NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399770 |
1ufw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ufw
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 1096
_Distance_constraint_stats_list.Viol_count 1050
_Distance_constraint_stats_list.Viol_total 2333.453
_Distance_constraint_stats_list.Viol_max 0.986
_Distance_constraint_stats_list.Viol_rms 0.0437
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.1111
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 SER 0.000 0.000 3 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 3 0 "[ . 1 . 2]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 4.210 0.402 16 0 "[ . 1 . 2]"
1 13 PRO 4.210 0.402 16 0 "[ . 1 . 2]"
1 14 LEU 0.949 0.377 1 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 1.866 0.880 6 2 "[ .+ 1 . - 2]"
1 17 THR 0.024 0.011 5 0 "[ . 1 . 2]"
1 18 VAL 0.311 0.311 16 0 "[ . 1 . 2]"
1 19 VAL 0.257 0.076 15 0 "[ . 1 . 2]"
1 20 VAL 3.531 0.526 9 1 "[ . +1 . 2]"
1 21 ASN 0.680 0.076 15 0 "[ . 1 . 2]"
1 22 LEU 0.968 0.216 15 0 "[ . 1 . 2]"
1 23 GLN 0.194 0.187 12 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PRO 1.681 0.946 9 2 "[ . +- . 2]"
1 26 THR 0.394 0.108 19 0 "[ . 1 . 2]"
1 27 LEU 2.935 0.670 19 2 "[ . 1 . +-]"
1 28 GLU 0.583 0.146 18 0 "[ . 1 . 2]"
1 29 GLU 3.732 0.874 18 1 "[ . 1 . + 2]"
1 30 LYS 7.143 0.946 9 4 "[ . +* . *-]"
1 31 ASN 0.036 0.025 18 0 "[ . 1 . 2]"
1 32 GLU 3.025 0.708 17 2 "[ . 1 .-+ 2]"
1 33 PHE 6.958 0.801 7 5 "[ * . + 1 * -* 2]"
1 34 PRO 2.271 0.874 18 1 "[ . 1 . + 2]"
1 35 GLU 2.697 0.270 17 0 "[ . 1 . 2]"
1 36 ASP 0.196 0.085 3 0 "[ . 1 . 2]"
1 37 LEU 0.947 0.222 18 0 "[ . 1 . 2]"
1 38 ARG 10.494 0.968 9 7 "[ **. * +1 * -* 2]"
1 39 THR 1.246 0.290 9 0 "[ . 1 . 2]"
1 40 GLU 0.316 0.043 18 0 "[ . 1 . 2]"
1 41 LEU 2.715 0.968 9 2 "[ -. +1 . 2]"
1 42 MET 11.104 0.882 17 4 "[ * .* 1 . + *2]"
1 43 GLN 0.215 0.168 10 0 "[ . 1 . 2]"
1 44 THR 1.520 0.533 13 1 "[ . 1 + . 2]"
1 45 LEU 0.726 0.101 9 0 "[ . 1 . 2]"
1 46 GLY 0.275 0.074 18 0 "[ . 1 . 2]"
1 47 SER 0.044 0.032 10 0 "[ . 1 . 2]"
1 48 TYR 0.179 0.047 10 0 "[ . 1 . 2]"
1 49 GLY 0.058 0.027 17 0 "[ . 1 . 2]"
1 50 THR 0.365 0.066 11 0 "[ . 1 . 2]"
1 51 ILE 1.648 0.171 19 0 "[ . 1 . 2]"
1 52 VAL 4.446 0.605 17 2 "[ . 1 .-+ 2]"
1 53 LEU 21.400 0.759 16 9 "[ ** . ** 1 * *+- *]"
1 54 VAL 3.803 0.500 17 1 "[ . 1 . + 2]"
1 55 ARG 2.427 0.719 11 1 "[ . 1+ . 2]"
1 56 ILE 3.086 0.719 11 1 "[ . 1+ . 2]"
1 57 ASN 2.806 0.663 19 1 "[ . 1 . +2]"
1 58 GLN 0.297 0.052 5 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 2.379 0.663 19 1 "[ . 1 . +2]"
1 61 MET 13.169 0.882 17 5 "[ * .* -1 . + *2]"
1 62 LEU 2.217 0.212 9 0 "[ . 1 . 2]"
1 63 VAL 2.259 0.311 16 0 "[ . 1 . 2]"
1 64 THR 14.863 0.759 16 9 "[ ** . ** 1 * *+* *]"
1 65 PHE 2.510 0.880 6 2 "[ .+ 1 . - 2]"
1 66 ALA 0.533 0.128 11 0 "[ . 1 . 2]"
1 67 ASP 0.747 0.142 6 0 "[ . 1 . 2]"
1 68 SER 0.411 0.131 9 0 "[ . 1 . 2]"
1 69 HIS 0.237 0.028 5 0 "[ . 1 . 2]"
1 70 SER 0.281 0.142 6 0 "[ . 1 . 2]"
1 71 ALA 0.160 0.031 8 0 "[ . 1 . 2]"
1 72 LEU 1.508 0.224 8 0 "[ . 1 . 2]"
1 73 SER 2.432 0.224 8 0 "[ . 1 . 2]"
1 74 VAL 0.674 0.155 3 0 "[ . 1 . 2]"
1 75 LEU 1.976 0.191 3 0 "[ . 1 . 2]"
1 76 ASP 0.044 0.028 10 0 "[ . 1 . 2]"
1 77 VAL 0.094 0.054 10 0 "[ . 1 . 2]"
1 78 ASP 0.117 0.029 8 0 "[ . 1 . 2]"
1 79 GLY 0.096 0.029 8 0 "[ . 1 . 2]"
1 80 MET 12.123 0.986 11 8 "[ * * * 1+*-*.* 2]"
1 81 LYS 11.449 0.986 11 7 "[ * - * 1+* *.* 2]"
1 82 VAL 7.441 0.436 14 0 "[ . 1 . 2]"
1 83 LYS 1.502 0.081 7 0 "[ . 1 . 2]"
1 84 GLY 0.035 0.018 10 0 "[ . 1 . 2]"
1 85 ARG 3.325 0.457 1 0 "[ . 1 . 2]"
1 86 ALA 2.564 0.457 1 0 "[ . 1 . 2]"
1 87 VAL 1.388 0.193 12 0 "[ . 1 . 2]"
1 88 LYS 1.890 0.193 12 0 "[ . 1 . 2]"
1 89 ILE 2.947 0.389 17 0 "[ . 1 . 2]"
1 90 SER 0.127 0.045 19 0 "[ . 1 . 2]"
1 91 GLY 0.362 0.097 4 0 "[ . 1 . 2]"
1 92 PRO 0.362 0.097 4 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 SER H 1 9 SER QB . . 4.900 4.734 4.448 4.900 0.000 3 0 "[ . 1 . 2]" 1
2 1 8 SER QB 1 9 SER H . . 4.280 3.969 3.581 4.105 . 0 0 "[ . 1 . 2]" 1
3 1 10 PHE H 1 10 PHE QB . . 3.790 2.786 1.935 3.203 . 0 0 "[ . 1 . 2]" 1
4 1 10 PHE HA 1 11 GLN QG . . 5.050 4.582 3.684 5.050 . 0 0 "[ . 1 . 2]" 1
5 1 10 PHE QB 1 11 GLN H . . 5.500 3.554 2.240 4.092 . 0 0 "[ . 1 . 2]" 1
6 1 11 GLN H 1 12 GLY H . . 4.550 3.861 2.044 4.543 . 0 0 "[ . 1 . 2]" 1
7 1 11 GLN HB2 1 11 GLN QG . . 2.680 2.362 2.180 2.571 . 0 0 "[ . 1 . 2]" 1
8 1 11 GLN HB2 1 12 GLY H . . 5.500 4.005 2.811 4.721 . 0 0 "[ . 1 . 2]" 1
9 1 12 GLY HA2 1 13 PRO HD2 . . 3.450 2.558 2.265 3.674 0.224 12 0 "[ . 1 . 2]" 1
10 1 12 GLY HA2 1 13 PRO HD3 . . 3.590 2.051 1.930 2.915 . 0 0 "[ . 1 . 2]" 1
11 1 12 GLY HA3 1 13 PRO HD3 . . 3.210 3.310 2.161 3.612 0.402 16 0 "[ . 1 . 2]" 1
12 1 14 LEU H 1 14 LEU HB2 . . 3.560 2.467 2.014 3.560 . 0 0 "[ . 1 . 2]" 1
13 1 14 LEU H 1 14 LEU HB3 . . 3.770 3.258 2.171 3.600 . 0 0 "[ . 1 . 2]" 1
14 1 14 LEU H 1 14 LEU MD2 . . 4.870 3.911 2.174 4.494 . 0 0 "[ . 1 . 2]" 1
15 1 14 LEU H 1 14 LEU HG . . 3.980 3.148 2.007 3.979 . 0 0 "[ . 1 . 2]" 1
16 1 14 LEU H 1 15 ASP H . . 4.250 2.608 2.254 3.010 . 0 0 "[ . 1 . 2]" 1
17 1 14 LEU HA 1 14 LEU MD2 . . 3.630 3.054 2.095 4.007 0.377 1 0 "[ . 1 . 2]" 1
18 1 14 LEU HA 1 14 LEU HG . . 3.610 2.626 2.084 3.648 0.038 1 0 "[ . 1 . 2]" 1
19 1 14 LEU HB2 1 14 LEU MD1 . . 3.620 2.118 1.911 2.347 . 0 0 "[ . 1 . 2]" 1
20 1 14 LEU HB2 1 15 ASP H . . 5.190 3.012 2.294 4.173 . 0 0 "[ . 1 . 2]" 1
21 1 14 LEU HB3 1 14 LEU MD1 . . 3.180 2.863 2.308 3.213 0.033 2 0 "[ . 1 . 2]" 1
22 1 14 LEU HB3 1 14 LEU MD2 . . 3.280 2.163 1.967 2.483 . 0 0 "[ . 1 . 2]" 1
23 1 14 LEU HB3 1 15 ASP H . . 5.060 3.312 2.204 4.427 . 0 0 "[ . 1 . 2]" 1
24 1 14 LEU MD2 1 15 ASP H . . 5.120 4.487 3.847 4.957 . 0 0 "[ . 1 . 2]" 1
25 1 15 ASP H 1 16 ALA H . . 4.360 2.890 2.395 3.160 . 0 0 "[ . 1 . 2]" 1
26 1 15 ASP QB 1 16 ALA H . . 4.940 2.396 1.929 3.237 . 0 0 "[ . 1 . 2]" 1
27 1 16 ALA H 1 17 THR H . . 3.760 2.497 1.895 3.086 . 0 0 "[ . 1 . 2]" 1
28 1 16 ALA H 1 17 THR HB . . 5.470 4.486 3.520 5.382 . 0 0 "[ . 1 . 2]" 1
29 1 16 ALA H 1 17 THR HG1 . . 5.500 4.130 2.559 5.500 0.000 9 0 "[ . 1 . 2]" 1
30 1 16 ALA HA 1 68 SER HA . . 3.820 3.230 2.651 3.639 . 0 0 "[ . 1 . 2]" 1
31 1 16 ALA HA 1 68 SER HB2 . . 4.970 4.379 3.535 4.670 . 0 0 "[ . 1 . 2]" 1
32 1 16 ALA HA 1 68 SER HB3 . . 4.550 4.237 3.537 4.553 0.003 17 0 "[ . 1 . 2]" 1
33 1 16 ALA HA 1 71 ALA H . . 5.500 5.385 4.634 5.520 0.020 15 0 "[ . 1 . 2]" 1
34 1 16 ALA HA 1 71 ALA MB . . 3.810 3.551 3.196 3.841 0.031 8 0 "[ . 1 . 2]" 1
35 1 16 ALA MB 1 17 THR H . . 4.530 3.627 2.335 3.793 . 0 0 "[ . 1 . 2]" 1
36 1 16 ALA MB 1 64 THR HA . . 4.710 3.925 3.789 4.159 . 0 0 "[ . 1 . 2]" 1
37 1 16 ALA MB 1 64 THR MG . . 2.950 2.835 2.663 2.963 0.013 9 0 "[ . 1 . 2]" 1
38 1 16 ALA MB 1 65 PHE H . . 4.080 2.295 2.018 2.956 . 0 0 "[ . 1 . 2]" 1
39 1 16 ALA MB 1 65 PHE HB2 . . 4.660 2.515 2.102 3.622 . 0 0 "[ . 1 . 2]" 1
40 1 16 ALA MB 1 65 PHE HB3 . . 3.800 3.568 3.150 4.680 0.880 6 2 "[ .+ 1 . - 2]" 1
41 1 16 ALA MB 1 68 SER H . . 4.800 4.115 3.549 4.644 . 0 0 "[ . 1 . 2]" 1
42 1 16 ALA MB 1 68 SER HA . . 3.480 2.811 2.159 3.496 0.016 17 0 "[ . 1 . 2]" 1
43 1 16 ALA MB 1 68 SER HB2 . . 4.660 4.366 3.876 4.674 0.014 15 0 "[ . 1 . 2]" 1
44 1 16 ALA MB 1 68 SER HB3 . . 4.460 3.668 3.107 3.988 . 0 0 "[ . 1 . 2]" 1
45 1 17 THR H 1 17 THR HB . . 3.710 2.467 2.362 2.710 . 0 0 "[ . 1 . 2]" 1
46 1 17 THR HA 1 17 THR MG . . 3.670 2.380 2.284 2.469 . 0 0 "[ . 1 . 2]" 1
47 1 17 THR HA 1 18 VAL H . . 3.180 2.245 2.151 2.290 . 0 0 "[ . 1 . 2]" 1
48 1 17 THR HA 1 18 VAL QG . . 3.610 3.124 3.024 3.297 . 0 0 "[ . 1 . 2]" 1
49 1 17 THR HA 1 64 THR HA . . 3.390 2.083 1.988 2.210 . 0 0 "[ . 1 . 2]" 1
50 1 17 THR HA 1 64 THR MG . . 5.090 3.177 2.643 3.381 . 0 0 "[ . 1 . 2]" 1
51 1 17 THR HA 1 65 PHE H . . 5.470 3.487 3.048 3.657 . 0 0 "[ . 1 . 2]" 1
52 1 17 THR HB 1 18 VAL H . . 5.500 4.121 4.024 4.415 . 0 0 "[ . 1 . 2]" 1
53 1 17 THR MG 1 18 VAL H . . 3.540 2.456 2.202 3.025 . 0 0 "[ . 1 . 2]" 1
54 1 17 THR MG 1 19 VAL QG . . 5.500 3.875 3.161 4.764 . 0 0 "[ . 1 . 2]" 1
55 1 17 THR MG 1 62 LEU HA . . 4.100 3.586 3.303 3.904 . 0 0 "[ . 1 . 2]" 1
56 1 17 THR MG 1 62 LEU HB3 . . 4.420 2.633 2.131 3.830 . 0 0 "[ . 1 . 2]" 1
57 1 17 THR MG 1 62 LEU HG . . 4.630 3.912 3.376 4.419 . 0 0 "[ . 1 . 2]" 1
58 1 17 THR MG 1 63 VAL H . . 4.080 3.608 3.324 3.922 . 0 0 "[ . 1 . 2]" 1
59 1 17 THR MG 1 64 THR HA . . 4.120 3.280 2.984 3.403 . 0 0 "[ . 1 . 2]" 1
60 1 17 THR MG 1 64 THR HB . . 5.050 4.523 4.314 4.855 . 0 0 "[ . 1 . 2]" 1
61 1 17 THR MG 1 64 THR MG . . 3.830 3.407 3.011 3.710 . 0 0 "[ . 1 . 2]" 1
62 1 17 THR MG 1 65 PHE H . . 5.110 5.027 4.634 5.121 0.011 5 0 "[ . 1 . 2]" 1
63 1 18 VAL H 1 18 VAL QG . . 3.500 2.165 1.934 2.308 . 0 0 "[ . 1 . 2]" 1
64 1 18 VAL H 1 63 VAL HB . . 5.500 3.851 3.449 5.313 . 0 0 "[ . 1 . 2]" 1
65 1 18 VAL H 1 64 THR HA . . 4.420 3.494 3.239 3.638 . 0 0 "[ . 1 . 2]" 1
66 1 18 VAL HA 1 19 VAL QG . . 5.480 3.477 3.206 3.737 . 0 0 "[ . 1 . 2]" 1
67 1 18 VAL HB 1 19 VAL H . . 3.760 2.877 2.564 3.228 . 0 0 "[ . 1 . 2]" 1
68 1 18 VAL HB 1 75 LEU QD . . 3.180 2.621 2.092 3.167 . 0 0 "[ . 1 . 2]" 1
69 1 18 VAL QG 1 19 VAL H . . 3.970 3.389 3.158 3.541 . 0 0 "[ . 1 . 2]" 1
70 1 18 VAL QG 1 63 VAL H . . 3.870 2.835 2.377 3.136 . 0 0 "[ . 1 . 2]" 1
71 1 18 VAL QG 1 63 VAL HB . . 3.470 2.333 2.063 3.781 0.311 16 0 "[ . 1 . 2]" 1
72 1 18 VAL QG 1 63 VAL QG . . 4.390 2.757 1.591 3.032 . 0 0 "[ . 1 . 2]" 1
73 1 18 VAL QG 1 65 PHE QD . . 4.500 2.656 2.269 2.933 . 0 0 "[ . 1 . 2]" 1
74 1 18 VAL QG 1 65 PHE QE . . 3.790 1.917 1.771 2.088 . 0 0 "[ . 1 . 2]" 1
75 1 18 VAL QG 1 65 PHE HZ . . 3.760 3.518 3.002 3.711 . 0 0 "[ . 1 . 2]" 1
76 1 18 VAL QG 1 71 ALA H . . 5.250 4.386 4.106 4.634 . 0 0 "[ . 1 . 2]" 1
77 1 18 VAL QG 1 71 ALA HA . . 3.760 3.023 2.636 3.479 . 0 0 "[ . 1 . 2]" 1
78 1 18 VAL QG 1 71 ALA MB . . 3.440 1.875 1.646 2.187 . 0 0 "[ . 1 . 2]" 1
79 1 18 VAL QG 1 74 VAL QG . . 3.760 2.921 2.376 3.361 . 0 0 "[ . 1 . 2]" 1
80 1 18 VAL QG 1 75 LEU QD . . 2.580 2.112 1.748 2.358 . 0 0 "[ . 1 . 2]" 1
81 1 19 VAL H 1 19 VAL HB . . 3.940 2.642 2.378 3.056 . 0 0 "[ . 1 . 2]" 1
82 1 19 VAL H 1 19 VAL QG . . 3.780 2.268 1.880 2.618 . 0 0 "[ . 1 . 2]" 1
83 1 19 VAL H 1 90 SER H . . 3.650 3.178 2.664 3.580 . 0 0 "[ . 1 . 2]" 1
84 1 19 VAL H 1 91 GLY HA2 . . 5.070 3.108 2.811 3.753 . 0 0 "[ . 1 . 2]" 1
85 1 19 VAL HA 1 20 VAL H . . 3.350 2.218 2.184 2.291 . 0 0 "[ . 1 . 2]" 1
86 1 19 VAL HA 1 20 VAL HB . . 4.680 4.408 4.252 4.603 . 0 0 "[ . 1 . 2]" 1
87 1 19 VAL HA 1 20 VAL MG2 . . 5.280 3.788 3.456 4.159 . 0 0 "[ . 1 . 2]" 1
88 1 19 VAL HA 1 62 LEU HA . . 4.020 2.406 2.155 2.601 . 0 0 "[ . 1 . 2]" 1
89 1 19 VAL HA 1 62 LEU QD . . 4.560 3.497 2.030 4.104 . 0 0 "[ . 1 . 2]" 1
90 1 19 VAL HA 1 63 VAL H . . 4.600 3.411 3.127 3.648 . 0 0 "[ . 1 . 2]" 1
91 1 19 VAL HB 1 90 SER QB . . 4.370 3.522 2.292 4.415 0.045 19 0 "[ . 1 . 2]" 1
92 1 19 VAL QG 1 20 VAL H . . 3.710 2.566 2.190 3.245 . 0 0 "[ . 1 . 2]" 1
93 1 19 VAL QG 1 21 ASN HD21 . . 4.580 3.201 2.101 4.656 0.076 15 0 "[ . 1 . 2]" 1
94 1 19 VAL QG 1 21 ASN HD22 . . 4.710 2.590 1.826 3.577 . 0 0 "[ . 1 . 2]" 1
95 1 19 VAL QG 1 60 GLN HB2 . . 4.140 3.933 3.448 4.138 . 0 0 "[ . 1 . 2]" 1
