713 4.300 . 0 0 "[ . 1 . 2]" 1
86 1 88 LYS HA 1 89 VAL H . . 3.040 2.293 2.231 2.380 . 0 0 "[ . 1 . 2]" 1
87 1 89 VAL H 1 89 VAL HB . . 3.190 2.636 2.575 2.699 . 0 0 "[ . 1 . 2]" 1
88 1 88 LYS HB3 1 89 VAL H . . 4.120 3.978 3.850 4.118 . 0 0 "[ . 1 . 2]" 1
89 1 89 VAL H 1 89 VAL MG1 . . 3.070 1.932 1.880 2.093 . 0 0 "[ . 1 . 2]" 1
90 1 67 VAL MG1 1 89 VAL H . . 3.200 2.453 2.083 2.706 . 0 0 "[ . 1 . 2]" 1
91 1 66 ALA H 1 67 VAL MG1 . . 4.830 4.361 4.247 4.472 . 0 0 "[ . 1 . 2]" 1
92 1 65 TYR H 1 66 ALA H . . 3.230 2.410 2.301 2.521 . 0 0 "[ . 1 . 2]" 1
93 1 66 ALA H 1 67 VAL H . . 3.590 2.693 2.590 2.798 . 0 0 "[ . 1 . 2]" 1
94 1 65 TYR QD 1 66 ALA H . . 3.770 3.194 2.923 3.462 . 0 0 "[ . 1 . 2]" 1
95 1 62 ASP HA 1 66 ALA H . . 4.700 4.054 3.753 4.382 . 0 0 "[ . 1 . 2]" 1
96 1 65 TYR QB 1 66 ALA H . . 3.130 2.658 2.532 2.819 . 0 0 "[ . 1 . 2]" 1
97 1 39 ALA MB 1 66 ALA H . . 3.200 2.833 2.556 3.127 . 0 0 "[ . 1 . 2]" 1
98 1 66 ALA H 1 66 ALA MB . . 2.980 2.203 2.137 2.239 . 0 0 "[ . 1 . 2]" 1
99 1 84 TYR H 1 84 TYR QD . . 3.560 2.613 1.909 2.975 . 0 0 "[ . 1 . 2]" 1
100 1 83 ALA MB 1 84 TYR H . . 3.310 3.002 2.847 3.093 . 0 0 "[ . 1 . 2]" 1
101 1 83 ALA HA 1 84 TYR H . . 3.010 2.174 2.162 2.210 . 0 0 "[ . 1 . 2]" 1
102 1 84 TYR H 1 84 TYR HB2 . . 3.110 2.631 2.333 2.737 . 0 0 "[ . 1 . 2]" 1
103 1 57 PHE H 1 57 PHE QD . . 3.670 2.714 2.455 3.072 . 0 0 "[ . 1 . 2]" 1
104 1 56 GLU HA 1 57 PHE H . . 3.220 2.148 2.139 2.159 . 0 0 "[ . 1 . 2]" 1
105 1 56 GLU QG 1 57 PHE H . . 3.700 3.276 3.005 3.499 . 0 0 "[ . 1 . 2]" 1
106 1 33 LYS H 1 34 ASP H . . 2.960 2.806 2.600 2.952 . 0 0 "[ . 1 . 2]" 1
107 1 32 LEU H 1 33 LYS H . . 3.530 2.929 2.755 3.098 . 0 0 "[ . 1 . 2]" 1
108 1 32 LEU HB3 1 33 LYS H . . 3.390 2.485 2.192 2.913 . 0 0 "[ . 1 . 2]" 1
109 1 16 ASN H 1 16 ASN HD21 . . 4.540 3.047 1.939 4.029 . 0 0 "[ . 1 . 2]" 1
110 1 14 SER HB3 1 16 ASN H . . 4.100 2.969 2.206 4.044 . 0 0 "[ . 1 . 2]" 1
111 1 16 ASN H 1 16 ASN HB2 . . 3.980 3.457 2.748 3.924 . 0 0 "[ . 1 . 2]" 1
112 1 16 ASN H 1 16 ASN HB3 . . 3.980 3.759 3.246 3.989 0.009 10 0 "[ . 1 . 2]" 1
113 1 16 ASN H 1 56 GLU QG . . 4.380 3.970 3.450 4.375 . 0 0 "[ . 1 . 2]" 1
114 1 15 GLU HB2 1 16 ASN H . . 4.880 3.807 2.763 4.390 . 0 0 "[ . 1 . 2]" 1
115 1 29 TRP H 1 29 TRP HD1 . . 3.900 3.228 2.973 3.358 . 0 0 "[ . 1 . 2]" 1
116 1 29 TRP H 1 29 TRP HB2 . . 3.590 3.505 3.478 3.558 . 0 0 "[ . 1 . 2]" 1
117 1 29 TRP H 1 29 TRP HB3 . . 3.310 2.205 2.166 2.306 . 0 0 "[ . 1 . 2]" 1
118 1 29 TRP H 1 30 GLN H . . 3.920 2.863 2.612 2.979 . 0 0 "[ . 1 . 2]" 1
119 1 28 SER HA 1 29 TRP H . . 3.340 2.364 2.242 2.542 . 0 0 "[ . 1 . 2]" 1
120 1 28 SER HB2 1 29 TRP H . . 4.030 3.752 2.722 4.030 . 0 0 "[ . 1 . 2]" 1
121 1 28 SER HB3 1 29 TRP H . . 4.030 3.320 2.600 4.030 . 0 0 "[ . 1 . 2]" 1
122 1 16 ASN HB2 1 57 PHE H . . 4.690 3.320 2.693 3.944 . 0 0 "[ . 1 . 2]" 1
123 1 29 TRP HB2 1 33 LYS H . . 4.980 4.571 4.241 4.903 . 0 0 "[ . 1 . 2]" 1
124 1 30 GLN HA 1 33 LYS H . . 5.210 4.259 3.865 4.458 . 0 0 "[ . 1 . 2]" 1
125 1 33 LYS H 1 33 LYS HB2 . . 3.370 2.690 2.554 2.851 . 0 0 "[ . 1 . 2]" 1
126 1 32 LEU HB2 1 33 LYS H . . 4.200 3.870 3.684 4.147 . 0 0 "[ . 1 . 2]" 1
127 1 33 LYS H 1 45 ALA MB . . 4.390 3.462 3.169 3.873 . 0 0 "[ . 1 . 2]" 1
128 1 32 LEU MD1 1 33 LYS H . . 4.470 4.084 3.863 4.386 . 0 0 "[ . 1 . 2]" 1
129 1 33 LYS H 1 55 VAL MG2 . . 4.900 4.310 3.994 4.630 . 0 0 "[ . 1 . 2]" 1
130 1 32 LEU MD2 1 33 LYS H . . 4.160 3.786 3.346 4.155 . 0 0 "[ . 1 . 2]" 1
131 1 18 VAL H 1 55 VAL H . . 3.900 3.138 2.890 3.300 . 0 0 "[ . 1 . 2]" 1
132 1 54 VAL HA 1 55 VAL H . . 2.920 2.198 2.146 2.288 . 0 0 "[ . 1 . 2]" 1
133 1 19 VAL HA 1 55 VAL H . . 3.980 3.866 3.695 3.990 0.010 16 0 "[ . 1 . 2]" 1
134 1 54 VAL HB 1 55 VAL H . . 3.490 3.025 2.684 3.318 . 0 0 "[ . 1 . 2]" 1
135 1 55 VAL H 1 55 VAL HB . . 3.370 2.777 2.662 2.906 . 0 0 "[ . 1 . 2]" 1
136 1 18 VAL MG2 1 55 VAL H . . 3.180 2.706 2.570 3.070 . 0 0 "[ . 1 . 2]" 1
137 1 55 VAL H 1 55 VAL MG2 . . 3.520 2.822 2.669 2.962 . 0 0 "[ . 1 . 2]" 1
138 1 73 THR HB 1 74 LYS H . . 3.240 2.491 2.347 2.643 . 0 0 "[ . 1 . 2]" 1
139 1 74 LYS H 1 74 LYS HB2 . . 3.380 2.585 2.366 2.769 . 0 0 "[ . 1 . 2]" 1
140 1 73 THR MG 1 74 LYS H . . 3.950 3.861 3.712 3.943 . 0 0 "[ . 1 . 2]" 1
141 1 74 LYS H 1 74 LYS HB3 . . 3.380 2.522 2.335 2.756 . 0 0 "[ . 1 . 2]" 1
142 1 62 ASP H 1 63 MET H . . 2.780 2.581 2.385 2.713 . 0 0 "[ . 1 . 2]" 1
143 1 60 LYS HA 1 63 MET H . . 4.070 3.154 2.987 3.276 . 0 0 "[ . 1 . 2]" 1
144 1 63 MET H 1 63 MET HB3 . . 3.460 2.558 2.464 2.656 . 0 0 "[ . 1 . 2]" 1
145 1 63 MET H 1 63 MET HB2 . . 3.590 2.514 2.409 2.610 . 0 0 "[ . 1 . 2]" 1
146 1 18 VAL MG1 1 19 VAL H . . 3.510 3.468 3.382 3.514 0.004 16 0 "[ . 1 . 2]" 1
147 1 19 VAL H 1 90 ASP H . . 4.380 3.591 2.973 3.828 . 0 0 "[ . 1 . 2]" 1
148 1 18 VAL HA 1 19 VAL H . . 3.070 2.306 2.203 2.426 . 0 0 "[ . 1 . 2]" 1
149 1 18 VAL HB 1 19 VAL H . . 3.450 2.659 2.321 3.022 . 0 0 "[ . 1 . 2]" 1
150 1 19 VAL H 1 87 VAL MG1 . . 3.910 3.780 3.550 3.910 . 0 0 "[ . 1 . 2]" 1
151 1 77 SER HA 1 78 HIS H . . 3.520 2.513 2.361 2.727 . 0 0 "[ . 1 . 2]" 1
152 1 78 HIS H 1 78 HIS HB2 . . 3.980 3.588 3.575 3.601 . 0 0 "[ . 1 . 2]" 1
153 1 78 HIS H 1 78 HIS HB3 . . 3.980 2.633 2.489 2.741 . 0 0 "[ . 1 . 2]" 1
154 1 34 ASP H 1 35 HIS H . . 3.720 2.703 2.513 2.891 . 0 0 "[ . 1 . 2]" 1
155 1 32 LEU HA 1 35 HIS H . . 3.640 3.512 3.252 3.640 0.000 6 0 "[ . 1 . 2]" 1
156 1 34 ASP HB2 1 35 HIS H . . 3.810 3.686 3.400 3.814 0.004 19 0 "[ . 1 . 2]" 1
157 1 34 ASP HB3 1 35 HIS H . . 3.810 2.879 2.420 3.525 . 0 0 "[ . 1 . 2]" 1
158 1 34 ASP HA 1 37 ARG H . . 4.200 3.569 3.248 3.986 . 0 0 "[ . 1 . 2]" 1
159 1 22 GLY H 1 23 LEU H . . 3.360 2.475 2.293 2.611 . 0 0 "[ . 1 . 2]" 1
160 1 23 LEU H 1 51 GLY HA2 . . 3.900 3.310 2.790 3.849 . 0 0 "[ . 1 . 2]" 1
161 1 23 LEU H 1 51 GLY HA3 . . 3.900 3.299 2.812 3.894 . 0 0 "[ . 1 . 2]" 1
162 1 23 LEU H 1 23 LEU HB2 . . 3.480 2.216 2.151 2.311 . 0 0 "[ . 1 . 2]" 1
163 1 23 LEU H 1 23 LEU HG . . 3.230 3.103 2.674 3.231 0.001 1 0 "[ . 1 . 2]" 1
164 1 23 LEU H 1 23 LEU MD1 . . 3.960 3.320 3.103 3.594 . 0 0 "[ . 1 . 2]" 1
165 1 23 LEU H 1 85 ILE MG . . 4.290 3.393 2.888 3.730 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU H 1 23 LEU MD2 . . 4.300 4.211 3.989 4.294 . 0 0 "[ . 1 . 2]" 1
167 1 21 SER HA 1 23 LEU H . . 4.220 3.344 3.067 3.633 . 0 0 "[ . 1 . 2]" 1
168 1 37 ARG H 1 37 ARG HB2 . . 3.140 2.348 2.144 2.601 . 0 0 "[ . 1 . 2]" 1
169 1 37 ARG H 1 42 VAL MG2 . . 4.120 3.606 3.409 3.815 . 0 0 "[ . 1 . 2]" 1
170 1 37 ARG H 1 37 ARG HG3 . . 3.870 2.743 2.343 3.140 . 0 0 "[ . 1 . 2]" 1
171 1 12 ARG HB3 1 13 ARG H . . 4.400 2.652 1.898 3.521 . 0 0 "[ . 1 . 2]" 1
172 1 81 GLU H 1 81 GLU HG3 . . 4.820 3.974 3.466 4.480 . 0 0 "[ . 1 . 2]" 1
173 1 81 GLU H 1 81 GLU HB2 . . 3.830 2.155 2.064 2.347 . 0 0 "[ . 1 . 2]" 1
174 1 81 GLU H 1 81 GLU HB3 . . 3.830 3.104 2.715 3.409 . 0 0 "[ . 1 . 2]" 1
175 1 12 ARG HA 1 13 ARG H . . 3.110 2.493 2.141 2.965 . 0 0 "[ . 1 . 2]" 1
176 1 12 ARG HB2 1 13 ARG H . . 4.400 3.746 1.909 4.360 . 0 0 "[ . 1 . 2]" 1
177 1 12 ARG QG 1 13 ARG H . . 4.180 2.977 1.926 4.178 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL H 1 56 GLU QG . . 4.630 4.169 3.928 4.396 . 0 0 "[ . 1 . 2]" 1
179 1 18 VAL H 1 56 GLU HA . . 3.950 3.302 3.136 3.489 . 0 0 "[ . 1 . 2]" 1
180 1 17 ARG HA 1 18 VAL H . . 3.190 2.179 2.142 2.244 . 0 0 "[ . 1 . 2]" 1
181 1 18 VAL H 1 18 VAL HB . . 4.000 3.695 3.618 3.789 . 0 0 "[ . 1 . 2]" 1
182 1 17 ARG HG3 1 18 VAL H . . 3.810 3.241 2.594 3.679 . 0 0 "[ . 1 . 2]" 1
183 1 18 VAL H 1 18 VAL MG1 . . 3.400 3.183 3.101 3.292 . 0 0 "[ . 1 . 2]" 1
184 1 39 ALA H 1 70 LEU MD1 . . 3.920 2.275 2.053 2.548 . 0 0 "[ . 1 . 2]" 1
185 1 38 GLU H 1 39 ALA H . . 3.450 2.893 2.784 2.956 . 0 0 "[ . 1 . 2]" 1
186 1 39 ALA H 1 57 PHE QE . . 4.400 3.943 3.536 4.295 . 0 0 "[ . 1 . 2]" 1
187 1 39 ALA H 1 65 TYR QD . . 4.880 4.360 4.200 4.538 . 0 0 "[ . 1 . 2]" 1
188 1 38 GLU HB3 1 39 ALA H . . 4.030 3.210 2.788 3.556 . 0 0 "[ . 1 . 2]" 1
189 1 39 ALA H 1 39 ALA MB . . 3.090 2.087 2.023 2.200 . 0 0 "[ . 1 . 2]" 1
190 1 38 GLU H 1 39 ALA MB . . 4.530 4.481 4.390 4.531 0.001 14 0 "[ . 1 . 2]" 1
191 1 38 GLU H 1 38 GLU HG2 . . 4.340 3.958 3.208 4.327 . 0 0 "[ . 1 . 2]" 1
192 1 37 ARG HA 1 39 ALA H . . 4.050 3.795 3.441 4.056 0.006 19 0 "[ . 1 . 2]" 1
193 1 38 GLU HB2 1 39 ALA H . . 4.030 3.356 2.888 4.054 0.024 15 0 "[ . 1 . 2]" 1
194 1 37 ARG HB2 1 38 GLU H . . 3.300 2.812 2.675 3.004 . 0 0 "[ . 1 . 2]" 1
195 1 38 GLU H 1 38 GLU HB2 . . 3.980 2.333 2.080 3.407 . 0 0 "[ . 1 . 2]" 1
196 1 37 ARG HB3 1 38 GLU H . . 3.850 3.547 3.188 3.799 . 0 0 "[ . 1 . 2]" 1
197 1 38 GLU H 1 38 GLU HB3 . . 3.980 3.195 2.102 3.505 . 0 0 "[ . 1 . 2]" 1
198 1 38 GLU H 1 70 LEU MD1 . . 4.560 3.321 3.079 3.617 . 0 0 "[ . 1 . 2]" 1
199 1 20 VAL HA 1 21 SER H . . 3.080 2.214 2.159 2.308 . 0 0 "[ . 1 . 2]" 1
200 1 21 SER H 1 85 ILE HB . . 4.030 3.480 3.165 3.868 . 0 0 "[ . 1 . 2]" 1
201 1 21 SER H 1 86 ARG HB3 . . 4.570 3.782 3.250 4.387 . 0 0 "[ . 1 . 2]" 1
202 1 19 VAL MG1 1 21 SER H . . 5.050 4.495 4.205 4.950 . 0 0 "[ . 1 . 2]" 1
203 1 21 SER H 1 23 LEU HG . . 5.470 4.672 4.346 4.888 . 0 0 "[ . 1 . 2]" 1
204 1 20 VAL MG1 1 21 SER H . . 3.320 2.264 1.949 2.564 . 0 0 "[ . 1 . 2]" 1
205 1 59 ARG H 1 59 ARG HG3 . . 4.420 3.247 2.813 4.094 . 0 0 "[ . 1 . 2]" 1
206 1 58 VAL MG2 1 59 ARG H . . 3.920 3.317 3.164 3.410 . 0 0 "[ . 1 . 2]" 1
207 1 58 VAL MG1 1 59 ARG H . . 3.930 1.978 1.881 2.107 . 0 0 "[ . 1 . 2]" 1
208 1 58 VAL H 1 59 ARG H . . 3.990 2.844 2.717 2.952 . 0 0 "[ . 1 . 2]" 1
209 1 57 PHE HB2 1 59 ARG H . . 4.350 3.875 3.513 4.188 . 0 0 "[ . 1 . 2]" 1
210 1 13 ARG HA 1 14 SER H . . 3.120 2.915 2.139 3.317 0.197 17 0 "[ . 1 . 2]" 1
211 1 13 ARG QD 1 14 SER H . . 4.110 4.205 4.131 4.265 0.155 20 0 "[ . 1 . 2]" 1
212 1 13 ARG HB2 1 14 SER H . . 3.890 3.893 3.507 4.025 0.135 1 0 "[ . 1 . 2]" 1
213 1 13 ARG HB3 1 14 SER H . . 3.890 3.787 3.563 4.039 0.149 18 0 "[ . 1 . 2]" 1
214 1 21 SER H 1 86 ARG H . . 3.700 2.589 2.434 2.817 . 0 0 "[ . 1 . 2]" 1
215 1 85 ILE HA 1 86 ARG H . . 3.120 2.268 2.223 2.305 . 0 0 "[ . 1 . 2]" 1
216 1 85 ILE HB 1 86 ARG H . . 3.380 2.736 2.627 2.886 . 0 0 "[ . 1 . 2]" 1
217 1 85 ILE HG13 1 86 ARG H . . 4.810 4.201 4.114 4.338 . 0 0 "[ . 1 . 2]" 1
218 1 20 VAL MG1 1 86 ARG H . . 3.910 3.320 2.899 3.551 . 0 0 "[ . 1 . 2]" 1
219 1 85 ILE MG 1 86 ARG H . . 3.750 3.704 3.616 3.751 0.001 19 0 "[ . 1 . 2]" 1
220 1 46 ASP HA 1 47 VAL H . . 3.040 2.197 2.162 2.241 . 0 0 "[ . 1 . 2]" 1
221 1 29 TRP HB2 1 47 VAL H . . 3.830 3.693 3.506 3.829 . 0 0 "[ . 1 . 2]" 1
222 1 29 TRP HB3 1 47 VAL H . . 3.830 2.741 2.327 2.935 . 0 0 "[ . 1 . 2]" 1
223 1 46 ASP QB 1 47 VAL H . . 3.740 3.420 3.105 3.651 . 0 0 "[ . 1 . 2]" 1
224 1 47 VAL H 1 47 VAL HB . . 3.880 3.784 3.659 3.873 . 0 0 "[ . 1 . 2]" 1
225 1 47 VAL H 1 47 VAL MG2 . . 3.390 2.058 1.860 2.345 . 0 0 "[ . 1 . 2]" 1
226 1 78 HIS H 1 79 GLU H . . 4.340 2.662 2.443 2.828 . 0 0 "[ . 1 . 2]" 1
227 1 79 GLU H 1 79 GLU HB2 . . 3.950 2.444 2.163 3.590 . 0 0 "[ . 1 . 2]" 1
228 1 79 GLU H 1 79 GLU HG2 . . 4.080 2.537 1.968 3.388 . 0 0 "[ . 1 . 2]" 1
229 1 79 GLU H 1 79 GLU HG3 . . 4.080 3.663 2.405 4.074 . 0 0 "[ . 1 . 2]" 1
230 1 79 GLU H 1 79 GLU HB3 . . 3.950 3.524 2.664 3.653 . 0 0 "[ . 1 . 2]" 1
231 1 66 ALA H 1 68 ARG H . . 4.760 3.903 3.807 3.963 . 0 0 "[ . 1 . 2]" 1
232 1 66 ALA HA 1 68 ARG H . . 4.650 3.867 3.778 3.965 . 0 0 "[ . 1 . 2]" 1
233 1 66 ALA MB 1 68 ARG H . . 4.400 4.236 4.194 4.297 . 0 0 "[ . 1 . 2]" 1
234 1 65 TYR HA 1 68 ARG H . . 3.780 3.411 3.322 3.466 . 0 0 "[ . 1 . 2]" 1
235 1 68 ARG H 1 68 ARG QD . . 4.430 3.995 3.767 4.112 . 0 0 "[ . 1 . 2]" 1
236 1 67 VAL HB 1 68 ARG H . . 4.070 4.036 3.978 4.068 . 0 0 "[ . 1 . 2]" 1
237 1 68 ARG H 1 68 ARG QB . . 3.020 2.324 2.287 2.372 . 0 0 "[ . 1 . 2]" 1
238 1 68 ARG H 1 68 ARG HG3 . . 3.490 2.791 2.653 2.873 . 0 0 "[ . 1 . 2]" 1
239 1 67 VAL MG2 1 68 ARG H . . 3.520 2.422 2.229 2.612 . 0 0 "[ . 1 . 2]" 1
240 1 46 ASP H 1 54 VAL H . . 3.610 3.376 3.105 3.599 . 0 0 "[ . 1 . 2]" 1
241 1 53 GLY HA3 1 54 VAL H . . 3.300 2.817 2.482 3.047 . 0 0 "[ . 1 . 2]" 1
242 1 53 GLY HA2 1 54 VAL H . . 3.450 2.351 2.192 2.645 . 0 0 "[ . 1 . 2]" 1
243 1 54 VAL H 1 54 VAL HB . . 4.100 3.803 3.725 3.960 . 0 0 "[ . 1 . 2]" 1
244 1 41 ASP H 1 41 ASP QB . . 3.450 2.569 2.324 3.020 . 0 0 "[ . 1 . 2]" 1
245 1 54 VAL H 1 54 VAL MG2 . . 3.460 2.137 1.934 2.381 . 0 0 "[ . 1 . 2]" 1
246 1 47 VAL MG1 1 54 VAL H . . 4.400 3.853 3.510 4.417 0.017 6 0 "[ . 1 . 2]" 1
247 1 54 VAL H 1 55 VAL MG2 . . 4.690 3.765 3.363 3.998 . 0 0 "[ . 1 . 2]" 1
248 1 32 LEU MD2 1 54 VAL H . . 3.910 3.532 2.837 3.870 . 0 0 "[ . 1 . 2]" 1
249 1 85 ILE H 1 85 ILE MD . . 3.840 3.816 3.746 3.843 0.003 16 0 "[ . 1 . 2]" 1
250 1 84 TYR HA 1 85 ILE H . . 3.080 2.145 2.138 2.187 . 0 0 "[ . 1 . 2]" 1
251 1 75 PHE HB3 1 85 ILE H . . 4.600 3.745 3.520 3.949 . 0 0 "[ . 1 . 2]" 1
252 1 85 ILE H 1 85 ILE HG13 . . 3.900 2.221 2.097 2.316 . 0 0 "[ . 1 . 2]" 1
253 1 85 ILE H 1 85 ILE HG12 . . 3.510 2.691 2.532 2.869 . 0 0 "[ . 1 . 2]" 1
254 1 69 LYS H 1 70 LEU H . . 3.350 2.352 2.282 2.505 . 0 0 "[ . 1 . 2]" 1
255 1 65 TYR HA 1 69 LYS H . . 4.320 3.878 3.776 3.953 . 0 0 "[ . 1 . 2]" 1
256 1 69 LYS H 1 70 LEU HG . . 4.380 4.200 4.088 4.367 . 0 0 "[ . 1 . 2]" 1
257 1 69 LYS H 1 69 LYS HB3 . . 3.620 3.610 3.590 3.620 0.000 10 0 "[ . 1 . 2]" 1
258 1 69 LYS H 1 69 LYS HB2 . . 3.290 2.377 2.358 2.397 . 0 0 "[ . 1 . 2]" 1
259 1 69 LYS H 1 69 LYS HG2 . . 3.450 3.040 2.883 3.191 . 0 0 "[ . 1 . 2]" 1
260 1 69 LYS H 1 69 LYS HG3 . . 3.580 3.314 3.192 3.403 . 0 0 "[ . 1 . 2]" 1
261 1 68 ARG H 1 69 LYS H . . 3.400 2.436 2.371 2.523 . 0 0 "[ . 1 . 2]" 1
262 1 68 ARG QB 1 69 LYS H . . 3.350 2.350 2.179 2.458 . 0 0 "[ . 1 . 2]" 1
263 1 64 THR HA 1 67 VAL H . . 4.210 3.756 3.628 3.896 . 0 0 "[ . 1 . 2]" 1
264 1 66 ALA MB 1 67 VAL H . . 3.460 2.581 2.463 2.713 . 0 0 "[ . 1 . 2]" 1
265 1 67 VAL H 1 67 VAL MG2 . . 3.070 2.043 1.877 2.219 . 0 0 "[ . 1 . 2]" 1
266 1 67 VAL H 1 87 VAL MG1 . . 4.220 3.865 3.630 4.058 . 0 0 "[ . 1 . 2]" 1
267 1 15 GLU H 1 15 GLU HB3 . . 4.090 3.667 2.394 4.039 . 0 0 "[ . 1 . 2]" 1
268 1 14 SER HB2 1 15 GLU H . . 3.890 2.934 2.021 3.888 . 0 0 "[ . 1 . 2]" 1
269 1 70 LEU H 1 71 ASP H . . 3.570 3.459 3.268 3.572 0.002 10 0 "[ . 1 . 2]" 1
270 1 70 LEU H 1 70 LEU MD2 . . 3.760 3.332 3.223 3.476 . 0 0 "[ . 1 . 2]" 1
271 1 81 GLU HA 1 82 THR H . . 2.760 2.240 2.177 2.332 . 0 0 "[ . 1 . 2]" 1
272 1 82 THR H 1 82 THR HB . . 3.900 3.681 3.561 3.778 . 0 0 "[ . 1 . 2]" 1
273 1 81 GLU HG2 1 82 THR H . . 3.820 3.278 2.390 3.796 . 0 0 "[ . 1 . 2]" 1
274 1 81 GLU HG3 1 82 THR H . . 3.820 3.056 1.931 3.734 . 0 0 "[ . 1 . 2]" 1
275 1 64 THR H 1 65 TYR H . . 3.590 2.658 2.453 2.776 . 0 0 "[ . 1 . 2]" 1
276 1 63 MET H 1 64 THR H . . 3.500 2.736 2.458 2.972 . 0 0 "[ . 1 . 2]" 1
277 1 64 THR H 1 64 THR HB . . 3.230 2.610 2.428 2.731 . 0 0 "[ . 1 . 2]" 1
278 1 63 MET HB3 1 64 THR H . . 3.640 2.277 2.059 2.587 . 0 0 "[ . 1 . 2]" 1
279 1 63 MET HG2 1 64 THR H . . 4.170 3.713 3.309 4.074 . 0 0 "[ . 1 . 2]" 1
280 1 63 MET ME 1 64 THR H . . 3.730 2.639 2.257 2.966 . 0 0 "[ . 1 . 2]" 1
281 1 63 MET HB2 1 64 THR H . . 3.820 3.670 3.531 3.821 0.001 15 0 "[ . 1 . 2]" 1
282 1 64 THR H 1 64 THR MG . . 4.030 3.764 3.748 3.780 . 0 0 "[ . 1 . 2]" 1
283 1 35 HIS HB2 1 36 MET H . . 4.200 3.991 3.733 4.189 . 0 0 "[ . 1 . 2]" 1
284 1 35 HIS H 1 36 MET H . . 3.730 2.393 2.218 2.603 . 0 0 "[ . 1 . 2]" 1
285 1 36 MET H 1 37 ARG H . . 3.870 2.371 2.188 2.652 . 0 0 "[ . 1 . 2]" 1
286 1 35 HIS HB3 1 36 MET H . . 4.200 2.941 2.578 3.229 . 0 0 "[ . 1 . 2]" 1
287 1 36 MET H 1 36 MET HG2 . . 3.910 2.382 1.898 3.032 . 0 0 "[ . 1 . 2]" 1
288 1 36 MET H 1 36 MET HB3 . . 4.040 3.615 3.568 3.680 . 0 0 "[ . 1 . 2]" 1
289 1 89 VAL MG1 1 91 GLY H . . 5.500 4.763 3.935 5.391 . 0 0 "[ . 1 . 2]" 1
290 1 89 VAL MG2 1 91 GLY H . . 5.500 4.720 3.595 5.130 . 0 0 "[ . 1 . 2]" 1
291 1 90 ASP HB3 1 91 GLY H . . 4.510 4.073 1.897 4.488 . 0 0 "[ . 1 . 2]" 1
292 1 90 ASP HB2 1 91 GLY H . . 4.560 4.211 3.348 4.512 . 0 0 "[ . 1 . 2]" 1
293 1 19 VAL MG2 1 91 GLY H . . 4.190 3.985 3.785 4.224 0.034 5 0 "[ . 1 . 2]" 1
294 1 91 GLY H 1 92 PRO QD . . 4.390 4.305 3.867 4.380 . 0 0 "[ . 1 . 2]" 1
295 1 36 MET H 1 36 MET HB2 . . 4.040 2.557 2.302 2.726 . 0 0 "[ . 1 . 2]" 1
296 1 51 GLY H 1 52 THR H . . 3.490 2.496 1.963 2.726 . 0 0 "[ . 1 . 2]" 1
297 1 50 ASP H 1 52 THR H . . 3.680 2.859 2.675 3.544 . 0 0 "[ . 1 . 2]" 1
298 1 52 THR H 1 52 THR HB . . 3.930 3.787 3.710 3.842 . 0 0 "[ . 1 . 2]" 1
299 1 22 GLY H 1 52 THR HA . . 4.150 3.855 3.593 4.141 . 0 0 "[ . 1 . 2]" 1
300 1 21 SER HB2 1 22 GLY H . . 3.920 2.518 2.336 2.782 . 0 0 "[ . 1 . 2]" 1
301 1 24 PRO HG2 1 27 GLY H . . 4.090 2.418 1.981 2.964 . 0 0 "[ . 1 . 2]" 1
302 1 80 GLY H 1 81 GLU H . . 3.130 2.532 2.279 2.801 . 0 0 "[ . 1 . 2]" 1
303 1 79 GLU H 1 80 GLY H . . 3.100 2.522 2.275 2.662 . 0 0 "[ . 1 . 2]" 1
