NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416600 |
2dk4   |
11355 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dk4
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 809
_Distance_constraint_stats_list.Viol_count 1274
_Distance_constraint_stats_list.Viol_total 2369.241
_Distance_constraint_stats_list.Viol_max 1.466
_Distance_constraint_stats_list.Viol_rms 0.0532
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0930
_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 11 ASN 1.371 0.204 11 0 "[ . 1 . 2]"
1 12 PRO 1.781 0.204 11 0 "[ . 1 . 2]"
1 13 VAL 0.411 0.046 17 0 "[ . 1 . 2]"
1 14 LEU 0.155 0.097 6 0 "[ . 1 . 2]"
1 15 GLU 0.942 0.196 2 0 "[ . 1 . 2]"
1 16 LEU 9.414 0.686 5 6 "[ + * -* **. 2]"
1 17 GLU 5.489 0.686 5 6 "[ + * -* **. 2]"
1 18 LEU 3.670 0.903 12 3 "[ * . -1 + . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.090 0.090 20 0 "[ . 1 . 2]"
1 21 GLU 1.515 0.189 5 0 "[ . 1 . 2]"
1 22 LYS 3.621 0.516 20 1 "[ . 1 . +]"
1 23 LEU 20.619 0.777 17 10 "[ *- . ** ** **. + *]"
1 24 PRO 13.171 0.777 17 5 "[ -* . * *. + 2]"
1 25 MET 0.026 0.008 15 0 "[ . 1 . 2]"
1 26 THR 0.017 0.004 7 0 "[ . 1 . 2]"
1 27 LEU 1.682 0.390 6 0 "[ . 1 . 2]"
1 28 SER 3.206 0.976 13 4 "[ .- *1 + .* 2]"
1 29 ARG 8.816 0.593 20 4 "[ - .* *1 . +]"
1 30 GLN 7.261 0.976 13 6 "[ .* *1 + ** -]"
1 31 GLU 3.775 0.656 14 1 "[ . 1 +. 2]"
1 32 VAL 0.644 0.052 11 0 "[ . 1 . 2]"
1 33 ILE 1.051 0.053 19 0 "[ . 1 . 2]"
1 34 ARG 0.493 0.070 3 0 "[ . 1 . 2]"
1 35 ARG 4.734 0.656 14 1 "[ . 1 +. 2]"
1 36 LEU 1.017 0.176 9 0 "[ . 1 . 2]"
1 37 ARG 1.528 0.660 1 1 "[+ . 1 . 2]"
1 38 GLU 0.548 0.284 16 0 "[ . 1 . 2]"
1 39 ARG 0.840 0.173 8 0 "[ . 1 . 2]"
1 40 GLY 0.655 0.173 8 0 "[ . 1 . 2]"
1 41 GLU 0.094 0.031 20 0 "[ . 1 . 2]"
1 42 PRO 0.109 0.024 20 0 "[ . 1 . 2]"
1 43 ILE 0.328 0.045 1 0 "[ . 1 . 2]"
1 44 ARG 0.136 0.016 16 0 "[ . 1 . 2]"
1 45 LEU 8.600 0.607 3 1 "[ + . 1 . 2]"
1 46 PHE 2.084 0.607 8 2 "[ - . + 1 . 2]"
1 47 GLY 1.856 0.607 8 2 "[ - . + 1 . 2]"
1 48 GLU 13.400 1.466 3 4 "[ + . *1 * . *2]"
1 49 THR 0.214 0.083 19 0 "[ . 1 . 2]"
1 50 ASP 0.080 0.039 20 0 "[ . 1 . 2]"
1 51 TYR 0.045 0.008 15 0 "[ . 1 . 2]"
1 52 ASP 1.671 0.630 9 1 "[ . +1 . 2]"
1 53 ALA 5.689 0.822 19 3 "[ . - * . +2]"
1 54 PHE 1.538 0.492 10 0 "[ . 1 . 2]"
1 55 GLN 2.416 0.818 19 3 "[ . - * . +2]"
1 56 ARG 18.235 1.466 3 5 "[ + . - * * . *2]"
1 57 LEU 5.288 0.148 13 0 "[ . 1 . 2]"
1 58 ARG 6.968 0.492 10 0 "[ . 1 . 2]"
1 59 LYS 4.783 0.363 3 0 "[ . 1 . 2]"
1 60 ILE 2.374 0.101 14 0 "[ . 1 . 2]"
1 61 GLU 2.118 0.075 9 0 "[ . 1 . 2]"
1 62 ILE 1.607 0.810 15 1 "[ . 1 + 2]"
1 63 LEU 0.853 0.810 15 1 "[ . 1 + 2]"
1 64 THR 0.994 0.104 20 0 "[ . 1 . 2]"
1 65 PRO 0.980 0.104 20 0 "[ . 1 . 2]"
1 66 GLU 0.017 0.010 18 0 "[ . 1 . 2]"
1 67 VAL 1.165 0.265 12 0 "[ . 1 . 2]"
1 68 ASN 0.016 0.010 19 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ASN HA 1 12 PRO HD2 . . 3.440 2.356 2.240 2.918 . 0 0 "[ . 1 . 2]" 1
2 1 11 ASN HA 1 12 PRO HD3 . . 3.220 2.161 1.971 2.378 . 0 0 "[ . 1 . 2]" 1
3 1 11 ASN HB2 1 12 PRO HD3 . . 4.690 4.606 3.074 4.894 0.204 11 0 "[ . 1 . 2]" 1
4 1 11 ASN HB3 1 12 PRO HD3 . . 4.920 4.420 3.194 4.876 . 0 0 "[ . 1 . 2]" 1
5 1 12 PRO HA 1 13 VAL H . . 3.480 3.318 2.520 3.526 0.046 17 0 "[ . 1 . 2]" 1
6 1 12 PRO HD2 1 13 VAL HB . . 4.470 4.443 4.339 4.474 0.004 16 0 "[ . 1 . 2]" 1
7 1 12 PRO HD3 1 13 VAL H . . 5.080 4.032 3.659 4.910 . 0 0 "[ . 1 . 2]" 1
8 1 13 VAL H 1 13 VAL HB . . 3.900 2.977 2.657 3.431 . 0 0 "[ . 1 . 2]" 1
9 1 13 VAL H 1 13 VAL MG1 . . 4.070 3.317 2.080 4.000 . 0 0 "[ . 1 . 2]" 1
10 1 13 VAL HA 1 14 LEU H . . 3.510 2.538 2.182 2.957 . 0 0 "[ . 1 . 2]" 1
11 1 13 VAL HB 1 14 LEU H . . 4.800 4.339 3.715 4.687 . 0 0 "[ . 1 . 2]" 1
12 1 14 LEU H 1 14 LEU QB . . 3.580 2.878 2.468 3.349 . 0 0 "[ . 1 . 2]" 1
13 1 14 LEU H 1 15 GLU H . . 4.050 3.722 2.344 4.147 0.097 6 0 "[ . 1 . 2]" 1
14 1 14 LEU HA 1 15 GLU H . . 3.090 2.436 2.177 3.086 . 0 0 "[ . 1 . 2]" 1
15 1 15 GLU HA 1 15 GLU HB2 . . 2.830 2.748 2.470 3.026 0.196 2 0 "[ . 1 . 2]" 1
16 1 15 GLU HA 1 15 GLU QG . . 3.430 2.348 1.980 3.406 . 0 0 "[ . 1 . 2]" 1
17 1 15 GLU HA 1 16 LEU H . . 3.310 2.394 2.202 2.677 . 0 0 "[ . 1 . 2]" 1
18 1 16 LEU H 1 16 LEU HB2 . . 3.450 3.287 2.226 3.885 0.435 14 0 "[ . 1 . 2]" 1
19 1 16 LEU H 1 16 LEU HB3 . . 3.820 3.453 3.031 3.888 0.068 9 0 "[ . 1 . 2]" 1
20 1 16 LEU H 1 16 LEU HG . . 3.920 3.191 2.220 3.922 0.002 11 0 "[ . 1 . 2]" 1
21 1 16 LEU H 1 17 GLU H . . 3.880 3.839 2.500 3.956 0.076 19 0 "[ . 1 . 2]" 1
22 1 16 LEU HA 1 17 GLU H . . 3.060 2.533 2.181 3.174 0.114 15 0 "[ . 1 . 2]" 1
23 1 16 LEU HB2 1 17 GLU H . . 4.660 3.583 1.980 4.632 . 0 0 "[ . 1 . 2]" 1
24 1 16 LEU HB3 1 17 GLU H . . 3.890 3.822 2.122 4.576 0.686 5 6 "[ + * -* **. 2]" 1
25 1 17 GLU H 1 17 GLU QB . . 3.460 3.029 2.217 3.362 . 0 0 "[ . 1 . 2]" 1
26 1 17 GLU H 1 17 GLU QG . . 4.140 2.909 1.940 4.126 . 0 0 "[ . 1 . 2]" 1
27 1 17 GLU HA 1 18 LEU H . . 3.030 2.323 2.220 2.569 . 0 0 "[ . 1 . 2]" 1
28 1 17 GLU QB 1 18 LEU H . . 3.930 3.293 2.338 3.921 . 0 0 "[ . 1 . 2]" 1
29 1 18 LEU H 1 18 LEU MD2 . . 4.920 4.001 2.119 4.825 . 0 0 "[ . 1 . 2]" 1
30 1 18 LEU HA 1 18 LEU MD2 . . 3.240 2.962 1.991 4.143 0.903 12 3 "[ * . -1 + . 2]" 1
31 1 18 LEU HA 1 18 LEU HG . . 4.150 2.773 2.120 3.718 . 0 0 "[ . 1 . 2]" 1
32 1 18 LEU HA 1 19 ALA H . . 3.240 2.487 2.222 2.992 . 0 0 "[ . 1 . 2]" 1
33 1 18 LEU QB 1 19 ALA H . . 3.340 2.721 1.959 3.245 . 0 0 "[ . 1 . 2]" 1
34 1 19 ALA H 1 20 GLU QB . . 4.050 3.752 3.276 3.946 . 0 0 "[ . 1 . 2]" 1
35 1 19 ALA HA 1 20 GLU H . . 3.350 2.568 2.201 2.920 . 0 0 "[ . 1 . 2]" 1
36 1 19 ALA MB 1 20 GLU H . . 3.840 3.073 1.911 3.792 . 0 0 "[ . 1 . 2]" 1
37 1 20 GLU H 1 20 GLU QB . . 3.380 2.819 2.271 3.133 . 0 0 "[ . 1 . 2]" 1
38 1 20 GLU H 1 20 GLU QG . . 4.410 3.855 2.039 4.224 . 0 0 "[ . 1 . 2]" 1
39 1 20 GLU HA 1 21 GLU H . . 3.070 2.580 2.252 2.990 . 0 0 "[ . 1 . 2]" 1
40 1 20 GLU HA 1 22 LYS H . . 3.340 3.260 3.111 3.430 0.090 20 0 "[ . 1 . 2]" 1
41 1 20 GLU HA 1 22 LYS QB . . 4.210 4.003 3.773 4.207 . 0 0 "[ . 1 . 2]" 1
42 1 21 GLU H 1 21 GLU HB2 . . 3.480 2.942 2.095 3.669 0.189 5 0 "[ . 1 . 2]" 1
43 1 21 GLU H 1 21 GLU QG . . 4.340 2.987 1.906 4.040 . 0 0 "[ . 1 . 2]" 1
44 1 21 GLU HA 1 21 GLU QG . . 3.280 2.555 1.977 3.331 0.051 17 0 "[ . 1 . 2]" 1
45 1 21 GLU HB3 1 22 LYS H . . 4.550 4.221 2.675 4.706 0.156 10 0 "[ . 1 . 2]" 1
46 1 22 LYS H 1 22 LYS QB . . 3.660 2.237 1.983 2.822 . 0 0 "[ . 1 . 2]" 1
47 1 22 LYS H 1 22 LYS HG2 . . 4.370 4.044 2.066 4.886 0.516 20 1 "[ . 1 . +]" 1
48 1 22 LYS H 1 22 LYS HG3 . . 4.890 3.992 3.323 4.485 . 0 0 "[ . 1 . 2]" 1
49 1 22 LYS HA 1 22 LYS QD . . 4.720 3.631 2.536 4.467 . 0 0 "[ . 1 . 2]" 1
50 1 22 LYS HA 1 22 LYS HG2 . . 3.700 3.046 1.990 3.868 0.168 8 0 "[ . 1 . 2]" 1
51 1 22 LYS HA 1 22 LYS HG3 . . 4.250 2.709 2.000 4.121 . 0 0 "[ . 1 . 2]" 1
52 1 22 LYS HA 1 23 LEU H . . 3.180 2.575 2.245 2.939 . 0 0 "[ . 1 . 2]" 1
53 1 22 LYS QB 1 23 LEU H . . 3.360 2.702 1.953 3.257 . 0 0 "[ . 1 . 2]" 1
54 1 23 LEU H 1 23 LEU HB2 . . 3.130 2.730 1.986 3.203 0.073 5 0 "[ . 1 . 2]" 1
55 1 23 LEU H 1 23 LEU HB3 . . 4.180 3.735 3.102 4.041 . 0 0 "[ . 1 . 2]" 1
56 1 23 LEU H 1 23 LEU MD1 . . 4.670 3.472 2.028 4.188 . 0 0 "[ . 1 . 2]" 1
57 1 23 LEU H 1 23 LEU HG . . 4.110 3.778 3.220 4.066 . 0 0 "[ . 1 . 2]" 1
58 1 23 LEU HA 1 23 LEU HB3 . . 3.020 2.739 2.577 2.904 . 0 0 "[ . 1 . 2]" 1
59 1 23 LEU HA 1 23 LEU MD1 . . 3.070 3.348 2.396 3.714 0.644 7 9 "[ - . +* ** **. * *]" 1
60 1 23 LEU HA 1 23 LEU HG . . 3.130 2.229 2.089 2.463 . 0 0 "[ . 1 . 2]" 1
61 1 23 LEU HA 1 24 PRO HD2 . . 2.870 2.789 2.665 2.935 0.065 19 0 "[ . 1 . 2]" 1
62 1 23 LEU HA 1 24 PRO HD3 . . 3.060 2.039 1.969 2.136 . 0 0 "[ . 1 . 2]" 1
63 1 23 LEU HA 1 24 PRO QG . . 4.110 3.978 3.914 4.063 . 0 0 "[ . 1 . 2]" 1
64 1 23 LEU HB2 1 23 LEU MD1 . . 3.650 2.092 1.970 2.364 . 0 0 "[ . 1 . 2]" 1
65 1 23 LEU HB2 1 24 PRO HD2 . . 4.460 3.842 3.671 4.082 . 0 0 "[ . 1 . 2]" 1
66 1 23 LEU HB2 1 24 PRO HD3 . . 5.120 4.379 4.212 4.504 . 0 0 "[ . 1 . 2]" 1
67 1 23 LEU HB3 1 23 LEU MD1 . . 3.630 2.930 2.717 3.218 . 0 0 "[ . 1 . 2]" 1
68 1 23 LEU HB3 1 24 PRO HD2 . . 3.470 2.356 2.004 2.978 . 0 0 "[ . 1 . 2]" 1
69 1 23 LEU HB3 1 24 PRO HD3 . . 4.060 3.379 3.079 3.880 . 0 0 "[ . 1 . 2]" 1
70 1 23 LEU MD1 1 24 PRO HD2 . . 3.800 4.052 3.647 4.556 0.756 17 4 "[ -* . 1 *. + 2]" 1