96 1 19 VAL QG 1 60 GLN HB3 . . 3.910 3.113 2.091 3.880 . 0 0 "[ . 1 . 2]" 1
97 1 19 VAL QG 1 60 GLN QG . . 4.010 2.015 1.786 3.243 . 0 0 "[ . 1 . 2]" 1
98 1 19 VAL QG 1 62 LEU HA . . 4.520 3.334 2.834 3.855 . 0 0 "[ . 1 . 2]" 1
99 1 19 VAL QG 1 62 LEU HG . . 5.290 2.852 1.974 4.720 . 0 0 "[ . 1 . 2]" 1
100 1 19 VAL QG 1 90 SER H . . 5.500 3.046 1.922 4.135 . 0 0 "[ . 1 . 2]" 1
101 1 19 VAL QG 1 90 SER QB . . 4.220 2.769 1.777 3.758 . 0 0 "[ . 1 . 2]" 1
102 1 19 VAL QG 1 91 GLY HA2 . . 4.600 3.434 2.983 4.051 . 0 0 "[ . 1 . 2]" 1
103 1 19 VAL QG 1 92 PRO HA . . 4.090 3.179 2.177 3.989 . 0 0 "[ . 1 . 2]" 1
104 1 19 VAL QG 1 92 PRO HB2 . . 4.610 4.077 3.342 4.565 . 0 0 "[ . 1 . 2]" 1
105 1 19 VAL QG 1 92 PRO HB3 . . 3.900 2.990 2.115 3.705 . 0 0 "[ . 1 . 2]" 1
106 1 19 VAL QG 1 92 PRO QD . . 4.430 2.599 1.894 3.854 . 0 0 "[ . 1 . 2]" 1
107 1 19 VAL QG 1 92 PRO HG3 . . 4.770 2.994 1.795 4.736 . 0 0 "[ . 1 . 2]" 1
108 1 19 VAL QG 1 93 SER H . . 4.920 4.542 2.744 4.862 . 0 0 "[ . 1 . 2]" 1
109 1 20 VAL H 1 20 VAL HB . . 3.890 2.393 2.246 2.554 . 0 0 "[ . 1 . 2]" 1
110 1 20 VAL H 1 20 VAL MG1 . . 3.860 3.712 3.570 3.790 . 0 0 "[ . 1 . 2]" 1
111 1 20 VAL H 1 20 VAL MG2 . . 3.540 2.822 2.327 3.084 . 0 0 "[ . 1 . 2]" 1
112 1 20 VAL H 1 61 MET H . . 4.450 2.934 2.663 3.477 . 0 0 "[ . 1 . 2]" 1
113 1 20 VAL H 1 62 LEU HA . . 4.880 3.488 2.526 3.847 . 0 0 "[ . 1 . 2]" 1
114 1 20 VAL H 1 63 VAL H . . 5.020 4.041 3.148 4.573 . 0 0 "[ . 1 . 2]" 1
115 1 20 VAL HA 1 20 VAL MG2 . . 3.700 2.227 2.098 2.367 . 0 0 "[ . 1 . 2]" 1
116 1 20 VAL HA 1 21 ASN H . . 3.490 2.247 2.185 2.314 . 0 0 "[ . 1 . 2]" 1
117 1 20 VAL HA 1 89 ILE HA . . 3.870 2.297 2.031 2.426 . 0 0 "[ . 1 . 2]" 1
118 1 20 VAL HA 1 89 ILE MG . . 4.290 3.356 3.089 3.769 . 0 0 "[ . 1 . 2]" 1
119 1 20 VAL HB 1 21 ASN H . . 5.500 4.212 3.975 4.415 . 0 0 "[ . 1 . 2]" 1
120 1 20 VAL HB 1 61 MET H . . 4.120 3.973 3.466 4.214 0.094 15 0 "[ . 1 . 2]" 1
121 1 20 VAL HB 1 61 MET HB2 . . 3.700 3.551 2.956 4.226 0.526 9 1 "[ . +1 . 2]" 1
122 1 20 VAL HB 1 61 MET HB3 . . 4.360 2.023 1.855 2.662 . 0 0 "[ . 1 . 2]" 1
123 1 20 VAL HB 1 63 VAL QG . . 4.520 3.138 2.418 3.680 . 0 0 "[ . 1 . 2]" 1
124 1 20 VAL MG1 1 21 ASN H . . 3.910 2.304 1.923 2.688 . 0 0 "[ . 1 . 2]" 1
125 1 20 VAL MG1 1 21 ASN HA . . 4.500 3.327 3.134 3.595 . 0 0 "[ . 1 . 2]" 1
126 1 20 VAL MG1 1 33 PHE QD . . 4.960 4.376 3.630 4.813 . 0 0 "[ . 1 . 2]" 1
127 1 20 VAL MG1 1 33 PHE QE . . 3.660 2.522 1.970 3.051 . 0 0 "[ . 1 . 2]" 1
128 1 20 VAL MG1 1 33 PHE HZ . . 3.450 2.897 2.244 3.259 . 0 0 "[ . 1 . 2]" 1
129 1 20 VAL MG1 1 61 MET H . . 4.960 4.721 4.027 5.008 0.048 6 0 "[ . 1 . 2]" 1
130 1 20 VAL MG1 1 61 MET QG . . 3.520 3.473 2.943 3.662 0.142 14 0 "[ . 1 . 2]" 1
131 1 20 VAL MG1 1 89 ILE HG13 . . 3.510 3.024 2.360 3.499 . 0 0 "[ . 1 . 2]" 1
132 1 20 VAL MG2 1 21 ASN H . . 3.930 3.886 3.703 4.004 0.074 20 0 "[ . 1 . 2]" 1
133 1 20 VAL MG2 1 61 MET H . . 5.020 5.005 4.806 5.129 0.109 14 0 "[ . 1 . 2]" 1
134 1 20 VAL MG2 1 61 MET HB2 . . 4.950 4.870 4.517 5.271 0.321 9 0 "[ . 1 . 2]" 1
135 1 20 VAL MG2 1 63 VAL H . . 5.320 3.460 2.898 3.766 . 0 0 "[ . 1 . 2]" 1
136 1 20 VAL MG2 1 63 VAL HB . . 4.790 3.005 2.427 3.653 . 0 0 "[ . 1 . 2]" 1
137 1 20 VAL MG2 1 63 VAL QG . . 2.400 2.148 1.840 2.405 0.005 9 0 "[ . 1 . 2]" 1
138 1 20 VAL MG2 1 89 ILE HA . . 4.450 3.038 2.687 3.640 . 0 0 "[ . 1 . 2]" 1
139 1 20 VAL MG2 1 89 ILE HG12 . . 4.660 1.973 1.776 2.250 . 0 0 "[ . 1 . 2]" 1
140 1 20 VAL MG2 1 89 ILE HG13 . . 3.900 2.765 1.953 3.547 . 0 0 "[ . 1 . 2]" 1
141 1 21 ASN H 1 21 ASN HB2 . . 4.180 2.760 2.415 3.203 . 0 0 "[ . 1 . 2]" 1
142 1 21 ASN H 1 21 ASN HB3 . . 4.170 3.746 3.381 3.995 . 0 0 "[ . 1 . 2]" 1
143 1 21 ASN H 1 88 LYS H . . 2.790 2.750 2.547 2.831 0.041 9 0 "[ . 1 . 2]" 1
144 1 21 ASN H 1 88 LYS HB3 . . 5.120 3.682 3.413 4.057 . 0 0 "[ . 1 . 2]" 1
145 1 21 ASN H 1 89 ILE HA . . 4.750 3.439 3.045 3.598 . 0 0 "[ . 1 . 2]" 1
146 1 21 ASN HA 1 22 LEU H . . 3.370 2.515 2.283 2.663 . 0 0 "[ . 1 . 2]" 1
147 1 21 ASN HA 1 22 LEU HB2 . . 4.830 4.527 4.329 4.730 . 0 0 "[ . 1 . 2]" 1
148 1 21 ASN HA 1 33 PHE QD . . 4.700 4.502 3.903 4.736 0.036 6 0 "[ . 1 . 2]" 1
149 1 21 ASN HA 1 33 PHE QE . . 4.270 3.683 3.292 4.111 . 0 0 "[ . 1 . 2]" 1
150 1 21 ASN HA 1 61 MET H . . 5.490 4.621 4.065 5.136 . 0 0 "[ . 1 . 2]" 1
151 1 21 ASN HB2 1 22 LEU H . . 4.160 3.806 3.472 4.006 . 0 0 "[ . 1 . 2]" 1
152 1 21 ASN HB2 1 88 LYS H . . 4.350 4.136 3.614 4.383 0.033 8 0 "[ . 1 . 2]" 1
153 1 21 ASN HB2 1 88 LYS HB2 . . 4.940 4.307 3.541 4.826 . 0 0 "[ . 1 . 2]" 1
154 1 21 ASN HB2 1 88 LYS HB3 . . 4.780 2.921 2.370 3.228 . 0 0 "[ . 1 . 2]" 1
155 1 21 ASN HB3 1 22 LEU H . . 4.310 2.575 2.211 3.354 . 0 0 "[ . 1 . 2]" 1
156 1 21 ASN HB3 1 22 LEU HB2 . . 5.310 4.819 4.501 5.181 . 0 0 "[ . 1 . 2]" 1
157 1 21 ASN HB3 1 88 LYS HB3 . . 5.200 3.958 3.059 4.926 . 0 0 "[ . 1 . 2]" 1
158 1 22 LEU H 1 22 LEU HB2 . . 3.530 2.351 2.083 2.447 . 0 0 "[ . 1 . 2]" 1
159 1 22 LEU H 1 22 LEU HB3 . . 3.560 3.563 3.395 3.626 0.066 12 0 "[ . 1 . 2]" 1
160 1 22 LEU H 1 22 LEU QD . . 5.200 2.980 2.141 3.685 . 0 0 "[ . 1 . 2]" 1
161 1 22 LEU H 1 22 LEU HG . . 4.360 3.473 2.754 4.400 0.040 14 0 "[ . 1 . 2]" 1
162 1 22 LEU H 1 33 PHE QE . . 5.500 4.758 3.834 5.509 0.009 12 0 "[ . 1 . 2]" 1
163 1 22 LEU HA 1 22 LEU QD . . 3.610 2.140 1.867 2.561 . 0 0 "[ . 1 . 2]" 1
164 1 22 LEU HA 1 22 LEU HG . . 3.930 2.921 2.414 3.474 . 0 0 "[ . 1 . 2]" 1
165 1 22 LEU HA 1 23 GLN H . . 3.210 2.251 2.185 2.365 . 0 0 "[ . 1 . 2]" 1
166 1 22 LEU HA 1 23 GLN HA . . 5.500 4.280 4.261 4.297 . 0 0 "[ . 1 . 2]" 1
167 1 22 LEU HA 1 87 VAL HA . . 4.100 2.357 2.188 2.533 . 0 0 "[ . 1 . 2]" 1
168 1 22 LEU HA 1 87 VAL QG . . 4.020 3.315 2.775 3.825 . 0 0 "[ . 1 . 2]" 1
169 1 22 LEU HB2 1 23 GLN H . . 5.500 4.246 3.907 4.474 . 0 0 "[ . 1 . 2]" 1
170 1 22 LEU HB2 1 25 PRO QB . . 3.530 2.177 1.978 2.447 . 0 0 "[ . 1 . 2]" 1
171 1 22 LEU HB2 1 25 PRO HD2 . . 4.870 4.631 4.298 4.909 0.039 20 0 "[ . 1 . 2]" 1
172 1 22 LEU HB2 1 25 PRO HD3 . . 4.390 3.406 3.039 3.680 . 0 0 "[ . 1 . 2]" 1
173 1 22 LEU HB3 1 23 GLN H . . 4.150 3.160 2.745 3.500 . 0 0 "[ . 1 . 2]" 1
174 1 22 LEU HB3 1 24 SER H . . 4.660 3.369 2.839 3.812 . 0 0 "[ . 1 . 2]" 1
175 1 22 LEU HB3 1 25 PRO QB . . 4.550 2.568 2.160 2.932 . 0 0 "[ . 1 . 2]" 1
176 1 22 LEU HB3 1 25 PRO HD2 . . 4.720 4.458 4.086 4.724 0.004 12 0 "[ . 1 . 2]" 1
177 1 22 LEU HB3 1 25 PRO HD3 . . 4.350 3.030 2.697 3.332 . 0 0 "[ . 1 . 2]" 1
178 1 22 LEU QD 1 23 GLN H . . 5.500 3.518 2.967 4.114 . 0 0 "[ . 1 . 2]" 1
179 1 22 LEU QD 1 25 PRO HA . . 4.000 2.803 2.512 3.148 . 0 0 "[ . 1 . 2]" 1
180 1 22 LEU QD 1 25 PRO QB . . 4.460 2.071 1.883 2.586 . 0 0 "[ . 1 . 2]" 1
181 1 22 LEU QD 1 29 GLU HB2 . . 4.170 3.289 2.984 3.611 . 0 0 "[ . 1 . 2]" 1
182 1 22 LEU QD 1 29 GLU HB3 . . 4.290 2.800 2.207 3.998 . 0 0 "[ . 1 . 2]" 1
183 1 22 LEU QD 1 29 GLU HG2 . . 3.870 2.520 1.862 3.830 . 0 0 "[ . 1 . 2]" 1
184 1 22 LEU QD 1 29 GLU HG3 . . 4.160 3.048 1.920 3.683 . 0 0 "[ . 1 . 2]" 1
185 1 22 LEU QD 1 33 PHE QD . . 5.500 3.693 3.115 4.242 . 0 0 "[ . 1 . 2]" 1
186 1 22 LEU QD 1 33 PHE QE . . 3.910 2.825 2.024 3.512 . 0 0 "[ . 1 . 2]" 1
187 1 22 LEU QD 1 33 PHE HZ . . 4.640 3.040 2.515 3.595 . 0 0 "[ . 1 . 2]" 1
188 1 22 LEU QD 1 34 PRO HD2 . . 4.180 3.214 2.822 3.531 . 0 0 "[ . 1 . 2]" 1
189 1 22 LEU QD 1 34 PRO HD3 . . 3.830 3.465 3.168 3.777 . 0 0 "[ . 1 . 2]" 1
190 1 22 LEU QD 1 34 PRO HG2 . . 4.070 3.666 2.977 3.974 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU QD 1 34 PRO HG3 . . 4.710 3.804 3.001 4.041 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU QD 1 85 ARG HB2 . . 5.500 3.688 3.276 4.093 . 0 0 "[ . 1 . 2]" 1
193 1 22 LEU QD 1 85 ARG HB3 . . 4.080 2.895 2.379 3.346 . 0 0 "[ . 1 . 2]" 1
194 1 22 LEU QD 1 85 ARG QD . . 4.160 3.088 1.985 4.123 . 0 0 "[ . 1 . 2]" 1
195 1 22 LEU QD 1 85 ARG HG3 . . 4.810 3.714 2.457 4.566 . 0 0 "[ . 1 . 2]" 1
196 1 22 LEU QD 1 87 VAL HA . . 5.130 2.781 2.218 3.526 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU QD 1 87 VAL QG . . 3.280 2.345 1.844 2.939 . 0 0 "[ . 1 . 2]" 1
198 1 22 LEU HG 1 29 GLU HB3 . . 5.500 5.101 4.047 5.716 0.216 15 0 "[ . 1 . 2]" 1
199 1 22 LEU HG 1 33 PHE QE . . 4.750 3.942 2.583 4.785 0.035 10 0 "[ . 1 . 2]" 1
200 1 23 GLN H 1 23 GLN HB2 . . 4.000 2.280 2.147 2.541 . 0 0 "[ . 1 . 2]" 1
201 1 23 GLN H 1 23 GLN HB3 . . 4.030 3.513 3.446 3.569 . 0 0 "[ . 1 . 2]" 1
202 1 23 GLN H 1 23 GLN QG . . 4.200 2.662 2.265 2.999 . 0 0 "[ . 1 . 2]" 1
203 1 23 GLN H 1 24 SER H . . 4.170 2.652 2.243 2.966 . 0 0 "[ . 1 . 2]" 1
204 1 23 GLN H 1 87 VAL HA . . 3.990 2.881 2.321 3.369 . 0 0 "[ . 1 . 2]" 1
205 1 23 GLN HA 1 23 GLN QG . . 3.660 2.212 2.074 2.635 . 0 0 "[ . 1 . 2]" 1
206 1 23 GLN HB2 1 24 SER H . . 4.390 2.597 2.325 3.021 . 0 0 "[ . 1 . 2]" 1
207 1 23 GLN HB2 1 86 ALA MB . . 4.060 1.981 1.804 2.178 . 0 0 "[ . 1 . 2]" 1
208 1 23 GLN HB3 1 23 GLN HE22 . . 5.500 4.041 3.337 4.578 . 0 0 "[ . 1 . 2]" 1
209 1 23 GLN HB3 1 24 SER H . . 5.180 3.331 2.983 4.005 . 0 0 "[ . 1 . 2]" 1
210 1 23 GLN HB3 1 86 ALA MB . . 3.990 2.878 2.648 3.384 . 0 0 "[ . 1 . 2]" 1
211 1 23 GLN HE21 1 86 ALA MB . . 5.500 3.766 1.962 4.907 . 0 0 "[ . 1 . 2]" 1
212 1 23 GLN HE22 1 86 ALA MB . . 5.160 4.254 2.689 5.153 . 0 0 "[ . 1 . 2]" 1
213 1 23 GLN QG 1 24 SER H . . 5.500 4.189 3.994 4.412 . 0 0 "[ . 1 . 2]" 1
214 1 23 GLN QG 1 86 ALA H . . 5.500 4.874 3.870 5.447 . 0 0 "[ . 1 . 2]" 1
215 1 23 GLN QG 1 86 ALA MB . . 3.770 2.318 1.818 2.787 . 0 0 "[ . 1 . 2]" 1
216 1 23 GLN QG 1 87 VAL HA . . 4.610 3.558 3.085 3.895 . 0 0 "[ . 1 . 2]" 1
217 1 23 GLN QG 1 87 VAL QG . . 4.970 4.214 3.980 4.432 . 0 0 "[ . 1 . 2]" 1
218 1 23 GLN QG 1 88 LYS H . . 5.470 4.023 3.559 4.354 . 0 0 "[ . 1 . 2]" 1
219 1 23 GLN QG 1 88 LYS HB2 . . 4.030 2.268 1.917 2.703 . 0 0 "[ . 1 . 2]" 1
220 1 23 GLN QG 1 88 LYS HD3 . . 3.980 3.351 2.435 4.167 0.187 12 0 "[ . 1 . 2]" 1
221 1 24 SER H 1 25 PRO HD2 . . 4.890 4.164 3.931 4.345 . 0 0 "[ . 1 . 2]" 1
222 1 24 SER H 1 25 PRO HD3 . . 4.780 2.969 2.664 3.212 . 0 0 "[ . 1 . 2]" 1
223 1 24 SER HA 1 25 PRO HD2 . . 2.920 2.330 2.283 2.408 . 0 0 "[ . 1 . 2]" 1
224 1 24 SER HA 1 25 PRO HD3 . . 3.770 2.574 2.485 2.700 . 0 0 "[ . 1 . 2]" 1
225 1 25 PRO QB 1 26 THR H . . 3.930 2.703 2.076 3.080 . 0 0 "[ . 1 . 2]" 1
226 1 25 PRO QB 1 30 LYS H . . 4.200 3.358 2.853 3.722 . 0 0 "[ . 1 . 2]" 1
227 1 25 PRO QB 1 30 LYS HA . . 4.460 3.816 3.203 4.352 . 0 0 "[ . 1 . 2]" 1
228 1 25 PRO HG2 1 30 LYS HA . . 5.500 4.121 3.263 4.973 . 0 0 "[ . 1 . 2]" 1
229 1 25 PRO HG2 1 30 LYS QD . . 4.740 3.731 2.278 4.752 0.012 9 0 "[ . 1 . 2]" 1
230 1 25 PRO HG2 1 30 LYS HG2 . . 5.500 4.219 2.771 6.446 0.946 9 2 "[ . +- . 2]" 1
231 1 26 THR H 1 26 THR MG . . 3.750 3.298 2.145 3.816 0.066 7 0 "[ . 1 . 2]" 1
232 1 26 THR H 1 28 GLU QG . . 3.810 3.537 3.407 3.660 . 0 0 "[ . 1 . 2]" 1
233 1 26 THR H 1 29 GLU H . . 5.030 3.161 2.908 3.299 . 0 0 "[ . 1 . 2]" 1
234 1 26 THR H 1 29 GLU HA . . 5.500 4.894 4.792 5.059 . 0 0 "[ . 1 . 2]" 1
235 1 26 THR H 1 29 GLU HB2 . . 4.550 2.274 1.942 3.130 . 0 0 "[ . 1 . 2]" 1
236 1 26 THR H 1 29 GLU HB3 . . 3.740 3.212 2.076 3.747 0.007 19 0 "[ . 1 . 2]" 1
237 1 26 THR HA 1 26 THR MG . . 3.710 2.299 2.070 3.223 . 0 0 "[ . 1 . 2]" 1
238 1 26 THR HA 1 27 LEU H . . 3.570 2.683 2.487 2.926 . 0 0 "[ . 1 . 2]" 1
