NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599670 |
2n9j   |
25908 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9j
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 1716
_Distance_constraint_stats_list.Viol_count 451
_Distance_constraint_stats_list.Viol_total 53.935
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0060
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.007 0.002 16 0 "[ . 1 . 2]"
1 2 ASP 0.020 0.005 11 0 "[ . 1 . 2]"
1 3 VAL 0.290 0.037 8 0 "[ . 1 . 2]"
1 4 GLU 0.284 0.037 8 0 "[ . 1 . 2]"
1 5 LYS 0.044 0.016 13 0 "[ . 1 . 2]"
1 6 GLY 0.049 0.007 11 0 "[ . 1 . 2]"
1 7 LYS 0.169 0.019 18 0 "[ . 1 . 2]"
1 8 LYS 0.007 0.003 18 0 "[ . 1 . 2]"
1 9 ILE 0.025 0.005 15 0 "[ . 1 . 2]"
1 10 PHE 0.011 0.005 14 0 "[ . 1 . 2]"
1 11 ILE 0.008 0.008 18 0 "[ . 1 . 2]"
1 12 MET 0.010 0.005 14 0 "[ . 1 . 2]"
1 13 LYS 0.029 0.006 18 0 "[ . 1 . 2]"
1 14 CYS 0.007 0.004 14 0 "[ . 1 . 2]"
1 15 SER 0.016 0.008 18 0 "[ . 1 . 2]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 0.060 0.015 16 0 "[ . 1 . 2]"
1 18 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.032 0.012 14 0 "[ . 1 . 2]"
1 20 VAL 0.108 0.019 14 0 "[ . 1 . 2]"
1 21 GLU 0.014 0.009 14 0 "[ . 1 . 2]"
1 22 LYS 0.002 0.002 10 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.003 0.002 10 0 "[ . 1 . 2]"
1 25 LYS 0.079 0.019 9 0 "[ . 1 . 2]"
1 26 HIS 0.077 0.014 9 0 "[ . 1 . 2]"
1 27 LYS 0.306 0.045 12 0 "[ . 1 . 2]"
1 28 THR 0.178 0.045 12 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PRO 0.543 0.129 20 0 "[ . 1 . 2]"
1 31 ASN 0.736 0.129 20 0 "[ . 1 . 2]"
1 32 LEU 0.016 0.004 14 0 "[ . 1 . 2]"
1 33 HIS 0.010 0.004 14 0 "[ . 1 . 2]"
1 34 GLY 0.005 0.004 16 0 "[ . 1 . 2]"
1 35 LEU 0.004 0.002 14 0 "[ . 1 . 2]"
1 36 PHE 0.007 0.002 14 0 "[ . 1 . 2]"
1 37 GLY 0.001 0.001 13 0 "[ . 1 . 2]"
1 38 ARG 0.002 0.001 4 0 "[ . 1 . 2]"
1 39 LYS 0.001 0.001 15 0 "[ . 1 . 2]"
1 40 THR 0.002 0.001 1 0 "[ . 1 . 2]"
1 41 GLY 0.002 0.001 1 0 "[ . 1 . 2]"
1 42 GLN 0.002 0.001 9 0 "[ . 1 . 2]"
1 43 ALA 0.006 0.002 17 0 "[ . 1 . 2]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 0.004 0.002 18 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TYR 0.007 0.002 17 0 "[ . 1 . 2]"
1 49 THR 0.003 0.001 17 0 "[ . 1 . 2]"
1 50 ALA 0.002 0.001 14 0 "[ . 1 . 2]"
1 51 ALA 0.005 0.001 14 0 "[ . 1 . 2]"
1 52 ASN 0.005 0.001 19 0 "[ . 1 . 2]"
1 53 LYS 0.004 0.002 4 0 "[ . 1 . 2]"
1 54 ASN 0.001 0.000 18 0 "[ . 1 . 2]"
1 55 LYS 0.004 0.001 4 0 "[ . 1 . 2]"
1 56 GLY 0.002 0.001 1 0 "[ . 1 . 2]"
1 57 ILE 0.004 0.002 15 0 "[ . 1 . 2]"
1 58 ILE 0.001 0.001 13 0 "[ . 1 . 2]"
1 59 TRP 0.001 0.001 15 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.002 0.001 15 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 THR 0.001 0.000 19 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 11 0 "[ . 1 . 2]"
1 65 MET 0.029 0.013 19 0 "[ . 1 . 2]"
1 66 GLU 0.098 0.027 18 0 "[ . 1 . 2]"
1 67 TYR 0.002 0.002 16 0 "[ . 1 . 2]"
1 68 LEU 0.119 0.050 19 0 "[ . 1 . 2]"
1 69 GLU 0.021 0.011 15 0 "[ . 1 . 2]"
1 70 ASN 0.001 0.001 16 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.050 0.047 16 0 "[ . 1 . 2]"
1 73 LYS 0.073 0.067 16 0 "[ . 1 . 2]"
1 74 TYR 0.011 0.007 15 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 4 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 4 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 0.004 0.001 19 0 "[ . 1 . 2]"
1 79 LYS 0.001 0.001 17 0 "[ . 1 . 2]"
1 80 MET 0.001 0.001 17 0 "[ . 1 . 2]"
1 81 ILE 0.044 0.028 12 0 "[ . 1 . 2]"
1 82 PHE 0.008 0.008 15 0 "[ . 1 . 2]"
1 83 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 84 GLY 0.001 0.001 19 0 "[ . 1 . 2]"
1 85 ILE 0.013 0.008 15 0 "[ . 1 . 2]"
1 86 LYS 0.001 0.001 11 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LYS 0.040 0.021 15 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLU 0.022 0.010 4 0 "[ . 1 . 2]"
1 91 ARG 0.184 0.050 19 0 "[ . 1 . 2]"
1 92 ALA 0.010 0.004 15 0 "[ . 1 . 2]"
1 93 ASP 0.004 0.001 17 0 "[ . 1 . 2]"
1 94 LEU 0.048 0.014 15 0 "[ . 1 . 2]"
1 95 ILE 0.050 0.014 15 0 "[ . 1 . 2]"
1 96 ALA 0.050 0.024 14 0 "[ . 1 . 2]"
1 97 TYR 0.432 0.028 14 0 "[ . 1 . 2]"
1 98 LEU 0.023 0.005 14 0 "[ . 1 . 2]"
1 99 LYS 0.168 0.057 14 0 "[ . 1 . 2]"
1 100 LYS 0.019 0.004 18 0 "[ . 1 . 2]"
1 101 ALA 0.023 0.007 14 0 "[ . 1 . 2]"
1 102 THR 0.008 0.004 16 0 "[ . 1 . 2]"
1 103 ASN 0.001 0.001 3 0 "[ . 1 . 2]"
1 104 GLU 0.001 0.001 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 92 ALA MB . . 4.280 4.207 3.842 4.282 0.002 16 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 93 ASP HA . . 3.680 3.476 2.919 3.681 0.001 11 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 96 ALA MB . . 3.390 2.394 1.942 2.763 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY HA2 1 92 ALA MB . . 5.120 4.767 4.066 5.119 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA2 1 93 ASP HA . . 4.520 3.971 3.559 4.520 0.000 11 0 "[ . 1 . 2]" 1
6 1 1 GLY HA2 1 96 ALA MB . . 3.970 3.470 3.126 3.933 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY HA3 1 92 ALA MB . . 5.120 4.738 4.164 5.116 . 0 0 "[ . 1 . 2]" 1
8 1 1 GLY HA3 1 93 ASP HA . . 4.520 3.918 3.037 4.486 . 0 0 "[ . 1 . 2]" 1
9 1 1 GLY HA3 1 96 ALA MB . . 3.970 2.446 1.956 2.823 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP H 1 93 ASP HA . . 4.500 4.460 4.087 4.501 0.001 3 0 "[ . 1 . 2]" 1
11 1 2 ASP HA 1 3 VAL H . . 2.870 2.467 2.251 2.748 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP HA 1 3 VAL HA . . 4.740 4.436 4.380 4.485 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP HA 1 3 VAL QG . . 4.310 3.192 3.055 3.299 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP HA 1 4 GLU H . . 5.040 4.333 3.831 4.764 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP HA 1 5 LYS H . . 5.160 4.978 4.620 5.165 0.005 11 0 "[ . 1 . 2]" 1
16 1 2 ASP HA 1 96 ALA MB . . 4.770 4.396 3.941 4.771 0.001 11 0 "[ . 1 . 2]" 1
17 1 2 ASP QB 1 3 VAL H . . 4.480 2.801 1.987 3.708 . 0 0 "[ . 1 . 2]" 1
18 1 2 ASP QB 1 5 LYS QB . . 3.410 2.456 2.102 2.728 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP QB 1 96 ALA MB . . 4.730 4.604 4.277 4.732 0.002 3 0 "[ . 1 . 2]" 1
20 1 2 ASP HB2 1 5 LYS H . . 4.620 3.535 2.535 4.484 . 0 0 "[ . 1 . 2]" 1
21 1 2 ASP HB2 1 5 LYS QB . . 3.880 2.859 2.230 3.880 . 1 0 "[ . 1 . 2]" 1
22 1 2 ASP HB3 1 5 LYS H . . 4.620 2.881 2.416 4.178 . 0 0 "[ . 1 . 2]" 1
23 1 2 ASP HB3 1 5 LYS QB . . 3.880 3.098 2.119 3.883 0.003 9 0 "[ . 1 . 2]" 1
24 1 3 VAL H 1 3 VAL HB . . 3.530 3.447 3.273 3.535 0.005 3 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 3 VAL MG1 . . 3.670 2.351 1.840 3.388 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 3 VAL QG . . 2.980 1.870 1.835 1.920 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL H 1 3 VAL MG2 . . 3.670 2.671 1.847 3.606 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL H 1 4 GLU H . . 3.670 2.189 1.974 2.440 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL H 1 4 GLU HA . . 5.030 4.723 4.566 4.960 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL H 1 96 ALA MB . . 5.130 4.579 4.042 5.094 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL HA 1 3 VAL MG1 . . 3.190 2.584 1.969 3.149 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HA 1 3 VAL MG2 . . 3.190 2.965 2.594 3.172 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HA 1 6 GLY H . . 4.430 3.190 3.043 3.328 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL HA 1 6 GLY HA3 . . 4.490 3.793 3.645 3.981 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL HA 1 7 LYS H . . 4.500 4.285 4.193 4.411 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL HA 1 96 ALA MB . . 4.020 3.166 2.734 3.678 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL HA 1 97 TYR H . . 3.870 3.457 3.114 3.788 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL HA 1 97 TYR HA . . 3.900 3.218 2.824 3.475 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL HA 1 97 TYR QB . . 4.530 1.985 1.977 2.000 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL HA 1 97 TYR HD1 . . 4.950 4.450 4.286 4.610 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL HB 1 4 GLU H . . 4.280 3.812 3.105 4.190 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL HB 1 97 TYR HA . . 4.140 2.515 1.999 3.599 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 4 GLU H . . 3.530 1.947 1.894 2.130 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL QG 1 4 GLU HA . . 5.020 3.161 2.820 3.729 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL QG 1 4 GLU QG . . 3.980 2.653 2.364 3.483 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL QG 1 6 GLY HA3 . . 5.040 4.645 4.141 4.969 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL QG 1 97 TYR H . . 4.480 3.836 3.111 4.243 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL QG 1 97 TYR HA . . 3.110 2.280 1.768 2.676 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL QG 1 97 TYR QB . . 3.790 2.359 1.951 2.908 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL QG 1 97 TYR HD1 . . 3.530 2.430 1.855 3.076 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL QG 1 97 TYR HD2 . . 4.790 4.459 3.768 4.818 0.028 14 0 "[ . 1 . 2]" 1
52 1 3 VAL QG 1 97 TYR HE1 . . 4.590 3.875 3.206 4.578 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL QG 1 100 LYS QB . . 3.320 2.635 2.200 3.226 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL QG 1 100 LYS QD . . 3.070 2.419 2.016 2.907 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL QG 1 100 LYS QE . . 5.000 3.299 1.715 4.391 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL MG1 1 4 GLU H . . 4.100 3.171 1.920 4.137 0.037 8 0 "[ . 1 . 2]" 1
57 1 3 VAL MG1 1 97 TYR HA . . 4.370 2.802 1.770 3.959 . 0 0 "[ . 1 . 2]" 1
58 1 3 VAL MG1 1 100 LYS HD2 . . 4.580 2.905 2.162 3.941 . 0 0 "[ . 1 . 2]" 1
59 1 3 VAL MG1 1 100 LYS HD3 . . 4.580 3.055 2.221 4.268 . 0 0 "[ . 1 . 2]" 1
60 1 3 VAL MG2 1 4 GLU H . . 4.100 2.301 1.913 3.231 . 0 0 "[ . 1 . 2]" 1
61 1 3 VAL MG2 1 97 TYR HA . . 4.370 3.420 2.253 4.341 . 0 0 "[ . 1 . 2]" 1
62 1 3 VAL MG2 1 100 LYS HD2 . . 4.580 3.962 3.079 4.582 0.002 14 0 "[ . 1 . 2]" 1
63 1 3 VAL MG2 1 100 LYS HD3 . . 4.580 3.830 2.931 4.581 0.001 15 0 "[ . 1 . 2]" 1
64 1 4 GLU H 1 4 GLU HB2 . . 3.750 2.555 2.269 3.531 . 0 0 "[ . 1 . 2]" 1
65 1 4 GLU H 1 4 GLU QB . . 2.960 2.437 2.242 2.732 . 0 0 "[ . 1 . 2]" 1
66 1 4 GLU H 1 4 GLU HB3 . . 3.750 3.475 2.841 3.561 . 0 0 "[ . 1 . 2]" 1
67 1 4 GLU H 1 4 GLU HG2 . . 3.650 2.797 2.008 3.673 0.023 12 0 "[ . 1 . 2]" 1
68 1 4 GLU H 1 4 GLU HG3 . . 3.650 2.707 1.992 3.672 0.022 12 0 "[ . 1 . 2]" 1
69 1 4 GLU HA 1 4 GLU HG2 . . 3.750 2.713 2.223 3.749 . 0 0 "[ . 1 . 2]" 1
70 1 4 GLU HA 1 4 GLU QG . . 3.190 2.485 2.174 3.227 0.037 11 0 "[ . 1 . 2]" 1
71 1 4 GLU HA 1 4 GLU HG3 . . 3.750 3.260 2.346 3.728 . 0 0 "[ . 1 . 2]" 1
72 1 4 GLU HA 1 7 LYS H . . 4.050 2.926 2.741 3.071 . 0 0 "[ . 1 . 2]" 1
73 1 4 GLU HA 1 7 LYS HB2 . . 3.920 2.536 2.158 2.790 . 0 0 "[ . 1 . 2]" 1
74 1 4 GLU HA 1 7 LYS HB3 . . 3.560 2.227 1.997 2.536 . 0 0 "[ . 1 . 2]" 1
75 1 4 GLU HA 1 8 LYS H . . 5.000 4.128 3.595 4.631 . 0 0 "[ . 1 . 2]" 1
76 1 4 GLU QB 1 4 GLU QG . . 2.300 2.089 2.024 2.134 . 0 0 "[ . 1 . 2]" 1
77 1 4 GLU QB 1 5 LYS H . . 3.470 2.592 2.305 3.059 . 0 0 "[ . 1 . 2]" 1
78 1 4 GLU HB2 1 5 LYS H . . 3.960 2.668 2.351 3.196 . 0 0 "[ . 1 . 2]" 1
79 1 4 GLU HB3 1 5 LYS H . . 3.960 3.553 3.182 3.976 0.016 13 0 "[ . 1 . 2]" 1
80 1 5 LYS H 1 5 LYS QB . . 3.350 2.200 2.088 2.456 . 0 0 "[ . 1 . 2]" 1
81 1 5 LYS H 1 5 LYS QD . . 4.620 2.942 1.880 4.547 . 0 0 "[ . 1 . 2]" 1
82 1 5 LYS H 1 5 LYS HG2 . . 4.240 3.225 2.062 4.094 . 0 0 "[ . 1 . 2]" 1
83 1 5 LYS H 1 5 LYS QG . . 3.540 2.954 2.048 3.527 . 0 0 "[ . 1 . 2]" 1
84 1 5 LYS H 1 5 LYS HG3 . . 4.240 3.715 3.482 3.913 . 0 0 "[ . 1 . 2]" 1
85 1 5 LYS H 1 6 GLY H . . 3.410 2.726 2.419 2.914 . 0 0 "[ . 1 . 2]" 1
86 1 5 LYS HA 1 5 LYS QD . . 3.020 2.306 1.943 3.000 . 0 0 "[ . 1 . 2]" 1
87 1 5 LYS HA 1 5 LYS QE . . 4.280 3.707 1.877 4.242 . 0 0 "[ . 1 . 2]" 1
88 1 5 LYS HA 1 5 LYS HG2 . . 3.800 3.103 2.398 3.615 . 0 0 "[ . 1 . 2]" 1
89 1 5 LYS HA 1 5 LYS QG . . 3.110 2.442 2.078 3.007 . 0 0 "[ . 1 . 2]" 1
90 1 5 LYS HA 1 5 LYS HG3 . . 3.800 2.964 2.096 3.679 . 0 0 "[ . 1 . 2]" 1
91 1 5 LYS QB 1 6 GLY H . . 3.620 2.899 2.604 3.180 . 0 0 "[ . 1 . 2]" 1
92 1 5 LYS QB 1 6 GLY HA3 . . 4.590 4.347 4.244 4.468 . 0 0 "[ . 1 . 2]" 1
93 1 5 LYS QB 1 93 ASP QB . . 3.980 2.611 2.200 3.305 . 0 0 "[ . 1 . 2]" 1
94 1 5 LYS QD 1 5 LYS QG . . 2.430 2.105 1.996 2.134 . 0 0 "[ . 1 . 2]" 1
95 1 5 LYS QD 1 6 GLY H . . 5.270 4.614 4.059 5.254 . 0 0 "[ . 1 . 2]" 1
96 1 5 LYS QE 1 5 LYS HG2 . . 3.440 2.782 2.106 3.441 0.001 6 0 "[ . 1 . 2]" 1
97 1 5 LYS QE 1 5 LYS QG . . 2.970 2.361 2.082 2.919 . 0 0 "[ . 1 . 2]" 1
98 1 5 LYS QE 1 5 LYS HG3 . . 3.440 2.742 2.173 3.329 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLY H 1 7 LYS H . . 3.410 2.301 2.118 2.506 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLY H 1 93 ASP QB . . 4.110 3.193 2.546 4.050 . 0 0 "[ . 1 . 2]" 1
101 1 6 GLY H 1 97 TYR QB . . 4.820 3.392 3.160 3.545 . 0 0 "[ . 1 . 2]" 1
102 1 6 GLY HA2 1 9 ILE H . . 4.630 3.193 2.895 3.683 . 0 0 "[ . 1 . 2]" 1
103 1 6 GLY HA2 1 9 ILE HB . . 4.130 2.375 1.996 2.664 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLY HA2 1 9 ILE MD . . 3.670 2.686 2.105 3.196 . 0 0 "[ . 1 . 2]" 1
105 1 6 GLY HA2 1 93 ASP QB . . 4.320 3.397 2.915 4.038 . 0 0 "[ . 1 . 2]" 1
106 1 6 GLY HA2 1 94 LEU HA . . 3.410 2.656 2.211 3.260 . 0 0 "[ . 1 . 2]" 1
107 1 6 GLY HA2 1 97 TYR H . . 5.500 5.434 5.131 5.507 0.007 11 0 "[ . 1 . 2]" 1
108 1 6 GLY HA2 1 97 TYR HB2 . . 5.100 4.907 4.607 5.106 0.006 10 0 "[ . 1 . 2]" 1
109 1 6 GLY HA2 1 97 TYR QB . . 4.410 4.093 3.904 4.228 . 0 0 "[ . 1 . 2]" 1
110 1 6 GLY HA2 1 97 TYR HB3 . . 5.100 4.393 4.146 4.667 . 0 0 "[ . 1 . 2]" 1
111 1 6 GLY HA3 1 9 ILE HB . . 4.500 4.019 3.729 4.292 . 0 0 "[ . 1 . 2]" 1
112 1 6 GLY HA3 1 9 ILE MD . . 4.670 4.118 3.632 4.584 . 0 0 "[ . 1 . 2]" 1
113 1 6 GLY HA3 1 9 ILE MG . . 5.220 4.880 4.477 5.204 . 0 0 "[ . 1 . 2]" 1
114 1 6 GLY HA3 1 93 ASP QB . . 3.930 3.289 2.874 3.846 . 0 0 "[ . 1 . 2]" 1
115 1 6 GLY HA3 1 94 LEU HB2 . . 4.750 3.902 3.446 4.303 . 0 0 "[ . 1 . 2]" 1
116 1 6 GLY HA3 1 94 LEU QD . . 4.860 3.208 2.509 3.752 . 0 0 "[ . 1 . 2]" 1
117 1 6 GLY HA3 1 97 TYR HB2 . . 4.430 3.243 2.907 3.459 . 0 0 "[ . 1 . 2]" 1
118 1 6 GLY HA3 1 97 TYR HB3 . . 4.430 2.780 2.488 3.073 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS H 1 7 LYS HB2 . . 3.530 2.465 2.275 2.678 . 0 0 "[ . 1 . 2]" 1
120 1 7 LYS H 1 7 LYS HB3 . . 3.420 2.536 2.322 2.723 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS H 1 7 LYS QD . . 4.840 4.387 4.218 4.752 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS H 1 7 LYS HG2 . . 4.780 4.546 4.498 4.602 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS H 1 7 LYS HG3 . . 4.780 4.327 4.251 4.373 . 0 0 "[ . 1 . 2]" 1
124 1 7 LYS H 1 8 LYS H . . 3.630 2.509 2.334 2.891 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS H 1 97 TYR QB . . 3.710 3.587 3.414 3.694 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS HA 1 7 LYS QD . . 3.680 3.250 2.390 3.621 . 0 0 "[ . 1 . 2]" 1
127 1 7 LYS HA 1 7 LYS HG2 . . 3.930 3.429 3.169 3.831 . 0 0 "[ . 1 . 2]" 1
128 1 7 LYS HA 1 7 LYS QG . . 3.280 2.344 2.086 2.875 . 0 0 "[ . 1 . 2]" 1
129 1 7 LYS HA 1 7 LYS HG3 . . 3.930 2.389 2.114 2.971 . 0 0 "[ . 1 . 2]" 1
130 1 7 LYS HA 1 9 ILE H . . 4.950 4.397 3.938 4.931 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS HA 1 10 PHE H . . 4.200 3.407 3.200 3.582 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS HA 1 10 PHE HA . . 5.500 5.311 5.130 5.499 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS HA 1 10 PHE HB2 . . 4.020 3.498 3.216 3.806 . 0 0 "[ . 1 . 2]" 1
134 1 7 LYS HA 1 10 PHE QB . . 3.380 2.356 2.210 2.514 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS HA 1 10 PHE HB3 . . 4.020 2.396 2.239 2.554 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS HA 1 11 ILE H . . 5.150 4.556 3.946 4.898 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS HA 1 97 TYR QB . . 4.710 4.002 3.793 4.365 . 0 0 "[ . 1 . 2]" 1
138 1 7 LYS HA 1 97 TYR HD2 . . 4.070 2.513 2.319 2.817 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS HA 1 97 TYR HE1 . . 5.050 5.052 4.981 5.069 0.019 18 0 "[ . 1 . 2]" 1
140 1 7 LYS HA 1 97 TYR HE2 . . 4.270 2.209 2.043 2.339 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS HB2 1 7 LYS QD . . 2.710 2.257 2.079 2.533 . 0 0 "[ . 1 . 2]" 1
142 1 7 LYS HB2 1 7 LYS QE . . 4.100 3.442 2.011 4.089 . 0 0 "[ . 1 . 2]" 1
143 1 7 LYS HB2 1 8 LYS H . . 4.310 3.973 3.529 4.269 . 0 0 "[ . 1 . 2]" 1
144 1 7 LYS HB2 1 97 TYR HD1 . . 4.450 4.445 4.323 4.459 0.009 18 0 "[ . 1 . 2]" 1
145 1 7 LYS HB2 1 97 TYR HD2 . . 4.360 3.946 3.810 4.047 . 0 0 "[ . 1 . 2]" 1
146 1 7 LYS HB2 1 97 TYR HE1 . . 4.700 4.600 4.475 4.701 0.001 7 0 "[ . 1 . 2]" 1
147 1 7 LYS HB3 1 8 LYS H . . 3.260 2.908 2.175 3.259 . 0 0 "[ . 1 . 2]" 1
148 1 7 LYS HB3 1 97 TYR HE2 . . 5.290 4.984 4.863 5.122 . 0 0 "[ . 1 . 2]" 1
149 1 7 LYS QD 1 97 TYR HD1 . . 4.080 3.896 3.485 4.081 0.001 16 0 "[ . 1 . 2]" 1
150 1 7 LYS QD 1 97 TYR HE1 . . 4.000 2.817 2.416 3.130 . 0 0 "[ . 1 . 2]" 1
151 1 7 LYS QD 1 101 ALA MB . . 4.490 4.472 4.338 4.497 0.007 14 0 "[ . 1 . 2]" 1
152 1 7 LYS QE 1 7 LYS HG2 . . 3.610 2.618 2.123 3.214 . 0 0 "[ . 1 . 2]" 1
153 1 7 LYS QE 1 7 LYS HG3 . . 3.610 3.024 2.555 3.576 . 0 0 "[ . 1 . 2]" 1
154 1 7 LYS QE 1 97 TYR HE1 . . 4.320 4.069 3.438 4.320 . 0 0 "[ . 1 . 2]" 1