71 1 23 LEU MD1 1 24 PRO HD3 . . 4.130 4.389 3.695 4.907 0.777 17 5 "[ -* . * *. + 2]" 1
72 1 23 LEU HG 1 24 PRO HD2 . . 3.710 3.128 2.005 3.831 0.121 10 0 "[ . 1 . 2]" 1
73 1 24 PRO HA 1 25 MET H . . 3.190 2.614 2.221 2.782 . 0 0 "[ . 1 . 2]" 1
74 1 24 PRO QG 1 26 THR MG . . 4.240 4.055 3.107 4.243 0.003 20 0 "[ . 1 . 2]" 1
75 1 25 MET H 1 25 MET QG . . 3.850 3.240 2.489 3.741 . 0 0 "[ . 1 . 2]" 1
76 1 25 MET HA 1 25 MET QG . . 3.660 2.155 1.994 2.345 . 0 0 "[ . 1 . 2]" 1
77 1 25 MET HA 1 26 THR MG . . 5.500 3.756 3.128 4.129 . 0 0 "[ . 1 . 2]" 1
78 1 25 MET HA 1 54 PHE QE . . 4.230 2.642 2.157 3.029 . 0 0 "[ . 1 . 2]" 1
79 1 25 MET HA 1 54 PHE HZ . . 4.730 2.693 1.997 3.232 . 0 0 "[ . 1 . 2]" 1
80 1 25 MET HB2 1 26 THR H . . 5.070 4.625 4.368 4.745 . 0 0 "[ . 1 . 2]" 1
81 1 25 MET ME 1 50 ASP QB . . 4.000 2.225 1.680 3.359 . 0 0 "[ . 1 . 2]" 1
82 1 25 MET ME 1 51 TYR HA . . 4.330 2.467 1.898 3.208 . 0 0 "[ . 1 . 2]" 1
83 1 25 MET ME 1 51 TYR HB2 . . 4.250 3.683 2.834 4.244 . 0 0 "[ . 1 . 2]" 1
84 1 25 MET ME 1 51 TYR QD . . 4.420 3.467 2.420 4.421 0.001 3 0 "[ . 1 . 2]" 1
85 1 25 MET QG 1 27 LEU H . . 4.970 3.906 2.877 4.616 . 0 0 "[ . 1 . 2]" 1
86 1 25 MET QG 1 51 TYR HA . . 4.730 3.642 2.975 4.564 . 0 0 "[ . 1 . 2]" 1
87 1 25 MET QG 1 51 TYR QD . . 3.850 3.696 2.653 3.858 0.008 15 0 "[ . 1 . 2]" 1
88 1 25 MET QG 1 51 TYR QE . . 4.300 3.945 3.172 4.302 0.002 17 0 "[ . 1 . 2]" 1
89 1 25 MET QG 1 54 PHE QB . . 4.340 3.304 2.936 3.818 . 0 0 "[ . 1 . 2]" 1
90 1 25 MET QG 1 54 PHE QD . . 4.260 2.789 2.388 3.212 . 0 0 "[ . 1 . 2]" 1
91 1 26 THR H 1 27 LEU H . . 4.760 2.271 1.899 2.928 . 0 0 "[ . 1 . 2]" 1
92 1 26 THR H 1 54 PHE HZ . . 5.300 2.437 1.950 2.908 . 0 0 "[ . 1 . 2]" 1
93 1 26 THR HA 1 26 THR MG . . 3.310 2.393 2.228 2.613 . 0 0 "[ . 1 . 2]" 1
94 1 26 THR HA 1 27 LEU MD2 . . 5.220 4.611 4.180 5.127 . 0 0 "[ . 1 . 2]" 1
95 1 26 THR HA 1 27 LEU HG . . 4.750 4.682 4.376 4.754 0.004 7 0 "[ . 1 . 2]" 1
96 1 26 THR HA 1 54 PHE QE . . 5.280 5.080 4.771 5.280 0.000 18 0 "[ . 1 . 2]" 1
97 1 26 THR HA 1 54 PHE HZ . . 5.500 5.123 4.644 5.504 0.004 6 0 "[ . 1 . 2]" 1
98 1 26 THR HB 1 27 LEU H . . 4.770 3.850 3.383 4.585 . 0 0 "[ . 1 . 2]" 1
99 1 26 THR HB 1 27 LEU MD2 . . 4.790 3.462 2.896 4.222 . 0 0 "[ . 1 . 2]" 1
100 1 26 THR HB 1 27 LEU HG . . 4.800 3.631 3.124 4.335 . 0 0 "[ . 1 . 2]" 1
101 1 26 THR MG 1 27 LEU H . . 5.430 3.923 3.547 4.417 . 0 0 "[ . 1 . 2]" 1
102 1 26 THR MG 1 54 PHE HZ . . 5.120 3.286 2.031 4.950 . 0 0 "[ . 1 . 2]" 1
103 1 27 LEU H 1 27 LEU MD1 . . 5.230 3.600 3.223 4.324 . 0 0 "[ . 1 . 2]" 1
104 1 27 LEU H 1 27 LEU HG . . 4.460 2.386 2.065 3.365 . 0 0 "[ . 1 . 2]" 1
105 1 27 LEU H 1 28 SER H . . 5.310 4.404 3.911 4.581 . 0 0 "[ . 1 . 2]" 1
106 1 27 LEU H 1 54 PHE QE . . 4.780 2.284 1.949 3.442 . 0 0 "[ . 1 . 2]" 1
107 1 27 LEU HA 1 27 LEU MD2 . . 3.230 2.418 1.972 2.627 . 0 0 "[ . 1 . 2]" 1
108 1 27 LEU HA 1 28 SER H . . 3.220 2.211 2.177 2.289 . 0 0 "[ . 1 . 2]" 1
109 1 27 LEU HA 1 31 GLU HB2 . . 5.030 3.573 3.234 3.880 . 0 0 "[ . 1 . 2]" 1
110 1 27 LEU HA 1 32 VAL MG2 . . 4.170 4.115 3.750 4.184 0.014 15 0 "[ . 1 . 2]" 1
111 1 27 LEU HB2 1 27 LEU MD1 . . 3.360 2.192 2.049 2.358 . 0 0 "[ . 1 . 2]" 1
112 1 27 LEU HB2 1 28 SER H . . 4.650 4.070 3.748 4.452 . 0 0 "[ . 1 . 2]" 1
113 1 27 LEU HB2 1 31 GLU HB2 . . 4.880 4.934 4.721 5.270 0.390 6 0 "[ . 1 . 2]" 1
114 1 27 LEU HB2 1 31 GLU HB3 . . 5.500 3.281 3.042 3.690 . 0 0 "[ . 1 . 2]" 1
115 1 27 LEU HB2 1 32 VAL HA . . 4.700 4.216 3.938 4.707 0.007 6 0 "[ . 1 . 2]" 1
116 1 27 LEU HB2 1 32 VAL MG2 . . 3.590 2.108 1.942 2.468 . 0 0 "[ . 1 . 2]" 1
117 1 27 LEU HB2 1 54 PHE QD . . 4.180 2.589 2.222 3.105 . 0 0 "[ . 1 . 2]" 1
118 1 27 LEU HB2 1 54 PHE QE . . 4.450 2.773 1.999 3.212 . 0 0 "[ . 1 . 2]" 1
119 1 27 LEU HB3 1 27 LEU MD1 . . 3.350 2.541 2.320 2.718 . 0 0 "[ . 1 . 2]" 1
120 1 27 LEU HB3 1 27 LEU MD2 . . 3.550 2.239 2.155 2.406 . 0 0 "[ . 1 . 2]" 1
121 1 27 LEU HB3 1 28 SER H . . 4.150 3.359 3.005 3.729 . 0 0 "[ . 1 . 2]" 1
122 1 27 LEU HB3 1 31 GLU HB2 . . 4.200 3.560 3.405 3.860 . 0 0 "[ . 1 . 2]" 1
123 1 27 LEU HB3 1 31 GLU HB3 . . 4.090 2.061 1.998 2.282 . 0 0 "[ . 1 . 2]" 1
124 1 27 LEU HB3 1 31 GLU HG2 . . 4.910 2.545 2.001 3.462 . 0 0 "[ . 1 . 2]" 1
125 1 27 LEU HB3 1 31 GLU HG3 . . 4.940 2.621 2.011 3.708 . 0 0 "[ . 1 . 2]" 1
126 1 27 LEU HB3 1 32 VAL H . . 4.830 4.275 3.813 4.440 . 0 0 "[ . 1 . 2]" 1
127 1 27 LEU HB3 1 32 VAL MG2 . . 3.770 2.663 2.100 2.956 . 0 0 "[ . 1 . 2]" 1
128 1 27 LEU HB3 1 54 PHE QD . . 4.790 4.223 3.472 4.766 . 0 0 "[ . 1 . 2]" 1
129 1 27 LEU HB3 1 54 PHE QE . . 5.070 4.264 3.537 4.703 . 0 0 "[ . 1 . 2]" 1
130 1 27 LEU MD1 1 35 ARG HD3 . . 3.500 3.254 2.927 3.544 0.044 11 0 "[ . 1 . 2]" 1
131 1 27 LEU MD1 1 54 PHE QE . . 4.090 2.587 1.991 3.236 . 0 0 "[ . 1 . 2]" 1
132 1 27 LEU MD1 1 57 LEU MD1 . . 2.400 2.143 1.878 2.364 . 0 0 "[ . 1 . 2]" 1
133 1 27 LEU MD2 1 28 SER H . . 4.470 4.059 3.713 4.394 . 0 0 "[ . 1 . 2]" 1
134 1 27 LEU MD2 1 31 GLU HB2 . . 4.380 4.135 3.685 4.376 . 0 0 "[ . 1 . 2]" 1
135 1 27 LEU MD2 1 31 GLU HB3 . . 4.020 3.423 2.707 3.762 . 0 0 "[ . 1 . 2]" 1
136 1 27 LEU MD2 1 31 GLU HG2 . . 3.700 2.128 1.912 2.407 . 0 0 "[ . 1 . 2]" 1
137 1 27 LEU MD2 1 31 GLU HG3 . . 3.740 2.515 1.975 3.560 . 0 0 "[ . 1 . 2]" 1
138 1 27 LEU HG 1 54 PHE QD . . 5.210 4.249 3.803 4.703 . 0 0 "[ . 1 . 2]" 1
139 1 27 LEU HG 1 54 PHE QE . . 3.970 2.566 1.999 3.028 . 0 0 "[ . 1 . 2]" 1
140 1 28 SER H 1 28 SER HB2 . . 3.630 2.513 2.026 3.611 . 0 0 "[ . 1 . 2]" 1
141 1 28 SER H 1 28 SER HB3 . . 3.690 3.315 2.659 3.601 . 0 0 "[ . 1 . 2]" 1
142 1 28 SER H 1 31 GLU H . . 5.450 3.514 3.271 3.728 . 0 0 "[ . 1 . 2]" 1
143 1 28 SER H 1 31 GLU HB2 . . 4.140 2.404 2.079 2.641 . 0 0 "[ . 1 . 2]" 1
144 1 28 SER H 1 31 GLU HB3 . . 4.200 2.288 1.992 2.669 . 0 0 "[ . 1 . 2]" 1
145 1 28 SER HA 1 29 ARG H . . 3.460 2.519 2.470 2.551 . 0 0 "[ . 1 . 2]" 1
146 1 28 SER HA 1 29 ARG HB3 . . 5.410 5.208 5.005 5.940 0.530 6 1 "[ .+ 1 . 2]" 1
147 1 28 SER HB2 1 29 ARG H . . 4.040 3.571 2.405 4.055 0.015 12 0 "[ . 1 . 2]" 1
148 1 28 SER HB2 1 30 GLN H . . 4.060 3.907 3.436 5.036 0.976 13 3 "[ . -1 + .* 2]" 1
149 1 28 SER HB2 1 31 GLU H . . 5.190 3.183 2.603 4.171 . 0 0 "[ . 1 . 2]" 1
150 1 28 SER HB3 1 29 ARG H . . 4.120 2.755 2.356 3.919 . 0 0 "[ . 1 . 2]" 1
151 1 28 SER HB3 1 31 GLU H . . 5.160 3.675 2.577 4.562 . 0 0 "[ . 1 . 2]" 1
152 1 29 ARG H 1 29 ARG HB2 . . 4.000 3.379 2.149 3.576 . 0 0 "[ . 1 . 2]" 1
153 1 29 ARG H 1 29 ARG HB3 . . 4.010 2.813 2.627 3.566 . 0 0 "[ . 1 . 2]" 1
154 1 29 ARG H 1 30 GLN H . . 4.220 3.189 3.089 3.283 . 0 0 "[ . 1 . 2]" 1
155 1 29 ARG HA 1 29 ARG HG2 . . 3.620 3.672 2.391 4.128 0.508 9 2 "[ - . +1 . 2]" 1
156 1 29 ARG HA 1 29 ARG HG3 . . 4.100 3.512 2.281 4.228 0.128 14 0 "[ . 1 . 2]" 1
157 1 29 ARG HA 1 32 VAL H . . 4.190 3.486 3.365 3.580 . 0 0 "[ . 1 . 2]" 1
158 1 29 ARG HA 1 32 VAL HB . . 3.390 2.695 2.562 2.826 . 0 0 "[ . 1 . 2]" 1
159 1 29 ARG HA 1 32 VAL MG1 . . 4.010 3.897 3.663 4.018 0.008 15 0 "[ . 1 . 2]" 1
160 1 29 ARG HA 1 32 VAL MG2 . . 4.140 3.448 3.304 3.689 . 0 0 "[ . 1 . 2]" 1
161 1 29 ARG HB2 1 29 ARG HD2 . . 3.800 2.802 2.033 3.784 . 0 0 "[ . 1 . 2]" 1
162 1 29 ARG HB2 1 30 GLN H . . 3.800 2.976 2.226 3.576 . 0 0 "[ . 1 . 2]" 1
163 1 29 ARG HB3 1 29 ARG HD2 . . 3.730 3.351 2.021 4.229 0.499 3 0 "[ . 1 . 2]" 1
164 1 29 ARG HB3 1 29 ARG HG3 . . 2.830 2.918 2.768 3.048 0.218 20 0 "[ . 1 . 2]" 1
165 1 29 ARG HB3 1 30 GLN H . . 3.840 3.646 2.110 3.888 0.048 12 0 "[ . 1 . 2]" 1
166 1 29 ARG HG2 1 30 GLN H . . 4.680 3.251 1.916 4.626 . 0 0 "[ . 1 . 2]" 1
167 1 29 ARG HG3 1 30 GLN H . . 4.090 2.341 1.912 4.683 0.593 20 1 "[ . 1 . +]" 1
168 1 30 GLN H 1 30 GLN HB2 . . 3.260 2.295 2.018 3.541 0.281 6 0 "[ . 1 . 2]" 1
169 1 30 GLN H 1 30 GLN HB3 . . 3.770 2.919 2.590 3.461 . 0 0 "[ . 1 . 2]" 1
170 1 30 GLN H 1 30 GLN HG2 . . 4.790 4.151 1.946 4.631 . 0 0 "[ . 1 . 2]" 1
171 1 30 GLN H 1 30 GLN HG3 . . 4.390 3.941 2.823 4.487 0.097 11 0 "[ . 1 . 2]" 1
172 1 30 GLN H 1 31 GLU H . . 3.800 2.868 2.733 3.052 . 0 0 "[ . 1 . 2]" 1
173 1 30 GLN HA 1 30 GLN HB3 . . 2.900 2.920 2.375 3.051 0.151 4 0 "[ . 1 . 2]" 1
174 1 30 GLN HA 1 30 GLN HG2 . . 4.240 2.911 2.004 3.565 . 0 0 "[ . 1 . 2]" 1
175 1 30 GLN HA 1 30 GLN HG3 . . 3.470 2.653 2.009 4.102 0.632 15 2 "[ .- 1 + 2]" 1
