NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634404 |
6gsf   |
34286 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gsf
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 1017
_Distance_constraint_stats_list.Viol_count 2239
_Distance_constraint_stats_list.Viol_total 3058.567
_Distance_constraint_stats_list.Viol_max 0.708
_Distance_constraint_stats_list.Viol_rms 0.0337
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0683
_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 HIS 0.088 0.072 14 0 "[ . 1 . 2]"
1 9 LEU 0.550 0.172 16 0 "[ . 1 . 2]"
1 10 PRO 0.351 0.084 11 0 "[ . 1 . 2]"
1 11 THR 0.330 0.084 11 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.376 0.117 19 0 "[ . 1 . 2]"
1 14 ARG 0.458 0.169 3 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 4.651 0.501 2 1 "[ + . 1 . 2]"
1 19 ASP 5.733 0.501 2 1 "[ + . 1 . 2]"
1 20 GLY 1.761 0.484 19 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 2.349 0.308 19 0 "[ . 1 . 2]"
1 23 SER 2.492 0.296 19 0 "[ . 1 . 2]"
1 24 VAL 2.434 0.334 8 0 "[ . 1 . 2]"
1 25 ASP 2.117 0.272 19 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.622 0.108 14 0 "[ . 1 . 2]"
1 28 GLY 1.228 0.192 17 0 "[ . 1 . 2]"
1 29 ASN 1.962 0.169 17 0 "[ . 1 . 2]"
1 30 LEU 7.624 0.463 19 0 "[ . 1 . 2]"
1 31 LEU 5.076 0.334 8 0 "[ . 1 . 2]"
1 32 ILE 1.174 0.416 3 0 "[ . 1 . 2]"
1 33 THR 1.501 0.376 14 0 "[ . 1 . 2]"
1 34 ARG 3.029 0.629 3 1 "[ + . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 1.921 0.349 3 0 "[ . 1 . 2]"
1 37 ARG 3.153 0.629 3 1 "[ + . 1 . 2]"
1 38 ASN 5.160 0.273 20 0 "[ . 1 . 2]"
1 39 LEU 8.620 0.471 3 0 "[ . 1 . 2]"
1 40 PHE 2.941 0.349 3 0 "[ . 1 . 2]"
1 41 ASP 3.083 0.178 3 0 "[ . 1 . 2]"
1 42 ALA 2.582 0.318 19 0 "[ . 1 . 2]"
1 43 PHE 2.007 0.424 3 0 "[ . 1 . 2]"
1 44 LEU 3.418 0.424 3 0 "[ . 1 . 2]"
1 45 SER 1.259 0.230 18 0 "[ . 1 . 2]"
1 46 ALA 1.191 0.230 18 0 "[ . 1 . 2]"
1 47 VAL 1.082 0.291 6 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 1.136 0.118 8 0 "[ . 1 . 2]"
1 51 PRO 1.136 0.118 8 0 "[ . 1 . 2]"
1 52 LEU 1.189 0.186 5 0 "[ . 1 . 2]"
1 53 GLN 1.251 0.180 12 0 "[ . 1 . 2]"
1 54 GLN 4.697 0.342 3 0 "[ . 1 . 2]"
1 55 SER 2.292 0.342 3 0 "[ . 1 . 2]"
1 56 LEU 3.779 0.198 3 0 "[ . 1 . 2]"
1 57 ASP 4.895 0.207 3 0 "[ . 1 . 2]"
1 58 ARG 5.940 0.279 9 0 "[ . 1 . 2]"
1 59 LEU 5.371 0.279 9 0 "[ . 1 . 2]"
1 60 ARG 7.064 0.214 13 0 "[ . 1 . 2]"
1 61 ALA 6.278 0.329 3 0 "[ . 1 . 2]"
1 62 TYR 5.697 0.430 3 0 "[ . 1 . 2]"
1 63 ILE 14.111 0.443 19 0 "[ . 1 . 2]"
1 64 ALA 3.820 0.200 19 0 "[ . 1 . 2]"
1 65 ALA 1.969 0.200 19 0 "[ . 1 . 2]"
1 66 GLU 2.124 0.335 11 0 "[ . 1 . 2]"
1 67 LEU 4.049 0.319 19 0 "[ . 1 . 2]"
1 68 GLN 9.995 0.463 19 0 "[ . 1 . 2]"
1 69 GLU 2.062 0.173 1 0 "[ . 1 . 2]"
1 70 PRO 4.982 0.334 19 0 "[ . 1 . 2]"
1 71 ALA 3.065 0.340 3 0 "[ . 1 . 2]"
1 72 ARG 7.003 0.388 19 0 "[ . 1 . 2]"
1 73 GLY 7.905 0.472 3 0 "[ . 1 . 2]"
1 74 GLN 15.536 0.600 3 2 "[ + . 1 . -2]"
1 75 ALA 9.197 0.675 19 2 "[ * . 1 . +2]"
1 76 LEU 10.836 0.675 19 2 "[ - . 1 . +2]"
1 77 ALA 6.946 0.584 19 1 "[ . 1 . +2]"
1 78 LEU 2.706 0.708 19 2 "[ - . 1 . +2]"
1 79 MET 3.763 0.370 3 0 "[ . 1 . 2]"
1 80 GLN 4.032 0.454 19 0 "[ . 1 . 2]"
1 81 GLN 8.516 0.708 19 2 "[ - . 1 . +2]"
1 82 TYR 1.502 0.486 19 0 "[ . 1 . 2]"
1 83 ILE 6.115 0.370 3 0 "[ . 1 . 2]"
1 84 ASP 2.374 0.239 3 0 "[ . 1 . 2]"
1 85 TYR 2.497 0.271 3 0 "[ . 1 . 2]"
1 86 LYS 2.296 0.263 3 0 "[ . 1 . 2]"
1 87 LYS 3.662 0.220 14 0 "[ . 1 . 2]"
1 88 GLU 0.503 0.105 9 0 "[ . 1 . 2]"
1 89 LEU 0.582 0.171 10 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 HIS H 1 9 LEU H . . 5.500 3.694 2.217 4.463 . 0 0 "[ . 1 . 2]" 1
2 1 8 HIS HA 1 8 HIS HD2 . . 3.210 2.661 2.265 3.282 0.072 14 0 "[ . 1 . 2]" 1
3 1 8 HIS QB 1 9 LEU H . . 4.400 3.458 2.105 4.061 . 0 0 "[ . 1 . 2]" 1
4 1 9 LEU H 1 9 LEU HB2 . . 4.070 3.005 2.338 3.827 . 0 0 "[ . 1 . 2]" 1
5 1 9 LEU H 1 9 LEU QB . . 3.490 2.745 2.309 3.353 . 0 0 "[ . 1 . 2]" 1
6 1 9 LEU H 1 9 LEU HB3 . . 4.070 3.464 2.578 4.143 0.073 4 0 "[ . 1 . 2]" 1
7 1 9 LEU H 1 9 LEU QD . . 4.470 3.485 2.023 4.089 . 0 0 "[ . 1 . 2]" 1
8 1 9 LEU H 1 9 LEU HG . . 5.050 4.038 2.579 4.834 . 0 0 "[ . 1 . 2]" 1
9 1 9 LEU HA 1 9 LEU MD1 . . 4.180 3.038 2.101 4.083 . 0 0 "[ . 1 . 2]" 1
10 1 9 LEU HA 1 9 LEU QD . . 3.260 2.338 2.091 3.432 0.172 16 0 "[ . 1 . 2]" 1
11 1 9 LEU HA 1 9 LEU MD2 . . 4.180 3.177 2.116 3.949 . 0 0 "[ . 1 . 2]" 1
12 1 9 LEU HA 1 9 LEU HG . . 3.820 2.856 2.367 3.655 . 0 0 "[ . 1 . 2]" 1
13 1 9 LEU HA 1 10 PRO HD2 . . 3.560 2.310 2.079 2.665 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU HA 1 10 PRO QD . . 2.940 2.161 2.045 2.370 . 0 0 "[ . 1 . 2]" 1
15 1 9 LEU HA 1 10 PRO HD3 . . 3.560 2.854 2.250 3.362 . 0 0 "[ . 1 . 2]" 1
16 1 9 LEU HA 1 10 PRO QG . . 4.170 4.050 3.882 4.183 0.013 6 0 "[ . 1 . 2]" 1
17 1 9 LEU QB 1 9 LEU QD . . 2.780 1.953 1.926 1.985 . 0 0 "[ . 1 . 2]" 1
18 1 9 LEU QB 1 9 LEU HG . . 2.420 2.404 2.321 2.491 0.071 19 0 "[ . 1 . 2]" 1
19 1 9 LEU QB 1 10 PRO QD . . 4.370 3.396 2.185 3.963 . 0 0 "[ . 1 . 2]" 1
20 1 9 LEU QD 1 10 PRO QD . . 4.180 3.189 2.088 3.768 . 0 0 "[ . 1 . 2]" 1
21 1 10 PRO QB 1 11 THR MG . . 4.640 4.177 2.992 4.710 0.070 3 0 "[ . 1 . 2]" 1
22 1 10 PRO QG 1 11 THR MG . . 5.500 4.474 2.329 5.584 0.084 11 0 "[ . 1 . 2]" 1
23 1 12 SER HA 1 13 PHE H . . 3.490 2.504 2.089 2.898 . 0 0 "[ . 1 . 2]" 1
24 1 12 SER QB 1 13 PHE H . . 4.530 3.130 1.944 4.063 . 0 0 "[ . 1 . 2]" 1
25 1 13 PHE H 1 13 PHE QD . . 4.900 3.359 1.905 4.490 . 0 0 "[ . 1 . 2]" 1
26 1 13 PHE HA 1 13 PHE QD . . 4.110 3.137 2.315 3.798 . 0 0 "[ . 1 . 2]" 1
27 1 13 PHE HA 1 46 ALA MB . . 4.440 4.307 3.430 4.557 0.117 19 0 "[ . 1 . 2]" 1
28 1 14 ARG HA 1 14 ARG QD . . 4.120 3.583 2.008 4.289 0.169 3 0 "[ . 1 . 2]" 1
29 1 14 ARG HA 1 14 ARG QG . . 3.510 2.606 2.145 3.543 0.033 8 0 "[ . 1 . 2]" 1
30 1 14 ARG QB 1 14 ARG QD . . 3.350 2.327 2.061 2.964 . 0 0 "[ . 1 . 2]" 1
31 1 16 THR HA 1 16 THR MG . . 3.360 2.797 2.082 3.271 . 0 0 "[ . 1 . 2]" 1
32 1 17 SER QB 1 18 VAL H . . 4.450 3.294 1.992 4.087 . 0 0 "[ . 1 . 2]" 1
33 1 18 VAL HA 1 18 VAL QG . . 2.660 2.297 2.208 2.400 . 0 0 "[ . 1 . 2]" 1
34 1 18 VAL HB 1 19 ASP H . . 4.440 2.955 2.168 4.177 . 0 0 "[ . 1 . 2]" 1
35 1 18 VAL HB 1 20 GLY H . . 5.500 4.208 2.581 5.594 0.094 5 0 "[ . 1 . 2]" 1
36 1 18 VAL QG 1 19 ASP H . . 3.040 3.104 2.006 3.541 0.501 2 1 "[ + . 1 . 2]" 1
37 1 19 ASP H 1 19 ASP HB2 . . 3.980 2.967 2.458 3.737 . 0 0 "[ . 1 . 2]" 1
38 1 19 ASP H 1 19 ASP HB3 . . 3.980 3.246 2.604 3.817 . 0 0 "[ . 1 . 2]" 1
39 1 19 ASP H 1 20 GLY H . . 3.630 3.208 2.015 4.114 0.484 19 0 "[ . 1 . 2]" 1
40 1 20 GLY H 1 39 LEU HG . . 5.010 4.570 3.430 5.292 0.282 3 0 "[ . 1 . 2]" 1
41 1 20 GLY QA 1 21 SER H . . 3.270 2.443 2.050 2.980 . 0 0 "[ . 1 . 2]" 1
42 1 21 SER H 1 21 SER HB2 . . 3.800 2.886 2.378 3.426 . 0 0 "[ . 1 . 2]" 1
43 1 21 SER H 1 21 SER QB . . 3.320 2.442 2.198 2.763 . 0 0 "[ . 1 . 2]" 1
44 1 21 SER H 1 21 SER HB3 . . 3.800 2.678 2.431 3.090 . 0 0 "[ . 1 . 2]" 1
45 1 22 PHE HA 1 22 PHE QD . . 3.730 3.754 3.737 3.766 0.036 7 0 "[ . 1 . 2]" 1
46 1 22 PHE QB 1 67 LEU QD . . 4.000 3.151 2.377 3.649 . 0 0 "[ . 1 . 2]" 1
47 1 22 PHE QE 1 63 ILE HA . . 4.900 4.821 4.188 4.991 0.091 7 0 "[ . 1 . 2]" 1
48 1 22 PHE QE 1 63 ILE HG13 . . 5.500 5.560 5.430 5.808 0.308 19 0 "[ . 1 . 2]" 1
49 1 22 PHE QE 1 66 GLU QB . . 5.340 2.649 2.198 3.920 . 0 0 "[ . 1 . 2]" 1
50 1 22 PHE QE 1 67 LEU QD . . 5.370 2.541 2.134 3.179 . 0 0 "[ . 1 . 2]" 1
51 1 23 SER HA 1 31 LEU QD . . 4.780 4.444 4.194 4.788 0.008 2 0 "[ . 1 . 2]" 1
52 1 23 SER QB 1 24 VAL H . . 3.350 2.416 2.275 2.674 . 0 0 "[ . 1 . 2]" 1
53 1 23 SER QB 1 31 LEU HB2 . . 3.920 3.117 2.698 3.546 . 0 0 "[ . 1 . 2]" 1
54 1 23 SER QB 1 31 LEU HB3 . . 4.730 3.450 2.204 3.951 . 0 0 "[ . 1 . 2]" 1
55 1 23 SER QB 1 31 LEU QD . . 3.480 2.730 2.155 3.270 . 0 0 "[ . 1 . 2]" 1
56 1 23 SER QB 1 33 THR MG . . 3.650 2.783 2.229 3.614 . 0 0 "[ . 1 . 2]" 1
57 1 23 SER HB2 1 24 VAL H . . 3.880 2.450 2.298 2.736 . 0 0 "[ . 1 . 2]" 1
58 1 23 SER HB2 1 31 LEU H . . 5.500 4.878 4.285 5.236 . 0 0 "[ . 1 . 2]" 1
59 1 23 SER HB2 1 31 LEU HB2 . . 4.550 3.205 2.738 3.721 . 0 0 "[ . 1 . 2]" 1
60 1 23 SER HB2 1 33 THR MG . . 4.190 3.831 3.245 4.215 0.025 14 0 "[ . 1 . 2]" 1
61 1 23 SER HB3 1 24 VAL H . . 3.880 3.695 3.429 3.805 . 0 0 "[ . 1 . 2]" 1
62 1 23 SER HB3 1 31 LEU H . . 5.500 5.617 5.523 5.796 0.296 19 0 "[ . 1 . 2]" 1
63 1 23 SER HB3 1 31 LEU HB2 . . 4.550 4.311 4.084 4.670 0.120 14 0 "[ . 1 . 2]" 1
64 1 23 SER HB3 1 33 THR MG . . 4.190 2.871 2.270 3.933 . 0 0 "[ . 1 . 2]" 1
65 1 24 VAL H 1 24 VAL HB . . 3.970 3.067 2.679 3.913 . 0 0 "[ . 1 . 2]" 1
66 1 24 VAL H 1 24 VAL QG . . 3.420 2.505 2.143 2.763 . 0 0 "[ . 1 . 2]" 1
67 1 24 VAL H 1 31 LEU HB2 . . 4.320 3.800 3.423 4.127 . 0 0 "[ . 1 . 2]" 1
68 1 24 VAL H 1 31 LEU QD . . 3.480 3.191 2.787 3.641 0.161 2 0 "[ . 1 . 2]" 1
69 1 24 VAL HA 1 25 ASP H . . 3.280 2.180 2.084 2.398 . 0 0 "[ . 1 . 2]" 1
70 1 24 VAL HA 1 30 LEU HA . . 4.390 3.783 3.014 4.226 . 0 0 "[ . 1 . 2]" 1
71 1 24 VAL HA 1 31 LEU H . . 4.220 3.420 2.656 3.842 . 0 0 "[ . 1 . 2]" 1
72 1 24 VAL HA 1 31 LEU HG . . 5.360 4.293 3.399 5.380 0.020 14 0 "[ . 1 . 2]" 1
73 1 24 VAL HB 1 25 ASP H . . 4.270 3.900 2.383 4.123 . 0 0 "[ . 1 . 2]" 1
74 1 24 VAL HB 1 28 GLY H . . 5.180 5.076 3.490 5.372 0.192 17 0 "[ . 1 . 2]" 1
75 1 24 VAL QG 1 25 ASP H . . 3.390 2.616 2.357 3.314 . 0 0 "[ . 1 . 2]" 1
76 1 24 VAL QG 1 25 ASP QB . . 4.550 3.879 3.538 4.452 . 0 0 "[ . 1 . 2]" 1
77 1 24 VAL QG 1 27 SER H . . 4.560 4.168 3.771 4.668 0.108 14 0 "[ . 1 . 2]" 1
78 1 24 VAL QG 1 28 GLY H . . 3.630 2.697 2.365 3.791 0.161 14 0 "[ . 1 . 2]" 1
79 1 24 VAL QG 1 28 GLY QA . . 4.460 2.127 2.002 2.969 . 0 0 "[ . 1 . 2]" 1
80 1 24 VAL QG 1 29 ASN H . . 4.640 4.317 4.034 4.717 0.077 14 0 "[ . 1 . 2]" 1
81 1 24 VAL QG 1 31 LEU H . . 4.720 4.464 3.578 5.054 0.334 8 0 "[ . 1 . 2]" 1
82 1 25 ASP H 1 25 ASP QB . . 3.580 2.235 2.153 2.376 . 0 0 "[ . 1 . 2]" 1
83 1 25 ASP H 1 27 SER H . . 5.320 4.351 4.021 4.752 . 0 0 "[ . 1 . 2]" 1
84 1 25 ASP H 1 28 GLY H . . 4.880 4.029 3.762 4.675 . 0 0 "[ . 1 . 2]" 1
85 1 25 ASP H 1 29 ASN H . . 5.120 5.047 4.877 5.147 0.027 15 0 "[ . 1 . 2]" 1
86 1 25 ASP H 1 29 ASN QB . . 5.340 3.340 3.104 3.524 . 0 0 "[ . 1 . 2]" 1
87 1 25 ASP H 1 30 LEU HA . . 4.690 4.595 4.334 4.855 0.165 19 0 "[ . 1 . 2]" 1
88 1 25 ASP H 1 31 LEU H . . 5.080 4.354 4.157 4.670 . 0 0 "[ . 1 . 2]" 1
89 1 25 ASP H 1 31 LEU HB2 . . 4.130 4.183 3.641 4.402 0.272 19 0 "[ . 1 . 2]" 1