155 1 7 LYS QG 1 8 LYS H . . 4.380 3.956 2.871 4.334 . 0 0 "[ . 1 . 2]" 1
156 1 7 LYS HG2 1 8 LYS H . . 4.980 4.476 3.631 4.983 0.003 18 0 "[ . 1 . 2]" 1
157 1 7 LYS HG3 1 8 LYS H . . 4.980 4.493 3.009 4.962 . 0 0 "[ . 1 . 2]" 1
158 1 8 LYS H 1 8 LYS QB . . 3.100 2.310 2.163 2.449 . 0 0 "[ . 1 . 2]" 1
159 1 8 LYS H 1 8 LYS QE . . 5.430 4.771 3.669 5.409 . 0 0 "[ . 1 . 2]" 1
160 1 8 LYS H 1 8 LYS HG2 . . 4.060 2.679 2.000 4.062 0.002 12 0 "[ . 1 . 2]" 1
161 1 8 LYS H 1 8 LYS QG . . 3.420 2.586 1.981 3.421 0.001 2 0 "[ . 1 . 2]" 1
162 1 8 LYS H 1 8 LYS HG3 . . 4.060 3.660 3.216 4.026 . 0 0 "[ . 1 . 2]" 1
163 1 8 LYS H 1 9 ILE H . . 3.540 2.419 2.144 2.834 . 0 0 "[ . 1 . 2]" 1
164 1 8 LYS HA 1 8 LYS QD . . 3.090 2.203 1.950 3.035 . 0 0 "[ . 1 . 2]" 1
165 1 8 LYS HA 1 8 LYS QE . . 4.450 3.751 1.979 4.286 . 0 0 "[ . 1 . 2]" 1
166 1 8 LYS HA 1 8 LYS HG2 . . 3.740 2.837 2.427 3.636 . 0 0 "[ . 1 . 2]" 1
167 1 8 LYS HA 1 8 LYS QG . . 2.950 2.646 2.161 2.947 . 0 0 "[ . 1 . 2]" 1
168 1 8 LYS HA 1 8 LYS HG3 . . 3.740 3.550 2.182 3.741 0.001 17 0 "[ . 1 . 2]" 1
169 1 8 LYS HA 1 11 ILE H . . 3.890 3.402 3.190 3.630 . 0 0 "[ . 1 . 2]" 1
170 1 8 LYS HA 1 11 ILE HB . . 3.700 2.950 2.438 3.364 . 0 0 "[ . 1 . 2]" 1
171 1 8 LYS HA 1 11 ILE MD . . 3.590 2.730 1.981 3.550 . 0 0 "[ . 1 . 2]" 1
172 1 8 LYS HA 1 11 ILE HG13 . . 4.240 3.803 3.334 4.117 . 0 0 "[ . 1 . 2]" 1
173 1 8 LYS HA 1 12 MET H . . 5.160 4.187 3.402 4.719 . 0 0 "[ . 1 . 2]" 1
174 1 8 LYS QB 1 8 LYS QD . . 3.270 2.419 2.101 2.884 . 0 0 "[ . 1 . 2]" 1
175 1 8 LYS QB 1 8 LYS QE . . 4.500 3.061 1.910 3.817 . 0 0 "[ . 1 . 2]" 1
176 1 8 LYS QB 1 9 ILE H . . 3.630 2.839 2.425 3.240 . 0 0 "[ . 1 . 2]" 1
177 1 8 LYS QD 1 8 LYS HG2 . . 2.630 2.302 2.190 2.518 . 0 0 "[ . 1 . 2]" 1
178 1 8 LYS QD 1 8 LYS QG . . 2.220 2.088 2.015 2.134 . 0 0 "[ . 1 . 2]" 1
179 1 8 LYS QD 1 8 LYS HG3 . . 2.630 2.414 2.189 2.505 . 0 0 "[ . 1 . 2]" 1
180 1 8 LYS QE 1 8 LYS QG . . 3.180 2.353 2.081 2.927 . 0 0 "[ . 1 . 2]" 1
181 1 9 ILE H 1 9 ILE HB . . 3.020 2.283 2.143 2.395 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE H 1 9 ILE MD . . 3.970 3.349 2.946 3.692 . 0 0 "[ . 1 . 2]" 1
183 1 9 ILE H 1 9 ILE QG . . 2.950 2.483 2.064 2.772 . 0 0 "[ . 1 . 2]" 1
184 1 9 ILE H 1 9 ILE MG . . 4.300 3.668 3.584 3.721 . 0 0 "[ . 1 . 2]" 1
185 1 9 ILE H 1 10 PHE H . . 3.510 2.458 2.110 2.834 . 0 0 "[ . 1 . 2]" 1
186 1 9 ILE H 1 11 ILE H . . 4.900 3.947 3.751 4.239 . 0 0 "[ . 1 . 2]" 1
187 1 9 ILE H 1 94 LEU QD . . 4.970 4.182 3.627 4.813 . 0 0 "[ . 1 . 2]" 1
188 1 9 ILE HA 1 9 ILE MD . . 3.890 3.816 3.763 3.863 . 0 0 "[ . 1 . 2]" 1
189 1 9 ILE HA 1 9 ILE HG12 . . 4.250 2.652 2.464 2.856 . 0 0 "[ . 1 . 2]" 1
190 1 9 ILE HA 1 9 ILE QG . . 3.510 2.346 2.255 2.424 . 0 0 "[ . 1 . 2]" 1
191 1 9 ILE HA 1 9 ILE HG13 . . 4.250 2.635 2.500 2.788 . 0 0 "[ . 1 . 2]" 1
192 1 9 ILE HA 1 9 ILE MG . . 3.310 2.502 2.412 2.607 . 0 0 "[ . 1 . 2]" 1
193 1 9 ILE HA 1 11 ILE H . . 4.760 3.913 3.565 4.389 . 0 0 "[ . 1 . 2]" 1
194 1 9 ILE HA 1 12 MET H . . 4.280 3.725 3.114 4.155 . 0 0 "[ . 1 . 2]" 1
195 1 9 ILE HA 1 12 MET HB2 . . 4.490 2.949 2.196 3.752 . 0 0 "[ . 1 . 2]" 1
196 1 9 ILE HA 1 12 MET QB . . 3.670 2.860 2.178 3.225 . 0 0 "[ . 1 . 2]" 1
197 1 9 ILE HA 1 12 MET HB3 . . 4.490 4.232 3.244 4.491 0.001 9 0 "[ . 1 . 2]" 1
198 1 9 ILE HA 1 13 LYS H . . 4.780 4.100 3.800 4.444 . 0 0 "[ . 1 . 2]" 1
199 1 9 ILE HA 1 13 LYS HB2 . . 4.890 4.490 4.234 4.839 . 0 0 "[ . 1 . 2]" 1
200 1 9 ILE HA 1 13 LYS QE . . 5.410 4.295 3.099 5.411 0.001 5 0 "[ . 1 . 2]" 1
201 1 9 ILE HA 1 13 LYS QG . . 4.890 3.813 2.848 4.891 0.001 11 0 "[ . 1 . 2]" 1
202 1 9 ILE HB 1 9 ILE MD . . 2.780 2.124 1.991 2.250 . 0 0 "[ . 1 . 2]" 1
203 1 9 ILE HB 1 9 ILE QG . . 2.520 2.452 2.391 2.509 . 0 0 "[ . 1 . 2]" 1
204 1 9 ILE HB 1 10 PHE H . . 3.510 3.100 2.635 3.474 . 0 0 "[ . 1 . 2]" 1
205 1 9 ILE HB 1 10 PHE HA . . 5.290 4.594 4.446 4.737 . 0 0 "[ . 1 . 2]" 1
206 1 9 ILE HB 1 94 LEU QD . . 3.360 3.088 2.470 3.365 0.005 15 0 "[ . 1 . 2]" 1
207 1 9 ILE MD 1 9 ILE MG . . 3.320 2.284 2.040 2.486 . 0 0 "[ . 1 . 2]" 1
208 1 9 ILE MD 1 10 PHE H . . 5.270 4.718 4.477 4.967 . 0 0 "[ . 1 . 2]" 1
209 1 9 ILE MD 1 90 GLU HA . . 3.520 3.090 2.428 3.510 . 0 0 "[ . 1 . 2]" 1
210 1 9 ILE MD 1 90 GLU HB2 . . 4.610 3.976 3.462 4.465 . 0 0 "[ . 1 . 2]" 1
211 1 9 ILE MD 1 90 GLU QB . . 3.920 2.847 1.960 3.846 . 0 0 "[ . 1 . 2]" 1
212 1 9 ILE MD 1 90 GLU HB3 . . 4.610 2.993 1.971 4.223 . 0 0 "[ . 1 . 2]" 1
213 1 9 ILE MD 1 90 GLU QG . . 3.510 2.290 1.800 3.395 . 0 0 "[ . 1 . 2]" 1
214 1 9 ILE MD 1 93 ASP QB . . 3.560 3.323 2.904 3.555 . 0 0 "[ . 1 . 2]" 1
215 1 9 ILE MD 1 94 LEU H . . 4.400 4.096 3.498 4.380 . 0 0 "[ . 1 . 2]" 1
216 1 9 ILE MD 1 94 LEU HA . . 4.490 4.428 3.770 4.493 0.003 4 0 "[ . 1 . 2]" 1
217 1 9 ILE HG12 1 9 ILE MG . . 3.400 2.272 2.148 2.421 . 0 0 "[ . 1 . 2]" 1
218 1 9 ILE HG13 1 9 ILE MG . . 3.400 3.203 3.153 3.233 . 0 0 "[ . 1 . 2]" 1
219 1 9 ILE MG 1 10 PHE H . . 4.180 3.608 3.084 3.936 . 0 0 "[ . 1 . 2]" 1
220 1 9 ILE MG 1 13 LYS H . . 4.400 4.204 3.857 4.403 0.003 17 0 "[ . 1 . 2]" 1
221 1 9 ILE MG 1 13 LYS HB2 . . 3.320 3.150 2.716 3.321 0.001 15 0 "[ . 1 . 2]" 1
222 1 9 ILE MG 1 13 LYS HD2 . . 4.790 2.389 1.814 3.279 . 0 0 "[ . 1 . 2]" 1
223 1 9 ILE MG 1 13 LYS QD . . 3.960 2.201 1.684 3.123 . 0 0 "[ . 1 . 2]" 1
224 1 9 ILE MG 1 13 LYS HD3 . . 4.790 3.175 1.820 4.078 . 0 0 "[ . 1 . 2]" 1
225 1 9 ILE MG 1 13 LYS QE . . 4.310 2.732 1.669 4.249 . 0 0 "[ . 1 . 2]" 1
226 1 9 ILE MG 1 13 LYS QG . . 4.410 2.921 1.887 3.937 . 0 0 "[ . 1 . 2]" 1
227 1 9 ILE MG 1 85 ILE MD . . 3.430 3.090 2.369 3.417 . 0 0 "[ . 1 . 2]" 1
228 1 9 ILE MG 1 90 GLU QG . . 4.390 3.560 2.332 4.345 . 0 0 "[ . 1 . 2]" 1
229 1 9 ILE MG 1 94 LEU H . . 4.620 4.575 4.453 4.622 0.002 7 0 "[ . 1 . 2]" 1
230 1 9 ILE MG 1 94 LEU HA . . 4.650 4.326 3.932 4.620 . 0 0 "[ . 1 . 2]" 1
231 1 9 ILE MG 1 94 LEU HB2 . . 2.990 2.779 2.498 2.993 0.003 15 0 "[ . 1 . 2]" 1
232 1 9 ILE MG 1 94 LEU QD . . 3.480 2.381 1.768 3.098 . 0 0 "[ . 1 . 2]" 1
233 1 10 PHE H 1 10 PHE HB2 . . 3.420 2.720 2.509 2.924 . 0 0 "[ . 1 . 2]" 1
234 1 10 PHE H 1 10 PHE HB3 . . 3.420 2.074 2.014 2.195 . 0 0 "[ . 1 . 2]" 1
235 1 10 PHE H 1 10 PHE HD1 . . 5.060 4.850 4.733 4.966 . 0 0 "[ . 1 . 2]" 1
236 1 10 PHE H 1 11 ILE H . . 3.710 2.496 2.285 2.720 . 0 0 "[ . 1 . 2]" 1
237 1 10 PHE H 1 12 MET H . . 4.800 4.559 3.750 4.801 0.001 5 0 "[ . 1 . 2]" 1
238 1 10 PHE H 1 94 LEU QD . . 3.910 3.066 2.565 3.642 . 0 0 "[ . 1 . 2]" 1
239 1 10 PHE HA 1 10 PHE HD1 . . 4.700 2.873 2.704 3.101 . 0 0 "[ . 1 . 2]" 1
240 1 10 PHE HA 1 10 PHE HD2 . . 4.820 4.521 4.345 4.660 . 0 0 "[ . 1 . 2]" 1
241 1 10 PHE HA 1 13 LYS H . . 5.010 3.768 3.070 3.994 . 0 0 "[ . 1 . 2]" 1
242 1 10 PHE HA 1 13 LYS HB2 . . 4.460 3.129 2.703 3.532 . 0 0 "[ . 1 . 2]" 1
243 1 10 PHE HA 1 14 CYS H . . 4.040 3.086 2.363 3.483 . 0 0 "[ . 1 . 2]" 1
244 1 10 PHE HA 1 14 CYS HB2 . . 4.540 3.771 3.257 3.985 . 0 0 "[ . 1 . 2]" 1
245 1 10 PHE HA 1 94 LEU QD . . 3.510 2.388 2.020 2.666 . 0 0 "[ . 1 . 2]" 1
246 1 10 PHE HA 1 98 LEU HG . . 5.500 5.342 4.948 5.505 0.005 14 0 "[ . 1 . 2]" 1
247 1 10 PHE QB 1 11 ILE H . . 3.500 2.947 2.574 3.113 . 0 0 "[ . 1 . 2]" 1
248 1 10 PHE QB 1 94 LEU QD . . 3.160 1.990 1.862 2.206 . 0 0 "[ . 1 . 2]" 1
249 1 10 PHE QB 1 94 LEU HG . . 5.340 3.960 2.590 4.389 . 0 0 "[ . 1 . 2]" 1
250 1 10 PHE QB 1 97 TYR HD2 . . 3.960 2.533 2.314 2.783 . 0 0 "[ . 1 . 2]" 1
251 1 10 PHE QB 1 97 TYR HE2 . . 3.670 2.184 1.936 2.503 . 0 0 "[ . 1 . 2]" 1
252 1 10 PHE QB 1 98 LEU QD . . 4.630 3.190 2.687 3.645 . 0 0 "[ . 1 . 2]" 1
253 1 10 PHE HB2 1 97 TYR HE2 . . 4.200 2.864 2.252 3.486 . 0 0 "[ . 1 . 2]" 1
254 1 10 PHE HB3 1 97 TYR HE2 . . 4.200 2.276 2.016 2.617 . 0 0 "[ . 1 . 2]" 1
255 1 10 PHE HD1 1 94 LEU QD . . 4.850 2.661 2.165 3.463 . 0 0 "[ . 1 . 2]" 1
256 1 10 PHE HD1 1 98 LEU QD . . 4.570 2.475 2.022 2.866 . 0 0 "[ . 1 . 2]" 1
257 1 10 PHE HD2 1 94 LEU QD . . 4.900 4.777 4.618 4.903 0.003 15 0 "[ . 1 . 2]" 1
258 1 10 PHE HD2 1 98 LEU QD . . 5.030 4.519 3.718 5.011 . 0 0 "[ . 1 . 2]" 1
259 1 10 PHE HZ 1 19 THR HA . . 4.770 3.502 2.560 4.222 . 0 0 "[ . 1 . 2]" 1
260 1 10 PHE HZ 1 20 VAL MG1 . . 3.840 2.262 1.834 3.290 . 0 0 "[ . 1 . 2]" 1
261 1 11 ILE H 1 11 ILE HB . . 3.160 2.297 2.181 2.385 . 0 0 "[ . 1 . 2]" 1
262 1 11 ILE H 1 11 ILE MD . . 4.060 3.558 3.143 3.869 . 0 0 "[ . 1 . 2]" 1
263 1 11 ILE H 1 11 ILE HG12 . . 4.040 3.801 3.557 3.988 . 0 0 "[ . 1 . 2]" 1
264 1 11 ILE H 1 11 ILE HG13 . . 3.500 2.550 2.270 2.849 . 0 0 "[ . 1 . 2]" 1
265 1 11 ILE H 1 11 ILE MG . . 4.000 3.676 3.578 3.724 . 0 0 "[ . 1 . 2]" 1
266 1 11 ILE H 1 12 MET H . . 3.600 2.625 2.169 2.823 . 0 0 "[ . 1 . 2]" 1
267 1 11 ILE HA 1 11 ILE MD . . 4.290 3.808 3.731 3.856 . 0 0 "[ . 1 . 2]" 1
268 1 11 ILE HA 1 11 ILE HG12 . . 3.730 2.548 2.344 2.759 . 0 0 "[ . 1 . 2]" 1
269 1 11 ILE HA 1 11 ILE HG13 . . 3.570 2.792 2.561 2.980 . 0 0 "[ . 1 . 2]" 1
270 1 11 ILE HA 1 11 ILE MG . . 3.380 2.518 2.416 2.615 . 0 0 "[ . 1 . 2]" 1
271 1 11 ILE HA 1 15 SER H . . 4.340 4.105 3.716 4.340 . 0 0 "[ . 1 . 2]" 1
272 1 11 ILE HA 1 15 SER HA . . 4.750 2.750 2.010 3.191 . 0 0 "[ . 1 . 2]" 1
273 1 11 ILE HA 1 15 SER QB . . 3.590 2.871 1.987 3.598 0.008 18 0 "[ . 1 . 2]" 1
274 1 11 ILE HB 1 11 ILE MD . . 3.170 2.233 2.077 2.359 . 0 0 "[ . 1 . 2]" 1
275 1 11 ILE HB 1 12 MET H . . 3.700 2.421 2.087 3.474 . 0 0 "[ . 1 . 2]" 1
276 1 11 ILE MD 1 12 MET H . . 5.050 4.262 4.023 5.030 . 0 0 "[ . 1 . 2]" 1
277 1 11 ILE HG12 1 11 ILE MG . . 3.570 2.369 2.145 2.513 . 0 0 "[ . 1 . 2]" 1
278 1 11 ILE HG12 1 12 MET H . . 5.460 4.963 4.789 5.406 . 0 0 "[ . 1 . 2]" 1
279 1 11 ILE HG13 1 11 ILE MG . . 3.390 3.225 3.174 3.241 . 0 0 "[ . 1 . 2]" 1
280 1 11 ILE HG13 1 12 MET H . . 4.640 4.405 4.208 4.585 . 0 0 "[ . 1 . 2]" 1
281 1 11 ILE MG 1 12 MET H . . 4.130 2.887 2.308 3.970 . 0 0 "[ . 1 . 2]" 1
282 1 11 ILE MG 1 12 MET HA . . 3.820 3.128 2.884 3.781 . 0 0 "[ . 1 . 2]" 1
283 1 11 ILE MG 1 15 SER QB . . 4.500 2.153 1.790 3.166 . 0 0 "[ . 1 . 2]" 1
284 1 12 MET H 1 12 MET HB2 . . 3.530 2.218 2.062 2.355 . 0 0 "[ . 1 . 2]" 1
285 1 12 MET H 1 12 MET QB . . 2.980 2.192 2.024 2.322 . 0 0 "[ . 1 . 2]" 1
286 1 12 MET H 1 12 MET HB3 . . 3.530 3.428 2.918 3.530 . 0 0 "[ . 1 . 2]" 1
287 1 12 MET H 1 12 MET ME . . 5.330 4.552 3.490 5.264 . 0 0 "[ . 1 . 2]" 1
288 1 12 MET H 1 12 MET HG2 . . 4.300 3.288 2.305 4.299 . 0 0 "[ . 1 . 2]" 1
289 1 12 MET H 1 12 MET QG . . 3.700 2.813 2.281 3.677 . 0 0 "[ . 1 . 2]" 1
290 1 12 MET H 1 12 MET HG3 . . 4.300 3.414 2.554 4.066 . 0 0 "[ . 1 . 2]" 1
291 1 12 MET H 1 13 LYS H . . 3.240 2.775 2.032 2.970 . 0 0 "[ . 1 . 2]" 1
292 1 12 MET HA 1 12 MET HG2 . . 3.890 2.627 2.176 3.614 . 0 0 "[ . 1 . 2]" 1
293 1 12 MET HA 1 12 MET HG3 . . 3.890 3.145 2.161 3.686 . 0 0 "[ . 1 . 2]" 1
294 1 12 MET HB2 1 13 LYS H . . 4.010 3.266 2.942 3.795 . 0 0 "[ . 1 . 2]" 1
295 1 12 MET HB2 1 13 LYS QG . . 4.380 3.588 2.903 4.364 . 0 0 "[ . 1 . 2]" 1
296 1 12 MET HB3 1 13 LYS H . . 4.010 3.692 3.050 4.015 0.005 14 0 "[ . 1 . 2]" 1
297 1 12 MET HB3 1 13 LYS QG . . 4.380 3.301 2.561 3.583 . 0 0 "[ . 1 . 2]" 1
298 1 13 LYS H 1 13 LYS HB2 . . 3.320 2.464 2.266 2.641 . 0 0 "[ . 1 . 2]" 1
299 1 13 LYS H 1 13 LYS HB3 . . 4.070 3.618 3.450 3.723 . 0 0 "[ . 1 . 2]" 1
300 1 13 LYS H 1 13 LYS QD . . 4.380 4.165 3.463 4.376 . 0 0 "[ . 1 . 2]" 1
301 1 13 LYS H 1 13 LYS QG . . 3.370 2.902 2.357 3.376 0.006 18 0 "[ . 1 . 2]" 1
302 1 13 LYS H 1 14 CYS H . . 3.060 2.185 1.901 2.551 . 0 0 "[ . 1 . 2]" 1
303 1 13 LYS H 1 15 SER H . . 5.200 4.474 3.659 4.909 . 0 0 "[ . 1 . 2]" 1
304 1 13 LYS HA 1 13 LYS HD2 . . 4.860 4.461 4.035 4.861 0.001 5 0 "[ . 1 . 2]" 1
305 1 13 LYS HA 1 13 LYS QD . . 4.260 3.805 2.973 4.171 . 0 0 "[ . 1 . 2]" 1
306 1 13 LYS HA 1 13 LYS HD3 . . 4.860 4.165 3.060 4.625 . 0 0 "[ . 1 . 2]" 1
307 1 13 LYS HA 1 13 LYS QG . . 3.410 2.346 2.169 2.806 . 0 0 "[ . 1 . 2]" 1
308 1 13 LYS HB2 1 13 LYS QE . . 3.830 3.677 2.896 3.834 0.004 8 0 "[ . 1 . 2]" 1
309 1 13 LYS HB2 1 14 CYS H . . 4.300 2.689 2.168 2.939 . 0 0 "[ . 1 . 2]" 1
310 1 13 LYS HB3 1 13 LYS QE . . 4.470 3.617 2.368 4.329 . 0 0 "[ . 1 . 2]" 1
311 1 13 LYS HB3 1 14 CYS H . . 4.820 3.479 2.621 4.029 . 0 0 "[ . 1 . 2]" 1
312 1 13 LYS HB3 1 82 PHE QD . . 4.940 4.099 3.033 4.848 . 0 0 "[ . 1 . 2]" 1
313 1 13 LYS HB3 1 82 PHE QE . . 4.560 2.727 2.011 3.681 . 0 0 "[ . 1 . 2]" 1
314 1 13 LYS HB3 1 82 PHE HZ . . 4.630 3.841 3.099 4.569 . 0 0 "[ . 1 . 2]" 1
315 1 13 LYS QD 1 82 PHE QE . . 4.220 2.682 2.011 3.804 . 0 0 "[ . 1 . 2]" 1
316 1 13 LYS QD 1 82 PHE HZ . . 4.190 2.699 1.998 4.174 . 0 0 "[ . 1 . 2]" 1
317 1 13 LYS QD 1 85 ILE MD . . 3.900 2.976 2.152 3.900 . 0 0 "[ . 1 . 2]" 1
318 1 13 LYS HD2 1 82 PHE QE . . 4.790 3.846 3.194 4.725 . 0 0 "[ . 1 . 2]" 1
319 1 13 LYS HD2 1 82 PHE HZ . . 4.760 3.783 2.596 4.717 . 0 0 "[ . 1 . 2]" 1
320 1 13 LYS HD2 1 85 ILE MD . . 4.760 3.437 2.492 4.604 . 0 0 "[ . 1 . 2]" 1
321 1 13 LYS HD3 1 82 PHE QE . . 4.790 2.837 2.029 4.477 . 0 0 "[ . 1 . 2]" 1
322 1 13 LYS HD3 1 82 PHE HZ . . 4.760 2.845 2.018 4.700 . 0 0 "[ . 1 . 2]" 1
323 1 13 LYS HD3 1 85 ILE MD . . 4.760 3.313 2.310 4.211 . 0 0 "[ . 1 . 2]" 1
324 1 13 LYS QE 1 13 LYS QG . . 3.050 2.168 2.044 2.613 . 0 0 "[ . 1 . 2]" 1
325 1 13 LYS QG 1 14 CYS H . . 4.520 4.149 3.784 4.327 . 0 0 "[ . 1 . 2]" 1
326 1 14 CYS H 1 14 CYS HB2 . . 4.020 3.007 2.849 3.128 . 0 0 "[ . 1 . 2]" 1
327 1 14 CYS H 1 15 SER H . . 3.580 3.521 3.366 3.584 0.004 14 0 "[ . 1 . 2]" 1
328 1 14 CYS HA 1 15 SER H . . 3.580 2.486 2.373 2.723 . 0 0 "[ . 1 . 2]" 1
329 1 14 CYS HB2 1 15 SER H . . 4.510 4.407 4.374 4.437 . 0 0 "[ . 1 . 2]" 1
330 1 14 CYS HB2 1 15 SER HA . . 4.790 4.542 4.467 4.766 . 0 0 "[ . 1 . 2]" 1
331 1 14 CYS HB3 1 15 SER H . . 4.720 4.390 4.261 4.608 . 0 0 "[ . 1 . 2]" 1
332 1 15 SER H 1 15 SER HB2 . . 4.130 3.301 2.588 3.617 . 0 0 "[ . 1 . 2]" 1
333 1 15 SER H 1 15 SER QB . . 3.380 2.656 2.177 3.096 . 0 0 "[ . 1 . 2]" 1
334 1 15 SER H 1 15 SER HB3 . . 4.130 2.851 2.232 3.392 . 0 0 "[ . 1 . 2]" 1
335 1 15 SER H 1 16 GLN H . . 4.860 4.181 2.004 4.578 . 0 0 "[ . 1 . 2]" 1
336 1 15 SER HA 1 17 CYS H . . 4.810 3.720 3.181 4.802 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLN H 1 16 GLN QG . . 4.420 2.716 1.912 3.944 . 0 0 "[ . 1 . 2]" 1
338 1 16 GLN H 1 17 CYS H . . 4.430 2.919 1.899 3.325 . 0 0 "[ . 1 . 2]" 1
339 1 16 GLN HA 1 16 GLN QG . . 3.710 2.591 2.083 3.333 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLN HA 1 17 CYS HA . . 4.610 4.401 4.364 4.608 . 0 0 "[ . 1 . 2]" 1
341 1 16 GLN QB 1 17 CYS H . . 4.240 3.888 2.813 4.124 . 0 0 "[ . 1 . 2]" 1
342 1 16 GLN HB2 1 17 CYS H . . 4.900 4.324 4.103 4.596 . 0 0 "[ . 1 . 2]" 1
343 1 16 GLN HB3 1 17 CYS H . . 4.900 4.456 2.865 4.712 . 0 0 "[ . 1 . 2]" 1
344 1 16 GLN QG 1 17 CYS H . . 4.850 4.437 3.633 4.843 . 0 0 "[ . 1 . 2]" 1
345 1 17 CYS H 1 18 HIS H . . 3.310 2.147 1.900 2.806 . 0 0 "[ . 1 . 2]" 1
346 1 17 CYS HA 1 27 LYS HB2 . . 4.730 4.287 3.639 4.730 0.000 20 0 "[ . 1 . 2]" 1
347 1 17 CYS HA 1 27 LYS QB . . 4.040 3.469 2.601 3.979 . 0 0 "[ . 1 . 2]" 1
348 1 17 CYS HA 1 27 LYS HB3 . . 4.730 3.756 2.653 4.592 . 0 0 "[ . 1 . 2]" 1
349 1 17 CYS HA 1 27 LYS QE . . 4.710 3.823 3.174 4.256 . 0 0 "[ . 1 . 2]" 1
350 1 17 CYS HA 1 28 THR HB . . 3.670 2.658 2.000 3.682 0.012 2 0 "[ . 1 . 2]" 1
351 1 17 CYS HA 1 29 GLY H . . 4.170 3.665 2.705 4.092 . 0 0 "[ . 1 . 2]" 1
352 1 17 CYS QB 1 28 THR HB . . 4.430 3.529 2.482 4.445 0.015 16 0 "[ . 1 . 2]" 1
353 1 17 CYS QB 1 29 GLY H . . 5.340 4.342 3.597 4.912 . 0 0 "[ . 1 . 2]" 1
354 1 18 HIS H 1 19 THR MG . . 5.050 4.616 4.260 4.993 . 0 0 "[ . 1 . 2]" 1
355 1 18 HIS HA 1 19 THR H . . 3.440 2.435 2.189 2.736 . 0 0 "[ . 1 . 2]" 1
356 1 18 HIS QB 1 19 THR H . . 4.700 2.652 2.042 3.584 . 0 0 "[ . 1 . 2]" 1
357 1 19 THR H 1 19 THR MG . . 3.740 2.916 2.415 3.301 . 0 0 "[ . 1 . 2]" 1
358 1 19 THR H 1 31 ASN HA . . 3.830 2.866 2.026 3.643 . 0 0 "[ . 1 . 2]" 1
359 1 19 THR HA 1 19 THR MG . . 3.190 2.307 2.192 2.438 . 0 0 "[ . 1 . 2]" 1
360 1 19 THR HA 1 20 VAL H . . 3.610 2.954 2.212 3.593 . 0 0 "[ . 1 . 2]" 1
361 1 19 THR HA 1 20 VAL HA . . 5.500 4.851 4.353 5.321 . 0 0 "[ . 1 . 2]" 1
362 1 19 THR HA 1 20 VAL MG1 . . 4.290 3.698 3.088 4.292 0.002 18 0 "[ . 1 . 2]" 1
363 1 19 THR HA 1 20 VAL MG2 . . 4.240 3.580 3.236 4.175 . 0 0 "[ . 1 . 2]" 1
364 1 19 THR HA 1 21 GLU H . . 4.850 4.105 3.675 4.826 . 0 0 "[ . 1 . 2]" 1
365 1 19 THR HB 1 20 VAL H . . 3.890 3.330 2.343 3.902 0.012 14 0 "[ . 1 . 2]" 1
366 1 19 THR HB 1 20 VAL MG2 . . 4.800 4.598 4.176 4.796 . 0 0 "[ . 1 . 2]" 1
367 1 19 THR HB 1 21 GLU H . . 4.180 3.274 2.443 4.180 0.000 5 0 "[ . 1 . 2]" 1
368 1 19 THR HB 1 24 GLY QA . . 4.430 2.811 1.811 3.971 . 0 0 "[ . 1 . 2]" 1
369 1 19 THR HB 1 31 ASN HD21 . . 4.640 3.118 2.017 4.557 . 0 0 "[ . 1 . 2]" 1
370 1 19 THR HB 1 31 ASN HD22 . . 4.640 3.143 2.124 4.167 . 0 0 "[ . 1 . 2]" 1
371 1 19 THR MG 1 20 VAL H . . 4.160 3.896 3.623 4.149 . 0 0 "[ . 1 . 2]" 1
372 1 19 THR MG 1 24 GLY QA . . 4.510 3.147 2.021 4.185 . 0 0 "[ . 1 . 2]" 1
373 1 19 THR MG 1 25 LYS H . . 4.110 3.377 1.889 4.112 0.002 10 0 "[ . 1 . 2]" 1
374 1 19 THR MG 1 25 LYS QG . . 4.350 3.866 2.931 4.362 0.012 18 0 "[ . 1 . 2]" 1
375 1 19 THR MG 1 31 ASN HA . . 4.260 3.971 3.385 4.261 0.001 14 0 "[ . 1 . 2]" 1
376 1 19 THR MG 1 31 ASN QD . . 4.420 3.405 2.866 4.159 . 0 0 "[ . 1 . 2]" 1
377 1 20 VAL H 1 20 VAL MG1 . . 3.770 2.615 2.207 2.993 . 0 0 "[ . 1 . 2]" 1
378 1 20 VAL H 1 20 VAL MG2 . . 3.460 2.728 1.933 3.422 . 0 0 "[ . 1 . 2]" 1
379 1 20 VAL H 1 21 GLU H . . 3.630 2.374 1.897 2.954 . 0 0 "[ . 1 . 2]" 1