176 1 30 GLN HA 1 33 ILE H . . 4.180 2.895 2.837 2.996 . 0 0 "[ . 1 . 2]" 1
177 1 30 GLN HA 1 33 ILE HB . . 3.080 2.010 1.992 2.107 . 0 0 "[ . 1 . 2]" 1
178 1 30 GLN HA 1 33 ILE MD . . 3.440 2.372 1.987 2.733 . 0 0 "[ . 1 . 2]" 1
179 1 30 GLN HA 1 33 ILE MG . . 3.470 3.425 3.318 3.486 0.016 15 0 "[ . 1 . 2]" 1
180 1 30 GLN HA 1 34 ARG H . . 3.640 3.635 3.490 3.661 0.021 12 0 "[ . 1 . 2]" 1
181 1 30 GLN HB2 1 31 GLU H . . 4.160 3.474 2.798 3.790 . 0 0 "[ . 1 . 2]" 1
182 1 30 GLN HB3 1 31 GLU H . . 4.250 2.765 2.249 4.127 . 0 0 "[ . 1 . 2]" 1
183 1 31 GLU H 1 31 GLU HB2 . . 3.200 2.218 2.084 2.302 . 0 0 "[ . 1 . 2]" 1
184 1 31 GLU H 1 31 GLU HB3 . . 3.300 2.773 2.661 2.987 . 0 0 "[ . 1 . 2]" 1
185 1 31 GLU H 1 31 GLU HG2 . . 4.630 4.556 4.451 4.614 . 0 0 "[ . 1 . 2]" 1
186 1 31 GLU H 1 31 GLU HG3 . . 4.630 4.459 4.160 4.510 . 0 0 "[ . 1 . 2]" 1
187 1 31 GLU H 1 32 VAL H . . 3.470 2.716 2.589 2.840 . 0 0 "[ . 1 . 2]" 1
188 1 31 GLU HA 1 31 GLU HG2 . . 4.170 3.641 3.123 3.716 . 0 0 "[ . 1 . 2]" 1
189 1 31 GLU HA 1 31 GLU HG3 . . 4.030 2.780 2.199 2.944 . 0 0 "[ . 1 . 2]" 1
190 1 31 GLU HA 1 34 ARG H . . 3.670 3.665 3.595 3.704 0.034 14 0 "[ . 1 . 2]" 1
191 1 31 GLU HA 1 34 ARG QB . . 3.050 2.885 2.771 3.036 . 0 0 "[ . 1 . 2]" 1
192 1 31 GLU HA 1 34 ARG QD . . 5.400 3.611 2.560 4.820 . 0 0 "[ . 1 . 2]" 1
193 1 31 GLU HA 1 35 ARG H . . 4.830 4.551 4.308 4.714 . 0 0 "[ . 1 . 2]" 1
194 1 31 GLU HB2 1 32 VAL H . . 4.670 3.958 3.768 4.056 . 0 0 "[ . 1 . 2]" 1
195 1 31 GLU HB3 1 32 VAL H . . 3.760 3.119 3.051 3.180 . 0 0 "[ . 1 . 2]" 1
196 1 31 GLU HG3 1 35 ARG HD2 . . 4.920 3.433 3.016 4.378 . 0 0 "[ . 1 . 2]" 1
197 1 31 GLU HG3 1 35 ARG HD3 . . 4.480 4.464 3.884 5.136 0.656 14 1 "[ . 1 +. 2]" 1
198 1 32 VAL H 1 32 VAL HB . . 3.110 2.272 2.181 2.340 . 0 0 "[ . 1 . 2]" 1
199 1 32 VAL H 1 32 VAL MG1 . . 3.920 3.661 3.569 3.709 . 0 0 "[ . 1 . 2]" 1
200 1 32 VAL H 1 32 VAL MG2 . . 3.280 2.685 2.464 2.906 . 0 0 "[ . 1 . 2]" 1
201 1 32 VAL H 1 33 ILE H . . 3.600 2.160 2.126 2.244 . 0 0 "[ . 1 . 2]" 1
202 1 32 VAL H 1 33 ILE HB . . 4.130 4.142 4.111 4.182 0.052 11 0 "[ . 1 . 2]" 1
203 1 32 VAL HA 1 32 VAL MG1 . . 2.900 2.536 2.496 2.630 . 0 0 "[ . 1 . 2]" 1
204 1 32 VAL HA 1 32 VAL MG2 . . 3.200 2.307 2.098 2.394 . 0 0 "[ . 1 . 2]" 1
205 1 32 VAL HA 1 35 ARG H . . 4.560 3.951 3.793 4.094 . 0 0 "[ . 1 . 2]" 1
206 1 32 VAL HA 1 35 ARG QB . . 3.400 3.405 3.340 3.424 0.024 6 0 "[ . 1 . 2]" 1
207 1 32 VAL HA 1 35 ARG HD3 . . 5.030 3.574 3.041 4.074 . 0 0 "[ . 1 . 2]" 1
208 1 32 VAL HA 1 36 LEU H . . 4.600 3.977 3.820 4.133 . 0 0 "[ . 1 . 2]" 1
209 1 32 VAL HA 1 57 LEU HB3 . . 3.580 3.561 3.410 3.593 0.013 2 0 "[ . 1 . 2]" 1
210 1 32 VAL HA 1 57 LEU MD1 . . 2.900 2.455 2.251 2.664 . 0 0 "[ . 1 . 2]" 1
211 1 32 VAL HA 1 57 LEU MD2 . . 5.070 4.175 3.998 4.421 . 0 0 "[ . 1 . 2]" 1
212 1 32 VAL HA 1 57 LEU HG . . 4.320 2.609 2.441 2.876 . 0 0 "[ . 1 . 2]" 1
213 1 32 VAL HB 1 33 ILE H . . 3.700 2.950 2.864 3.086 . 0 0 "[ . 1 . 2]" 1
214 1 32 VAL HB 1 54 PHE QB . . 4.780 4.183 3.908 4.513 . 0 0 "[ . 1 . 2]" 1
215 1 32 VAL HB 1 57 LEU MD1 . . 4.750 4.617 4.290 4.760 0.010 9 0 "[ . 1 . 2]" 1
216 1 32 VAL MG1 1 53 ALA MB . . 3.150 2.704 2.373 3.030 . 0 0 "[ . 1 . 2]" 1
217 1 32 VAL MG1 1 54 PHE H . . 4.570 3.553 3.044 3.844 . 0 0 "[ . 1 . 2]" 1
218 1 32 VAL MG1 1 54 PHE HA . . 3.390 1.949 1.847 1.994 . 0 0 "[ . 1 . 2]" 1
219 1 32 VAL MG1 1 54 PHE QB . . 4.320 3.534 3.199 3.692 . 0 0 "[ . 1 . 2]" 1
220 1 32 VAL MG1 1 54 PHE QD . . 4.070 3.642 3.346 3.895 . 0 0 "[ . 1 . 2]" 1
221 1 32 VAL MG1 1 57 LEU H . . 3.660 3.038 2.820 3.259 . 0 0 "[ . 1 . 2]" 1
222 1 32 VAL MG1 1 57 LEU HB2 . . 3.300 2.347 2.080 2.697 . 0 0 "[ . 1 . 2]" 1
223 1 32 VAL MG1 1 57 LEU HB3 . . 3.410 1.953 1.903 2.082 . 0 0 "[ . 1 . 2]" 1
224 1 32 VAL MG1 1 58 ARG H . . 4.260 3.809 3.653 4.075 . 0 0 "[ . 1 . 2]" 1
225 1 32 VAL MG2 1 33 ILE H . . 4.930 4.096 4.002 4.208 . 0 0 "[ . 1 . 2]" 1
226 1 32 VAL MG2 1 54 PHE H . . 5.260 4.025 3.706 4.372 . 0 0 "[ . 1 . 2]" 1
227 1 32 VAL MG2 1 54 PHE HA . . 3.750 1.980 1.815 2.233 . 0 0 "[ . 1 . 2]" 1
228 1 32 VAL MG2 1 54 PHE QB . . 3.750 2.536 2.104 3.036 . 0 0 "[ . 1 . 2]" 1
229 1 32 VAL MG2 1 54 PHE QD . . 3.560 1.939 1.815 2.138 . 0 0 "[ . 1 . 2]" 1
230 1 32 VAL MG2 1 54 PHE QE . . 4.990 3.631 3.412 3.872 . 0 0 "[ . 1 . 2]" 1
231 1 32 VAL MG2 1 57 LEU HB3 . . 4.230 2.708 2.240 3.151 . 0 0 "[ . 1 . 2]" 1
232 1 32 VAL MG2 1 57 LEU MD1 . . 3.000 2.525 2.103 2.837 . 0 0 "[ . 1 . 2]" 1
233 1 33 ILE H 1 33 ILE HB . . 3.200 2.234 2.177 2.276 . 0 0 "[ . 1 . 2]" 1
234 1 33 ILE H 1 33 ILE MD . . 3.540 3.343 2.897 3.553 0.013 15 0 "[ . 1 . 2]" 1
235 1 33 ILE H 1 33 ILE HG12 . . 4.280 3.815 3.658 4.107 . 0 0 "[ . 1 . 2]" 1
236 1 33 ILE H 1 33 ILE HG13 . . 3.030 2.516 2.390 2.888 . 0 0 "[ . 1 . 2]" 1
237 1 33 ILE H 1 33 ILE MG . . 3.620 3.651 3.617 3.673 0.053 19 0 "[ . 1 . 2]" 1
238 1 33 ILE H 1 34 ARG H . . 3.540 2.534 2.420 2.622 . 0 0 "[ . 1 . 2]" 1
239 1 33 ILE HA 1 33 ILE MD . . 4.240 3.794 3.701 3.816 . 0 0 "[ . 1 . 2]" 1
240 1 33 ILE HA 1 33 ILE HG12 . . 3.770 2.599 2.464 2.945 . 0 0 "[ . 1 . 2]" 1
241 1 33 ILE HA 1 33 ILE HG13 . . 3.120 2.636 2.297 2.813 . 0 0 "[ . 1 . 2]" 1
242 1 33 ILE HA 1 33 ILE MG . . 2.830 2.525 2.498 2.579 . 0 0 "[ . 1 . 2]" 1
243 1 33 ILE HA 1 36 LEU H . . 4.160 3.969 3.740 4.129 . 0 0 "[ . 1 . 2]" 1
244 1 33 ILE HA 1 36 LEU HB2 . . 3.250 2.522 2.333 2.671 . 0 0 "[ . 1 . 2]" 1
245 1 33 ILE HA 1 36 LEU HB3 . . 4.180 4.035 3.856 4.184 0.004 10 0 "[ . 1 . 2]" 1
246 1 33 ILE HA 1 37 ARG H . . 4.310 3.538 3.361 3.801 . 0 0 "[ . 1 . 2]" 1
247 1 33 ILE HA 1 37 ARG QB . . 5.070 4.523 4.464 4.712 . 0 0 "[ . 1 . 2]" 1
248 1 33 ILE HA 1 43 ILE HA . . 4.450 3.469 3.207 3.659 . 0 0 "[ . 1 . 2]" 1
249 1 33 ILE HA 1 43 ILE HB . . 4.670 3.673 3.057 4.094 . 0 0 "[ . 1 . 2]" 1
250 1 33 ILE HA 1 43 ILE MG . . 3.000 2.408 1.999 2.735 . 0 0 "[ . 1 . 2]" 1
251 1 33 ILE HB 1 33 ILE MD . . 2.740 2.254 1.937 2.378 . 0 0 "[ . 1 . 2]" 1
252 1 33 ILE HB 1 34 ARG H . . 2.880 2.862 2.761 2.890 0.010 19 0 "[ . 1 . 2]" 1
253 1 33 ILE HG12 1 43 ILE HB . . 3.520 1.998 1.994 2.009 . 0 0 "[ . 1 . 2]" 1
254 1 33 ILE HG13 1 34 ARG H . . 5.110 4.585 4.517 4.696 . 0 0 "[ . 1 . 2]" 1
255 1 33 ILE MG 1 34 ARG H . . 3.610 3.395 3.199 3.518 . 0 0 "[ . 1 . 2]" 1
256 1 33 ILE MG 1 34 ARG HA . . 4.450 3.426 3.279 3.524 . 0 0 "[ . 1 . 2]" 1
257 1 33 ILE MG 1 37 ARG H . . 4.160 3.491 3.259 3.774 . 0 0 "[ . 1 . 2]" 1
258 1 33 ILE MG 1 37 ARG QB . . 3.600 3.150 3.004 3.363 . 0 0 "[ . 1 . 2]" 1
259 1 33 ILE MG 1 37 ARG QD . . 3.600 2.819 1.803 3.349 . 0 0 "[ . 1 . 2]" 1
260 1 33 ILE MG 1 37 ARG HG3 . . 3.730 2.026 1.956 2.484 . 0 0 "[ . 1 . 2]" 1
261 1 33 ILE MG 1 43 ILE HB . . 2.940 2.939 2.883 2.951 0.011 15 0 "[ . 1 . 2]" 1
262 1 34 ARG H 1 34 ARG QB . . 2.760 2.101 2.004 2.206 . 0 0 "[ . 1 . 2]" 1
263 1 34 ARG H 1 34 ARG HG2 . . 4.550 4.307 3.254 4.620 0.070 3 0 "[ . 1 . 2]" 1
264 1 34 ARG H 1 34 ARG HG3 . . 4.840 3.829 2.719 4.560 . 0 0 "[ . 1 . 2]" 1
265 1 34 ARG H 1 35 ARG H . . 3.350 3.134 3.044 3.211 . 0 0 "[ . 1 . 2]" 1
266 1 34 ARG HA 1 34 ARG HG2 . . 3.600 2.761 2.045 3.598 . 0 0 "[ . 1 . 2]" 1
267 1 34 ARG HA 1 34 ARG HG3 . . 3.740 2.567 2.023 3.558 . 0 0 "[ . 1 . 2]" 1
268 1 34 ARG HA 1 37 ARG H . . 4.650 3.943 3.720 4.187 . 0 0 "[ . 1 . 2]" 1
269 1 34 ARG HA 1 37 ARG QB . . 3.600 2.816 2.621 3.049 . 0 0 "[ . 1 . 2]" 1
270 1 34 ARG HA 1 37 ARG QD . . 4.240 3.930 2.888 4.249 0.009 18 0 "[ . 1 . 2]" 1
271 1 34 ARG HA 1 38 GLU H . . 4.680 4.087 3.859 4.447 . 0 0 "[ . 1 . 2]" 1
272 1 34 ARG QB 1 34 ARG QD . . 3.390 2.110 1.967 2.187 . 0 0 "[ . 1 . 2]" 1
273 1 34 ARG QB 1 35 ARG H . . 3.090 2.032 1.930 2.225 . 0 0 "[ . 1 . 2]" 1
274 1 34 ARG HG3 1 35 ARG H . . 5.330 4.540 4.163 4.784 . 0 0 "[ . 1 . 2]" 1
275 1 35 ARG H 1 35 ARG QB . . 2.800 2.374 2.310 2.458 . 0 0 "[ . 1 . 2]" 1
276 1 35 ARG H 1 35 ARG HD2 . . 5.110 2.584 1.938 3.107 . 0 0 "[ . 1 . 2]" 1
277 1 35 ARG H 1 35 ARG HD3 . . 4.630 3.651 3.105 4.127 . 0 0 "[ . 1 . 2]" 1
278 1 35 ARG H 1 35 ARG HG3 . . 3.800 2.564 2.121 2.858 . 0 0 "[ . 1 . 2]" 1
279 1 35 ARG H 1 36 LEU H . . 3.630 3.085 2.947 3.187 . 0 0 "[ . 1 . 2]" 1
280 1 35 ARG H 1 57 LEU MD1 . . 4.430 4.414 4.295 4.471 0.041 13 0 "[ . 1 . 2]" 1
281 1 35 ARG HA 1 35 ARG HD2 . . 4.540 4.128 3.704 4.520 . 0 0 "[ . 1 . 2]" 1