239 1 26 THR HB 1 27 LEU H . . 3.450 2.739 1.945 3.525 0.075 19 0 "[ . 1 . 2]" 1
240 1 26 THR HB 1 28 GLU H . . 4.330 3.171 2.536 4.438 0.108 19 0 "[ . 1 . 2]" 1
241 1 26 THR MG 1 27 LEU H . . 4.220 2.568 1.809 3.937 . 0 0 "[ . 1 . 2]" 1
242 1 26 THR MG 1 28 GLU H . . 5.500 3.603 1.844 5.008 . 0 0 "[ . 1 . 2]" 1
243 1 26 THR MG 1 29 GLU H . . 5.500 4.286 1.955 4.894 . 0 0 "[ . 1 . 2]" 1
244 1 27 LEU H 1 27 LEU HB2 . . 3.640 2.220 2.142 2.365 . 0 0 "[ . 1 . 2]" 1
245 1 27 LEU H 1 27 LEU HB3 . . 3.470 3.481 3.443 3.523 0.053 11 0 "[ . 1 . 2]" 1
246 1 27 LEU H 1 27 LEU MD1 . . 4.910 2.860 1.915 3.911 . 0 0 "[ . 1 . 2]" 1
247 1 27 LEU H 1 27 LEU MD2 . . 5.500 3.621 1.929 4.209 . 0 0 "[ . 1 . 2]" 1
248 1 27 LEU H 1 27 LEU HG . . 3.920 3.233 2.391 3.898 . 0 0 "[ . 1 . 2]" 1
249 1 27 LEU HA 1 27 LEU MD1 . . 4.230 3.162 2.020 3.869 . 0 0 "[ . 1 . 2]" 1
250 1 27 LEU HA 1 27 LEU MD2 . . 4.060 2.945 2.092 3.847 . 0 0 "[ . 1 . 2]" 1
251 1 27 LEU HA 1 27 LEU HG . . 3.880 2.643 2.171 3.676 . 0 0 "[ . 1 . 2]" 1
252 1 27 LEU HA 1 30 LYS H . . 5.160 3.205 2.901 3.430 . 0 0 "[ . 1 . 2]" 1
253 1 27 LEU HA 1 30 LYS HB2 . . 3.660 2.278 2.006 4.003 0.343 10 0 "[ . 1 . 2]" 1
254 1 27 LEU HA 1 30 LYS QD . . 4.240 3.444 2.410 4.254 0.014 9 0 "[ . 1 . 2]" 1
255 1 27 LEU HA 1 30 LYS QE . . 5.500 4.056 2.142 5.249 . 0 0 "[ . 1 . 2]" 1
256 1 27 LEU HA 1 30 LYS HG2 . . 5.000 4.523 3.416 5.019 0.019 11 0 "[ . 1 . 2]" 1
257 1 27 LEU HB2 1 28 GLU H . . 3.700 2.743 2.432 3.010 . 0 0 "[ . 1 . 2]" 1
258 1 27 LEU HB2 1 28 GLU HA . . 4.630 4.574 4.367 4.673 0.043 13 0 "[ . 1 . 2]" 1
259 1 27 LEU HB2 1 29 GLU H . . 5.500 5.105 4.803 5.360 . 0 0 "[ . 1 . 2]" 1
260 1 27 LEU HB3 1 27 LEU MD2 . . 3.610 2.334 1.963 3.220 . 0 0 "[ . 1 . 2]" 1
261 1 27 LEU HB3 1 28 GLU H . . 4.010 3.360 2.761 3.735 . 0 0 "[ . 1 . 2]" 1
262 1 27 LEU HB3 1 28 GLU HA . . 4.640 4.130 3.891 4.340 . 0 0 "[ . 1 . 2]" 1
263 1 27 LEU MD1 1 28 GLU H . . 4.700 4.336 3.868 4.846 0.146 18 0 "[ . 1 . 2]" 1
264 1 27 LEU MD2 1 30 LYS QE . . 5.500 4.460 2.336 6.170 0.670 19 2 "[ . 1 . +-]" 1
265 1 28 GLU H 1 28 GLU QB . . 3.430 2.509 2.373 2.663 . 0 0 "[ . 1 . 2]" 1
266 1 28 GLU H 1 28 GLU QG . . 4.240 2.056 1.880 2.416 . 0 0 "[ . 1 . 2]" 1
267 1 28 GLU H 1 29 GLU H . . 3.840 2.808 2.543 3.140 . 0 0 "[ . 1 . 2]" 1
268 1 28 GLU H 1 30 LYS H . . 4.890 4.158 3.629 4.439 . 0 0 "[ . 1 . 2]" 1
269 1 28 GLU HA 1 28 GLU QG . . 3.850 3.322 3.289 3.346 . 0 0 "[ . 1 . 2]" 1
270 1 28 GLU HA 1 30 LYS H . . 4.970 4.627 3.803 4.921 . 0 0 "[ . 1 . 2]" 1
271 1 28 GLU HA 1 31 ASN H . . 3.960 3.743 3.406 3.985 0.025 18 0 "[ . 1 . 2]" 1
272 1 28 GLU HA 1 31 ASN HB2 . . 5.500 3.107 2.707 3.517 . 0 0 "[ . 1 . 2]" 1
273 1 28 GLU HA 1 31 ASN HB3 . . 4.840 4.209 3.593 4.841 0.001 8 0 "[ . 1 . 2]" 1
274 1 28 GLU QB 1 29 GLU H . . 3.710 3.443 3.087 3.720 0.010 19 0 "[ . 1 . 2]" 1
275 1 28 GLU QG 1 29 GLU H . . 3.470 1.965 1.786 2.303 . 0 0 "[ . 1 . 2]" 1
276 1 29 GLU H 1 29 GLU HB2 . . 3.830 2.310 2.147 2.728 . 0 0 "[ . 1 . 2]" 1
277 1 29 GLU H 1 29 GLU HB3 . . 3.580 3.254 2.389 3.554 . 0 0 "[ . 1 . 2]" 1
278 1 29 GLU H 1 29 GLU HG2 . . 4.710 4.216 3.861 4.405 . 0 0 "[ . 1 . 2]" 1
279 1 29 GLU H 1 29 GLU HG3 . . 4.280 3.459 2.496 4.677 0.397 18 0 "[ . 1 . 2]" 1
280 1 29 GLU H 1 30 LYS H . . 3.470 2.477 2.164 2.766 . 0 0 "[ . 1 . 2]" 1
281 1 29 GLU HA 1 29 GLU HG2 . . 3.550 2.779 2.106 3.110 . 0 0 "[ . 1 . 2]" 1
282 1 29 GLU HA 1 29 GLU HG3 . . 3.800 2.585 2.112 3.421 . 0 0 "[ . 1 . 2]" 1
283 1 29 GLU HA 1 31 ASN H . . 4.480 3.704 3.481 4.110 . 0 0 "[ . 1 . 2]" 1
284 1 29 GLU HA 1 32 GLU H . . 4.350 2.957 2.752 3.221 . 0 0 "[ . 1 . 2]" 1
285 1 29 GLU HA 1 34 PRO HD2 . . 4.570 4.284 4.062 4.574 0.004 6 0 "[ . 1 . 2]" 1
286 1 29 GLU HB3 1 29 GLU HG3 . . 3.010 2.890 2.756 2.974 . 0 0 "[ . 1 . 2]" 1
287 1 29 GLU HB3 1 30 LYS H . . 4.220 3.283 2.412 4.198 . 0 0 "[ . 1 . 2]" 1
288 1 29 GLU HG2 1 34 PRO HD2 . . 2.980 3.058 2.824 3.854 0.874 18 1 "[ . 1 . + 2]" 1
289 1 29 GLU HG2 1 34 PRO HD3 . . 3.070 2.181 1.984 2.612 . 0 0 "[ . 1 . 2]" 1
290 1 29 GLU HG3 1 34 PRO HD3 . . 2.830 2.225 1.994 2.804 . 0 0 "[ . 1 . 2]" 1
291 1 30 LYS H 1 30 LYS HB2 . . 3.430 2.212 2.003 3.090 . 0 0 "[ . 1 . 2]" 1
292 1 30 LYS H 1 30 LYS HB3 . . 3.820 3.278 2.098 3.513 . 0 0 "[ . 1 . 2]" 1
293 1 30 LYS H 1 30 LYS HG2 . . 4.870 3.897 2.971 4.489 . 0 0 "[ . 1 . 2]" 1
294 1 30 LYS H 1 30 LYS HG3 . . 3.930 3.355 2.520 4.323 0.393 10 0 "[ . 1 . 2]" 1
295 1 30 LYS HA 1 30 LYS QD . . 3.660 3.475 2.977 3.735 0.075 10 0 "[ . 1 . 2]" 1
296 1 30 LYS HA 1 30 LYS HG2 . . 4.200 2.767 2.001 3.771 . 0 0 "[ . 1 . 2]" 1
297 1 30 LYS HA 1 30 LYS HG3 . . 4.100 2.547 1.932 3.395 . 0 0 "[ . 1 . 2]" 1
298 1 30 LYS HA 1 32 GLU H . . 5.060 4.734 4.386 5.017 . 0 0 "[ . 1 . 2]" 1
299 1 30 LYS HB2 1 30 LYS QD . . 2.730 2.415 1.985 3.101 0.371 18 0 "[ . 1 . 2]" 1
300 1 30 LYS HB3 1 30 LYS QD . . 3.620 2.688 1.972 3.383 . 0 0 "[ . 1 . 2]" 1
301 1 30 LYS HB3 1 31 ASN H . . 4.250 3.671 3.107 4.065 . 0 0 "[ . 1 . 2]" 1
302 1 30 LYS QD 1 30 LYS HG3 . . 2.400 2.353 2.195 2.568 0.168 2 0 "[ . 1 . 2]" 1
303 1 31 ASN H 1 31 ASN HB2 . . 4.130 2.183 2.079 2.503 . 0 0 "[ . 1 . 2]" 1
304 1 31 ASN H 1 31 ASN HB3 . . 3.700 3.194 2.732 3.631 . 0 0 "[ . 1 . 2]" 1
305 1 31 ASN H 1 32 GLU H . . 2.510 2.354 2.189 2.520 0.010 10 0 "[ . 1 . 2]" 1
306 1 31 ASN HB2 1 32 GLU H . . 5.330 2.977 2.335 3.581 . 0 0 "[ . 1 . 2]" 1
307 1 31 ASN HB3 1 32 GLU H . . 5.500 2.886 2.419 3.558 . 0 0 "[ . 1 . 2]" 1
308 1 32 GLU H 1 32 GLU HG3 . . 4.520 4.420 3.080 5.228 0.708 17 2 "[ . 1 .-+ 2]" 1
309 1 32 GLU H 1 33 PHE H . . 5.030 4.121 3.960 4.258 . 0 0 "[ . 1 . 2]" 1
310 1 32 GLU HA 1 32 GLU HG2 . . 4.250 2.786 2.000 3.760 . 0 0 "[ . 1 . 2]" 1
311 1 32 GLU HA 1 32 GLU HG3 . . 3.790 2.809 2.000 4.092 0.302 8 0 "[ . 1 . 2]" 1
312 1 32 GLU HA 1 33 PHE H . . 3.230 2.271 2.218 2.381 . 0 0 "[ . 1 . 2]" 1
313 1 32 GLU HA 1 33 PHE HB2 . . 5.500 4.217 4.166 4.276 . 0 0 "[ . 1 . 2]" 1
314 1 32 GLU QB 1 33 PHE H . . 4.840 3.363 2.973 3.757 . 0 0 "[ . 1 . 2]" 1
315 1 32 GLU HG3 1 33 PHE H . . 5.410 3.918 2.224 5.090 . 0 0 "[ . 1 . 2]" 1
316 1 33 PHE H 1 33 PHE HB2 . . 3.820 2.005 1.947 2.082 . 0 0 "[ . 1 . 2]" 1
317 1 33 PHE H 1 33 PHE HB3 . . 3.900 2.829 2.727 2.988 . 0 0 "[ . 1 . 2]" 1
318 1 33 PHE H 1 33 PHE QD . . 5.230 3.824 3.640 3.964 . 0 0 "[ . 1 . 2]" 1
319 1 33 PHE H 1 56 ILE MG . . 4.710 4.033 3.130 4.671 . 0 0 "[ . 1 . 2]" 1
320 1 33 PHE HA 1 33 PHE QD . . 4.210 3.037 2.848 3.125 . 0 0 "[ . 1 . 2]" 1
321 1 33 PHE HA 1 34 PRO HD2 . . 3.140 2.403 2.332 2.501 . 0 0 "[ . 1 . 2]" 1
322 1 33 PHE HA 1 34 PRO HD3 . . 3.450 1.927 1.921 1.942 . 0 0 "[ . 1 . 2]" 1
323 1 33 PHE HA 1 34 PRO HG3 . . 4.950 4.193 4.190 4.200 . 0 0 "[ . 1 . 2]" 1
324 1 33 PHE HB2 1 56 ILE MD . . 4.840 3.274 2.040 4.848 0.008 1 0 "[ . 1 . 2]" 1
325 1 33 PHE HB2 1 56 ILE MG . . 4.180 3.564 2.463 4.002 . 0 0 "[ . 1 . 2]" 1
326 1 33 PHE HB3 1 38 ARG QD . . 4.660 2.373 1.969 3.732 . 0 0 "[ . 1 . 2]" 1
327 1 33 PHE HB3 1 56 ILE MD . . 4.500 2.618 1.772 4.387 . 0 0 "[ . 1 . 2]" 1
328 1 33 PHE HB3 1 56 ILE MG . . 4.180 3.424 2.389 3.991 . 0 0 "[ . 1 . 2]" 1
329 1 33 PHE QD 1 34 PRO HD2 . . 5.310 2.519 1.995 3.075 . 0 0 "[ . 1 . 2]" 1
330 1 33 PHE QD 1 34 PRO HD3 . . 4.660 3.723 3.347 4.003 . 0 0 "[ . 1 . 2]" 1
331 1 33 PHE QD 1 34 PRO HG3 . . 5.500 4.927 4.531 5.327 . 0 0 "[ . 1 . 2]" 1
332 1 33 PHE QD 1 38 ARG H . . 5.050 2.961 2.637 3.265 . 0 0 "[ . 1 . 2]" 1
333 1 33 PHE QD 1 38 ARG HB3 . . 4.430 4.356 2.531 5.231 0.801 7 5 "[ * . + 1 * -* 2]" 1
334 1 33 PHE QD 1 38 ARG QD . . 4.360 2.150 1.837 2.631 . 0 0 "[ . 1 . 2]" 1
335 1 33 PHE QD 1 38 ARG HG2 . . 4.770 3.816 3.529 4.333 . 0 0 "[ . 1 . 2]" 1
336 1 33 PHE QD 1 42 MET ME . . 4.820 4.758 4.493 4.889 0.069 18 0 "[ . 1 . 2]" 1
337 1 33 PHE QD 1 56 ILE MD . . 4.540 3.437 2.146 4.561 0.021 20 0 "[ . 1 . 2]" 1
338 1 33 PHE QD 1 56 ILE MG . . 4.730 4.417 3.676 4.761 0.031 7 0 "[ . 1 . 2]" 1
339 1 33 PHE QD 1 60 GLN HA . . 4.960 4.351 3.609 4.800 . 0 0 "[ . 1 . 2]" 1
340 1 33 PHE QD 1 61 MET H . . 5.500 4.959 3.066 5.518 0.018 11 0 "[ . 1 . 2]" 1
341 1 33 PHE QE 1 37 LEU H . . 4.740 4.003 3.526 4.338 . 0 0 "[ . 1 . 2]" 1
342 1 33 PHE QE 1 37 LEU HB2 . . 3.890 2.554 1.996 3.291 . 0 0 "[ . 1 . 2]" 1
343 1 33 PHE QE 1 37 LEU HB3 . . 4.000 2.579 1.996 3.164 . 0 0 "[ . 1 . 2]" 1
344 1 33 PHE QE 1 38 ARG H . . 5.080 2.480 1.940 2.959 . 0 0 "[ . 1 . 2]" 1
345 1 33 PHE QE 1 38 ARG HA . . 4.240 2.472 2.062 3.010 . 0 0 "[ . 1 . 2]" 1
346 1 33 PHE QE 1 38 ARG HB3 . . 5.290 4.231 1.975 5.148 . 0 0 "[ . 1 . 2]" 1
347 1 33 PHE QE 1 41 LEU QD . . 3.730 3.096 2.334 3.634 . 0 0 "[ . 1 . 2]" 1
348 1 33 PHE QE 1 42 MET ME . . 4.310 4.033 3.814 4.239 . 0 0 "[ . 1 . 2]" 1
349 1 33 PHE QE 1 61 MET H . . 5.500 5.223 4.010 5.533 0.033 4 0 "[ . 1 . 2]" 1
350 1 33 PHE QE 1 61 MET HB3 . . 4.140 3.463 2.486 4.171 0.031 18 0 "[ . 1 . 2]" 1
351 1 33 PHE HZ 1 37 LEU HB3 . . 4.530 3.589 3.181 4.020 . 0 0 "[ . 1 . 2]" 1
352 1 33 PHE HZ 1 41 LEU H . . 5.500 5.337 4.762 5.585 0.085 17 0 "[ . 1 . 2]" 1
353 1 33 PHE HZ 1 41 LEU HB2 . . 4.540 3.663 3.121 4.124 . 0 0 "[ . 1 . 2]" 1
354 1 33 PHE HZ 1 41 LEU QD . . 3.460 2.406 1.846 3.004 . 0 0 "[ . 1 . 2]" 1
355 1 33 PHE HZ 1 42 MET ME . . 4.390 4.316 3.877 4.470 0.080 11 0 "[ . 1 . 2]" 1
356 1 34 PRO HA 1 35 GLU H . . 3.170 2.222 2.166 2.354 . 0 0 "[ . 1 . 2]" 1
357 1 34 PRO HA 1 35 GLU HA . . 5.500 4.204 4.183 4.218 . 0 0 "[ . 1 . 2]" 1
358 1 34 PRO HA 1 35 GLU QG . . 4.990 3.995 3.312 4.815 . 0 0 "[ . 1 . 2]" 1
359 1 34 PRO HB2 1 35 GLU H . . 3.580 3.369 2.924 3.599 0.019 12 0 "[ . 1 . 2]" 1
360 1 34 PRO HB2 1 36 ASP H . . 4.360 2.739 2.256 3.374 . 0 0 "[ . 1 . 2]" 1
361 1 34 PRO HB2 1 36 ASP HA . . 5.500 5.034 4.859 5.300 . 0 0 "[ . 1 . 2]" 1
362 1 34 PRO HB2 1 37 LEU H . . 4.160 2.716 2.522 2.998 . 0 0 "[ . 1 . 2]" 1
363 1 34 PRO HB2 1 37 LEU QD . . 4.160 3.551 3.392 3.665 . 0 0 "[ . 1 . 2]" 1
364 1 34 PRO HB2 1 37 LEU HG . . 3.710 2.885 2.651 3.052 . 0 0 "[ . 1 . 2]" 1
365 1 34 PRO HB3 1 36 ASP H . . 4.690 4.042 3.762 4.557 . 0 0 "[ . 1 . 2]" 1
366 1 34 PRO HB3 1 37 LEU H . . 5.130 4.407 4.230 4.659 . 0 0 "[ . 1 . 2]" 1
367 1 34 PRO HB3 1 37 LEU HB2 . . 5.460 4.581 4.167 5.009 . 0 0 "[ . 1 . 2]" 1
368 1 34 PRO HB3 1 37 LEU QD . . 5.140 4.106 3.920 4.372 . 0 0 "[ . 1 . 2]" 1
369 1 34 PRO HB3 1 37 LEU HG . . 4.360 4.117 3.946 4.287 . 0 0 "[ . 1 . 2]" 1
370 1 34 PRO HD2 1 37 LEU QD . . 4.490 2.813 2.538 3.061 . 0 0 "[ . 1 . 2]" 1
371 1 34 PRO HD3 1 37 LEU QD . . 4.230 3.515 3.220 3.683 . 0 0 "[ . 1 . 2]" 1
372 1 34 PRO HG2 1 37 LEU HB3 . . 4.240 3.397 3.129 3.924 . 0 0 "[ . 1 . 2]" 1
373 1 34 PRO HG2 1 37 LEU QD . . 3.670 2.006 1.883 2.167 . 0 0 "[ . 1 . 2]" 1
374 1 34 PRO HG2 1 37 LEU HG . . 2.880 2.053 1.982 2.390 . 0 0 "[ . 1 . 2]" 1
375 1 34 PRO HG3 1 37 LEU H . . 5.500 4.778 4.489 5.089 . 0 0 "[ . 1 . 2]" 1
376 1 34 PRO HG3 1 37 LEU QD . . 4.120 2.616 2.300 2.986 . 0 0 "[ . 1 . 2]" 1
377 1 35 GLU H 1 35 GLU HB2 . . 3.500 3.241 2.029 3.593 0.093 6 0 "[ . 1 . 2]" 1
378 1 35 GLU H 1 35 GLU HB3 . . 3.460 2.827 2.439 3.572 0.112 3 0 "[ . 1 . 2]" 1
379 1 35 GLU H 1 35 GLU QG . . 4.140 2.230 1.919 3.431 . 0 0 "[ . 1 . 2]" 1
380 1 35 GLU HA 1 37 LEU H . . 5.500 3.703 3.451 3.940 . 0 0 "[ . 1 . 2]" 1