304 1 79 GLU HA 1 80 GLY H . . 3.570 3.382 3.250 3.485 . 0 0 "[ . 1 . 2]" 1
305 1 26 SER H 1 27 GLY H . . 3.760 2.223 1.975 2.602 . 0 0 "[ . 1 . 2]" 1
306 1 25 PRO HD2 1 26 SER H . . 3.590 2.788 2.646 2.998 . 0 0 "[ . 1 . 2]" 1
307 1 24 PRO HB2 1 26 SER H . . 3.500 2.339 2.193 2.865 . 0 0 "[ . 1 . 2]" 1
308 1 52 THR HA 1 53 GLY H . . 3.400 2.390 2.224 2.514 . 0 0 "[ . 1 . 2]" 1
309 1 19 VAL MG1 1 53 GLY H . . 3.850 3.676 3.463 3.851 0.001 19 0 "[ . 1 . 2]" 1
310 1 20 VAL MG2 1 53 GLY H . . 4.520 3.851 3.512 4.026 . 0 0 "[ . 1 . 2]" 1
311 1 72 ASN H 1 73 THR H . . 3.600 2.463 2.377 2.660 . 0 0 "[ . 1 . 2]" 1
312 1 73 THR H 1 85 ILE H . . 4.170 3.374 3.137 3.515 . 0 0 "[ . 1 . 2]" 1
313 1 73 THR H 1 73 THR HG1 . . 3.680 2.643 2.077 3.556 . 0 0 "[ . 1 . 2]" 1
314 1 73 THR H 1 73 THR MG . . 3.610 2.395 2.256 2.647 . 0 0 "[ . 1 . 2]" 1
315 1 73 THR H 1 85 ILE MD . . 4.430 3.999 3.733 4.185 . 0 0 "[ . 1 . 2]" 1
316 1 71 ASP HA 1 73 THR H . . 4.270 3.973 3.775 4.114 . 0 0 "[ . 1 . 2]" 1
317 1 73 THR H 1 85 ILE HG13 . . 3.960 3.000 2.920 3.078 . 0 0 "[ . 1 . 2]" 1
318 1 39 ALA H 1 40 GLY H . . 3.070 2.611 2.381 2.749 . 0 0 "[ . 1 . 2]" 1
319 1 38 GLU H 1 40 GLY H . . 4.540 4.388 4.292 4.470 . 0 0 "[ . 1 . 2]" 1
320 1 37 ARG HA 1 40 GLY H . . 3.560 3.090 2.860 3.297 . 0 0 "[ . 1 . 2]" 1
321 1 75 PHE H 1 85 ILE H . . 4.770 3.357 3.092 3.712 . 0 0 "[ . 1 . 2]" 1
322 1 12 ARG H 1 12 ARG QG . . 5.040 3.548 2.267 4.232 . 0 0 "[ . 1 . 2]" 1
323 1 11 SER QB 1 12 ARG H . . 4.920 3.104 2.002 4.005 . 0 0 "[ . 1 . 2]" 1
324 1 12 ARG QD 1 13 ARG H . . 5.070 4.110 2.472 5.055 . 0 0 "[ . 1 . 2]" 1
325 1 13 ARG H 1 13 ARG QD . . 4.500 2.841 1.885 4.254 . 0 0 "[ . 1 . 2]" 1
326 1 13 ARG H 1 14 SER H . . 5.010 3.069 2.183 4.448 . 0 0 "[ . 1 . 2]" 1
327 1 12 ARG HA 1 14 SER H . . 5.500 4.102 2.898 5.573 0.073 3 0 "[ . 1 . 2]" 1
328 1 14 SER H 1 15 GLU HA . . 5.500 5.098 4.022 5.504 0.004 10 0 "[ . 1 . 2]" 1
329 1 14 SER H 1 15 GLU H . . 4.590 4.020 2.555 4.625 0.035 15 0 "[ . 1 . 2]" 1
330 1 16 ASN H 1 16 ASN HD22 . . 4.540 3.612 2.824 4.264 . 0 0 "[ . 1 . 2]" 1
331 1 17 ARG H 1 90 ASP HB2 . . 5.500 4.771 4.456 4.985 . 0 0 "[ . 1 . 2]" 1
332 1 17 ARG HG2 1 18 VAL H . . 4.100 2.753 2.229 3.258 . 0 0 "[ . 1 . 2]" 1
333 1 18 VAL H 1 57 PHE QD . . 5.260 4.679 4.329 5.032 . 0 0 "[ . 1 . 2]" 1
334 1 18 VAL H 1 57 PHE QE . . 5.500 4.867 4.432 5.466 . 0 0 "[ . 1 . 2]" 1
335 1 18 VAL H 1 57 PHE H . . 4.690 4.467 4.193 4.701 0.011 16 0 "[ . 1 . 2]" 1
336 1 19 VAL H 1 90 ASP HB2 . . 4.150 3.972 3.530 4.120 . 0 0 "[ . 1 . 2]" 1
337 1 19 VAL H 1 90 ASP HB3 . . 5.500 5.378 4.723 5.501 0.001 16 0 "[ . 1 . 2]" 1
338 1 19 VAL H 1 90 ASP HA . . 4.220 4.048 3.486 4.214 . 0 0 "[ . 1 . 2]" 1
339 1 19 VAL H 1 20 VAL H . . 4.690 4.530 4.496 4.565 . 0 0 "[ . 1 . 2]" 1
340 1 20 VAL H 1 52 THR HB . . 5.330 4.428 4.039 4.684 . 0 0 "[ . 1 . 2]" 1
341 1 20 VAL H 1 53 GLY HA3 . . 5.500 4.429 4.091 4.653 . 0 0 "[ . 1 . 2]" 1
342 1 20 VAL H 1 55 VAL H . . 4.940 4.833 4.458 4.950 0.010 16 0 "[ . 1 . 2]" 1
343 1 21 SER H 1 85 ILE HA . . 4.570 4.206 4.011 4.510 . 0 0 "[ . 1 . 2]" 1
344 1 21 SER H 1 23 LEU MD1 . . 4.980 4.283 4.046 4.541 . 0 0 "[ . 1 . 2]" 1
345 1 21 SER H 1 85 ILE MG . . 5.310 4.296 4.057 4.594 . 0 0 "[ . 1 . 2]" 1
346 1 21 SER H 1 22 GLY H . . 4.990 4.421 4.374 4.460 . 0 0 "[ . 1 . 2]" 1
347 1 23 LEU H 1 52 THR HA . . 4.680 3.607 3.311 3.883 . 0 0 "[ . 1 . 2]" 1
348 1 23 LEU MD2 1 27 GLY H . . 5.110 4.686 4.068 5.100 . 0 0 "[ . 1 . 2]" 1
349 1 22 GLY H 1 85 ILE MG . . 5.500 4.609 4.408 4.714 . 0 0 "[ . 1 . 2]" 1
350 1 27 GLY H 1 75 PHE QE . . 4.840 4.440 4.047 4.807 . 0 0 "[ . 1 . 2]" 1
351 1 28 SER H 1 75 PHE QE . . 5.470 4.335 3.987 4.672 . 0 0 "[ . 1 . 2]" 1
352 1 28 SER H 1 75 PHE HZ . . 4.340 3.517 3.052 4.127 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLY H 1 28 SER H . . 4.830 4.524 4.341 4.638 . 0 0 "[ . 1 . 2]" 1
354 1 28 SER H 1 32 LEU H . . 5.320 4.001 3.659 4.267 . 0 0 "[ . 1 . 2]" 1
355 1 29 TRP H 1 47 VAL HB . . 4.780 4.521 4.328 4.776 . 0 0 "[ . 1 . 2]" 1
356 1 29 TRP H 1 31 ASP H . . 4.420 4.217 4.059 4.404 . 0 0 "[ . 1 . 2]" 1
357 1 30 GLN H 1 30 GLN HG2 . . 4.540 4.251 4.026 4.495 . 0 0 "[ . 1 . 2]" 1
358 1 28 SER HA 1 30 GLN H . . 5.030 4.450 4.204 4.625 . 0 0 "[ . 1 . 2]" 1
359 1 32 LEU H 1 75 PHE QE . . 4.730 3.477 2.813 3.830 . 0 0 "[ . 1 . 2]" 1
360 1 32 LEU H 1 75 PHE HZ . . 5.180 3.401 3.007 3.832 . 0 0 "[ . 1 . 2]" 1
361 1 30 GLN H 1 32 LEU H . . 5.150 4.371 4.110 4.740 . 0 0 "[ . 1 . 2]" 1
362 1 29 TRP HA 1 33 LYS H . . 5.100 3.553 3.241 3.828 . 0 0 "[ . 1 . 2]" 1
363 1 29 TRP HE3 1 33 LYS H . . 4.930 3.217 2.933 3.760 . 0 0 "[ . 1 . 2]" 1
364 1 33 LYS HB2 1 34 ASP H . . 4.400 4.004 3.828 4.141 . 0 0 "[ . 1 . 2]" 1
365 1 31 ASP HA 1 34 ASP H . . 4.200 3.529 3.276 3.724 . 0 0 "[ . 1 . 2]" 1
366 1 33 LYS QG 1 37 ARG H . . 4.730 4.042 3.664 4.382 . 0 0 "[ . 1 . 2]" 1
367 1 37 ARG H 1 39 ALA MB . . 5.500 5.127 5.010 5.235 . 0 0 "[ . 1 . 2]" 1
368 1 37 ARG HG3 1 38 GLU H . . 5.050 4.681 4.303 4.948 . 0 0 "[ . 1 . 2]" 1
369 1 37 ARG QD 1 38 GLU H . . 5.500 5.239 4.971 5.448 . 0 0 "[ . 1 . 2]" 1
370 1 37 ARG H 1 38 GLU H . . 3.260 2.745 2.617 2.887 . 0 0 "[ . 1 . 2]" 1
371 1 39 ALA H 1 70 LEU MD2 . . 4.930 4.162 3.982 4.351 . 0 0 "[ . 1 . 2]" 1
372 1 39 ALA H 1 66 ALA HA . . 5.500 4.992 4.732 5.206 . 0 0 "[ . 1 . 2]" 1
373 1 40 GLY H 1 70 LEU MD1 . . 5.220 4.379 4.167 4.651 . 0 0 "[ . 1 . 2]" 1
374 1 40 GLY H 1 41 ASP H . . 4.900 3.678 3.009 3.961 . 0 0 "[ . 1 . 2]" 1
375 1 41 ASP H 1 42 VAL H . . 4.710 4.403 4.273 4.502 . 0 0 "[ . 1 . 2]" 1
376 1 33 LYS QE 1 42 VAL H . . 5.080 4.101 3.283 4.495 . 0 0 "[ . 1 . 2]" 1
377 1 43 CYS H 1 58 VAL MG1 . . 4.510 4.010 3.857 4.169 . 0 0 "[ . 1 . 2]" 1
378 1 42 VAL HB 1 43 CYS H . . 4.720 4.063 3.924 4.194 . 0 0 "[ . 1 . 2]" 1
379 1 43 CYS H 1 44 TYR HA . . 5.210 4.672 4.560 4.771 . 0 0 "[ . 1 . 2]" 1
380 1 43 CYS H 1 58 VAL H . . 4.720 3.104 2.860 3.338 . 0 0 "[ . 1 . 2]" 1
381 1 43 CYS H 1 56 GLU H . . 3.920 3.849 3.708 3.911 . 0 0 "[ . 1 . 2]" 1
382 1 44 TYR H 1 55 VAL MG1 . . 4.970 3.427 3.274 3.617 . 0 0 "[ . 1 . 2]" 1
383 1 44 TYR H 1 56 GLU HA . . 5.230 4.837 4.665 5.063 . 0 0 "[ . 1 . 2]" 1
384 1 44 TYR H 1 57 PHE HA . . 5.500 4.512 4.256 4.779 . 0 0 "[ . 1 . 2]" 1
385 1 44 TYR H 1 44 TYR QD . . 4.750 4.340 4.145 4.438 . 0 0 "[ . 1 . 2]" 1
386 1 42 VAL MG1 1 45 ALA H . . 4.770 3.933 3.670 4.055 . 0 0 "[ . 1 . 2]" 1
387 1 44 TYR HB2 1 45 ALA H . . 4.420 3.981 3.897 4.133 . 0 0 "[ . 1 . 2]" 1
388 1 44 TYR QE 1 45 ALA H . . 4.850 3.803 3.456 4.591 . 0 0 "[ . 1 . 2]" 1
389 1 45 ALA H 1 46 ASP H . . 4.560 4.295 4.165 4.411 . 0 0 "[ . 1 . 2]" 1
390 1 44 TYR H 1 45 ALA H . . 4.300 4.253 4.083 4.301 0.001 15 0 "[ . 1 . 2]" 1
391 1 29 TRP HD1 1 47 VAL H . . 5.210 4.430 3.902 4.721 . 0 0 "[ . 1 . 2]" 1
392 1 46 ASP H 1 47 VAL H . . 4.590 4.177 4.081 4.240 . 0 0 "[ . 1 . 2]" 1
393 1 47 VAL H 1 48 TYR H . . 4.680 4.430 4.304 4.534 . 0 0 "[ . 1 . 2]" 1
394 1 52 THR H 1 53 GLY H . . 5.490 4.453 4.378 4.484 . 0 0 "[ . 1 . 2]" 1
395 1 46 ASP QB 1 54 VAL H . . 4.380 3.637 3.278 4.094 . 0 0 "[ . 1 . 2]" 1
396 1 53 GLY H 1 54 VAL H . . 4.430 4.339 4.214 4.435 0.005 18 0 "[ . 1 . 2]" 1
397 1 55 VAL H 1 56 GLU H . . 4.530 4.384 4.299 4.445 . 0 0 "[ . 1 . 2]" 1
398 1 17 ARG HA 1 57 PHE H . . 4.430 3.568 3.194 3.847 . 0 0 "[ . 1 . 2]" 1
399 1 42 VAL MG1 1 58 VAL H . . 5.500 4.655 4.415 4.889 . 0 0 "[ . 1 . 2]" 1
400 1 42 VAL MG2 1 58 VAL H . . 5.500 4.956 4.741 5.253 . 0 0 "[ . 1 . 2]" 1
401 1 41 ASP QB 1 58 VAL H . . 4.210 3.948 3.756 4.136 . 0 0 "[ . 1 . 2]" 1
402 1 57 PHE QD 1 58 VAL H . . 4.390 4.076 3.891 4.277 . 0 0 "[ . 1 . 2]" 1
403 1 57 PHE HB3 1 59 ARG H . . 4.350 2.868 2.780 2.986 . 0 0 "[ . 1 . 2]" 1
404 1 57 PHE HA 1 59 ARG H . . 5.110 3.780 3.627 3.969 . 0 0 "[ . 1 . 2]" 1
405 1 57 PHE QD 1 59 ARG H . . 4.800 4.582 4.341 4.799 . 0 0 "[ . 1 . 2]" 1
406 1 60 LYS H 1 60 LYS QG . . 4.800 3.959 3.828 4.043 . 0 0 "[ . 1 . 2]" 1
407 1 61 GLU H 1 62 ASP H . . 4.900 2.939 2.769 3.131 . 0 0 "[ . 1 . 2]" 1
408 1 62 ASP H 1 64 THR H . . 5.500 4.563 4.305 4.788 . 0 0 "[ . 1 . 2]" 1
409 1 63 MET H 1 64 THR HB . . 5.020 4.922 4.699 5.020 0.000 13 0 "[ . 1 . 2]" 1
410 1 63 MET H 1 65 TYR H . . 5.050 3.762 3.667 3.954 . 0 0 "[ . 1 . 2]" 1
411 1 64 THR H 1 66 ALA H . . 4.480 4.286 4.010 4.439 . 0 0 "[ . 1 . 2]" 1
412 1 67 VAL H 1 68 ARG QB . . 4.490 4.486 4.465 4.496 0.006 19 0 "[ . 1 . 2]" 1
413 1 67 VAL H 1 69 LYS H . . 4.620 4.479 4.347 4.605 . 0 0 "[ . 1 . 2]" 1
414 1 65 TYR HA 1 67 VAL H . . 4.500 4.356 4.199 4.479 . 0 0 "[ . 1 . 2]" 1
415 1 66 ALA HA 1 69 LYS H . . 4.400 3.613 3.491 3.820 . 0 0 "[ . 1 . 2]" 1
416 1 67 VAL HA 1 69 LYS H . . 5.500 4.992 4.840 5.271 . 0 0 "[ . 1 . 2]" 1
417 1 65 TYR QB 1 69 LYS H . . 5.500 4.992 4.943 5.043 . 0 0 "[ . 1 . 2]" 1
418 1 68 ARG QD 1 69 LYS H . . 5.500 4.474 4.328 4.614 . 0 0 "[ . 1 . 2]" 1
419 1 69 LYS H 1 71 ASP H . . 4.810 4.670 4.429 4.810 0.000 8 0 "[ . 1 . 2]" 1
420 1 68 ARG QB 1 70 LEU H . . 4.700 4.423 4.341 4.513 . 0 0 "[ . 1 . 2]" 1
421 1 70 LEU H 1 71 ASP HB2 . . 5.160 4.948 4.783 5.058 . 0 0 "[ . 1 . 2]" 1
422 1 70 LEU H 1 71 ASP HB3 . . 5.170 4.477 4.398 4.663 . 0 0 "[ . 1 . 2]" 1
423 1 68 ARG H 1 70 LEU H . . 4.670 3.640 3.428 3.734 . 0 0 "[ . 1 . 2]" 1
424 1 72 ASN H 1 87 VAL HB . . 5.340 4.415 4.110 4.585 . 0 0 "[ . 1 . 2]" 1
425 1 71 ASP H 1 72 ASN H . . 4.780 4.015 3.910 4.190 . 0 0 "[ . 1 . 2]" 1
426 1 73 THR H 1 87 VAL MG2 . . 4.600 4.334 4.030 4.568 . 0 0 "[ . 1 . 2]" 1
427 1 73 THR H 1 85 ILE HG12 . . 4.580 4.485 4.383 4.576 . 0 0 "[ . 1 . 2]" 1
428 1 73 THR H 1 85 ILE HB . . 5.460 5.394 5.306 5.458 . 0 0 "[ . 1 . 2]" 1
429 1 72 ASN HB3 1 73 THR H . . 5.130 4.213 4.141 4.251 . 0 0 "[ . 1 . 2]" 1
430 1 72 ASN HB2 1 73 THR H . . 5.130 4.555 4.502 4.614 . 0 0 "[ . 1 . 2]" 1
431 1 73 THR H 1 74 LYS H . . 4.540 4.524 4.512 4.535 . 0 0 "[ . 1 . 2]" 1
432 1 74 LYS HG3 1 75 PHE H . . 4.660 3.593 2.922 4.377 . 0 0 "[ . 1 . 2]" 1
433 1 74 LYS HB3 1 75 PHE H . . 5.150 4.335 4.225 4.442 . 0 0 "[ . 1 . 2]" 1
434 1 75 PHE H 1 85 ILE HG13 . . 5.500 4.412 4.028 4.748 . 0 0 "[ . 1 . 2]" 1
435 1 75 PHE H 1 83 ALA MB . . 5.280 4.105 4.032 4.193 . 0 0 "[ . 1 . 2]" 1
436 1 75 PHE H 1 76 ARG H . . 4.650 4.502 4.391 4.580 . 0 0 "[ . 1 . 2]" 1
437 1 75 PHE HB2 1 76 ARG H . . 4.680 3.906 3.745 4.037 . 0 0 "[ . 1 . 2]" 1
438 1 75 PHE HB3 1 76 ARG H . . 4.840 4.278 4.109 4.435 . 0 0 "[ . 1 . 2]" 1
439 1 24 PRO HG3 1 77 SER H . . 4.980 4.115 3.806 4.457 . 0 0 "[ . 1 . 2]" 1
440 1 76 ARG HB3 1 77 SER H . . 5.080 4.034 3.749 4.287 . 0 0 "[ . 1 . 2]" 1
441 1 77 SER H 1 77 SER HG . . 4.710 3.281 2.329 4.076 . 0 0 "[ . 1 . 2]" 1
442 1 75 PHE QE 1 77 SER H . . 5.350 4.012 3.717 4.401 . 0 0 "[ . 1 . 2]" 1
443 1 76 ARG H 1 77 SER H . . 5.500 4.452 4.392 4.519 . 0 0 "[ . 1 . 2]" 1
444 1 77 SER HB3 1 78 HIS H . . 4.510 3.699 2.256 3.923 . 0 0 "[ . 1 . 2]" 1
445 1 78 HIS H 1 78 HIS HD2 . . 4.680 4.493 4.146 4.658 . 0 0 "[ . 1 . 2]" 1
446 1 78 HIS HB3 1 79 GLU H . . 4.280 4.102 3.831 4.261 . 0 0 "[ . 1 . 2]" 1
447 1 77 SER HB3 1 79 GLU H . . 4.580 4.155 3.075 4.575 . 0 0 "[ . 1 . 2]" 1
448 1 78 HIS HB2 1 79 GLU H . . 4.280 3.836 3.522 4.168 . 0 0 "[ . 1 . 2]" 1
449 1 77 SER HG 1 79 GLU H . . 4.850 2.871 1.904 4.445 . 0 0 "[ . 1 . 2]" 1
450 1 78 HIS HD2 1 79 GLU H . . 5.180 3.494 2.803 4.261 . 0 0 "[ . 1 . 2]" 1
451 1 79 GLU HB2 1 80 GLY H . . 4.730 3.315 2.948 4.200 . 0 0 "[ . 1 . 2]" 1
452 1 79 GLU HB3 1 80 GLY H . . 4.730 4.023 3.735 4.362 . 0 0 "[ . 1 . 2]" 1
453 1 77 SER H 1 80 GLY H . . 4.870 3.697 3.455 4.120 . 0 0 "[ . 1 . 2]" 1
454 1 77 SER HG 1 81 GLU H . . 4.500 3.156 2.283 4.273 . 0 0 "[ . 1 . 2]" 1
455 1 82 THR H 1 83 ALA MB . . 5.260 4.443 4.326 4.556 . 0 0 "[ . 1 . 2]" 1
456 1 81 GLU H 1 82 THR H . . 4.850 4.615 4.550 4.640 . 0 0 "[ . 1 . 2]" 1
457 1 24 PRO HB3 1 83 ALA H . . 5.500 5.082 4.673 5.431 . 0 0 "[ . 1 . 2]" 1
458 1 24 PRO HG3 1 83 ALA H . . 4.910 4.547 4.335 4.856 . 0 0 "[ . 1 . 2]" 1
459 1 75 PHE QD 1 83 ALA H . . 4.490 3.651 3.307 3.963 . 0 0 "[ . 1 . 2]" 1
460 1 84 TYR H 1 85 ILE H . . 4.770 4.502 4.435 4.585 . 0 0 "[ . 1 . 2]" 1
461 1 22 GLY HA3 1 86 ARG H . . 4.850 3.936 3.631 4.175 . 0 0 "[ . 1 . 2]" 1
462 1 85 ILE HG12 1 86 ARG H . . 5.410 5.156 5.086 5.273 . 0 0 "[ . 1 . 2]" 1
463 1 86 ARG HD3 1 87 VAL H . . 4.970 4.208 3.276 4.963 . 0 0 "[ . 1 . 2]" 1
464 1 71 ASP HB3 1 87 VAL H . . 5.080 4.627 4.331 4.871 . 0 0 "[ . 1 . 2]" 1
465 1 86 ARG HG3 1 87 VAL H . . 4.900 3.518 2.221 4.900 . 0 0 "[ . 1 . 2]" 1
466 1 86 ARG H 1 87 VAL H . . 5.010 4.464 4.350 4.531 . 0 0 "[ . 1 . 2]" 1
467 1 90 ASP H 1 91 GLY H . . 4.720 4.455 3.606 4.652 . 0 0 "[ . 1 . 2]" 1
468 1 93 ARG H 1 93 ARG QG . . 4.890 3.935 2.861 4.264 . 0 0 "[ . 1 . 2]" 1
469 1 29 TRP HE1 1 45 ALA MB . . 5.500 5.468 5.372 5.506 0.006 1 0 "[ . 1 . 2]" 1
470 1 28 SER H 1 47 VAL MG1 . . 5.500 4.600 4.113 4.910 . 0 0 "[ . 1 . 2]" 1
471 1 28 SER H 1 47 VAL MG2 . . 5.500 4.409 4.074 4.647 . 0 0 "[ . 1 . 2]" 1
472 1 74 LYS HA 1 83 ALA H . . 4.150 3.917 3.741 4.138 . 0 0 "[ . 1 . 2]" 1
473 1 18 VAL HA 1 88 LYS H . . 4.560 4.318 4.132 4.530 . 0 0 "[ . 1 . 2]" 1
474 1 35 HIS H 1 36 MET HG2 . . 5.200 3.997 3.577 4.843 . 0 0 "[ . 1 . 2]" 1
475 1 36 MET HG2 1 37 ARG H . . 5.500 4.379 4.102 4.721 . 0 0 "[ . 1 . 2]" 1
476 1 70 LEU H 1 70 LEU HG . . 3.330 2.349 2.209 2.505 . 0 0 "[ . 1 . 2]" 1
477 1 66 ALA MB 1 70 LEU H . . 4.130 3.830 3.751 3.926 . 0 0 "[ . 1 . 2]" 1
478 1 69 LYS HB2 1 70 LEU H . . 3.800 2.537 2.481 2.672 . 0 0 "[ . 1 . 2]" 1
479 1 44 TYR HB3 1 56 GLU H . . 4.530 2.943 2.526 3.282 . 0 0 "[ . 1 . 2]" 1
480 1 24 PRO HB2 1 27 GLY H . . 4.150 2.928 2.365 3.650 . 0 0 "[ . 1 . 2]" 1
481 1 50 ASP H 1 50 ASP HB2 . . 4.140 2.930 2.458 3.298 . 0 0 "[ . 1 . 2]" 1
482 1 88 LYS HG2 1 89 VAL H . . 4.890 4.392 4.029 4.782 . 0 0 "[ . 1 . 2]" 1
483 1 88 LYS HG3 1 89 VAL H . . 4.890 4.047 3.654 4.469 . 0 0 "[ . 1 . 2]" 1
484 1 18 VAL MG1 1 89 VAL H . . 3.690 3.267 3.105 3.388 . 0 0 "[ . 1 . 2]" 1
485 1 89 VAL H 1 90 ASP H . . 4.770 4.479 4.422 4.553 . 0 0 "[ . 1 . 2]" 1
486 1 71 ASP H 1 87 VAL H . . 5.500 5.293 5.111 5.495 . 0 0 "[ . 1 . 2]" 1
487 1 84 TYR H 1 84 TYR QE . . 4.280 4.139 3.918 4.273 . 0 0 "[ . 1 . 2]" 1
488 1 21 SER H 1 52 THR MG . . 4.820 4.636 4.317 4.803 . 0 0 "[ . 1 . 2]" 1
489 1 43 CYS HB3 1 44 TYR H . . 4.360 3.038 2.841 3.190 . 0 0 "[ . 1 . 2]" 1
490 1 87 VAL H 1 88 LYS H . . 4.490 4.407 4.259 4.489 . 0 0 "[ . 1 . 2]" 1
491 1 15 GLU HB3 1 16 ASN H . . 4.880 4.034 2.632 4.661 . 0 0 "[ . 1 . 2]" 1
492 1 74 LYS H 1 75 PHE H . . 4.430 4.389 4.277 4.432 0.002 6 0 "[ . 1 . 2]" 1
493 1 28 SER H 1 31 ASP H . . 4.470 3.609 3.269 3.846 . 0 0 "[ . 1 . 2]" 1
494 1 85 ILE HA 1 85 ILE MD . . 4.250 4.059 4.001 4.104 . 0 0 "[ . 1 . 2]" 1
495 1 20 VAL MG1 1 85 ILE MD . . 2.840 2.103 1.889 2.277 . 0 0 "[ . 1 . 2]" 1
496 1 85 ILE MD 1 87 VAL MG2 . . 3.120 2.313 2.151 2.459 . 0 0 "[ . 1 . 2]" 1
497 1 23 LEU MD2 1 85 ILE MD . . 3.980 3.603 3.247 3.915 . 0 0 "[ . 1 . 2]" 1
498 1 85 ILE MD 1 86 ARG H . . 4.130 4.059 3.898 4.130 . 10 0 "[ . 1 . 2]" 1
499 1 35 HIS HD2 1 85 ILE MD . . 3.660 3.320 2.899 3.647 . 0 0 "[ . 1 . 2]" 1
500 1 75 PHE HB2 1 85 ILE MD . . 3.880 2.747 2.418 2.949 . 0 0 "[ . 1 . 2]" 1
501 1 47 VAL MG1 1 53 GLY HA2 . . 3.730 3.340 3.023 3.716 . 0 0 "[ . 1 . 2]" 1
502 1 47 VAL MG1 1 53 GLY HA3 . . 4.070 2.551 2.138 2.943 . 0 0 "[ . 1 . 2]" 1
503 1 91 GLY HA2 1 92 PRO QD . . 3.120 2.370 1.960 2.646 . 0 0 "[ . 1 . 2]" 1
504 1 35 HIS HE1 1 75 PHE HA . . 3.540 2.892 2.408 3.351 . 0 0 "[ . 1 . 2]" 1
505 1 37 ARG HB3 1 37 ARG QD . . 3.230 2.244 2.004 2.784 . 0 0 "[ . 1 . 2]" 1
506 1 65 TYR HA 1 68 ARG QD . . 3.600 2.897 2.541 3.120 . 0 0 "[ . 1 . 2]" 1
507 1 68 ARG QD 1 68 ARG HG3 . . 2.670 2.151 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
508 1 64 THR MG 1 68 ARG QD . . 3.700 2.444 2.079 2.761 . 0 0 "[ . 1 . 2]" 1
509 1 67 VAL MG2 1 68 ARG QD . . 3.770 3.693 3.478 3.770 . 0 0 "[ . 1 . 2]" 1
510 1 49 ARG HA 1 49 ARG QD . . 3.970 3.384 2.229 3.959 . 0 0 "[ . 1 . 2]" 1
511 1 49 ARG HB2 1 49 ARG QD . . 3.540 2.891 1.990 3.408 . 0 0 "[ . 1 . 2]" 1
512 1 49 ARG HB3 1 49 ARG QD . . 3.540 2.267 1.977 3.308 . 0 0 "[ . 1 . 2]" 1
513 1 76 ARG HB2 1 76 ARG QD . . 3.310 2.665 2.116 3.309 . 0 0 "[ . 1 . 2]" 1
514 1 76 ARG HB3 1 76 ARG QD . . 3.310 2.316 1.981 2.986 . 0 0 "[ . 1 . 2]" 1
515 1 75 PHE H 1 75 PHE HB2 . . 3.930 3.145 3.015 3.248 . 0 0 "[ . 1 . 2]" 1
516 1 90 ASP H 1 90 ASP HB3 . . 3.720 2.600 2.491 2.792 . 0 0 "[ . 1 . 2]" 1
517 1 90 ASP H 1 90 ASP HB2 . . 3.910 2.477 2.322 2.585 . 0 0 "[ . 1 . 2]" 1
518 1 44 TYR HB3 1 56 GLU HB2 . . 3.890 2.135 1.997 2.457 . 0 0 "[ . 1 . 2]" 1
519 1 44 TYR HB3 1 56 GLU HB3 . . 3.890 2.266 1.996 2.703 . 0 0 "[ . 1 . 2]" 1
520 1 19 VAL HB 1 88 LYS QE . . 3.970 2.814 2.115 3.852 . 0 0 "[ . 1 . 2]" 1
521 1 33 LYS HB3 1 33 LYS QE . . 4.360 3.594 3.125 4.003 . 0 0 "[ . 1 . 2]" 1
522 1 69 LYS QE 1 69 LYS HG2 . . 3.380 2.439 2.200 2.800 . 0 0 "[ . 1 . 2]" 1