282 1 35 ARG HA 1 35 ARG HD3 . . 4.890 4.523 4.411 4.603 . 0 0 "[ . 1 . 2]" 1
283 1 35 ARG HA 1 35 ARG HG2 . . 3.030 3.081 2.832 3.363 0.333 14 0 "[ . 1 . 2]" 1
284 1 35 ARG HA 1 35 ARG HG3 . . 3.720 2.298 2.205 2.573 . 0 0 "[ . 1 . 2]" 1
285 1 35 ARG HA 1 38 GLU H . . 3.550 3.466 3.239 3.557 0.007 8 0 "[ . 1 . 2]" 1
286 1 35 ARG HA 1 38 GLU QB . . 3.370 2.539 2.347 3.319 . 0 0 "[ . 1 . 2]" 1
287 1 35 ARG HA 1 38 GLU HG3 . . 4.310 3.984 3.378 4.307 . 0 0 "[ . 1 . 2]" 1
288 1 35 ARG HA 1 57 LEU MD2 . . 4.630 4.285 4.096 4.533 . 0 0 "[ . 1 . 2]" 1
289 1 35 ARG QB 1 35 ARG HD2 . . 3.270 2.586 2.417 2.728 . 0 0 "[ . 1 . 2]" 1
290 1 35 ARG QB 1 35 ARG HD3 . . 3.350 2.241 2.132 2.375 . 0 0 "[ . 1 . 2]" 1
291 1 35 ARG QB 1 36 LEU H . . 3.920 2.185 2.126 2.234 . 0 0 "[ . 1 . 2]" 1
292 1 35 ARG QB 1 57 LEU MD1 . . 3.210 2.828 2.669 2.940 . 0 0 "[ . 1 . 2]" 1
293 1 35 ARG QB 1 57 LEU MD2 . . 3.070 1.969 1.824 2.189 . 0 0 "[ . 1 . 2]" 1
294 1 35 ARG HD2 1 36 LEU H . . 4.580 4.528 4.325 4.607 0.027 2 0 "[ . 1 . 2]" 1
295 1 35 ARG HD2 1 57 LEU MD1 . . 3.670 3.001 2.250 3.527 . 0 0 "[ . 1 . 2]" 1
296 1 35 ARG HD2 1 57 LEU MD2 . . 4.390 3.986 3.626 4.426 0.036 13 0 "[ . 1 . 2]" 1
297 1 35 ARG HD3 1 36 LEU H . . 4.430 4.442 4.250 4.606 0.176 9 0 "[ . 1 . 2]" 1
298 1 35 ARG HD3 1 57 LEU MD1 . . 3.490 1.967 1.832 2.104 . 0 0 "[ . 1 . 2]" 1
299 1 35 ARG HD3 1 57 LEU MD2 . . 4.190 2.694 2.347 3.352 . 0 0 "[ . 1 . 2]" 1
300 1 35 ARG HG2 1 57 LEU MD1 . . 4.320 3.856 3.236 4.253 . 0 0 "[ . 1 . 2]" 1
301 1 35 ARG HG2 1 57 LEU MD2 . . 5.470 3.201 2.791 3.776 . 0 0 "[ . 1 . 2]" 1
302 1 36 LEU H 1 36 LEU HB2 . . 2.950 2.474 2.398 2.537 . 0 0 "[ . 1 . 2]" 1
303 1 36 LEU H 1 36 LEU HB3 . . 3.710 3.547 3.539 3.550 . 0 0 "[ . 1 . 2]" 1
304 1 36 LEU H 1 36 LEU MD1 . . 3.870 3.557 3.386 3.777 . 0 0 "[ . 1 . 2]" 1
305 1 36 LEU H 1 36 LEU MD2 . . 4.570 3.206 2.979 3.361 . 0 0 "[ . 1 . 2]" 1
306 1 36 LEU H 1 36 LEU HG . . 2.960 2.180 2.050 2.350 . 0 0 "[ . 1 . 2]" 1
307 1 36 LEU H 1 57 LEU MD1 . . 4.230 4.224 4.137 4.260 0.030 8 0 "[ . 1 . 2]" 1
308 1 36 LEU H 1 57 LEU MD2 . . 4.280 2.994 2.800 3.191 . 0 0 "[ . 1 . 2]" 1
309 1 36 LEU H 1 57 LEU HG . . 4.960 2.775 2.684 2.844 . 0 0 "[ . 1 . 2]" 1
310 1 36 LEU HA 1 36 LEU MD1 . . 3.920 3.844 3.759 3.892 . 0 0 "[ . 1 . 2]" 1
311 1 36 LEU HA 1 36 LEU MD2 . . 3.080 2.063 1.924 2.214 . 0 0 "[ . 1 . 2]" 1
312 1 36 LEU HA 1 39 ARG H . . 4.390 3.397 3.131 3.597 . 0 0 "[ . 1 . 2]" 1
313 1 36 LEU HA 1 39 ARG HB2 . . 4.280 2.458 2.143 2.719 . 0 0 "[ . 1 . 2]" 1
314 1 36 LEU HA 1 39 ARG HB3 . . 4.270 4.029 3.680 4.273 0.003 19 0 "[ . 1 . 2]" 1
315 1 36 LEU HA 1 39 ARG HD2 . . 4.670 4.501 4.247 4.677 0.007 20 0 "[ . 1 . 2]" 1
316 1 36 LEU HA 1 39 ARG HD3 . . 5.500 4.953 4.600 5.269 . 0 0 "[ . 1 . 2]" 1
317 1 36 LEU HA 1 39 ARG QG . . 3.190 2.629 2.287 2.926 . 0 0 "[ . 1 . 2]" 1
318 1 36 LEU HA 1 41 GLU HB2 . . 3.720 2.693 2.239 3.341 . 0 0 "[ . 1 . 2]" 1
319 1 36 LEU HA 1 41 GLU QG . . 3.900 2.757 2.206 3.032 . 0 0 "[ . 1 . 2]" 1
320 1 36 LEU HA 1 57 LEU MD2 . . 3.240 3.120 2.928 3.246 0.006 2 0 "[ . 1 . 2]" 1
321 1 36 LEU HB2 1 36 LEU MD1 . . 3.290 2.319 2.257 2.473 . 0 0 "[ . 1 . 2]" 1
322 1 36 LEU HB2 1 36 LEU MD2 . . 3.330 3.217 3.208 3.222 . 0 0 "[ . 1 . 2]" 1
323 1 36 LEU HB2 1 37 ARG H . . 3.330 2.462 2.250 2.719 . 0 0 "[ . 1 . 2]" 1
324 1 36 LEU HB2 1 41 GLU HB2 . . 4.450 3.957 3.645 4.425 . 0 0 "[ . 1 . 2]" 1
325 1 36 LEU HB2 1 43 ILE HA . . 4.120 3.421 3.072 3.638 . 0 0 "[ . 1 . 2]" 1
326 1 36 LEU HB2 1 43 ILE MG . . 3.640 3.088 2.686 3.411 . 0 0 "[ . 1 . 2]" 1
327 1 36 LEU HB3 1 36 LEU MD1 . . 3.340 2.410 2.178 2.481 . 0 0 "[ . 1 . 2]" 1
328 1 36 LEU HB3 1 36 LEU MD2 . . 3.430 2.360 2.261 2.503 . 0 0 "[ . 1 . 2]" 1
329 1 36 LEU HB3 1 37 ARG H . . 3.830 3.348 3.067 3.622 . 0 0 "[ . 1 . 2]" 1
330 1 36 LEU HB3 1 41 GLU H . . 5.500 3.834 3.430 4.217 . 0 0 "[ . 1 . 2]" 1
331 1 36 LEU HB3 1 41 GLU HB2 . . 4.070 2.310 2.023 2.780 . 0 0 "[ . 1 . 2]" 1
332 1 36 LEU HB3 1 41 GLU HB3 . . 4.860 3.770 3.248 4.351 . 0 0 "[ . 1 . 2]" 1
333 1 36 LEU HB3 1 43 ILE HA . . 3.850 3.316 2.871 3.654 . 0 0 "[ . 1 . 2]" 1
334 1 36 LEU HB3 1 43 ILE MG . . 3.670 3.499 2.972 3.679 0.009 20 0 "[ . 1 . 2]" 1
335 1 36 LEU MD1 1 43 ILE HA . . 3.080 2.496 2.140 2.842 . 0 0 "[ . 1 . 2]" 1
336 1 36 LEU MD2 1 37 ARG H . . 5.500 4.673 4.535 4.772 . 0 0 "[ . 1 . 2]" 1
337 1 36 LEU MD2 1 39 ARG HD2 . . 4.710 4.344 4.075 4.712 0.002 3 0 "[ . 1 . 2]" 1
338 1 36 LEU MD2 1 41 GLU H . . 4.950 4.071 3.930 4.196 . 0 0 "[ . 1 . 2]" 1
339 1 36 LEU MD2 1 41 GLU HA . . 5.500 4.516 4.231 4.817 . 0 0 "[ . 1 . 2]" 1
340 1 36 LEU MD2 1 41 GLU HB2 . . 3.380 1.978 1.923 2.140 . 0 0 "[ . 1 . 2]" 1
341 1 36 LEU MD2 1 41 GLU HB3 . . 3.750 2.642 2.185 3.135 . 0 0 "[ . 1 . 2]" 1
342 1 36 LEU MD2 1 41 GLU QG . . 3.430 2.527 2.049 3.009 . 0 0 "[ . 1 . 2]" 1
343 1 36 LEU MD2 1 43 ILE HA . . 5.420 4.503 4.120 4.828 . 0 0 "[ . 1 . 2]" 1
344 1 36 LEU MD2 1 56 ARG HG2 . . 4.560 3.438 3.051 3.675 . 0 0 "[ . 1 . 2]" 1
345 1 36 LEU MD2 1 57 LEU H . . 4.160 3.124 2.911 3.310 . 0 0 "[ . 1 . 2]" 1
346 1 36 LEU MD2 1 57 LEU HA . . 3.160 2.424 2.216 2.691 . 0 0 "[ . 1 . 2]" 1
347 1 36 LEU MD2 1 57 LEU HB2 . . 3.240 1.948 1.911 2.040 . 0 0 "[ . 1 . 2]" 1
348 1 36 LEU MD2 1 57 LEU HB3 . . 4.020 3.415 3.319 3.527 . 0 0 "[ . 1 . 2]" 1
349 1 36 LEU MD2 1 57 LEU HG . . 4.210 3.266 3.118 3.418 . 0 0 "[ . 1 . 2]" 1
350 1 36 LEU HG 1 57 LEU HA . . 5.000 3.920 3.797 4.065 . 0 0 "[ . 1 . 2]" 1
351 1 36 LEU HG 1 57 LEU HB2 . . 3.690 1.995 1.988 1.999 . 0 0 "[ . 1 . 2]" 1
352 1 36 LEU HG 1 57 LEU MD2 . . 3.260 2.748 2.534 2.982 . 0 0 "[ . 1 . 2]" 1
353 1 37 ARG H 1 37 ARG QB . . 2.960 2.150 2.057 2.245 . 0 0 "[ . 1 . 2]" 1
354 1 37 ARG H 1 37 ARG QD . . 5.500 4.285 3.742 4.468 . 0 0 "[ . 1 . 2]" 1
355 1 37 ARG H 1 37 ARG HG2 . . 3.530 3.579 3.403 4.190 0.660 1 1 "[+ . 1 . 2]" 1
356 1 37 ARG H 1 37 ARG HG3 . . 4.610 2.925 2.622 3.233 . 0 0 "[ . 1 . 2]" 1
357 1 37 ARG H 1 38 GLU H . . 3.300 2.947 2.681 3.074 . 0 0 "[ . 1 . 2]" 1
358 1 37 ARG H 1 39 ARG H . . 4.910 3.908 3.654 4.142 . 0 0 "[ . 1 . 2]" 1
359 1 37 ARG H 1 43 ILE MG . . 4.220 3.314 3.083 3.518 . 0 0 "[ . 1 . 2]" 1
360 1 37 ARG HA 1 37 ARG QD . . 3.910 3.777 3.555 3.951 0.041 1 0 "[ . 1 . 2]" 1
361 1 37 ARG HA 1 37 ARG HG2 . . 3.490 2.125 2.025 2.602 . 0 0 "[ . 1 . 2]" 1
362 1 37 ARG HA 1 37 ARG HG3 . . 3.820 3.006 2.348 3.149 . 0 0 "[ . 1 . 2]" 1
363 1 37 ARG HA 1 40 GLY H . . 4.420 3.242 3.072 3.616 . 0 0 "[ . 1 . 2]" 1
364 1 37 ARG HA 1 41 GLU H . . 4.890 3.799 3.108 4.228 . 0 0 "[ . 1 . 2]" 1
365 1 37 ARG HA 1 43 ILE MG . . 3.440 3.408 3.269 3.456 0.016 10 0 "[ . 1 . 2]" 1
366 1 37 ARG QB 1 37 ARG QD . . 3.070 2.097 2.019 2.124 . 0 0 "[ . 1 . 2]" 1
367 1 37 ARG QB 1 38 GLU H . . 3.290 2.444 2.331 2.671 . 0 0 "[ . 1 . 2]" 1
368 1 37 ARG QB 1 43 ILE MG . . 3.710 3.633 3.481 3.715 0.005 1 0 "[ . 1 . 2]" 1
369 1 37 ARG QD 1 43 ILE MG . . 3.940 3.451 2.588 3.935 . 0 0 "[ . 1 . 2]" 1
370 1 37 ARG HG2 1 38 GLU H . . 5.020 4.860 4.769 4.998 . 0 0 "[ . 1 . 2]" 1
371 1 37 ARG HG2 1 43 ILE MG . . 3.350 2.636 2.431 3.395 0.045 1 0 "[ . 1 . 2]" 1
372 1 37 ARG HG3 1 38 GLU H . . 5.130 4.754 4.603 4.953 . 0 0 "[ . 1 . 2]" 1
373 1 37 ARG HG3 1 43 ILE MG . . 3.480 2.172 1.986 2.441 . 0 0 "[ . 1 . 2]" 1
374 1 38 GLU H 1 38 GLU QB . . 3.210 2.180 2.026 2.387 . 0 0 "[ . 1 . 2]" 1
375 1 38 GLU H 1 38 GLU HG2 . . 4.030 3.138 2.418 3.743 . 0 0 "[ . 1 . 2]" 1
376 1 38 GLU H 1 38 GLU HG3 . . 3.900 3.179 2.580 4.041 0.141 16 0 "[ . 1 . 2]" 1
377 1 38 GLU H 1 39 ARG H . . 3.400 2.706 2.494 2.839 . 0 0 "[ . 1 . 2]" 1
378 1 38 GLU H 1 39 ARG QG . . 4.400 4.063 3.801 4.263 . 0 0 "[ . 1 . 2]" 1
379 1 38 GLU H 1 40 GLY H . . 5.070 3.990 3.836 4.169 . 0 0 "[ . 1 . 2]" 1
380 1 38 GLU HA 1 38 GLU HG2 . . 3.450 2.285 2.000 3.734 0.284 16 0 "[ . 1 . 2]" 1
381 1 38 GLU HA 1 38 GLU HG3 . . 3.630 3.346 2.823 3.627 . 0 0 "[ . 1 . 2]" 1
382 1 38 GLU HA 1 39 ARG QG . . 4.900 4.809 4.612 4.950 0.050 20 0 "[ . 1 . 2]" 1
383 1 38 GLU HA 1 40 GLY H . . 4.300 3.888 3.484 4.318 0.018 20 0 "[ . 1 . 2]" 1
384 1 38 GLU QB 1 38 GLU HG3 . . 2.760 2.229 2.179 2.379 . 0 0 "[ . 1 . 2]" 1
385 1 38 GLU QB 1 39 ARG H . . 3.470 3.042 2.631 3.474 0.004 16 0 "[ . 1 . 2]" 1
386 1 38 GLU QB 1 39 ARG QG . . 4.360 3.166 2.971 4.016 . 0 0 "[ . 1 . 2]" 1
387 1 39 ARG H 1 39 ARG HB2 . . 4.050 2.530 2.377 2.623 . 0 0 "[ . 1 . 2]" 1