90 1 25 ASP QB 1 29 ASN H . . 5.340 4.781 4.202 5.309 . 0 0 "[ . 1 . 2]" 1
91 1 25 ASP QB 1 29 ASN HD21 . . 3.620 2.123 1.694 2.783 . 0 0 "[ . 1 . 2]" 1
92 1 25 ASP QB 1 29 ASN HD22 . . 4.300 3.663 3.228 4.334 0.034 20 0 "[ . 1 . 2]" 1
93 1 25 ASP QB 1 31 LEU HA . . 4.730 4.308 3.744 4.592 . 0 0 "[ . 1 . 2]" 1
94 1 25 ASP QB 1 31 LEU QD . . 3.680 2.848 2.607 3.141 . 0 0 "[ . 1 . 2]" 1
95 1 25 ASP HB2 1 27 SER H . . 4.830 4.627 4.404 4.837 0.007 8 0 "[ . 1 . 2]" 1
96 1 25 ASP HB3 1 27 SER H . . 4.830 3.023 2.731 3.309 . 0 0 "[ . 1 . 2]" 1
97 1 26 ALA MB 1 27 SER H . . 3.710 3.216 2.853 3.569 . 0 0 "[ . 1 . 2]" 1
98 1 26 ALA MB 1 28 GLY H . . 5.500 5.034 4.745 5.389 . 0 0 "[ . 1 . 2]" 1
99 1 27 SER H 1 27 SER HB2 . . 4.080 3.127 2.836 3.510 . 0 0 "[ . 1 . 2]" 1
100 1 27 SER H 1 27 SER QB . . 3.390 2.985 2.773 3.268 . 0 0 "[ . 1 . 2]" 1
101 1 27 SER H 1 27 SER HB3 . . 4.080 3.916 3.129 4.093 0.013 14 0 "[ . 1 . 2]" 1
102 1 27 SER H 1 28 GLY H . . 5.500 2.498 1.940 3.365 . 0 0 "[ . 1 . 2]" 1
103 1 27 SER H 1 28 GLY QA . . 4.920 4.101 3.816 4.433 . 0 0 "[ . 1 . 2]" 1
104 1 27 SER H 1 29 ASN H . . 5.500 5.301 4.901 5.504 0.004 20 0 "[ . 1 . 2]" 1
105 1 27 SER H 1 29 ASN HD21 . . 4.910 3.298 2.592 4.222 . 0 0 "[ . 1 . 2]" 1
106 1 27 SER QB 1 29 ASN H . . 5.180 5.015 4.551 5.190 0.010 6 0 "[ . 1 . 2]" 1
107 1 27 SER QB 1 29 ASN HD21 . . 4.290 3.913 3.036 4.368 0.078 15 0 "[ . 1 . 2]" 1
108 1 27 SER QB 1 29 ASN HD22 . . 3.740 3.152 2.676 3.786 0.046 13 0 "[ . 1 . 2]" 1
109 1 27 SER HB2 1 29 ASN HD22 . . 4.570 3.394 2.714 4.639 0.069 18 0 "[ . 1 . 2]" 1
110 1 27 SER HB3 1 29 ASN HD22 . . 4.570 4.319 2.996 4.637 0.067 11 0 "[ . 1 . 2]" 1
111 1 28 GLY H 1 29 ASN H . . 4.530 4.418 4.173 4.518 . 0 0 "[ . 1 . 2]" 1
112 1 29 ASN H 1 29 ASN HA . . 2.920 2.290 2.269 2.325 . 0 0 "[ . 1 . 2]" 1
113 1 29 ASN H 1 29 ASN HB2 . . 4.070 3.674 3.493 3.835 . 0 0 "[ . 1 . 2]" 1
114 1 29 ASN H 1 29 ASN QB . . 3.530 3.391 3.262 3.502 . 0 0 "[ . 1 . 2]" 1
115 1 29 ASN H 1 29 ASN HB3 . . 4.070 3.986 3.875 4.056 . 0 0 "[ . 1 . 2]" 1
116 1 29 ASN H 1 29 ASN HD21 . . 4.200 3.987 3.543 4.281 0.081 17 0 "[ . 1 . 2]" 1
117 1 29 ASN H 1 29 ASN HD22 . . 4.230 4.131 3.967 4.243 0.013 5 0 "[ . 1 . 2]" 1
118 1 29 ASN H 1 30 LEU H . . 4.710 4.670 4.599 4.723 0.013 10 0 "[ . 1 . 2]" 1
119 1 29 ASN HA 1 29 ASN HD21 . . 4.290 4.293 4.069 4.459 0.169 17 0 "[ . 1 . 2]" 1
120 1 29 ASN HA 1 30 LEU H . . 3.200 2.661 2.553 2.803 . 0 0 "[ . 1 . 2]" 1
121 1 29 ASN HA 1 71 ALA MB . . 4.020 3.321 2.675 3.814 . 0 0 "[ . 1 . 2]" 1
122 1 29 ASN QB 1 29 ASN HD22 . . 3.370 3.296 3.247 3.345 . 0 0 "[ . 1 . 2]" 1
123 1 29 ASN QB 1 30 LEU H . . 3.740 2.183 2.034 2.338 . 0 0 "[ . 1 . 2]" 1
124 1 29 ASN QB 1 74 GLN HE22 . . 5.340 4.847 4.177 5.081 . 0 0 "[ . 1 . 2]" 1
125 1 29 ASN HB2 1 30 LEU H . . 4.490 3.105 2.936 3.325 . 0 0 "[ . 1 . 2]" 1
126 1 29 ASN HB3 1 30 LEU H . . 4.490 2.233 2.064 2.412 . 0 0 "[ . 1 . 2]" 1
127 1 30 LEU H 1 30 LEU HB2 . . 4.100 2.600 2.454 2.717 . 0 0 "[ . 1 . 2]" 1
128 1 30 LEU H 1 30 LEU HB3 . . 3.700 3.274 3.152 3.430 . 0 0 "[ . 1 . 2]" 1
129 1 30 LEU H 1 30 LEU MD1 . . 5.190 4.558 4.439 4.647 . 0 0 "[ . 1 . 2]" 1
130 1 30 LEU H 1 30 LEU MD2 . . 4.490 4.391 4.342 4.431 . 0 0 "[ . 1 . 2]" 1
131 1 30 LEU H 1 30 LEU HG . . 4.800 4.343 4.036 4.528 . 0 0 "[ . 1 . 2]" 1
132 1 30 LEU H 1 31 LEU H . . 4.520 4.346 4.161 4.488 . 0 0 "[ . 1 . 2]" 1
133 1 30 LEU H 1 71 ALA H . . 5.210 5.189 4.912 5.263 0.053 13 0 "[ . 1 . 2]" 1
134 1 30 LEU H 1 71 ALA HA . . 3.770 3.471 3.227 3.700 . 0 0 "[ . 1 . 2]" 1
135 1 30 LEU H 1 71 ALA MB . . 4.530 3.958 3.551 4.486 . 0 0 "[ . 1 . 2]" 1
136 1 30 LEU H 1 74 GLN HE22 . . 4.800 4.814 4.664 4.920 0.120 4 0 "[ . 1 . 2]" 1
137 1 30 LEU H 1 74 GLN QG . . 4.420 3.766 3.471 4.188 . 0 0 "[ . 1 . 2]" 1
138 1 30 LEU HA 1 30 LEU MD2 . . 3.360 2.072 2.040 2.135 . 0 0 "[ . 1 . 2]" 1
139 1 30 LEU HA 1 30 LEU HG . . 3.920 2.772 2.686 2.849 . 0 0 "[ . 1 . 2]" 1
140 1 30 LEU HA 1 31 LEU H . . 3.370 2.228 2.131 2.308 . 0 0 "[ . 1 . 2]" 1
141 1 30 LEU HA 1 71 ALA MB . . 3.500 3.068 2.748 3.508 0.008 10 0 "[ . 1 . 2]" 1
142 1 30 LEU HB2 1 31 LEU H . . 5.230 4.643 4.518 4.741 . 0 0 "[ . 1 . 2]" 1
143 1 30 LEU HB2 1 71 ALA HA . . 3.050 2.487 2.209 2.793 . 0 0 "[ . 1 . 2]" 1
144 1 30 LEU HB2 1 74 GLN H . . 4.200 4.281 4.015 4.365 0.165 14 0 "[ . 1 . 2]" 1
145 1 30 LEU HB2 1 74 GLN HB2 . . 5.010 2.426 2.226 2.533 . 0 0 "[ . 1 . 2]" 1
146 1 30 LEU HB2 1 74 GLN HB3 . . 4.900 2.821 2.503 3.230 . 0 0 "[ . 1 . 2]" 1
147 1 30 LEU HB2 1 74 GLN HE21 . . 5.500 3.404 3.145 3.909 . 0 0 "[ . 1 . 2]" 1
148 1 30 LEU HB2 1 74 GLN HE22 . . 5.500 5.069 4.723 5.286 . 0 0 "[ . 1 . 2]" 1
149 1 30 LEU HB2 1 75 ALA H . . 4.910 4.651 4.073 4.818 . 0 0 "[ . 1 . 2]" 1
150 1 30 LEU HB3 1 31 LEU H . . 5.090 3.827 3.472 4.080 . 0 0 "[ . 1 . 2]" 1
151 1 30 LEU HB3 1 36 ILE MD . . 4.920 4.329 3.597 4.911 . 0 0 "[ . 1 . 2]" 1
152 1 30 LEU MD1 1 36 ILE MD . . 3.310 2.661 2.281 3.343 0.033 18 0 "[ . 1 . 2]" 1
153 1 30 LEU MD1 1 72 ARG HA . . 4.980 4.508 4.185 4.652 . 0 0 "[ . 1 . 2]" 1
154 1 30 LEU MD1 1 74 GLN H . . 3.920 3.816 3.723 3.901 . 0 0 "[ . 1 . 2]" 1
155 1 30 LEU MD1 1 74 GLN HB2 . . 4.550 2.738 2.448 2.918 . 0 0 "[ . 1 . 2]" 1
156 1 30 LEU MD1 1 74 GLN HB3 . . 3.700 2.380 2.197 2.605 . 0 0 "[ . 1 . 2]" 1
157 1 30 LEU MD1 1 74 GLN HE21 . . 4.580 4.586 4.486 4.641 0.061 18 0 "[ . 1 . 2]" 1
158 1 30 LEU MD1 1 75 ALA H . . 3.010 2.845 2.390 2.949 . 0 0 "[ . 1 . 2]" 1
159 1 30 LEU MD1 1 75 ALA HA . . 3.710 2.740 2.606 2.888 . 0 0 "[ . 1 . 2]" 1
160 1 30 LEU MD1 1 75 ALA MB . . 3.030 2.163 2.036 2.287 . 0 0 "[ . 1 . 2]" 1
161 1 30 LEU MD2 1 31 LEU H . . 4.030 2.615 2.469 2.753 . 0 0 "[ . 1 . 2]" 1
162 1 30 LEU MD2 1 67 LEU QD . . 4.340 2.361 2.117 2.784 . 0 0 "[ . 1 . 2]" 1
163 1 30 LEU MD2 1 71 ALA MB . . 3.050 3.130 3.092 3.390 0.340 3 0 "[ . 1 . 2]" 1
164 1 30 LEU HG 1 31 LEU H . . 4.760 4.609 4.415 4.716 . 0 0 "[ . 1 . 2]" 1
165 1 30 LEU HG 1 68 GLN H . . 5.500 5.554 5.352 5.963 0.463 19 0 "[ . 1 . 2]" 1
166 1 30 LEU HG 1 71 ALA H . . 5.150 5.137 4.827 5.450 0.300 3 0 "[ . 1 . 2]" 1
167 1 30 LEU HG 1 71 ALA HA . . 4.330 2.792 2.328 3.243 . 0 0 "[ . 1 . 2]" 1
168 1 30 LEU HG 1 71 ALA MB . . 3.190 2.212 2.127 2.296 . 0 0 "[ . 1 . 2]" 1
169 1 30 LEU HG 1 74 GLN HE21 . . 5.500 5.184 4.894 5.411 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU H 1 31 LEU HB2 . . 3.590 2.233 2.103 2.571 . 0 0 "[ . 1 . 2]" 1
171 1 31 LEU H 1 31 LEU HB3 . . 4.160 3.393 2.661 3.513 . 0 0 "[ . 1 . 2]" 1
172 1 31 LEU H 1 31 LEU MD1 . . 4.650 4.014 3.820 4.301 . 0 0 "[ . 1 . 2]" 1
173 1 31 LEU H 1 31 LEU QD . . 4.030 3.682 3.558 3.865 . 0 0 "[ . 1 . 2]" 1
174 1 31 LEU H 1 31 LEU MD2 . . 4.650 4.288 4.161 4.387 . 0 0 "[ . 1 . 2]" 1
175 1 31 LEU H 1 31 LEU HG . . 4.800 3.592 3.345 4.510 . 0 0 "[ . 1 . 2]" 1
176 1 31 LEU HA 1 31 LEU MD1 . . 4.000 3.777 3.250 3.832 . 0 0 "[ . 1 . 2]" 1
177 1 31 LEU HA 1 31 LEU MD2 . . 4.000 2.212 2.075 3.536 . 0 0 "[ . 1 . 2]" 1
178 1 31 LEU HA 1 31 LEU HG . . 3.790 2.647 2.273 2.854 . 0 0 "[ . 1 . 2]" 1
179 1 31 LEU HA 1 32 ILE H . . 3.440 2.269 2.152 2.418 . 0 0 "[ . 1 . 2]" 1
180 1 31 LEU HB3 1 31 LEU QD . . 3.130 2.121 2.093 2.171 . 0 0 "[ . 1 . 2]" 1
181 1 31 LEU QD 1 32 ILE H . . 4.570 2.519 2.113 2.891 . 0 0 "[ . 1 . 2]" 1
182 1 32 ILE H 1 32 ILE HB . . 3.790 2.462 2.366 2.575 . 0 0 "[ . 1 . 2]" 1
183 1 32 ILE H 1 32 ILE MD . . 3.050 3.093 3.058 3.466 0.416 3 0 "[ . 1 . 2]" 1
184 1 32 ILE H 1 32 ILE HG12 . . 4.210 3.059 2.090 3.923 . 0 0 "[ . 1 . 2]" 1
185 1 32 ILE H 1 32 ILE QG . . 3.660 2.259 2.077 2.512 . 0 0 "[ . 1 . 2]" 1
186 1 32 ILE H 1 32 ILE HG13 . . 4.210 2.943 2.247 3.764 . 0 0 "[ . 1 . 2]" 1
187 1 32 ILE H 1 32 ILE MG . . 3.940 3.785 3.758 3.812 . 0 0 "[ . 1 . 2]" 1
188 1 32 ILE HA 1 32 ILE MD . . 3.910 3.141 2.175 3.939 0.029 19 0 "[ . 1 . 2]" 1
189 1 32 ILE HA 1 32 ILE QG . . 3.490 2.751 2.421 3.150 . 0 0 "[ . 1 . 2]" 1
190 1 32 ILE HA 1 32 ILE MG . . 3.370 2.448 2.362 2.517 . 0 0 "[ . 1 . 2]" 1
191 1 32 ILE HA 1 36 ILE MD . . 4.910 4.191 2.593 4.962 0.052 10 0 "[ . 1 . 2]" 1
192 1 32 ILE HB 1 32 ILE MD . . 3.460 2.725 2.245 3.299 . 0 0 "[ . 1 . 2]" 1
193 1 32 ILE MD 1 32 ILE MG . . 2.400 2.216 2.161 2.276 . 0 0 "[ . 1 . 2]" 1
194 1 32 ILE HG12 1 32 ILE MG . . 3.360 2.697 2.242 3.238 . 0 0 "[ . 1 . 2]" 1
195 1 32 ILE HG13 1 32 ILE MG . . 3.360 2.787 2.281 3.203 . 0 0 "[ . 1 . 2]" 1
196 1 33 THR H 1 36 ILE MD . . 5.120 3.809 2.061 5.146 0.026 2 0 "[ . 1 . 2]" 1
197 1 33 THR H 1 36 ILE QG . . 5.340 4.021 2.946 5.253 . 0 0 "[ . 1 . 2]" 1
198 1 33 THR HA 1 33 THR MG . . 2.750 2.435 2.117 3.126 0.376 14 0 "[ . 1 . 2]" 1
199 1 34 ARG HA 1 34 ARG QB . . 2.770 2.375 2.116 2.519 . 0 0 "[ . 1 . 2]" 1
200 1 34 ARG HA 1 34 ARG QD . . 4.450 3.851 2.180 4.472 0.022 14 0 "[ . 1 . 2]" 1
201 1 34 ARG HA 1 34 ARG QG . . 3.550 2.509 2.276 3.515 . 0 0 "[ . 1 . 2]" 1
202 1 34 ARG HA 1 37 ARG QB . . 4.440 4.028 3.267 4.685 0.245 8 0 "[ . 1 . 2]" 1
203 1 34 ARG QB 1 34 ARG QD . . 3.450 2.328 2.054 2.986 . 0 0 "[ . 1 . 2]" 1
204 1 34 ARG QB 1 38 ASN QD . . 4.930 3.987 3.393 4.935 0.005 2 0 "[ . 1 . 2]" 1
205 1 34 ARG QD 1 38 ASN QD . . 4.790 4.163 3.040 4.844 0.054 16 0 "[ . 1 . 2]" 1
206 1 34 ARG QG 1 37 ARG QB . . 3.880 3.484 2.651 4.509 0.629 3 1 "[ + . 1 . 2]" 1
207 1 34 ARG QG 1 37 ARG QD . . 3.440 2.881 1.775 3.656 0.216 10 0 "[ . 1 . 2]" 1
208 1 34 ARG QG 1 38 ASN H . . 4.930 4.542 3.969 4.969 0.039 19 0 "[ . 1 . 2]" 1
209 1 34 ARG QG 1 38 ASN QB . . 5.340 5.129 4.084 5.574 0.234 19 0 "[ . 1 . 2]" 1
210 1 34 ARG QG 1 38 ASN HD21 . . 4.900 3.492 2.772 4.376 . 0 0 "[ . 1 . 2]" 1
211 1 34 ARG QG 1 38 ASN QD . . 4.210 2.843 2.299 3.644 . 0 0 "[ . 1 . 2]" 1
212 1 34 ARG QG 1 38 ASN HD22 . . 4.900 3.083 2.422 4.477 . 0 0 "[ . 1 . 2]" 1
213 1 35 ASP HA 1 38 ASN QD . . 4.680 2.572 1.664 4.470 . 0 0 "[ . 1 . 2]" 1
214 1 36 ILE HA 1 36 ILE MD . . 4.560 3.935 2.303 4.249 . 0 0 "[ . 1 . 2]" 1
215 1 36 ILE HA 1 39 LEU H . . 4.120 3.389 3.104 3.884 . 0 0 "[ . 1 . 2]" 1
216 1 36 ILE HA 1 39 LEU HB2 . . 4.890 2.565 2.192 3.143 . 0 0 "[ . 1 . 2]" 1
217 1 36 ILE HA 1 39 LEU QB . . 4.230 2.458 2.172 3.102 . 0 0 "[ . 1 . 2]" 1
218 1 36 ILE HA 1 39 LEU HB3 . . 4.890 3.428 2.389 4.763 . 0 0 "[ . 1 . 2]" 1
219 1 36 ILE HA 1 39 LEU MD1 . . 4.660 3.049 2.554 3.459 . 0 0 "[ . 1 . 2]" 1
220 1 36 ILE HA 1 39 LEU QD . . 4.060 2.950 2.501 3.328 . 0 0 "[ . 1 . 2]" 1
221 1 36 ILE HA 1 39 LEU MD2 . . 4.660 4.178 2.997 4.712 0.052 1 0 "[ . 1 . 2]" 1