523 1 69 LYS QE 1 69 LYS HG3 . . 3.410 2.396 2.254 2.663 . 0 0 "[ . 1 . 2]" 1
524 1 28 SER HB3 1 78 HIS HE1 . . 4.370 3.620 2.038 4.347 . 0 0 "[ . 1 . 2]" 1
525 1 71 ASP H 1 71 ASP HB2 . . 3.730 3.537 3.441 3.616 . 0 0 "[ . 1 . 2]" 1
526 1 60 LYS QE 1 60 LYS QG . . 3.230 2.088 1.950 2.315 . 0 0 "[ . 1 . 2]" 1
527 1 33 LYS QE 1 33 LYS QG . . 2.850 2.097 1.954 2.482 . 0 0 "[ . 1 . 2]" 1
528 1 33 LYS QE 1 42 VAL MG1 . . 3.930 3.621 2.828 3.933 0.003 15 0 "[ . 1 . 2]" 1
529 1 33 LYS QE 1 42 VAL MG2 . . 4.170 3.254 2.538 3.713 . 0 0 "[ . 1 . 2]" 1
530 1 71 ASP H 1 71 ASP HB3 . . 3.570 2.611 2.510 2.693 . 0 0 "[ . 1 . 2]" 1
531 1 28 SER H 1 31 ASP HB2 . . 4.260 2.546 2.231 3.478 . 0 0 "[ . 1 . 2]" 1
532 1 74 LYS HB2 1 74 LYS QE . . 3.870 3.104 2.508 3.488 . 0 0 "[ . 1 . 2]" 1
533 1 74 LYS HB3 1 74 LYS QE . . 3.870 3.533 3.025 3.767 . 0 0 "[ . 1 . 2]" 1
534 1 31 ASP HB3 1 75 PHE HZ . . 3.890 2.090 2.000 2.420 . 0 0 "[ . 1 . 2]" 1
535 1 74 LYS QE 1 82 THR HB . . 4.170 2.804 2.164 3.613 . 0 0 "[ . 1 . 2]" 1
536 1 74 LYS QE 1 82 THR MG . . 3.750 2.954 2.023 3.695 . 0 0 "[ . 1 . 2]" 1
537 1 70 LEU HB2 1 70 LEU MD2 . . 3.590 3.188 3.177 3.195 . 0 0 "[ . 1 . 2]" 1
538 1 70 LEU HB3 1 70 LEU MD2 . . 3.590 2.390 2.339 2.446 . 0 0 "[ . 1 . 2]" 1
539 1 32 LEU HB2 1 32 LEU MD1 . . 3.570 2.338 2.204 2.444 . 0 0 "[ . 1 . 2]" 1
540 1 86 ARG HA 1 86 ARG HD2 . . 4.130 3.316 2.231 4.028 . 0 0 "[ . 1 . 2]" 1
541 1 72 ASN H 1 86 ARG HD3 . . 5.000 4.271 3.576 5.003 0.003 16 0 "[ . 1 . 2]" 1
542 1 86 ARG HA 1 86 ARG HD3 . . 4.130 3.261 2.614 4.123 . 0 0 "[ . 1 . 2]" 1
543 1 41 ASP QB 1 58 VAL HB . . 4.080 4.043 3.968 4.088 0.008 18 0 "[ . 1 . 2]" 1
544 1 85 ILE HB 1 85 ILE MD . . 3.140 2.135 2.008 2.248 . 0 0 "[ . 1 . 2]" 1
545 1 19 VAL MG1 1 52 THR HB . . 3.900 3.776 3.462 3.900 . 0 0 "[ . 1 . 2]" 1
546 1 52 THR HB 1 53 GLY H . . 3.260 2.440 2.155 2.918 . 0 0 "[ . 1 . 2]" 1
547 1 23 LEU H 1 23 LEU HB3 . . 4.190 3.510 3.466 3.553 . 0 0 "[ . 1 . 2]" 1
548 1 34 ASP H 1 34 ASP HB2 . . 3.650 2.238 2.073 2.521 . 0 0 "[ . 1 . 2]" 1
549 1 31 ASP HA 1 34 ASP HB2 . . 3.830 2.955 2.438 3.609 . 0 0 "[ . 1 . 2]" 1
550 1 34 ASP H 1 34 ASP HB3 . . 3.650 2.919 2.567 3.308 . 0 0 "[ . 1 . 2]" 1
551 1 74 LYS QD 1 82 THR HB . . 3.880 2.431 1.980 3.126 . 0 0 "[ . 1 . 2]" 1
552 1 74 LYS HG2 1 82 THR HB . . 3.980 2.624 2.250 3.105 . 0 0 "[ . 1 . 2]" 1
553 1 74 LYS HG3 1 82 THR HB . . 3.980 2.534 2.142 3.183 . 0 0 "[ . 1 . 2]" 1
554 1 62 ASP H 1 62 ASP HB2 . . 4.000 2.767 2.516 2.966 . 0 0 "[ . 1 . 2]" 1
555 1 84 TYR H 1 84 TYR HB3 . . 3.950 3.594 3.568 3.605 . 0 0 "[ . 1 . 2]" 1
556 1 81 GLU H 1 81 GLU HG2 . . 4.820 4.582 4.421 4.728 . 0 0 "[ . 1 . 2]" 1
557 1 81 GLU HA 1 81 GLU HG2 . . 4.000 3.146 2.656 3.710 . 0 0 "[ . 1 . 2]" 1
558 1 39 ALA HA 1 65 TYR QD . . 3.230 2.050 1.997 2.245 . 0 0 "[ . 1 . 2]" 1
559 1 65 TYR QD 1 66 ALA MB . . 3.720 3.504 3.334 3.703 . 0 0 "[ . 1 . 2]" 1
560 1 48 TYR H 1 48 TYR QD . . 4.060 2.314 1.900 3.104 . 0 0 "[ . 1 . 2]" 1
561 1 48 TYR HA 1 48 TYR QD . . 3.510 3.065 2.831 3.197 . 0 0 "[ . 1 . 2]" 1
562 1 48 TYR QD 1 52 THR HB . . 4.340 3.428 2.767 3.981 . 0 0 "[ . 1 . 2]" 1
563 1 48 TYR QD 1 53 GLY HA3 . . 4.800 4.026 3.811 4.229 . 0 0 "[ . 1 . 2]" 1
564 1 17 ARG HG3 1 56 GLU QG . . 3.790 2.892 2.215 3.244 . 0 0 "[ . 1 . 2]" 1
565 1 88 LYS HB2 1 89 VAL H . . 3.520 2.743 2.514 2.939 . 0 0 "[ . 1 . 2]" 1
566 1 67 VAL MG1 1 88 LYS HB2 . . 4.160 4.036 3.838 4.164 0.004 15 0 "[ . 1 . 2]" 1
567 1 88 LYS H 1 88 LYS HB3 . . 3.570 3.318 3.221 3.436 . 0 0 "[ . 1 . 2]" 1
568 1 67 VAL MG1 1 88 LYS HB3 . . 4.350 4.210 3.963 4.331 . 0 0 "[ . 1 . 2]" 1
569 1 44 TYR QD 1 56 GLU HB2 . . 4.170 2.265 2.000 2.469 . 0 0 "[ . 1 . 2]" 1
570 1 44 TYR HA 1 44 TYR QD . . 3.950 2.482 2.283 2.993 . 0 0 "[ . 1 . 2]" 1
571 1 44 TYR QD 1 54 VAL MG2 . . 4.370 3.544 3.193 3.835 . 0 0 "[ . 1 . 2]" 1
572 1 64 THR HB 1 65 TYR H . . 3.550 3.021 2.780 3.166 . 0 0 "[ . 1 . 2]" 1
573 1 38 GLU H 1 38 GLU HG3 . . 4.340 3.900 3.642 4.232 . 0 0 "[ . 1 . 2]" 1
574 1 38 GLU HA 1 38 GLU HG3 . . 3.880 2.769 2.088 3.530 . 0 0 "[ . 1 . 2]" 1
575 1 79 GLU HA 1 79 GLU HG2 . . 3.980 2.924 2.426 3.977 . 0 0 "[ . 1 . 2]" 1
576 1 79 GLU HA 1 79 GLU HG3 . . 3.980 3.713 3.584 3.899 . 0 0 "[ . 1 . 2]" 1
577 1 15 GLU H 1 15 GLU HG2 . . 4.310 3.701 2.462 4.290 . 0 0 "[ . 1 . 2]" 1
578 1 15 GLU HA 1 15 GLU HG3 . . 3.960 3.291 2.323 3.886 . 0 0 "[ . 1 . 2]" 1
579 1 75 PHE HA 1 75 PHE QD . . 3.920 3.092 2.959 3.275 . 0 0 "[ . 1 . 2]" 1
580 1 35 HIS HB2 1 75 PHE QD . . 4.180 2.410 2.195 2.736 . 0 0 "[ . 1 . 2]" 1
581 1 24 PRO HD2 1 75 PHE QD . . 4.010 3.156 2.728 3.670 . 0 0 "[ . 1 . 2]" 1
582 1 35 HIS HB3 1 75 PHE QD . . 4.180 2.702 2.410 3.005 . 0 0 "[ . 1 . 2]" 1
583 1 75 PHE QD 1 85 ILE MD . . 3.740 3.506 3.119 3.752 0.012 19 0 "[ . 1 . 2]" 1
584 1 75 PHE QD 1 85 ILE MG . . 3.830 3.132 2.909 3.398 . 0 0 "[ . 1 . 2]" 1
585 1 24 PRO HD3 1 75 PHE QD . . 3.650 2.631 2.270 3.131 . 0 0 "[ . 1 . 2]" 1
586 1 57 PHE QD 1 66 ALA MB . . 3.860 3.690 3.484 3.844 . 0 0 "[ . 1 . 2]" 1
587 1 18 VAL MG1 1 57 PHE QD . . 3.490 3.314 3.081 3.482 . 0 0 "[ . 1 . 2]" 1
588 1 39 ALA MB 1 57 PHE QD . . 3.790 3.397 2.905 3.720 . 0 0 "[ . 1 . 2]" 1
589 1 18 VAL MG2 1 57 PHE QD . . 3.470 2.763 2.345 3.279 . 0 0 "[ . 1 . 2]" 1
590 1 28 SER H 1 28 SER HB3 . . 3.820 3.024 2.583 3.701 . 0 0 "[ . 1 . 2]" 1
591 1 47 VAL HB 1 48 TYR H . . 4.000 2.821 2.335 3.248 . 0 0 "[ . 1 . 2]" 1
592 1 67 VAL HA 1 87 VAL HB . . 3.740 2.605 2.501 2.732 . 0 0 "[ . 1 . 2]" 1
593 1 71 ASP HB2 1 87 VAL HB . . 3.810 2.864 2.511 3.118 . 0 0 "[ . 1 . 2]" 1
594 1 14 SER HB2 1 16 ASN H . . 4.100 3.302 2.221 3.940 . 0 0 "[ . 1 . 2]" 1
595 1 14 SER HB3 1 15 GLU H . . 3.890 2.607 1.938 3.761 . 0 0 "[ . 1 . 2]" 1
596 1 33 LYS QE 1 42 VAL HB . . 4.460 2.865 2.091 3.182 . 0 0 "[ . 1 . 2]" 1
597 1 20 VAL HB 1 53 GLY H . . 3.950 2.612 2.263 2.953 . 0 0 "[ . 1 . 2]" 1
598 1 20 VAL HB 1 23 LEU MD1 . . 3.950 2.398 2.169 2.567 . 0 0 "[ . 1 . 2]" 1
599 1 64 THR HA 1 67 VAL MG2 . . 3.550 2.049 1.951 2.194 . 0 0 "[ . 1 . 2]" 1
600 1 67 VAL HA 1 67 VAL MG1 . . 2.950 2.277 2.191 2.375 . 0 0 "[ . 1 . 2]" 1
601 1 67 VAL HA 1 87 VAL MG1 . . 3.230 2.954 2.652 3.215 . 0 0 "[ . 1 . 2]" 1
602 1 21 SER HB3 1 22 GLY H . . 3.920 3.829 3.680 3.923 0.003 5 0 "[ . 1 . 2]" 1
603 1 18 VAL HB 1 87 VAL MG1 . . 3.110 2.167 1.953 2.450 . 0 0 "[ . 1 . 2]" 1
604 1 32 LEU MD1 1 36 MET HG2 . . 3.720 2.412 2.126 2.829 . 0 0 "[ . 1 . 2]" 1
605 1 36 MET HG2 1 55 VAL MG2 . . 4.270 3.299 2.650 3.656 . 0 0 "[ . 1 . 2]" 1
606 1 36 MET H 1 36 MET HG3 . . 4.080 3.607 3.221 3.828 . 0 0 "[ . 1 . 2]" 1
607 1 32 LEU MD1 1 36 MET HG3 . . 3.810 2.485 1.987 3.245 . 0 0 "[ . 1 . 2]" 1
608 1 69 LYS HB3 1 70 LEU H . . 4.190 3.442 3.354 3.606 . 0 0 "[ . 1 . 2]" 1
609 1 69 LYS HB2 1 69 LYS HG2 . . 2.980 2.806 2.785 2.834 . 0 0 "[ . 1 . 2]" 1
610 1 39 ALA MB 1 57 PHE QE . . 3.860 2.679 2.179 2.984 . 0 0 "[ . 1 . 2]" 1
611 1 30 GLN HA 1 30 GLN HG2 . . 3.940 2.405 2.058 2.906 . 0 0 "[ . 1 . 2]" 1
612 1 30 GLN HA 1 30 GLN HG3 . . 3.940 2.637 2.196 3.169 . 0 0 "[ . 1 . 2]" 1
613 1 89 VAL HB 1 90 ASP H . . 4.370 4.277 4.123 4.349 . 0 0 "[ . 1 . 2]" 1
614 1 74 LYS HB2 1 74 LYS QD . . 3.360 2.443 1.986 2.852 . 0 0 "[ . 1 . 2]" 1
615 1 74 LYS HB3 1 74 LYS QD . . 3.360 2.555 2.005 3.324 . 0 0 "[ . 1 . 2]" 1
616 1 29 TRP HB2 1 29 TRP HD1 . . 3.720 3.691 3.668 3.721 0.001 20 0 "[ . 1 . 2]" 1
617 1 29 TRP HB3 1 29 TRP HD1 . . 3.680 2.567 2.559 2.579 . 0 0 "[ . 1 . 2]" 1
618 1 89 VAL HA 1 90 ASP H . . 3.310 2.143 2.138 2.157 . 0 0 "[ . 1 . 2]" 1
619 1 89 VAL HA 1 89 VAL MG2 . . 3.370 2.357 2.272 2.459 . 0 0 "[ . 1 . 2]" 1
620 1 67 VAL MG1 1 89 VAL HA . . 3.430 3.248 3.053 3.386 . 0 0 "[ . 1 . 2]" 1
621 1 18 VAL MG1 1 89 VAL HA . . 3.370 1.906 1.791 2.078 . 0 0 "[ . 1 . 2]" 1
622 1 33 LYS H 1 33 LYS HB3 . . 3.570 2.374 2.250 2.517 . 0 0 "[ . 1 . 2]" 1
623 1 33 LYS HB3 1 34 ASP H . . 3.710 2.696 2.409 2.898 . 0 0 "[ . 1 . 2]" 1
624 1 29 TRP HB2 1 33 LYS HB2 . . 5.200 4.733 4.396 5.127 . 0 0 "[ . 1 . 2]" 1
625 1 30 GLN HA 1 33 LYS HB2 . . 5.470 4.630 3.752 5.090 . 0 0 "[ . 1 . 2]" 1
626 1 26 SER HB2 1 79 GLU HG3 . . 4.570 3.391 2.080 4.078 . 0 0 "[ . 1 . 2]" 1
627 1 58 VAL HB 1 59 ARG H . . 4.170 4.129 4.068 4.167 . 0 0 "[ . 1 . 2]" 1
628 1 58 VAL H 1 58 VAL HB . . 3.690 2.746 2.666 2.800 . 0 0 "[ . 1 . 2]" 1
629 1 64 THR HA 1 67 VAL HB . . 5.020 4.900 4.758 5.006 . 0 0 "[ . 1 . 2]" 1
630 1 36 MET HB2 1 57 PHE QE . . 4.080 3.249 2.802 3.896 . 0 0 "[ . 1 . 2]" 1
631 1 63 MET HB3 1 63 MET HG2 . . 2.950 2.667 2.624 2.725 . 0 0 "[ . 1 . 2]" 1
632 1 18 VAL MG2 1 63 MET HG2 . . 4.170 3.614 3.307 3.868 . 0 0 "[ . 1 . 2]" 1
633 1 63 MET HG2 1 67 VAL MG1 . . 4.300 3.043 2.824 3.337 . 0 0 "[ . 1 . 2]" 1
634 1 63 MET HG3 1 89 VAL MG2 . . 4.460 4.258 4.031 4.424 . 0 0 "[ . 1 . 2]" 1
635 1 92 PRO HA 1 93 ARG QB . . 4.040 3.946 3.776 4.097 0.057 20 0 "[ . 1 . 2]" 1
636 1 18 VAL MG2 1 63 MET HG3 . . 3.690 2.865 2.589 3.218 . 0 0 "[ . 1 . 2]" 1
637 1 65 TYR HA 1 68 ARG QB . . 3.410 2.562 2.425 2.717 . 0 0 "[ . 1 . 2]" 1
638 1 68 ARG QB 1 68 ARG QD . . 3.310 2.102 2.081 2.124 . 0 0 "[ . 1 . 2]" 1
639 1 93 ARG QB 1 93 ARG QG . . 2.400 2.044 2.010 2.086 . 0 0 "[ . 1 . 2]" 1
640 1 33 LYS HB3 1 33 LYS HD2 . . 4.190 2.515 1.998 3.466 . 0 0 "[ . 1 . 2]" 1
641 1 29 TRP HZ3 1 33 LYS HD2 . . 4.160 2.176 2.007 2.910 . 0 0 "[ . 1 . 2]" 1
642 1 29 TRP HZ3 1 33 LYS HD3 . . 4.160 3.071 2.000 4.126 . 0 0 "[ . 1 . 2]" 1
643 1 33 LYS HB3 1 33 LYS HD3 . . 4.190 2.548 1.964 3.136 . 0 0 "[ . 1 . 2]" 1
644 1 9 PRO HA 1 10 PRO HD2 . . 3.550 2.322 2.226 2.529 . 0 0 "[ . 1 . 2]" 1
645 1 9 PRO HA 1 10 PRO QG . . 4.890 3.959 3.903 4.088 . 0 0 "[ . 1 . 2]" 1
646 1 42 VAL HA 1 42 VAL MG1 . . 3.420 2.437 2.340 2.522 . 0 0 "[ . 1 . 2]" 1
647 1 15 GLU H 1 15 GLU HB2 . . 4.090 3.057 2.202 4.019 . 0 0 "[ . 1 . 2]" 1
648 1 37 ARG HB2 1 37 ARG QD . . 3.820 2.895 2.639 3.291 . 0 0 "[ . 1 . 2]" 1
649 1 37 ARG H 1 37 ARG HB3 . . 3.600 3.555 3.459 3.592 . 0 0 "[ . 1 . 2]" 1
650 1 19 VAL MG1 1 88 LYS QD . . 4.940 3.962 3.190 4.926 . 0 0 "[ . 1 . 2]" 1
651 1 19 VAL MG2 1 88 LYS QD . . 5.420 4.275 2.818 4.750 . 0 0 "[ . 1 . 2]" 1
652 1 43 CYS HB3 1 58 VAL MG1 . . 4.120 4.071 3.947 4.118 . 0 0 "[ . 1 . 2]" 1
653 1 42 VAL HA 1 58 VAL H . . 4.180 3.250 3.041 3.594 . 0 0 "[ . 1 . 2]" 1
654 1 65 TYR HA 1 65 TYR QD . . 3.590 2.998 2.842 3.118 . 0 0 "[ . 1 . 2]" 1
655 1 33 LYS HA 1 33 LYS QG . . 3.240 2.617 2.553 2.727 . 0 0 "[ . 1 . 2]" 1
656 1 33 LYS HA 1 42 VAL MG2 . . 3.610 2.898 2.628 3.111 . 0 0 "[ . 1 . 2]" 1
657 1 24 PRO HA 1 25 PRO HD3 . . 3.240 2.335 2.265 2.385 . 0 0 "[ . 1 . 2]" 1
658 1 47 VAL HA 1 48 TYR H . . 3.240 2.255 2.152 2.420 . 0 0 "[ . 1 . 2]" 1
659 1 47 VAL HA 1 53 GLY HA2 . . 3.690 2.128 2.009 2.510 . 0 0 "[ . 1 . 2]" 1
660 1 47 VAL HA 1 47 VAL MG1 . . 3.380 2.302 2.055 2.450 . 0 0 "[ . 1 . 2]" 1
661 1 29 TRP HA 1 29 TRP HB2 . . 2.990 2.311 2.293 2.362 . 0 0 "[ . 1 . 2]" 1
662 1 29 TRP HA 1 32 LEU HB3 . . 3.780 2.225 2.043 2.491 . 0 0 "[ . 1 . 2]" 1
663 1 29 TRP HA 1 32 LEU HB2 . . 3.950 3.546 3.117 3.939 . 0 0 "[ . 1 . 2]" 1
664 1 29 TRP HA 1 47 VAL MG1 . . 3.480 2.092 1.947 2.335 . 0 0 "[ . 1 . 2]" 1
665 1 19 VAL HA 1 20 VAL H . . 3.080 2.234 2.178 2.287 . 0 0 "[ . 1 . 2]" 1
666 1 19 VAL HA 1 20 VAL MG2 . . 3.640 3.219 3.073 3.382 . 0 0 "[ . 1 . 2]" 1
667 1 16 ASN HB3 1 60 LYS HA . . 4.310 2.405 2.160 2.637 . 0 0 "[ . 1 . 2]" 1
668 1 60 LYS HA 1 63 MET HB3 . . 3.900 2.639 2.497 2.801 . 0 0 "[ . 1 . 2]" 1
669 1 60 LYS HA 1 63 MET ME . . 3.930 3.702 3.369 3.929 . 0 0 "[ . 1 . 2]" 1
670 1 60 LYS HA 1 63 MET HB2 . . 3.700 2.842 2.618 3.102 . 0 0 "[ . 1 . 2]" 1
671 1 60 LYS HA 1 60 LYS QG . . 3.510 2.469 2.215 2.724 . 0 0 "[ . 1 . 2]" 1
672 1 61 GLU HA 1 61 GLU HG2 . . 3.740 2.622 2.050 3.686 . 0 0 "[ . 1 . 2]" 1
673 1 30 GLN HA 1 33 LYS HB3 . . 3.640 3.454 3.123 3.601 . 0 0 "[ . 1 . 2]" 1
674 1 29 TRP HB2 1 29 TRP HE3 . . 3.760 2.810 2.755 2.852 . 0 0 "[ . 1 . 2]" 1
675 1 29 TRP HE3 1 30 GLN HA . . 4.160 2.935 2.635 3.155 . 0 0 "[ . 1 . 2]" 1
676 1 29 TRP HB2 1 47 VAL MG2 . . 4.880 3.617 3.193 3.921 . 0 0 "[ . 1 . 2]" 1
677 1 29 TRP HB3 1 47 VAL MG2 . . 4.410 2.280 1.981 2.645 . 0 0 "[ . 1 . 2]" 1
678 1 19 VAL HA 1 54 VAL HA . . 3.450 2.706 2.548 2.858 . 0 0 "[ . 1 . 2]" 1
679 1 54 VAL HA 1 54 VAL MG1 . . 3.470 2.287 2.163 2.419 . 0 0 "[ . 1 . 2]" 1
680 1 20 VAL H 1 54 VAL HA . . 3.930 3.200 2.864 3.444 . 0 0 "[ . 1 . 2]" 1
681 1 61 GLU HA 1 61 GLU HG3 . . 3.740 2.795 2.114 3.579 . 0 0 "[ . 1 . 2]" 1
682 1 29 TRP HB2 1 46 ASP H . . 4.190 3.316 3.105 3.489 . 0 0 "[ . 1 . 2]" 1
683 1 65 TYR HA 1 68 ARG HG3 . . 4.110 3.561 3.395 3.701 . 0 0 "[ . 1 . 2]" 1
684 1 68 ARG HA 1 68 ARG HG3 . . 4.230 2.946 2.863 3.041 . 0 0 "[ . 1 . 2]" 1
685 1 67 VAL MG2 1 68 ARG HG3 . . 4.160 2.253 2.119 2.405 . 0 0 "[ . 1 . 2]" 1
686 1 68 ARG H 1 68 ARG HG2 . . 3.920 3.910 3.853 3.923 0.003 15 0 "[ . 1 . 2]" 1
687 1 68 ARG HA 1 68 ARG HG2 . . 3.530 2.491 2.438 2.633 . 0 0 "[ . 1 . 2]" 1
688 1 67 VAL MG2 1 68 ARG HG2 . . 3.630 3.490 3.394 3.571 . 0 0 "[ . 1 . 2]" 1
689 1 66 ALA H 1 70 LEU MD1 . . 4.620 4.375 4.071 4.625 0.005 15 0 "[ . 1 . 2]" 1
690 1 70 LEU H 1 70 LEU MD1 . . 4.790 3.722 3.617 3.854 . 0 0 "[ . 1 . 2]" 1
691 1 57 PHE QE 1 70 LEU MD1 . . 4.510 3.808 3.611 3.948 . 0 0 "[ . 1 . 2]" 1
692 1 35 HIS HD2 1 70 LEU MD1 . . 4.330 3.345 2.761 3.929 . 0 0 "[ . 1 . 2]" 1
693 1 70 LEU HA 1 70 LEU MD1 . . 4.190 3.900 3.844 3.943 . 0 0 "[ . 1 . 2]" 1
694 1 36 MET HA 1 70 LEU MD1 . . 3.330 2.103 1.818 2.279 . 0 0 "[ . 1 . 2]" 1
695 1 39 ALA MB 1 70 LEU MD1 . . 2.820 2.116 1.894 2.319 . 0 0 "[ . 1 . 2]" 1
696 1 66 ALA MB 1 70 LEU MD1 . . 3.030 2.237 1.984 2.477 . 0 0 "[ . 1 . 2]" 1
697 1 76 ARG HA 1 82 THR HA . . 3.660 2.237 2.129 2.422 . 0 0 "[ . 1 . 2]" 1
698 1 30 GLN HB2 1 31 ASP H . . 4.310 3.325 2.999 3.648 . 0 0 "[ . 1 . 2]" 1
699 1 30 GLN HB3 1 31 ASP H . . 4.310 3.056 2.878 3.509 . 0 0 "[ . 1 . 2]" 1
700 1 37 ARG H 1 37 ARG HG2 . . 3.870 3.222 2.665 3.703 . 0 0 "[ . 1 . 2]" 1
701 1 93 ARG HA 1 93 ARG QG . . 3.330 2.312 2.010 3.328 . 0 0 "[ . 1 . 2]" 1
702 1 76 ARG HA 1 76 ARG HG2 . . 4.230 2.839 2.523 3.295 . 0 0 "[ . 1 . 2]" 1
703 1 76 ARG HA 1 76 ARG HG3 . . 4.230 2.781 2.353 3.330 . 0 0 "[ . 1 . 2]" 1
704 1 23 LEU HA 1 23 LEU HG . . 4.050 2.495 2.397 2.607 . 0 0 "[ . 1 . 2]" 1
705 1 32 LEU MD2 1 46 ASP H . . 4.030 3.218 2.926 3.479 . 0 0 "[ . 1 . 2]" 1
706 1 32 LEU MD2 1 53 GLY HA2 . . 3.970 3.919 3.794 3.979 0.009 19 0 "[ . 1 . 2]" 1
707 1 32 LEU HB3 1 32 LEU MD2 . . 3.290 2.284 2.112 2.371 . 0 0 "[ . 1 . 2]" 1
708 1 32 LEU HB2 1 32 LEU MD2 . . 2.890 2.404 2.333 2.546 . 0 0 "[ . 1 . 2]" 1
709 1 32 LEU MD2 1 55 VAL MG2 . . 3.080 2.035 1.830 2.229 . 0 0 "[ . 1 . 2]" 1
710 1 32 LEU H 1 32 LEU MD2 . . 4.390 4.172 4.070 4.242 . 0 0 "[ . 1 . 2]" 1
711 1 32 LEU MD2 1 53 GLY HA3 . . 3.740 2.664 2.525 2.795 . 0 0 "[ . 1 . 2]" 1
712 1 57 PHE QD 1 63 MET HA . . 3.530 2.173 2.002 2.345 . 0 0 "[ . 1 . 2]" 1
713 1 63 MET HA 1 63 MET HG2 . . 3.740 2.676 2.563 2.794 . 0 0 "[ . 1 . 2]" 1
714 1 63 MET HA 1 63 MET HG3 . . 3.980 2.896 2.839 3.034 . 0 0 "[ . 1 . 2]" 1
715 1 18 VAL MG1 1 63 MET HA . . 4.010 3.463 3.257 3.634 . 0 0 "[ . 1 . 2]" 1
716 1 18 VAL HA 1 18 VAL MG1 . . 3.210 2.224 2.140 2.278 . 0 0 "[ . 1 . 2]" 1
717 1 18 VAL HA 1 90 ASP H . . 3.640 2.035 1.899 2.229 . 0 0 "[ . 1 . 2]" 1
718 1 18 VAL HA 1 89 VAL HA . . 3.580 2.631 2.344 2.736 . 0 0 "[ . 1 . 2]" 1
719 1 18 VAL HA 1 18 VAL MG2 . . 3.490 3.175 3.162 3.186 . 0 0 "[ . 1 . 2]" 1
720 1 18 VAL HA 1 19 VAL MG2 . . 3.830 3.331 3.164 3.501 . 0 0 "[ . 1 . 2]" 1
721 1 67 VAL MG2 1 68 ARG HA . . 4.020 3.508 3.385 3.759 . 0 0 "[ . 1 . 2]" 1
722 1 68 ARG HA 1 68 ARG QD . . 4.260 4.066 4.044 4.136 . 0 0 "[ . 1 . 2]" 1
723 1 75 PHE H 1 84 TYR HA . . 4.140 2.832 2.681 2.991 . 0 0 "[ . 1 . 2]" 1
724 1 74 LYS HA 1 84 TYR HA . . 3.580 2.122 2.005 2.319 . 0 0 "[ . 1 . 2]" 1
725 1 38 GLU HA 1 38 GLU HG2 . . 3.880 3.036 2.040 3.828 . 0 0 "[ . 1 . 2]" 1
726 1 32 LEU HA 1 75 PHE QE . . 3.600 2.114 1.999 2.309 . 0 0 "[ . 1 . 2]" 1
727 1 49 ARG HA 1 49 ARG QG . . 3.520 2.463 2.092 3.395 . 0 0 "[ . 1 . 2]" 1
728 1 57 PHE HA 1 58 VAL H . . 3.510 2.146 2.138 2.164 . 0 0 "[ . 1 . 2]" 1
729 1 42 VAL HA 1 57 PHE HA . . 3.510 2.586 2.247 2.867 . 0 0 "[ . 1 . 2]" 1
730 1 57 PHE HA 1 57 PHE QD . . 3.810 2.628 2.416 2.784 . 0 0 "[ . 1 . 2]" 1
731 1 23 LEU MD1 1 53 GLY H . . 4.310 2.801 2.568 2.989 . 0 0 "[ . 1 . 2]" 1
732 1 23 LEU MD1 1 53 GLY HA3 . . 3.760 2.477 2.298 2.623 . 0 0 "[ . 1 . 2]" 1
733 1 23 LEU MD1 1 47 VAL HA . . 3.790 3.698 3.467 3.792 0.002 20 0 "[ . 1 . 2]" 1
734 1 23 LEU MD1 1 53 GLY HA2 . . 3.900 3.544 3.361 3.694 . 0 0 "[ . 1 . 2]" 1
735 1 23 LEU HB2 1 23 LEU MD1 . . 3.350 2.103 1.973 2.203 . 0 0 "[ . 1 . 2]" 1
736 1 23 LEU MD1 1 47 VAL MG1 . . 2.720 2.325 1.935 2.565 . 0 0 "[ . 1 . 2]" 1
737 1 23 LEU MD1 1 32 LEU MD2 . . 3.190 2.543 2.008 3.054 . 0 0 "[ . 1 . 2]" 1