388 1 39 ARG H 1 39 ARG HB3 . . 3.740 3.596 3.553 3.653 . 0 0 "[ . 1 . 2]" 1
389 1 39 ARG H 1 39 ARG HD2 . . 5.440 4.927 4.618 5.446 0.006 5 0 "[ . 1 . 2]" 1
390 1 39 ARG H 1 39 ARG QG . . 3.100 2.355 2.010 2.916 . 0 0 "[ . 1 . 2]" 1
391 1 39 ARG H 1 40 GLY H . . 3.620 2.350 1.984 2.603 . 0 0 "[ . 1 . 2]" 1
392 1 39 ARG H 1 41 GLU H . . 4.620 3.520 3.214 4.180 . 0 0 "[ . 1 . 2]" 1
393 1 39 ARG HA 1 39 ARG HD2 . . 4.710 4.500 4.304 4.700 . 0 0 "[ . 1 . 2]" 1
394 1 39 ARG HA 1 39 ARG HD3 . . 4.210 3.389 3.145 3.721 . 0 0 "[ . 1 . 2]" 1
395 1 39 ARG HA 1 39 ARG QG . . 2.830 2.501 2.359 2.628 . 0 0 "[ . 1 . 2]" 1
396 1 39 ARG HB2 1 39 ARG HD2 . . 4.040 3.706 3.493 3.875 . 0 0 "[ . 1 . 2]" 1
397 1 39 ARG HB2 1 39 ARG HD3 . . 3.410 3.279 3.119 3.416 0.006 9 0 "[ . 1 . 2]" 1
398 1 39 ARG HB2 1 40 GLY H . . 4.680 3.233 2.759 3.719 . 0 0 "[ . 1 . 2]" 1
399 1 39 ARG HB2 1 41 GLU H . . 4.030 2.636 2.373 3.412 . 0 0 "[ . 1 . 2]" 1
400 1 39 ARG HB2 1 60 ILE MD . . 4.010 3.894 3.625 4.034 0.024 7 0 "[ . 1 . 2]" 1
401 1 39 ARG HB2 1 60 ILE MG . . 4.520 3.708 3.303 4.059 . 0 0 "[ . 1 . 2]" 1
402 1 39 ARG HB3 1 40 GLY H . . 4.250 4.193 3.828 4.423 0.173 8 0 "[ . 1 . 2]" 1
403 1 39 ARG HB3 1 41 GLU H . . 4.790 3.845 3.480 4.811 0.021 20 0 "[ . 1 . 2]" 1
404 1 39 ARG HB3 1 41 GLU QG . . 3.290 2.582 2.300 3.067 . 0 0 "[ . 1 . 2]" 1
405 1 39 ARG HD2 1 57 LEU MD2 . . 3.550 3.233 2.770 3.550 . 0 0 "[ . 1 . 2]" 1
406 1 39 ARG HD2 1 60 ILE MD . . 4.450 3.958 3.621 4.405 . 0 0 "[ . 1 . 2]" 1
407 1 39 ARG HD2 1 60 ILE MG . . 3.560 2.043 1.841 2.278 . 0 0 "[ . 1 . 2]" 1
408 1 39 ARG HD3 1 57 LEU MD2 . . 5.110 4.493 4.076 4.859 . 0 0 "[ . 1 . 2]" 1
409 1 39 ARG HD3 1 60 ILE MD . . 4.660 4.206 3.790 4.661 0.001 11 0 "[ . 1 . 2]" 1
410 1 39 ARG HD3 1 60 ILE MG . . 3.440 2.658 2.158 2.997 . 0 0 "[ . 1 . 2]" 1
411 1 39 ARG QG 1 40 GLY H . . 5.500 4.113 3.946 4.361 . 0 0 "[ . 1 . 2]" 1
412 1 39 ARG QG 1 41 GLU QG . . 3.490 3.419 3.276 3.506 0.016 5 0 "[ . 1 . 2]" 1
413 1 39 ARG QG 1 57 LEU MD2 . . 4.050 2.987 2.788 3.179 . 0 0 "[ . 1 . 2]" 1
414 1 39 ARG QG 1 60 ILE MG . . 3.250 3.100 2.873 3.255 0.005 13 0 "[ . 1 . 2]" 1
415 1 40 GLY H 1 41 GLU H . . 3.400 2.378 2.133 2.658 . 0 0 "[ . 1 . 2]" 1
416 1 41 GLU H 1 41 GLU HB2 . . 3.400 2.637 2.459 2.957 . 0 0 "[ . 1 . 2]" 1
417 1 41 GLU H 1 41 GLU HB3 . . 3.720 3.606 3.558 3.751 0.031 20 0 "[ . 1 . 2]" 1
418 1 41 GLU H 1 41 GLU QG . . 3.610 2.096 1.982 2.228 . 0 0 "[ . 1 . 2]" 1
419 1 41 GLU H 1 42 PRO QD . . 5.140 4.330 4.321 4.339 . 0 0 "[ . 1 . 2]" 1
420 1 41 GLU HA 1 41 GLU QG . . 3.490 2.742 2.593 3.211 . 0 0 "[ . 1 . 2]" 1
421 1 41 GLU HA 1 42 PRO QD . . 2.820 2.012 1.994 2.090 . 0 0 "[ . 1 . 2]" 1
422 1 41 GLU HA 1 42 PRO QG . . 4.310 4.000 3.984 4.068 . 0 0 "[ . 1 . 2]" 1
423 1 41 GLU HB2 1 42 PRO QD . . 3.450 3.203 2.705 3.395 . 0 0 "[ . 1 . 2]" 1
424 1 41 GLU HB2 1 60 ILE MD . . 3.660 3.454 3.233 3.662 0.002 7 0 "[ . 1 . 2]" 1
425 1 41 GLU HB3 1 42 PRO QD . . 3.320 1.956 1.936 1.969 . 0 0 "[ . 1 . 2]" 1
426 1 41 GLU HB3 1 60 ILE MD . . 3.800 3.250 2.936 3.642 . 0 0 "[ . 1 . 2]" 1
427 1 41 GLU QG 1 42 PRO QD . . 4.190 3.759 3.689 3.854 . 0 0 "[ . 1 . 2]" 1
428 1 41 GLU QG 1 60 ILE MD . . 3.320 2.312 1.914 2.811 . 0 0 "[ . 1 . 2]" 1
429 1 42 PRO HA 1 43 ILE H . . 3.000 2.149 2.148 2.151 . 0 0 "[ . 1 . 2]" 1
430 1 42 PRO HA 1 43 ILE HG12 . . 4.520 4.068 3.686 4.509 . 0 0 "[ . 1 . 2]" 1
431 1 42 PRO HA 1 43 ILE MG . . 4.580 3.779 3.580 4.042 . 0 0 "[ . 1 . 2]" 1
432 1 42 PRO HA 1 44 ARG H . . 4.540 3.579 3.329 3.804 . 0 0 "[ . 1 . 2]" 1
433 1 42 PRO HB2 1 43 ILE H . . 3.850 3.838 3.741 3.874 0.024 20 0 "[ . 1 . 2]" 1
434 1 42 PRO HB2 1 44 ARG H . . 3.900 2.979 2.667 3.328 . 0 0 "[ . 1 . 2]" 1
435 1 42 PRO HB2 1 45 LEU HA . . 4.910 3.074 2.595 3.447 . 0 0 "[ . 1 . 2]" 1
436 1 42 PRO HB2 1 45 LEU QD . . 3.540 2.995 2.587 3.391 . 0 0 "[ . 1 . 2]" 1
437 1 42 PRO HB3 1 43 ILE H . . 4.160 4.108 4.034 4.135 . 0 0 "[ . 1 . 2]" 1
438 1 42 PRO HB3 1 44 ARG H . . 5.000 4.127 3.839 4.389 . 0 0 "[ . 1 . 2]" 1
439 1 42 PRO HB3 1 45 LEU QD . . 3.920 3.821 3.591 3.890 . 0 0 "[ . 1 . 2]" 1
440 1 42 PRO QD 1 45 LEU QD . . 4.060 3.145 2.592 3.792 . 0 0 "[ . 1 . 2]" 1
441 1 42 PRO QG 1 45 LEU QD . . 3.230 2.089 1.833 2.420 . 0 0 "[ . 1 . 2]" 1
442 1 43 ILE H 1 43 ILE HB . . 3.950 3.531 3.508 3.545 . 0 0 "[ . 1 . 2]" 1
443 1 43 ILE H 1 43 ILE MD . . 4.200 3.739 3.606 3.907 . 0 0 "[ . 1 . 2]" 1
444 1 43 ILE H 1 43 ILE HG12 . . 3.400 2.255 1.948 2.621 . 0 0 "[ . 1 . 2]" 1
445 1 43 ILE H 1 43 ILE HG13 . . 3.430 2.751 1.959 3.419 . 0 0 "[ . 1 . 2]" 1
446 1 43 ILE H 1 43 ILE MG . . 3.530 2.154 1.920 2.417 . 0 0 "[ . 1 . 2]" 1
447 1 43 ILE H 1 44 ARG H . . 3.390 2.740 2.574 2.961 . 0 0 "[ . 1 . 2]" 1
448 1 43 ILE HA 1 43 ILE HG12 . . 4.100 3.872 3.718 4.036 . 0 0 "[ . 1 . 2]" 1
449 1 43 ILE HA 1 43 ILE HG13 . . 3.960 3.619 3.523 3.724 . 0 0 "[ . 1 . 2]" 1
450 1 43 ILE HA 1 43 ILE MG . . 3.190 2.311 2.170 2.421 . 0 0 "[ . 1 . 2]" 1
451 1 43 ILE HB 1 43 ILE MD . . 3.080 2.159 1.992 2.328 . 0 0 "[ . 1 . 2]" 1
452 1 43 ILE HB 1 44 ARG H . . 4.280 3.918 3.629 4.219 . 0 0 "[ . 1 . 2]" 1
453 1 43 ILE MD 1 44 ARG QB . . 4.950 3.187 2.289 3.660 . 0 0 "[ . 1 . 2]" 1
454 1 43 ILE HG12 1 43 ILE MG . . 3.310 2.302 2.171 2.469 . 0 0 "[ . 1 . 2]" 1
455 1 43 ILE HG12 1 44 ARG H . . 3.970 3.267 2.535 3.892 . 0 0 "[ . 1 . 2]" 1
456 1 43 ILE HG13 1 43 ILE MG . . 3.320 3.176 2.994 3.241 . 0 0 "[ . 1 . 2]" 1
457 1 43 ILE HG13 1 44 ARG H . . 3.970 2.198 1.946 2.599 . 0 0 "[ . 1 . 2]" 1
458 1 43 ILE HG13 1 44 ARG QB . . 3.840 2.823 2.517 3.480 . 0 0 "[ . 1 . 2]" 1
459 1 43 ILE MG 1 44 ARG H . . 4.760 4.083 3.914 4.229 . 0 0 "[ . 1 . 2]" 1
460 1 43 ILE MG 1 44 ARG QB . . 4.950 4.904 4.842 4.966 0.016 16 0 "[ . 1 . 2]" 1
461 1 44 ARG H 1 44 ARG QB . . 3.730 2.637 2.525 2.758 . 0 0 "[ . 1 . 2]" 1
462 1 44 ARG H 1 44 ARG QG . . 4.710 4.140 4.038 4.337 . 0 0 "[ . 1 . 2]" 1
463 1 44 ARG H 1 45 LEU H . . 5.500 4.078 3.753 4.364 . 0 0 "[ . 1 . 2]" 1
464 1 44 ARG HA 1 44 ARG HD2 . . 3.850 2.738 2.389 3.445 . 0 0 "[ . 1 . 2]" 1
465 1 44 ARG HA 1 44 ARG HD3 . . 3.530 2.377 1.998 3.534 0.004 13 0 "[ . 1 . 2]" 1
466 1 44 ARG HA 1 44 ARG QG . . 3.740 2.880 2.214 3.103 . 0 0 "[ . 1 . 2]" 1
467 1 44 ARG HA 1 45 LEU H . . 3.170 2.242 2.225 2.286 . 0 0 "[ . 1 . 2]" 1
468 1 44 ARG HA 1 48 GLU HB3 . . 4.630 3.902 3.434 4.250 . 0 0 "[ . 1 . 2]" 1
469 1 44 ARG HA 1 53 ALA MB . . 4.000 3.363 2.755 3.840 . 0 0 "[ . 1 . 2]" 1
470 1 44 ARG QB 1 44 ARG HD2 . . 3.890 3.282 2.602 3.449 . 0 0 "[ . 1 . 2]" 1
471 1 44 ARG QB 1 45 LEU H . . 4.340 3.888 3.520 4.068 . 0 0 "[ . 1 . 2]" 1
472 1 44 ARG HD2 1 45 LEU H . . 5.040 2.860 1.990 3.561 . 0 0 "[ . 1 . 2]" 1
473 1 44 ARG HD2 1 48 GLU H . . 4.830 2.854 1.950 4.274 . 0 0 "[ . 1 . 2]" 1
474 1 44 ARG HD2 1 48 GLU HB2 . . 3.510 2.486 2.245 3.353 . 0 0 "[ . 1 . 2]" 1
475 1 44 ARG HD2 1 48 GLU HB3 . . 4.710 2.834 2.173 3.442 . 0 0 "[ . 1 . 2]" 1
476 1 44 ARG HD2 1 48 GLU QG . . 4.320 4.322 4.296 4.330 0.010 20 0 "[ . 1 . 2]" 1
477 1 44 ARG HD2 1 53 ALA MB . . 4.310 3.888 3.008 4.306 . 0 0 "[ . 1 . 2]" 1
478 1 44 ARG HD3 1 45 LEU H . . 4.820 3.621 2.960 4.244 . 0 0 "[ . 1 . 2]" 1
479 1 44 ARG HD3 1 48 GLU HB2 . . 5.030 3.753 2.638 4.769 . 0 0 "[ . 1 . 2]" 1
480 1 44 ARG HD3 1 48 GLU HB3 . . 4.250 3.554 2.762 4.153 . 0 0 "[ . 1 . 2]" 1
481 1 44 ARG HD3 1 53 ALA MB . . 3.980 3.352 1.983 3.835 . 0 0 "[ . 1 . 2]" 1
482 1 44 ARG QG 1 45 LEU H . . 3.680 3.300 2.685 3.688 0.008 13 0 "[ . 1 . 2]" 1
483 1 44 ARG QG 1 48 GLU H . . 4.730 3.678 2.851 4.594 . 0 0 "[ . 1 . 2]" 1
484 1 44 ARG QG 1 48 GLU HB2 . . 4.050 3.754 3.248 4.053 0.003 19 0 "[ . 1 . 2]" 1
485 1 45 LEU H 1 45 LEU HB2 . . 3.460 2.139 2.059 2.242 . 0 0 "[ . 1 . 2]" 1
486 1 45 LEU H 1 45 LEU HB3 . . 3.360 3.410 3.223 3.510 0.150 16 0 "[ . 1 . 2]" 1
487 1 45 LEU H 1 45 LEU QD . . 4.210 3.011 2.454 3.720 . 0 0 "[ . 1 . 2]" 1
488 1 45 LEU H 1 45 LEU HG . . 3.810 3.502 3.089 3.825 0.015 12 0 "[ . 1 . 2]" 1
489 1 45 LEU H 1 48 GLU H . . 5.500 4.061 3.582 4.563 . 0 0 "[ . 1 . 2]" 1
490 1 45 LEU H 1 48 GLU HB2 . . 3.890 2.290 1.955 2.760 . 0 0 "[ . 1 . 2]" 1
491 1 45 LEU H 1 48 GLU HB3 . . 4.420 3.173 2.359 3.923 . 0 0 "[ . 1 . 2]" 1
492 1 45 LEU H 1 48 GLU QG . . 4.320 3.608 3.272 3.890 . 0 0 "[ . 1 . 2]" 1
493 1 45 LEU HA 1 45 LEU HB2 . . 3.020 2.964 2.877 3.006 . 0 0 "[ . 1 . 2]" 1