381 1 35 GLU HA 1 38 ARG H . . 5.180 3.091 2.864 3.361 . 0 0 "[ . 1 . 2]" 1
382 1 35 GLU HA 1 38 ARG HB2 . . 4.360 2.534 1.983 4.567 0.207 11 0 "[ . 1 . 2]" 1
383 1 35 GLU HA 1 38 ARG HB3 . . 3.720 3.672 3.539 3.990 0.270 17 0 "[ . 1 . 2]" 1
384 1 35 GLU HA 1 38 ARG QD . . 4.270 1.995 1.927 2.247 . 0 0 "[ . 1 . 2]" 1
385 1 35 GLU HA 1 38 ARG HG2 . . 4.870 3.840 1.869 4.523 . 0 0 "[ . 1 . 2]" 1
386 1 35 GLU HA 1 38 ARG HG3 . . 4.510 3.937 2.838 4.451 . 0 0 "[ . 1 . 2]" 1
387 1 35 GLU HA 1 39 THR H . . 5.500 3.650 3.332 3.996 . 0 0 "[ . 1 . 2]" 1
388 1 35 GLU HB2 1 36 ASP H . . 4.680 3.796 2.526 4.256 . 0 0 "[ . 1 . 2]" 1
389 1 35 GLU HB3 1 36 ASP H . . 4.610 4.038 2.980 4.438 . 0 0 "[ . 1 . 2]" 1
390 1 35 GLU QG 1 36 ASP H . . 5.500 2.778 1.850 4.579 . 0 0 "[ . 1 . 2]" 1
391 1 35 GLU QG 1 36 ASP HA . . 5.500 3.992 3.022 5.585 0.085 3 0 "[ . 1 . 2]" 1
392 1 36 ASP H 1 36 ASP HB2 . . 4.090 2.581 2.004 3.536 . 0 0 "[ . 1 . 2]" 1
393 1 36 ASP H 1 36 ASP HB3 . . 4.050 3.061 2.288 3.557 . 0 0 "[ . 1 . 2]" 1
394 1 36 ASP H 1 37 LEU H . . 3.900 2.537 2.296 2.848 . 0 0 "[ . 1 . 2]" 1
395 1 36 ASP H 1 37 LEU HG . . 5.500 4.537 4.018 4.974 . 0 0 "[ . 1 . 2]" 1
396 1 36 ASP HA 1 38 ARG H . . 5.180 4.915 4.252 5.223 0.043 18 0 "[ . 1 . 2]" 1
397 1 36 ASP HA 1 39 THR H . . 5.080 4.547 4.124 4.835 . 0 0 "[ . 1 . 2]" 1
398 1 36 ASP HB2 1 37 LEU H . . 4.820 3.533 2.970 4.181 . 0 0 "[ . 1 . 2]" 1
399 1 37 LEU H 1 37 LEU HB2 . . 4.050 2.315 2.189 2.440 . 0 0 "[ . 1 . 2]" 1
400 1 37 LEU H 1 37 LEU HB3 . . 3.840 3.545 3.425 3.612 . 0 0 "[ . 1 . 2]" 1
401 1 37 LEU H 1 37 LEU QD . . 4.670 3.311 3.153 3.570 . 0 0 "[ . 1 . 2]" 1
402 1 37 LEU H 1 37 LEU HG . . 3.390 2.923 2.640 3.389 . 0 0 "[ . 1 . 2]" 1
403 1 37 LEU H 1 38 ARG H . . 3.780 2.315 2.150 2.452 . 0 0 "[ . 1 . 2]" 1
404 1 37 LEU H 1 38 ARG QD . . 4.280 4.243 3.790 4.502 0.222 18 0 "[ . 1 . 2]" 1
405 1 37 LEU H 1 39 THR H . . 5.500 4.385 3.742 4.762 . 0 0 "[ . 1 . 2]" 1
406 1 37 LEU HA 1 37 LEU QD . . 3.450 1.926 1.852 2.065 . 0 0 "[ . 1 . 2]" 1
407 1 37 LEU HA 1 37 LEU HG . . 4.120 3.143 2.973 3.250 . 0 0 "[ . 1 . 2]" 1
408 1 37 LEU HA 1 39 THR H . . 5.480 5.017 4.675 5.345 . 0 0 "[ . 1 . 2]" 1
409 1 37 LEU HA 1 40 GLU H . . 4.720 3.571 3.300 3.856 . 0 0 "[ . 1 . 2]" 1
410 1 37 LEU HA 1 40 GLU HB2 . . 3.820 2.642 2.288 3.331 . 0 0 "[ . 1 . 2]" 1
411 1 37 LEU HA 1 40 GLU HB3 . . 4.170 3.499 2.687 4.002 . 0 0 "[ . 1 . 2]" 1
412 1 37 LEU HA 1 82 VAL QG . . 4.640 3.339 3.036 3.828 . 0 0 "[ . 1 . 2]" 1
413 1 37 LEU HA 1 83 LYS QD . . 4.610 3.952 3.438 4.479 . 0 0 "[ . 1 . 2]" 1
414 1 37 LEU HA 1 83 LYS QE . . 5.200 4.426 3.259 5.202 0.002 10 0 "[ . 1 . 2]" 1
415 1 37 LEU HB2 1 37 LEU QD . . 3.170 2.339 2.244 2.460 . 0 0 "[ . 1 . 2]" 1
416 1 37 LEU HB2 1 38 ARG H . . 4.490 2.655 2.462 3.124 . 0 0 "[ . 1 . 2]" 1
417 1 37 LEU HB3 1 37 LEU QD . . 3.180 2.113 2.034 2.151 . 0 0 "[ . 1 . 2]" 1
418 1 37 LEU HB3 1 38 ARG H . . 4.080 3.456 2.903 4.006 . 0 0 "[ . 1 . 2]" 1
419 1 37 LEU HB3 1 82 VAL QG . . 4.160 3.272 2.456 3.900 . 0 0 "[ . 1 . 2]" 1
420 1 37 LEU QD 1 82 VAL HB . . 4.100 3.684 3.159 4.008 . 0 0 "[ . 1 . 2]" 1
421 1 37 LEU QD 1 82 VAL QG . . 3.060 2.089 1.695 2.831 . 0 0 "[ . 1 . 2]" 1
422 1 37 LEU QD 1 83 LYS HB3 . . 3.800 3.088 2.195 3.721 . 0 0 "[ . 1 . 2]" 1
423 1 37 LEU QD 1 83 LYS QD . . 4.030 2.179 1.809 2.927 . 0 0 "[ . 1 . 2]" 1
424 1 37 LEU QD 1 83 LYS QE . . 5.290 3.026 1.914 4.090 . 0 0 "[ . 1 . 2]" 1
425 1 37 LEU QD 1 83 LYS QG . . 5.120 3.062 1.866 4.155 . 0 0 "[ . 1 . 2]" 1
426 1 37 LEU QD 1 85 ARG H . . 5.500 4.430 4.084 4.844 . 0 0 "[ . 1 . 2]" 1
427 1 37 LEU QD 1 85 ARG HB3 . . 5.090 3.670 3.126 4.304 . 0 0 "[ . 1 . 2]" 1
428 1 37 LEU QD 1 85 ARG QD . . 4.280 3.558 2.763 4.064 . 0 0 "[ . 1 . 2]" 1
429 1 37 LEU QD 1 85 ARG HG2 . . 5.120 4.086 2.669 4.939 . 0 0 "[ . 1 . 2]" 1
430 1 37 LEU QD 1 85 ARG HG3 . . 5.220 4.038 2.906 5.061 . 0 0 "[ . 1 . 2]" 1
431 1 38 ARG H 1 38 ARG HB2 . . 4.040 2.500 2.098 3.560 . 0 0 "[ . 1 . 2]" 1
432 1 38 ARG H 1 38 ARG HB3 . . 3.610 3.298 2.488 3.558 . 0 0 "[ . 1 . 2]" 1
433 1 38 ARG H 1 38 ARG QD . . 5.500 2.951 2.449 3.332 . 0 0 "[ . 1 . 2]" 1
434 1 38 ARG H 1 38 ARG HG3 . . 3.930 3.108 2.680 3.519 . 0 0 "[ . 1 . 2]" 1
435 1 38 ARG H 1 39 THR H . . 4.390 3.212 2.900 3.388 . 0 0 "[ . 1 . 2]" 1
436 1 38 ARG HA 1 38 ARG HG3 . . 3.720 2.459 1.998 3.919 0.199 17 0 "[ . 1 . 2]" 1
437 1 38 ARG HA 1 41 LEU H . . 4.660 3.290 2.761 3.620 . 0 0 "[ . 1 . 2]" 1
438 1 38 ARG HA 1 41 LEU HB2 . . 3.340 2.836 2.169 4.308 0.968 9 2 "[ -. +1 . 2]" 1
439 1 38 ARG HA 1 41 LEU HB3 . . 4.280 3.593 2.791 4.274 . 0 0 "[ . 1 . 2]" 1
440 1 38 ARG HA 1 41 LEU QD . . 4.160 3.495 3.169 3.889 . 0 0 "[ . 1 . 2]" 1
441 1 38 ARG HA 1 42 MET ME . . 4.390 2.768 2.357 3.274 . 0 0 "[ . 1 . 2]" 1
442 1 38 ARG HB2 1 38 ARG QD . . 3.780 2.258 1.955 2.596 . 0 0 "[ . 1 . 2]" 1
443 1 38 ARG HB2 1 39 THR H . . 4.040 2.601 2.205 3.531 . 0 0 "[ . 1 . 2]" 1
444 1 38 ARG HB3 1 38 ARG QD . . 3.760 3.036 2.261 3.419 . 0 0 "[ . 1 . 2]" 1
445 1 38 ARG HB3 1 39 THR H . . 4.230 2.758 2.225 3.836 . 0 0 "[ . 1 . 2]" 1
446 1 38 ARG QD 1 56 ILE MD . . 4.190 2.485 1.818 4.153 . 0 0 "[ . 1 . 2]" 1
447 1 38 ARG HG2 1 39 THR H . . 5.500 4.091 1.921 4.887 . 0 0 "[ . 1 . 2]" 1
448 1 38 ARG HG2 1 42 MET HG2 . . 5.500 4.232 3.545 5.079 . 0 0 "[ . 1 . 2]" 1
449 1 39 THR H 1 39 THR HB . . 3.620 2.402 2.025 2.576 . 0 0 "[ . 1 . 2]" 1
450 1 39 THR H 1 39 THR MG . . 4.040 3.602 2.931 3.690 . 0 0 "[ . 1 . 2]" 1
451 1 39 THR H 1 40 GLU H . . 3.580 3.008 2.832 3.272 . 0 0 "[ . 1 . 2]" 1
452 1 39 THR HA 1 42 MET H . . 3.800 3.557 3.157 3.899 0.099 17 0 "[ . 1 . 2]" 1
453 1 39 THR HA 1 42 MET HB2 . . 4.020 2.483 2.022 2.993 . 0 0 "[ . 1 . 2]" 1
454 1 39 THR HA 1 42 MET HB3 . . 4.650 4.055 3.434 4.524 . 0 0 "[ . 1 . 2]" 1
455 1 39 THR HA 1 42 MET HG2 . . 4.840 3.199 2.474 3.884 . 0 0 "[ . 1 . 2]" 1
456 1 39 THR HA 1 42 MET HG3 . . 5.120 3.558 3.013 4.866 . 0 0 "[ . 1 . 2]" 1
457 1 39 THR HA 1 43 GLN H . . 5.310 3.672 3.133 4.415 . 0 0 "[ . 1 . 2]" 1
458 1 39 THR HB 1 40 GLU H . . 3.650 2.760 2.271 3.647 . 0 0 "[ . 1 . 2]" 1
459 1 39 THR MG 1 40 GLU H . . 5.160 3.299 1.966 3.855 . 0 0 "[ . 1 . 2]" 1
460 1 39 THR MG 1 40 GLU HA . . 3.740 3.501 2.901 3.783 0.043 18 0 "[ . 1 . 2]" 1
461 1 39 THR MG 1 40 GLU QG . . 4.730 4.442 3.829 4.730 . 0 0 "[ . 1 . 2]" 1
462 1 39 THR MG 1 42 MET HG2 . . 5.220 5.133 4.516 5.510 0.290 9 0 "[ . 1 . 2]" 1
463 1 40 GLU H 1 40 GLU HB2 . . 3.480 2.161 2.019 2.456 . 0 0 "[ . 1 . 2]" 1
464 1 40 GLU H 1 40 GLU HB3 . . 3.610 3.210 2.783 3.550 . 0 0 "[ . 1 . 2]" 1
465 1 40 GLU H 1 40 GLU QG . . 4.390 3.504 2.100 4.011 . 0 0 "[ . 1 . 2]" 1
466 1 40 GLU H 1 41 LEU H . . 3.720 2.680 2.175 2.982 . 0 0 "[ . 1 . 2]" 1
467 1 40 GLU H 1 42 MET H . . 4.510 4.371 3.844 4.542 0.032 5 0 "[ . 1 . 2]" 1
468 1 40 GLU HA 1 40 GLU QG . . 3.520 2.379 2.077 2.801 . 0 0 "[ . 1 . 2]" 1
469 1 40 GLU HA 1 43 GLN H . . 4.690 3.928 3.686 4.321 . 0 0 "[ . 1 . 2]" 1
470 1 40 GLU HA 1 43 GLN HG2 . . 4.760 3.182 2.017 4.664 . 0 0 "[ . 1 . 2]" 1
471 1 40 GLU HA 1 43 GLN HG3 . . 4.150 3.827 3.326 4.156 0.006 9 0 "[ . 1 . 2]" 1
472 1 40 GLU HB2 1 41 LEU H . . 4.010 3.284 2.675 3.798 . 0 0 "[ . 1 . 2]" 1
473 1 40 GLU HB2 1 82 VAL QG . . 4.150 3.575 3.191 4.100 . 0 0 "[ . 1 . 2]" 1
474 1 40 GLU HB3 1 41 LEU H . . 4.410 3.136 2.544 3.661 . 0 0 "[ . 1 . 2]" 1
475 1 40 GLU HB3 1 82 VAL QG . . 3.340 2.732 2.123 3.322 . 0 0 "[ . 1 . 2]" 1
476 1 40 GLU QG 1 41 LEU H . . 5.500 4.534 4.020 4.838 . 0 0 "[ . 1 . 2]" 1
477 1 40 GLU QG 1 82 VAL QG . . 3.820 3.327 2.281 3.794 . 0 0 "[ . 1 . 2]" 1
478 1 40 GLU QG 1 83 LYS QD . . 4.740 3.665 2.333 4.683 . 0 0 "[ . 1 . 2]" 1
479 1 40 GLU QG 1 83 LYS QG . . 4.910 4.379 2.910 4.921 0.011 5 0 "[ . 1 . 2]" 1
480 1 41 LEU H 1 41 LEU HB2 . . 3.780 2.145 2.025 2.674 . 0 0 "[ . 1 . 2]" 1
481 1 41 LEU H 1 41 LEU HB3 . . 3.490 3.121 2.300 3.396 . 0 0 "[ . 1 . 2]" 1
482 1 41 LEU H 1 41 LEU QD . . 4.280 2.996 2.442 3.733 . 0 0 "[ . 1 . 2]" 1
483 1 41 LEU H 1 41 LEU HG . . 4.410 4.144 3.742 4.470 0.060 9 0 "[ . 1 . 2]" 1
484 1 41 LEU H 1 42 MET H . . 2.650 2.590 2.468 2.688 0.038 10 0 "[ . 1 . 2]" 1
485 1 41 LEU H 1 42 MET ME . . 5.460 4.143 3.609 4.581 . 0 0 "[ . 1 . 2]" 1
486 1 41 LEU H 1 45 LEU MD1 . . 5.500 5.261 4.469 5.601 0.101 9 0 "[ . 1 . 2]" 1
487 1 41 LEU HA 1 41 LEU QD . . 3.350 2.634 1.875 3.100 . 0 0 "[ . 1 . 2]" 1
488 1 41 LEU HA 1 41 LEU HG . . 3.690 2.400 2.119 3.604 . 0 0 "[ . 1 . 2]" 1
489 1 41 LEU HA 1 44 THR HB . . 3.220 2.074 1.984 2.471 . 0 0 "[ . 1 . 2]" 1
490 1 41 LEU HA 1 44 THR MG . . 3.620 3.400 3.179 3.664 0.044 7 0 "[ . 1 . 2]" 1
491 1 41 LEU HA 1 45 LEU H . . 4.110 3.192 2.839 3.761 . 0 0 "[ . 1 . 2]" 1
492 1 41 LEU HA 1 45 LEU MD1 . . 5.500 3.734 2.744 4.175 . 0 0 "[ . 1 . 2]" 1
493 1 41 LEU HA 1 45 LEU HG . . 3.970 3.065 2.726 3.756 . 0 0 "[ . 1 . 2]" 1
494 1 41 LEU HB2 1 41 LEU QD . . 3.140 2.103 1.967 2.523 . 0 0 "[ . 1 . 2]" 1
495 1 41 LEU HB2 1 42 MET H . . 4.380 3.053 2.641 3.973 . 0 0 "[ . 1 . 2]" 1
496 1 41 LEU HB3 1 42 MET H . . 3.970 2.768 2.263 3.020 . 0 0 "[ . 1 . 2]" 1
497 1 41 LEU HB3 1 45 LEU MD1 . . 4.110 2.751 1.956 4.158 0.048 4 0 "[ . 1 . 2]" 1
498 1 41 LEU QD 1 42 MET H . . 5.500 3.791 2.459 4.112 . 0 0 "[ . 1 . 2]" 1
499 1 41 LEU QD 1 42 MET ME . . 3.370 2.909 1.690 3.352 . 0 0 "[ . 1 . 2]" 1
500 1 41 LEU QD 1 44 THR HB . . 4.580 3.837 3.218 4.218 . 0 0 "[ . 1 . 2]" 1
501 1 41 LEU QD 1 45 LEU HG . . 4.420 3.140 1.970 3.761 . 0 0 "[ . 1 . 2]" 1
502 1 41 LEU HG 1 45 LEU MD1 . . 3.560 2.846 1.905 3.661 0.101 7 0 "[ . 1 . 2]" 1
503 1 42 MET H 1 42 MET HB2 . . 3.720 2.578 2.251 2.696 . 0 0 "[ . 1 . 2]" 1
504 1 42 MET H 1 42 MET HB3 . . 4.000 3.526 3.500 3.555 . 0 0 "[ . 1 . 2]" 1
505 1 42 MET H 1 42 MET ME . . 5.500 2.746 2.189 3.120 . 0 0 "[ . 1 . 2]" 1
506 1 42 MET H 1 42 MET HG2 . . 3.950 2.021 1.894 3.921 . 0 0 "[ . 1 . 2]" 1
507 1 42 MET H 1 42 MET HG3 . . 4.590 3.447 3.419 3.535 . 0 0 "[ . 1 . 2]" 1
508 1 42 MET H 1 43 GLN H . . 3.510 2.981 2.785 3.206 . 0 0 "[ . 1 . 2]" 1
509 1 42 MET H 1 61 MET ME . . 4.740 4.413 3.503 4.855 0.115 9 0 "[ . 1 . 2]" 1
510 1 42 MET HA 1 42 MET ME . . 4.980 3.174 2.466 3.725 . 0 0 "[ . 1 . 2]" 1
511 1 42 MET HA 1 45 LEU HB2 . . 4.210 3.595 3.099 3.853 . 0 0 "[ . 1 . 2]" 1
512 1 42 MET HA 1 46 GLY H . . 5.140 3.764 3.249 4.366 . 0 0 "[ . 1 . 2]" 1
513 1 42 MET HA 1 51 ILE MD . . 3.760 2.909 2.600 3.236 . 0 0 "[ . 1 . 2]" 1
514 1 42 MET HB2 1 43 GLN H . . 3.150 2.493 2.111 2.809 . 0 0 "[ . 1 . 2]" 1
515 1 42 MET HB3 1 43 GLN H . . 4.200 3.592 3.255 3.892 . 0 0 "[ . 1 . 2]" 1
516 1 42 MET HB3 1 51 ILE MD . . 5.460 3.664 2.707 4.159 . 0 0 "[ . 1 . 2]" 1
517 1 42 MET ME 1 54 VAL QG . . 3.910 3.059 2.261 3.543 . 0 0 "[ . 1 . 2]" 1
518 1 42 MET ME 1 61 MET HA . . 5.050 4.841 4.458 5.117 0.067 12 0 "[ . 1 . 2]" 1
519 1 42 MET ME 1 61 MET HB3 . . 3.950 4.153 3.813 4.629 0.679 6 2 "[ .+ 1 . - 2]" 1
520 1 42 MET ME 1 61 MET ME . . 3.510 1.776 1.635 2.073 . 0 0 "[ . 1 . 2]" 1
521 1 42 MET ME 1 61 MET QG . . 3.440 2.165 1.855 2.732 . 0 0 "[ . 1 . 2]" 1
522 1 42 MET ME 1 63 VAL HA . . 5.180 4.583 4.036 5.151 . 0 0 "[ . 1 . 2]" 1
523 1 42 MET ME 1 63 VAL QG . . 3.030 2.269 1.745 2.988 . 0 0 "[ . 1 . 2]" 1
524 1 42 MET HG2 1 43 GLN H . . 5.500 4.215 3.957 5.159 . 0 0 "[ . 1 . 2]" 1