380 1 20 VAL H 1 31 ASN QB . . 5.340 5.203 4.416 5.353 0.013 20 0 "[ . 1 . 2]" 1
381 1 20 VAL H 1 31 ASN QD . . 4.940 3.693 2.986 4.654 . 0 0 "[ . 1 . 2]" 1
382 1 20 VAL HA 1 20 VAL MG1 . . 3.260 2.413 2.281 2.500 . 0 0 "[ . 1 . 2]" 1
383 1 20 VAL HA 1 31 ASN QD . . 4.910 4.012 2.657 4.913 0.003 18 0 "[ . 1 . 2]" 1
384 1 20 VAL HA 1 32 LEU H . . 4.650 2.960 2.125 3.652 . 0 0 "[ . 1 . 2]" 1
385 1 20 VAL HA 1 32 LEU QB . . 4.400 2.896 1.912 4.223 . 0 0 "[ . 1 . 2]" 1
386 1 20 VAL HB 1 98 LEU HA . . 4.890 4.464 3.639 4.891 0.001 15 0 "[ . 1 . 2]" 1
387 1 20 VAL HB 1 98 LEU QD . . 4.320 3.515 2.551 4.285 . 0 0 "[ . 1 . 2]" 1
388 1 20 VAL HB 1 101 ALA MB . . 3.890 2.200 1.933 2.661 . 0 0 "[ . 1 . 2]" 1
389 1 20 VAL HB 1 102 THR HA . . 5.500 4.746 3.369 5.496 . 0 0 "[ . 1 . 2]" 1
390 1 20 VAL HB 1 102 THR MG . . 3.740 3.256 2.418 3.742 0.002 9 0 "[ . 1 . 2]" 1
391 1 20 VAL MG1 1 32 LEU H . . 4.520 3.633 2.987 4.118 . 0 0 "[ . 1 . 2]" 1
392 1 20 VAL MG1 1 32 LEU QB . . 3.680 2.476 1.761 3.299 . 0 0 "[ . 1 . 2]" 1
393 1 20 VAL MG1 1 32 LEU QD . . 3.990 2.641 1.741 3.902 . 0 0 "[ . 1 . 2]" 1
394 1 20 VAL MG1 1 97 TYR HE1 . . 5.170 5.006 4.361 5.183 0.013 14 0 "[ . 1 . 2]" 1
395 1 20 VAL MG1 1 97 TYR HE2 . . 4.320 4.237 3.987 4.339 0.019 14 0 "[ . 1 . 2]" 1
396 1 20 VAL MG1 1 98 LEU QD . . 3.620 2.173 1.649 2.640 . 0 0 "[ . 1 . 2]" 1
397 1 20 VAL MG2 1 21 GLU H . . 3.980 2.971 1.838 3.982 0.002 9 0 "[ . 1 . 2]" 1
398 1 20 VAL MG2 1 21 GLU HA . . 4.240 3.529 3.014 4.007 . 0 0 "[ . 1 . 2]" 1
399 1 20 VAL MG2 1 21 GLU QG . . 4.420 3.428 2.702 4.429 0.009 14 0 "[ . 1 . 2]" 1
400 1 20 VAL MG2 1 97 TYR HE1 . . 4.810 3.654 3.040 4.199 . 0 0 "[ . 1 . 2]" 1
401 1 20 VAL MG2 1 97 TYR HE2 . . 4.650 4.004 3.114 4.650 . 0 0 "[ . 1 . 2]" 1
402 1 21 GLU H 1 21 GLU QG . . 4.390 2.454 1.921 4.001 . 0 0 "[ . 1 . 2]" 1
403 1 21 GLU HA 1 21 GLU QG . . 3.740 2.995 2.068 3.333 . 0 0 "[ . 1 . 2]" 1
404 1 21 GLU HA 1 22 LYS H . . 3.410 2.364 2.203 2.750 . 0 0 "[ . 1 . 2]" 1
405 1 21 GLU QB 1 22 LYS H . . 3.940 2.847 1.966 3.848 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLU QB 1 23 GLY H . . 5.020 3.291 2.395 5.020 . 0 0 "[ . 1 . 2]" 1
407 1 21 GLU QB 1 24 GLY H . . 4.600 3.210 1.902 4.445 . 0 0 "[ . 1 . 2]" 1
408 1 21 GLU QB 1 24 GLY HA2 . . 5.500 4.247 2.553 5.494 . 0 0 "[ . 1 . 2]" 1
409 1 21 GLU QB 1 24 GLY QA . . 4.680 3.335 1.917 4.365 . 0 0 "[ . 1 . 2]" 1
410 1 21 GLU QB 1 24 GLY HA3 . . 5.500 3.515 1.966 4.612 . 0 0 "[ . 1 . 2]" 1
411 1 21 GLU QG 1 22 LYS H . . 4.520 3.974 2.904 4.485 . 0 0 "[ . 1 . 2]" 1
412 1 21 GLU QG 1 24 GLY H . . 4.510 3.009 1.773 4.496 . 0 0 "[ . 1 . 2]" 1
413 1 21 GLU QG 1 24 GLY HA2 . . 4.430 3.661 2.071 4.431 0.001 20 0 "[ . 1 . 2]" 1
414 1 21 GLU QG 1 24 GLY HA3 . . 4.430 2.856 1.997 4.111 . 0 0 "[ . 1 . 2]" 1
415 1 22 LYS H 1 22 LYS HB2 . . 3.890 2.719 2.132 3.697 . 0 0 "[ . 1 . 2]" 1
416 1 22 LYS H 1 22 LYS HB3 . . 3.890 2.816 2.242 3.719 . 0 0 "[ . 1 . 2]" 1
417 1 22 LYS H 1 22 LYS QG . . 4.820 3.091 1.871 4.036 . 0 0 "[ . 1 . 2]" 1
418 1 22 LYS HA 1 22 LYS QD . . 4.520 3.630 1.923 4.269 . 0 0 "[ . 1 . 2]" 1
419 1 22 LYS HA 1 22 LYS HG2 . . 3.980 3.146 2.147 3.957 . 0 0 "[ . 1 . 2]" 1
420 1 22 LYS HA 1 22 LYS QG . . 3.330 2.647 2.064 3.321 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS HA 1 22 LYS HG3 . . 3.980 3.086 2.096 3.831 . 0 0 "[ . 1 . 2]" 1
422 1 22 LYS HA 1 24 GLY H . . 4.400 3.932 3.526 4.402 0.002 10 0 "[ . 1 . 2]" 1
423 1 22 LYS HA 1 31 ASN QD . . 4.870 4.059 3.546 4.585 . 0 0 "[ . 1 . 2]" 1
424 1 22 LYS QD 1 33 HIS HE1 . . 4.780 3.862 2.203 4.769 . 0 0 "[ . 1 . 2]" 1
425 1 22 LYS QE 1 22 LYS QG . . 3.500 2.383 2.116 2.881 . 0 0 "[ . 1 . 2]" 1
426 1 23 GLY H 1 24 GLY H . . 4.360 2.611 1.898 3.516 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLY H 1 25 LYS H . . 4.790 4.461 3.845 4.671 . 0 0 "[ . 1 . 2]" 1
428 1 24 GLY H 1 31 ASN HD21 . . 5.060 3.898 2.438 5.019 . 0 0 "[ . 1 . 2]" 1
429 1 24 GLY H 1 31 ASN QD . . 4.230 3.079 1.838 3.982 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLY H 1 31 ASN HD22 . . 5.060 3.289 1.901 4.506 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLY QA 1 25 LYS H . . 3.020 2.286 2.173 2.392 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLY QA 1 31 ASN QD . . 3.690 2.719 1.868 3.634 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLY HA2 1 25 LYS H . . 3.630 2.427 2.210 2.927 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLY HA3 1 25 LYS H . . 3.630 3.016 2.357 3.605 . 0 0 "[ . 1 . 2]" 1
435 1 25 LYS H 1 25 LYS HB2 . . 3.830 3.491 2.142 3.837 0.007 20 0 "[ . 1 . 2]" 1
436 1 25 LYS H 1 25 LYS QB . . 3.340 2.460 2.119 3.080 . 0 0 "[ . 1 . 2]" 1
437 1 25 LYS H 1 25 LYS HB3 . . 3.830 2.634 2.154 3.483 . 0 0 "[ . 1 . 2]" 1
438 1 25 LYS H 1 25 LYS QD . . 4.680 3.450 1.781 4.552 . 0 0 "[ . 1 . 2]" 1
439 1 25 LYS H 1 25 LYS HG2 . . 3.960 2.893 2.208 3.747 . 0 0 "[ . 1 . 2]" 1
440 1 25 LYS H 1 25 LYS QG . . 3.350 2.719 2.153 3.369 0.019 9 0 "[ . 1 . 2]" 1
441 1 25 LYS H 1 25 LYS HG3 . . 3.960 3.627 2.185 3.962 0.002 18 0 "[ . 1 . 2]" 1
442 1 25 LYS HA 1 25 LYS QD . . 4.720 3.981 2.260 4.556 . 0 0 "[ . 1 . 2]" 1
443 1 25 LYS HA 1 25 LYS QG . . 3.590 3.213 2.139 3.432 . 0 0 "[ . 1 . 2]" 1
444 1 25 LYS HA 1 26 HIS H . . 3.040 2.560 2.438 2.789 . 0 0 "[ . 1 . 2]" 1
445 1 25 LYS HA 1 31 ASN QD . . 5.340 4.242 2.773 5.333 . 0 0 "[ . 1 . 2]" 1
446 1 25 LYS QB 1 25 LYS QE . . 3.910 2.857 1.965 3.910 . 9 0 "[ . 1 . 2]" 1
447 1 25 LYS QB 1 26 HIS H . . 3.560 2.480 1.981 2.705 . 0 0 "[ . 1 . 2]" 1
448 1 25 LYS HB2 1 25 LYS QE . . 4.770 3.536 2.159 4.318 . 0 0 "[ . 1 . 2]" 1
449 1 25 LYS HB2 1 26 HIS H . . 4.070 2.661 2.080 3.544 . 0 0 "[ . 1 . 2]" 1
450 1 25 LYS HB3 1 25 LYS QE . . 4.770 3.213 2.003 4.552 . 0 0 "[ . 1 . 2]" 1
451 1 25 LYS HB3 1 26 HIS H . . 4.070 3.752 1.992 4.072 0.002 10 0 "[ . 1 . 2]" 1
452 1 25 LYS QD 1 26 HIS H . . 4.410 4.102 2.217 4.417 0.007 9 0 "[ . 1 . 2]" 1
453 1 25 LYS QG 1 26 HIS H . . 3.650 2.989 2.566 3.656 0.006 18 0 "[ . 1 . 2]" 1
454 1 25 LYS HG2 1 26 HIS H . . 4.290 3.868 2.917 4.304 0.014 9 0 "[ . 1 . 2]" 1
455 1 25 LYS HG3 1 26 HIS H . . 4.290 3.376 2.598 4.294 0.004 18 0 "[ . 1 . 2]" 1
456 1 26 HIS HA 1 27 LYS H . . 3.380 2.260 2.187 2.429 . 0 0 "[ . 1 . 2]" 1
457 1 26 HIS HA 1 30 PRO HA . . 4.100 3.908 3.566 4.109 0.009 20 0 "[ . 1 . 2]" 1
458 1 26 HIS HA 1 31 ASN H . . 4.080 3.876 3.618 4.090 0.010 16 0 "[ . 1 . 2]" 1
459 1 26 HIS HA 1 31 ASN QB . . 5.300 3.731 3.222 4.410 . 0 0 "[ . 1 . 2]" 1
460 1 26 HIS HB2 1 27 LYS H . . 4.720 4.289 3.987 4.644 . 0 0 "[ . 1 . 2]" 1
461 1 26 HIS HB2 1 30 PRO HA . . 5.260 4.854 4.221 5.261 0.001 9 0 "[ . 1 . 2]" 1
462 1 26 HIS HB2 1 46 TYR HD2 . . 5.060 5.040 4.839 5.062 0.002 18 0 "[ . 1 . 2]" 1
463 1 26 HIS HB3 1 27 LYS H . . 4.300 3.618 3.141 4.302 0.002 9 0 "[ . 1 . 2]" 1
464 1 26 HIS HB3 1 30 PRO HA . . 4.220 3.278 2.744 3.679 . 0 0 "[ . 1 . 2]" 1
465 1 26 HIS HB3 1 46 TYR HD1 . . 5.070 4.976 4.757 5.068 . 0 0 "[ . 1 . 2]" 1
466 1 26 HIS HB3 1 46 TYR HD2 . . 3.910 3.631 3.292 3.897 . 0 0 "[ . 1 . 2]" 1
467 1 26 HIS HE1 1 30 PRO HA . . 4.610 4.105 3.115 4.611 0.001 18 0 "[ . 1 . 2]" 1
468 1 26 HIS HE1 1 30 PRO QB . . 4.630 3.985 2.955 4.632 0.002 17 0 "[ . 1 . 2]" 1
469 1 26 HIS HE1 1 31 ASN H . . 3.440 2.967 1.982 3.405 . 0 0 "[ . 1 . 2]" 1
470 1 26 HIS HE1 1 31 ASN HB2 . . 4.010 3.908 3.101 4.013 0.003 20 0 "[ . 1 . 2]" 1
471 1 26 HIS HE1 1 31 ASN HB3 . . 4.010 3.409 2.611 4.010 . 0 0 "[ . 1 . 2]" 1
472 1 26 HIS HE1 1 43 ALA MB . . 3.010 2.918 2.710 3.012 0.002 15 0 "[ . 1 . 2]" 1
473 1 26 HIS HE1 1 46 TYR QB . . 4.490 3.702 2.945 4.488 . 0 0 "[ . 1 . 2]" 1
474 1 27 LYS H 1 27 LYS QB . . 3.640 2.353 2.042 2.539 . 0 0 "[ . 1 . 2]" 1
475 1 27 LYS H 1 27 LYS HG2 . . 4.710 3.940 2.130 4.717 0.007 20 0 "[ . 1 . 2]" 1
476 1 27 LYS H 1 27 LYS HG3 . . 4.710 3.620 2.573 4.583 . 0 0 "[ . 1 . 2]" 1
477 1 27 LYS H 1 31 ASN H . . 5.500 5.501 5.423 5.543 0.043 20 0 "[ . 1 . 2]" 1
478 1 27 LYS HA 1 27 LYS HD2 . . 4.750 3.831 1.999 4.585 . 0 0 "[ . 1 . 2]" 1
479 1 27 LYS HA 1 27 LYS QD . . 3.940 3.507 1.989 3.943 0.003 15 0 "[ . 1 . 2]" 1
480 1 27 LYS HA 1 27 LYS HD3 . . 4.750 4.255 3.559 4.568 . 0 0 "[ . 1 . 2]" 1
481 1 27 LYS HA 1 27 LYS HG2 . . 4.150 2.324 2.003 3.117 . 0 0 "[ . 1 . 2]" 1
482 1 27 LYS HA 1 27 LYS HG3 . . 4.150 2.933 2.049 3.679 . 0 0 "[ . 1 . 2]" 1
483 1 27 LYS QB 1 27 LYS QD . . 3.210 2.377 2.086 2.862 . 0 0 "[ . 1 . 2]" 1
484 1 27 LYS QB 1 27 LYS QE . . 3.100 2.121 1.905 2.568 . 0 0 "[ . 1 . 2]" 1
485 1 27 LYS QB 1 28 THR HB . . 4.690 4.201 3.823 4.735 0.045 12 0 "[ . 1 . 2]" 1
486 1 27 LYS QB 1 29 GLY H . . 4.640 3.354 2.751 3.848 . 0 0 "[ . 1 . 2]" 1
487 1 27 LYS HB2 1 27 LYS HE2 . . 4.120 2.910 2.110 4.121 0.001 10 0 "[ . 1 . 2]" 1
488 1 27 LYS HB2 1 27 LYS HE3 . . 4.120 3.394 2.351 4.116 . 0 0 "[ . 1 . 2]" 1
489 1 27 LYS HB3 1 27 LYS HE2 . . 4.120 2.833 2.193 3.890 . 0 0 "[ . 1 . 2]" 1
490 1 27 LYS HB3 1 27 LYS HE3 . . 4.120 2.965 2.013 3.936 . 0 0 "[ . 1 . 2]" 1
491 1 27 LYS QE 1 27 LYS QG . . 3.320 2.505 2.070 2.950 . 0 0 "[ . 1 . 2]" 1
492 1 28 THR HA 1 28 THR MG . . 3.400 2.281 2.136 2.606 . 0 0 "[ . 1 . 2]" 1
493 1 28 THR HB 1 29 GLY H . . 4.080 3.249 2.738 4.073 . 0 0 "[ . 1 . 2]" 1
494 1 28 THR MG 1 29 GLY H . . 4.720 4.046 3.529 4.272 . 0 0 "[ . 1 . 2]" 1
495 1 30 PRO HA 1 31 ASN H . . 3.010 2.261 2.195 2.302 . 0 0 "[ . 1 . 2]" 1
496 1 30 PRO HA 1 31 ASN HA . . 4.930 4.181 4.170 4.197 . 0 0 "[ . 1 . 2]" 1
497 1 30 PRO HA 1 31 ASN QB . . 5.200 4.079 4.031 4.137 . 0 0 "[ . 1 . 2]" 1
498 1 30 PRO HA 1 46 TYR HB2 . . 5.180 4.460 3.976 4.973 . 0 0 "[ . 1 . 2]" 1
499 1 30 PRO HA 1 46 TYR QB . . 4.430 3.593 3.183 3.952 . 0 0 "[ . 1 . 2]" 1
500 1 30 PRO HA 1 46 TYR HB3 . . 5.180 3.795 3.350 4.149 . 0 0 "[ . 1 . 2]" 1
501 1 30 PRO HA 1 46 TYR HD2 . . 4.330 2.691 2.128 3.369 . 0 0 "[ . 1 . 2]" 1
502 1 30 PRO QB 1 31 ASN H . . 3.940 3.011 2.902 3.207 . 0 0 "[ . 1 . 2]" 1
503 1 30 PRO QB 1 43 ALA MB . . 3.880 2.690 2.153 3.121 . 0 0 "[ . 1 . 2]" 1
504 1 30 PRO QB 1 46 TYR QB . . 4.470 3.022 2.863 3.148 . 0 0 "[ . 1 . 2]" 1
505 1 30 PRO QB 1 48 TYR HE1 . . 4.140 2.126 1.909 2.863 . 0 0 "[ . 1 . 2]" 1
506 1 30 PRO QB 1 48 TYR HE2 . . 4.870 4.352 3.775 4.871 0.001 2 0 "[ . 1 . 2]" 1
507 1 30 PRO HB2 1 31 ASN H . . 4.500 3.200 3.065 3.443 . 0 0 "[ . 1 . 2]" 1
508 1 30 PRO HB3 1 31 ASN H . . 4.500 3.671 3.589 3.826 . 0 0 "[ . 1 . 2]" 1
509 1 30 PRO QD 1 31 ASN H . . 5.030 5.034 5.024 5.036 0.006 2 0 "[ . 1 . 2]" 1
510 1 30 PRO QD 1 46 TYR HD2 . . 4.550 3.339 2.701 4.034 . 0 0 "[ . 1 . 2]" 1
511 1 30 PRO QG 1 31 ASN H . . 4.840 4.690 4.615 4.816 . 0 0 "[ . 1 . 2]" 1
512 1 30 PRO QG 1 46 TYR HD2 . . 4.870 3.325 3.026 3.632 . 0 0 "[ . 1 . 2]" 1
513 1 30 PRO QG 1 48 TYR HE2 . . 4.530 3.835 3.377 4.295 . 0 0 "[ . 1 . 2]" 1
514 1 30 PRO HG2 1 31 ASN H . . 5.500 5.083 4.994 5.232 . 0 0 "[ . 1 . 2]" 1
515 1 30 PRO HG3 1 31 ASN H . . 5.500 5.503 5.429 5.629 0.129 20 0 "[ . 1 . 2]" 1
516 1 31 ASN H 1 31 ASN HB2 . . 3.770 2.457 2.207 2.815 . 0 0 "[ . 1 . 2]" 1
517 1 31 ASN H 1 31 ASN QB . . 3.230 2.178 2.128 2.233 . 0 0 "[ . 1 . 2]" 1
518 1 31 ASN H 1 31 ASN HB3 . . 3.770 2.547 2.272 2.805 . 0 0 "[ . 1 . 2]" 1
519 1 31 ASN HA 1 31 ASN HD21 . . 4.450 3.419 2.819 4.055 . 0 0 "[ . 1 . 2]" 1
520 1 31 ASN HA 1 31 ASN HD22 . . 4.450 4.131 3.777 4.419 . 0 0 "[ . 1 . 2]" 1
521 1 31 ASN HA 1 32 LEU H . . 3.160 2.381 2.253 2.584 . 0 0 "[ . 1 . 2]" 1
522 1 31 ASN HA 1 32 LEU QB . . 4.610 4.382 4.114 4.609 . 0 0 "[ . 1 . 2]" 1
523 1 31 ASN QB 1 32 LEU H . . 3.910 3.551 3.092 3.884 . 0 0 "[ . 1 . 2]" 1
524 1 31 ASN HB2 1 32 LEU H . . 4.720 4.149 3.798 4.540 . 0 0 "[ . 1 . 2]" 1
525 1 31 ASN HB3 1 32 LEU H . . 4.720 3.898 3.230 4.334 . 0 0 "[ . 1 . 2]" 1
526 1 31 ASN QD 1 32 LEU H . . 4.580 3.852 3.007 4.584 0.004 20 0 "[ . 1 . 2]" 1
527 1 32 LEU H 1 32 LEU QB . . 3.470 2.454 2.080 2.863 . 0 0 "[ . 1 . 2]" 1
528 1 32 LEU H 1 33 HIS H . . 3.960 3.647 2.428 3.964 0.004 14 0 "[ . 1 . 2]" 1
529 1 32 LEU HA 1 32 LEU QD . . 3.670 2.359 1.906 3.170 . 0 0 "[ . 1 . 2]" 1
530 1 32 LEU QB 1 33 HIS H . . 4.030 3.735 3.042 3.983 . 0 0 "[ . 1 . 2]" 1
531 1 32 LEU QB 1 35 LEU MD2 . . 5.170 3.170 2.568 3.992 . 0 0 "[ . 1 . 2]" 1
532 1 32 LEU QB 1 98 LEU QD . . 4.350 3.277 2.598 3.709 . 0 0 "[ . 1 . 2]" 1
533 1 32 LEU QB 1 102 THR MG . . 3.450 2.098 1.815 2.778 . 0 0 "[ . 1 . 2]" 1
534 1 32 LEU HB2 1 33 HIS H . . 4.710 4.357 3.225 4.682 . 0 0 "[ . 1 . 2]" 1
535 1 32 LEU HB2 1 102 THR MG . . 3.960 2.887 2.051 3.685 . 0 0 "[ . 1 . 2]" 1
536 1 32 LEU HB3 1 33 HIS H . . 4.710 4.127 3.730 4.453 . 0 0 "[ . 1 . 2]" 1
537 1 32 LEU HB3 1 102 THR MG . . 3.960 2.226 1.870 2.898 . 0 0 "[ . 1 . 2]" 1
538 1 32 LEU QD 1 33 HIS H . . 4.670 4.097 3.606 4.629 . 0 0 "[ . 1 . 2]" 1
539 1 32 LEU QD 1 35 LEU MD2 . . 4.490 2.663 1.836 3.684 . 0 0 "[ . 1 . 2]" 1
540 1 32 LEU QD 1 98 LEU QD . . 4.660 2.554 1.681 3.597 . 0 0 "[ . 1 . 2]" 1
541 1 33 HIS H 1 33 HIS HB2 . . 3.620 3.034 2.532 3.433 . 0 0 "[ . 1 . 2]" 1
542 1 33 HIS H 1 33 HIS HB3 . . 3.620 2.426 2.102 2.597 . 0 0 "[ . 1 . 2]" 1
543 1 33 HIS H 1 34 GLY H . . 4.900 2.318 1.898 2.999 . 0 0 "[ . 1 . 2]" 1
544 1 33 HIS HA 1 35 LEU H . . 4.270 3.947 3.765 4.257 . 0 0 "[ . 1 . 2]" 1
545 1 33 HIS HA 1 102 THR HA . . 4.200 2.476 2.031 3.078 . 0 0 "[ . 1 . 2]" 1
546 1 33 HIS HA 1 102 THR HB . . 3.750 2.989 2.159 3.670 . 0 0 "[ . 1 . 2]" 1
547 1 33 HIS HA 1 102 THR MG . . 3.910 3.149 2.056 3.727 . 0 0 "[ . 1 . 2]" 1
548 1 33 HIS QB 1 34 GLY H . . 4.540 2.563 2.180 2.940 . 0 0 "[ . 1 . 2]" 1
549 1 34 GLY H 1 35 LEU H . . 3.720 2.880 2.665 3.436 . 0 0 "[ . 1 . 2]" 1
550 1 34 GLY H 1 102 THR HB . . 4.270 4.219 4.011 4.274 0.004 16 0 "[ . 1 . 2]" 1
551 1 34 GLY H 1 102 THR MG . . 4.930 4.742 4.181 4.930 . 0 0 "[ . 1 . 2]" 1
552 1 34 GLY QA 1 38 ARG QD . . 4.900 3.648 2.467 4.899 . 0 0 "[ . 1 . 2]" 1
553 1 34 GLY QA 1 102 THR HB . . 4.910 3.731 3.315 4.288 . 0 0 "[ . 1 . 2]" 1
554 1 35 LEU H 1 35 LEU HB2 . . 3.190 2.503 2.223 2.875 . 0 0 "[ . 1 . 2]" 1
555 1 35 LEU H 1 35 LEU HB3 . . 3.410 2.444 2.237 2.707 . 0 0 "[ . 1 . 2]" 1
556 1 35 LEU H 1 35 LEU MD1 . . 4.570 4.050 3.697 4.330 . 0 0 "[ . 1 . 2]" 1
557 1 35 LEU H 1 35 LEU MD2 . . 4.920 4.160 4.031 4.264 . 0 0 "[ . 1 . 2]" 1
558 1 35 LEU H 1 36 PHE H . . 3.600 3.107 2.702 3.355 . 0 0 "[ . 1 . 2]" 1
559 1 35 LEU H 1 102 THR HA . . 5.000 4.558 4.080 4.986 . 0 0 "[ . 1 . 2]" 1
560 1 35 LEU H 1 102 THR HB . . 3.670 2.366 1.949 2.807 . 0 0 "[ . 1 . 2]" 1
561 1 35 LEU H 1 102 THR HG1 . . 3.830 3.549 2.747 3.818 . 0 0 "[ . 1 . 2]" 1
562 1 35 LEU HA 1 35 LEU MD1 . . 3.230 2.397 2.108 2.702 . 0 0 "[ . 1 . 2]" 1
563 1 35 LEU HA 1 35 LEU MD2 . . 4.600 3.949 3.884 4.032 . 0 0 "[ . 1 . 2]" 1
564 1 35 LEU HA 1 35 LEU HG . . 3.880 3.042 2.771 3.444 . 0 0 "[ . 1 . 2]" 1
565 1 35 LEU HA 1 38 ARG H . . 5.140 4.579 3.575 5.108 . 0 0 "[ . 1 . 2]" 1
566 1 35 LEU HA 1 38 ARG HB2 . . 4.500 4.362 4.030 4.501 0.001 4 0 "[ . 1 . 2]" 1
567 1 35 LEU HA 1 38 ARG HB3 . . 4.500 3.274 2.849 3.901 . 0 0 "[ . 1 . 2]" 1
568 1 35 LEU HA 1 38 ARG QD . . 5.300 4.113 1.995 4.988 . 0 0 "[ . 1 . 2]" 1
569 1 35 LEU HA 1 38 ARG HE . . 4.980 4.076 2.525 4.955 . 0 0 "[ . 1 . 2]" 1
570 1 35 LEU HB2 1 36 PHE H . . 4.280 3.728 3.539 4.068 . 0 0 "[ . 1 . 2]" 1
571 1 35 LEU HB2 1 36 PHE QD . . 4.630 4.326 3.879 4.607 . 0 0 "[ . 1 . 2]" 1
572 1 35 LEU HB2 1 102 THR HB . . 4.980 3.593 2.951 4.325 . 0 0 "[ . 1 . 2]" 1
573 1 35 LEU HB3 1 36 PHE H . . 3.780 2.283 2.012 2.805 . 0 0 "[ . 1 . 2]" 1
574 1 35 LEU HB3 1 36 PHE HA . . 4.800 4.507 4.263 4.802 0.002 14 0 "[ . 1 . 2]" 1
575 1 35 LEU HB3 1 36 PHE QD . . 3.410 2.692 2.153 3.137 . 0 0 "[ . 1 . 2]" 1
576 1 35 LEU MD1 1 36 PHE QE . . 5.200 4.843 4.131 5.198 . 0 0 "[ . 1 . 2]" 1
577 1 35 LEU MD1 1 59 TRP HD1 . . 3.300 2.684 2.187 3.279 . 0 0 "[ . 1 . 2]" 1
578 1 35 LEU MD1 1 59 TRP HE1 . . 4.620 3.952 3.470 4.568 . 0 0 "[ . 1 . 2]" 1
579 1 35 LEU MD1 1 64 LEU MD1 . . 4.770 3.220 2.349 4.002 . 0 0 "[ . 1 . 2]" 1
580 1 35 LEU MD2 1 36 PHE H . . 4.800 3.484 3.059 3.973 . 0 0 "[ . 1 . 2]" 1
581 1 35 LEU MD2 1 36 PHE HA . . 4.760 4.420 3.956 4.759 . 0 0 "[ . 1 . 2]" 1
582 1 35 LEU MD2 1 36 PHE QD . . 3.940 2.556 2.006 3.035 . 0 0 "[ . 1 . 2]" 1
583 1 35 LEU MD2 1 36 PHE QE . . 4.030 2.367 2.056 2.711 . 0 0 "[ . 1 . 2]" 1
584 1 35 LEU MD2 1 64 LEU MD1 . . 4.120 2.090 1.689 2.755 . 0 0 "[ . 1 . 2]" 1
585 1 35 LEU MD2 1 64 LEU MD2 . . 3.750 2.807 2.001 3.350 . 0 0 "[ . 1 . 2]" 1
586 1 35 LEU MD2 1 102 THR MG . . 4.120 2.418 1.975 3.113 . 0 0 "[ . 1 . 2]" 1
587 1 35 LEU HG 1 36 PHE H . . 4.700 3.141 2.219 3.908 . 0 0 "[ . 1 . 2]" 1
588 1 35 LEU HG 1 36 PHE HA . . 4.830 3.508 2.992 4.089 . 0 0 "[ . 1 . 2]" 1
589 1 35 LEU HG 1 36 PHE QD . . 4.180 3.294 1.998 4.017 . 0 0 "[ . 1 . 2]" 1
590 1 35 LEU HG 1 59 TRP QB . . 3.930 2.460 1.817 3.129 . 0 0 "[ . 1 . 2]" 1
591 1 35 LEU HG 1 59 TRP HD1 . . 4.750 4.472 3.513 4.751 0.001 15 0 "[ . 1 . 2]" 1
592 1 36 PHE H 1 36 PHE HB2 . . 3.810 2.121 2.007 2.213 . 0 0 "[ . 1 . 2]" 1
593 1 36 PHE H 1 36 PHE QB . . 3.150 2.101 1.992 2.188 . 0 0 "[ . 1 . 2]" 1
594 1 36 PHE H 1 36 PHE HB3 . . 3.810 3.409 3.349 3.441 . 0 0 "[ . 1 . 2]" 1
595 1 36 PHE H 1 36 PHE QD . . 2.930 2.157 1.949 2.685 . 0 0 "[ . 1 . 2]" 1
596 1 36 PHE H 1 102 THR HG1 . . 4.540 2.409 1.949 3.089 . 0 0 "[ . 1 . 2]" 1
597 1 36 PHE HA 1 36 PHE QD . . 3.670 3.087 2.906 3.155 . 0 0 "[ . 1 . 2]" 1
598 1 36 PHE HA 1 37 GLY H . . 2.990 2.250 2.194 2.395 . 0 0 "[ . 1 . 2]" 1
599 1 36 PHE HA 1 38 ARG H . . 3.870 3.719 3.008 3.870 0.000 15 0 "[ . 1 . 2]" 1
600 1 36 PHE HA 1 59 TRP QB . . 4.240 3.425 2.693 3.848 . 0 0 "[ . 1 . 2]" 1
601 1 36 PHE QB 1 37 GLY H . . 4.290 3.631 2.754 3.922 . 0 0 "[ . 1 . 2]" 1