494 1 45 LEU HA 1 45 LEU QD . . 2.980 2.530 1.840 2.862 . 0 0 "[ . 1 . 2]" 1
495 1 45 LEU HA 1 45 LEU HG . . 4.040 2.440 2.188 3.540 . 0 0 "[ . 1 . 2]" 1
496 1 45 LEU HA 1 46 PHE H . . 3.560 2.837 2.316 3.618 0.058 3 0 "[ . 1 . 2]" 1
497 1 45 LEU HB2 1 45 LEU QD . . 2.810 2.117 1.977 2.589 . 0 0 "[ . 1 . 2]" 1
498 1 45 LEU HB2 1 45 LEU HG . . 2.620 2.732 2.218 3.005 0.385 19 0 "[ . 1 . 2]" 1
499 1 45 LEU HB2 1 46 PHE H . . 4.120 3.415 2.362 4.187 0.067 15 0 "[ . 1 . 2]" 1
500 1 45 LEU HB2 1 48 GLU QG . . 3.820 2.382 2.035 2.784 . 0 0 "[ . 1 . 2]" 1
501 1 45 LEU HB3 1 45 LEU QD . . 3.260 2.019 1.962 2.154 . 0 0 "[ . 1 . 2]" 1
502 1 45 LEU HB3 1 48 GLU H . . 4.860 4.696 3.325 5.359 0.499 13 0 "[ . 1 . 2]" 1
503 1 45 LEU HB3 1 48 GLU HB2 . . 4.010 3.592 2.573 4.617 0.607 3 1 "[ + . 1 . 2]" 1
504 1 45 LEU HB3 1 48 GLU QG . . 3.380 3.120 2.469 3.824 0.444 15 0 "[ . 1 . 2]" 1
505 1 45 LEU QD 1 46 PHE H . . 4.970 2.856 1.921 3.819 . 0 0 "[ . 1 . 2]" 1
506 1 45 LEU QD 1 48 GLU QG . . 4.430 3.016 2.534 3.467 . 0 0 "[ . 1 . 2]" 1
507 1 45 LEU QD 1 56 ARG HD2 . . 3.670 2.403 2.141 2.912 . 0 0 "[ . 1 . 2]" 1
508 1 45 LEU QD 1 56 ARG HD3 . . 3.510 2.458 1.923 3.359 . 0 0 "[ . 1 . 2]" 1
509 1 45 LEU QD 1 56 ARG HE . . 4.650 2.437 2.062 3.527 . 0 0 "[ . 1 . 2]" 1
510 1 45 LEU HG 1 56 ARG HE . . 5.090 4.909 3.662 5.098 0.008 13 0 "[ . 1 . 2]" 1
511 1 46 PHE H 1 46 PHE HB2 . . 3.900 2.277 1.947 3.233 . 0 0 "[ . 1 . 2]" 1
512 1 46 PHE H 1 46 PHE HB3 . . 3.770 2.885 2.331 3.365 . 0 0 "[ . 1 . 2]" 1
513 1 46 PHE HA 1 46 PHE QD . . 3.890 2.796 2.210 3.129 . 0 0 "[ . 1 . 2]" 1
514 1 46 PHE HA 1 46 PHE QE . . 5.500 4.529 4.288 4.699 . 0 0 "[ . 1 . 2]" 1
515 1 46 PHE HA 1 47 GLY H . . 3.560 2.345 2.196 2.521 . 0 0 "[ . 1 . 2]" 1
516 1 46 PHE HA 1 48 GLU H . . 4.580 4.319 3.703 4.592 0.012 8 0 "[ . 1 . 2]" 1
517 1 46 PHE QD 1 47 GLY HA2 . . 5.500 5.094 3.813 6.107 0.607 8 2 "[ - . + 1 . 2]" 1
518 1 47 GLY H 1 48 GLU H . . 4.290 2.506 2.069 3.204 . 0 0 "[ . 1 . 2]" 1
519 1 48 GLU H 1 48 GLU HB2 . . 3.260 2.308 2.051 2.654 . 0 0 "[ . 1 . 2]" 1
520 1 48 GLU H 1 48 GLU HB3 . . 3.950 3.394 3.247 3.632 . 0 0 "[ . 1 . 2]" 1
521 1 48 GLU H 1 48 GLU QG . . 3.710 3.502 2.684 3.698 . 0 0 "[ . 1 . 2]" 1
522 1 48 GLU H 1 49 THR H . . 5.070 4.478 4.204 4.656 . 0 0 "[ . 1 . 2]" 1
523 1 48 GLU HA 1 48 GLU QG . . 3.310 2.063 1.986 2.149 . 0 0 "[ . 1 . 2]" 1
524 1 48 GLU HA 1 49 THR H . . 3.020 2.374 2.204 2.639 . 0 0 "[ . 1 . 2]" 1
525 1 48 GLU HA 1 49 THR MG . . 4.260 3.916 3.457 4.262 0.002 5 0 "[ . 1 . 2]" 1
526 1 48 GLU HA 1 52 ASP HB2 . . 3.740 3.248 2.114 3.747 0.007 16 0 "[ . 1 . 2]" 1
527 1 48 GLU HA 1 52 ASP HB3 . . 3.740 3.205 2.529 3.637 . 0 0 "[ . 1 . 2]" 1
528 1 48 GLU HB2 1 49 THR H . . 4.800 4.265 3.794 4.656 . 0 0 "[ . 1 . 2]" 1
529 1 48 GLU HB2 1 52 ASP HB3 . . 4.130 4.150 3.735 4.760 0.630 9 1 "[ . +1 . 2]" 1
530 1 48 GLU HB3 1 48 GLU QG . . 2.800 2.469 2.179 2.565 . 0 0 "[ . 1 . 2]" 1
531 1 48 GLU HB3 1 49 THR H . . 4.180 3.133 2.326 3.901 . 0 0 "[ . 1 . 2]" 1
532 1 48 GLU HB3 1 52 ASP HB2 . . 3.870 3.740 2.783 3.887 0.017 20 0 "[ . 1 . 2]" 1
533 1 48 GLU HB3 1 52 ASP HB3 . . 3.910 2.864 2.378 3.872 . 0 0 "[ . 1 . 2]" 1
534 1 48 GLU HB3 1 53 ALA H . . 4.390 3.288 2.813 3.946 . 0 0 "[ . 1 . 2]" 1
535 1 48 GLU HB3 1 53 ALA MB . . 3.950 2.854 2.368 3.872 . 0 0 "[ . 1 . 2]" 1
536 1 48 GLU QG 1 49 THR H . . 4.310 3.207 2.719 4.016 . 0 0 "[ . 1 . 2]" 1
537 1 48 GLU QG 1 52 ASP HB2 . . 3.290 3.014 2.248 3.304 0.014 13 0 "[ . 1 . 2]" 1
538 1 48 GLU QG 1 52 ASP HB3 . . 3.320 2.077 1.961 2.347 . 0 0 "[ . 1 . 2]" 1
539 1 48 GLU QG 1 53 ALA H . . 4.300 4.105 3.726 4.302 0.002 19 0 "[ . 1 . 2]" 1
540 1 48 GLU QG 1 53 ALA HA . . 4.870 4.367 3.511 4.691 . 0 0 "[ . 1 . 2]" 1
541 1 48 GLU QG 1 53 ALA MB . . 4.330 4.311 4.037 4.362 0.032 8 0 "[ . 1 . 2]" 1
542 1 48 GLU OE2 1 56 ARG HE . . 1.800 2.050 1.798 3.266 1.466 3 3 "[ + . 1 - . *2]" 1
543 1 48 GLU OE2 1 56 ARG NE . . 2.700 2.850 2.691 3.694 0.994 3 2 "[ + . 1 . -2]" 1
544 1 49 THR H 1 49 THR MG . . 3.320 2.333 1.912 3.104 . 0 0 "[ . 1 . 2]" 1
545 1 49 THR H 1 52 ASP H . . 4.570 3.211 2.902 3.501 . 0 0 "[ . 1 . 2]" 1
546 1 49 THR H 1 52 ASP HB2 . . 3.600 1.984 1.945 2.183 . 0 0 "[ . 1 . 2]" 1
547 1 49 THR H 1 52 ASP HB3 . . 3.520 2.713 1.947 3.603 0.083 19 0 "[ . 1 . 2]" 1
548 1 49 THR H 1 53 ALA H . . 5.020 3.484 2.800 4.411 . 0 0 "[ . 1 . 2]" 1
549 1 49 THR HA 1 49 THR MG . . 3.340 3.096 2.366 3.246 . 0 0 "[ . 1 . 2]" 1
550 1 49 THR HB 1 50 ASP H . . 4.300 3.649 1.946 4.161 . 0 0 "[ . 1 . 2]" 1
551 1 49 THR HB 1 52 ASP H . . 4.760 4.248 3.467 4.554 . 0 0 "[ . 1 . 2]" 1
552 1 49 THR MG 1 50 ASP H . . 3.460 3.190 2.453 3.499 0.039 20 0 "[ . 1 . 2]" 1
553 1 49 THR MG 1 51 TYR H . . 4.890 2.297 1.897 4.601 . 0 0 "[ . 1 . 2]" 1
554 1 49 THR MG 1 52 ASP H . . 5.070 2.170 1.726 4.469 . 0 0 "[ . 1 . 2]" 1
555 1 49 THR MG 1 52 ASP HB2 . . 4.860 2.358 1.965 3.847 . 0 0 "[ . 1 . 2]" 1
556 1 49 THR MG 1 52 ASP HB3 . . 4.570 3.716 3.350 4.597 0.027 20 0 "[ . 1 . 2]" 1
557 1 50 ASP H 1 51 TYR H . . 4.620 2.880 2.407 3.080 . 0 0 "[ . 1 . 2]" 1
558 1 50 ASP HA 1 53 ALA MB . . 3.770 2.853 2.435 3.339 . 0 0 "[ . 1 . 2]" 1
559 1 50 ASP QB 1 51 TYR H . . 3.540 2.610 2.158 3.170 . 0 0 "[ . 1 . 2]" 1
560 1 50 ASP QB 1 51 TYR HB2 . . 4.500 3.876 3.581 4.479 . 0 0 "[ . 1 . 2]" 1
561 1 51 TYR H 1 51 TYR HB2 . . 3.450 2.011 1.934 2.241 . 0 0 "[ . 1 . 2]" 1
562 1 51 TYR H 1 51 TYR HB3 . . 3.380 2.712 2.416 2.821 . 0 0 "[ . 1 . 2]" 1
563 1 51 TYR H 1 51 TYR QD . . 5.100 3.939 3.854 4.068 . 0 0 "[ . 1 . 2]" 1
564 1 51 TYR H 1 52 ASP H . . 4.220 2.789 2.234 2.976 . 0 0 "[ . 1 . 2]" 1
565 1 51 TYR H 1 53 ALA H . . 4.970 4.287 3.920 4.680 . 0 0 "[ . 1 . 2]" 1
566 1 51 TYR HA 1 51 TYR QD . . 3.650 2.519 2.159 2.910 . 0 0 "[ . 1 . 2]" 1
567 1 51 TYR HA 1 53 ALA H . . 4.830 4.722 4.458 4.836 0.006 9 0 "[ . 1 . 2]" 1
568 1 51 TYR HA 1 54 PHE H . . 4.110 3.410 3.183 3.526 . 0 0 "[ . 1 . 2]" 1
569 1 51 TYR HA 1 54 PHE QB . . 3.200 2.205 1.972 2.506 . 0 0 "[ . 1 . 2]" 1
570 1 51 TYR HA 1 54 PHE QD . . 4.400 2.709 2.423 3.269 . 0 0 "[ . 1 . 2]" 1
571 1 51 TYR HA 1 55 GLN H . . 4.940 3.636 3.358 4.108 . 0 0 "[ . 1 . 2]" 1
572 1 51 TYR HB2 1 52 ASP H . . 4.100 3.339 3.053 3.537 . 0 0 "[ . 1 . 2]" 1
573 1 51 TYR HB3 1 52 ASP H . . 3.410 2.194 1.941 2.794 . 0 0 "[ . 1 . 2]" 1
574 1 51 TYR QD 1 52 ASP H . . 4.590 3.901 3.375 4.327 . 0 0 "[ . 1 . 2]" 1
575 1 51 TYR QD 1 52 ASP HA . . 4.130 3.955 3.614 4.133 0.003 7 0 "[ . 1 . 2]" 1
576 1 51 TYR QD 1 54 PHE QB . . 3.940 3.516 3.124 3.810 . 0 0 "[ . 1 . 2]" 1
577 1 51 TYR QD 1 55 GLN HG2 . . 4.800 2.693 1.998 3.847 . 0 0 "[ . 1 . 2]" 1
578 1 51 TYR QD 1 55 GLN HG3 . . 4.220 2.539 2.000 3.528 . 0 0 "[ . 1 . 2]" 1
579 1 51 TYR QE 1 55 GLN HG2 . . 4.350 3.192 2.604 4.126 . 0 0 "[ . 1 . 2]" 1
580 1 51 TYR QE 1 55 GLN HG3 . . 4.330 3.102 2.284 3.837 . 0 0 "[ . 1 . 2]" 1
581 1 52 ASP H 1 52 ASP HB2 . . 4.040 2.098 2.005 2.729 . 0 0 "[ . 1 . 2]" 1
582 1 52 ASP H 1 52 ASP HB3 . . 3.980 3.188 2.884 3.563 . 0 0 "[ . 1 . 2]" 1
583 1 52 ASP H 1 53 ALA H . . 3.240 2.896 2.576 3.141 . 0 0 "[ . 1 . 2]" 1
584 1 52 ASP HA 1 52 ASP HB2 . . 2.970 2.835 2.698 3.056 0.086 19 0 "[ . 1 . 2]" 1
585 1 52 ASP HA 1 54 PHE H . . 4.810 4.492 4.096 4.811 0.001 6 0 "[ . 1 . 2]" 1
586 1 52 ASP HA 1 55 GLN H . . 4.220 3.700 3.335 3.988 . 0 0 "[ . 1 . 2]" 1
587 1 52 ASP HA 1 55 GLN QB . . 3.480 2.893 2.618 3.323 . 0 0 "[ . 1 . 2]" 1
588 1 52 ASP HA 1 55 GLN HG2 . . 4.440 4.363 4.137 4.444 0.004 7 0 "[ . 1 . 2]" 1
589 1 52 ASP HA 1 55 GLN HG3 . . 4.270 3.670 3.280 4.209 . 0 0 "[ . 1 . 2]" 1
590 1 52 ASP HB2 1 53 ALA H . . 3.480 2.979 2.144 3.355 . 0 0 "[ . 1 . 2]" 1
591 1 52 ASP HB3 1 53 ALA H . . 3.440 2.562 2.194 3.487 0.047 9 0 "[ . 1 . 2]" 1
592 1 52 ASP HB3 1 53 ALA MB . . 4.710 3.805 3.579 4.716 0.006 9 0 "[ . 1 . 2]" 1
593 1 53 ALA H 1 53 ALA MB . . 3.140 2.126 1.967 2.162 . 0 0 "[ . 1 . 2]" 1
594 1 53 ALA H 1 54 PHE H . . 3.220 2.759 2.449 2.959 . 0 0 "[ . 1 . 2]" 1
595 1 53 ALA H 1 55 GLN H . . 4.720 4.562 4.143 4.727 0.007 18 0 "[ . 1 . 2]" 1
596 1 53 ALA HA 1 56 ARG H . . 4.130 3.718 3.404 3.930 . 0 0 "[ . 1 . 2]" 1
597 1 53 ALA HA 1 56 ARG HB2 . . 3.470 2.976 2.690 3.286 . 0 0 "[ . 1 . 2]" 1
598 1 53 ALA HA 1 56 ARG HB3 . . 3.890 3.151 2.735 3.737 . 0 0 "[ . 1 . 2]" 1