525 1 42 MET HG2 1 51 ILE MD . . 5.500 5.170 4.204 5.460 . 0 0 "[ . 1 . 2]" 1
526 1 42 MET HG3 1 51 ILE MD . . 5.380 4.863 2.897 5.284 . 0 0 "[ . 1 . 2]" 1
527 1 42 MET HG3 1 61 MET ME . . 4.340 4.120 3.130 5.222 0.882 17 3 "[ - . 1 . + *2]" 1
528 1 43 GLN H 1 43 GLN HB2 . . 3.720 3.170 2.378 3.603 . 0 0 "[ . 1 . 2]" 1
529 1 43 GLN H 1 43 GLN HB3 . . 3.690 2.804 2.230 3.597 . 0 0 "[ . 1 . 2]" 1
530 1 43 GLN H 1 43 GLN HG2 . . 3.780 2.315 1.976 2.615 . 0 0 "[ . 1 . 2]" 1
531 1 43 GLN H 1 43 GLN HG3 . . 3.830 3.452 3.198 3.727 . 0 0 "[ . 1 . 2]" 1
532 1 43 GLN H 1 44 THR H . . 3.350 2.551 2.294 2.894 . 0 0 "[ . 1 . 2]" 1
533 1 43 GLN HA 1 43 GLN HG2 . . 3.830 3.414 2.665 3.817 . 0 0 "[ . 1 . 2]" 1
534 1 43 GLN HA 1 43 GLN HG3 . . 3.780 3.705 3.617 3.813 0.033 5 0 "[ . 1 . 2]" 1
535 1 43 GLN HA 1 46 GLY H . . 4.930 3.607 2.979 4.285 . 0 0 "[ . 1 . 2]" 1
536 1 43 GLN HB2 1 43 GLN HE21 . . 4.440 3.830 2.981 4.608 0.168 10 0 "[ . 1 . 2]" 1
537 1 43 GLN HB2 1 43 GLN HG3 . . 3.000 2.439 2.314 2.545 . 0 0 "[ . 1 . 2]" 1
538 1 43 GLN HB2 1 44 THR H . . 4.240 3.467 2.365 4.149 . 0 0 "[ . 1 . 2]" 1
539 1 43 GLN HB3 1 43 GLN HE22 . . 5.380 4.334 3.523 4.785 . 0 0 "[ . 1 . 2]" 1
540 1 43 GLN HB3 1 44 THR H . . 3.970 3.755 3.486 3.966 . 0 0 "[ . 1 . 2]" 1
541 1 43 GLN HG2 1 44 THR H . . 5.500 2.922 1.964 4.462 . 0 0 "[ . 1 . 2]" 1
542 1 44 THR H 1 44 THR HB . . 3.510 2.261 2.147 2.355 . 0 0 "[ . 1 . 2]" 1
543 1 44 THR H 1 45 LEU H . . 3.960 2.964 2.752 3.100 . 0 0 "[ . 1 . 2]" 1
544 1 44 THR H 1 45 LEU HG . . 5.120 4.457 4.075 4.944 . 0 0 "[ . 1 . 2]" 1
545 1 44 THR H 1 46 GLY H . . 4.710 3.854 3.481 4.194 . 0 0 "[ . 1 . 2]" 1
546 1 44 THR HA 1 44 THR MG . . 3.460 2.539 2.451 2.652 . 0 0 "[ . 1 . 2]" 1
547 1 44 THR HA 1 47 SER H . . 3.850 3.641 3.221 3.882 0.032 10 0 "[ . 1 . 2]" 1
548 1 44 THR HA 1 47 SER QB . . 4.480 3.109 2.382 4.223 . 0 0 "[ . 1 . 2]" 1
549 1 44 THR HB 1 45 LEU H . . 3.700 2.352 2.195 2.689 . 0 0 "[ . 1 . 2]" 1
550 1 44 THR HB 1 45 LEU HG . . 4.450 3.230 3.006 3.555 . 0 0 "[ . 1 . 2]" 1
551 1 44 THR HB 1 46 GLY H . . 4.740 4.625 4.308 4.761 0.021 2 0 "[ . 1 . 2]" 1
552 1 44 THR HB 1 80 MET ME . . 4.500 4.094 3.472 4.538 0.038 15 0 "[ . 1 . 2]" 1
553 1 44 THR MG 1 45 LEU H . . 4.340 2.951 2.715 3.286 . 0 0 "[ . 1 . 2]" 1
554 1 44 THR MG 1 45 LEU HA . . 3.820 3.302 3.099 3.516 . 0 0 "[ . 1 . 2]" 1
555 1 44 THR MG 1 45 LEU MD2 . . 3.880 2.625 2.094 3.570 . 0 0 "[ . 1 . 2]" 1
556 1 44 THR MG 1 48 TYR QD . . 5.500 3.563 3.032 4.285 . 0 0 "[ . 1 . 2]" 1
557 1 44 THR MG 1 48 TYR QE . . 4.050 2.739 1.941 3.604 . 0 0 "[ . 1 . 2]" 1
558 1 44 THR MG 1 80 MET ME . . 3.570 2.398 1.779 2.947 . 0 0 "[ . 1 . 2]" 1
559 1 44 THR MG 1 80 MET HG2 . . 5.370 5.047 3.735 5.903 0.533 13 1 "[ . 1 + . 2]" 1
560 1 45 LEU H 1 45 LEU HB2 . . 4.030 2.655 2.354 2.811 . 0 0 "[ . 1 . 2]" 1
561 1 45 LEU H 1 45 LEU MD1 . . 5.500 3.427 2.656 3.608 . 0 0 "[ . 1 . 2]" 1
562 1 45 LEU H 1 45 LEU MD2 . . 5.010 2.876 2.277 3.603 . 0 0 "[ . 1 . 2]" 1
563 1 45 LEU H 1 45 LEU HG . . 3.390 1.960 1.904 2.363 . 0 0 "[ . 1 . 2]" 1
564 1 45 LEU H 1 46 GLY H . . 3.950 2.706 2.444 2.924 . 0 0 "[ . 1 . 2]" 1
565 1 45 LEU H 1 65 PHE HZ . . 5.360 5.172 4.704 5.397 0.037 13 0 "[ . 1 . 2]" 1
566 1 45 LEU HA 1 45 LEU MD2 . . 3.450 2.169 1.961 2.865 . 0 0 "[ . 1 . 2]" 1
567 1 45 LEU HA 1 45 LEU HG . . 4.070 3.244 2.780 3.571 . 0 0 "[ . 1 . 2]" 1
568 1 45 LEU HA 1 48 TYR QD . . 3.450 2.268 1.981 2.848 . 0 0 "[ . 1 . 2]" 1
569 1 45 LEU HA 1 48 TYR QE . . 4.730 3.647 2.780 4.360 . 0 0 "[ . 1 . 2]" 1
570 1 45 LEU HA 1 65 PHE HZ . . 5.100 3.996 3.604 4.361 . 0 0 "[ . 1 . 2]" 1
571 1 45 LEU HA 1 74 VAL QG . . 4.220 2.691 2.139 3.160 . 0 0 "[ . 1 . 2]" 1
572 1 45 LEU HA 1 80 MET ME . . 4.960 3.891 3.103 4.502 . 0 0 "[ . 1 . 2]" 1
573 1 45 LEU HB2 1 45 LEU MD1 . . 3.460 2.289 1.913 2.509 . 0 0 "[ . 1 . 2]" 1
574 1 45 LEU HB2 1 46 GLY H . . 4.260 2.836 2.469 3.276 . 0 0 "[ . 1 . 2]" 1
575 1 45 LEU HB2 1 51 ILE MD . . 3.460 3.157 2.606 3.463 0.003 7 0 "[ . 1 . 2]" 1
576 1 45 LEU HB2 1 63 VAL QG . . 5.500 3.116 2.687 3.488 . 0 0 "[ . 1 . 2]" 1
577 1 45 LEU HB2 1 65 PHE HZ . . 4.420 2.797 2.021 3.282 . 0 0 "[ . 1 . 2]" 1
578 1 45 LEU HB3 1 45 LEU MD1 . . 3.190 2.387 2.154 2.877 . 0 0 "[ . 1 . 2]" 1
579 1 45 LEU HB3 1 45 LEU MD2 . . 3.350 2.405 2.032 2.617 . 0 0 "[ . 1 . 2]" 1
580 1 45 LEU HB3 1 46 GLY H . . 5.500 3.994 3.729 4.227 . 0 0 "[ . 1 . 2]" 1
581 1 45 LEU HB3 1 63 VAL QG . . 5.500 3.597 2.998 3.972 . 0 0 "[ . 1 . 2]" 1
582 1 45 LEU HB3 1 65 PHE QE . . 4.010 3.232 2.627 3.434 . 0 0 "[ . 1 . 2]" 1
583 1 45 LEU HB3 1 65 PHE HZ . . 3.840 2.002 1.970 2.072 . 0 0 "[ . 1 . 2]" 1
584 1 45 LEU HB3 1 74 VAL QG . . 3.160 2.385 2.062 2.818 . 0 0 "[ . 1 . 2]" 1
585 1 45 LEU MD1 1 63 VAL QG . . 4.020 2.512 1.920 2.939 . 0 0 "[ . 1 . 2]" 1
586 1 45 LEU MD1 1 65 PHE HZ . . 3.740 3.075 2.111 3.750 0.010 7 0 "[ . 1 . 2]" 1
587 1 45 LEU MD1 1 74 VAL QG . . 4.100 2.833 2.135 3.768 . 0 0 "[ . 1 . 2]" 1
588 1 45 LEU MD2 1 48 TYR QD . . 4.140 3.549 2.951 4.145 0.005 20 0 "[ . 1 . 2]" 1
589 1 45 LEU MD2 1 48 TYR QE . . 3.880 3.577 2.842 3.893 0.013 15 0 "[ . 1 . 2]" 1
590 1 45 LEU MD2 1 63 VAL QG . . 5.050 4.314 3.387 4.666 . 0 0 "[ . 1 . 2]" 1
591 1 45 LEU MD2 1 65 PHE HZ . . 4.150 3.842 3.063 4.202 0.052 3 0 "[ . 1 . 2]" 1
592 1 45 LEU MD2 1 74 VAL QG . . 2.810 1.915 1.591 2.271 . 0 0 "[ . 1 . 2]" 1
593 1 45 LEU MD2 1 80 MET ME . . 2.800 1.825 1.623 2.331 . 0 0 "[ . 1 . 2]" 1
594 1 46 GLY H 1 47 SER H . . 4.090 2.798 2.569 2.917 . 0 0 "[ . 1 . 2]" 1
595 1 46 GLY H 1 47 SER QB . . 5.500 4.463 4.161 4.869 . 0 0 "[ . 1 . 2]" 1
596 1 46 GLY H 1 51 ILE MD . . 4.540 3.479 2.984 4.188 . 0 0 "[ . 1 . 2]" 1
597 1 46 GLY HA2 1 51 ILE MD . . 4.180 2.765 2.257 3.439 . 0 0 "[ . 1 . 2]" 1
598 1 46 GLY HA2 1 51 ILE HG12 . . 5.060 2.084 1.988 2.520 . 0 0 "[ . 1 . 2]" 1
599 1 46 GLY HA3 1 51 ILE MD . . 4.110 3.491 2.845 4.184 0.074 18 0 "[ . 1 . 2]" 1
600 1 46 GLY HA3 1 51 ILE HG13 . . 4.870 3.038 2.574 3.630 . 0 0 "[ . 1 . 2]" 1
601 1 47 SER H 1 47 SER QB . . 3.390 2.134 1.999 2.473 . 0 0 "[ . 1 . 2]" 1
602 1 47 SER H 1 48 TYR H . . 3.330 2.953 2.434 3.222 . 0 0 "[ . 1 . 2]" 1
603 1 47 SER H 1 48 TYR QB . . 5.500 4.474 3.899 4.860 . 0 0 "[ . 1 . 2]" 1
604 1 47 SER H 1 48 TYR QD . . 4.220 3.934 3.644 4.212 . 0 0 "[ . 1 . 2]" 1
605 1 47 SER QB 1 48 TYR H . . 5.180 2.281 2.096 2.552 . 0 0 "[ . 1 . 2]" 1
606 1 47 SER QB 1 48 TYR QD . . 5.150 3.257 2.868 3.629 . 0 0 "[ . 1 . 2]" 1
607 1 47 SER QB 1 48 TYR QE . . 4.910 4.300 3.842 4.576 . 0 0 "[ . 1 . 2]" 1
608 1 48 TYR H 1 48 TYR QB . . 3.620 2.249 2.089 2.444 . 0 0 "[ . 1 . 2]" 1
609 1 48 TYR H 1 48 TYR QD . . 3.780 2.075 1.925 2.471 . 0 0 "[ . 1 . 2]" 1
610 1 48 TYR H 1 48 TYR QE . . 5.500 4.207 3.865 4.497 . 0 0 "[ . 1 . 2]" 1
611 1 48 TYR H 1 49 GLY H . . 3.370 3.028 2.804 3.350 . 0 0 "[ . 1 . 2]" 1
612 1 48 TYR H 1 74 VAL QG . . 5.500 4.114 3.623 4.712 . 0 0 "[ . 1 . 2]" 1
613 1 48 TYR HA 1 48 TYR QD . . 3.370 3.025 2.772 3.113 . 0 0 "[ . 1 . 2]" 1
614 1 48 TYR QB 1 49 GLY H . . 4.360 2.325 1.887 2.622 . 0 0 "[ . 1 . 2]" 1
615 1 48 TYR QB 1 65 PHE QE . . 4.420 3.844 3.058 4.431 0.011 4 0 "[ . 1 . 2]" 1
616 1 48 TYR QB 1 65 PHE HZ . . 4.620 4.530 4.230 4.667 0.047 10 0 "[ . 1 . 2]" 1
617 1 48 TYR QB 1 73 SER HB2 . . 4.760 4.212 3.477 4.758 . 0 0 "[ . 1 . 2]" 1
618 1 48 TYR QB 1 74 VAL HB . . 4.840 4.241 2.656 4.843 0.003 5 0 "[ . 1 . 2]" 1
619 1 48 TYR QB 1 74 VAL QG . . 3.990 2.350 1.922 3.268 . 0 0 "[ . 1 . 2]" 1
620 1 48 TYR QD 1 49 GLY H . . 4.370 4.163 3.766 4.372 0.002 4 0 "[ . 1 . 2]" 1
621 1 48 TYR QD 1 73 SER HB2 . . 3.860 3.565 2.250 3.877 0.017 8 0 "[ . 1 . 2]" 1
622 1 48 TYR QD 1 73 SER HB3 . . 3.840 2.876 2.456 3.831 . 0 0 "[ . 1 . 2]" 1
623 1 48 TYR QD 1 74 VAL HB . . 5.500 4.825 2.832 5.502 0.002 18 0 "[ . 1 . 2]" 1
624 1 48 TYR QD 1 74 VAL QG . . 4.120 2.740 2.222 3.218 . 0 0 "[ . 1 . 2]" 1
625 1 48 TYR QD 1 77 VAL QG . . 4.530 3.544 3.140 4.477 . 0 0 "[ . 1 . 2]" 1
626 1 48 TYR QD 1 80 MET ME . . 5.070 4.485 3.621 5.052 . 0 0 "[ . 1 . 2]" 1
627 1 48 TYR QE 1 73 SER HB3 . . 4.710 3.519 2.366 4.549 . 0 0 "[ . 1 . 2]" 1
628 1 48 TYR QE 1 74 VAL HA . . 5.000 4.004 3.379 4.493 . 0 0 "[ . 1 . 2]" 1
629 1 48 TYR QE 1 74 VAL QG . . 5.110 3.475 2.837 3.861 . 0 0 "[ . 1 . 2]" 1
630 1 48 TYR QE 1 77 VAL QG . . 3.860 2.228 1.906 2.784 . 0 0 "[ . 1 . 2]" 1
631 1 48 TYR QE 1 80 MET ME . . 4.800 3.348 1.987 4.583 . 0 0 "[ . 1 . 2]" 1
632 1 49 GLY H 1 50 THR H . . 5.500 3.713 3.533 3.917 . 0 0 "[ . 1 . 2]" 1
633 1 49 GLY H 1 65 PHE QE . . 4.130 3.426 2.645 4.111 . 0 0 "[ . 1 . 2]" 1
634 1 49 GLY HA2 1 50 THR H . . 3.340 3.274 3.156 3.367 0.027 17 0 "[ . 1 . 2]" 1
635 1 49 GLY HA2 1 70 SER HB3 . . 5.070 3.463 2.467 4.554 . 0 0 "[ . 1 . 2]" 1
636 1 49 GLY HA3 1 65 PHE QD . . 4.310 3.062 2.294 3.838 . 0 0 "[ . 1 . 2]" 1
637 1 49 GLY HA3 1 70 SER HB3 . . 4.880 2.820 2.212 3.552 . 0 0 "[ . 1 . 2]" 1
638 1 50 THR H 1 50 THR HB . . 3.270 2.764 2.601 3.014 . 0 0 "[ . 1 . 2]" 1
639 1 50 THR H 1 50 THR MG . . 4.800 3.544 2.826 3.786 . 0 0 "[ . 1 . 2]" 1
640 1 50 THR H 1 51 ILE H . . 5.500 4.012 1.862 4.374 . 0 0 "[ . 1 . 2]" 1
641 1 50 THR H 1 51 ILE HA . . 4.960 4.449 3.764 4.618 . 0 0 "[ . 1 . 2]" 1
642 1 50 THR H 1 65 PHE QD . . 4.680 2.196 1.939 2.633 . 0 0 "[ . 1 . 2]" 1
643 1 50 THR H 1 66 ALA MB . . 5.500 3.709 3.330 4.213 . 0 0 "[ . 1 . 2]" 1
644 1 50 THR HA 1 50 THR MG . . 3.580 2.778 2.558 3.144 . 0 0 "[ . 1 . 2]" 1
645 1 50 THR HA 1 51 ILE H . . 3.150 2.216 2.150 3.090 . 0 0 "[ . 1 . 2]" 1
646 1 50 THR HA 1 51 ILE HB . . 5.100 4.461 4.206 4.556 . 0 0 "[ . 1 . 2]" 1
647 1 50 THR HA 1 51 ILE HG12 . . 4.680 3.741 3.506 4.038 . 0 0 "[ . 1 . 2]" 1
648 1 50 THR HB 1 51 ILE H . . 4.600 4.554 4.305 4.666 0.066 11 0 "[ . 1 . 2]" 1
649 1 50 THR HB 1 66 ALA H . . 3.870 3.595 3.109 3.879 0.009 19 0 "[ . 1 . 2]" 1
650 1 50 THR HB 1 66 ALA MB . . 3.440 2.627 2.141 3.091 . 0 0 "[ . 1 . 2]" 1
651 1 50 THR MG 1 51 ILE H . . 4.080 3.021 2.364 3.510 . 0 0 "[ . 1 . 2]" 1
652 1 50 THR MG 1 52 VAL QG . . 3.640 1.970 1.897 2.209 . 0 0 "[ . 1 . 2]" 1
653 1 50 THR MG 1 66 ALA MB . . 3.830 2.368 1.779 2.670 . 0 0 "[ . 1 . 2]" 1
654 1 51 ILE H 1 51 ILE HB . . 3.630 2.392 2.257 3.296 . 0 0 "[ . 1 . 2]" 1
655 1 51 ILE H 1 51 ILE MD . . 5.040 3.567 3.041 3.833 . 0 0 "[ . 1 . 2]" 1
656 1 51 ILE H 1 51 ILE HG12 . . 3.430 2.279 2.074 2.602 . 0 0 "[ . 1 . 2]" 1
657 1 51 ILE H 1 51 ILE HG13 . . 4.640 3.543 3.396 3.924 . 0 0 "[ . 1 . 2]" 1
658 1 51 ILE H 1 51 ILE MG . . 4.350 3.711 3.663 3.944 . 0 0 "[ . 1 . 2]" 1
659 1 51 ILE HA 1 51 ILE HG12 . . 3.890 2.869 2.661 2.962 . 0 0 "[ . 1 . 2]" 1
660 1 51 ILE HA 1 51 ILE HG13 . . 4.040 3.721 3.684 3.754 . 0 0 "[ . 1 . 2]" 1
661 1 51 ILE HA 1 51 ILE MG . . 3.540 2.438 2.340 2.545 . 0 0 "[ . 1 . 2]" 1
662 1 51 ILE HA 1 52 VAL H . . 3.400 2.210 2.176 2.285 . 0 0 "[ . 1 . 2]" 1
663 1 51 ILE HA 1 52 VAL HA . . 4.880 4.401 4.369 4.442 . 0 0 "[ . 1 . 2]" 1
664 1 51 ILE HA 1 52 VAL QG . . 4.870 3.557 3.208 4.192 . 0 0 "[ . 1 . 2]" 1
665 1 51 ILE HA 1 53 LEU H . . 4.760 3.268 3.129 3.365 . 0 0 "[ . 1 . 2]" 1
666 1 51 ILE HA 1 63 VAL QG . . 5.500 3.711 3.393 3.925 . 0 0 "[ . 1 . 2]" 1
667 1 51 ILE HA 1 65 PHE HA . . 3.530 3.024 2.805 3.391 . 0 0 "[ . 1 . 2]" 1