738 1 34 ASP HA 1 37 ARG HB2 . . 4.040 3.242 2.676 4.034 . 0 0 "[ . 1 . 2]" 1
739 1 34 ASP HA 1 37 ARG HG2 . . 4.180 3.826 3.287 4.150 . 0 0 "[ . 1 . 2]" 1
740 1 33 LYS H 1 33 LYS QG . . 4.420 4.002 3.973 4.027 . 0 0 "[ . 1 . 2]" 1
741 1 33 LYS QG 1 42 VAL HB . . 3.440 2.405 1.986 2.835 . 0 0 "[ . 1 . 2]" 1
742 1 29 TRP HZ3 1 33 LYS HB2 . . 4.280 3.072 2.565 3.651 . 0 0 "[ . 1 . 2]" 1
743 1 31 ASP HA 1 34 ASP HB3 . . 3.830 3.333 2.793 3.828 . 0 0 "[ . 1 . 2]" 1
744 1 71 ASP HA 1 87 VAL HB . . 3.760 2.683 2.368 2.879 . 0 0 "[ . 1 . 2]" 1
745 1 74 LYS HA 1 74 LYS HG2 . . 4.060 3.171 2.538 3.757 . 0 0 "[ . 1 . 2]" 1
746 1 21 SER HA 1 52 THR HA . . 3.420 2.313 2.199 2.494 . 0 0 "[ . 1 . 2]" 1
747 1 21 SER HA 1 22 GLY H . . 3.480 2.394 2.274 2.492 . 0 0 "[ . 1 . 2]" 1
748 1 85 ILE HG13 1 85 ILE MG . . 3.400 3.077 3.024 3.121 . 0 0 "[ . 1 . 2]" 1
749 1 85 ILE HG13 1 87 VAL MG2 . . 3.850 3.721 3.583 3.842 . 0 0 "[ . 1 . 2]" 1
750 1 85 ILE HG12 1 85 ILE MG . . 3.410 2.169 2.128 2.209 . 0 0 "[ . 1 . 2]" 1
751 1 81 GLU HA 1 81 GLU HG3 . . 4.000 2.188 2.025 2.612 . 0 0 "[ . 1 . 2]" 1
752 1 74 LYS HA 1 75 PHE H . . 3.240 2.149 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
753 1 74 LYS HA 1 74 LYS HG3 . . 4.060 2.670 2.415 2.983 . 0 0 "[ . 1 . 2]" 1
754 1 69 LYS HA 1 69 LYS HG2 . . 3.580 2.390 2.342 2.407 . 0 0 "[ . 1 . 2]" 1
755 1 69 LYS HA 1 69 LYS HG3 . . 3.650 3.638 3.605 3.651 0.001 10 0 "[ . 1 . 2]" 1
756 1 62 ASP HA 1 65 TYR QB . . 3.250 2.479 2.361 2.641 . 0 0 "[ . 1 . 2]" 1
757 1 88 LYS H 1 88 LYS HG3 . . 4.190 3.819 2.558 4.152 . 0 0 "[ . 1 . 2]" 1
758 1 83 ALA H 1 83 ALA MB . . 3.200 2.810 2.722 2.892 . 0 0 "[ . 1 . 2]" 1
759 1 75 PHE QD 1 83 ALA MB . . 4.250 3.236 2.940 3.464 . 0 0 "[ . 1 . 2]" 1
760 1 24 PRO HD3 1 83 ALA MB . . 3.160 2.118 1.978 2.197 . 0 0 "[ . 1 . 2]" 1
761 1 24 PRO HD2 1 83 ALA MB . . 3.780 3.703 3.581 3.771 . 0 0 "[ . 1 . 2]" 1
762 1 75 PHE HB3 1 83 ALA MB . . 4.030 3.940 3.827 4.001 . 0 0 "[ . 1 . 2]" 1
763 1 24 PRO HB3 1 83 ALA MB . . 3.700 2.472 2.074 2.866 . 0 0 "[ . 1 . 2]" 1
764 1 24 PRO HG3 1 83 ALA MB . . 3.330 3.054 2.790 3.265 . 0 0 "[ . 1 . 2]" 1
765 1 83 ALA MB 1 85 ILE MG . . 3.680 3.172 2.990 3.344 . 0 0 "[ . 1 . 2]" 1
766 1 23 LEU MD2 1 83 ALA MB . . 4.760 4.477 4.306 4.704 . 0 0 "[ . 1 . 2]" 1
767 1 70 LEU HA 1 73 THR MG . . 3.000 2.212 2.049 2.407 . 0 0 "[ . 1 . 2]" 1
768 1 66 ALA HA 1 70 LEU H . . 4.120 2.476 2.386 2.585 . 0 0 "[ . 1 . 2]" 1
769 1 65 TYR QD 1 66 ALA HA . . 3.990 3.012 2.739 3.330 . 0 0 "[ . 1 . 2]" 1
770 1 66 ALA HA 1 70 LEU HG . . 3.430 2.381 2.294 2.441 . 0 0 "[ . 1 . 2]" 1
771 1 39 ALA MB 1 66 ALA HA . . 3.070 2.799 2.557 3.039 . 0 0 "[ . 1 . 2]" 1
772 1 66 ALA HA 1 70 LEU MD1 . . 3.570 2.579 2.282 2.877 . 0 0 "[ . 1 . 2]" 1
773 1 66 ALA HA 1 70 LEU MD2 . . 4.050 4.009 3.950 4.053 0.003 16 0 "[ . 1 . 2]" 1
774 1 17 ARG HA 1 56 GLU QG . . 4.020 2.277 2.002 2.575 . 0 0 "[ . 1 . 2]" 1
775 1 17 ARG HA 1 56 GLU HA . . 3.830 2.164 2.012 2.403 . 0 0 "[ . 1 . 2]" 1
776 1 35 HIS HD2 1 70 LEU MD2 . . 4.330 3.056 2.491 3.468 . 0 0 "[ . 1 . 2]" 1
777 1 65 TYR QE 1 70 LEU MD2 . . 4.440 3.699 3.473 4.162 . 0 0 "[ . 1 . 2]" 1
778 1 70 LEU HA 1 70 LEU MD2 . . 3.060 2.043 1.972 2.173 . 0 0 "[ . 1 . 2]" 1
779 1 32 LEU MD1 1 75 PHE QE . . 3.980 3.706 3.406 3.972 . 0 0 "[ . 1 . 2]" 1
780 1 23 LEU MD2 1 32 LEU MD1 . . 3.380 2.663 2.154 3.190 . 0 0 "[ . 1 . 2]" 1
781 1 32 LEU H 1 32 LEU MD1 . . 4.400 4.177 4.012 4.282 . 0 0 "[ . 1 . 2]" 1
782 1 32 LEU HA 1 32 LEU MD1 . . 3.130 2.210 2.023 2.460 . 0 0 "[ . 1 . 2]" 1
783 1 32 LEU HB3 1 32 LEU MD1 . . 3.670 3.182 3.172 3.190 . 0 0 "[ . 1 . 2]" 1
784 1 32 LEU MD1 1 36 MET ME . . 3.910 3.362 3.050 3.679 . 0 0 "[ . 1 . 2]" 1
785 1 20 VAL HB 1 32 LEU MD1 . . 3.910 3.549 3.268 3.795 . 0 0 "[ . 1 . 2]" 1
786 1 32 LEU MD1 1 85 ILE MD . . 3.300 2.736 2.494 2.920 . 0 0 "[ . 1 . 2]" 1
787 1 23 LEU MD1 1 32 LEU MD1 . . 3.360 3.045 2.720 3.359 . 0 0 "[ . 1 . 2]" 1
788 1 15 GLU HA 1 15 GLU HG2 . . 3.960 2.811 2.043 3.852 . 0 0 "[ . 1 . 2]" 1
789 1 58 VAL H 1 58 VAL MG1 . . 3.280 2.030 1.868 2.212 . 0 0 "[ . 1 . 2]" 1
790 1 58 VAL HA 1 58 VAL MG1 . . 3.310 3.166 3.153 3.181 . 0 0 "[ . 1 . 2]" 1
791 1 43 CYS HB2 1 58 VAL MG1 . . 3.370 3.292 3.167 3.365 . 0 0 "[ . 1 . 2]" 1
792 1 41 ASP QB 1 58 VAL MG1 . . 3.240 1.925 1.856 1.991 . 0 0 "[ . 1 . 2]" 1
793 1 23 LEU MD2 1 75 PHE QE . . 4.090 3.073 2.736 3.397 . 0 0 "[ . 1 . 2]" 1
794 1 23 LEU MD2 1 75 PHE QD . . 4.170 3.262 2.900 3.546 . 0 0 "[ . 1 . 2]" 1
795 1 23 LEU HA 1 23 LEU MD2 . . 3.190 2.519 2.399 2.686 . 0 0 "[ . 1 . 2]" 1
796 1 23 LEU MD2 1 24 PRO HD3 . . 3.210 3.133 3.010 3.211 0.001 9 0 "[ . 1 . 2]" 1
797 1 23 LEU MD2 1 24 PRO HD2 . . 3.700 2.009 1.952 2.140 . 0 0 "[ . 1 . 2]" 1
798 1 23 LEU HB2 1 23 LEU MD2 . . 3.590 3.114 3.069 3.139 . 0 0 "[ . 1 . 2]" 1
799 1 20 VAL MG1 1 23 LEU MD2 . . 3.410 3.097 2.903 3.377 . 0 0 "[ . 1 . 2]" 1
800 1 23 LEU MD2 1 32 LEU MD2 . . 4.060 3.011 2.671 3.569 . 0 0 "[ . 1 . 2]" 1
801 1 23 LEU MD2 1 85 ILE MG . . 3.250 2.445 2.221 2.764 . 0 0 "[ . 1 . 2]" 1
802 1 67 VAL H 1 67 VAL MG1 . . 3.030 2.396 2.239 2.525 . 0 0 "[ . 1 . 2]" 1
803 1 64 THR HA 1 67 VAL MG1 . . 3.580 3.506 3.387 3.572 . 0 0 "[ . 1 . 2]" 1
804 1 67 VAL MG1 1 87 VAL MG1 . . 2.710 2.146 1.945 2.365 . 0 0 "[ . 1 . 2]" 1
805 1 18 VAL MG1 1 88 LYS H . . 4.640 3.523 3.313 3.755 . 0 0 "[ . 1 . 2]" 1
806 1 18 VAL MG1 1 90 ASP H . . 3.930 2.930 2.728 3.306 . 0 0 "[ . 1 . 2]" 1
807 1 18 VAL MG1 1 57 PHE QE . . 3.910 2.900 2.561 3.412 . 0 0 "[ . 1 . 2]" 1
808 1 18 VAL MG1 1 63 MET HG2 . . 3.170 2.128 1.987 2.373 . 0 0 "[ . 1 . 2]" 1
809 1 18 VAL MG1 1 63 MET HG3 . . 2.940 2.261 2.043 2.506 . 0 0 "[ . 1 . 2]" 1
810 1 18 VAL MG1 1 63 MET HB2 . . 4.180 4.058 3.925 4.177 . 0 0 "[ . 1 . 2]" 1
811 1 55 VAL MG1 1 56 GLU H . . 3.640 2.025 1.876 2.201 . 0 0 "[ . 1 . 2]" 1
812 1 55 VAL H 1 55 VAL MG1 . . 4.290 3.906 3.862 3.958 . 0 0 "[ . 1 . 2]" 1
813 1 55 VAL MG1 1 57 PHE QE . . 3.400 3.260 2.916 3.372 . 0 0 "[ . 1 . 2]" 1
814 1 45 ALA HA 1 55 VAL MG1 . . 4.190 3.443 3.156 3.718 . 0 0 "[ . 1 . 2]" 1
815 1 55 VAL MG1 1 56 GLU HA . . 4.570 3.723 3.622 3.777 . 0 0 "[ . 1 . 2]" 1
816 1 36 MET HG2 1 55 VAL MG1 . . 4.350 3.949 3.024 4.337 . 0 0 "[ . 1 . 2]" 1
817 1 36 MET HG3 1 55 VAL MG1 . . 3.730 2.862 2.225 3.170 . 0 0 "[ . 1 . 2]" 1
818 1 36 MET HB2 1 55 VAL MG1 . . 3.650 2.993 2.721 3.261 . 0 0 "[ . 1 . 2]" 1
819 1 36 MET HB3 1 55 VAL MG1 . . 3.650 3.105 2.668 3.559 . 0 0 "[ . 1 . 2]" 1
820 1 32 LEU HG 1 55 VAL MG1 . . 4.090 4.027 3.846 4.094 0.004 1 0 "[ . 1 . 2]" 1
821 1 42 VAL MG1 1 55 VAL MG1 . . 2.710 2.211 1.993 2.600 . 0 0 "[ . 1 . 2]" 1
822 1 42 VAL MG2 1 55 VAL MG1 . . 3.060 2.372 2.041 2.746 . 0 0 "[ . 1 . 2]" 1
823 1 33 LYS HA 1 45 ALA MB . . 4.160 3.553 3.217 3.731 . 0 0 "[ . 1 . 2]" 1
824 1 29 TRP HB2 1 45 ALA MB . . 3.800 2.578 2.464 2.810 . 0 0 "[ . 1 . 2]" 1
825 1 45 ALA MB 1 46 ASP H . . 3.360 2.995 2.877 3.144 . 0 0 "[ . 1 . 2]" 1
826 1 29 TRP HE3 1 45 ALA MB . . 3.360 1.982 1.876 2.130 . 0 0 "[ . 1 . 2]" 1
827 1 32 LEU HB3 1 45 ALA MB . . 4.370 4.142 3.734 4.358 . 0 0 "[ . 1 . 2]" 1
828 1 33 LYS HB3 1 45 ALA MB . . 4.560 3.287 2.948 3.845 . 0 0 "[ . 1 . 2]" 1
829 1 33 LYS HB2 1 45 ALA MB . . 3.430 2.123 1.839 2.484 . 0 0 "[ . 1 . 2]" 1
830 1 42 VAL MG1 1 45 ALA MB . . 2.920 2.415 2.190 2.594 . 0 0 "[ . 1 . 2]" 1
831 1 45 ALA MB 1 55 VAL MG1 . . 3.640 3.339 3.163 3.546 . 0 0 "[ . 1 . 2]" 1
832 1 67 VAL MG1 1 88 LYS HA . . 3.750 2.058 1.924 2.239 . 0 0 "[ . 1 . 2]" 1
833 1 55 VAL MG2 1 56 GLU H . . 3.960 3.944 3.895 3.965 0.005 16 0 "[ . 1 . 2]" 1
834 1 46 ASP H 1 55 VAL MG2 . . 4.100 3.338 3.076 3.601 . 0 0 "[ . 1 . 2]" 1
835 1 57 PHE QE 1 87 VAL MG1 . . 3.820 3.389 3.249 3.657 . 0 0 "[ . 1 . 2]" 1
836 1 28 SER HA 1 47 VAL MG2 . . 3.820 2.034 1.971 2.273 . 0 0 "[ . 1 . 2]" 1
837 1 36 MET HG3 1 55 VAL MG2 . . 3.580 2.058 1.967 2.197 . 0 0 "[ . 1 . 2]" 1
838 1 36 MET ME 1 87 VAL MG1 . . 2.940 2.181 1.934 2.413 . 0 0 "[ . 1 . 2]" 1
839 1 44 TYR QE 1 46 ASP QB . . 3.630 2.532 2.005 2.932 . 0 0 "[ . 1 . 2]" 1
840 1 44 TYR QE 1 54 VAL MG2 . . 3.590 1.986 1.875 2.124 . 0 0 "[ . 1 . 2]" 1
841 1 56 GLU HA 1 56 GLU QG . . 3.510 2.173 2.039 2.339 . 0 0 "[ . 1 . 2]" 1
842 1 64 THR HA 1 64 THR MG . . 3.200 2.343 2.265 2.447 . 0 0 "[ . 1 . 2]" 1
843 1 63 MET ME 1 64 THR MG . . 3.920 3.643 3.288 3.857 . 0 0 "[ . 1 . 2]" 1
844 1 64 THR MG 1 68 ARG HG3 . . 3.780 3.134 2.895 3.326 . 0 0 "[ . 1 . 2]" 1
845 1 89 VAL MG1 1 90 ASP H . . 4.120 4.081 4.000 4.141 0.021 5 0 "[ . 1 . 2]" 1
846 1 88 LYS HA 1 89 VAL MG1 . . 3.980 3.898 3.798 3.988 0.008 5 0 "[ . 1 . 2]" 1
847 1 89 VAL HA 1 89 VAL MG1 . . 3.320 3.195 3.184 3.202 . 0 0 "[ . 1 . 2]" 1
848 1 63 MET HG2 1 89 VAL MG1 . . 5.500 5.392 5.129 5.498 . 0 0 "[ . 1 . 2]" 1
849 1 20 VAL H 1 20 VAL MG1 . . 4.380 3.920 3.866 3.950 . 0 0 "[ . 1 . 2]" 1
850 1 20 VAL MG1 1 53 GLY H . . 4.650 3.910 3.638 4.236 . 0 0 "[ . 1 . 2]" 1
851 1 20 VAL HA 1 20 VAL MG1 . . 3.270 2.231 2.138 2.357 . 0 0 "[ . 1 . 2]" 1
852 1 20 VAL MG1 1 23 LEU MD1 . . 2.880 2.342 2.160 2.502 . 0 0 "[ . 1 . 2]" 1
853 1 29 TRP HA 1 47 VAL MG2 . . 4.110 3.214 2.816 3.582 . 0 0 "[ . 1 . 2]" 1
854 1 29 TRP H 1 47 VAL MG2 . . 3.720 1.993 1.840 2.274 . 0 0 "[ . 1 . 2]" 1
855 1 48 TYR QE 1 54 VAL MG1 . . 3.520 2.213 2.018 2.636 . 0 0 "[ . 1 . 2]" 1
856 1 48 TYR QE 1 54 VAL MG2 . . 3.890 2.438 2.000 2.856 . 0 0 "[ . 1 . 2]" 1
857 1 74 LYS QE 1 84 TYR QE . . 4.200 3.114 2.239 4.009 . 0 0 "[ . 1 . 2]" 1
858 1 74 LYS HB3 1 84 TYR QE . . 4.380 4.026 3.725 4.358 . 0 0 "[ . 1 . 2]" 1
859 1 71 ASP HA 1 87 VAL MG2 . . 3.360 2.679 2.303 2.889 . 0 0 "[ . 1 . 2]" 1
860 1 71 ASP HB2 1 87 VAL MG2 . . 4.110 4.018 3.796 4.108 . 0 0 "[ . 1 . 2]" 1
861 1 86 ARG HA 1 87 VAL MG2 . . 3.460 3.335 3.255 3.456 . 0 0 "[ . 1 . 2]" 1
862 1 20 VAL MG1 1 85 ILE HB . . 3.160 2.262 2.057 2.357 . 0 0 "[ . 1 . 2]" 1
863 1 39 ALA HA 1 65 TYR QE . . 3.830 2.616 2.378 2.769 . 0 0 "[ . 1 . 2]" 1
864 1 46 ASP QB 1 48 TYR QE . . 4.340 4.077 3.621 4.327 . 0 0 "[ . 1 . 2]" 1
865 1 65 TYR QE 1 69 LYS HB3 . . 4.330 3.935 3.720 4.071 . 0 0 "[ . 1 . 2]" 1
866 1 65 TYR QE 1 69 LYS HD3 . . 5.010 4.669 4.507 4.802 . 0 0 "[ . 1 . 2]" 1
867 1 52 THR MG 1 53 GLY H . . 3.770 3.511 3.342 3.755 . 0 0 "[ . 1 . 2]" 1
868 1 22 GLY H 1 52 THR MG . . 4.030 3.258 2.985 3.510 . 0 0 "[ . 1 . 2]" 1
869 1 52 THR H 1 52 THR MG . . 3.750 3.141 2.958 3.338 . 0 0 "[ . 1 . 2]" 1
870 1 52 THR HA 1 52 THR MG . . 3.270 2.248 2.098 2.363 . 0 0 "[ . 1 . 2]" 1
871 1 21 SER HA 1 52 THR MG . . 3.350 2.231 1.970 2.499 . 0 0 "[ . 1 . 2]" 1
872 1 21 SER HB2 1 52 THR MG . . 3.610 2.990 2.725 3.310 . 0 0 "[ . 1 . 2]" 1
873 1 21 SER HB3 1 52 THR MG . . 3.610 2.885 2.335 3.266 . 0 0 "[ . 1 . 2]" 1
874 1 20 VAL MG2 1 21 SER H . . 4.570 4.109 3.990 4.205 . 0 0 "[ . 1 . 2]" 1
875 1 21 SER H 1 87 VAL MG2 . . 5.030 4.345 4.098 4.550 . 0 0 "[ . 1 . 2]" 1
876 1 20 VAL MG2 1 54 VAL H . . 4.420 4.051 3.372 4.419 . 0 0 "[ . 1 . 2]" 1
877 1 87 VAL MG2 1 88 LYS H . . 4.740 4.053 3.971 4.138 . 0 0 "[ . 1 . 2]" 1
878 1 20 VAL HA 1 20 VAL MG2 . . 3.220 2.533 2.472 2.591 . 0 0 "[ . 1 . 2]" 1
879 1 20 VAL MG2 1 23 LEU MD1 . . 3.530 3.459 3.316 3.526 . 0 0 "[ . 1 . 2]" 1
880 1 20 VAL MG2 1 23 LEU MD2 . . 4.640 4.474 4.362 4.627 . 0 0 "[ . 1 . 2]" 1
881 1 42 VAL MG2 1 43 CYS H . . 4.540 3.816 3.588 3.947 . 0 0 "[ . 1 . 2]" 1
882 1 42 VAL MG2 1 57 PHE QD . . 3.690 3.006 2.628 3.392 . 0 0 "[ . 1 . 2]" 1
883 1 42 VAL MG2 1 57 PHE QE . . 3.820 2.767 2.530 3.209 . 0 0 "[ . 1 . 2]" 1
884 1 41 ASP HA 1 42 VAL MG2 . . 4.140 3.707 3.574 3.874 . 0 0 "[ . 1 . 2]" 1
885 1 42 VAL HA 1 42 VAL MG2 . . 3.410 2.310 2.168 2.412 . 0 0 "[ . 1 . 2]" 1
886 1 36 MET HB2 1 42 VAL MG2 . . 3.660 2.630 2.201 3.006 . 0 0 "[ . 1 . 2]" 1
887 1 36 MET HB3 1 42 VAL MG2 . . 3.660 3.340 2.799 3.654 . 0 0 "[ . 1 . 2]" 1
888 1 33 LYS QG 1 42 VAL MG2 . . 3.780 1.965 1.822 2.251 . 0 0 "[ . 1 . 2]" 1
889 1 39 ALA MB 1 65 TYR QE . . 3.880 3.664 3.389 3.809 . 0 0 "[ . 1 . 2]" 1
890 1 65 TYR QE 1 69 LYS HB2 . . 3.990 3.159 2.939 3.351 . 0 0 "[ . 1 . 2]" 1
891 1 65 TYR QE 1 70 LEU MD1 . . 4.460 3.519 3.149 4.035 . 0 0 "[ . 1 . 2]" 1
892 1 65 TYR QE 1 69 LYS HG3 . . 4.130 2.640 2.276 2.891 . 0 0 "[ . 1 . 2]" 1
893 1 23 LEU HA 1 24 PRO HD2 . . 3.540 2.259 2.222 2.323 . 0 0 "[ . 1 . 2]" 1
894 1 23 LEU HA 1 83 ALA MB . . 4.130 3.449 3.305 3.677 . 0 0 "[ . 1 . 2]" 1
895 1 89 VAL H 1 89 VAL MG2 . . 3.990 3.768 3.760 3.775 . 0 0 "[ . 1 . 2]" 1
896 1 89 VAL MG2 1 90 ASP H . . 3.660 2.773 2.485 2.947 . 0 0 "[ . 1 . 2]" 1
897 1 20 VAL H 1 54 VAL MG1 . . 4.510 3.294 3.032 3.681 . 0 0 "[ . 1 . 2]" 1
898 1 54 VAL H 1 54 VAL MG1 . . 3.570 3.018 2.585 3.332 . 0 0 "[ . 1 . 2]" 1
899 1 44 TYR QE 1 54 VAL MG1 . . 4.310 4.168 3.890 4.303 . 0 0 "[ . 1 . 2]" 1
900 1 19 VAL HA 1 54 VAL MG1 . . 3.630 2.600 2.195 3.054 . 0 0 "[ . 1 . 2]" 1
901 1 17 ARG QD 1 54 VAL MG1 . . 3.640 3.296 2.795 3.634 . 0 0 "[ . 1 . 2]" 1
902 1 67 VAL MG2 1 89 VAL H . . 4.000 3.951 3.666 4.004 0.004 1 0 "[ . 1 . 2]" 1
903 1 58 VAL MG2 1 59 ARG HA . . 3.740 3.522 3.415 3.607 . 0 0 "[ . 1 . 2]" 1
904 1 65 TYR HA 1 67 VAL MG2 . . 4.530 3.969 3.823 4.131 . 0 0 "[ . 1 . 2]" 1
905 1 67 VAL HA 1 67 VAL MG2 . . 3.260 3.197 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
906 1 82 THR H 1 82 THR MG . . 3.400 3.154 2.960 3.397 . 0 0 "[ . 1 . 2]" 1
907 1 53 GLY HA3 1 54 VAL MG1 . . 4.660 4.445 4.098 4.641 . 0 0 "[ . 1 . 2]" 1
908 1 81 GLU HA 1 82 THR MG . . 4.850 3.949 3.706 4.295 . 0 0 "[ . 1 . 2]" 1
909 1 58 VAL H 1 58 VAL MG2 . . 4.430 3.752 3.726 3.784 . 0 0 "[ . 1 . 2]" 1
910 1 66 ALA H 1 67 VAL MG2 . . 4.770 3.805 3.684 4.003 . 0 0 "[ . 1 . 2]" 1
911 1 58 VAL MG2 1 59 ARG HG2 . . 3.890 2.793 2.008 3.795 . 0 0 "[ . 1 . 2]" 1
912 1 67 VAL MG2 1 68 ARG QB . . 4.230 3.550 3.443 3.641 . 0 0 "[ . 1 . 2]" 1
913 1 82 THR MG 1 83 ALA H . . 3.620 3.490 3.227 3.621 0.001 3 0 "[ . 1 . 2]" 1
914 1 82 THR HA 1 82 THR MG . . 3.350 2.193 2.054 2.321 . 0 0 "[ . 1 . 2]" 1
915 1 76 ARG HA 1 82 THR MG . . 3.460 2.590 2.145 2.935 . 0 0 "[ . 1 . 2]" 1
916 1 76 ARG QD 1 82 THR MG . . 4.280 3.356 2.207 4.262 . 0 0 "[ . 1 . 2]" 1
917 1 74 LYS QD 1 82 THR MG . . 3.400 2.618 1.929 3.407 0.007 8 0 "[ . 1 . 2]" 1
918 1 41 ASP QB 1 58 VAL MG2 . . 3.990 3.851 3.741 3.981 . 0 0 "[ . 1 . 2]" 1
919 1 58 VAL MG2 1 59 ARG HG3 . . 3.890 2.616 2.024 3.585 . 0 0 "[ . 1 . 2]" 1
920 1 29 TRP H 1 47 VAL MG1 . . 4.210 2.829 2.434 3.487 . 0 0 "[ . 1 . 2]" 1
921 1 47 VAL H 1 47 VAL MG1 . . 3.780 2.963 2.783 3.239 . 0 0 "[ . 1 . 2]" 1
922 1 29 TRP HB2 1 47 VAL MG1 . . 3.790 3.181 2.712 3.512 . 0 0 "[ . 1 . 2]" 1
923 1 29 TRP HB3 1 47 VAL MG1 . . 3.640 2.918 2.385 3.317 . 0 0 "[ . 1 . 2]" 1
924 1 32 LEU HB3 1 47 VAL MG1 . . 3.570 2.897 2.741 3.335 . 0 0 "[ . 1 . 2]" 1
925 1 32 LEU HB2 1 47 VAL MG1 . . 4.080 2.990 2.681 3.201 . 0 0 "[ . 1 . 2]" 1
926 1 28 SER HA 1 47 VAL MG1 . . 4.180 3.320 2.878 3.852 . 0 0 "[ . 1 . 2]" 1
927 1 32 LEU MD2 1 47 VAL MG1 . . 2.400 2.026 1.851 2.389 . 0 0 "[ . 1 . 2]" 1
928 1 19 VAL MG1 1 20 VAL H . . 3.260 2.118 1.906 2.335 . 0 0 "[ . 1 . 2]" 1
929 1 18 VAL H 1 18 VAL MG2 . . 2.970 2.020 1.867 2.162 . 0 0 "[ . 1 . 2]" 1
930 1 19 VAL H 1 19 VAL MG2 . . 2.950 2.413 2.049 2.671 . 0 0 "[ . 1 . 2]" 1
931 1 18 VAL MG2 1 88 LYS H . . 4.390 4.299 4.023 4.389 . 0 0 "[ . 1 . 2]" 1
932 1 19 VAL MG2 1 90 ASP H . . 4.060 3.636 2.795 3.898 . 0 0 "[ . 1 . 2]" 1
933 1 18 VAL MG2 1 57 PHE QE . . 3.220 2.039 1.848 2.449 . 0 0 "[ . 1 . 2]" 1
934 1 19 VAL MG1 1 20 VAL HA . . 4.110 3.714 3.554 4.098 . 0 0 "[ . 1 . 2]" 1
935 1 19 VAL MG1 1 54 VAL HA . . 4.550 3.963 3.703 4.190 . 0 0 "[ . 1 . 2]" 1
936 1 19 VAL HA 1 19 VAL MG1 . . 3.140 2.278 2.124 2.398 . 0 0 "[ . 1 . 2]" 1
937 1 19 VAL HA 1 19 VAL MG2 . . 3.410 2.451 2.361 2.593 . 0 0 "[ . 1 . 2]" 1
938 1 19 VAL MG2 1 90 ASP HB2 . . 3.130 2.612 1.895 2.782 . 0 0 "[ . 1 . 2]" 1
939 1 18 VAL MG2 1 55 VAL MG1 . . 3.880 3.271 3.086 3.432 . 0 0 "[ . 1 . 2]" 1
940 1 18 VAL MG2 1 89 VAL HA . . 4.440 4.366 4.277 4.450 0.010 12 0 "[ . 1 . 2]" 1
941 1 19 VAL MG2 1 90 ASP HB3 . . 4.160 4.047 3.239 4.156 . 0 0 "[ . 1 . 2]" 1
942 1 13 ARG HA 1 13 ARG QD . . 3.540 2.093 1.901 2.782 . 0 0 "[ . 1 . 2]" 1
943 1 45 ALA HA 1 54 VAL MG2 . . 4.410 4.213 3.972 4.404 . 0 0 "[ . 1 . 2]" 1
944 1 46 ASP QB 1 54 VAL MG2 . . 3.630 2.489 2.176 3.195 . 0 0 "[ . 1 . 2]" 1
945 1 39 ALA MB 1 40 GLY H . . 3.490 2.668 2.602 2.736 . 0 0 "[ . 1 . 2]" 1
946 1 39 ALA MB 1 65 TYR QD . . 2.930 2.173 1.971 2.482 . 0 0 "[ . 1 . 2]" 1
947 1 39 ALA MB 1 65 TYR QB . . 3.850 3.074 2.707 3.568 . 0 0 "[ . 1 . 2]" 1
948 1 39 ALA MB 1 70 LEU MD2 . . 4.490 4.255 4.028 4.424 . 0 0 "[ . 1 . 2]" 1
949 1 36 MET ME 1 39 ALA MB . . 4.640 3.795 3.460 4.079 . 0 0 "[ . 1 . 2]" 1
950 1 46 ASP H 1 54 VAL MG2 . . 3.640 3.338 2.884 3.602 . 0 0 "[ . 1 . 2]" 1
951 1 17 ARG QD 1 54 VAL MG2 . . 4.010 3.524 3.004 3.936 . 0 0 "[ . 1 . 2]" 1
952 1 17 ARG HG3 1 54 VAL MG2 . . 4.390 4.315 4.084 4.393 0.003 18 0 "[ . 1 . 2]" 1