222 1 36 ILE HA 1 40 PHE H . . 5.500 4.183 3.793 4.643 . 0 0 "[ . 1 . 2]" 1
223 1 36 ILE HB 1 37 ARG H . . 4.110 3.408 2.405 4.115 0.005 2 0 "[ . 1 . 2]" 1
224 1 36 ILE HB 1 39 LEU H . . 5.500 5.373 5.047 5.799 0.299 3 0 "[ . 1 . 2]" 1
225 1 36 ILE MD 1 37 ARG H . . 5.500 4.413 4.016 4.859 . 0 0 "[ . 1 . 2]" 1
226 1 36 ILE MD 1 40 PHE HZ . . 4.760 3.998 2.964 5.109 0.349 3 0 "[ . 1 . 2]" 1
227 1 36 ILE QG 1 37 ARG H . . 5.340 3.204 2.304 4.229 . 0 0 "[ . 1 . 2]" 1
228 1 36 ILE QG 1 40 PHE HZ . . 5.340 4.830 3.910 5.399 0.059 10 0 "[ . 1 . 2]" 1
229 1 36 ILE MG 1 40 PHE H . . 5.500 4.857 4.036 5.498 . 0 0 "[ . 1 . 2]" 1
230 1 37 ARG H 1 37 ARG QD . . 5.220 4.134 3.313 4.783 . 0 0 "[ . 1 . 2]" 1
231 1 37 ARG HA 1 37 ARG QD . . 4.740 4.230 3.926 4.558 . 0 0 "[ . 1 . 2]" 1
232 1 37 ARG HA 1 39 LEU H . . 5.270 4.305 3.991 4.647 . 0 0 "[ . 1 . 2]" 1
233 1 37 ARG HA 1 40 PHE H . . 5.500 3.519 3.268 3.844 . 0 0 "[ . 1 . 2]" 1
234 1 37 ARG HA 1 40 PHE QD . . 4.320 2.908 2.432 3.409 . 0 0 "[ . 1 . 2]" 1
235 1 37 ARG HA 1 41 ASP H . . 4.460 4.052 3.784 4.318 . 0 0 "[ . 1 . 2]" 1
236 1 37 ARG QB 1 38 ASN H . . 3.930 2.995 2.335 3.734 . 0 0 "[ . 1 . 2]" 1
237 1 37 ARG QB 1 38 ASN QD . . 5.180 3.756 2.923 4.638 . 0 0 "[ . 1 . 2]" 1
238 1 37 ARG QB 1 39 LEU H . . 5.020 4.876 4.525 5.491 0.471 3 0 "[ . 1 . 2]" 1
239 1 37 ARG QG 1 38 ASN H . . 4.270 3.024 2.015 3.931 . 0 0 "[ . 1 . 2]" 1
240 1 37 ARG QG 1 38 ASN HD21 . . 5.250 3.981 2.153 5.298 0.048 6 0 "[ . 1 . 2]" 1
241 1 37 ARG QG 1 38 ASN QD . . 4.610 3.552 2.109 4.499 . 0 0 "[ . 1 . 2]" 1
242 1 37 ARG QG 1 38 ASN HD22 . . 5.250 4.099 2.726 5.279 0.029 4 0 "[ . 1 . 2]" 1
243 1 38 ASN H 1 38 ASN HB2 . . 4.190 2.428 2.198 2.627 . 0 0 "[ . 1 . 2]" 1
244 1 38 ASN H 1 38 ASN QB . . 3.450 2.390 2.175 2.567 . 0 0 "[ . 1 . 2]" 1
245 1 38 ASN H 1 38 ASN HB3 . . 4.190 3.583 3.471 3.623 . 0 0 "[ . 1 . 2]" 1
246 1 38 ASN H 1 38 ASN HD21 . . 3.900 2.504 2.073 3.358 . 0 0 "[ . 1 . 2]" 1
247 1 38 ASN H 1 38 ASN QD . . 3.400 2.454 2.061 3.154 . 0 0 "[ . 1 . 2]" 1
248 1 38 ASN H 1 38 ASN HD22 . . 3.900 3.694 3.232 3.997 0.097 3 0 "[ . 1 . 2]" 1
249 1 38 ASN H 1 39 LEU H . . 3.670 2.548 2.395 2.677 . 0 0 "[ . 1 . 2]" 1
250 1 38 ASN H 1 39 LEU QB . . 5.230 4.204 4.011 4.438 . 0 0 "[ . 1 . 2]" 1
251 1 38 ASN H 1 39 LEU QD . . 5.200 4.960 4.092 5.473 0.273 20 0 "[ . 1 . 2]" 1
252 1 38 ASN HA 1 38 ASN QB . . 2.520 2.391 2.306 2.510 . 0 0 "[ . 1 . 2]" 1
253 1 38 ASN HA 1 38 ASN HD21 . . 4.520 3.963 2.467 4.376 . 0 0 "[ . 1 . 2]" 1
254 1 38 ASN HA 1 38 ASN QD . . 3.810 3.671 2.430 3.979 0.169 6 0 "[ . 1 . 2]" 1
255 1 38 ASN HA 1 38 ASN HD22 . . 4.520 4.369 3.647 4.655 0.135 11 0 "[ . 1 . 2]" 1
256 1 38 ASN HA 1 40 PHE H . . 5.130 4.747 4.498 4.964 . 0 0 "[ . 1 . 2]" 1
257 1 38 ASN HA 1 41 ASP H . . 3.760 3.373 3.179 3.706 . 0 0 "[ . 1 . 2]" 1
258 1 38 ASN HA 1 41 ASP HB2 . . 3.770 2.656 2.098 3.676 . 0 0 "[ . 1 . 2]" 1
259 1 38 ASN HA 1 41 ASP QB . . 3.230 2.466 2.086 3.038 . 0 0 "[ . 1 . 2]" 1
260 1 38 ASN HA 1 41 ASP HB3 . . 3.770 3.391 2.515 3.874 0.104 15 0 "[ . 1 . 2]" 1
261 1 38 ASN HA 1 42 ALA H . . 4.600 3.840 3.670 4.039 . 0 0 "[ . 1 . 2]" 1
262 1 38 ASN HB2 1 39 LEU H . . 3.810 2.862 2.709 3.050 . 0 0 "[ . 1 . 2]" 1
263 1 38 ASN HB3 1 39 LEU H . . 3.810 3.786 3.342 3.940 0.130 11 0 "[ . 1 . 2]" 1
264 1 38 ASN QD 1 39 LEU H . . 4.440 4.266 3.619 4.528 0.088 18 0 "[ . 1 . 2]" 1
265 1 39 LEU H 1 39 LEU HB2 . . 3.640 2.131 1.973 2.330 . 0 0 "[ . 1 . 2]" 1
266 1 39 LEU H 1 39 LEU QB . . 3.000 2.095 1.951 2.302 . 0 0 "[ . 1 . 2]" 1
267 1 39 LEU H 1 39 LEU HB3 . . 3.640 3.154 2.720 3.588 . 0 0 "[ . 1 . 2]" 1
268 1 39 LEU H 1 39 LEU MD1 . . 4.660 3.465 2.433 4.098 . 0 0 "[ . 1 . 2]" 1
269 1 39 LEU H 1 39 LEU QD . . 3.730 3.284 2.417 3.746 0.016 12 0 "[ . 1 . 2]" 1
270 1 39 LEU H 1 39 LEU MD2 . . 4.660 4.311 4.088 4.492 . 0 0 "[ . 1 . 2]" 1
271 1 39 LEU H 1 39 LEU HG . . 4.110 3.984 3.028 4.203 0.093 19 0 "[ . 1 . 2]" 1
272 1 39 LEU H 1 40 PHE H . . 3.450 2.904 2.765 3.073 . 0 0 "[ . 1 . 2]" 1
273 1 39 LEU H 1 40 PHE QD . . 5.500 5.229 4.960 5.400 . 0 0 "[ . 1 . 2]" 1
274 1 39 LEU H 1 41 ASP H . . 4.300 4.191 4.059 4.392 0.092 3 0 "[ . 1 . 2]" 1
275 1 39 LEU HA 1 39 LEU MD1 . . 4.220 3.382 2.624 3.852 . 0 0 "[ . 1 . 2]" 1
276 1 39 LEU HA 1 39 LEU QD . . 3.590 2.659 2.162 2.940 . 0 0 "[ . 1 . 2]" 1
277 1 39 LEU HA 1 39 LEU MD2 . . 4.220 3.080 2.174 3.774 . 0 0 "[ . 1 . 2]" 1
278 1 39 LEU HA 1 39 LEU HG . . 2.950 2.364 2.141 2.641 . 0 0 "[ . 1 . 2]" 1
279 1 39 LEU HA 1 41 ASP H . . 4.570 4.623 4.567 4.714 0.144 19 0 "[ . 1 . 2]" 1
280 1 39 LEU HA 1 42 ALA H . . 3.560 3.664 3.575 3.878 0.318 19 0 "[ . 1 . 2]" 1
281 1 39 LEU HA 1 42 ALA MB . . 3.110 2.887 2.714 3.087 . 0 0 "[ . 1 . 2]" 1
282 1 39 LEU HA 1 43 PHE H . . 4.920 4.581 4.152 4.981 0.061 9 0 "[ . 1 . 2]" 1
283 1 39 LEU HB2 1 40 PHE H . . 4.290 3.185 2.667 3.679 . 0 0 "[ . 1 . 2]" 1
284 1 39 LEU HB3 1 40 PHE H . . 4.290 2.664 2.357 2.995 . 0 0 "[ . 1 . 2]" 1
285 1 39 LEU QD 1 40 PHE H . . 4.450 3.821 3.363 4.063 . 0 0 "[ . 1 . 2]" 1
286 1 39 LEU QD 1 40 PHE QE . . 4.860 3.768 3.085 4.259 . 0 0 "[ . 1 . 2]" 1
287 1 39 LEU MD1 1 40 PHE H . . 5.500 4.572 4.397 4.864 . 0 0 "[ . 1 . 2]" 1
288 1 39 LEU MD2 1 40 PHE H . . 5.500 4.136 3.480 4.581 . 0 0 "[ . 1 . 2]" 1
289 1 40 PHE H 1 40 PHE QB . . 3.690 2.581 2.522 2.646 . 0 0 "[ . 1 . 2]" 1
290 1 40 PHE H 1 40 PHE QD . . 4.560 2.998 2.632 3.141 . 0 0 "[ . 1 . 2]" 1
291 1 40 PHE H 1 40 PHE QE . . 5.150 4.302 4.113 4.477 . 0 0 "[ . 1 . 2]" 1
292 1 40 PHE H 1 40 PHE HZ . . 5.320 5.425 5.360 5.635 0.315 19 0 "[ . 1 . 2]" 1
293 1 40 PHE H 1 41 ASP H . . 3.210 2.925 2.756 3.117 . 0 0 "[ . 1 . 2]" 1
294 1 40 PHE H 1 59 LEU QD . . 5.440 4.842 4.268 5.244 . 0 0 "[ . 1 . 2]" 1
295 1 40 PHE HA 1 40 PHE QD . . 3.850 2.216 2.127 2.285 . 0 0 "[ . 1 . 2]" 1
296 1 40 PHE HA 1 40 PHE QE . . 4.720 4.552 4.472 4.626 . 0 0 "[ . 1 . 2]" 1
297 1 40 PHE HA 1 43 PHE H . . 4.320 3.624 3.475 3.726 . 0 0 "[ . 1 . 2]" 1
298 1 40 PHE HA 1 59 LEU MD1 . . 4.600 3.885 2.996 4.325 . 0 0 "[ . 1 . 2]" 1
299 1 40 PHE HA 1 59 LEU MD2 . . 4.600 3.861 3.291 4.482 . 0 0 "[ . 1 . 2]" 1
300 1 40 PHE HB2 1 41 ASP H . . 5.340 2.690 2.530 2.906 . 0 0 "[ . 1 . 2]" 1
301 1 40 PHE HB2 1 82 TYR QD . . 5.500 4.790 3.795 5.523 0.023 13 0 "[ . 1 . 2]" 1
302 1 40 PHE HB3 1 41 ASP H . . 5.340 3.802 3.690 3.988 . 0 0 "[ . 1 . 2]" 1
303 1 40 PHE HB3 1 82 TYR QD . . 5.500 4.180 3.399 4.843 . 0 0 "[ . 1 . 2]" 1
304 1 40 PHE QD 1 41 ASP H . . 4.630 4.479 4.376 4.599 . 0 0 "[ . 1 . 2]" 1
305 1 40 PHE QD 1 82 TYR QB . . 4.440 3.858 3.264 4.370 . 0 0 "[ . 1 . 2]" 1
306 1 40 PHE QE 1 59 LEU QD . . 4.600 3.736 3.137 4.247 . 0 0 "[ . 1 . 2]" 1
307 1 40 PHE HZ 1 75 ALA HA . . 3.990 3.432 2.954 3.780 . 0 0 "[ . 1 . 2]" 1
308 1 40 PHE HZ 1 75 ALA MB . . 4.160 3.732 2.404 4.203 0.043 10 0 "[ . 1 . 2]" 1
309 1 40 PHE HZ 1 78 LEU H . . 5.470 4.986 4.382 5.479 0.009 2 0 "[ . 1 . 2]" 1
310 1 40 PHE HZ 1 79 MET H . . 4.380 3.571 3.014 4.116 . 0 0 "[ . 1 . 2]" 1
311 1 41 ASP H 1 41 ASP HB2 . . 3.490 2.213 2.045 2.447 . 0 0 "[ . 1 . 2]" 1
312 1 41 ASP H 1 41 ASP QB . . 2.930 2.169 2.020 2.408 . 0 0 "[ . 1 . 2]" 1
313 1 41 ASP H 1 41 ASP HB3 . . 3.490 3.243 2.648 3.587 0.097 10 0 "[ . 1 . 2]" 1
314 1 41 ASP H 1 42 ALA H . . 3.380 2.842 2.634 2.915 . 0 0 "[ . 1 . 2]" 1
315 1 41 ASP HA 1 44 LEU H . . 3.410 3.311 3.009 3.486 0.076 11 0 "[ . 1 . 2]" 1
316 1 41 ASP HA 1 44 LEU QB . . 3.440 2.321 2.148 2.520 . 0 0 "[ . 1 . 2]" 1
317 1 41 ASP HA 1 44 LEU MD1 . . 3.900 2.442 2.203 2.683 . 0 0 "[ . 1 . 2]" 1
318 1 41 ASP HA 1 44 LEU HG . . 3.960 3.898 3.446 4.138 0.178 3 0 "[ . 1 . 2]" 1
319 1 41 ASP HB2 1 42 ALA H . . 3.650 3.257 2.574 3.770 0.120 4 0 "[ . 1 . 2]" 1
320 1 41 ASP HB3 1 42 ALA H . . 3.650 3.060 2.443 3.634 . 0 0 "[ . 1 . 2]" 1
321 1 42 ALA H 1 42 ALA MB . . 2.830 2.189 2.114 2.228 . 0 0 "[ . 1 . 2]" 1
322 1 42 ALA HA 1 45 SER H . . 4.680 4.021 3.542 4.355 . 0 0 "[ . 1 . 2]" 1
323 1 42 ALA MB 1 43 PHE H . . 3.380 2.732 2.549 3.096 . 0 0 "[ . 1 . 2]" 1
324 1 42 ALA MB 1 43 PHE QE . . 4.360 3.430 3.128 3.770 . 0 0 "[ . 1 . 2]" 1
325 1 42 ALA MB 1 44 LEU H . . 4.720 4.548 4.368 4.735 0.015 4 0 "[ . 1 . 2]" 1
326 1 43 PHE H 1 43 PHE QB . . 3.180 2.348 2.254 2.496 . 0 0 "[ . 1 . 2]" 1
327 1 43 PHE H 1 43 PHE QD . . 4.000 2.498 2.306 2.759 . 0 0 "[ . 1 . 2]" 1
328 1 43 PHE H 1 43 PHE QE . . 5.150 4.789 4.605 5.046 . 0 0 "[ . 1 . 2]" 1
329 1 43 PHE H 1 44 LEU H . . 3.200 2.387 2.098 2.586 . 0 0 "[ . 1 . 2]" 1
330 1 43 PHE H 1 44 LEU HG . . 4.640 4.609 4.312 5.064 0.424 3 0 "[ . 1 . 2]" 1
331 1 43 PHE H 1 59 LEU MD1 . . 5.500 4.558 3.976 5.011 . 0 0 "[ . 1 . 2]" 1
332 1 43 PHE H 1 59 LEU QD . . 4.610 4.185 3.892 4.597 . 0 0 "[ . 1 . 2]" 1
333 1 43 PHE H 1 59 LEU MD2 . . 5.500 4.969 4.347 5.533 0.033 18 0 "[ . 1 . 2]" 1
334 1 43 PHE HA 1 43 PHE QD . . 4.230 3.090 3.024 3.191 . 0 0 "[ . 1 . 2]" 1
335 1 43 PHE HA 1 45 SER H . . 4.500 4.242 3.652 4.546 0.046 20 0 "[ . 1 . 2]" 1
336 1 43 PHE QB 1 44 LEU H . . 3.420 3.145 2.819 3.369 . 0 0 "[ . 1 . 2]" 1
337 1 43 PHE QB 1 59 LEU MD1 . . 4.280 2.617 2.087 3.438 . 0 0 "[ . 1 . 2]" 1
338 1 43 PHE QB 1 59 LEU MD2 . . 4.280 2.735 2.165 4.204 . 0 0 "[ . 1 . 2]" 1
339 1 43 PHE QD 1 44 LEU H . . 4.530 4.575 4.491 4.693 0.163 3 0 "[ . 1 . 2]" 1
340 1 44 LEU H 1 44 LEU HB2 . . 3.670 2.296 2.156 2.358 . 0 0 "[ . 1 . 2]" 1
341 1 44 LEU H 1 44 LEU QB . . 3.190 2.270 2.136 2.329 . 0 0 "[ . 1 . 2]" 1
342 1 44 LEU H 1 44 LEU HB3 . . 3.670 3.571 3.457 3.612 . 0 0 "[ . 1 . 2]" 1
343 1 44 LEU H 1 44 LEU MD1 . . 4.350 3.612 3.420 3.807 . 0 0 "[ . 1 . 2]" 1
344 1 44 LEU H 1 44 LEU MD2 . . 4.460 3.933 3.801 4.107 . 0 0 "[ . 1 . 2]" 1
345 1 44 LEU H 1 44 LEU HG . . 3.730 2.801 2.511 3.180 . 0 0 "[ . 1 . 2]" 1
346 1 44 LEU H 1 45 SER H . . 3.520 2.642 2.401 2.808 . 0 0 "[ . 1 . 2]" 1
347 1 44 LEU H 1 45 SER QB . . 4.630 4.587 4.246 4.702 0.072 2 0 "[ . 1 . 2]" 1
348 1 44 LEU H 1 59 LEU QD . . 5.440 4.778 4.340 5.036 . 0 0 "[ . 1 . 2]" 1
349 1 44 LEU HA 1 44 LEU MD1 . . 4.360 3.869 3.805 3.911 . 0 0 "[ . 1 . 2]" 1
350 1 44 LEU HA 1 44 LEU MD2 . . 3.410 2.154 2.100 2.237 . 0 0 "[ . 1 . 2]" 1
351 1 44 LEU HA 1 44 LEU HG . . 3.670 2.825 2.638 2.968 . 0 0 "[ . 1 . 2]" 1
352 1 44 LEU HA 1 47 VAL H . . 4.510 4.015 3.371 4.539 0.029 8 0 "[ . 1 . 2]" 1
353 1 44 LEU HA 1 47 VAL QG . . 3.960 3.235 2.246 3.855 . 0 0 "[ . 1 . 2]" 1
354 1 44 LEU QB 1 44 LEU MD1 . . 3.080 2.099 2.048 2.125 . 0 0 "[ . 1 . 2]" 1
355 1 44 LEU QB 1 45 SER H . . 3.690 2.676 2.332 3.102 . 0 0 "[ . 1 . 2]" 1