668 1 51 ILE HA 1 65 PHE QD . . 5.170 3.555 2.632 4.358 . 0 0 "[ . 1 . 2]" 1
669 1 51 ILE HA 1 66 ALA H . . 5.050 4.991 4.859 5.071 0.021 6 0 "[ . 1 . 2]" 1
670 1 51 ILE HB 1 52 VAL H . . 4.890 4.536 4.406 4.611 . 0 0 "[ . 1 . 2]" 1
671 1 51 ILE HB 1 53 LEU H . . 4.860 4.862 4.753 4.951 0.091 19 0 "[ . 1 . 2]" 1
672 1 51 ILE MD 1 51 ILE MG . . 2.400 1.985 1.907 2.031 . 0 0 "[ . 1 . 2]" 1
673 1 51 ILE MD 1 52 VAL H . . 3.640 3.658 3.549 3.811 0.171 19 0 "[ . 1 . 2]" 1
674 1 51 ILE MD 1 63 VAL QG . . 3.430 1.892 1.649 2.113 . 0 0 "[ . 1 . 2]" 1
675 1 51 ILE MD 1 65 PHE QE . . 4.120 2.528 1.970 3.493 . 0 0 "[ . 1 . 2]" 1
676 1 51 ILE MD 1 65 PHE HZ . . 4.120 3.319 2.775 3.833 . 0 0 "[ . 1 . 2]" 1
677 1 51 ILE HG12 1 63 VAL QG . . 5.490 4.107 3.858 4.341 . 0 0 "[ . 1 . 2]" 1
678 1 51 ILE HG12 1 65 PHE QE . . 4.210 3.589 2.473 4.209 . 0 0 "[ . 1 . 2]" 1
679 1 51 ILE HG13 1 63 VAL QG . . 4.390 3.974 3.590 4.340 . 0 0 "[ . 1 . 2]" 1
680 1 51 ILE HG13 1 65 PHE QE . . 5.410 4.774 3.826 5.401 . 0 0 "[ . 1 . 2]" 1
681 1 51 ILE MG 1 52 VAL H . . 3.640 3.121 2.717 3.424 . 0 0 "[ . 1 . 2]" 1
682 1 51 ILE MG 1 52 VAL HA . . 4.500 4.045 3.749 4.229 . 0 0 "[ . 1 . 2]" 1
683 1 51 ILE MG 1 53 LEU H . . 3.640 2.356 2.177 2.596 . 0 0 "[ . 1 . 2]" 1
684 1 51 ILE MG 1 54 VAL HB . . 5.420 3.708 2.082 4.309 . 0 0 "[ . 1 . 2]" 1
685 1 51 ILE MG 1 54 VAL QG . . 3.200 2.116 1.721 3.095 . 0 0 "[ . 1 . 2]" 1
686 1 51 ILE MG 1 63 VAL QG . . 3.490 3.101 2.632 3.472 . 0 0 "[ . 1 . 2]" 1
687 1 52 VAL H 1 52 VAL QG . . 3.590 2.144 1.858 2.681 . 0 0 "[ . 1 . 2]" 1
688 1 52 VAL H 1 53 LEU H . . 3.350 2.202 1.916 2.443 . 0 0 "[ . 1 . 2]" 1
689 1 52 VAL H 1 65 PHE H . . 4.860 4.498 4.052 4.870 0.010 17 0 "[ . 1 . 2]" 1
690 1 52 VAL H 1 65 PHE HA . . 4.260 2.496 2.032 2.921 . 0 0 "[ . 1 . 2]" 1
691 1 52 VAL HB 1 53 LEU H . . 4.700 3.940 3.112 4.370 . 0 0 "[ . 1 . 2]" 1
692 1 52 VAL HB 1 53 LEU HB2 . . 4.310 4.371 4.022 4.915 0.605 17 2 "[ . 1 .-+ 2]" 1
693 1 52 VAL HB 1 64 THR MG . . 4.530 3.895 2.660 4.553 0.023 12 0 "[ . 1 . 2]" 1
694 1 52 VAL QG 1 53 LEU H . . 3.490 2.811 2.296 3.393 . 0 0 "[ . 1 . 2]" 1
695 1 52 VAL QG 1 53 LEU HB2 . . 3.740 2.905 2.241 3.721 . 0 0 "[ . 1 . 2]" 1
696 1 52 VAL QG 1 53 LEU QD . . 3.510 3.353 3.031 3.447 . 0 0 "[ . 1 . 2]" 1
697 1 52 VAL QG 1 64 THR HB . . 3.940 2.860 2.290 3.725 . 0 0 "[ . 1 . 2]" 1
698 1 52 VAL QG 1 64 THR MG . . 3.460 2.240 1.948 2.930 . 0 0 "[ . 1 . 2]" 1
699 1 52 VAL QG 1 65 PHE H . . 4.740 3.436 2.901 4.187 . 0 0 "[ . 1 . 2]" 1
700 1 52 VAL QG 1 65 PHE HA . . 4.780 2.597 2.167 3.040 . 0 0 "[ . 1 . 2]" 1
701 1 52 VAL QG 1 66 ALA H . . 4.620 2.663 2.458 3.005 . 0 0 "[ . 1 . 2]" 1
702 1 52 VAL QG 1 66 ALA HA . . 3.790 2.075 1.916 2.452 . 0 0 "[ . 1 . 2]" 1
703 1 52 VAL QG 1 66 ALA MB . . 3.480 1.962 1.798 2.328 . 0 0 "[ . 1 . 2]" 1
704 1 53 LEU H 1 53 LEU HB2 . . 4.020 3.467 3.091 3.838 . 0 0 "[ . 1 . 2]" 1
705 1 53 LEU H 1 54 VAL H . . 5.500 4.197 4.011 4.271 . 0 0 "[ . 1 . 2]" 1
706 1 53 LEU H 1 54 VAL QG . . 5.500 3.527 2.914 4.621 . 0 0 "[ . 1 . 2]" 1
707 1 53 LEU H 1 64 THR H . . 4.550 3.464 3.241 3.636 . 0 0 "[ . 1 . 2]" 1
708 1 53 LEU H 1 64 THR HB . . 3.860 2.812 2.555 3.048 . 0 0 "[ . 1 . 2]" 1
709 1 53 LEU H 1 64 THR MG . . 5.330 3.962 3.749 4.137 . 0 0 "[ . 1 . 2]" 1
710 1 53 LEU H 1 65 PHE HA . . 5.500 4.278 3.938 4.650 . 0 0 "[ . 1 . 2]" 1
711 1 53 LEU HA 1 53 LEU QD . . 3.520 2.154 1.865 2.686 . 0 0 "[ . 1 . 2]" 1
712 1 53 LEU HA 1 54 VAL H . . 3.170 2.336 2.203 2.411 . 0 0 "[ . 1 . 2]" 1
713 1 53 LEU HB2 1 54 VAL H . . 4.980 4.050 3.706 4.402 . 0 0 "[ . 1 . 2]" 1
714 1 53 LEU HB2 1 64 THR H . . 5.500 5.544 5.120 5.962 0.462 15 0 "[ . 1 . 2]" 1
715 1 53 LEU HB2 1 64 THR HB . . 3.730 3.609 2.831 4.271 0.541 20 3 "[ * . 1 .- +]" 1
716 1 53 LEU HB2 1 64 THR MG . . 3.820 3.911 2.942 4.579 0.759 16 9 "[ ** . ** 1 * *+- *]" 1
717 1 53 LEU HB3 1 53 LEU QD . . 3.170 2.214 1.991 2.441 . 0 0 "[ . 1 . 2]" 1
718 1 53 LEU HB3 1 54 VAL H . . 3.980 3.707 3.165 4.480 0.500 17 1 "[ . 1 . + 2]" 1
719 1 53 LEU HB3 1 64 THR MG . . 4.530 3.248 2.946 3.930 . 0 0 "[ . 1 . 2]" 1
720 1 53 LEU QD 1 54 VAL H . . 3.830 1.799 1.716 2.004 . 0 0 "[ . 1 . 2]" 1
721 1 53 LEU QD 1 54 VAL QG . . 3.330 3.080 2.870 3.305 . 0 0 "[ . 1 . 2]" 1
722 1 53 LEU HG 1 54 VAL H . . 4.010 3.819 2.422 4.115 0.105 19 0 "[ . 1 . 2]" 1
723 1 54 VAL H 1 54 VAL HB . . 3.820 3.567 2.654 3.925 0.105 9 0 "[ . 1 . 2]" 1
724 1 54 VAL H 1 54 VAL QG . . 3.650 2.299 1.982 2.789 . 0 0 "[ . 1 . 2]" 1
725 1 54 VAL HA 1 55 ARG H . . 3.540 2.291 2.193 2.348 . 0 0 "[ . 1 . 2]" 1
726 1 54 VAL HA 1 63 VAL HA . . 3.930 2.476 2.313 2.599 . 0 0 "[ . 1 . 2]" 1
727 1 54 VAL HB 1 55 ARG H . . 4.280 3.373 2.774 4.390 0.110 7 0 "[ . 1 . 2]" 1
728 1 54 VAL QG 1 55 ARG H . . 3.910 3.094 1.968 3.592 . 0 0 "[ . 1 . 2]" 1
729 1 54 VAL QG 1 56 ILE H . . 4.920 4.176 3.450 4.678 . 0 0 "[ . 1 . 2]" 1
730 1 54 VAL QG 1 63 VAL HA . . 4.240 2.354 1.987 3.043 . 0 0 "[ . 1 . 2]" 1
731 1 54 VAL QG 1 63 VAL QG . . 3.400 2.053 1.749 2.806 . 0 0 "[ . 1 . 2]" 1
732 1 54 VAL QG 1 64 THR H . . 4.290 2.757 2.201 4.010 . 0 0 "[ . 1 . 2]" 1
733 1 55 ARG H 1 55 ARG HB2 . . 3.760 3.066 2.837 3.242 . 0 0 "[ . 1 . 2]" 1
734 1 55 ARG H 1 55 ARG HB3 . . 4.010 2.961 2.715 3.114 . 0 0 "[ . 1 . 2]" 1
735 1 55 ARG H 1 55 ARG HG2 . . 4.740 4.545 4.459 4.753 0.013 11 0 "[ . 1 . 2]" 1
736 1 55 ARG H 1 56 ILE QG . . 5.340 4.536 3.929 5.169 . 0 0 "[ . 1 . 2]" 1
737 1 55 ARG H 1 62 LEU H . . 4.000 3.462 3.071 3.669 . 0 0 "[ . 1 . 2]" 1
738 1 55 ARG H 1 62 LEU HB2 . . 5.390 3.478 2.716 4.675 . 0 0 "[ . 1 . 2]" 1
739 1 55 ARG H 1 62 LEU HB3 . . 5.500 4.279 3.515 5.031 . 0 0 "[ . 1 . 2]" 1
740 1 55 ARG HA 1 55 ARG HG2 . . 3.950 2.453 2.201 3.380 . 0 0 "[ . 1 . 2]" 1
741 1 55 ARG HA 1 56 ILE H . . 3.300 2.234 2.225 2.277 . 0 0 "[ . 1 . 2]" 1
742 1 55 ARG HB2 1 55 ARG HD2 . . 4.130 2.929 2.025 3.378 . 0 0 "[ . 1 . 2]" 1
743 1 55 ARG HB2 1 56 ILE H . . 4.540 4.558 4.364 4.622 0.082 6 0 "[ . 1 . 2]" 1
744 1 55 ARG HB3 1 55 ARG HD2 . . 3.460 2.365 1.982 2.995 . 0 0 "[ . 1 . 2]" 1
745 1 55 ARG HB3 1 55 ARG HD3 . . 3.380 2.812 2.251 3.461 0.081 11 0 "[ . 1 . 2]" 1
746 1 55 ARG HB3 1 56 ILE H . . 4.260 4.249 3.953 4.323 0.063 6 0 "[ . 1 . 2]" 1
747 1 55 ARG HB3 1 62 LEU QD . . 4.020 2.937 2.031 3.591 . 0 0 "[ . 1 . 2]" 1
748 1 55 ARG HD2 1 62 LEU QD . . 4.220 3.349 2.407 4.120 . 0 0 "[ . 1 . 2]" 1
749 1 55 ARG HD3 1 62 LEU QD . . 4.130 3.214 2.602 4.097 . 0 0 "[ . 1 . 2]" 1
750 1 55 ARG HG2 1 56 ILE H . . 4.150 3.070 2.356 3.984 . 0 0 "[ . 1 . 2]" 1
751 1 55 ARG HG2 1 56 ILE HB . . 5.150 5.018 4.354 5.869 0.719 11 1 "[ . 1+ . 2]" 1
752 1 56 ILE H 1 56 ILE HB . . 3.550 2.150 2.072 2.228 . 0 0 "[ . 1 . 2]" 1
753 1 56 ILE H 1 56 ILE MD . . 5.500 3.902 2.357 4.397 . 0 0 "[ . 1 . 2]" 1
754 1 56 ILE H 1 56 ILE QG . . 4.320 3.138 2.807 3.708 . 0 0 "[ . 1 . 2]" 1
755 1 56 ILE H 1 56 ILE MG . . 4.320 3.440 3.000 3.596 . 0 0 "[ . 1 . 2]" 1
756 1 56 ILE HA 1 56 ILE MD . . 3.700 3.237 2.057 3.751 0.051 19 0 "[ . 1 . 2]" 1
757 1 56 ILE HA 1 56 ILE MG . . 3.660 2.727 2.573 2.999 . 0 0 "[ . 1 . 2]" 1
758 1 56 ILE HA 1 57 ASN H . . 3.180 2.236 2.177 2.357 . 0 0 "[ . 1 . 2]" 1
759 1 56 ILE HA 1 57 ASN HB2 . . 4.640 4.158 3.983 4.435 . 0 0 "[ . 1 . 2]" 1
760 1 56 ILE HB 1 57 ASN H . . 5.120 4.392 4.158 4.567 . 0 0 "[ . 1 . 2]" 1
761 1 56 ILE MD 1 56 ILE MG . . 3.480 2.015 1.836 3.231 . 0 0 "[ . 1 . 2]" 1
762 1 56 ILE MD 1 57 ASN H . . 4.580 4.214 2.592 4.740 0.160 19 0 "[ . 1 . 2]" 1
763 1 56 ILE MD 1 61 MET QG . . 3.730 2.949 1.805 3.780 0.050 7 0 "[ . 1 . 2]" 1
764 1 56 ILE MD 1 62 LEU H . . 5.500 5.084 3.965 5.539 0.039 14 0 "[ . 1 . 2]" 1
765 1 56 ILE QG 1 56 ILE MG . . 2.790 2.414 2.068 2.532 . 0 0 "[ . 1 . 2]" 1
766 1 56 ILE QG 1 61 MET HA . . 3.990 2.742 1.953 3.903 . 0 0 "[ . 1 . 2]" 1
767 1 56 ILE QG 1 61 MET QG . . 3.450 2.633 1.935 3.229 . 0 0 "[ . 1 . 2]" 1
768 1 56 ILE MG 1 57 ASN H . . 3.910 2.605 2.009 3.181 . 0 0 "[ . 1 . 2]" 1
769 1 56 ILE MG 1 57 ASN HA . . 4.970 3.574 3.273 3.764 . 0 0 "[ . 1 . 2]" 1
770 1 56 ILE MG 1 58 GLN H . . 4.700 4.479 4.246 4.632 . 0 0 "[ . 1 . 2]" 1
771 1 56 ILE MG 1 60 GLN H . . 5.500 3.562 3.018 4.562 . 0 0 "[ . 1 . 2]" 1
772 1 57 ASN H 1 60 GLN H . . 4.680 2.871 2.592 3.189 . 0 0 "[ . 1 . 2]" 1
773 1 57 ASN H 1 60 GLN HA . . 4.670 4.415 4.186 4.661 . 0 0 "[ . 1 . 2]" 1
774 1 57 ASN H 1 62 LEU H . . 4.300 3.758 3.288 4.327 0.027 20 0 "[ . 1 . 2]" 1
775 1 57 ASN H 1 62 LEU QD . . 4.470 3.488 2.916 4.152 . 0 0 "[ . 1 . 2]" 1
776 1 57 ASN HA 1 58 GLN H . . 3.340 2.419 2.337 2.503 . 0 0 "[ . 1 . 2]" 1
777 1 57 ASN HB2 1 58 GLN H . . 5.500 4.212 3.900 4.389 . 0 0 "[ . 1 . 2]" 1
778 1 57 ASN HB2 1 60 GLN HA . . 5.020 4.646 3.817 5.683 0.663 19 1 "[ . 1 . +2]" 1
779 1 57 ASN HB2 1 60 GLN HB2 . . 4.880 2.927 2.154 4.067 . 0 0 "[ . 1 . 2]" 1
780 1 57 ASN HB2 1 60 GLN HB3 . . 5.270 2.494 1.981 3.913 . 0 0 "[ . 1 . 2]" 1
781 1 57 ASN HB2 1 60 GLN QG . . 4.740 4.300 3.753 5.145 0.405 14 0 "[ . 1 . 2]" 1
782 1 57 ASN HB2 1 62 LEU QD . . 4.290 2.493 1.928 3.193 . 0 0 "[ . 1 . 2]" 1
783 1 57 ASN HB3 1 62 LEU QD . . 4.160 3.655 3.037 4.243 0.083 9 0 "[ . 1 . 2]" 1
784 1 57 ASN HD21 1 62 LEU QD . . 5.500 3.529 1.862 5.256 . 0 0 "[ . 1 . 2]" 1
785 1 58 GLN H 1 58 GLN HG2 . . 4.510 3.416 2.069 4.521 0.011 10 0 "[ . 1 . 2]" 1
786 1 58 GLN H 1 58 GLN HG3 . . 4.070 3.053 2.233 3.959 . 0 0 "[ . 1 . 2]" 1
787 1 58 GLN HA 1 58 GLN HG2 . . 3.890 2.509 2.015 3.437 . 0 0 "[ . 1 . 2]" 1
788 1 58 GLN HA 1 58 GLN HG3 . . 3.950 2.861 1.979 3.676 . 0 0 "[ . 1 . 2]" 1
789 1 58 GLN HB2 1 58 GLN HG3 . . 3.040 2.507 2.277 3.020 . 0 0 "[ . 1 . 2]" 1
790 1 58 GLN HB2 1 59 GLY H . . 3.850 2.818 2.422 3.599 . 0 0 "[ . 1 . 2]" 1
791 1 58 GLN HB2 1 59 GLY HA3 . . 5.500 4.677 4.307 5.459 . 0 0 "[ . 1 . 2]" 1
792 1 58 GLN HB3 1 58 GLN HG2 . . 3.040 2.643 2.264 3.047 0.007 2 0 "[ . 1 . 2]" 1
793 1 58 GLN HB3 1 58 GLN HG3 . . 2.990 2.893 2.590 3.042 0.052 5 0 "[ . 1 . 2]" 1
794 1 58 GLN HB3 1 59 GLY H . . 3.650 3.140 2.665 3.540 . 0 0 "[ . 1 . 2]" 1
795 1 59 GLY H 1 60 GLN H . . 4.160 2.729 2.549 2.926 . 0 0 "[ . 1 . 2]" 1
796 1 60 GLN H 1 60 GLN HB2 . . 3.890 3.059 2.785 3.279 . 0 0 "[ . 1 . 2]" 1
797 1 60 GLN H 1 60 GLN QG . . 4.430 4.065 3.310 4.278 . 0 0 "[ . 1 . 2]" 1
798 1 60 GLN HA 1 61 MET H . . 3.290 2.609 2.222 2.792 . 0 0 "[ . 1 . 2]" 1
799 1 60 GLN HA 1 61 MET HB2 . . 4.800 4.324 3.933 4.845 0.045 12 0 "[ . 1 . 2]" 1
800 1 60 GLN HB2 1 61 MET H . . 4.400 3.884 3.605 4.514 0.114 12 0 "[ . 1 . 2]" 1
801 1 60 GLN HB3 1 61 MET H . . 4.310 2.698 2.065 3.835 . 0 0 "[ . 1 . 2]" 1
802 1 60 GLN QG 1 61 MET H . . 5.220 2.559 1.893 4.277 . 0 0 "[ . 1 . 2]" 1
803 1 61 MET H 1 61 MET HB3 . . 4.040 2.795 2.194 3.135 . 0 0 "[ . 1 . 2]" 1
804 1 61 MET HA 1 61 MET QG . . 3.960 2.744 2.274 3.285 . 0 0 "[ . 1 . 2]" 1
805 1 61 MET HA 1 62 LEU H . . 3.180 2.244 2.202 2.303 . 0 0 "[ . 1 . 2]" 1
806 1 61 MET HB2 1 63 VAL QG . . 4.900 4.470 4.131 5.179 0.279 16 0 "[ . 1 . 2]" 1
807 1 61 MET QG 1 62 LEU H . . 4.090 3.675 2.972 4.195 0.105 15 0 "[ . 1 . 2]" 1
808 1 61 MET QG 1 63 VAL QG . . 3.170 2.293 1.876 3.222 0.052 18 0 "[ . 1 . 2]" 1
809 1 62 LEU H 1 62 LEU HB2 . . 3.750 2.431 2.106 3.642 . 0 0 "[ . 1 . 2]" 1
810 1 62 LEU H 1 62 LEU QD . . 3.950 2.399 1.794 3.068 . 0 0 "[ . 1 . 2]" 1