953 1 72 ASN H 1 86 ARG HA . . 3.340 2.076 1.900 2.318 . 0 0 "[ . 1 . 2]" 1
954 1 57 PHE QE 1 66 ALA MB . . 3.130 2.461 2.258 2.626 . 0 0 "[ . 1 . 2]" 1
955 1 63 MET HA 1 66 ALA MB . . 3.630 2.772 2.623 2.909 . 0 0 "[ . 1 . 2]" 1
956 1 66 ALA MB 1 70 LEU HB2 . . 3.990 2.333 2.195 2.510 . 0 0 "[ . 1 . 2]" 1
957 1 39 ALA MB 1 66 ALA MB . . 2.400 1.918 1.766 2.091 . 0 0 "[ . 1 . 2]" 1
958 1 66 ALA MB 1 67 VAL MG1 . . 3.330 3.164 2.971 3.300 . 0 0 "[ . 1 . 2]" 1
959 1 66 ALA MB 1 87 VAL MG1 . . 3.330 2.799 2.592 3.034 . 0 0 "[ . 1 . 2]" 1
960 1 45 ALA HA 1 46 ASP H . . 3.260 2.188 2.148 2.228 . 0 0 "[ . 1 . 2]" 1
961 1 24 PRO HA 1 25 PRO HD2 . . 3.420 2.457 2.240 2.568 . 0 0 "[ . 1 . 2]" 1
962 1 24 PRO HB3 1 25 PRO HD2 . . 3.340 2.816 2.691 3.091 . 0 0 "[ . 1 . 2]" 1
963 1 24 PRO HB2 1 25 PRO HD2 . . 3.300 2.253 2.005 2.753 . 0 0 "[ . 1 . 2]" 1
964 1 9 PRO HA 1 10 PRO HD3 . . 3.550 2.287 2.263 2.363 . 0 0 "[ . 1 . 2]" 1
965 1 36 MET ME 1 57 PHE QE . . 3.310 3.091 2.868 3.257 . 0 0 "[ . 1 . 2]" 1
966 1 35 HIS HD2 1 36 MET ME . . 3.910 3.718 3.525 3.904 . 0 0 "[ . 1 . 2]" 1
967 1 36 MET HA 1 36 MET ME . . 3.650 2.573 2.082 3.028 . 0 0 "[ . 1 . 2]" 1
968 1 36 MET ME 1 36 MET HG2 . . 3.750 3.036 2.165 3.384 . 0 0 "[ . 1 . 2]" 1
969 1 36 MET ME 1 36 MET HG3 . . 3.600 2.640 2.262 3.365 . 0 0 "[ . 1 . 2]" 1
970 1 36 MET ME 1 66 ALA MB . . 3.110 2.257 2.043 2.411 . 0 0 "[ . 1 . 2]" 1
971 1 36 MET ME 1 85 ILE MD . . 3.450 3.313 2.975 3.454 0.004 15 0 "[ . 1 . 2]" 1
972 1 23 LEU HB3 1 24 PRO HD2 . . 3.890 2.533 2.357 2.622 . 0 0 "[ . 1 . 2]" 1
973 1 22 GLY HA3 1 85 ILE MG . . 4.210 3.439 3.232 3.616 . 0 0 "[ . 1 . 2]" 1
974 1 75 PHE H 1 85 ILE MG . . 4.390 3.480 3.228 3.734 . 0 0 "[ . 1 . 2]" 1
975 1 85 ILE H 1 85 ILE MG . . 3.580 2.824 2.695 3.027 . 0 0 "[ . 1 . 2]" 1
976 1 85 ILE HA 1 85 ILE MG . . 3.400 2.329 2.287 2.373 . 0 0 "[ . 1 . 2]" 1
977 1 23 LEU HA 1 85 ILE MG . . 3.690 2.304 2.046 2.557 . 0 0 "[ . 1 . 2]" 1
978 1 75 PHE HB3 1 85 ILE MG . . 3.670 2.273 2.088 2.474 . 0 0 "[ . 1 . 2]" 1
979 1 75 PHE HB2 1 85 ILE MG . . 3.580 3.158 2.992 3.348 . 0 0 "[ . 1 . 2]" 1
980 1 23 LEU HG 1 85 ILE MG . . 3.870 2.273 2.008 2.450 . 0 0 "[ . 1 . 2]" 1
981 1 20 VAL MG1 1 85 ILE MG . . 3.380 2.897 2.615 3.048 . 0 0 "[ . 1 . 2]" 1
982 1 91 GLY HA3 1 92 PRO QD . . 3.120 2.246 1.957 2.813 . 0 0 "[ . 1 . 2]" 1
983 1 84 TYR HA 1 85 ILE MG . . 4.060 3.797 3.712 3.885 . 0 0 "[ . 1 . 2]" 1
984 1 17 ARG H 1 63 MET ME . . 5.030 4.933 4.696 5.031 0.001 16 0 "[ . 1 . 2]" 1
985 1 63 MET H 1 63 MET ME . . 4.450 4.213 4.003 4.432 . 0 0 "[ . 1 . 2]" 1
986 1 16 ASN HA 1 63 MET ME . . 3.800 3.578 3.385 3.729 . 0 0 "[ . 1 . 2]" 1
987 1 63 MET ME 1 89 VAL HA . . 4.150 3.809 3.622 4.054 . 0 0 "[ . 1 . 2]" 1
988 1 63 MET ME 1 64 THR HA . . 3.590 2.656 2.391 2.870 . 0 0 "[ . 1 . 2]" 1
989 1 63 MET HA 1 63 MET ME . . 4.340 4.054 3.812 4.256 . 0 0 "[ . 1 . 2]" 1
990 1 60 LYS QE 1 63 MET ME . . 3.840 2.834 2.002 3.807 . 0 0 "[ . 1 . 2]" 1
991 1 60 LYS QG 1 63 MET ME . . 3.160 2.362 1.970 2.848 . 0 0 "[ . 1 . 2]" 1
992 1 63 MET ME 1 89 VAL MG2 . . 2.750 2.080 1.903 2.386 . 0 0 "[ . 1 . 2]" 1
993 1 18 VAL MG1 1 63 MET ME . . 3.660 3.360 3.039 3.565 . 0 0 "[ . 1 . 2]" 1
994 1 25 PRO HA 1 27 GLY H . . 4.710 4.129 3.827 4.692 . 0 0 "[ . 1 . 2]" 1
995 1 75 PHE QE 1 77 SER HB3 . . 4.670 2.681 2.297 3.738 . 0 0 "[ . 1 . 2]" 1
996 1 15 GLU HA 1 17 ARG H . . 4.950 4.319 3.540 4.951 0.001 16 0 "[ . 1 . 2]" 1
997 1 38 GLU HG2 1 70 LEU MD1 . . 5.310 4.014 1.850 4.766 . 0 0 "[ . 1 . 2]" 1
998 1 38 GLU HG3 1 70 LEU MD1 . . 5.310 4.296 3.123 5.158 . 0 0 "[ . 1 . 2]" 1
999 1 38 GLU HG2 1 65 TYR QE . . 5.500 4.902 3.530 5.394 . 0 0 "[ . 1 . 2]" 1
1000 1 38 GLU HG3 1 65 TYR QE . . 5.500 4.960 2.435 5.504 0.004 6 0 "[ . 1 . 2]" 1
1001 1 38 GLU HG2 1 39 ALA H . . 5.500 4.716 2.172 5.481 . 0 0 "[ . 1 . 2]" 1
1002 1 38 GLU HG3 1 39 ALA H . . 5.500 4.797 2.875 5.444 . 0 0 "[ . 1 . 2]" 1
1003 1 15 GLU H 1 15 GLU HG3 . . 4.310 3.496 2.424 4.314 0.004 17 0 "[ . 1 . 2]" 1
1004 1 16 ASN HA 1 60 LYS HA . . 5.160 3.784 3.353 4.171 . 0 0 "[ . 1 . 2]" 1
1005 1 16 ASN HA 1 60 LYS QD . . 5.450 4.019 2.647 5.442 . 0 0 "[ . 1 . 2]" 1
1006 1 16 ASN HB2 1 63 MET HB2 . . 4.540 3.979 3.123 4.474 . 0 0 "[ . 1 . 2]" 1
1007 1 16 ASN HB2 1 56 GLU QG . . 5.330 3.049 2.428 3.742 . 0 0 "[ . 1 . 2]" 1
1008 1 16 ASN HB3 1 63 MET HB2 . . 4.540 3.138 2.563 3.780 . 0 0 "[ . 1 . 2]" 1
1009 1 16 ASN HB3 1 56 GLU QG . . 5.330 4.426 3.925 5.072 . 0 0 "[ . 1 . 2]" 1
1010 1 16 ASN HB3 1 57 PHE H . . 4.690 4.085 3.497 4.670 . 0 0 "[ . 1 . 2]" 1
1011 1 17 ARG HA 1 18 VAL MG2 . . 4.180 3.471 3.331 3.558 . 0 0 "[ . 1 . 2]" 1
1012 1 17 ARG HA 1 18 VAL MG1 . . 4.370 4.060 3.819 4.258 . 0 0 "[ . 1 . 2]" 1
1013 1 17 ARG HA 1 17 ARG HG2 . . 4.110 2.948 2.756 3.357 . 0 0 "[ . 1 . 2]" 1
1014 1 17 ARG HA 1 55 VAL H . . 5.100 4.700 4.543 4.881 . 0 0 "[ . 1 . 2]" 1
1015 1 17 ARG HB2 1 56 GLU QG . . 4.120 2.130 1.985 2.408 . 0 0 "[ . 1 . 2]" 1
1016 1 15 GLU H 1 17 ARG HB2 . . 5.140 4.356 3.474 4.869 . 0 0 "[ . 1 . 2]" 1
1017 1 17 ARG HB3 1 56 GLU QG . . 4.120 3.631 3.396 3.855 . 0 0 "[ . 1 . 2]" 1
1018 1 17 ARG HB3 1 90 ASP HB2 . . 4.950 3.261 3.049 3.505 . 0 0 "[ . 1 . 2]" 1
1019 1 15 GLU H 1 17 ARG HB3 . . 5.140 4.685 4.054 5.127 . 0 0 "[ . 1 . 2]" 1
1020 1 17 ARG HG3 1 54 VAL MG1 . . 4.870 4.576 4.216 4.860 . 0 0 "[ . 1 . 2]" 1
1021 1 17 ARG HG2 1 56 GLU QG . . 4.250 4.081 3.663 4.254 0.004 15 0 "[ . 1 . 2]" 1
1022 1 17 ARG HG2 1 90 ASP HB2 . . 4.790 3.196 2.558 3.492 . 0 0 "[ . 1 . 2]" 1
1023 1 17 ARG H 1 17 ARG HG2 . . 5.170 4.476 4.290 4.614 . 0 0 "[ . 1 . 2]" 1
1024 1 17 ARG HG2 1 55 VAL H . . 4.630 3.908 3.255 4.454 . 0 0 "[ . 1 . 2]" 1
1025 1 17 ARG HG3 1 55 VAL H . . 4.870 4.051 3.396 4.448 . 0 0 "[ . 1 . 2]" 1
1026 1 17 ARG HG2 1 19 VAL HA . . 5.490 4.788 4.575 4.933 . 0 0 "[ . 1 . 2]" 1
1027 1 17 ARG HG2 1 56 GLU HA . . 5.500 4.526 4.059 5.085 . 0 0 "[ . 1 . 2]" 1
1028 1 18 VAL HA 1 89 VAL MG2 . . 4.280 4.061 3.899 4.187 . 0 0 "[ . 1 . 2]" 1
1029 1 18 VAL HA 1 90 ASP HB2 . . 4.040 3.086 2.729 3.480 . 0 0 "[ . 1 . 2]" 1
1030 1 18 VAL HA 1 89 VAL H . . 5.500 4.842 4.550 4.953 . 0 0 "[ . 1 . 2]" 1
1031 1 18 VAL HB 1 89 VAL HA . . 4.910 3.824 3.553 4.080 . 0 0 "[ . 1 . 2]" 1
1032 1 18 VAL HB 1 57 PHE QE . . 4.790 4.252 4.001 4.686 . 0 0 "[ . 1 . 2]" 1
1033 1 18 VAL HB 1 90 ASP H . . 5.100 4.406 4.108 4.623 . 0 0 "[ . 1 . 2]" 1
1034 1 19 VAL HA 1 20 VAL HB . . 4.840 4.796 4.729 4.839 . 0 0 "[ . 1 . 2]" 1
1035 1 19 VAL HA 1 88 LYS H . . 5.100 4.913 4.795 5.011 . 0 0 "[ . 1 . 2]" 1
1036 1 19 VAL HB 1 90 ASP HA . . 4.670 4.488 3.758 4.681 0.011 19 0 "[ . 1 . 2]" 1
1037 1 19 VAL HB 1 88 LYS H . . 4.660 3.902 3.731 4.182 . 0 0 "[ . 1 . 2]" 1
1038 1 20 VAL HB 1 23 LEU MD2 . . 5.040 4.354 4.133 4.521 . 0 0 "[ . 1 . 2]" 1
1039 1 20 VAL HB 1 32 LEU MD2 . . 4.130 3.262 3.048 3.486 . 0 0 "[ . 1 . 2]" 1
1040 1 20 VAL HB 1 53 GLY HA2 . . 4.840 4.224 4.008 4.424 . 0 0 "[ . 1 . 2]" 1
1041 1 20 VAL HB 1 53 GLY HA3 . . 4.800 2.950 2.614 3.247 . 0 0 "[ . 1 . 2]" 1
1042 1 20 VAL HB 1 21 SER H . . 3.990 3.811 3.536 3.984 . 0 0 "[ . 1 . 2]" 1
1043 1 21 SER HA 1 23 LEU MD1 . . 4.990 3.575 3.330 3.875 . 0 0 "[ . 1 . 2]" 1
1044 1 20 VAL MG1 1 21 SER HA . . 4.500 3.734 3.464 3.896 . 0 0 "[ . 1 . 2]" 1
1045 1 19 VAL MG1 1 21 SER HA . . 5.220 4.600 4.457 4.856 . 0 0 "[ . 1 . 2]" 1
1046 1 21 SER HA 1 23 LEU HG . . 5.500 4.517 4.261 4.704 . 0 0 "[ . 1 . 2]" 1
1047 1 21 SER HA 1 52 THR HB . . 4.100 3.908 3.679 4.098 . 0 0 "[ . 1 . 2]" 1
1048 1 21 SER HA 1 53 GLY H . . 4.390 3.766 3.581 3.912 . 0 0 "[ . 1 . 2]" 1
1049 1 22 GLY HA3 1 85 ILE HA . . 4.330 2.908 2.629 3.115 . 0 0 "[ . 1 . 2]" 1
1050 1 22 GLY HA2 1 85 ILE HA . . 4.760 4.591 4.314 4.758 . 0 0 "[ . 1 . 2]" 1
1051 1 21 SER HA 1 22 GLY HA2 . . 4.870 4.580 4.514 4.628 . 0 0 "[ . 1 . 2]" 1
1052 1 22 GLY HA2 1 85 ILE MG . . 4.810 4.377 4.130 4.569 . 0 0 "[ . 1 . 2]" 1
1053 1 23 LEU HA 1 24 PRO HG3 . . 4.710 4.396 4.378 4.428 . 0 0 "[ . 1 . 2]" 1
1054 1 23 LEU HA 1 24 PRO HG2 . . 5.070 4.399 4.368 4.450 . 0 0 "[ . 1 . 2]" 1
1055 1 23 LEU HA 1 85 ILE HB . . 5.500 4.681 4.385 5.076 . 0 0 "[ . 1 . 2]" 1
1056 1 23 LEU HA 1 75 PHE QD . . 5.220 4.085 3.717 4.651 . 0 0 "[ . 1 . 2]" 1
1057 1 23 LEU HB2 1 24 PRO HD2 . . 4.690 3.972 3.861 4.033 . 0 0 "[ . 1 . 2]" 1
1058 1 22 GLY H 1 23 LEU HB2 . . 5.260 4.379 4.169 4.561 . 0 0 "[ . 1 . 2]" 1
1059 1 23 LEU HB2 1 51 GLY H . . 5.500 4.311 4.112 4.575 . 0 0 "[ . 1 . 2]" 1
1060 1 23 LEU HG 1 24 PRO HD2 . . 5.130 3.736 3.562 3.977 . 0 0 "[ . 1 . 2]" 1
1061 1 22 GLY H 1 23 LEU HG . . 5.270 4.996 4.737 5.238 . 0 0 "[ . 1 . 2]" 1
1062 1 23 LEU MD1 1 47 VAL HB . . 4.520 3.124 2.855 3.517 . 0 0 "[ . 1 . 2]" 1
1063 1 23 LEU MD1 1 24 PRO HD2 . . 4.870 4.270 4.164 4.370 . 0 0 "[ . 1 . 2]" 1
1064 1 23 LEU HA 1 23 LEU MD1 . . 4.420 3.790 3.734 3.843 . 0 0 "[ . 1 . 2]" 1
1065 1 22 GLY H 1 23 LEU MD1 . . 5.080 4.647 4.327 4.981 . 0 0 "[ . 1 . 2]" 1
1066 1 23 LEU MD1 1 51 GLY H . . 5.500 4.867 4.457 5.236 . 0 0 "[ . 1 . 2]" 1
1067 1 23 LEU MD1 1 54 VAL H . . 5.050 4.749 4.300 5.032 . 0 0 "[ . 1 . 2]" 1
1068 1 23 LEU MD2 1 75 PHE HZ . . 4.470 3.703 3.386 4.022 . 0 0 "[ . 1 . 2]" 1
1069 1 23 LEU MD2 1 32 LEU H . . 4.950 4.404 4.141 4.666 . 0 0 "[ . 1 . 2]" 1
1070 1 23 LEU MD2 1 53 GLY HA3 . . 4.610 4.348 4.042 4.501 . 0 0 "[ . 1 . 2]" 1
1071 1 23 LEU MD2 1 32 LEU HA . . 4.410 3.779 3.602 4.127 . 0 0 "[ . 1 . 2]" 1
1072 1 23 LEU MD2 1 24 PRO HG2 . . 4.920 3.637 3.463 3.834 . 0 0 "[ . 1 . 2]" 1
1073 1 21 SER HB3 1 52 THR HA . . 4.720 4.351 4.052 4.629 . 0 0 "[ . 1 . 2]" 1
1074 1 21 SER HB2 1 52 THR HA . . 4.720 4.513 4.248 4.722 0.002 5 0 "[ . 1 . 2]" 1
1075 1 28 SER HA 1 47 VAL HB . . 5.020 4.237 3.915 4.499 . 0 0 "[ . 1 . 2]" 1
1076 1 47 VAL HB 1 48 TYR HA . . 5.500 4.638 4.263 4.823 . 0 0 "[ . 1 . 2]" 1
1077 1 48 TYR HA 1 49 ARG QG . . 5.230 4.326 3.533 5.228 . 0 0 "[ . 1 . 2]" 1
1078 1 48 TYR HA 1 48 TYR QE . . 4.850 4.769 4.557 4.849 . 0 0 "[ . 1 . 2]" 1
1079 1 29 TRP HA 1 32 LEU HG . . 4.570 4.280 3.994 4.550 . 0 0 "[ . 1 . 2]" 1
1080 1 29 TRP HA 1 32 LEU MD2 . . 3.440 2.945 2.589 3.181 . 0 0 "[ . 1 . 2]" 1
1081 1 28 SER HA 1 29 TRP HA . . 5.010 4.294 4.290 4.304 . 0 0 "[ . 1 . 2]" 1
1082 1 29 TRP HA 1 32 LEU H . . 4.000 3.233 3.033 3.406 . 0 0 "[ . 1 . 2]" 1
1083 1 29 TRP HZ3 1 30 GLN HA . . 4.610 3.041 2.789 3.340 . 0 0 "[ . 1 . 2]" 1
1084 1 30 GLN HA 1 34 ASP H . . 5.060 4.649 4.366 4.973 . 0 0 "[ . 1 . 2]" 1
1085 1 30 GLN HA 1 33 LYS QE . . 5.500 5.195 4.691 5.516 0.016 19 0 "[ . 1 . 2]" 1
1086 1 29 TRP HH2 1 30 GLN HG2 . . 4.460 3.629 3.060 4.339 . 0 0 "[ . 1 . 2]" 1
1087 1 29 TRP HH2 1 30 GLN HG3 . . 4.460 3.511 2.846 4.446 . 0 0 "[ . 1 . 2]" 1
1088 1 31 ASP HA 1 75 PHE QE . . 5.380 4.228 3.855 4.475 . 0 0 "[ . 1 . 2]" 1
1089 1 31 ASP HA 1 75 PHE HZ . . 5.050 4.561 4.092 4.807 . 0 0 "[ . 1 . 2]" 1
1090 1 31 ASP HA 1 35 HIS H . . 5.120 4.698 4.385 4.949 . 0 0 "[ . 1 . 2]" 1
1091 1 28 SER H 1 31 ASP HA . . 5.500 5.349 5.082 5.500 . 15 0 "[ . 1 . 2]" 1
1092 1 31 ASP HB2 1 75 PHE HZ . . 3.890 2.825 2.000 3.703 . 0 0 "[ . 1 . 2]" 1
1093 1 32 LEU HA 1 32 LEU MD2 . . 4.240 3.962 3.867 4.028 . 0 0 "[ . 1 . 2]" 1
1094 1 32 LEU HA 1 32 LEU HG . . 3.830 3.355 3.270 3.451 . 0 0 "[ . 1 . 2]" 1
1095 1 32 LEU HA 1 75 PHE HZ . . 4.800 3.562 3.056 4.149 . 0 0 "[ . 1 . 2]" 1
1096 1 23 LEU MD1 1 32 LEU HB2 . . 5.150 3.649 3.218 4.104 . 0 0 "[ . 1 . 2]" 1
1097 1 32 LEU H 1 32 LEU HG . . 5.010 4.322 4.167 4.472 . 0 0 "[ . 1 . 2]" 1
1098 1 32 LEU HG 1 33 LYS H . . 4.760 2.957 2.471 3.415 . 0 0 "[ . 1 . 2]" 1
1099 1 20 VAL H 1 32 LEU MD2 . . 5.500 5.003 4.723 5.220 . 0 0 "[ . 1 . 2]" 1
1100 1 32 LEU MD2 1 53 GLY H . . 5.500 4.556 4.389 4.836 . 0 0 "[ . 1 . 2]" 1
1101 1 32 LEU MD2 1 75 PHE QE . . 5.500 5.283 5.156 5.386 . 0 0 "[ . 1 . 2]" 1
1102 1 32 LEU MD2 1 46 ASP HA . . 5.500 4.745 4.517 4.957 . 0 0 "[ . 1 . 2]" 1
1103 1 32 LEU MD2 1 55 VAL HA . . 5.500 4.402 4.026 4.697 . 0 0 "[ . 1 . 2]" 1
1104 1 29 TRP HB2 1 32 LEU MD2 . . 5.100 3.812 3.487 4.114 . 0 0 "[ . 1 . 2]" 1
1105 1 32 LEU MD1 1 36 MET H . . 4.860 3.974 3.647 4.194 . 0 0 "[ . 1 . 2]" 1
1106 1 33 LYS HA 1 55 VAL MG1 . . 4.640 3.279 3.097 3.437 . 0 0 "[ . 1 . 2]" 1
1107 1 33 LYS HA 1 55 VAL MG2 . . 3.670 3.390 3.119 3.656 . 0 0 "[ . 1 . 2]" 1
1108 1 33 LYS HA 1 36 MET H . . 4.540 3.205 3.017 3.513 . 0 0 "[ . 1 . 2]" 1
1109 1 33 LYS HA 1 35 HIS H . . 5.000 4.103 3.694 4.628 . 0 0 "[ . 1 . 2]" 1
1110 1 33 LYS HA 1 37 ARG H . . 5.310 4.280 4.035 4.489 . 0 0 "[ . 1 . 2]" 1
1111 1 33 LYS HB2 1 33 LYS QE . . 4.580 4.033 3.468 4.529 . 0 0 "[ . 1 . 2]" 1
1112 1 33 LYS QG 1 37 ARG QD . . 4.260 3.700 3.057 4.135 . 0 0 "[ . 1 . 2]" 1
1113 1 33 LYS QG 1 55 VAL MG1 . . 5.500 3.870 3.434 4.210 . 0 0 "[ . 1 . 2]" 1
1114 1 29 TRP HE3 1 33 LYS QG . . 5.080 4.048 3.693 4.469 . 0 0 "[ . 1 . 2]" 1
1115 1 33 LYS QG 1 34 ASP H . . 4.340 3.625 3.375 3.785 . 0 0 "[ . 1 . 2]" 1
1116 1 33 LYS QG 1 42 VAL H . . 4.900 4.315 3.849 4.788 . 0 0 "[ . 1 . 2]" 1
1117 1 30 GLN HA 1 33 LYS HD2 . . 5.500 4.197 3.458 5.131 . 0 0 "[ . 1 . 2]" 1
1118 1 33 LYS HD2 1 37 ARG QD . . 5.500 4.726 4.239 5.487 . 0 0 "[ . 1 . 2]" 1
1119 1 30 GLN HA 1 33 LYS HD3 . . 5.500 4.528 3.422 5.481 . 0 0 "[ . 1 . 2]" 1
1120 1 33 LYS HD3 1 37 ARG QD . . 5.500 3.766 2.582 4.934 . 0 0 "[ . 1 . 2]" 1
1121 1 33 LYS HD2 1 42 VAL MG1 . . 4.900 3.978 2.855 4.715 . 0 0 "[ . 1 . 2]" 1
1122 1 33 LYS HD2 1 42 VAL MG2 . . 5.250 4.318 3.709 4.671 . 0 0 "[ . 1 . 2]" 1
1123 1 33 LYS HD3 1 42 VAL MG1 . . 4.900 4.585 3.977 4.895 . 0 0 "[ . 1 . 2]" 1
1124 1 33 LYS HD3 1 42 VAL MG2 . . 5.250 4.160 3.783 4.814 . 0 0 "[ . 1 . 2]" 1
1125 1 33 LYS QG 1 34 ASP HA . . 4.430 3.637 3.495 3.780 . 0 0 "[ . 1 . 2]" 1
1126 1 34 ASP HA 1 37 ARG HG3 . . 4.180 2.154 2.002 2.431 . 0 0 "[ . 1 . 2]" 1
1127 1 36 MET HA 1 39 ALA H . . 5.340 3.800 3.580 4.016 . 0 0 "[ . 1 . 2]" 1
1128 1 36 MET HB3 1 57 PHE QE . . 4.080 2.414 2.025 2.879 . 0 0 "[ . 1 . 2]" 1
1129 1 32 LEU MD2 1 36 MET HG2 . . 5.160 4.309 3.979 4.760 . 0 0 "[ . 1 . 2]" 1
1130 1 36 MET HG2 1 42 VAL MG2 . . 5.500 4.473 3.729 5.216 . 0 0 "[ . 1 . 2]" 1
1131 1 32 LEU HB2 1 36 MET HG2 . . 5.500 5.216 4.921 5.500 0.000 1 0 "[ . 1 . 2]" 1
1132 1 36 MET HG2 1 70 LEU MD1 . . 5.500 4.537 3.830 5.103 . 0 0 "[ . 1 . 2]" 1
1133 1 32 LEU HG 1 36 MET HG2 . . 5.080 3.098 2.553 3.935 . 0 0 "[ . 1 . 2]" 1
1134 1 36 MET HG3 1 45 ALA MB . . 5.500 5.175 4.794 5.473 . 0 0 "[ . 1 . 2]" 1
1135 1 36 MET HG3 1 70 LEU MD1 . . 5.500 4.919 4.546 5.265 . 0 0 "[ . 1 . 2]" 1
1136 1 32 LEU HG 1 36 MET HG3 . . 5.010 2.959 2.351 3.669 . 0 0 "[ . 1 . 2]" 1
1137 1 32 LEU MD2 1 36 MET HG3 . . 4.690 3.790 3.468 4.330 . 0 0 "[ . 1 . 2]" 1
1138 1 36 MET HG3 1 57 PHE QE . . 4.750 4.420 3.988 4.753 0.003 12 0 "[ . 1 . 2]" 1
1139 1 35 HIS H 1 36 MET HG3 . . 5.500 5.368 5.023 5.487 . 0 0 "[ . 1 . 2]" 1
1140 1 36 MET HG3 1 37 ARG H . . 5.500 5.238 4.936 5.438 . 0 0 "[ . 1 . 2]" 1
1141 1 37 ARG HA 1 42 VAL MG2 . . 4.310 2.835 2.608 3.060 . 0 0 "[ . 1 . 2]" 1
1142 1 37 ARG HB2 1 42 VAL MG2 . . 4.860 4.583 4.183 4.857 . 0 0 "[ . 1 . 2]" 1
1143 1 37 ARG HB3 1 42 VAL MG2 . . 4.940 4.568 4.207 4.940 . 6 0 "[ . 1 . 2]" 1
1144 1 37 ARG QD 1 42 VAL MG2 . . 5.080 4.053 3.343 4.637 . 0 0 "[ . 1 . 2]" 1
1145 1 37 ARG H 1 37 ARG QD . . 4.880 4.329 4.177 4.503 . 0 0 "[ . 1 . 2]" 1
1146 1 34 ASP H 1 37 ARG QD . . 5.500 5.326 4.737 5.510 0.010 19 0 "[ . 1 . 2]" 1
1147 1 37 ARG QD 1 42 VAL H . . 5.500 4.666 3.926 5.435 . 0 0 "[ . 1 . 2]" 1
1148 1 38 GLU HA 1 40 GLY H . . 4.980 4.413 4.197 4.565 . 0 0 "[ . 1 . 2]" 1
1149 1 86 ARG HB2 1 87 VAL H . . 4.510 4.287 3.930 4.489 . 0 0 "[ . 1 . 2]" 1
1150 1 86 ARG HB3 1 87 VAL H . . 4.510 3.589 2.621 4.167 . 0 0 "[ . 1 . 2]" 1
1151 1 21 SER H 1 86 ARG HB2 . . 4.570 4.219 3.216 4.569 . 0 0 "[ . 1 . 2]" 1
1152 1 39 ALA HA 1 65 TYR QB . . 4.540 3.693 3.568 3.915 . 0 0 "[ . 1 . 2]" 1
1153 1 36 MET HA 1 39 ALA MB . . 4.220 3.806 3.549 4.159 . 0 0 "[ . 1 . 2]" 1
1154 1 41 ASP HA 1 42 VAL HA . . 5.150 4.373 4.360 4.423 . 0 0 "[ . 1 . 2]" 1
1155 1 41 ASP QB 1 42 VAL MG1 . . 5.500 5.406 5.338 5.501 0.001 6 0 "[ . 1 . 2]" 1
1156 1 41 ASP HA 1 42 VAL HB . . 4.620 4.532 4.370 4.623 0.003 12 0 "[ . 1 . 2]" 1
1157 1 42 VAL HB 1 55 VAL MG1 . . 5.010 4.383 4.120 4.740 . 0 0 "[ . 1 . 2]" 1
1158 1 36 MET HG3 1 42 VAL MG2 . . 4.820 4.114 3.634 4.526 . 0 0 "[ . 1 . 2]" 1
1159 1 41 ASP QB 1 42 VAL MG2 . . 5.500 4.694 4.563 4.898 . 0 0 "[ . 1 . 2]" 1
1160 1 42 VAL MG1 1 43 CYS HA . . 5.220 3.577 3.380 3.800 . 0 0 "[ . 1 . 2]" 1
1161 1 43 CYS HB2 1 44 TYR H . . 5.150 4.216 4.110 4.294 . 0 0 "[ . 1 . 2]" 1
1162 1 44 TYR HA 1 44 TYR QE . . 4.820 4.650 4.554 4.814 . 0 0 "[ . 1 . 2]" 1
1163 1 17 ARG QD 1 44 TYR QE . . 5.060 3.760 2.533 4.936 . 0 0 "[ . 1 . 2]" 1
1164 1 44 TYR HB2 1 56 GLU H . . 5.290 4.569 4.196 4.852 . 0 0 "[ . 1 . 2]" 1
1165 1 44 TYR HB2 1 56 GLU HB2 . . 4.120 3.721 3.463 4.029 . 0 0 "[ . 1 . 2]" 1
1166 1 17 ARG QD 1 56 GLU QG . . 4.550 4.060 3.066 4.540 . 0 0 "[ . 1 . 2]" 1