356 1 44 LEU HB2 1 45 SER H . . 4.220 2.787 2.398 3.260 . 0 0 "[ . 1 . 2]" 1
357 1 44 LEU HB3 1 45 SER H . . 4.220 3.480 3.186 3.886 . 0 0 "[ . 1 . 2]" 1
358 1 44 LEU MD1 1 45 SER H . . 5.290 4.620 4.249 5.027 . 0 0 "[ . 1 . 2]" 1
359 1 44 LEU MD1 1 86 LYS QD . . 4.020 3.671 2.851 4.042 0.022 4 0 "[ . 1 . 2]" 1
360 1 44 LEU MD1 1 86 LYS QE . . 4.880 4.209 2.817 4.933 0.053 12 0 "[ . 1 . 2]" 1
361 1 44 LEU MD2 1 45 SER H . . 4.870 4.811 4.654 4.905 0.035 8 0 "[ . 1 . 2]" 1
362 1 45 SER H 1 45 SER QB . . 3.320 2.366 2.224 2.613 . 0 0 "[ . 1 . 2]" 1
363 1 45 SER H 1 46 ALA H . . 4.320 2.870 2.466 4.438 0.118 8 0 "[ . 1 . 2]" 1
364 1 45 SER H 1 46 ALA MB . . 4.470 4.337 4.089 4.700 0.230 18 0 "[ . 1 . 2]" 1
365 1 45 SER QB 1 46 ALA H . . 4.870 3.128 2.465 3.606 . 0 0 "[ . 1 . 2]" 1
366 1 46 ALA H 1 47 VAL H . . 3.030 2.757 2.109 3.112 0.082 17 0 "[ . 1 . 2]" 1
367 1 46 ALA MB 1 47 VAL H . . 3.860 3.543 3.199 3.712 . 0 0 "[ . 1 . 2]" 1
368 1 47 VAL H 1 47 VAL HB . . 3.810 2.467 2.217 3.129 . 0 0 "[ . 1 . 2]" 1
369 1 47 VAL H 1 47 VAL MG1 . . 3.990 2.331 2.161 2.556 . 0 0 "[ . 1 . 2]" 1
370 1 47 VAL H 1 47 VAL QG . . 3.490 2.308 2.148 2.513 . 0 0 "[ . 1 . 2]" 1
371 1 47 VAL H 1 47 VAL MG2 . . 3.990 3.782 3.678 4.016 0.026 17 0 "[ . 1 . 2]" 1
372 1 47 VAL H 1 48 GLY H . . 4.650 2.778 1.988 3.150 . 0 0 "[ . 1 . 2]" 1
373 1 47 VAL HA 1 47 VAL MG1 . . 3.480 3.262 3.235 3.279 . 0 0 "[ . 1 . 2]" 1
374 1 47 VAL HA 1 47 VAL QG . . 2.990 2.253 2.170 2.336 . 0 0 "[ . 1 . 2]" 1
375 1 47 VAL HA 1 47 VAL MG2 . . 3.480 2.297 2.203 2.392 . 0 0 "[ . 1 . 2]" 1
376 1 47 VAL HB 1 48 GLY H . . 4.770 4.136 3.958 4.466 . 0 0 "[ . 1 . 2]" 1
377 1 47 VAL QG 1 48 GLY H . . 4.070 2.559 2.206 3.195 . 0 0 "[ . 1 . 2]" 1
378 1 47 VAL QG 1 52 LEU QD . . 2.610 2.098 1.742 2.593 . 0 0 "[ . 1 . 2]" 1
379 1 47 VAL QG 1 55 SER QB . . 3.660 3.203 2.160 3.951 0.291 6 0 "[ . 1 . 2]" 1
380 1 49 GLU H 1 49 GLU QG . . 4.740 2.936 2.018 4.135 . 0 0 "[ . 1 . 2]" 1
381 1 49 GLU HA 1 49 GLU QG . . 3.430 2.763 2.246 3.383 . 0 0 "[ . 1 . 2]" 1
382 1 49 GLU QB 1 49 GLU QG . . 2.380 2.072 2.006 2.126 . 0 0 "[ . 1 . 2]" 1
383 1 50 GLU HA 1 51 PRO HD2 . . 4.150 3.299 2.313 4.033 . 0 0 "[ . 1 . 2]" 1
384 1 50 GLU HA 1 51 PRO QD . . 3.580 2.984 2.136 3.645 0.065 18 0 "[ . 1 . 2]" 1
385 1 50 GLU HA 1 51 PRO HD3 . . 4.150 3.413 2.374 4.214 0.064 20 0 "[ . 1 . 2]" 1
386 1 50 GLU QG 1 51 PRO HD2 . . 4.370 3.739 1.999 4.488 0.118 8 0 "[ . 1 . 2]" 1
387 1 50 GLU QG 1 51 PRO QD . . 3.840 3.280 1.985 3.870 0.030 8 0 "[ . 1 . 2]" 1
388 1 50 GLU QG 1 51 PRO HD3 . . 4.370 3.904 2.653 4.420 0.050 14 0 "[ . 1 . 2]" 1
389 1 52 LEU HA 1 52 LEU MD1 . . 3.560 2.855 2.097 3.689 0.129 4 0 "[ . 1 . 2]" 1
390 1 52 LEU HA 1 52 LEU QD . . 3.100 2.281 1.983 3.091 . 0 0 "[ . 1 . 2]" 1
391 1 52 LEU HA 1 52 LEU MD2 . . 3.560 2.609 2.083 3.739 0.179 1 0 "[ . 1 . 2]" 1
392 1 52 LEU HA 1 56 LEU H . . 4.930 4.110 3.484 4.730 . 0 0 "[ . 1 . 2]" 1
393 1 52 LEU QB 1 52 LEU QD . . 2.710 2.011 1.893 2.105 . 0 0 "[ . 1 . 2]" 1
394 1 52 LEU QD 1 55 SER H . . 5.430 4.390 3.809 4.726 . 0 0 "[ . 1 . 2]" 1
395 1 52 LEU QD 1 56 LEU H . . 4.370 3.601 2.777 4.556 0.186 5 0 "[ . 1 . 2]" 1
396 1 53 GLN H 1 53 GLN HE21 . . 4.950 3.749 2.498 4.990 0.040 11 0 "[ . 1 . 2]" 1
397 1 53 GLN H 1 53 GLN HE22 . . 5.500 4.439 2.681 5.582 0.082 6 0 "[ . 1 . 2]" 1
398 1 53 GLN H 1 53 GLN QG . . 4.640 3.295 2.050 4.064 . 0 0 "[ . 1 . 2]" 1
399 1 53 GLN HA 1 53 GLN HE21 . . 4.850 3.526 2.135 4.663 . 0 0 "[ . 1 . 2]" 1
400 1 53 GLN HA 1 53 GLN HE22 . . 4.820 4.256 3.373 5.000 0.180 12 0 "[ . 1 . 2]" 1
401 1 53 GLN HA 1 53 GLN QG . . 3.350 2.705 2.221 3.479 0.129 12 0 "[ . 1 . 2]" 1
402 1 53 GLN HA 1 56 LEU H . . 4.250 4.070 3.814 4.288 0.038 18 0 "[ . 1 . 2]" 1
403 1 53 GLN HA 1 56 LEU HB3 . . 4.660 4.367 4.081 4.557 . 0 0 "[ . 1 . 2]" 1
404 1 53 GLN HA 1 56 LEU MD2 . . 3.210 2.309 2.118 2.745 . 0 0 "[ . 1 . 2]" 1
405 1 53 GLN QB 1 53 GLN HE21 . . 3.690 2.747 1.992 3.788 0.098 2 0 "[ . 1 . 2]" 1
406 1 53 GLN QB 1 53 GLN HE22 . . 4.020 3.721 3.326 4.165 0.145 2 0 "[ . 1 . 2]" 1
407 1 53 GLN HB2 1 53 GLN HE21 . . 4.340 3.154 2.191 4.376 0.036 2 0 "[ . 1 . 2]" 1
408 1 53 GLN HB3 1 53 GLN HE21 . . 4.340 3.639 2.003 4.357 0.017 20 0 "[ . 1 . 2]" 1
409 1 53 GLN HE22 1 53 GLN QG . . 3.420 3.404 3.293 3.468 0.048 12 0 "[ . 1 . 2]" 1
410 1 53 GLN QG 1 54 GLN H . . 5.310 4.207 2.821 4.674 . 0 0 "[ . 1 . 2]" 1
411 1 54 GLN H 1 55 SER H . . 4.160 2.476 2.263 3.002 . 0 0 "[ . 1 . 2]" 1
412 1 54 GLN HA 1 54 GLN HE21 . . 5.270 3.218 1.946 4.773 . 0 0 "[ . 1 . 2]" 1
413 1 54 GLN HA 1 54 GLN QE . . 4.550 3.068 1.938 4.458 . 0 0 "[ . 1 . 2]" 1
414 1 54 GLN HA 1 54 GLN HE22 . . 5.270 4.094 3.244 5.372 0.102 20 0 "[ . 1 . 2]" 1
415 1 54 GLN HA 1 54 GLN QG . . 3.320 2.591 2.082 3.380 0.060 10 0 "[ . 1 . 2]" 1
416 1 54 GLN HA 1 56 LEU H . . 4.520 4.469 4.231 4.638 0.118 19 0 "[ . 1 . 2]" 1
417 1 54 GLN HA 1 57 ASP H . . 3.690 3.223 3.023 3.468 . 0 0 "[ . 1 . 2]" 1
418 1 54 GLN HA 1 57 ASP HB2 . . 4.010 2.607 2.141 3.115 . 0 0 "[ . 1 . 2]" 1
419 1 54 GLN HA 1 57 ASP QB . . 3.380 2.411 2.101 2.893 . 0 0 "[ . 1 . 2]" 1
420 1 54 GLN HA 1 57 ASP HB3 . . 4.010 3.143 2.290 4.022 0.012 17 0 "[ . 1 . 2]" 1
421 1 54 GLN QB 1 55 SER H . . 3.410 2.796 2.461 3.477 0.067 10 0 "[ . 1 . 2]" 1
422 1 54 GLN QB 1 56 LEU H . . 4.970 4.934 4.719 5.126 0.156 19 0 "[ . 1 . 2]" 1
423 1 54 GLN QB 1 57 ASP H . . 4.810 4.842 4.476 4.952 0.142 19 0 "[ . 1 . 2]" 1
424 1 54 GLN QG 1 55 SER H . . 4.350 4.082 2.196 4.692 0.342 3 0 "[ . 1 . 2]" 1
425 1 54 GLN QG 1 57 ASP H . . 4.900 4.943 4.590 5.107 0.207 3 0 "[ . 1 . 2]" 1
426 1 55 SER H 1 55 SER QB . . 3.690 2.453 2.206 2.718 . 0 0 "[ . 1 . 2]" 1
427 1 55 SER H 1 56 LEU H . . 3.800 2.742 2.596 2.907 . 0 0 "[ . 1 . 2]" 1
428 1 55 SER H 1 56 LEU MD2 . . 4.990 4.965 4.715 5.188 0.198 3 0 "[ . 1 . 2]" 1
429 1 55 SER H 1 57 ASP H . . 4.490 4.045 3.803 4.221 . 0 0 "[ . 1 . 2]" 1
430 1 55 SER HA 1 58 ARG H . . 4.200 3.951 3.650 4.260 0.060 16 0 "[ . 1 . 2]" 1
431 1 55 SER QB 1 56 LEU H . . 3.680 2.867 2.322 3.532 . 0 0 "[ . 1 . 2]" 1
432 1 56 LEU H 1 56 LEU HB2 . . 3.810 3.598 3.567 3.656 . 0 0 "[ . 1 . 2]" 1
433 1 56 LEU H 1 56 LEU HB3 . . 3.710 2.346 2.284 2.449 . 0 0 "[ . 1 . 2]" 1
434 1 56 LEU H 1 56 LEU MD1 . . 4.260 4.106 4.012 4.229 . 0 0 "[ . 1 . 2]" 1
435 1 56 LEU H 1 56 LEU MD2 . . 3.460 3.289 3.158 3.406 . 0 0 "[ . 1 . 2]" 1
436 1 56 LEU H 1 56 LEU HG . . 3.390 2.787 2.617 2.984 . 0 0 "[ . 1 . 2]" 1
437 1 56 LEU H 1 57 ASP H . . 3.480 2.702 2.475 2.858 . 0 0 "[ . 1 . 2]" 1
438 1 56 LEU H 1 57 ASP QB . . 4.570 4.408 4.161 4.595 0.025 6 0 "[ . 1 . 2]" 1
439 1 56 LEU HA 1 56 LEU MD1 . . 3.560 3.561 3.495 3.599 0.039 18 0 "[ . 1 . 2]" 1
440 1 56 LEU HA 1 56 LEU MD2 . . 4.130 4.130 4.102 4.158 0.028 3 0 "[ . 1 . 2]" 1
441 1 56 LEU HA 1 56 LEU HG . . 3.870 3.756 3.721 3.794 . 0 0 "[ . 1 . 2]" 1
442 1 56 LEU HA 1 59 LEU H . . 3.910 3.374 3.069 3.531 . 0 0 "[ . 1 . 2]" 1
443 1 56 LEU HA 1 59 LEU QB . . 3.700 2.246 2.063 2.472 . 0 0 "[ . 1 . 2]" 1
444 1 56 LEU HA 1 59 LEU QD . . 4.240 2.923 2.666 3.208 . 0 0 "[ . 1 . 2]" 1
445 1 56 LEU HA 1 60 ARG H . . 4.040 3.703 3.432 3.979 . 0 0 "[ . 1 . 2]" 1
446 1 56 LEU HB2 1 56 LEU MD1 . . 3.230 2.278 2.206 2.307 . 0 0 "[ . 1 . 2]" 1
447 1 56 LEU HB2 1 56 LEU MD2 . . 3.030 2.629 2.570 2.687 . 0 0 "[ . 1 . 2]" 1
448 1 56 LEU HB2 1 57 ASP H . . 4.340 4.224 4.168 4.291 . 0 0 "[ . 1 . 2]" 1
449 1 56 LEU HB2 1 59 LEU QB . . 4.040 3.866 3.581 4.090 0.050 13 0 "[ . 1 . 2]" 1
450 1 56 LEU HB2 1 59 LEU QD . . 4.190 3.817 3.505 4.305 0.115 17 0 "[ . 1 . 2]" 1
451 1 56 LEU HB3 1 56 LEU MD2 . . 3.640 2.206 2.183 2.229 . 0 0 "[ . 1 . 2]" 1
452 1 56 LEU HB3 1 57 ASP H . . 3.930 3.965 3.859 4.008 0.078 2 0 "[ . 1 . 2]" 1
453 1 56 LEU MD1 1 57 ASP H . . 4.450 3.205 3.052 3.415 . 0 0 "[ . 1 . 2]" 1
454 1 56 LEU MD1 1 58 ARG H . . 5.090 5.029 4.800 5.141 0.051 19 0 "[ . 1 . 2]" 1
455 1 56 LEU MD1 1 60 ARG H . . 4.180 4.010 3.658 4.195 0.015 17 0 "[ . 1 . 2]" 1
456 1 56 LEU MD2 1 57 ASP H . . 4.040 4.035 3.864 4.177 0.137 7 0 "[ . 1 . 2]" 1
457 1 56 LEU HG 1 57 ASP H . . 3.610 2.393 2.287 2.586 . 0 0 "[ . 1 . 2]" 1
458 1 57 ASP H 1 57 ASP HB2 . . 3.260 2.212 2.053 2.483 . 0 0 "[ . 1 . 2]" 1
459 1 57 ASP H 1 57 ASP QB . . 2.780 2.133 2.034 2.256 . 0 0 "[ . 1 . 2]" 1
460 1 57 ASP H 1 57 ASP HB3 . . 3.260 2.994 2.473 3.442 0.182 17 0 "[ . 1 . 2]" 1
461 1 57 ASP H 1 58 ARG H . . 3.310 2.829 2.616 3.009 . 0 0 "[ . 1 . 2]" 1
462 1 57 ASP H 1 59 LEU H . . 4.800 4.098 3.925 4.308 . 0 0 "[ . 1 . 2]" 1
463 1 57 ASP HA 1 60 ARG QD . . 4.270 3.485 2.061 4.162 . 0 0 "[ . 1 . 2]" 1
464 1 57 ASP HB2 1 58 ARG H . . 3.700 3.429 2.628 3.853 0.153 18 0 "[ . 1 . 2]" 1
465 1 57 ASP HB3 1 58 ARG H . . 3.700 2.682 2.310 3.227 . 0 0 "[ . 1 . 2]" 1
466 1 58 ARG H 1 58 ARG QB . . 3.150 2.576 2.376 2.854 . 0 0 "[ . 1 . 2]" 1
467 1 58 ARG H 1 58 ARG QD . . 4.130 3.853 3.016 4.292 0.162 7 0 "[ . 1 . 2]" 1
468 1 58 ARG H 1 58 ARG HG2 . . 3.680 2.663 2.024 3.565 . 0 0 "[ . 1 . 2]" 1
469 1 58 ARG H 1 58 ARG QG . . 3.050 2.200 1.877 2.484 . 0 0 "[ . 1 . 2]" 1
470 1 58 ARG H 1 58 ARG HG3 . . 3.680 2.923 2.038 3.742 0.062 13 0 "[ . 1 . 2]" 1
471 1 58 ARG H 1 59 LEU H . . 2.860 2.668 2.561 2.813 . 0 0 "[ . 1 . 2]" 1
472 1 58 ARG H 1 59 LEU QD . . 5.440 5.609 5.517 5.719 0.279 9 0 "[ . 1 . 2]" 1
473 1 58 ARG H 1 61 ALA MB . . 4.800 4.595 4.429 4.808 0.008 14 0 "[ . 1 . 2]" 1
474 1 58 ARG HA 1 58 ARG QD . . 4.690 3.697 2.056 4.552 . 0 0 "[ . 1 . 2]" 1
475 1 58 ARG HA 1 58 ARG HG2 . . 3.920 3.241 2.241 3.916 . 0 0 "[ . 1 . 2]" 1
476 1 58 ARG HA 1 58 ARG HG3 . . 3.920 3.528 2.944 3.898 . 0 0 "[ . 1 . 2]" 1
477 1 58 ARG HA 1 61 ALA H . . 3.710 3.551 3.292 3.811 0.101 15 0 "[ . 1 . 2]" 1
478 1 58 ARG HA 1 61 ALA MB . . 2.820 2.446 2.136 2.713 . 0 0 "[ . 1 . 2]" 1
479 1 58 ARG QB 1 58 ARG QG . . 2.360 2.084 1.982 2.140 . 0 0 "[ . 1 . 2]" 1
480 1 58 ARG QB 1 59 LEU H . . 3.890 2.984 2.398 3.717 . 0 0 "[ . 1 . 2]" 1
481 1 58 ARG QB 1 61 ALA MB . . 5.250 3.951 3.579 4.371 . 0 0 "[ . 1 . 2]" 1
482 1 58 ARG HB2 1 59 LEU H . . 4.550 3.147 2.445 4.107 . 0 0 "[ . 1 . 2]" 1
483 1 58 ARG HB3 1 59 LEU H . . 4.550 3.888 3.461 4.319 . 0 0 "[ . 1 . 2]" 1
484 1 58 ARG QD 1 59 LEU H . . 4.940 4.636 3.828 5.009 0.069 13 0 "[ . 1 . 2]" 1
485 1 58 ARG QG 1 59 LEU H . . 3.930 3.384 2.208 4.126 0.196 6 0 "[ . 1 . 2]" 1
486 1 59 LEU H 1 59 LEU HB2 . . 3.750 2.445 2.162 2.650 . 0 0 "[ . 1 . 2]" 1
487 1 59 LEU H 1 59 LEU QB . . 3.120 2.200 2.108 2.289 . 0 0 "[ . 1 . 2]" 1