811 1 62 LEU H 1 62 LEU HG . . 3.730 3.464 2.416 3.788 0.058 1 0 "[ . 1 . 2]" 1
812 1 62 LEU H 1 63 VAL H . . 4.250 4.326 4.201 4.462 0.212 9 0 "[ . 1 . 2]" 1
813 1 62 LEU HA 1 62 LEU QD . . 4.230 2.882 2.041 3.453 . 0 0 "[ . 1 . 2]" 1
814 1 62 LEU HA 1 63 VAL H . . 3.380 2.193 2.177 2.225 . 0 0 "[ . 1 . 2]" 1
815 1 62 LEU HA 1 63 VAL QG . . 4.640 3.707 3.238 3.934 . 0 0 "[ . 1 . 2]" 1
816 1 62 LEU HB3 1 62 LEU HG . . 2.940 2.695 2.274 2.895 . 0 0 "[ . 1 . 2]" 1
817 1 62 LEU HB3 1 63 VAL H . . 4.640 3.814 3.521 4.351 . 0 0 "[ . 1 . 2]" 1
818 1 63 VAL H 1 63 VAL HB . . 3.840 2.472 2.325 3.394 . 0 0 "[ . 1 . 2]" 1
819 1 63 VAL H 1 63 VAL QG . . 3.950 2.517 1.741 2.772 . 0 0 "[ . 1 . 2]" 1
820 1 63 VAL HA 1 64 THR H . . 3.260 2.222 2.192 2.315 . 0 0 "[ . 1 . 2]" 1
821 1 63 VAL HA 1 64 THR HB . . 4.750 4.601 4.530 4.739 . 0 0 "[ . 1 . 2]" 1
822 1 63 VAL QG 1 64 THR H . . 4.370 2.514 2.062 2.774 . 0 0 "[ . 1 . 2]" 1
823 1 63 VAL QG 1 65 PHE QE . . 5.480 2.717 2.118 3.387 . 0 0 "[ . 1 . 2]" 1
824 1 63 VAL QG 1 65 PHE HZ . . 5.220 2.754 2.392 3.307 . 0 0 "[ . 1 . 2]" 1
825 1 64 THR H 1 64 THR HB . . 3.760 2.567 2.499 2.637 . 0 0 "[ . 1 . 2]" 1
826 1 64 THR H 1 65 PHE HA . . 4.960 4.942 4.864 5.000 0.040 4 0 "[ . 1 . 2]" 1
827 1 64 THR HA 1 65 PHE H . . 3.130 2.252 2.162 2.319 . 0 0 "[ . 1 . 2]" 1
828 1 64 THR HB 1 65 PHE H . . 5.120 4.019 3.854 4.196 . 0 0 "[ . 1 . 2]" 1
829 1 64 THR HB 1 65 PHE HA . . 4.760 4.758 4.622 4.846 0.086 20 0 "[ . 1 . 2]" 1
830 1 64 THR MG 1 65 PHE H . . 3.700 2.200 1.947 2.665 . 0 0 "[ . 1 . 2]" 1
831 1 64 THR MG 1 65 PHE HA . . 4.690 4.036 3.892 4.334 . 0 0 "[ . 1 . 2]" 1
832 1 65 PHE H 1 65 PHE HB3 . . 3.730 3.615 3.522 3.698 . 0 0 "[ . 1 . 2]" 1
833 1 65 PHE H 1 65 PHE QD . . 4.040 3.104 2.639 3.570 . 0 0 "[ . 1 . 2]" 1
834 1 65 PHE H 1 66 ALA H . . 5.130 4.435 4.383 4.545 . 0 0 "[ . 1 . 2]" 1
835 1 65 PHE HA 1 65 PHE QD . . 4.290 2.714 2.150 3.126 . 0 0 "[ . 1 . 2]" 1
836 1 65 PHE HA 1 66 ALA H . . 3.620 2.631 2.405 2.757 . 0 0 "[ . 1 . 2]" 1
837 1 65 PHE HA 1 66 ALA MB . . 5.440 4.025 3.898 4.098 . 0 0 "[ . 1 . 2]" 1
838 1 65 PHE HB2 1 66 ALA H . . 4.190 3.494 3.227 3.953 . 0 0 "[ . 1 . 2]" 1
839 1 65 PHE HB2 1 67 ASP H . . 4.110 3.766 3.422 4.185 0.075 20 0 "[ . 1 . 2]" 1
840 1 65 PHE HB3 1 66 ALA H . . 4.260 2.198 1.946 2.708 . 0 0 "[ . 1 . 2]" 1
841 1 65 PHE HB3 1 67 ASP H . . 4.430 2.690 2.432 2.987 . 0 0 "[ . 1 . 2]" 1
842 1 65 PHE HB3 1 71 ALA MB . . 5.500 4.306 3.616 4.895 . 0 0 "[ . 1 . 2]" 1
843 1 65 PHE QD 1 70 SER HB2 . . 4.900 4.206 3.238 4.859 . 0 0 "[ . 1 . 2]" 1
844 1 65 PHE QD 1 71 ALA H . . 5.500 4.136 3.507 4.652 . 0 0 "[ . 1 . 2]" 1
845 1 65 PHE QD 1 71 ALA MB . . 3.870 2.524 1.972 3.531 . 0 0 "[ . 1 . 2]" 1
846 1 65 PHE QE 1 71 ALA HA . . 3.990 3.488 2.779 3.991 0.001 1 0 "[ . 1 . 2]" 1
847 1 65 PHE QE 1 71 ALA MB . . 5.280 3.352 2.883 4.118 . 0 0 "[ . 1 . 2]" 1
848 1 65 PHE QE 1 74 VAL QG . . 3.810 2.889 2.401 3.395 . 0 0 "[ . 1 . 2]" 1
849 1 65 PHE HZ 1 74 VAL QG . . 3.720 2.722 1.958 3.310 . 0 0 "[ . 1 . 2]" 1
850 1 66 ALA H 1 66 ALA MB . . 3.580 2.132 2.006 2.274 . 0 0 "[ . 1 . 2]" 1
851 1 66 ALA H 1 67 ASP H . . 4.010 2.242 2.064 2.353 . 0 0 "[ . 1 . 2]" 1
852 1 66 ALA H 1 67 ASP HA . . 4.980 4.853 4.707 4.954 . 0 0 "[ . 1 . 2]" 1
853 1 66 ALA MB 1 67 ASP H . . 4.480 2.706 2.524 2.851 . 0 0 "[ . 1 . 2]" 1
854 1 66 ALA MB 1 67 ASP HB3 . . 5.030 5.011 4.797 5.158 0.128 11 0 "[ . 1 . 2]" 1
855 1 67 ASP H 1 67 ASP HB2 . . 3.980 2.374 2.147 2.661 . 0 0 "[ . 1 . 2]" 1
856 1 67 ASP H 1 68 SER HA . . 5.140 5.010 4.834 5.148 0.008 20 0 "[ . 1 . 2]" 1
857 1 67 ASP HA 1 68 SER H . . 3.480 2.484 2.261 2.606 . 0 0 "[ . 1 . 2]" 1
858 1 67 ASP HB2 1 68 SER H . . 5.450 3.920 3.384 4.337 . 0 0 "[ . 1 . 2]" 1
859 1 67 ASP HB2 1 70 SER H . . 3.900 3.253 2.261 4.042 0.142 6 0 "[ . 1 . 2]" 1
860 1 67 ASP HB3 1 68 SER H . . 4.620 2.743 2.341 3.668 . 0 0 "[ . 1 . 2]" 1
861 1 67 ASP HB3 1 70 SER H . . 4.840 2.677 2.248 3.431 . 0 0 "[ . 1 . 2]" 1
862 1 68 SER H 1 68 SER HB3 . . 4.030 2.667 2.256 2.852 . 0 0 "[ . 1 . 2]" 1
863 1 68 SER H 1 69 HIS H . . 2.750 2.352 2.249 2.612 . 0 0 "[ . 1 . 2]" 1
864 1 68 SER H 1 69 HIS HE1 . . 5.500 5.323 4.269 5.516 0.016 8 0 "[ . 1 . 2]" 1
865 1 68 SER HA 1 68 SER HB2 . . 2.440 2.448 2.352 2.571 0.131 9 0 "[ . 1 . 2]" 1
866 1 68 SER HA 1 70 SER H . . 4.920 4.251 3.700 4.769 . 0 0 "[ . 1 . 2]" 1
867 1 68 SER HA 1 71 ALA H . . 4.090 3.454 3.065 3.791 . 0 0 "[ . 1 . 2]" 1
868 1 68 SER HA 1 71 ALA MB . . 4.050 2.958 2.458 3.443 . 0 0 "[ . 1 . 2]" 1
869 1 68 SER HB2 1 71 ALA MB . . 4.600 4.183 3.751 4.605 0.005 5 0 "[ . 1 . 2]" 1
870 1 69 HIS H 1 69 HIS HB2 . . 3.800 3.060 2.694 3.545 . 0 0 "[ . 1 . 2]" 1
871 1 69 HIS H 1 69 HIS HB3 . . 4.190 3.141 2.225 3.550 . 0 0 "[ . 1 . 2]" 1
872 1 69 HIS H 1 70 SER H . . 3.910 2.855 2.426 3.047 . 0 0 "[ . 1 . 2]" 1
873 1 69 HIS H 1 71 ALA H . . 5.500 4.555 4.003 5.011 . 0 0 "[ . 1 . 2]" 1
874 1 69 HIS HA 1 69 HIS HD2 . . 4.640 3.319 2.670 4.607 . 0 0 "[ . 1 . 2]" 1
875 1 69 HIS HA 1 71 ALA MB . . 5.310 4.863 4.371 5.312 0.002 20 0 "[ . 1 . 2]" 1
876 1 69 HIS HA 1 72 LEU H . . 4.360 3.302 2.961 3.627 . 0 0 "[ . 1 . 2]" 1
877 1 69 HIS HA 1 72 LEU HB2 . . 4.050 3.250 1.998 4.078 0.028 5 0 "[ . 1 . 2]" 1
878 1 69 HIS HA 1 72 LEU HB3 . . 4.170 2.721 2.046 3.721 . 0 0 "[ . 1 . 2]" 1
879 1 69 HIS HA 1 72 LEU QD . . 4.020 2.622 1.890 3.781 . 0 0 "[ . 1 . 2]" 1
880 1 69 HIS HA 1 73 SER H . . 4.490 4.249 3.857 4.501 0.011 16 0 "[ . 1 . 2]" 1
881 1 69 HIS HB2 1 70 SER H . . 4.010 3.067 2.279 4.016 0.006 11 0 "[ . 1 . 2]" 1
882 1 69 HIS HB3 1 70 SER H . . 4.370 3.942 3.635 4.212 . 0 0 "[ . 1 . 2]" 1
883 1 69 HIS HD2 1 70 SER H . . 5.120 4.507 2.681 5.139 0.019 15 0 "[ . 1 . 2]" 1
884 1 69 HIS HD2 1 72 LEU QD . . 4.890 3.976 2.976 4.757 . 0 0 "[ . 1 . 2]" 1
885 1 70 SER H 1 70 SER HB2 . . 3.770 2.878 2.090 3.572 . 0 0 "[ . 1 . 2]" 1
886 1 70 SER H 1 70 SER HB3 . . 3.830 2.952 2.152 3.560 . 0 0 "[ . 1 . 2]" 1
887 1 70 SER H 1 71 ALA H . . 3.770 2.955 2.637 3.160 . 0 0 "[ . 1 . 2]" 1
888 1 70 SER H 1 71 ALA MB . . 5.020 4.426 4.155 4.604 . 0 0 "[ . 1 . 2]" 1
889 1 70 SER HB2 1 71 ALA H . . 4.800 3.103 2.281 4.079 . 0 0 "[ . 1 . 2]" 1
890 1 70 SER HB3 1 71 ALA H . . 4.300 3.374 2.318 4.063 . 0 0 "[ . 1 . 2]" 1
891 1 71 ALA H 1 71 ALA MB . . 3.430 2.039 1.938 2.180 . 0 0 "[ . 1 . 2]" 1
892 1 71 ALA H 1 72 LEU H . . 3.750 2.787 2.539 3.038 . 0 0 "[ . 1 . 2]" 1
893 1 71 ALA HA 1 74 VAL H . . 4.710 3.340 2.991 3.773 . 0 0 "[ . 1 . 2]" 1
894 1 71 ALA HA 1 74 VAL HB . . 4.640 2.772 2.011 4.559 . 0 0 "[ . 1 . 2]" 1
895 1 71 ALA HA 1 74 VAL QG . . 3.810 2.532 1.812 3.017 . 0 0 "[ . 1 . 2]" 1
896 1 71 ALA MB 1 72 LEU H . . 3.790 2.619 2.361 3.027 . 0 0 "[ . 1 . 2]" 1
897 1 71 ALA MB 1 74 VAL QG . . 4.510 3.620 3.043 3.992 . 0 0 "[ . 1 . 2]" 1
898 1 72 LEU H 1 72 LEU HB2 . . 3.480 2.693 1.999 3.312 . 0 0 "[ . 1 . 2]" 1
899 1 72 LEU H 1 72 LEU HB3 . . 3.930 2.449 1.984 3.350 . 0 0 "[ . 1 . 2]" 1
900 1 72 LEU H 1 72 LEU QD . . 4.280 3.489 2.705 3.705 . 0 0 "[ . 1 . 2]" 1
901 1 72 LEU H 1 72 LEU HG . . 3.900 3.734 3.324 3.919 0.019 3 0 "[ . 1 . 2]" 1
902 1 72 LEU H 1 74 VAL H . . 4.450 4.254 3.942 4.496 0.046 15 0 "[ . 1 . 2]" 1
903 1 72 LEU HA 1 72 LEU QD . . 3.290 2.550 1.964 2.991 . 0 0 "[ . 1 . 2]" 1
904 1 72 LEU HA 1 72 LEU HG . . 3.920 3.164 2.068 3.722 . 0 0 "[ . 1 . 2]" 1
905 1 72 LEU HA 1 75 LEU H . . 3.840 3.382 2.907 3.750 . 0 0 "[ . 1 . 2]" 1
906 1 72 LEU HA 1 75 LEU HB2 . . 3.720 2.363 1.987 2.807 . 0 0 "[ . 1 . 2]" 1
907 1 72 LEU HA 1 75 LEU QD . . 3.830 2.273 1.875 3.496 . 0 0 "[ . 1 . 2]" 1
908 1 72 LEU HA 1 75 LEU HG . . 4.170 3.842 2.778 4.229 0.059 8 0 "[ . 1 . 2]" 1
909 1 72 LEU HB2 1 73 SER H . . 3.970 3.767 3.102 4.194 0.224 8 0 "[ . 1 . 2]" 1
910 1 72 LEU HB3 1 73 SER H . . 3.900 2.984 2.352 3.497 . 0 0 "[ . 1 . 2]" 1
911 1 72 LEU QD 1 73 SER H . . 4.830 3.407 2.923 4.230 . 0 0 "[ . 1 . 2]" 1
912 1 72 LEU QD 1 73 SER HA . . 5.070 3.288 2.370 4.810 . 0 0 "[ . 1 . 2]" 1
913 1 73 SER H 1 73 SER HB2 . . 3.290 2.209 2.019 3.172 . 0 0 "[ . 1 . 2]" 1
914 1 73 SER H 1 73 SER HB3 . . 3.310 3.319 3.223 3.370 0.060 1 0 "[ . 1 . 2]" 1
915 1 73 SER H 1 74 VAL H . . 3.630 2.760 2.554 3.014 . 0 0 "[ . 1 . 2]" 1
916 1 73 SER H 1 75 LEU H . . 3.830 3.833 3.623 3.973 0.143 11 0 "[ . 1 . 2]" 1
917 1 73 SER HA 1 75 LEU H . . 5.500 3.984 3.621 4.300 . 0 0 "[ . 1 . 2]" 1
918 1 73 SER HA 1 76 ASP H . . 4.350 3.332 2.956 3.865 . 0 0 "[ . 1 . 2]" 1
919 1 73 SER HA 1 76 ASP HB2 . . 4.870 2.952 2.377 3.759 . 0 0 "[ . 1 . 2]" 1
920 1 73 SER HB2 1 74 VAL H . . 4.080 2.928 2.401 3.408 . 0 0 "[ . 1 . 2]" 1
921 1 73 SER HB3 1 74 VAL H . . 3.890 3.114 2.368 3.922 0.032 17 0 "[ . 1 . 2]" 1
922 1 74 VAL H 1 74 VAL HB . . 3.600 2.453 2.291 3.522 . 0 0 "[ . 1 . 2]" 1
923 1 74 VAL H 1 74 VAL QG . . 3.760 2.123 1.892 2.484 . 0 0 "[ . 1 . 2]" 1
924 1 74 VAL H 1 75 LEU H . . 2.800 2.598 2.227 2.827 0.027 15 0 "[ . 1 . 2]" 1
925 1 74 VAL H 1 75 LEU QD . . 5.500 4.483 3.319 5.114 . 0 0 "[ . 1 . 2]" 1
926 1 74 VAL H 1 77 VAL QG . . 5.500 4.043 3.180 5.141 . 0 0 "[ . 1 . 2]" 1
927 1 74 VAL HA 1 77 VAL H . . 5.290 3.214 2.645 3.561 . 0 0 "[ . 1 . 2]" 1
928 1 74 VAL HA 1 77 VAL QG . . 3.760 2.350 1.751 3.493 . 0 0 "[ . 1 . 2]" 1
929 1 74 VAL HB 1 75 LEU H . . 3.990 3.330 2.898 4.145 0.155 3 0 "[ . 1 . 2]" 1
930 1 74 VAL QG 1 75 LEU H . . 4.060 3.131 2.054 3.578 . 0 0 "[ . 1 . 2]" 1
931 1 74 VAL QG 1 77 VAL QG . . 3.700 2.935 1.924 3.656 . 0 0 "[ . 1 . 2]" 1
932 1 74 VAL QG 1 80 MET ME . . 3.560 2.950 2.298 3.466 . 0 0 "[ . 1 . 2]" 1
933 1 74 VAL QG 1 89 ILE MG . . 3.060 2.527 2.025 3.042 . 0 0 "[ . 1 . 2]" 1
934 1 75 LEU H 1 75 LEU HB2 . . 3.310 2.196 2.072 2.384 . 0 0 "[ . 1 . 2]" 1
935 1 75 LEU H 1 75 LEU HB3 . . 4.120 3.472 3.389 3.585 . 0 0 "[ . 1 . 2]" 1
936 1 75 LEU H 1 75 LEU QD . . 4.280 3.011 2.053 3.452 . 0 0 "[ . 1 . 2]" 1
937 1 75 LEU H 1 75 LEU HG . . 3.740 3.058 2.533 3.846 0.106 11 0 "[ . 1 . 2]" 1
938 1 75 LEU H 1 76 ASP H . . 2.770 2.535 2.193 2.798 0.028 10 0 "[ . 1 . 2]" 1
939 1 75 LEU H 1 76 ASP HA . . 5.280 5.076 4.768 5.295 0.015 10 0 "[ . 1 . 2]" 1
940 1 75 LEU H 1 76 ASP HB2 . . 5.500 4.430 4.026 4.962 . 0 0 "[ . 1 . 2]" 1
941 1 75 LEU HA 1 75 LEU QD . . 3.330 2.162 1.884 2.561 . 0 0 "[ . 1 . 2]" 1
942 1 75 LEU HA 1 75 LEU HG . . 3.380 2.689 2.308 3.571 0.191 3 0 "[ . 1 . 2]" 1
943 1 75 LEU HA 1 77 VAL H . . 5.490 4.670 3.950 5.152 . 0 0 "[ . 1 . 2]" 1
944 1 75 LEU HA 1 89 ILE HB . . 4.890 2.759 2.362 3.516 . 0 0 "[ . 1 . 2]" 1
945 1 75 LEU HA 1 89 ILE MG . . 4.000 2.926 2.255 3.626 . 0 0 "[ . 1 . 2]" 1
946 1 75 LEU HB2 1 76 ASP H . . 4.010 3.040 2.447 3.396 . 0 0 "[ . 1 . 2]" 1
947 1 75 LEU HB3 1 76 ASP H . . 4.650 3.654 3.072 4.155 . 0 0 "[ . 1 . 2]" 1
948 1 75 LEU QD 1 76 ASP H . . 4.950 4.205 3.937 4.447 . 0 0 "[ . 1 . 2]" 1
949 1 75 LEU QD 1 90 SER HA . . 4.200 2.776 2.111 3.610 . 0 0 "[ . 1 . 2]" 1
950 1 75 LEU QD 1 91 GLY H . . 4.670 3.558 3.101 4.087 . 0 0 "[ . 1 . 2]" 1
951 1 75 LEU QD 1 91 GLY HA2 . . 4.480 3.435 3.004 3.872 . 0 0 "[ . 1 . 2]" 1
952 1 75 LEU QD 1 91 GLY HA3 . . 4.670 3.406 2.763 3.965 . 0 0 "[ . 1 . 2]" 1
953 1 76 ASP H 1 76 ASP HB2 . . 3.850 2.185 2.047 2.594 . 0 0 "[ . 1 . 2]" 1
954 1 76 ASP H 1 76 ASP HB3 . . 3.830 3.232 2.830 3.554 . 0 0 "[ . 1 . 2]" 1