602 1 36 PHE QD 1 60 GLY QA . . 3.480 3.096 2.618 3.476 . 0 0 "[ . 1 . 2]" 1
603 1 36 PHE QD 1 64 LEU MD1 . . 4.540 3.962 3.463 4.306 . 0 0 "[ . 1 . 2]" 1
604 1 36 PHE QD 1 99 LYS HA . . 3.810 2.902 2.240 3.808 . 0 0 "[ . 1 . 2]" 1
605 1 36 PHE QD 1 102 THR MG . . 4.080 3.469 2.743 4.007 . 0 0 "[ . 1 . 2]" 1
606 1 36 PHE QE 1 60 GLY QA . . 5.020 2.984 1.987 3.692 . 0 0 "[ . 1 . 2]" 1
607 1 36 PHE QE 1 61 GLU HA . . 4.170 3.690 3.200 4.055 . 0 0 "[ . 1 . 2]" 1
608 1 36 PHE QE 1 61 GLU HG2 . . 4.610 2.941 1.999 4.611 0.001 15 0 "[ . 1 . 2]" 1
609 1 36 PHE QE 1 61 GLU QG . . 3.820 2.230 1.817 3.337 . 0 0 "[ . 1 . 2]" 1
610 1 36 PHE QE 1 61 GLU HG3 . . 4.610 2.521 1.999 3.898 . 0 0 "[ . 1 . 2]" 1
611 1 36 PHE QE 1 64 LEU MD1 . . 3.930 2.835 2.097 3.562 . 0 0 "[ . 1 . 2]" 1
612 1 36 PHE QE 1 95 ILE HA . . 4.920 4.537 3.988 4.919 . 0 0 "[ . 1 . 2]" 1
613 1 36 PHE QE 1 95 ILE MG . . 3.780 3.194 2.781 3.700 . 0 0 "[ . 1 . 2]" 1
614 1 36 PHE QE 1 98 LEU HB2 . . 4.340 4.058 3.296 4.339 . 0 0 "[ . 1 . 2]" 1
615 1 36 PHE QE 1 98 LEU QB . . 3.690 3.355 2.344 3.681 . 0 0 "[ . 1 . 2]" 1
616 1 36 PHE QE 1 98 LEU HB3 . . 4.340 3.600 2.399 3.979 . 0 0 "[ . 1 . 2]" 1
617 1 36 PHE QE 1 99 LYS HA . . 3.830 2.481 2.013 2.921 . 0 0 "[ . 1 . 2]" 1
618 1 36 PHE QE 1 99 LYS QG . . 4.150 3.455 2.520 4.151 0.001 16 0 "[ . 1 . 2]" 1
619 1 36 PHE QE 1 102 THR MG . . 4.880 3.963 3.010 4.449 . 0 0 "[ . 1 . 2]" 1
620 1 36 PHE HZ 1 61 GLU QG . . 4.820 2.629 2.012 3.807 . 0 0 "[ . 1 . 2]" 1
621 1 36 PHE HZ 1 64 LEU MD1 . . 4.040 2.863 1.955 3.825 . 0 0 "[ . 1 . 2]" 1
622 1 36 PHE HZ 1 95 ILE MG . . 3.540 2.302 1.823 2.905 . 0 0 "[ . 1 . 2]" 1
623 1 36 PHE HZ 1 98 LEU QB . . 5.340 4.698 3.352 5.193 . 0 0 "[ . 1 . 2]" 1
624 1 36 PHE HZ 1 99 LYS HA . . 4.320 3.940 3.467 4.321 0.001 15 0 "[ . 1 . 2]" 1
625 1 36 PHE HZ 1 99 LYS QB . . 4.120 2.535 2.039 4.093 . 0 0 "[ . 1 . 2]" 1
626 1 36 PHE HZ 1 99 LYS QD . . 4.790 3.181 2.255 4.140 . 0 0 "[ . 1 . 2]" 1
627 1 37 GLY H 1 38 ARG H . . 3.440 2.095 1.899 2.624 . 0 0 "[ . 1 . 2]" 1
628 1 37 GLY H 1 38 ARG QB . . 5.210 4.187 3.925 4.721 . 0 0 "[ . 1 . 2]" 1
629 1 37 GLY H 1 58 ILE MG . . 3.790 2.722 2.153 3.181 . 0 0 "[ . 1 . 2]" 1
630 1 37 GLY H 1 59 TRP QB . . 5.340 3.889 3.253 4.536 . 0 0 "[ . 1 . 2]" 1
631 1 37 GLY HA2 1 58 ILE MG . . 3.290 2.945 2.311 3.209 . 0 0 "[ . 1 . 2]" 1
632 1 37 GLY HA3 1 58 ILE MD . . 5.500 4.579 3.767 5.395 . 0 0 "[ . 1 . 2]" 1
633 1 37 GLY HA3 1 58 ILE MG . . 4.440 4.300 3.695 4.441 0.001 13 0 "[ . 1 . 2]" 1
634 1 38 ARG H 1 38 ARG HB2 . . 3.690 3.261 2.767 3.676 . 0 0 "[ . 1 . 2]" 1
635 1 38 ARG H 1 38 ARG QB . . 3.210 2.657 2.385 2.787 . 0 0 "[ . 1 . 2]" 1
636 1 38 ARG H 1 38 ARG HB3 . . 3.690 2.835 2.568 3.078 . 0 0 "[ . 1 . 2]" 1
637 1 38 ARG H 1 38 ARG HG2 . . 4.860 4.280 2.192 4.773 . 0 0 "[ . 1 . 2]" 1
638 1 38 ARG H 1 38 ARG QG . . 4.240 3.885 2.103 4.175 . 0 0 "[ . 1 . 2]" 1
639 1 38 ARG H 1 38 ARG HG3 . . 4.860 4.507 2.708 4.849 . 0 0 "[ . 1 . 2]" 1
640 1 38 ARG H 1 58 ILE MG . . 4.510 2.899 2.291 3.647 . 0 0 "[ . 1 . 2]" 1
641 1 38 ARG H 1 59 TRP H . . 4.540 3.470 3.001 4.379 . 0 0 "[ . 1 . 2]" 1
642 1 38 ARG HA 1 38 ARG HG2 . . 4.210 3.237 2.802 3.865 . 0 0 "[ . 1 . 2]" 1
643 1 38 ARG HA 1 38 ARG QG . . 3.630 2.475 2.172 3.338 . 0 0 "[ . 1 . 2]" 1
644 1 38 ARG HA 1 38 ARG HG3 . . 4.210 2.594 2.227 3.675 . 0 0 "[ . 1 . 2]" 1
645 1 38 ARG HA 1 39 LYS H . . 3.080 2.350 2.229 2.537 . 0 0 "[ . 1 . 2]" 1
646 1 38 ARG HA 1 58 ILE MG . . 4.740 4.486 4.219 4.725 . 0 0 "[ . 1 . 2]" 1
647 1 38 ARG QB 1 39 LYS H . . 4.020 3.536 2.403 3.998 . 0 0 "[ . 1 . 2]" 1
648 1 38 ARG QD 1 42 GLN HB2 . . 4.520 2.362 1.960 3.196 . 0 0 "[ . 1 . 2]" 1
649 1 38 ARG QD 1 42 GLN QB . . 3.770 2.257 1.785 3.134 . 0 0 "[ . 1 . 2]" 1
650 1 38 ARG QD 1 42 GLN HB3 . . 4.520 3.145 2.056 4.520 . 0 0 "[ . 1 . 2]" 1
651 1 38 ARG QG 1 39 LYS H . . 3.670 2.562 1.815 3.526 . 0 0 "[ . 1 . 2]" 1
652 1 38 ARG QG 1 39 LYS HA . . 4.870 4.176 3.809 4.617 . 0 0 "[ . 1 . 2]" 1
653 1 39 LYS H 1 39 LYS HB2 . . 3.740 2.159 2.020 2.330 . 0 0 "[ . 1 . 2]" 1
654 1 39 LYS H 1 39 LYS QB . . 3.280 2.125 1.994 2.213 . 0 0 "[ . 1 . 2]" 1
655 1 39 LYS H 1 39 LYS HB3 . . 3.740 3.273 2.744 3.492 . 0 0 "[ . 1 . 2]" 1
656 1 39 LYS H 1 39 LYS QD . . 4.270 3.826 2.379 4.271 0.001 15 0 "[ . 1 . 2]" 1
657 1 39 LYS H 1 39 LYS HG2 . . 4.650 4.344 4.048 4.588 . 0 0 "[ . 1 . 2]" 1
658 1 39 LYS H 1 39 LYS QG . . 3.940 3.437 2.878 3.929 . 0 0 "[ . 1 . 2]" 1
659 1 39 LYS H 1 39 LYS HG3 . . 4.650 3.648 2.938 4.373 . 0 0 "[ . 1 . 2]" 1
660 1 39 LYS H 1 58 ILE MD . . 4.520 3.230 2.418 3.960 . 0 0 "[ . 1 . 2]" 1
661 1 39 LYS HA 1 39 LYS QD . . 4.260 3.591 1.986 4.057 . 0 0 "[ . 1 . 2]" 1
662 1 39 LYS HA 1 39 LYS QE . . 4.020 3.882 3.290 4.019 . 0 0 "[ . 1 . 2]" 1
663 1 39 LYS HA 1 40 THR H . . 3.020 2.650 2.510 2.770 . 0 0 "[ . 1 . 2]" 1
664 1 39 LYS HA 1 40 THR MG . . 4.290 3.616 3.224 3.878 . 0 0 "[ . 1 . 2]" 1
665 1 39 LYS HA 1 58 ILE HA . . 3.050 2.568 2.292 3.021 . 0 0 "[ . 1 . 2]" 1
666 1 39 LYS HA 1 58 ILE MD . . 4.010 2.540 1.937 3.145 . 0 0 "[ . 1 . 2]" 1
667 1 39 LYS HA 1 58 ILE MG . . 4.580 4.085 3.515 4.545 . 0 0 "[ . 1 . 2]" 1
668 1 39 LYS HA 1 59 TRP H . . 4.360 3.906 3.456 4.323 . 0 0 "[ . 1 . 2]" 1
669 1 39 LYS QB 1 39 LYS QE . . 3.360 2.357 1.985 3.341 . 0 0 "[ . 1 . 2]" 1
670 1 39 LYS QB 1 39 LYS QG . . 2.350 2.098 2.017 2.134 . 0 0 "[ . 1 . 2]" 1
671 1 39 LYS QB 1 40 THR H . . 3.590 2.370 2.021 3.083 . 0 0 "[ . 1 . 2]" 1
672 1 39 LYS QB 1 42 GLN QE . . 4.720 2.867 2.431 3.385 . 0 0 "[ . 1 . 2]" 1
673 1 39 LYS QB 1 42 GLN QG . . 2.880 2.408 1.836 2.860 . 0 0 "[ . 1 . 2]" 1
674 1 39 LYS QB 1 56 GLY QA . . 5.180 3.855 3.186 4.806 . 0 0 "[ . 1 . 2]" 1
675 1 39 LYS HB2 1 40 THR H . . 4.160 3.726 3.541 4.027 . 0 0 "[ . 1 . 2]" 1
676 1 39 LYS HB2 1 42 GLN HG2 . . 4.220 3.435 2.271 4.173 . 0 0 "[ . 1 . 2]" 1
677 1 39 LYS HB2 1 42 GLN HG3 . . 4.220 2.878 2.032 3.493 . 0 0 "[ . 1 . 2]" 1
678 1 39 LYS HB3 1 40 THR H . . 4.160 2.410 2.033 3.202 . 0 0 "[ . 1 . 2]" 1
679 1 39 LYS HB3 1 42 GLN HG2 . . 4.220 3.220 2.091 3.859 . 0 0 "[ . 1 . 2]" 1
680 1 39 LYS HB3 1 42 GLN HG3 . . 4.220 3.460 2.121 4.217 . 0 0 "[ . 1 . 2]" 1
681 1 39 LYS QD 1 39 LYS QG . . 2.370 2.059 2.050 2.098 . 0 0 "[ . 1 . 2]" 1
682 1 39 LYS QD 1 40 THR H . . 4.580 4.340 3.928 4.580 0.000 9 0 "[ . 1 . 2]" 1
683 1 39 LYS QD 1 56 GLY QA . . 5.340 4.172 3.118 5.255 . 0 0 "[ . 1 . 2]" 1
684 1 39 LYS QE 1 39 LYS HG2 . . 3.580 2.988 2.299 3.483 . 0 0 "[ . 1 . 2]" 1
685 1 39 LYS QE 1 39 LYS QG . . 3.140 2.320 2.087 2.743 . 0 0 "[ . 1 . 2]" 1
686 1 39 LYS QE 1 39 LYS HG3 . . 3.580 2.691 2.156 3.560 . 0 0 "[ . 1 . 2]" 1
687 1 39 LYS QE 1 58 ILE MD . . 4.300 2.625 1.772 4.215 . 0 0 "[ . 1 . 2]" 1
688 1 39 LYS QG 1 42 GLN QE . . 4.760 4.451 3.564 4.760 0.000 1 0 "[ . 1 . 2]" 1
689 1 39 LYS QG 1 56 GLY QA . . 5.030 3.329 2.351 4.015 . 0 0 "[ . 1 . 2]" 1
690 1 39 LYS QG 1 58 ILE HA . . 4.100 3.364 2.851 3.778 . 0 0 "[ . 1 . 2]" 1
691 1 39 LYS QG 1 58 ILE MD . . 3.470 2.402 1.783 3.469 . 0 0 "[ . 1 . 2]" 1
692 1 39 LYS QG 1 59 TRP H . . 5.340 5.131 4.691 5.338 . 0 0 "[ . 1 . 2]" 1
693 1 39 LYS HG2 1 40 THR H . . 4.310 3.162 1.965 4.232 . 0 0 "[ . 1 . 2]" 1
694 1 39 LYS HG3 1 40 THR H . . 4.310 3.536 2.260 4.304 . 0 0 "[ . 1 . 2]" 1
695 1 40 THR H 1 40 THR HG1 . . 3.620 2.667 2.072 3.383 . 0 0 "[ . 1 . 2]" 1
696 1 40 THR H 1 40 THR MG . . 3.120 2.550 1.963 2.927 . 0 0 "[ . 1 . 2]" 1
697 1 40 THR H 1 57 ILE H . . 4.390 2.943 2.448 4.150 . 0 0 "[ . 1 . 2]" 1
698 1 40 THR H 1 57 ILE MD . . 4.930 4.547 4.053 4.924 . 0 0 "[ . 1 . 2]" 1
699 1 40 THR H 1 58 ILE HA . . 4.820 4.535 4.014 4.817 . 0 0 "[ . 1 . 2]" 1
700 1 40 THR HA 1 40 THR MG . . 3.300 2.352 2.189 2.567 . 0 0 "[ . 1 . 2]" 1
701 1 40 THR HA 1 41 GLY H . . 2.980 2.232 2.150 2.548 . 0 0 "[ . 1 . 2]" 1
702 1 40 THR HA 1 52 ASN QD . . 3.930 3.260 2.376 3.930 0.000 17 0 "[ . 1 . 2]" 1
703 1 40 THR HA 1 59 TRP HD1 . . 4.540 3.876 3.318 4.357 . 0 0 "[ . 1 . 2]" 1
704 1 40 THR HA 1 59 TRP HE1 . . 3.120 2.918 2.631 3.111 . 0 0 "[ . 1 . 2]" 1
705 1 40 THR HB 1 41 GLY H . . 3.940 3.328 2.361 3.858 . 0 0 "[ . 1 . 2]" 1
706 1 40 THR HB 1 41 GLY HA3 . . 4.750 4.365 4.066 4.537 . 0 0 "[ . 1 . 2]" 1
707 1 40 THR HB 1 52 ASN HD21 . . 4.120 2.844 2.320 3.286 . 0 0 "[ . 1 . 2]" 1
708 1 40 THR HB 1 52 ASN QD . . 3.520 2.250 1.901 2.888 . 0 0 "[ . 1 . 2]" 1
709 1 40 THR HB 1 52 ASN HD22 . . 4.120 2.377 1.950 3.201 . 0 0 "[ . 1 . 2]" 1
710 1 40 THR HB 1 59 TRP HE1 . . 4.740 3.957 3.169 4.471 . 0 0 "[ . 1 . 2]" 1
711 1 40 THR HB 1 59 TRP HZ2 . . 5.020 4.500 3.775 4.985 . 0 0 "[ . 1 . 2]" 1
712 1 40 THR HG1 1 55 LYS H . . 4.920 4.343 2.501 4.911 . 0 0 "[ . 1 . 2]" 1
713 1 40 THR HG1 1 56 GLY H . . 4.040 3.724 2.997 4.039 . 0 0 "[ . 1 . 2]" 1
714 1 40 THR HG1 1 57 ILE H . . 4.180 2.827 1.962 3.876 . 0 0 "[ . 1 . 2]" 1
715 1 40 THR MG 1 41 GLY H . . 4.540 3.956 3.669 4.115 . 0 0 "[ . 1 . 2]" 1
716 1 40 THR MG 1 52 ASN HD21 . . 4.420 4.150 3.802 4.421 0.001 1 0 "[ . 1 . 2]" 1
717 1 40 THR MG 1 52 ASN QD . . 3.820 3.000 2.588 3.577 . 0 0 "[ . 1 . 2]" 1
718 1 40 THR MG 1 52 ASN HD22 . . 4.420 3.087 2.628 3.779 . 0 0 "[ . 1 . 2]" 1
719 1 40 THR MG 1 55 LYS H . . 5.500 5.140 4.448 5.498 . 0 0 "[ . 1 . 2]" 1
720 1 40 THR MG 1 55 LYS QB . . 3.450 2.766 2.104 3.105 . 0 0 "[ . 1 . 2]" 1
721 1 40 THR MG 1 55 LYS HG2 . . 4.390 2.959 2.019 4.390 . 0 0 "[ . 1 . 2]" 1
722 1 40 THR MG 1 55 LYS QG . . 3.850 2.615 1.956 3.154 . 0 0 "[ . 1 . 2]" 1
723 1 40 THR MG 1 55 LYS HG3 . . 4.390 3.069 2.292 3.674 . 0 0 "[ . 1 . 2]" 1
724 1 40 THR MG 1 56 GLY H . . 4.930 4.427 3.685 4.927 . 0 0 "[ . 1 . 2]" 1
725 1 40 THR MG 1 57 ILE H . . 3.750 2.532 1.935 3.152 . 0 0 "[ . 1 . 2]" 1
726 1 40 THR MG 1 57 ILE HB . . 4.680 4.430 4.138 4.671 . 0 0 "[ . 1 . 2]" 1
727 1 40 THR MG 1 57 ILE MD . . 3.450 2.380 2.029 2.772 . 0 0 "[ . 1 . 2]" 1
728 1 40 THR MG 1 57 ILE QG . . 4.730 2.148 1.834 2.582 . 0 0 "[ . 1 . 2]" 1
729 1 40 THR MG 1 59 TRP HE1 . . 3.700 2.343 1.884 2.848 . 0 0 "[ . 1 . 2]" 1
730 1 40 THR MG 1 59 TRP HZ2 . . 3.500 2.775 2.270 3.321 . 0 0 "[ . 1 . 2]" 1
731 1 40 THR MG 1 74 TYR QE . . 4.760 3.995 3.318 4.522 . 0 0 "[ . 1 . 2]" 1
732 1 40 THR MG 1 75 ILE MD . . 3.810 3.517 3.050 3.810 . 0 0 "[ . 1 . 2]" 1
733 1 41 GLY H 1 42 GLN H . . 3.890 2.680 2.218 3.116 . 0 0 "[ . 1 . 2]" 1
734 1 41 GLY H 1 52 ASN QD . . 3.930 2.850 1.972 3.912 . 0 0 "[ . 1 . 2]" 1
735 1 41 GLY H 1 53 LYS HA . . 4.980 4.559 3.762 4.962 . 0 0 "[ . 1 . 2]" 1
736 1 41 GLY H 1 55 LYS QB . . 5.500 5.415 4.879 5.501 0.001 1 0 "[ . 1 . 2]" 1
737 1 41 GLY H 1 59 TRP HE1 . . 4.420 4.157 3.545 4.416 . 0 0 "[ . 1 . 2]" 1
738 1 41 GLY HA2 1 43 ALA H . . 4.680 3.779 3.131 4.185 . 0 0 "[ . 1 . 2]" 1
739 1 41 GLY HA2 1 48 TYR HD1 . . 5.220 5.028 4.517 5.220 0.000 8 0 "[ . 1 . 2]" 1
740 1 41 GLY HA2 1 48 TYR HE1 . . 5.310 5.004 4.771 5.252 . 0 0 "[ . 1 . 2]" 1
741 1 41 GLY HA2 1 52 ASN QD . . 4.760 3.509 2.750 4.026 . 0 0 "[ . 1 . 2]" 1
742 1 41 GLY HA2 1 53 LYS HA . . 3.930 3.784 3.340 3.930 0.000 2 0 "[ . 1 . 2]" 1
743 1 41 GLY HA3 1 52 ASN QD . . 4.810 3.407 2.514 3.935 . 0 0 "[ . 1 . 2]" 1
744 1 41 GLY HA3 1 53 LYS H . . 5.100 4.781 4.300 5.097 . 0 0 "[ . 1 . 2]" 1
745 1 41 GLY HA3 1 53 LYS HA . . 3.200 2.458 2.001 2.762 . 0 0 "[ . 1 . 2]" 1
746 1 41 GLY HA3 1 53 LYS HB3 . . 5.300 5.054 4.558 5.299 . 0 0 "[ . 1 . 2]" 1
747 1 42 GLN H 1 42 GLN QB . . 3.520 2.498 2.233 2.792 . 0 0 "[ . 1 . 2]" 1
748 1 42 GLN H 1 42 GLN HG2 . . 4.170 2.786 2.331 3.112 . 0 0 "[ . 1 . 2]" 1
749 1 42 GLN H 1 42 GLN QG . . 3.420 2.739 2.305 3.030 . 0 0 "[ . 1 . 2]" 1
750 1 42 GLN H 1 42 GLN HG3 . . 4.170 4.060 3.631 4.170 0.000 12 0 "[ . 1 . 2]" 1
751 1 42 GLN H 1 43 ALA H . . 3.710 2.031 1.900 2.733 . 0 0 "[ . 1 . 2]" 1
752 1 42 GLN H 1 43 ALA MB . . 4.470 3.631 3.495 3.807 . 0 0 "[ . 1 . 2]" 1
753 1 42 GLN HA 1 42 GLN HG2 . . 4.100 3.089 2.771 3.594 . 0 0 "[ . 1 . 2]" 1
754 1 42 GLN HA 1 42 GLN QG . . 3.370 2.939 2.695 3.288 . 0 0 "[ . 1 . 2]" 1
755 1 42 GLN HA 1 42 GLN HG3 . . 4.100 3.710 3.603 3.848 . 0 0 "[ . 1 . 2]" 1
756 1 42 GLN QB 1 43 ALA H . . 4.440 2.859 2.453 3.862 . 0 0 "[ . 1 . 2]" 1
757 1 42 GLN QE 1 53 LYS QG . . 4.800 4.595 4.064 4.800 . 0 0 "[ . 1 . 2]" 1
758 1 42 GLN HE21 1 53 LYS QG . . 5.500 5.104 4.566 5.499 . 0 0 "[ . 1 . 2]" 1
759 1 42 GLN HE22 1 53 LYS QG . . 5.500 5.293 4.356 5.501 0.001 9 0 "[ . 1 . 2]" 1
760 1 42 GLN QG 1 43 ALA H . . 4.470 4.159 3.865 4.470 . 0 0 "[ . 1 . 2]" 1
761 1 43 ALA H 1 43 ALA MB . . 3.270 2.160 2.059 2.312 . 0 0 "[ . 1 . 2]" 1
762 1 43 ALA H 1 48 TYR HE1 . . 4.700 4.576 4.089 4.702 0.002 17 0 "[ . 1 . 2]" 1
763 1 43 ALA H 1 48 TYR HE2 . . 3.930 3.782 3.630 3.930 0.000 1 0 "[ . 1 . 2]" 1
764 1 43 ALA H 1 48 TYR HH . . 3.830 3.051 2.170 3.821 . 0 0 "[ . 1 . 2]" 1
765 1 43 ALA HA 1 44 PRO HD2 . . 3.120 2.185 2.184 2.186 . 0 0 "[ . 1 . 2]" 1
766 1 43 ALA HA 1 44 PRO QD . . 2.720 1.935 1.933 1.940 . 0 0 "[ . 1 . 2]" 1
767 1 43 ALA HA 1 44 PRO HD3 . . 3.120 2.159 2.155 2.171 . 0 0 "[ . 1 . 2]" 1
768 1 43 ALA MB 1 44 PRO HD2 . . 4.260 3.550 3.523 3.576 . 0 0 "[ . 1 . 2]" 1
769 1 43 ALA MB 1 44 PRO QD . . 3.630 3.277 3.260 3.291 . 0 0 "[ . 1 . 2]" 1
770 1 43 ALA MB 1 44 PRO HD3 . . 4.260 3.847 3.844 3.855 . 0 0 "[ . 1 . 2]" 1
771 1 43 ALA MB 1 46 TYR H . . 4.140 2.560 2.248 2.872 . 0 0 "[ . 1 . 2]" 1
772 1 43 ALA MB 1 46 TYR QB . . 4.380 2.691 2.432 3.187 . 0 0 "[ . 1 . 2]" 1
773 1 43 ALA MB 1 46 TYR HD2 . . 4.290 3.977 3.658 4.289 . 0 0 "[ . 1 . 2]" 1
774 1 43 ALA MB 1 48 TYR HE1 . . 4.310 2.340 1.945 2.540 . 0 0 "[ . 1 . 2]" 1
775 1 43 ALA MB 1 48 TYR HE2 . . 4.930 3.807 3.496 4.052 . 0 0 "[ . 1 . 2]" 1
776 1 43 ALA MB 1 48 TYR HH . . 4.550 2.401 1.944 2.745 . 0 0 "[ . 1 . 2]" 1
777 1 46 TYR H 1 46 TYR HB2 . . 3.640 3.085 2.645 3.365 . 0 0 "[ . 1 . 2]" 1
778 1 46 TYR H 1 46 TYR QB . . 3.180 2.531 2.259 2.762 . 0 0 "[ . 1 . 2]" 1
779 1 46 TYR H 1 46 TYR HB3 . . 3.640 2.694 2.447 2.947 . 0 0 "[ . 1 . 2]" 1
780 1 46 TYR HA 1 46 TYR HD2 . . 4.890 4.675 4.612 4.763 . 0 0 "[ . 1 . 2]" 1
781 1 46 TYR HD2 1 48 TYR HA . . 5.500 5.431 5.001 5.502 0.002 16 0 "[ . 1 . 2]" 1
782 1 46 TYR HD2 1 48 TYR HD1 . . 4.380 3.651 3.045 4.018 . 0 0 "[ . 1 . 2]" 1
783 1 47 SER HA 1 48 TYR H . . 2.930 2.285 2.221 2.343 . 0 0 "[ . 1 . 2]" 1
784 1 47 SER HA 1 48 TYR HB2 . . 5.120 4.780 4.614 4.911 . 0 0 "[ . 1 . 2]" 1
785 1 47 SER QB 1 48 TYR H . . 3.680 3.073 2.823 3.636 . 0 0 "[ . 1 . 2]" 1
786 1 48 TYR H 1 48 TYR HB2 . . 3.410 2.537 2.399 2.616 . 0 0 "[ . 1 . 2]" 1
787 1 48 TYR H 1 48 TYR HB3 . . 3.740 3.515 3.454 3.568 . 0 0 "[ . 1 . 2]" 1
788 1 48 TYR H 1 48 TYR HD1 . . 4.100 2.757 2.588 2.922 . 0 0 "[ . 1 . 2]" 1
789 1 48 TYR H 1 48 TYR HD2 . . 4.220 3.926 3.783 4.053 . 0 0 "[ . 1 . 2]" 1
790 1 48 TYR H 1 48 TYR HE1 . . 4.580 4.442 4.199 4.578 . 0 0 "[ . 1 . 2]" 1
791 1 48 TYR HA 1 48 TYR HD1 . . 4.170 2.276 2.138 2.351 . 0 0 "[ . 1 . 2]" 1
792 1 48 TYR HA 1 49 THR H . . 2.940 2.711 2.625 2.788 . 0 0 "[ . 1 . 2]" 1
793 1 48 TYR HA 1 79 LYS HE2 . . 4.720 3.883 2.713 4.516 . 0 0 "[ . 1 . 2]" 1
794 1 48 TYR HA 1 79 LYS QE . . 4.110 3.439 2.511 4.096 . 0 0 "[ . 1 . 2]" 1
795 1 48 TYR HA 1 79 LYS HE3 . . 4.720 4.062 2.960 4.720 . 0 0 "[ . 1 . 2]" 1
796 1 48 TYR HB2 1 48 TYR HE2 . . 4.980 4.790 4.770 4.829 . 0 0 "[ . 1 . 2]" 1
797 1 48 TYR HB2 1 49 THR H . . 4.130 2.957 2.774 3.225 . 0 0 "[ . 1 . 2]" 1
798 1 48 TYR HB2 1 53 LYS H . . 4.830 3.247 2.770 3.876 . 0 0 "[ . 1 . 2]" 1
799 1 48 TYR HB2 1 53 LYS QG . . 4.510 4.208 3.744 4.478 . 0 0 "[ . 1 . 2]" 1
800 1 48 TYR HB3 1 49 THR H . . 3.610 2.241 2.069 2.316 . 0 0 "[ . 1 . 2]" 1
801 1 48 TYR HB3 1 53 LYS H . . 4.750 4.413 3.970 4.749 . 0 0 "[ . 1 . 2]" 1
802 1 49 THR H 1 49 THR MG . . 3.440 2.250 1.945 2.493 . 0 0 "[ . 1 . 2]" 1
803 1 49 THR H 1 52 ASN H . . 4.510 4.024 3.789 4.257 . 0 0 "[ . 1 . 2]" 1
804 1 49 THR H 1 52 ASN HB2 . . 4.730 3.901 3.085 4.730 0.000 4 0 "[ . 1 . 2]" 1
805 1 49 THR H 1 52 ASN HB3 . . 4.660 3.609 2.893 4.249 . 0 0 "[ . 1 . 2]" 1
806 1 49 THR H 1 79 LYS QE . . 4.610 3.350 2.349 4.611 0.001 17 0 "[ . 1 . 2]" 1
807 1 49 THR HA 1 49 THR HB . . 2.810 2.590 2.502 2.638 . 0 0 "[ . 1 . 2]" 1
808 1 49 THR HA 1 49 THR MG . . 3.030 2.339 2.205 2.485 . 0 0 "[ . 1 . 2]" 1
809 1 49 THR HA 1 50 ALA H . . 3.250 2.566 2.323 2.686 . 0 0 "[ . 1 . 2]" 1
810 1 49 THR HA 1 51 ALA H . . 4.070 4.011 3.876 4.071 0.001 7 0 "[ . 1 . 2]" 1
811 1 49 THR HA 1 79 LYS QG . . 5.340 4.866 4.574 5.194 . 0 0 "[ . 1 . 2]" 1
812 1 49 THR HB 1 50 ALA H . . 3.130 2.335 2.105 2.877 . 0 0 "[ . 1 . 2]" 1
813 1 49 THR HB 1 50 ALA MB . . 4.160 3.995 3.864 4.159 . 0 0 "[ . 1 . 2]" 1
814 1 49 THR HB 1 51 ALA MB . . 3.790 3.125 2.846 3.354 . 0 0 "[ . 1 . 2]" 1
815 1 49 THR HG1 1 78 THR HA . . 3.490 2.515 2.175 2.789 . 0 0 "[ . 1 . 2]" 1
816 1 49 THR HG1 1 78 THR HB . . 4.450 4.325 3.462 4.449 . 0 0 "[ . 1 . 2]" 1
817 1 49 THR HG1 1 79 LYS H . . 3.850 3.667 3.225 3.849 . 0 0 "[ . 1 . 2]" 1
818 1 49 THR MG 1 50 ALA H . . 4.110 3.644 3.499 3.861 . 0 0 "[ . 1 . 2]" 1
819 1 49 THR MG 1 51 ALA H . . 4.740 4.072 4.006 4.129 . 0 0 "[ . 1 . 2]" 1
820 1 49 THR MG 1 78 THR HA . . 3.810 3.270 2.086 3.720 . 0 0 "[ . 1 . 2]" 1
821 1 49 THR MG 1 79 LYS H . . 3.680 3.383 2.745 3.679 . 0 0 "[ . 1 . 2]" 1
822 1 49 THR MG 1 79 LYS HA . . 4.690 4.357 3.956 4.623 . 0 0 "[ . 1 . 2]" 1
823 1 49 THR MG 1 79 LYS HD2 . . 3.840 3.376 2.133 3.839 . 0 0 "[ . 1 . 2]" 1
824 1 49 THR MG 1 79 LYS HD3 . . 3.840 2.433 1.871 3.682 . 0 0 "[ . 1 . 2]" 1
825 1 49 THR MG 1 79 LYS QE . . 4.050 2.323 1.749 3.630 . 0 0 "[ . 1 . 2]" 1
826 1 49 THR MG 1 79 LYS HG2 . . 4.030 2.176 1.779 2.665 . 0 0 "[ . 1 . 2]" 1