488 1 59 LEU H 1 59 LEU HB3 . . 3.750 2.596 2.378 2.947 . 0 0 "[ . 1 . 2]" 1
489 1 59 LEU H 1 59 LEU MD1 . . 4.640 4.209 4.059 4.289 . 0 0 "[ . 1 . 2]" 1
490 1 59 LEU H 1 59 LEU MD2 . . 4.640 4.279 4.191 4.386 . 0 0 "[ . 1 . 2]" 1
491 1 59 LEU H 1 60 ARG H . . 3.320 3.041 2.814 3.240 . 0 0 "[ . 1 . 2]" 1
492 1 59 LEU H 1 60 ARG QG . . 4.990 4.353 4.124 4.704 . 0 0 "[ . 1 . 2]" 1
493 1 59 LEU HA 1 59 LEU QD . . 3.650 2.324 2.164 2.509 . 0 0 "[ . 1 . 2]" 1
494 1 59 LEU HA 1 62 TYR H . . 4.140 3.698 3.510 3.987 . 0 0 "[ . 1 . 2]" 1
495 1 59 LEU HA 1 62 TYR QB . . 5.060 3.168 2.728 3.474 . 0 0 "[ . 1 . 2]" 1
496 1 59 LEU QB 1 60 ARG H . . 2.940 2.356 2.141 2.520 . 0 0 "[ . 1 . 2]" 1
497 1 59 LEU QD 1 60 ARG H . . 4.100 3.553 3.172 3.836 . 0 0 "[ . 1 . 2]" 1
498 1 59 LEU QD 1 61 ALA H . . 5.320 4.958 4.665 5.155 . 0 0 "[ . 1 . 2]" 1
499 1 59 LEU QD 1 62 TYR H . . 4.810 4.615 4.426 4.983 0.173 19 0 "[ . 1 . 2]" 1
500 1 59 LEU QD 1 62 TYR QB . . 4.650 3.648 3.073 4.410 . 0 0 "[ . 1 . 2]" 1
501 1 59 LEU QD 1 62 TYR QD . . 4.770 3.309 2.374 4.876 0.106 9 0 "[ . 1 . 2]" 1
502 1 59 LEU QD 1 63 ILE H . . 4.270 3.895 3.705 4.028 . 0 0 "[ . 1 . 2]" 1
503 1 59 LEU QD 1 63 ILE MD . . 2.380 2.022 1.890 2.304 . 0 0 "[ . 1 . 2]" 1
504 1 59 LEU QD 1 63 ILE HG12 . . 5.130 3.906 3.446 4.107 . 0 0 "[ . 1 . 2]" 1
505 1 59 LEU MD1 1 60 ARG H . . 4.710 4.221 4.021 4.395 . 0 0 "[ . 1 . 2]" 1
506 1 59 LEU MD1 1 63 ILE MD . . 3.910 2.723 1.989 3.953 0.043 2 0 "[ . 1 . 2]" 1
507 1 59 LEU MD2 1 60 ARG H . . 4.710 3.841 3.321 4.266 . 0 0 "[ . 1 . 2]" 1
508 1 59 LEU MD2 1 63 ILE MD . . 3.910 2.905 1.894 3.682 . 0 0 "[ . 1 . 2]" 1
509 1 59 LEU HG 1 60 ARG H . . 5.500 3.822 3.046 4.985 . 0 0 "[ . 1 . 2]" 1
510 1 60 ARG H 1 60 ARG HA . . 2.860 2.869 2.832 2.935 0.075 19 0 "[ . 1 . 2]" 1
511 1 60 ARG H 1 60 ARG QB . . 3.040 2.495 2.329 2.673 . 0 0 "[ . 1 . 2]" 1
512 1 60 ARG H 1 60 ARG QD . . 4.100 3.996 3.038 4.216 0.116 15 0 "[ . 1 . 2]" 1
513 1 60 ARG H 1 60 ARG QG . . 3.260 2.312 2.113 2.731 . 0 0 "[ . 1 . 2]" 1
514 1 60 ARG H 1 61 ALA H . . 3.130 2.723 2.636 2.796 . 0 0 "[ . 1 . 2]" 1
515 1 60 ARG H 1 61 ALA HA . . 5.250 5.341 5.263 5.378 0.128 13 0 "[ . 1 . 2]" 1
516 1 60 ARG H 1 63 ILE MD . . 3.910 3.976 3.746 4.124 0.214 13 0 "[ . 1 . 2]" 1
517 1 60 ARG HA 1 60 ARG QD . . 4.190 4.032 3.749 4.374 0.184 5 0 "[ . 1 . 2]" 1
518 1 60 ARG HA 1 60 ARG QG . . 3.820 3.451 3.309 3.570 . 0 0 "[ . 1 . 2]" 1
519 1 60 ARG HA 1 62 TYR H . . 4.600 4.464 4.284 4.622 0.022 3 0 "[ . 1 . 2]" 1
520 1 60 ARG HA 1 63 ILE H . . 3.490 3.501 3.165 3.609 0.119 4 0 "[ . 1 . 2]" 1
521 1 60 ARG HA 1 63 ILE HB . . 4.040 2.800 2.250 3.184 . 0 0 "[ . 1 . 2]" 1
522 1 60 ARG HA 1 63 ILE MD . . 3.300 2.390 2.089 2.598 . 0 0 "[ . 1 . 2]" 1
523 1 60 ARG HA 1 63 ILE MG . . 4.510 4.184 3.637 4.558 0.048 4 0 "[ . 1 . 2]" 1
524 1 60 ARG HA 1 64 ALA H . . 4.340 4.029 3.755 4.343 0.003 13 0 "[ . 1 . 2]" 1
525 1 60 ARG QB 1 61 ALA H . . 3.670 3.649 3.468 3.737 0.067 3 0 "[ . 1 . 2]" 1
526 1 60 ARG QB 1 64 ALA H . . 5.500 4.806 4.566 5.297 . 0 0 "[ . 1 . 2]" 1
527 1 60 ARG QD 1 61 ALA H . . 4.060 3.564 2.884 4.251 0.191 18 0 "[ . 1 . 2]" 1
528 1 60 ARG QD 1 61 ALA HA . . 4.980 3.783 2.758 5.063 0.083 5 0 "[ . 1 . 2]" 1
529 1 60 ARG QG 1 61 ALA H . . 2.950 2.416 2.150 2.841 . 0 0 "[ . 1 . 2]" 1
530 1 61 ALA H 1 61 ALA MB . . 2.800 2.249 2.216 2.292 . 0 0 "[ . 1 . 2]" 1
531 1 61 ALA H 1 62 TYR H . . 3.270 2.709 2.476 2.931 . 0 0 "[ . 1 . 2]" 1
532 1 61 ALA H 1 63 ILE MD . . 4.620 4.697 4.553 4.949 0.329 3 0 "[ . 1 . 2]" 1
533 1 61 ALA HA 1 62 TYR H . . 3.530 3.605 3.576 3.648 0.118 19 0 "[ . 1 . 2]" 1
534 1 61 ALA HA 1 64 ALA H . . 4.030 3.443 3.159 3.625 . 0 0 "[ . 1 . 2]" 1
535 1 61 ALA HA 1 64 ALA MB . . 3.520 2.566 2.331 3.014 . 0 0 "[ . 1 . 2]" 1
536 1 61 ALA MB 1 62 TYR H . . 3.240 2.628 2.435 2.828 . 0 0 "[ . 1 . 2]" 1
537 1 62 TYR H 1 62 TYR HB2 . . 3.620 2.690 2.046 3.248 . 0 0 "[ . 1 . 2]" 1
538 1 62 TYR H 1 62 TYR QB . . 3.100 2.245 1.980 2.550 . 0 0 "[ . 1 . 2]" 1
539 1 62 TYR H 1 62 TYR HB3 . . 3.620 2.938 2.007 3.655 0.035 7 0 "[ . 1 . 2]" 1
540 1 62 TYR H 1 62 TYR QD . . 3.770 3.374 2.992 3.805 0.035 3 0 "[ . 1 . 2]" 1
541 1 62 TYR H 1 62 TYR QE . . 5.500 5.211 4.503 5.930 0.430 3 0 "[ . 1 . 2]" 1
542 1 62 TYR H 1 63 ILE H . . 3.460 2.887 2.628 3.100 . 0 0 "[ . 1 . 2]" 1
543 1 62 TYR HA 1 62 TYR QD . . 3.750 2.667 2.130 3.198 . 0 0 "[ . 1 . 2]" 1
544 1 62 TYR HA 1 62 TYR QE . . 5.500 4.690 4.218 5.234 . 0 0 "[ . 1 . 2]" 1
545 1 62 TYR HA 1 64 ALA H . . 4.680 4.445 4.277 4.628 . 0 0 "[ . 1 . 2]" 1
546 1 62 TYR HA 1 65 ALA H . . 3.730 3.452 3.265 3.719 . 0 0 "[ . 1 . 2]" 1
547 1 62 TYR HA 1 65 ALA MB . . 3.190 2.766 2.513 3.152 . 0 0 "[ . 1 . 2]" 1
548 1 62 TYR HA 1 66 GLU H . . 4.880 4.017 3.632 4.896 0.016 18 0 "[ . 1 . 2]" 1
549 1 62 TYR QB 1 63 ILE H . . 3.420 2.679 2.374 3.157 . 0 0 "[ . 1 . 2]" 1
550 1 62 TYR QD 1 63 ILE H . . 4.390 3.714 2.618 4.398 0.008 13 0 "[ . 1 . 2]" 1
551 1 62 TYR QD 1 63 ILE MD . . 3.920 3.809 3.403 4.001 0.081 11 0 "[ . 1 . 2]" 1
552 1 62 TYR QD 1 66 GLU H . . 5.180 5.113 4.531 5.515 0.335 11 0 "[ . 1 . 2]" 1
553 1 63 ILE H 1 63 ILE HB . . 2.880 2.478 2.383 2.579 . 0 0 "[ . 1 . 2]" 1
554 1 63 ILE H 1 63 ILE MD . . 3.000 2.431 1.915 3.331 0.331 19 0 "[ . 1 . 2]" 1
555 1 63 ILE H 1 63 ILE HG12 . . 5.500 3.853 3.629 3.961 . 0 0 "[ . 1 . 2]" 1
556 1 63 ILE H 1 63 ILE HG13 . . 3.000 2.786 2.224 3.123 0.123 9 0 "[ . 1 . 2]" 1
557 1 63 ILE H 1 63 ILE MG . . 4.100 3.805 3.775 3.845 . 0 0 "[ . 1 . 2]" 1
558 1 63 ILE H 1 64 ALA H . . 3.420 2.872 2.819 3.006 . 0 0 "[ . 1 . 2]" 1
559 1 63 ILE H 1 64 ALA MB . . 4.590 4.475 4.398 4.650 0.060 19 0 "[ . 1 . 2]" 1
560 1 63 ILE H 1 65 ALA H . . 4.350 4.293 4.197 4.377 0.027 4 0 "[ . 1 . 2]" 1
561 1 63 ILE H 1 65 ALA MB . . 5.500 5.100 4.949 5.310 . 0 0 "[ . 1 . 2]" 1
562 1 63 ILE H 1 66 GLU QB . . 5.340 5.002 4.601 5.382 0.042 10 0 "[ . 1 . 2]" 1
563 1 63 ILE HA 1 63 ILE MD . . 3.840 3.544 3.252 3.938 0.098 19 0 "[ . 1 . 2]" 1
564 1 63 ILE HA 1 63 ILE HG13 . . 3.790 2.422 2.219 2.848 . 0 0 "[ . 1 . 2]" 1
565 1 63 ILE HA 1 63 ILE MG . . 2.550 2.515 2.411 2.583 0.033 18 0 "[ . 1 . 2]" 1
566 1 63 ILE HA 1 65 ALA H . . 4.560 4.276 4.053 4.540 . 0 0 "[ . 1 . 2]" 1
567 1 63 ILE HA 1 66 GLU H . . 4.700 3.600 3.372 3.902 . 0 0 "[ . 1 . 2]" 1
568 1 63 ILE HA 1 66 GLU QB . . 3.980 3.014 2.486 3.719 . 0 0 "[ . 1 . 2]" 1
569 1 63 ILE HA 1 66 GLU QG . . 5.020 4.072 2.076 4.847 . 0 0 "[ . 1 . 2]" 1
570 1 63 ILE HA 1 67 LEU H . . 4.100 3.331 2.984 3.641 . 0 0 "[ . 1 . 2]" 1
571 1 63 ILE HA 1 67 LEU QD . . 5.010 2.671 2.054 3.876 . 0 0 "[ . 1 . 2]" 1
572 1 63 ILE HB 1 63 ILE MD . . 2.770 2.272 2.186 2.374 . 0 0 "[ . 1 . 2]" 1
573 1 63 ILE HB 1 64 ALA H . . 3.230 2.758 2.672 2.867 . 0 0 "[ . 1 . 2]" 1
574 1 63 ILE HB 1 64 ALA MB . . 3.960 3.978 3.871 4.036 0.076 17 0 "[ . 1 . 2]" 1
575 1 63 ILE HB 1 75 ALA MB . . 4.560 4.282 4.078 4.535 . 0 0 "[ . 1 . 2]" 1
576 1 63 ILE MD 1 75 ALA MB . . 4.150 3.655 2.575 4.213 0.063 12 0 "[ . 1 . 2]" 1
577 1 63 ILE HG13 1 64 ALA H . . 4.840 4.783 4.509 4.924 0.084 4 0 "[ . 1 . 2]" 1
578 1 63 ILE MG 1 64 ALA H . . 3.430 3.397 3.262 3.465 0.035 19 0 "[ . 1 . 2]" 1
579 1 63 ILE MG 1 64 ALA HA . . 3.840 3.400 3.302 3.474 . 0 0 "[ . 1 . 2]" 1
580 1 63 ILE MG 1 64 ALA MB . . 3.890 3.861 3.660 3.942 0.052 15 0 "[ . 1 . 2]" 1
581 1 63 ILE MG 1 65 ALA H . . 5.010 4.943 4.768 5.026 0.016 3 0 "[ . 1 . 2]" 1
582 1 63 ILE MG 1 67 LEU H . . 4.000 3.724 3.350 3.978 . 0 0 "[ . 1 . 2]" 1
583 1 63 ILE MG 1 67 LEU QD . . 3.760 2.118 1.910 2.284 . 0 0 "[ . 1 . 2]" 1
584 1 63 ILE MG 1 68 GLN H . . 5.500 5.626 5.509 5.943 0.443 19 0 "[ . 1 . 2]" 1
585 1 63 ILE MG 1 72 ARG HA . . 3.700 2.492 2.340 2.759 . 0 0 "[ . 1 . 2]" 1
586 1 63 ILE MG 1 72 ARG QG . . 3.680 2.162 1.854 2.598 . 0 0 "[ . 1 . 2]" 1
587 1 63 ILE MG 1 75 ALA MB . . 3.270 2.098 1.975 2.323 . 0 0 "[ . 1 . 2]" 1
588 1 63 ILE MG 1 76 LEU H . . 3.970 3.724 3.242 4.000 0.030 20 0 "[ . 1 . 2]" 1
589 1 64 ALA H 1 64 ALA MB . . 2.750 2.177 2.143 2.219 . 0 0 "[ . 1 . 2]" 1
590 1 64 ALA H 1 65 ALA H . . 3.240 2.704 2.568 2.812 . 0 0 "[ . 1 . 2]" 1
591 1 64 ALA HA 1 67 LEU H . . 4.540 4.114 3.703 4.563 0.023 1 0 "[ . 1 . 2]" 1
592 1 64 ALA HA 1 72 ARG QD . . 3.860 2.731 1.805 3.942 0.082 12 0 "[ . 1 . 2]" 1
593 1 64 ALA HA 1 72 ARG QG . . 3.270 2.470 1.999 3.200 . 0 0 "[ . 1 . 2]" 1
594 1 64 ALA MB 1 65 ALA H . . 2.800 2.864 2.799 3.000 0.200 19 0 "[ . 1 . 2]" 1
595 1 64 ALA MB 1 72 ARG HD2 . . 4.120 2.950 2.233 4.252 0.132 4 0 "[ . 1 . 2]" 1
596 1 64 ALA MB 1 72 ARG QD . . 3.620 2.783 2.212 3.668 0.048 12 0 "[ . 1 . 2]" 1
597 1 64 ALA MB 1 72 ARG HD3 . . 4.120 3.919 2.680 4.238 0.118 13 0 "[ . 1 . 2]" 1
598 1 65 ALA H 1 65 ALA MB . . 2.710 2.240 2.198 2.300 . 0 0 "[ . 1 . 2]" 1
599 1 65 ALA H 1 66 GLU H . . 3.240 2.493 2.268 2.784 . 0 0 "[ . 1 . 2]" 1
600 1 65 ALA H 1 66 GLU QG . . 4.340 4.242 3.676 4.490 0.150 3 0 "[ . 1 . 2]" 1
601 1 65 ALA MB 1 66 GLU H . . 3.500 2.691 2.176 3.271 . 0 0 "[ . 1 . 2]" 1
602 1 65 ALA MB 1 66 GLU HA . . 4.250 4.008 3.773 4.249 . 0 0 "[ . 1 . 2]" 1
603 1 66 GLU H 1 66 GLU QB . . 3.580 2.370 2.168 2.558 . 0 0 "[ . 1 . 2]" 1
604 1 66 GLU H 1 66 GLU HG2 . . 4.090 2.757 2.187 3.519 . 0 0 "[ . 1 . 2]" 1
605 1 66 GLU H 1 66 GLU QG . . 3.240 2.553 2.098 2.915 . 0 0 "[ . 1 . 2]" 1
606 1 66 GLU H 1 66 GLU HG3 . . 4.090 3.500 2.114 4.077 . 0 0 "[ . 1 . 2]" 1
607 1 66 GLU H 1 67 LEU H . . 3.250 2.609 2.042 2.984 . 0 0 "[ . 1 . 2]" 1
608 1 66 GLU HA 1 66 GLU QG . . 3.560 2.755 2.254 3.354 . 0 0 "[ . 1 . 2]" 1
609 1 66 GLU QB 1 67 LEU H . . 3.180 2.651 2.323 3.344 0.164 10 0 "[ . 1 . 2]" 1
610 1 66 GLU HB2 1 67 LEU H . . 3.730 2.747 2.369 3.817 0.087 10 0 "[ . 1 . 2]" 1
611 1 66 GLU HB3 1 67 LEU H . . 3.730 3.573 3.229 3.774 0.044 15 0 "[ . 1 . 2]" 1
612 1 66 GLU QG 1 67 LEU H . . 5.340 4.125 2.053 4.465 . 0 0 "[ . 1 . 2]" 1
613 1 67 LEU H 1 67 LEU HB2 . . 3.650 2.456 2.334 2.609 . 0 0 "[ . 1 . 2]" 1
614 1 67 LEU H 1 67 LEU HB3 . . 3.650 3.631 3.550 3.712 0.062 13 0 "[ . 1 . 2]" 1
615 1 67 LEU H 1 67 LEU MD1 . . 3.980 3.650 2.296 4.004 0.024 20 0 "[ . 1 . 2]" 1
616 1 67 LEU H 1 67 LEU QD . . 3.470 2.607 2.221 3.535 0.065 5 0 "[ . 1 . 2]" 1
617 1 67 LEU H 1 67 LEU MD2 . . 3.980 2.950 2.235 4.089 0.109 19 0 "[ . 1 . 2]" 1
618 1 67 LEU H 1 67 LEU HG . . 3.950 3.621 2.438 4.078 0.128 11 0 "[ . 1 . 2]" 1
619 1 67 LEU H 1 68 GLN H . . 4.630 4.525 4.426 4.637 0.007 3 0 "[ . 1 . 2]" 1
620 1 67 LEU HA 1 67 LEU QD . . 3.250 2.231 2.047 2.900 . 0 0 "[ . 1 . 2]" 1