599 1 53 ALA HA 1 56 ARG HD3 . . 4.930 5.002 3.778 5.752 0.822 19 3 "[ . - * . +2]" 1
600 1 53 ALA HA 1 56 ARG HE . . 4.510 3.823 2.368 4.513 0.003 11 0 "[ . 1 . 2]" 1
601 1 53 ALA MB 1 54 PHE H . . 3.670 2.553 2.297 2.923 . 0 0 "[ . 1 . 2]" 1
602 1 53 ALA MB 1 54 PHE HA . . 3.930 3.813 3.676 3.909 . 0 0 "[ . 1 . 2]" 1
603 1 53 ALA MB 1 54 PHE QB . . 5.380 3.787 3.663 3.941 . 0 0 "[ . 1 . 2]" 1
604 1 54 PHE H 1 54 PHE QB . . 2.980 2.010 1.967 2.069 . 0 0 "[ . 1 . 2]" 1
605 1 54 PHE H 1 54 PHE QD . . 4.580 3.983 3.891 4.054 . 0 0 "[ . 1 . 2]" 1
606 1 54 PHE H 1 55 GLN H . . 3.670 2.883 2.637 3.042 . 0 0 "[ . 1 . 2]" 1
607 1 54 PHE H 1 55 GLN QB . . 4.800 4.753 4.520 4.811 0.011 6 0 "[ . 1 . 2]" 1
608 1 54 PHE HA 1 54 PHE QD . . 3.750 2.599 2.410 2.758 . 0 0 "[ . 1 . 2]" 1
609 1 54 PHE HA 1 57 LEU H . . 4.080 3.742 3.395 3.949 . 0 0 "[ . 1 . 2]" 1
610 1 54 PHE HA 1 57 LEU HB2 . . 4.580 4.532 4.339 4.590 0.010 9 0 "[ . 1 . 2]" 1
611 1 54 PHE HA 1 57 LEU HB3 . . 3.750 3.243 3.066 3.348 . 0 0 "[ . 1 . 2]" 1
612 1 54 PHE HA 1 57 LEU MD1 . . 4.880 4.061 3.833 4.282 . 0 0 "[ . 1 . 2]" 1
613 1 54 PHE QB 1 55 GLN H . . 3.520 2.322 2.106 2.638 . 0 0 "[ . 1 . 2]" 1
614 1 54 PHE QB 1 55 GLN HG2 . . 4.940 3.534 3.173 4.903 . 0 0 "[ . 1 . 2]" 1
615 1 54 PHE QD 1 55 GLN H . . 4.220 2.880 2.524 3.181 . 0 0 "[ . 1 . 2]" 1
616 1 54 PHE QD 1 55 GLN HA . . 4.640 3.718 3.500 3.917 . 0 0 "[ . 1 . 2]" 1
617 1 54 PHE QD 1 55 GLN QB . . 4.460 4.302 4.119 4.464 0.004 8 0 "[ . 1 . 2]" 1
618 1 54 PHE QD 1 55 GLN HG2 . . 4.040 2.449 2.084 3.587 . 0 0 "[ . 1 . 2]" 1
619 1 54 PHE QD 1 57 LEU MD1 . . 3.990 3.831 3.683 3.991 0.001 3 0 "[ . 1 . 2]" 1
620 1 54 PHE QD 1 58 ARG QG . . 3.930 3.400 3.246 3.520 . 0 0 "[ . 1 . 2]" 1
621 1 54 PHE QE 1 58 ARG HD2 . . 5.120 4.663 3.608 5.037 . 0 0 "[ . 1 . 2]" 1
622 1 54 PHE QE 1 58 ARG HD3 . . 4.320 4.257 3.862 4.812 0.492 10 0 "[ . 1 . 2]" 1
623 1 54 PHE QE 1 58 ARG QG . . 4.470 2.171 1.941 2.417 . 0 0 "[ . 1 . 2]" 1
624 1 54 PHE HZ 1 58 ARG HD2 . . 5.350 4.757 3.528 5.352 0.002 14 0 "[ . 1 . 2]" 1
625 1 54 PHE HZ 1 58 ARG HD3 . . 5.090 4.450 3.760 4.954 . 0 0 "[ . 1 . 2]" 1
626 1 54 PHE HZ 1 58 ARG QG . . 4.740 2.548 2.138 3.000 . 0 0 "[ . 1 . 2]" 1
627 1 55 GLN H 1 55 GLN QB . . 3.370 2.460 2.375 2.517 . 0 0 "[ . 1 . 2]" 1
628 1 55 GLN H 1 55 GLN HG2 . . 2.690 2.281 1.951 3.508 0.818 19 3 "[ . - * . +2]" 1
629 1 55 GLN H 1 55 GLN HG3 . . 4.020 3.007 1.948 3.359 . 0 0 "[ . 1 . 2]" 1
630 1 55 GLN H 1 56 ARG H . . 3.580 2.887 2.741 3.038 . 0 0 "[ . 1 . 2]" 1
631 1 55 GLN HA 1 55 GLN HG2 . . 3.930 2.682 2.599 2.899 . 0 0 "[ . 1 . 2]" 1
632 1 55 GLN HA 1 55 GLN HG3 . . 4.240 3.581 2.663 3.752 . 0 0 "[ . 1 . 2]" 1
633 1 55 GLN HA 1 58 ARG H . . 4.080 3.510 3.392 3.727 . 0 0 "[ . 1 . 2]" 1
634 1 55 GLN HA 1 58 ARG HB2 . . 3.640 2.269 2.102 2.517 . 0 0 "[ . 1 . 2]" 1
635 1 55 GLN HA 1 58 ARG HB3 . . 3.540 2.948 2.817 3.133 . 0 0 "[ . 1 . 2]" 1
636 1 55 GLN HA 1 58 ARG QG . . 4.300 3.674 3.445 3.852 . 0 0 "[ . 1 . 2]" 1
637 1 55 GLN HA 1 59 LYS H . . 4.870 4.330 4.186 4.485 . 0 0 "[ . 1 . 2]" 1
638 1 55 GLN QB 1 56 ARG H . . 3.510 2.545 2.242 2.857 . 0 0 "[ . 1 . 2]" 1
639 1 56 ARG H 1 56 ARG HB2 . . 3.280 2.188 2.117 2.240 . 0 0 "[ . 1 . 2]" 1
640 1 56 ARG H 1 56 ARG HB3 . . 3.430 2.851 2.745 3.034 . 0 0 "[ . 1 . 2]" 1
641 1 56 ARG H 1 56 ARG HG2 . . 4.720 4.580 4.536 4.627 . 0 0 "[ . 1 . 2]" 1
642 1 56 ARG H 1 56 ARG HG3 . . 4.240 4.135 3.969 4.239 . 0 0 "[ . 1 . 2]" 1
643 1 56 ARG HA 1 56 ARG HB3 . . 3.040 3.045 3.026 3.053 0.013 19 0 "[ . 1 . 2]" 1
644 1 56 ARG HA 1 56 ARG HD3 . . 4.800 4.511 3.897 4.787 . 0 0 "[ . 1 . 2]" 1
645 1 56 ARG HA 1 56 ARG HG2 . . 3.530 3.152 2.980 3.440 . 0 0 "[ . 1 . 2]" 1
646 1 56 ARG HA 1 56 ARG HG3 . . 3.330 2.242 2.131 2.370 . 0 0 "[ . 1 . 2]" 1
647 1 56 ARG HA 1 59 LYS H . . 4.730 3.735 3.670 3.790 . 0 0 "[ . 1 . 2]" 1
648 1 56 ARG HB2 1 56 ARG HD3 . . 4.140 3.368 2.418 3.748 . 0 0 "[ . 1 . 2]" 1
649 1 56 ARG HB2 1 57 LEU H . . 3.320 3.436 3.338 3.468 0.148 13 0 "[ . 1 . 2]" 1
650 1 56 ARG HB3 1 56 ARG HD2 . . 4.090 2.983 2.481 3.884 . 0 0 "[ . 1 . 2]" 1
651 1 56 ARG HB3 1 56 ARG HD3 . . 3.640 3.668 3.281 3.967 0.327 9 0 "[ . 1 . 2]" 1
652 1 56 ARG HB3 1 56 ARG HE . . 4.850 3.793 2.885 4.356 . 0 0 "[ . 1 . 2]" 1
653 1 56 ARG HB3 1 57 LEU H . . 3.450 2.146 2.066 2.207 . 0 0 "[ . 1 . 2]" 1
654 1 56 ARG HD2 1 60 ILE MD . . 5.010 4.347 3.909 4.850 . 0 0 "[ . 1 . 2]" 1
655 1 56 ARG HD3 1 56 ARG HH12 . . 4.810 3.979 3.544 4.888 0.078 3 0 "[ . 1 . 2]" 1
656 1 56 ARG HG2 1 57 LEU H . . 4.750 3.886 3.693 4.101 . 0 0 "[ . 1 . 2]" 1
657 1 56 ARG HG2 1 60 ILE MD . . 3.470 2.591 2.225 2.809 . 0 0 "[ . 1 . 2]" 1
658 1 56 ARG HG3 1 57 LEU H . . 4.860 4.575 4.272 4.719 . 0 0 "[ . 1 . 2]" 1
659 1 56 ARG HG3 1 60 ILE MD . . 4.070 3.902 3.474 4.078 0.008 4 0 "[ . 1 . 2]" 1
660 1 57 LEU H 1 57 LEU HB2 . . 3.200 2.563 2.537 2.586 . 0 0 "[ . 1 . 2]" 1
661 1 57 LEU H 1 57 LEU HB3 . . 3.180 2.316 2.302 2.337 . 0 0 "[ . 1 . 2]" 1
662 1 57 LEU H 1 57 LEU MD1 . . 3.840 3.868 3.847 3.905 0.065 13 0 "[ . 1 . 2]" 1
663 1 57 LEU H 1 57 LEU MD2 . . 4.050 4.071 4.052 4.085 0.035 16 0 "[ . 1 . 2]" 1
664 1 57 LEU H 1 57 LEU HG . . 4.810 4.541 4.536 4.546 . 0 0 "[ . 1 . 2]" 1
665 1 57 LEU H 1 58 ARG H . . 3.120 2.770 2.725 2.826 . 0 0 "[ . 1 . 2]" 1
666 1 57 LEU H 1 59 LYS H . . 4.980 3.937 3.919 3.991 . 0 0 "[ . 1 . 2]" 1
667 1 57 LEU H 1 60 ILE MD . . 5.250 4.138 3.720 4.368 . 0 0 "[ . 1 . 2]" 1
668 1 57 LEU HA 1 57 LEU MD1 . . 4.100 3.465 3.427 3.481 . 0 0 "[ . 1 . 2]" 1
669 1 57 LEU HA 1 57 LEU MD2 . . 2.940 2.022 1.980 2.066 . 0 0 "[ . 1 . 2]" 1
670 1 57 LEU HA 1 60 ILE H . . 4.170 2.719 2.707 2.736 . 0 0 "[ . 1 . 2]" 1
671 1 57 LEU HA 1 60 ILE HB . . 3.390 1.997 1.986 2.045 . 0 0 "[ . 1 . 2]" 1
672 1 57 LEU HA 1 60 ILE MD . . 3.510 2.553 2.224 2.811 . 0 0 "[ . 1 . 2]" 1
673 1 57 LEU HA 1 60 ILE HG12 . . 4.170 4.180 4.145 4.195 0.025 9 0 "[ . 1 . 2]" 1
674 1 57 LEU HA 1 60 ILE HG13 . . 4.250 2.816 2.750 2.886 . 0 0 "[ . 1 . 2]" 1
675 1 57 LEU HA 1 61 GLU H . . 4.750 3.743 3.703 3.792 . 0 0 "[ . 1 . 2]" 1
676 1 57 LEU HB2 1 57 LEU MD1 . . 3.380 3.158 3.149 3.174 . 0 0 "[ . 1 . 2]" 1
677 1 57 LEU HB2 1 57 LEU MD2 . . 3.550 2.611 2.585 2.637 . 0 0 "[ . 1 . 2]" 1
678 1 57 LEU HB2 1 58 ARG H . . 4.220 3.953 3.925 3.978 . 0 0 "[ . 1 . 2]" 1
679 1 57 LEU HB3 1 57 LEU MD1 . . 3.210 2.122 2.071 2.222 . 0 0 "[ . 1 . 2]" 1
680 1 57 LEU HB3 1 58 ARG H . . 3.420 2.580 2.539 2.616 . 0 0 "[ . 1 . 2]" 1
681 1 57 LEU MD1 1 58 ARG H . . 4.560 2.539 2.469 2.633 . 0 0 "[ . 1 . 2]" 1
682 1 57 LEU MD1 1 61 GLU HG2 . . 4.530 2.034 1.982 2.134 . 0 0 "[ . 1 . 2]" 1
683 1 57 LEU MD2 1 58 ARG H . . 4.740 4.021 3.983 4.048 . 0 0 "[ . 1 . 2]" 1
684 1 57 LEU MD2 1 58 ARG HA . . 4.210 4.054 4.021 4.073 . 0 0 "[ . 1 . 2]" 1
685 1 57 LEU MD2 1 60 ILE HB . . 3.280 1.972 1.949 2.065 . 0 0 "[ . 1 . 2]" 1
686 1 57 LEU MD2 1 60 ILE HG13 . . 3.890 3.905 3.871 3.936 0.046 14 0 "[ . 1 . 2]" 1
687 1 57 LEU MD2 1 61 GLU H . . 4.800 2.553 2.520 2.693 . 0 0 "[ . 1 . 2]" 1
688 1 57 LEU MD2 1 61 GLU HG2 . . 3.680 1.856 1.831 1.921 . 0 0 "[ . 1 . 2]" 1
689 1 57 LEU MD2 1 61 GLU HG3 . . 3.880 2.920 2.825 3.038 . 0 0 "[ . 1 . 2]" 1
690 1 57 LEU HG 1 58 ARG H . . 4.690 4.713 4.694 4.723 0.033 15 0 "[ . 1 . 2]" 1
691 1 57 LEU HG 1 61 GLU HG2 . . 4.030 4.053 4.042 4.079 0.049 13 0 "[ . 1 . 2]" 1
692 1 58 ARG H 1 58 ARG HB2 . . 3.290 2.043 2.039 2.050 . 0 0 "[ . 1 . 2]" 1
693 1 58 ARG H 1 58 ARG HB3 . . 3.160 3.248 3.180 3.299 0.139 19 0 "[ . 1 . 2]" 1
694 1 58 ARG H 1 58 ARG HD2 . . 5.500 5.013 4.472 5.700 0.200 10 0 "[ . 1 . 2]" 1
695 1 58 ARG H 1 58 ARG QG . . 3.490 3.329 3.234 3.446 . 0 0 "[ . 1 . 2]" 1
696 1 58 ARG H 1 59 LYS H . . 3.810 2.844 2.812 2.852 . 0 0 "[ . 1 . 2]" 1
697 1 58 ARG H 1 60 ILE H . . 4.160 4.158 4.066 4.173 0.013 12 0 "[ . 1 . 2]" 1
698 1 58 ARG HA 1 58 ARG HD2 . . 3.510 3.267 2.300 4.000 0.490 15 0 "[ . 1 . 2]" 1
699 1 58 ARG HA 1 58 ARG HD3 . . 4.000 3.388 2.270 3.980 . 0 0 "[ . 1 . 2]" 1
700 1 58 ARG HA 1 58 ARG QG . . 3.620 2.141 1.994 2.442 . 0 0 "[ . 1 . 2]" 1
701 1 58 ARG HA 1 61 GLU H . . 3.800 3.804 3.746 3.817 0.017 20 0 "[ . 1 . 2]" 1
702 1 58 ARG HA 1 61 GLU HB2 . . 3.460 3.329 3.276 3.362 . 0 0 "[ . 1 . 2]" 1
703 1 58 ARG HA 1 61 GLU HG2 . . 4.500 3.747 3.642 3.884 . 0 0 "[ . 1 . 2]" 1
704 1 58 ARG HA 1 61 GLU HG3 . . 3.520 3.503 3.407 3.531 0.011 6 0 "[ . 1 . 2]" 1