827 1 49 THR MG 1 79 LYS QG . . 3.240 1.879 1.752 2.135 . 0 0 "[ . 1 . 2]" 1
828 1 49 THR MG 1 79 LYS HG3 . . 4.030 2.223 1.834 3.149 . 0 0 "[ . 1 . 2]" 1
829 1 50 ALA H 1 50 ALA MB . . 3.600 2.122 1.973 2.239 . 0 0 "[ . 1 . 2]" 1
830 1 50 ALA H 1 51 ALA H . . 4.280 2.464 2.238 2.679 . 0 0 "[ . 1 . 2]" 1
831 1 50 ALA HA 1 53 LYS H . . 3.720 3.512 3.112 3.719 . 0 0 "[ . 1 . 2]" 1
832 1 50 ALA HA 1 53 LYS HB2 . . 3.690 3.279 2.704 3.644 . 0 0 "[ . 1 . 2]" 1
833 1 50 ALA HA 1 53 LYS HB3 . . 3.420 2.672 2.062 3.336 . 0 0 "[ . 1 . 2]" 1
834 1 50 ALA HA 1 54 ASN H . . 4.280 3.768 3.070 4.278 . 0 0 "[ . 1 . 2]" 1
835 1 50 ALA HA 1 54 ASN QD . . 5.180 4.256 3.002 5.015 . 0 0 "[ . 1 . 2]" 1
836 1 50 ALA MB 1 51 ALA H . . 3.550 3.256 2.942 3.551 0.001 14 0 "[ . 1 . 2]" 1
837 1 50 ALA MB 1 54 ASN H . . 5.100 4.619 3.952 5.096 . 0 0 "[ . 1 . 2]" 1
838 1 50 ALA MB 1 54 ASN QD . . 4.070 3.682 2.859 4.070 0.000 18 0 "[ . 1 . 2]" 1
839 1 51 ALA H 1 51 ALA MB . . 3.110 2.166 2.005 2.279 . 0 0 "[ . 1 . 2]" 1
840 1 51 ALA H 1 52 ASN H . . 3.750 2.338 2.102 2.893 . 0 0 "[ . 1 . 2]" 1
841 1 51 ALA HA 1 54 ASN H . . 4.290 3.906 3.284 4.288 . 0 0 "[ . 1 . 2]" 1
842 1 51 ALA HA 1 54 ASN QB . . 4.010 3.230 2.537 4.010 0.000 12 0 "[ . 1 . 2]" 1
843 1 51 ALA HA 1 55 LYS H . . 5.200 4.964 4.670 5.201 0.001 4 0 "[ . 1 . 2]" 1
844 1 51 ALA HA 1 75 ILE MG . . 4.790 4.283 3.210 4.788 . 0 0 "[ . 1 . 2]" 1
845 1 51 ALA MB 1 52 ASN H . . 3.370 2.661 2.209 3.107 . 0 0 "[ . 1 . 2]" 1
846 1 51 ALA MB 1 75 ILE MG . . 2.960 2.549 1.802 2.960 . 0 0 "[ . 1 . 2]" 1
847 1 51 ALA MB 1 77 GLY QA . . 3.690 3.246 2.350 3.659 . 0 0 "[ . 1 . 2]" 1
848 1 51 ALA MB 1 78 THR H . . 4.390 4.055 3.181 4.385 . 0 0 "[ . 1 . 2]" 1
849 1 51 ALA MB 1 78 THR HA . . 4.020 3.528 2.727 4.021 0.001 17 0 "[ . 1 . 2]" 1
850 1 52 ASN H 1 52 ASN HB2 . . 3.380 2.423 2.191 2.720 . 0 0 "[ . 1 . 2]" 1
851 1 52 ASN H 1 52 ASN HB3 . . 3.450 2.659 2.525 2.807 . 0 0 "[ . 1 . 2]" 1
852 1 52 ASN H 1 75 ILE MG . . 4.200 3.520 2.935 4.168 . 0 0 "[ . 1 . 2]" 1
853 1 52 ASN HB2 1 53 LYS H . . 4.140 3.622 3.420 4.096 . 0 0 "[ . 1 . 2]" 1
854 1 52 ASN HB2 1 75 ILE MG . . 4.420 2.826 2.423 3.299 . 0 0 "[ . 1 . 2]" 1
855 1 52 ASN HB2 1 78 THR HA . . 4.590 4.373 3.864 4.591 0.001 19 0 "[ . 1 . 2]" 1
856 1 52 ASN HB3 1 53 LYS H . . 3.760 2.461 2.035 3.115 . 0 0 "[ . 1 . 2]" 1
857 1 52 ASN HB3 1 53 LYS HB2 . . 4.560 4.004 3.711 4.346 . 0 0 "[ . 1 . 2]" 1
858 1 52 ASN HB3 1 75 ILE MG . . 4.650 4.121 3.729 4.504 . 0 0 "[ . 1 . 2]" 1
859 1 52 ASN QD 1 53 LYS H . . 4.760 3.500 3.013 3.898 . 0 0 "[ . 1 . 2]" 1
860 1 52 ASN QD 1 53 LYS HA . . 4.490 3.094 2.742 3.510 . 0 0 "[ . 1 . 2]" 1
861 1 52 ASN QD 1 75 ILE MD . . 4.000 3.454 3.193 3.882 . 0 0 "[ . 1 . 2]" 1
862 1 52 ASN HD21 1 53 LYS HA . . 5.170 3.138 2.773 3.572 . 0 0 "[ . 1 . 2]" 1
863 1 52 ASN HD22 1 53 LYS HA . . 5.170 4.711 4.317 5.150 . 0 0 "[ . 1 . 2]" 1
864 1 53 LYS H 1 53 LYS HB2 . . 3.450 2.210 2.104 2.638 . 0 0 "[ . 1 . 2]" 1
865 1 53 LYS H 1 53 LYS HB3 . . 3.350 2.779 2.381 2.943 . 0 0 "[ . 1 . 2]" 1
866 1 53 LYS H 1 53 LYS QG . . 3.940 3.798 3.698 3.942 0.002 4 0 "[ . 1 . 2]" 1
867 1 53 LYS H 1 54 ASN H . . 3.420 2.802 2.402 3.090 . 0 0 "[ . 1 . 2]" 1
868 1 53 LYS HA 1 53 LYS HD2 . . 4.520 4.482 4.438 4.518 . 0 0 "[ . 1 . 2]" 1
869 1 53 LYS HA 1 53 LYS HD3 . . 4.700 4.461 4.348 4.700 0.000 4 0 "[ . 1 . 2]" 1
870 1 53 LYS HA 1 53 LYS QG . . 3.810 2.283 2.206 2.487 . 0 0 "[ . 1 . 2]" 1
871 1 53 LYS HB2 1 53 LYS HD2 . . 2.870 2.710 2.613 2.769 . 0 0 "[ . 1 . 2]" 1
872 1 53 LYS HB2 1 54 ASN H . . 4.220 3.827 3.452 4.191 . 0 0 "[ . 1 . 2]" 1
873 1 53 LYS HB3 1 53 LYS HD2 . . 2.550 2.485 2.368 2.547 . 0 0 "[ . 1 . 2]" 1
874 1 53 LYS HB3 1 53 LYS HD3 . . 2.700 2.626 2.532 2.699 . 0 0 "[ . 1 . 2]" 1
875 1 53 LYS HB3 1 53 LYS QE . . 4.680 4.053 3.975 4.126 . 0 0 "[ . 1 . 2]" 1
876 1 53 LYS HB3 1 54 ASN H . . 4.020 2.856 2.252 3.396 . 0 0 "[ . 1 . 2]" 1
877 1 53 LYS HD3 1 53 LYS QG . . 2.600 2.301 2.277 2.332 . 0 0 "[ . 1 . 2]" 1
878 1 53 LYS HD3 1 54 ASN H . . 5.500 5.015 4.490 5.500 . 0 0 "[ . 1 . 2]" 1
879 1 53 LYS QE 1 53 LYS QG . . 3.280 2.303 2.058 2.517 . 0 0 "[ . 1 . 2]" 1
880 1 53 LYS QG 1 54 ASN H . . 5.380 4.206 3.926 4.431 . 0 0 "[ . 1 . 2]" 1
881 1 54 ASN H 1 54 ASN HB2 . . 3.840 2.451 2.144 3.554 . 0 0 "[ . 1 . 2]" 1
882 1 54 ASN H 1 54 ASN QB . . 3.140 2.235 2.093 2.624 . 0 0 "[ . 1 . 2]" 1
883 1 54 ASN H 1 54 ASN HB3 . . 3.840 3.159 2.296 3.548 . 0 0 "[ . 1 . 2]" 1
884 1 54 ASN H 1 55 LYS H . . 3.470 2.660 2.167 2.963 . 0 0 "[ . 1 . 2]" 1
885 1 54 ASN H 1 55 LYS QB . . 5.270 4.283 3.770 4.612 . 0 0 "[ . 1 . 2]" 1
886 1 54 ASN QB 1 55 LYS H . . 4.000 2.805 2.180 3.755 . 0 0 "[ . 1 . 2]" 1
887 1 54 ASN HB2 1 55 LYS H . . 4.790 3.198 2.202 4.223 . 0 0 "[ . 1 . 2]" 1
888 1 54 ASN HB3 1 55 LYS H . . 4.790 3.350 2.293 4.343 . 0 0 "[ . 1 . 2]" 1
889 1 55 LYS H 1 55 LYS QB . . 3.140 2.124 2.062 2.378 . 0 0 "[ . 1 . 2]" 1
890 1 55 LYS H 1 55 LYS QD . . 4.710 3.716 3.487 4.189 . 0 0 "[ . 1 . 2]" 1
891 1 55 LYS H 1 55 LYS HG2 . . 4.760 4.400 2.717 4.759 . 0 0 "[ . 1 . 2]" 1
892 1 55 LYS H 1 55 LYS HG3 . . 4.760 4.374 3.875 4.509 . 0 0 "[ . 1 . 2]" 1
893 1 55 LYS H 1 56 GLY H . . 4.690 4.514 3.188 4.672 . 0 0 "[ . 1 . 2]" 1
894 1 55 LYS H 1 75 ILE MG . . 5.220 4.648 4.251 5.011 . 0 0 "[ . 1 . 2]" 1
895 1 55 LYS HA 1 55 LYS QD . . 3.530 2.123 1.915 3.145 . 0 0 "[ . 1 . 2]" 1
896 1 55 LYS HA 1 55 LYS QE . . 4.990 3.708 2.475 4.160 . 0 0 "[ . 1 . 2]" 1
897 1 55 LYS HA 1 55 LYS QG . . 3.670 2.566 2.326 2.802 . 0 0 "[ . 1 . 2]" 1
898 1 55 LYS QB 1 55 LYS QD . . 2.570 2.304 2.061 2.508 . 0 0 "[ . 1 . 2]" 1
899 1 55 LYS QB 1 56 GLY H . . 4.260 3.557 2.690 4.082 . 0 0 "[ . 1 . 2]" 1
900 1 55 LYS QB 1 57 ILE H . . 4.550 4.052 2.593 4.481 . 0 0 "[ . 1 . 2]" 1
901 1 55 LYS QB 1 57 ILE QG . . 4.660 3.631 2.624 4.083 . 0 0 "[ . 1 . 2]" 1
902 1 55 LYS QD 1 55 LYS QE . . 2.370 2.094 2.014 2.134 . 0 0 "[ . 1 . 2]" 1
903 1 55 LYS QE 1 55 LYS QG . . 3.210 2.174 2.024 2.436 . 0 0 "[ . 1 . 2]" 1
904 1 55 LYS QE 1 57 ILE QG . . 3.930 2.771 2.134 3.712 . 0 0 "[ . 1 . 2]" 1
905 1 55 LYS QE 1 57 ILE MG . . 3.960 3.177 2.678 3.959 . 0 0 "[ . 1 . 2]" 1
906 1 55 LYS QE 1 74 TYR QD . . 4.120 2.877 2.091 4.055 . 0 0 "[ . 1 . 2]" 1
907 1 55 LYS QE 1 74 TYR QE . . 3.680 2.266 1.794 3.670 . 0 0 "[ . 1 . 2]" 1
908 1 55 LYS HE2 1 55 LYS HG2 . . 4.150 2.925 2.116 4.092 . 0 0 "[ . 1 . 2]" 1
909 1 55 LYS HE2 1 55 LYS HG3 . . 4.150 3.156 2.370 3.773 . 0 0 "[ . 1 . 2]" 1
910 1 55 LYS HE3 1 55 LYS HG2 . . 4.150 3.121 2.457 3.848 . 0 0 "[ . 1 . 2]" 1
911 1 55 LYS HE3 1 55 LYS HG3 . . 4.150 2.866 2.110 4.147 . 0 0 "[ . 1 . 2]" 1
912 1 55 LYS QG 1 57 ILE H . . 4.380 3.453 2.667 4.380 0.000 14 0 "[ . 1 . 2]" 1
913 1 55 LYS QG 1 57 ILE QG . . 4.080 2.334 1.969 3.524 . 0 0 "[ . 1 . 2]" 1
914 1 55 LYS QG 1 74 TYR QE . . 3.490 2.806 2.424 3.385 . 0 0 "[ . 1 . 2]" 1
915 1 55 LYS HG2 1 74 TYR QE . . 4.070 3.072 2.613 4.070 0.000 4 0 "[ . 1 . 2]" 1
916 1 55 LYS HG3 1 74 TYR QE . . 4.070 3.626 2.444 4.067 . 0 0 "[ . 1 . 2]" 1
917 1 56 GLY H 1 57 ILE H . . 4.150 3.295 1.902 4.151 0.001 1 0 "[ . 1 . 2]" 1
918 1 56 GLY QA 1 57 ILE MG . . 4.440 3.584 3.425 3.825 . 0 0 "[ . 1 . 2]" 1
919 1 56 GLY HA2 1 57 ILE MG . . 5.110 4.187 3.972 4.638 . 0 0 "[ . 1 . 2]" 1
920 1 56 GLY HA3 1 57 ILE MG . . 5.110 3.899 3.702 4.074 . 0 0 "[ . 1 . 2]" 1
921 1 57 ILE H 1 57 ILE HB . . 4.150 3.853 3.616 3.944 . 0 0 "[ . 1 . 2]" 1
922 1 57 ILE H 1 57 ILE MD . . 4.090 3.372 3.033 4.055 . 0 0 "[ . 1 . 2]" 1
923 1 57 ILE H 1 57 ILE QG . . 3.190 2.207 1.941 2.356 . 0 0 "[ . 1 . 2]" 1
924 1 57 ILE H 1 57 ILE MG . . 3.420 3.099 2.532 3.316 . 0 0 "[ . 1 . 2]" 1
925 1 57 ILE HA 1 57 ILE MG . . 3.150 2.274 2.157 2.349 . 0 0 "[ . 1 . 2]" 1
926 1 57 ILE HA 1 58 ILE H . . 3.230 2.446 2.241 2.661 . 0 0 "[ . 1 . 2]" 1
927 1 57 ILE HB 1 57 ILE MD . . 3.370 2.088 1.988 2.169 . 0 0 "[ . 1 . 2]" 1
928 1 57 ILE HB 1 58 ILE H . . 3.350 2.562 2.112 3.101 . 0 0 "[ . 1 . 2]" 1
929 1 57 ILE HB 1 63 THR MG . . 3.920 3.670 3.121 3.881 . 0 0 "[ . 1 . 2]" 1
930 1 57 ILE MD 1 57 ILE MG . . 3.320 3.126 2.426 3.223 . 0 0 "[ . 1 . 2]" 1
931 1 57 ILE MD 1 58 ILE H . . 4.180 3.042 2.459 3.484 . 0 0 "[ . 1 . 2]" 1
932 1 57 ILE MD 1 58 ILE HA . . 4.500 3.518 2.949 4.491 . 0 0 "[ . 1 . 2]" 1
933 1 57 ILE MD 1 59 TRP H . . 4.710 3.849 3.386 4.383 . 0 0 "[ . 1 . 2]" 1
934 1 57 ILE MD 1 59 TRP HA . . 4.000 3.142 2.807 3.643 . 0 0 "[ . 1 . 2]" 1
935 1 57 ILE MD 1 59 TRP HE3 . . 4.470 3.589 3.253 3.858 . 0 0 "[ . 1 . 2]" 1
936 1 57 ILE MD 1 59 TRP HZ3 . . 4.820 3.632 3.263 4.092 . 0 0 "[ . 1 . 2]" 1
937 1 57 ILE MD 1 60 GLY H . . 5.470 4.556 3.722 5.373 . 0 0 "[ . 1 . 2]" 1
938 1 57 ILE MD 1 63 THR HA . . 5.160 4.781 4.329 5.060 . 0 0 "[ . 1 . 2]" 1
939 1 57 ILE MD 1 63 THR HB . . 3.160 2.909 2.398 3.160 0.000 7 0 "[ . 1 . 2]" 1
940 1 57 ILE MD 1 63 THR MG . . 3.540 2.731 2.116 3.214 . 0 0 "[ . 1 . 2]" 1
941 1 57 ILE MD 1 74 TYR QD . . 5.500 4.669 3.824 5.256 . 0 0 "[ . 1 . 2]" 1
942 1 57 ILE MD 1 74 TYR QE . . 3.510 2.785 1.815 3.418 . 0 0 "[ . 1 . 2]" 1
943 1 57 ILE QG 1 57 ILE MG . . 3.080 2.109 1.994 2.155 . 0 0 "[ . 1 . 2]" 1
944 1 57 ILE QG 1 63 THR HB . . 5.340 4.782 4.168 5.074 . 0 0 "[ . 1 . 2]" 1
945 1 57 ILE QG 1 74 TYR QE . . 3.630 2.632 2.170 3.250 . 0 0 "[ . 1 . 2]" 1
946 1 57 ILE HG12 1 57 ILE MG . . 3.630 2.209 2.049 2.321 . 0 0 "[ . 1 . 2]" 1
947 1 57 ILE HG12 1 74 TYR QE . . 4.150 2.703 2.191 3.461 . 0 0 "[ . 1 . 2]" 1
948 1 57 ILE HG13 1 57 ILE MG . . 3.630 2.699 2.537 3.157 . 0 0 "[ . 1 . 2]" 1
949 1 57 ILE HG13 1 74 TYR QE . . 4.150 3.697 3.255 4.152 0.002 15 0 "[ . 1 . 2]" 1
950 1 57 ILE MG 1 58 ILE H . . 3.980 3.761 3.506 3.978 . 0 0 "[ . 1 . 2]" 1
951 1 57 ILE MG 1 63 THR MG . . 4.710 4.447 4.083 4.706 . 0 0 "[ . 1 . 2]" 1
952 1 57 ILE MG 1 74 TYR QE . . 4.630 4.082 3.506 4.627 . 0 0 "[ . 1 . 2]" 1
953 1 58 ILE H 1 58 ILE HB . . 3.380 2.367 2.168 2.577 . 0 0 "[ . 1 . 2]" 1
954 1 58 ILE H 1 58 ILE MD . . 4.320 3.911 3.205 4.319 . 0 0 "[ . 1 . 2]" 1
955 1 58 ILE H 1 58 ILE QG . . 3.800 2.595 2.143 3.334 . 0 0 "[ . 1 . 2]" 1
956 1 58 ILE H 1 58 ILE MG . . 4.060 3.691 3.567 3.819 . 0 0 "[ . 1 . 2]" 1
957 1 58 ILE H 1 59 TRP H . . 4.730 4.541 4.216 4.638 . 0 0 "[ . 1 . 2]" 1
958 1 58 ILE HA 1 58 ILE MD . . 3.440 2.205 1.980 2.292 . 0 0 "[ . 1 . 2]" 1
959 1 58 ILE HA 1 58 ILE QG . . 3.690 2.643 2.409 3.035 . 0 0 "[ . 1 . 2]" 1
960 1 58 ILE HA 1 58 ILE MG . . 3.270 2.466 2.272 2.630 . 0 0 "[ . 1 . 2]" 1
961 1 58 ILE HA 1 59 TRP H . . 2.940 2.266 2.177 2.482 . 0 0 "[ . 1 . 2]" 1
962 1 58 ILE HB 1 58 ILE MD . . 3.410 3.177 3.161 3.214 . 0 0 "[ . 1 . 2]" 1
963 1 58 ILE HB 1 59 TRP H . . 4.710 4.159 3.668 4.534 . 0 0 "[ . 1 . 2]" 1
964 1 58 ILE MD 1 58 ILE MG . . 2.400 1.890 1.812 2.066 . 0 0 "[ . 1 . 2]" 1
965 1 58 ILE MD 1 59 TRP H . . 3.900 3.421 3.067 3.694 . 0 0 "[ . 1 . 2]" 1
966 1 58 ILE QG 1 59 TRP H . . 4.790 4.465 4.283 4.785 . 0 0 "[ . 1 . 2]" 1
967 1 58 ILE HG12 1 59 TRP H . . 5.500 4.796 4.564 5.273 . 0 0 "[ . 1 . 2]" 1
968 1 58 ILE HG13 1 59 TRP H . . 5.500 5.337 5.023 5.492 . 0 0 "[ . 1 . 2]" 1
969 1 58 ILE MG 1 59 TRP H . . 3.540 2.422 1.814 2.991 . 0 0 "[ . 1 . 2]" 1
970 1 58 ILE MG 1 59 TRP QB . . 4.890 3.745 3.500 3.998 . 0 0 "[ . 1 . 2]" 1
971 1 59 TRP H 1 59 TRP HB2 . . 3.980 2.272 2.146 2.403 . 0 0 "[ . 1 . 2]" 1
972 1 59 TRP H 1 59 TRP QB . . 3.400 2.245 2.126 2.366 . 0 0 "[ . 1 . 2]" 1
973 1 59 TRP H 1 59 TRP HB3 . . 3.980 3.520 3.444 3.596 . 0 0 "[ . 1 . 2]" 1
974 1 59 TRP H 1 59 TRP HD1 . . 4.080 3.549 3.093 3.936 . 0 0 "[ . 1 . 2]" 1
975 1 59 TRP HA 1 59 TRP HE3 . . 4.740 2.135 2.004 2.501 . 0 0 "[ . 1 . 2]" 1
976 1 59 TRP HA 1 60 GLY H . . 3.150 2.348 2.204 2.517 . 0 0 "[ . 1 . 2]" 1
977 1 59 TRP HA 1 63 THR MG . . 3.910 3.551 3.234 3.908 . 0 0 "[ . 1 . 2]" 1
978 1 59 TRP HA 1 64 LEU MD2 . . 4.650 4.221 3.274 4.636 . 0 0 "[ . 1 . 2]" 1
979 1 59 TRP QB 1 59 TRP HE1 . . 4.570 4.522 4.513 4.540 . 0 0 "[ . 1 . 2]" 1
980 1 59 TRP QB 1 60 GLY H . . 4.410 3.093 2.399 3.902 . 0 0 "[ . 1 . 2]" 1
981 1 59 TRP QB 1 64 LEU MD2 . . 5.140 3.291 2.412 3.874 . 0 0 "[ . 1 . 2]" 1
982 1 59 TRP HB2 1 59 TRP HD1 . . 3.720 2.606 2.603 2.620 . 0 0 "[ . 1 . 2]" 1
983 1 59 TRP HB3 1 59 TRP HD1 . . 3.720 3.604 3.538 3.710 . 0 0 "[ . 1 . 2]" 1
984 1 59 TRP HE3 1 60 GLY H . . 4.180 2.886 2.318 3.661 . 0 0 "[ . 1 . 2]" 1
985 1 59 TRP HE3 1 63 THR HG1 . . 4.470 2.924 2.025 3.755 . 0 0 "[ . 1 . 2]" 1
986 1 59 TRP HE3 1 63 THR MG . . 4.970 4.154 3.885 4.624 . 0 0 "[ . 1 . 2]" 1
987 1 59 TRP HE3 1 64 LEU H . . 4.350 3.924 3.250 4.345 . 0 0 "[ . 1 . 2]" 1
988 1 59 TRP HE3 1 64 LEU HA . . 4.400 3.761 2.981 4.339 . 0 0 "[ . 1 . 2]" 1
989 1 59 TRP HE3 1 64 LEU MD2 . . 4.000 2.609 1.939 3.147 . 0 0 "[ . 1 . 2]" 1
990 1 59 TRP HE3 1 64 LEU HG . . 3.720 2.581 2.129 3.133 . 0 0 "[ . 1 . 2]" 1
991 1 59 TRP HH2 1 67 TYR HB2 . . 4.660 3.486 3.059 3.851 . 0 0 "[ . 1 . 2]" 1
992 1 59 TRP HH2 1 67 TYR QB . . 4.030 3.365 2.976 3.620 . 0 0 "[ . 1 . 2]" 1
993 1 59 TRP HH2 1 67 TYR HB3 . . 4.660 4.459 4.069 4.650 . 0 0 "[ . 1 . 2]" 1
994 1 59 TRP HH2 1 74 TYR QD . . 3.950 3.720 3.207 3.948 . 0 0 "[ . 1 . 2]" 1
995 1 59 TRP HH2 1 74 TYR QE . . 4.030 3.644 3.205 3.963 . 0 0 "[ . 1 . 2]" 1
996 1 59 TRP HH2 1 75 ILE MD . . 3.810 2.841 2.134 3.475 . 0 0 "[ . 1 . 2]" 1
997 1 59 TRP HZ2 1 75 ILE MD . . 3.650 2.717 2.223 3.177 . 0 0 "[ . 1 . 2]" 1
998 1 59 TRP HZ3 1 64 LEU HA . . 3.780 3.247 2.921 3.705 . 0 0 "[ . 1 . 2]" 1
999 1 59 TRP HZ3 1 64 LEU MD2 . . 3.960 2.966 2.477 3.590 . 0 0 "[ . 1 . 2]" 1
1000 1 59 TRP HZ3 1 64 LEU HG . . 4.270 4.058 3.240 4.270 0.000 11 0 "[ . 1 . 2]" 1
1001 1 59 TRP HZ3 1 67 TYR H . . 4.690 4.285 3.896 4.668 . 0 0 "[ . 1 . 2]" 1
1002 1 59 TRP HZ3 1 67 TYR HB2 . . 4.450 2.442 2.073 2.781 . 0 0 "[ . 1 . 2]" 1
1003 1 59 TRP HZ3 1 67 TYR QB . . 3.750 2.367 2.035 2.723 . 0 0 "[ . 1 . 2]" 1
1004 1 59 TRP HZ3 1 67 TYR HB3 . . 4.450 3.246 2.801 3.879 . 0 0 "[ . 1 . 2]" 1
1005 1 59 TRP HZ3 1 74 TYR QD . . 4.640 4.409 3.722 4.640 . 0 0 "[ . 1 . 2]" 1
1006 1 60 GLY H 1 63 THR H . . 4.250 3.687 3.141 4.043 . 0 0 "[ . 1 . 2]" 1
1007 1 60 GLY H 1 63 THR HA . . 5.500 5.150 4.967 5.413 . 0 0 "[ . 1 . 2]" 1
1008 1 60 GLY H 1 63 THR HG1 . . 3.360 2.027 1.950 2.283 . 0 0 "[ . 1 . 2]" 1
1009 1 60 GLY H 1 63 THR MG . . 4.520 3.234 2.183 3.988 . 0 0 "[ . 1 . 2]" 1
1010 1 60 GLY H 1 64 LEU H . . 4.060 3.397 2.693 3.907 . 0 0 "[ . 1 . 2]" 1
1011 1 60 GLY H 1 64 LEU MD1 . . 5.180 3.420 2.443 4.302 . 0 0 "[ . 1 . 2]" 1
1012 1 60 GLY H 1 64 LEU MD2 . . 4.850 4.137 3.642 4.799 . 0 0 "[ . 1 . 2]" 1
1013 1 60 GLY H 1 64 LEU HG . . 4.000 2.817 2.185 3.860 . 0 0 "[ . 1 . 2]" 1
1014 1 60 GLY QA 1 62 ASP H . . 4.500 3.427 2.930 4.032 . 0 0 "[ . 1 . 2]" 1
1015 1 60 GLY QA 1 63 THR H . . 4.930 3.572 3.193 3.994 . 0 0 "[ . 1 . 2]" 1
1016 1 61 GLU HA 1 61 GLU HG2 . . 3.900 2.618 2.088 3.777 . 0 0 "[ . 1 . 2]" 1
1017 1 61 GLU HA 1 61 GLU QG . . 3.370 2.373 2.054 3.312 . 0 0 "[ . 1 . 2]" 1
1018 1 61 GLU HA 1 61 GLU HG3 . . 3.900 3.064 2.345 3.663 . 0 0 "[ . 1 . 2]" 1
1019 1 61 GLU HA 1 64 LEU QB . . 3.810 2.635 2.006 3.173 . 0 0 "[ . 1 . 2]" 1
1020 1 61 GLU HA 1 64 LEU MD1 . . 4.360 2.955 2.347 3.437 . 0 0 "[ . 1 . 2]" 1
1021 1 61 GLU HA 1 64 LEU HG . . 4.780 4.286 3.316 4.774 . 0 0 "[ . 1 . 2]" 1
1022 1 61 GLU HA 1 65 MET H . . 4.810 3.956 3.474 4.417 . 0 0 "[ . 1 . 2]" 1
1023 1 61 GLU HA 1 95 ILE MD . . 4.010 3.267 2.430 3.872 . 0 0 "[ . 1 . 2]" 1
1024 1 61 GLU HA 1 95 ILE QG . . 5.310 4.176 3.119 4.670 . 0 0 "[ . 1 . 2]" 1
1025 1 61 GLU HA 1 95 ILE MG . . 3.190 2.440 1.969 3.178 . 0 0 "[ . 1 . 2]" 1
1026 1 61 GLU QB 1 61 GLU QG . . 2.480 2.111 2.058 2.135 . 0 0 "[ . 1 . 2]" 1
1027 1 61 GLU QB 1 62 ASP H . . 3.550 2.826 2.253 3.548 . 0 0 "[ . 1 . 2]" 1
1028 1 61 GLU QB 1 95 ILE MD . . 4.740 3.845 3.013 4.609 . 0 0 "[ . 1 . 2]" 1
1029 1 61 GLU QB 1 95 ILE MG . . 3.710 3.049 1.663 3.642 . 0 0 "[ . 1 . 2]" 1
1030 1 61 GLU QG 1 62 ASP H . . 4.710 4.022 2.055 4.546 . 0 0 "[ . 1 . 2]" 1
1031 1 61 GLU QG 1 95 ILE MD . . 5.020 4.019 2.339 4.951 . 0 0 "[ . 1 . 2]" 1
1032 1 61 GLU QG 1 95 ILE MG . . 3.400 2.342 1.772 3.398 . 0 0 "[ . 1 . 2]" 1
1033 1 61 GLU HG2 1 62 ASP H . . 5.440 4.783 3.268 5.420 . 0 0 "[ . 1 . 2]" 1
1034 1 61 GLU HG2 1 95 ILE MG . . 3.920 2.499 2.068 3.725 . 0 0 "[ . 1 . 2]" 1
1035 1 61 GLU HG3 1 62 ASP H . . 5.440 4.414 2.077 5.431 . 0 0 "[ . 1 . 2]" 1
1036 1 61 GLU HG3 1 95 ILE MG . . 3.920 3.349 1.920 3.920 0.000 18 0 "[ . 1 . 2]" 1
1037 1 62 ASP H 1 62 ASP HB2 . . 3.580 2.460 2.155 3.562 . 0 0 "[ . 1 . 2]" 1
1038 1 62 ASP H 1 62 ASP QB . . 3.090 2.243 2.108 2.725 . 0 0 "[ . 1 . 2]" 1
1039 1 62 ASP H 1 62 ASP HB3 . . 3.580 3.030 2.240 3.551 . 0 0 "[ . 1 . 2]" 1
1040 1 62 ASP H 1 63 THR H . . 2.840 2.629 2.215 2.839 . 0 0 "[ . 1 . 2]" 1
1041 1 62 ASP H 1 65 MET QB . . 5.340 4.542 4.087 4.926 . 0 0 "[ . 1 . 2]" 1
1042 1 62 ASP HA 1 65 MET H . . 4.210 3.402 2.975 4.170 . 0 0 "[ . 1 . 2]" 1
1043 1 62 ASP HA 1 65 MET HB2 . . 4.250 2.714 2.051 3.706 . 0 0 "[ . 1 . 2]" 1
1044 1 62 ASP HA 1 65 MET QB . . 3.680 2.434 1.996 3.311 . 0 0 "[ . 1 . 2]" 1
1045 1 62 ASP HA 1 65 MET HB3 . . 4.250 3.398 2.014 4.125 . 0 0 "[ . 1 . 2]" 1
1046 1 62 ASP QB 1 63 THR H . . 3.420 2.423 1.972 3.330 . 0 0 "[ . 1 . 2]" 1
1047 1 62 ASP HB2 1 63 THR H . . 3.970 3.050 2.060 3.868 . 0 0 "[ . 1 . 2]" 1
1048 1 62 ASP HB2 1 63 THR MG . . 4.440 3.681 2.782 4.422 . 0 0 "[ . 1 . 2]" 1
1049 1 62 ASP HB3 1 63 THR H . . 3.970 2.945 1.984 3.905 . 0 0 "[ . 1 . 2]" 1
1050 1 62 ASP HB3 1 63 THR MG . . 4.440 3.400 2.724 4.404 . 0 0 "[ . 1 . 2]" 1