621 1 67 LEU HA 1 68 GLN H . . 2.960 2.421 2.038 2.876 . 0 0 "[ . 1 . 2]" 1
622 1 67 LEU QB 1 68 GLN H . . 3.460 2.248 1.814 2.938 . 0 0 "[ . 1 . 2]" 1
623 1 67 LEU QB 1 69 GLU H . . 4.560 4.433 4.021 4.654 0.094 9 0 "[ . 1 . 2]" 1
624 1 67 LEU QB 1 71 ALA H . . 5.340 4.466 4.313 4.624 . 0 0 "[ . 1 . 2]" 1
625 1 67 LEU QB 1 72 ARG H . . 3.300 3.073 2.841 3.330 0.030 7 0 "[ . 1 . 2]" 1
626 1 67 LEU QB 1 72 ARG HA . . 4.500 2.838 2.322 3.180 . 0 0 "[ . 1 . 2]" 1
627 1 67 LEU QB 1 72 ARG HB2 . . 4.850 2.842 2.567 3.207 . 0 0 "[ . 1 . 2]" 1
628 1 67 LEU HB2 1 68 GLN H . . 4.040 3.521 3.048 4.064 0.024 17 0 "[ . 1 . 2]" 1
629 1 67 LEU HB2 1 72 ARG H . . 3.980 3.948 3.816 4.045 0.065 7 0 "[ . 1 . 2]" 1
630 1 67 LEU HB3 1 68 GLN H . . 4.040 2.277 1.828 3.014 . 0 0 "[ . 1 . 2]" 1
631 1 67 LEU HB3 1 72 ARG H . . 3.980 3.211 2.920 3.544 . 0 0 "[ . 1 . 2]" 1
632 1 67 LEU QD 1 68 GLN H . . 3.540 3.282 2.990 3.859 0.319 19 0 "[ . 1 . 2]" 1
633 1 67 LEU QD 1 71 ALA MB . . 3.300 2.107 1.986 2.310 . 0 0 "[ . 1 . 2]" 1
634 1 67 LEU QD 1 72 ARG H . . 4.930 3.981 3.309 4.406 . 0 0 "[ . 1 . 2]" 1
635 1 67 LEU QD 1 72 ARG HA . . 4.160 3.126 2.110 3.993 . 0 0 "[ . 1 . 2]" 1
636 1 67 LEU QD 1 75 ALA H . . 5.210 4.308 3.378 5.177 . 0 0 "[ . 1 . 2]" 1
637 1 67 LEU QD 1 75 ALA MB . . 3.680 2.662 1.971 3.474 . 0 0 "[ . 1 . 2]" 1
638 1 67 LEU MD1 1 68 GLN H . . 4.490 3.699 3.170 4.605 0.115 2 0 "[ . 1 . 2]" 1
639 1 67 LEU MD1 1 71 ALA MB . . 4.240 2.491 1.991 4.240 . 2 0 "[ . 1 . 2]" 1
640 1 67 LEU MD2 1 68 GLN H . . 4.490 4.110 3.080 4.592 0.102 11 0 "[ . 1 . 2]" 1
641 1 67 LEU MD2 1 71 ALA MB . . 4.240 3.379 2.092 4.251 0.011 15 0 "[ . 1 . 2]" 1
642 1 68 GLN H 1 68 GLN HB2 . . 3.810 2.519 2.157 2.744 . 0 0 "[ . 1 . 2]" 1
643 1 68 GLN H 1 68 GLN QB . . 3.240 2.291 2.088 2.579 . 0 0 "[ . 1 . 2]" 1
644 1 68 GLN H 1 68 GLN HB3 . . 3.810 2.672 2.473 3.190 . 0 0 "[ . 1 . 2]" 1
645 1 68 GLN H 1 68 GLN QE . . 4.540 4.541 4.159 4.714 0.174 19 0 "[ . 1 . 2]" 1
646 1 68 GLN H 1 68 GLN QG . . 4.180 4.064 3.838 4.193 0.013 1 0 "[ . 1 . 2]" 1
647 1 68 GLN H 1 69 GLU H . . 3.760 3.351 3.034 3.585 . 0 0 "[ . 1 . 2]" 1
648 1 68 GLN H 1 70 PRO HD2 . . 4.780 4.831 4.756 4.947 0.167 19 0 "[ . 1 . 2]" 1
649 1 68 GLN H 1 71 ALA H . . 4.410 4.147 3.810 4.447 0.037 19 0 "[ . 1 . 2]" 1
650 1 68 GLN H 1 71 ALA MB . . 3.970 2.140 1.969 2.622 . 0 0 "[ . 1 . 2]" 1
651 1 68 GLN H 1 72 ARG HB2 . . 4.400 4.402 3.852 4.788 0.388 19 0 "[ . 1 . 2]" 1
652 1 68 GLN HA 1 68 GLN QE . . 3.940 2.628 1.868 3.956 0.016 17 0 "[ . 1 . 2]" 1
653 1 68 GLN HA 1 68 GLN QG . . 3.470 2.725 2.195 3.070 . 0 0 "[ . 1 . 2]" 1
654 1 68 GLN QB 1 68 GLN QE . . 4.030 2.702 1.933 3.428 . 0 0 "[ . 1 . 2]" 1
655 1 68 GLN QB 1 69 GLU H . . 3.420 1.935 1.798 2.129 . 0 0 "[ . 1 . 2]" 1
656 1 68 GLN QB 1 70 PRO HD2 . . 4.100 2.676 2.411 2.765 . 0 0 "[ . 1 . 2]" 1
657 1 68 GLN QB 1 70 PRO HD3 . . 4.340 4.335 4.096 4.394 0.054 20 0 "[ . 1 . 2]" 1
658 1 68 GLN QB 1 71 ALA H . . 4.130 3.269 3.026 3.570 . 0 0 "[ . 1 . 2]" 1
659 1 68 GLN HB2 1 68 GLN HE22 . . 5.500 4.096 3.527 5.059 . 0 0 "[ . 1 . 2]" 1
660 1 68 GLN HB2 1 69 GLU H . . 3.920 3.486 3.302 3.640 . 0 0 "[ . 1 . 2]" 1
661 1 68 GLN HB2 1 71 ALA H . . 4.960 4.816 4.512 4.994 0.034 16 0 "[ . 1 . 2]" 1
662 1 68 GLN HB3 1 68 GLN HE22 . . 5.500 4.826 3.935 5.138 . 0 0 "[ . 1 . 2]" 1
663 1 68 GLN HB3 1 69 GLU H . . 3.920 1.945 1.806 2.144 . 0 0 "[ . 1 . 2]" 1
664 1 68 GLN HB3 1 71 ALA H . . 4.960 3.329 3.063 3.727 . 0 0 "[ . 1 . 2]" 1
665 1 68 GLN QE 1 68 GLN QG . . 3.030 2.510 2.244 2.784 . 0 0 "[ . 1 . 2]" 1
666 1 68 GLN HE22 1 68 GLN QG . . 3.560 3.419 3.340 3.513 . 0 0 "[ . 1 . 2]" 1
667 1 68 GLN QG 1 69 GLU H . . 3.710 2.917 2.294 3.729 0.019 14 0 "[ . 1 . 2]" 1
668 1 68 GLN QG 1 71 ALA H . . 5.500 4.735 4.062 5.550 0.050 14 0 "[ . 1 . 2]" 1
669 1 69 GLU H 1 69 GLU QB . . 3.670 2.792 2.419 3.087 . 0 0 "[ . 1 . 2]" 1
670 1 69 GLU H 1 69 GLU QG . . 4.550 4.105 3.919 4.262 . 0 0 "[ . 1 . 2]" 1
671 1 69 GLU H 1 70 PRO HA . . 4.660 4.727 4.650 4.833 0.173 1 0 "[ . 1 . 2]" 1
672 1 69 GLU H 1 70 PRO HG2 . . 3.650 3.641 3.434 3.700 0.050 9 0 "[ . 1 . 2]" 1
673 1 69 GLU H 1 70 PRO HG3 . . 5.500 4.515 4.400 4.654 . 0 0 "[ . 1 . 2]" 1
674 1 69 GLU H 1 71 ALA H . . 4.570 2.761 2.600 3.012 . 0 0 "[ . 1 . 2]" 1
675 1 69 GLU H 1 71 ALA MB . . 4.300 3.196 2.889 3.526 . 0 0 "[ . 1 . 2]" 1
676 1 69 GLU H 1 72 ARG H . . 4.270 3.384 3.057 3.767 . 0 0 "[ . 1 . 2]" 1
677 1 69 GLU H 1 72 ARG HB2 . . 5.500 4.446 3.632 4.801 . 0 0 "[ . 1 . 2]" 1
678 1 69 GLU HA 1 69 GLU QG . . 3.640 2.452 2.332 2.659 . 0 0 "[ . 1 . 2]" 1
679 1 69 GLU HA 1 71 ALA H . . 4.890 4.691 4.494 4.860 . 0 0 "[ . 1 . 2]" 1
680 1 69 GLU HA 1 72 ARG H . . 3.880 3.563 3.202 3.876 . 0 0 "[ . 1 . 2]" 1
681 1 69 GLU HA 1 73 GLY H . . 4.730 4.430 4.072 4.782 0.052 16 0 "[ . 1 . 2]" 1
682 1 69 GLU QG 1 73 GLY H . . 5.340 4.844 4.462 5.231 . 0 0 "[ . 1 . 2]" 1
683 1 70 PRO HA 1 72 ARG H . . 4.290 4.190 3.968 4.396 0.106 19 0 "[ . 1 . 2]" 1
684 1 70 PRO HA 1 73 GLY H . . 4.290 3.340 3.123 3.542 . 0 0 "[ . 1 . 2]" 1
685 1 70 PRO HB2 1 74 GLN HE21 . . 3.800 3.397 3.150 3.889 0.089 19 0 "[ . 1 . 2]" 1
686 1 70 PRO HD2 1 71 ALA H . . 3.800 2.674 2.480 2.871 . 0 0 "[ . 1 . 2]" 1
687 1 70 PRO HD2 1 71 ALA MB . . 5.480 3.797 3.596 3.999 . 0 0 "[ . 1 . 2]" 1
688 1 70 PRO HD3 1 71 ALA H . . 3.920 3.853 3.740 3.931 0.011 13 0 "[ . 1 . 2]" 1
689 1 70 PRO HG3 1 71 ALA H . . 3.820 3.761 3.657 3.843 0.023 14 0 "[ . 1 . 2]" 1
690 1 70 PRO HG3 1 74 GLN HE22 . . 5.500 5.545 5.179 5.834 0.334 19 0 "[ . 1 . 2]" 1
691 1 71 ALA H 1 71 ALA MB . . 2.960 2.095 2.050 2.146 . 0 0 "[ . 1 . 2]" 1
692 1 71 ALA H 1 72 ARG H . . 3.400 2.858 2.751 2.970 . 0 0 "[ . 1 . 2]" 1
693 1 71 ALA H 1 72 ARG HB3 . . 5.500 5.064 4.682 5.317 . 0 0 "[ . 1 . 2]" 1
694 1 71 ALA H 1 74 GLN HB2 . . 5.500 5.144 4.964 5.546 0.046 19 0 "[ . 1 . 2]" 1
695 1 71 ALA HA 1 74 GLN H . . 3.840 3.459 3.284 3.705 . 0 0 "[ . 1 . 2]" 1
696 1 71 ALA HA 1 74 GLN HE21 . . 4.450 3.006 2.690 3.345 . 0 0 "[ . 1 . 2]" 1
697 1 71 ALA HA 1 74 GLN HE22 . . 4.900 4.405 3.810 4.821 . 0 0 "[ . 1 . 2]" 1
698 1 71 ALA HA 1 75 ALA H . . 4.580 4.444 4.279 4.580 . 0 0 "[ . 1 . 2]" 1
699 1 71 ALA MB 1 72 ARG H . . 3.320 2.618 2.408 2.829 . 0 0 "[ . 1 . 2]" 1
700 1 71 ALA MB 1 72 ARG HA . . 4.090 4.015 3.875 4.134 0.044 14 0 "[ . 1 . 2]" 1
701 1 71 ALA MB 1 73 GLY H . . 5.030 4.664 4.535 4.763 . 0 0 "[ . 1 . 2]" 1
702 1 71 ALA MB 1 74 GLN H . . 5.050 4.621 4.534 4.711 . 0 0 "[ . 1 . 2]" 1
703 1 72 ARG H 1 72 ARG HB2 . . 3.340 2.424 1.984 2.649 . 0 0 "[ . 1 . 2]" 1
704 1 72 ARG H 1 72 ARG HB3 . . 3.370 2.514 2.242 2.759 . 0 0 "[ . 1 . 2]" 1
705 1 72 ARG H 1 72 ARG HD2 . . 5.400 5.046 4.695 5.273 . 0 0 "[ . 1 . 2]" 1
706 1 72 ARG H 1 72 ARG QD . . 4.610 4.360 4.101 4.530 . 0 0 "[ . 1 . 2]" 1
707 1 72 ARG H 1 72 ARG HD3 . . 5.400 4.814 4.372 5.629 0.229 17 0 "[ . 1 . 2]" 1
708 1 72 ARG H 1 72 ARG QG . . 3.980 3.950 3.679 4.010 0.030 14 0 "[ . 1 . 2]" 1
709 1 72 ARG H 1 73 GLY H . . 3.680 2.651 2.538 2.760 . 0 0 "[ . 1 . 2]" 1
710 1 72 ARG H 1 74 GLN H . . 4.390 4.068 3.954 4.315 . 0 0 "[ . 1 . 2]" 1
711 1 72 ARG H 1 74 GLN HB2 . . 5.070 5.166 5.080 5.438 0.368 19 0 "[ . 1 . 2]" 1
712 1 72 ARG HA 1 72 ARG HD2 . . 4.700 4.564 3.659 4.762 0.062 19 0 "[ . 1 . 2]" 1
713 1 72 ARG HA 1 72 ARG HD3 . . 4.700 4.406 2.801 4.702 0.002 11 0 "[ . 1 . 2]" 1
714 1 72 ARG HA 1 72 ARG QG . . 3.550 2.500 2.332 2.724 . 0 0 "[ . 1 . 2]" 1
715 1 72 ARG HA 1 75 ALA H . . 4.430 3.377 3.240 3.480 . 0 0 "[ . 1 . 2]" 1
716 1 72 ARG HA 1 75 ALA MB . . 4.080 2.553 2.402 2.708 . 0 0 "[ . 1 . 2]" 1
717 1 72 ARG HB2 1 72 ARG HD2 . . 4.040 2.991 2.620 3.670 . 0 0 "[ . 1 . 2]" 1
718 1 72 ARG HB2 1 72 ARG HD3 . . 4.040 3.315 2.867 3.895 . 0 0 "[ . 1 . 2]" 1
719 1 72 ARG HB2 1 73 GLY H . . 3.670 3.713 3.388 3.894 0.224 19 0 "[ . 1 . 2]" 1
720 1 72 ARG HB3 1 73 GLY H . . 3.460 2.412 2.289 2.588 . 0 0 "[ . 1 . 2]" 1
721 1 72 ARG QD 1 73 GLY H . . 4.310 3.928 3.383 4.331 0.021 17 0 "[ . 1 . 2]" 1
722 1 72 ARG QG 1 73 GLY H . . 4.070 3.739 3.220 4.237 0.167 12 0 "[ . 1 . 2]" 1
723 1 72 ARG QG 1 76 LEU MD2 . . 3.850 2.360 1.889 3.885 0.035 12 0 "[ . 1 . 2]" 1
724 1 73 GLY H 1 74 GLN H . . 3.350 2.864 2.801 2.937 . 0 0 "[ . 1 . 2]" 1
725 1 73 GLY H 1 74 GLN HB2 . . 4.710 4.787 4.743 4.995 0.285 3 0 "[ . 1 . 2]" 1
726 1 73 GLY H 1 74 GLN HE21 . . 5.060 5.004 4.261 5.532 0.472 3 0 "[ . 1 . 2]" 1
727 1 73 GLY H 1 76 LEU H . . 5.130 4.986 4.910 5.039 . 0 0 "[ . 1 . 2]" 1
728 1 73 GLY H 1 76 LEU MD2 . . 3.670 3.732 3.706 3.898 0.228 19 0 "[ . 1 . 2]" 1
729 1 73 GLY H 1 76 LEU HG . . 4.630 4.658 4.569 4.690 0.060 4 0 "[ . 1 . 2]" 1
730 1 73 GLY HA2 1 75 ALA H . . 4.640 4.297 4.168 4.664 0.024 19 0 "[ . 1 . 2]" 1
731 1 73 GLY HA2 1 76 LEU H . . 4.120 3.824 3.680 3.938 . 0 0 "[ . 1 . 2]" 1
732 1 73 GLY HA2 1 76 LEU HB3 . . 4.700 4.685 4.544 4.721 0.021 2 0 "[ . 1 . 2]" 1
733 1 73 GLY HA2 1 76 LEU MD2 . . 3.630 2.107 2.042 2.406 . 0 0 "[ . 1 . 2]" 1
734 1 73 GLY HA2 1 77 ALA MB . . 5.500 4.395 4.201 4.539 . 0 0 "[ . 1 . 2]" 1
735 1 73 GLY HA3 1 75 ALA H . . 4.770 4.648 4.548 4.909 0.139 19 0 "[ . 1 . 2]" 1
736 1 73 GLY HA3 1 76 LEU H . . 5.090 5.071 4.950 5.157 0.067 19 0 "[ . 1 . 2]" 1
737 1 73 GLY HA3 1 76 LEU MD1 . . 3.990 4.035 3.999 4.170 0.180 3 0 "[ . 1 . 2]" 1
738 1 73 GLY HA3 1 76 LEU MD2 . . 4.600 3.564 3.468 3.804 . 0 0 "[ . 1 . 2]" 1
739 1 73 GLY HA3 1 76 LEU HG . . 4.390 3.982 3.912 4.020 . 0 0 "[ . 1 . 2]" 1
740 1 74 GLN H 1 74 GLN HB2 . . 3.140 2.137 2.073 2.309 . 0 0 "[ . 1 . 2]" 1
741 1 74 GLN H 1 74 GLN HB3 . . 3.430 3.419 3.299 3.588 0.158 19 0 "[ . 1 . 2]" 1
742 1 74 GLN H 1 74 GLN HE21 . . 4.470 3.139 2.370 3.430 . 0 0 "[ . 1 . 2]" 1
743 1 74 GLN H 1 74 GLN HE22 . . 4.310 3.886 3.398 4.223 . 0 0 "[ . 1 . 2]" 1
744 1 74 GLN H 1 74 GLN QG . . 4.100 3.776 3.545 3.876 . 0 0 "[ . 1 . 2]" 1
745 1 74 GLN H 1 75 ALA H . . 3.270 2.443 2.362 2.853 . 0 0 "[ . 1 . 2]" 1
746 1 74 GLN H 1 75 ALA MB . . 3.900 4.059 3.983 4.500 0.600 3 2 "[ + . 1 . -2]" 1
747 1 74 GLN H 1 76 LEU H . . 4.250 4.317 4.263 4.622 0.372 3 0 "[ . 1 . 2]" 1
748 1 74 GLN H 1 77 ALA MB . . 5.500 4.580 4.464 4.644 . 0 0 "[ . 1 . 2]" 1
749 1 74 GLN HA 1 74 GLN HE21 . . 4.370 4.220 3.579 4.653 0.283 3 0 "[ . 1 . 2]" 1
750 1 74 GLN HA 1 74 GLN HE22 . . 5.080 4.709 4.398 5.013 . 0 0 "[ . 1 . 2]" 1
751 1 74 GLN HA 1 77 ALA MB . . 3.010 2.411 2.229 2.542 . 0 0 "[ . 1 . 2]" 1
752 1 74 GLN HB2 1 74 GLN HE21 . . 3.660 2.265 1.976 2.558 . 0 0 "[ . 1 . 2]" 1