705 1 58 ARG HB2 1 58 ARG HD2 . . 4.100 3.679 3.388 4.228 0.128 20 0 "[ . 1 . 2]" 1
706 1 58 ARG HB2 1 59 LYS H . . 3.490 3.533 3.472 3.601 0.111 6 0 "[ . 1 . 2]" 1
707 1 58 ARG HB3 1 58 ARG HD2 . . 4.250 2.532 2.032 3.510 . 0 0 "[ . 1 . 2]" 1
708 1 58 ARG HB3 1 59 LYS H . . 3.560 3.301 3.223 3.389 . 0 0 "[ . 1 . 2]" 1
709 1 58 ARG QG 1 59 LYS H . . 4.940 4.714 4.659 4.782 . 0 0 "[ . 1 . 2]" 1
710 1 59 LYS H 1 59 LYS HB2 . . 3.150 2.604 2.284 3.034 . 0 0 "[ . 1 . 2]" 1
711 1 59 LYS H 1 59 LYS HB3 . . 3.220 2.652 2.250 2.969 . 0 0 "[ . 1 . 2]" 1
712 1 59 LYS H 1 59 LYS QD . . 5.220 4.448 4.301 4.537 . 0 0 "[ . 1 . 2]" 1
713 1 59 LYS H 1 59 LYS HG2 . . 4.930 4.435 4.076 4.620 . 0 0 "[ . 1 . 2]" 1
714 1 59 LYS H 1 59 LYS HG3 . . 4.140 4.240 4.145 4.503 0.363 3 0 "[ . 1 . 2]" 1
715 1 59 LYS H 1 60 ILE H . . 2.910 2.182 2.154 2.193 . 0 0 "[ . 1 . 2]" 1
716 1 59 LYS H 1 60 ILE HB . . 4.100 4.172 4.159 4.201 0.101 14 0 "[ . 1 . 2]" 1
717 1 59 LYS H 1 61 GLU H . . 4.190 3.898 3.787 3.961 . 0 0 "[ . 1 . 2]" 1
718 1 59 LYS HA 1 59 LYS HB2 . . 2.920 2.565 2.327 2.749 . 0 0 "[ . 1 . 2]" 1
719 1 59 LYS HA 1 59 LYS QD . . 3.930 3.553 1.977 3.931 0.001 6 0 "[ . 1 . 2]" 1
720 1 59 LYS HA 1 59 LYS HG2 . . 3.800 2.981 2.396 3.844 0.044 13 0 "[ . 1 . 2]" 1
721 1 59 LYS HA 1 59 LYS HG3 . . 3.530 2.642 2.336 3.314 . 0 0 "[ . 1 . 2]" 1
722 1 59 LYS HA 1 62 ILE H . . 4.440 3.345 3.239 3.479 . 0 0 "[ . 1 . 2]" 1
723 1 59 LYS HA 1 62 ILE MD . . 3.590 2.074 1.915 3.603 0.013 15 0 "[ . 1 . 2]" 1
724 1 59 LYS HA 1 62 ILE HG12 . . 4.480 4.214 1.995 4.480 . 0 0 "[ . 1 . 2]" 1
725 1 59 LYS HB2 1 59 LYS QD . . 3.470 2.418 2.254 2.506 . 0 0 "[ . 1 . 2]" 1
726 1 59 LYS HB2 1 60 ILE H . . 4.650 3.874 3.580 4.296 . 0 0 "[ . 1 . 2]" 1
727 1 59 LYS HB3 1 60 ILE H . . 3.750 3.026 2.968 3.134 . 0 0 "[ . 1 . 2]" 1
728 1 59 LYS QE 1 59 LYS HG2 . . 3.620 2.296 1.975 2.729 . 0 0 "[ . 1 . 2]" 1
729 1 59 LYS QE 1 59 LYS HG3 . . 3.250 2.652 2.236 3.383 0.133 15 0 "[ . 1 . 2]" 1
730 1 59 LYS HG2 1 60 ILE H . . 4.820 4.519 3.528 4.841 0.021 20 0 "[ . 1 . 2]" 1
731 1 60 ILE H 1 60 ILE HB . . 3.260 2.272 2.255 2.305 . 0 0 "[ . 1 . 2]" 1
732 1 60 ILE H 1 60 ILE MD . . 3.930 3.683 3.505 3.775 . 0 0 "[ . 1 . 2]" 1
733 1 60 ILE H 1 60 ILE HG12 . . 3.960 3.466 3.373 3.579 . 0 0 "[ . 1 . 2]" 1
734 1 60 ILE H 1 60 ILE HG13 . . 3.560 2.331 2.240 2.372 . 0 0 "[ . 1 . 2]" 1
735 1 60 ILE H 1 60 ILE MG . . 3.920 3.667 3.659 3.679 . 0 0 "[ . 1 . 2]" 1
736 1 60 ILE H 1 61 GLU H . . 3.580 2.689 2.605 2.706 . 0 0 "[ . 1 . 2]" 1
737 1 60 ILE H 1 61 GLU HG2 . . 5.500 4.311 4.147 4.402 . 0 0 "[ . 1 . 2]" 1
738 1 60 ILE HA 1 60 ILE MD . . 3.950 3.734 3.676 3.796 . 0 0 "[ . 1 . 2]" 1
739 1 60 ILE HA 1 60 ILE HG12 . . 3.530 2.360 2.296 2.473 . 0 0 "[ . 1 . 2]" 1
740 1 60 ILE HA 1 60 ILE HG13 . . 3.430 2.947 2.857 3.043 . 0 0 "[ . 1 . 2]" 1
741 1 60 ILE HA 1 60 ILE MG . . 3.300 2.546 2.498 2.581 . 0 0 "[ . 1 . 2]" 1
742 1 60 ILE HA 1 63 LEU QB . . 3.580 2.775 2.310 3.201 . 0 0 "[ . 1 . 2]" 1
743 1 60 ILE HA 1 63 LEU HG . . 4.580 3.745 2.534 4.337 . 0 0 "[ . 1 . 2]" 1
744 1 60 ILE HB 1 60 ILE MD . . 2.930 2.403 2.321 2.509 . 0 0 "[ . 1 . 2]" 1
745 1 60 ILE HB 1 61 GLU H . . 3.950 2.718 2.664 2.837 . 0 0 "[ . 1 . 2]" 1
746 1 60 ILE HB 1 61 GLU HG2 . . 4.910 3.582 3.515 3.667 . 0 0 "[ . 1 . 2]" 1
747 1 60 ILE MD 1 61 GLU H . . 5.330 4.709 4.626 4.868 . 0 0 "[ . 1 . 2]" 1
748 1 60 ILE HG12 1 60 ILE MG . . 3.230 2.498 2.366 2.579 . 0 0 "[ . 1 . 2]" 1
749 1 60 ILE HG13 1 60 ILE MG . . 3.360 3.230 3.215 3.240 . 0 0 "[ . 1 . 2]" 1
750 1 60 ILE HG13 1 61 GLU H . . 4.980 4.500 4.447 4.527 . 0 0 "[ . 1 . 2]" 1
751 1 60 ILE MG 1 61 GLU H . . 4.170 3.237 3.150 3.351 . 0 0 "[ . 1 . 2]" 1
752 1 60 ILE MG 1 61 GLU HA . . 4.350 3.253 3.137 3.422 . 0 0 "[ . 1 . 2]" 1
753 1 60 ILE MG 1 61 GLU HG2 . . 4.860 3.744 3.626 3.896 . 0 0 "[ . 1 . 2]" 1
754 1 60 ILE MG 1 64 THR HB . . 4.240 3.651 3.009 4.242 0.002 6 0 "[ . 1 . 2]" 1
755 1 61 GLU H 1 61 GLU HB2 . . 3.260 2.464 2.436 2.512 . 0 0 "[ . 1 . 2]" 1
756 1 61 GLU H 1 61 GLU HB3 . . 3.770 3.547 3.545 3.551 . 0 0 "[ . 1 . 2]" 1
757 1 61 GLU H 1 61 GLU HG2 . . 3.720 2.084 1.997 2.142 . 0 0 "[ . 1 . 2]" 1
758 1 61 GLU H 1 61 GLU HG3 . . 3.870 3.417 3.370 3.491 . 0 0 "[ . 1 . 2]" 1
759 1 61 GLU H 1 62 ILE H . . 3.960 2.781 2.656 2.825 . 0 0 "[ . 1 . 2]" 1
760 1 61 GLU HA 1 61 GLU HG2 . . 3.720 2.848 2.793 2.913 . 0 0 "[ . 1 . 2]" 1
761 1 61 GLU HA 1 61 GLU HG3 . . 3.800 3.728 3.711 3.746 . 0 0 "[ . 1 . 2]" 1
762 1 61 GLU HB2 1 61 GLU HG2 . . 2.810 2.567 2.539 2.594 . 0 0 "[ . 1 . 2]" 1
763 1 61 GLU HB2 1 62 ILE H . . 4.030 2.859 2.641 3.216 . 0 0 "[ . 1 . 2]" 1
764 1 61 GLU HB3 1 61 GLU HG2 . . 2.980 3.052 3.047 3.055 0.075 9 0 "[ . 1 . 2]" 1
765 1 61 GLU HB3 1 61 GLU HG3 . . 2.660 2.566 2.539 2.594 . 0 0 "[ . 1 . 2]" 1
766 1 61 GLU HB3 1 62 ILE H . . 4.680 3.815 3.643 4.069 . 0 0 "[ . 1 . 2]" 1
767 1 61 GLU HG2 1 62 ILE H . . 4.980 4.441 4.345 4.556 . 0 0 "[ . 1 . 2]" 1
768 1 61 GLU HG3 1 62 ILE H . . 5.500 5.088 4.914 5.355 . 0 0 "[ . 1 . 2]" 1
769 1 62 ILE H 1 62 ILE HB . . 3.210 2.439 2.391 2.494 . 0 0 "[ . 1 . 2]" 1
770 1 62 ILE H 1 62 ILE MD . . 4.780 3.304 2.402 3.529 . 0 0 "[ . 1 . 2]" 1
771 1 62 ILE H 1 62 ILE HG12 . . 3.940 3.348 2.236 3.645 . 0 0 "[ . 1 . 2]" 1
772 1 62 ILE H 1 62 ILE HG13 . . 3.680 2.109 1.947 3.653 . 0 0 "[ . 1 . 2]" 1
773 1 62 ILE H 1 62 ILE MG . . 3.810 3.714 3.705 3.757 . 0 0 "[ . 1 . 2]" 1
774 1 62 ILE H 1 63 LEU H . . 3.600 2.738 2.498 2.900 . 0 0 "[ . 1 . 2]" 1
775 1 62 ILE HA 1 62 ILE HG12 . . 3.440 2.675 2.505 3.412 . 0 0 "[ . 1 . 2]" 1
776 1 62 ILE HA 1 62 ILE HG13 . . 3.460 2.944 2.827 3.558 0.098 15 0 "[ . 1 . 2]" 1
777 1 62 ILE HA 1 62 ILE MG . . 3.280 2.374 2.286 2.424 . 0 0 "[ . 1 . 2]" 1
778 1 62 ILE HB 1 62 ILE MD . . 3.290 2.262 2.089 3.155 . 0 0 "[ . 1 . 2]" 1
779 1 62 ILE HG13 1 62 ILE MG . . 3.180 3.158 2.074 3.226 0.046 18 0 "[ . 1 . 2]" 1
780 1 62 ILE HG13 1 63 LEU H . . 4.220 4.240 4.088 5.030 0.810 15 1 "[ . 1 + 2]" 1
781 1 63 LEU H 1 63 LEU QB . . 3.260 2.267 1.986 2.511 . 0 0 "[ . 1 . 2]" 1
782 1 63 LEU H 1 63 LEU QD . . 4.030 3.031 2.029 3.681 . 0 0 "[ . 1 . 2]" 1
783 1 63 LEU H 1 63 LEU HG . . 3.870 2.658 2.017 3.887 0.017 3 0 "[ . 1 . 2]" 1
784 1 63 LEU H 1 64 THR H . . 3.520 3.124 2.729 3.420 . 0 0 "[ . 1 . 2]" 1
785 1 63 LEU HA 1 63 LEU QD . . 3.090 2.290 1.862 3.004 . 0 0 "[ . 1 . 2]" 1
786 1 63 LEU HA 1 63 LEU HG . . 4.120 2.948 2.393 3.769 . 0 0 "[ . 1 . 2]" 1
787 1 63 LEU QB 1 63 LEU QD . . 2.790 1.907 1.750 2.083 . 0 0 "[ . 1 . 2]" 1
788 1 63 LEU QB 1 64 THR H . . 3.960 2.360 1.925 3.389 . 0 0 "[ . 1 . 2]" 1
789 1 64 THR H 1 64 THR HB . . 3.580 2.343 2.042 2.802 . 0 0 "[ . 1 . 2]" 1
790 1 64 THR H 1 64 THR MG . . 4.530 3.450 2.261 3.870 . 0 0 "[ . 1 . 2]" 1
791 1 64 THR H 1 65 PRO QD . . 4.200 4.133 3.534 4.279 0.079 10 0 "[ . 1 . 2]" 1
792 1 64 THR HA 1 64 THR MG . . 3.640 2.674 2.107 3.237 . 0 0 "[ . 1 . 2]" 1
793 1 64 THR HA 1 65 PRO QD . . 2.880 1.877 1.851 1.965 . 0 0 "[ . 1 . 2]" 1
794 1 64 THR HB 1 65 PRO QD . . 4.240 3.883 3.472 4.344 0.104 20 0 "[ . 1 . 2]" 1
795 1 64 THR MG 1 65 PRO QD . . 4.030 2.339 1.758 4.064 0.034 11 0 "[ . 1 . 2]" 1
796 1 64 THR MG 1 66 GLU H . . 5.350 3.952 2.022 5.360 0.010 18 0 "[ . 1 . 2]" 1
797 1 65 PRO HB2 1 66 GLU H . . 3.390 2.434 1.949 3.386 . 0 0 "[ . 1 . 2]" 1
798 1 65 PRO HB3 1 66 GLU H . . 4.270 3.550 3.100 4.268 . 0 0 "[ . 1 . 2]" 1
799 1 65 PRO QD 1 66 GLU H . . 4.700 3.547 2.235 4.700 0.000 4 0 "[ . 1 . 2]" 1
800 1 65 PRO QG 1 66 GLU H . . 4.600 3.136 2.198 3.809 . 0 0 "[ . 1 . 2]" 1
801 1 66 GLU H 1 66 GLU QB . . 3.490 2.729 1.999 3.295 . 0 0 "[ . 1 . 2]" 1
802 1 66 GLU H 1 67 VAL H . . 4.510 3.802 2.662 4.516 0.006 17 0 "[ . 1 . 2]" 1
803 1 66 GLU HA 1 67 VAL H . . 3.100 2.317 2.203 2.626 . 0 0 "[ . 1 . 2]" 1
804 1 67 VAL H 1 67 VAL HB . . 3.490 3.175 2.328 3.541 0.051 19 0 "[ . 1 . 2]" 1
805 1 67 VAL H 1 67 VAL MG1 . . 3.780 3.107 1.938 4.045 0.265 12 0 "[ . 1 . 2]" 1
806 1 67 VAL H 1 68 ASN H . . 4.150 3.497 2.407 4.160 0.010 19 0 "[ . 1 . 2]" 1
807 1 67 VAL HA 1 67 VAL MG1 . . 3.260 2.743 2.183 3.220 . 0 0 "[ . 1 . 2]" 1
808 1 67 VAL MG1 1 68 ASN H . . 5.430 3.466 1.894 4.199 . 0 0 "[ . 1 . 2]" 1
809 1 72 GLY QA 1 73 PRO QD . . 3.480 1.949 1.853 2.037 . 0 0 "[ . 1 . 2]" 1
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