1167 1 44 TYR HB2 1 56 GLU HB3 . . 4.120 3.526 3.229 4.117 . 0 0 "[ . 1 . 2]" 1
1168 1 44 TYR HB3 1 45 ALA H . . 5.030 4.200 4.075 4.335 . 0 0 "[ . 1 . 2]" 1
1169 1 45 ALA HA 1 56 GLU H . . 4.660 3.980 3.784 4.247 . 0 0 "[ . 1 . 2]" 1
1170 1 44 TYR QE 1 45 ALA HA . . 5.500 4.664 4.471 4.909 . 0 0 "[ . 1 . 2]" 1
1171 1 45 ALA HA 1 55 VAL HA . . 3.490 2.717 2.570 2.891 . 0 0 "[ . 1 . 2]" 1
1172 1 32 LEU MD2 1 45 ALA HA . . 4.750 3.974 3.368 4.432 . 0 0 "[ . 1 . 2]" 1
1173 1 42 VAL MG1 1 45 ALA HA . . 4.970 3.757 3.569 3.964 . 0 0 "[ . 1 . 2]" 1
1174 1 45 ALA MB 1 56 GLU H . . 4.870 4.596 4.431 4.770 . 0 0 "[ . 1 . 2]" 1
1175 1 44 TYR H 1 45 ALA MB . . 4.820 4.310 4.156 4.483 . 0 0 "[ . 1 . 2]" 1
1176 1 44 TYR QD 1 45 ALA MB . . 5.270 4.455 4.169 4.792 . 0 0 "[ . 1 . 2]" 1
1177 1 29 TRP HZ3 1 45 ALA MB . . 4.870 3.054 2.835 3.143 . 0 0 "[ . 1 . 2]" 1
1178 1 45 ALA MB 1 46 ASP HA . . 4.320 3.885 3.836 3.960 . 0 0 "[ . 1 . 2]" 1
1179 1 45 ALA MB 1 55 VAL HA . . 4.720 3.950 3.797 4.178 . 0 0 "[ . 1 . 2]" 1
1180 1 44 TYR HA 1 45 ALA MB . . 4.610 3.858 3.817 3.914 . 0 0 "[ . 1 . 2]" 1
1181 1 29 TRP HA 1 45 ALA MB . . 4.470 3.775 3.622 3.901 . 0 0 "[ . 1 . 2]" 1
1182 1 45 ALA MB 1 46 ASP QB . . 4.990 4.375 4.302 4.461 . 0 0 "[ . 1 . 2]" 1
1183 1 46 ASP HA 1 47 VAL MG2 . . 5.500 3.582 3.249 3.852 . 0 0 "[ . 1 . 2]" 1
1184 1 44 TYR QD 1 46 ASP QB . . 4.800 3.972 3.694 4.171 . 0 0 "[ . 1 . 2]" 1
1185 1 32 LEU MD2 1 47 VAL HA . . 3.910 3.852 3.770 3.912 0.002 15 0 "[ . 1 . 2]" 1
1186 1 47 VAL HA 1 53 GLY H . . 4.840 4.656 4.486 4.839 . 0 0 "[ . 1 . 2]" 1
1187 1 47 VAL HB 1 48 TYR HB2 . . 5.500 5.242 4.870 5.427 . 0 0 "[ . 1 . 2]" 1
1188 1 29 TRP HA 1 47 VAL HB . . 5.320 4.851 4.605 5.186 . 0 0 "[ . 1 . 2]" 1
1189 1 29 TRP HD1 1 47 VAL MG1 . . 5.500 5.009 4.631 5.466 . 0 0 "[ . 1 . 2]" 1
1190 1 46 ASP HA 1 47 VAL MG1 . . 4.240 3.719 3.441 4.117 . 0 0 "[ . 1 . 2]" 1
1191 1 23 LEU MD2 1 47 VAL MG1 . . 4.700 2.852 2.497 3.130 . 0 0 "[ . 1 . 2]" 1
1192 1 47 VAL HA 1 48 TYR HB2 . . 4.990 4.689 4.438 4.839 . 0 0 "[ . 1 . 2]" 1
1193 1 48 TYR HB2 1 50 ASP H . . 4.600 3.269 2.652 4.434 . 0 0 "[ . 1 . 2]" 1
1194 1 48 TYR HB2 1 49 ARG H . . 4.950 3.597 3.431 3.809 . 0 0 "[ . 1 . 2]" 1
1195 1 48 TYR HB3 1 50 ASP H . . 4.450 3.799 2.817 4.480 0.030 6 0 "[ . 1 . 2]" 1
1196 1 50 ASP H 1 50 ASP HB3 . . 4.140 3.339 2.770 3.818 . 0 0 "[ . 1 . 2]" 1
1197 1 23 LEU HB2 1 51 GLY HA2 . . 4.280 2.434 2.198 2.747 . 0 0 "[ . 1 . 2]" 1
1198 1 23 LEU HB3 1 51 GLY HA2 . . 4.640 3.110 2.932 3.203 . 0 0 "[ . 1 . 2]" 1
1199 1 23 LEU MD1 1 51 GLY HA2 . . 5.110 3.866 3.530 4.202 . 0 0 "[ . 1 . 2]" 1
1200 1 23 LEU HB2 1 51 GLY HA3 . . 4.280 3.525 3.310 3.758 . 0 0 "[ . 1 . 2]" 1
1201 1 23 LEU HB3 1 51 GLY HA3 . . 4.640 4.584 4.467 4.642 0.002 15 0 "[ . 1 . 2]" 1
1202 1 23 LEU MD1 1 51 GLY HA3 . . 5.110 4.778 4.414 5.063 . 0 0 "[ . 1 . 2]" 1
1203 1 23 LEU MD1 1 52 THR HA . . 4.360 2.395 2.030 2.725 . 0 0 "[ . 1 . 2]" 1
1204 1 20 VAL MG1 1 52 THR HA . . 4.700 4.149 3.802 4.457 . 0 0 "[ . 1 . 2]" 1
1205 1 19 VAL MG1 1 52 THR HA . . 5.300 4.861 4.647 5.106 . 0 0 "[ . 1 . 2]" 1
1206 1 23 LEU HG 1 52 THR HA . . 5.500 4.313 4.098 4.498 . 0 0 "[ . 1 . 2]" 1
1207 1 48 TYR QE 1 53 GLY HA3 . . 5.070 4.663 4.338 5.074 0.004 6 0 "[ . 1 . 2]" 1
1208 1 53 GLY HA2 1 54 VAL MG1 . . 5.000 3.602 3.285 3.860 . 0 0 "[ . 1 . 2]" 1
1209 1 53 GLY HA2 1 54 VAL MG2 . . 5.420 3.607 3.453 3.814 . 0 0 "[ . 1 . 2]" 1
1210 1 17 ARG QD 1 54 VAL HB . . 4.000 2.926 2.269 3.485 . 0 0 "[ . 1 . 2]" 1
1211 1 19 VAL HA 1 54 VAL HB . . 4.260 4.106 3.720 4.266 0.006 6 0 "[ . 1 . 2]" 1
1212 1 44 TYR QD 1 54 VAL HB . . 4.730 4.363 4.071 4.710 . 0 0 "[ . 1 . 2]" 1
1213 1 55 VAL HB 1 57 PHE QE . . 4.200 3.984 3.760 4.153 . 0 0 "[ . 1 . 2]" 1
1214 1 18 VAL H 1 55 VAL HB . . 5.030 4.056 3.765 4.289 . 0 0 "[ . 1 . 2]" 1
1215 1 55 VAL HB 1 56 GLU H . . 4.670 3.944 3.765 4.096 . 0 0 "[ . 1 . 2]" 1
1216 1 18 VAL HB 1 55 VAL HB . . 5.500 4.882 4.598 5.117 . 0 0 "[ . 1 . 2]" 1
1217 1 36 MET ME 1 55 VAL HB . . 4.340 3.740 3.142 4.347 0.007 8 0 "[ . 1 . 2]" 1
1218 1 36 MET H 1 55 VAL MG1 . . 5.500 4.999 4.577 5.229 . 0 0 "[ . 1 . 2]" 1
1219 1 42 VAL HA 1 55 VAL MG1 . . 4.920 3.650 3.500 4.003 . 0 0 "[ . 1 . 2]" 1
1220 1 44 TYR HB3 1 56 GLU HA . . 5.260 4.436 4.208 4.673 . 0 0 "[ . 1 . 2]" 1
1221 1 17 ARG HG3 1 56 GLU HA . . 4.740 3.533 3.180 3.867 . 0 0 "[ . 1 . 2]" 1
1222 1 56 GLU HA 1 57 PHE QD . . 4.720 4.190 3.950 4.514 . 0 0 "[ . 1 . 2]" 1
1223 1 44 TYR HB3 1 56 GLU QG . . 4.420 3.907 3.587 4.166 . 0 0 "[ . 1 . 2]" 1
1224 1 44 TYR QD 1 56 GLU QG . . 4.560 3.956 3.242 4.413 . 0 0 "[ . 1 . 2]" 1
1225 1 56 GLU H 1 56 GLU QG . . 4.610 4.073 3.865 4.147 . 0 0 "[ . 1 . 2]" 1
1226 1 57 PHE HA 1 58 VAL HB . . 4.980 4.847 4.823 4.871 . 0 0 "[ . 1 . 2]" 1
1227 1 59 ARG H 1 59 ARG HG2 . . 4.420 3.695 2.582 4.379 . 0 0 "[ . 1 . 2]" 1
1228 1 60 LYS HA 1 64 THR H . . 5.500 4.081 3.897 4.367 . 0 0 "[ . 1 . 2]" 1
1229 1 16 ASN HB2 1 60 LYS HA . . 4.310 3.880 3.149 4.302 . 0 0 "[ . 1 . 2]" 1
1230 1 60 LYS HA 1 60 LYS QD . . 4.520 3.540 2.613 4.146 . 0 0 "[ . 1 . 2]" 1
1231 1 61 GLU HA 1 64 THR MG . . 4.900 4.753 4.583 4.896 . 0 0 "[ . 1 . 2]" 1
1232 1 60 LYS QG 1 61 GLU HA . . 4.780 3.809 3.445 4.392 . 0 0 "[ . 1 . 2]" 1
1233 1 61 GLU HA 1 63 MET H . . 4.530 4.179 3.860 4.417 . 0 0 "[ . 1 . 2]" 1
1234 1 61 GLU HA 1 65 TYR H . . 5.250 4.472 4.106 4.695 . 0 0 "[ . 1 . 2]" 1
1235 1 61 GLU HA 1 64 THR H . . 4.310 3.788 3.494 4.078 . 0 0 "[ . 1 . 2]" 1
1236 1 57 PHE QD 1 62 ASP HB2 . . 4.410 3.135 2.645 3.709 . 0 0 "[ . 1 . 2]" 1
1237 1 62 ASP HB2 1 63 MET H . . 4.230 2.917 2.712 3.176 . 0 0 "[ . 1 . 2]" 1
1238 1 62 ASP HB3 1 63 MET H . . 4.230 4.076 3.868 4.229 . 0 0 "[ . 1 . 2]" 1
1239 1 57 PHE QD 1 62 ASP HB3 . . 4.410 3.575 3.155 4.063 . 0 0 "[ . 1 . 2]" 1
1240 1 60 LYS HA 1 63 MET HA . . 5.490 4.981 4.818 5.117 . 0 0 "[ . 1 . 2]" 1
1241 1 63 MET HA 1 65 TYR H . . 5.370 4.013 3.755 4.416 . 0 0 "[ . 1 . 2]" 1
1242 1 63 MET HA 1 67 VAL H . . 5.500 4.322 4.090 4.511 . 0 0 "[ . 1 . 2]" 1
1243 1 63 MET HA 1 66 ALA H . . 4.490 3.412 3.201 3.622 . 0 0 "[ . 1 . 2]" 1
1244 1 57 PHE QD 1 63 MET HB3 . . 4.580 3.815 3.551 4.184 . 0 0 "[ . 1 . 2]" 1
1245 1 63 MET H 1 63 MET HG2 . . 4.570 4.423 4.392 4.442 . 0 0 "[ . 1 . 2]" 1
1246 1 57 PHE QD 1 63 MET HG2 . . 4.190 3.298 3.075 3.510 . 0 0 "[ . 1 . 2]" 1
1247 1 63 MET HA 1 64 THR HA . . 5.210 4.779 4.713 4.820 . 0 0 "[ . 1 . 2]" 1
1248 1 64 THR HA 1 68 ARG QD . . 5.500 4.642 4.336 4.834 . 0 0 "[ . 1 . 2]" 1
1249 1 64 THR HB 1 65 TYR QB . . 4.610 4.140 4.046 4.299 . 0 0 "[ . 1 . 2]" 1
1250 1 64 THR HB 1 68 ARG QD . . 5.040 4.344 4.001 4.658 . 0 0 "[ . 1 . 2]" 1
1251 1 63 MET ME 1 64 THR HB . . 5.090 3.996 3.662 4.254 . 0 0 "[ . 1 . 2]" 1
1252 1 63 MET HB3 1 64 THR MG . . 5.430 5.271 5.155 5.367 . 0 0 "[ . 1 . 2]" 1
1253 1 65 TYR QB 1 66 ALA HA . . 4.930 4.248 4.181 4.338 . 0 0 "[ . 1 . 2]" 1
1254 1 36 MET ME 1 66 ALA HA . . 4.970 4.081 3.771 4.337 . 0 0 "[ . 1 . 2]" 1
1255 1 39 ALA HA 1 66 ALA HA . . 5.330 4.280 3.993 4.587 . 0 0 "[ . 1 . 2]" 1
1256 1 65 TYR HA 1 66 ALA HA . . 5.500 4.809 4.781 4.843 . 0 0 "[ . 1 . 2]" 1
1257 1 65 TYR QE 1 66 ALA HA . . 5.480 4.168 3.848 4.486 . 0 0 "[ . 1 . 2]" 1
1258 1 39 ALA HA 1 66 ALA MB . . 4.480 4.020 3.768 4.260 . 0 0 "[ . 1 . 2]" 1
1259 1 66 ALA MB 1 87 VAL HB . . 4.330 4.124 3.856 4.305 . 0 0 "[ . 1 . 2]" 1
1260 1 66 ALA MB 1 67 VAL HA . . 4.650 3.831 3.775 3.877 . 0 0 "[ . 1 . 2]" 1
1261 1 67 VAL HA 1 71 ASP H . . 4.980 4.890 4.769 4.980 0.000 16 0 "[ . 1 . 2]" 1
1262 1 67 VAL HA 1 70 LEU H . . 4.940 4.573 4.434 4.762 . 0 0 "[ . 1 . 2]" 1
1263 1 68 ARG HG3 1 69 LYS H . . 4.540 4.402 4.283 4.483 . 0 0 "[ . 1 . 2]" 1
1264 1 69 LYS HA 1 69 LYS QE . . 5.160 4.273 3.995 4.620 . 0 0 "[ . 1 . 2]" 1
1265 1 68 ARG QB 1 69 LYS HA . . 4.440 3.939 3.876 3.987 . 0 0 "[ . 1 . 2]" 1
1266 1 68 ARG H 1 69 LYS HA . . 5.490 5.044 4.993 5.109 . 0 0 "[ . 1 . 2]" 1
1267 1 66 ALA HA 1 69 LYS HB3 . . 5.240 5.109 4.952 5.220 . 0 0 "[ . 1 . 2]" 1
1268 1 68 ARG QB 1 69 LYS HB3 . . 5.370 5.091 5.060 5.127 . 0 0 "[ . 1 . 2]" 1
1269 1 69 LYS HB3 1 70 LEU HG . . 3.800 3.742 3.653 3.802 0.002 16 0 "[ . 1 . 2]" 1
1270 1 65 TYR QD 1 69 LYS HB3 . . 5.240 5.131 4.992 5.236 . 0 0 "[ . 1 . 2]" 1
1271 1 68 ARG H 1 69 LYS HB2 . . 5.060 4.614 4.537 4.698 . 0 0 "[ . 1 . 2]" 1
1272 1 65 TYR QD 1 69 LYS HB2 . . 4.700 3.781 3.635 3.949 . 0 0 "[ . 1 . 2]" 1
1273 1 66 ALA HA 1 69 LYS HB2 . . 5.160 3.673 3.563 3.756 . 0 0 "[ . 1 . 2]" 1
1274 1 68 ARG QB 1 69 LYS HB2 . . 4.500 4.085 4.061 4.117 . 0 0 "[ . 1 . 2]" 1
1275 1 69 LYS HB2 1 70 LEU HG . . 4.270 3.007 2.900 3.213 . 0 0 "[ . 1 . 2]" 1
1276 1 68 ARG QB 1 69 LYS HG2 . . 4.160 3.247 3.188 3.337 . 0 0 "[ . 1 . 2]" 1
1277 1 68 ARG QB 1 69 LYS HG3 . . 4.300 3.796 3.720 3.862 . 0 0 "[ . 1 . 2]" 1
1278 1 65 TYR HA 1 69 LYS HG2 . . 5.500 5.319 5.171 5.393 . 0 0 "[ . 1 . 2]" 1
1279 1 68 ARG HA 1 69 LYS HG2 . . 5.500 5.124 5.061 5.221 . 0 0 "[ . 1 . 2]" 1
1280 1 65 TYR QE 1 69 LYS HG2 . . 4.780 4.040 3.827 4.254 . 0 0 "[ . 1 . 2]" 1
1281 1 65 TYR QD 1 69 LYS HG2 . . 5.150 4.733 4.515 4.924 . 0 0 "[ . 1 . 2]" 1
1282 1 68 ARG H 1 69 LYS HG3 . . 5.490 5.432 5.339 5.489 . 0 0 "[ . 1 . 2]" 1
1283 1 68 ARG H 1 69 LYS HG2 . . 5.500 5.215 5.144 5.340 . 0 0 "[ . 1 . 2]" 1
1284 1 69 LYS HG2 1 70 LEU H . . 5.300 4.598 4.578 4.635 . 0 0 "[ . 1 . 2]" 1
1285 1 69 LYS HG3 1 70 LEU H . . 5.290 4.580 4.504 4.655 . 0 0 "[ . 1 . 2]" 1
1286 1 69 LYS H 1 69 LYS HD2 . . 5.470 5.128 5.032 5.215 . 0 0 "[ . 1 . 2]" 1
1287 1 69 LYS H 1 69 LYS HD3 . . 5.470 4.944 4.843 5.042 . 0 0 "[ . 1 . 2]" 1
1288 1 65 TYR QE 1 69 LYS HD2 . . 5.010 3.536 3.374 3.676 . 0 0 "[ . 1 . 2]" 1
1289 1 36 MET ME 1 70 LEU HB2 . . 4.840 2.796 2.560 3.075 . 0 0 "[ . 1 . 2]" 1
1290 1 36 MET ME 1 70 LEU HB3 . . 4.840 2.815 2.625 3.069 . 0 0 "[ . 1 . 2]" 1
1291 1 65 TYR QD 1 70 LEU HG . . 5.000 3.769 3.555 3.947 . 0 0 "[ . 1 . 2]" 1
1292 1 71 ASP HA 1 86 ARG HA . . 4.190 3.371 3.146 3.540 . 0 0 "[ . 1 . 2]" 1
1293 1 67 VAL MG1 1 71 ASP HB2 . . 5.020 4.008 3.840 4.234 . 0 0 "[ . 1 . 2]" 1
1294 1 67 VAL MG2 1 71 ASP HB2 . . 5.500 4.641 4.551 4.750 . 0 0 "[ . 1 . 2]" 1
1295 1 71 ASP HB3 1 87 VAL MG2 . . 5.110 5.001 4.785 5.111 0.001 12 0 "[ . 1 . 2]" 1
1296 1 71 ASP HB3 1 72 ASN H . . 5.000 4.540 4.430 4.588 . 0 0 "[ . 1 . 2]" 1
1297 1 70 LEU MD2 1 73 THR HB . . 4.810 4.720 4.580 4.810 . 0 0 "[ . 1 . 2]" 1
1298 1 35 HIS HE1 1 73 THR HB . . 4.610 4.172 3.677 4.528 . 0 0 "[ . 1 . 2]" 1
1299 1 74 LYS HA 1 74 LYS QE . . 4.980 4.536 4.233 4.879 . 0 0 "[ . 1 . 2]" 1
1300 1 74 LYS HA 1 85 ILE H . . 4.470 3.616 3.324 3.826 . 0 0 "[ . 1 . 2]" 1
1301 1 74 LYS HA 1 84 TYR H . . 5.500 3.931 3.776 4.096 . 0 0 "[ . 1 . 2]" 1
1302 1 74 LYS HB2 1 75 PHE H . . 5.150 4.411 4.268 4.553 . 0 0 "[ . 1 . 2]" 1
1303 1 74 LYS HG2 1 75 PHE H . . 4.660 3.739 3.068 4.629 . 0 0 "[ . 1 . 2]" 1
1304 1 74 LYS H 1 74 LYS HG2 . . 5.150 4.474 4.299 4.599 . 0 0 "[ . 1 . 2]" 1
1305 1 74 LYS H 1 74 LYS HG3 . . 5.150 4.470 4.359 4.611 . 0 0 "[ . 1 . 2]" 1
1306 1 74 LYS QD 1 83 ALA H . . 5.500 4.178 3.246 4.909 . 0 0 "[ . 1 . 2]" 1
1307 1 74 LYS H 1 74 LYS QD . . 4.730 4.385 4.222 4.510 . 0 0 "[ . 1 . 2]" 1
1308 1 74 LYS QD 1 75 PHE H . . 5.210 4.684 4.064 5.060 . 0 0 "[ . 1 . 2]" 1
1309 1 74 LYS HA 1 74 LYS QD . . 4.520 3.702 2.923 4.252 . 0 0 "[ . 1 . 2]" 1
1310 1 74 LYS HA 1 75 PHE HB3 . . 4.910 4.369 4.328 4.416 . 0 0 "[ . 1 . 2]" 1
1311 1 75 PHE HB2 1 83 ALA H . . 5.500 5.240 5.125 5.370 . 0 0 "[ . 1 . 2]" 1
1312 1 74 LYS HA 1 75 PHE HB2 . . 5.090 4.960 4.868 5.033 . 0 0 "[ . 1 . 2]" 1
1313 1 76 ARG HB2 1 77 SER H . . 5.080 4.170 4.005 4.323 . 0 0 "[ . 1 . 2]" 1
1314 1 76 ARG HG3 1 77 SER H . . 4.560 3.367 2.733 4.047 . 0 0 "[ . 1 . 2]" 1
1315 1 76 ARG HG3 1 80 GLY HA3 . . 4.740 4.646 4.378 4.734 . 0 0 "[ . 1 . 2]" 1
1316 1 93 ARG QG 1 94 SER H . . 5.260 3.260 2.087 4.437 . 0 0 "[ . 1 . 2]" 1
1317 1 76 ARG H 1 76 ARG QD . . 5.220 4.542 4.081 4.845 . 0 0 "[ . 1 . 2]" 1
1318 1 93 ARG QD 1 94 SER H . . 5.500 4.593 2.936 5.449 . 0 0 "[ . 1 . 2]" 1
1319 1 76 ARG QD 1 77 SER H . . 5.500 4.380 3.602 4.858 . 0 0 "[ . 1 . 2]" 1
1320 1 93 ARG HA 1 93 ARG QD . . 4.560 3.695 2.289 4.210 . 0 0 "[ . 1 . 2]" 1
1321 1 78 HIS HA 1 80 GLY H . . 4.840 3.705 3.365 4.062 . 0 0 "[ . 1 . 2]" 1
1322 1 78 HIS HD2 1 79 GLU HG3 . . 4.840 4.303 3.795 4.754 . 0 0 "[ . 1 . 2]" 1
1323 1 26 SER HB3 1 79 GLU HG3 . . 4.570 2.384 2.029 3.433 . 0 0 "[ . 1 . 2]" 1
1324 1 26 SER HB2 1 79 GLU HG2 . . 4.570 4.158 2.824 4.565 . 0 0 "[ . 1 . 2]" 1
1325 1 26 SER HB3 1 79 GLU HG2 . . 4.570 3.079 2.007 4.405 . 0 0 "[ . 1 . 2]" 1
1326 1 76 ARG HG2 1 80 GLY HA2 . . 4.740 2.938 2.497 3.104 . 0 0 "[ . 1 . 2]" 1
1327 1 76 ARG HG3 1 80 GLY HA2 . . 4.740 3.313 2.996 3.507 . 0 0 "[ . 1 . 2]" 1
1328 1 76 ARG QD 1 80 GLY HA2 . . 5.290 3.043 2.320 3.966 . 0 0 "[ . 1 . 2]" 1
1329 1 76 ARG HG2 1 80 GLY HA3 . . 4.740 4.538 4.094 4.725 . 0 0 "[ . 1 . 2]" 1
1330 1 76 ARG QD 1 80 GLY HA3 . . 5.290 4.482 3.828 5.265 . 0 0 "[ . 1 . 2]" 1
1331 1 82 THR HA 1 83 ALA MB . . 4.450 3.861 3.755 3.926 . 0 0 "[ . 1 . 2]" 1
1332 1 75 PHE H 1 82 THR HA . . 5.290 4.736 4.524 4.963 . 0 0 "[ . 1 . 2]" 1
1333 1 75 PHE H 1 82 THR HB . . 5.500 4.768 4.446 5.228 . 0 0 "[ . 1 . 2]" 1
1334 1 74 LYS QE 1 83 ALA HA . . 5.500 5.188 4.737 5.505 0.005 1 0 "[ . 1 . 2]" 1
1335 1 83 ALA HA 1 84 TYR HB2 . . 5.500 4.797 4.477 4.896 . 0 0 "[ . 1 . 2]" 1
1336 1 83 ALA HA 1 84 TYR QD . . 5.060 4.084 3.020 4.392 . 0 0 "[ . 1 . 2]" 1
1337 1 82 THR HA 1 83 ALA HA . . 5.390 4.492 4.433 4.558 . 0 0 "[ . 1 . 2]" 1
1338 1 84 TYR HA 1 84 TYR QD . . 4.310 2.675 2.403 2.958 . 0 0 "[ . 1 . 2]" 1
1339 1 84 TYR HB3 1 85 ILE H . . 4.570 3.404 3.100 3.594 . 0 0 "[ . 1 . 2]" 1
1340 1 20 VAL MG1 1 85 ILE HA . . 4.810 3.992 3.810 4.157 . 0 0 "[ . 1 . 2]" 1
1341 1 23 LEU MD2 1 85 ILE HB . . 5.020 4.225 3.815 4.569 . 0 0 "[ . 1 . 2]" 1
1342 1 22 GLY HA3 1 85 ILE HB . . 5.330 4.777 4.515 5.014 . 0 0 "[ . 1 . 2]" 1
1343 1 72 ASN HA 1 85 ILE HG13 . . 4.690 4.375 4.243 4.492 . 0 0 "[ . 1 . 2]" 1
1344 1 84 TYR HA 1 85 ILE HG13 . . 4.720 4.250 4.122 4.364 . 0 0 "[ . 1 . 2]" 1
1345 1 72 ASN H 1 85 ILE HG13 . . 5.070 3.893 3.697 4.151 . 0 0 "[ . 1 . 2]" 1
1346 1 75 PHE HB2 1 85 ILE HG13 . . 5.500 3.616 3.530 3.728 . 0 0 "[ . 1 . 2]" 1
1347 1 75 PHE HB2 1 85 ILE HG12 . . 4.900 2.106 2.003 2.227 . 0 0 "[ . 1 . 2]" 1
1348 1 75 PHE HB3 1 85 ILE HG12 . . 5.030 2.261 2.125 2.443 . 0 0 "[ . 1 . 2]" 1
1349 1 84 TYR HA 1 85 ILE HG12 . . 4.460 4.297 4.131 4.446 . 0 0 "[ . 1 . 2]" 1
1350 1 24 PRO HD2 1 85 ILE MG . . 4.780 3.519 3.280 3.726 . 0 0 "[ . 1 . 2]" 1
1351 1 83 ALA H 1 85 ILE MG . . 5.500 4.596 4.366 4.871 . 0 0 "[ . 1 . 2]" 1
1352 1 84 TYR H 1 85 ILE MG . . 5.500 4.584 4.470 4.687 . 0 0 "[ . 1 . 2]" 1
1353 1 72 ASN H 1 85 ILE MD . . 4.980 4.169 3.820 4.497 . 0 0 "[ . 1 . 2]" 1
1354 1 85 ILE MD 1 87 VAL H . . 5.500 4.680 4.260 5.007 . 0 0 "[ . 1 . 2]" 1
1355 1 71 ASP HA 1 85 ILE MD . . 5.190 4.556 4.000 4.842 . 0 0 "[ . 1 . 2]" 1
1356 1 75 PHE HA 1 85 ILE MD . . 5.500 4.614 4.355 4.799 . 0 0 "[ . 1 . 2]" 1
1357 1 20 VAL HA 1 85 ILE MD . . 4.880 4.415 4.197 4.681 . 0 0 "[ . 1 . 2]" 1
1358 1 75 PHE HB3 1 85 ILE MD . . 4.500 3.590 3.357 3.774 . 0 0 "[ . 1 . 2]" 1
1359 1 72 ASN HA 1 86 ARG HA . . 3.880 2.710 2.423 2.895 . 0 0 "[ . 1 . 2]" 1
1360 1 86 ARG H 1 86 ARG HG2 . . 4.900 4.433 3.335 4.876 . 0 0 "[ . 1 . 2]" 1
1361 1 86 ARG HG2 1 87 VAL H . . 4.900 3.815 3.317 4.348 . 0 0 "[ . 1 . 2]" 1
1362 1 86 ARG H 1 86 ARG HG3 . . 4.900 4.421 3.952 4.653 . 0 0 "[ . 1 . 2]" 1
1363 1 72 ASN H 1 86 ARG HD2 . . 5.000 4.357 2.752 4.916 . 0 0 "[ . 1 . 2]" 1
1364 1 71 ASP HB3 1 87 VAL HB . . 4.640 4.383 4.103 4.634 . 0 0 "[ . 1 . 2]" 1
1365 1 71 ASP H 1 87 VAL HB . . 5.060 4.845 4.613 5.014 . 0 0 "[ . 1 . 2]" 1
1366 1 19 VAL H 1 89 VAL HA . . 4.180 4.025 3.717 4.181 0.001 1 0 "[ . 1 . 2]" 1
1367 1 17 ARG HG2 1 90 ASP HB3 . . 4.530 4.000 3.349 4.305 . 0 0 "[ . 1 . 2]" 1
1368 1 17 ARG HB3 1 90 ASP HB3 . . 4.660 2.797 2.547 2.952 . 0 0 "[ . 1 . 2]" 1
1369 1 17 ARG HB2 1 90 ASP HB3 . . 4.660 4.523 4.273 4.665 0.005 18 0 "[ . 1 . 2]" 1
1370 1 89 VAL HA 1 90 ASP HB3 . . 4.990 4.621 4.475 4.758 . 0 0 "[ . 1 . 2]" 1
1371 1 89 VAL HA 1 90 ASP HB2 . . 4.910 4.567 4.439 4.707 . 0 0 "[ . 1 . 2]" 1
1372 1 17 ARG HB2 1 90 ASP HB2 . . 4.950 4.883 4.747 4.950 0.000 13 0 "[ . 1 . 2]" 1
1373 1 29 TRP HD1 1 47 VAL MG2 . . 4.650 3.689 3.161 4.003 . 0 0 "[ . 1 . 2]" 1
1374 1 29 TRP HD1 1 45 ALA MB . . 5.160 5.117 5.062 5.161 0.001 10 0 "[ . 1 . 2]" 1
1375 1 29 TRP HA 1 29 TRP HD1 . . 4.990 4.779 4.694 4.821 . 0 0 "[ . 1 . 2]" 1
1376 1 78 HIS HD2 1 79 GLU HG2 . . 4.840 2.774 2.034 4.134 . 0 0 "[ . 1 . 2]" 1
1377 1 78 HIS HD2 1 79 GLU HA . . 4.260 3.490 2.739 4.050 . 0 0 "[ . 1 . 2]" 1
1378 1 44 TYR QD 1 56 GLU HB3 . . 4.170 3.648 3.369 3.907 . 0 0 "[ . 1 . 2]" 1
1379 1 44 TYR QD 1 45 ALA HA . . 4.540 4.160 3.732 4.358 . 0 0 "[ . 1 . 2]" 1
1380 1 44 TYR QD 1 56 GLU H . . 4.950 3.458 3.037 3.919 . 0 0 "[ . 1 . 2]" 1