1051 1 63 THR H 1 63 THR HG1 . . 3.680 2.766 1.950 3.544 . 0 0 "[ . 1 . 2]" 1
1052 1 63 THR H 1 63 THR MG . . 3.310 2.126 1.876 2.485 . 0 0 "[ . 1 . 2]" 1
1053 1 63 THR H 1 64 LEU H . . 3.460 2.739 2.379 3.077 . 0 0 "[ . 1 . 2]" 1
1054 1 63 THR H 1 65 MET H . . 4.740 4.102 3.526 4.631 . 0 0 "[ . 1 . 2]" 1
1055 1 63 THR HA 1 63 THR HB . . 3.010 2.536 2.430 2.636 . 0 0 "[ . 1 . 2]" 1
1056 1 63 THR HA 1 63 THR MG . . 3.040 2.417 2.221 2.543 . 0 0 "[ . 1 . 2]" 1
1057 1 63 THR HA 1 65 MET H . . 5.500 4.370 3.682 5.022 . 0 0 "[ . 1 . 2]" 1
1058 1 63 THR HA 1 66 GLU H . . 3.890 3.677 3.410 3.889 . 0 0 "[ . 1 . 2]" 1
1059 1 63 THR HA 1 66 GLU QB . . 3.700 3.242 2.715 3.685 . 0 0 "[ . 1 . 2]" 1
1060 1 63 THR HA 1 67 TYR H . . 4.480 4.128 3.701 4.400 . 0 0 "[ . 1 . 2]" 1
1061 1 63 THR HB 1 64 LEU H . . 4.820 3.781 3.263 4.127 . 0 0 "[ . 1 . 2]" 1
1062 1 63 THR HB 1 74 TYR QE . . 4.220 3.406 2.373 3.915 . 0 0 "[ . 1 . 2]" 1
1063 1 63 THR HG1 1 63 THR MG . . 2.800 2.279 1.961 2.800 0.000 19 0 "[ . 1 . 2]" 1
1064 1 63 THR MG 1 64 LEU H . . 4.190 3.917 3.523 4.185 . 0 0 "[ . 1 . 2]" 1
1065 1 63 THR MG 1 74 TYR QE . . 4.510 4.044 3.348 4.505 . 0 0 "[ . 1 . 2]" 1
1066 1 64 LEU H 1 64 LEU QB . . 3.140 2.269 2.186 2.462 . 0 0 "[ . 1 . 2]" 1
1067 1 64 LEU H 1 64 LEU MD1 . . 4.170 3.604 3.224 3.943 . 0 0 "[ . 1 . 2]" 1
1068 1 64 LEU H 1 64 LEU MD2 . . 4.330 3.740 3.259 4.015 . 0 0 "[ . 1 . 2]" 1
1069 1 64 LEU H 1 64 LEU HG . . 3.530 2.638 2.039 3.107 . 0 0 "[ . 1 . 2]" 1
1070 1 64 LEU H 1 65 MET H . . 3.380 2.535 2.171 2.969 . 0 0 "[ . 1 . 2]" 1
1071 1 64 LEU HA 1 64 LEU MD1 . . 4.140 3.850 3.790 3.912 . 0 0 "[ . 1 . 2]" 1
1072 1 64 LEU HA 1 64 LEU MD2 . . 3.220 2.127 1.947 2.360 . 0 0 "[ . 1 . 2]" 1
1073 1 64 LEU HA 1 64 LEU HG . . 3.840 2.842 2.685 3.036 . 0 0 "[ . 1 . 2]" 1
1074 1 64 LEU HA 1 67 TYR H . . 4.010 3.207 2.781 3.914 . 0 0 "[ . 1 . 2]" 1
1075 1 64 LEU HA 1 67 TYR HB2 . . 3.760 3.086 2.405 3.736 . 0 0 "[ . 1 . 2]" 1
1076 1 64 LEU HA 1 67 TYR QB . . 3.190 2.122 1.938 2.608 . 0 0 "[ . 1 . 2]" 1
1077 1 64 LEU HA 1 67 TYR HB3 . . 3.760 2.182 1.998 2.819 . 0 0 "[ . 1 . 2]" 1
1078 1 64 LEU HA 1 68 LEU H . . 4.090 3.447 2.974 4.057 . 0 0 "[ . 1 . 2]" 1
1079 1 64 LEU QB 1 65 MET H . . 3.560 2.771 2.361 3.174 . 0 0 "[ . 1 . 2]" 1
1080 1 64 LEU QB 1 67 TYR QB . . 4.900 3.867 3.550 4.257 . 0 0 "[ . 1 . 2]" 1
1081 1 64 LEU HB2 1 65 MET H . . 4.210 2.873 2.430 3.316 . 0 0 "[ . 1 . 2]" 1
1082 1 64 LEU HB3 1 65 MET H . . 4.210 3.657 3.205 4.133 . 0 0 "[ . 1 . 2]" 1
1083 1 64 LEU MD1 1 68 LEU QD . . 4.140 3.664 2.871 4.130 . 0 0 "[ . 1 . 2]" 1
1084 1 64 LEU MD1 1 95 ILE HG12 . . 4.890 2.825 2.373 3.493 . 0 0 "[ . 1 . 2]" 1
1085 1 64 LEU MD1 1 95 ILE HG13 . . 4.890 4.299 3.953 4.890 . 0 0 "[ . 1 . 2]" 1
1086 1 64 LEU MD1 1 95 ILE MG . . 3.710 2.549 1.853 3.275 . 0 0 "[ . 1 . 2]" 1
1087 1 64 LEU MD2 1 65 MET H . . 5.500 4.798 4.655 4.984 . 0 0 "[ . 1 . 2]" 1
1088 1 64 LEU MD2 1 67 TYR HB2 . . 4.660 3.854 3.324 4.645 . 0 0 "[ . 1 . 2]" 1
1089 1 64 LEU MD2 1 67 TYR QB . . 3.900 2.946 2.493 3.608 . 0 0 "[ . 1 . 2]" 1
1090 1 64 LEU MD2 1 67 TYR HB3 . . 4.660 3.066 2.569 3.760 . 0 0 "[ . 1 . 2]" 1
1091 1 64 LEU MD2 1 68 LEU H . . 4.870 4.206 3.434 4.863 . 0 0 "[ . 1 . 2]" 1
1092 1 64 LEU MD2 1 68 LEU QD . . 4.320 2.880 1.808 4.023 . 0 0 "[ . 1 . 2]" 1
1093 1 65 MET H 1 65 MET HB2 . . 3.580 2.221 2.073 2.725 . 0 0 "[ . 1 . 2]" 1
1094 1 65 MET H 1 65 MET HB3 . . 3.580 3.007 2.207 3.472 . 0 0 "[ . 1 . 2]" 1
1095 1 65 MET H 1 65 MET ME . . 4.400 4.246 3.987 4.401 0.001 4 0 "[ . 1 . 2]" 1
1096 1 65 MET H 1 65 MET HG2 . . 4.810 3.761 2.646 4.588 . 0 0 "[ . 1 . 2]" 1
1097 1 65 MET H 1 65 MET QG . . 4.090 3.387 2.561 3.982 . 0 0 "[ . 1 . 2]" 1
1098 1 65 MET H 1 65 MET HG3 . . 4.810 3.969 3.417 4.381 . 0 0 "[ . 1 . 2]" 1
1099 1 65 MET H 1 66 GLU H . . 3.610 2.835 2.441 3.189 . 0 0 "[ . 1 . 2]" 1
1100 1 65 MET H 1 67 TYR H . . 5.330 4.220 3.662 4.740 . 0 0 "[ . 1 . 2]" 1
1101 1 65 MET H 1 68 LEU H . . 5.230 4.819 4.558 5.205 . 0 0 "[ . 1 . 2]" 1
1102 1 65 MET H 1 95 ILE MD . . 3.780 3.119 2.403 3.667 . 0 0 "[ . 1 . 2]" 1
1103 1 65 MET HA 1 65 MET ME . . 3.220 2.441 2.109 2.912 . 0 0 "[ . 1 . 2]" 1
1104 1 65 MET HA 1 65 MET QG . . 3.700 2.512 2.306 3.216 . 0 0 "[ . 1 . 2]" 1
1105 1 65 MET HA 1 68 LEU H . . 4.730 4.069 3.508 4.731 0.001 15 0 "[ . 1 . 2]" 1
1106 1 65 MET HA 1 68 LEU HB2 . . 4.250 3.346 2.525 4.142 . 0 0 "[ . 1 . 2]" 1
1107 1 65 MET HA 1 68 LEU QD . . 4.660 3.500 2.494 4.307 . 0 0 "[ . 1 . 2]" 1
1108 1 65 MET HA 1 91 ARG QD . . 3.860 3.254 2.220 3.746 . 0 0 "[ . 1 . 2]" 1
1109 1 65 MET HA 1 91 ARG QG . . 5.070 4.878 4.185 5.083 0.013 19 0 "[ . 1 . 2]" 1
1110 1 65 MET HA 1 95 ILE MD . . 3.160 2.596 1.918 3.148 . 0 0 "[ . 1 . 2]" 1
1111 1 65 MET HA 1 95 ILE QG . . 5.340 4.497 3.882 4.981 . 0 0 "[ . 1 . 2]" 1
1112 1 65 MET QB 1 65 MET ME . . 3.700 3.135 2.047 3.520 . 0 0 "[ . 1 . 2]" 1
1113 1 65 MET QB 1 66 GLU H . . 3.310 2.690 1.936 3.195 . 0 0 "[ . 1 . 2]" 1
1114 1 65 MET QB 1 95 ILE MD . . 4.710 3.467 2.316 4.126 . 0 0 "[ . 1 . 2]" 1
1115 1 65 MET HB2 1 95 ILE MD . . 5.450 3.671 2.354 4.472 . 0 0 "[ . 1 . 2]" 1
1116 1 65 MET HB3 1 95 ILE MD . . 5.450 4.414 3.435 4.840 . 0 0 "[ . 1 . 2]" 1
1117 1 65 MET ME 1 65 MET QG . . 3.560 2.103 1.949 2.332 . 0 0 "[ . 1 . 2]" 1
1118 1 65 MET ME 1 66 GLU H . . 5.500 5.306 5.025 5.500 . 0 0 "[ . 1 . 2]" 1
1119 1 65 MET ME 1 88 LYS HA . . 3.770 3.491 3.021 3.773 0.003 19 0 "[ . 1 . 2]" 1
1120 1 65 MET ME 1 91 ARG H . . 4.250 3.816 3.491 4.246 . 0 0 "[ . 1 . 2]" 1
1121 1 65 MET ME 1 91 ARG HD2 . . 5.070 3.048 2.087 4.337 . 0 0 "[ . 1 . 2]" 1
1122 1 65 MET ME 1 91 ARG QD . . 4.220 2.907 2.075 3.816 . 0 0 "[ . 1 . 2]" 1
1123 1 65 MET ME 1 91 ARG HD3 . . 5.070 4.095 2.947 5.068 . 0 0 "[ . 1 . 2]" 1
1124 1 65 MET ME 1 91 ARG HE . . 4.890 3.236 1.913 4.884 . 0 0 "[ . 1 . 2]" 1
1125 1 65 MET ME 1 92 ALA H . . 3.430 3.027 2.604 3.351 . 0 0 "[ . 1 . 2]" 1
1126 1 65 MET ME 1 92 ALA HA . . 4.180 2.714 2.062 3.038 . 0 0 "[ . 1 . 2]" 1
1127 1 65 MET ME 1 92 ALA MB . . 3.070 2.891 2.381 3.071 0.001 7 0 "[ . 1 . 2]" 1
1128 1 65 MET ME 1 93 ASP H . . 5.500 4.930 4.214 5.260 . 0 0 "[ . 1 . 2]" 1
1129 1 65 MET ME 1 95 ILE MD . . 3.300 2.023 1.754 2.516 . 0 0 "[ . 1 . 2]" 1
1130 1 65 MET QG 1 66 GLU H . . 4.850 4.095 3.542 4.571 . 0 0 "[ . 1 . 2]" 1
1131 1 65 MET QG 1 95 ILE MD . . 4.000 3.228 2.266 3.962 . 0 0 "[ . 1 . 2]" 1
1132 1 65 MET HG2 1 95 ILE MD . . 4.810 3.661 2.294 4.812 0.002 4 0 "[ . 1 . 2]" 1
1133 1 65 MET HG3 1 95 ILE MD . . 4.810 4.023 3.518 4.555 . 0 0 "[ . 1 . 2]" 1
1134 1 66 GLU H 1 66 GLU HB2 . . 3.460 2.757 2.084 3.108 . 0 0 "[ . 1 . 2]" 1
1135 1 66 GLU H 1 66 GLU QB . . 3.010 2.234 2.048 2.333 . 0 0 "[ . 1 . 2]" 1
1136 1 66 GLU H 1 66 GLU HB3 . . 3.460 2.452 2.303 3.014 . 0 0 "[ . 1 . 2]" 1
1137 1 66 GLU H 1 66 GLU HG2 . . 4.620 4.341 4.124 4.597 . 0 0 "[ . 1 . 2]" 1
1138 1 66 GLU H 1 66 GLU QG . . 3.940 3.905 3.835 3.967 0.027 18 0 "[ . 1 . 2]" 1
1139 1 66 GLU H 1 66 GLU HG3 . . 4.620 4.454 4.283 4.559 . 0 0 "[ . 1 . 2]" 1
1140 1 66 GLU H 1 67 TYR H . . 3.380 2.407 1.965 3.101 . 0 0 "[ . 1 . 2]" 1
1141 1 66 GLU HA 1 66 GLU HG2 . . 3.720 3.472 3.163 3.725 0.005 18 0 "[ . 1 . 2]" 1
1142 1 66 GLU HA 1 66 GLU QG . . 2.880 2.485 2.289 2.596 . 0 0 "[ . 1 . 2]" 1
1143 1 66 GLU HA 1 66 GLU HG3 . . 3.720 2.551 2.316 2.701 . 0 0 "[ . 1 . 2]" 1
1144 1 66 GLU QB 1 67 TYR H . . 3.630 2.656 2.221 3.080 . 0 0 "[ . 1 . 2]" 1
1145 1 66 GLU HB2 1 67 TYR H . . 4.370 3.963 3.337 4.274 . 0 0 "[ . 1 . 2]" 1
1146 1 66 GLU HB3 1 67 TYR H . . 4.370 2.701 2.255 3.159 . 0 0 "[ . 1 . 2]" 1
1147 1 66 GLU QG 1 67 TYR H . . 4.360 3.548 2.798 3.930 . 0 0 "[ . 1 . 2]" 1
1148 1 66 GLU QG 1 67 TYR HA . . 4.460 3.581 3.012 4.418 . 0 0 "[ . 1 . 2]" 1
1149 1 66 GLU QG 1 74 TYR QD . . 4.110 2.837 1.990 3.803 . 0 0 "[ . 1 . 2]" 1
1150 1 66 GLU HG2 1 67 TYR H . . 5.210 3.808 2.853 4.522 . 0 0 "[ . 1 . 2]" 1
1151 1 66 GLU HG2 1 74 TYR QD . . 4.960 2.916 1.999 4.119 . 0 0 "[ . 1 . 2]" 1
1152 1 66 GLU HG3 1 67 TYR H . . 5.210 4.395 3.806 4.766 . 0 0 "[ . 1 . 2]" 1
1153 1 66 GLU HG3 1 74 TYR QD . . 4.960 4.216 3.205 4.915 . 0 0 "[ . 1 . 2]" 1
1154 1 67 TYR H 1 67 TYR HB2 . . 3.470 2.315 2.008 2.678 . 0 0 "[ . 1 . 2]" 1
1155 1 67 TYR H 1 67 TYR QB . . 3.030 2.059 1.959 2.105 . 0 0 "[ . 1 . 2]" 1
1156 1 67 TYR H 1 67 TYR HB3 . . 3.470 2.372 2.074 2.725 . 0 0 "[ . 1 . 2]" 1
1157 1 67 TYR H 1 68 LEU H . . 3.360 2.820 2.360 3.184 . 0 0 "[ . 1 . 2]" 1
1158 1 67 TYR H 1 74 TYR QD . . 5.500 3.337 2.624 4.250 . 0 0 "[ . 1 . 2]" 1
1159 1 67 TYR HA 1 69 GLU H . . 4.810 4.294 3.981 4.733 . 0 0 "[ . 1 . 2]" 1
1160 1 67 TYR HA 1 70 ASN H . . 4.380 3.391 3.160 3.729 . 0 0 "[ . 1 . 2]" 1
1161 1 67 TYR HA 1 71 PRO HA . . 3.910 3.018 2.601 3.910 . 0 0 "[ . 1 . 2]" 1
1162 1 67 TYR HA 1 74 TYR QB . . 3.700 2.656 2.218 3.069 . 0 0 "[ . 1 . 2]" 1
1163 1 67 TYR HA 1 74 TYR QD . . 4.160 2.183 2.000 2.396 . 0 0 "[ . 1 . 2]" 1
1164 1 67 TYR QB 1 68 LEU H . . 3.830 2.322 1.966 3.135 . 0 0 "[ . 1 . 2]" 1
1165 1 67 TYR QB 1 71 PRO HA . . 5.060 4.395 3.993 4.734 . 0 0 "[ . 1 . 2]" 1
1166 1 67 TYR QB 1 74 TYR QE . . 4.390 2.950 2.716 3.247 . 0 0 "[ . 1 . 2]" 1
1167 1 67 TYR HB2 1 68 LEU H . . 4.410 3.728 3.371 4.250 . 0 0 "[ . 1 . 2]" 1
1168 1 67 TYR HB2 1 74 TYR QD . . 4.370 2.914 2.469 3.187 . 0 0 "[ . 1 . 2]" 1
1169 1 67 TYR HB3 1 68 LEU H . . 4.410 2.349 1.979 3.228 . 0 0 "[ . 1 . 2]" 1
1170 1 67 TYR HB3 1 74 TYR QD . . 4.370 4.238 3.754 4.372 0.002 16 0 "[ . 1 . 2]" 1
1171 1 68 LEU H 1 68 LEU HB2 . . 3.460 2.223 2.060 2.501 . 0 0 "[ . 1 . 2]" 1
1172 1 68 LEU H 1 68 LEU HB3 . . 4.000 3.455 2.945 3.544 . 0 0 "[ . 1 . 2]" 1
1173 1 68 LEU H 1 68 LEU MD1 . . 4.430 3.437 2.036 4.154 . 0 0 "[ . 1 . 2]" 1
1174 1 68 LEU H 1 68 LEU MD2 . . 4.430 3.544 1.952 4.183 . 0 0 "[ . 1 . 2]" 1
1175 1 68 LEU H 1 68 LEU HG . . 3.960 3.027 2.381 3.959 . 0 0 "[ . 1 . 2]" 1
1176 1 68 LEU H 1 69 GLU H . . 3.680 2.670 2.311 3.008 . 0 0 "[ . 1 . 2]" 1
1177 1 68 LEU H 1 70 ASN H . . 4.960 4.151 3.804 4.424 . 0 0 "[ . 1 . 2]" 1
1178 1 68 LEU HA 1 68 LEU MD1 . . 4.560 3.456 2.059 3.851 . 0 0 "[ . 1 . 2]" 1
1179 1 68 LEU HA 1 68 LEU QD . . 3.110 2.176 1.887 2.988 . 0 0 "[ . 1 . 2]" 1
1180 1 68 LEU HA 1 68 LEU MD2 . . 4.560 2.405 1.894 3.803 . 0 0 "[ . 1 . 2]" 1
1181 1 68 LEU HA 1 68 LEU HG . . 4.060 2.845 2.264 3.645 . 0 0 "[ . 1 . 2]" 1
1182 1 68 LEU HA 1 70 ASN H . . 4.380 4.156 3.691 4.381 0.001 16 0 "[ . 1 . 2]" 1
1183 1 68 LEU HA 1 71 PRO HA . . 5.500 5.227 4.688 5.486 . 0 0 "[ . 1 . 2]" 1
1184 1 68 LEU HA 1 71 PRO HD2 . . 5.140 4.857 4.533 5.133 . 0 0 "[ . 1 . 2]" 1
1185 1 68 LEU HA 1 71 PRO HD3 . . 4.430 3.263 3.010 3.523 . 0 0 "[ . 1 . 2]" 1
1186 1 68 LEU HA 1 71 PRO HG3 . . 4.010 3.010 2.424 3.400 . 0 0 "[ . 1 . 2]" 1
1187 1 68 LEU HB2 1 69 GLU H . . 4.830 2.966 2.633 3.530 . 0 0 "[ . 1 . 2]" 1
1188 1 68 LEU HB2 1 91 ARG HD2 . . 4.350 2.646 2.014 4.072 . 0 0 "[ . 1 . 2]" 1
1189 1 68 LEU HB2 1 91 ARG HD3 . . 4.350 3.065 2.264 4.275 . 0 0 "[ . 1 . 2]" 1
1190 1 68 LEU HB3 1 91 ARG HA . . 4.970 4.621 3.975 5.020 0.050 19 0 "[ . 1 . 2]" 1
1191 1 68 LEU HB3 1 91 ARG HD2 . . 4.790 2.803 2.040 4.610 . 0 0 "[ . 1 . 2]" 1
1192 1 68 LEU HB3 1 91 ARG HD3 . . 4.790 2.572 2.059 4.370 . 0 0 "[ . 1 . 2]" 1
1193 1 68 LEU QD 1 91 ARG HA . . 4.540 3.195 2.318 4.551 0.011 19 0 "[ . 1 . 2]" 1
1194 1 68 LEU QD 1 94 LEU QD . . 3.460 2.060 1.724 2.650 . 0 0 "[ . 1 . 2]" 1
1195 1 68 LEU QD 1 95 ILE MD . . 3.490 2.380 1.669 3.475 . 0 0 "[ . 1 . 2]" 1
1196 1 68 LEU QD 1 95 ILE QG . . 3.870 2.285 1.813 3.174 . 0 0 "[ . 1 . 2]" 1
1197 1 68 LEU QD 1 95 ILE MG . . 4.510 4.103 3.615 4.523 0.013 15 0 "[ . 1 . 2]" 1
1198 1 68 LEU QD 1 98 LEU QD . . 4.120 3.153 2.484 3.800 . 0 0 "[ . 1 . 2]" 1
1199 1 68 LEU MD1 1 85 ILE MD . . 3.910 3.086 1.913 3.914 0.004 15 0 "[ . 1 . 2]" 1
1200 1 68 LEU MD2 1 85 ILE MD . . 3.910 2.730 1.889 3.909 . 0 0 "[ . 1 . 2]" 1
1201 1 68 LEU HG 1 69 GLU H . . 5.400 4.867 4.448 5.336 . 0 0 "[ . 1 . 2]" 1
1202 1 69 GLU H 1 69 GLU HB2 . . 3.620 2.559 2.374 2.786 . 0 0 "[ . 1 . 2]" 1
1203 1 69 GLU H 1 69 GLU HB3 . . 3.620 2.415 2.231 2.591 . 0 0 "[ . 1 . 2]" 1
1204 1 69 GLU H 1 69 GLU QG . . 4.050 3.935 3.840 4.029 . 0 0 "[ . 1 . 2]" 1
1205 1 69 GLU H 1 70 ASN H . . 2.940 2.701 2.417 2.905 . 0 0 "[ . 1 . 2]" 1
1206 1 69 GLU H 1 91 ARG HD2 . . 4.630 3.731 2.847 4.631 0.001 16 0 "[ . 1 . 2]" 1
1207 1 69 GLU H 1 91 ARG QD . . 4.030 3.145 2.478 3.528 . 0 0 "[ . 1 . 2]" 1
1208 1 69 GLU H 1 91 ARG HD3 . . 4.630 3.486 2.561 3.984 . 0 0 "[ . 1 . 2]" 1
1209 1 69 GLU HA 1 69 GLU QG . . 3.120 2.634 2.357 3.114 . 0 0 "[ . 1 . 2]" 1
1210 1 69 GLU HA 1 91 ARG QD . . 3.380 2.992 2.198 3.378 . 0 0 "[ . 1 . 2]" 1
1211 1 69 GLU HA 1 91 ARG HE . . 4.750 4.443 3.150 4.761 0.011 15 0 "[ . 1 . 2]" 1
1212 1 69 GLU QB 1 70 ASN H . . 3.460 2.769 2.546 2.940 . 0 0 "[ . 1 . 2]" 1
1213 1 69 GLU HB2 1 70 ASN H . . 4.290 4.062 3.893 4.200 . 0 0 "[ . 1 . 2]" 1
1214 1 69 GLU HB3 1 70 ASN H . . 4.290 2.820 2.581 3.008 . 0 0 "[ . 1 . 2]" 1
1215 1 69 GLU QG 1 70 ASN H . . 3.950 3.623 3.205 3.860 . 0 0 "[ . 1 . 2]" 1
1216 1 69 GLU QG 1 70 ASN HB2 . . 4.690 3.172 2.766 4.372 . 0 0 "[ . 1 . 2]" 1
1217 1 69 GLU QG 1 70 ASN QB . . 4.020 3.045 2.702 4.003 . 0 0 "[ . 1 . 2]" 1
1218 1 69 GLU QG 1 70 ASN HB3 . . 4.690 4.336 3.110 4.687 . 0 0 "[ . 1 . 2]" 1
1219 1 69 GLU QG 1 70 ASN QD . . 4.510 3.163 1.851 4.426 . 0 0 "[ . 1 . 2]" 1
1220 1 70 ASN H 1 70 ASN HB2 . . 4.110 3.074 2.892 3.762 . 0 0 "[ . 1 . 2]" 1
1221 1 70 ASN H 1 70 ASN QB . . 3.490 2.900 2.814 3.323 . 0 0 "[ . 1 . 2]" 1
1222 1 70 ASN H 1 70 ASN HB3 . . 4.110 3.720 3.112 4.000 . 0 0 "[ . 1 . 2]" 1
1223 1 70 ASN H 1 71 PRO HA . . 4.470 4.089 4.047 4.138 . 0 0 "[ . 1 . 2]" 1
1224 1 70 ASN H 1 71 PRO HD2 . . 4.280 4.071 3.888 4.217 . 0 0 "[ . 1 . 2]" 1
1225 1 70 ASN H 1 71 PRO HD3 . . 3.570 2.867 2.622 3.064 . 0 0 "[ . 1 . 2]" 1
1226 1 70 ASN H 1 84 GLY QA . . 5.020 4.576 3.815 5.020 . 0 0 "[ . 1 . 2]" 1
1227 1 70 ASN HA 1 71 PRO HD2 . . 3.800 2.277 2.243 2.345 . 0 0 "[ . 1 . 2]" 1
1228 1 70 ASN HA 1 71 PRO HD3 . . 3.480 2.407 2.282 2.567 . 0 0 "[ . 1 . 2]" 1
1229 1 70 ASN HA 1 84 GLY QA . . 4.170 3.313 2.412 3.666 . 0 0 "[ . 1 . 2]" 1
1230 1 70 ASN QB 1 71 PRO HD2 . . 4.480 4.159 3.990 4.366 . 0 0 "[ . 1 . 2]" 1
1231 1 70 ASN QB 1 71 PRO HD3 . . 4.730 4.250 4.229 4.265 . 0 0 "[ . 1 . 2]" 1
1232 1 70 ASN QB 1 73 LYS H . . 4.550 2.956 2.500 3.592 . 0 0 "[ . 1 . 2]" 1
1233 1 70 ASN QB 1 73 LYS QB . . 3.650 2.708 2.051 3.426 . 0 0 "[ . 1 . 2]" 1
1234 1 70 ASN QB 1 73 LYS QD . . 4.010 2.455 1.907 3.969 . 0 0 "[ . 1 . 2]" 1
1235 1 70 ASN HB2 1 73 LYS QB . . 4.390 3.693 2.440 4.335 . 0 0 "[ . 1 . 2]" 1
1236 1 70 ASN HB3 1 73 LYS QB . . 4.390 2.857 2.103 3.749 . 0 0 "[ . 1 . 2]" 1
1237 1 70 ASN QD 1 73 LYS QD . . 5.180 3.398 2.396 4.499 . 0 0 "[ . 1 . 2]" 1
1238 1 71 PRO HA 1 73 LYS H . . 4.400 3.753 3.259 4.399 . 0 0 "[ . 1 . 2]" 1
1239 1 71 PRO HA 1 74 TYR H . . 4.230 3.065 2.560 3.537 . 0 0 "[ . 1 . 2]" 1
1240 1 71 PRO HA 1 74 TYR HB2 . . 4.490 2.601 2.018 3.511 . 0 0 "[ . 1 . 2]" 1
1241 1 71 PRO HA 1 74 TYR QB . . 3.810 2.345 1.914 2.894 . 0 0 "[ . 1 . 2]" 1
1242 1 71 PRO HA 1 74 TYR HB3 . . 4.490 2.699 2.373 3.081 . 0 0 "[ . 1 . 2]" 1
1243 1 71 PRO QB 1 72 LYS H . . 3.810 3.650 3.131 3.787 . 0 0 "[ . 1 . 2]" 1
1244 1 71 PRO HD2 1 72 LYS H . . 4.060 2.562 2.254 2.711 . 0 0 "[ . 1 . 2]" 1
1245 1 71 PRO HD2 1 82 PHE QE . . 5.150 4.844 4.199 5.149 . 0 0 "[ . 1 . 2]" 1
1246 1 71 PRO HD2 1 84 GLY QA . . 4.610 3.211 1.980 3.871 . 0 0 "[ . 1 . 2]" 1
1247 1 71 PRO HD3 1 72 LYS H . . 4.530 3.767 3.656 3.829 . 0 0 "[ . 1 . 2]" 1
1248 1 71 PRO HD3 1 84 GLY QA . . 3.940 2.949 2.131 3.646 . 0 0 "[ . 1 . 2]" 1
1249 1 71 PRO HG2 1 82 PHE QD . . 4.260 2.697 2.095 3.147 . 0 0 "[ . 1 . 2]" 1
1250 1 71 PRO HG2 1 82 PHE QE . . 5.060 4.641 3.880 5.059 . 0 0 "[ . 1 . 2]" 1
1251 1 71 PRO HG3 1 72 LYS H . . 4.980 4.585 4.034 4.757 . 0 0 "[ . 1 . 2]" 1
1252 1 71 PRO HG3 1 82 PHE QD . . 4.420 2.520 2.009 3.617 . 0 0 "[ . 1 . 2]" 1
1253 1 72 LYS H 1 72 LYS HB2 . . 3.750 2.610 2.109 3.623 . 0 0 "[ . 1 . 2]" 1
1254 1 72 LYS H 1 72 LYS HB3 . . 3.750 2.767 2.320 3.560 . 0 0 "[ . 1 . 2]" 1
1255 1 72 LYS H 1 72 LYS QD . . 4.640 4.378 3.596 4.641 0.001 11 0 "[ . 1 . 2]" 1
1256 1 72 LYS H 1 72 LYS QG . . 4.140 3.405 2.043 4.059 . 0 0 "[ . 1 . 2]" 1
1257 1 72 LYS H 1 73 LYS H . . 3.400 2.436 2.175 2.907 . 0 0 "[ . 1 . 2]" 1
1258 1 72 LYS HA 1 72 LYS QD . . 4.240 3.473 1.995 4.287 0.047 16 0 "[ . 1 . 2]" 1
1259 1 72 LYS HA 1 72 LYS QE . . 3.920 3.269 1.824 3.922 0.002 16 0 "[ . 1 . 2]" 1
1260 1 72 LYS HA 1 72 LYS QG . . 3.730 2.549 2.133 3.424 . 0 0 "[ . 1 . 2]" 1
1261 1 72 LYS HA 1 74 TYR H . . 5.090 4.603 3.707 5.089 . 0 0 "[ . 1 . 2]" 1
1262 1 72 LYS HA 1 75 ILE H . . 4.440 3.871 3.556 4.327 . 0 0 "[ . 1 . 2]" 1
1263 1 72 LYS QB 1 72 LYS QE . . 2.790 2.366 1.890 2.771 . 0 0 "[ . 1 . 2]" 1
1264 1 72 LYS QB 1 73 LYS H . . 4.040 3.098 2.458 3.810 . 0 0 "[ . 1 . 2]" 1
1265 1 72 LYS HB2 1 73 LYS H . . 4.740 3.896 2.618 4.395 . 0 0 "[ . 1 . 2]" 1
1266 1 72 LYS HB3 1 73 LYS H . . 4.740 3.396 2.488 4.238 . 0 0 "[ . 1 . 2]" 1
1267 1 73 LYS H 1 73 LYS QB . . 3.140 2.372 2.091 2.922 . 0 0 "[ . 1 . 2]" 1
1268 1 73 LYS H 1 73 LYS QE . . 5.250 4.733 3.944 5.212 . 0 0 "[ . 1 . 2]" 1
1269 1 73 LYS H 1 73 LYS HG2 . . 4.790 3.250 2.004 4.444 . 0 0 "[ . 1 . 2]" 1
1270 1 73 LYS H 1 73 LYS HG3 . . 4.790 3.708 2.306 4.666 . 0 0 "[ . 1 . 2]" 1
1271 1 73 LYS H 1 74 TYR H . . 3.270 2.301 1.979 2.771 . 0 0 "[ . 1 . 2]" 1
1272 1 73 LYS H 1 74 TYR QB . . 4.430 3.786 3.420 4.210 . 0 0 "[ . 1 . 2]" 1
1273 1 73 LYS H 1 75 ILE H . . 4.560 3.914 3.425 4.489 . 0 0 "[ . 1 . 2]" 1