753 1 74 GLN HB2 1 74 GLN HE22 . . 4.240 3.682 3.623 3.728 . 0 0 "[ . 1 . 2]" 1
754 1 74 GLN HB2 1 75 ALA H . . 3.430 3.196 3.044 3.314 . 0 0 "[ . 1 . 2]" 1
755 1 74 GLN HB3 1 74 GLN HE21 . . 3.980 3.657 3.527 3.812 . 0 0 "[ . 1 . 2]" 1
756 1 74 GLN HB3 1 74 GLN HE22 . . 4.970 4.963 4.927 4.990 0.020 9 0 "[ . 1 . 2]" 1
757 1 74 GLN HB3 1 75 ALA H . . 3.920 3.524 3.400 3.631 . 0 0 "[ . 1 . 2]" 1
758 1 74 GLN HE21 1 75 ALA H . . 5.180 5.125 4.563 5.403 0.223 3 0 "[ . 1 . 2]" 1
759 1 75 ALA H 1 75 ALA MB . . 2.870 2.158 2.027 2.198 . 0 0 "[ . 1 . 2]" 1
760 1 75 ALA H 1 76 LEU H . . 3.200 2.613 2.547 2.904 . 0 0 "[ . 1 . 2]" 1
761 1 75 ALA H 1 76 LEU MD1 . . 5.260 5.264 5.187 5.532 0.272 19 0 "[ . 1 . 2]" 1
762 1 75 ALA H 1 76 LEU MD2 . . 4.190 4.363 4.299 4.865 0.675 19 2 "[ - . 1 . +2]" 1
763 1 75 ALA H 1 76 LEU HG . . 4.210 3.918 3.822 4.301 0.091 19 0 "[ . 1 . 2]" 1
764 1 75 ALA H 1 77 ALA H . . 4.110 3.956 3.846 4.155 0.045 19 0 "[ . 1 . 2]" 1
765 1 75 ALA H 1 77 ALA MB . . 4.560 4.558 4.450 4.701 0.141 19 0 "[ . 1 . 2]" 1
766 1 75 ALA H 1 78 LEU QD . . 5.440 4.564 4.285 4.726 . 0 0 "[ . 1 . 2]" 1
767 1 75 ALA HA 1 78 LEU H . . 4.220 3.752 3.554 3.891 . 0 0 "[ . 1 . 2]" 1
768 1 75 ALA HA 1 78 LEU QB . . 4.430 2.903 2.543 3.147 . 0 0 "[ . 1 . 2]" 1
769 1 75 ALA HA 1 78 LEU QD . . 3.670 3.146 2.747 3.771 0.101 4 0 "[ . 1 . 2]" 1
770 1 75 ALA HA 1 79 MET H . . 4.740 4.231 4.121 4.384 . 0 0 "[ . 1 . 2]" 1
771 1 75 ALA MB 1 76 LEU H . . 3.300 2.483 2.407 2.622 . 0 0 "[ . 1 . 2]" 1
772 1 75 ALA MB 1 76 LEU HG . . 4.650 4.214 4.128 4.427 . 0 0 "[ . 1 . 2]" 1
773 1 76 LEU H 1 76 LEU HB3 . . 3.190 2.633 2.527 2.672 . 0 0 "[ . 1 . 2]" 1
774 1 76 LEU H 1 76 LEU MD1 . . 3.680 3.704 3.686 3.760 0.080 3 0 "[ . 1 . 2]" 1
775 1 76 LEU H 1 76 LEU MD2 . . 3.010 2.890 2.810 3.175 0.165 3 0 "[ . 1 . 2]" 1
776 1 76 LEU H 1 76 LEU HG . . 3.110 2.110 2.075 2.241 . 0 0 "[ . 1 . 2]" 1
777 1 76 LEU H 1 77 ALA H . . 3.210 2.708 2.678 2.747 . 0 0 "[ . 1 . 2]" 1
778 1 76 LEU H 1 77 ALA MB . . 4.720 4.316 4.262 4.392 . 0 0 "[ . 1 . 2]" 1
779 1 76 LEU HA 1 76 LEU MD1 . . 3.770 3.781 3.666 3.810 0.040 7 0 "[ . 1 . 2]" 1
780 1 76 LEU HA 1 79 MET H . . 4.320 3.305 3.174 3.470 . 0 0 "[ . 1 . 2]" 1
781 1 76 LEU HA 1 79 MET HB2 . . 3.910 2.886 2.403 3.174 . 0 0 "[ . 1 . 2]" 1
782 1 76 LEU HA 1 79 MET HB3 . . 4.040 2.696 2.463 3.081 . 0 0 "[ . 1 . 2]" 1
783 1 76 LEU HB2 1 76 LEU MD1 . . 3.040 2.281 2.256 2.367 . 0 0 "[ . 1 . 2]" 1
784 1 76 LEU HB2 1 76 LEU MD2 . . 2.800 2.710 2.618 2.750 . 0 0 "[ . 1 . 2]" 1
785 1 76 LEU HB2 1 77 ALA H . . 4.310 3.935 3.870 4.022 . 0 0 "[ . 1 . 2]" 1
786 1 76 LEU HB3 1 76 LEU MD1 . . 3.530 3.164 3.136 3.241 . 0 0 "[ . 1 . 2]" 1
787 1 76 LEU HB3 1 76 LEU MD2 . . 2.420 2.174 2.150 2.239 . 0 0 "[ . 1 . 2]" 1
788 1 76 LEU MD1 1 77 ALA H . . 3.800 2.716 2.649 2.783 . 0 0 "[ . 1 . 2]" 1
789 1 76 LEU MD1 1 77 ALA HA . . 3.080 3.040 2.903 3.094 0.014 17 0 "[ . 1 . 2]" 1
790 1 76 LEU MD1 1 77 ALA MB . . 3.460 3.087 3.002 3.226 . 0 0 "[ . 1 . 2]" 1
791 1 76 LEU MD1 1 79 MET H . . 5.460 5.291 5.071 5.454 . 0 0 "[ . 1 . 2]" 1
792 1 76 LEU MD2 1 77 ALA H . . 4.000 4.006 3.923 4.058 0.058 19 0 "[ . 1 . 2]" 1
793 1 76 LEU HG 1 77 ALA H . . 3.250 2.323 2.252 2.380 . 0 0 "[ . 1 . 2]" 1
794 1 76 LEU HG 1 77 ALA MB . . 3.690 3.728 3.692 3.823 0.133 19 0 "[ . 1 . 2]" 1
795 1 77 ALA H 1 77 ALA MB . . 2.630 2.197 2.176 2.250 . 0 0 "[ . 1 . 2]" 1
796 1 77 ALA H 1 78 LEU H . . 3.600 2.905 2.832 2.983 . 0 0 "[ . 1 . 2]" 1
797 1 77 ALA HA 1 79 MET H . . 4.350 4.280 4.177 4.363 0.013 16 0 "[ . 1 . 2]" 1
798 1 77 ALA HA 1 80 GLN H . . 3.580 3.599 3.518 3.679 0.099 7 0 "[ . 1 . 2]" 1
799 1 77 ALA HA 1 80 GLN QB . . 3.810 3.226 2.989 3.591 . 0 0 "[ . 1 . 2]" 1
800 1 77 ALA MB 1 78 LEU H . . 3.290 2.279 2.207 2.474 . 0 0 "[ . 1 . 2]" 1
801 1 77 ALA MB 1 78 LEU QD . . 3.800 3.200 2.542 3.779 . 0 0 "[ . 1 . 2]" 1
802 1 77 ALA MB 1 79 MET H . . 4.210 4.321 4.287 4.420 0.210 3 0 "[ . 1 . 2]" 1
803 1 77 ALA MB 1 80 GLN QB . . 5.350 4.528 4.324 4.824 . 0 0 "[ . 1 . 2]" 1
804 1 77 ALA MB 1 81 GLN QB . . 5.500 3.871 3.684 3.969 . 0 0 "[ . 1 . 2]" 1
805 1 77 ALA MB 1 81 GLN HE21 . . 5.500 5.512 5.336 6.084 0.584 19 1 "[ . 1 . +2]" 1
806 1 77 ALA MB 1 81 GLN HE22 . . 5.500 5.568 5.245 6.046 0.546 19 1 "[ . 1 . +2]" 1
807 1 78 LEU H 1 78 LEU QB . . 3.000 2.281 2.127 2.434 . 0 0 "[ . 1 . 2]" 1
808 1 78 LEU H 1 78 LEU MD1 . . 4.020 2.972 2.352 3.539 . 0 0 "[ . 1 . 2]" 1
809 1 78 LEU H 1 78 LEU QD . . 3.440 2.772 2.328 3.195 . 0 0 "[ . 1 . 2]" 1
810 1 78 LEU H 1 78 LEU MD2 . . 4.020 3.607 3.429 3.739 . 0 0 "[ . 1 . 2]" 1
811 1 78 LEU H 1 78 LEU HG . . 4.230 3.224 2.298 4.177 . 0 0 "[ . 1 . 2]" 1
812 1 78 LEU H 1 79 MET H . . 3.400 2.809 2.769 2.862 . 0 0 "[ . 1 . 2]" 1
813 1 78 LEU H 1 81 GLN HE21 . . 4.990 5.117 5.006 5.698 0.708 19 2 "[ - . 1 . +2]" 1
814 1 78 LEU HA 1 78 LEU MD1 . . 3.900 3.084 2.167 3.914 0.014 19 0 "[ . 1 . 2]" 1
815 1 78 LEU HA 1 78 LEU QD . . 3.100 2.220 2.149 2.402 . 0 0 "[ . 1 . 2]" 1
816 1 78 LEU HA 1 78 LEU MD2 . . 3.900 3.001 2.160 3.829 . 0 0 "[ . 1 . 2]" 1
817 1 78 LEU HA 1 78 LEU HG . . 2.980 2.785 2.536 2.999 0.019 10 0 "[ . 1 . 2]" 1
818 1 78 LEU HA 1 81 GLN H . . 3.890 3.574 3.353 3.753 . 0 0 "[ . 1 . 2]" 1
819 1 78 LEU HA 1 81 GLN QB . . 3.430 2.305 2.109 2.511 . 0 0 "[ . 1 . 2]" 1
820 1 78 LEU HA 1 81 GLN HE21 . . 4.560 2.310 2.210 2.852 . 0 0 "[ . 1 . 2]" 1
821 1 78 LEU HA 1 81 GLN HE22 . . 4.160 2.817 2.556 3.058 . 0 0 "[ . 1 . 2]" 1
822 1 78 LEU HA 1 82 TYR H . . 4.020 3.671 3.363 3.984 . 0 0 "[ . 1 . 2]" 1
823 1 78 LEU QB 1 78 LEU QD . . 2.670 1.977 1.938 2.017 . 0 0 "[ . 1 . 2]" 1
824 1 78 LEU QB 1 79 MET H . . 3.150 2.855 2.640 3.059 . 0 0 "[ . 1 . 2]" 1
825 1 78 LEU HB2 1 78 LEU MD1 . . 3.570 2.480 2.265 2.784 . 0 0 "[ . 1 . 2]" 1
826 1 78 LEU HB2 1 78 LEU MD2 . . 3.570 2.775 2.226 3.257 . 0 0 "[ . 1 . 2]" 1
827 1 78 LEU HB2 1 79 MET H . . 3.940 2.993 2.721 3.238 . 0 0 "[ . 1 . 2]" 1
828 1 78 LEU HB3 1 78 LEU MD1 . . 3.570 2.867 2.421 3.286 . 0 0 "[ . 1 . 2]" 1
829 1 78 LEU HB3 1 78 LEU MD2 . . 3.570 2.392 2.342 2.508 . 0 0 "[ . 1 . 2]" 1
830 1 78 LEU HB3 1 79 MET H . . 3.940 3.653 3.396 3.814 . 0 0 "[ . 1 . 2]" 1
831 1 78 LEU QD 1 81 GLN H . . 5.440 4.934 4.694 5.154 . 0 0 "[ . 1 . 2]" 1
832 1 78 LEU QD 1 81 GLN HE21 . . 3.900 3.132 2.807 3.527 . 0 0 "[ . 1 . 2]" 1
833 1 78 LEU QD 1 81 GLN HE22 . . 4.450 2.314 1.869 3.008 . 0 0 "[ . 1 . 2]" 1
834 1 78 LEU MD1 1 79 MET H . . 5.500 4.584 4.447 4.748 . 0 0 "[ . 1 . 2]" 1
835 1 78 LEU MD2 1 79 MET H . . 5.500 4.904 4.781 5.052 . 0 0 "[ . 1 . 2]" 1
836 1 79 MET H 1 79 MET HB2 . . 3.760 2.405 2.135 2.563 . 0 0 "[ . 1 . 2]" 1
837 1 79 MET H 1 79 MET HB3 . . 3.350 2.754 2.609 3.031 . 0 0 "[ . 1 . 2]" 1
838 1 79 MET H 1 79 MET ME . . 5.410 4.647 4.358 5.066 . 0 0 "[ . 1 . 2]" 1
839 1 79 MET H 1 79 MET HG2 . . 4.830 4.483 4.063 4.675 . 0 0 "[ . 1 . 2]" 1
840 1 79 MET H 1 79 MET QG . . 4.240 3.962 3.734 4.125 . 0 0 "[ . 1 . 2]" 1
841 1 79 MET H 1 79 MET HG3 . . 4.830 4.434 4.091 4.611 . 0 0 "[ . 1 . 2]" 1
842 1 79 MET H 1 80 GLN H . . 3.560 2.868 2.772 3.001 . 0 0 "[ . 1 . 2]" 1
843 1 79 MET HA 1 79 MET ME . . 5.500 3.947 2.023 4.561 . 0 0 "[ . 1 . 2]" 1
844 1 79 MET HA 1 81 GLN H . . 5.500 4.638 4.424 4.761 . 0 0 "[ . 1 . 2]" 1
845 1 79 MET HA 1 82 TYR QB . . 4.620 2.894 2.576 4.053 . 0 0 "[ . 1 . 2]" 1
846 1 79 MET HA 1 82 TYR QD . . 4.920 3.682 1.956 4.293 . 0 0 "[ . 1 . 2]" 1
847 1 79 MET HA 1 83 ILE H . . 5.380 4.255 4.066 4.655 . 0 0 "[ . 1 . 2]" 1
848 1 79 MET HB2 1 80 GLN H . . 3.940 3.729 3.380 3.897 . 0 0 "[ . 1 . 2]" 1
849 1 79 MET HB3 1 80 GLN H . . 2.870 2.465 2.234 2.592 . 0 0 "[ . 1 . 2]" 1
850 1 79 MET HB3 1 80 GLN HE21 . . 4.720 3.344 2.968 4.463 . 0 0 "[ . 1 . 2]" 1
851 1 79 MET HB3 1 80 GLN QE . . 3.980 3.183 2.936 3.545 . 0 0 "[ . 1 . 2]" 1
852 1 79 MET HB3 1 80 GLN HE22 . . 4.720 4.615 3.208 4.841 0.121 2 0 "[ . 1 . 2]" 1
853 1 79 MET QG 1 80 GLN H . . 4.780 3.894 3.569 4.351 . 0 0 "[ . 1 . 2]" 1
854 1 79 MET QG 1 80 GLN QE . . 4.860 3.168 2.598 4.214 . 0 0 "[ . 1 . 2]" 1
855 1 79 MET QG 1 83 ILE MD . . 3.500 2.684 2.168 3.870 0.370 3 0 "[ . 1 . 2]" 1
856 1 80 GLN H 1 80 GLN HA . . 2.870 2.894 2.826 2.929 0.059 11 0 "[ . 1 . 2]" 1
857 1 80 GLN H 1 80 GLN QB . . 3.180 2.423 1.968 2.647 . 0 0 "[ . 1 . 2]" 1
858 1 80 GLN H 1 80 GLN QE . . 3.110 3.141 2.961 3.564 0.454 19 0 "[ . 1 . 2]" 1
859 1 80 GLN H 1 80 GLN QG . . 3.540 2.504 2.148 3.865 0.325 16 0 "[ . 1 . 2]" 1
860 1 80 GLN H 1 83 ILE HB . . 5.500 5.110 4.917 5.267 . 0 0 "[ . 1 . 2]" 1
861 1 80 GLN HA 1 80 GLN HE21 . . 4.170 2.253 1.750 2.630 . 0 0 "[ . 1 . 2]" 1
862 1 80 GLN HA 1 80 GLN QE . . 3.340 2.203 1.745 2.495 . 0 0 "[ . 1 . 2]" 1
863 1 80 GLN HA 1 80 GLN HE22 . . 4.170 3.261 3.093 3.580 . 0 0 "[ . 1 . 2]" 1
864 1 80 GLN HA 1 80 GLN QG . . 3.350 2.983 2.554 3.220 . 0 0 "[ . 1 . 2]" 1
865 1 80 GLN HA 1 82 TYR H . . 5.060 4.499 4.250 4.646 . 0 0 "[ . 1 . 2]" 1
866 1 80 GLN HA 1 83 ILE H . . 3.850 3.387 3.172 3.513 . 0 0 "[ . 1 . 2]" 1
867 1 80 GLN HA 1 83 ILE HB . . 3.270 2.520 2.274 2.712 . 0 0 "[ . 1 . 2]" 1
868 1 80 GLN HA 1 83 ILE MD . . 3.100 2.685 2.338 2.880 . 0 0 "[ . 1 . 2]" 1
869 1 80 GLN HA 1 84 ASP H . . 4.360 4.056 3.886 4.343 . 0 0 "[ . 1 . 2]" 1
870 1 80 GLN QB 1 80 GLN HE22 . . 4.510 4.087 3.607 4.356 . 0 0 "[ . 1 . 2]" 1
871 1 80 GLN QE 1 80 GLN QG . . 2.930 2.418 2.195 2.784 . 0 0 "[ . 1 . 2]" 1
872 1 80 GLN QE 1 83 ILE H . . 5.340 4.784 4.327 5.073 . 0 0 "[ . 1 . 2]" 1
873 1 80 GLN QE 1 83 ILE HB . . 3.770 3.639 3.123 3.837 0.067 14 0 "[ . 1 . 2]" 1
874 1 80 GLN QE 1 83 ILE MD . . 3.350 2.239 1.842 2.489 . 0 0 "[ . 1 . 2]" 1
875 1 80 GLN QE 1 83 ILE MG . . 3.930 3.772 3.372 3.965 0.035 18 0 "[ . 1 . 2]" 1
876 1 80 GLN HE21 1 83 ILE HB . . 4.570 3.950 3.252 4.392 . 0 0 "[ . 1 . 2]" 1
877 1 80 GLN HE21 1 83 ILE MD . . 3.860 2.440 1.918 2.925 . 0 0 "[ . 1 . 2]" 1
878 1 80 GLN HE21 1 83 ILE MG . . 4.720 4.464 3.540 4.733 0.013 17 0 "[ . 1 . 2]" 1
879 1 80 GLN HE22 1 80 GLN QG . . 3.600 3.393 3.324 3.530 . 0 0 "[ . 1 . 2]" 1
880 1 80 GLN HE22 1 83 ILE HB . . 4.570 4.373 3.983 4.896 0.326 19 0 "[ . 1 . 2]" 1
881 1 80 GLN HE22 1 83 ILE MD . . 3.860 2.665 2.381 2.999 . 0 0 "[ . 1 . 2]" 1
882 1 80 GLN HE22 1 83 ILE MG . . 4.720 4.166 3.664 4.841 0.121 19 0 "[ . 1 . 2]" 1
883 1 81 GLN H 1 81 GLN QB . . 3.140 2.079 2.041 2.138 . 0 0 "[ . 1 . 2]" 1
884 1 81 GLN H 1 81 GLN HE21 . . 4.780 4.004 3.681 4.445 . 0 0 "[ . 1 . 2]" 1
885 1 81 GLN H 1 81 GLN HE22 . . 5.500 5.454 5.233 5.717 0.217 19 0 "[ . 1 . 2]" 1