1381 1 44 TYR QD 1 46 ASP H . . 5.500 5.015 4.839 5.159 . 0 0 "[ . 1 . 2]" 1
1382 1 44 TYR QD 1 55 VAL H . . 5.500 5.134 4.775 5.344 . 0 0 "[ . 1 . 2]" 1
1383 1 44 TYR QE 1 46 ASP H . . 5.350 4.586 4.367 4.846 . 0 0 "[ . 1 . 2]" 1
1384 1 44 TYR QE 1 55 VAL H . . 5.500 5.380 5.078 5.491 . 0 0 "[ . 1 . 2]" 1
1385 1 47 VAL MG1 1 48 TYR QD . . 5.500 4.845 4.549 5.127 . 0 0 "[ . 1 . 2]" 1
1386 1 47 VAL MG2 1 48 TYR QD . . 5.500 5.189 4.996 5.395 . 0 0 "[ . 1 . 2]" 1
1387 1 48 TYR QD 1 54 VAL MG1 . . 4.670 3.944 3.507 4.174 . 0 0 "[ . 1 . 2]" 1
1388 1 48 TYR QD 1 54 VAL MG2 . . 5.150 4.188 3.775 4.571 . 0 0 "[ . 1 . 2]" 1
1389 1 48 TYR QD 1 53 GLY HA2 . . 4.730 2.447 2.228 2.665 . 0 0 "[ . 1 . 2]" 1
1390 1 48 TYR QD 1 53 GLY H . . 5.140 3.840 3.213 4.328 . 0 0 "[ . 1 . 2]" 1
1391 1 48 TYR QE 1 53 GLY HA2 . . 4.870 3.057 2.694 3.447 . 0 0 "[ . 1 . 2]" 1
1392 1 65 TYR QE 1 69 LYS QE . . 5.430 2.737 2.380 3.696 . 0 0 "[ . 1 . 2]" 1
1393 1 48 TYR QE 1 54 VAL H . . 4.700 3.345 2.682 4.069 . 0 0 "[ . 1 . 2]" 1
1394 1 74 LYS HG3 1 84 TYR QE . . 5.500 3.689 2.433 5.003 . 0 0 "[ . 1 . 2]" 1
1395 1 74 LYS HG2 1 84 TYR QE . . 5.500 4.604 4.077 4.943 . 0 0 "[ . 1 . 2]" 1
1396 1 74 LYS QD 1 84 TYR QE . . 4.360 3.359 2.271 4.194 . 0 0 "[ . 1 . 2]" 1
1397 1 74 LYS HB2 1 84 TYR QE . . 4.380 2.405 2.098 2.874 . 0 0 "[ . 1 . 2]" 1
1398 1 74 LYS HA 1 84 TYR QE . . 4.730 3.987 3.767 4.350 . 0 0 "[ . 1 . 2]" 1
1399 1 74 LYS H 1 84 TYR QE . . 4.600 4.262 3.520 4.580 . 0 0 "[ . 1 . 2]" 1
1400 1 74 LYS HA 1 84 TYR QD . . 5.140 2.577 2.016 3.210 . 0 0 "[ . 1 . 2]" 1
1401 1 83 ALA MB 1 84 TYR QD . . 5.430 4.706 4.321 4.902 . 0 0 "[ . 1 . 2]" 1
1402 1 55 VAL MG1 1 57 PHE QD . . 4.580 3.634 3.406 3.774 . 0 0 "[ . 1 . 2]" 1
1403 1 57 PHE QD 1 63 MET HB2 . . 4.280 2.383 2.031 2.884 . 0 0 "[ . 1 . 2]" 1
1404 1 32 LEU MD1 1 75 PHE QD . . 4.330 3.744 3.405 4.068 . 0 0 "[ . 1 . 2]" 1
1405 1 24 PRO HG2 1 75 PHE QD . . 4.230 3.884 3.575 4.208 . 0 0 "[ . 1 . 2]" 1
1406 1 24 PRO HG3 1 75 PHE QD . . 4.080 2.755 2.423 3.057 . 0 0 "[ . 1 . 2]" 1
1407 1 75 PHE QD 1 76 ARG HA . . 5.040 3.951 3.514 4.192 . 0 0 "[ . 1 . 2]" 1
1408 1 75 PHE QD 1 82 THR HA . . 5.500 4.363 3.794 4.714 . 0 0 "[ . 1 . 2]" 1
1409 1 35 HIS H 1 75 PHE QD . . 5.500 4.465 4.149 4.717 . 0 0 "[ . 1 . 2]" 1
1410 1 75 PHE QD 1 77 SER H . . 5.080 4.492 4.253 4.879 . 0 0 "[ . 1 . 2]" 1
1411 1 75 PHE H 1 75 PHE QD . . 4.810 3.861 3.772 3.958 . 0 0 "[ . 1 . 2]" 1
1412 1 75 PHE QE 1 77 SER HA . . 3.890 3.325 2.968 3.588 . 0 0 "[ . 1 . 2]" 1
1413 1 91 GLY HA2 1 92 PRO QG . . 4.830 4.280 3.859 4.551 . 0 0 "[ . 1 . 2]" 1
1414 1 35 HIS HE1 1 75 PHE HB2 . . 5.060 4.064 3.464 4.769 . 0 0 "[ . 1 . 2]" 1
1415 1 35 HIS HE1 1 76 ARG H . . 4.430 4.224 3.688 4.431 0.001 16 0 "[ . 1 . 2]" 1
1416 1 58 VAL MG2 1 59 ARG HD2 . . 4.510 3.842 3.132 4.496 . 0 0 "[ . 1 . 2]" 1
1417 1 58 VAL MG2 1 59 ARG HD3 . . 4.510 3.877 3.540 4.413 . 0 0 "[ . 1 . 2]" 1
1418 1 78 HIS HE1 1 79 GLU HG3 . . 5.490 5.111 4.334 5.485 . 0 0 "[ . 1 . 2]" 1
1419 1 78 HIS HE1 1 79 GLU HG2 . . 5.490 4.173 3.620 4.877 . 0 0 "[ . 1 . 2]" 1
1420 1 28 SER HB2 1 78 HIS HE1 . . 4.370 3.005 2.334 4.196 . 0 0 "[ . 1 . 2]" 1
1421 1 77 SER HB2 1 78 HIS H . . 4.510 2.448 2.144 3.293 . 0 0 "[ . 1 . 2]" 1
1422 1 75 PHE QE 1 77 SER HB2 . . 4.670 3.629 2.644 4.528 . 0 0 "[ . 1 . 2]" 1
1423 1 77 SER HB2 1 79 GLU H . . 4.580 3.180 2.376 3.879 . 0 0 "[ . 1 . 2]" 1
1424 1 24 PRO HG2 1 77 SER HG . . 5.300 4.384 2.722 5.155 . 0 0 "[ . 1 . 2]" 1
1425 1 24 PRO HG2 1 75 PHE QE . . 4.510 2.561 2.178 2.867 . 0 0 "[ . 1 . 2]" 1
1426 1 24 PRO HG3 1 75 PHE QE . . 4.480 2.480 2.127 2.851 . 0 0 "[ . 1 . 2]" 1
1427 1 24 PRO HG3 1 27 GLY H . . 4.840 4.039 3.486 4.693 . 0 0 "[ . 1 . 2]" 1
1428 1 24 PRO HG3 1 76 ARG HA . . 5.500 4.629 4.267 4.894 . 0 0 "[ . 1 . 2]" 1
1429 1 24 PRO HG2 1 83 ALA MB . . 4.670 4.197 3.947 4.387 . 0 0 "[ . 1 . 2]" 1
1430 1 24 PRO HD3 1 85 ILE MG . . 4.720 3.169 2.919 3.452 . 0 0 "[ . 1 . 2]" 1
1431 1 23 LEU HB3 1 24 PRO HD3 . . 4.130 3.880 3.740 3.951 . 0 0 "[ . 1 . 2]" 1
1432 1 24 PRO HD2 1 75 PHE QE . . 4.320 2.837 2.408 3.362 . 0 0 "[ . 1 . 2]" 1
1433 1 89 VAL MG1 1 92 PRO QD . . 5.500 4.927 4.196 5.406 . 0 0 "[ . 1 . 2]" 1
1434 1 89 VAL MG2 1 92 PRO QD . . 5.500 4.993 4.190 5.482 . 0 0 "[ . 1 . 2]" 1
1435 1 66 ALA MB 1 70 LEU HG . . 3.950 3.511 3.409 3.598 . 0 0 "[ . 1 . 2]" 1
1436 1 39 ALA HA 1 70 LEU MD1 . . 4.950 3.209 2.953 3.594 . 0 0 "[ . 1 . 2]" 1
1437 1 38 GLU H 1 70 LEU MD2 . . 5.150 4.257 3.815 4.576 . 0 0 "[ . 1 . 2]" 1
1438 1 66 ALA H 1 68 ARG QB . . 5.500 4.901 4.772 5.024 . 0 0 "[ . 1 . 2]" 1
1439 1 64 THR MG 1 68 ARG QB . . 4.560 4.335 4.111 4.538 . 0 0 "[ . 1 . 2]" 1
1440 1 67 VAL HB 1 68 ARG HA . . 4.570 4.540 4.497 4.569 . 0 0 "[ . 1 . 2]" 1
1441 1 65 TYR HA 1 65 TYR QE . . 5.200 4.791 4.706 4.875 . 0 0 "[ . 1 . 2]" 1
1442 1 65 TYR QB 1 66 ALA MB . . 4.460 3.984 3.900 4.064 . 0 0 "[ . 1 . 2]" 1
1443 1 65 TYR QD 1 70 LEU MD1 . . 4.260 3.488 3.262 3.822 . 0 0 "[ . 1 . 2]" 1
1444 1 65 TYR QD 1 69 LYS HG3 . . 4.820 3.561 3.329 3.717 . 0 0 "[ . 1 . 2]" 1
1445 1 65 TYR QD 1 68 ARG QB . . 4.840 4.087 3.894 4.184 . 0 0 "[ . 1 . 2]" 1
1446 1 62 ASP HA 1 65 TYR QD . . 4.230 3.881 3.689 3.988 . 0 0 "[ . 1 . 2]" 1
1447 1 18 VAL MG2 1 63 MET HA . . 4.290 3.860 3.627 4.091 . 0 0 "[ . 1 . 2]" 1
1448 1 63 MET HA 1 67 VAL MG1 . . 4.710 4.202 3.921 4.566 . 0 0 "[ . 1 . 2]" 1
1449 1 63 MET HG2 1 64 THR HA . . 4.830 3.855 3.544 4.137 . 0 0 "[ . 1 . 2]" 1
1450 1 63 MET HG2 1 89 VAL MG2 . . 4.150 3.902 3.774 4.115 . 0 0 "[ . 1 . 2]" 1
1451 1 57 PHE QD 1 63 MET HG3 . . 4.080 2.256 2.005 2.645 . 0 0 "[ . 1 . 2]" 1
1452 1 63 MET H 1 63 MET HG3 . . 4.760 4.498 4.419 4.573 . 0 0 "[ . 1 . 2]" 1
1453 1 60 LYS HA 1 63 MET HG3 . . 4.920 4.714 4.458 4.915 . 0 0 "[ . 1 . 2]" 1
1454 1 60 LYS QD 1 63 MET ME . . 3.660 2.949 2.081 3.656 . 0 0 "[ . 1 . 2]" 1
1455 1 63 MET HB3 1 63 MET ME . . 3.160 2.170 1.991 2.518 . 0 0 "[ . 1 . 2]" 1
1456 1 57 PHE QD 1 63 MET ME . . 5.010 4.796 4.615 4.939 . 0 0 "[ . 1 . 2]" 1
1457 1 39 ALA HA 1 62 ASP HA . . 4.530 4.071 3.879 4.312 . 0 0 "[ . 1 . 2]" 1
1458 1 60 LYS HA 1 63 MET HG2 . . 5.240 5.122 4.971 5.234 . 0 0 "[ . 1 . 2]" 1
1459 1 57 PHE HA 1 58 VAL HA . . 5.180 4.383 4.349 4.443 . 0 0 "[ . 1 . 2]" 1
1460 1 54 VAL HA 1 55 VAL HB . . 4.760 4.591 4.511 4.664 . 0 0 "[ . 1 . 2]" 1
1461 1 17 ARG HG3 1 54 VAL HB . . 4.130 3.462 3.138 3.652 . 0 0 "[ . 1 . 2]" 1
1462 1 17 ARG HG2 1 54 VAL HB . . 4.390 3.326 2.936 3.934 . 0 0 "[ . 1 . 2]" 1
1463 1 53 GLY HA3 1 54 VAL MG2 . . 4.790 4.498 4.206 4.685 . 0 0 "[ . 1 . 2]" 1
1464 1 20 VAL H 1 54 VAL MG2 . . 5.500 5.297 4.946 5.444 . 0 0 "[ . 1 . 2]" 1
1465 1 53 GLY H 1 54 VAL MG2 . . 5.500 5.320 5.114 5.495 . 0 0 "[ . 1 . 2]" 1
1466 1 91 GLY HA3 1 92 PRO QG . . 4.830 4.083 3.856 4.545 . 0 0 "[ . 1 . 2]" 1
1467 1 45 ALA HA 1 55 VAL MG2 . . 4.100 2.850 2.501 3.274 . 0 0 "[ . 1 . 2]" 1
1468 1 49 ARG HA 1 51 GLY H . . 4.010 3.580 3.442 3.969 . 0 0 "[ . 1 . 2]" 1
1469 1 24 PRO HB3 1 26 SER H . . 5.500 4.041 3.890 4.536 . 0 0 "[ . 1 . 2]" 1
1470 1 24 PRO HB2 1 83 ALA MB . . 4.790 3.954 3.606 4.296 . 0 0 "[ . 1 . 2]" 1
1471 1 24 PRO HA 1 25 PRO HG3 . . 4.830 4.515 4.392 4.586 . 0 0 "[ . 1 . 2]" 1
1472 1 24 PRO HA 1 25 PRO HG2 . . 4.830 4.563 4.388 4.654 . 0 0 "[ . 1 . 2]" 1
1473 1 25 PRO HD3 1 26 SER H . . 5.040 3.913 3.835 4.027 . 0 0 "[ . 1 . 2]" 1
1474 1 20 VAL HA 1 86 ARG H . . 4.890 4.220 3.992 4.400 . 0 0 "[ . 1 . 2]" 1
1475 1 19 VAL H 1 20 VAL MG2 . . 4.910 4.365 4.264 4.528 . 0 0 "[ . 1 . 2]" 1
1476 1 20 VAL MG2 1 55 VAL H . . 4.570 3.336 3.088 3.638 . 0 0 "[ . 1 . 2]" 1
1477 1 20 VAL MG2 1 53 GLY HA2 . . 4.790 4.580 4.376 4.740 . 0 0 "[ . 1 . 2]" 1
1478 1 36 MET HG3 1 87 VAL MG2 . . 4.890 4.817 4.563 4.896 0.006 8 0 "[ . 1 . 2]" 1
1479 1 36 MET ME 1 87 VAL MG2 . . 3.070 1.930 1.774 2.155 . 0 0 "[ . 1 . 2]" 1
1480 1 19 VAL HB 1 20 VAL H . . 4.080 3.871 3.723 4.031 . 0 0 "[ . 1 . 2]" 1
1481 1 19 VAL H 1 19 VAL HB . . 3.650 2.608 2.538 2.733 . 0 0 "[ . 1 . 2]" 1
1482 1 88 LYS HA 1 88 LYS QD . . 4.270 4.088 3.462 4.269 . 0 0 "[ . 1 . 2]" 1
1483 1 88 LYS H 1 88 LYS QD . . 4.520 3.635 2.537 4.489 . 0 0 "[ . 1 . 2]" 1
1484 1 88 LYS H 1 88 LYS QE . . 5.430 4.759 4.248 5.244 . 0 0 "[ . 1 . 2]" 1
1485 1 19 VAL MG1 1 88 LYS QE . . 4.510 3.339 2.744 4.479 . 0 0 "[ . 1 . 2]" 1
1486 1 19 VAL MG2 1 88 LYS QE . . 5.020 3.308 2.704 3.832 . 0 0 "[ . 1 . 2]" 1
1487 1 63 MET HG2 1 89 VAL HA . . 4.810 4.027 3.811 4.287 . 0 0 "[ . 1 . 2]" 1
1488 1 18 VAL HA 1 89 VAL HB . . 5.160 5.041 4.730 5.163 0.003 16 0 "[ . 1 . 2]" 1
1489 1 67 VAL MG1 1 87 VAL HB . . 3.520 3.256 3.051 3.435 . 0 0 "[ . 1 . 2]" 1
1490 1 72 ASN H 1 87 VAL MG2 . . 3.980 3.206 2.839 3.522 . 0 0 "[ . 1 . 2]" 1
1491 1 70 LEU H 1 87 VAL MG2 . . 5.500 5.178 5.031 5.333 . 0 0 "[ . 1 . 2]" 1
1492 1 85 ILE H 1 87 VAL MG2 . . 5.500 5.391 5.247 5.499 . 0 0 "[ . 1 . 2]" 1
1493 1 71 ASP H 1 87 VAL MG2 . . 4.640 4.550 4.308 4.644 0.004 1 0 "[ . 1 . 2]" 1
1494 1 67 VAL HA 1 87 VAL MG2 . . 4.180 4.111 3.976 4.178 . 0 0 "[ . 1 . 2]" 1
1495 1 20 VAL MG1 1 85 ILE HG12 . . 4.290 4.133 3.942 4.257 . 0 0 "[ . 1 . 2]" 1
1496 1 75 PHE H 1 82 THR MG . . 5.060 4.861 4.629 5.060 . 0 0 "[ . 1 . 2]" 1
1497 1 69 LYS HB3 1 69 LYS QE . . 5.110 3.905 3.877 3.942 . 0 0 "[ . 1 . 2]" 1
1498 1 65 TYR QE 1 68 ARG QD . . 5.500 5.438 5.215 5.500 . 14 0 "[ . 1 . 2]" 1
1499 1 65 TYR QD 1 68 ARG QD . . 4.670 4.131 3.977 4.237 . 0 0 "[ . 1 . 2]" 1
1500 1 67 VAL HB 1 89 VAL H . . 4.780 3.873 3.612 4.051 . 0 0 "[ . 1 . 2]" 1
1501 1 63 MET ME 1 65 TYR H . . 5.180 4.652 4.463 4.865 . 0 0 "[ . 1 . 2]" 1
1502 1 63 MET ME 1 90 ASP H . . 5.340 5.057 4.767 5.336 . 0 0 "[ . 1 . 2]" 1
1503 1 39 ALA MB 1 62 ASP HA . . 4.000 2.930 2.432 3.511 . 0 0 "[ . 1 . 2]" 1
1504 1 34 ASP HA 1 37 ARG QD . . 3.820 3.227 2.433 3.780 . 0 0 "[ . 1 . 2]" 1
1505 1 32 LEU HA 1 35 HIS HB3 . . 3.960 3.195 2.869 3.533 . 0 0 "[ . 1 . 2]" 1
1506 1 32 LEU HA 1 35 HIS HB2 . . 3.960 3.719 3.378 3.944 . 0 0 "[ . 1 . 2]" 1
1507 1 29 TRP HE3 1 33 LYS HB2 . . 4.390 2.633 2.301 2.959 . 0 0 "[ . 1 . 2]" 1
1508 1 84 TYR HB2 1 85 ILE H . . 4.540 4.153 3.933 4.297 . 0 0 "[ . 1 . 2]" 1
1509 1 65 TYR HA 1 68 ARG HG2 . . 4.950 4.848 4.671 4.950 0.000 16 0 "[ . 1 . 2]" 1
1510 1 97 TYR HA 1 97 TYR QD . . 3.770 2.954 2.059 3.739 . 0 0 "[ . 1 . 2]" 1
1511 1 47 VAL HA 1 47 VAL MG2 . . 3.610 3.196 3.163 3.204 . 0 0 "[ . 1 . 2]" 1
1512 1 30 GLN H 1 47 VAL MG2 . . 5.500 4.384 4.182 4.660 . 0 0 "[ . 1 . 2]" 1
1513 1 32 LEU HG 1 55 VAL MG2 . . 3.060 2.466 2.142 2.731 . 0 0 "[ . 1 . 2]" 1
1514 1 45 ALA MB 1 55 VAL MG2 . . 3.210 2.896 2.550 3.149 . 0 0 "[ . 1 . 2]" 1
1515 1 37 ARG HG2 1 38 GLU H . . 5.050 4.892 4.687 5.067 0.017 14 0 "[ . 1 . 2]" 1
1516 1 48 TYR QD 1 52 THR MG . . 5.050 4.589 4.121 4.990 . 0 0 "[ . 1 . 2]" 1
1517 1 58 VAL HA 1 58 VAL MG2 . . 2.900 2.483 2.435 2.510 . 0 0 "[ . 1 . 2]" 1
1518 1 29 TRP HZ3 1 33 LYS QE . . 4.710 3.268 2.207 4.129 . 0 0 "[ . 1 . 2]" 1
1519 1 29 TRP HE3 1 33 LYS QE . . 5.500 5.098 4.446 5.500 . 0 0 "[ . 1 . 2]" 1
1520 1 29 TRP HH2 1 33 LYS QE . . 5.500 4.200 2.829 5.483 . 0 0 "[ . 1 . 2]" 1
1521 1 33 LYS QE 1 34 ASP H . . 5.270 4.603 3.347 5.253 . 0 0 "[ . 1 . 2]" 1
1522 1 71 ASP HB2 1 87 VAL H . . 4.330 3.308 3.018 3.541 . 0 0 "[ . 1 . 2]" 1
1523 1 20 VAL HA 1 87 VAL HA . . 3.660 2.911 2.712 3.072 . 0 0 "[ . 1 . 2]" 1
1524 1 42 VAL MG2 1 57 PHE HA . . 4.580 3.938 3.611 4.223 . 0 0 "[ . 1 . 2]" 1
1525 1 42 VAL MG2 1 44 TYR H . . 5.260 4.470 4.185 4.699 . 0 0 "[ . 1 . 2]" 1
1526 1 36 MET H 1 42 VAL MG2 . . 4.470 4.195 3.893 4.408 . 0 0 "[ . 1 . 2]" 1
1527 1 46 ASP H 1 47 VAL MG1 . . 5.100 3.659 3.378 4.152 . 0 0 "[ . 1 . 2]" 1
1528 1 42 VAL MG1 1 57 PHE QD . . 4.740 4.499 4.131 4.723 . 0 0 "[ . 1 . 2]" 1
1529 1 42 VAL H 1 42 VAL MG1 . . 4.340 3.762 3.706 3.801 . 0 0 "[ . 1 . 2]" 1
1530 1 33 LYS HA 1 42 VAL MG1 . . 4.170 3.596 3.293 3.865 . 0 0 "[ . 1 . 2]" 1
1531 1 42 VAL MG1 1 44 TYR HA . . 4.710 3.599 3.414 3.793 . 0 0 "[ . 1 . 2]" 1
1532 1 42 VAL MG1 1 57 PHE HA . . 4.430 3.971 3.629 4.310 . 0 0 "[ . 1 . 2]" 1
1533 1 33 LYS QG 1 42 VAL MG1 . . 3.310 2.120 1.936 2.418 . 0 0 "[ . 1 . 2]" 1
1534 1 33 LYS HB2 1 42 VAL MG1 . . 3.890 2.984 2.576 3.452 . 0 0 "[ . 1 . 2]" 1
1535 1 66 ALA MB 1 70 LEU HB3 . . 3.990 3.571 3.425 3.780 . 0 0 "[ . 1 . 2]" 1
1536 1 70 LEU MD2 1 71 ASP H . . 4.500 4.291 4.202 4.399 . 0 0 "[ . 1 . 2]" 1
1537 1 36 MET HA 1 70 LEU MD2 . . 4.300 3.869 3.613 4.175 . 0 0 "[ . 1 . 2]" 1
1538 1 69 LYS HA 1 70 LEU MD2 . . 4.910 4.795 4.650 4.888 . 0 0 "[ . 1 . 2]" 1
1539 1 70 LEU MD2 1 73 THR MG . . 3.060 3.043 2.992 3.086 0.026 19 0 "[ . 1 . 2]" 1
1540 1 33 LYS HB3 1 42 VAL MG1 . . 5.200 4.216 3.923 4.616 . 0 0 "[ . 1 . 2]" 1
1541 1 33 LYS HB3 1 42 VAL MG2 . . 5.500 4.258 4.047 4.565 . 0 0 "[ . 1 . 2]" 1
1542 1 67 VAL H 1 67 VAL HB . . 3.630 3.615 3.611 3.621 . 0 0 "[ . 1 . 2]" 1
1543 1 18 VAL MG2 1 55 VAL HB . . 2.840 2.408 2.211 2.594 . 0 0 "[ . 1 . 2]" 1
1544 1 67 VAL HA 1 71 ASP HB3 . . 5.300 3.567 3.366 3.847 . 0 0 "[ . 1 . 2]" 1
1545 1 67 VAL HA 1 68 ARG HA . . 5.350 4.646 4.618 4.677 . 0 0 "[ . 1 . 2]" 1
1546 1 67 VAL HA 1 71 ASP HB2 . . 2.590 2.369 2.255 2.542 . 0 0 "[ . 1 . 2]" 1
1547 1 19 VAL H 1 67 VAL MG1 . . 5.180 4.699 4.587 4.822 . 0 0 "[ . 1 . 2]" 1
1548 1 18 VAL HA 1 67 VAL MG1 . . 4.610 4.434 4.113 4.601 . 0 0 "[ . 1 . 2]" 1
1549 1 42 VAL HA 1 58 VAL MG1 . . 4.090 3.696 3.325 3.895 . 0 0 "[ . 1 . 2]" 1
1550 1 41 ASP HA 1 58 VAL MG1 . . 5.360 3.973 3.858 4.105 . 0 0 "[ . 1 . 2]" 1
1551 1 43 CYS HA 1 58 VAL MG1 . . 4.160 4.115 3.982 4.161 0.001 15 0 "[ . 1 . 2]" 1
1552 1 57 PHE HA 1 58 VAL MG1 . . 4.050 3.512 3.416 3.583 . 0 0 "[ . 1 . 2]" 1
1553 1 41 ASP H 1 58 VAL MG1 . . 5.500 3.436 3.229 4.908 . 0 0 "[ . 1 . 2]" 1
1554 1 42 VAL HA 1 57 PHE QD . . 3.970 3.094 2.768 3.422 . 0 0 "[ . 1 . 2]" 1
1555 1 48 TYR QE 1 54 VAL HB . . 4.720 4.618 4.431 4.722 0.002 6 0 "[ . 1 . 2]" 1
1556 1 29 TRP HZ3 1 33 LYS QG . . 5.120 3.153 2.676 3.868 . 0 0 "[ . 1 . 2]" 1
1557 1 29 TRP HZ2 1 30 GLN HG2 . . 5.500 3.862 3.217 4.442 . 0 0 "[ . 1 . 2]" 1
1558 1 29 TRP HZ2 1 30 GLN HG3 . . 5.500 2.719 2.419 3.465 . 0 0 "[ . 1 . 2]" 1
1559 1 32 LEU HA 1 75 PHE QD . . 4.140 3.418 3.026 3.661 . 0 0 "[ . 1 . 2]" 1
1560 1 24 PRO HD3 1 75 PHE QE . . 4.110 3.489 2.967 3.997 . 0 0 "[ . 1 . 2]" 1
1561 1 36 MET ME 1 70 LEU MD1 . . 3.150 2.284 2.019 2.680 . 0 0 "[ . 1 . 2]" 1
1562 1 36 MET H 1 36 MET ME . . 4.830 4.356 4.112 4.555 . 0 0 "[ . 1 . 2]" 1
1563 1 36 MET ME 1 37 ARG H . . 5.500 5.314 5.054 5.502 0.002 16 0 "[ . 1 . 2]" 1
1564 1 36 MET ME 1 39 ALA H . . 5.500 4.953 4.567 5.262 . 0 0 "[ . 1 . 2]" 1
1565 1 36 MET ME 1 66 ALA H . . 5.500 5.323 5.054 5.498 . 0 0 "[ . 1 . 2]" 1
1566 1 36 MET ME 1 70 LEU H . . 5.500 4.996 4.688 5.290 . 0 0 "[ . 1 . 2]" 1
1567 1 36 MET ME 1 88 LYS H . . 5.500 5.397 5.227 5.500 . 0 0 "[ . 1 . 2]" 1
1568 1 28 SER H 1 78 HIS HE1 . . 5.440 3.560 2.911 4.795 . 0 0 "[ . 1 . 2]" 1
1569 1 35 HIS HE1 1 75 PHE QD . . 5.400 4.469 3.937 5.261 . 0 0 "[ . 1 . 2]" 1
1570 1 35 HIS HE1 1 75 PHE H . . 5.500 4.980 4.406 5.477 . 0 0 "[ . 1 . 2]" 1
1571 1 35 HIS HE1 1 70 LEU MD2 . . 5.500 4.649 3.888 5.298 . 0 0 "[ . 1 . 2]" 1
1572 1 64 THR HA 1 89 VAL MG1 . . 5.460 5.234 4.880 5.429 . 0 0 "[ . 1 . 2]" 1
1573 1 54 VAL HA 1 55 VAL MG2 . . 3.640 3.465 3.293 3.628 . 0 0 "[ . 1 . 2]" 1
1574 1 32 LEU H 1 47 VAL MG1 . . 4.060 3.926 3.766 4.048 . 0 0 "[ . 1 . 2]" 1
1575 1 23 LEU MD2 1 47 VAL MG2 . . 4.460 4.402 4.073 4.465 0.005 16 0 "[ . 1 . 2]" 1
1576 1 20 VAL MG2 1 53 GLY HA3 . . 3.760 3.547 3.258 3.723 . 0 0 "[ . 1 . 2]" 1
1577 1 9 PRO HA 1 10 PRO QD . . 3.060 2.051 1.999 2.171 . 0 0 "[ . 1 . 2]" 1
1578 1 9 PRO QB 1 10 PRO QD . . 3.320 2.380 2.009 2.548 . 0 0 "[ . 1 . 2]" 1
1579 1 12 ARG QB 1 12 ARG QD . . 2.630 2.091 1.961 2.294 . 0 0 "[ . 1 . 2]" 1
1580 1 12 ARG QB 1 13 ARG H . . 3.700 2.527 1.889 3.380 . 0 0 "[ . 1 . 2]" 1
1581 1 13 ARG H 1 13 ARG QB . . 3.400 2.709 2.103 3.429 0.029 4 0 "[ . 1 . 2]" 1
1582 1 13 ARG H 1 13 ARG QG . . 3.950 3.329 1.907 3.989 0.039 16 0 "[ . 1 . 2]" 1
1583 1 13 ARG QB 1 14 SER H . . 3.400 3.398 3.290 3.457 0.057 11 0 "[ . 1 . 2]" 1
1584 1 13 ARG QG 1 14 SER H . . 5.340 4.943 4.848 4.986 . 0 0 "[ . 1 . 2]" 1
1585 1 14 SER QB 1 15 GLU H . . 3.280 2.279 1.909 2.819 . 0 0 "[ . 1 . 2]" 1
1586 1 14 SER QB 1 16 ASN H . . 3.440 2.635 2.195 3.232 . 0 0 "[ . 1 . 2]" 1
1587 1 14 SER QB 1 16 ASN QD . . 4.340 3.789 2.146 4.332 . 0 0 "[ . 1 . 2]" 1
1588 1 15 GLU H 1 15 GLU QB . . 3.490 2.818 2.180 3.481 . 0 0 "[ . 1 . 2]" 1
1589 1 15 GLU H 1 15 GLU QG . . 3.760 3.110 2.176 3.759 . 0 0 "[ . 1 . 2]" 1
1590 1 15 GLU H 1 17 ARG QB . . 4.510 3.994 3.348 4.425 . 0 0 "[ . 1 . 2]" 1
1591 1 15 GLU HA 1 15 GLU QG . . 3.280 2.545 2.023 3.306 0.026 15 0 "[ . 1 . 2]" 1
1592 1 15 GLU QB 1 16 ASN H . . 4.020 3.438 2.469 4.006 . 0 0 "[ . 1 . 2]" 1
1593 1 15 GLU QB 1 16 ASN HA . . 5.340 4.571 3.754 5.191 . 0 0 "[ . 1 . 2]" 1