1274 1 73 LYS HA 1 73 LYS QD . . 4.670 3.946 2.099 4.570 . 0 0 "[ . 1 . 2]" 1
1275 1 73 LYS HA 1 73 LYS HG2 . . 4.160 3.491 2.645 4.227 0.067 16 0 "[ . 1 . 2]" 1
1276 1 73 LYS HA 1 73 LYS HG3 . . 4.160 3.174 2.172 3.768 . 0 0 "[ . 1 . 2]" 1
1277 1 73 LYS QB 1 73 LYS QE . . 4.050 3.116 1.984 3.858 . 0 0 "[ . 1 . 2]" 1
1278 1 73 LYS QB 1 74 TYR H . . 3.600 3.173 2.411 3.607 0.007 15 0 "[ . 1 . 2]" 1
1279 1 73 LYS QD 1 73 LYS QG . . 2.350 2.085 2.028 2.132 . 0 0 "[ . 1 . 2]" 1
1280 1 73 LYS QD 1 74 TYR H . . 4.440 4.086 3.681 4.433 . 0 0 "[ . 1 . 2]" 1
1281 1 73 LYS HD2 1 74 TYR H . . 5.240 4.639 3.812 5.219 . 0 0 "[ . 1 . 2]" 1
1282 1 73 LYS HD3 1 74 TYR H . . 5.240 4.615 4.199 5.208 . 0 0 "[ . 1 . 2]" 1
1283 1 73 LYS QE 1 73 LYS HG2 . . 3.610 2.888 2.234 3.440 . 0 0 "[ . 1 . 2]" 1
1284 1 73 LYS QE 1 73 LYS QG . . 3.120 2.289 2.111 2.554 . 0 0 "[ . 1 . 2]" 1
1285 1 73 LYS QE 1 73 LYS HG3 . . 3.610 2.590 2.182 3.486 . 0 0 "[ . 1 . 2]" 1
1286 1 73 LYS QG 1 74 TYR H . . 5.090 2.952 1.920 4.904 . 0 0 "[ . 1 . 2]" 1
1287 1 74 TYR H 1 74 TYR HB2 . . 3.530 2.035 1.962 2.391 . 0 0 "[ . 1 . 2]" 1
1288 1 74 TYR H 1 74 TYR QB . . 3.060 1.975 1.923 2.239 . 0 0 "[ . 1 . 2]" 1
1289 1 74 TYR H 1 74 TYR HB3 . . 3.530 2.707 2.574 2.818 . 0 0 "[ . 1 . 2]" 1
1290 1 74 TYR H 1 74 TYR QD . . 4.240 3.939 3.820 4.179 . 0 0 "[ . 1 . 2]" 1
1291 1 74 TYR H 1 75 ILE H . . 3.410 2.771 2.359 2.972 . 0 0 "[ . 1 . 2]" 1
1292 1 74 TYR HA 1 74 TYR QD . . 4.390 3.057 2.821 3.151 . 0 0 "[ . 1 . 2]" 1
1293 1 74 TYR QB 1 75 ILE H . . 3.440 2.419 1.935 2.777 . 0 0 "[ . 1 . 2]" 1
1294 1 74 TYR QB 1 75 ILE QG . . 4.340 2.205 2.056 2.353 . 0 0 "[ . 1 . 2]" 1
1295 1 74 TYR HB2 1 75 ILE H . . 4.010 3.535 3.201 3.778 . 0 0 "[ . 1 . 2]" 1
1296 1 74 TYR HB3 1 75 ILE H . . 4.010 2.467 1.951 2.858 . 0 0 "[ . 1 . 2]" 1
1297 1 74 TYR QD 1 75 ILE H . . 4.650 3.915 3.605 4.189 . 0 0 "[ . 1 . 2]" 1
1298 1 74 TYR QD 1 75 ILE MD . . 3.450 2.892 2.014 3.259 . 0 0 "[ . 1 . 2]" 1
1299 1 74 TYR QD 1 75 ILE HG12 . . 3.720 2.132 2.000 2.513 . 0 0 "[ . 1 . 2]" 1
1300 1 74 TYR QD 1 75 ILE QG . . 3.080 1.925 1.781 2.380 . 0 0 "[ . 1 . 2]" 1
1301 1 74 TYR QD 1 75 ILE HG13 . . 3.720 2.289 1.999 3.648 . 0 0 "[ . 1 . 2]" 1
1302 1 74 TYR QE 1 75 ILE MD . . 3.940 3.638 3.002 3.939 . 0 0 "[ . 1 . 2]" 1
1303 1 75 ILE H 1 75 ILE HB . . 3.740 2.886 2.786 3.013 . 0 0 "[ . 1 . 2]" 1
1304 1 75 ILE H 1 75 ILE MD . . 4.680 4.166 3.828 4.418 . 0 0 "[ . 1 . 2]" 1
1305 1 75 ILE H 1 75 ILE HG12 . . 4.440 3.623 2.732 3.946 . 0 0 "[ . 1 . 2]" 1
1306 1 75 ILE H 1 75 ILE QG . . 3.760 2.715 2.437 2.947 . 0 0 "[ . 1 . 2]" 1
1307 1 75 ILE H 1 75 ILE HG13 . . 4.440 2.918 2.481 4.041 . 0 0 "[ . 1 . 2]" 1
1308 1 75 ILE H 1 75 ILE MG . . 4.450 3.942 3.906 3.990 . 0 0 "[ . 1 . 2]" 1
1309 1 75 ILE H 1 76 PRO HD2 . . 4.620 4.447 4.357 4.511 . 0 0 "[ . 1 . 2]" 1
1310 1 75 ILE H 1 76 PRO QD . . 3.870 3.279 3.156 3.361 . 0 0 "[ . 1 . 2]" 1
1311 1 75 ILE H 1 76 PRO HD3 . . 4.620 3.376 3.239 3.468 . 0 0 "[ . 1 . 2]" 1
1312 1 75 ILE H 1 76 PRO QG . . 5.050 4.964 4.850 5.050 0.000 4 0 "[ . 1 . 2]" 1
1313 1 75 ILE H 1 78 THR MG . . 4.320 3.983 3.636 4.313 . 0 0 "[ . 1 . 2]" 1
1314 1 75 ILE HA 1 75 ILE MD . . 3.900 3.660 2.157 3.898 . 0 0 "[ . 1 . 2]" 1
1315 1 75 ILE HA 1 75 ILE MG . . 3.230 2.315 2.169 2.410 . 0 0 "[ . 1 . 2]" 1
1316 1 75 ILE HA 1 76 PRO HD2 . . 3.620 2.195 2.186 2.224 . 0 0 "[ . 1 . 2]" 1
1317 1 75 ILE HA 1 76 PRO HD3 . . 3.620 2.307 2.274 2.402 . 0 0 "[ . 1 . 2]" 1
1318 1 75 ILE HA 1 78 THR HB . . 4.710 4.560 4.272 4.710 . 0 0 "[ . 1 . 2]" 1
1319 1 75 ILE HB 1 75 ILE MD . . 3.500 2.444 2.257 3.200 . 0 0 "[ . 1 . 2]" 1
1320 1 75 ILE HB 1 78 THR H . . 4.730 4.194 3.506 4.710 . 0 0 "[ . 1 . 2]" 1
1321 1 75 ILE HB 1 78 THR HB . . 4.240 2.469 2.120 2.707 . 0 0 "[ . 1 . 2]" 1
1322 1 75 ILE MD 1 75 ILE MG . . 3.030 1.987 1.847 2.115 . 0 0 "[ . 1 . 2]" 1
1323 1 75 ILE MD 1 78 THR HB . . 4.510 3.690 3.069 4.418 . 0 0 "[ . 1 . 2]" 1
1324 1 75 ILE QG 1 75 ILE MG . . 3.240 2.403 2.296 2.529 . 0 0 "[ . 1 . 2]" 1
1325 1 75 ILE MG 1 76 PRO HD2 . . 4.770 3.340 3.093 3.572 . 0 0 "[ . 1 . 2]" 1
1326 1 75 ILE MG 1 76 PRO QD . . 4.170 3.198 2.988 3.392 . 0 0 "[ . 1 . 2]" 1
1327 1 75 ILE MG 1 76 PRO HD3 . . 4.770 4.087 3.952 4.227 . 0 0 "[ . 1 . 2]" 1
1328 1 75 ILE MG 1 78 THR H . . 4.110 3.417 2.823 4.074 . 0 0 "[ . 1 . 2]" 1
1329 1 75 ILE MG 1 78 THR HA . . 4.210 3.496 3.108 3.895 . 0 0 "[ . 1 . 2]" 1
1330 1 75 ILE MG 1 78 THR HB . . 3.450 2.190 1.859 2.612 . 0 0 "[ . 1 . 2]" 1
1331 1 75 ILE MG 1 78 THR MG . . 4.600 3.434 3.159 3.917 . 0 0 "[ . 1 . 2]" 1
1332 1 76 PRO HA 1 77 GLY QA . . 4.400 3.853 3.830 3.915 . 0 0 "[ . 1 . 2]" 1
1333 1 76 PRO HA 1 78 THR H . . 4.190 3.450 3.174 4.000 . 0 0 "[ . 1 . 2]" 1
1334 1 77 GLY H 1 78 THR H . . 4.250 2.206 1.947 2.541 . 0 0 "[ . 1 . 2]" 1
1335 1 77 GLY H 1 78 THR MG . . 4.290 3.302 2.792 4.164 . 0 0 "[ . 1 . 2]" 1
1336 1 78 THR H 1 78 THR HB . . 3.370 2.492 2.243 2.854 . 0 0 "[ . 1 . 2]" 1
1337 1 78 THR H 1 78 THR MG . . 3.200 2.160 1.927 2.569 . 0 0 "[ . 1 . 2]" 1
1338 1 78 THR HA 1 78 THR MG . . 3.300 3.232 3.207 3.246 . 0 0 "[ . 1 . 2]" 1
1339 1 78 THR HA 1 79 LYS H . . 3.180 2.477 2.366 2.634 . 0 0 "[ . 1 . 2]" 1
1340 1 78 THR HA 1 79 LYS QG . . 4.660 3.287 3.113 3.583 . 0 0 "[ . 1 . 2]" 1
1341 1 78 THR HA 1 80 MET H . . 4.610 4.070 3.852 4.336 . 0 0 "[ . 1 . 2]" 1
1342 1 78 THR HB 1 79 LYS H . . 4.810 3.875 3.730 4.072 . 0 0 "[ . 1 . 2]" 1
1343 1 78 THR MG 1 79 LYS H . . 4.750 3.340 2.660 3.609 . 0 0 "[ . 1 . 2]" 1
1344 1 78 THR MG 1 80 MET H . . 3.780 2.285 1.938 2.629 . 0 0 "[ . 1 . 2]" 1
1345 1 78 THR MG 1 80 MET HA . . 4.370 4.153 3.873 4.371 0.001 17 0 "[ . 1 . 2]" 1
1346 1 79 LYS H 1 79 LYS QB . . 3.490 2.708 2.446 3.171 . 0 0 "[ . 1 . 2]" 1
1347 1 79 LYS H 1 79 LYS HD2 . . 4.850 4.632 4.288 4.850 0.000 6 0 "[ . 1 . 2]" 1
1348 1 79 LYS H 1 79 LYS HD3 . . 4.850 4.666 4.299 4.849 . 0 0 "[ . 1 . 2]" 1
1349 1 79 LYS H 1 79 LYS HG2 . . 4.450 2.711 2.034 2.974 . 0 0 "[ . 1 . 2]" 1
1350 1 79 LYS H 1 79 LYS QG . . 3.690 2.119 1.860 2.277 . 0 0 "[ . 1 . 2]" 1
1351 1 79 LYS H 1 79 LYS HG3 . . 4.450 2.233 1.951 2.379 . 0 0 "[ . 1 . 2]" 1
1352 1 79 LYS H 1 80 MET H . . 3.930 2.396 2.027 2.911 . 0 0 "[ . 1 . 2]" 1
1353 1 79 LYS H 1 80 MET HA . . 4.870 4.635 4.210 4.868 . 0 0 "[ . 1 . 2]" 1
1354 1 79 LYS QB 1 79 LYS QD . . 2.980 2.156 2.077 2.374 . 0 0 "[ . 1 . 2]" 1
1355 1 79 LYS QB 1 79 LYS QE . . 3.650 2.871 2.226 3.578 . 0 0 "[ . 1 . 2]" 1
1356 1 79 LYS HB2 1 79 LYS HD2 . . 4.070 2.943 2.288 3.288 . 0 0 "[ . 1 . 2]" 1
1357 1 79 LYS HB2 1 79 LYS HD3 . . 4.070 3.719 2.423 3.988 . 0 0 "[ . 1 . 2]" 1
1358 1 79 LYS HB3 1 79 LYS HD2 . . 4.070 2.434 2.137 3.640 . 0 0 "[ . 1 . 2]" 1
1359 1 79 LYS HB3 1 79 LYS HD3 . . 4.070 3.238 2.513 3.755 . 0 0 "[ . 1 . 2]" 1
1360 1 79 LYS QE 1 79 LYS QG . . 3.350 2.250 2.012 2.776 . 0 0 "[ . 1 . 2]" 1
1361 1 81 ILE H 1 81 ILE HB . . 3.880 2.388 2.050 2.820 . 0 0 "[ . 1 . 2]" 1
1362 1 81 ILE H 1 81 ILE MD . . 4.640 3.404 1.883 4.167 . 0 0 "[ . 1 . 2]" 1
1363 1 81 ILE H 1 81 ILE HG12 . . 4.420 3.253 2.002 4.435 0.015 12 0 "[ . 1 . 2]" 1
1364 1 81 ILE H 1 81 ILE HG13 . . 4.420 3.446 2.122 4.448 0.028 12 0 "[ . 1 . 2]" 1
1365 1 81 ILE H 1 81 ILE MG . . 4.140 3.660 2.780 3.924 . 0 0 "[ . 1 . 2]" 1
1366 1 81 ILE HA 1 81 ILE MD . . 3.740 2.763 1.937 3.738 . 0 0 "[ . 1 . 2]" 1
1367 1 81 ILE HA 1 81 ILE MG . . 3.200 2.481 2.184 3.140 . 0 0 "[ . 1 . 2]" 1
1368 1 81 ILE HA 1 82 PHE HA . . 4.930 4.436 4.284 4.924 . 0 0 "[ . 1 . 2]" 1
1369 1 81 ILE HB 1 81 ILE MD . . 3.740 2.704 2.034 3.216 . 0 0 "[ . 1 . 2]" 1
1370 1 81 ILE MG 1 82 PHE H . . 4.360 3.431 2.621 4.128 . 0 0 "[ . 1 . 2]" 1
1371 1 81 ILE MG 1 82 PHE HA . . 4.890 3.638 3.183 4.320 . 0 0 "[ . 1 . 2]" 1
1372 1 82 PHE HA 1 83 VAL HA . . 4.600 4.392 4.327 4.472 . 0 0 "[ . 1 . 2]" 1
1373 1 82 PHE HA 1 83 VAL MG1 . . 4.070 3.482 3.176 3.802 . 0 0 "[ . 1 . 2]" 1
1374 1 82 PHE HA 1 83 VAL MG2 . . 3.920 3.734 3.283 3.918 . 0 0 "[ . 1 . 2]" 1
1375 1 82 PHE QD 1 83 VAL MG2 . . 5.250 3.671 2.873 4.152 . 0 0 "[ . 1 . 2]" 1
1376 1 82 PHE QD 1 85 ILE QG . . 4.840 4.433 4.002 4.848 0.008 15 0 "[ . 1 . 2]" 1
1377 1 82 PHE QE 1 83 VAL MG2 . . 4.740 3.722 2.701 4.320 . 0 0 "[ . 1 . 2]" 1
1378 1 82 PHE QE 1 84 GLY QA . . 3.820 2.367 2.019 3.445 . 0 0 "[ . 1 . 2]" 1
1379 1 82 PHE QE 1 85 ILE H . . 4.620 3.375 2.550 4.363 . 0 0 "[ . 1 . 2]" 1
1380 1 82 PHE QE 1 85 ILE MD . . 4.100 3.110 1.943 3.817 . 0 0 "[ . 1 . 2]" 1
1381 1 82 PHE QE 1 85 ILE HG12 . . 4.720 3.546 3.054 4.094 . 0 0 "[ . 1 . 2]" 1
1382 1 82 PHE QE 1 85 ILE QG . . 3.910 2.365 1.980 3.105 . 0 0 "[ . 1 . 2]" 1
1383 1 82 PHE QE 1 85 ILE HG13 . . 4.720 2.414 2.006 3.217 . 0 0 "[ . 1 . 2]" 1
1384 1 82 PHE HZ 1 83 VAL MG2 . . 5.320 4.469 3.995 5.223 . 0 0 "[ . 1 . 2]" 1
1385 1 82 PHE HZ 1 85 ILE MD . . 3.960 2.631 1.994 3.379 . 0 0 "[ . 1 . 2]" 1
1386 1 82 PHE HZ 1 85 ILE HG12 . . 4.060 2.482 2.003 2.960 . 0 0 "[ . 1 . 2]" 1
1387 1 82 PHE HZ 1 85 ILE QG . . 3.540 2.065 1.829 2.525 . 0 0 "[ . 1 . 2]" 1
1388 1 82 PHE HZ 1 85 ILE HG13 . . 4.060 2.277 2.004 2.846 . 0 0 "[ . 1 . 2]" 1
1389 1 82 PHE HZ 1 85 ILE MG . . 4.670 4.367 4.037 4.669 . 0 0 "[ . 1 . 2]" 1
1390 1 83 VAL H 1 83 VAL MG2 . . 4.650 1.986 1.886 2.158 . 0 0 "[ . 1 . 2]" 1
1391 1 83 VAL HA 1 83 VAL MG1 . . 3.250 2.311 2.189 2.453 . 0 0 "[ . 1 . 2]" 1
1392 1 83 VAL HA 1 83 VAL MG2 . . 3.300 3.214 3.186 3.220 . 0 0 "[ . 1 . 2]" 1
1393 1 83 VAL MG1 1 84 GLY H . . 4.140 3.949 3.777 4.141 0.001 19 0 "[ . 1 . 2]" 1
1394 1 83 VAL MG2 1 84 GLY H . . 4.000 2.310 1.791 3.967 . 0 0 "[ . 1 . 2]" 1
1395 1 84 GLY QA 1 85 ILE H . . 3.110 2.294 2.171 2.334 . 0 0 "[ . 1 . 2]" 1
1396 1 84 GLY HA2 1 85 ILE H . . 3.630 2.462 2.206 2.641 . 0 0 "[ . 1 . 2]" 1
1397 1 84 GLY HA3 1 85 ILE H . . 3.630 2.808 2.598 3.243 . 0 0 "[ . 1 . 2]" 1
1398 1 85 ILE H 1 85 ILE HB . . 3.600 2.580 2.348 2.798 . 0 0 "[ . 1 . 2]" 1
1399 1 85 ILE H 1 85 ILE MD . . 4.670 3.636 2.000 4.255 . 0 0 "[ . 1 . 2]" 1
1400 1 85 ILE H 1 85 ILE QG . . 3.980 2.522 2.132 2.875 . 0 0 "[ . 1 . 2]" 1
1401 1 85 ILE H 1 85 ILE MG . . 4.410 3.809 3.707 3.914 . 0 0 "[ . 1 . 2]" 1
1402 1 85 ILE HA 1 85 ILE MD . . 4.430 3.836 3.523 3.918 . 0 0 "[ . 1 . 2]" 1
1403 1 85 ILE HA 1 85 ILE HG12 . . 3.800 2.706 2.359 3.569 . 0 0 "[ . 1 . 2]" 1
1404 1 85 ILE HA 1 85 ILE QG . . 3.320 2.475 2.303 2.652 . 0 0 "[ . 1 . 2]" 1
1405 1 85 ILE HA 1 85 ILE HG13 . . 3.800 2.991 2.522 3.322 . 0 0 "[ . 1 . 2]" 1
1406 1 85 ILE HA 1 85 ILE MG . . 3.490 2.339 2.109 2.466 . 0 0 "[ . 1 . 2]" 1
1407 1 85 ILE HB 1 85 ILE MD . . 3.470 2.280 1.984 2.485 . 0 0 "[ . 1 . 2]" 1
1408 1 85 ILE HB 1 91 ARG QD . . 4.560 2.658 1.991 3.589 . 0 0 "[ . 1 . 2]" 1
1409 1 85 ILE HB 1 91 ARG QG . . 4.310 2.330 1.865 2.773 . 0 0 "[ . 1 . 2]" 1
1410 1 85 ILE MD 1 85 ILE MG . . 3.220 2.101 1.858 3.121 . 0 0 "[ . 1 . 2]" 1
1411 1 85 ILE MD 1 90 GLU QB . . 4.750 3.393 2.680 4.400 . 0 0 "[ . 1 . 2]" 1
1412 1 85 ILE MD 1 91 ARG HA . . 3.950 3.023 2.659 3.582 . 0 0 "[ . 1 . 2]" 1
1413 1 85 ILE MD 1 91 ARG QG . . 4.750 2.029 1.875 2.261 . 0 0 "[ . 1 . 2]" 1
1414 1 85 ILE MD 1 94 LEU HB3 . . 4.330 3.860 3.470 4.296 . 0 0 "[ . 1 . 2]" 1
1415 1 85 ILE QG 1 85 ILE MG . . 3.280 2.317 2.003 2.518 . 0 0 "[ . 1 . 2]" 1
1416 1 85 ILE QG 1 91 ARG QG . . 4.920 3.611 3.359 4.018 . 0 0 "[ . 1 . 2]" 1
1417 1 85 ILE MG 1 86 LYS QB . . 4.680 3.935 3.520 4.528 . 0 0 "[ . 1 . 2]" 1
1418 1 85 ILE MG 1 87 LYS H . . 3.740 2.496 1.911 3.121 . 0 0 "[ . 1 . 2]" 1
1419 1 85 ILE MG 1 90 GLU H . . 4.350 4.080 3.477 4.349 . 0 0 "[ . 1 . 2]" 1
1420 1 85 ILE MG 1 90 GLU HB2 . . 3.470 2.724 2.116 3.470 . 14 0 "[ . 1 . 2]" 1
1421 1 85 ILE MG 1 90 GLU HB3 . . 3.470 2.730 1.949 3.470 . 0 0 "[ . 1 . 2]" 1
1422 1 85 ILE MG 1 90 GLU QG . . 4.030 3.536 2.711 4.031 0.001 15 0 "[ . 1 . 2]" 1
1423 1 85 ILE MG 1 91 ARG H . . 3.980 3.678 2.993 3.980 0.000 14 0 "[ . 1 . 2]" 1
1424 1 85 ILE MG 1 91 ARG HA . . 4.310 3.890 2.858 4.294 . 0 0 "[ . 1 . 2]" 1
1425 1 85 ILE MG 1 91 ARG QD . . 4.530 3.715 3.153 4.384 . 0 0 "[ . 1 . 2]" 1
1426 1 85 ILE MG 1 91 ARG QG . . 3.530 2.397 1.943 2.986 . 0 0 "[ . 1 . 2]" 1
1427 1 86 LYS H 1 87 LYS H . . 4.110 2.369 1.913 3.037 . 0 0 "[ . 1 . 2]" 1
1428 1 86 LYS HA 1 86 LYS QD . . 4.420 3.422 2.042 4.411 . 0 0 "[ . 1 . 2]" 1
1429 1 86 LYS HA 1 86 LYS HG2 . . 3.950 2.993 2.119 3.831 . 0 0 "[ . 1 . 2]" 1
1430 1 86 LYS HA 1 86 LYS QG . . 3.420 2.480 2.076 3.310 . 0 0 "[ . 1 . 2]" 1
1431 1 86 LYS HA 1 86 LYS HG3 . . 3.950 3.019 2.094 3.766 . 0 0 "[ . 1 . 2]" 1
1432 1 86 LYS QB 1 86 LYS QD . . 2.400 2.191 2.043 2.325 . 0 0 "[ . 1 . 2]" 1
1433 1 86 LYS QB 1 87 LYS H . . 3.800 2.733 1.950 3.795 . 0 0 "[ . 1 . 2]" 1
1434 1 86 LYS QD 1 86 LYS QG . . 2.460 2.091 2.060 2.131 . 0 0 "[ . 1 . 2]" 1
1435 1 86 LYS QE 1 86 LYS HG2 . . 3.250 2.771 2.082 3.251 0.001 11 0 "[ . 1 . 2]" 1
1436 1 86 LYS QE 1 86 LYS HG3 . . 3.250 2.581 2.075 3.250 . 0 0 "[ . 1 . 2]" 1
1437 1 87 LYS H 1 87 LYS HB2 . . 3.660 2.299 2.141 2.666 . 0 0 "[ . 1 . 2]" 1
1438 1 87 LYS H 1 87 LYS HB3 . . 3.660 3.514 3.442 3.618 . 0 0 "[ . 1 . 2]" 1
1439 1 87 LYS H 1 87 LYS QD . . 5.500 3.980 1.832 4.514 . 0 0 "[ . 1 . 2]" 1
1440 1 87 LYS H 1 87 LYS HG2 . . 4.060 3.067 2.168 3.895 . 0 0 "[ . 1 . 2]" 1
1441 1 87 LYS H 1 87 LYS QG . . 3.310 2.596 1.939 3.111 . 0 0 "[ . 1 . 2]" 1
1442 1 87 LYS H 1 87 LYS HG3 . . 4.060 3.197 1.997 3.914 . 0 0 "[ . 1 . 2]" 1
1443 1 87 LYS HA 1 87 LYS QD . . 4.880 2.939 2.004 4.049 . 0 0 "[ . 1 . 2]" 1
1444 1 87 LYS HA 1 87 LYS HG2 . . 3.680 2.518 2.122 3.577 . 0 0 "[ . 1 . 2]" 1
1445 1 87 LYS HA 1 87 LYS QG . . 3.220 2.389 2.076 3.064 . 0 0 "[ . 1 . 2]" 1
1446 1 87 LYS HA 1 87 LYS HG3 . . 3.680 3.295 2.354 3.680 . 0 0 "[ . 1 . 2]" 1
1447 1 87 LYS QB 1 87 LYS QG . . 2.240 2.082 2.014 2.135 . 0 0 "[ . 1 . 2]" 1
1448 1 87 LYS QB 1 89 GLU H . . 4.600 3.106 2.723 3.740 . 0 0 "[ . 1 . 2]" 1
1449 1 87 LYS QB 1 90 GLU H . . 4.650 2.450 2.021 2.715 . 0 0 "[ . 1 . 2]" 1
1450 1 87 LYS QD 1 87 LYS QG . . 2.490 2.076 2.009 2.135 . 0 0 "[ . 1 . 2]" 1
1451 1 87 LYS QE 1 87 LYS HG2 . . 3.520 2.929 2.112 3.512 . 0 0 "[ . 1 . 2]" 1
1452 1 87 LYS QE 1 87 LYS QG . . 2.980 2.323 2.088 2.770 . 0 0 "[ . 1 . 2]" 1
1453 1 87 LYS QE 1 87 LYS HG3 . . 3.520 2.693 2.215 3.305 . 0 0 "[ . 1 . 2]" 1
1454 1 88 LYS HA 1 88 LYS QE . . 5.040 4.510 3.949 5.040 . 0 0 "[ . 1 . 2]" 1
1455 1 88 LYS HA 1 88 LYS QG . . 3.550 3.107 2.475 3.406 . 0 0 "[ . 1 . 2]" 1
1456 1 88 LYS HA 1 91 ARG H . . 4.210 3.355 2.968 3.726 . 0 0 "[ . 1 . 2]" 1
1457 1 88 LYS HA 1 91 ARG QB . . 4.700 2.745 1.970 3.616 . 0 0 "[ . 1 . 2]" 1
1458 1 88 LYS HA 1 91 ARG HE . . 4.700 3.233 1.969 4.721 0.021 15 0 "[ . 1 . 2]" 1
1459 1 88 LYS HA 1 92 ALA H . . 4.940 4.465 4.108 4.862 . 0 0 "[ . 1 . 2]" 1
1460 1 88 LYS QB 1 88 LYS QE . . 4.500 2.950 1.882 3.868 . 0 0 "[ . 1 . 2]" 1
1461 1 88 LYS QB 1 88 LYS QG . . 2.380 2.091 2.021 2.135 . 0 0 "[ . 1 . 2]" 1
1462 1 88 LYS QB 1 89 GLU H . . 3.810 3.235 2.183 3.762 . 0 0 "[ . 1 . 2]" 1
1463 1 88 LYS HB2 1 89 GLU H . . 4.540 3.729 2.206 4.450 . 0 0 "[ . 1 . 2]" 1
1464 1 88 LYS HB3 1 89 GLU H . . 4.540 3.836 2.914 4.309 . 0 0 "[ . 1 . 2]" 1
1465 1 88 LYS QD 1 89 GLU H . . 5.410 3.972 1.902 5.350 . 0 0 "[ . 1 . 2]" 1
1466 1 88 LYS QE 1 88 LYS QG . . 3.200 2.379 2.029 2.916 . 0 0 "[ . 1 . 2]" 1
1467 1 88 LYS QG 1 89 GLU H . . 4.130 2.998 1.862 3.810 . 0 0 "[ . 1 . 2]" 1
1468 1 88 LYS HG2 1 89 GLU H . . 4.800 3.195 1.980 4.722 . 0 0 "[ . 1 . 2]" 1
1469 1 88 LYS HG3 1 89 GLU H . . 4.800 3.869 2.267 4.730 . 0 0 "[ . 1 . 2]" 1
1470 1 89 GLU H 1 89 GLU QB . . 3.460 2.205 2.106 2.406 . 0 0 "[ . 1 . 2]" 1
1471 1 89 GLU H 1 89 GLU HG2 . . 4.640 4.171 3.333 4.607 . 0 0 "[ . 1 . 2]" 1
1472 1 89 GLU H 1 89 GLU HG3 . . 4.640 3.868 2.122 4.510 . 0 0 "[ . 1 . 2]" 1
1473 1 89 GLU H 1 90 GLU H . . 3.990 2.716 2.383 2.963 . 0 0 "[ . 1 . 2]" 1
1474 1 89 GLU HA 1 89 GLU HG2 . . 3.740 3.101 2.175 3.690 . 0 0 "[ . 1 . 2]" 1
1475 1 89 GLU HA 1 89 GLU QG . . 3.060 2.364 2.132 2.845 . 0 0 "[ . 1 . 2]" 1
1476 1 89 GLU HA 1 89 GLU HG3 . . 3.740 2.575 2.176 3.067 . 0 0 "[ . 1 . 2]" 1
1477 1 89 GLU HA 1 92 ALA H . . 3.730 3.138 2.713 3.535 . 0 0 "[ . 1 . 2]" 1
1478 1 89 GLU HA 1 92 ALA MB . . 3.120 2.478 1.976 3.027 . 0 0 "[ . 1 . 2]" 1
1479 1 89 GLU QB 1 90 GLU H . . 3.530 2.648 2.101 3.244 . 0 0 "[ . 1 . 2]" 1
1480 1 89 GLU QG 1 90 GLU H . . 4.560 3.985 3.348 4.508 . 0 0 "[ . 1 . 2]" 1
1481 1 89 GLU QG 1 92 ALA MB . . 4.410 3.547 2.730 4.289 . 0 0 "[ . 1 . 2]" 1
1482 1 89 GLU HG2 1 90 GLU H . . 5.240 4.416 3.470 5.193 . 0 0 "[ . 1 . 2]" 1
1483 1 89 GLU HG3 1 90 GLU H . . 5.240 4.682 3.711 5.103 . 0 0 "[ . 1 . 2]" 1
1484 1 90 GLU H 1 90 GLU HB2 . . 3.770 2.274 2.025 2.635 . 0 0 "[ . 1 . 2]" 1
1485 1 90 GLU H 1 90 GLU QB . . 3.110 2.237 2.004 2.567 . 0 0 "[ . 1 . 2]" 1
1486 1 90 GLU H 1 90 GLU HB3 . . 3.770 3.362 2.871 3.585 . 0 0 "[ . 1 . 2]" 1
1487 1 90 GLU H 1 90 GLU QG . . 3.770 3.044 1.991 3.780 0.010 4 0 "[ . 1 . 2]" 1
1488 1 90 GLU H 1 91 ARG H . . 3.410 2.644 2.145 2.978 . 0 0 "[ . 1 . 2]" 1
1489 1 90 GLU H 1 91 ARG QB . . 4.860 4.566 4.137 4.855 . 0 0 "[ . 1 . 2]" 1
1490 1 90 GLU HA 1 90 GLU QG . . 3.180 2.420 2.041 3.130 . 0 0 "[ . 1 . 2]" 1
1491 1 90 GLU HA 1 93 ASP H . . 4.120 3.645 3.230 4.050 . 0 0 "[ . 1 . 2]" 1
1492 1 90 GLU HA 1 93 ASP QB . . 3.440 3.075 2.140 3.441 0.001 17 0 "[ . 1 . 2]" 1
1493 1 90 GLU QB 1 91 ARG H . . 3.470 3.010 2.695 3.341 . 0 0 "[ . 1 . 2]" 1
1494 1 90 GLU HB2 1 91 ARG H . . 4.120 3.338 2.875 3.969 . 0 0 "[ . 1 . 2]" 1
1495 1 90 GLU HB3 1 91 ARG H . . 4.120 3.681 2.773 4.129 0.009 15 0 "[ . 1 . 2]" 1
1496 1 91 ARG H 1 91 ARG QB . . 3.360 2.268 2.058 2.640 . 0 0 "[ . 1 . 2]" 1