955 1 76 ASP H 1 77 VAL H . . 3.640 2.386 2.163 2.614 . 0 0 "[ . 1 . 2]" 1
956 1 76 ASP HB2 1 77 VAL H . . 4.520 2.970 2.196 3.643 . 0 0 "[ . 1 . 2]" 1
957 1 76 ASP HB3 1 77 VAL H . . 4.410 3.029 2.309 4.111 . 0 0 "[ . 1 . 2]" 1
958 1 76 ASP HB3 1 77 VAL HA . . 5.110 3.916 3.667 4.629 . 0 0 "[ . 1 . 2]" 1
959 1 76 ASP HB3 1 77 VAL QG . . 5.330 3.807 2.813 4.646 . 0 0 "[ . 1 . 2]" 1
960 1 77 VAL H 1 77 VAL HB . . 3.930 2.302 2.063 2.522 . 0 0 "[ . 1 . 2]" 1
961 1 77 VAL H 1 77 VAL QG . . 3.800 2.300 1.934 2.696 . 0 0 "[ . 1 . 2]" 1
962 1 77 VAL H 1 78 ASP H . . 4.290 2.565 2.342 2.751 . 0 0 "[ . 1 . 2]" 1
963 1 77 VAL HA 1 77 VAL QG . . 3.290 2.128 1.999 2.260 . 0 0 "[ . 1 . 2]" 1
964 1 77 VAL HA 1 78 ASP H . . 3.620 3.425 3.382 3.500 . 0 0 "[ . 1 . 2]" 1
965 1 77 VAL HA 1 78 ASP HA . . 5.500 4.939 4.910 4.969 . 0 0 "[ . 1 . 2]" 1
966 1 77 VAL HB 1 78 ASP H . . 5.380 3.697 3.157 4.267 . 0 0 "[ . 1 . 2]" 1
967 1 77 VAL QG 1 78 ASP H . . 4.770 3.139 2.371 3.632 . 0 0 "[ . 1 . 2]" 1
968 1 77 VAL QG 1 79 GLY H . . 5.500 4.164 3.856 4.579 . 0 0 "[ . 1 . 2]" 1
969 1 77 VAL QG 1 80 MET H . . 4.240 3.103 2.942 3.294 . 0 0 "[ . 1 . 2]" 1
970 1 77 VAL QG 1 80 MET HA . . 4.510 4.139 3.807 4.465 . 0 0 "[ . 1 . 2]" 1
971 1 77 VAL QG 1 80 MET QB . . 3.380 2.291 1.904 2.675 . 0 0 "[ . 1 . 2]" 1
972 1 77 VAL QG 1 80 MET ME . . 2.980 2.633 1.815 3.034 0.054 10 0 "[ . 1 . 2]" 1
973 1 78 ASP H 1 78 ASP HB2 . . 3.850 3.212 2.311 3.573 . 0 0 "[ . 1 . 2]" 1
974 1 78 ASP H 1 78 ASP HB3 . . 3.840 2.520 2.162 3.576 . 0 0 "[ . 1 . 2]" 1
975 1 78 ASP H 1 79 GLY H . . 5.020 2.948 2.853 3.102 . 0 0 "[ . 1 . 2]" 1
976 1 78 ASP HA 1 79 GLY H . . 3.620 3.604 3.566 3.649 0.029 8 0 "[ . 1 . 2]" 1
977 1 78 ASP HA 1 80 MET H . . 5.500 3.637 3.476 4.095 . 0 0 "[ . 1 . 2]" 1
978 1 78 ASP HA 1 89 ILE H . . 4.830 4.126 2.968 4.809 . 0 0 "[ . 1 . 2]" 1
979 1 78 ASP HA 1 89 ILE HB . . 4.550 3.759 3.287 4.543 . 0 0 "[ . 1 . 2]" 1
980 1 78 ASP HA 1 89 ILE MD . . 5.340 1.992 1.769 2.359 . 0 0 "[ . 1 . 2]" 1
981 1 78 ASP HB2 1 79 GLY H . . 4.890 3.690 2.368 4.113 . 0 0 "[ . 1 . 2]" 1
982 1 78 ASP HB2 1 89 ILE HB . . 5.030 2.996 1.982 5.051 0.021 13 0 "[ . 1 . 2]" 1
983 1 78 ASP HB3 1 79 GLY H . . 4.840 3.577 2.533 3.987 . 0 0 "[ . 1 . 2]" 1
984 1 78 ASP HB3 1 89 ILE HB . . 5.040 2.917 1.994 4.947 . 0 0 "[ . 1 . 2]" 1
985 1 80 MET H 1 80 MET QB . . 3.390 2.230 2.068 2.379 . 0 0 "[ . 1 . 2]" 1
986 1 80 MET H 1 80 MET HG3 . . 4.230 3.852 3.239 4.372 0.142 8 0 "[ . 1 . 2]" 1
987 1 80 MET H 1 87 VAL QG . . 4.250 3.977 3.668 4.207 . 0 0 "[ . 1 . 2]" 1
988 1 80 MET HA 1 80 MET HG2 . . 4.010 3.676 3.547 3.890 . 0 0 "[ . 1 . 2]" 1
989 1 80 MET HA 1 80 MET HG3 . . 4.170 3.743 2.517 4.122 . 0 0 "[ . 1 . 2]" 1
990 1 80 MET HA 1 81 LYS H . . 3.000 2.492 2.284 2.645 . 0 0 "[ . 1 . 2]" 1
991 1 80 MET HA 1 81 LYS QB . . 4.580 4.162 4.027 4.279 . 0 0 "[ . 1 . 2]" 1
992 1 80 MET HA 1 87 VAL QG . . 4.540 4.488 4.365 4.547 0.007 20 0 "[ . 1 . 2]" 1
993 1 80 MET QB 1 81 LYS H . . 4.480 2.623 2.207 3.664 . 0 0 "[ . 1 . 2]" 1
994 1 80 MET ME 1 80 MET HG2 . . 3.560 2.541 2.119 3.273 . 0 0 "[ . 1 . 2]" 1
995 1 80 MET ME 1 89 ILE MD . . 3.900 2.502 1.915 3.651 . 0 0 "[ . 1 . 2]" 1
996 1 80 MET HG2 1 81 LYS H . . 3.860 4.092 3.277 4.846 0.986 11 7 "[ * - * 1+* *.* 2]" 1
997 1 80 MET HG2 1 82 VAL QG . . 3.790 3.913 2.858 4.226 0.436 14 0 "[ . 1 . 2]" 1
998 1 80 MET HG2 1 87 VAL QG . . 3.650 2.436 1.863 2.994 . 0 0 "[ . 1 . 2]" 1
999 1 80 MET HG2 1 89 ILE MD . . 4.460 3.853 3.209 4.458 . 0 0 "[ . 1 . 2]" 1
1000 1 80 MET HG3 1 82 VAL QG . . 4.250 3.176 2.730 4.141 . 0 0 "[ . 1 . 2]" 1
1001 1 80 MET HG3 1 87 VAL QG . . 4.030 2.652 2.155 3.854 . 0 0 "[ . 1 . 2]" 1
1002 1 81 LYS H 1 81 LYS QD . . 4.620 3.608 1.924 4.445 . 0 0 "[ . 1 . 2]" 1
1003 1 81 LYS H 1 81 LYS HG2 . . 4.460 4.576 2.821 4.797 0.337 17 0 "[ . 1 . 2]" 1
1004 1 81 LYS H 1 81 LYS HG3 . . 5.280 3.650 3.478 4.046 . 0 0 "[ . 1 . 2]" 1
1005 1 81 LYS HA 1 81 LYS HG3 . . 4.250 2.300 2.119 4.206 . 0 0 "[ . 1 . 2]" 1
1006 1 81 LYS HA 1 82 VAL H . . 3.200 2.246 2.188 2.413 . 0 0 "[ . 1 . 2]" 1
1007 1 81 LYS HA 1 86 ALA H . . 5.350 4.855 4.457 5.228 . 0 0 "[ . 1 . 2]" 1
1008 1 81 LYS HA 1 86 ALA HA . . 3.640 2.587 2.003 2.950 . 0 0 "[ . 1 . 2]" 1
1009 1 81 LYS HA 1 87 VAL H . . 3.930 2.729 2.235 3.199 . 0 0 "[ . 1 . 2]" 1
1010 1 81 LYS QB 1 81 LYS QD . . 3.290 2.062 1.940 2.254 . 0 0 "[ . 1 . 2]" 1
1011 1 81 LYS QB 1 82 VAL H . . 4.400 3.123 2.630 3.376 . 0 0 "[ . 1 . 2]" 1
1012 1 81 LYS QB 1 84 GLY H . . 4.380 3.332 2.949 4.230 . 0 0 "[ . 1 . 2]" 1
1013 1 81 LYS QB 1 84 GLY HA2 . . 4.830 3.059 2.731 3.592 . 0 0 "[ . 1 . 2]" 1
1014 1 81 LYS QB 1 84 GLY HA3 . . 4.790 4.481 4.117 4.754 . 0 0 "[ . 1 . 2]" 1
1015 1 81 LYS QD 1 81 LYS HG2 . . 2.740 2.338 2.181 2.554 . 0 0 "[ . 1 . 2]" 1
1016 1 81 LYS QD 1 84 GLY HA2 . . 4.760 4.525 4.099 4.778 0.018 10 0 "[ . 1 . 2]" 1
1017 1 81 LYS HG2 1 82 VAL H . . 4.200 4.169 3.729 4.339 0.139 9 0 "[ . 1 . 2]" 1
1018 1 81 LYS HG3 1 82 VAL H . . 4.330 4.214 4.022 4.395 0.065 13 0 "[ . 1 . 2]" 1
1019 1 81 LYS HG3 1 86 ALA HA . . 4.100 2.239 1.995 4.167 0.067 20 0 "[ . 1 . 2]" 1
1020 1 81 LYS HG3 1 86 ALA MB . . 3.900 3.053 2.731 4.054 0.154 20 0 "[ . 1 . 2]" 1
1021 1 82 VAL H 1 82 VAL HB . . 3.960 2.785 2.275 3.770 . 0 0 "[ . 1 . 2]" 1
1022 1 82 VAL H 1 82 VAL QG . . 3.900 2.364 1.844 2.900 . 0 0 "[ . 1 . 2]" 1
1023 1 82 VAL H 1 83 LYS H . . 5.090 4.338 4.206 4.381 . 0 0 "[ . 1 . 2]" 1
1024 1 82 VAL H 1 84 GLY H . . 4.810 4.073 3.550 4.451 . 0 0 "[ . 1 . 2]" 1
1025 1 82 VAL H 1 85 ARG H . . 4.070 3.210 2.842 3.552 . 0 0 "[ . 1 . 2]" 1
1026 1 82 VAL H 1 85 ARG HB3 . . 4.410 4.029 3.268 4.670 0.260 2 0 "[ . 1 . 2]" 1
1027 1 82 VAL H 1 86 ALA HA . . 4.680 3.727 3.370 3.956 . 0 0 "[ . 1 . 2]" 1
1028 1 82 VAL H 1 87 VAL H . . 3.910 3.743 3.333 3.941 0.031 14 0 "[ . 1 . 2]" 1
1029 1 82 VAL H 1 87 VAL QG . . 5.020 2.858 2.100 3.753 . 0 0 "[ . 1 . 2]" 1
1030 1 82 VAL HA 1 83 LYS H . . 3.180 2.188 2.182 2.202 . 0 0 "[ . 1 . 2]" 1
1031 1 82 VAL HA 1 83 LYS HA . . 4.260 4.333 4.330 4.341 0.081 7 0 "[ . 1 . 2]" 1
1032 1 82 VAL HA 1 84 GLY H . . 5.260 3.651 3.291 4.590 . 0 0 "[ . 1 . 2]" 1
1033 1 82 VAL HB 1 83 LYS H . . 4.960 4.254 3.361 4.530 . 0 0 "[ . 1 . 2]" 1
1034 1 82 VAL HB 1 87 VAL QG . . 4.240 3.242 1.943 4.037 . 0 0 "[ . 1 . 2]" 1
1035 1 82 VAL QG 1 83 LYS H . . 3.720 2.766 2.432 3.547 . 0 0 "[ . 1 . 2]" 1
1036 1 82 VAL QG 1 83 LYS HB2 . . 3.800 2.608 2.241 3.102 . 0 0 "[ . 1 . 2]" 1
1037 1 82 VAL QG 1 83 LYS HB3 . . 5.190 3.953 3.558 4.339 . 0 0 "[ . 1 . 2]" 1
1038 1 82 VAL QG 1 83 LYS QD . . 4.400 3.114 2.005 4.287 . 0 0 "[ . 1 . 2]" 1
1039 1 82 VAL QG 1 83 LYS QG . . 4.520 3.557 2.178 4.424 . 0 0 "[ . 1 . 2]" 1
1040 1 82 VAL QG 1 84 GLY H . . 4.700 4.239 3.719 4.429 . 0 0 "[ . 1 . 2]" 1
1041 1 83 LYS H 1 83 LYS QG . . 4.370 3.326 2.557 3.939 . 0 0 "[ . 1 . 2]" 1
1042 1 83 LYS H 1 84 GLY H . . 4.270 2.729 2.635 3.853 . 0 0 "[ . 1 . 2]" 1
1043 1 83 LYS HA 1 83 LYS QD . . 4.640 3.316 2.142 3.896 . 0 0 "[ . 1 . 2]" 1
1044 1 83 LYS HA 1 83 LYS QG . . 3.850 2.102 1.948 2.315 . 0 0 "[ . 1 . 2]" 1
1045 1 83 LYS HA 1 84 GLY HA2 . . 5.290 4.757 4.680 4.816 . 0 0 "[ . 1 . 2]" 1
1046 1 83 LYS HB2 1 84 GLY H . . 4.750 4.310 3.256 4.541 . 0 0 "[ . 1 . 2]" 1
1047 1 83 LYS HB3 1 83 LYS QE . . 4.930 3.938 2.235 4.533 . 0 0 "[ . 1 . 2]" 1
1048 1 83 LYS HB3 1 84 GLY H . . 5.340 4.285 2.173 4.554 . 0 0 "[ . 1 . 2]" 1
1049 1 83 LYS QE 1 83 LYS QG . . 3.150 2.183 1.961 2.414 . 0 0 "[ . 1 . 2]" 1
1050 1 84 GLY H 1 85 ARG H . . 4.070 2.598 1.801 2.752 . 0 0 "[ . 1 . 2]" 1
1051 1 85 ARG H 1 85 ARG HB2 . . 3.870 2.293 2.085 2.885 . 0 0 "[ . 1 . 2]" 1
1052 1 85 ARG H 1 85 ARG HB3 . . 3.660 3.309 2.546 3.641 . 0 0 "[ . 1 . 2]" 1
1053 1 85 ARG H 1 85 ARG QD . . 5.130 4.031 2.726 4.897 . 0 0 "[ . 1 . 2]" 1
1054 1 85 ARG H 1 85 ARG HG2 . . 4.610 4.014 2.830 4.705 0.095 10 0 "[ . 1 . 2]" 1
1055 1 85 ARG H 1 85 ARG HG3 . . 4.420 3.983 2.623 4.576 0.156 17 0 "[ . 1 . 2]" 1
1056 1 85 ARG H 1 86 ALA H . . 5.270 4.475 4.249 4.589 . 0 0 "[ . 1 . 2]" 1
1057 1 85 ARG HA 1 85 ARG QD . . 3.830 3.052 2.424 3.857 0.027 18 0 "[ . 1 . 2]" 1
1058 1 85 ARG HA 1 86 ALA H . . 3.050 2.258 2.225 2.304 . 0 0 "[ . 1 . 2]" 1
1059 1 85 ARG HB2 1 86 ALA H . . 4.990 4.445 4.169 4.730 . 0 0 "[ . 1 . 2]" 1
1060 1 85 ARG HB3 1 86 ALA H . . 4.650 3.558 3.110 4.286 . 0 0 "[ . 1 . 2]" 1
1061 1 85 ARG QD 1 86 ALA H . . 4.830 4.143 2.631 4.876 0.046 10 0 "[ . 1 . 2]" 1
1062 1 85 ARG HG3 1 86 ALA H . . 4.950 4.315 2.607 5.407 0.457 1 0 "[ . 1 . 2]" 1
1063 1 86 ALA H 1 86 ALA MB . . 3.340 2.040 1.949 2.176 . 0 0 "[ . 1 . 2]" 1
1064 1 86 ALA H 1 87 VAL H . . 5.060 4.528 4.428 4.595 . 0 0 "[ . 1 . 2]" 1
1065 1 86 ALA HA 1 87 VAL H . . 3.220 2.193 2.187 2.212 . 0 0 "[ . 1 . 2]" 1
1066 1 86 ALA HA 1 87 VAL QG . . 4.870 3.451 3.258 3.802 . 0 0 "[ . 1 . 2]" 1
1067 1 86 ALA MB 1 87 VAL H . . 4.090 3.284 3.147 3.445 . 0 0 "[ . 1 . 2]" 1
1068 1 86 ALA MB 1 87 VAL QG . . 5.400 4.116 3.942 4.296 . 0 0 "[ . 1 . 2]" 1
1069 1 87 VAL H 1 87 VAL QG . . 3.650 1.897 1.837 2.060 . 0 0 "[ . 1 . 2]" 1
1070 1 87 VAL HA 1 87 VAL QG . . 3.240 2.328 2.196 2.464 . 0 0 "[ . 1 . 2]" 1
1071 1 87 VAL HA 1 88 LYS H . . 3.140 2.438 2.285 2.540 . 0 0 "[ . 1 . 2]" 1
1072 1 87 VAL HB 1 88 LYS H . . 3.670 3.479 2.613 3.863 0.193 12 0 "[ . 1 . 2]" 1
1073 1 87 VAL QG 1 88 LYS H . . 3.840 2.303 1.795 3.429 . 0 0 "[ . 1 . 2]" 1
1074 1 88 LYS H 1 88 LYS HG3 . . 4.720 4.528 4.274 4.794 0.074 10 0 "[ . 1 . 2]" 1
1075 1 88 LYS HA 1 88 LYS HD2 . . 4.630 3.940 2.987 4.584 . 0 0 "[ . 1 . 2]" 1
1076 1 88 LYS HA 1 89 ILE H . . 3.080 2.213 2.177 2.339 . 0 0 "[ . 1 . 2]" 1
1077 1 88 LYS HA 1 89 ILE MD . . 4.660 3.762 2.977 4.508 . 0 0 "[ . 1 . 2]" 1
1078 1 88 LYS HB2 1 88 LYS HD2 . . 3.270 2.611 1.970 3.286 0.016 12 0 "[ . 1 . 2]" 1
1079 1 88 LYS HG2 1 89 ILE H . . 4.770 3.534 2.608 4.631 . 0 0 "[ . 1 . 2]" 1
1080 1 88 LYS HG3 1 89 ILE H . . 4.310 3.267 1.954 4.374 0.064 12 0 "[ . 1 . 2]" 1
1081 1 89 ILE H 1 89 ILE HB . . 3.680 2.581 2.338 2.722 . 0 0 "[ . 1 . 2]" 1
1082 1 89 ILE H 1 89 ILE MD . . 4.690 2.994 2.096 3.874 . 0 0 "[ . 1 . 2]" 1
1083 1 89 ILE H 1 89 ILE HG12 . . 4.100 4.227 3.965 4.489 0.389 17 0 "[ . 1 . 2]" 1
1084 1 89 ILE H 1 89 ILE HG13 . . 4.480 3.016 2.564 3.501 . 0 0 "[ . 1 . 2]" 1
1085 1 89 ILE H 1 89 ILE MG . . 4.520 3.811 3.700 3.878 . 0 0 "[ . 1 . 2]" 1
1086 1 89 ILE HA 1 89 ILE MD . . 4.570 3.731 3.366 3.915 . 0 0 "[ . 1 . 2]" 1
1087 1 89 ILE HA 1 89 ILE MG . . 3.670 2.413 2.267 2.520 . 0 0 "[ . 1 . 2]" 1
1088 1 89 ILE HA 1 90 SER H . . 3.300 2.186 2.176 2.255 . 0 0 "[ . 1 . 2]" 1
1089 1 89 ILE HG13 1 89 ILE MG . . 3.250 3.018 2.737 3.212 . 0 0 "[ . 1 . 2]" 1
1090 1 89 ILE MG 1 90 SER H . . 3.630 2.799 2.360 3.076 . 0 0 "[ . 1 . 2]" 1
1091 1 90 SER QB 1 91 GLY H . . 3.560 2.370 2.009 3.072 . 0 0 "[ . 1 . 2]" 1
1092 1 91 GLY H 1 92 PRO QD . . 4.290 3.967 3.689 4.074 . 0 0 "[ . 1 . 2]" 1
1093 1 91 GLY HA2 1 92 PRO QD . . 2.430 2.047 1.858 2.527 0.097 4 0 "[ . 1 . 2]" 1
1094 1 91 GLY HA2 1 92 PRO HG3 . . 4.790 4.397 4.212 4.789 . 0 0 "[ . 1 . 2]" 1
1095 1 91 GLY HA3 1 92 PRO QD . . 3.580 2.902 2.075 3.287 . 0 0 "[ . 1 . 2]" 1
1096 1 92 PRO QD 1 93 SER H . . 5.110 3.359 2.234 4.727 . 0 0 "[ . 1 . 2]" 1
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