886 1 81 GLN H 1 81 GLN HG2 . . 4.690 4.401 4.360 4.446 . 0 0 "[ . 1 . 2]" 1
887 1 81 GLN H 1 81 GLN QG . . 3.990 3.980 3.935 4.001 0.011 4 0 "[ . 1 . 2]" 1
888 1 81 GLN H 1 81 GLN HG3 . . 4.690 4.542 4.473 4.598 . 0 0 "[ . 1 . 2]" 1
889 1 81 GLN H 1 82 TYR H . . 3.510 2.793 2.660 2.944 . 0 0 "[ . 1 . 2]" 1
890 1 81 GLN H 1 82 TYR QB . . 4.440 4.498 4.414 4.926 0.486 19 0 "[ . 1 . 2]" 1
891 1 81 GLN H 1 83 ILE HB . . 5.500 5.111 4.890 5.233 . 0 0 "[ . 1 . 2]" 1
892 1 81 GLN H 1 83 ILE MD . . 5.500 5.402 5.028 5.543 0.043 18 0 "[ . 1 . 2]" 1
893 1 81 GLN HA 1 81 GLN HG2 . . 3.600 2.927 2.756 3.054 . 0 0 "[ . 1 . 2]" 1
894 1 81 GLN HA 1 81 GLN QG . . 3.040 2.694 2.621 2.761 . 0 0 "[ . 1 . 2]" 1
895 1 81 GLN HA 1 81 GLN HG3 . . 3.600 3.160 3.069 3.359 . 0 0 "[ . 1 . 2]" 1
896 1 81 GLN HA 1 84 ASP H . . 4.020 3.402 3.194 3.588 . 0 0 "[ . 1 . 2]" 1
897 1 81 GLN HA 1 84 ASP QB . . 3.410 2.600 2.226 2.998 . 0 0 "[ . 1 . 2]" 1
898 1 81 GLN QB 1 81 GLN HE22 . . 4.380 3.272 3.221 3.386 . 0 0 "[ . 1 . 2]" 1
899 1 81 GLN QB 1 82 TYR H . . 3.960 2.651 2.506 2.961 . 0 0 "[ . 1 . 2]" 1
900 1 81 GLN HE21 1 82 TYR H . . 4.710 2.896 2.476 3.123 . 0 0 "[ . 1 . 2]" 1
901 1 81 GLN HE21 1 82 TYR HA . . 5.270 3.946 3.445 4.126 . 0 0 "[ . 1 . 2]" 1
902 1 81 GLN HE21 1 82 TYR QB . . 5.500 3.416 2.826 3.724 . 0 0 "[ . 1 . 2]" 1
903 1 81 GLN HE21 1 83 ILE H . . 5.500 5.538 5.240 5.693 0.193 2 0 "[ . 1 . 2]" 1
904 1 81 GLN HE22 1 81 GLN QG . . 3.560 3.465 3.387 3.527 . 0 0 "[ . 1 . 2]" 1
905 1 82 TYR H 1 82 TYR QB . . 3.390 2.187 2.130 2.249 . 0 0 "[ . 1 . 2]" 1
906 1 82 TYR H 1 82 TYR QD . . 4.370 4.022 2.810 4.223 . 0 0 "[ . 1 . 2]" 1
907 1 82 TYR H 1 83 ILE H . . 2.820 2.703 2.505 2.804 . 0 0 "[ . 1 . 2]" 1
908 1 82 TYR H 1 83 ILE MD . . 5.500 5.153 4.793 5.295 . 0 0 "[ . 1 . 2]" 1
909 1 82 TYR H 1 83 ILE HG13 . . 5.500 4.638 4.365 4.787 . 0 0 "[ . 1 . 2]" 1
910 1 82 TYR HA 1 82 TYR QD . . 3.780 2.855 2.322 3.548 . 0 0 "[ . 1 . 2]" 1
911 1 82 TYR HA 1 85 TYR H . . 3.930 3.644 3.431 3.828 . 0 0 "[ . 1 . 2]" 1
912 1 82 TYR HA 1 85 TYR QD . . 4.340 3.912 3.349 4.366 0.026 8 0 "[ . 1 . 2]" 1
913 1 82 TYR QB 1 83 ILE H . . 3.770 2.749 2.509 3.563 . 0 0 "[ . 1 . 2]" 1
914 1 82 TYR QD 1 83 ILE H . . 4.230 3.314 2.947 3.741 . 0 0 "[ . 1 . 2]" 1
915 1 82 TYR QE 1 83 ILE H . . 5.500 5.198 4.253 5.579 0.079 15 0 "[ . 1 . 2]" 1
916 1 83 ILE H 1 83 ILE HB . . 3.330 2.368 2.310 2.463 . 0 0 "[ . 1 . 2]" 1
917 1 83 ILE H 1 83 ILE MD . . 3.590 3.457 3.304 3.593 0.003 2 0 "[ . 1 . 2]" 1
918 1 83 ILE H 1 83 ILE HG12 . . 3.920 3.756 3.655 3.843 . 0 0 "[ . 1 . 2]" 1
919 1 83 ILE H 1 83 ILE HG13 . . 3.730 2.393 2.287 2.525 . 0 0 "[ . 1 . 2]" 1
920 1 83 ILE H 1 83 ILE MG . . 3.880 3.783 3.753 3.819 . 0 0 "[ . 1 . 2]" 1
921 1 83 ILE H 1 84 ASP H . . 2.960 2.735 2.540 2.833 . 0 0 "[ . 1 . 2]" 1
922 1 83 ILE HA 1 83 ILE MD . . 4.050 3.835 3.797 3.902 . 0 0 "[ . 1 . 2]" 1
923 1 83 ILE HA 1 83 ILE HG13 . . 4.070 2.702 2.578 2.806 . 0 0 "[ . 1 . 2]" 1
924 1 83 ILE HA 1 83 ILE MG . . 3.420 2.564 2.469 2.632 . 0 0 "[ . 1 . 2]" 1
925 1 83 ILE HA 1 85 TYR H . . 4.900 4.422 3.815 4.905 0.005 10 0 "[ . 1 . 2]" 1
926 1 83 ILE HA 1 86 LYS H . . 4.510 3.305 3.001 3.655 . 0 0 "[ . 1 . 2]" 1
927 1 83 ILE HA 1 86 LYS QB . . 4.460 2.272 2.075 2.669 . 0 0 "[ . 1 . 2]" 1
928 1 83 ILE HA 1 87 LYS H . . 5.500 5.233 4.687 5.597 0.097 10 0 "[ . 1 . 2]" 1
929 1 83 ILE HB 1 83 ILE MD . . 3.210 2.378 2.318 2.446 . 0 0 "[ . 1 . 2]" 1
930 1 83 ILE HB 1 84 ASP H . . 3.500 2.862 2.661 3.146 . 0 0 "[ . 1 . 2]" 1
931 1 83 ILE HB 1 85 TYR H . . 5.500 5.344 5.071 5.570 0.070 3 0 "[ . 1 . 2]" 1
932 1 83 ILE MD 1 83 ILE MG . . 2.400 2.126 2.110 2.153 . 0 0 "[ . 1 . 2]" 1
933 1 83 ILE MD 1 84 ASP H . . 5.500 4.767 4.612 4.998 . 0 0 "[ . 1 . 2]" 1
934 1 83 ILE MD 1 86 LYS QE . . 5.310 4.533 3.902 5.512 0.202 19 0 "[ . 1 . 2]" 1
935 1 83 ILE HG12 1 83 ILE MG . . 3.610 2.369 2.291 2.417 . 0 0 "[ . 1 . 2]" 1
936 1 83 ILE HG13 1 83 ILE MG . . 3.430 3.230 3.204 3.243 . 0 0 "[ . 1 . 2]" 1
937 1 83 ILE HG13 1 84 ASP H . . 4.460 4.559 4.473 4.699 0.239 3 0 "[ . 1 . 2]" 1
938 1 83 ILE MG 1 84 ASP H . . 3.800 3.350 3.141 3.573 . 0 0 "[ . 1 . 2]" 1
939 1 83 ILE MG 1 86 LYS H . . 5.500 4.536 4.206 5.001 . 0 0 "[ . 1 . 2]" 1
940 1 84 ASP H 1 84 ASP HB2 . . 3.400 2.374 2.196 2.644 . 0 0 "[ . 1 . 2]" 1
941 1 84 ASP H 1 84 ASP HB3 . . 3.400 2.643 2.293 3.529 0.129 4 0 "[ . 1 . 2]" 1
942 1 84 ASP H 1 85 TYR H . . 3.440 2.823 2.635 2.998 . 0 0 "[ . 1 . 2]" 1
943 1 84 ASP H 1 86 LYS QB . . 4.900 4.657 4.479 4.888 . 0 0 "[ . 1 . 2]" 1
944 1 84 ASP QB 1 85 TYR H . . 3.380 2.594 2.154 3.009 . 0 0 "[ . 1 . 2]" 1
945 1 84 ASP HB2 1 85 TYR H . . 3.970 3.795 2.781 4.100 0.130 18 0 "[ . 1 . 2]" 1
946 1 84 ASP HB3 1 85 TYR H . . 3.970 2.684 2.171 3.602 . 0 0 "[ . 1 . 2]" 1
947 1 85 TYR H 1 85 TYR QB . . 2.780 2.565 2.418 2.876 0.096 3 0 "[ . 1 . 2]" 1
948 1 85 TYR H 1 85 TYR QD . . 3.600 3.184 2.604 3.484 . 0 0 "[ . 1 . 2]" 1
949 1 85 TYR H 1 85 TYR QE . . 4.970 4.631 4.254 4.966 . 0 0 "[ . 1 . 2]" 1
950 1 85 TYR H 1 86 LYS H . . 2.660 2.591 2.288 2.875 0.215 19 0 "[ . 1 . 2]" 1
951 1 85 TYR HA 1 85 TYR QD . . 3.500 2.485 2.162 3.771 0.271 3 0 "[ . 1 . 2]" 1
952 1 85 TYR HA 1 86 LYS H . . 3.510 3.264 3.171 3.375 . 0 0 "[ . 1 . 2]" 1
953 1 85 TYR QB 1 86 LYS H . . 3.810 3.594 3.310 4.073 0.263 3 0 "[ . 1 . 2]" 1
954 1 85 TYR QD 1 86 LYS H . . 5.500 4.609 3.498 4.916 . 0 0 "[ . 1 . 2]" 1
955 1 86 LYS H 1 86 LYS HB2 . . 3.160 2.506 2.245 2.774 . 0 0 "[ . 1 . 2]" 1
956 1 86 LYS H 1 86 LYS HB3 . . 3.160 2.528 2.299 3.021 . 0 0 "[ . 1 . 2]" 1
957 1 86 LYS H 1 86 LYS QD . . 5.200 4.733 4.539 4.987 . 0 0 "[ . 1 . 2]" 1
958 1 86 LYS H 1 86 LYS HE2 . . 5.350 4.783 3.484 5.404 0.054 13 0 "[ . 1 . 2]" 1
959 1 86 LYS H 1 86 LYS QE . . 4.680 4.204 3.434 4.483 . 0 0 "[ . 1 . 2]" 1
960 1 86 LYS H 1 86 LYS HE3 . . 5.350 4.883 4.169 5.406 0.056 18 0 "[ . 1 . 2]" 1
961 1 86 LYS H 1 86 LYS QG . . 4.070 3.998 3.804 4.103 0.033 15 0 "[ . 1 . 2]" 1
962 1 86 LYS H 1 87 LYS H . . 3.060 2.764 2.407 3.049 . 0 0 "[ . 1 . 2]" 1
963 1 86 LYS HA 1 86 LYS QD . . 4.030 3.801 2.518 4.130 0.100 3 0 "[ . 1 . 2]" 1
964 1 86 LYS HA 1 86 LYS HE2 . . 5.350 4.658 2.645 5.411 0.061 4 0 "[ . 1 . 2]" 1
965 1 86 LYS HA 1 86 LYS QE . . 4.600 4.120 2.609 4.551 . 0 0 "[ . 1 . 2]" 1
966 1 86 LYS HA 1 86 LYS HE3 . . 5.350 4.740 3.174 5.228 . 0 0 "[ . 1 . 2]" 1
967 1 86 LYS HA 1 86 LYS QG . . 3.580 2.521 2.193 3.185 . 0 0 "[ . 1 . 2]" 1
968 1 86 LYS QB 1 86 LYS QD . . 3.170 2.508 2.356 2.962 . 0 0 "[ . 1 . 2]" 1
969 1 86 LYS QB 1 86 LYS QE . . 3.960 2.128 1.947 2.389 . 0 0 "[ . 1 . 2]" 1
970 1 86 LYS QB 1 87 LYS H . . 3.980 2.843 2.431 3.234 . 0 0 "[ . 1 . 2]" 1
971 1 86 LYS HB2 1 86 LYS QD . . 3.720 2.815 2.427 3.594 . 0 0 "[ . 1 . 2]" 1
972 1 86 LYS HB2 1 86 LYS HE2 . . 5.500 3.028 2.109 3.808 . 0 0 "[ . 1 . 2]" 1
973 1 86 LYS HB2 1 86 LYS HE3 . . 5.500 3.339 2.347 3.833 . 0 0 "[ . 1 . 2]" 1
974 1 86 LYS HB3 1 86 LYS QD . . 3.720 3.054 2.459 3.598 . 0 0 "[ . 1 . 2]" 1
975 1 86 LYS HB3 1 86 LYS HE2 . . 5.500 2.997 2.253 4.256 . 0 0 "[ . 1 . 2]" 1
976 1 86 LYS HB3 1 86 LYS HE3 . . 5.500 2.791 1.989 4.902 . 0 0 "[ . 1 . 2]" 1
977 1 87 LYS H 1 87 LYS QB . . 3.170 2.751 2.382 3.289 0.119 9 0 "[ . 1 . 2]" 1
978 1 87 LYS H 1 87 LYS QD . . 4.630 3.980 2.866 4.690 0.060 9 0 "[ . 1 . 2]" 1
979 1 87 LYS H 1 87 LYS QE . . 4.640 4.278 3.120 4.756 0.116 1 0 "[ . 1 . 2]" 1
980 1 87 LYS H 1 87 LYS QG . . 2.810 2.470 1.925 2.870 0.060 6 0 "[ . 1 . 2]" 1
981 1 87 LYS HA 1 87 LYS QD . . 4.280 3.711 2.258 4.405 0.125 18 0 "[ . 1 . 2]" 1
982 1 87 LYS HA 1 87 LYS QE . . 5.020 4.319 2.226 5.200 0.180 12 0 "[ . 1 . 2]" 1
983 1 87 LYS HA 1 87 LYS HG2 . . 3.900 3.326 2.476 4.119 0.219 10 0 "[ . 1 . 2]" 1
984 1 87 LYS HA 1 87 LYS QG . . 3.420 3.043 2.351 3.435 0.015 14 0 "[ . 1 . 2]" 1
985 1 87 LYS HA 1 87 LYS HG3 . . 3.900 3.608 2.825 4.120 0.220 14 0 "[ . 1 . 2]" 1
986 1 87 LYS QB 1 87 LYS QD . . 3.070 2.375 2.070 2.941 . 0 0 "[ . 1 . 2]" 1
987 1 87 LYS QB 1 87 LYS QE . . 4.270 2.807 1.985 3.766 . 0 0 "[ . 1 . 2]" 1
988 1 87 LYS QB 1 88 GLU H . . 3.730 2.885 2.107 3.433 . 0 0 "[ . 1 . 2]" 1
989 1 87 LYS QB 1 88 GLU QB . . 4.880 4.584 3.215 4.981 0.101 20 0 "[ . 1 . 2]" 1
990 1 87 LYS QB 1 89 LEU H . . 4.260 3.529 2.348 4.431 0.171 10 0 "[ . 1 . 2]" 1
991 1 87 LYS QE 1 87 LYS HG2 . . 3.870 2.766 2.093 3.595 . 0 0 "[ . 1 . 2]" 1
992 1 87 LYS QE 1 87 LYS QG . . 3.350 2.286 1.988 2.865 . 0 0 "[ . 1 . 2]" 1
993 1 87 LYS QE 1 87 LYS HG3 . . 3.870 2.696 2.054 3.512 . 0 0 "[ . 1 . 2]" 1
994 1 88 GLU H 1 88 GLU QG . . 4.340 3.029 1.941 4.178 . 0 0 "[ . 1 . 2]" 1
995 1 88 GLU H 1 89 LEU H . . 4.000 3.404 2.565 4.054 0.054 13 0 "[ . 1 . 2]" 1
996 1 88 GLU HA 1 88 GLU HG2 . . 4.070 3.238 2.317 3.998 . 0 0 "[ . 1 . 2]" 1
997 1 88 GLU HA 1 88 GLU QG . . 3.560 2.751 2.175 3.407 . 0 0 "[ . 1 . 2]" 1
998 1 88 GLU HA 1 88 GLU HG3 . . 4.070 3.130 2.271 3.945 . 0 0 "[ . 1 . 2]" 1
999 1 88 GLU HA 1 89 LEU H . . 3.090 2.590 2.179 3.076 . 0 0 "[ . 1 . 2]" 1
1000 1 88 GLU QB 1 88 GLU QG . . 2.330 2.107 2.027 2.131 . 0 0 "[ . 1 . 2]" 1
1001 1 88 GLU QB 1 89 LEU H . . 4.290 3.968 3.681 4.074 . 0 0 "[ . 1 . 2]" 1
1002 1 88 GLU HB2 1 89 LEU H . . 5.160 4.471 3.948 4.674 . 0 0 "[ . 1 . 2]" 1
1003 1 88 GLU HB3 1 89 LEU H . . 5.160 4.455 4.194 4.638 . 0 0 "[ . 1 . 2]" 1
1004 1 88 GLU HG2 1 89 LEU H . . 5.500 4.670 3.651 5.434 . 0 0 "[ . 1 . 2]" 1
1005 1 88 GLU HG3 1 89 LEU H . . 5.500 4.738 3.889 5.605 0.105 9 0 "[ . 1 . 2]" 1
1006 1 89 LEU H 1 89 LEU QB . . 3.650 3.333 3.193 3.469 . 0 0 "[ . 1 . 2]" 1
1007 1 89 LEU H 1 89 LEU MD1 . . 4.620 3.688 2.134 4.401 . 0 0 "[ . 1 . 2]" 1
1008 1 89 LEU H 1 89 LEU QD . . 3.650 2.655 2.129 3.313 . 0 0 "[ . 1 . 2]" 1
1009 1 89 LEU H 1 89 LEU MD2 . . 4.620 3.346 2.519 4.628 0.008 12 0 "[ . 1 . 2]" 1
1010 1 89 LEU H 1 89 LEU HG . . 3.880 2.986 2.594 3.766 . 0 0 "[ . 1 . 2]" 1
1011 1 89 LEU HA 1 89 LEU MD1 . . 4.600 3.627 2.828 3.984 . 0 0 "[ . 1 . 2]" 1
1012 1 89 LEU HA 1 89 LEU QD . . 3.170 2.409 2.128 3.080 . 0 0 "[ . 1 . 2]" 1
1013 1 89 LEU HA 1 89 LEU MD2 . . 4.600 2.662 2.138 3.786 . 0 0 "[ . 1 . 2]" 1
1014 1 89 LEU HA 1 89 LEU HG . . 3.690 2.931 2.334 3.298 . 0 0 "[ . 1 . 2]" 1
1015 1 89 LEU QB 1 89 LEU MD1 . . 3.260 2.173 2.071 2.388 . 0 0 "[ . 1 . 2]" 1
1016 1 89 LEU QB 1 89 LEU QD . . 2.460 1.954 1.927 1.983 . 0 0 "[ . 1 . 2]" 1
1017 1 89 LEU QB 1 89 LEU MD2 . . 3.260 2.259 2.072 2.400 . 0 0 "[ . 1 . 2]" 1
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