1497 1 91 ARG H 1 91 ARG HG2 . . 4.190 3.626 3.222 4.112 . 0 0 "[ . 1 . 2]" 1
1498 1 91 ARG H 1 91 ARG HG3 . . 4.190 2.771 2.010 3.486 . 0 0 "[ . 1 . 2]" 1
1499 1 91 ARG H 1 92 ALA H . . 3.550 2.370 2.075 2.638 . 0 0 "[ . 1 . 2]" 1
1500 1 91 ARG HA 1 91 ARG QG . . 3.320 2.236 1.986 2.615 . 0 0 "[ . 1 . 2]" 1
1501 1 91 ARG HA 1 94 LEU H . . 4.380 3.420 2.987 3.918 . 0 0 "[ . 1 . 2]" 1
1502 1 91 ARG HA 1 94 LEU HB2 . . 4.270 3.463 2.890 4.049 . 0 0 "[ . 1 . 2]" 1
1503 1 91 ARG HA 1 94 LEU HB3 . . 3.590 2.611 2.170 3.485 . 0 0 "[ . 1 . 2]" 1
1504 1 91 ARG HA 1 94 LEU QD . . 4.420 3.337 2.823 3.862 . 0 0 "[ . 1 . 2]" 1
1505 1 91 ARG QB 1 91 ARG QD . . 3.320 2.248 2.095 2.536 . 0 0 "[ . 1 . 2]" 1
1506 1 91 ARG QB 1 91 ARG HE . . 4.190 2.850 2.288 3.915 . 0 0 "[ . 1 . 2]" 1
1507 1 91 ARG QB 1 92 ALA H . . 4.060 2.789 2.368 3.029 . 0 0 "[ . 1 . 2]" 1
1508 1 91 ARG QB 1 93 ASP H . . 5.340 4.794 4.375 5.180 . 0 0 "[ . 1 . 2]" 1
1509 1 92 ALA H 1 92 ALA MB . . 3.040 2.042 1.946 2.176 . 0 0 "[ . 1 . 2]" 1
1510 1 92 ALA H 1 93 ASP H . . 3.630 2.641 2.332 3.004 . 0 0 "[ . 1 . 2]" 1
1511 1 92 ALA HA 1 95 ILE H . . 4.420 3.564 3.077 4.186 . 0 0 "[ . 1 . 2]" 1
1512 1 92 ALA HA 1 95 ILE HB . . 3.410 2.848 2.324 3.300 . 0 0 "[ . 1 . 2]" 1
1513 1 92 ALA HA 1 95 ILE MD . . 3.440 2.948 2.396 3.371 . 0 0 "[ . 1 . 2]" 1
1514 1 92 ALA HA 1 95 ILE MG . . 4.560 4.060 3.524 4.555 . 0 0 "[ . 1 . 2]" 1
1515 1 92 ALA HA 1 96 ALA H . . 4.510 4.176 3.735 4.514 0.004 15 0 "[ . 1 . 2]" 1
1516 1 92 ALA MB 1 93 ASP H . . 3.570 2.701 2.114 3.325 . 0 0 "[ . 1 . 2]" 1
1517 1 92 ALA MB 1 93 ASP HA . . 4.390 3.787 3.564 4.043 . 0 0 "[ . 1 . 2]" 1
1518 1 93 ASP H 1 93 ASP QB . . 3.290 2.410 2.128 2.719 . 0 0 "[ . 1 . 2]" 1
1519 1 93 ASP H 1 94 LEU H . . 3.840 2.586 1.952 3.016 . 0 0 "[ . 1 . 2]" 1
1520 1 93 ASP HA 1 95 ILE H . . 5.370 4.318 3.896 5.005 . 0 0 "[ . 1 . 2]" 1
1521 1 93 ASP HA 1 96 ALA H . . 4.020 3.156 2.883 3.467 . 0 0 "[ . 1 . 2]" 1
1522 1 93 ASP HA 1 96 ALA MB . . 3.690 2.102 1.929 2.575 . 0 0 "[ . 1 . 2]" 1
1523 1 93 ASP QB 1 94 LEU H . . 3.560 2.490 2.093 3.560 . 0 0 "[ . 1 . 2]" 1
1524 1 94 LEU H 1 94 LEU HB2 . . 3.430 2.406 2.104 2.646 . 0 0 "[ . 1 . 2]" 1
1525 1 94 LEU H 1 94 LEU HB3 . . 3.330 2.495 2.277 2.828 . 0 0 "[ . 1 . 2]" 1
1526 1 94 LEU H 1 94 LEU MD1 . . 4.750 4.075 3.823 4.256 . 0 0 "[ . 1 . 2]" 1
1527 1 94 LEU H 1 94 LEU QD . . 4.090 3.637 3.523 3.730 . 0 0 "[ . 1 . 2]" 1
1528 1 94 LEU H 1 94 LEU MD2 . . 4.750 4.098 3.946 4.245 . 0 0 "[ . 1 . 2]" 1
1529 1 94 LEU H 1 94 LEU HG . . 4.590 4.403 4.089 4.592 0.002 17 0 "[ . 1 . 2]" 1
1530 1 94 LEU H 1 95 ILE H . . 3.600 2.728 2.381 3.162 . 0 0 "[ . 1 . 2]" 1
1531 1 94 LEU HA 1 94 LEU MD1 . . 4.150 2.984 1.978 3.825 . 0 0 "[ . 1 . 2]" 1
1532 1 94 LEU HA 1 94 LEU QD . . 3.140 2.144 1.880 2.581 . 0 0 "[ . 1 . 2]" 1
1533 1 94 LEU HA 1 94 LEU MD2 . . 4.150 2.858 1.891 3.983 . 0 0 "[ . 1 . 2]" 1
1534 1 94 LEU HA 1 94 LEU HG . . 3.700 3.225 2.416 3.699 . 0 0 "[ . 1 . 2]" 1
1535 1 94 LEU HA 1 97 TYR QB . . 3.820 2.939 2.699 3.220 . 0 0 "[ . 1 . 2]" 1
1536 1 94 LEU HB2 1 95 ILE H . . 4.210 3.954 3.613 4.212 0.002 14 0 "[ . 1 . 2]" 1
1537 1 94 LEU HB3 1 94 LEU MD1 . . 3.480 2.608 2.070 3.221 . 0 0 "[ . 1 . 2]" 1
1538 1 94 LEU HB3 1 94 LEU QD . . 2.960 2.120 2.045 2.319 . 0 0 "[ . 1 . 2]" 1
1539 1 94 LEU HB3 1 94 LEU MD2 . . 3.480 2.632 2.122 3.206 . 0 0 "[ . 1 . 2]" 1
1540 1 94 LEU HB3 1 95 ILE H . . 3.510 2.780 2.180 3.059 . 0 0 "[ . 1 . 2]" 1
1541 1 94 LEU QD 1 95 ILE H . . 4.030 3.574 2.752 4.034 0.004 11 0 "[ . 1 . 2]" 1
1542 1 94 LEU QD 1 97 TYR HD2 . . 3.890 2.728 2.189 3.046 . 0 0 "[ . 1 . 2]" 1
1543 1 94 LEU QD 1 98 LEU H . . 4.420 3.512 2.942 4.220 . 0 0 "[ . 1 . 2]" 1
1544 1 94 LEU QD 1 98 LEU QB . . 4.260 3.301 2.482 4.109 . 0 0 "[ . 1 . 2]" 1
1545 1 94 LEU QD 1 98 LEU HG . . 3.520 2.298 1.819 3.052 . 0 0 "[ . 1 . 2]" 1
1546 1 94 LEU MD1 1 95 ILE H . . 4.750 4.061 2.802 4.764 0.014 15 0 "[ . 1 . 2]" 1
1547 1 94 LEU MD2 1 95 ILE H . . 4.750 4.209 3.736 4.462 . 0 0 "[ . 1 . 2]" 1
1548 1 94 LEU HG 1 95 ILE H . . 5.270 4.586 3.589 5.272 0.002 8 0 "[ . 1 . 2]" 1
1549 1 94 LEU HG 1 98 LEU QD . . 4.410 3.287 1.822 4.397 . 0 0 "[ . 1 . 2]" 1
1550 1 95 ILE H 1 95 ILE HB . . 3.230 2.319 2.189 2.494 . 0 0 "[ . 1 . 2]" 1
1551 1 95 ILE H 1 95 ILE MD . . 3.780 3.381 2.978 3.645 . 0 0 "[ . 1 . 2]" 1
1552 1 95 ILE H 1 95 ILE HG12 . . 4.060 3.742 3.337 4.058 . 0 0 "[ . 1 . 2]" 1
1553 1 95 ILE H 1 95 ILE QG . . 3.370 2.373 1.933 2.745 . 0 0 "[ . 1 . 2]" 1
1554 1 95 ILE H 1 95 ILE HG13 . . 4.060 2.402 1.945 2.792 . 0 0 "[ . 1 . 2]" 1
1555 1 95 ILE H 1 95 ILE MG . . 4.170 3.676 3.610 3.743 . 0 0 "[ . 1 . 2]" 1
1556 1 95 ILE H 1 96 ALA H . . 3.280 2.460 2.244 2.939 . 0 0 "[ . 1 . 2]" 1
1557 1 95 ILE HA 1 95 ILE MD . . 3.990 3.834 3.779 3.903 . 0 0 "[ . 1 . 2]" 1
1558 1 95 ILE HA 1 95 ILE HG12 . . 3.620 2.629 2.440 2.805 . 0 0 "[ . 1 . 2]" 1
1559 1 95 ILE HA 1 95 ILE HG13 . . 3.620 2.724 2.551 2.919 . 0 0 "[ . 1 . 2]" 1
1560 1 95 ILE HA 1 95 ILE MG . . 3.470 2.466 2.295 2.608 . 0 0 "[ . 1 . 2]" 1
1561 1 95 ILE HA 1 98 LEU H . . 3.950 3.175 2.766 3.673 . 0 0 "[ . 1 . 2]" 1
1562 1 95 ILE HA 1 98 LEU HB2 . . 3.980 2.247 2.000 2.526 . 0 0 "[ . 1 . 2]" 1
1563 1 95 ILE HA 1 98 LEU QB . . 3.380 2.231 1.990 2.499 . 0 0 "[ . 1 . 2]" 1
1564 1 95 ILE HA 1 98 LEU HB3 . . 3.980 3.786 3.419 3.983 0.003 14 0 "[ . 1 . 2]" 1
1565 1 95 ILE HA 1 98 LEU QD . . 3.670 3.241 2.573 3.669 . 0 0 "[ . 1 . 2]" 1
1566 1 95 ILE HA 1 98 LEU HG . . 4.440 3.947 3.536 4.417 . 0 0 "[ . 1 . 2]" 1
1567 1 95 ILE HA 1 99 LYS H . . 4.650 3.732 3.362 4.227 . 0 0 "[ . 1 . 2]" 1
1568 1 95 ILE HB 1 95 ILE MD . . 3.190 2.173 2.058 2.305 . 0 0 "[ . 1 . 2]" 1
1569 1 95 ILE HB 1 96 ALA H . . 3.770 3.049 2.607 3.390 . 0 0 "[ . 1 . 2]" 1
1570 1 95 ILE HB 1 97 TYR H . . 5.500 5.192 4.782 5.501 0.001 8 0 "[ . 1 . 2]" 1
1571 1 95 ILE MD 1 95 ILE MG . . 3.330 2.170 1.973 2.398 . 0 0 "[ . 1 . 2]" 1
1572 1 95 ILE QG 1 95 ILE MG . . 2.840 2.281 2.080 2.398 . 0 0 "[ . 1 . 2]" 1
1573 1 95 ILE HG12 1 95 ILE MG . . 3.510 2.334 2.109 2.472 . 0 0 "[ . 1 . 2]" 1
1574 1 95 ILE HG13 1 95 ILE MG . . 3.510 3.217 3.171 3.231 . 0 0 "[ . 1 . 2]" 1
1575 1 95 ILE MG 1 96 ALA H . . 4.130 3.625 3.113 4.057 . 0 0 "[ . 1 . 2]" 1
1576 1 95 ILE MG 1 96 ALA HA . . 4.200 3.596 3.223 3.974 . 0 0 "[ . 1 . 2]" 1
1577 1 95 ILE MG 1 99 LYS H . . 4.580 3.800 3.434 4.355 . 0 0 "[ . 1 . 2]" 1
1578 1 96 ALA H 1 96 ALA MB . . 3.100 2.026 1.938 2.192 . 0 0 "[ . 1 . 2]" 1
1579 1 96 ALA H 1 97 TYR H . . 5.350 2.609 2.277 2.961 . 0 0 "[ . 1 . 2]" 1
1580 1 96 ALA HA 1 99 LYS H . . 3.990 3.865 3.547 3.991 0.001 1 0 "[ . 1 . 2]" 1
1581 1 96 ALA HA 1 99 LYS HB2 . . 4.630 4.211 2.772 4.654 0.024 14 0 "[ . 1 . 2]" 1
1582 1 96 ALA HA 1 99 LYS QB . . 4.070 3.144 2.580 3.704 . 0 0 "[ . 1 . 2]" 1
1583 1 96 ALA HA 1 99 LYS HB3 . . 4.630 3.312 2.644 4.171 . 0 0 "[ . 1 . 2]" 1
1584 1 96 ALA HA 1 100 LYS H . . 4.770 4.585 4.119 4.770 0.000 1 0 "[ . 1 . 2]" 1
1585 1 96 ALA MB 1 97 TYR H . . 3.580 2.802 2.255 3.095 . 0 0 "[ . 1 . 2]" 1
1586 1 96 ALA MB 1 97 TYR HA . . 3.940 3.887 3.698 3.941 0.001 3 0 "[ . 1 . 2]" 1
1587 1 97 TYR H 1 97 TYR HB2 . . 3.960 2.809 2.598 2.940 . 0 0 "[ . 1 . 2]" 1
1588 1 97 TYR H 1 97 TYR QB . . 3.210 1.999 1.947 2.073 . 0 0 "[ . 1 . 2]" 1
1589 1 97 TYR H 1 97 TYR HB3 . . 3.960 2.047 1.985 2.142 . 0 0 "[ . 1 . 2]" 1
1590 1 97 TYR H 1 97 TYR HD2 . . 4.460 4.359 4.232 4.474 0.014 15 0 "[ . 1 . 2]" 1
1591 1 97 TYR H 1 98 LEU H . . 3.510 2.424 2.153 2.892 . 0 0 "[ . 1 . 2]" 1
1592 1 97 TYR H 1 98 LEU QD . . 5.440 4.790 4.461 5.171 . 0 0 "[ . 1 . 2]" 1
1593 1 97 TYR H 1 98 LEU HG . . 5.500 4.656 4.224 5.175 . 0 0 "[ . 1 . 2]" 1
1594 1 97 TYR H 1 99 LYS H . . 4.850 3.688 3.408 4.204 . 0 0 "[ . 1 . 2]" 1
1595 1 97 TYR HA 1 97 TYR HD1 . . 3.720 2.399 2.269 2.488 . 0 0 "[ . 1 . 2]" 1
1596 1 97 TYR HA 1 97 TYR HD2 . . 4.910 4.827 4.782 4.861 . 0 0 "[ . 1 . 2]" 1
1597 1 97 TYR HA 1 100 LYS H . . 3.950 3.130 2.975 3.305 . 0 0 "[ . 1 . 2]" 1
1598 1 97 TYR HA 1 100 LYS HB2 . . 3.700 3.557 3.256 3.701 0.001 14 0 "[ . 1 . 2]" 1
1599 1 97 TYR HA 1 100 LYS HB3 . . 3.700 2.874 2.485 3.442 . 0 0 "[ . 1 . 2]" 1
1600 1 97 TYR HA 1 101 ALA H . . 4.320 4.023 3.464 4.240 . 0 0 "[ . 1 . 2]" 1
1601 1 97 TYR QB 1 97 TYR HD2 . . 3.170 2.309 2.282 2.350 . 0 0 "[ . 1 . 2]" 1
1602 1 97 TYR QB 1 98 LEU H . . 3.540 2.512 2.191 2.886 . 0 0 "[ . 1 . 2]" 1
1603 1 97 TYR HB2 1 98 LEU H . . 4.280 3.926 3.690 4.193 . 0 0 "[ . 1 . 2]" 1
1604 1 97 TYR HB3 1 98 LEU H . . 4.280 2.543 2.207 2.941 . 0 0 "[ . 1 . 2]" 1
1605 1 97 TYR HD1 1 101 ALA HA . . 4.650 4.270 3.811 4.638 . 0 0 "[ . 1 . 2]" 1
1606 1 97 TYR HD1 1 101 ALA MB . . 4.490 2.805 2.453 3.488 . 0 0 "[ . 1 . 2]" 1
1607 1 97 TYR HD2 1 98 LEU H . . 4.280 3.895 3.534 4.285 0.005 11 0 "[ . 1 . 2]" 1
1608 1 97 TYR HD2 1 98 LEU QD . . 3.960 3.555 3.019 3.954 . 0 0 "[ . 1 . 2]" 1
1609 1 97 TYR HD2 1 98 LEU HG . . 3.980 3.623 3.244 3.854 . 0 0 "[ . 1 . 2]" 1
1610 1 97 TYR HD2 1 101 ALA MB . . 4.900 4.734 4.382 4.900 0.000 9 0 "[ . 1 . 2]" 1
1611 1 97 TYR HE1 1 98 LEU QD . . 5.280 4.766 3.840 5.281 0.001 5 0 "[ . 1 . 2]" 1
1612 1 97 TYR HE1 1 101 ALA MB . . 3.910 2.356 2.020 2.876 . 0 0 "[ . 1 . 2]" 1
1613 1 97 TYR HE2 1 98 LEU QD . . 4.070 3.502 2.861 3.937 . 0 0 "[ . 1 . 2]" 1
1614 1 97 TYR HE2 1 101 ALA MB . . 4.770 4.463 4.094 4.707 . 0 0 "[ . 1 . 2]" 1
1615 1 98 LEU H 1 98 LEU HB2 . . 3.950 2.232 2.118 2.420 . 0 0 "[ . 1 . 2]" 1
1616 1 98 LEU H 1 98 LEU QB . . 3.230 2.207 2.099 2.381 . 0 0 "[ . 1 . 2]" 1
1617 1 98 LEU H 1 98 LEU HB3 . . 3.950 3.485 3.423 3.540 . 0 0 "[ . 1 . 2]" 1
1618 1 98 LEU H 1 98 LEU MD1 . . 4.530 3.824 3.552 3.977 . 0 0 "[ . 1 . 2]" 1
1619 1 98 LEU H 1 98 LEU QD . . 3.870 3.217 2.728 3.426 . 0 0 "[ . 1 . 2]" 1
1620 1 98 LEU H 1 98 LEU MD2 . . 4.530 3.490 2.787 3.757 . 0 0 "[ . 1 . 2]" 1
1621 1 98 LEU H 1 98 LEU HG . . 3.500 2.676 2.375 3.024 . 0 0 "[ . 1 . 2]" 1
1622 1 98 LEU HA 1 98 LEU MD1 . . 4.590 3.767 3.678 3.839 . 0 0 "[ . 1 . 2]" 1
1623 1 98 LEU HA 1 98 LEU QD . . 3.040 1.949 1.874 2.199 . 0 0 "[ . 1 . 2]" 1
1624 1 98 LEU HA 1 98 LEU MD2 . . 4.590 1.956 1.880 2.213 . 0 0 "[ . 1 . 2]" 1
1625 1 98 LEU HA 1 98 LEU HG . . 4.070 2.978 2.776 3.284 . 0 0 "[ . 1 . 2]" 1
1626 1 98 LEU HA 1 99 LYS HA . . 5.050 4.699 4.582 4.862 . 0 0 "[ . 1 . 2]" 1
1627 1 98 LEU HA 1 100 LYS H . . 5.030 4.316 3.791 5.024 . 0 0 "[ . 1 . 2]" 1
1628 1 98 LEU HA 1 101 ALA H . . 4.230 3.197 2.944 3.841 . 0 0 "[ . 1 . 2]" 1
1629 1 98 LEU HA 1 101 ALA MB . . 3.680 2.157 1.933 2.803 . 0 0 "[ . 1 . 2]" 1
1630 1 98 LEU HA 1 102 THR H . . 4.300 3.928 3.575 4.297 . 0 0 "[ . 1 . 2]" 1
1631 1 98 LEU HA 1 102 THR MG . . 3.630 3.321 2.842 3.629 . 0 0 "[ . 1 . 2]" 1
1632 1 98 LEU QB 1 98 LEU QD . . 2.870 1.954 1.912 1.992 . 0 0 "[ . 1 . 2]" 1
1633 1 98 LEU QB 1 99 LYS H . . 3.550 2.978 2.572 3.291 . 0 0 "[ . 1 . 2]" 1
1634 1 98 LEU QB 1 100 LYS H . . 5.340 4.826 4.350 5.323 . 0 0 "[ . 1 . 2]" 1
1635 1 98 LEU HB2 1 99 LYS H . . 4.150 3.123 2.648 3.469 . 0 0 "[ . 1 . 2]" 1
1636 1 98 LEU HB3 1 99 LYS H . . 4.150 3.766 3.338 4.108 . 0 0 "[ . 1 . 2]" 1
1637 1 98 LEU QD 1 99 LYS H . . 4.900 4.298 4.132 4.427 . 0 0 "[ . 1 . 2]" 1
1638 1 98 LEU QD 1 102 THR H . . 5.440 4.516 4.000 4.958 . 0 0 "[ . 1 . 2]" 1
1639 1 98 LEU QD 1 102 THR MG . . 3.670 3.012 2.504 3.535 . 0 0 "[ . 1 . 2]" 1
1640 1 98 LEU HG 1 99 LYS H . . 4.950 4.847 4.567 4.951 0.001 8 0 "[ . 1 . 2]" 1
1641 1 99 LYS H 1 99 LYS HB2 . . 3.530 2.871 2.124 3.571 0.041 14 0 "[ . 1 . 2]" 1
1642 1 99 LYS H 1 99 LYS QB . . 3.050 2.243 2.105 2.456 . 0 0 "[ . 1 . 2]" 1
1643 1 99 LYS H 1 99 LYS HB3 . . 3.530 2.434 2.236 3.428 . 0 0 "[ . 1 . 2]" 1
1644 1 99 LYS H 1 99 LYS QG . . 4.520 3.504 2.096 3.967 . 0 0 "[ . 1 . 2]" 1
1645 1 99 LYS H 1 100 LYS H . . 3.500 2.454 2.084 2.911 . 0 0 "[ . 1 . 2]" 1
1646 1 99 LYS H 1 102 THR H . . 5.450 4.644 4.150 5.036 . 0 0 "[ . 1 . 2]" 1
1647 1 99 LYS HA 1 99 LYS HG2 . . 3.900 3.303 2.126 3.815 . 0 0 "[ . 1 . 2]" 1
1648 1 99 LYS HA 1 99 LYS QG . . 3.260 2.638 2.076 3.317 0.057 14 0 "[ . 1 . 2]" 1
1649 1 99 LYS HA 1 99 LYS HG3 . . 3.900 2.832 2.406 3.688 . 0 0 "[ . 1 . 2]" 1
1650 1 99 LYS HA 1 102 THR H . . 4.290 3.527 3.095 3.917 . 0 0 "[ . 1 . 2]" 1
1651 1 99 LYS HA 1 102 THR HG1 . . 4.060 3.396 2.766 4.060 . 8 0 "[ . 1 . 2]" 1
1652 1 99 LYS QB 1 99 LYS QD . . 2.340 2.132 2.079 2.152 . 0 0 "[ . 1 . 2]" 1
1653 1 99 LYS QB 1 99 LYS QE . . 3.930 3.634 3.489 3.726 . 0 0 "[ . 1 . 2]" 1
1654 1 99 LYS QB 1 100 LYS H . . 3.650 3.005 2.480 3.626 . 0 0 "[ . 1 . 2]" 1
1655 1 99 LYS QB 1 100 LYS HA . . 4.740 4.445 3.895 4.743 0.003 9 0 "[ . 1 . 2]" 1
1656 1 99 LYS HB2 1 99 LYS HD2 . . 3.540 2.493 2.210 2.817 . 0 0 "[ . 1 . 2]" 1
1657 1 99 LYS HB2 1 99 LYS HD3 . . 3.540 3.071 2.706 3.361 . 0 0 "[ . 1 . 2]" 1
1658 1 99 LYS HB2 1 99 LYS QE . . 4.800 4.055 3.780 4.311 . 0 0 "[ . 1 . 2]" 1
1659 1 99 LYS HB3 1 99 LYS HD2 . . 3.540 3.080 2.765 3.554 0.014 16 0 "[ . 1 . 2]" 1
1660 1 99 LYS HB3 1 99 LYS HD3 . . 3.540 2.657 2.304 3.534 . 0 0 "[ . 1 . 2]" 1
1661 1 99 LYS HB3 1 99 LYS QE . . 4.800 4.145 3.878 4.524 . 0 0 "[ . 1 . 2]" 1
1662 1 99 LYS QE 1 99 LYS HG2 . . 3.900 2.708 2.281 3.243 . 0 0 "[ . 1 . 2]" 1
1663 1 99 LYS QE 1 99 LYS QG . . 3.420 2.282 2.089 2.576 . 0 0 "[ . 1 . 2]" 1
1664 1 99 LYS QE 1 99 LYS HG3 . . 3.900 2.580 2.175 3.145 . 0 0 "[ . 1 . 2]" 1
1665 1 99 LYS QG 1 100 LYS H . . 4.400 3.400 2.221 4.343 . 0 0 "[ . 1 . 2]" 1
1666 1 100 LYS H 1 100 LYS HB2 . . 3.580 2.478 2.132 2.797 . 0 0 "[ . 1 . 2]" 1
1667 1 100 LYS H 1 100 LYS QB . . 2.920 2.259 2.076 2.403 . 0 0 "[ . 1 . 2]" 1
1668 1 100 LYS H 1 100 LYS HB3 . . 3.580 2.649 2.500 2.855 . 0 0 "[ . 1 . 2]" 1
1669 1 100 LYS H 1 100 LYS QD . . 4.840 4.520 4.328 4.763 . 0 0 "[ . 1 . 2]" 1
1670 1 100 LYS H 1 100 LYS QG . . 4.350 3.945 3.750 4.038 . 0 0 "[ . 1 . 2]" 1
1671 1 100 LYS H 1 101 ALA H . . 3.250 2.314 1.978 2.701 . 0 0 "[ . 1 . 2]" 1
1672 1 100 LYS H 1 101 ALA MB . . 4.390 3.896 3.597 4.324 . 0 0 "[ . 1 . 2]" 1
1673 1 100 LYS HA 1 100 LYS QB . . 2.630 2.433 2.385 2.485 . 0 0 "[ . 1 . 2]" 1
1674 1 100 LYS HA 1 100 LYS HD2 . . 4.810 4.470 4.285 4.809 . 0 0 "[ . 1 . 2]" 1
1675 1 100 LYS HA 1 100 LYS QD . . 4.200 4.000 3.287 4.156 . 0 0 "[ . 1 . 2]" 1
1676 1 100 LYS HA 1 100 LYS HD3 . . 4.810 4.552 3.393 4.763 . 0 0 "[ . 1 . 2]" 1
1677 1 100 LYS HA 1 100 LYS HG2 . . 3.370 2.698 2.077 2.898 . 0 0 "[ . 1 . 2]" 1
1678 1 100 LYS HA 1 100 LYS HG3 . . 3.370 2.544 2.312 3.368 . 0 0 "[ . 1 . 2]" 1
1679 1 100 LYS HA 1 103 ASN H . . 4.410 3.528 3.184 4.024 . 0 0 "[ . 1 . 2]" 1
1680 1 100 LYS HA 1 103 ASN QB . . 3.940 2.212 1.942 2.565 . 0 0 "[ . 1 . 2]" 1
1681 1 100 LYS HA 1 104 GLU QG . . 4.470 4.269 3.577 4.470 . 0 0 "[ . 1 . 2]" 1
1682 1 100 LYS QB 1 101 ALA H . . 3.260 3.190 2.811 3.263 0.003 19 0 "[ . 1 . 2]" 1
1683 1 100 LYS QD 1 100 LYS QG . . 2.330 2.098 2.051 2.134 . 0 0 "[ . 1 . 2]" 1
1684 1 100 LYS QE 1 100 LYS HG2 . . 3.570 2.849 2.219 3.536 . 0 0 "[ . 1 . 2]" 1
1685 1 100 LYS QE 1 100 LYS HG3 . . 3.570 2.652 2.164 3.484 . 0 0 "[ . 1 . 2]" 1
1686 1 100 LYS QG 1 101 ALA H . . 4.580 4.368 4.215 4.573 . 0 0 "[ . 1 . 2]" 1
1687 1 100 LYS HG2 1 101 ALA H . . 5.400 4.644 4.431 4.946 . 0 0 "[ . 1 . 2]" 1
1688 1 100 LYS HG3 1 101 ALA H . . 5.400 5.327 5.222 5.404 0.004 18 0 "[ . 1 . 2]" 1
1689 1 101 ALA H 1 101 ALA MB . . 3.010 2.145 2.005 2.225 . 0 0 "[ . 1 . 2]" 1
1690 1 101 ALA H 1 102 THR H . . 3.550 2.401 2.194 2.640 . 0 0 "[ . 1 . 2]" 1
1691 1 101 ALA H 1 102 THR MG . . 4.410 3.705 3.290 3.974 . 0 0 "[ . 1 . 2]" 1
1692 1 101 ALA HA 1 103 ASN H . . 4.930 3.912 3.588 4.920 . 0 0 "[ . 1 . 2]" 1
1693 1 101 ALA HA 1 104 GLU H . . 4.390 4.112 3.794 4.391 0.001 20 0 "[ . 1 . 2]" 1
1694 1 101 ALA HA 1 104 GLU QB . . 4.780 4.266 3.250 4.766 . 0 0 "[ . 1 . 2]" 1
1695 1 101 ALA HA 1 104 GLU QG . . 3.900 3.255 2.309 3.869 . 0 0 "[ . 1 . 2]" 1
1696 1 101 ALA MB 1 102 THR H . . 3.680 2.685 2.249 3.115 . 0 0 "[ . 1 . 2]" 1
1697 1 102 THR H 1 102 THR HB . . 3.770 3.596 3.508 3.725 . 0 0 "[ . 1 . 2]" 1
1698 1 102 THR H 1 102 THR HG1 . . 3.750 3.400 3.121 3.585 . 0 0 "[ . 1 . 2]" 1
1699 1 102 THR H 1 102 THR MG . . 3.370 2.204 1.921 2.619 . 0 0 "[ . 1 . 2]" 1
1700 1 102 THR H 1 103 ASN H . . 3.560 2.633 2.358 3.106 . 0 0 "[ . 1 . 2]" 1
1701 1 102 THR H 1 103 ASN HB2 . . 4.760 4.457 3.868 4.761 0.001 3 0 "[ . 1 . 2]" 1
1702 1 102 THR H 1 103 ASN HB3 . . 4.760 4.476 4.149 4.757 . 0 0 "[ . 1 . 2]" 1
1703 1 102 THR HA 1 102 THR MG . . 3.450 2.559 2.472 2.661 . 0 0 "[ . 1 . 2]" 1
1704 1 102 THR HB 1 103 ASN H . . 4.790 4.448 3.603 4.669 . 0 0 "[ . 1 . 2]" 1
1705 1 102 THR MG 1 103 ASN H . . 4.290 4.079 3.575 4.288 . 0 0 "[ . 1 . 2]" 1
1706 1 103 ASN H 1 103 ASN HB2 . . 3.890 2.887 2.345 3.260 . 0 0 "[ . 1 . 2]" 1
1707 1 103 ASN H 1 103 ASN QB . . 3.360 2.321 2.189 2.550 . 0 0 "[ . 1 . 2]" 1
1708 1 103 ASN H 1 103 ASN HB3 . . 3.890 2.478 2.317 2.698 . 0 0 "[ . 1 . 2]" 1
1709 1 103 ASN H 1 104 GLU H . . 3.430 2.278 1.899 3.219 . 0 0 "[ . 1 . 2]" 1
1710 1 103 ASN H 1 104 GLU QG . . 4.860 3.559 2.665 4.417 . 0 0 "[ . 1 . 2]" 1
1711 1 103 ASN QB 1 104 GLU H . . 4.300 2.526 1.943 3.667 . 0 0 "[ . 1 . 2]" 1
1712 1 103 ASN HB2 1 104 GLU H . . 5.000 3.895 3.493 4.523 . 0 0 "[ . 1 . 2]" 1
1713 1 103 ASN HB3 1 104 GLU H . . 5.000 2.569 1.952 3.877 . 0 0 "[ . 1 . 2]" 1
1714 1 104 GLU H 1 104 GLU HB2 . . 3.970 2.857 2.382 3.728 . 0 0 "[ . 1 . 2]" 1
1715 1 104 GLU H 1 104 GLU HB3 . . 3.970 3.284 2.378 3.637 . 0 0 "[ . 1 . 2]" 1
1716 1 104 GLU H 1 104 GLU QG . . 4.120 2.116 1.921 2.341 . 0 0 "[ . 1 . 2]" 1
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