1594 1 15 GLU QB 1 17 ARG H . . 5.340 4.611 3.696 5.322 . 0 0 "[ . 1 . 2]" 1
1595 1 15 GLU QG 1 16 ASN H . . 5.200 3.920 2.033 4.706 . 0 0 "[ . 1 . 2]" 1
1596 1 16 ASN H 1 16 ASN QD . . 3.940 2.865 1.907 3.650 . 0 0 "[ . 1 . 2]" 1
1597 1 16 ASN HA 1 17 ARG QB . . 5.340 4.678 4.509 4.782 . 0 0 "[ . 1 . 2]" 1
1598 1 16 ASN HA 1 60 LYS QB . . 5.340 4.396 3.960 5.016 . 0 0 "[ . 1 . 2]" 1
1599 1 16 ASN QB 1 56 GLU QG . . 4.650 2.993 2.406 3.650 . 0 0 "[ . 1 . 2]" 1
1600 1 16 ASN QB 1 57 PHE H . . 3.950 3.147 2.671 3.601 . 0 0 "[ . 1 . 2]" 1
1601 1 16 ASN QB 1 57 PHE QB . . 4.280 3.103 2.674 3.806 . 0 0 "[ . 1 . 2]" 1
1602 1 16 ASN QB 1 60 LYS HA . . 3.620 2.380 2.145 2.600 . 0 0 "[ . 1 . 2]" 1
1603 1 16 ASN QB 1 63 MET HB2 . . 3.940 2.959 2.539 3.387 . 0 0 "[ . 1 . 2]" 1
1604 1 16 ASN QB 1 63 MET HB3 . . 4.020 3.630 3.108 3.993 . 0 0 "[ . 1 . 2]" 1
1605 1 16 ASN QB 1 63 MET ME . . 5.340 4.216 3.882 4.619 . 0 0 "[ . 1 . 2]" 1
1606 1 16 ASN QD 1 60 LYS HA . . 5.250 3.764 2.809 5.038 . 0 0 "[ . 1 . 2]" 1
1607 1 17 ARG QB 1 18 VAL H . . 4.040 3.671 3.518 3.808 . 0 0 "[ . 1 . 2]" 1
1608 1 17 ARG QB 1 90 ASP HB2 . . 4.080 3.214 3.015 3.434 . 0 0 "[ . 1 . 2]" 1
1609 1 17 ARG QB 1 90 ASP HB3 . . 3.830 2.772 2.528 2.921 . 0 0 "[ . 1 . 2]" 1
1610 1 17 ARG HG3 1 56 GLU QB . . 4.320 3.084 2.569 3.609 . 0 0 "[ . 1 . 2]" 1
1611 1 17 ARG QD 1 56 GLU QB . . 5.300 4.485 3.495 5.074 . 0 0 "[ . 1 . 2]" 1
1612 1 19 VAL H 1 88 LYS QG . . 4.690 2.805 2.614 2.978 . 0 0 "[ . 1 . 2]" 1
1613 1 19 VAL HB 1 88 LYS QG . . 4.140 2.458 2.228 2.689 . 0 0 "[ . 1 . 2]" 1
1614 1 19 VAL MG1 1 21 SER QB . . 4.300 3.535 3.380 3.788 . 0 0 "[ . 1 . 2]" 1
1615 1 19 VAL MG1 1 88 LYS QG . . 4.760 3.796 3.609 4.057 . 0 0 "[ . 1 . 2]" 1
1616 1 19 VAL MG2 1 88 LYS QG . . 3.730 3.236 3.013 3.421 . 0 0 "[ . 1 . 2]" 1
1617 1 21 SER H 1 86 ARG QB . . 3.930 3.447 3.133 3.800 . 0 0 "[ . 1 . 2]" 1
1618 1 21 SER QB 1 22 GLY H . . 3.130 2.484 2.315 2.727 . 0 0 "[ . 1 . 2]" 1
1619 1 21 SER QB 1 23 LEU H . . 5.000 4.510 4.330 4.747 . 0 0 "[ . 1 . 2]" 1
1620 1 21 SER QB 1 52 THR HA . . 4.120 3.936 3.790 4.124 0.004 3 0 "[ . 1 . 2]" 1
1621 1 21 SER QB 1 52 THR HB . . 4.890 4.431 4.134 4.647 . 0 0 "[ . 1 . 2]" 1
1622 1 21 SER QB 1 52 THR MG . . 3.160 2.591 2.257 2.774 . 0 0 "[ . 1 . 2]" 1
1623 1 23 LEU HB2 1 51 GLY QA . . 3.740 2.392 2.168 2.683 . 0 0 "[ . 1 . 2]" 1
1624 1 23 LEU HB3 1 51 GLY QA . . 3.980 3.062 2.895 3.149 . 0 0 "[ . 1 . 2]" 1
1625 1 23 LEU MD2 1 27 GLY QA . . 5.070 3.033 2.277 3.833 . 0 0 "[ . 1 . 2]" 1
1626 1 24 PRO HG2 1 77 SER QB . . 4.360 2.998 2.682 3.824 . 0 0 "[ . 1 . 2]" 1
1627 1 24 PRO HG3 1 77 SER QB . . 4.670 2.984 2.564 4.224 . 0 0 "[ . 1 . 2]" 1
1628 1 25 PRO QB 1 26 SER H . . 4.050 3.428 2.877 3.703 . 0 0 "[ . 1 . 2]" 1
1629 1 25 PRO QG 1 26 SER H . . 3.870 2.742 1.960 3.233 . 0 0 "[ . 1 . 2]" 1
1630 1 25 PRO QG 1 26 SER QB . . 4.900 3.752 3.065 4.188 . 0 0 "[ . 1 . 2]" 1
1631 1 26 SER H 1 26 SER QB . . 3.360 2.484 2.077 2.906 . 0 0 "[ . 1 . 2]" 1
1632 1 26 SER QB 1 79 GLU QB . . 3.520 2.795 2.341 3.527 0.007 3 0 "[ . 1 . 2]" 1
1633 1 26 SER QB 1 79 GLU QG . . 3.420 2.162 1.951 2.447 . 0 0 "[ . 1 . 2]" 1
1634 1 27 GLY QA 1 75 PHE QE . . 3.720 2.612 2.180 2.787 . 0 0 "[ . 1 . 2]" 1
1635 1 27 GLY QA 1 75 PHE HZ . . 4.410 3.163 2.907 3.589 . 0 0 "[ . 1 . 2]" 1
1636 1 27 GLY QA 1 77 SER QB . . 4.030 2.194 1.914 2.592 . 0 0 "[ . 1 . 2]" 1
1637 1 28 SER H 1 28 SER QB . . 3.280 2.570 2.388 3.080 . 0 0 "[ . 1 . 2]" 1
1638 1 28 SER H 1 31 ASP QB . . 3.630 2.454 2.203 2.746 . 0 0 "[ . 1 . 2]" 1
1639 1 28 SER H 1 77 SER QB . . 3.740 3.515 3.193 3.720 . 0 0 "[ . 1 . 2]" 1
1640 1 28 SER QB 1 29 TRP H . . 3.420 2.991 2.566 3.417 . 0 0 "[ . 1 . 2]" 1
1641 1 28 SER QB 1 29 TRP HD1 . . 5.340 4.635 4.112 5.215 . 0 0 "[ . 1 . 2]" 1
1642 1 28 SER QB 1 30 GLN H . . 3.480 2.996 2.657 3.415 . 0 0 "[ . 1 . 2]" 1
1643 1 28 SER QB 1 31 ASP H . . 4.970 3.140 2.867 3.853 . 0 0 "[ . 1 . 2]" 1
1644 1 28 SER QB 1 31 ASP QB . . 4.010 3.506 2.904 3.974 . 0 0 "[ . 1 . 2]" 1
1645 1 28 SER QB 1 47 VAL MG2 . . 5.340 3.698 3.341 4.017 . 0 0 "[ . 1 . 2]" 1
1646 1 28 SER QB 1 78 HIS HE1 . . 3.740 2.698 2.029 3.657 . 0 0 "[ . 1 . 2]" 1
1647 1 29 TRP HE3 1 30 GLN QB . . 5.340 4.748 4.420 5.006 . 0 0 "[ . 1 . 2]" 1
1648 1 29 TRP HE3 1 33 LYS QD . . 4.500 3.642 3.362 4.018 . 0 0 "[ . 1 . 2]" 1
1649 1 29 TRP HZ3 1 33 LYS QD . . 3.610 2.037 1.809 2.464 . 0 0 "[ . 1 . 2]" 1
1650 1 29 TRP HZ2 1 30 GLN QG . . 4.810 2.653 2.366 3.118 . 0 0 "[ . 1 . 2]" 1
1651 1 29 TRP HH2 1 30 GLN QG . . 3.710 3.130 2.686 3.419 . 0 0 "[ . 1 . 2]" 1
1652 1 29 TRP HH2 1 33 LYS QD . . 4.540 3.593 3.232 4.088 . 0 0 "[ . 1 . 2]" 1
1653 1 30 GLN H 1 30 GLN QB . . 3.050 2.062 2.043 2.195 . 0 0 "[ . 1 . 2]" 1
1654 1 30 GLN H 1 30 GLN QG . . 3.970 3.373 2.807 3.630 . 0 0 "[ . 1 . 2]" 1
1655 1 30 GLN QG 1 31 ASP H . . 5.220 4.461 4.384 4.530 . 0 0 "[ . 1 . 2]" 1
1656 1 31 ASP H 1 31 ASP QB . . 3.590 2.222 2.119 2.570 . 0 0 "[ . 1 . 2]" 1
1657 1 31 ASP HA 1 34 ASP QB . . 3.270 2.726 2.412 3.223 . 0 0 "[ . 1 . 2]" 1
1658 1 31 ASP QB 1 32 LEU H . . 3.510 2.540 2.241 2.864 . 0 0 "[ . 1 . 2]" 1
1659 1 31 ASP QB 1 34 ASP QB . . 4.530 4.232 3.889 4.485 . 0 0 "[ . 1 . 2]" 1
1660 1 31 ASP QB 1 75 PHE QE . . 4.280 2.742 2.173 3.334 . 0 0 "[ . 1 . 2]" 1
1661 1 32 LEU HA 1 35 HIS QB . . 3.440 3.007 2.731 3.263 . 0 0 "[ . 1 . 2]" 1
1662 1 32 LEU MD1 1 35 HIS QB . . 4.040 3.153 2.872 3.550 . 0 0 "[ . 1 . 2]" 1
1663 1 33 LYS HA 1 36 MET QB . . 4.480 2.582 2.052 3.049 . 0 0 "[ . 1 . 2]" 1
1664 1 33 LYS QD 1 34 ASP H . . 4.890 3.308 2.378 4.263 . 0 0 "[ . 1 . 2]" 1
1665 1 33 LYS QD 1 42 VAL MG1 . . 4.310 3.714 2.802 4.242 . 0 0 "[ . 1 . 2]" 1
1666 1 34 ASP HA 1 37 ARG QG . . 3.570 2.142 1.993 2.415 . 0 0 "[ . 1 . 2]" 1
1667 1 34 ASP QB 1 35 HIS HA . . 4.970 4.002 3.899 4.172 . 0 0 "[ . 1 . 2]" 1
1668 1 34 ASP QB 1 75 PHE QE . . 4.530 4.434 4.309 4.535 0.005 19 0 "[ . 1 . 2]" 1
1669 1 35 HIS H 1 35 HIS QB . . 2.910 2.273 2.166 2.340 . 0 0 "[ . 1 . 2]" 1
1670 1 35 HIS QB 1 36 MET H . . 3.610 2.865 2.543 3.098 . 0 0 "[ . 1 . 2]" 1
1671 1 35 HIS QB 1 75 PHE QD . . 3.350 2.243 2.115 2.496 . 0 0 "[ . 1 . 2]" 1
1672 1 35 HIS QB 1 75 PHE QE . . 4.360 2.739 2.250 3.284 . 0 0 "[ . 1 . 2]" 1
1673 1 36 MET H 1 36 MET QB . . 3.480 2.505 2.276 2.650 . 0 0 "[ . 1 . 2]" 1
1674 1 36 MET QB 1 37 ARG H . . 3.250 3.089 2.877 3.245 . 0 0 "[ . 1 . 2]" 1
1675 1 36 MET QB 1 42 VAL MG2 . . 3.180 2.519 2.158 2.780 . 0 0 "[ . 1 . 2]" 1
1676 1 36 MET QB 1 55 VAL HB . . 5.340 4.075 3.854 4.372 . 0 0 "[ . 1 . 2]" 1
1677 1 36 MET QB 1 55 VAL MG1 . . 3.180 2.694 2.475 2.879 . 0 0 "[ . 1 . 2]" 1
1678 1 36 MET QB 1 57 PHE QE . . 3.580 2.342 1.998 2.753 . 0 0 "[ . 1 . 2]" 1
1679 1 37 ARG H 1 37 ARG QG . . 3.380 2.585 2.218 2.979 . 0 0 "[ . 1 . 2]" 1
1680 1 37 ARG QG 1 38 GLU H . . 4.380 4.254 3.996 4.389 0.009 15 0 "[ . 1 . 2]" 1
1681 1 37 ARG QG 1 42 VAL MG2 . . 5.230 2.501 2.109 2.937 . 0 0 "[ . 1 . 2]" 1
1682 1 38 GLU H 1 38 GLU QB . . 3.280 2.119 2.056 2.184 . 0 0 "[ . 1 . 2]" 1
1683 1 38 GLU H 1 38 GLU QG . . 3.500 3.437 3.103 3.499 . 0 0 "[ . 1 . 2]" 1
1684 1 38 GLU HA 1 38 GLU QG . . 3.300 2.260 2.022 3.201 . 0 0 "[ . 1 . 2]" 1
1685 1 38 GLU QB 1 38 GLU QG . . 2.370 2.028 2.014 2.085 . 0 0 "[ . 1 . 2]" 1
1686 1 38 GLU QB 1 39 ALA H . . 3.510 2.890 2.655 3.263 . 0 0 "[ . 1 . 2]" 1
1687 1 38 GLU QB 1 70 LEU MD1 . . 3.150 2.288 1.874 3.181 0.031 15 0 "[ . 1 . 2]" 1
1688 1 38 GLU QB 1 70 LEU MD2 . . 3.650 2.305 1.852 3.286 . 0 0 "[ . 1 . 2]" 1
1689 1 38 GLU QG 1 39 ALA H . . 4.810 4.203 2.117 4.684 . 0 0 "[ . 1 . 2]" 1
1690 1 38 GLU QG 1 65 TYR QE . . 4.690 4.341 2.394 4.693 0.003 14 0 "[ . 1 . 2]" 1
1691 1 38 GLU QG 1 70 LEU MD1 . . 4.660 3.608 1.837 4.339 . 0 0 "[ . 1 . 2]" 1
1692 1 38 GLU QG 1 70 LEU MD2 . . 3.550 2.885 2.284 3.349 . 0 0 "[ . 1 . 2]" 1
1693 1 39 ALA H 1 40 GLY QA . . 5.340 4.557 4.393 4.676 . 0 0 "[ . 1 . 2]" 1
1694 1 39 ALA MB 1 62 ASP QB . . 4.940 2.060 1.963 2.269 . 0 0 "[ . 1 . 2]" 1
1695 1 39 ALA MB 1 70 LEU QB . . 4.280 3.904 3.660 4.101 . 0 0 "[ . 1 . 2]" 1
1696 1 40 GLY QA 1 41 ASP HA . . 5.290 3.987 3.947 4.230 . 0 0 "[ . 1 . 2]" 1
1697 1 40 GLY QA 1 41 ASP QB . . 4.480 3.946 3.501 4.341 . 0 0 "[ . 1 . 2]" 1
1698 1 40 GLY QA 1 62 ASP QB . . 3.660 2.538 2.303 2.999 . 0 0 "[ . 1 . 2]" 1
1699 1 44 TYR HB2 1 56 GLU QB . . 3.530 3.211 2.993 3.482 . 0 0 "[ . 1 . 2]" 1
1700 1 44 TYR QD 1 56 GLU QB . . 3.660 2.243 1.988 2.444 . 0 0 "[ . 1 . 2]" 1
1701 1 49 ARG QB 1 49 ARG QD . . 2.840 2.093 1.948 2.305 . 0 0 "[ . 1 . 2]" 1
1702 1 51 GLY QA 1 52 THR HA . . 5.170 4.001 3.998 4.006 . 0 0 "[ . 1 . 2]" 1
1703 1 56 GLU H 1 56 GLU QB . . 3.240 2.499 2.359 2.596 . 0 0 "[ . 1 . 2]" 1
1704 1 56 GLU HA 1 57 PHE QB . . 5.340 4.390 4.299 4.499 . 0 0 "[ . 1 . 2]" 1
1705 1 57 PHE H 1 57 PHE QB . . 3.480 2.404 2.306 2.516 . 0 0 "[ . 1 . 2]" 1
1706 1 57 PHE QB 1 58 VAL H . . 3.970 3.337 3.137 3.586 . 0 0 "[ . 1 . 2]" 1
1707 1 57 PHE QB 1 62 ASP QB . . 3.840 2.113 1.991 2.343 . 0 0 "[ . 1 . 2]" 1
1708 1 57 PHE QB 1 63 MET HB2 . . 3.820 2.157 1.987 2.357 . 0 0 "[ . 1 . 2]" 1
1709 1 57 PHE QD 1 62 ASP QB . . 3.840 2.931 2.550 3.437 . 0 0 "[ . 1 . 2]" 1
1710 1 58 VAL MG1 1 59 ARG QB . . 4.020 3.286 2.986 3.451 . 0 0 "[ . 1 . 2]" 1
1711 1 58 VAL MG1 1 59 ARG QD . . 4.750 3.503 2.371 4.702 . 0 0 "[ . 1 . 2]" 1
1712 1 58 VAL MG2 1 59 ARG QG . . 3.020 2.100 1.996 2.262 . 0 0 "[ . 1 . 2]" 1
1713 1 58 VAL MG2 1 59 ARG QD . . 3.970 3.393 2.934 3.967 . 0 0 "[ . 1 . 2]" 1
1714 1 59 ARG H 1 59 ARG QB . . 3.550 2.522 2.386 2.667 . 0 0 "[ . 1 . 2]" 1
1715 1 59 ARG H 1 59 ARG QG . . 3.620 2.922 2.516 3.106 . 0 0 "[ . 1 . 2]" 1
1716 1 59 ARG H 1 62 ASP QB . . 5.240 3.690 3.341 4.033 . 0 0 "[ . 1 . 2]" 1
1717 1 59 ARG QB 1 59 ARG QD . . 3.110 2.185 1.969 2.493 . 0 0 "[ . 1 . 2]" 1
1718 1 59 ARG QB 1 61 GLU H . . 4.840 3.018 2.760 3.304 . 0 0 "[ . 1 . 2]" 1
1719 1 59 ARG QB 1 62 ASP H . . 3.660 2.795 2.563 3.017 . 0 0 "[ . 1 . 2]" 1
1720 1 59 ARG QB 1 62 ASP QB . . 4.850 3.448 2.963 4.028 . 0 0 "[ . 1 . 2]" 1
1721 1 60 LYS H 1 60 LYS QB . . 3.300 2.233 2.135 2.285 . 0 0 "[ . 1 . 2]" 1
1722 1 60 LYS QB 1 60 LYS QD . . 2.390 2.038 1.956 2.207 . 0 0 "[ . 1 . 2]" 1
1723 1 61 GLU HA 1 61 GLU QG . . 3.280 2.206 2.033 2.433 . 0 0 "[ . 1 . 2]" 1
1724 1 61 GLU QG 1 62 ASP H . . 4.660 4.269 3.674 4.460 . 0 0 "[ . 1 . 2]" 1
1725 1 62 ASP H 1 62 ASP QB . . 3.510 2.673 2.470 2.815 . 0 0 "[ . 1 . 2]" 1
1726 1 62 ASP QB 1 63 MET H . . 3.710 2.856 2.664 3.089 . 0 0 "[ . 1 . 2]" 1
1727 1 62 ASP QB 1 63 MET HB2 . . 5.340 4.225 4.153 4.311 . 0 0 "[ . 1 . 2]" 1
1728 1 65 TYR QE 1 69 LYS QD . . 4.240 3.435 3.285 3.557 . 0 0 "[ . 1 . 2]" 1
1729 1 66 ALA HA 1 70 LEU QB . . 3.920 2.363 2.219 2.499 . 0 0 "[ . 1 . 2]" 1
1730 1 66 ALA MB 1 70 LEU QB . . 3.490 2.304 2.170 2.475 . 0 0 "[ . 1 . 2]" 1
1731 1 69 LYS HA 1 69 LYS QD . . 3.100 2.974 2.898 3.084 . 0 0 "[ . 1 . 2]" 1
1732 1 70 LEU H 1 70 LEU QB . . 3.520 2.527 2.438 2.587 . 0 0 "[ . 1 . 2]" 1
1733 1 70 LEU QB 1 70 LEU MD1 . . 3.020 2.066 2.037 2.098 . 0 0 "[ . 1 . 2]" 1
1734 1 70 LEU QB 1 73 THR MG . . 4.360 3.806 3.650 4.011 . 0 0 "[ . 1 . 2]" 1
1735 1 70 LEU QB 1 87 VAL MG2 . . 3.620 2.983 2.873 3.168 . 0 0 "[ . 1 . 2]" 1
1736 1 72 ASN H 1 72 ASN QB . . 3.580 3.069 2.982 3.099 . 0 0 "[ . 1 . 2]" 1
1737 1 72 ASN H 1 86 ARG QB . . 4.920 4.237 3.927 4.443 . 0 0 "[ . 1 . 2]" 1
1738 1 72 ASN H 1 86 ARG QG . . 5.340 3.509 2.950 4.313 . 0 0 "[ . 1 . 2]" 1
1739 1 72 ASN QB 1 86 ARG HA . . 4.640 3.605 3.344 3.836 . 0 0 "[ . 1 . 2]" 1
1740 1 72 ASN QB 1 86 ARG QD . . 5.120 2.514 1.996 3.591 . 0 0 "[ . 1 . 2]" 1
1741 1 74 LYS H 1 74 LYS QB . . 2.940 2.262 2.219 2.289 . 0 0 "[ . 1 . 2]" 1
1742 1 74 LYS HA 1 74 LYS QG . . 3.500 2.479 2.346 2.623 . 0 0 "[ . 1 . 2]" 1
1743 1 74 LYS QB 1 74 LYS QD . . 2.740 2.028 1.965 2.149 . 0 0 "[ . 1 . 2]" 1
1744 1 74 LYS QB 1 74 LYS QE . . 3.200 2.900 2.393 3.196 . 0 0 "[ . 1 . 2]" 1
1745 1 74 LYS QB 1 75 PHE H . . 4.370 3.893 3.847 3.964 . 0 0 "[ . 1 . 2]" 1
1746 1 74 LYS QG 1 75 PHE H . . 4.050 3.041 2.885 3.224 . 0 0 "[ . 1 . 2]" 1
1747 1 74 LYS QG 1 82 THR MG . . 4.250 2.655 2.213 3.074 . 0 0 "[ . 1 . 2]" 1
1748 1 74 LYS QG 1 83 ALA H . . 4.230 2.872 2.456 3.172 . 0 0 "[ . 1 . 2]" 1
1749 1 75 PHE QE 1 77 SER QB . . 3.890 2.565 2.279 3.571 . 0 0 "[ . 1 . 2]" 1
1750 1 76 ARG H 1 76 ARG QB . . 3.410 2.432 2.361 2.480 . 0 0 "[ . 1 . 2]" 1
1751 1 76 ARG H 1 76 ARG QG . . 4.340 4.077 4.039 4.103 . 0 0 "[ . 1 . 2]" 1
1752 1 76 ARG HA 1 76 ARG QG . . 3.670 2.439 2.301 2.558 . 0 0 "[ . 1 . 2]" 1
1753 1 76 ARG QB 1 76 ARG QD . . 2.710 2.104 1.951 2.294 . 0 0 "[ . 1 . 2]" 1
1754 1 76 ARG QB 1 77 SER H . . 4.250 3.648 3.505 3.749 . 0 0 "[ . 1 . 2]" 1
1755 1 76 ARG QB 1 82 THR MG . . 3.690 2.161 1.849 2.727 . 0 0 "[ . 1 . 2]" 1
1756 1 76 ARG QG 1 77 SER H . . 3.800 2.443 2.157 2.821 . 0 0 "[ . 1 . 2]" 1
1757 1 76 ARG QG 1 80 GLY H . . 4.500 3.433 3.257 3.601 . 0 0 "[ . 1 . 2]" 1
1758 1 76 ARG QG 1 80 GLY QA . . 3.640 2.701 2.421 2.791 . 0 0 "[ . 1 . 2]" 1
1759 1 76 ARG QG 1 82 THR HA . . 5.020 3.503 3.108 3.889 . 0 0 "[ . 1 . 2]" 1
1760 1 76 ARG QG 1 82 THR MG . . 3.620 2.254 1.962 2.705 . 0 0 "[ . 1 . 2]" 1
1761 1 76 ARG QD 1 80 GLY QA . . 4.570 2.992 2.302 3.845 . 0 0 "[ . 1 . 2]" 1
1762 1 77 SER H 1 77 SER QB . . 3.620 2.544 2.159 2.876 . 0 0 "[ . 1 . 2]" 1
1763 1 77 SER H 1 81 GLU QB . . 5.290 3.713 3.537 3.959 . 0 0 "[ . 1 . 2]" 1
1764 1 77 SER QB 1 78 HIS H . . 3.960 2.378 2.127 3.132 . 0 0 "[ . 1 . 2]" 1
1765 1 77 SER QB 1 79 GLU H . . 4.000 3.058 2.300 3.593 . 0 0 "[ . 1 . 2]" 1
1766 1 77 SER QB 1 81 GLU H . . 5.100 4.204 3.132 4.606 . 0 0 "[ . 1 . 2]" 1
1767 1 78 HIS QB 1 79 GLU H . . 3.750 3.518 3.295 3.741 . 0 0 "[ . 1 . 2]" 1
1768 1 78 HIS HD2 1 79 GLU QG . . 4.180 2.734 2.026 3.894 . 0 0 "[ . 1 . 2]" 1
1769 1 78 HIS HE1 1 79 GLU QG . . 4.770 3.988 3.485 4.477 . 0 0 "[ . 1 . 2]" 1
1770 1 79 GLU H 1 79 GLU QB . . 3.390 2.361 2.141 2.607 . 0 0 "[ . 1 . 2]" 1
1771 1 79 GLU H 1 80 GLY QA . . 4.920 4.473 4.300 4.577 . 0 0 "[ . 1 . 2]" 1
1772 1 79 GLU HA 1 79 GLU QG . . 3.320 2.802 2.390 3.337 0.017 3 0 "[ . 1 . 2]" 1
1773 1 79 GLU QB 1 80 GLY H . . 4.100 3.159 2.844 3.809 . 0 0 "[ . 1 . 2]" 1
1774 1 79 GLU QB 1 81 GLU H . . 3.550 2.789 2.569 3.505 . 0 0 "[ . 1 . 2]" 1
1775 1 80 GLY H 1 81 GLU QB . . 4.500 4.167 3.960 4.399 . 0 0 "[ . 1 . 2]" 1
1776 1 81 GLU H 1 81 GLU QB . . 3.290 2.108 2.042 2.214 . 0 0 "[ . 1 . 2]" 1
1777 1 81 GLU H 1 81 GLU QG . . 4.040 3.735 3.348 4.054 0.014 11 0 "[ . 1 . 2]" 1
1778 1 81 GLU HA 1 81 GLU QG . . 3.200 2.141 2.003 2.562 . 0 0 "[ . 1 . 2]" 1
1779 1 81 GLU QB 1 82 THR H . . 3.410 3.274 3.030 3.406 . 0 0 "[ . 1 . 2]" 1
1780 1 81 GLU QG 1 82 THR H . . 3.350 2.714 1.924 3.249 . 0 0 "[ . 1 . 2]" 1
1781 1 86 ARG H 1 86 ARG QB . . 3.510 2.386 2.282 2.516 . 0 0 "[ . 1 . 2]" 1
1782 1 86 ARG H 1 86 ARG QG . . 4.220 3.926 3.168 4.182 . 0 0 "[ . 1 . 2]" 1
1783 1 86 ARG HA 1 86 ARG QD . . 3.520 2.857 2.154 3.251 . 0 0 "[ . 1 . 2]" 1
1784 1 86 ARG QB 1 87 VAL H . . 3.870 3.396 2.584 3.763 . 0 0 "[ . 1 . 2]" 1
1785 1 86 ARG QG 1 87 VAL H . . 4.240 2.934 2.200 4.046 . 0 0 "[ . 1 . 2]" 1
1786 1 86 ARG QD 1 87 VAL H . . 4.240 3.371 2.426 4.240 . 0 0 "[ . 1 . 2]" 1
1787 1 88 LYS H 1 88 LYS QG . . 3.670 2.467 2.273 2.643 . 0 0 "[ . 1 . 2]" 1
1788 1 88 LYS HA 1 88 LYS QG . . 3.690 3.356 3.329 3.472 . 0 0 "[ . 1 . 2]" 1
1789 1 88 LYS QE 1 88 LYS QG . . 3.450 2.087 1.964 2.376 . 0 0 "[ . 1 . 2]" 1
1790 1 88 LYS QG 1 89 VAL H . . 4.100 3.709 3.500 4.043 . 0 0 "[ . 1 . 2]" 1
1791 1 89 VAL MG1 1 91 GLY QA . . 5.340 4.186 3.374 4.888 . 0 0 "[ . 1 . 2]" 1
1792 1 89 VAL MG2 1 91 GLY QA . . 5.340 4.062 3.777 4.554 . 0 0 "[ . 1 . 2]" 1
1793 1 91 GLY QA 1 92 PRO QG . . 4.230 3.675 3.659 3.700 . 0 0 "[ . 1 . 2]" 1
1794 1 91 GLY QA 1 92 PRO QD . . 2.510 1.960 1.908 2.034 . 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 6
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 337.488
_Distance_constraint_stats_list.Viol_max 0.241
_Distance_constraint_stats_list.Viol_rms 0.0551
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1406
_Distance_constraint_stats_list.Viol_average_violations_only 0.1406
_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 73 THR 6.448 0.241 8 0 "[ . 1 . 2]"
1 75 PHE 4.538 0.195 18 0 "[ . 1 . 2]"
1 77 SER 5.888 0.240 9 0 "[ . 1 . 2]"
1 81 GLU 5.888 0.240 9 0 "[ . 1 . 2]"
1 83 ALA 4.538 0.195 18 0 "[ . 1 . 2]"
1 85 ILE 6.448 0.241 8 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 77 SER H 1 81 GLU O . . 1.800 1.923 1.810 2.000 0.200 6 0 "[ . 1 . 2]" 2
2 1 77 SER N 1 81 GLU O . . 2.700 2.871 2.766 2.940 0.240 9 0 "[ . 1 . 2]" 2
3 1 75 PHE O 1 83 ALA H . . 1.800 1.931 1.868 1.995 0.195 18 0 "[ . 1 . 2]" 2
4 1 75 PHE O 1 83 ALA N . . 2.700 2.796 2.727 2.874 0.174 6 0 "[ . 1 . 2]" 2
5 1 73 THR O 1 85 ILE H . . 1.800 1.939 1.839 1.996 0.196 8 0 "[ . 1 . 2]" 2
6 1 73 THR O 1 85 ILE N . . 2.700 2.883 2.787 2.941 0.241 8 0 "[ . 1 . 2]" 2
stop_
save_
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